NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
559260 | 2lw6 | 18607 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 19 HT1 SER 19 21.012 -0.455 -3.121 2 H2 SER 19 HT2 SER 19 19.535 -1.105 -3.630 3 H3 SER 19 HT3 SER 19 19.683 -0.466 -2.069 4 HA SER 19 HA SER 19 20.129 1.731 -3.044 5 HB2 SER 19 HB2 SER 19 19.447 1.967 -5.471 6 HB3 SER 19 HB1 SER 19 20.950 1.082 -5.211 7 HG SER 19 HG SER 19 18.949 0.253 -6.604 8 H PHE 20 HN PHE 20 18.002 2.645 -4.688 9 HA PHE 20 HA PHE 20 15.799 2.725 -3.030 10 HB2 PHE 20 HB2 PHE 20 15.606 2.860 -6.038 11 HB3 PHE 20 HB1 PHE 20 14.569 3.647 -4.860 12 HD1 PHE 20 HD1 PHE 20 15.499 5.523 -3.490 13 HD2 PHE 20 HD2 PHE 20 17.547 3.901 -6.845 14 HE1 PHE 20 HE1 PHE 20 16.874 7.558 -3.626 15 HE2 PHE 20 HE2 PHE 20 18.932 5.930 -6.986 16 HZ PHE 20 HZ PHE 20 18.597 7.764 -5.374 17 H VAL 21 HN VAL 21 14.093 1.457 -2.670 18 HA VAL 21 HA VAL 21 14.116 -1.162 -4.018 19 HB VAL 21 HB VAL 21 12.986 -0.601 -1.279 20 HG11 VAL 21 HG11 VAL 21 13.769 -3.136 -2.705 21 HG12 VAL 21 HG12 VAL 21 12.143 -2.622 -2.255 22 HG13 VAL 21 HG13 VAL 21 13.311 -3.050 -1.005 23 HG21 VAL 21 HG21 VAL 21 15.034 -1.395 -0.298 24 HG22 VAL 21 HG22 VAL 21 15.401 -0.037 -1.366 25 HG23 VAL 21 HG23 VAL 21 15.726 -1.688 -1.894 26 H GLN 22 HN GLN 22 12.361 -1.753 -5.123 27 HA GLN 22 HA GLN 22 9.883 -0.241 -4.815 28 HB2 GLN 22 HB2 GLN 22 9.114 -1.599 -6.766 29 HB3 GLN 22 HB1 GLN 22 10.544 -0.634 -7.101 30 HG2 GLN 22 HG2 GLN 22 11.515 -2.468 -7.867 31 HG3 GLN 22 HG1 GLN 22 11.521 -3.091 -6.219 32 HE21 GLN 22 HE21 GLN 22 8.557 -3.204 -6.197 33 HE22 GLN 22 HE22 GLN 22 8.148 -4.599 -7.126 34 H CYS 23 HN CYS 23 7.954 -1.193 -4.072 35 HA CYS 23 HA CYS 23 8.063 -3.931 -3.099 36 HB2 CYS 23 HB2 CYS 23 7.904 -1.554 -1.236 37 HB3 CYS 23 HB1 CYS 23 7.545 -3.210 -0.756 38 HG CYS 23 HG CYS 23 10.463 -3.259 -2.176 39 H ASN 24 HN ASN 24 6.060 -4.826 -2.704 40 HA ASN 24 HA ASN 24 3.785 -3.428 -3.758 41 HB2 ASN 24 HB2 ASN 24 2.588 -5.557 -2.804 42 HB3 ASN 24 HB1 ASN 24 3.630 -5.700 -4.214 43 HD21 ASN 24 HD21 ASN 24 5.581 -6.744 -4.038 44 HD22 ASN 24 HD22 ASN 24 6.008 -7.713 -2.671 45 H HIS 25 HN HIS 25 2.822 -1.897 -2.641 46 HA HIS 25 HA HIS 25 3.031 -1.740 0.228 47 HB2 HIS 25 HB2 HIS 25 1.416 -0.104 -1.735 48 HB3 HIS 25 HB1 HIS 25 1.556 0.254 -0.024 49 HD1 HIS 25 HD1 HIS 25 4.665 -0.821 -1.770 50 HD2 HIS 25 HD2 HIS 25 2.762 2.721 -0.729 51 HE1 HIS 25 HE1 HIS 25 6.387 0.979 -2.072 52 HE2 HIS 25 HE2 HIS 25 5.132 3.129 -1.680 53 H HIS 26 HN HIS 26 1.831 -2.936 1.517 54 HA HIS 26 HA HIS 26 -0.571 -4.222 0.532 55 HB2 HIS 26 HB2 HIS 26 1.023 -4.454 3.067 56 HB3 HIS 26 HB1 HIS 26 -0.574 -5.174 2.938 57 HD1 HIS 26 HD1 HIS 26 -0.142 -7.603 2.787 58 HD2 HIS 26 HD2 HIS 26 2.387 -5.411 0.314 59 HE1 HIS 26 HE1 HIS 26 1.173 -9.303 1.474 60 HE2 HIS 26 HE2 HIS 26 2.849 -7.951 0.172 61 H LEU 27 HN LEU 27 -2.583 -3.589 0.892 62 HA LEU 27 HA LEU 27 -3.076 -1.531 2.923 63 HB2 LEU 27 HB2 LEU 27 -3.945 -1.414 0.470 64 HB3 LEU 27 HB1 LEU 27 -5.121 -2.614 0.988 65 HG LEU 27 HG LEU 27 -6.055 -0.337 1.006 66 HD11 LEU 27 HD11 LEU 27 -7.036 -0.360 3.194 67 HD12 LEU 27 HD12 LEU 27 -5.726 -1.374 3.809 68 HD13 LEU 27 HD13 LEU 27 -6.868 -2.024 2.623 69 HD21 LEU 27 HD21 LEU 27 -4.043 0.924 1.465 70 HD22 LEU 27 HD22 LEU 27 -3.945 0.226 3.078 71 HD23 LEU 27 HD23 LEU 27 -5.282 1.296 2.663 72 H LEU 28 HN LEU 28 -4.035 -2.047 4.782 73 HA LEU 28 HA LEU 28 -4.735 -4.854 5.182 74 HB2 LEU 28 HB2 LEU 28 -3.207 -3.049 6.652 75 HB3 LEU 28 HB1 LEU 28 -4.699 -3.204 7.563 76 HG LEU 28 HG LEU 28 -3.044 -4.785 8.373 77 HD11 LEU 28 HD11 LEU 28 -4.323 -6.871 8.143 78 HD12 LEU 28 HD12 LEU 28 -5.271 -6.128 6.852 79 HD13 LEU 28 HD13 LEU 28 -5.355 -5.485 8.492 80 HD21 LEU 28 HD21 LEU 28 -1.654 -5.073 6.470 81 HD22 LEU 28 HD22 LEU 28 -2.991 -5.710 5.513 82 HD23 LEU 28 HD23 LEU 28 -2.336 -6.655 6.852 83 H TYR 29 HN TYR 29 -6.731 -5.440 5.307 84 HA TYR 29 HA TYR 29 -8.847 -3.463 5.786 85 HB2 TYR 29 HB2 TYR 29 -8.799 -5.059 3.739 86 HB3 TYR 29 HB1 TYR 29 -9.224 -6.321 4.886 87 HD1 TYR 29 HD1 TYR 29 -10.559 -2.929 5.307 88 HD2 TYR 29 HD2 TYR 29 -11.280 -6.801 3.693 89 HE1 TYR 29 HE1 TYR 29 -12.929 -2.348 4.987 90 HE2 TYR 29 HE2 TYR 29 -13.650 -6.233 3.375 91 HH TYR 29 HH TYR 29 -15.315 -4.694 4.204 92 H ASN 30 HN ASN 30 -10.504 -4.013 7.335 93 HA ASN 30 HA ASN 30 -9.596 -4.698 9.821 94 HB2 ASN 30 HB2 ASN 30 -12.387 -4.991 8.700 95 HB3 ASN 30 HB1 ASN 30 -12.002 -5.124 10.411 96 HD21 ASN 30 HD21 ASN 30 -11.538 -3.313 11.577 97 HD22 ASN 30 HD22 ASN 30 -11.755 -1.712 10.956 98 H GLY 31 HN GLY 31 -8.381 -6.525 10.012 99 HA2 GLY 31 HA2 GLY 31 -8.577 -8.653 11.082 100 HA3 GLY 31 HA1 GLY 31 -9.966 -8.997 10.069 101 H ARG 32 HN ARG 32 -8.137 -7.844 7.727 102 HA ARG 32 HA ARG 32 -6.272 -10.003 7.410 103 HB2 ARG 32 HB2 ARG 32 -8.726 -10.911 7.097 104 HB3 ARG 32 HB1 ARG 32 -8.558 -10.198 5.499 105 HG2 ARG 32 HG2 ARG 32 -7.988 -12.538 5.426 106 HG3 ARG 32 HG1 ARG 32 -6.549 -11.560 5.120 107 HD2 ARG 32 HD2 ARG 32 -5.792 -11.884 7.385 108 HD3 ARG 32 HD1 ARG 32 -7.283 -12.728 7.801 109 HE ARG 32 HE ARG 32 -6.119 -14.109 5.679 110 HH11 ARG 32 HH11 ARG 32 -5.327 -13.290 8.983 111 HH12 ARG 32 HH12 ARG 32 -4.439 -14.749 9.285 112 HH21 ARG 32 HH21 ARG 32 -4.931 -16.054 6.052 113 HH22 ARG 32 HH22 ARG 32 -4.199 -16.314 7.611 114 H HIS 33 HN HIS 33 -5.095 -9.967 5.496 115 HA HIS 33 HA HIS 33 -4.452 -7.680 4.162 116 HB2 HIS 33 HB2 HIS 33 -3.016 -9.484 3.874 117 HB3 HIS 33 HB1 HIS 33 -4.319 -10.594 3.486 118 HD1 HIS 33 HD1 HIS 33 -4.830 -10.994 1.076 119 HD2 HIS 33 HD2 HIS 33 -2.216 -7.803 1.636 120 HE1 HIS 33 HE1 HIS 33 -3.981 -10.402 -1.215 121 HE2 HIS 33 HE2 HIS 33 -2.257 -8.613 -0.827 122 H TRP 34 HN TRP 34 -5.574 -6.337 2.919 123 HA TRP 34 HA TRP 34 -8.005 -7.224 1.598 124 HB2 TRP 34 HB2 TRP 34 -7.952 -5.066 2.804 125 HB3 TRP 34 HB1 TRP 34 -6.709 -4.490 1.698 126 HD1 TRP 34 HD1 TRP 34 -10.442 -5.412 1.760 127 HE1 TRP 34 HE1 TRP 34 -11.598 -4.241 -0.214 128 HE3 TRP 34 HE3 TRP 34 -6.326 -3.456 -0.546 129 HZ2 TRP 34 HZ2 TRP 34 -10.863 -2.686 -2.458 130 HZ3 TRP 34 HZ3 TRP 34 -6.636 -2.138 -2.598 131 HH2 TRP 34 HH2 TRP 34 -8.860 -1.763 -3.534 132 H GLY 35 HN GLY 35 -5.032 -5.514 0.630 133 HA2 GLY 35 HA2 GLY 35 -4.693 -7.032 -1.748 134 HA3 GLY 35 HA1 GLY 35 -5.455 -5.487 -2.103 135 H THR 36 HN THR 36 -3.236 -5.553 -3.350 136 HA THR 36 HA THR 36 -1.513 -3.774 -1.881 137 HB THR 36 HB THR 36 -0.738 -6.092 -1.237 138 HG1 THR 36 HG1 THR 36 0.588 -3.971 -1.633 139 HG21 THR 36 HG21 THR 36 0.138 -6.155 -4.122 140 HG22 THR 36 HG22 THR 36 -1.040 -7.224 -3.363 141 HG23 THR 36 HG23 THR 36 0.656 -7.289 -2.877 142 H ILE 37 HN ILE 37 -0.258 -2.493 -3.205 143 HA ILE 37 HA ILE 37 -0.254 -3.112 -6.078 144 HB ILE 37 HB ILE 37 -0.374 -0.334 -4.863 145 HG12 ILE 37 HG12 ILE 37 -2.542 -0.250 -6.292 146 HG13 ILE 37 HG11 ILE 37 -2.465 -2.010 -6.233 147 HG21 ILE 37 HG21 ILE 37 -0.290 -1.203 -7.744 148 HG22 ILE 37 HG22 ILE 37 0.987 -0.373 -6.856 149 HG23 ILE 37 HG23 ILE 37 -0.537 0.451 -7.183 150 HD11 ILE 37 HD11 ILE 37 -2.565 -1.940 -3.805 151 HD12 ILE 37 HD12 ILE 37 -3.944 -1.109 -4.521 152 HD13 ILE 37 HD13 ILE 37 -2.606 -0.179 -3.849 153 H ARG 38 HN ARG 38 1.787 -3.299 -6.918 154 HA ARG 38 HA ARG 38 4.009 -2.804 -5.169 155 HB2 ARG 38 HB2 ARG 38 3.774 -3.946 -7.924 156 HB3 ARG 38 HB1 ARG 38 5.350 -3.437 -7.322 157 HG2 ARG 38 HG2 ARG 38 4.696 -4.851 -5.242 158 HG3 ARG 38 HG1 ARG 38 3.569 -5.625 -6.359 159 HD2 ARG 38 HD2 ARG 38 6.536 -5.369 -6.823 160 HD3 ARG 38 HD1 ARG 38 5.761 -6.796 -6.139 161 HE ARG 38 HE ARG 38 4.840 -5.877 -8.753 162 HH11 ARG 38 HH11 ARG 38 6.599 -8.257 -6.863 163 HH12 ARG 38 HH12 ARG 38 6.860 -9.305 -8.223 164 HH21 ARG 38 HH21 ARG 38 5.155 -7.291 -10.514 165 HH22 ARG 38 HH22 ARG 38 6.011 -8.788 -10.278 166 H LYS 39 HN LYS 39 5.101 -1.084 -4.936 167 HA LYS 39 HA LYS 39 5.418 0.872 -7.071 168 HB2 LYS 39 HB2 LYS 39 3.311 1.487 -5.878 169 HB3 LYS 39 HB1 LYS 39 4.225 1.596 -4.382 170 HG2 LYS 39 HG2 LYS 39 3.893 3.802 -5.220 171 HG3 LYS 39 HG1 LYS 39 5.597 3.394 -5.422 172 HD2 LYS 39 HD2 LYS 39 4.803 4.499 -7.413 173 HD3 LYS 39 HD1 LYS 39 5.133 2.805 -7.783 174 HE2 LYS 39 HE2 LYS 39 2.747 2.299 -7.562 175 HE3 LYS 39 HE1 LYS 39 2.423 3.993 -7.198 176 HZ1 LYS 39 HZ1 LYS 39 3.223 4.589 -9.392 177 HZ2 LYS 39 HZ2 LYS 39 1.970 3.461 -9.513 178 HZ3 LYS 39 HZ3 LYS 39 3.572 2.967 -9.741 179 H LYS 40 HN LYS 40 7.221 2.253 -6.697 180 HA LYS 40 HA LYS 40 9.274 1.114 -5.099 181 HB2 LYS 40 HB2 LYS 40 9.200 3.824 -6.434 182 HB3 LYS 40 HB1 LYS 40 10.635 3.006 -5.832 183 HG2 LYS 40 HG2 LYS 40 10.217 1.187 -7.460 184 HG3 LYS 40 HG1 LYS 40 8.889 2.141 -8.123 185 HD2 LYS 40 HD2 LYS 40 10.892 2.469 -9.448 186 HD3 LYS 40 HD1 LYS 40 10.470 3.965 -8.609 187 HE2 LYS 40 HE2 LYS 40 12.156 3.535 -6.927 188 HE3 LYS 40 HE1 LYS 40 12.526 1.974 -7.656 189 HZ1 LYS 40 HZ1 LYS 40 13.150 3.242 -9.702 190 HZ2 LYS 40 HZ2 LYS 40 14.173 3.477 -8.373 191 HZ3 LYS 40 HZ3 LYS 40 13.035 4.667 -8.786 192 H ALA 41 HN ALA 41 10.402 2.089 -3.357 193 HA ALA 41 HA ALA 41 8.796 3.204 -1.334 194 HB1 ALA 41 HB1 ALA 41 10.866 3.469 -0.087 195 HB2 ALA 41 HB2 ALA 41 11.804 3.211 -1.557 196 HB3 ALA 41 HB3 ALA 41 10.830 1.900 -0.891 197 H GLY 42 HN GLY 42 8.600 5.289 -0.566 198 HA2 GLY 42 HA2 GLY 42 8.939 7.601 -0.502 199 HA3 GLY 42 HA1 GLY 42 10.026 7.454 -1.875 200 H TRP 43 HN TRP 43 8.178 5.966 -3.513 201 HA TRP 43 HA TRP 43 6.665 8.168 -4.560 202 HB2 TRP 43 HB2 TRP 43 6.907 5.279 -5.406 203 HB3 TRP 43 HB1 TRP 43 5.926 6.462 -6.264 204 HD1 TRP 43 HD1 TRP 43 9.582 5.550 -5.569 205 HE1 TRP 43 HE1 TRP 43 11.074 6.765 -7.283 206 HE3 TRP 43 HE3 TRP 43 6.037 8.511 -7.764 207 HZ2 TRP 43 HZ2 TRP 43 10.777 8.728 -9.291 208 HZ3 TRP 43 HZ3 TRP 43 6.725 10.032 -9.569 209 HH2 TRP 43 HH2 TRP 43 9.044 10.137 -10.316 210 H ALA 44 HN ALA 44 4.575 8.596 -4.325 211 HA ALA 44 HA ALA 44 3.049 7.282 -2.332 212 HB1 ALA 44 HB1 ALA 44 2.837 9.676 -2.819 213 HB2 ALA 44 HB2 ALA 44 1.289 8.843 -2.939 214 HB3 ALA 44 HB3 ALA 44 2.161 9.288 -4.402 215 H VAL 45 HN VAL 45 1.347 5.884 -2.521 216 HA VAL 45 HA VAL 45 0.685 4.909 -5.224 217 HB VAL 45 HB VAL 45 2.094 3.326 -3.816 218 HG11 VAL 45 HG11 VAL 45 -0.459 3.082 -2.240 219 HG12 VAL 45 HG12 VAL 45 1.059 3.771 -1.659 220 HG13 VAL 45 HG13 VAL 45 0.965 2.056 -2.071 221 HG21 VAL 45 HG21 VAL 45 0.825 1.350 -4.442 222 HG22 VAL 45 HG22 VAL 45 0.780 2.562 -5.724 223 HG23 VAL 45 HG23 VAL 45 -0.620 2.336 -4.673 224 H ARG 46 HN ARG 46 -1.530 3.987 -5.368 225 HA ARG 46 HA ARG 46 -3.312 5.602 -3.697 226 HB2 ARG 46 HB2 ARG 46 -4.834 5.693 -5.452 227 HB3 ARG 46 HB1 ARG 46 -3.286 5.762 -6.272 228 HG2 ARG 46 HG2 ARG 46 -4.938 3.261 -5.972 229 HG3 ARG 46 HG1 ARG 46 -4.981 4.323 -7.376 230 HD2 ARG 46 HD2 ARG 46 -2.561 3.897 -7.717 231 HD3 ARG 46 HD1 ARG 46 -2.600 2.762 -6.365 232 HE ARG 46 HE ARG 46 -4.540 1.824 -7.985 233 HH11 ARG 46 HH11 ARG 46 -1.199 2.714 -8.604 234 HH12 ARG 46 HH12 ARG 46 -1.000 1.529 -9.861 235 HH21 ARG 46 HH21 ARG 46 -4.263 0.275 -9.628 236 HH22 ARG 46 HH22 ARG 46 -2.726 0.143 -10.439 237 H PHE 47 HN PHE 47 -4.794 4.744 -2.373 238 HA PHE 47 HA PHE 47 -5.532 1.920 -2.762 239 HB2 PHE 47 HB2 PHE 47 -5.161 3.366 -0.124 240 HB3 PHE 47 HB1 PHE 47 -5.859 1.761 -0.298 241 HD1 PHE 47 HD2 PHE 47 -4.319 0.078 -1.668 242 HD2 PHE 47 HD1 PHE 47 -2.950 3.511 0.438 243 HE1 PHE 47 HE2 PHE 47 -2.083 -0.930 -1.485 244 HE2 PHE 47 HE1 PHE 47 -0.714 2.507 0.623 245 HZ PHE 47 HZ PHE 47 -0.279 0.285 -0.333 246 H TYR 48 HN TYR 48 -7.705 1.542 -2.784 247 HA TYR 48 HA TYR 48 -9.565 3.595 -1.916 248 HB2 TYR 48 HB2 TYR 48 -10.662 3.682 -4.171 249 HB3 TYR 48 HB1 TYR 48 -9.067 4.426 -4.114 250 HD1 TYR 48 HD2 TYR 48 -10.975 1.512 -5.318 251 HD2 TYR 48 HD1 TYR 48 -7.242 3.541 -5.385 252 HE1 TYR 48 HE2 TYR 48 -10.253 0.109 -7.205 253 HE2 TYR 48 HE1 TYR 48 -6.509 2.142 -7.267 254 HH TYR 48 HH TYR 48 -7.018 -0.027 -8.259 255 H GLU 49 HN GLU 49 -11.726 2.882 -1.828 256 HA GLU 49 HA GLU 49 -11.985 -0.039 -1.858 257 HB2 GLU 49 HB2 GLU 49 -13.936 0.254 -0.418 258 HB3 GLU 49 HB1 GLU 49 -12.546 1.077 0.277 259 HG2 GLU 49 HG2 GLU 49 -13.405 3.210 -0.604 260 HG3 GLU 49 HG1 GLU 49 -14.813 2.354 -1.229 261 H GLU 50 HN GLU 50 -13.121 -0.976 -3.410 262 HA GLU 50 HA GLU 50 -15.027 0.684 -4.897 263 HB2 GLU 50 HB2 GLU 50 -14.682 -0.911 -6.806 264 HB3 GLU 50 HB1 GLU 50 -13.287 0.080 -6.412 265 HG2 GLU 50 HG2 GLU 50 -12.273 -1.808 -5.244 266 HG3 GLU 50 HG1 GLU 50 -13.686 -2.794 -5.618 267 H LYS 51 HN LYS 51 -16.912 0.293 -4.012 268 HA LYS 51 HA LYS 51 -17.667 -2.412 -3.213 269 HB2 LYS 51 HB2 LYS 51 -19.236 0.168 -2.976 270 HB3 LYS 51 HB1 LYS 51 -19.611 -1.360 -2.193 271 HG2 LYS 51 HG2 LYS 51 -17.087 0.193 -1.665 272 HG3 LYS 51 HG1 LYS 51 -18.570 0.385 -0.729 273 HD2 LYS 51 HD2 LYS 51 -18.475 -1.983 -0.106 274 HD3 LYS 51 HD1 LYS 51 -16.993 -2.171 -1.051 275 HE2 LYS 51 HE2 LYS 51 -15.838 -0.605 0.371 276 HE3 LYS 51 HE1 LYS 51 -17.320 -0.256 1.254 277 HZ1 LYS 51 HZ1 LYS 51 -17.331 -2.579 2.010 278 HZ2 LYS 51 HZ2 LYS 51 -15.955 -1.735 2.520 279 HZ3 LYS 51 HZ3 LYS 51 -15.847 -2.833 1.236 280 HA PRO 52 HA PRO 52 -19.496 -3.272 -7.150 281 HB2 PRO 52 HB2 PRO 52 -21.465 -4.823 -5.544 282 HB3 PRO 52 HB1 PRO 52 -20.473 -5.337 -6.914 283 HG2 PRO 52 HG2 PRO 52 -19.852 -6.086 -4.428 284 HG3 PRO 52 HG1 PRO 52 -18.587 -5.666 -5.600 285 HD2 PRO 52 HD2 PRO 52 -19.643 -4.088 -3.298 286 HD3 PRO 52 HD1 PRO 52 -17.990 -4.192 -3.937 287 H GLY 53 HN GLY 53 -20.629 -1.727 -8.120 288 HA2 GLY 53 HA2 GLY 53 -22.780 -0.893 -8.781 289 HA3 GLY 53 HA1 GLY 53 -23.356 -1.166 -7.144 290 H GLN 54 HN GLN 54 -20.532 0.047 -6.464 291 HA GLN 54 HA GLN 54 -21.331 2.871 -6.750 292 HB2 GLN 54 HB2 GLN 54 -19.855 1.563 -4.453 293 HB3 GLN 54 HB1 GLN 54 -20.257 3.273 -4.576 294 HG2 GLN 54 HG2 GLN 54 -22.638 2.711 -4.556 295 HG3 GLN 54 HG1 GLN 54 -22.221 1.001 -4.421 296 HE21 GLN 54 HE21 GLN 54 -21.569 0.188 -2.468 297 HE22 GLN 54 HE22 GLN 54 -21.625 1.094 -0.996 298 HA PRO 55 HA PRO 55 -17.274 3.550 -8.500 299 HB2 PRO 55 HB2 PRO 55 -16.854 6.121 -7.816 300 HB3 PRO 55 HB1 PRO 55 -18.021 5.661 -9.059 301 HG2 PRO 55 HG2 PRO 55 -18.493 6.369 -6.188 302 HG3 PRO 55 HG1 PRO 55 -19.407 6.866 -7.625 303 HD2 PRO 55 HD2 PRO 55 -20.221 4.871 -5.976 304 HD3 PRO 55 HD1 PRO 55 -20.582 4.888 -7.714 305 H LYS 56 HN LYS 56 -15.068 3.846 -7.881 306 HA LYS 56 HA LYS 56 -14.564 2.885 -5.244 307 HB2 LYS 56 HB2 LYS 56 -12.206 2.883 -5.857 308 HB3 LYS 56 HB1 LYS 56 -13.182 2.138 -7.110 309 HG2 LYS 56 HG2 LYS 56 -12.347 5.008 -7.293 310 HG3 LYS 56 HG1 LYS 56 -11.278 3.700 -7.807 311 HD2 LYS 56 HD2 LYS 56 -13.111 2.910 -9.312 312 HD3 LYS 56 HD1 LYS 56 -14.020 4.360 -8.877 313 HE2 LYS 56 HE2 LYS 56 -11.303 4.301 -10.191 314 HE3 LYS 56 HE1 LYS 56 -12.833 4.639 -10.999 315 HZ1 LYS 56 HZ1 LYS 56 -11.615 6.267 -8.833 316 HZ2 LYS 56 HZ2 LYS 56 -13.101 6.589 -9.587 317 HZ3 LYS 56 HZ3 LYS 56 -11.661 6.673 -10.476 318 H ARG 57 HN ARG 57 -13.657 3.860 -3.528 319 HA ARG 57 HA ARG 57 -13.452 6.802 -3.646 320 HB2 ARG 57 HB2 ARG 57 -15.408 6.092 -2.359 321 HB3 ARG 57 HB1 ARG 57 -14.408 5.024 -1.387 322 HG2 ARG 57 HG2 ARG 57 -14.887 6.971 -0.106 323 HG3 ARG 57 HG1 ARG 57 -13.184 7.027 -0.564 324 HD2 ARG 57 HD2 ARG 57 -13.779 8.537 -2.428 325 HD3 ARG 57 HD1 ARG 57 -15.450 8.528 -1.867 326 HE ARG 57 HE ARG 57 -13.416 9.363 0.049 327 HH11 ARG 57 HH11 ARG 57 -15.900 10.282 -2.245 328 HH12 ARG 57 HH12 ARG 57 -16.078 11.886 -1.601 329 HH21 ARG 57 HH21 ARG 57 -13.659 11.464 0.914 330 HH22 ARG 57 HH22 ARG 57 -14.828 12.551 0.223 331 H LEU 58 HN LEU 58 -11.532 7.639 -3.032 332 HA LEU 58 HA LEU 58 -9.314 6.024 -2.477 333 HB2 LEU 58 HB2 LEU 58 -9.884 8.931 -2.354 334 HB3 LEU 58 HB1 LEU 58 -8.481 8.360 -1.477 335 HG LEU 58 HG LEU 58 -7.782 9.119 -3.645 336 HD11 LEU 58 HD11 LEU 58 -7.789 6.121 -3.807 337 HD12 LEU 58 HD12 LEU 58 -6.825 6.999 -2.623 338 HD13 LEU 58 HD13 LEU 58 -6.546 7.250 -4.351 339 HD21 LEU 58 HD21 LEU 58 -9.787 7.169 -4.772 340 HD22 LEU 58 HD22 LEU 58 -8.616 8.097 -5.710 341 HD23 LEU 58 HD23 LEU 58 -9.896 8.928 -4.826 342 H VAL 59 HN VAL 59 -8.650 5.048 -0.705 343 HA VAL 59 HA VAL 59 -9.983 5.771 1.821 344 HB VAL 59 HB VAL 59 -9.633 3.505 2.597 345 HG11 VAL 59 HG11 VAL 59 -10.880 3.557 -0.140 346 HG12 VAL 59 HG12 VAL 59 -11.671 3.991 1.374 347 HG13 VAL 59 HG13 VAL 59 -11.151 2.329 1.097 348 HG21 VAL 59 HG21 VAL 59 -8.721 1.756 1.189 349 HG22 VAL 59 HG22 VAL 59 -7.533 3.042 1.402 350 HG23 VAL 59 HG23 VAL 59 -8.437 2.917 -0.108 351 H ALA 60 HN ALA 60 -6.986 5.506 0.201 352 HA ALA 60 HA ALA 60 -5.669 6.856 2.309 353 HB1 ALA 60 HB1 ALA 60 -4.862 3.991 1.843 354 HB2 ALA 60 HB2 ALA 60 -5.600 4.660 3.294 355 HB3 ALA 60 HB3 ALA 60 -3.980 5.161 2.828 356 H ILE 61 HN ILE 61 -4.141 8.038 1.480 357 HA ILE 61 HA ILE 61 -2.807 7.128 -0.983 358 HB ILE 61 HB ILE 61 -2.802 9.912 0.224 359 HG12 ILE 61 HG12 ILE 61 -3.933 10.357 -2.108 360 HG13 ILE 61 HG11 ILE 61 -4.352 8.651 -2.016 361 HG21 ILE 61 HG21 ILE 61 -1.708 9.040 -2.443 362 HG22 ILE 61 HG22 ILE 61 -0.722 9.154 -0.988 363 HG23 ILE 61 HG23 ILE 61 -1.497 10.600 -1.641 364 HD11 ILE 61 HD11 ILE 61 -5.159 10.842 -0.126 365 HD12 ILE 61 HD12 ILE 61 -5.429 9.129 0.180 366 HD13 ILE 61 HD13 ILE 61 -6.195 9.905 -1.206 367 H CYS 62 HN CYS 62 -0.902 6.147 -0.591 368 HA CYS 62 HA CYS 62 0.430 6.795 1.945 369 HB2 CYS 62 HB2 CYS 62 -1.138 4.745 2.016 370 HB3 CYS 62 HB1 CYS 62 0.090 3.941 1.039 371 H LYS 63 HN LYS 63 2.616 6.579 1.985 372 HA LYS 63 HA LYS 63 3.964 5.323 -0.266 373 HB2 LYS 63 HB2 LYS 63 5.401 7.221 -0.693 374 HB3 LYS 63 HB1 LYS 63 3.727 7.714 -0.873 375 HG2 LYS 63 HG2 LYS 63 3.797 8.732 1.359 376 HG3 LYS 63 HG1 LYS 63 5.497 8.273 1.495 377 HD2 LYS 63 HD2 LYS 63 5.616 10.476 0.747 378 HD3 LYS 63 HD1 LYS 63 5.778 9.533 -0.738 379 HE2 LYS 63 HE2 LYS 63 3.383 9.830 -1.177 380 HE3 LYS 63 HE1 LYS 63 3.249 10.814 0.280 381 HZ1 LYS 63 HZ1 LYS 63 4.921 12.335 -0.738 382 HZ2 LYS 63 HZ2 LYS 63 3.444 12.271 -1.564 383 HZ3 LYS 63 HZ3 LYS 63 4.790 11.448 -2.179 384 H ASN 64 HN ASN 64 6.312 5.074 0.209 385 HA ASN 64 HA ASN 64 6.521 4.122 2.918 386 HB2 ASN 64 HB2 ASN 64 7.344 2.722 1.106 387 HB3 ASN 64 HB1 ASN 64 8.474 3.979 0.613 388 HD21 ASN 64 HD21 ASN 64 10.374 4.228 1.696 389 HD22 ASN 64 HD22 ASN 64 10.915 3.119 2.921 390 H ALA 65 HN ALA 65 7.907 4.804 4.487 391 HA ALA 65 HA ALA 65 8.318 7.431 4.960 392 HB1 ALA 65 HB1 ALA 65 10.233 5.281 5.849 393 HB2 ALA 65 HB2 ALA 65 8.665 5.596 6.588 394 HB3 ALA 65 HB3 ALA 65 9.926 6.826 6.643 395 H SER 66 HN SER 66 10.971 5.336 3.860 396 HA SER 66 HA SER 66 12.490 7.676 3.038 397 HB2 SER 66 HB2 SER 66 13.697 5.960 4.274 398 HB3 SER 66 HB1 SER 66 13.197 4.727 3.119 399 HG SER 66 HG SER 66 15.093 6.797 2.832 400 HA PRO 67 HA PRO 67 11.408 7.003 -1.261 401 HB2 PRO 67 HB2 PRO 67 13.098 8.785 -2.354 402 HB3 PRO 67 HB1 PRO 67 11.652 9.292 -1.474 403 HG2 PRO 67 HG2 PRO 67 14.498 9.213 -0.558 404 HG3 PRO 67 HG1 PRO 67 13.262 10.451 -0.269 405 HD2 PRO 67 HD2 PRO 67 13.957 8.518 1.554 406 HD3 PRO 67 HD1 PRO 67 12.373 9.316 1.509 407 H VAL 68 HN VAL 68 14.197 6.158 0.343 408 HA VAL 68 HA VAL 68 15.492 5.071 -2.062 409 HB VAL 68 HB VAL 68 16.687 5.156 0.699 410 HG11 VAL 68 HG11 VAL 68 18.114 5.093 -1.933 411 HG12 VAL 68 HG12 VAL 68 17.516 3.622 -1.173 412 HG13 VAL 68 HG13 VAL 68 18.707 4.622 -0.337 413 HG21 VAL 68 HG21 VAL 68 17.916 7.155 0.004 414 HG22 VAL 68 HG22 VAL 68 16.176 7.449 0.033 415 HG23 VAL 68 HG23 VAL 68 17.004 7.193 -1.503 416 H HIS 69 HN HIS 69 15.351 4.019 1.334 417 HA HIS 69 HA HIS 69 15.022 1.277 0.347 418 HB2 HIS 69 HB2 HIS 69 15.615 2.198 3.170 419 HB3 HIS 69 HB1 HIS 69 15.684 0.549 2.572 420 HD1 HIS 69 HD1 HIS 69 17.947 2.791 3.711 421 HD2 HIS 69 HD2 HIS 69 17.637 0.845 0.047 422 HE1 HIS 69 HE1 HIS 69 20.256 2.826 2.731 423 HE2 HIS 69 HE2 HIS 69 20.088 1.415 0.651 424 H CYS 70 HN CYS 70 13.540 -0.137 1.666 425 HA CYS 70 HA CYS 70 11.038 1.319 2.109 426 HB2 CYS 70 HB2 CYS 70 11.024 -0.533 0.465 427 HB3 CYS 70 HB1 CYS 70 11.507 -1.651 1.734 428 HG CYS 70 HG CYS 70 9.023 -2.356 1.899 429 H ASN 71 HN ASN 71 10.053 1.401 4.025 430 HA ASN 71 HA ASN 71 11.165 -0.149 6.267 431 HB2 ASN 71 HB2 ASN 71 10.596 2.830 6.294 432 HB3 ASN 71 HB1 ASN 71 11.007 1.874 7.710 433 HD21 ASN 71 HD21 ASN 71 12.312 4.184 6.490 434 HD22 ASN 71 HD22 ASN 71 13.945 3.697 6.171 435 H TYR 72 HN TYR 72 8.873 2.499 6.277 436 HA TYR 72 HA TYR 72 6.669 0.653 6.863 437 HB2 TYR 72 HB2 TYR 72 6.962 3.295 8.280 438 HB3 TYR 72 HB1 TYR 72 5.953 1.922 8.719 439 HD1 TYR 72 HD1 TYR 72 7.295 -0.279 9.280 440 HD2 TYR 72 HD2 TYR 72 8.920 3.642 9.454 441 HE1 TYR 72 HE1 TYR 72 9.047 -1.084 10.808 442 HE2 TYR 72 HE2 TYR 72 10.676 2.855 10.985 443 HH TYR 72 HH TYR 72 11.214 -0.511 11.579 444 H LEU 73 HN LEU 73 4.542 1.800 6.644 445 HA LEU 73 HA LEU 73 4.677 3.510 4.264 446 HB2 LEU 73 HB2 LEU 73 2.548 1.646 5.292 447 HB3 LEU 73 HB1 LEU 73 2.246 2.806 4.014 448 HG LEU 73 HG LEU 73 4.132 0.461 3.941 449 HD11 LEU 73 HD11 LEU 73 2.697 -0.173 2.006 450 HD12 LEU 73 HD12 LEU 73 1.622 1.166 2.425 451 HD13 LEU 73 HD13 LEU 73 1.856 -0.168 3.556 452 HD21 LEU 73 HD21 LEU 73 5.270 2.238 2.844 453 HD22 LEU 73 HD22 LEU 73 3.802 2.750 2.015 454 HD23 LEU 73 HD23 LEU 73 4.567 1.219 1.587 455 H LYS 74 HN LYS 74 4.175 5.558 4.449 456 HA LYS 74 HA LYS 74 2.572 6.441 6.753 457 HB2 LYS 74 HB2 LYS 74 4.584 7.839 5.007 458 HB3 LYS 74 HB1 LYS 74 3.402 8.767 5.915 459 HG2 LYS 74 HG2 LYS 74 5.441 8.680 7.160 460 HG3 LYS 74 HG1 LYS 74 4.233 7.704 7.996 461 HD2 LYS 74 HD2 LYS 74 5.213 5.687 6.915 462 HD3 LYS 74 HD1 LYS 74 6.486 6.713 6.253 463 HE2 LYS 74 HE2 LYS 74 7.286 5.643 8.256 464 HE3 LYS 74 HE1 LYS 74 7.104 7.371 8.548 465 HZ1 LYS 74 HZ1 LYS 74 5.131 5.294 9.351 466 HZ2 LYS 74 HZ2 LYS 74 5.035 6.952 9.693 467 HZ3 LYS 74 HZ3 LYS 74 6.266 6.013 10.385 468 H CYS 75 HN CYS 75 0.503 6.453 6.266 469 HA CYS 75 HA CYS 75 -0.306 7.277 3.561 470 HB2 CYS 75 HB2 CYS 75 -2.171 5.871 5.415 471 HB3 CYS 75 HB1 CYS 75 -2.058 5.781 3.662 472 H THR 76 HN THR 76 -1.934 8.764 3.297 473 HA THR 76 HA THR 76 -2.912 10.089 5.735 474 HB THR 76 HB THR 76 -1.233 11.481 4.500 475 HG1 THR 76 HG1 THR 76 -2.641 12.652 5.704 476 HG21 THR 76 HG21 THR 76 -3.356 11.515 2.348 477 HG22 THR 76 HG22 THR 76 -1.758 10.784 2.218 478 HG23 THR 76 HG23 THR 76 -1.915 12.533 2.383 479 H ASN 77 HN ASN 77 -5.010 11.132 5.487 480 HA ASN 77 HA ASN 77 -7.224 11.042 5.028 481 HB2 ASN 77 HB2 ASN 77 -6.124 10.566 2.263 482 HB3 ASN 77 HB1 ASN 77 -7.855 10.634 2.571 483 HD21 ASN 77 HD21 ASN 77 -4.898 12.425 2.416 484 HD22 ASN 77 HD22 ASN 77 -5.604 13.999 2.492 485 H LEU 78 HN LEU 78 -6.585 8.941 6.367 486 HA LEU 78 HA LEU 78 -7.055 6.438 5.086 487 HB2 LEU 78 HB2 LEU 78 -7.105 7.191 8.011 488 HB3 LEU 78 HB1 LEU 78 -7.132 5.550 7.392 489 HG LEU 78 HG LEU 78 -4.869 7.520 7.057 490 HD11 LEU 78 HD11 LEU 78 -3.655 6.025 8.558 491 HD12 LEU 78 HD12 LEU 78 -5.106 5.038 8.755 492 HD13 LEU 78 HD13 LEU 78 -5.082 6.702 9.342 493 HD21 LEU 78 HD21 LEU 78 -4.950 6.083 5.148 494 HD22 LEU 78 HD22 LEU 78 -5.199 4.665 6.163 495 HD23 LEU 78 HD23 LEU 78 -3.655 5.516 6.202 496 H ALA 79 HN ALA 79 -8.871 5.094 5.240 497 HA ALA 79 HA ALA 79 -11.364 6.544 5.808 498 HB1 ALA 79 HB1 ALA 79 -12.477 4.930 4.352 499 HB2 ALA 79 HB2 ALA 79 -10.948 4.088 4.106 500 HB3 ALA 79 HB3 ALA 79 -11.150 5.736 3.516 501 H ALA 80 HN ALA 80 -10.670 6.043 8.077 502 HA ALA 80 HA ALA 80 -11.149 5.060 10.053 503 HB1 ALA 80 HB1 ALA 80 -13.139 3.739 10.266 504 HB2 ALA 80 HB2 ALA 80 -13.167 3.433 8.529 505 HB3 ALA 80 HB3 ALA 80 -13.441 5.063 9.141 506 H GLY 81 HN GLY 81 -12.036 2.108 8.389 507 HA2 GLY 81 HA2 GLY 81 -10.007 0.693 9.915 508 HA3 GLY 81 HA1 GLY 81 -11.277 -0.031 8.939 509 H PHE 82 HN PHE 82 -10.382 1.950 6.768 510 HA PHE 82 HA PHE 82 -8.569 0.118 5.488 511 HB2 PHE 82 HB2 PHE 82 -9.750 2.747 4.614 512 HB3 PHE 82 HB1 PHE 82 -8.643 1.810 3.622 513 HD1 PHE 82 HD2 PHE 82 -9.332 -0.303 2.642 514 HD2 PHE 82 HD1 PHE 82 -12.017 2.064 4.940 515 HE1 PHE 82 HE2 PHE 82 -11.226 -1.590 1.742 516 HE2 PHE 82 HE1 PHE 82 -13.919 0.787 4.038 517 HZ PHE 82 HZ PHE 82 -13.525 -1.043 2.441 518 H SER 83 HN SER 83 -6.545 0.120 6.132 519 HA SER 83 HA SER 83 -4.980 2.542 5.789 520 HB2 SER 83 HB2 SER 83 -4.812 0.939 8.355 521 HB3 SER 83 HB1 SER 83 -3.879 2.377 7.950 522 HG SER 83 HG SER 83 -6.437 2.989 7.652 523 H ALA 84 HN ALA 84 -2.601 1.950 5.874 524 HA ALA 84 HA ALA 84 -2.345 -0.621 4.492 525 HB1 ALA 84 HB1 ALA 84 -0.302 0.281 3.524 526 HB2 ALA 84 HB2 ALA 84 -0.451 1.730 4.515 527 HB3 ALA 84 HB3 ALA 84 -1.646 1.394 3.263 528 H GLY 85 HN GLY 85 -0.228 -1.794 4.856 529 HA2 GLY 85 HA2 GLY 85 0.305 -1.717 7.764 530 HA3 GLY 85 HA1 GLY 85 -0.050 -3.215 6.925 531 H THR 86 HN THR 86 1.546 -3.432 4.868 532 HA THR 86 HA THR 86 4.266 -2.769 5.524 533 HB THR 86 HB THR 86 3.773 -4.495 7.223 534 HG1 THR 86 HG1 THR 86 5.451 -6.092 6.294 535 HG21 THR 86 HG21 THR 86 2.047 -5.729 5.996 536 HG22 THR 86 HG22 THR 86 3.325 -6.801 6.568 537 HG23 THR 86 HG23 THR 86 3.271 -6.322 4.872 538 H SER 87 HN SER 87 5.552 -4.872 4.223 539 HA SER 87 HA SER 87 4.288 -5.147 1.612 540 HB2 SER 87 HB2 SER 87 5.655 -3.037 1.585 541 HB3 SER 87 HB1 SER 87 7.083 -4.027 1.891 542 HG SER 87 HG SER 87 5.310 -4.388 -0.294 543 H THR 88 HN THR 88 5.150 -6.864 0.365 544 HA THR 88 HA THR 88 7.078 -8.626 1.700 545 HB THR 88 HB THR 88 5.618 -10.580 1.314 546 HG1 THR 88 HG1 THR 88 3.932 -10.298 0.099 547 HG21 THR 88 HG21 THR 88 4.520 -8.411 3.089 548 HG22 THR 88 HG22 THR 88 5.636 -9.702 3.533 549 HG23 THR 88 HG23 THR 88 3.961 -10.081 3.127 550 H ASP 89 HN ASP 89 6.478 -10.812 -0.111 551 HA ASP 89 HA ASP 89 6.913 -11.652 -2.151 552 HB2 ASP 89 HB2 ASP 89 5.003 -10.600 -2.986 553 HB3 ASP 89 HB1 ASP 89 5.739 -9.002 -2.921 554 H VAL 90 HN VAL 90 7.863 -8.291 -2.890 555 HA VAL 90 HA VAL 90 10.124 -9.220 -4.316 556 HB VAL 90 HB VAL 90 10.766 -6.674 -4.181 557 HG11 VAL 90 HG11 VAL 90 9.335 -6.245 -6.086 558 HG12 VAL 90 HG12 VAL 90 8.288 -7.589 -5.638 559 HG13 VAL 90 HG13 VAL 90 9.940 -7.901 -6.168 560 HG21 VAL 90 HG21 VAL 90 9.017 -6.327 -2.346 561 HG22 VAL 90 HG22 VAL 90 7.816 -6.467 -3.639 562 HG23 VAL 90 HG23 VAL 90 9.021 -5.180 -3.684 563 H LEU 91 HN LEU 91 9.725 -7.727 -1.134 564 HA LEU 91 HA LEU 91 12.567 -8.007 -0.620 565 HB2 LEU 91 HB2 LEU 91 12.098 -6.897 1.511 566 HB3 LEU 91 HB1 LEU 91 11.522 -5.980 0.135 567 HG LEU 91 HG LEU 91 9.244 -7.234 0.747 568 HD11 LEU 91 HD11 LEU 91 10.700 -7.020 3.380 569 HD12 LEU 91 HD12 LEU 91 10.136 -8.502 2.607 570 HD13 LEU 91 HD13 LEU 91 8.971 -7.314 3.191 571 HD21 LEU 91 HD21 LEU 91 8.608 -5.230 1.995 572 HD22 LEU 91 HD22 LEU 91 9.533 -4.838 0.546 573 HD23 LEU 91 HD23 LEU 91 10.308 -4.780 2.130 574 H SER 92 HN SER 92 9.572 -9.588 0.230 575 HA SER 92 HA SER 92 10.863 -11.097 2.369 576 HB2 SER 92 HB2 SER 92 8.600 -10.007 2.648 577 HB3 SER 92 HB1 SER 92 7.965 -11.196 1.516 578 HG SER 92 HG SER 92 8.653 -12.833 2.982 579 H SER 93 HN SER 93 9.368 -11.598 -0.782 580 HA SER 93 HA SER 93 9.342 -13.317 -2.237 581 HB2 SER 93 HB2 SER 93 11.795 -13.348 -1.802 582 HB3 SER 93 HB1 SER 93 11.523 -14.544 -0.535 583 HG SER 93 HG SER 93 10.832 -16.007 -2.061 584 H GLY 94 HN GLY 94 7.576 -14.500 -2.289 585 HA2 GLY 94 HA2 GLY 94 6.400 -16.505 -1.969 586 HA3 GLY 94 HA1 GLY 94 7.420 -16.857 -0.583 587 H THR 95 HN THR 95 4.946 -14.506 -1.598 588 HA THR 95 HA THR 95 3.584 -14.915 0.961 589 HB THR 95 HB THR 95 3.253 -12.374 1.071 590 HG1 THR 95 HG1 THR 95 4.837 -12.576 -1.091 591 HG21 THR 95 HG21 THR 95 6.020 -13.447 1.615 592 HG22 THR 95 HG22 THR 95 4.630 -13.660 2.674 593 HG23 THR 95 HG23 THR 95 5.272 -12.045 2.378 594 H VAL 96 HN VAL 96 1.362 -14.101 0.934 595 HA VAL 96 HA VAL 96 0.174 -14.186 -1.701 596 HB VAL 96 HB VAL 96 -2.002 -13.863 -0.452 597 HG11 VAL 96 HG11 VAL 96 -1.988 -16.147 0.475 598 HG12 VAL 96 HG12 VAL 96 -0.231 -16.181 0.313 599 HG13 VAL 96 HG13 VAL 96 -1.248 -16.056 -1.123 600 HG21 VAL 96 HG21 VAL 96 -0.218 -14.197 1.964 601 HG22 VAL 96 HG22 VAL 96 -1.981 -14.221 1.973 602 HG23 VAL 96 HG23 VAL 96 -1.123 -12.744 1.536 603 H GLY 97 HN GLY 97 1.182 -12.319 -2.562 604 HA2 GLY 97 HA2 GLY 97 0.359 -9.743 -1.432 605 HA3 GLY 97 HA1 GLY 97 1.610 -9.988 -2.642 606 H SER 98 HN SER 98 1.002 -10.384 -4.803 607 HA SER 98 HA SER 98 -1.788 -9.816 -5.476 608 HB2 SER 98 HB2 SER 98 -0.954 -8.299 -7.311 609 HB3 SER 98 HB1 SER 98 -0.684 -7.677 -5.682 610 HG SER 98 HG SER 98 1.275 -9.172 -7.071 Start of MODEL 2 1 H1 SER 19 HT1 SER 19 19.476 0.123 -1.291 2 H2 SER 19 HT2 SER 19 20.253 1.630 -1.165 3 H3 SER 19 HT3 SER 19 21.058 0.313 -1.861 4 HA SER 19 HA SER 19 20.147 2.030 -3.428 5 HB2 SER 19 HB2 SER 19 19.298 -0.865 -3.720 6 HB3 SER 19 HB1 SER 19 19.413 0.304 -5.036 7 HG SER 19 HG SER 19 21.696 0.538 -4.295 8 H PHE 20 HN PHE 20 18.104 1.947 -4.929 9 HA PHE 20 HA PHE 20 15.793 2.588 -3.313 10 HB2 PHE 20 HB2 PHE 20 16.154 2.525 -6.321 11 HB3 PHE 20 HB1 PHE 20 14.717 3.104 -5.494 12 HD1 PHE 20 HD2 PHE 20 18.262 3.791 -6.178 13 HD2 PHE 20 HD1 PHE 20 14.637 5.271 -4.515 14 HE1 PHE 20 HE2 PHE 20 19.241 6.046 -6.064 15 HE2 PHE 20 HE1 PHE 20 15.604 7.529 -4.411 16 HZ PHE 20 HZ PHE 20 17.912 7.919 -5.179 17 H VAL 21 HN VAL 21 13.888 1.451 -3.260 18 HA VAL 21 HA VAL 21 13.991 -1.253 -4.386 19 HB VAL 21 HB VAL 21 14.769 -1.558 -2.170 20 HG11 VAL 21 HG11 VAL 21 12.409 0.011 -1.166 21 HG12 VAL 21 HG12 VAL 21 14.026 0.676 -1.399 22 HG13 VAL 21 HG13 VAL 21 13.768 -0.615 -0.224 23 HG21 VAL 21 HG21 VAL 21 12.943 -3.116 -2.922 24 HG22 VAL 21 HG22 VAL 21 11.819 -2.135 -1.976 25 HG23 VAL 21 HG23 VAL 21 13.140 -2.979 -1.174 26 H GLN 22 HN GLN 22 12.098 -2.102 -5.060 27 HA GLN 22 HA GLN 22 9.684 -0.460 -4.696 28 HB2 GLN 22 HB2 GLN 22 8.895 -1.325 -6.820 29 HB3 GLN 22 HB1 GLN 22 10.501 -0.647 -7.036 30 HG2 GLN 22 HG2 GLN 22 10.782 -2.560 -8.208 31 HG3 GLN 22 HG1 GLN 22 11.201 -3.179 -6.611 32 HE21 GLN 22 HE21 GLN 22 7.969 -2.341 -7.636 33 HE22 GLN 22 HE22 GLN 22 7.342 -3.951 -7.606 34 H CYS 23 HN CYS 23 7.745 -1.526 -4.120 35 HA CYS 23 HA CYS 23 7.835 -4.378 -3.597 36 HB2 CYS 23 HB2 CYS 23 7.282 -4.067 -1.183 37 HB3 CYS 23 HB1 CYS 23 8.915 -3.571 -1.609 38 HG CYS 23 HG CYS 23 7.257 -1.919 0.296 39 H ASN 24 HN ASN 24 5.801 -5.275 -2.994 40 HA ASN 24 HA ASN 24 3.532 -3.804 -3.977 41 HB2 ASN 24 HB2 ASN 24 2.311 -5.924 -3.025 42 HB3 ASN 24 HB1 ASN 24 3.271 -6.049 -4.492 43 HD21 ASN 24 HD21 ASN 24 5.087 -7.262 -4.502 44 HD22 ASN 24 HD22 ASN 24 5.580 -8.264 -3.181 45 H HIS 25 HN HIS 25 2.585 -2.342 -2.830 46 HA HIS 25 HA HIS 25 2.849 -2.257 0.046 47 HB2 HIS 25 HB2 HIS 25 1.496 -0.444 -1.946 48 HB3 HIS 25 HB1 HIS 25 1.450 -0.163 -0.216 49 HD1 HIS 25 HD1 HIS 25 4.412 -1.044 -2.471 50 HD2 HIS 25 HD2 HIS 25 3.147 1.870 0.210 51 HE1 HIS 25 HE1 HIS 25 6.349 0.535 -2.218 52 HE2 HIS 25 HE2 HIS 25 5.621 2.179 -0.472 53 H HIS 26 HN HIS 26 1.544 -3.330 1.298 54 HA HIS 26 HA HIS 26 -0.945 -4.404 0.294 55 HB2 HIS 26 HB2 HIS 26 0.675 -4.799 2.784 56 HB3 HIS 26 HB1 HIS 26 -1.003 -5.326 2.740 57 HD1 HIS 26 HD1 HIS 26 -0.503 -7.809 2.834 58 HD2 HIS 26 HD2 HIS 26 1.373 -5.868 -0.335 59 HE1 HIS 26 HE1 HIS 26 0.387 -9.636 1.348 60 HE2 HIS 26 HE2 HIS 26 1.371 -8.438 -0.634 61 H LEU 27 HN LEU 27 -2.882 -3.569 0.611 62 HA LEU 27 HA LEU 27 -3.211 -1.462 2.633 63 HB2 LEU 27 HB2 LEU 27 -3.915 -1.233 0.130 64 HB3 LEU 27 HB1 LEU 27 -5.275 -2.246 0.588 65 HG LEU 27 HG LEU 27 -5.786 0.195 0.557 66 HD11 LEU 27 HD11 LEU 27 -6.998 0.257 2.642 67 HD12 LEU 27 HD12 LEU 27 -5.994 -1.042 3.293 68 HD13 LEU 27 HD13 LEU 27 -7.095 -1.365 1.947 69 HD21 LEU 27 HD21 LEU 27 -3.651 1.046 1.321 70 HD22 LEU 27 HD22 LEU 27 -3.880 0.275 2.890 71 HD23 LEU 27 HD23 LEU 27 -4.944 1.591 2.390 72 H LEU 28 HN LEU 28 -4.434 -1.804 4.394 73 HA LEU 28 HA LEU 28 -5.566 -4.488 4.720 74 HB2 LEU 28 HB2 LEU 28 -3.950 -2.858 6.367 75 HB3 LEU 28 HB1 LEU 28 -5.519 -2.976 7.149 76 HG LEU 28 HG LEU 28 -4.075 -4.708 7.991 77 HD11 LEU 28 HD11 LEU 28 -5.406 -6.692 7.494 78 HD12 LEU 28 HD12 LEU 28 -6.144 -5.856 6.128 79 HD13 LEU 28 HD13 LEU 28 -6.424 -5.279 7.770 80 HD21 LEU 28 HD21 LEU 28 -2.480 -4.920 6.245 81 HD22 LEU 28 HD22 LEU 28 -3.716 -5.421 5.096 82 HD23 LEU 28 HD23 LEU 28 -3.263 -6.491 6.422 83 H TYR 29 HN TYR 29 -7.647 -4.739 4.674 84 HA TYR 29 HA TYR 29 -9.430 -2.448 5.160 85 HB2 TYR 29 HB2 TYR 29 -9.546 -3.632 2.923 86 HB3 TYR 29 HB1 TYR 29 -10.053 -5.081 3.787 87 HD1 TYR 29 HD1 TYR 29 -11.013 -1.634 2.884 88 HD2 TYR 29 HD2 TYR 29 -12.328 -5.364 4.454 89 HE1 TYR 29 HE1 TYR 29 -13.349 -0.905 2.644 90 HE2 TYR 29 HE2 TYR 29 -14.667 -4.645 4.221 91 HH TYR 29 HH TYR 29 -15.989 -2.692 4.006 92 H ASN 30 HN ASN 30 -11.132 -2.721 6.666 93 HA ASN 30 HA ASN 30 -10.439 -4.043 8.999 94 HB2 ASN 30 HB2 ASN 30 -12.077 -2.149 8.803 95 HB3 ASN 30 HB1 ASN 30 -13.263 -3.306 8.210 96 HD21 ASN 30 HD21 ASN 30 -13.284 -1.616 10.589 97 HD22 ASN 30 HD22 ASN 30 -13.480 -2.681 11.937 98 H GLY 31 HN GLY 31 -10.101 -6.149 9.114 99 HA2 GLY 31 HA2 GLY 31 -11.536 -8.195 9.553 100 HA3 GLY 31 HA1 GLY 31 -12.082 -7.964 7.898 101 H ARG 32 HN ARG 32 -9.783 -7.375 6.563 102 HA ARG 32 HA ARG 32 -7.640 -9.131 7.091 103 HB2 ARG 32 HB2 ARG 32 -9.444 -10.812 6.635 104 HB3 ARG 32 HB1 ARG 32 -9.607 -10.145 5.020 105 HG2 ARG 32 HG2 ARG 32 -8.303 -12.179 4.983 106 HG3 ARG 32 HG1 ARG 32 -7.303 -10.801 4.520 107 HD2 ARG 32 HD2 ARG 32 -6.438 -10.714 6.846 108 HD3 ARG 32 HD1 ARG 32 -7.369 -12.168 7.209 109 HE ARG 32 HE ARG 32 -5.871 -12.872 5.042 110 HH11 ARG 32 HH11 ARG 32 -5.124 -11.574 8.222 111 HH12 ARG 32 HH12 ARG 32 -3.548 -12.306 8.271 112 HH21 ARG 32 HH21 ARG 32 -3.791 -13.832 5.141 113 HH22 ARG 32 HH22 ARG 32 -2.805 -13.578 6.554 114 H HIS 33 HN HIS 33 -6.191 -9.343 5.182 115 HA HIS 33 HA HIS 33 -5.373 -7.186 3.862 116 HB2 HIS 33 HB2 HIS 33 -4.147 -9.203 3.635 117 HB3 HIS 33 HB1 HIS 33 -5.513 -10.047 2.919 118 HD1 HIS 33 HD1 HIS 33 -6.094 -9.399 0.425 119 HD2 HIS 33 HD2 HIS 33 -2.456 -7.992 1.848 120 HE1 HIS 33 HE1 HIS 33 -4.797 -8.723 -1.610 121 HE2 HIS 33 HE2 HIS 33 -2.491 -8.220 -0.734 122 H TRP 34 HN TRP 34 -5.998 -5.835 2.281 123 HA TRP 34 HA TRP 34 -8.587 -6.345 1.008 124 HB2 TRP 34 HB2 TRP 34 -8.308 -4.276 2.309 125 HB3 TRP 34 HB1 TRP 34 -6.978 -3.799 1.265 126 HD1 TRP 34 HD1 TRP 34 -7.768 -1.891 -0.195 127 HE1 TRP 34 HE1 TRP 34 -9.877 -1.342 -1.545 128 HE3 TRP 34 HE3 TRP 34 -10.610 -5.955 1.044 129 HZ2 TRP 34 HZ2 TRP 34 -12.414 -2.477 -2.035 130 HZ3 TRP 34 HZ3 TRP 34 -12.870 -6.149 0.091 131 HH2 TRP 34 HH2 TRP 34 -13.752 -4.444 -1.418 132 H GLY 35 HN GLY 35 -5.417 -4.955 0.120 133 HA2 GLY 35 HA2 GLY 35 -5.321 -6.416 -2.351 134 HA3 GLY 35 HA1 GLY 35 -5.744 -4.727 -2.598 135 H THR 36 HN THR 36 -3.532 -5.247 -3.842 136 HA THR 36 HA THR 36 -1.522 -3.921 -2.232 137 HB THR 36 HB THR 36 -1.201 -6.373 -1.843 138 HG1 THR 36 HG1 THR 36 1.144 -6.085 -2.849 139 HG21 THR 36 HG21 THR 36 -0.285 -6.409 -4.707 140 HG22 THR 36 HG22 THR 36 -1.813 -7.083 -4.155 141 HG23 THR 36 HG23 THR 36 -0.289 -7.760 -3.577 142 H ILE 37 HN ILE 37 -0.098 -2.722 -3.390 143 HA ILE 37 HA ILE 37 -0.167 -2.883 -6.320 144 HB ILE 37 HB ILE 37 -0.302 -0.302 -4.730 145 HG12 ILE 37 HG12 ILE 37 -2.411 -0.039 -6.262 146 HG13 ILE 37 HG11 ILE 37 -2.332 -1.796 -6.363 147 HG21 ILE 37 HG21 ILE 37 -0.028 -0.799 -7.687 148 HG22 ILE 37 HG22 ILE 37 1.105 0.044 -6.627 149 HG23 ILE 37 HG23 ILE 37 -0.467 0.758 -6.989 150 HD11 ILE 37 HD11 ILE 37 -2.546 -1.965 -3.956 151 HD12 ILE 37 HD12 ILE 37 -3.882 -1.042 -4.642 152 HD13 ILE 37 HD13 ILE 37 -2.565 -0.207 -3.818 153 H ARG 38 HN ARG 38 1.856 -2.857 -7.225 154 HA ARG 38 HA ARG 38 4.098 -2.501 -5.408 155 HB2 ARG 38 HB2 ARG 38 3.793 -3.689 -8.117 156 HB3 ARG 38 HB1 ARG 38 5.376 -3.080 -7.650 157 HG2 ARG 38 HG2 ARG 38 5.063 -4.489 -5.532 158 HG3 ARG 38 HG1 ARG 38 3.782 -5.301 -6.438 159 HD2 ARG 38 HD2 ARG 38 6.658 -5.032 -7.301 160 HD3 ARG 38 HD1 ARG 38 5.923 -6.483 -6.623 161 HE ARG 38 HE ARG 38 4.349 -6.133 -8.704 162 HH11 ARG 38 HH11 ARG 38 7.849 -5.820 -8.526 163 HH12 ARG 38 HH12 ARG 38 8.087 -6.209 -10.197 164 HH21 ARG 38 HH21 ARG 38 4.693 -6.662 -10.905 165 HH22 ARG 38 HH22 ARG 38 6.318 -6.716 -11.533 166 H LYS 39 HN LYS 39 5.212 -0.779 -5.213 167 HA LYS 39 HA LYS 39 5.773 0.970 -7.437 168 HB2 LYS 39 HB2 LYS 39 3.635 1.888 -6.579 169 HB3 LYS 39 HB1 LYS 39 4.347 2.032 -4.977 170 HG2 LYS 39 HG2 LYS 39 5.883 3.696 -5.731 171 HG3 LYS 39 HG1 LYS 39 5.408 3.448 -7.409 172 HD2 LYS 39 HD2 LYS 39 3.546 4.435 -5.257 173 HD3 LYS 39 HD1 LYS 39 4.446 5.494 -6.342 174 HE2 LYS 39 HE2 LYS 39 3.347 4.211 -8.246 175 HE3 LYS 39 HE1 LYS 39 2.272 3.528 -7.024 176 HZ1 LYS 39 HZ1 LYS 39 2.582 6.393 -7.752 177 HZ2 LYS 39 HZ2 LYS 39 1.707 5.865 -6.403 178 HZ3 LYS 39 HZ3 LYS 39 1.209 5.424 -7.961 179 H LYS 40 HN LYS 40 7.564 2.379 -6.964 180 HA LYS 40 HA LYS 40 9.408 1.141 -5.149 181 HB2 LYS 40 HB2 LYS 40 9.744 3.663 -6.781 182 HB3 LYS 40 HB1 LYS 40 11.030 2.748 -6.004 183 HG2 LYS 40 HG2 LYS 40 10.429 0.811 -7.454 184 HG3 LYS 40 HG1 LYS 40 9.311 1.876 -8.312 185 HD2 LYS 40 HD2 LYS 40 11.424 1.748 -9.495 186 HD3 LYS 40 HD1 LYS 40 11.184 3.372 -8.851 187 HE2 LYS 40 HE2 LYS 40 12.652 2.869 -6.983 188 HE3 LYS 40 HE1 LYS 40 12.860 1.221 -7.569 189 HZ1 LYS 40 HZ1 LYS 40 14.735 2.395 -8.299 190 HZ2 LYS 40 HZ2 LYS 40 13.825 3.734 -8.796 191 HZ3 LYS 40 HZ3 LYS 40 13.745 2.281 -9.666 192 H ALA 41 HN ALA 41 10.554 2.188 -3.475 193 HA ALA 41 HA ALA 41 8.987 3.615 -1.645 194 HB1 ALA 41 HB1 ALA 41 11.982 3.312 -1.784 195 HB2 ALA 41 HB2 ALA 41 10.853 2.268 -0.923 196 HB3 ALA 41 HB3 ALA 41 11.089 3.932 -0.395 197 H GLY 42 HN GLY 42 8.902 5.741 -1.067 198 HA2 GLY 42 HA2 GLY 42 9.668 8.007 -1.164 199 HA3 GLY 42 HA1 GLY 42 10.362 7.662 -2.743 200 H TRP 43 HN TRP 43 8.052 6.291 -3.768 201 HA TRP 43 HA TRP 43 6.515 8.660 -4.465 202 HB2 TRP 43 HB2 TRP 43 6.327 5.873 -5.619 203 HB3 TRP 43 HB1 TRP 43 5.606 7.335 -6.281 204 HD1 TRP 43 HD1 TRP 43 8.117 5.184 -7.281 205 HE1 TRP 43 HE1 TRP 43 10.095 6.330 -8.451 206 HE3 TRP 43 HE3 TRP 43 7.320 9.980 -5.693 207 HZ2 TRP 43 HZ2 TRP 43 11.187 8.930 -8.664 208 HZ3 TRP 43 HZ3 TRP 43 8.882 11.735 -6.422 209 HH2 TRP 43 HH2 TRP 43 10.772 11.219 -7.876 210 H ALA 44 HN ALA 44 4.295 8.823 -4.288 211 HA ALA 44 HA ALA 44 3.153 7.342 -2.080 212 HB1 ALA 44 HB1 ALA 44 2.874 9.762 -2.192 213 HB2 ALA 44 HB2 ALA 44 1.314 8.948 -2.270 214 HB3 ALA 44 HB3 ALA 44 2.034 9.606 -3.735 215 H VAL 45 HN VAL 45 1.678 5.732 -2.256 216 HA VAL 45 HA VAL 45 0.806 4.975 -4.960 217 HB VAL 45 HB VAL 45 0.101 3.123 -2.821 218 HG11 VAL 45 HG11 VAL 45 1.715 2.811 -5.342 219 HG12 VAL 45 HG12 VAL 45 -0.026 2.579 -5.186 220 HG13 VAL 45 HG13 VAL 45 1.087 1.498 -4.348 221 HG21 VAL 45 HG21 VAL 45 2.440 2.291 -2.522 222 HG22 VAL 45 HG22 VAL 45 2.074 3.828 -1.730 223 HG23 VAL 45 HG23 VAL 45 2.998 3.805 -3.239 224 H ARG 46 HN ARG 46 -1.367 4.394 -5.343 225 HA ARG 46 HA ARG 46 -3.239 5.858 -3.658 226 HB2 ARG 46 HB2 ARG 46 -4.614 6.067 -5.500 227 HB3 ARG 46 HB1 ARG 46 -3.046 5.992 -6.281 228 HG2 ARG 46 HG2 ARG 46 -4.992 3.711 -5.999 229 HG3 ARG 46 HG1 ARG 46 -4.710 4.660 -7.453 230 HD2 ARG 46 HD2 ARG 46 -2.640 2.950 -6.073 231 HD3 ARG 46 HD1 ARG 46 -3.583 2.459 -7.474 232 HE ARG 46 HE ARG 46 -2.017 4.887 -7.788 233 HH11 ARG 46 HH11 ARG 46 -2.300 1.432 -8.294 234 HH12 ARG 46 HH12 ARG 46 -1.044 1.377 -9.499 235 HH21 ARG 46 HH21 ARG 46 -0.368 4.815 -9.407 236 HH22 ARG 46 HH22 ARG 46 0.038 3.285 -10.126 237 H PHE 47 HN PHE 47 -4.893 4.897 -2.548 238 HA PHE 47 HA PHE 47 -5.312 2.023 -2.942 239 HB2 PHE 47 HB2 PHE 47 -4.985 3.375 -0.254 240 HB3 PHE 47 HB1 PHE 47 -5.461 1.698 -0.497 241 HD1 PHE 47 HD2 PHE 47 -3.832 0.116 -1.556 242 HD2 PHE 47 HD1 PHE 47 -2.731 4.013 -0.266 243 HE1 PHE 47 HE2 PHE 47 -1.464 -0.552 -1.574 244 HE2 PHE 47 HE1 PHE 47 -0.363 3.356 -0.281 245 HZ PHE 47 HZ PHE 47 0.274 1.071 -0.935 246 H TYR 48 HN TYR 48 -7.429 1.443 -2.919 247 HA TYR 48 HA TYR 48 -9.418 3.352 -1.994 248 HB2 TYR 48 HB2 TYR 48 -10.562 3.323 -4.227 249 HB3 TYR 48 HB1 TYR 48 -9.034 4.191 -4.210 250 HD1 TYR 48 HD1 TYR 48 -7.029 3.174 -5.279 251 HD2 TYR 48 HD2 TYR 48 -10.883 1.406 -5.603 252 HE1 TYR 48 HE1 TYR 48 -6.246 1.842 -7.191 253 HE2 TYR 48 HE2 TYR 48 -10.111 0.064 -7.515 254 HH TYR 48 HH TYR 48 -8.280 0.297 -9.303 255 H GLU 49 HN GLU 49 -11.557 2.524 -1.994 256 HA GLU 49 HA GLU 49 -11.640 -0.385 -1.732 257 HB2 GLU 49 HB2 GLU 49 -13.789 -0.039 -0.592 258 HB3 GLU 49 HB1 GLU 49 -12.524 0.932 0.156 259 HG2 GLU 49 HG2 GLU 49 -13.331 2.896 -1.095 260 HG3 GLU 49 HG1 GLU 49 -14.624 1.905 -1.766 261 H GLU 50 HN GLU 50 -12.623 -1.622 -3.215 262 HA GLU 50 HA GLU 50 -14.494 -0.306 -5.043 263 HB2 GLU 50 HB2 GLU 50 -13.705 -1.791 -6.861 264 HB3 GLU 50 HB1 GLU 50 -12.486 -0.658 -6.307 265 HG2 GLU 50 HG2 GLU 50 -11.391 -2.432 -5.054 266 HG3 GLU 50 HG1 GLU 50 -12.638 -3.571 -5.569 267 H LYS 51 HN LYS 51 -16.414 -1.036 -4.702 268 HA LYS 51 HA LYS 51 -16.844 -3.890 -4.208 269 HB2 LYS 51 HB2 LYS 51 -17.882 -1.600 -2.527 270 HB3 LYS 51 HB1 LYS 51 -18.558 -3.223 -2.459 271 HG2 LYS 51 HG2 LYS 51 -16.469 -4.123 -1.689 272 HG3 LYS 51 HG1 LYS 51 -15.668 -2.567 -1.912 273 HD2 LYS 51 HD2 LYS 51 -17.991 -2.955 -0.040 274 HD3 LYS 51 HD1 LYS 51 -16.313 -3.169 0.460 275 HE2 LYS 51 HE2 LYS 51 -15.895 -0.835 -0.423 276 HE3 LYS 51 HE1 LYS 51 -17.645 -0.669 -0.551 277 HZ1 LYS 51 HZ1 LYS 51 -16.659 0.217 1.530 278 HZ2 LYS 51 HZ2 LYS 51 -16.244 -1.366 1.972 279 HZ3 LYS 51 HZ3 LYS 51 -17.873 -0.938 1.786 280 HA PRO 52 HA PRO 52 -19.367 -3.332 -7.739 281 HB2 PRO 52 HB2 PRO 52 -21.126 -5.439 -7.121 282 HB3 PRO 52 HB1 PRO 52 -19.648 -5.544 -8.078 283 HG2 PRO 52 HG2 PRO 52 -20.095 -6.182 -5.203 284 HG3 PRO 52 HG1 PRO 52 -19.027 -6.967 -6.381 285 HD2 PRO 52 HD2 PRO 52 -18.048 -5.335 -4.505 286 HD3 PRO 52 HD1 PRO 52 -17.378 -5.337 -6.152 287 H GLY 53 HN GLY 53 -20.702 -1.705 -7.906 288 HA2 GLY 53 HA2 GLY 53 -23.088 -1.092 -7.817 289 HA3 GLY 53 HA1 GLY 53 -23.067 -1.607 -6.133 290 H GLN 54 HN GLN 54 -20.262 -0.396 -6.020 291 HA GLN 54 HA GLN 54 -21.074 2.427 -5.812 292 HB2 GLN 54 HB2 GLN 54 -19.261 0.934 -3.909 293 HB3 GLN 54 HB1 GLN 54 -19.790 2.603 -3.759 294 HG2 GLN 54 HG2 GLN 54 -22.089 1.861 -3.461 295 HG3 GLN 54 HG1 GLN 54 -21.571 0.184 -3.638 296 HE21 GLN 54 HE21 GLN 54 -20.445 -0.799 -1.973 297 HE22 GLN 54 HE22 GLN 54 -20.363 -0.130 -0.376 298 HA PRO 55 HA PRO 55 -17.277 3.315 -8.036 299 HB2 PRO 55 HB2 PRO 55 -16.870 5.842 -7.172 300 HB3 PRO 55 HB1 PRO 55 -18.107 5.434 -8.362 301 HG2 PRO 55 HG2 PRO 55 -18.392 5.914 -5.422 302 HG3 PRO 55 HG1 PRO 55 -19.424 6.475 -6.751 303 HD2 PRO 55 HD2 PRO 55 -20.064 4.348 -5.204 304 HD3 PRO 55 HD1 PRO 55 -20.522 4.454 -6.916 305 H LYS 56 HN LYS 56 -15.065 3.950 -7.600 306 HA LYS 56 HA LYS 56 -14.216 2.577 -5.190 307 HB2 LYS 56 HB2 LYS 56 -12.616 3.586 -7.553 308 HB3 LYS 56 HB1 LYS 56 -12.056 2.465 -6.315 309 HG2 LYS 56 HG2 LYS 56 -13.275 0.715 -7.138 310 HG3 LYS 56 HG1 LYS 56 -14.511 1.765 -7.834 311 HD2 LYS 56 HD2 LYS 56 -12.866 2.484 -9.533 312 HD3 LYS 56 HD1 LYS 56 -11.731 1.286 -8.894 313 HE2 LYS 56 HE2 LYS 56 -14.380 0.827 -10.250 314 HE3 LYS 56 HE1 LYS 56 -12.787 0.281 -10.767 315 HZ1 LYS 56 HZ1 LYS 56 -12.727 -1.163 -8.780 316 HZ2 LYS 56 HZ2 LYS 56 -13.995 -1.546 -9.835 317 HZ3 LYS 56 HZ3 LYS 56 -14.316 -0.688 -8.412 318 H ARG 57 HN ARG 57 -13.587 3.584 -3.424 319 HA ARG 57 HA ARG 57 -13.292 6.505 -3.558 320 HB2 ARG 57 HB2 ARG 57 -15.111 5.231 -2.167 321 HB3 ARG 57 HB1 ARG 57 -13.792 4.960 -1.039 322 HG2 ARG 57 HG2 ARG 57 -13.450 7.481 -1.080 323 HG3 ARG 57 HG1 ARG 57 -15.024 7.558 -1.875 324 HD2 ARG 57 HD2 ARG 57 -14.344 6.686 0.900 325 HD3 ARG 57 HD1 ARG 57 -15.581 7.820 0.359 326 HE ARG 57 HE ARG 57 -15.749 4.875 0.194 327 HH11 ARG 57 HH11 ARG 57 -17.284 8.030 0.165 328 HH12 ARG 57 HH12 ARG 57 -18.898 7.391 0.168 329 HH21 ARG 57 HH21 ARG 57 -17.886 4.030 0.226 330 HH22 ARG 57 HH22 ARG 57 -19.240 5.121 0.237 331 H LEU 58 HN LEU 58 -11.446 7.457 -2.879 332 HA LEU 58 HA LEU 58 -9.107 5.920 -2.459 333 HB2 LEU 58 HB2 LEU 58 -9.786 8.671 -2.855 334 HB3 LEU 58 HB1 LEU 58 -8.719 8.555 -1.469 335 HG LEU 58 HG LEU 58 -8.082 7.384 -4.180 336 HD11 LEU 58 HD11 LEU 58 -7.173 9.978 -2.939 337 HD12 LEU 58 HD12 LEU 58 -8.237 9.809 -4.335 338 HD13 LEU 58 HD13 LEU 58 -6.556 9.285 -4.439 339 HD21 LEU 58 HD21 LEU 58 -5.833 7.192 -3.311 340 HD22 LEU 58 HD22 LEU 58 -6.954 6.333 -2.252 341 HD23 LEU 58 HD23 LEU 58 -6.333 7.914 -1.782 342 H VAL 59 HN VAL 59 -8.644 4.818 -0.676 343 HA VAL 59 HA VAL 59 -9.908 5.600 1.834 344 HB VAL 59 HB VAL 59 -9.198 3.439 2.717 345 HG11 VAL 59 HG11 VAL 59 -10.487 3.169 0.006 346 HG12 VAL 59 HG12 VAL 59 -11.313 3.626 1.493 347 HG13 VAL 59 HG13 VAL 59 -10.599 2.020 1.339 348 HG21 VAL 59 HG21 VAL 59 -8.071 1.794 1.349 349 HG22 VAL 59 HG22 VAL 59 -7.086 3.257 1.460 350 HG23 VAL 59 HG23 VAL 59 -8.010 2.921 -0.006 351 H ALA 60 HN ALA 60 -6.780 5.542 0.310 352 HA ALA 60 HA ALA 60 -5.711 7.387 2.093 353 HB1 ALA 60 HB1 ALA 60 -4.009 6.049 3.263 354 HB2 ALA 60 HB2 ALA 60 -4.778 4.588 2.658 355 HB3 ALA 60 HB3 ALA 60 -5.652 5.644 3.756 356 H ILE 61 HN ILE 61 -3.799 8.201 1.395 357 HA ILE 61 HA ILE 61 -2.518 6.869 -0.892 358 HB ILE 61 HB ILE 61 -2.137 9.719 0.069 359 HG12 ILE 61 HG12 ILE 61 -3.281 10.144 -2.260 360 HG13 ILE 61 HG11 ILE 61 -3.950 8.537 -2.007 361 HG21 ILE 61 HG21 ILE 61 -1.241 8.399 -2.485 362 HG22 ILE 61 HG22 ILE 61 -0.216 8.689 -1.082 363 HG23 ILE 61 HG23 ILE 61 -0.897 10.051 -1.970 364 HD11 ILE 61 HD11 ILE 61 -4.325 10.964 -0.279 365 HD12 ILE 61 HD12 ILE 61 -4.847 9.342 0.165 366 HD13 ILE 61 HD13 ILE 61 -5.541 10.132 -1.251 367 H CYS 62 HN CYS 62 -0.646 5.791 -0.419 368 HA CYS 62 HA CYS 62 0.644 6.531 2.129 369 HB2 CYS 62 HB2 CYS 62 -0.866 4.432 2.180 370 HB3 CYS 62 HB1 CYS 62 0.406 3.665 1.229 371 H LYS 63 HN LYS 63 2.858 6.308 2.230 372 HA LYS 63 HA LYS 63 4.231 5.255 -0.119 373 HB2 LYS 63 HB2 LYS 63 5.542 7.208 -0.476 374 HB3 LYS 63 HB1 LYS 63 3.867 7.733 -0.431 375 HG2 LYS 63 HG2 LYS 63 4.233 8.370 1.968 376 HG3 LYS 63 HG1 LYS 63 5.951 8.053 1.710 377 HD2 LYS 63 HD2 LYS 63 5.785 10.334 1.311 378 HD3 LYS 63 HD1 LYS 63 5.693 9.636 -0.312 379 HE2 LYS 63 HE2 LYS 63 3.273 9.811 -0.269 380 HE3 LYS 63 HE1 LYS 63 3.336 10.463 1.368 381 HZ1 LYS 63 HZ1 LYS 63 3.094 12.284 -0.075 382 HZ2 LYS 63 HZ2 LYS 63 4.310 11.733 -1.124 383 HZ3 LYS 63 HZ3 LYS 63 4.718 12.306 0.419 384 H ASN 64 HN ASN 64 6.617 5.095 0.335 385 HA ASN 64 HA ASN 64 6.870 3.971 2.997 386 HB2 ASN 64 HB2 ASN 64 7.682 2.645 1.124 387 HB3 ASN 64 HB1 ASN 64 8.761 3.947 0.633 388 HD21 ASN 64 HD21 ASN 64 10.662 4.262 1.703 389 HD22 ASN 64 HD22 ASN 64 11.298 3.111 2.838 390 H ALA 65 HN ALA 65 8.157 4.701 4.597 391 HA ALA 65 HA ALA 65 8.475 7.350 5.050 392 HB1 ALA 65 HB1 ALA 65 10.327 5.214 6.095 393 HB2 ALA 65 HB2 ALA 65 8.740 5.611 6.755 394 HB3 ALA 65 HB3 ALA 65 10.041 6.798 6.817 395 H SER 66 HN SER 66 11.138 5.258 3.952 396 HA SER 66 HA SER 66 12.730 7.583 3.254 397 HB2 SER 66 HB2 SER 66 13.890 5.742 4.333 398 HB3 SER 66 HB1 SER 66 13.304 4.611 3.115 399 HG SER 66 HG SER 66 15.559 5.744 3.009 400 HA PRO 67 HA PRO 67 11.561 7.287 -1.050 401 HB2 PRO 67 HB2 PRO 67 13.687 9.097 -1.731 402 HB3 PRO 67 HB1 PRO 67 11.964 9.446 -1.584 403 HG2 PRO 67 HG2 PRO 67 13.900 10.428 0.111 404 HG3 PRO 67 HG1 PRO 67 12.188 10.259 0.534 405 HD2 PRO 67 HD2 PRO 67 14.497 8.478 1.211 406 HD3 PRO 67 HD1 PRO 67 13.102 8.950 2.208 407 H VAL 68 HN VAL 68 14.260 6.002 0.340 408 HA VAL 68 HA VAL 68 15.289 5.054 -2.258 409 HB VAL 68 HB VAL 68 16.988 5.254 0.215 410 HG11 VAL 68 HG11 VAL 68 17.866 5.228 -2.652 411 HG12 VAL 68 HG12 VAL 68 17.516 3.741 -1.782 412 HG13 VAL 68 HG13 VAL 68 18.794 4.817 -1.206 413 HG21 VAL 68 HG21 VAL 68 17.961 7.305 -0.743 414 HG22 VAL 68 HG22 VAL 68 16.263 7.515 -0.315 415 HG23 VAL 68 HG23 VAL 68 16.726 7.286 -2.002 416 H HIS 69 HN HIS 69 15.725 4.143 1.167 417 HA HIS 69 HA HIS 69 15.491 1.332 0.442 418 HB2 HIS 69 HB2 HIS 69 15.937 2.629 3.141 419 HB3 HIS 69 HB1 HIS 69 15.935 0.903 2.851 420 HD1 HIS 69 HD1 HIS 69 18.048 3.926 2.602 421 HD2 HIS 69 HD2 HIS 69 18.232 -0.084 1.530 422 HE1 HIS 69 HE1 HIS 69 20.468 3.469 2.106 423 HE2 HIS 69 HE2 HIS 69 20.577 0.975 1.782 424 H CYS 70 HN CYS 70 14.076 -0.066 1.820 425 HA CYS 70 HA CYS 70 11.464 1.226 2.158 426 HB2 CYS 70 HB2 CYS 70 11.587 -0.757 0.669 427 HB3 CYS 70 HB1 CYS 70 12.130 -1.725 2.033 428 HG CYS 70 HG CYS 70 9.458 -0.452 3.167 429 H ASN 71 HN ASN 71 10.628 1.557 4.109 430 HA ASN 71 HA ASN 71 11.836 0.154 6.404 431 HB2 ASN 71 HB2 ASN 71 10.933 3.046 6.332 432 HB3 ASN 71 HB1 ASN 71 11.530 2.196 7.750 433 HD21 ASN 71 HD21 ASN 71 12.520 4.610 6.519 434 HD22 ASN 71 HD22 ASN 71 14.176 4.300 6.100 435 H TYR 72 HN TYR 72 9.248 2.527 6.244 436 HA TYR 72 HA TYR 72 7.252 0.470 6.861 437 HB2 TYR 72 HB2 TYR 72 7.338 3.111 8.328 438 HB3 TYR 72 HB1 TYR 72 6.349 1.704 8.698 439 HD1 TYR 72 HD2 TYR 72 7.457 -0.337 9.665 440 HD2 TYR 72 HD1 TYR 72 9.497 3.368 9.223 441 HE1 TYR 72 HE2 TYR 72 9.161 -1.089 11.271 442 HE2 TYR 72 HE1 TYR 72 11.203 2.628 10.825 443 HH TYR 72 HH TYR 72 11.382 -0.633 11.953 444 H LEU 73 HN LEU 73 5.001 1.503 6.700 445 HA LEU 73 HA LEU 73 5.039 3.250 4.347 446 HB2 LEU 73 HB2 LEU 73 2.934 1.364 5.390 447 HB3 LEU 73 HB1 LEU 73 2.640 2.500 4.089 448 HG LEU 73 HG LEU 73 4.489 0.126 4.079 449 HD11 LEU 73 HD11 LEU 73 3.131 -0.445 2.070 450 HD12 LEU 73 HD12 LEU 73 2.074 0.919 2.455 451 HD13 LEU 73 HD13 LEU 73 2.223 -0.433 3.581 452 HD21 LEU 73 HD21 LEU 73 5.235 0.805 1.874 453 HD22 LEU 73 HD22 LEU 73 5.631 2.054 3.058 454 HD23 LEU 73 HD23 LEU 73 4.260 2.271 1.973 455 H LYS 74 HN LYS 74 4.563 5.273 4.588 456 HA LYS 74 HA LYS 74 3.036 6.158 6.938 457 HB2 LYS 74 HB2 LYS 74 4.654 7.828 4.999 458 HB3 LYS 74 HB1 LYS 74 3.978 8.353 6.532 459 HG2 LYS 74 HG2 LYS 74 6.065 6.199 6.347 460 HG3 LYS 74 HG1 LYS 74 6.471 7.910 6.461 461 HD2 LYS 74 HD2 LYS 74 6.570 7.184 8.668 462 HD3 LYS 74 HD1 LYS 74 4.967 7.915 8.552 463 HE2 LYS 74 HE2 LYS 74 4.022 5.652 8.187 464 HE3 LYS 74 HE1 LYS 74 5.629 4.975 8.443 465 HZ1 LYS 74 HZ1 LYS 74 4.523 4.812 10.486 466 HZ2 LYS 74 HZ2 LYS 74 3.909 6.388 10.393 467 HZ3 LYS 74 HZ3 LYS 74 5.561 6.140 10.667 468 H CYS 75 HN CYS 75 0.908 6.183 6.445 469 HA CYS 75 HA CYS 75 0.138 6.979 3.730 470 HB2 CYS 75 HB2 CYS 75 -1.777 5.757 5.681 471 HB3 CYS 75 HB1 CYS 75 -1.764 5.663 3.927 472 H THR 76 HN THR 76 -1.491 8.488 3.381 473 HA THR 76 HA THR 76 -2.318 10.070 5.719 474 HB THR 76 HB THR 76 -0.561 11.258 4.380 475 HG1 THR 76 HG1 THR 76 -1.575 13.131 4.691 476 HG21 THR 76 HG21 THR 76 -2.674 11.264 2.224 477 HG22 THR 76 HG22 THR 76 -1.140 10.397 2.161 478 HG23 THR 76 HG23 THR 76 -1.155 12.160 2.181 479 H ASN 77 HN ASN 77 -4.362 11.168 5.443 480 HA ASN 77 HA ASN 77 -6.583 11.186 4.981 481 HB2 ASN 77 HB2 ASN 77 -5.529 10.456 2.250 482 HB3 ASN 77 HB1 ASN 77 -7.246 10.701 2.560 483 HD21 ASN 77 HD21 ASN 77 -5.352 12.171 0.865 484 HD22 ASN 77 HD22 ASN 77 -5.443 13.817 1.383 485 H LEU 78 HN LEU 78 -5.876 9.042 6.381 486 HA LEU 78 HA LEU 78 -6.622 6.546 5.239 487 HB2 LEU 78 HB2 LEU 78 -6.605 7.437 8.130 488 HB3 LEU 78 HB1 LEU 78 -6.752 5.775 7.585 489 HG LEU 78 HG LEU 78 -4.352 7.538 7.085 490 HD11 LEU 78 HD11 LEU 78 -4.778 5.349 9.113 491 HD12 LEU 78 HD12 LEU 78 -4.562 7.066 9.448 492 HD13 LEU 78 HD13 LEU 78 -3.237 6.128 8.761 493 HD21 LEU 78 HD21 LEU 78 -3.263 5.496 6.376 494 HD22 LEU 78 HD22 LEU 78 -4.707 5.782 5.403 495 HD23 LEU 78 HD23 LEU 78 -4.733 4.574 6.687 496 H ALA 79 HN ALA 79 -8.567 5.464 5.265 497 HA ALA 79 HA ALA 79 -10.894 7.192 5.547 498 HB1 ALA 79 HB1 ALA 79 -12.117 5.366 4.409 499 HB2 ALA 79 HB2 ALA 79 -10.629 4.417 4.371 500 HB3 ALA 79 HB3 ALA 79 -10.730 5.940 3.487 501 H ALA 80 HN ALA 80 -11.132 7.348 7.742 502 HA ALA 80 HA ALA 80 -11.897 6.850 9.810 503 HB1 ALA 80 HB1 ALA 80 -13.515 5.052 10.081 504 HB2 ALA 80 HB2 ALA 80 -13.071 4.396 8.505 505 HB3 ALA 80 HB3 ALA 80 -13.847 5.976 8.616 506 H GLY 81 HN GLY 81 -11.600 3.448 9.014 507 HA2 GLY 81 HA2 GLY 81 -9.276 3.311 10.828 508 HA3 GLY 81 HA1 GLY 81 -10.551 2.101 10.815 509 H PHE 82 HN PHE 82 -10.132 3.035 7.687 510 HA PHE 82 HA PHE 82 -8.700 0.598 7.072 511 HB2 PHE 82 HB2 PHE 82 -9.783 2.726 5.208 512 HB3 PHE 82 HB1 PHE 82 -9.188 1.139 4.732 513 HD1 PHE 82 HD2 PHE 82 -10.368 -0.791 6.333 514 HD2 PHE 82 HD1 PHE 82 -12.059 2.914 5.096 515 HE1 PHE 82 HE2 PHE 82 -12.624 -1.721 6.640 516 HE2 PHE 82 HE1 PHE 82 -14.317 1.990 5.408 517 HZ PHE 82 HZ PHE 82 -14.602 -0.331 6.182 518 H SER 83 HN SER 83 -6.618 0.436 6.608 519 HA SER 83 HA SER 83 -5.056 2.781 5.879 520 HB2 SER 83 HB2 SER 83 -4.440 1.140 8.355 521 HB3 SER 83 HB1 SER 83 -3.475 2.478 7.730 522 HG SER 83 HG SER 83 -6.012 3.275 8.017 523 H ALA 84 HN ALA 84 -2.580 1.885 5.908 524 HA ALA 84 HA ALA 84 -2.691 -0.508 4.221 525 HB1 ALA 84 HB1 ALA 84 -0.477 0.214 3.406 526 HB2 ALA 84 HB2 ALA 84 -0.551 1.612 4.483 527 HB3 ALA 84 HB3 ALA 84 -1.716 1.446 3.166 528 H GLY 85 HN GLY 85 -0.578 -1.825 4.338 529 HA2 GLY 85 HA2 GLY 85 0.121 -2.226 7.184 530 HA3 GLY 85 HA1 GLY 85 -0.199 -3.568 6.091 531 H THR 86 HN THR 86 1.751 -4.558 6.090 532 HA THR 86 HA THR 86 4.165 -2.971 5.689 533 HB THR 86 HB THR 86 4.135 -4.727 7.443 534 HG1 THR 86 HG1 THR 86 6.184 -5.304 7.022 535 HG21 THR 86 HG21 THR 86 2.655 -6.305 6.240 536 HG22 THR 86 HG22 THR 86 4.118 -7.067 6.862 537 HG23 THR 86 HG23 THR 86 3.988 -6.676 5.147 538 H SER 87 HN SER 87 5.837 -4.314 4.249 539 HA SER 87 HA SER 87 4.490 -4.826 1.678 540 HB2 SER 87 HB2 SER 87 7.327 -3.875 2.178 541 HB3 SER 87 HB1 SER 87 6.582 -4.122 0.598 542 HG SER 87 HG SER 87 5.372 -2.407 2.472 543 H THR 88 HN THR 88 5.127 -6.656 0.485 544 HA THR 88 HA THR 88 6.826 -8.588 1.892 545 HB THR 88 HB THR 88 5.041 -10.328 1.515 546 HG1 THR 88 HG1 THR 88 3.862 -8.352 0.268 547 HG21 THR 88 HG21 THR 88 4.462 -8.074 3.436 548 HG22 THR 88 HG22 THR 88 5.480 -9.482 3.744 549 HG23 THR 88 HG23 THR 88 3.740 -9.682 3.523 550 H ASP 89 HN ASP 89 6.097 -10.801 0.420 551 HA ASP 89 HA ASP 89 6.363 -11.966 -1.480 552 HB2 ASP 89 HB2 ASP 89 4.494 -10.479 -2.221 553 HB3 ASP 89 HB1 ASP 89 5.692 -9.412 -2.939 554 H VAL 90 HN VAL 90 7.451 -8.899 -2.864 555 HA VAL 90 HA VAL 90 9.743 -10.146 -3.978 556 HB VAL 90 HB VAL 90 10.362 -7.765 -4.619 557 HG11 VAL 90 HG11 VAL 90 8.559 -7.616 -6.281 558 HG12 VAL 90 HG12 VAL 90 7.634 -8.807 -5.365 559 HG13 VAL 90 HG13 VAL 90 9.163 -9.266 -6.116 560 HG21 VAL 90 HG21 VAL 90 7.823 -7.282 -3.102 561 HG22 VAL 90 HG22 VAL 90 8.286 -6.231 -4.435 562 HG23 VAL 90 HG23 VAL 90 9.346 -6.391 -3.031 563 H LEU 91 HN LEU 91 9.168 -8.115 -1.167 564 HA LEU 91 HA LEU 91 12.010 -7.938 -0.569 565 HB2 LEU 91 HB2 LEU 91 9.701 -7.013 1.127 566 HB3 LEU 91 HB1 LEU 91 11.382 -6.539 1.281 567 HG LEU 91 HG LEU 91 9.394 -5.735 -0.807 568 HD11 LEU 91 HD11 LEU 91 11.268 -4.186 0.975 569 HD12 LEU 91 HD12 LEU 91 9.538 -4.412 1.236 570 HD13 LEU 91 HD13 LEU 91 10.105 -3.497 -0.160 571 HD21 LEU 91 HD21 LEU 91 11.132 -4.829 -2.158 572 HD22 LEU 91 HD22 LEU 91 11.501 -6.535 -1.856 573 HD23 LEU 91 HD23 LEU 91 12.362 -5.273 -0.970 574 H SER 92 HN SER 92 9.120 -9.169 1.016 575 HA SER 92 HA SER 92 10.594 -10.186 3.240 576 HB2 SER 92 HB2 SER 92 8.255 -9.358 3.405 577 HB3 SER 92 HB1 SER 92 7.722 -10.758 2.478 578 HG SER 92 HG SER 92 8.526 -10.563 5.116 579 H SER 93 HN SER 93 8.357 -12.111 1.241 580 HA SER 93 HA SER 93 10.388 -14.111 0.748 581 HB2 SER 93 HB2 SER 93 7.921 -14.796 2.374 582 HB3 SER 93 HB1 SER 93 9.139 -15.941 1.813 583 HG SER 93 HG SER 93 10.573 -15.157 3.250 584 H GLY 94 HN GLY 94 6.840 -13.832 0.844 585 HA2 GLY 94 HA2 GLY 94 6.505 -13.632 -1.945 586 HA3 GLY 94 HA1 GLY 94 6.318 -15.314 -1.458 587 H THR 95 HN THR 95 4.172 -14.178 -2.563 588 HA THR 95 HA THR 95 2.334 -14.055 -0.302 589 HB THR 95 HB THR 95 0.973 -12.315 -1.530 590 HG1 THR 95 HG1 THR 95 3.423 -12.122 -2.982 591 HG21 THR 95 HG21 THR 95 3.654 -11.523 -0.407 592 HG22 THR 95 HG22 THR 95 2.143 -11.722 0.484 593 HG23 THR 95 HG23 THR 95 2.311 -10.413 -0.687 594 H VAL 96 HN VAL 96 1.693 -13.337 -3.559 595 HA VAL 96 HA VAL 96 0.998 -15.748 -4.693 596 HB VAL 96 HB VAL 96 -0.660 -15.893 -2.815 597 HG11 VAL 96 HG11 VAL 96 -2.667 -14.470 -2.900 598 HG12 VAL 96 HG12 VAL 96 -1.914 -13.511 -4.175 599 HG13 VAL 96 HG13 VAL 96 -1.201 -13.547 -2.563 600 HG21 VAL 96 HG21 VAL 96 -1.853 -15.704 -5.579 601 HG22 VAL 96 HG22 VAL 96 -2.559 -16.554 -4.204 602 HG23 VAL 96 HG23 VAL 96 -1.033 -17.105 -4.893 603 H GLY 97 HN GLY 97 0.914 -12.389 -4.413 604 HA2 GLY 97 HA2 GLY 97 1.055 -10.964 -6.343 605 HA3 GLY 97 HA1 GLY 97 -0.000 -12.087 -7.196 606 H SER 98 HN SER 98 -0.381 -10.832 -3.943 607 HA SER 98 HA SER 98 -2.299 -8.910 -4.273 608 HB2 SER 98 HB2 SER 98 -3.621 -10.685 -5.440 609 HB3 SER 98 HB1 SER 98 -3.570 -11.652 -3.968 610 HG SER 98 HG SER 98 -4.949 -10.316 -3.010 Start of MODEL 3 1 H1 SER 19 HT1 SER 19 21.066 -0.317 -2.882 2 H2 SER 19 HT2 SER 19 19.488 -0.859 -2.580 3 H3 SER 19 HT3 SER 19 20.154 0.383 -1.640 4 HA SER 19 HA SER 19 20.185 1.866 -3.470 5 HB2 SER 19 HB2 SER 19 19.127 1.080 -5.637 6 HB3 SER 19 HB1 SER 19 20.710 0.390 -5.275 7 HG SER 19 HG SER 19 18.562 -0.939 -5.854 8 H PHE 20 HN PHE 20 18.087 2.621 -4.719 9 HA PHE 20 HA PHE 20 15.897 2.785 -2.960 10 HB2 PHE 20 HB2 PHE 20 15.971 3.271 -5.953 11 HB3 PHE 20 HB1 PHE 20 14.680 3.763 -4.879 12 HD1 PHE 20 HD2 PHE 20 18.408 4.151 -5.051 13 HD2 PHE 20 HD1 PHE 20 14.621 5.933 -4.376 14 HE1 PHE 20 HE2 PHE 20 19.507 6.320 -4.684 15 HE2 PHE 20 HE1 PHE 20 15.701 8.118 -4.011 16 HZ PHE 20 HZ PHE 20 18.153 8.309 -4.165 17 H VAL 21 HN VAL 21 14.553 1.242 -2.470 18 HA VAL 21 HA VAL 21 14.379 -1.094 -4.225 19 HB VAL 21 HB VAL 21 15.190 -1.708 -2.108 20 HG11 VAL 21 HG11 VAL 21 12.920 -0.223 -0.806 21 HG12 VAL 21 HG12 VAL 21 14.537 0.445 -1.051 22 HG13 VAL 21 HG13 VAL 21 14.313 -0.973 -0.017 23 HG21 VAL 21 HG21 VAL 21 13.314 -3.130 -2.960 24 HG22 VAL 21 HG22 VAL 21 12.233 -2.240 -1.885 25 HG23 VAL 21 HG23 VAL 21 13.550 -3.202 -1.214 26 H GLN 22 HN GLN 22 12.469 -1.861 -4.993 27 HA GLN 22 HA GLN 22 10.099 -0.196 -4.563 28 HB2 GLN 22 HB2 GLN 22 9.139 -1.381 -6.480 29 HB3 GLN 22 HB1 GLN 22 10.695 -0.672 -6.886 30 HG2 GLN 22 HG2 GLN 22 11.762 -2.830 -6.705 31 HG3 GLN 22 HG1 GLN 22 10.242 -3.566 -6.187 32 HE21 GLN 22 HE21 GLN 22 8.607 -3.856 -7.689 33 HE22 GLN 22 HE22 GLN 22 8.877 -3.772 -9.395 34 H CYS 23 HN CYS 23 8.149 -1.056 -3.771 35 HA CYS 23 HA CYS 23 8.131 -3.843 -2.946 36 HB2 CYS 23 HB2 CYS 23 7.553 -3.187 -0.586 37 HB3 CYS 23 HB1 CYS 23 9.223 -2.892 -1.057 38 HG CYS 23 HG CYS 23 8.784 -0.718 0.394 39 H ASN 24 HN ASN 24 6.118 -4.697 -2.723 40 HA ASN 24 HA ASN 24 3.894 -3.182 -3.689 41 HB2 ASN 24 HB2 ASN 24 2.643 -5.352 -2.845 42 HB3 ASN 24 HB1 ASN 24 3.633 -5.394 -4.299 43 HD21 ASN 24 HD21 ASN 24 5.552 -6.504 -4.284 44 HD22 ASN 24 HD22 ASN 24 6.008 -7.586 -3.014 45 H HIS 25 HN HIS 25 2.940 -1.708 -2.509 46 HA HIS 25 HA HIS 25 3.062 -1.715 0.368 47 HB2 HIS 25 HB2 HIS 25 1.425 0.048 -1.471 48 HB3 HIS 25 HB1 HIS 25 1.725 0.337 0.231 49 HD1 HIS 25 HD1 HIS 25 4.808 -0.754 -1.304 50 HD2 HIS 25 HD2 HIS 25 2.735 2.834 -1.023 51 HE1 HIS 25 HE1 HIS 25 6.475 1.032 -1.880 52 HE2 HIS 25 HE2 HIS 25 5.127 3.157 -1.952 53 H HIS 26 HN HIS 26 1.751 -2.915 1.588 54 HA HIS 26 HA HIS 26 -0.639 -4.069 0.411 55 HB2 HIS 26 HB2 HIS 26 0.799 -4.538 3.019 56 HB3 HIS 26 HB1 HIS 26 -0.783 -5.235 2.692 57 HD1 HIS 26 HD1 HIS 26 -0.326 -7.647 2.335 58 HD2 HIS 26 HD2 HIS 26 2.379 -5.225 0.302 59 HE1 HIS 26 HE1 HIS 26 1.071 -9.204 0.936 60 HE2 HIS 26 HE2 HIS 26 2.843 -7.733 -0.079 61 H LEU 27 HN LEU 27 -2.632 -3.405 0.734 62 HA LEU 27 HA LEU 27 -3.168 -1.436 2.842 63 HB2 LEU 27 HB2 LEU 27 -3.932 -1.222 0.349 64 HB3 LEU 27 HB1 LEU 27 -5.160 -2.399 0.797 65 HG LEU 27 HG LEU 27 -5.994 -0.074 0.832 66 HD11 LEU 27 HD11 LEU 27 -7.084 -0.143 2.987 67 HD12 LEU 27 HD12 LEU 27 -5.887 -1.294 3.585 68 HD13 LEU 27 HD13 LEU 27 -7.006 -1.768 2.302 69 HD21 LEU 27 HD21 LEU 27 -3.963 1.075 1.463 70 HD22 LEU 27 HD22 LEU 27 -3.983 0.297 3.044 71 HD23 LEU 27 HD23 LEU 27 -5.250 1.444 2.611 72 H LEU 28 HN LEU 28 -4.202 -2.031 4.636 73 HA LEU 28 HA LEU 28 -4.891 -4.872 4.844 74 HB2 LEU 28 HB2 LEU 28 -3.235 -3.199 6.378 75 HB3 LEU 28 HB1 LEU 28 -4.647 -3.509 7.368 76 HG LEU 28 HG LEU 28 -2.887 -5.114 7.841 77 HD11 LEU 28 HD11 LEU 28 -4.149 -7.187 7.500 78 HD12 LEU 28 HD12 LEU 28 -5.224 -6.336 6.390 79 HD13 LEU 28 HD13 LEU 28 -5.166 -5.874 8.091 80 HD21 LEU 28 HD21 LEU 28 -1.725 -5.102 5.734 81 HD22 LEU 28 HD22 LEU 28 -3.123 -5.809 4.925 82 HD23 LEU 28 HD23 LEU 28 -2.224 -6.752 6.117 83 H TYR 29 HN TYR 29 -6.898 -5.422 5.116 84 HA TYR 29 HA TYR 29 -8.877 -3.456 6.029 85 HB2 TYR 29 HB2 TYR 29 -9.443 -4.637 3.964 86 HB3 TYR 29 HB1 TYR 29 -9.160 -6.191 4.737 87 HD1 TYR 29 HD2 TYR 29 -11.305 -3.148 5.080 88 HD2 TYR 29 HD1 TYR 29 -10.967 -7.359 5.593 89 HE1 TYR 29 HE2 TYR 29 -13.674 -3.254 5.733 90 HE2 TYR 29 HE1 TYR 29 -13.335 -7.476 6.245 91 HH TYR 29 HH TYR 29 -15.080 -6.092 7.104 92 H ASN 30 HN ASN 30 -10.235 -4.019 7.819 93 HA ASN 30 HA ASN 30 -8.926 -5.090 10.008 94 HB2 ASN 30 HB2 ASN 30 -11.912 -4.927 9.544 95 HB3 ASN 30 HB1 ASN 30 -11.140 -5.177 11.106 96 HD21 ASN 30 HD21 ASN 30 -9.943 -3.485 12.031 97 HD22 ASN 30 HD22 ASN 30 -10.201 -1.840 11.545 98 H GLY 31 HN GLY 31 -8.044 -7.067 9.865 99 HA2 GLY 31 HA2 GLY 31 -8.679 -9.376 10.543 100 HA3 GLY 31 HA1 GLY 31 -9.859 -9.307 9.244 101 H ARG 32 HN ARG 32 -8.538 -8.397 7.079 102 HA ARG 32 HA ARG 32 -6.242 -10.181 6.737 103 HB2 ARG 32 HB2 ARG 32 -8.809 -10.436 5.160 104 HB3 ARG 32 HB1 ARG 32 -7.297 -11.213 4.716 105 HG2 ARG 32 HG2 ARG 32 -8.817 -11.694 7.269 106 HG3 ARG 32 HG1 ARG 32 -8.852 -12.733 5.845 107 HD2 ARG 32 HD2 ARG 32 -6.425 -13.081 6.067 108 HD3 ARG 32 HD1 ARG 32 -6.434 -12.088 7.523 109 HE ARG 32 HE ARG 32 -8.253 -14.323 7.603 110 HH11 ARG 32 HH11 ARG 32 -5.017 -13.185 8.289 111 HH12 ARG 32 HH12 ARG 32 -4.659 -14.473 9.403 112 HH21 ARG 32 HH21 ARG 32 -7.809 -16.004 9.093 113 HH22 ARG 32 HH22 ARG 32 -6.258 -16.063 9.882 114 H HIS 33 HN HIS 33 -5.345 -10.064 4.520 115 HA HIS 33 HA HIS 33 -4.703 -7.598 3.531 116 HB2 HIS 33 HB2 HIS 33 -3.374 -9.258 2.715 117 HB3 HIS 33 HB1 HIS 33 -4.692 -10.402 2.577 118 HD1 HIS 33 HD1 HIS 33 -5.834 -10.645 0.340 119 HD2 HIS 33 HD2 HIS 33 -3.010 -7.592 0.401 120 HE1 HIS 33 HE1 HIS 33 -5.532 -9.956 -2.058 121 HE2 HIS 33 HE2 HIS 33 -3.640 -8.295 -2.014 122 H TRP 34 HN TRP 34 -5.667 -6.096 2.279 123 HA TRP 34 HA TRP 34 -8.231 -6.774 1.024 124 HB2 TRP 34 HB2 TRP 34 -8.025 -4.739 2.528 125 HB3 TRP 34 HB1 TRP 34 -7.003 -4.023 1.286 126 HD1 TRP 34 HD1 TRP 34 -10.628 -4.842 2.079 127 HE1 TRP 34 HE1 TRP 34 -12.150 -3.735 0.324 128 HE3 TRP 34 HE3 TRP 34 -7.052 -3.257 -1.221 129 HZ2 TRP 34 HZ2 TRP 34 -11.873 -2.380 -2.139 130 HZ3 TRP 34 HZ3 TRP 34 -7.768 -2.068 -3.252 131 HH2 TRP 34 HH2 TRP 34 -10.128 -1.639 -3.701 132 H GLY 35 HN GLY 35 -5.240 -4.977 0.250 133 HA2 GLY 35 HA2 GLY 35 -4.992 -6.251 -2.307 134 HA3 GLY 35 HA1 GLY 35 -5.577 -4.597 -2.443 135 H THR 36 HN THR 36 -3.256 -5.005 -3.668 136 HA THR 36 HA THR 36 -1.455 -3.411 -2.070 137 HB THR 36 HB THR 36 -0.909 -5.803 -1.480 138 HG1 THR 36 HG1 THR 36 0.603 -3.828 -1.699 139 HG21 THR 36 HG21 THR 36 0.096 -5.876 -4.325 140 HG22 THR 36 HG22 THR 36 -1.248 -6.821 -3.683 141 HG23 THR 36 HG23 THR 36 0.392 -7.105 -3.096 142 H ILE 37 HN ILE 37 -0.029 -2.190 -3.288 143 HA ILE 37 HA ILE 37 0.063 -2.710 -6.179 144 HB ILE 37 HB ILE 37 0.046 0.043 -4.903 145 HG12 ILE 37 HG12 ILE 37 -2.019 0.317 -6.426 146 HG13 ILE 37 HG11 ILE 37 -2.057 -1.449 -6.466 147 HG21 ILE 37 HG21 ILE 37 0.243 -0.795 -7.792 148 HG22 ILE 37 HG22 ILE 37 1.500 -0.020 -6.828 149 HG23 ILE 37 HG23 ILE 37 0.025 0.864 -7.233 150 HD11 ILE 37 HD11 ILE 37 -2.304 -1.490 -4.041 151 HD12 ILE 37 HD12 ILE 37 -3.584 -0.550 -4.807 152 HD13 ILE 37 HD13 ILE 37 -2.248 0.272 -4.005 153 H ARG 38 HN ARG 38 2.111 -2.988 -6.918 154 HA ARG 38 HA ARG 38 4.255 -2.637 -4.983 155 HB2 ARG 38 HB2 ARG 38 4.035 -4.770 -6.208 156 HB3 ARG 38 HB1 ARG 38 4.324 -3.920 -7.720 157 HG2 ARG 38 HG2 ARG 38 6.558 -3.461 -7.161 158 HG3 ARG 38 HG1 ARG 38 6.298 -3.873 -5.465 159 HD2 ARG 38 HD2 ARG 38 7.513 -5.656 -6.545 160 HD3 ARG 38 HD1 ARG 38 5.900 -6.217 -6.126 161 HE ARG 38 HE ARG 38 5.783 -5.296 -8.750 162 HH11 ARG 38 HH11 ARG 38 7.276 -7.913 -6.942 163 HH12 ARG 38 HH12 ARG 38 7.467 -8.937 -8.330 164 HH21 ARG 38 HH21 ARG 38 6.054 -6.636 -10.582 165 HH22 ARG 38 HH22 ARG 38 6.802 -8.198 -10.407 166 H LYS 39 HN LYS 39 4.804 -0.557 -4.888 167 HA LYS 39 HA LYS 39 5.957 0.643 -7.315 168 HB2 LYS 39 HB2 LYS 39 4.448 2.050 -5.097 169 HB3 LYS 39 HB1 LYS 39 5.359 2.877 -6.350 170 HG2 LYS 39 HG2 LYS 39 2.915 1.161 -6.727 171 HG3 LYS 39 HG1 LYS 39 3.027 2.912 -6.906 172 HD2 LYS 39 HD2 LYS 39 4.594 2.614 -8.769 173 HD3 LYS 39 HD1 LYS 39 4.455 0.863 -8.596 174 HE2 LYS 39 HE2 LYS 39 2.996 1.401 -10.344 175 HE3 LYS 39 HE1 LYS 39 1.953 1.200 -8.936 176 HZ1 LYS 39 HZ1 LYS 39 1.321 3.146 -10.186 177 HZ2 LYS 39 HZ2 LYS 39 2.890 3.782 -10.067 178 HZ3 LYS 39 HZ3 LYS 39 1.935 3.619 -8.676 179 H LYS 40 HN LYS 40 7.802 2.010 -6.933 180 HA LYS 40 HA LYS 40 9.574 0.902 -5.025 181 HB2 LYS 40 HB2 LYS 40 9.890 3.480 -6.567 182 HB3 LYS 40 HB1 LYS 40 11.174 2.587 -5.768 183 HG2 LYS 40 HG2 LYS 40 10.456 0.645 -7.322 184 HG3 LYS 40 HG1 LYS 40 9.685 1.920 -8.268 185 HD2 LYS 40 HD2 LYS 40 11.924 1.475 -9.101 186 HD3 LYS 40 HD1 LYS 40 11.839 3.096 -8.407 187 HE2 LYS 40 HE2 LYS 40 12.878 2.316 -6.366 188 HE3 LYS 40 HE1 LYS 40 12.868 0.658 -6.959 189 HZ1 LYS 40 HZ1 LYS 40 15.043 1.600 -7.235 190 HZ2 LYS 40 HZ2 LYS 40 14.419 2.927 -8.086 191 HZ3 LYS 40 HZ3 LYS 40 14.352 1.379 -8.764 192 H ALA 41 HN ALA 41 10.773 2.096 -3.390 193 HA ALA 41 HA ALA 41 9.149 3.300 -1.463 194 HB1 ALA 41 HB1 ALA 41 12.146 3.388 -1.782 195 HB2 ALA 41 HB2 ALA 41 11.214 2.195 -0.880 196 HB3 ALA 41 HB3 ALA 41 11.268 3.867 -0.329 197 H GLY 42 HN GLY 42 8.853 5.401 -0.821 198 HA2 GLY 42 HA2 GLY 42 9.016 7.731 -0.946 199 HA3 GLY 42 HA1 GLY 42 10.030 7.560 -2.371 200 H TRP 43 HN TRP 43 8.078 5.708 -3.622 201 HA TRP 43 HA TRP 43 6.497 7.713 -4.921 202 HB2 TRP 43 HB2 TRP 43 6.611 4.708 -5.233 203 HB3 TRP 43 HB1 TRP 43 5.606 5.756 -6.229 204 HD1 TRP 43 HD1 TRP 43 9.372 5.307 -5.382 205 HE1 TRP 43 HE1 TRP 43 10.729 5.947 -7.472 206 HE3 TRP 43 HE3 TRP 43 5.540 6.828 -8.407 207 HZ2 TRP 43 HZ2 TRP 43 10.238 6.966 -10.064 208 HZ3 TRP 43 HZ3 TRP 43 6.067 7.618 -10.674 209 HH2 TRP 43 HH2 TRP 43 8.371 7.685 -11.482 210 H ALA 44 HN ALA 44 4.696 8.492 -4.130 211 HA ALA 44 HA ALA 44 3.196 7.114 -2.116 212 HB1 ALA 44 HB1 ALA 44 3.503 9.600 -2.216 213 HB2 ALA 44 HB2 ALA 44 1.843 9.055 -2.014 214 HB3 ALA 44 HB3 ALA 44 2.396 9.615 -3.591 215 H VAL 45 HN VAL 45 1.760 5.606 -2.510 216 HA VAL 45 HA VAL 45 0.695 5.394 -5.241 217 HB VAL 45 HB VAL 45 2.066 3.497 -4.326 218 HG11 VAL 45 HG11 VAL 45 -0.332 3.052 -2.563 219 HG12 VAL 45 HG12 VAL 45 1.264 3.584 -2.022 220 HG13 VAL 45 HG13 VAL 45 1.058 1.978 -2.730 221 HG21 VAL 45 HG21 VAL 45 0.498 1.733 -5.097 222 HG22 VAL 45 HG22 VAL 45 0.627 3.107 -6.194 223 HG23 VAL 45 HG23 VAL 45 -0.781 2.951 -5.142 224 H ARG 46 HN ARG 46 -1.502 4.725 -5.511 225 HA ARG 46 HA ARG 46 -3.196 5.976 -3.503 226 HB2 ARG 46 HB2 ARG 46 -4.788 6.337 -5.172 227 HB3 ARG 46 HB1 ARG 46 -3.258 6.585 -5.992 228 HG2 ARG 46 HG2 ARG 46 -4.961 4.106 -6.138 229 HG3 ARG 46 HG1 ARG 46 -4.841 5.353 -7.374 230 HD2 ARG 46 HD2 ARG 46 -2.288 4.779 -7.291 231 HD3 ARG 46 HD1 ARG 46 -2.844 3.264 -6.571 232 HE ARG 46 HE ARG 46 -3.546 4.241 -9.261 233 HH11 ARG 46 HH11 ARG 46 -3.283 1.638 -6.933 234 HH12 ARG 46 HH12 ARG 46 -3.554 0.385 -8.109 235 HH21 ARG 46 HH21 ARG 46 -3.935 2.624 -10.799 236 HH22 ARG 46 HH22 ARG 46 -3.965 0.954 -10.308 237 H PHE 47 HN PHE 47 -4.563 4.926 -2.268 238 HA PHE 47 HA PHE 47 -5.337 2.179 -2.992 239 HB2 PHE 47 HB2 PHE 47 -5.057 3.388 -0.227 240 HB3 PHE 47 HB1 PHE 47 -5.735 1.799 -0.560 241 HD1 PHE 47 HD2 PHE 47 -4.225 0.101 -1.728 242 HD2 PHE 47 HD1 PHE 47 -2.789 3.651 0.121 243 HE1 PHE 47 HE2 PHE 47 -1.984 -0.897 -1.563 244 HE2 PHE 47 HE1 PHE 47 -0.547 2.657 0.293 245 HZ PHE 47 HZ PHE 47 -0.144 0.382 -0.547 246 H TYR 48 HN TYR 48 -7.462 1.874 -3.286 247 HA TYR 48 HA TYR 48 -9.346 3.824 -2.222 248 HB2 TYR 48 HB2 TYR 48 -10.406 4.065 -4.488 249 HB3 TYR 48 HB1 TYR 48 -8.814 4.805 -4.360 250 HD1 TYR 48 HD2 TYR 48 -10.703 1.965 -5.763 251 HD2 TYR 48 HD1 TYR 48 -6.982 4.019 -5.680 252 HE1 TYR 48 HE2 TYR 48 -9.958 0.682 -7.720 253 HE2 TYR 48 HE1 TYR 48 -6.225 2.743 -7.640 254 HH TYR 48 HH TYR 48 -8.366 0.818 -9.511 255 H GLU 49 HN GLU 49 -11.488 3.103 -2.203 256 HA GLU 49 HA GLU 49 -11.730 0.189 -2.215 257 HB2 GLU 49 HB2 GLU 49 -13.839 0.580 -0.994 258 HB3 GLU 49 HB1 GLU 49 -12.474 1.358 -0.196 259 HG2 GLU 49 HG2 GLU 49 -13.144 3.501 -0.905 260 HG3 GLU 49 HG1 GLU 49 -14.266 2.841 -2.092 261 H GLU 50 HN GLU 50 -12.943 -0.886 -3.669 262 HA GLU 50 HA GLU 50 -14.987 0.647 -5.111 263 HB2 GLU 50 HB2 GLU 50 -13.292 -1.611 -6.210 264 HB3 GLU 50 HB1 GLU 50 -14.690 -0.929 -7.032 265 HG2 GLU 50 HG2 GLU 50 -13.488 1.298 -6.918 266 HG3 GLU 50 HG1 GLU 50 -12.061 0.387 -6.430 267 H LYS 51 HN LYS 51 -16.723 0.091 -3.932 268 HA LYS 51 HA LYS 51 -17.149 -2.728 -3.255 269 HB2 LYS 51 HB2 LYS 51 -18.826 -0.319 -2.505 270 HB3 LYS 51 HB1 LYS 51 -18.999 -1.944 -1.868 271 HG2 LYS 51 HG2 LYS 51 -16.496 -1.537 -1.108 272 HG3 LYS 51 HG1 LYS 51 -17.001 0.152 -1.213 273 HD2 LYS 51 HD2 LYS 51 -18.948 -0.387 0.228 274 HD3 LYS 51 HD1 LYS 51 -18.321 -2.026 0.402 275 HE2 LYS 51 HE2 LYS 51 -17.578 -0.958 2.324 276 HE3 LYS 51 HE1 LYS 51 -16.179 -0.893 1.257 277 HZ1 LYS 51 HZ1 LYS 51 -16.706 1.380 0.706 278 HZ2 LYS 51 HZ2 LYS 51 -16.610 1.219 2.394 279 HZ3 LYS 51 HZ3 LYS 51 -18.123 1.321 1.640 280 HA PRO 52 HA PRO 52 -19.933 -3.505 -6.593 281 HB2 PRO 52 HB2 PRO 52 -21.910 -4.497 -4.608 282 HB3 PRO 52 HB1 PRO 52 -21.226 -5.315 -6.017 283 HG2 PRO 52 HG2 PRO 52 -20.454 -5.957 -3.544 284 HG3 PRO 52 HG1 PRO 52 -19.302 -5.932 -4.892 285 HD2 PRO 52 HD2 PRO 52 -19.687 -3.958 -2.688 286 HD3 PRO 52 HD1 PRO 52 -18.192 -4.484 -3.487 287 H GLY 53 HN GLY 53 -20.884 -1.812 -7.532 288 HA2 GLY 53 HA2 GLY 53 -22.721 -0.444 -8.004 289 HA3 GLY 53 HA1 GLY 53 -23.348 -0.773 -6.397 290 H GLN 54 HN GLN 54 -20.349 -0.041 -5.644 291 HA GLN 54 HA GLN 54 -20.985 2.819 -5.314 292 HB2 GLN 54 HB2 GLN 54 -19.196 1.077 -3.605 293 HB3 GLN 54 HB1 GLN 54 -19.625 2.753 -3.288 294 HG2 GLN 54 HG2 GLN 54 -21.956 2.112 -2.991 295 HG3 GLN 54 HG1 GLN 54 -21.543 0.432 -3.337 296 HE21 GLN 54 HE21 GLN 54 -22.221 -0.324 -1.367 297 HE22 GLN 54 HE22 GLN 54 -21.363 0.002 0.106 298 HA PRO 55 HA PRO 55 -17.563 3.582 -8.043 299 HB2 PRO 55 HB2 PRO 55 -17.648 6.292 -6.866 300 HB3 PRO 55 HB1 PRO 55 -17.807 5.787 -8.552 301 HG2 PRO 55 HG2 PRO 55 -19.926 6.642 -7.164 302 HG3 PRO 55 HG1 PRO 55 -20.071 5.309 -8.325 303 HD2 PRO 55 HD2 PRO 55 -19.877 5.204 -5.332 304 HD3 PRO 55 HD1 PRO 55 -20.925 4.272 -6.424 305 H LYS 56 HN LYS 56 -15.391 4.093 -7.971 306 HA LYS 56 HA LYS 56 -14.049 3.216 -5.676 307 HB2 LYS 56 HB2 LYS 56 -11.979 3.699 -6.841 308 HB3 LYS 56 HB1 LYS 56 -13.118 2.921 -7.926 309 HG2 LYS 56 HG2 LYS 56 -12.943 5.892 -7.911 310 HG3 LYS 56 HG1 LYS 56 -11.667 4.966 -8.697 311 HD2 LYS 56 HD2 LYS 56 -14.614 4.925 -9.353 312 HD3 LYS 56 HD1 LYS 56 -13.318 5.599 -10.328 313 HE2 LYS 56 HE2 LYS 56 -13.534 2.686 -9.590 314 HE3 LYS 56 HE1 LYS 56 -14.124 3.374 -11.102 315 HZ1 LYS 56 HZ1 LYS 56 -11.301 3.539 -10.199 316 HZ2 LYS 56 HZ2 LYS 56 -11.918 3.989 -11.712 317 HZ3 LYS 56 HZ3 LYS 56 -11.894 2.356 -11.256 318 H ARG 57 HN ARG 57 -13.351 4.198 -3.938 319 HA ARG 57 HA ARG 57 -13.083 7.127 -3.957 320 HB2 ARG 57 HB2 ARG 57 -15.219 6.355 -2.887 321 HB3 ARG 57 HB1 ARG 57 -14.245 5.511 -1.692 322 HG2 ARG 57 HG2 ARG 57 -13.299 7.607 -0.935 323 HG3 ARG 57 HG1 ARG 57 -14.195 8.481 -2.183 324 HD2 ARG 57 HD2 ARG 57 -15.312 6.953 0.149 325 HD3 ARG 57 HD1 ARG 57 -15.394 8.693 -0.124 326 HE ARG 57 HE ARG 57 -16.582 7.358 -2.299 327 HH11 ARG 57 HH11 ARG 57 -17.207 7.993 1.088 328 HH12 ARG 57 HH12 ARG 57 -18.929 7.925 0.903 329 HH21 ARG 57 HH21 ARG 57 -18.815 7.227 -2.529 330 HH22 ARG 57 HH22 ARG 57 -19.858 7.457 -1.156 331 H LEU 58 HN LEU 58 -11.435 7.950 -2.664 332 HA LEU 58 HA LEU 58 -9.231 6.168 -2.386 333 HB2 LEU 58 HB2 LEU 58 -9.669 9.075 -1.870 334 HB3 LEU 58 HB1 LEU 58 -8.226 8.295 -1.252 335 HG LEU 58 HG LEU 58 -9.056 8.460 -4.151 336 HD11 LEU 58 HD11 LEU 58 -6.786 9.749 -2.643 337 HD12 LEU 58 HD12 LEU 58 -8.212 10.565 -3.288 338 HD13 LEU 58 HD13 LEU 58 -7.043 9.832 -4.386 339 HD21 LEU 58 HD21 LEU 58 -7.971 6.391 -3.921 340 HD22 LEU 58 HD22 LEU 58 -6.798 7.034 -2.774 341 HD23 LEU 58 HD23 LEU 58 -6.717 7.500 -4.477 342 H VAL 59 HN VAL 59 -8.490 5.124 -0.696 343 HA VAL 59 HA VAL 59 -9.823 5.600 1.891 344 HB VAL 59 HB VAL 59 -9.465 3.289 2.475 345 HG11 VAL 59 HG11 VAL 59 -10.603 3.393 -0.309 346 HG12 VAL 59 HG12 VAL 59 -11.457 3.917 1.139 347 HG13 VAL 59 HG13 VAL 59 -10.984 2.228 0.961 348 HG21 VAL 59 HG21 VAL 59 -8.489 1.673 0.937 349 HG22 VAL 59 HG22 VAL 59 -7.331 2.947 1.326 350 HG23 VAL 59 HG23 VAL 59 -8.167 2.958 -0.228 351 H ALA 60 HN ALA 60 -6.864 5.514 0.185 352 HA ALA 60 HA ALA 60 -5.491 6.826 2.242 353 HB1 ALA 60 HB1 ALA 60 -4.656 3.964 1.839 354 HB2 ALA 60 HB2 ALA 60 -5.453 4.623 3.262 355 HB3 ALA 60 HB3 ALA 60 -3.833 5.161 2.840 356 H ILE 61 HN ILE 61 -3.867 7.916 1.388 357 HA ILE 61 HA ILE 61 -2.593 6.859 -1.055 358 HB ILE 61 HB ILE 61 -2.452 9.680 0.051 359 HG12 ILE 61 HG12 ILE 61 -3.485 10.141 -2.300 360 HG13 ILE 61 HG11 ILE 61 -3.977 8.453 -2.230 361 HG21 ILE 61 HG21 ILE 61 -1.305 8.644 -2.533 362 HG22 ILE 61 HG22 ILE 61 -0.375 8.804 -1.047 363 HG23 ILE 61 HG23 ILE 61 -1.071 10.237 -1.809 364 HD11 ILE 61 HD11 ILE 61 -4.760 10.671 -0.361 365 HD12 ILE 61 HD12 ILE 61 -5.112 8.970 -0.075 366 HD13 ILE 61 HD13 ILE 61 -5.795 9.784 -1.481 367 H CYS 62 HN CYS 62 -0.749 5.790 -0.622 368 HA CYS 62 HA CYS 62 0.648 6.516 1.856 369 HB2 CYS 62 HB2 CYS 62 -1.013 4.583 2.129 370 HB3 CYS 62 HB1 CYS 62 0.102 3.639 1.143 371 H LYS 63 HN LYS 63 2.797 6.072 1.942 372 HA LYS 63 HA LYS 63 4.102 4.775 -0.303 373 HB2 LYS 63 HB2 LYS 63 5.734 6.647 -0.511 374 HB3 LYS 63 HB1 LYS 63 4.115 7.048 -1.062 375 HG2 LYS 63 HG2 LYS 63 3.699 8.401 0.808 376 HG3 LYS 63 HG1 LYS 63 5.083 7.743 1.688 377 HD2 LYS 63 HD2 LYS 63 6.609 8.939 0.459 378 HD3 LYS 63 HD1 LYS 63 5.527 9.093 -0.925 379 HE2 LYS 63 HE2 LYS 63 4.148 10.674 0.341 380 HE3 LYS 63 HE1 LYS 63 5.231 10.510 1.725 381 HZ1 LYS 63 HZ1 LYS 63 5.665 12.505 0.379 382 HZ2 LYS 63 HZ2 LYS 63 6.050 11.520 -0.948 383 HZ3 LYS 63 HZ3 LYS 63 7.008 11.469 0.453 384 H ASN 64 HN ASN 64 6.456 4.544 0.150 385 HA ASN 64 HA ASN 64 6.733 3.548 2.833 386 HB2 ASN 64 HB2 ASN 64 7.659 2.265 0.966 387 HB3 ASN 64 HB1 ASN 64 8.701 3.618 0.534 388 HD21 ASN 64 HD21 ASN 64 10.529 4.020 1.702 389 HD22 ASN 64 HD22 ASN 64 11.163 2.894 2.863 390 H ALA 65 HN ALA 65 7.869 4.414 4.459 391 HA ALA 65 HA ALA 65 8.043 7.056 4.895 392 HB1 ALA 65 HB1 ALA 65 10.055 5.094 5.969 393 HB2 ALA 65 HB2 ALA 65 8.414 5.290 6.581 394 HB3 ALA 65 HB3 ALA 65 9.563 6.619 6.705 395 H SER 66 HN SER 66 10.888 5.164 3.907 396 HA SER 66 HA SER 66 12.275 7.619 3.196 397 HB2 SER 66 HB2 SER 66 13.546 5.970 4.467 398 HB3 SER 66 HB1 SER 66 13.193 4.728 3.269 399 HG SER 66 HG SER 66 14.735 7.094 2.859 400 HA PRO 67 HA PRO 67 11.254 7.006 -1.107 401 HB2 PRO 67 HB2 PRO 67 12.902 8.869 -2.148 402 HB3 PRO 67 HB1 PRO 67 11.428 9.296 -1.271 403 HG2 PRO 67 HG2 PRO 67 14.263 9.268 -0.307 404 HG3 PRO 67 HG1 PRO 67 13.002 10.485 -0.038 405 HD2 PRO 67 HD2 PRO 67 13.656 8.596 1.807 406 HD3 PRO 67 HD1 PRO 67 12.026 9.285 1.660 407 H VAL 68 HN VAL 68 14.071 6.142 0.434 408 HA VAL 68 HA VAL 68 15.321 5.152 -2.044 409 HB VAL 68 HB VAL 68 16.697 5.408 0.618 410 HG11 VAL 68 HG11 VAL 68 17.938 5.382 -2.109 411 HG12 VAL 68 HG12 VAL 68 17.505 3.892 -1.281 412 HG13 VAL 68 HG13 VAL 68 18.674 4.995 -0.550 413 HG21 VAL 68 HG21 VAL 68 17.711 7.480 -0.223 414 HG22 VAL 68 HG22 VAL 68 15.964 7.634 -0.046 415 HG23 VAL 68 HG23 VAL 68 16.671 7.406 -1.646 416 H HIS 69 HN HIS 69 15.443 4.222 1.386 417 HA HIS 69 HA HIS 69 15.334 1.420 0.524 418 HB2 HIS 69 HB2 HIS 69 16.024 2.550 3.254 419 HB3 HIS 69 HB1 HIS 69 16.177 0.873 2.753 420 HD1 HIS 69 HD1 HIS 69 18.079 3.898 3.090 421 HD2 HIS 69 HD2 HIS 69 18.167 0.597 0.559 422 HE1 HIS 69 HE1 HIS 69 20.374 3.897 2.049 423 HE2 HIS 69 HE2 HIS 69 20.462 1.785 0.666 424 H CYS 70 HN CYS 70 14.084 -0.061 2.068 425 HA CYS 70 HA CYS 70 11.446 1.173 2.395 426 HB2 CYS 70 HB2 CYS 70 11.685 -0.834 0.929 427 HB3 CYS 70 HB1 CYS 70 12.164 -1.763 2.344 428 HG CYS 70 HG CYS 70 9.259 -0.162 2.740 429 H ASN 71 HN ASN 71 10.432 1.335 4.293 430 HA ASN 71 HA ASN 71 11.600 0.036 6.666 431 HB2 ASN 71 HB2 ASN 71 10.726 2.930 6.462 432 HB3 ASN 71 HB1 ASN 71 11.157 2.123 7.961 433 HD21 ASN 71 HD21 ASN 71 12.268 4.472 6.603 434 HD22 ASN 71 HD22 ASN 71 13.960 4.137 6.407 435 H TYR 72 HN TYR 72 9.042 2.418 6.371 436 HA TYR 72 HA TYR 72 6.980 0.396 6.843 437 HB2 TYR 72 HB2 TYR 72 7.290 2.955 8.428 438 HB3 TYR 72 HB1 TYR 72 5.916 1.868 8.526 439 HD1 TYR 72 HD2 TYR 72 6.125 -0.311 9.611 440 HD2 TYR 72 HD1 TYR 72 9.379 2.424 9.518 441 HE1 TYR 72 HE2 TYR 72 7.241 -1.586 11.391 442 HE2 TYR 72 HE1 TYR 72 10.504 1.158 11.300 443 HH TYR 72 HH TYR 72 9.518 -1.954 12.232 444 H LEU 73 HN LEU 73 4.765 1.617 6.757 445 HA LEU 73 HA LEU 73 4.860 3.258 4.323 446 HB2 LEU 73 HB2 LEU 73 2.676 1.554 5.505 447 HB3 LEU 73 HB1 LEU 73 2.415 2.646 4.161 448 HG LEU 73 HG LEU 73 4.152 0.185 4.203 449 HD11 LEU 73 HD11 LEU 73 2.647 -0.531 2.405 450 HD12 LEU 73 HD12 LEU 73 1.718 0.961 2.594 451 HD13 LEU 73 HD13 LEU 73 1.774 -0.220 3.907 452 HD21 LEU 73 HD21 LEU 73 4.750 0.696 1.907 453 HD22 LEU 73 HD22 LEU 73 5.281 1.995 2.976 454 HD23 LEU 73 HD23 LEU 73 3.838 2.202 1.984 455 H LYS 74 HN LYS 74 4.293 5.299 4.367 456 HA LYS 74 HA LYS 74 2.819 6.326 6.701 457 HB2 LYS 74 HB2 LYS 74 5.035 7.385 5.087 458 HB3 LYS 74 HB1 LYS 74 3.731 8.538 5.336 459 HG2 LYS 74 HG2 LYS 74 5.486 8.737 7.024 460 HG3 LYS 74 HG1 LYS 74 3.928 8.308 7.730 461 HD2 LYS 74 HD2 LYS 74 4.654 5.947 7.818 462 HD3 LYS 74 HD1 LYS 74 6.229 6.425 7.184 463 HE2 LYS 74 HE2 LYS 74 6.642 7.792 9.125 464 HE3 LYS 74 HE1 LYS 74 5.019 7.483 9.734 465 HZ1 LYS 74 HZ1 LYS 74 5.601 5.138 9.977 466 HZ2 LYS 74 HZ2 LYS 74 6.656 6.125 10.866 467 HZ3 LYS 74 HZ3 LYS 74 7.166 5.453 9.399 468 H CYS 75 HN CYS 75 0.722 6.495 6.289 469 HA CYS 75 HA CYS 75 -0.096 7.052 3.511 470 HB2 CYS 75 HB2 CYS 75 -1.931 5.761 5.478 471 HB3 CYS 75 HB1 CYS 75 -1.867 5.587 3.731 472 H THR 76 HN THR 76 -1.788 8.450 3.119 473 HA THR 76 HA THR 76 -2.832 9.975 5.416 474 HB THR 76 HB THR 76 -1.220 11.318 4.060 475 HG1 THR 76 HG1 THR 76 -3.294 12.175 5.078 476 HG21 THR 76 HG21 THR 76 -3.249 10.956 1.858 477 HG22 THR 76 HG22 THR 76 -1.608 10.308 1.880 478 HG23 THR 76 HG23 THR 76 -1.867 12.052 1.813 479 H ASN 77 HN ASN 77 -5.004 10.900 5.007 480 HA ASN 77 HA ASN 77 -7.180 10.796 4.357 481 HB2 ASN 77 HB2 ASN 77 -5.920 9.660 1.873 482 HB3 ASN 77 HB1 ASN 77 -7.668 9.726 2.055 483 HD21 ASN 77 HD21 ASN 77 -7.902 11.140 0.358 484 HD22 ASN 77 HD22 ASN 77 -7.433 12.805 0.456 485 H LEU 78 HN LEU 78 -6.251 8.841 6.097 486 HA LEU 78 HA LEU 78 -6.876 6.197 5.262 487 HB2 LEU 78 HB2 LEU 78 -6.693 7.395 8.024 488 HB3 LEU 78 HB1 LEU 78 -6.835 5.679 7.696 489 HG LEU 78 HG LEU 78 -4.538 7.425 6.805 490 HD11 LEU 78 HD11 LEU 78 -3.246 6.204 8.496 491 HD12 LEU 78 HD12 LEU 78 -4.724 5.407 9.036 492 HD13 LEU 78 HD13 LEU 78 -4.548 7.151 9.215 493 HD21 LEU 78 HD21 LEU 78 -3.466 5.340 6.177 494 HD22 LEU 78 HD22 LEU 78 -4.993 5.523 5.315 495 HD23 LEU 78 HD23 LEU 78 -4.886 4.430 6.696 496 H ALA 79 HN ALA 79 -8.766 5.186 5.088 497 HA ALA 79 HA ALA 79 -11.163 6.675 5.849 498 HB1 ALA 79 HB1 ALA 79 -12.375 5.216 4.346 499 HB2 ALA 79 HB2 ALA 79 -10.932 4.236 4.094 500 HB3 ALA 79 HB3 ALA 79 -10.971 5.904 3.532 501 H ALA 80 HN ALA 80 -10.492 6.053 8.120 502 HA ALA 80 HA ALA 80 -11.129 5.095 10.064 503 HB1 ALA 80 HB1 ALA 80 -13.269 3.999 10.180 504 HB2 ALA 80 HB2 ALA 80 -13.272 3.739 8.436 505 HB3 ALA 80 HB3 ALA 80 -13.377 5.376 9.081 506 H GLY 81 HN GLY 81 -12.297 2.273 8.361 507 HA2 GLY 81 HA2 GLY 81 -10.434 0.622 9.846 508 HA3 GLY 81 HA1 GLY 81 -11.764 0.054 8.846 509 H PHE 82 HN PHE 82 -10.622 2.022 6.749 510 HA PHE 82 HA PHE 82 -8.885 0.058 5.506 511 HB2 PHE 82 HB2 PHE 82 -9.955 2.695 4.492 512 HB3 PHE 82 HB1 PHE 82 -8.978 1.582 3.545 513 HD1 PHE 82 HD2 PHE 82 -9.887 -0.608 2.885 514 HD2 PHE 82 HD1 PHE 82 -12.269 2.317 4.857 515 HE1 PHE 82 HE2 PHE 82 -11.920 -1.798 2.180 516 HE2 PHE 82 HE1 PHE 82 -14.309 1.128 4.155 517 HZ PHE 82 HZ PHE 82 -14.134 -0.931 2.815 518 H SER 83 HN SER 83 -6.848 0.066 6.134 519 HA SER 83 HA SER 83 -5.304 2.510 5.818 520 HB2 SER 83 HB2 SER 83 -5.203 0.863 8.360 521 HB3 SER 83 HB1 SER 83 -4.173 2.243 7.983 522 HG SER 83 HG SER 83 -6.819 2.825 7.711 523 H ALA 84 HN ALA 84 -2.879 1.883 6.050 524 HA ALA 84 HA ALA 84 -2.607 -0.573 4.477 525 HB1 ALA 84 HB1 ALA 84 -0.477 0.347 3.708 526 HB2 ALA 84 HB2 ALA 84 -0.688 1.740 4.768 527 HB3 ALA 84 HB3 ALA 84 -1.799 1.481 3.423 528 H GLY 85 HN GLY 85 -0.575 -1.815 4.797 529 HA2 GLY 85 HA2 GLY 85 -0.103 -2.062 7.708 530 HA3 GLY 85 HA1 GLY 85 -0.247 -3.438 6.626 531 H THR 86 HN THR 86 1.441 -3.662 4.958 532 HA THR 86 HA THR 86 3.976 -2.391 5.495 533 HB THR 86 HB THR 86 3.772 -4.134 7.285 534 HG1 THR 86 HG1 THR 86 5.860 -4.973 6.934 535 HG21 THR 86 HG21 THR 86 2.481 -5.799 6.064 536 HG22 THR 86 HG22 THR 86 3.986 -6.499 6.660 537 HG23 THR 86 HG23 THR 86 3.832 -6.061 4.958 538 H SER 87 HN SER 87 5.663 -4.164 4.228 539 HA SER 87 HA SER 87 4.386 -4.690 1.629 540 HB2 SER 87 HB2 SER 87 7.091 -3.380 2.017 541 HB3 SER 87 HB1 SER 87 6.340 -3.775 0.469 542 HG SER 87 HG SER 87 5.084 -2.104 2.368 543 H THR 88 HN THR 88 5.220 -6.449 0.476 544 HA THR 88 HA THR 88 7.230 -8.104 1.844 545 HB THR 88 HB THR 88 5.829 -10.103 1.478 546 HG1 THR 88 HG1 THR 88 4.063 -9.901 0.363 547 HG21 THR 88 HG21 THR 88 4.692 -7.959 3.265 548 HG22 THR 88 HG22 THR 88 5.878 -9.193 3.692 549 HG23 THR 88 HG23 THR 88 4.214 -9.655 3.332 550 H ASP 89 HN ASP 89 6.723 -10.354 0.181 551 HA ASP 89 HA ASP 89 7.162 -11.329 -1.791 552 HB2 ASP 89 HB2 ASP 89 5.201 -10.118 -2.572 553 HB3 ASP 89 HB1 ASP 89 6.192 -8.713 -2.947 554 H VAL 90 HN VAL 90 8.051 -8.045 -2.775 555 HA VAL 90 HA VAL 90 10.361 -8.984 -4.094 556 HB VAL 90 HB VAL 90 10.889 -6.418 -4.129 557 HG11 VAL 90 HG11 VAL 90 9.368 -6.149 -6.010 558 HG12 VAL 90 HG12 VAL 90 8.432 -7.543 -5.473 559 HG13 VAL 90 HG13 VAL 90 10.089 -7.759 -6.034 560 HG21 VAL 90 HG21 VAL 90 8.102 -6.560 -3.021 561 HG22 VAL 90 HG22 VAL 90 8.657 -5.182 -3.966 562 HG23 VAL 90 HG23 VAL 90 9.466 -5.595 -2.452 563 H LEU 91 HN LEU 91 9.875 -7.295 -1.021 564 HA LEU 91 HA LEU 91 12.731 -7.367 -0.489 565 HB2 LEU 91 HB2 LEU 91 12.200 -6.093 1.528 566 HB3 LEU 91 HB1 LEU 91 11.553 -5.340 0.087 567 HG LEU 91 HG LEU 91 9.378 -6.706 0.842 568 HD11 LEU 91 HD11 LEU 91 10.810 -6.089 3.422 569 HD12 LEU 91 HD12 LEU 91 10.414 -7.695 2.809 570 HD13 LEU 91 HD13 LEU 91 9.125 -6.585 3.272 571 HD21 LEU 91 HD21 LEU 91 8.605 -4.632 1.892 572 HD22 LEU 91 HD22 LEU 91 9.479 -4.332 0.389 573 HD23 LEU 91 HD23 LEU 91 10.268 -4.050 1.940 574 H SER 92 HN SER 92 9.835 -9.063 0.461 575 HA SER 92 HA SER 92 11.121 -10.285 2.755 576 HB2 SER 92 HB2 SER 92 8.728 -9.567 2.786 577 HB3 SER 92 HB1 SER 92 8.379 -10.816 1.593 578 HG SER 92 HG SER 92 9.611 -11.392 4.084 579 H SER 93 HN SER 93 9.991 -11.228 -0.463 580 HA SER 93 HA SER 93 10.366 -13.032 -1.770 581 HB2 SER 93 HB2 SER 93 12.753 -12.348 -1.231 582 HB3 SER 93 HB1 SER 93 12.756 -13.626 -0.018 583 HG SER 93 HG SER 93 12.753 -15.126 -1.549 584 H GLY 94 HN GLY 94 8.532 -14.179 -1.217 585 HA2 GLY 94 HA2 GLY 94 8.061 -16.564 -0.779 586 HA3 GLY 94 HA1 GLY 94 8.965 -16.377 0.718 587 H THR 95 HN THR 95 6.526 -14.285 -0.745 588 HA THR 95 HA THR 95 4.741 -14.770 1.550 589 HB THR 95 HB THR 95 4.198 -12.341 1.536 590 HG1 THR 95 HG1 THR 95 5.760 -12.430 -0.665 591 HG21 THR 95 HG21 THR 95 5.623 -12.635 3.275 592 HG22 THR 95 HG22 THR 95 6.681 -11.650 2.271 593 HG23 THR 95 HG23 THR 95 6.854 -13.406 2.286 594 H VAL 96 HN VAL 96 2.562 -13.547 1.006 595 HA VAL 96 HA VAL 96 1.966 -13.844 -1.859 596 HB VAL 96 HB VAL 96 -0.408 -14.212 -1.192 597 HG11 VAL 96 HG11 VAL 96 -0.101 -16.539 -0.446 598 HG12 VAL 96 HG12 VAL 96 1.595 -16.187 -0.114 599 HG13 VAL 96 HG13 VAL 96 0.985 -16.101 -1.766 600 HG21 VAL 96 HG21 VAL 96 -0.923 -14.845 1.113 601 HG22 VAL 96 HG22 VAL 96 -0.339 -13.183 1.024 602 HG23 VAL 96 HG23 VAL 96 0.731 -14.466 1.590 603 H GLY 97 HN GLY 97 1.147 -12.119 -2.893 604 HA2 GLY 97 HA2 GLY 97 0.709 -9.679 -1.310 605 HA3 GLY 97 HA1 GLY 97 1.051 -9.734 -3.037 606 H SER 98 HN SER 98 -0.596 -10.179 -4.485 607 HA SER 98 HA SER 98 -3.268 -10.589 -3.341 608 HB2 SER 98 HB2 SER 98 -2.567 -8.716 -5.617 609 HB3 SER 98 HB1 SER 98 -4.207 -9.130 -5.125 610 HG SER 98 HG SER 98 -3.346 -7.125 -4.240 Start of MODEL 4 1 H1 SER 19 HT1 SER 19 21.902 -0.733 -2.880 2 H2 SER 19 HT2 SER 19 20.339 -1.381 -2.947 3 H3 SER 19 HT3 SER 19 20.865 -0.588 -1.547 4 HA SER 19 HA SER 19 20.983 1.494 -2.696 5 HB2 SER 19 HB2 SER 19 20.056 1.576 -5.053 6 HB3 SER 19 HB1 SER 19 21.620 0.777 -4.896 7 HG SER 19 HG SER 19 20.678 -0.839 -5.859 8 H PHE 20 HN PHE 20 18.767 2.512 -3.910 9 HA PHE 20 HA PHE 20 16.712 2.226 -2.057 10 HB2 PHE 20 HB2 PHE 20 15.248 3.316 -3.798 11 HB3 PHE 20 HB1 PHE 20 16.714 4.192 -3.387 12 HD1 PHE 20 HD2 PHE 20 18.530 4.396 -4.990 13 HD2 PHE 20 HD1 PHE 20 14.923 2.369 -5.989 14 HE1 PHE 20 HE2 PHE 20 19.114 4.544 -7.373 15 HE2 PHE 20 HE1 PHE 20 15.503 2.513 -8.378 16 HZ PHE 20 HZ PHE 20 17.598 3.602 -9.071 17 H VAL 21 HN VAL 21 14.738 1.154 -2.081 18 HA VAL 21 HA VAL 21 14.855 -1.330 -3.647 19 HB VAL 21 HB VAL 21 15.649 -1.888 -1.491 20 HG11 VAL 21 HG11 VAL 21 13.253 -0.498 -0.313 21 HG12 VAL 21 HG12 VAL 21 14.876 0.181 -0.411 22 HG13 VAL 21 HG13 VAL 21 14.581 -1.258 0.568 23 HG21 VAL 21 HG21 VAL 21 13.881 -3.398 -2.441 24 HG22 VAL 21 HG22 VAL 21 12.724 -2.593 -1.378 25 HG23 VAL 21 HG23 VAL 21 14.079 -3.486 -0.691 26 H GLN 22 HN GLN 22 12.979 -2.164 -4.411 27 HA GLN 22 HA GLN 22 10.556 -0.564 -4.103 28 HB2 GLN 22 HB2 GLN 22 9.673 -1.935 -5.950 29 HB3 GLN 22 HB1 GLN 22 11.194 -1.167 -6.383 30 HG2 GLN 22 HG2 GLN 22 12.378 -3.251 -6.004 31 HG3 GLN 22 HG1 GLN 22 10.877 -4.029 -5.501 32 HE21 GLN 22 HE21 GLN 22 9.330 -4.537 -7.050 33 HE22 GLN 22 HE22 GLN 22 9.692 -4.556 -8.739 34 H CYS 23 HN CYS 23 8.647 -1.398 -3.263 35 HA CYS 23 HA CYS 23 8.672 -4.117 -2.216 36 HB2 CYS 23 HB2 CYS 23 8.039 -3.290 0.058 37 HB3 CYS 23 HB1 CYS 23 9.690 -2.891 -0.409 38 HG CYS 23 HG CYS 23 8.956 -0.648 0.869 39 H ASN 24 HN ASN 24 6.633 -4.976 -1.896 40 HA ASN 24 HA ASN 24 4.444 -3.573 -3.107 41 HB2 ASN 24 HB2 ASN 24 3.147 -5.627 -2.104 42 HB3 ASN 24 HB1 ASN 24 4.207 -5.844 -3.491 43 HD21 ASN 24 HD21 ASN 24 6.006 -7.052 -3.303 44 HD22 ASN 24 HD22 ASN 24 6.417 -7.959 -1.887 45 H HIS 25 HN HIS 25 3.399 -2.036 -2.131 46 HA HIS 25 HA HIS 25 3.483 -1.722 0.737 47 HB2 HIS 25 HB2 HIS 25 2.046 -0.168 -1.420 48 HB3 HIS 25 HB1 HIS 25 2.034 0.273 0.277 49 HD1 HIS 25 HD1 HIS 25 5.145 -0.815 -1.604 50 HD2 HIS 25 HD2 HIS 25 3.460 2.605 0.058 51 HE1 HIS 25 HE1 HIS 25 6.928 0.944 -1.718 52 HE2 HIS 25 HE2 HIS 25 5.832 3.037 -0.868 53 H HIS 26 HN HIS 26 2.104 -2.683 2.062 54 HA HIS 26 HA HIS 26 -0.138 -4.126 0.924 55 HB2 HIS 26 HB2 HIS 26 1.162 -4.118 3.636 56 HB3 HIS 26 HB1 HIS 26 -0.381 -4.917 3.367 57 HD1 HIS 26 HD1 HIS 26 0.374 -7.315 3.632 58 HD2 HIS 26 HD2 HIS 26 2.669 -5.180 0.892 59 HE1 HIS 26 HE1 HIS 26 1.843 -9.015 2.500 60 HE2 HIS 26 HE2 HIS 26 3.362 -7.665 1.015 61 H LEU 27 HN LEU 27 -2.208 -3.563 1.077 62 HA LEU 27 HA LEU 27 -2.931 -1.385 2.908 63 HB2 LEU 27 HB2 LEU 27 -3.612 -1.446 0.400 64 HB3 LEU 27 HB1 LEU 27 -4.770 -2.677 0.890 65 HG LEU 27 HG LEU 27 -5.777 -0.416 0.713 66 HD11 LEU 27 HD11 LEU 27 -6.976 -0.429 2.791 67 HD12 LEU 27 HD12 LEU 27 -5.705 -1.386 3.559 68 HD13 LEU 27 HD13 LEU 27 -6.699 -2.096 2.278 69 HD21 LEU 27 HD21 LEU 27 -3.850 0.913 1.352 70 HD22 LEU 27 HD22 LEU 27 -3.920 0.258 2.987 71 HD23 LEU 27 HD23 LEU 27 -5.226 1.282 2.391 72 H LEU 28 HN LEU 28 -3.856 -1.896 4.771 73 HA LEU 28 HA LEU 28 -4.661 -4.680 5.181 74 HB2 LEU 28 HB2 LEU 28 -3.138 -2.838 6.725 75 HB3 LEU 28 HB1 LEU 28 -4.595 -3.227 7.623 76 HG LEU 28 HG LEU 28 -2.777 -4.706 8.243 77 HD11 LEU 28 HD11 LEU 28 -3.886 -6.862 7.864 78 HD12 LEU 28 HD12 LEU 28 -4.934 -6.099 6.668 79 HD13 LEU 28 HD13 LEU 28 -5.017 -5.604 8.359 80 HD21 LEU 28 HD21 LEU 28 -1.427 -4.696 6.284 81 HD22 LEU 28 HD22 LEU 28 -2.732 -5.380 5.316 82 HD23 LEU 28 HD23 LEU 28 -1.948 -6.360 6.555 83 H TYR 29 HN TYR 29 -6.670 -5.150 5.314 84 HA TYR 29 HA TYR 29 -8.687 -3.063 5.678 85 HB2 TYR 29 HB2 TYR 29 -8.877 -4.654 3.768 86 HB3 TYR 29 HB1 TYR 29 -8.946 -5.989 4.908 87 HD1 TYR 29 HD1 TYR 29 -10.718 -2.772 4.217 88 HD2 TYR 29 HD2 TYR 29 -11.027 -6.840 5.410 89 HE1 TYR 29 HE1 TYR 29 -13.168 -2.571 4.254 90 HE2 TYR 29 HE2 TYR 29 -13.475 -6.649 5.453 91 HH TYR 29 HH TYR 29 -15.202 -5.011 5.591 92 H ASN 30 HN ASN 30 -10.295 -3.331 7.359 93 HA ASN 30 HA ASN 30 -9.253 -4.190 9.812 94 HB2 ASN 30 HB2 ASN 30 -11.059 -2.546 9.688 95 HB3 ASN 30 HB1 ASN 30 -12.146 -3.766 9.030 96 HD21 ASN 30 HD21 ASN 30 -13.601 -3.521 10.706 97 HD22 ASN 30 HD22 ASN 30 -13.285 -4.124 12.301 98 H GLY 31 HN GLY 31 -8.595 -6.229 10.015 99 HA2 GLY 31 HA2 GLY 31 -9.636 -8.423 10.727 100 HA3 GLY 31 HA1 GLY 31 -10.414 -8.375 9.151 101 H ARG 32 HN ARG 32 -8.538 -7.731 7.383 102 HA ARG 32 HA ARG 32 -6.140 -9.261 7.743 103 HB2 ARG 32 HB2 ARG 32 -8.493 -10.464 6.380 104 HB3 ARG 32 HB1 ARG 32 -6.914 -10.736 5.663 105 HG2 ARG 32 HG2 ARG 32 -7.779 -11.470 8.451 106 HG3 ARG 32 HG1 ARG 32 -7.464 -12.570 7.107 107 HD2 ARG 32 HD2 ARG 32 -5.109 -11.536 7.089 108 HD3 ARG 32 HD1 ARG 32 -5.517 -10.928 8.691 109 HE ARG 32 HE ARG 32 -5.776 -13.797 8.145 110 HH11 ARG 32 HH11 ARG 32 -4.244 -11.164 9.880 111 HH12 ARG 32 HH12 ARG 32 -3.292 -12.214 10.889 112 HH21 ARG 32 HH21 ARG 32 -4.523 -15.179 9.459 113 HH22 ARG 32 HH22 ARG 32 -3.457 -14.499 10.655 114 H HIS 33 HN HIS 33 -5.165 -9.726 5.430 115 HA HIS 33 HA HIS 33 -4.444 -7.356 4.217 116 HB2 HIS 33 HB2 HIS 33 -3.049 -9.178 3.843 117 HB3 HIS 33 HB1 HIS 33 -4.375 -10.245 3.422 118 HD1 HIS 33 HD1 HIS 33 -4.726 -10.674 1.010 119 HD2 HIS 33 HD2 HIS 33 -2.447 -7.252 1.672 120 HE1 HIS 33 HE1 HIS 33 -3.967 -9.916 -1.261 121 HE2 HIS 33 HE2 HIS 33 -2.709 -7.778 -0.856 122 H TRP 34 HN TRP 34 -5.327 -6.030 2.747 123 HA TRP 34 HA TRP 34 -7.807 -6.883 1.424 124 HB2 TRP 34 HB2 TRP 34 -7.718 -4.728 2.766 125 HB3 TRP 34 HB1 TRP 34 -6.652 -4.091 1.518 126 HD1 TRP 34 HD1 TRP 34 -10.291 -5.034 2.157 127 HE1 TRP 34 HE1 TRP 34 -11.753 -4.077 0.269 128 HE3 TRP 34 HE3 TRP 34 -6.589 -3.382 -0.968 129 HZ2 TRP 34 HZ2 TRP 34 -11.380 -2.789 -2.214 130 HZ3 TRP 34 HZ3 TRP 34 -7.235 -2.299 -3.081 131 HH2 TRP 34 HH2 TRP 34 -9.579 -2.010 -3.688 132 H GLY 35 HN GLY 35 -4.828 -5.063 0.650 133 HA2 GLY 35 HA2 GLY 35 -4.487 -6.523 -1.810 134 HA3 GLY 35 HA1 GLY 35 -5.015 -4.862 -2.058 135 H THR 36 HN THR 36 -2.689 -5.300 -3.176 136 HA THR 36 HA THR 36 -0.938 -3.682 -1.558 137 HB THR 36 HB THR 36 -0.387 -6.075 -0.943 138 HG1 THR 36 HG1 THR 36 1.104 -4.067 -1.124 139 HG21 THR 36 HG21 THR 36 0.698 -6.114 -3.757 140 HG22 THR 36 HG22 THR 36 -0.623 -7.105 -3.139 141 HG23 THR 36 HG23 THR 36 1.014 -7.333 -2.522 142 H ILE 37 HN ILE 37 0.454 -2.443 -2.749 143 HA ILE 37 HA ILE 37 0.564 -2.910 -5.651 144 HB ILE 37 HB ILE 37 0.514 -0.229 -4.237 145 HG12 ILE 37 HG12 ILE 37 -1.452 0.158 -5.831 146 HG13 ILE 37 HG11 ILE 37 -1.456 -1.590 -6.069 147 HG21 ILE 37 HG21 ILE 37 0.873 -0.828 -7.168 148 HG22 ILE 37 HG22 ILE 37 2.109 -0.211 -6.072 149 HG23 ILE 37 HG23 ILE 37 0.699 0.777 -6.455 150 HD11 ILE 37 HD11 ILE 37 -1.882 -1.921 -3.701 151 HD12 ILE 37 HD12 ILE 37 -3.106 -0.881 -4.426 152 HD13 ILE 37 HD13 ILE 37 -1.827 -0.178 -3.439 153 H ARG 38 HN ARG 38 2.605 -3.304 -6.342 154 HA ARG 38 HA ARG 38 4.772 -2.917 -4.463 155 HB2 ARG 38 HB2 ARG 38 4.581 -5.004 -5.828 156 HB3 ARG 38 HB1 ARG 38 4.940 -4.048 -7.261 157 HG2 ARG 38 HG2 ARG 38 7.123 -3.565 -6.523 158 HG3 ARG 38 HG1 ARG 38 6.781 -4.145 -4.893 159 HD2 ARG 38 HD2 ARG 38 8.103 -5.784 -6.036 160 HD3 ARG 38 HD1 ARG 38 6.477 -6.419 -5.813 161 HE ARG 38 HE ARG 38 7.194 -5.179 -8.381 162 HH11 ARG 38 HH11 ARG 38 6.230 -8.004 -6.530 163 HH12 ARG 38 HH12 ARG 38 6.037 -9.008 -7.937 164 HH21 ARG 38 HH21 ARG 38 6.962 -6.522 -10.214 165 HH22 ARG 38 HH22 ARG 38 6.459 -8.172 -10.011 166 H LYS 39 HN LYS 39 5.529 -0.954 -4.279 167 HA LYS 39 HA LYS 39 6.303 0.485 -6.718 168 HB2 LYS 39 HB2 LYS 39 4.966 1.572 -4.247 169 HB3 LYS 39 HB1 LYS 39 5.877 2.605 -5.339 170 HG2 LYS 39 HG2 LYS 39 3.457 0.959 -6.049 171 HG3 LYS 39 HG1 LYS 39 3.515 2.712 -5.844 172 HD2 LYS 39 HD2 LYS 39 5.096 2.868 -7.714 173 HD3 LYS 39 HD1 LYS 39 5.016 1.118 -7.923 174 HE2 LYS 39 HE2 LYS 39 2.564 1.353 -8.322 175 HE3 LYS 39 HE1 LYS 39 2.778 3.103 -8.288 176 HZ1 LYS 39 HZ1 LYS 39 4.035 1.212 -10.202 177 HZ2 LYS 39 HZ2 LYS 39 4.350 2.877 -10.143 178 HZ3 LYS 39 HZ3 LYS 39 2.799 2.322 -10.546 179 H LYS 40 HN LYS 40 8.128 1.842 -6.519 180 HA LYS 40 HA LYS 40 10.148 0.725 -4.792 181 HB2 LYS 40 HB2 LYS 40 10.439 3.067 -6.679 182 HB3 LYS 40 HB1 LYS 40 11.695 1.964 -6.125 183 HG2 LYS 40 HG2 LYS 40 10.641 0.142 -7.364 184 HG3 LYS 40 HG1 LYS 40 9.390 1.246 -7.925 185 HD2 LYS 40 HD2 LYS 40 10.991 0.993 -9.679 186 HD3 LYS 40 HD1 LYS 40 11.181 2.610 -9.002 187 HE2 LYS 40 HE2 LYS 40 13.143 2.003 -7.845 188 HE3 LYS 40 HE1 LYS 40 12.860 0.283 -8.112 189 HZ1 LYS 40 HZ1 LYS 40 14.575 1.090 -9.582 190 HZ2 LYS 40 HZ2 LYS 40 13.550 2.298 -10.189 191 HZ3 LYS 40 HZ3 LYS 40 13.212 0.663 -10.496 192 H ALA 41 HN ALA 41 11.382 1.919 -3.270 193 HA ALA 41 HA ALA 41 9.873 3.536 -1.567 194 HB1 ALA 41 HB1 ALA 41 12.861 3.210 -1.720 195 HB2 ALA 41 HB2 ALA 41 11.736 2.267 -0.744 196 HB3 ALA 41 HB3 ALA 41 11.993 3.973 -0.390 197 H GLY 42 HN GLY 42 9.650 5.659 -1.275 198 HA2 GLY 42 HA2 GLY 42 10.287 7.953 -1.592 199 HA3 GLY 42 HA1 GLY 42 11.089 7.480 -3.084 200 H TRP 43 HN TRP 43 8.582 5.737 -3.536 201 HA TRP 43 HA TRP 43 7.157 7.801 -5.012 202 HB2 TRP 43 HB2 TRP 43 7.063 4.787 -5.083 203 HB3 TRP 43 HB1 TRP 43 5.922 5.789 -5.971 204 HD1 TRP 43 HD1 TRP 43 9.660 4.875 -5.895 205 HE1 TRP 43 HE1 TRP 43 10.668 5.387 -8.212 206 HE3 TRP 43 HE3 TRP 43 5.626 7.176 -8.030 207 HZ2 TRP 43 HZ2 TRP 43 9.850 6.616 -10.622 208 HZ3 TRP 43 HZ3 TRP 43 5.820 7.991 -10.344 209 HH2 TRP 43 HH2 TRP 43 7.888 7.717 -11.611 210 H ALA 44 HN ALA 44 5.259 8.600 -4.402 211 HA ALA 44 HA ALA 44 3.850 7.580 -2.121 212 HB1 ALA 44 HB1 ALA 44 3.877 9.977 -2.615 213 HB2 ALA 44 HB2 ALA 44 2.230 9.350 -2.629 214 HB3 ALA 44 HB3 ALA 44 3.058 9.677 -4.148 215 H VAL 45 HN VAL 45 2.340 5.987 -2.182 216 HA VAL 45 HA VAL 45 1.420 5.130 -4.847 217 HB VAL 45 HB VAL 45 2.796 3.494 -3.546 218 HG11 VAL 45 HG11 VAL 45 0.408 3.459 -1.709 219 HG12 VAL 45 HG12 VAL 45 2.035 4.007 -1.305 220 HG13 VAL 45 HG13 VAL 45 1.743 2.307 -1.673 221 HG21 VAL 45 HG21 VAL 45 1.312 1.576 -3.952 222 HG22 VAL 45 HG22 VAL 45 1.315 2.723 -5.291 223 HG23 VAL 45 HG23 VAL 45 -0.041 2.689 -4.163 224 H ARG 46 HN ARG 46 -0.738 4.560 -5.149 225 HA ARG 46 HA ARG 46 -2.541 5.935 -3.313 226 HB2 ARG 46 HB2 ARG 46 -4.032 6.236 -5.095 227 HB3 ARG 46 HB1 ARG 46 -2.449 6.475 -5.810 228 HG2 ARG 46 HG2 ARG 46 -4.159 4.007 -6.038 229 HG3 ARG 46 HG1 ARG 46 -3.890 5.216 -7.290 230 HD2 ARG 46 HD2 ARG 46 -1.376 4.594 -6.965 231 HD3 ARG 46 HD1 ARG 46 -2.023 3.125 -6.229 232 HE ARG 46 HE ARG 46 -2.493 3.986 -9.014 233 HH11 ARG 46 HH11 ARG 46 -2.359 1.479 -6.567 234 HH12 ARG 46 HH12 ARG 46 -2.584 0.186 -7.707 235 HH21 ARG 46 HH21 ARG 46 -2.790 2.285 -10.495 236 HH22 ARG 46 HH22 ARG 46 -2.808 0.643 -9.930 237 H PHE 47 HN PHE 47 -4.063 4.947 -2.188 238 HA PHE 47 HA PHE 47 -4.716 2.146 -2.819 239 HB2 PHE 47 HB2 PHE 47 -4.591 3.470 -0.099 240 HB3 PHE 47 HB1 PHE 47 -5.207 1.850 -0.397 241 HD1 PHE 47 HD2 PHE 47 -3.527 0.245 -1.633 242 HD2 PHE 47 HD1 PHE 47 -2.410 3.721 0.554 243 HE1 PHE 47 HE2 PHE 47 -1.269 -0.679 -1.321 244 HE2 PHE 47 HE1 PHE 47 -0.154 2.799 0.870 245 HZ PHE 47 HZ PHE 47 0.418 0.594 -0.066 246 H TYR 48 HN TYR 48 -6.837 1.751 -3.139 247 HA TYR 48 HA TYR 48 -8.814 3.665 -2.183 248 HB2 TYR 48 HB2 TYR 48 -9.838 3.915 -4.392 249 HB3 TYR 48 HB1 TYR 48 -8.167 4.464 -4.436 250 HD1 TYR 48 HD1 TYR 48 -6.420 2.944 -5.457 251 HD2 TYR 48 HD2 TYR 48 -10.595 2.213 -5.818 252 HE1 TYR 48 HE1 TYR 48 -5.987 1.455 -7.365 253 HE2 TYR 48 HE2 TYR 48 -10.175 0.717 -7.719 254 HH TYR 48 HH TYR 48 -7.128 -0.483 -8.483 255 H GLU 49 HN GLU 49 -10.889 2.839 -2.056 256 HA GLU 49 HA GLU 49 -11.001 -0.081 -1.988 257 HB2 GLU 49 HB2 GLU 49 -13.035 0.209 -0.658 258 HB3 GLU 49 HB1 GLU 49 -11.708 1.132 0.033 259 HG2 GLU 49 HG2 GLU 49 -12.588 3.176 -0.777 260 HG3 GLU 49 HG1 GLU 49 -13.775 2.346 -1.779 261 H GLU 50 HN GLU 50 -12.420 -1.268 -3.198 262 HA GLU 50 HA GLU 50 -14.337 0.231 -4.822 263 HB2 GLU 50 HB2 GLU 50 -14.004 -1.386 -6.676 264 HB3 GLU 50 HB1 GLU 50 -12.599 -0.385 -6.356 265 HG2 GLU 50 HG2 GLU 50 -11.514 -2.220 -5.211 266 HG3 GLU 50 HG1 GLU 50 -12.945 -3.229 -5.433 267 H LYS 51 HN LYS 51 -16.123 -0.204 -3.736 268 HA LYS 51 HA LYS 51 -16.787 -2.969 -3.067 269 HB2 LYS 51 HB2 LYS 51 -18.311 -0.395 -2.570 270 HB3 LYS 51 HB1 LYS 51 -18.795 -1.984 -2.000 271 HG2 LYS 51 HG2 LYS 51 -16.234 -0.610 -1.204 272 HG3 LYS 51 HG1 LYS 51 -17.731 -0.557 -0.272 273 HD2 LYS 51 HD2 LYS 51 -17.664 -3.015 -0.082 274 HD3 LYS 51 HD1 LYS 51 -16.131 -3.026 -0.959 275 HE2 LYS 51 HE2 LYS 51 -15.088 -1.710 0.785 276 HE3 LYS 51 HE1 LYS 51 -16.621 -1.577 1.640 277 HZ1 LYS 51 HZ1 LYS 51 -14.980 -4.019 1.245 278 HZ2 LYS 51 HZ2 LYS 51 -16.576 -4.061 1.817 279 HZ3 LYS 51 HZ3 LYS 51 -15.379 -3.258 2.708 280 HA PRO 52 HA PRO 52 -18.447 -3.727 -7.070 281 HB2 PRO 52 HB2 PRO 52 -20.557 -5.353 -6.079 282 HB3 PRO 52 HB1 PRO 52 -19.003 -5.880 -6.725 283 HG2 PRO 52 HG2 PRO 52 -19.857 -5.520 -3.910 284 HG3 PRO 52 HG1 PRO 52 -18.659 -6.634 -4.590 285 HD2 PRO 52 HD2 PRO 52 -17.929 -4.481 -3.179 286 HD3 PRO 52 HD1 PRO 52 -16.984 -5.030 -4.582 287 H GLY 53 HN GLY 53 -19.538 -2.218 -8.111 288 HA2 GLY 53 HA2 GLY 53 -21.608 -1.360 -8.908 289 HA3 GLY 53 HA1 GLY 53 -22.317 -1.670 -7.331 290 H GLN 54 HN GLN 54 -19.907 -0.470 -6.046 291 HA GLN 54 HA GLN 54 -20.851 2.295 -6.180 292 HB2 GLN 54 HB2 GLN 54 -19.282 0.756 -4.106 293 HB3 GLN 54 HB1 GLN 54 -19.626 2.479 -3.986 294 HG2 GLN 54 HG2 GLN 54 -21.900 2.131 -3.689 295 HG3 GLN 54 HG1 GLN 54 -21.834 0.498 -4.356 296 HE21 GLN 54 HE21 GLN 54 -21.280 -1.190 -3.053 297 HE22 GLN 54 HE22 GLN 54 -21.111 -1.053 -1.338 298 HA PRO 55 HA PRO 55 -17.161 3.755 -8.125 299 HB2 PRO 55 HB2 PRO 55 -16.983 6.225 -7.023 300 HB3 PRO 55 HB1 PRO 55 -18.145 5.815 -8.286 301 HG2 PRO 55 HG2 PRO 55 -18.558 6.003 -5.328 302 HG3 PRO 55 HG1 PRO 55 -19.602 6.575 -6.644 303 HD2 PRO 55 HD2 PRO 55 -20.099 4.278 -5.319 304 HD3 PRO 55 HD1 PRO 55 -20.464 4.467 -7.047 305 H LYS 56 HN LYS 56 -15.025 4.172 -7.769 306 HA LYS 56 HA LYS 56 -14.001 2.946 -5.393 307 HB2 LYS 56 HB2 LYS 56 -12.577 4.166 -7.763 308 HB3 LYS 56 HB1 LYS 56 -11.831 3.162 -6.526 309 HG2 LYS 56 HG2 LYS 56 -12.743 1.243 -7.322 310 HG3 LYS 56 HG1 LYS 56 -14.186 2.053 -7.933 311 HD2 LYS 56 HD2 LYS 56 -12.810 3.033 -9.738 312 HD3 LYS 56 HD1 LYS 56 -11.435 2.076 -9.168 313 HE2 LYS 56 HE2 LYS 56 -14.067 1.045 -10.223 314 HE3 LYS 56 HE1 LYS 56 -12.501 0.951 -11.024 315 HZ1 LYS 56 HZ1 LYS 56 -13.140 -1.148 -9.980 316 HZ2 LYS 56 HZ2 LYS 56 -13.194 -0.392 -8.467 317 HZ3 LYS 56 HZ3 LYS 56 -11.721 -0.523 -9.295 318 H ARG 57 HN ARG 57 -12.884 3.836 -3.760 319 HA ARG 57 HA ARG 57 -12.883 6.785 -3.602 320 HB2 ARG 57 HB2 ARG 57 -14.728 5.967 -2.314 321 HB3 ARG 57 HB1 ARG 57 -13.743 4.704 -1.596 322 HG2 ARG 57 HG2 ARG 57 -12.387 6.826 -0.719 323 HG3 ARG 57 HG1 ARG 57 -13.992 7.556 -0.879 324 HD2 ARG 57 HD2 ARG 57 -14.918 5.656 0.416 325 HD3 ARG 57 HD1 ARG 57 -13.277 5.068 0.650 326 HE ARG 57 HE ARG 57 -13.490 7.732 1.563 327 HH11 ARG 57 HH11 ARG 57 -14.288 4.424 2.368 328 HH12 ARG 57 HH12 ARG 57 -14.482 4.749 4.066 329 HH21 ARG 57 HH21 ARG 57 -13.706 8.162 3.807 330 HH22 ARG 57 HH22 ARG 57 -14.176 6.878 4.884 331 H LEU 58 HN LEU 58 -11.066 7.702 -2.785 332 HA LEU 58 HA LEU 58 -8.707 6.140 -2.476 333 HB2 LEU 58 HB2 LEU 58 -9.420 8.969 -2.513 334 HB3 LEU 58 HB1 LEU 58 -8.146 8.612 -1.363 335 HG LEU 58 HG LEU 58 -8.001 7.721 -4.236 336 HD11 LEU 58 HD11 LEU 58 -6.928 10.266 -3.017 337 HD12 LEU 58 HD12 LEU 58 -8.230 10.154 -4.202 338 HD13 LEU 58 HD13 LEU 58 -6.591 9.678 -4.645 339 HD21 LEU 58 HD21 LEU 58 -5.697 7.407 -3.799 340 HD22 LEU 58 HD22 LEU 58 -6.557 6.667 -2.446 341 HD23 LEU 58 HD23 LEU 58 -5.803 8.248 -2.255 342 H VAL 59 HN VAL 59 -8.101 5.038 -0.751 343 HA VAL 59 HA VAL 59 -9.383 5.692 1.807 344 HB VAL 59 HB VAL 59 -8.978 3.429 2.520 345 HG11 VAL 59 HG11 VAL 59 -10.054 3.392 -0.291 346 HG12 VAL 59 HG12 VAL 59 -10.961 3.897 1.132 347 HG13 VAL 59 HG13 VAL 59 -10.402 2.231 0.990 348 HG21 VAL 59 HG21 VAL 59 -7.919 1.759 1.102 349 HG22 VAL 59 HG22 VAL 59 -6.808 3.088 1.435 350 HG23 VAL 59 HG23 VAL 59 -7.610 2.983 -0.131 351 H ALA 60 HN ALA 60 -6.350 5.613 0.185 352 HA ALA 60 HA ALA 60 -5.078 6.979 2.300 353 HB1 ALA 60 HB1 ALA 60 -4.193 4.128 1.912 354 HB2 ALA 60 HB2 ALA 60 -5.022 4.787 3.318 355 HB3 ALA 60 HB3 ALA 60 -3.397 5.334 2.924 356 H ILE 61 HN ILE 61 -3.515 8.147 1.519 357 HA ILE 61 HA ILE 61 -2.040 7.202 -0.850 358 HB ILE 61 HB ILE 61 -2.064 10.001 0.319 359 HG12 ILE 61 HG12 ILE 61 -3.123 10.468 -2.025 360 HG13 ILE 61 HG11 ILE 61 -3.564 8.766 -1.971 361 HG21 ILE 61 HG21 ILE 61 -0.909 9.084 -2.301 362 HG22 ILE 61 HG22 ILE 61 0.034 9.206 -0.817 363 HG23 ILE 61 HG23 ILE 61 -0.705 10.650 -1.515 364 HD11 ILE 61 HD11 ILE 61 -4.404 10.943 -0.079 365 HD12 ILE 61 HD12 ILE 61 -4.699 9.230 0.199 366 HD13 ILE 61 HD13 ILE 61 -5.416 10.029 -1.199 367 H CYS 62 HN CYS 62 -0.148 6.243 -0.337 368 HA CYS 62 HA CYS 62 1.071 6.969 2.239 369 HB2 CYS 62 HB2 CYS 62 -0.487 4.910 2.278 370 HB3 CYS 62 HB1 CYS 62 0.787 4.101 1.372 371 H LYS 63 HN LYS 63 3.300 6.575 2.418 372 HA LYS 63 HA LYS 63 4.690 5.360 0.181 373 HB2 LYS 63 HB2 LYS 63 6.100 7.209 -0.342 374 HB3 LYS 63 HB1 LYS 63 4.445 7.805 -0.395 375 HG2 LYS 63 HG2 LYS 63 4.743 8.733 1.876 376 HG3 LYS 63 HG1 LYS 63 6.430 8.216 1.829 377 HD2 LYS 63 HD2 LYS 63 6.475 10.476 1.182 378 HD3 LYS 63 HD1 LYS 63 6.607 9.561 -0.325 379 HE2 LYS 63 HE2 LYS 63 4.212 9.852 -0.715 380 HE3 LYS 63 HE1 LYS 63 4.078 10.771 0.784 381 HZ1 LYS 63 HZ1 LYS 63 4.227 12.165 -1.224 382 HZ2 LYS 63 HZ2 LYS 63 5.785 11.559 -1.517 383 HZ3 LYS 63 HZ3 LYS 63 5.479 12.473 -0.120 384 H ASN 64 HN ASN 64 7.068 5.195 0.676 385 HA ASN 64 HA ASN 64 7.299 4.061 3.286 386 HB2 ASN 64 HB2 ASN 64 8.376 2.995 1.388 387 HB3 ASN 64 HB1 ASN 64 9.325 4.440 1.080 388 HD21 ASN 64 HD21 ASN 64 11.289 3.647 1.325 389 HD22 ASN 64 HD22 ASN 64 11.917 2.987 2.797 390 H ALA 65 HN ALA 65 8.747 4.648 4.929 391 HA ALA 65 HA ALA 65 8.862 7.274 5.702 392 HB1 ALA 65 HB1 ALA 65 10.911 5.182 6.412 393 HB2 ALA 65 HB2 ALA 65 9.310 5.298 7.136 394 HB3 ALA 65 HB3 ALA 65 10.473 6.605 7.357 395 H SER 66 HN SER 66 11.477 5.450 4.133 396 HA SER 66 HA SER 66 12.847 7.996 3.623 397 HB2 SER 66 HB2 SER 66 14.087 6.315 5.003 398 HB3 SER 66 HB1 SER 66 14.030 5.206 3.633 399 HG SER 66 HG SER 66 15.886 6.162 3.220 400 HA PRO 67 HA PRO 67 11.982 7.314 -0.669 401 HB2 PRO 67 HB2 PRO 67 13.645 9.160 -1.720 402 HB3 PRO 67 HB1 PRO 67 12.165 9.597 -0.857 403 HG2 PRO 67 HG2 PRO 67 14.995 9.591 0.116 404 HG3 PRO 67 HG1 PRO 67 13.720 10.793 0.386 405 HD2 PRO 67 HD2 PRO 67 14.410 8.898 2.223 406 HD3 PRO 67 HD1 PRO 67 12.783 9.597 2.100 407 H VAL 68 HN VAL 68 14.514 6.029 0.833 408 HA VAL 68 HA VAL 68 15.730 5.095 -1.679 409 HB VAL 68 HB VAL 68 17.290 5.415 0.876 410 HG11 VAL 68 HG11 VAL 68 18.374 5.172 -1.900 411 HG12 VAL 68 HG12 VAL 68 17.891 3.749 -0.984 412 HG13 VAL 68 HG13 VAL 68 19.159 4.808 -0.360 413 HG21 VAL 68 HG21 VAL 68 18.345 7.372 -0.153 414 HG22 VAL 68 HG22 VAL 68 16.616 7.626 0.087 415 HG23 VAL 68 HG23 VAL 68 17.237 7.251 -1.520 416 H HIS 69 HN HIS 69 16.297 4.147 1.710 417 HA HIS 69 HA HIS 69 15.702 1.384 0.956 418 HB2 HIS 69 HB2 HIS 69 16.623 2.393 3.651 419 HB3 HIS 69 HB1 HIS 69 16.648 0.737 3.077 420 HD1 HIS 69 HD1 HIS 69 18.951 3.193 3.817 421 HD2 HIS 69 HD2 HIS 69 18.356 0.855 0.428 422 HE1 HIS 69 HE1 HIS 69 21.147 3.202 2.591 423 HE2 HIS 69 HE2 HIS 69 20.793 1.723 0.581 424 H CYS 70 HN CYS 70 14.285 0.081 2.393 425 HA CYS 70 HA CYS 70 11.879 1.686 2.869 426 HB2 CYS 70 HB2 CYS 70 11.804 -0.221 1.241 427 HB3 CYS 70 HB1 CYS 70 12.088 -1.314 2.590 428 HG CYS 70 HG CYS 70 9.541 -1.712 2.771 429 H ASN 71 HN ASN 71 10.828 1.754 4.769 430 HA ASN 71 HA ASN 71 11.848 0.081 6.967 431 HB2 ASN 71 HB2 ASN 71 11.280 3.046 7.230 432 HB3 ASN 71 HB1 ASN 71 11.816 1.974 8.514 433 HD21 ASN 71 HD21 ASN 71 12.733 3.905 5.843 434 HD22 ASN 71 HD22 ASN 71 14.444 3.697 5.997 435 H TYR 72 HN TYR 72 9.520 2.737 6.754 436 HA TYR 72 HA TYR 72 7.348 0.892 7.438 437 HB2 TYR 72 HB2 TYR 72 7.566 3.611 8.713 438 HB3 TYR 72 HB1 TYR 72 6.551 2.258 9.194 439 HD1 TYR 72 HD1 TYR 72 7.894 0.093 9.885 440 HD2 TYR 72 HD2 TYR 72 9.469 4.037 9.963 441 HE1 TYR 72 HE1 TYR 72 9.586 -0.625 11.521 442 HE2 TYR 72 HE2 TYR 72 11.173 3.335 11.591 443 HH TYR 72 HH TYR 72 11.649 1.643 13.162 444 H LEU 73 HN LEU 73 5.212 1.934 7.098 445 HA LEU 73 HA LEU 73 5.358 3.702 4.758 446 HB2 LEU 73 HB2 LEU 73 3.240 1.783 5.695 447 HB3 LEU 73 HB1 LEU 73 2.942 2.969 4.440 448 HG LEU 73 HG LEU 73 4.820 0.619 4.354 449 HD11 LEU 73 HD11 LEU 73 3.485 0.127 2.305 450 HD12 LEU 73 HD12 LEU 73 2.412 1.456 2.753 451 HD13 LEU 73 HD13 LEU 73 2.572 0.056 3.812 452 HD21 LEU 73 HD21 LEU 73 6.051 2.435 3.393 453 HD22 LEU 73 HD22 LEU 73 4.645 2.967 2.472 454 HD23 LEU 73 HD23 LEU 73 5.430 1.438 2.075 455 H LYS 74 HN LYS 74 4.813 5.733 4.959 456 HA LYS 74 HA LYS 74 3.134 6.555 7.226 457 HB2 LYS 74 HB2 LYS 74 5.156 7.987 5.538 458 HB3 LYS 74 HB1 LYS 74 3.878 8.908 6.318 459 HG2 LYS 74 HG2 LYS 74 5.783 8.973 7.731 460 HG3 LYS 74 HG1 LYS 74 4.588 7.925 8.494 461 HD2 LYS 74 HD2 LYS 74 5.797 5.963 7.572 462 HD3 LYS 74 HD1 LYS 74 7.030 7.059 6.944 463 HE2 LYS 74 HE2 LYS 74 6.281 6.667 9.841 464 HE3 LYS 74 HE1 LYS 74 7.752 6.098 9.055 465 HZ1 LYS 74 HZ1 LYS 74 6.960 8.923 9.531 466 HZ2 LYS 74 HZ2 LYS 74 8.292 8.462 8.591 467 HZ3 LYS 74 HZ3 LYS 74 8.251 8.086 10.245 468 H CYS 75 HN CYS 75 1.072 6.472 6.696 469 HA CYS 75 HA CYS 75 0.282 7.106 3.945 470 HB2 CYS 75 HB2 CYS 75 -1.393 5.818 6.095 471 HB3 CYS 75 HB1 CYS 75 -1.706 5.850 4.365 472 H THR 76 HN THR 76 -1.532 8.458 3.555 473 HA THR 76 HA THR 76 -2.493 9.982 5.859 474 HB THR 76 HB THR 76 -0.709 11.264 4.613 475 HG1 THR 76 HG1 THR 76 -1.731 13.015 5.206 476 HG21 THR 76 HG21 THR 76 -2.819 11.337 2.457 477 HG22 THR 76 HG22 THR 76 -1.230 10.579 2.342 478 HG23 THR 76 HG23 THR 76 -1.363 12.332 2.489 479 H ASN 77 HN ASN 77 -4.571 10.938 5.573 480 HA ASN 77 HA ASN 77 -6.733 11.043 4.900 481 HB2 ASN 77 HB2 ASN 77 -5.583 10.256 2.216 482 HB3 ASN 77 HB1 ASN 77 -7.264 10.703 2.474 483 HD21 ASN 77 HD21 ASN 77 -5.228 11.953 0.812 484 HD22 ASN 77 HD22 ASN 77 -5.118 13.595 1.340 485 H LEU 78 HN LEU 78 -6.039 8.798 6.274 486 HA LEU 78 HA LEU 78 -6.683 6.361 5.008 487 HB2 LEU 78 HB2 LEU 78 -6.863 7.129 7.918 488 HB3 LEU 78 HB1 LEU 78 -7.012 5.492 7.311 489 HG LEU 78 HG LEU 78 -4.555 7.237 7.147 490 HD11 LEU 78 HD11 LEU 78 -3.583 5.561 8.639 491 HD12 LEU 78 HD12 LEU 78 -5.136 4.729 8.713 492 HD13 LEU 78 HD13 LEU 78 -4.975 6.357 9.374 493 HD21 LEU 78 HD21 LEU 78 -4.701 5.864 5.169 494 HD22 LEU 78 HD22 LEU 78 -5.043 4.440 6.148 495 HD23 LEU 78 HD23 LEU 78 -3.462 5.216 6.246 496 H ALA 79 HN ALA 79 -8.555 5.016 5.322 497 HA ALA 79 HA ALA 79 -11.023 6.618 5.411 498 HB1 ALA 79 HB1 ALA 79 -10.617 3.957 4.061 499 HB2 ALA 79 HB2 ALA 79 -10.468 5.513 3.253 500 HB3 ALA 79 HB3 ALA 79 -12.019 5.019 3.930 501 H ALA 80 HN ALA 80 -10.407 6.158 7.833 502 HA ALA 80 HA ALA 80 -11.028 5.272 9.817 503 HB1 ALA 80 HB1 ALA 80 -13.239 4.276 9.987 504 HB2 ALA 80 HB2 ALA 80 -13.304 4.098 8.234 505 HB3 ALA 80 HB3 ALA 80 -13.266 5.707 8.955 506 H GLY 81 HN GLY 81 -12.408 2.494 8.152 507 HA2 GLY 81 HA2 GLY 81 -10.753 0.732 9.734 508 HA3 GLY 81 HA1 GLY 81 -12.017 0.253 8.609 509 H PHE 82 HN PHE 82 -10.546 2.163 6.651 510 HA PHE 82 HA PHE 82 -8.776 0.111 5.597 511 HB2 PHE 82 HB2 PHE 82 -9.676 2.766 4.461 512 HB3 PHE 82 HB1 PHE 82 -8.600 1.647 3.631 513 HD1 PHE 82 HD2 PHE 82 -9.444 -0.546 2.878 514 HD2 PHE 82 HD1 PHE 82 -12.014 2.410 4.541 515 HE1 PHE 82 HE2 PHE 82 -11.392 -1.726 1.947 516 HE2 PHE 82 HE1 PHE 82 -13.969 1.232 3.614 517 HZ PHE 82 HZ PHE 82 -13.657 -0.834 2.314 518 H SER 83 HN SER 83 -6.715 0.075 6.033 519 HA SER 83 HA SER 83 -5.176 2.538 6.228 520 HB2 SER 83 HB2 SER 83 -5.114 0.424 8.407 521 HB3 SER 83 HB1 SER 83 -4.140 1.893 8.350 522 HG SER 83 HG SER 83 -6.709 2.564 8.082 523 H ALA 84 HN ALA 84 -2.711 1.777 6.458 524 HA ALA 84 HA ALA 84 -2.472 -0.478 4.583 525 HB1 ALA 84 HB1 ALA 84 -0.393 0.557 3.797 526 HB2 ALA 84 HB2 ALA 84 -0.617 1.884 4.938 527 HB3 ALA 84 HB3 ALA 84 -1.769 1.645 3.624 528 H GLY 85 HN GLY 85 -0.087 -1.384 4.681 529 HA2 GLY 85 HA2 GLY 85 0.745 -1.733 7.471 530 HA3 GLY 85 HA1 GLY 85 0.263 -3.161 6.565 531 H THR 86 HN THR 86 2.558 -3.610 7.321 532 HA THR 86 HA THR 86 4.751 -2.274 6.128 533 HB THR 86 HB THR 86 4.884 -3.635 8.199 534 HG1 THR 86 HG1 THR 86 6.916 -3.565 7.630 535 HG21 THR 86 HG21 THR 86 3.440 -5.485 7.309 536 HG22 THR 86 HG22 THR 86 4.901 -6.015 8.147 537 HG23 THR 86 HG23 THR 86 4.838 -6.037 6.383 538 H SER 87 HN SER 87 6.398 -3.652 4.841 539 HA SER 87 HA SER 87 4.969 -4.691 2.487 540 HB2 SER 87 HB2 SER 87 7.077 -3.973 1.256 541 HB3 SER 87 HB1 SER 87 6.078 -2.669 1.896 542 HG SER 87 HG SER 87 8.089 -3.672 3.546 543 H THR 88 HN THR 88 5.746 -6.539 1.448 544 HA THR 88 HA THR 88 7.826 -8.083 2.833 545 HB THR 88 HB THR 88 6.326 -10.089 2.750 546 HG1 THR 88 HG1 THR 88 4.578 -9.696 1.581 547 HG21 THR 88 HG21 THR 88 5.495 -7.781 4.507 548 HG22 THR 88 HG22 THR 88 6.716 -9.001 4.871 549 HG23 THR 88 HG23 THR 88 5.015 -9.458 4.766 550 H ASP 89 HN ASP 89 7.257 -10.494 1.535 551 HA ASP 89 HA ASP 89 7.228 -11.706 -0.372 552 HB2 ASP 89 HB2 ASP 89 5.345 -10.184 -1.008 553 HB3 ASP 89 HB1 ASP 89 6.517 -9.165 -1.832 554 H VAL 90 HN VAL 90 8.310 -8.638 -1.775 555 HA VAL 90 HA VAL 90 10.412 -9.958 -3.151 556 HB VAL 90 HB VAL 90 11.067 -7.585 -3.781 557 HG11 VAL 90 HG11 VAL 90 9.120 -7.326 -5.267 558 HG12 VAL 90 HG12 VAL 90 8.259 -8.539 -4.320 559 HG13 VAL 90 HG13 VAL 90 9.707 -8.989 -5.219 560 HG21 VAL 90 HG21 VAL 90 8.649 -7.047 -2.081 561 HG22 VAL 90 HG22 VAL 90 9.132 -5.959 -3.374 562 HG23 VAL 90 HG23 VAL 90 10.230 -6.262 -2.029 563 H LEU 91 HN LEU 91 10.237 -7.916 -0.284 564 HA LEU 91 HA LEU 91 13.125 -7.906 -0.022 565 HB2 LEU 91 HB2 LEU 91 12.718 -6.452 1.927 566 HB3 LEU 91 HB1 LEU 91 12.037 -5.842 0.433 567 HG LEU 91 HG LEU 91 9.871 -7.095 1.406 568 HD11 LEU 91 HD11 LEU 91 11.397 -6.185 3.838 569 HD12 LEU 91 HD12 LEU 91 10.972 -7.849 3.440 570 HD13 LEU 91 HD13 LEU 91 9.704 -6.678 3.809 571 HD21 LEU 91 HD21 LEU 91 9.163 -4.897 2.246 572 HD22 LEU 91 HD22 LEU 91 9.948 -4.806 0.670 573 HD23 LEU 91 HD23 LEU 91 10.830 -4.333 2.122 574 H SER 92 HN SER 92 10.374 -9.523 1.452 575 HA SER 92 HA SER 92 12.113 -10.606 3.526 576 HB2 SER 92 HB2 SER 92 9.961 -11.654 4.359 577 HB3 SER 92 HB1 SER 92 9.998 -9.890 4.354 578 HG SER 92 HG SER 92 8.248 -11.486 3.177 579 H SER 93 HN SER 93 9.562 -12.238 1.643 580 HA SER 93 HA SER 93 11.431 -14.135 0.552 581 HB2 SER 93 HB2 SER 93 11.165 -14.973 2.870 582 HB3 SER 93 HB1 SER 93 9.423 -15.072 2.622 583 HG SER 93 HG SER 93 11.404 -16.499 1.157 584 H GLY 94 HN GLY 94 7.968 -13.767 1.394 585 HA2 GLY 94 HA2 GLY 94 7.080 -13.373 -1.211 586 HA3 GLY 94 HA1 GLY 94 7.054 -15.107 -0.928 587 H THR 95 HN THR 95 4.990 -12.859 -1.237 588 HA THR 95 HA THR 95 3.219 -13.972 0.815 589 HB THR 95 HB THR 95 2.151 -11.637 0.996 590 HG1 THR 95 HG1 THR 95 3.833 -10.937 -0.736 591 HG21 THR 95 HG21 THR 95 4.868 -12.036 2.234 592 HG22 THR 95 HG22 THR 95 3.386 -12.802 2.808 593 HG23 THR 95 HG23 THR 95 3.552 -11.046 2.867 594 H VAL 96 HN VAL 96 3.719 -14.214 -2.121 595 HA VAL 96 HA VAL 96 2.547 -14.596 -4.012 596 HB VAL 96 HB VAL 96 0.069 -14.032 -2.376 597 HG11 VAL 96 HG11 VAL 96 -1.110 -15.295 -4.116 598 HG12 VAL 96 HG12 VAL 96 0.387 -15.409 -5.041 599 HG13 VAL 96 HG13 VAL 96 -0.359 -13.835 -4.761 600 HG21 VAL 96 HG21 VAL 96 -0.123 -16.462 -2.184 601 HG22 VAL 96 HG22 VAL 96 1.379 -15.883 -1.463 602 HG23 VAL 96 HG23 VAL 96 1.403 -16.654 -3.048 603 H GLY 97 HN GLY 97 0.520 -12.057 -2.543 604 HA2 GLY 97 HA2 GLY 97 1.246 -9.743 -3.479 605 HA3 GLY 97 HA1 GLY 97 0.852 -10.507 -5.015 606 H SER 98 HN SER 98 -0.976 -9.598 -5.686 607 HA SER 98 HA SER 98 -3.403 -10.083 -4.229 608 HB2 SER 98 HB2 SER 98 -2.575 -7.216 -4.780 609 HB3 SER 98 HB1 SER 98 -4.158 -7.728 -4.193 610 HG SER 98 HG SER 98 -2.185 -8.765 -2.668 Start of MODEL 5 1 H1 SER 19 HT1 SER 19 21.129 -1.329 -2.593 2 H2 SER 19 HT2 SER 19 19.913 -1.000 -3.729 3 H3 SER 19 HT3 SER 19 19.520 -1.756 -2.266 4 HA SER 19 HA SER 19 20.145 0.195 -1.035 5 HB2 SER 19 HB2 SER 19 20.533 1.495 -3.737 6 HB3 SER 19 HB1 SER 19 20.793 2.232 -2.155 7 HG SER 19 HG SER 19 22.730 1.439 -2.179 8 H PHE 20 HN PHE 20 18.736 1.233 -4.139 9 HA PHE 20 HA PHE 20 16.272 1.956 -2.840 10 HB2 PHE 20 HB2 PHE 20 17.085 1.937 -5.750 11 HB3 PHE 20 HB1 PHE 20 15.514 2.476 -5.184 12 HD1 PHE 20 HD2 PHE 20 19.147 3.139 -4.640 13 HD2 PHE 20 HD1 PHE 20 15.192 4.699 -4.740 14 HE1 PHE 20 HE2 PHE 20 20.036 5.408 -4.299 15 HE2 PHE 20 HE1 PHE 20 16.070 6.970 -4.398 16 HZ PHE 20 HZ PHE 20 18.497 7.328 -4.175 17 H VAL 21 HN VAL 21 14.325 0.938 -3.017 18 HA VAL 21 HA VAL 21 14.202 -1.618 -4.394 19 HB VAL 21 HB VAL 21 15.085 -2.374 -2.339 20 HG11 VAL 21 HG11 VAL 21 12.999 -0.771 -0.878 21 HG12 VAL 21 HG12 VAL 21 14.666 -0.259 -1.135 22 HG13 VAL 21 HG13 VAL 21 14.327 -1.699 -0.173 23 HG21 VAL 21 HG21 VAL 21 13.129 -3.653 -3.153 24 HG22 VAL 21 HG22 VAL 21 12.096 -2.704 -2.082 25 HG23 VAL 21 HG23 VAL 21 13.340 -3.753 -1.405 26 H GLN 22 HN GLN 22 12.227 -2.094 -5.138 27 HA GLN 22 HA GLN 22 10.005 -0.356 -4.349 28 HB2 GLN 22 HB2 GLN 22 8.911 -1.097 -6.414 29 HB3 GLN 22 HB1 GLN 22 10.490 -0.400 -6.745 30 HG2 GLN 22 HG2 GLN 22 10.649 -2.206 -8.085 31 HG3 GLN 22 HG1 GLN 22 11.186 -2.978 -6.593 32 HE21 GLN 22 HE21 GLN 22 8.546 -2.582 -8.831 33 HE22 GLN 22 HE22 GLN 22 7.636 -3.954 -8.297 34 H CYS 23 HN CYS 23 7.883 -1.362 -3.986 35 HA CYS 23 HA CYS 23 7.891 -4.170 -3.279 36 HB2 CYS 23 HB2 CYS 23 7.281 -3.674 -0.900 37 HB3 CYS 23 HB1 CYS 23 8.943 -3.267 -1.318 38 HG CYS 23 HG CYS 23 8.789 -0.924 -0.322 39 H ASN 24 HN ASN 24 5.810 -5.012 -2.861 40 HA ASN 24 HA ASN 24 3.627 -3.458 -3.866 41 HB2 ASN 24 HB2 ASN 24 3.810 -6.224 -2.695 42 HB3 ASN 24 HB1 ASN 24 2.259 -5.466 -3.005 43 HD21 ASN 24 HD21 ASN 24 5.147 -6.765 -4.445 44 HD22 ASN 24 HD22 ASN 24 4.521 -6.889 -6.048 45 H HIS 25 HN HIS 25 2.752 -1.934 -2.775 46 HA HIS 25 HA HIS 25 3.049 -1.629 0.050 47 HB2 HIS 25 HB2 HIS 25 1.749 -0.102 -2.167 48 HB3 HIS 25 HB1 HIS 25 1.320 0.289 -0.510 49 HD1 HIS 25 HD1 HIS 25 4.652 -0.366 -2.253 50 HD2 HIS 25 HD2 HIS 25 2.825 2.367 0.295 51 HE1 HIS 25 HE1 HIS 25 6.421 1.332 -1.699 52 HE2 HIS 25 HE2 HIS 25 5.348 2.842 0.002 53 H HIS 26 HN HIS 26 1.807 -2.441 1.576 54 HA HIS 26 HA HIS 26 -0.502 -4.010 0.827 55 HB2 HIS 26 HB2 HIS 26 1.409 -3.977 2.966 56 HB3 HIS 26 HB1 HIS 26 -0.216 -3.940 3.635 57 HD1 HIS 26 HD1 HIS 26 0.356 -6.340 4.574 58 HD2 HIS 26 HD2 HIS 26 0.130 -6.042 0.432 59 HE1 HIS 26 HE1 HIS 26 0.153 -8.700 3.734 60 HE2 HIS 26 HE2 HIS 26 0.250 -8.503 1.223 61 H LEU 27 HN LEU 27 -2.579 -3.453 1.111 62 HA LEU 27 HA LEU 27 -3.155 -1.296 3.032 63 HB2 LEU 27 HB2 LEU 27 -4.008 -1.214 0.566 64 HB3 LEU 27 HB1 LEU 27 -5.152 -2.446 1.087 65 HG LEU 27 HG LEU 27 -6.133 -0.181 1.100 66 HD11 LEU 27 HD11 LEU 27 -7.147 -0.265 3.275 67 HD12 LEU 27 HD12 LEU 27 -5.812 -1.238 3.901 68 HD13 LEU 27 HD13 LEU 27 -6.917 -1.918 2.698 69 HD21 LEU 27 HD21 LEU 27 -4.103 1.074 1.614 70 HD22 LEU 27 HD22 LEU 27 -4.093 0.396 3.243 71 HD23 LEU 27 HD23 LEU 27 -5.403 1.464 2.739 72 H LEU 28 HN LEU 28 -3.977 -1.916 4.909 73 HA LEU 28 HA LEU 28 -4.813 -4.716 5.191 74 HB2 LEU 28 HB2 LEU 28 -2.960 -3.166 6.622 75 HB3 LEU 28 HB1 LEU 28 -4.347 -3.352 7.687 76 HG LEU 28 HG LEU 28 -2.743 -5.097 8.118 77 HD11 LEU 28 HD11 LEU 28 -4.143 -7.083 7.762 78 HD12 LEU 28 HD12 LEU 28 -5.173 -6.141 6.683 79 HD13 LEU 28 HD13 LEU 28 -5.055 -5.710 8.387 80 HD21 LEU 28 HD21 LEU 28 -1.477 -5.326 6.191 81 HD22 LEU 28 HD22 LEU 28 -2.894 -5.504 5.163 82 HD23 LEU 28 HD23 LEU 28 -2.410 -6.824 6.231 83 H TYR 29 HN TYR 29 -6.862 -5.081 5.510 84 HA TYR 29 HA TYR 29 -8.614 -2.908 6.370 85 HB2 TYR 29 HB2 TYR 29 -9.360 -4.090 4.383 86 HB3 TYR 29 HB1 TYR 29 -9.189 -5.643 5.196 87 HD1 TYR 29 HD1 TYR 29 -10.960 -2.393 5.769 88 HD2 TYR 29 HD2 TYR 29 -11.132 -6.640 5.886 89 HE1 TYR 29 HE1 TYR 29 -13.300 -2.271 6.512 90 HE2 TYR 29 HE2 TYR 29 -13.472 -6.530 6.624 91 HH TYR 29 HH TYR 29 -14.978 -4.999 7.725 92 H ASN 30 HN ASN 30 -9.806 -3.037 8.248 93 HA ASN 30 HA ASN 30 -8.842 -4.328 10.473 94 HB2 ASN 30 HB2 ASN 30 -10.450 -2.500 10.621 95 HB3 ASN 30 HB1 ASN 30 -11.702 -3.513 9.910 96 HD21 ASN 30 HD21 ASN 30 -9.786 -2.876 12.735 97 HD22 ASN 30 HD22 ASN 30 -10.740 -3.819 13.836 98 H GLY 31 HN GLY 31 -8.418 -6.446 10.451 99 HA2 GLY 31 HA2 GLY 31 -9.685 -8.536 11.097 100 HA3 GLY 31 HA1 GLY 31 -10.568 -8.273 9.601 101 H ARG 32 HN ARG 32 -8.642 -7.653 7.783 102 HA ARG 32 HA ARG 32 -6.487 -9.519 7.876 103 HB2 ARG 32 HB2 ARG 32 -8.561 -10.974 7.570 104 HB3 ARG 32 HB1 ARG 32 -8.704 -10.254 5.972 105 HG2 ARG 32 HG2 ARG 32 -7.590 -12.388 5.822 106 HG3 ARG 32 HG1 ARG 32 -6.458 -11.094 5.415 107 HD2 ARG 32 HD2 ARG 32 -5.685 -11.176 7.810 108 HD3 ARG 32 HD1 ARG 32 -6.649 -12.642 7.988 109 HE ARG 32 HE ARG 32 -5.055 -13.109 5.814 110 HH11 ARG 32 HH11 ARG 32 -4.540 -12.272 9.170 111 HH12 ARG 32 HH12 ARG 32 -2.998 -13.071 9.265 112 HH21 ARG 32 HH21 ARG 32 -3.027 -14.140 5.917 113 HH22 ARG 32 HH22 ARG 32 -2.135 -14.140 7.414 114 H HIS 33 HN HIS 33 -5.207 -9.543 5.976 115 HA HIS 33 HA HIS 33 -4.699 -7.364 4.481 116 HB2 HIS 33 HB2 HIS 33 -3.183 -9.092 4.260 117 HB3 HIS 33 HB1 HIS 33 -4.430 -10.300 4.014 118 HD1 HIS 33 HD1 HIS 33 -5.001 -10.931 1.666 119 HD2 HIS 33 HD2 HIS 33 -2.507 -7.609 1.876 120 HE1 HIS 33 HE1 HIS 33 -4.249 -10.502 -0.693 121 HE2 HIS 33 HE2 HIS 33 -2.525 -8.677 -0.479 122 H TRP 34 HN TRP 34 -5.676 -6.200 2.953 123 HA TRP 34 HA TRP 34 -8.087 -7.286 1.691 124 HB2 TRP 34 HB2 TRP 34 -8.100 -5.053 2.900 125 HB3 TRP 34 HB1 TRP 34 -7.083 -4.435 1.604 126 HD1 TRP 34 HD1 TRP 34 -10.655 -5.534 2.345 127 HE1 TRP 34 HE1 TRP 34 -12.192 -4.757 0.431 128 HE3 TRP 34 HE3 TRP 34 -7.091 -3.868 -0.924 129 HZ2 TRP 34 HZ2 TRP 34 -11.923 -3.594 -2.125 130 HZ3 TRP 34 HZ3 TRP 34 -7.815 -2.936 -3.082 131 HH2 TRP 34 HH2 TRP 34 -10.184 -2.803 -3.671 132 H GLY 35 HN GLY 35 -5.240 -5.328 0.766 133 HA2 GLY 35 HA2 GLY 35 -4.805 -6.913 -1.597 134 HA3 GLY 35 HA1 GLY 35 -5.489 -5.331 -1.950 135 H THR 36 HN THR 36 -3.160 -5.648 -3.097 136 HA THR 36 HA THR 36 -1.488 -3.812 -1.634 137 HB THR 36 HB THR 36 -0.822 -6.139 -0.888 138 HG1 THR 36 HG1 THR 36 0.601 -4.058 -1.314 139 HG21 THR 36 HG21 THR 36 0.321 -6.299 -3.665 140 HG22 THR 36 HG22 THR 36 -1.049 -7.242 -3.079 141 HG23 THR 36 HG23 THR 36 0.549 -7.470 -2.369 142 H ILE 37 HN ILE 37 -0.277 -2.519 -2.971 143 HA ILE 37 HA ILE 37 -0.543 -3.027 -5.862 144 HB ILE 37 HB ILE 37 -0.570 -0.372 -4.400 145 HG12 ILE 37 HG12 ILE 37 -2.772 -0.189 -5.777 146 HG13 ILE 37 HG11 ILE 37 -2.643 -1.938 -5.916 147 HG21 ILE 37 HG21 ILE 37 -0.581 -0.889 -7.375 148 HG22 ILE 37 HG22 ILE 37 0.741 -0.183 -6.446 149 HG23 ILE 37 HG23 ILE 37 -0.786 0.684 -6.601 150 HD11 ILE 37 HD11 ILE 37 -2.701 -2.145 -3.492 151 HD12 ILE 37 HD12 ILE 37 -4.118 -1.291 -4.103 152 HD13 ILE 37 HD13 ILE 37 -2.809 -0.391 -3.340 153 H ARG 38 HN ARG 38 1.285 -2.864 -7.102 154 HA ARG 38 HA ARG 38 3.805 -2.941 -5.753 155 HB2 ARG 38 HB2 ARG 38 3.215 -4.234 -7.842 156 HB3 ARG 38 HB1 ARG 38 3.304 -2.719 -8.728 157 HG2 ARG 38 HG2 ARG 38 5.406 -3.411 -9.104 158 HG3 ARG 38 HG1 ARG 38 5.696 -2.677 -7.525 159 HD2 ARG 38 HD2 ARG 38 6.689 -4.884 -7.568 160 HD3 ARG 38 HD1 ARG 38 5.309 -4.877 -6.468 161 HE ARG 38 HE ARG 38 4.011 -5.974 -8.236 162 HH11 ARG 38 HH11 ARG 38 7.513 -6.049 -8.550 163 HH12 ARG 38 HH12 ARG 38 7.520 -7.479 -9.533 164 HH21 ARG 38 HH21 ARG 38 4.017 -7.840 -9.522 165 HH22 ARG 38 HH22 ARG 38 5.525 -8.485 -10.103 166 H LYS 39 HN LYS 39 4.704 -1.125 -4.988 167 HA LYS 39 HA LYS 39 4.996 1.146 -6.801 168 HB2 LYS 39 HB2 LYS 39 2.985 1.660 -5.488 169 HB3 LYS 39 HB1 LYS 39 3.883 1.408 -3.998 170 HG2 LYS 39 HG2 LYS 39 3.594 3.784 -4.519 171 HG3 LYS 39 HG1 LYS 39 5.295 3.317 -4.482 172 HD2 LYS 39 HD2 LYS 39 4.874 4.778 -6.370 173 HD3 LYS 39 HD1 LYS 39 5.285 3.160 -6.937 174 HE2 LYS 39 HE2 LYS 39 2.861 2.692 -7.204 175 HE3 LYS 39 HE1 LYS 39 2.527 4.368 -6.763 176 HZ1 LYS 39 HZ1 LYS 39 2.548 4.060 -9.161 177 HZ2 LYS 39 HZ2 LYS 39 4.140 3.484 -9.095 178 HZ3 LYS 39 HZ3 LYS 39 3.804 5.093 -8.679 179 H LYS 40 HN LYS 40 6.987 1.906 -6.753 180 HA LYS 40 HA LYS 40 8.942 0.795 -5.013 181 HB2 LYS 40 HB2 LYS 40 10.479 2.362 -6.193 182 HB3 LYS 40 HB1 LYS 40 9.543 1.327 -7.262 183 HG2 LYS 40 HG2 LYS 40 7.968 3.214 -7.608 184 HG3 LYS 40 HG1 LYS 40 9.065 4.236 -6.675 185 HD2 LYS 40 HD2 LYS 40 9.647 2.817 -9.272 186 HD3 LYS 40 HD1 LYS 40 9.536 4.560 -9.007 187 HE2 LYS 40 HE2 LYS 40 11.484 4.420 -7.503 188 HE3 LYS 40 HE1 LYS 40 11.604 2.691 -7.847 189 HZ1 LYS 40 HZ1 LYS 40 11.840 4.861 -9.869 190 HZ2 LYS 40 HZ2 LYS 40 12.038 3.202 -10.157 191 HZ3 LYS 40 HZ3 LYS 40 13.143 4.030 -9.174 192 H ALA 41 HN ALA 41 10.330 1.938 -3.578 193 HA ALA 41 HA ALA 41 8.933 3.499 -1.698 194 HB1 ALA 41 HB1 ALA 41 11.898 3.019 -1.990 195 HB2 ALA 41 HB2 ALA 41 10.761 2.062 -1.041 196 HB3 ALA 41 HB3 ALA 41 11.116 3.724 -0.577 197 H GLY 42 HN GLY 42 9.016 5.643 -1.179 198 HA2 GLY 42 HA2 GLY 42 9.727 7.878 -1.368 199 HA3 GLY 42 HA1 GLY 42 10.595 7.456 -2.836 200 H TRP 43 HN TRP 43 7.973 5.997 -3.595 201 HA TRP 43 HA TRP 43 6.741 8.378 -4.792 202 HB2 TRP 43 HB2 TRP 43 6.798 5.491 -5.679 203 HB3 TRP 43 HB1 TRP 43 5.808 6.727 -6.451 204 HD1 TRP 43 HD1 TRP 43 9.583 6.183 -5.660 205 HE1 TRP 43 HE1 TRP 43 10.945 7.146 -7.623 206 HE3 TRP 43 HE3 TRP 43 5.735 8.052 -8.448 207 HZ2 TRP 43 HZ2 TRP 43 10.435 8.526 -10.042 208 HZ3 TRP 43 HZ3 TRP 43 6.253 9.180 -10.572 209 HH2 TRP 43 HH2 TRP 43 8.553 9.411 -11.350 210 H ALA 44 HN ALA 44 4.560 8.719 -4.694 211 HA ALA 44 HA ALA 44 3.192 7.507 -2.472 212 HB1 ALA 44 HB1 ALA 44 2.988 9.891 -2.875 213 HB2 ALA 44 HB2 ALA 44 1.413 9.115 -3.019 214 HB3 ALA 44 HB3 ALA 44 2.298 9.586 -4.467 215 H VAL 45 HN VAL 45 1.425 6.146 -2.554 216 HA VAL 45 HA VAL 45 0.621 5.199 -5.223 217 HB VAL 45 HB VAL 45 2.144 3.587 -4.085 218 HG11 VAL 45 HG11 VAL 45 -0.102 3.283 -2.103 219 HG12 VAL 45 HG12 VAL 45 1.457 4.042 -1.779 220 HG13 VAL 45 HG13 VAL 45 1.379 2.324 -2.173 221 HG21 VAL 45 HG21 VAL 45 0.783 1.617 -4.496 222 HG22 VAL 45 HG22 VAL 45 0.517 2.842 -5.739 223 HG23 VAL 45 HG23 VAL 45 -0.677 2.606 -4.463 224 H ARG 46 HN ARG 46 -1.532 4.536 -5.434 225 HA ARG 46 HA ARG 46 -3.329 5.804 -3.553 226 HB2 ARG 46 HB2 ARG 46 -4.939 5.762 -5.218 227 HB3 ARG 46 HB1 ARG 46 -3.465 5.861 -6.164 228 HG2 ARG 46 HG2 ARG 46 -4.932 3.296 -5.579 229 HG3 ARG 46 HG1 ARG 46 -5.158 4.259 -7.035 230 HD2 ARG 46 HD2 ARG 46 -2.499 3.128 -6.179 231 HD3 ARG 46 HD1 ARG 46 -3.603 2.288 -7.263 232 HE ARG 46 HE ARG 46 -2.517 4.960 -7.902 233 HH11 ARG 46 HH11 ARG 46 -3.121 1.619 -8.751 234 HH12 ARG 46 HH12 ARG 46 -2.612 1.802 -10.400 235 HH21 ARG 46 HH21 ARG 46 -1.851 5.219 -10.081 236 HH22 ARG 46 HH22 ARG 46 -1.902 3.853 -11.161 237 H PHE 47 HN PHE 47 -4.783 4.786 -2.261 238 HA PHE 47 HA PHE 47 -5.098 1.878 -2.569 239 HB2 PHE 47 HB2 PHE 47 -4.929 3.470 -0.005 240 HB3 PHE 47 HB1 PHE 47 -5.523 1.815 -0.083 241 HD1 PHE 47 HD1 PHE 47 -3.886 0.149 -1.334 242 HD2 PHE 47 HD2 PHE 47 -2.730 3.794 0.528 243 HE1 PHE 47 HE1 PHE 47 -1.592 -0.704 -1.103 244 HE2 PHE 47 HE2 PHE 47 -0.433 2.949 0.760 245 HZ PHE 47 HZ PHE 47 0.137 0.699 -0.053 246 H TYR 48 HN TYR 48 -7.212 1.150 -2.524 247 HA TYR 48 HA TYR 48 -9.333 3.050 -1.971 248 HB2 TYR 48 HB2 TYR 48 -10.284 2.877 -4.246 249 HB3 TYR 48 HB1 TYR 48 -8.697 3.637 -4.254 250 HD1 TYR 48 HD2 TYR 48 -10.611 0.661 -5.217 251 HD2 TYR 48 HD1 TYR 48 -6.787 2.518 -5.271 252 HE1 TYR 48 HE2 TYR 48 -9.851 -0.968 -6.893 253 HE2 TYR 48 HE1 TYR 48 -6.015 0.894 -6.952 254 HH TYR 48 HH TYR 48 -8.123 -1.117 -8.667 255 H GLU 49 HN GLU 49 -11.403 2.128 -1.885 256 HA GLU 49 HA GLU 49 -11.511 -0.811 -2.048 257 HB2 GLU 49 HB2 GLU 49 -13.650 -0.614 -0.773 258 HB3 GLU 49 HB1 GLU 49 -12.256 -0.012 0.127 259 HG2 GLU 49 HG2 GLU 49 -12.890 2.277 -0.475 260 HG3 GLU 49 HG1 GLU 49 -14.287 1.643 -1.346 261 H GLU 50 HN GLU 50 -12.773 -1.740 -3.566 262 HA GLU 50 HA GLU 50 -14.399 0.065 -5.211 263 HB2 GLU 50 HB2 GLU 50 -12.845 -2.394 -5.917 264 HB3 GLU 50 HB1 GLU 50 -14.247 -1.939 -6.876 265 HG2 GLU 50 HG2 GLU 50 -13.148 0.354 -7.068 266 HG3 GLU 50 HG1 GLU 50 -11.688 -0.440 -6.481 267 H LYS 51 HN LYS 51 -16.330 -0.006 -4.327 268 HA LYS 51 HA LYS 51 -17.589 -2.518 -3.633 269 HB2 LYS 51 HB2 LYS 51 -18.618 0.329 -3.686 270 HB3 LYS 51 HB1 LYS 51 -19.538 -1.053 -3.108 271 HG2 LYS 51 HG2 LYS 51 -17.950 -1.415 -1.324 272 HG3 LYS 51 HG1 LYS 51 -16.927 -0.101 -1.918 273 HD2 LYS 51 HD2 LYS 51 -18.739 1.491 -1.502 274 HD3 LYS 51 HD1 LYS 51 -19.776 0.177 -0.943 275 HE2 LYS 51 HE2 LYS 51 -17.190 1.072 0.318 276 HE3 LYS 51 HE1 LYS 51 -18.812 1.385 0.938 277 HZ1 LYS 51 HZ1 LYS 51 -17.429 -1.232 0.719 278 HZ2 LYS 51 HZ2 LYS 51 -19.083 -1.087 1.051 279 HZ3 LYS 51 HZ3 LYS 51 -17.947 -0.450 2.132 280 HA PRO 52 HA PRO 52 -18.652 -3.529 -7.771 281 HB2 PRO 52 HB2 PRO 52 -21.082 -4.644 -6.443 282 HB3 PRO 52 HB1 PRO 52 -19.994 -5.398 -7.616 283 HG2 PRO 52 HG2 PRO 52 -19.824 -6.023 -5.045 284 HG3 PRO 52 HG1 PRO 52 -18.357 -5.815 -6.020 285 HD2 PRO 52 HD2 PRO 52 -19.552 -3.995 -3.985 286 HD3 PRO 52 HD1 PRO 52 -17.845 -4.289 -4.376 287 H GLY 53 HN GLY 53 -19.322 -2.028 -9.128 288 HA2 GLY 53 HA2 GLY 53 -21.089 -1.069 -10.395 289 HA3 GLY 53 HA1 GLY 53 -22.110 -1.121 -8.967 290 H GLN 54 HN GLN 54 -19.491 -0.021 -7.608 291 HA GLN 54 HA GLN 54 -20.200 2.795 -8.127 292 HB2 GLN 54 HB2 GLN 54 -19.057 1.609 -5.591 293 HB3 GLN 54 HB1 GLN 54 -19.667 3.243 -5.815 294 HG2 GLN 54 HG2 GLN 54 -21.906 2.414 -6.112 295 HG3 GLN 54 HG1 GLN 54 -21.333 0.751 -6.027 296 HE21 GLN 54 HE21 GLN 54 -22.571 0.209 -4.295 297 HE22 GLN 54 HE22 GLN 54 -22.297 0.816 -2.698 298 HA PRO 55 HA PRO 55 -15.904 3.662 -9.073 299 HB2 PRO 55 HB2 PRO 55 -15.615 6.106 -7.939 300 HB3 PRO 55 HB1 PRO 55 -16.481 5.852 -9.456 301 HG2 PRO 55 HG2 PRO 55 -17.574 6.174 -6.685 302 HG3 PRO 55 HG1 PRO 55 -18.145 6.893 -8.204 303 HD2 PRO 55 HD2 PRO 55 -19.342 4.741 -7.111 304 HD3 PRO 55 HD1 PRO 55 -19.215 4.958 -8.869 305 H LYS 56 HN LYS 56 -13.821 4.041 -7.995 306 HA LYS 56 HA LYS 56 -13.744 2.536 -5.569 307 HB2 LYS 56 HB2 LYS 56 -11.361 2.592 -5.776 308 HB3 LYS 56 HB1 LYS 56 -12.035 2.333 -7.376 309 HG2 LYS 56 HG2 LYS 56 -11.358 5.097 -6.503 310 HG3 LYS 56 HG1 LYS 56 -10.069 4.008 -7.010 311 HD2 LYS 56 HD2 LYS 56 -11.284 3.668 -9.150 312 HD3 LYS 56 HD1 LYS 56 -12.464 4.871 -8.626 313 HE2 LYS 56 HE2 LYS 56 -10.799 6.588 -8.568 314 HE3 LYS 56 HE1 LYS 56 -9.509 5.418 -8.842 315 HZ1 LYS 56 HZ1 LYS 56 -10.414 4.984 -11.039 316 HZ2 LYS 56 HZ2 LYS 56 -10.039 6.629 -10.858 317 HZ3 LYS 56 HZ3 LYS 56 -11.651 6.112 -10.779 318 H ARG 57 HN ARG 57 -13.339 3.200 -3.533 319 HA ARG 57 HA ARG 57 -13.368 6.098 -3.077 320 HB2 ARG 57 HB2 ARG 57 -15.067 4.628 -1.954 321 HB3 ARG 57 HB1 ARG 57 -13.748 3.869 -1.073 322 HG2 ARG 57 HG2 ARG 57 -14.810 5.512 0.322 323 HG3 ARG 57 HG1 ARG 57 -13.184 6.061 -0.093 324 HD2 ARG 57 HD2 ARG 57 -14.852 7.866 -0.244 325 HD3 ARG 57 HD1 ARG 57 -14.077 7.531 -1.794 326 HE ARG 57 HE ARG 57 -16.557 6.113 -1.371 327 HH11 ARG 57 HH11 ARG 57 -15.084 9.060 -2.534 328 HH12 ARG 57 HH12 ARG 57 -16.410 9.471 -3.575 329 HH21 ARG 57 HH21 ARG 57 -18.283 6.600 -2.794 330 HH22 ARG 57 HH22 ARG 57 -18.215 8.051 -3.759 331 H LEU 58 HN LEU 58 -11.540 7.103 -2.575 332 HA LEU 58 HA LEU 58 -9.076 5.817 -2.161 333 HB2 LEU 58 HB2 LEU 58 -10.090 8.574 -2.032 334 HB3 LEU 58 HB1 LEU 58 -8.703 8.261 -1.005 335 HG LEU 58 HG LEU 58 -8.728 7.610 -3.952 336 HD11 LEU 58 HD11 LEU 58 -7.682 10.082 -2.573 337 HD12 LEU 58 HD12 LEU 58 -9.093 10.014 -3.629 338 HD13 LEU 58 HD13 LEU 58 -7.488 9.683 -4.282 339 HD21 LEU 58 HD21 LEU 58 -6.375 7.402 -3.712 340 HD22 LEU 58 HD22 LEU 58 -7.084 6.483 -2.380 341 HD23 LEU 58 HD23 LEU 58 -6.411 8.085 -2.089 342 H VAL 59 HN VAL 59 -8.698 4.495 -0.524 343 HA VAL 59 HA VAL 59 -9.865 5.088 2.087 344 HB VAL 59 HB VAL 59 -9.279 2.835 2.742 345 HG11 VAL 59 HG11 VAL 59 -10.455 2.778 -0.032 346 HG12 VAL 59 HG12 VAL 59 -11.344 3.210 1.425 347 HG13 VAL 59 HG13 VAL 59 -10.689 1.584 1.245 348 HG21 VAL 59 HG21 VAL 59 -8.161 1.279 1.252 349 HG22 VAL 59 HG22 VAL 59 -7.130 2.680 1.559 350 HG23 VAL 59 HG23 VAL 59 -7.997 2.540 0.029 351 H ALA 60 HN ALA 60 -6.874 5.224 0.407 352 HA ALA 60 HA ALA 60 -5.664 6.706 2.477 353 HB1 ALA 60 HB1 ALA 60 -4.590 3.923 2.075 354 HB2 ALA 60 HB2 ALA 60 -5.371 4.557 3.520 355 HB3 ALA 60 HB3 ALA 60 -3.812 5.195 3.012 356 H ILE 61 HN ILE 61 -4.146 7.969 1.659 357 HA ILE 61 HA ILE 61 -2.803 7.162 -0.841 358 HB ILE 61 HB ILE 61 -2.854 9.913 0.440 359 HG12 ILE 61 HG12 ILE 61 -4.105 10.413 -1.810 360 HG13 ILE 61 HG11 ILE 61 -4.490 8.696 -1.764 361 HG21 ILE 61 HG21 ILE 61 -1.884 9.158 -2.303 362 HG22 ILE 61 HG22 ILE 61 -0.826 9.241 -0.895 363 HG23 ILE 61 HG23 ILE 61 -1.666 10.690 -1.456 364 HD11 ILE 61 HD11 ILE 61 -5.218 10.780 0.275 365 HD12 ILE 61 HD12 ILE 61 -5.472 9.051 0.482 366 HD13 ILE 61 HD13 ILE 61 -6.305 9.912 -0.812 367 H CYS 62 HN CYS 62 -0.842 6.244 -0.476 368 HA CYS 62 HA CYS 62 0.576 7.028 1.972 369 HB2 CYS 62 HB2 CYS 62 -0.893 4.992 2.312 370 HB3 CYS 62 HB1 CYS 62 0.166 4.143 1.190 371 H LYS 63 HN LYS 63 2.797 6.563 2.024 372 HA LYS 63 HA LYS 63 4.040 5.343 -0.290 373 HB2 LYS 63 HB2 LYS 63 5.531 7.205 -0.741 374 HB3 LYS 63 HB1 LYS 63 3.864 7.727 -0.920 375 HG2 LYS 63 HG2 LYS 63 3.962 8.783 1.286 376 HG3 LYS 63 HG1 LYS 63 5.643 8.266 1.449 377 HD2 LYS 63 HD2 LYS 63 5.820 10.467 0.688 378 HD3 LYS 63 HD1 LYS 63 6.022 9.495 -0.772 379 HE2 LYS 63 HE2 LYS 63 4.555 11.250 -1.361 380 HE3 LYS 63 HE1 LYS 63 3.554 9.812 -1.182 381 HZ1 LYS 63 HZ1 LYS 63 2.912 10.570 1.022 382 HZ2 LYS 63 HZ2 LYS 63 2.541 11.750 -0.140 383 HZ3 LYS 63 HZ3 LYS 63 3.897 11.944 0.860 384 H ASN 64 HN ASN 64 6.440 5.079 0.123 385 HA ASN 64 HA ASN 64 6.679 4.125 2.850 386 HB2 ASN 64 HB2 ASN 64 7.380 2.613 1.093 387 HB3 ASN 64 HB1 ASN 64 8.500 3.810 0.457 388 HD21 ASN 64 HD21 ASN 64 10.468 4.080 1.388 389 HD22 ASN 64 HD22 ASN 64 11.082 3.019 2.623 390 H ALA 65 HN ALA 65 8.048 4.861 4.386 391 HA ALA 65 HA ALA 65 8.500 7.514 4.666 392 HB1 ALA 65 HB1 ALA 65 10.362 5.467 5.830 393 HB2 ALA 65 HB2 ALA 65 8.720 5.717 6.407 394 HB3 ALA 65 HB3 ALA 65 9.897 7.025 6.513 395 H SER 66 HN SER 66 10.970 5.207 3.585 396 HA SER 66 HA SER 66 12.745 7.419 2.909 397 HB2 SER 66 HB2 SER 66 13.695 5.545 4.187 398 HB3 SER 66 HB1 SER 66 13.219 4.423 2.915 399 HG SER 66 HG SER 66 15.313 6.242 3.008 400 HA PRO 67 HA PRO 67 11.807 6.865 -1.446 401 HB2 PRO 67 HB2 PRO 67 13.665 8.534 -2.436 402 HB3 PRO 67 HB1 PRO 67 12.232 9.136 -1.592 403 HG2 PRO 67 HG2 PRO 67 15.028 8.798 -0.577 404 HG3 PRO 67 HG1 PRO 67 13.899 10.141 -0.320 405 HD2 PRO 67 HD2 PRO 67 14.339 8.142 1.503 406 HD3 PRO 67 HD1 PRO 67 12.830 9.069 1.399 407 H VAL 68 HN VAL 68 14.309 5.641 0.279 408 HA VAL 68 HA VAL 68 15.678 4.525 -2.080 409 HB VAL 68 HB VAL 68 16.769 4.869 0.716 410 HG11 VAL 68 HG11 VAL 68 18.953 4.364 -0.591 411 HG12 VAL 68 HG12 VAL 68 17.861 3.616 -1.759 412 HG13 VAL 68 HG13 VAL 68 17.904 3.036 -0.098 413 HG21 VAL 68 HG21 VAL 68 18.259 6.553 -0.294 414 HG22 VAL 68 HG22 VAL 68 16.558 7.012 -0.382 415 HG23 VAL 68 HG23 VAL 68 17.378 6.390 -1.815 416 H HIS 69 HN HIS 69 15.707 3.550 1.302 417 HA HIS 69 HA HIS 69 15.092 0.807 0.544 418 HB2 HIS 69 HB2 HIS 69 15.857 2.018 3.201 419 HB3 HIS 69 HB1 HIS 69 15.481 0.324 2.978 420 HD1 HIS 69 HD1 HIS 69 18.216 2.778 2.626 421 HD2 HIS 69 HD2 HIS 69 17.393 -1.125 1.429 422 HE1 HIS 69 HE1 HIS 69 20.421 1.803 1.908 423 HE2 HIS 69 HE2 HIS 69 19.896 -0.537 1.134 424 H CYS 70 HN CYS 70 13.564 -0.412 1.949 425 HA CYS 70 HA CYS 70 11.119 1.171 2.306 426 HB2 CYS 70 HB2 CYS 70 11.516 -1.817 2.051 427 HB3 CYS 70 HB1 CYS 70 9.959 -1.036 2.309 428 HG CYS 70 HG CYS 70 11.744 0.017 -0.357 429 H ASN 71 HN ASN 71 10.342 1.593 4.260 430 HA ASN 71 HA ASN 71 11.452 0.105 6.560 431 HB2 ASN 71 HB2 ASN 71 10.826 3.067 6.498 432 HB3 ASN 71 HB1 ASN 71 11.470 2.167 7.862 433 HD21 ASN 71 HD21 ASN 71 12.495 4.493 6.441 434 HD22 ASN 71 HD22 ASN 71 14.097 4.056 5.921 435 H TYR 72 HN TYR 72 9.227 2.781 6.597 436 HA TYR 72 HA TYR 72 6.978 0.982 7.162 437 HB2 TYR 72 HB2 TYR 72 7.590 3.578 8.600 438 HB3 TYR 72 HB1 TYR 72 6.152 2.595 8.833 439 HD1 TYR 72 HD2 TYR 72 6.330 0.380 9.924 440 HD2 TYR 72 HD1 TYR 72 9.658 3.015 9.657 441 HE1 TYR 72 HE2 TYR 72 7.478 -0.902 11.680 442 HE2 TYR 72 HE1 TYR 72 10.819 1.737 11.407 443 HH TYR 72 HH TYR 72 9.752 -1.327 12.455 444 H LEU 73 HN LEU 73 4.892 2.439 7.103 445 HA LEU 73 HA LEU 73 5.090 3.895 4.565 446 HB2 LEU 73 HB2 LEU 73 2.823 2.298 5.730 447 HB3 LEU 73 HB1 LEU 73 2.647 3.337 4.332 448 HG LEU 73 HG LEU 73 4.247 0.802 4.566 449 HD11 LEU 73 HD11 LEU 73 2.881 0.187 2.596 450 HD12 LEU 73 HD12 LEU 73 2.003 1.711 2.763 451 HD13 LEU 73 HD13 LEU 73 1.920 0.496 4.041 452 HD21 LEU 73 HD21 LEU 73 5.668 2.390 3.428 453 HD22 LEU 73 HD22 LEU 73 4.343 2.863 2.368 454 HD23 LEU 73 HD23 LEU 73 5.017 1.236 2.263 455 H LYS 74 HN LYS 74 4.520 5.928 4.458 456 HA LYS 74 HA LYS 74 3.060 7.143 6.700 457 HB2 LYS 74 HB2 LYS 74 4.919 8.192 4.604 458 HB3 LYS 74 HB1 LYS 74 3.669 9.270 5.204 459 HG2 LYS 74 HG2 LYS 74 5.742 9.620 6.394 460 HG3 LYS 74 HG1 LYS 74 4.511 8.983 7.481 461 HD2 LYS 74 HD2 LYS 74 5.496 6.775 7.352 462 HD3 LYS 74 HD1 LYS 74 6.675 7.342 6.168 463 HE2 LYS 74 HE2 LYS 74 7.658 7.200 8.401 464 HE3 LYS 74 HE1 LYS 74 7.622 8.865 7.821 465 HZ1 LYS 74 HZ1 LYS 74 6.940 8.778 10.108 466 HZ2 LYS 74 HZ2 LYS 74 5.736 7.633 9.763 467 HZ3 LYS 74 HZ3 LYS 74 5.604 9.213 9.157 468 H CYS 75 HN CYS 75 0.930 6.860 6.362 469 HA CYS 75 HA CYS 75 -0.103 7.447 3.666 470 HB2 CYS 75 HB2 CYS 75 -1.729 5.900 5.624 471 HB3 CYS 75 HB1 CYS 75 -1.671 5.783 3.871 472 H THR 76 HN THR 76 -1.850 8.784 3.460 473 HA THR 76 HA THR 76 -2.895 10.002 5.924 474 HB THR 76 HB THR 76 -1.306 11.498 4.609 475 HG1 THR 76 HG1 THR 76 -2.768 12.417 6.058 476 HG21 THR 76 HG21 THR 76 -3.624 11.548 2.673 477 HG22 THR 76 HG22 THR 76 -2.023 10.882 2.359 478 HG23 THR 76 HG23 THR 76 -2.219 12.614 2.628 479 H ASN 77 HN ASN 77 -5.090 10.938 5.612 480 HA ASN 77 HA ASN 77 -7.289 10.580 5.174 481 HB2 ASN 77 HB2 ASN 77 -6.608 11.479 2.952 482 HB3 ASN 77 HB1 ASN 77 -6.358 9.832 2.392 483 HD21 ASN 77 HD21 ASN 77 -8.170 8.488 2.080 484 HD22 ASN 77 HD22 ASN 77 -9.763 9.141 1.921 485 H LEU 78 HN LEU 78 -6.905 8.761 6.665 486 HA LEU 78 HA LEU 78 -6.992 6.108 5.450 487 HB2 LEU 78 HB2 LEU 78 -6.914 6.972 8.343 488 HB3 LEU 78 HB1 LEU 78 -6.924 5.304 7.805 489 HG LEU 78 HG LEU 78 -4.752 7.306 7.178 490 HD11 LEU 78 HD11 LEU 78 -4.773 6.755 9.537 491 HD12 LEU 78 HD12 LEU 78 -3.398 5.986 8.744 492 HD13 LEU 78 HD13 LEU 78 -4.824 5.034 9.158 493 HD21 LEU 78 HD21 LEU 78 -3.524 5.412 6.316 494 HD22 LEU 78 HD22 LEU 78 -5.068 5.549 5.473 495 HD23 LEU 78 HD23 LEU 78 -4.851 4.327 6.725 496 H ALA 79 HN ALA 79 -8.786 4.932 5.230 497 HA ALA 79 HA ALA 79 -11.298 6.268 5.880 498 HB1 ALA 79 HB1 ALA 79 -12.319 4.710 4.314 499 HB2 ALA 79 HB2 ALA 79 -10.784 3.860 4.143 500 HB3 ALA 79 HB3 ALA 79 -10.938 5.526 3.583 501 H ALA 80 HN ALA 80 -10.909 5.732 8.174 502 HA ALA 80 HA ALA 80 -11.598 4.700 10.059 503 HB1 ALA 80 HB1 ALA 80 -13.605 3.365 9.988 504 HB2 ALA 80 HB2 ALA 80 -13.424 3.128 8.250 505 HB3 ALA 80 HB3 ALA 80 -13.764 4.736 8.889 506 H GLY 81 HN GLY 81 -12.316 1.759 8.310 507 HA2 GLY 81 HA2 GLY 81 -10.359 0.369 9.973 508 HA3 GLY 81 HA1 GLY 81 -11.646 -0.375 9.035 509 H PHE 82 HN PHE 82 -10.298 1.826 7.052 510 HA PHE 82 HA PHE 82 -8.546 -0.172 5.829 511 HB2 PHE 82 HB2 PHE 82 -9.804 2.333 4.706 512 HB3 PHE 82 HB1 PHE 82 -8.671 1.320 3.825 513 HD1 PHE 82 HD2 PHE 82 -9.321 -0.867 3.010 514 HD2 PHE 82 HD1 PHE 82 -12.052 1.610 5.129 515 HE1 PHE 82 HE2 PHE 82 -11.187 -2.272 2.233 516 HE2 PHE 82 HE1 PHE 82 -13.927 0.213 4.357 517 HZ PHE 82 HZ PHE 82 -13.496 -1.730 2.906 518 H SER 83 HN SER 83 -6.552 -0.013 6.527 519 HA SER 83 HA SER 83 -5.170 2.552 6.221 520 HB2 SER 83 HB2 SER 83 -4.819 0.699 8.600 521 HB3 SER 83 HB1 SER 83 -3.913 2.181 8.301 522 HG SER 83 HG SER 83 -6.509 2.757 8.176 523 H ALA 84 HN ALA 84 -2.660 2.000 6.289 524 HA ALA 84 HA ALA 84 -2.466 -0.274 4.447 525 HB1 ALA 84 HB1 ALA 84 -0.449 0.811 3.577 526 HB2 ALA 84 HB2 ALA 84 -0.632 2.099 4.768 527 HB3 ALA 84 HB3 ALA 84 -1.848 1.883 3.511 528 H GLY 85 HN GLY 85 -0.318 -1.426 4.430 529 HA2 GLY 85 HA2 GLY 85 0.843 -1.661 7.122 530 HA3 GLY 85 HA1 GLY 85 0.119 -3.086 6.393 531 H THR 86 HN THR 86 2.457 -3.714 6.928 532 HA THR 86 HA THR 86 4.621 -2.716 5.442 533 HB THR 86 HB THR 86 4.876 -4.084 7.488 534 HG1 THR 86 HG1 THR 86 6.484 -5.639 6.297 535 HG21 THR 86 HG21 THR 86 3.081 -5.736 6.692 536 HG22 THR 86 HG22 THR 86 4.469 -6.385 7.566 537 HG23 THR 86 HG23 THR 86 4.389 -6.521 5.808 538 H SER 87 HN SER 87 5.877 -4.003 3.875 539 HA SER 87 HA SER 87 4.049 -4.442 1.652 540 HB2 SER 87 HB2 SER 87 6.246 -4.199 0.337 541 HB3 SER 87 HB1 SER 87 5.631 -2.769 1.168 542 HG SER 87 HG SER 87 7.420 -4.494 2.486 543 H THR 88 HN THR 88 4.137 -6.222 0.287 544 HA THR 88 HA THR 88 5.765 -8.485 1.226 545 HB THR 88 HB THR 88 3.841 -9.981 0.732 546 HG1 THR 88 HG1 THR 88 2.476 -8.730 -0.483 547 HG21 THR 88 HG21 THR 88 3.489 -7.923 2.910 548 HG22 THR 88 HG22 THR 88 4.366 -9.449 3.024 549 HG23 THR 88 HG23 THR 88 2.613 -9.450 2.830 550 H ASP 89 HN ASP 89 4.680 -10.340 -0.556 551 HA ASP 89 HA ASP 89 4.685 -11.177 -2.629 552 HB2 ASP 89 HB2 ASP 89 3.253 -9.359 -3.331 553 HB3 ASP 89 HB1 ASP 89 4.641 -8.297 -3.533 554 H VAL 90 HN VAL 90 6.597 -8.332 -3.465 555 HA VAL 90 HA VAL 90 8.469 -9.961 -4.802 556 HB VAL 90 HB VAL 90 9.820 -7.737 -4.888 557 HG11 VAL 90 HG11 VAL 90 8.399 -6.951 -6.712 558 HG12 VAL 90 HG12 VAL 90 7.086 -7.979 -6.137 559 HG13 VAL 90 HG13 VAL 90 8.572 -8.704 -6.756 560 HG21 VAL 90 HG21 VAL 90 7.242 -6.903 -3.615 561 HG22 VAL 90 HG22 VAL 90 8.059 -5.822 -4.746 562 HG23 VAL 90 HG23 VAL 90 8.887 -6.356 -3.274 563 H LEU 91 HN LEU 91 8.702 -8.134 -1.764 564 HA LEU 91 HA LEU 91 11.333 -9.262 -1.290 565 HB2 LEU 91 HB2 LEU 91 11.389 -7.856 0.694 566 HB3 LEU 91 HB1 LEU 91 10.987 -6.931 -0.739 567 HG LEU 91 HG LEU 91 8.504 -7.433 0.160 568 HD11 LEU 91 HD11 LEU 91 10.217 -7.301 2.636 569 HD12 LEU 91 HD12 LEU 91 9.238 -8.672 2.114 570 HD13 LEU 91 HD13 LEU 91 8.459 -7.163 2.592 571 HD21 LEU 91 HD21 LEU 91 8.569 -5.192 1.150 572 HD22 LEU 91 HD22 LEU 91 9.399 -5.260 -0.403 573 HD23 LEU 91 HD23 LEU 91 10.332 -5.228 1.095 574 H SER 92 HN SER 92 8.046 -9.844 -0.305 575 HA SER 92 HA SER 92 8.742 -11.197 2.125 576 HB2 SER 92 HB2 SER 92 6.544 -9.984 1.589 577 HB3 SER 92 HB1 SER 92 6.109 -11.428 0.676 578 HG SER 92 HG SER 92 6.534 -12.614 2.674 579 H SER 93 HN SER 93 7.485 -12.294 -1.041 580 HA SER 93 HA SER 93 7.551 -14.286 -2.115 581 HB2 SER 93 HB2 SER 93 10.030 -14.132 -1.443 582 HB3 SER 93 HB1 SER 93 9.628 -15.266 -0.154 583 HG SER 93 HG SER 93 9.155 -16.811 -1.634 584 H GLY 94 HN GLY 94 5.872 -15.590 -1.960 585 HA2 GLY 94 HA2 GLY 94 4.594 -17.356 -0.988 586 HA3 GLY 94 HA1 GLY 94 5.330 -16.989 0.571 587 H THR 95 HN THR 95 3.964 -14.718 -1.695 588 HA THR 95 HA THR 95 1.774 -14.052 0.101 589 HB THR 95 HB THR 95 2.588 -11.581 -0.298 590 HG1 THR 95 HG1 THR 95 4.577 -12.979 -1.366 591 HG21 THR 95 HG21 THR 95 2.462 -12.235 1.906 592 HG22 THR 95 HG22 THR 95 4.170 -11.871 1.736 593 HG23 THR 95 HG23 THR 95 3.612 -13.545 1.712 594 H VAL 96 HN VAL 96 0.083 -12.916 -0.951 595 HA VAL 96 HA VAL 96 0.115 -13.116 -3.857 596 HB VAL 96 HB VAL 96 -2.127 -12.256 -2.012 597 HG11 VAL 96 HG11 VAL 96 -2.405 -11.394 -4.276 598 HG12 VAL 96 HG12 VAL 96 -3.588 -12.660 -3.939 599 HG13 VAL 96 HG13 VAL 96 -2.173 -13.015 -4.932 600 HG21 VAL 96 HG21 VAL 96 -1.447 -14.565 -1.607 601 HG22 VAL 96 HG22 VAL 96 -1.609 -14.921 -3.327 602 HG23 VAL 96 HG23 VAL 96 -3.033 -14.499 -2.376 603 H GLY 97 HN GLY 97 0.852 -11.462 -5.033 604 HA2 GLY 97 HA2 GLY 97 0.224 -8.732 -4.122 605 HA3 GLY 97 HA1 GLY 97 1.872 -9.154 -4.557 606 H SER 98 HN SER 98 1.035 -7.136 -5.893 607 HA SER 98 HA SER 98 -0.100 -8.068 -8.427 608 HB2 SER 98 HB2 SER 98 0.393 -5.239 -7.447 609 HB3 SER 98 HB1 SER 98 -0.427 -5.689 -8.941 610 HG SER 98 HG SER 98 -1.323 -5.803 -6.298 Start of MODEL 6 1 H1 SER 19 HT1 SER 19 19.765 -0.566 -2.717 2 H2 SER 19 HT2 SER 19 21.379 -0.063 -2.786 3 H3 SER 19 HT3 SER 19 20.259 0.534 -3.909 4 HA SER 19 HA SER 19 20.289 1.044 -0.995 5 HB2 SER 19 HB2 SER 19 20.669 2.951 -3.317 6 HB3 SER 19 HB1 SER 19 20.804 3.335 -1.598 7 HG SER 19 HG SER 19 22.769 2.706 -3.075 8 H PHE 20 HN PHE 20 18.845 2.324 -4.010 9 HA PHE 20 HA PHE 20 16.369 2.926 -2.658 10 HB2 PHE 20 HB2 PHE 20 17.040 2.945 -5.610 11 HB3 PHE 20 HB1 PHE 20 15.565 3.581 -4.902 12 HD1 PHE 20 HD2 PHE 20 19.208 4.081 -5.181 13 HD2 PHE 20 HD1 PHE 20 15.496 5.721 -3.908 14 HE1 PHE 20 HE2 PHE 20 20.278 6.276 -4.900 15 HE2 PHE 20 HE1 PHE 20 16.559 7.922 -3.626 16 HZ PHE 20 HZ PHE 20 18.949 8.201 -4.121 17 H VAL 21 HN VAL 21 14.448 1.812 -2.829 18 HA VAL 21 HA VAL 21 14.515 -0.760 -4.201 19 HB VAL 21 HB VAL 21 15.337 -1.375 -2.078 20 HG11 VAL 21 HG11 VAL 21 13.046 0.103 -0.800 21 HG12 VAL 21 HG12 VAL 21 14.691 0.721 -0.957 22 HG13 VAL 21 HG13 VAL 21 14.379 -0.719 0.018 23 HG21 VAL 21 HG21 VAL 21 13.536 -2.821 -2.980 24 HG22 VAL 21 HG22 VAL 21 12.377 -1.942 -1.979 25 HG23 VAL 21 HG23 VAL 21 13.667 -2.879 -1.222 26 H GLN 22 HN GLN 22 12.614 -1.446 -4.964 27 HA GLN 22 HA GLN 22 10.230 0.171 -4.391 28 HB2 GLN 22 HB2 GLN 22 9.373 -0.821 -6.550 29 HB3 GLN 22 HB1 GLN 22 10.754 0.252 -6.719 30 HG2 GLN 22 HG2 GLN 22 11.447 -1.418 -8.075 31 HG3 GLN 22 HG1 GLN 22 12.076 -2.040 -6.551 32 HE21 GLN 22 HE21 GLN 22 8.690 -2.007 -7.482 33 HE22 GLN 22 HE22 GLN 22 8.518 -3.732 -7.612 34 H CYS 23 HN CYS 23 8.246 -0.901 -3.894 35 HA CYS 23 HA CYS 23 8.404 -3.760 -3.359 36 HB2 CYS 23 HB2 CYS 23 7.734 -3.409 -0.971 37 HB3 CYS 23 HB1 CYS 23 9.368 -2.881 -1.353 38 HG CYS 23 HG CYS 23 8.408 -1.035 0.425 39 H ASN 24 HN ASN 24 6.429 -4.778 -3.032 40 HA ASN 24 HA ASN 24 4.115 -3.466 -4.073 41 HB2 ASN 24 HB2 ASN 24 3.008 -5.659 -3.085 42 HB3 ASN 24 HB1 ASN 24 3.970 -5.719 -4.556 43 HD21 ASN 24 HD21 ASN 24 6.028 -6.626 -4.479 44 HD22 ASN 24 HD22 ASN 24 6.548 -7.627 -3.167 45 H HIS 25 HN HIS 25 2.983 -2.080 -3.014 46 HA HIS 25 HA HIS 25 3.159 -1.853 -0.146 47 HB2 HIS 25 HB2 HIS 25 1.909 -0.263 -2.360 48 HB3 HIS 25 HB1 HIS 25 1.483 0.076 -0.691 49 HD1 HIS 25 HD1 HIS 25 4.819 -0.475 -2.489 50 HD2 HIS 25 HD2 HIS 25 2.982 2.133 0.180 51 HE1 HIS 25 HE1 HIS 25 6.561 1.235 -1.904 52 HE2 HIS 25 HE2 HIS 25 5.482 2.690 -0.164 53 H HIS 26 HN HIS 26 1.980 -3.198 1.070 54 HA HIS 26 HA HIS 26 -0.530 -4.265 0.093 55 HB2 HIS 26 HB2 HIS 26 0.962 -4.716 2.686 56 HB3 HIS 26 HB1 HIS 26 -0.561 -5.499 2.283 57 HD1 HIS 26 HD1 HIS 26 -0.355 -7.707 1.146 58 HD2 HIS 26 HD2 HIS 26 3.095 -5.424 0.747 59 HE1 HIS 26 HE1 HIS 26 1.304 -9.189 -0.012 60 HE2 HIS 26 HE2 HIS 26 3.430 -7.849 -0.085 61 H LEU 27 HN LEU 27 -2.443 -3.436 0.457 62 HA LEU 27 HA LEU 27 -2.758 -1.343 2.493 63 HB2 LEU 27 HB2 LEU 27 -3.493 -1.119 0.015 64 HB3 LEU 27 HB1 LEU 27 -4.813 -2.196 0.453 65 HG LEU 27 HG LEU 27 -5.448 0.205 0.429 66 HD11 LEU 27 HD11 LEU 27 -6.651 0.214 2.519 67 HD12 LEU 27 HD12 LEU 27 -5.564 -1.015 3.175 68 HD13 LEU 27 HD13 LEU 27 -6.655 -1.418 1.841 69 HD21 LEU 27 HD21 LEU 27 -3.291 1.091 1.217 70 HD22 LEU 27 HD22 LEU 27 -3.633 0.438 2.818 71 HD23 LEU 27 HD23 LEU 27 -4.662 1.699 2.143 72 H LEU 28 HN LEU 28 -4.016 -1.644 4.254 73 HA LEU 28 HA LEU 28 -5.068 -4.358 4.618 74 HB2 LEU 28 HB2 LEU 28 -3.346 -2.854 6.195 75 HB3 LEU 28 HB1 LEU 28 -4.890 -2.739 7.021 76 HG LEU 28 HG LEU 28 -3.662 -4.586 7.930 77 HD11 LEU 28 HD11 LEU 28 -5.220 -6.426 7.542 78 HD12 LEU 28 HD12 LEU 28 -5.863 -5.580 6.134 79 HD13 LEU 28 HD13 LEU 28 -6.066 -4.891 7.746 80 HD21 LEU 28 HD21 LEU 28 -2.115 -5.079 6.209 81 HD22 LEU 28 HD22 LEU 28 -3.407 -5.454 5.070 82 HD23 LEU 28 HD23 LEU 28 -3.093 -6.532 6.431 83 H TYR 29 HN TYR 29 -7.112 -4.575 4.451 84 HA TYR 29 HA TYR 29 -8.953 -2.351 4.926 85 HB2 TYR 29 HB2 TYR 29 -9.251 -3.558 2.818 86 HB3 TYR 29 HB1 TYR 29 -9.317 -5.096 3.676 87 HD1 TYR 29 HD1 TYR 29 -11.148 -2.010 2.891 88 HD2 TYR 29 HD2 TYR 29 -11.346 -5.837 4.730 89 HE1 TYR 29 HE1 TYR 29 -13.598 -1.831 2.988 90 HE2 TYR 29 HE2 TYR 29 -13.795 -5.668 4.836 91 HH TYR 29 HH TYR 29 -15.510 -3.832 4.883 92 H ASN 30 HN ASN 30 -10.590 -2.525 6.495 93 HA ASN 30 HA ASN 30 -9.906 -3.813 8.873 94 HB2 ASN 30 HB2 ASN 30 -12.611 -2.797 7.961 95 HB3 ASN 30 HB1 ASN 30 -12.229 -3.269 9.612 96 HD21 ASN 30 HD21 ASN 30 -12.669 -1.236 10.422 97 HD22 ASN 30 HD22 ASN 30 -11.626 0.117 10.142 98 H GLY 31 HN GLY 31 -9.607 -5.965 8.841 99 HA2 GLY 31 HA2 GLY 31 -11.137 -7.950 9.318 100 HA3 GLY 31 HA1 GLY 31 -11.733 -7.644 7.694 101 H ARG 32 HN ARG 32 -9.256 -7.046 6.425 102 HA ARG 32 HA ARG 32 -7.349 -9.094 6.757 103 HB2 ARG 32 HB2 ARG 32 -9.325 -10.506 6.158 104 HB3 ARG 32 HB1 ARG 32 -9.405 -9.677 4.612 105 HG2 ARG 32 HG2 ARG 32 -8.334 -11.847 4.403 106 HG3 ARG 32 HG1 ARG 32 -7.204 -10.547 4.023 107 HD2 ARG 32 HD2 ARG 32 -6.331 -10.716 6.350 108 HD3 ARG 32 HD1 ARG 32 -7.369 -12.120 6.592 109 HE ARG 32 HE ARG 32 -6.007 -12.883 4.438 110 HH11 ARG 32 HH11 ARG 32 -4.853 -11.301 7.345 111 HH12 ARG 32 HH12 ARG 32 -3.325 -12.134 7.340 112 HH21 ARG 32 HH21 ARG 32 -3.998 -13.948 4.410 113 HH22 ARG 32 HH22 ARG 32 -2.829 -13.642 5.668 114 H HIS 33 HN HIS 33 -5.875 -9.285 4.889 115 HA HIS 33 HA HIS 33 -4.956 -7.060 3.659 116 HB2 HIS 33 HB2 HIS 33 -3.630 -8.962 3.458 117 HB3 HIS 33 HB1 HIS 33 -4.960 -9.960 2.898 118 HD1 HIS 33 HD1 HIS 33 -4.710 -10.627 0.555 119 HD2 HIS 33 HD2 HIS 33 -3.041 -6.875 1.239 120 HE1 HIS 33 HE1 HIS 33 -3.731 -9.911 -1.638 121 HE2 HIS 33 HE2 HIS 33 -2.943 -7.555 -1.268 122 H TRP 34 HN TRP 34 -5.593 -5.700 2.123 123 HA TRP 34 HA TRP 34 -8.106 -6.291 0.742 124 HB2 TRP 34 HB2 TRP 34 -7.953 -4.273 2.153 125 HB3 TRP 34 HB1 TRP 34 -6.651 -3.671 1.137 126 HD1 TRP 34 HD1 TRP 34 -7.489 -1.838 -0.393 127 HE1 TRP 34 HE1 TRP 34 -9.657 -1.330 -1.665 128 HE3 TRP 34 HE3 TRP 34 -10.234 -5.927 0.998 129 HZ2 TRP 34 HZ2 TRP 34 -12.192 -2.505 -2.049 130 HZ3 TRP 34 HZ3 TRP 34 -12.521 -6.159 0.127 131 HH2 TRP 34 HH2 TRP 34 -13.481 -4.482 -1.365 132 H GLY 35 HN GLY 35 -4.982 -4.687 -0.014 133 HA2 GLY 35 HA2 GLY 35 -4.857 -5.981 -2.585 134 HA3 GLY 35 HA1 GLY 35 -5.309 -4.286 -2.697 135 H THR 36 HN THR 36 -3.107 -4.797 -3.996 136 HA THR 36 HA THR 36 -1.048 -3.552 -2.400 137 HB THR 36 HB THR 36 -1.074 -6.392 -2.981 138 HG1 THR 36 HG1 THR 36 -0.010 -4.584 -1.237 139 HG21 THR 36 HG21 THR 36 0.318 -5.820 -4.878 140 HG22 THR 36 HG22 THR 36 1.282 -6.615 -3.632 141 HG23 THR 36 HG23 THR 36 1.380 -4.866 -3.847 142 H ILE 37 HN ILE 37 0.120 -2.170 -3.564 143 HA ILE 37 HA ILE 37 0.094 -2.411 -6.497 144 HB ILE 37 HB ILE 37 0.139 0.136 -4.851 145 HG12 ILE 37 HG12 ILE 37 -1.904 0.633 -6.344 146 HG13 ILE 37 HG11 ILE 37 -1.913 -1.095 -6.686 147 HG21 ILE 37 HG21 ILE 37 0.371 -0.207 -7.844 148 HG22 ILE 37 HG22 ILE 37 1.647 0.332 -6.754 149 HG23 ILE 37 HG23 ILE 37 0.215 1.332 -6.997 150 HD11 ILE 37 HD11 ILE 37 -2.239 -1.582 -4.341 151 HD12 ILE 37 HD12 ILE 37 -3.484 -0.476 -4.923 152 HD13 ILE 37 HD13 ILE 37 -2.146 0.135 -3.952 153 H ARG 38 HN ARG 38 2.063 -2.373 -7.511 154 HA ARG 38 HA ARG 38 4.417 -2.556 -5.844 155 HB2 ARG 38 HB2 ARG 38 3.843 -3.891 -8.004 156 HB3 ARG 38 HB1 ARG 38 4.430 -2.466 -8.846 157 HG2 ARG 38 HG2 ARG 38 6.208 -4.008 -8.736 158 HG3 ARG 38 HG1 ARG 38 6.576 -2.705 -7.607 159 HD2 ARG 38 HD2 ARG 38 7.079 -4.939 -6.688 160 HD3 ARG 38 HD1 ARG 38 5.870 -4.073 -5.741 161 HE ARG 38 HE ARG 38 4.191 -5.471 -6.977 162 HH11 ARG 38 HH11 ARG 38 7.499 -6.573 -6.703 163 HH12 ARG 38 HH12 ARG 38 7.068 -8.258 -6.606 164 HH21 ARG 38 HH21 ARG 38 3.615 -7.668 -6.932 165 HH22 ARG 38 HH22 ARG 38 4.857 -8.889 -6.823 166 H LYS 39 HN LYS 39 5.185 -0.669 -5.058 167 HA LYS 39 HA LYS 39 5.760 1.481 -6.961 168 HB2 LYS 39 HB2 LYS 39 3.638 2.086 -5.895 169 HB3 LYS 39 HB1 LYS 39 4.357 1.872 -4.307 170 HG2 LYS 39 HG2 LYS 39 4.195 4.227 -4.859 171 HG3 LYS 39 HG1 LYS 39 5.885 3.736 -4.748 172 HD2 LYS 39 HD2 LYS 39 5.760 5.099 -6.661 173 HD3 LYS 39 HD1 LYS 39 5.808 3.446 -7.274 174 HE2 LYS 39 HE2 LYS 39 4.139 4.549 -8.525 175 HE3 LYS 39 HE1 LYS 39 3.281 3.546 -7.359 176 HZ1 LYS 39 HZ1 LYS 39 2.971 5.513 -5.971 177 HZ2 LYS 39 HZ2 LYS 39 2.302 5.742 -7.508 178 HZ3 LYS 39 HZ3 LYS 39 3.782 6.466 -7.111 179 H LYS 40 HN LYS 40 7.569 2.681 -6.492 180 HA LYS 40 HA LYS 40 9.565 1.478 -4.877 181 HB2 LYS 40 HB2 LYS 40 9.499 4.245 -6.099 182 HB3 LYS 40 HB1 LYS 40 10.932 3.413 -5.505 183 HG2 LYS 40 HG2 LYS 40 10.650 1.697 -7.220 184 HG3 LYS 40 HG1 LYS 40 9.214 2.532 -7.816 185 HD2 LYS 40 HD2 LYS 40 11.141 3.066 -9.195 186 HD3 LYS 40 HD1 LYS 40 10.582 4.498 -8.329 187 HE2 LYS 40 HE2 LYS 40 12.344 4.234 -6.693 188 HE3 LYS 40 HE1 LYS 40 12.882 2.748 -7.474 189 HZ1 LYS 40 HZ1 LYS 40 12.914 5.477 -8.647 190 HZ2 LYS 40 HZ2 LYS 40 13.340 4.069 -9.484 191 HZ3 LYS 40 HZ3 LYS 40 14.271 4.579 -8.159 192 H ALA 41 HN ALA 41 10.548 2.244 -2.997 193 HA ALA 41 HA ALA 41 8.805 3.299 -1.040 194 HB1 ALA 41 HB1 ALA 41 11.781 2.844 -1.049 195 HB2 ALA 41 HB2 ALA 41 10.526 1.822 -0.346 196 HB3 ALA 41 HB3 ALA 41 10.882 3.395 0.362 197 H GLY 42 HN GLY 42 8.551 5.303 -0.246 198 HA2 GLY 42 HA2 GLY 42 9.176 7.545 0.187 199 HA3 GLY 42 HA1 GLY 42 10.336 7.445 -1.129 200 H TRP 43 HN TRP 43 8.275 6.172 -2.857 201 HA TRP 43 HA TRP 43 7.061 8.643 -3.783 202 HB2 TRP 43 HB2 TRP 43 7.254 5.883 -4.999 203 HB3 TRP 43 HB1 TRP 43 6.392 7.220 -5.754 204 HD1 TRP 43 HD1 TRP 43 9.985 6.318 -4.618 205 HE1 TRP 43 HE1 TRP 43 11.636 7.591 -6.125 206 HE3 TRP 43 HE3 TRP 43 6.646 9.064 -7.347 207 HZ2 TRP 43 HZ2 TRP 43 11.537 9.501 -8.201 208 HZ3 TRP 43 HZ3 TRP 43 7.505 10.586 -9.076 209 HH2 TRP 43 HH2 TRP 43 9.903 10.800 -9.494 210 H ALA 44 HN ALA 44 4.989 9.147 -3.624 211 HA ALA 44 HA ALA 44 3.332 7.679 -1.841 212 HB1 ALA 44 HB1 ALA 44 3.289 10.111 -1.941 213 HB2 ALA 44 HB2 ALA 44 1.693 9.439 -2.263 214 HB3 ALA 44 HB3 ALA 44 2.676 10.041 -3.595 215 H VAL 45 HN VAL 45 1.892 6.156 -2.240 216 HA VAL 45 HA VAL 45 1.127 5.666 -5.041 217 HB VAL 45 HB VAL 45 2.593 3.917 -4.151 218 HG11 VAL 45 HG11 VAL 45 0.439 3.417 -2.106 219 HG12 VAL 45 HG12 VAL 45 2.005 4.162 -1.777 220 HG13 VAL 45 HG13 VAL 45 1.920 2.485 -2.327 221 HG21 VAL 45 HG21 VAL 45 1.200 1.989 -4.680 222 HG22 VAL 45 HG22 VAL 45 0.890 3.323 -5.792 223 HG23 VAL 45 HG23 VAL 45 -0.251 2.974 -4.493 224 H ARG 46 HN ARG 46 -1.001 5.103 -5.479 225 HA ARG 46 HA ARG 46 -2.902 6.179 -3.597 226 HB2 ARG 46 HB2 ARG 46 -4.379 6.352 -5.349 227 HB3 ARG 46 HB1 ARG 46 -2.857 6.405 -6.221 228 HG2 ARG 46 HG2 ARG 46 -4.515 3.910 -5.863 229 HG3 ARG 46 HG1 ARG 46 -4.594 4.966 -7.272 230 HD2 ARG 46 HD2 ARG 46 -2.339 4.465 -7.867 231 HD3 ARG 46 HD1 ARG 46 -2.057 3.635 -6.336 232 HE ARG 46 HE ARG 46 -3.941 2.092 -7.270 233 HH11 ARG 46 HH11 ARG 46 -1.434 3.624 -9.161 234 HH12 ARG 46 HH12 ARG 46 -1.251 2.277 -10.248 235 HH21 ARG 46 HH21 ARG 46 -3.705 0.305 -8.707 236 HH22 ARG 46 HH22 ARG 46 -2.546 0.412 -9.998 237 H PHE 47 HN PHE 47 -4.509 5.111 -2.546 238 HA PHE 47 HA PHE 47 -4.878 2.250 -3.096 239 HB2 PHE 47 HB2 PHE 47 -4.703 3.542 -0.369 240 HB3 PHE 47 HB1 PHE 47 -5.286 1.907 -0.653 241 HD1 PHE 47 HD2 PHE 47 -3.663 0.332 -1.924 242 HD2 PHE 47 HD1 PHE 47 -2.472 3.887 0.084 243 HE1 PHE 47 HE2 PHE 47 -1.367 -0.532 -1.765 244 HE2 PHE 47 HE1 PHE 47 -0.174 3.030 0.242 245 HZ PHE 47 HZ PHE 47 0.379 0.819 -0.682 246 H TYR 48 HN TYR 48 -7.049 1.541 -2.830 247 HA TYR 48 HA TYR 48 -9.040 3.587 -2.283 248 HB2 TYR 48 HB2 TYR 48 -10.125 3.337 -4.476 249 HB3 TYR 48 HB1 TYR 48 -8.492 3.970 -4.644 250 HD1 TYR 48 HD1 TYR 48 -6.650 2.364 -5.340 251 HD2 TYR 48 HD2 TYR 48 -10.783 1.380 -5.593 252 HE1 TYR 48 HE1 TYR 48 -6.120 0.572 -6.938 253 HE2 TYR 48 HE2 TYR 48 -10.266 -0.413 -7.190 254 HH TYR 48 HH TYR 48 -7.181 -1.596 -7.693 255 H GLU 49 HN GLU 49 -11.218 2.776 -2.340 256 HA GLU 49 HA GLU 49 -11.398 -0.104 -1.770 257 HB2 GLU 49 HB2 GLU 49 -13.515 0.483 -0.602 258 HB3 GLU 49 HB1 GLU 49 -12.111 1.278 0.100 259 HG2 GLU 49 HG2 GLU 49 -12.669 3.345 -0.991 260 HG3 GLU 49 HG1 GLU 49 -13.983 2.567 -1.868 261 H GLU 50 HN GLU 50 -12.652 -1.354 -3.061 262 HA GLU 50 HA GLU 50 -14.220 0.024 -5.120 263 HB2 GLU 50 HB2 GLU 50 -14.035 -2.080 -6.433 264 HB3 GLU 50 HB1 GLU 50 -12.492 -1.302 -6.128 265 HG2 GLU 50 HG2 GLU 50 -12.083 -2.904 -4.296 266 HG3 GLU 50 HG1 GLU 50 -13.595 -3.714 -4.710 267 H LYS 51 HN LYS 51 -16.283 0.088 -4.715 268 HA LYS 51 HA LYS 51 -17.522 -2.124 -3.232 269 HB2 LYS 51 HB2 LYS 51 -18.474 0.724 -3.627 270 HB3 LYS 51 HB1 LYS 51 -19.306 -0.508 -2.687 271 HG2 LYS 51 HG2 LYS 51 -16.540 0.515 -2.067 272 HG3 LYS 51 HG1 LYS 51 -18.022 1.113 -1.318 273 HD2 LYS 51 HD2 LYS 51 -18.482 -1.065 -0.385 274 HD3 LYS 51 HD1 LYS 51 -17.100 -1.758 -1.232 275 HE2 LYS 51 HE2 LYS 51 -16.630 -1.331 1.149 276 HE3 LYS 51 HE1 LYS 51 -15.573 -0.413 0.078 277 HZ1 LYS 51 HZ1 LYS 51 -16.552 0.819 2.034 278 HZ2 LYS 51 HZ2 LYS 51 -18.039 0.758 1.231 279 HZ3 LYS 51 HZ3 LYS 51 -16.719 1.561 0.524 280 HA PRO 52 HA PRO 52 -19.254 -3.394 -7.122 281 HB2 PRO 52 HB2 PRO 52 -21.326 -4.586 -5.349 282 HB3 PRO 52 HB1 PRO 52 -20.362 -5.343 -6.623 283 HG2 PRO 52 HG2 PRO 52 -19.797 -5.794 -4.068 284 HG3 PRO 52 HG1 PRO 52 -18.497 -5.571 -5.254 285 HD2 PRO 52 HD2 PRO 52 -19.555 -3.651 -3.220 286 HD3 PRO 52 HD1 PRO 52 -17.879 -3.938 -3.734 287 H GLY 53 HN GLY 53 -20.467 -2.233 -8.437 288 HA2 GLY 53 HA2 GLY 53 -22.382 -1.173 -9.238 289 HA3 GLY 53 HA1 GLY 53 -23.103 -1.318 -7.643 290 H GLN 54 HN GLN 54 -20.242 -0.136 -6.913 291 HA GLN 54 HA GLN 54 -21.124 2.664 -7.139 292 HB2 GLN 54 HB2 GLN 54 -19.771 1.298 -4.801 293 HB3 GLN 54 HB1 GLN 54 -20.243 2.995 -4.868 294 HG2 GLN 54 HG2 GLN 54 -22.543 2.457 -4.894 295 HG3 GLN 54 HG1 GLN 54 -22.208 0.753 -5.199 296 HE21 GLN 54 HE21 GLN 54 -21.632 -0.566 -3.514 297 HE22 GLN 54 HE22 GLN 54 -21.777 -0.091 -1.855 298 HA PRO 55 HA PRO 55 -17.037 3.634 -8.620 299 HB2 PRO 55 HB2 PRO 55 -16.620 6.079 -7.567 300 HB3 PRO 55 HB1 PRO 55 -17.775 5.801 -8.871 301 HG2 PRO 55 HG2 PRO 55 -18.277 6.075 -5.932 302 HG3 PRO 55 HG1 PRO 55 -19.159 6.803 -7.290 303 HD2 PRO 55 HD2 PRO 55 -20.052 4.595 -6.008 304 HD3 PRO 55 HD1 PRO 55 -20.323 4.863 -7.741 305 H LYS 56 HN LYS 56 -14.858 3.852 -7.993 306 HA LYS 56 HA LYS 56 -14.355 2.805 -5.332 307 HB2 LYS 56 HB2 LYS 56 -12.035 2.478 -6.166 308 HB3 LYS 56 HB1 LYS 56 -13.256 1.657 -7.124 309 HG2 LYS 56 HG2 LYS 56 -13.061 3.957 -8.502 310 HG3 LYS 56 HG1 LYS 56 -11.422 3.835 -7.856 311 HD2 LYS 56 HD2 LYS 56 -11.265 1.541 -8.741 312 HD3 LYS 56 HD1 LYS 56 -12.885 1.715 -9.422 313 HE2 LYS 56 HE2 LYS 56 -11.351 2.112 -11.186 314 HE3 LYS 56 HE1 LYS 56 -12.017 3.676 -10.727 315 HZ1 LYS 56 HZ1 LYS 56 -9.624 3.767 -11.085 316 HZ2 LYS 56 HZ2 LYS 56 -9.378 2.619 -9.864 317 HZ3 LYS 56 HZ3 LYS 56 -10.011 4.144 -9.478 318 H ARG 57 HN ARG 57 -13.147 3.786 -3.778 319 HA ARG 57 HA ARG 57 -12.810 6.692 -4.143 320 HB2 ARG 57 HB2 ARG 57 -14.754 5.934 -2.734 321 HB3 ARG 57 HB1 ARG 57 -13.604 5.226 -1.617 322 HG2 ARG 57 HG2 ARG 57 -13.428 8.126 -2.291 323 HG3 ARG 57 HG1 ARG 57 -14.637 7.556 -1.143 324 HD2 ARG 57 HD2 ARG 57 -12.586 6.351 -0.045 325 HD3 ARG 57 HD1 ARG 57 -11.659 7.564 -0.929 326 HE ARG 57 HE ARG 57 -13.829 8.691 0.580 327 HH11 ARG 57 HH11 ARG 57 -10.454 7.739 0.696 328 HH12 ARG 57 HH12 ARG 57 -10.132 8.626 2.153 329 HH21 ARG 57 HH21 ARG 57 -13.387 9.860 2.475 330 HH22 ARG 57 HH22 ARG 57 -11.790 9.826 3.161 331 H LEU 58 HN LEU 58 -10.789 7.379 -3.904 332 HA LEU 58 HA LEU 58 -8.623 5.761 -3.135 333 HB2 LEU 58 HB2 LEU 58 -8.872 8.142 -4.379 334 HB3 LEU 58 HB1 LEU 58 -8.429 8.706 -2.781 335 HG LEU 58 HG LEU 58 -6.774 6.737 -4.360 336 HD11 LEU 58 HD11 LEU 58 -6.441 9.724 -4.107 337 HD12 LEU 58 HD12 LEU 58 -6.914 8.854 -5.566 338 HD13 LEU 58 HD13 LEU 58 -5.307 8.616 -4.881 339 HD21 LEU 58 HD21 LEU 58 -5.025 7.318 -2.788 340 HD22 LEU 58 HD22 LEU 58 -6.444 6.720 -1.925 341 HD23 LEU 58 HD23 LEU 58 -6.107 8.450 -1.971 342 H VAL 59 HN VAL 59 -8.398 4.923 -1.148 343 HA VAL 59 HA VAL 59 -9.780 6.113 1.080 344 HB VAL 59 HB VAL 59 -9.046 4.145 2.365 345 HG11 VAL 59 HG11 VAL 59 -10.238 3.465 -0.318 346 HG12 VAL 59 HG12 VAL 59 -11.113 4.107 1.068 347 HG13 VAL 59 HG13 VAL 59 -10.374 2.509 1.159 348 HG21 VAL 59 HG21 VAL 59 -7.901 2.298 1.247 349 HG22 VAL 59 HG22 VAL 59 -6.891 3.742 1.289 350 HG23 VAL 59 HG23 VAL 59 -7.714 3.285 -0.202 351 H ALA 60 HN ALA 60 -6.481 5.875 -0.026 352 HA ALA 60 HA ALA 60 -5.578 7.839 1.776 353 HB1 ALA 60 HB1 ALA 60 -4.094 6.507 3.186 354 HB2 ALA 60 HB2 ALA 60 -4.755 5.035 2.481 355 HB3 ALA 60 HB3 ALA 60 -5.787 6.086 3.444 356 H ILE 61 HN ILE 61 -3.602 8.610 1.221 357 HA ILE 61 HA ILE 61 -2.217 7.216 -0.959 358 HB ILE 61 HB ILE 61 -1.743 10.040 0.016 359 HG12 ILE 61 HG12 ILE 61 -2.840 10.490 -2.354 360 HG13 ILE 61 HG11 ILE 61 -3.638 8.955 -2.030 361 HG21 ILE 61 HG21 ILE 61 -0.921 8.732 -2.566 362 HG22 ILE 61 HG22 ILE 61 0.112 8.861 -1.146 363 HG23 ILE 61 HG23 ILE 61 -0.443 10.322 -1.969 364 HD11 ILE 61 HD11 ILE 61 -3.769 11.458 -0.367 365 HD12 ILE 61 HD12 ILE 61 -4.473 9.913 0.096 366 HD13 ILE 61 HD13 ILE 61 -5.061 10.752 -1.339 367 H CYS 62 HN CYS 62 -0.523 6.002 -0.340 368 HA CYS 62 HA CYS 62 0.725 6.700 2.236 369 HB2 CYS 62 HB2 CYS 62 -0.793 4.608 2.118 370 HB3 CYS 62 HB1 CYS 62 0.539 3.870 1.231 371 H LYS 63 HN LYS 63 2.917 6.350 2.481 372 HA LYS 63 HA LYS 63 4.482 5.230 0.355 373 HB2 LYS 63 HB2 LYS 63 5.903 7.268 0.085 374 HB3 LYS 63 HB1 LYS 63 4.296 7.390 -0.610 375 HG2 LYS 63 HG2 LYS 63 3.555 8.804 1.151 376 HG3 LYS 63 HG1 LYS 63 5.033 8.516 2.077 377 HD2 LYS 63 HD2 LYS 63 6.271 9.923 0.802 378 HD3 LYS 63 HD1 LYS 63 5.371 9.553 -0.668 379 HE2 LYS 63 HE2 LYS 63 4.959 11.840 -0.051 380 HE3 LYS 63 HE1 LYS 63 3.487 10.909 0.210 381 HZ1 LYS 63 HZ1 LYS 63 3.891 12.398 2.044 382 HZ2 LYS 63 HZ2 LYS 63 5.428 11.731 2.304 383 HZ3 LYS 63 HZ3 LYS 63 4.036 10.795 2.575 384 H ASN 64 HN ASN 64 6.819 5.345 0.892 385 HA ASN 64 HA ASN 64 7.089 4.477 3.634 386 HB2 ASN 64 HB2 ASN 64 8.099 3.135 1.877 387 HB3 ASN 64 HB1 ASN 64 9.024 4.518 1.310 388 HD21 ASN 64 HD21 ASN 64 10.995 3.773 1.584 389 HD22 ASN 64 HD22 ASN 64 11.699 3.328 3.104 390 H ALA 65 HN ALA 65 8.656 5.295 5.093 391 HA ALA 65 HA ALA 65 8.750 8.041 5.411 392 HB1 ALA 65 HB1 ALA 65 10.906 6.242 6.470 393 HB2 ALA 65 HB2 ALA 65 9.262 6.182 7.097 394 HB3 ALA 65 HB3 ALA 65 10.198 7.675 7.218 395 H SER 66 HN SER 66 11.247 5.907 4.088 396 HA SER 66 HA SER 66 12.770 8.259 3.222 397 HB2 SER 66 HB2 SER 66 13.678 5.378 3.427 398 HB3 SER 66 HB1 SER 66 14.697 6.788 3.129 399 HG SER 66 HG SER 66 14.276 7.514 5.195 400 HA PRO 67 HA PRO 67 11.751 7.090 -0.983 401 HB2 PRO 67 HB2 PRO 67 13.232 8.932 -2.254 402 HB3 PRO 67 HB1 PRO 67 11.762 9.365 -1.374 403 HG2 PRO 67 HG2 PRO 67 14.619 9.655 -0.551 404 HG3 PRO 67 HG1 PRO 67 13.262 10.767 -0.300 405 HD2 PRO 67 HD2 PRO 67 14.239 9.029 1.606 406 HD3 PRO 67 HD1 PRO 67 12.598 9.704 1.602 407 H VAL 68 HN VAL 68 14.413 6.265 0.637 408 HA VAL 68 HA VAL 68 15.832 5.279 -1.749 409 HB VAL 68 HB VAL 68 17.079 5.469 0.978 410 HG11 VAL 68 HG11 VAL 68 18.414 5.523 -1.710 411 HG12 VAL 68 HG12 VAL 68 17.981 4.017 -0.912 412 HG13 VAL 68 HG13 VAL 68 19.115 5.127 -0.137 413 HG21 VAL 68 HG21 VAL 68 18.134 7.568 0.274 414 HG22 VAL 68 HG22 VAL 68 16.381 7.724 0.370 415 HG23 VAL 68 HG23 VAL 68 17.166 7.556 -1.201 416 H HIS 69 HN HIS 69 16.113 4.214 1.629 417 HA HIS 69 HA HIS 69 15.527 1.487 0.760 418 HB2 HIS 69 HB2 HIS 69 16.362 2.493 3.484 419 HB3 HIS 69 HB1 HIS 69 16.205 0.812 3.023 420 HD1 HIS 69 HD1 HIS 69 18.100 -0.257 1.715 421 HD2 HIS 69 HD2 HIS 69 18.671 3.800 2.449 422 HE1 HIS 69 HE1 HIS 69 20.505 0.207 1.135 423 HE2 HIS 69 HE2 HIS 69 20.839 2.666 1.593 424 H CYS 70 HN CYS 70 14.053 0.165 2.066 425 HA CYS 70 HA CYS 70 11.613 1.717 2.527 426 HB2 CYS 70 HB2 CYS 70 11.586 -0.107 0.816 427 HB3 CYS 70 HB1 CYS 70 11.902 -1.266 2.102 428 HG CYS 70 HG CYS 70 9.455 -1.619 2.793 429 H ASN 71 HN ASN 71 10.767 1.926 4.495 430 HA ASN 71 HA ASN 71 11.774 0.155 6.624 431 HB2 ASN 71 HB2 ASN 71 10.805 3.009 6.951 432 HB3 ASN 71 HB1 ASN 71 11.482 1.981 8.209 433 HD21 ASN 71 HD21 ASN 71 12.134 4.066 5.565 434 HD22 ASN 71 HD22 ASN 71 13.857 4.089 5.725 435 H TYR 72 HN TYR 72 9.186 2.505 6.842 436 HA TYR 72 HA TYR 72 7.180 0.373 6.875 437 HB2 TYR 72 HB2 TYR 72 7.317 2.616 8.908 438 HB3 TYR 72 HB1 TYR 72 6.108 1.340 8.838 439 HD1 TYR 72 HD1 TYR 72 7.409 -1.103 8.627 440 HD2 TYR 72 HD2 TYR 72 8.781 2.355 10.682 441 HE1 TYR 72 HE1 TYR 72 8.792 -2.527 10.076 442 HE2 TYR 72 HE2 TYR 72 10.179 0.944 12.134 443 HH TYR 72 HH TYR 72 10.875 -2.269 11.444 444 H LEU 73 HN LEU 73 4.903 1.527 6.957 445 HA LEU 73 HA LEU 73 5.046 3.428 4.730 446 HB2 LEU 73 HB2 LEU 73 2.894 1.486 5.544 447 HB3 LEU 73 HB1 LEU 73 2.669 2.707 4.305 448 HG LEU 73 HG LEU 73 4.576 0.370 4.238 449 HD11 LEU 73 HD11 LEU 73 3.251 -0.226 2.237 450 HD12 LEU 73 HD12 LEU 73 2.165 1.127 2.584 451 HD13 LEU 73 HD13 LEU 73 2.297 -0.219 3.721 452 HD21 LEU 73 HD21 LEU 73 5.283 1.176 2.054 453 HD22 LEU 73 HD22 LEU 73 5.635 2.381 3.295 454 HD23 LEU 73 HD23 LEU 73 4.250 2.596 2.224 455 H LYS 74 HN LYS 74 4.604 5.444 5.109 456 HA LYS 74 HA LYS 74 2.748 6.168 7.269 457 HB2 LYS 74 HB2 LYS 74 4.953 7.631 5.862 458 HB3 LYS 74 HB1 LYS 74 3.631 8.550 6.563 459 HG2 LYS 74 HG2 LYS 74 5.421 8.492 8.130 460 HG3 LYS 74 HG1 LYS 74 4.115 7.484 8.747 461 HD2 LYS 74 HD2 LYS 74 5.295 5.484 7.962 462 HD3 LYS 74 HD1 LYS 74 6.605 6.498 7.352 463 HE2 LYS 74 HE2 LYS 74 7.132 5.507 9.544 464 HE3 LYS 74 HE1 LYS 74 7.095 7.270 9.596 465 HZ1 LYS 74 HZ1 LYS 74 4.886 7.174 10.549 466 HZ2 LYS 74 HZ2 LYS 74 5.962 6.274 11.499 467 HZ3 LYS 74 HZ3 LYS 74 4.882 5.477 10.457 468 H CYS 75 HN CYS 75 0.708 6.275 6.553 469 HA CYS 75 HA CYS 75 0.252 7.146 3.784 470 HB2 CYS 75 HB2 CYS 75 -1.872 6.001 5.547 471 HB3 CYS 75 HB1 CYS 75 -1.724 5.924 3.797 472 H THR 76 HN THR 76 -1.217 8.774 3.311 473 HA THR 76 HA THR 76 -2.046 10.413 5.610 474 HB THR 76 HB THR 76 -0.193 11.452 4.283 475 HG1 THR 76 HG1 THR 76 -1.320 13.488 4.036 476 HG21 THR 76 HG21 THR 76 -2.273 11.576 2.097 477 HG22 THR 76 HG22 THR 76 -0.795 10.613 2.066 478 HG23 THR 76 HG23 THR 76 -0.700 12.375 2.066 479 H ASN 77 HN ASN 77 -3.979 11.661 5.300 480 HA ASN 77 HA ASN 77 -6.207 11.802 4.880 481 HB2 ASN 77 HB2 ASN 77 -5.181 12.547 2.658 482 HB3 ASN 77 HB1 ASN 77 -5.588 10.951 2.050 483 HD21 ASN 77 HD21 ASN 77 -6.532 13.606 1.273 484 HD22 ASN 77 HD22 ASN 77 -8.254 13.556 1.412 485 H LEU 78 HN LEU 78 -5.762 9.641 6.183 486 HA LEU 78 HA LEU 78 -6.421 7.173 4.946 487 HB2 LEU 78 HB2 LEU 78 -6.594 8.028 7.839 488 HB3 LEU 78 HB1 LEU 78 -6.799 6.379 7.281 489 HG LEU 78 HG LEU 78 -4.272 7.986 6.915 490 HD11 LEU 78 HD11 LEU 78 -4.942 5.867 8.951 491 HD12 LEU 78 HD12 LEU 78 -4.688 7.583 9.277 492 HD13 LEU 78 HD13 LEU 78 -3.352 6.588 8.697 493 HD21 LEU 78 HD21 LEU 78 -3.275 5.903 6.276 494 HD22 LEU 78 HD22 LEU 78 -4.703 6.165 5.271 495 HD23 LEU 78 HD23 LEU 78 -4.767 5.031 6.619 496 H ALA 79 HN ALA 79 -8.359 5.965 5.041 497 HA ALA 79 HA ALA 79 -10.755 7.660 5.251 498 HB1 ALA 79 HB1 ALA 79 -11.865 5.978 3.863 499 HB2 ALA 79 HB2 ALA 79 -10.394 5.006 3.856 500 HB3 ALA 79 HB3 ALA 79 -10.407 6.590 3.084 501 H ALA 80 HN ALA 80 -11.226 7.575 7.395 502 HA ALA 80 HA ALA 80 -12.047 6.807 9.357 503 HB1 ALA 80 HB1 ALA 80 -13.504 4.869 9.339 504 HB2 ALA 80 HB2 ALA 80 -12.878 4.384 7.763 505 HB3 ALA 80 HB3 ALA 80 -13.809 5.873 7.923 506 H GLY 81 HN GLY 81 -11.322 3.560 8.213 507 HA2 GLY 81 HA2 GLY 81 -9.044 3.457 10.085 508 HA3 GLY 81 HA1 GLY 81 -10.252 2.181 10.043 509 H PHE 82 HN PHE 82 -9.841 3.333 6.948 510 HA PHE 82 HA PHE 82 -8.398 0.949 6.191 511 HB2 PHE 82 HB2 PHE 82 -9.362 3.232 4.451 512 HB3 PHE 82 HB1 PHE 82 -8.819 1.652 3.895 513 HD1 PHE 82 HD2 PHE 82 -10.137 -0.275 5.477 514 HD2 PHE 82 HD1 PHE 82 -11.607 3.486 4.154 515 HE1 PHE 82 HE2 PHE 82 -12.442 -1.116 5.663 516 HE2 PHE 82 HE1 PHE 82 -13.916 2.658 4.340 517 HZ PHE 82 HZ PHE 82 -14.336 0.351 5.096 518 H SER 83 HN SER 83 -6.297 0.794 5.987 519 HA SER 83 HA SER 83 -4.654 3.053 5.227 520 HB2 SER 83 HB2 SER 83 -4.847 3.357 7.656 521 HB3 SER 83 HB1 SER 83 -4.318 1.703 7.928 522 HG SER 83 HG SER 83 -2.422 2.628 8.027 523 H ALA 84 HN ALA 84 -2.236 2.192 5.512 524 HA ALA 84 HA ALA 84 -2.244 -0.354 4.032 525 HB1 ALA 84 HB1 ALA 84 -0.062 0.320 3.162 526 HB2 ALA 84 HB2 ALA 84 -0.106 1.777 4.153 527 HB3 ALA 84 HB3 ALA 84 -1.274 1.561 2.847 528 H GLY 85 HN GLY 85 -0.325 -1.776 4.403 529 HA2 GLY 85 HA2 GLY 85 0.089 -1.922 7.328 530 HA3 GLY 85 HA1 GLY 85 -0.204 -3.325 6.320 531 H THR 86 HN THR 86 1.538 -3.389 4.398 532 HA THR 86 HA THR 86 4.187 -2.679 5.187 533 HB THR 86 HB THR 86 3.723 -4.439 6.862 534 HG1 THR 86 HG1 THR 86 5.692 -5.275 6.634 535 HG21 THR 86 HG21 THR 86 2.114 -5.765 5.572 536 HG22 THR 86 HG22 THR 86 3.435 -6.765 6.180 537 HG23 THR 86 HG23 THR 86 3.407 -6.276 4.485 538 H SER 87 HN SER 87 5.651 -4.613 3.947 539 HA SER 87 HA SER 87 4.550 -5.004 1.275 540 HB2 SER 87 HB2 SER 87 6.782 -4.054 0.363 541 HB3 SER 87 HB1 SER 87 5.544 -2.910 0.884 542 HG SER 87 HG SER 87 7.224 -3.687 2.900 543 H THR 88 HN THR 88 5.542 -6.684 0.125 544 HA THR 88 HA THR 88 7.592 -8.249 1.535 545 HB THR 88 HB THR 88 6.262 -10.320 1.112 546 HG1 THR 88 HG1 THR 88 4.527 -10.066 -0.068 547 HG21 THR 88 HG21 THR 88 5.089 -8.265 2.983 548 HG22 THR 88 HG22 THR 88 6.348 -9.444 3.353 549 HG23 THR 88 HG23 THR 88 4.699 -9.983 3.027 550 H ASP 89 HN ASP 89 7.245 -10.531 -0.142 551 HA ASP 89 HA ASP 89 7.744 -11.440 -2.145 552 HB2 ASP 89 HB2 ASP 89 5.772 -10.362 -2.988 553 HB3 ASP 89 HB1 ASP 89 6.621 -8.832 -3.164 554 H VAL 90 HN VAL 90 8.536 -8.063 -2.936 555 HA VAL 90 HA VAL 90 10.931 -8.861 -4.217 556 HB VAL 90 HB VAL 90 11.333 -6.278 -4.194 557 HG11 VAL 90 HG11 VAL 90 9.854 -6.052 -6.125 558 HG12 VAL 90 HG12 VAL 90 9.000 -7.521 -5.651 559 HG13 VAL 90 HG13 VAL 90 10.690 -7.605 -6.150 560 HG21 VAL 90 HG21 VAL 90 8.536 -6.563 -3.147 561 HG22 VAL 90 HG22 VAL 90 8.994 -5.174 -4.128 562 HG23 VAL 90 HG23 VAL 90 9.822 -5.485 -2.599 563 H LEU 91 HN LEU 91 10.272 -7.194 -1.158 564 HA LEU 91 HA LEU 91 13.096 -7.264 -0.484 565 HB2 LEU 91 HB2 LEU 91 12.454 -6.048 1.533 566 HB3 LEU 91 HB1 LEU 91 11.858 -5.267 0.083 567 HG LEU 91 HG LEU 91 9.680 -6.701 0.704 568 HD11 LEU 91 HD11 LEU 91 10.973 -6.101 3.360 569 HD12 LEU 91 HD12 LEU 91 10.647 -7.703 2.696 570 HD13 LEU 91 HD13 LEU 91 9.309 -6.634 3.118 571 HD21 LEU 91 HD21 LEU 91 8.820 -4.659 1.769 572 HD22 LEU 91 HD22 LEU 91 9.727 -4.332 0.292 573 HD23 LEU 91 HD23 LEU 91 10.469 -4.038 1.865 574 H SER 92 HN SER 92 10.242 -9.106 0.108 575 HA SER 92 HA SER 92 11.335 -10.445 2.427 576 HB2 SER 92 HB2 SER 92 8.963 -10.145 2.435 577 HB3 SER 92 HB1 SER 92 8.806 -10.818 0.814 578 HG SER 92 HG SER 92 9.575 -12.221 3.172 579 H SER 93 HN SER 93 9.942 -11.913 -0.467 580 HA SER 93 HA SER 93 12.153 -13.098 -1.609 581 HB2 SER 93 HB2 SER 93 12.409 -14.315 0.555 582 HB3 SER 93 HB1 SER 93 10.793 -14.986 0.345 583 HG SER 93 HG SER 93 11.653 -16.469 -0.852 584 H GLY 94 HN GLY 94 8.989 -14.304 -0.500 585 HA2 GLY 94 HA2 GLY 94 7.803 -13.834 -3.083 586 HA3 GLY 94 HA1 GLY 94 8.050 -15.539 -2.720 587 H THR 95 HN THR 95 5.686 -13.467 -2.842 588 HA THR 95 HA THR 95 4.230 -14.719 -0.646 589 HB THR 95 HB THR 95 3.153 -12.461 -0.130 590 HG1 THR 95 HG1 THR 95 4.416 -11.554 -2.064 591 HG21 THR 95 HG21 THR 95 6.047 -12.836 0.622 592 HG22 THR 95 HG22 THR 95 4.674 -13.599 1.422 593 HG23 THR 95 HG23 THR 95 4.870 -11.847 1.484 594 H VAL 96 HN VAL 96 2.340 -15.461 -1.432 595 HA VAL 96 HA VAL 96 1.399 -14.582 -4.014 596 HB VAL 96 HB VAL 96 -0.512 -16.194 -3.572 597 HG11 VAL 96 HG11 VAL 96 0.852 -18.167 -3.969 598 HG12 VAL 96 HG12 VAL 96 2.286 -17.304 -3.415 599 HG13 VAL 96 HG13 VAL 96 1.463 -16.792 -4.890 600 HG21 VAL 96 HG21 VAL 96 1.176 -16.920 -1.179 601 HG22 VAL 96 HG22 VAL 96 -0.216 -17.825 -1.772 602 HG23 VAL 96 HG23 VAL 96 -0.431 -16.196 -1.131 603 H GLY 97 HN GLY 97 0.845 -12.444 -3.763 604 HA2 GLY 97 HA2 GLY 97 -1.304 -11.870 -1.819 605 HA3 GLY 97 HA1 GLY 97 -0.107 -10.697 -2.349 606 H SER 98 HN SER 98 -1.686 -9.244 -2.965 607 HA SER 98 HA SER 98 -2.546 -9.200 -5.583 608 HB2 SER 98 HB2 SER 98 -5.062 -9.428 -5.156 609 HB3 SER 98 HB1 SER 98 -4.145 -10.932 -5.185 610 HG SER 98 HG SER 98 -5.634 -9.894 -3.199 Start of MODEL 7 1 H1 SER 19 HT1 SER 19 19.374 -3.258 -1.695 2 H2 SER 19 HT2 SER 19 19.633 -2.552 -0.180 3 H3 SER 19 HT3 SER 19 20.956 -3.006 -1.138 4 HA SER 19 HA SER 19 20.693 -0.643 -1.249 5 HB2 SER 19 HB2 SER 19 19.690 -1.956 -3.787 6 HB3 SER 19 HB1 SER 19 20.555 -0.425 -3.665 7 HG SER 19 HG SER 19 21.653 -2.662 -4.129 8 H PHE 20 HN PHE 20 18.888 0.438 -3.362 9 HA PHE 20 HA PHE 20 16.603 1.081 -1.825 10 HB2 PHE 20 HB2 PHE 20 15.854 2.306 -3.666 11 HB3 PHE 20 HB1 PHE 20 17.593 2.298 -3.923 12 HD1 PHE 20 HD1 PHE 20 18.454 0.299 -5.390 13 HD2 PHE 20 HD2 PHE 20 14.479 1.782 -5.422 14 HE1 PHE 20 HE1 PHE 20 18.126 -0.658 -7.635 15 HE2 PHE 20 HE2 PHE 20 14.131 0.829 -7.663 16 HZ PHE 20 HZ PHE 20 15.960 -0.395 -8.771 17 H VAL 21 HN VAL 21 14.437 0.385 -2.135 18 HA VAL 21 HA VAL 21 14.223 -2.293 -3.286 19 HB VAL 21 HB VAL 21 14.693 -2.741 -1.012 20 HG11 VAL 21 HG11 VAL 21 12.503 -0.840 -0.222 21 HG12 VAL 21 HG12 VAL 21 14.222 -0.449 -0.234 22 HG13 VAL 21 HG13 VAL 21 13.610 -1.705 0.847 23 HG21 VAL 21 HG21 VAL 21 12.796 -4.014 -2.015 24 HG22 VAL 21 HG22 VAL 21 11.694 -2.887 -1.223 25 HG23 VAL 21 HG23 VAL 21 12.752 -3.913 -0.255 26 H GLN 22 HN GLN 22 12.384 -2.717 -4.304 27 HA GLN 22 HA GLN 22 10.198 -0.772 -4.079 28 HB2 GLN 22 HB2 GLN 22 9.525 -1.768 -6.358 29 HB3 GLN 22 HB1 GLN 22 10.914 -0.682 -6.306 30 HG2 GLN 22 HG2 GLN 22 11.619 -2.397 -7.686 31 HG3 GLN 22 HG1 GLN 22 12.320 -2.826 -6.129 32 HE21 GLN 22 HE21 GLN 22 8.958 -3.236 -7.034 33 HE22 GLN 22 HE22 GLN 22 8.970 -4.961 -7.018 34 H CYS 23 HN CYS 23 8.065 -1.550 -3.810 35 HA CYS 23 HA CYS 23 7.832 -4.358 -3.019 36 HB2 CYS 23 HB2 CYS 23 7.264 -2.066 -1.134 37 HB3 CYS 23 HB1 CYS 23 7.060 -3.776 -0.784 38 HG CYS 23 HG CYS 23 9.249 -3.241 0.637 39 H ASN 24 HN ASN 24 5.660 -5.078 -2.727 40 HA ASN 24 HA ASN 24 3.587 -3.364 -3.805 41 HB2 ASN 24 HB2 ASN 24 2.113 -5.370 -2.972 42 HB3 ASN 24 HB1 ASN 24 3.111 -5.565 -4.406 43 HD21 ASN 24 HD21 ASN 24 4.761 -6.990 -4.387 44 HD22 ASN 24 HD22 ASN 24 5.099 -8.060 -3.073 45 H HIS 25 HN HIS 25 2.777 -1.819 -2.571 46 HA HIS 25 HA HIS 25 3.056 -1.947 0.299 47 HB2 HIS 25 HB2 HIS 25 1.742 0.098 -1.499 48 HB3 HIS 25 HB1 HIS 25 1.855 0.257 0.251 49 HD1 HIS 25 HD1 HIS 25 3.339 1.779 -2.381 50 HD2 HIS 25 HD2 HIS 25 4.963 -0.438 0.734 51 HE1 HIS 25 HE1 HIS 25 5.728 2.539 -2.188 52 HE2 HIS 25 HE2 HIS 25 6.736 1.043 -0.430 53 H HIS 26 HN HIS 26 1.620 -2.715 1.679 54 HA HIS 26 HA HIS 26 -0.803 -3.866 0.555 55 HB2 HIS 26 HB2 HIS 26 0.644 -4.253 3.167 56 HB3 HIS 26 HB1 HIS 26 -0.970 -4.894 2.901 57 HD1 HIS 26 HD1 HIS 26 -0.276 -7.340 3.018 58 HD2 HIS 26 HD2 HIS 26 1.803 -5.167 0.140 59 HE1 HIS 26 HE1 HIS 26 0.926 -9.041 1.617 60 HE2 HIS 26 HE2 HIS 26 2.314 -7.699 0.002 61 H LEU 27 HN LEU 27 -2.800 -3.171 0.951 62 HA LEU 27 HA LEU 27 -3.214 -1.206 3.091 63 HB2 LEU 27 HB2 LEU 27 -4.208 -1.001 0.688 64 HB3 LEU 27 HB1 LEU 27 -5.330 -2.253 1.206 65 HG LEU 27 HG LEU 27 -6.325 -0.022 1.384 66 HD11 LEU 27 HD11 LEU 27 -7.126 -0.135 3.661 67 HD12 LEU 27 HD12 LEU 27 -5.777 -1.186 4.107 68 HD13 LEU 27 HD13 LEU 27 -7.014 -1.761 2.980 69 HD21 LEU 27 HD21 LEU 27 -4.311 1.277 1.747 70 HD22 LEU 27 HD22 LEU 27 -4.096 0.538 3.334 71 HD23 LEU 27 HD23 LEU 27 -5.481 1.585 3.030 72 H LEU 28 HN LEU 28 -3.746 -1.987 4.993 73 HA LEU 28 HA LEU 28 -4.521 -4.796 5.181 74 HB2 LEU 28 HB2 LEU 28 -2.701 -3.165 6.597 75 HB3 LEU 28 HB1 LEU 28 -3.983 -3.585 7.718 76 HG LEU 28 HG LEU 28 -2.148 -5.176 7.859 77 HD11 LEU 28 HD11 LEU 28 -3.399 -7.240 7.558 78 HD12 LEU 28 HD12 LEU 28 -4.586 -6.386 6.572 79 HD13 LEU 28 HD13 LEU 28 -4.409 -5.990 8.282 80 HD21 LEU 28 HD21 LEU 28 -1.212 -5.003 5.674 81 HD22 LEU 28 HD22 LEU 28 -2.703 -5.583 4.934 82 HD23 LEU 28 HD23 LEU 28 -1.719 -6.677 5.911 83 H TYR 29 HN TYR 29 -6.480 -5.328 5.660 84 HA TYR 29 HA TYR 29 -8.254 -3.364 6.944 85 HB2 TYR 29 HB2 TYR 29 -8.858 -4.184 4.618 86 HB3 TYR 29 HB1 TYR 29 -9.052 -5.788 5.311 87 HD1 TYR 29 HD1 TYR 29 -10.299 -2.294 5.649 88 HD2 TYR 29 HD2 TYR 29 -11.131 -6.437 6.164 89 HE1 TYR 29 HE1 TYR 29 -12.633 -1.751 6.196 90 HE2 TYR 29 HE2 TYR 29 -13.470 -5.903 6.718 91 HH TYR 29 HH TYR 29 -14.864 -2.913 6.095 92 H ASN 30 HN ASN 30 -9.577 -4.143 8.653 93 HA ASN 30 HA ASN 30 -8.383 -5.831 10.484 94 HB2 ASN 30 HB2 ASN 30 -11.296 -5.093 10.173 95 HB3 ASN 30 HB1 ASN 30 -10.655 -5.960 11.564 96 HD21 ASN 30 HD21 ASN 30 -9.452 -4.883 13.076 97 HD22 ASN 30 HD22 ASN 30 -9.276 -3.156 13.091 98 H GLY 31 HN GLY 31 -7.770 -7.818 9.940 99 HA2 GLY 31 HA2 GLY 31 -8.874 -10.106 10.086 100 HA3 GLY 31 HA1 GLY 31 -9.738 -9.583 8.648 101 H ARG 32 HN ARG 32 -7.934 -8.499 7.019 102 HA ARG 32 HA ARG 32 -5.628 -10.183 6.739 103 HB2 ARG 32 HB2 ARG 32 -7.636 -11.659 6.176 104 HB3 ARG 32 HB1 ARG 32 -7.875 -10.634 4.771 105 HG2 ARG 32 HG2 ARG 32 -6.700 -12.608 4.111 106 HG3 ARG 32 HG1 ARG 32 -5.601 -11.232 4.002 107 HD2 ARG 32 HD2 ARG 32 -4.601 -11.835 6.128 108 HD3 ARG 32 HD1 ARG 32 -5.733 -13.175 6.300 109 HE ARG 32 HE ARG 32 -4.499 -13.684 3.933 110 HH11 ARG 32 HH11 ARG 32 -3.338 -13.023 7.177 111 HH12 ARG 32 HH12 ARG 32 -1.921 -14.024 7.005 112 HH21 ARG 32 HH21 ARG 32 -2.648 -14.966 3.699 113 HH22 ARG 32 HH22 ARG 32 -1.528 -15.130 5.023 114 H HIS 33 HN HIS 33 -4.504 -9.801 4.681 115 HA HIS 33 HA HIS 33 -4.263 -7.257 3.702 116 HB2 HIS 33 HB2 HIS 33 -2.582 -8.731 3.090 117 HB3 HIS 33 HB1 HIS 33 -3.706 -9.997 2.637 118 HD1 HIS 33 HD1 HIS 33 -3.680 -10.460 0.251 119 HD2 HIS 33 HD2 HIS 33 -2.862 -6.452 1.014 120 HE1 HIS 33 HE1 HIS 33 -3.271 -9.415 -1.997 121 HE2 HIS 33 HE2 HIS 33 -3.048 -6.957 -1.528 122 H TRP 34 HN TRP 34 -5.640 -5.951 2.677 123 HA TRP 34 HA TRP 34 -7.982 -7.110 1.377 124 HB2 TRP 34 HB2 TRP 34 -7.979 -5.111 3.045 125 HB3 TRP 34 HB1 TRP 34 -7.463 -4.163 1.654 126 HD1 TRP 34 HD1 TRP 34 -10.482 -5.953 3.108 127 HE1 TRP 34 HE1 TRP 34 -12.575 -5.333 1.740 128 HE3 TRP 34 HE3 TRP 34 -8.219 -3.457 -0.740 129 HZ2 TRP 34 HZ2 TRP 34 -13.177 -3.973 -0.656 130 HZ3 TRP 34 HZ3 TRP 34 -9.627 -2.533 -2.534 131 HH2 TRP 34 HH2 TRP 34 -12.053 -2.787 -2.489 132 H GLY 35 HN GLY 35 -5.532 -4.631 0.608 133 HA2 GLY 35 HA2 GLY 35 -5.478 -5.613 -2.151 134 HA3 GLY 35 HA1 GLY 35 -5.901 -3.923 -1.898 135 H THR 36 HN THR 36 -3.654 -4.669 -3.395 136 HA THR 36 HA THR 36 -1.643 -3.255 -1.890 137 HB THR 36 HB THR 36 -1.306 -5.699 -1.317 138 HG1 THR 36 HG1 THR 36 0.385 -3.830 -1.677 139 HG21 THR 36 HG21 THR 36 -0.422 -5.838 -4.198 140 HG22 THR 36 HG22 THR 36 -1.791 -6.693 -3.488 141 HG23 THR 36 HG23 THR 36 -0.146 -7.087 -2.984 142 H ILE 37 HN ILE 37 -0.307 -2.089 -3.177 143 HA ILE 37 HA ILE 37 -0.409 -2.594 -6.069 144 HB ILE 37 HB ILE 37 -0.377 0.094 -4.673 145 HG12 ILE 37 HG12 ILE 37 -2.351 0.533 -6.199 146 HG13 ILE 37 HG11 ILE 37 -2.328 -1.180 -6.608 147 HG21 ILE 37 HG21 ILE 37 -0.205 1.102 -6.912 148 HG22 ILE 37 HG22 ILE 37 0.035 -0.505 -7.597 149 HG23 ILE 37 HG23 ILE 37 1.225 0.163 -6.479 150 HD11 ILE 37 HD11 ILE 37 -4.014 -0.538 -4.906 151 HD12 ILE 37 HD12 ILE 37 -2.692 -0.129 -3.812 152 HD13 ILE 37 HD13 ILE 37 -2.891 -1.787 -4.375 153 H ARG 38 HN ARG 38 1.564 -2.950 -6.961 154 HA ARG 38 HA ARG 38 3.875 -2.727 -5.268 155 HB2 ARG 38 HB2 ARG 38 3.298 -4.000 -7.852 156 HB3 ARG 38 HB1 ARG 38 4.938 -3.380 -7.681 157 HG2 ARG 38 HG2 ARG 38 4.852 -4.595 -5.380 158 HG3 ARG 38 HG1 ARG 38 3.551 -5.517 -6.134 159 HD2 ARG 38 HD2 ARG 38 6.279 -5.186 -7.360 160 HD3 ARG 38 HD1 ARG 38 5.853 -6.518 -6.294 161 HE ARG 38 HE ARG 38 4.023 -6.947 -8.025 162 HH11 ARG 38 HH11 ARG 38 7.122 -5.536 -8.837 163 HH12 ARG 38 HH12 ARG 38 7.232 -6.336 -10.375 164 HH21 ARG 38 HH21 ARG 38 4.142 -7.980 -10.049 165 HH22 ARG 38 HH22 ARG 38 5.523 -7.714 -11.078 166 H LYS 39 HN LYS 39 4.784 -0.903 -4.914 167 HA LYS 39 HA LYS 39 5.798 0.667 -7.141 168 HB2 LYS 39 HB2 LYS 39 4.075 1.835 -4.948 169 HB3 LYS 39 HB1 LYS 39 5.182 2.808 -5.903 170 HG2 LYS 39 HG2 LYS 39 3.943 1.951 -7.942 171 HG3 LYS 39 HG1 LYS 39 2.724 1.353 -6.816 172 HD2 LYS 39 HD2 LYS 39 2.426 3.623 -5.944 173 HD3 LYS 39 HD1 LYS 39 3.643 4.217 -7.075 174 HE2 LYS 39 HE2 LYS 39 0.985 2.970 -7.763 175 HE3 LYS 39 HE1 LYS 39 1.431 4.666 -7.939 176 HZ1 LYS 39 HZ1 LYS 39 1.553 3.514 -10.052 177 HZ2 LYS 39 HZ2 LYS 39 2.639 2.382 -9.413 178 HZ3 LYS 39 HZ3 LYS 39 3.107 4.007 -9.576 179 H LYS 40 HN LYS 40 7.791 1.445 -6.726 180 HA LYS 40 HA LYS 40 9.263 0.425 -4.570 181 HB2 LYS 40 HB2 LYS 40 11.062 1.944 -5.365 182 HB3 LYS 40 HB1 LYS 40 10.359 0.952 -6.633 183 HG2 LYS 40 HG2 LYS 40 9.048 2.843 -7.407 184 HG3 LYS 40 HG1 LYS 40 9.702 3.841 -6.105 185 HD2 LYS 40 HD2 LYS 40 11.204 2.621 -8.416 186 HD3 LYS 40 HD1 LYS 40 10.937 4.338 -8.090 187 HE2 LYS 40 HE2 LYS 40 12.234 4.067 -5.977 188 HE3 LYS 40 HE1 LYS 40 12.592 2.406 -6.466 189 HZ1 LYS 40 HZ1 LYS 40 13.312 4.818 -8.050 190 HZ2 LYS 40 HZ2 LYS 40 13.772 3.218 -8.373 191 HZ3 LYS 40 HZ3 LYS 40 14.373 4.017 -7.000 192 H ALA 41 HN ALA 41 10.429 1.603 -2.926 193 HA ALA 41 HA ALA 41 8.716 3.018 -1.240 194 HB1 ALA 41 HB1 ALA 41 11.723 2.843 -1.195 195 HB2 ALA 41 HB2 ALA 41 10.588 1.748 -0.404 196 HB3 ALA 41 HB3 ALA 41 10.716 3.420 0.134 197 H GLY 42 HN GLY 42 8.479 5.128 -0.702 198 HA2 GLY 42 HA2 GLY 42 9.119 7.421 -0.693 199 HA3 GLY 42 HA1 GLY 42 10.042 7.135 -2.159 200 H TRP 43 HN TRP 43 8.041 5.755 -3.595 201 HA TRP 43 HA TRP 43 6.678 8.036 -4.653 202 HB2 TRP 43 HB2 TRP 43 6.699 5.119 -5.430 203 HB3 TRP 43 HB1 TRP 43 5.725 6.321 -6.271 204 HD1 TRP 43 HD1 TRP 43 9.441 5.615 -5.469 205 HE1 TRP 43 HE1 TRP 43 10.871 6.563 -7.391 206 HE3 TRP 43 HE3 TRP 43 5.735 7.842 -8.196 207 HZ2 TRP 43 HZ2 TRP 43 10.466 8.069 -9.747 208 HZ3 TRP 43 HZ3 TRP 43 6.342 9.018 -10.269 209 HH2 TRP 43 HH2 TRP 43 8.661 9.129 -11.026 210 H ALA 44 HN ALA 44 4.545 8.488 -4.707 211 HA ALA 44 HA ALA 44 3.015 7.611 -2.466 212 HB1 ALA 44 HB1 ALA 44 2.902 9.917 -3.248 213 HB2 ALA 44 HB2 ALA 44 1.312 9.160 -3.317 214 HB3 ALA 44 HB3 ALA 44 2.248 9.374 -4.794 215 H VAL 45 HN VAL 45 1.465 6.105 -2.387 216 HA VAL 45 HA VAL 45 0.573 4.884 -4.911 217 HB VAL 45 HB VAL 45 2.093 3.366 -3.733 218 HG11 VAL 45 HG11 VAL 45 0.124 3.421 -1.454 219 HG12 VAL 45 HG12 VAL 45 1.688 4.233 -1.447 220 HG13 VAL 45 HG13 VAL 45 1.608 2.473 -1.551 221 HG21 VAL 45 HG21 VAL 45 0.678 1.414 -3.664 222 HG22 VAL 45 HG22 VAL 45 0.189 2.457 -4.999 223 HG23 VAL 45 HG23 VAL 45 -0.759 2.425 -3.512 224 H ARG 46 HN ARG 46 -1.589 4.438 -5.100 225 HA ARG 46 HA ARG 46 -3.267 5.643 -3.029 226 HB2 ARG 46 HB2 ARG 46 -4.855 6.166 -4.651 227 HB3 ARG 46 HB1 ARG 46 -3.336 6.410 -5.496 228 HG2 ARG 46 HG2 ARG 46 -4.999 3.908 -5.717 229 HG3 ARG 46 HG1 ARG 46 -5.112 5.276 -6.823 230 HD2 ARG 46 HD2 ARG 46 -2.692 3.535 -6.342 231 HD3 ARG 46 HD1 ARG 46 -3.710 3.563 -7.781 232 HE ARG 46 HE ARG 46 -2.536 6.121 -7.150 233 HH11 ARG 46 HH11 ARG 46 -2.064 3.067 -8.819 234 HH12 ARG 46 HH12 ARG 46 -0.944 3.737 -9.973 235 HH21 ARG 46 HH21 ARG 46 -1.059 6.982 -8.631 236 HH22 ARG 46 HH22 ARG 46 -0.356 5.966 -9.859 237 H PHE 47 HN PHE 47 -4.807 4.536 -1.987 238 HA PHE 47 HA PHE 47 -5.299 1.753 -2.823 239 HB2 PHE 47 HB2 PHE 47 -5.367 2.902 -0.020 240 HB3 PHE 47 HB1 PHE 47 -5.750 1.239 -0.456 241 HD1 PHE 47 HD1 PHE 47 -3.900 -0.126 -1.591 242 HD2 PHE 47 HD2 PHE 47 -3.197 3.499 0.525 243 HE1 PHE 47 HE1 PHE 47 -1.537 -0.752 -1.307 244 HE2 PHE 47 HE2 PHE 47 -0.835 2.883 0.803 245 HZ PHE 47 HZ PHE 47 -0.001 0.755 -0.111 246 H TYR 48 HN TYR 48 -7.431 1.096 -2.929 247 HA TYR 48 HA TYR 48 -9.510 3.005 -2.234 248 HB2 TYR 48 HB2 TYR 48 -10.441 2.882 -4.585 249 HB3 TYR 48 HB1 TYR 48 -8.960 3.815 -4.410 250 HD1 TYR 48 HD2 TYR 48 -10.382 0.653 -5.654 251 HD2 TYR 48 HD1 TYR 48 -6.948 3.158 -5.521 252 HE1 TYR 48 HE2 TYR 48 -9.343 -0.688 -7.436 253 HE2 TYR 48 HE1 TYR 48 -5.901 1.831 -7.308 254 HH TYR 48 HH TYR 48 -6.046 -0.398 -8.284 255 H GLU 49 HN GLU 49 -11.624 2.151 -2.332 256 HA GLU 49 HA GLU 49 -11.664 -0.768 -2.047 257 HB2 GLU 49 HB2 GLU 49 -13.713 -0.425 -0.724 258 HB3 GLU 49 HB1 GLU 49 -12.346 0.452 -0.053 259 HG2 GLU 49 HG2 GLU 49 -13.186 2.514 -1.107 260 HG3 GLU 49 HG1 GLU 49 -14.579 1.614 -1.704 261 H GLU 50 HN GLU 50 -13.135 -2.020 -3.133 262 HA GLU 50 HA GLU 50 -14.377 -0.760 -5.449 263 HB2 GLU 50 HB2 GLU 50 -14.748 -3.147 -6.183 264 HB3 GLU 50 HB1 GLU 50 -13.068 -2.651 -6.036 265 HG2 GLU 50 HG2 GLU 50 -12.832 -3.837 -3.972 266 HG3 GLU 50 HG1 GLU 50 -14.560 -4.181 -3.918 267 H LYS 51 HN LYS 51 -16.303 0.082 -4.951 268 HA LYS 51 HA LYS 51 -18.246 -1.701 -3.645 269 HB2 LYS 51 HB2 LYS 51 -18.078 1.317 -3.525 270 HB3 LYS 51 HB1 LYS 51 -19.416 0.370 -2.885 271 HG2 LYS 51 HG2 LYS 51 -16.547 0.277 -1.970 272 HG3 LYS 51 HG1 LYS 51 -17.918 0.965 -1.094 273 HD2 LYS 51 HD2 LYS 51 -18.927 -1.205 -0.862 274 HD3 LYS 51 HD1 LYS 51 -17.705 -1.933 -1.904 275 HE2 LYS 51 HE2 LYS 51 -15.981 -1.351 -0.233 276 HE3 LYS 51 HE1 LYS 51 -17.248 -0.712 0.816 277 HZ1 LYS 51 HZ1 LYS 51 -16.624 -2.985 1.414 278 HZ2 LYS 51 HZ2 LYS 51 -17.062 -3.524 -0.132 279 HZ3 LYS 51 HZ3 LYS 51 -18.244 -2.903 0.913 280 HA PRO 52 HA PRO 52 -20.328 -1.759 -7.486 281 HB2 PRO 52 HB2 PRO 52 -22.810 -2.202 -5.960 282 HB3 PRO 52 HB1 PRO 52 -22.003 -3.254 -7.126 283 HG2 PRO 52 HG2 PRO 52 -22.001 -3.804 -4.502 284 HG3 PRO 52 HG1 PRO 52 -20.605 -4.168 -5.532 285 HD2 PRO 52 HD2 PRO 52 -21.010 -1.900 -3.625 286 HD3 PRO 52 HD1 PRO 52 -19.555 -2.871 -3.928 287 H GLY 53 HN GLY 53 -20.686 0.055 -8.573 288 HA2 GLY 53 HA2 GLY 53 -22.277 1.624 -9.398 289 HA3 GLY 53 HA1 GLY 53 -23.016 1.670 -7.803 290 H GLN 54 HN GLN 54 -20.035 1.784 -6.888 291 HA GLN 54 HA GLN 54 -19.902 4.715 -7.040 292 HB2 GLN 54 HB2 GLN 54 -18.704 2.810 -5.021 293 HB3 GLN 54 HB1 GLN 54 -18.540 4.559 -4.985 294 HG2 GLN 54 HG2 GLN 54 -20.988 4.748 -4.744 295 HG3 GLN 54 HG1 GLN 54 -21.084 2.987 -4.677 296 HE21 GLN 54 HE21 GLN 54 -21.963 3.045 -2.599 297 HE22 GLN 54 HE22 GLN 54 -20.997 3.430 -1.209 298 HA PRO 55 HA PRO 55 -15.866 4.398 -9.024 299 HB2 PRO 55 HB2 PRO 55 -14.811 6.707 -8.064 300 HB3 PRO 55 HB1 PRO 55 -15.932 6.662 -9.426 301 HG2 PRO 55 HG2 PRO 55 -16.478 7.293 -6.551 302 HG3 PRO 55 HG1 PRO 55 -17.094 8.092 -8.009 303 HD2 PRO 55 HD2 PRO 55 -18.571 6.314 -6.615 304 HD3 PRO 55 HD1 PRO 55 -18.691 6.460 -8.382 305 H LYS 56 HN LYS 56 -13.694 4.021 -8.284 306 HA LYS 56 HA LYS 56 -13.729 2.581 -5.832 307 HB2 LYS 56 HB2 LYS 56 -11.394 3.277 -7.603 308 HB3 LYS 56 HB1 LYS 56 -11.395 2.053 -6.351 309 HG2 LYS 56 HG2 LYS 56 -13.030 2.059 -8.877 310 HG3 LYS 56 HG1 LYS 56 -11.659 1.009 -8.501 311 HD2 LYS 56 HD2 LYS 56 -12.847 -0.140 -6.845 312 HD3 LYS 56 HD1 LYS 56 -14.068 1.126 -6.749 313 HE2 LYS 56 HE2 LYS 56 -13.652 -0.571 -9.196 314 HE3 LYS 56 HE1 LYS 56 -14.763 -1.017 -7.905 315 HZ1 LYS 56 HZ1 LYS 56 -15.853 0.128 -9.767 316 HZ2 LYS 56 HZ2 LYS 56 -14.922 1.509 -9.470 317 HZ3 LYS 56 HZ3 LYS 56 -16.031 0.972 -8.310 318 H ARG 57 HN ARG 57 -13.580 3.438 -3.898 319 HA ARG 57 HA ARG 57 -13.013 6.253 -3.698 320 HB2 ARG 57 HB2 ARG 57 -14.979 5.256 -2.601 321 HB3 ARG 57 HB1 ARG 57 -13.923 4.256 -1.615 322 HG2 ARG 57 HG2 ARG 57 -14.725 6.140 -0.337 323 HG3 ARG 57 HG1 ARG 57 -12.983 6.280 -0.595 324 HD2 ARG 57 HD2 ARG 57 -14.096 8.422 -0.922 325 HD3 ARG 57 HD1 ARG 57 -13.364 7.844 -2.418 326 HE ARG 57 HE ARG 57 -16.178 7.237 -2.024 327 HH11 ARG 57 HH11 ARG 57 -13.772 9.315 -3.500 328 HH12 ARG 57 HH12 ARG 57 -14.883 9.981 -4.660 329 HH21 ARG 57 HH21 ARG 57 -17.627 8.081 -3.561 330 HH22 ARG 57 HH22 ARG 57 -17.066 9.251 -4.727 331 H LEU 58 HN LEU 58 -11.157 7.102 -3.073 332 HA LEU 58 HA LEU 58 -8.889 5.641 -2.369 333 HB2 LEU 58 HB2 LEU 58 -9.672 8.506 -2.267 334 HB3 LEU 58 HB1 LEU 58 -8.278 8.019 -1.323 335 HG LEU 58 HG LEU 58 -8.527 7.429 -4.269 336 HD11 LEU 58 HD11 LEU 58 -7.158 9.757 -2.920 337 HD12 LEU 58 HD12 LEU 58 -8.593 9.850 -3.941 338 HD13 LEU 58 HD13 LEU 58 -7.050 9.347 -4.631 339 HD21 LEU 58 HD21 LEU 58 -6.257 6.858 -4.164 340 HD22 LEU 58 HD22 LEU 58 -6.943 6.141 -2.702 341 HD23 LEU 58 HD23 LEU 58 -6.040 7.650 -2.605 342 H VAL 59 HN VAL 59 -8.747 4.379 -0.683 343 HA VAL 59 HA VAL 59 -10.006 5.142 1.837 344 HB VAL 59 HB VAL 59 -9.495 2.891 2.612 345 HG11 VAL 59 HG11 VAL 59 -10.608 2.713 -0.178 346 HG12 VAL 59 HG12 VAL 59 -11.506 3.356 1.191 347 HG13 VAL 59 HG13 VAL 59 -10.975 1.675 1.202 348 HG21 VAL 59 HG21 VAL 59 -8.342 1.267 1.299 349 HG22 VAL 59 HG22 VAL 59 -7.326 2.709 1.354 350 HG23 VAL 59 HG23 VAL 59 -8.273 2.351 -0.089 351 H ALA 60 HN ALA 60 -7.010 5.194 0.260 352 HA ALA 60 HA ALA 60 -5.801 6.660 2.333 353 HB1 ALA 60 HB1 ALA 60 -4.727 3.875 1.941 354 HB2 ALA 60 HB2 ALA 60 -5.555 4.491 3.365 355 HB3 ALA 60 HB3 ALA 60 -3.986 5.143 2.919 356 H ILE 61 HN ILE 61 -4.369 7.949 1.460 357 HA ILE 61 HA ILE 61 -2.907 7.072 -0.945 358 HB ILE 61 HB ILE 61 -3.100 9.878 0.187 359 HG12 ILE 61 HG12 ILE 61 -4.265 10.217 -2.133 360 HG13 ILE 61 HG11 ILE 61 -4.582 8.489 -2.022 361 HG21 ILE 61 HG21 ILE 61 -1.959 9.000 -2.459 362 HG22 ILE 61 HG22 ILE 61 -0.983 9.238 -1.011 363 HG23 ILE 61 HG23 ILE 61 -1.861 10.598 -1.716 364 HD11 ILE 61 HD11 ILE 61 -5.502 10.643 -0.144 365 HD12 ILE 61 HD12 ILE 61 -5.679 8.921 0.170 366 HD13 ILE 61 HD13 ILE 61 -6.490 9.650 -1.216 367 H CYS 62 HN CYS 62 -0.928 6.277 -0.494 368 HA CYS 62 HA CYS 62 0.335 7.168 2.005 369 HB2 CYS 62 HB2 CYS 62 -1.060 5.027 2.227 370 HB3 CYS 62 HB1 CYS 62 0.173 4.259 1.231 371 H LYS 63 HN LYS 63 2.615 6.667 2.144 372 HA LYS 63 HA LYS 63 3.937 5.468 -0.104 373 HB2 LYS 63 HB2 LYS 63 5.313 7.352 -0.717 374 HB3 LYS 63 HB1 LYS 63 3.624 7.812 -0.881 375 HG2 LYS 63 HG2 LYS 63 3.718 9.037 1.202 376 HG3 LYS 63 HG1 LYS 63 5.382 8.508 1.459 377 HD2 LYS 63 HD2 LYS 63 5.578 10.671 0.572 378 HD3 LYS 63 HD1 LYS 63 5.889 9.590 -0.789 379 HE2 LYS 63 HE2 LYS 63 4.448 11.366 -1.514 380 HE3 LYS 63 HE1 LYS 63 3.542 9.854 -1.495 381 HZ1 LYS 63 HZ1 LYS 63 2.558 10.504 0.616 382 HZ2 LYS 63 HZ2 LYS 63 2.267 11.691 -0.563 383 HZ3 LYS 63 HZ3 LYS 63 3.455 11.944 0.617 384 H ASN 64 HN ASN 64 6.309 5.363 0.308 385 HA ASN 64 HA ASN 64 6.684 4.767 3.123 386 HB2 ASN 64 HB2 ASN 64 7.353 3.078 1.486 387 HB3 ASN 64 HB1 ASN 64 8.465 4.219 0.740 388 HD21 ASN 64 HD21 ASN 64 10.429 4.613 1.678 389 HD22 ASN 64 HD22 ASN 64 11.032 3.688 3.018 390 H ALA 65 HN ALA 65 8.146 5.724 4.451 391 HA ALA 65 HA ALA 65 8.499 8.411 4.370 392 HB1 ALA 65 HB1 ALA 65 10.551 6.622 5.636 393 HB2 ALA 65 HB2 ALA 65 8.925 6.807 6.286 394 HB3 ALA 65 HB3 ALA 65 9.995 8.205 6.177 395 H SER 66 HN SER 66 11.054 6.087 3.509 396 HA SER 66 HA SER 66 12.578 8.245 2.254 397 HB2 SER 66 HB2 SER 66 13.387 5.411 2.950 398 HB3 SER 66 HB1 SER 66 14.457 6.649 2.290 399 HG SER 66 HG SER 66 14.655 7.468 4.207 400 HA PRO 67 HA PRO 67 11.672 6.472 -1.757 401 HB2 PRO 67 HB2 PRO 67 13.237 8.020 -3.262 402 HB3 PRO 67 HB1 PRO 67 11.840 8.689 -2.411 403 HG2 PRO 67 HG2 PRO 67 14.737 8.863 -1.732 404 HG3 PRO 67 HG1 PRO 67 13.465 10.080 -1.538 405 HD2 PRO 67 HD2 PRO 67 14.451 8.392 0.468 406 HD3 PRO 67 HD1 PRO 67 12.944 9.326 0.543 407 H VAL 68 HN VAL 68 14.025 5.446 0.000 408 HA VAL 68 HA VAL 68 15.489 4.142 -2.201 409 HB VAL 68 HB VAL 68 16.723 4.739 0.481 410 HG11 VAL 68 HG11 VAL 68 18.128 4.154 -2.099 411 HG12 VAL 68 HG12 VAL 68 17.507 2.858 -1.083 412 HG13 VAL 68 HG13 VAL 68 18.721 3.974 -0.447 413 HG21 VAL 68 HG21 VAL 68 17.973 6.543 -0.623 414 HG22 VAL 68 HG22 VAL 68 16.239 6.866 -0.607 415 HG23 VAL 68 HG23 VAL 68 17.019 6.300 -2.086 416 H HIS 69 HN HIS 69 15.535 3.681 1.324 417 HA HIS 69 HA HIS 69 14.875 0.864 0.922 418 HB2 HIS 69 HB2 HIS 69 15.743 2.374 3.385 419 HB3 HIS 69 HB1 HIS 69 15.261 0.692 3.408 420 HD1 HIS 69 HD1 HIS 69 17.087 -0.935 3.165 421 HD2 HIS 69 HD2 HIS 69 18.099 2.780 1.596 422 HE1 HIS 69 HE1 HIS 69 19.502 -1.120 2.500 423 HE2 HIS 69 HE2 HIS 69 20.145 1.204 1.759 424 H CYS 70 HN CYS 70 13.326 -0.107 2.462 425 HA CYS 70 HA CYS 70 10.951 1.611 2.669 426 HB2 CYS 70 HB2 CYS 70 10.758 -0.452 1.278 427 HB3 CYS 70 HB1 CYS 70 11.117 -1.416 2.704 428 HG CYS 70 HG CYS 70 8.780 -0.178 4.029 429 H ASN 71 HN ASN 71 10.314 2.238 4.602 430 HA ASN 71 HA ASN 71 11.367 0.825 6.968 431 HB2 ASN 71 HB2 ASN 71 10.719 3.779 6.712 432 HB3 ASN 71 HB1 ASN 71 11.304 2.979 8.166 433 HD21 ASN 71 HD21 ASN 71 12.431 5.193 6.695 434 HD22 ASN 71 HD22 ASN 71 14.025 4.708 6.225 435 H TYR 72 HN TYR 72 8.983 3.392 6.615 436 HA TYR 72 HA TYR 72 6.844 1.542 7.389 437 HB2 TYR 72 HB2 TYR 72 7.046 4.329 8.528 438 HB3 TYR 72 HB1 TYR 72 5.960 3.038 9.018 439 HD1 TYR 72 HD2 TYR 72 6.906 1.045 10.228 440 HD2 TYR 72 HD1 TYR 72 9.170 4.577 9.534 441 HE1 TYR 72 HE2 TYR 72 8.483 0.373 11.986 442 HE2 TYR 72 HE1 TYR 72 10.754 3.914 11.294 443 HH TYR 72 HH TYR 72 10.848 2.490 13.251 444 H LEU 73 HN LEU 73 4.691 2.558 6.998 445 HA LEU 73 HA LEU 73 4.820 4.160 4.541 446 HB2 LEU 73 HB2 LEU 73 2.773 2.211 5.569 447 HB3 LEU 73 HB1 LEU 73 2.399 3.349 4.292 448 HG LEU 73 HG LEU 73 4.405 1.100 4.206 449 HD11 LEU 73 HD11 LEU 73 3.000 0.360 2.316 450 HD12 LEU 73 HD12 LEU 73 1.888 1.690 2.647 451 HD13 LEU 73 HD13 LEU 73 2.115 0.409 3.841 452 HD21 LEU 73 HD21 LEU 73 4.864 1.829 1.898 453 HD22 LEU 73 HD22 LEU 73 5.383 3.018 3.094 454 HD23 LEU 73 HD23 LEU 73 3.895 3.276 2.182 455 H LYS 74 HN LYS 74 4.175 6.172 4.597 456 HA LYS 74 HA LYS 74 2.568 7.091 6.880 457 HB2 LYS 74 HB2 LYS 74 4.522 8.449 5.044 458 HB3 LYS 74 HB1 LYS 74 3.287 9.401 5.856 459 HG2 LYS 74 HG2 LYS 74 5.346 9.473 7.106 460 HG3 LYS 74 HG1 LYS 74 4.124 8.599 8.027 461 HD2 LYS 74 HD2 LYS 74 5.118 6.468 7.242 462 HD3 LYS 74 HD1 LYS 74 6.383 7.393 6.431 463 HE2 LYS 74 HE2 LYS 74 7.189 6.594 8.568 464 HE3 LYS 74 HE1 LYS 74 7.043 8.352 8.597 465 HZ1 LYS 74 HZ1 LYS 74 6.154 7.588 10.616 466 HZ2 LYS 74 HZ2 LYS 74 5.263 6.351 9.876 467 HZ3 LYS 74 HZ3 LYS 74 4.801 7.970 9.665 468 H CYS 75 HN CYS 75 0.474 6.966 6.415 469 HA CYS 75 HA CYS 75 -0.380 7.556 3.662 470 HB2 CYS 75 HB2 CYS 75 -2.104 6.067 5.600 471 HB3 CYS 75 HB1 CYS 75 -2.029 5.942 3.847 472 H THR 76 HN THR 76 -2.239 8.780 3.299 473 HA THR 76 HA THR 76 -3.409 10.120 5.641 474 HB THR 76 HB THR 76 -1.877 11.666 4.407 475 HG1 THR 76 HG1 THR 76 -3.517 12.688 5.465 476 HG21 THR 76 HG21 THR 76 -3.848 11.289 2.149 477 HG22 THR 76 HG22 THR 76 -2.155 10.792 2.152 478 HG23 THR 76 HG23 THR 76 -2.571 12.505 2.201 479 H ASN 77 HN ASN 77 -5.610 10.955 5.202 480 HA ASN 77 HA ASN 77 -7.769 10.697 4.557 481 HB2 ASN 77 HB2 ASN 77 -6.428 9.903 1.982 482 HB3 ASN 77 HB1 ASN 77 -8.180 9.883 2.155 483 HD21 ASN 77 HD21 ASN 77 -8.479 11.479 0.621 484 HD22 ASN 77 HD22 ASN 77 -8.073 13.138 0.922 485 H LEU 78 HN LEU 78 -6.688 8.687 6.097 486 HA LEU 78 HA LEU 78 -7.150 6.080 5.106 487 HB2 LEU 78 HB2 LEU 78 -7.074 7.156 7.920 488 HB3 LEU 78 HB1 LEU 78 -7.186 5.451 7.535 489 HG LEU 78 HG LEU 78 -4.901 7.221 6.668 490 HD11 LEU 78 HD11 LEU 78 -5.060 5.294 8.981 491 HD12 LEU 78 HD12 LEU 78 -4.977 7.051 9.101 492 HD13 LEU 78 HD13 LEU 78 -3.613 6.147 8.441 493 HD21 LEU 78 HD21 LEU 78 -3.784 5.131 6.164 494 HD22 LEU 78 HD22 LEU 78 -5.305 5.228 5.279 495 HD23 LEU 78 HD23 LEU 78 -5.188 4.220 6.720 496 H ALA 79 HN ALA 79 -8.878 4.659 5.437 497 HA ALA 79 HA ALA 79 -11.432 6.033 5.928 498 HB1 ALA 79 HB1 ALA 79 -12.456 4.311 4.482 499 HB2 ALA 79 HB2 ALA 79 -10.852 3.644 4.173 500 HB3 ALA 79 HB3 ALA 79 -11.242 5.280 3.651 501 H ALA 80 HN ALA 80 -10.688 5.523 8.228 502 HA ALA 80 HA ALA 80 -11.228 4.542 10.191 503 HB1 ALA 80 HB1 ALA 80 -13.280 3.273 10.337 504 HB2 ALA 80 HB2 ALA 80 -13.289 3.042 8.588 505 HB3 ALA 80 HB3 ALA 80 -13.495 4.657 9.264 506 H GLY 81 HN GLY 81 -12.183 1.628 8.491 507 HA2 GLY 81 HA2 GLY 81 -10.280 0.093 10.044 508 HA3 GLY 81 HA1 GLY 81 -11.504 -0.547 8.955 509 H PHE 82 HN PHE 82 -10.403 1.525 6.956 510 HA PHE 82 HA PHE 82 -8.463 -0.272 5.780 511 HB2 PHE 82 HB2 PHE 82 -9.679 2.308 4.794 512 HB3 PHE 82 HB1 PHE 82 -8.507 1.367 3.884 513 HD1 PHE 82 HD2 PHE 82 -9.112 -0.823 2.976 514 HD2 PHE 82 HD1 PHE 82 -11.958 1.631 4.968 515 HE1 PHE 82 HE2 PHE 82 -10.935 -2.162 2.009 516 HE2 PHE 82 HE1 PHE 82 -13.789 0.299 4.004 517 HZ PHE 82 HZ PHE 82 -13.278 -1.601 2.523 518 H SER 83 HN SER 83 -6.516 -0.174 6.620 519 HA SER 83 HA SER 83 -5.114 2.411 6.543 520 HB2 SER 83 HB2 SER 83 -4.643 0.302 8.667 521 HB3 SER 83 HB1 SER 83 -3.958 1.925 8.599 522 HG SER 83 HG SER 83 -6.667 1.990 8.528 523 H ALA 84 HN ALA 84 -2.643 1.924 6.432 524 HA ALA 84 HA ALA 84 -2.405 -0.315 4.554 525 HB1 ALA 84 HB1 ALA 84 -0.429 0.831 3.671 526 HB2 ALA 84 HB2 ALA 84 -0.632 2.100 4.876 527 HB3 ALA 84 HB3 ALA 84 -1.856 1.867 3.632 528 H GLY 85 HN GLY 85 -0.269 -1.429 4.499 529 HA2 GLY 85 HA2 GLY 85 0.924 -1.685 7.173 530 HA3 GLY 85 HA1 GLY 85 0.205 -3.106 6.425 531 H THR 86 HN THR 86 2.346 -3.991 6.716 532 HA THR 86 HA THR 86 4.634 -2.930 5.407 533 HB THR 86 HB THR 86 4.697 -4.445 7.386 534 HG1 THR 86 HG1 THR 86 6.632 -4.348 6.373 535 HG21 THR 86 HG21 THR 86 2.943 -6.002 6.693 536 HG22 THR 86 HG22 THR 86 4.445 -6.852 7.065 537 HG23 THR 86 HG23 THR 86 3.977 -6.586 5.385 538 H SER 87 HN SER 87 5.862 -4.819 3.992 539 HA SER 87 HA SER 87 4.083 -5.288 1.690 540 HB2 SER 87 HB2 SER 87 6.162 -4.814 0.298 541 HB3 SER 87 HB1 SER 87 5.447 -3.424 1.115 542 HG SER 87 HG SER 87 7.413 -4.846 2.489 543 H THR 88 HN THR 88 4.640 -7.075 0.321 544 HA THR 88 HA THR 88 6.488 -9.050 1.469 545 HB THR 88 HB THR 88 4.817 -10.834 1.178 546 HG1 THR 88 HG1 THR 88 2.692 -10.334 0.736 547 HG21 THR 88 HG21 THR 88 4.097 -8.614 3.086 548 HG22 THR 88 HG22 THR 88 5.113 -10.019 3.406 549 HG23 THR 88 HG23 THR 88 3.381 -10.225 3.147 550 H ASP 89 HN ASP 89 5.670 -11.145 -0.178 551 HA ASP 89 HA ASP 89 5.723 -12.070 -2.220 552 HB2 ASP 89 HB2 ASP 89 3.856 -10.604 -2.759 553 HB3 ASP 89 HB1 ASP 89 4.969 -9.310 -3.189 554 H VAL 90 HN VAL 90 6.918 -8.871 -3.217 555 HA VAL 90 HA VAL 90 8.943 -10.082 -4.769 556 HB VAL 90 HB VAL 90 9.831 -7.707 -5.035 557 HG11 VAL 90 HG11 VAL 90 7.981 -7.100 -6.523 558 HG12 VAL 90 HG12 VAL 90 6.963 -8.311 -5.741 559 HG13 VAL 90 HG13 VAL 90 8.386 -8.812 -6.656 560 HG21 VAL 90 HG21 VAL 90 8.361 -7.139 -2.825 561 HG22 VAL 90 HG22 VAL 90 7.251 -6.641 -4.109 562 HG23 VAL 90 HG23 VAL 90 8.869 -5.944 -4.017 563 H LEU 91 HN LEU 91 8.994 -8.450 -1.629 564 HA LEU 91 HA LEU 91 11.859 -8.879 -1.428 565 HB2 LEU 91 HB2 LEU 91 11.641 -7.727 0.764 566 HB3 LEU 91 HB1 LEU 91 11.118 -6.774 -0.610 567 HG LEU 91 HG LEU 91 9.054 -8.304 0.897 568 HD11 LEU 91 HD11 LEU 91 10.295 -5.720 1.838 569 HD12 LEU 91 HD12 LEU 91 10.341 -7.271 2.676 570 HD13 LEU 91 HD13 LEU 91 8.807 -6.423 2.471 571 HD21 LEU 91 HD21 LEU 91 7.720 -6.310 0.328 572 HD22 LEU 91 HD22 LEU 91 8.405 -7.100 -1.093 573 HD23 LEU 91 HD23 LEU 91 9.134 -5.619 -0.469 574 H SER 92 HN SER 92 8.884 -10.095 0.035 575 HA SER 92 HA SER 92 10.265 -11.477 2.126 576 HB2 SER 92 HB2 SER 92 7.398 -11.829 1.251 577 HB3 SER 92 HB1 SER 92 8.090 -12.196 2.831 578 HG SER 92 HG SER 92 8.394 -10.006 3.191 579 H SER 93 HN SER 93 8.772 -12.452 -0.948 580 HA SER 93 HA SER 93 8.871 -14.378 -2.156 581 HB2 SER 93 HB2 SER 93 11.298 -15.005 -0.456 582 HB3 SER 93 HB1 SER 93 10.886 -15.745 -2.002 583 HG SER 93 HG SER 93 12.173 -13.411 -1.492 584 H GLY 94 HN GLY 94 7.020 -15.408 -1.579 585 HA2 GLY 94 HA2 GLY 94 6.177 -17.553 -0.827 586 HA3 GLY 94 HA1 GLY 94 7.254 -17.435 0.561 587 H THR 95 HN THR 95 5.213 -14.921 -0.777 588 HA THR 95 HA THR 95 3.521 -14.962 1.618 589 HB THR 95 HB THR 95 3.780 -12.330 1.404 590 HG1 THR 95 HG1 THR 95 5.898 -13.423 -0.008 591 HG21 THR 95 HG21 THR 95 5.990 -13.863 2.732 592 HG22 THR 95 HG22 THR 95 4.346 -13.873 3.359 593 HG23 THR 95 HG23 THR 95 5.243 -12.358 3.257 594 H VAL 96 HN VAL 96 1.585 -13.502 1.310 595 HA VAL 96 HA VAL 96 0.662 -13.811 -1.440 596 HB VAL 96 HB VAL 96 -1.591 -13.223 -0.534 597 HG11 VAL 96 HG11 VAL 96 -1.912 -15.348 0.642 598 HG12 VAL 96 HG12 VAL 96 -0.165 -15.507 0.821 599 HG13 VAL 96 HG13 VAL 96 -0.894 -15.539 -0.785 600 HG21 VAL 96 HG21 VAL 96 -1.928 -13.241 1.893 601 HG22 VAL 96 HG22 VAL 96 -0.908 -11.890 1.393 602 HG23 VAL 96 HG23 VAL 96 -0.183 -13.318 2.134 603 H GLY 97 HN GLY 97 0.801 -12.234 -2.830 604 HA2 GLY 97 HA2 GLY 97 -0.101 -9.587 -2.272 605 HA3 GLY 97 HA1 GLY 97 1.654 -9.656 -2.374 606 H SER 98 HN SER 98 -1.337 -10.117 -4.121 607 HA SER 98 HA SER 98 -0.233 -10.971 -6.562 608 HB2 SER 98 HB2 SER 98 -2.825 -9.473 -6.105 609 HB3 SER 98 HB1 SER 98 -2.416 -10.461 -7.509 610 HG SER 98 HG SER 98 -3.294 -11.217 -5.015 Start of MODEL 8 1 H1 SER 19 HT1 SER 19 19.286 -0.248 -2.178 2 H2 SER 19 HT2 SER 19 19.208 0.762 -0.815 3 H3 SER 19 HT3 SER 19 20.652 0.633 -1.696 4 HA SER 19 HA SER 19 19.527 2.699 -2.187 5 HB2 SER 19 HB2 SER 19 19.357 0.782 -4.519 6 HB3 SER 19 HB1 SER 19 19.640 2.522 -4.589 7 HG SER 19 HG SER 19 21.476 0.793 -4.627 8 H PHE 20 HN PHE 20 17.736 3.135 -4.237 9 HA PHE 20 HA PHE 20 15.257 2.914 -2.944 10 HB2 PHE 20 HB2 PHE 20 14.281 3.633 -5.150 11 HB3 PHE 20 HB1 PHE 20 15.527 4.687 -4.498 12 HD1 PHE 20 HD1 PHE 20 14.677 2.307 -7.143 13 HD2 PHE 20 HD2 PHE 20 17.664 4.914 -5.597 14 HE1 PHE 20 HE1 PHE 20 15.891 2.173 -9.277 15 HE2 PHE 20 HE2 PHE 20 18.889 4.779 -7.728 16 HZ PHE 20 HZ PHE 20 18.001 3.411 -9.570 17 H VAL 21 HN VAL 21 13.599 1.561 -3.088 18 HA VAL 21 HA VAL 21 13.933 -0.869 -4.685 19 HB VAL 21 HB VAL 21 14.849 -1.477 -2.581 20 HG11 VAL 21 HG11 VAL 21 12.392 -0.316 -1.281 21 HG12 VAL 21 HG12 VAL 21 13.980 0.445 -1.348 22 HG13 VAL 21 HG13 VAL 21 13.764 -1.064 -0.458 23 HG21 VAL 21 HG21 VAL 21 13.110 -3.039 -3.589 24 HG22 VAL 21 HG22 VAL 21 12.005 -2.432 -2.351 25 HG23 VAL 21 HG23 VAL 21 13.484 -3.269 -1.882 26 H GLN 22 HN GLN 22 12.047 -1.825 -5.375 27 HA GLN 22 HA GLN 22 9.592 -0.299 -4.951 28 HB2 GLN 22 HB2 GLN 22 8.715 -1.640 -6.854 29 HB3 GLN 22 HB1 GLN 22 10.158 -0.718 -7.266 30 HG2 GLN 22 HG2 GLN 22 10.951 -2.605 -8.117 31 HG3 GLN 22 HG1 GLN 22 11.177 -3.141 -6.455 32 HE21 GLN 22 HE21 GLN 22 8.242 -3.265 -6.038 33 HE22 GLN 22 HE22 GLN 22 7.730 -4.700 -6.845 34 H CYS 23 HN CYS 23 7.712 -1.223 -4.114 35 HA CYS 23 HA CYS 23 7.940 -3.929 -2.989 36 HB2 CYS 23 HB2 CYS 23 7.045 -1.614 -1.287 37 HB3 CYS 23 HB1 CYS 23 7.510 -3.230 -0.773 38 HG CYS 23 HG CYS 23 10.242 -2.549 -1.867 39 H ASN 24 HN ASN 24 5.964 -5.016 -2.912 40 HA ASN 24 HA ASN 24 3.599 -3.713 -3.871 41 HB2 ASN 24 HB2 ASN 24 2.481 -5.854 -2.884 42 HB3 ASN 24 HB1 ASN 24 3.488 -6.003 -4.315 43 HD21 ASN 24 HD21 ASN 24 5.349 -7.175 -4.207 44 HD22 ASN 24 HD22 ASN 24 5.841 -8.059 -2.800 45 H HIS 25 HN HIS 25 2.528 -2.278 -2.734 46 HA HIS 25 HA HIS 25 2.885 -2.137 0.130 47 HB2 HIS 25 HB2 HIS 25 1.422 -0.419 -1.858 48 HB3 HIS 25 HB1 HIS 25 1.303 -0.145 -0.127 49 HD1 HIS 25 HD1 HIS 25 4.391 -0.885 -2.244 50 HD2 HIS 25 HD2 HIS 25 2.854 2.011 0.312 51 HE1 HIS 25 HE1 HIS 25 6.239 0.787 -1.926 52 HE2 HIS 25 HE2 HIS 25 5.340 2.437 -0.257 53 H HIS 26 HN HIS 26 1.623 -3.034 1.559 54 HA HIS 26 HA HIS 26 -0.798 -4.375 0.655 55 HB2 HIS 26 HB2 HIS 26 0.784 -4.540 3.222 56 HB3 HIS 26 HB1 HIS 26 -0.765 -5.343 3.007 57 HD1 HIS 26 HD1 HIS 26 -0.147 -7.752 2.891 58 HD2 HIS 26 HD2 HIS 26 2.279 -5.383 0.477 59 HE1 HIS 26 HE1 HIS 26 1.293 -9.352 1.591 60 HE2 HIS 26 HE2 HIS 26 2.884 -7.891 0.301 61 H LEU 27 HN LEU 27 -2.718 -3.487 0.883 62 HA LEU 27 HA LEU 27 -3.117 -1.410 2.915 63 HB2 LEU 27 HB2 LEU 27 -3.868 -1.257 0.412 64 HB3 LEU 27 HB1 LEU 27 -5.175 -2.324 0.908 65 HG LEU 27 HG LEU 27 -5.861 0.040 0.841 66 HD11 LEU 27 HD11 LEU 27 -6.928 0.160 3.002 67 HD12 LEU 27 HD12 LEU 27 -5.795 -1.029 3.653 68 HD13 LEU 27 HD13 LEU 27 -6.958 -1.502 2.409 69 HD21 LEU 27 HD21 LEU 27 -3.728 1.066 1.398 70 HD22 LEU 27 HD22 LEU 27 -3.831 0.419 3.035 71 HD23 LEU 27 HD23 LEU 27 -4.996 1.621 2.487 72 H LEU 28 HN LEU 28 -4.211 -1.846 4.716 73 HA LEU 28 HA LEU 28 -5.106 -4.615 5.071 74 HB2 LEU 28 HB2 LEU 28 -3.399 -2.898 6.583 75 HB3 LEU 28 HB1 LEU 28 -4.802 -3.287 7.557 76 HG LEU 28 HG LEU 28 -2.981 -4.839 7.979 77 HD11 LEU 28 HD11 LEU 28 -4.191 -6.939 7.612 78 HD12 LEU 28 HD12 LEU 28 -5.293 -6.099 6.520 79 HD13 LEU 28 HD13 LEU 28 -5.240 -5.662 8.228 80 HD21 LEU 28 HD21 LEU 28 -1.784 -4.796 5.932 81 HD22 LEU 28 HD22 LEU 28 -3.183 -5.373 5.030 82 HD23 LEU 28 HD23 LEU 28 -2.356 -6.452 6.156 83 H TYR 29 HN TYR 29 -7.127 -5.010 5.459 84 HA TYR 29 HA TYR 29 -8.924 -2.832 6.269 85 HB2 TYR 29 HB2 TYR 29 -9.515 -4.093 4.193 86 HB3 TYR 29 HB1 TYR 29 -9.571 -5.574 5.140 87 HD1 TYR 29 HD2 TYR 29 -11.116 -2.203 4.883 88 HD2 TYR 29 HD1 TYR 29 -11.580 -6.241 6.139 89 HE1 TYR 29 HE2 TYR 29 -13.485 -1.774 5.368 90 HE2 TYR 29 HE1 TYR 29 -13.954 -5.822 6.625 91 HH TYR 29 HH TYR 29 -15.447 -3.987 7.110 92 H ASN 30 HN ASN 30 -10.149 -3.097 8.170 93 HA ASN 30 HA ASN 30 -9.015 -4.552 10.257 94 HB2 ASN 30 HB2 ASN 30 -11.783 -3.396 9.922 95 HB3 ASN 30 HB1 ASN 30 -11.286 -4.215 11.398 96 HD21 ASN 30 HD21 ASN 30 -12.080 -1.454 11.020 97 HD22 ASN 30 HD22 ASN 30 -10.748 -0.487 11.560 98 H GLY 31 HN GLY 31 -8.701 -6.648 10.092 99 HA2 GLY 31 HA2 GLY 31 -10.135 -8.752 10.504 100 HA3 GLY 31 HA1 GLY 31 -10.802 -8.336 8.931 101 H ARG 32 HN ARG 32 -8.755 -7.672 7.379 102 HA ARG 32 HA ARG 32 -6.447 -9.300 7.577 103 HB2 ARG 32 HB2 ARG 32 -8.333 -11.008 7.191 104 HB3 ARG 32 HB1 ARG 32 -8.440 -10.346 5.568 105 HG2 ARG 32 HG2 ARG 32 -7.101 -12.291 5.443 106 HG3 ARG 32 HG1 ARG 32 -6.011 -10.913 5.280 107 HD2 ARG 32 HD2 ARG 32 -5.002 -12.512 6.747 108 HD3 ARG 32 HD1 ARG 32 -5.492 -11.111 7.700 109 HE ARG 32 HE ARG 32 -7.270 -13.440 7.576 110 HH11 ARG 32 HH11 ARG 32 -5.042 -11.462 9.426 111 HH12 ARG 32 HH12 ARG 32 -5.578 -12.089 10.957 112 HH21 ARG 32 HH21 ARG 32 -7.954 -14.266 9.583 113 HH22 ARG 32 HH22 ARG 32 -7.202 -13.686 11.048 114 H HIS 33 HN HIS 33 -5.305 -9.419 5.379 115 HA HIS 33 HA HIS 33 -4.921 -7.022 4.127 116 HB2 HIS 33 HB2 HIS 33 -3.418 -8.876 3.794 117 HB3 HIS 33 HB1 HIS 33 -4.682 -9.837 3.043 118 HD1 HIS 33 HD1 HIS 33 -5.021 -9.587 0.551 119 HD2 HIS 33 HD2 HIS 33 -2.355 -6.803 2.124 120 HE1 HIS 33 HE1 HIS 33 -3.936 -8.483 -1.433 121 HE2 HIS 33 HE2 HIS 33 -2.192 -6.949 -0.457 122 H TRP 34 HN TRP 34 -5.880 -5.832 2.552 123 HA TRP 34 HA TRP 34 -8.347 -6.937 1.394 124 HB2 TRP 34 HB2 TRP 34 -8.462 -4.823 2.795 125 HB3 TRP 34 HB1 TRP 34 -7.562 -4.022 1.511 126 HD1 TRP 34 HD1 TRP 34 -10.987 -5.543 2.268 127 HE1 TRP 34 HE1 TRP 34 -12.669 -4.743 0.491 128 HE3 TRP 34 HE3 TRP 34 -7.748 -3.153 -0.887 129 HZ2 TRP 34 HZ2 TRP 34 -12.620 -3.284 -1.924 130 HZ3 TRP 34 HZ3 TRP 34 -8.649 -2.084 -2.909 131 HH2 TRP 34 HH2 TRP 34 -11.036 -2.149 -3.415 132 H GLY 35 HN GLY 35 -5.645 -4.761 0.488 133 HA2 GLY 35 HA2 GLY 35 -5.521 -6.043 -2.130 134 HA3 GLY 35 HA1 GLY 35 -6.004 -4.351 -2.128 135 H THR 36 HN THR 36 -3.751 -5.210 -3.471 136 HA THR 36 HA THR 36 -1.685 -3.808 -1.998 137 HB THR 36 HB THR 36 -1.750 -6.679 -2.622 138 HG1 THR 36 HG1 THR 36 -0.527 -4.952 -0.754 139 HG21 THR 36 HG21 THR 36 -0.159 -5.919 -4.286 140 HG22 THR 36 HG22 THR 36 0.627 -6.884 -3.035 141 HG23 THR 36 HG23 THR 36 0.798 -5.125 -3.037 142 H ILE 37 HN ILE 37 -0.628 -2.442 -3.274 143 HA ILE 37 HA ILE 37 -0.512 -2.949 -6.172 144 HB ILE 37 HB ILE 37 -0.573 -0.245 -4.798 145 HG12 ILE 37 HG12 ILE 37 -2.639 0.079 -6.288 146 HG13 ILE 37 HG11 ILE 37 -2.643 -1.679 -6.457 147 HG21 ILE 37 HG21 ILE 37 -0.349 -0.942 -7.719 148 HG22 ILE 37 HG22 ILE 37 0.891 -0.198 -6.710 149 HG23 ILE 37 HG23 ILE 37 -0.590 0.684 -7.079 150 HD11 ILE 37 HD11 ILE 37 -2.930 -1.931 -4.067 151 HD12 ILE 37 HD12 ILE 37 -4.191 -0.895 -4.738 152 HD13 ILE 37 HD13 ILE 37 -2.843 -0.183 -3.854 153 H ARG 38 HN ARG 38 1.549 -3.090 -6.984 154 HA ARG 38 HA ARG 38 3.761 -2.703 -5.186 155 HB2 ARG 38 HB2 ARG 38 3.519 -3.616 -8.017 156 HB3 ARG 38 HB1 ARG 38 5.083 -3.057 -7.433 157 HG2 ARG 38 HG2 ARG 38 4.610 -4.694 -5.464 158 HG3 ARG 38 HG1 ARG 38 3.497 -5.442 -6.615 159 HD2 ARG 38 HD2 ARG 38 6.446 -4.953 -7.032 160 HD3 ARG 38 HD1 ARG 38 5.693 -6.511 -6.697 161 HE ARG 38 HE ARG 38 4.564 -5.302 -9.013 162 HH11 ARG 38 HH11 ARG 38 7.401 -7.042 -7.901 163 HH12 ARG 38 HH12 ARG 38 7.802 -7.639 -9.476 164 HH21 ARG 38 HH21 ARG 38 5.084 -6.114 -11.074 165 HH22 ARG 38 HH22 ARG 38 6.486 -7.128 -11.280 166 H LYS 39 HN LYS 39 4.982 -1.014 -4.922 167 HA LYS 39 HA LYS 39 5.142 1.049 -6.956 168 HB2 LYS 39 HB2 LYS 39 3.137 1.542 -5.442 169 HB3 LYS 39 HB1 LYS 39 4.310 1.828 -4.164 170 HG2 LYS 39 HG2 LYS 39 3.594 3.907 -5.219 171 HG3 LYS 39 HG1 LYS 39 5.318 3.619 -5.460 172 HD2 LYS 39 HD2 LYS 39 4.268 4.422 -7.513 173 HD3 LYS 39 HD1 LYS 39 4.866 2.774 -7.713 174 HE2 LYS 39 HE2 LYS 39 2.548 1.968 -7.216 175 HE3 LYS 39 HE1 LYS 39 2.015 3.647 -7.266 176 HZ1 LYS 39 HZ1 LYS 39 3.330 2.205 -9.506 177 HZ2 LYS 39 HZ2 LYS 39 2.735 3.794 -9.556 178 HZ3 LYS 39 HZ3 LYS 39 1.663 2.490 -9.378 179 H LYS 40 HN LYS 40 6.854 2.517 -6.572 180 HA LYS 40 HA LYS 40 9.078 1.180 -5.285 181 HB2 LYS 40 HB2 LYS 40 9.071 3.717 -6.926 182 HB3 LYS 40 HB1 LYS 40 10.442 2.662 -6.597 183 HG2 LYS 40 HG2 LYS 40 9.580 0.946 -7.975 184 HG3 LYS 40 HG1 LYS 40 8.010 1.740 -8.099 185 HD2 LYS 40 HD2 LYS 40 9.254 2.042 -10.149 186 HD3 LYS 40 HD1 LYS 40 9.073 3.590 -9.326 187 HE2 LYS 40 HE2 LYS 40 11.322 3.500 -8.523 188 HE3 LYS 40 HE1 LYS 40 11.515 1.845 -9.105 189 HZ1 LYS 40 HZ1 LYS 40 11.270 2.656 -11.371 190 HZ2 LYS 40 HZ2 LYS 40 12.559 3.443 -10.598 191 HZ3 LYS 40 HZ3 LYS 40 11.082 4.246 -10.813 192 H ALA 41 HN ALA 41 10.416 2.136 -3.724 193 HA ALA 41 HA ALA 41 9.168 3.667 -1.743 194 HB1 ALA 41 HB1 ALA 41 12.098 3.169 -2.241 195 HB2 ALA 41 HB2 ALA 41 11.017 2.243 -1.201 196 HB3 ALA 41 HB3 ALA 41 11.440 3.900 -0.777 197 H GLY 42 HN GLY 42 9.126 5.778 -1.261 198 HA2 GLY 42 HA2 GLY 42 9.716 8.059 -1.457 199 HA3 GLY 42 HA1 GLY 42 10.583 7.680 -2.939 200 H TRP 43 HN TRP 43 8.146 6.046 -3.747 201 HA TRP 43 HA TRP 43 6.666 8.309 -4.876 202 HB2 TRP 43 HB2 TRP 43 6.715 5.408 -5.749 203 HB3 TRP 43 HB1 TRP 43 5.912 6.730 -6.591 204 HD1 TRP 43 HD1 TRP 43 9.432 5.401 -5.798 205 HE1 TRP 43 HE1 TRP 43 11.090 6.383 -7.502 206 HE3 TRP 43 HE3 TRP 43 6.280 8.625 -8.199 207 HZ2 TRP 43 HZ2 TRP 43 11.055 8.278 -9.600 208 HZ3 TRP 43 HZ3 TRP 43 7.170 9.988 -10.045 209 HH2 TRP 43 HH2 TRP 43 9.506 9.819 -10.728 210 H ALA 44 HN ALA 44 4.524 8.567 -4.548 211 HA ALA 44 HA ALA 44 3.322 7.123 -2.373 212 HB1 ALA 44 HB1 ALA 44 3.022 9.525 -2.539 213 HB2 ALA 44 HB2 ALA 44 1.466 8.711 -2.676 214 HB3 ALA 44 HB3 ALA 44 2.253 9.344 -4.117 215 H VAL 45 HN VAL 45 1.506 5.808 -2.479 216 HA VAL 45 HA VAL 45 0.721 4.873 -5.171 217 HB VAL 45 HB VAL 45 -0.103 3.204 -2.916 218 HG11 VAL 45 HG11 VAL 45 1.400 2.620 -5.455 219 HG12 VAL 45 HG12 VAL 45 -0.344 2.522 -5.220 220 HG13 VAL 45 HG13 VAL 45 0.725 1.417 -4.358 221 HG21 VAL 45 HG21 VAL 45 2.161 2.204 -2.591 222 HG22 VAL 45 HG22 VAL 45 1.944 3.819 -1.905 223 HG23 VAL 45 HG23 VAL 45 2.831 3.612 -3.423 224 H ARG 46 HN ARG 46 -1.531 4.349 -5.478 225 HA ARG 46 HA ARG 46 -3.271 5.902 -3.704 226 HB2 ARG 46 HB2 ARG 46 -4.736 6.266 -5.464 227 HB3 ARG 46 HB1 ARG 46 -3.172 6.328 -6.254 228 HG2 ARG 46 HG2 ARG 46 -5.008 3.941 -6.245 229 HG3 ARG 46 HG1 ARG 46 -4.886 5.122 -7.546 230 HD2 ARG 46 HD2 ARG 46 -2.381 4.498 -7.572 231 HD3 ARG 46 HD1 ARG 46 -2.878 3.078 -6.649 232 HE ARG 46 HE ARG 46 -3.917 2.225 -8.529 233 HH11 ARG 46 HH11 ARG 46 -2.871 5.519 -9.104 234 HH12 ARG 46 HH12 ARG 46 -3.198 5.465 -10.807 235 HH21 ARG 46 HH21 ARG 46 -4.338 2.152 -10.794 236 HH22 ARG 46 HH22 ARG 46 -4.054 3.573 -11.759 237 H PHE 47 HN PHE 47 -4.701 4.925 -2.442 238 HA PHE 47 HA PHE 47 -5.366 2.119 -3.022 239 HB2 PHE 47 HB2 PHE 47 -5.026 3.412 -0.305 240 HB3 PHE 47 HB1 PHE 47 -5.599 1.770 -0.580 241 HD1 PHE 47 HD1 PHE 47 -4.062 0.092 -1.587 242 HD2 PHE 47 HD2 PHE 47 -2.732 3.930 -0.329 243 HE1 PHE 47 HE1 PHE 47 -1.739 -0.719 -1.581 244 HE2 PHE 47 HE2 PHE 47 -0.410 3.128 -0.318 245 HZ PHE 47 HZ PHE 47 0.089 0.798 -0.945 246 H TYR 48 HN TYR 48 -7.430 1.711 -3.245 247 HA TYR 48 HA TYR 48 -9.457 3.515 -2.186 248 HB2 TYR 48 HB2 TYR 48 -10.522 3.638 -4.472 249 HB3 TYR 48 HB1 TYR 48 -9.015 4.535 -4.325 250 HD1 TYR 48 HD2 TYR 48 -10.574 1.498 -5.721 251 HD2 TYR 48 HD1 TYR 48 -7.089 3.931 -5.610 252 HE1 TYR 48 HE2 TYR 48 -9.656 0.262 -7.632 253 HE2 TYR 48 HE1 TYR 48 -6.162 2.702 -7.528 254 HH TYR 48 HH TYR 48 -8.032 0.606 -9.436 255 H GLU 49 HN GLU 49 -11.571 2.583 -2.263 256 HA GLU 49 HA GLU 49 -11.481 -0.340 -2.512 257 HB2 GLU 49 HB2 GLU 49 -13.426 -0.398 -1.067 258 HB3 GLU 49 HB1 GLU 49 -12.160 0.561 -0.311 259 HG2 GLU 49 HG2 GLU 49 -13.288 2.608 -1.023 260 HG3 GLU 49 HG1 GLU 49 -14.550 1.639 -1.784 261 H GLU 50 HN GLU 50 -12.421 -1.225 -4.233 262 HA GLU 50 HA GLU 50 -14.510 0.322 -5.584 263 HB2 GLU 50 HB2 GLU 50 -14.014 -1.162 -7.571 264 HB3 GLU 50 HB1 GLU 50 -12.764 -0.007 -7.141 265 HG2 GLU 50 HG2 GLU 50 -11.471 -1.768 -6.081 266 HG3 GLU 50 HG1 GLU 50 -12.748 -2.934 -6.428 267 H LYS 51 HN LYS 51 -16.338 -0.273 -4.723 268 HA LYS 51 HA LYS 51 -16.907 -3.116 -4.292 269 HB2 LYS 51 HB2 LYS 51 -18.502 -0.677 -3.457 270 HB3 LYS 51 HB1 LYS 51 -18.799 -2.335 -2.959 271 HG2 LYS 51 HG2 LYS 51 -16.296 -0.795 -2.297 272 HG3 LYS 51 HG1 LYS 51 -17.699 -0.926 -1.236 273 HD2 LYS 51 HD2 LYS 51 -17.430 -3.338 -1.145 274 HD3 LYS 51 HD1 LYS 51 -16.069 -3.247 -2.265 275 HE2 LYS 51 HE2 LYS 51 -15.356 -3.478 0.085 276 HE3 LYS 51 HE1 LYS 51 -14.779 -1.988 -0.658 277 HZ1 LYS 51 HZ1 LYS 51 -16.323 -0.716 0.526 278 HZ2 LYS 51 HZ2 LYS 51 -15.733 -1.822 1.668 279 HZ3 LYS 51 HZ3 LYS 51 -17.253 -2.068 0.964 280 HA PRO 52 HA PRO 52 -18.795 -3.190 -8.311 281 HB2 PRO 52 HB2 PRO 52 -20.604 -5.241 -7.626 282 HB3 PRO 52 HB1 PRO 52 -19.018 -5.438 -8.373 283 HG2 PRO 52 HG2 PRO 52 -19.819 -5.710 -5.524 284 HG3 PRO 52 HG1 PRO 52 -18.570 -6.581 -6.432 285 HD2 PRO 52 HD2 PRO 52 -17.937 -4.669 -4.667 286 HD3 PRO 52 HD1 PRO 52 -17.020 -4.873 -6.176 287 H GLY 53 HN GLY 53 -20.126 -1.617 -8.862 288 HA2 GLY 53 HA2 GLY 53 -22.424 -0.940 -9.200 289 HA3 GLY 53 HA1 GLY 53 -22.785 -1.512 -7.578 290 H GLN 54 HN GLN 54 -20.287 -0.287 -6.545 291 HA GLN 54 HA GLN 54 -21.302 2.470 -6.359 292 HB2 GLN 54 HB2 GLN 54 -19.592 0.880 -4.428 293 HB3 GLN 54 HB1 GLN 54 -20.100 2.548 -4.192 294 HG2 GLN 54 HG2 GLN 54 -22.419 1.858 -4.101 295 HG3 GLN 54 HG1 GLN 54 -21.949 0.187 -4.424 296 HE21 GLN 54 HE21 GLN 54 -20.981 -1.012 -2.811 297 HE22 GLN 54 HE22 GLN 54 -20.968 -0.519 -1.150 298 HA PRO 55 HA PRO 55 -17.509 3.948 -8.187 299 HB2 PRO 55 HB2 PRO 55 -17.329 6.362 -6.983 300 HB3 PRO 55 HB1 PRO 55 -18.461 6.033 -8.297 301 HG2 PRO 55 HG2 PRO 55 -18.961 6.100 -5.346 302 HG3 PRO 55 HG1 PRO 55 -19.949 6.759 -6.664 303 HD2 PRO 55 HD2 PRO 55 -20.534 4.413 -5.459 304 HD3 PRO 55 HD1 PRO 55 -20.858 4.698 -7.181 305 H LYS 56 HN LYS 56 -15.315 4.310 -7.628 306 HA LYS 56 HA LYS 56 -14.623 2.991 -5.166 307 HB2 LYS 56 HB2 LYS 56 -12.309 3.062 -5.938 308 HB3 LYS 56 HB1 LYS 56 -13.367 2.437 -7.189 309 HG2 LYS 56 HG2 LYS 56 -12.554 5.319 -7.157 310 HG3 LYS 56 HG1 LYS 56 -11.507 4.078 -7.848 311 HD2 LYS 56 HD2 LYS 56 -13.414 3.393 -9.305 312 HD3 LYS 56 HD1 LYS 56 -14.316 4.780 -8.689 313 HE2 LYS 56 HE2 LYS 56 -13.291 5.328 -10.818 314 HE3 LYS 56 HE1 LYS 56 -12.557 6.277 -9.525 315 HZ1 LYS 56 HZ1 LYS 56 -10.971 5.284 -11.172 316 HZ2 LYS 56 HZ2 LYS 56 -11.368 3.757 -10.551 317 HZ3 LYS 56 HZ3 LYS 56 -10.642 4.918 -9.552 318 H ARG 57 HN ARG 57 -13.679 3.811 -3.405 319 HA ARG 57 HA ARG 57 -13.527 6.748 -3.259 320 HB2 ARG 57 HB2 ARG 57 -15.305 5.807 -1.858 321 HB3 ARG 57 HB1 ARG 57 -14.141 4.749 -1.071 322 HG2 ARG 57 HG2 ARG 57 -12.956 6.723 -0.216 323 HG3 ARG 57 HG1 ARG 57 -14.177 7.753 -0.961 324 HD2 ARG 57 HD2 ARG 57 -14.640 7.459 1.392 325 HD3 ARG 57 HD1 ARG 57 -15.898 6.695 0.424 326 HE ARG 57 HE ARG 57 -14.306 4.618 0.885 327 HH11 ARG 57 HH11 ARG 57 -15.464 7.101 3.072 328 HH12 ARG 57 HH12 ARG 57 -15.446 6.049 4.462 329 HH21 ARG 57 HH21 ARG 57 -14.277 3.249 2.684 330 HH22 ARG 57 HH22 ARG 57 -14.721 3.872 4.262 331 H LEU 58 HN LEU 58 -11.713 7.676 -2.472 332 HA LEU 58 HA LEU 58 -9.326 6.101 -2.412 333 HB2 LEU 58 HB2 LEU 58 -10.026 8.922 -2.437 334 HB3 LEU 58 HB1 LEU 58 -8.704 8.591 -1.333 335 HG LEU 58 HG LEU 58 -8.699 7.705 -4.218 336 HD11 LEU 58 HD11 LEU 58 -7.462 10.169 -2.994 337 HD12 LEU 58 HD12 LEU 58 -8.831 10.141 -4.104 338 HD13 LEU 58 HD13 LEU 58 -7.240 9.612 -4.652 339 HD21 LEU 58 HD21 LEU 58 -6.398 7.265 -3.893 340 HD22 LEU 58 HD22 LEU 58 -7.218 6.555 -2.501 341 HD23 LEU 58 HD23 LEU 58 -6.381 8.096 -2.340 342 H VAL 59 HN VAL 59 -8.863 4.837 -0.771 343 HA VAL 59 HA VAL 59 -9.895 5.514 1.872 344 HB VAL 59 HB VAL 59 -9.440 3.244 2.522 345 HG11 VAL 59 HG11 VAL 59 -10.636 3.218 -0.241 346 HG12 VAL 59 HG12 VAL 59 -11.481 3.736 1.214 347 HG13 VAL 59 HG13 VAL 59 -10.937 2.066 1.061 348 HG21 VAL 59 HG21 VAL 59 -8.403 1.616 1.053 349 HG22 VAL 59 HG22 VAL 59 -7.308 2.971 1.329 350 HG23 VAL 59 HG23 VAL 59 -8.189 2.848 -0.193 351 H ALA 60 HN ALA 60 -6.958 5.482 0.087 352 HA ALA 60 HA ALA 60 -5.574 6.871 2.105 353 HB1 ALA 60 HB1 ALA 60 -4.691 4.015 1.731 354 HB2 ALA 60 HB2 ALA 60 -5.476 4.683 3.157 355 HB3 ALA 60 HB3 ALA 60 -3.872 5.243 2.701 356 H ILE 61 HN ILE 61 -3.911 7.932 1.275 357 HA ILE 61 HA ILE 61 -2.633 6.889 -1.174 358 HB ILE 61 HB ILE 61 -2.495 9.722 -0.084 359 HG12 ILE 61 HG12 ILE 61 -3.655 10.151 -2.399 360 HG13 ILE 61 HG11 ILE 61 -4.176 8.480 -2.237 361 HG21 ILE 61 HG21 ILE 61 -1.501 8.669 -2.723 362 HG22 ILE 61 HG22 ILE 61 -0.487 8.854 -1.295 363 HG23 ILE 61 HG23 ILE 61 -1.238 10.273 -2.033 364 HD11 ILE 61 HD11 ILE 61 -4.774 10.759 -0.374 365 HD12 ILE 61 HD12 ILE 61 -5.170 9.075 -0.049 366 HD13 ILE 61 HD13 ILE 61 -5.904 9.899 -1.423 367 H CYS 62 HN CYS 62 -0.707 5.875 -0.713 368 HA CYS 62 HA CYS 62 0.577 6.654 1.817 369 HB2 CYS 62 HB2 CYS 62 -0.995 4.625 1.996 370 HB3 CYS 62 HB1 CYS 62 0.215 3.763 1.047 371 H LYS 63 HN LYS 63 2.789 6.231 1.960 372 HA LYS 63 HA LYS 63 4.099 5.024 -0.352 373 HB2 LYS 63 HB2 LYS 63 5.617 6.868 -0.667 374 HB3 LYS 63 HB1 LYS 63 3.972 7.472 -0.802 375 HG2 LYS 63 HG2 LYS 63 4.109 8.316 1.497 376 HG3 LYS 63 HG1 LYS 63 5.774 7.742 1.592 377 HD2 LYS 63 HD2 LYS 63 6.059 9.967 1.018 378 HD3 LYS 63 HD1 LYS 63 6.119 9.148 -0.547 379 HE2 LYS 63 HE2 LYS 63 3.850 9.741 -1.019 380 HE3 LYS 63 HE1 LYS 63 3.636 10.405 0.601 381 HZ1 LYS 63 HZ1 LYS 63 5.527 11.454 -1.430 382 HZ2 LYS 63 HZ2 LYS 63 5.233 12.117 0.101 383 HZ3 LYS 63 HZ3 LYS 63 4.011 12.129 -1.077 384 H ASN 64 HN ASN 64 6.459 4.671 0.126 385 HA ASN 64 HA ASN 64 6.661 3.569 2.773 386 HB2 ASN 64 HB2 ASN 64 7.574 2.324 0.894 387 HB3 ASN 64 HB1 ASN 64 8.658 3.655 0.504 388 HD21 ASN 64 HD21 ASN 64 10.519 3.926 1.645 389 HD22 ASN 64 HD22 ASN 64 11.097 2.760 2.799 390 H ALA 65 HN ALA 65 7.893 4.238 4.440 391 HA ALA 65 HA ALA 65 8.177 6.835 5.088 392 HB1 ALA 65 HB1 ALA 65 10.156 4.736 5.953 393 HB2 ALA 65 HB2 ALA 65 8.523 4.886 6.597 394 HB3 ALA 65 HB3 ALA 65 9.684 6.190 6.833 395 H SER 66 HN SER 66 10.928 4.911 3.926 396 HA SER 66 HA SER 66 12.408 7.364 3.397 397 HB2 SER 66 HB2 SER 66 13.629 5.651 4.604 398 HB3 SER 66 HB1 SER 66 13.221 4.442 3.390 399 HG SER 66 HG SER 66 14.907 6.715 3.069 400 HA PRO 67 HA PRO 67 11.653 6.966 -1.019 401 HB2 PRO 67 HB2 PRO 67 13.495 8.769 -1.839 402 HB3 PRO 67 HB1 PRO 67 11.950 9.252 -1.127 403 HG2 PRO 67 HG2 PRO 67 14.653 9.084 0.151 404 HG3 PRO 67 HG1 PRO 67 13.415 10.345 0.308 405 HD2 PRO 67 HD2 PRO 67 13.789 8.403 2.173 406 HD3 PRO 67 HD1 PRO 67 12.207 9.142 1.853 407 H VAL 68 HN VAL 68 14.266 5.973 0.781 408 HA VAL 68 HA VAL 68 15.768 4.987 -1.539 409 HB VAL 68 HB VAL 68 16.629 4.853 1.343 410 HG11 VAL 68 HG11 VAL 68 18.389 4.890 -1.075 411 HG12 VAL 68 HG12 VAL 68 17.627 3.401 -0.529 412 HG13 VAL 68 HG13 VAL 68 18.730 4.269 0.544 413 HG21 VAL 68 HG21 VAL 68 18.015 6.832 0.891 414 HG22 VAL 68 HG22 VAL 68 16.293 7.193 0.779 415 HG23 VAL 68 HG23 VAL 68 17.252 6.995 -0.689 416 H HIS 69 HN HIS 69 15.386 3.620 1.716 417 HA HIS 69 HA HIS 69 14.782 1.074 0.385 418 HB2 HIS 69 HB2 HIS 69 15.641 -0.039 2.453 419 HB3 HIS 69 HB1 HIS 69 16.845 0.843 1.536 420 HD1 HIS 69 HD1 HIS 69 15.595 0.385 4.885 421 HD2 HIS 69 HD2 HIS 69 17.432 3.476 2.784 422 HE1 HIS 69 HE1 HIS 69 16.523 1.944 6.631 423 HE2 HIS 69 HE2 HIS 69 17.728 3.742 5.340 424 H CYS 70 HN CYS 70 13.603 -0.497 1.851 425 HA CYS 70 HA CYS 70 11.075 0.878 2.328 426 HB2 CYS 70 HB2 CYS 70 10.280 -1.605 2.269 427 HB3 CYS 70 HB1 CYS 70 10.780 -0.817 0.775 428 HG CYS 70 HG CYS 70 12.107 -3.453 2.338 429 H ASN 71 HN ASN 71 10.193 1.123 4.239 430 HA ASN 71 HA ASN 71 11.153 -0.514 6.496 431 HB2 ASN 71 HB2 ASN 71 10.593 2.460 6.657 432 HB3 ASN 71 HB1 ASN 71 11.172 1.428 7.956 433 HD21 ASN 71 HD21 ASN 71 12.297 3.854 6.819 434 HD22 ASN 71 HD22 ASN 71 13.897 3.443 6.304 435 H TYR 72 HN TYR 72 8.941 2.216 6.455 436 HA TYR 72 HA TYR 72 6.675 0.418 6.987 437 HB2 TYR 72 HB2 TYR 72 7.199 3.036 8.423 438 HB3 TYR 72 HB1 TYR 72 5.861 1.930 8.715 439 HD1 TYR 72 HD2 TYR 72 6.398 -0.376 9.642 440 HD2 TYR 72 HD1 TYR 72 9.232 2.791 9.562 441 HE1 TYR 72 HE2 TYR 72 7.739 -1.539 11.340 442 HE2 TYR 72 HE1 TYR 72 10.583 1.636 11.258 443 HH TYR 72 HH TYR 72 10.089 -1.608 12.096 444 H LEU 73 HN LEU 73 4.576 1.867 6.889 445 HA LEU 73 HA LEU 73 4.827 3.373 4.380 446 HB2 LEU 73 HB2 LEU 73 2.512 1.781 5.466 447 HB3 LEU 73 HB1 LEU 73 2.428 2.779 4.028 448 HG LEU 73 HG LEU 73 4.005 0.249 4.433 449 HD11 LEU 73 HD11 LEU 73 2.739 -0.442 2.420 450 HD12 LEU 73 HD12 LEU 73 1.840 1.078 2.500 451 HD13 LEU 73 HD13 LEU 73 1.712 -0.100 3.811 452 HD21 LEU 73 HD21 LEU 73 5.524 1.670 3.303 453 HD22 LEU 73 HD22 LEU 73 4.256 2.320 2.266 454 HD23 LEU 73 HD23 LEU 73 4.788 0.649 2.066 455 H LYS 74 HN LYS 74 4.331 5.421 4.341 456 HA LYS 74 HA LYS 74 2.804 6.601 6.560 457 HB2 LYS 74 HB2 LYS 74 4.894 7.650 4.699 458 HB3 LYS 74 HB1 LYS 74 3.685 8.770 5.306 459 HG2 LYS 74 HG2 LYS 74 5.660 8.860 6.675 460 HG3 LYS 74 HG1 LYS 74 4.319 8.191 7.603 461 HD2 LYS 74 HD2 LYS 74 5.195 5.924 7.155 462 HD3 LYS 74 HD1 LYS 74 6.575 6.650 6.326 463 HE2 LYS 74 HE2 LYS 74 7.152 6.056 8.616 464 HE3 LYS 74 HE1 LYS 74 7.208 7.802 8.387 465 HZ1 LYS 74 HZ1 LYS 74 5.041 7.980 9.434 466 HZ2 LYS 74 HZ2 LYS 74 6.134 7.198 10.469 467 HZ3 LYS 74 HZ3 LYS 74 4.969 6.295 9.628 468 H CYS 75 HN CYS 75 0.708 6.682 6.107 469 HA CYS 75 HA CYS 75 -0.094 7.226 3.323 470 HB2 CYS 75 HB2 CYS 75 -1.966 6.009 5.304 471 HB3 CYS 75 HB1 CYS 75 -1.878 5.784 3.561 472 H THR 76 HN THR 76 -1.834 8.625 2.935 473 HA THR 76 HA THR 76 -2.784 10.183 5.246 474 HB THR 76 HB THR 76 -1.218 11.536 3.874 475 HG1 THR 76 HG1 THR 76 -2.690 12.833 4.811 476 HG21 THR 76 HG21 THR 76 -3.253 11.101 1.689 477 HG22 THR 76 HG22 THR 76 -1.588 10.516 1.699 478 HG23 THR 76 HG23 THR 76 -1.914 12.248 1.618 479 H ASN 77 HN ASN 77 -4.925 11.148 4.918 480 HA ASN 77 HA ASN 77 -7.139 11.000 4.476 481 HB2 ASN 77 HB2 ASN 77 -6.058 10.126 1.807 482 HB3 ASN 77 HB1 ASN 77 -7.788 10.216 2.116 483 HD21 ASN 77 HD21 ASN 77 -4.856 12.005 1.683 484 HD22 ASN 77 HD22 ASN 77 -5.585 13.564 1.536 485 H LEU 78 HN LEU 78 -6.020 8.930 5.924 486 HA LEU 78 HA LEU 78 -6.719 6.352 5.054 487 HB2 LEU 78 HB2 LEU 78 -6.424 7.501 7.828 488 HB3 LEU 78 HB1 LEU 78 -6.682 5.795 7.513 489 HG LEU 78 HG LEU 78 -4.314 7.383 6.521 490 HD11 LEU 78 HD11 LEU 78 -4.537 5.438 8.811 491 HD12 LEU 78 HD12 LEU 78 -4.287 7.179 8.946 492 HD13 LEU 78 HD13 LEU 78 -3.044 6.163 8.216 493 HD21 LEU 78 HD21 LEU 78 -3.389 5.201 5.958 494 HD22 LEU 78 HD22 LEU 78 -4.906 5.480 5.101 495 HD23 LEU 78 HD23 LEU 78 -4.872 4.420 6.510 496 H ALA 79 HN ALA 79 -8.551 5.201 5.118 497 HA ALA 79 HA ALA 79 -11.001 6.663 5.724 498 HB1 ALA 79 HB1 ALA 79 -10.740 3.951 4.437 499 HB2 ALA 79 HB2 ALA 79 -10.691 5.470 3.547 500 HB3 ALA 79 HB3 ALA 79 -12.147 5.017 4.432 501 H ALA 80 HN ALA 80 -9.534 5.939 7.954 502 HA ALA 80 HA ALA 80 -9.819 5.143 10.051 503 HB1 ALA 80 HB1 ALA 80 -12.026 4.569 10.811 504 HB2 ALA 80 HB2 ALA 80 -12.576 4.344 9.150 505 HB3 ALA 80 HB3 ALA 80 -12.126 5.953 9.721 506 H GLY 81 HN GLY 81 -11.995 2.728 8.687 507 HA2 GLY 81 HA2 GLY 81 -10.510 0.578 9.827 508 HA3 GLY 81 HA1 GLY 81 -11.876 0.429 8.729 509 H PHE 82 HN PHE 82 -10.332 2.279 6.871 510 HA PHE 82 HA PHE 82 -8.707 0.193 5.626 511 HB2 PHE 82 HB2 PHE 82 -9.697 2.851 4.586 512 HB3 PHE 82 HB1 PHE 82 -8.680 1.748 3.672 513 HD1 PHE 82 HD1 PHE 82 -12.018 2.367 4.993 514 HD2 PHE 82 HD2 PHE 82 -9.570 -0.313 2.774 515 HE1 PHE 82 HE1 PHE 82 -14.029 1.210 4.167 516 HE2 PHE 82 HE2 PHE 82 -11.575 -1.468 1.942 517 HZ PHE 82 HZ PHE 82 -13.809 -0.707 2.639 518 H SER 83 HN SER 83 -6.696 0.153 6.316 519 HA SER 83 HA SER 83 -5.119 2.621 6.189 520 HB2 SER 83 HB2 SER 83 -4.883 0.631 8.464 521 HB3 SER 83 HB1 SER 83 -4.020 2.158 8.293 522 HG SER 83 HG SER 83 -6.611 2.682 8.129 523 H ALA 84 HN ALA 84 -2.701 1.970 6.209 524 HA ALA 84 HA ALA 84 -2.498 -0.448 4.557 525 HB1 ALA 84 HB1 ALA 84 -0.466 0.494 3.615 526 HB2 ALA 84 HB2 ALA 84 -0.575 1.871 4.707 527 HB3 ALA 84 HB3 ALA 84 -1.799 1.638 3.460 528 H GLY 85 HN GLY 85 -0.461 -1.681 4.751 529 HA2 GLY 85 HA2 GLY 85 0.232 -1.891 7.619 530 HA3 GLY 85 HA1 GLY 85 -0.010 -3.282 6.573 531 H THR 86 HN THR 86 1.615 -3.910 5.173 532 HA THR 86 HA THR 86 4.183 -2.518 5.384 533 HB THR 86 HB THR 86 4.039 -4.259 7.187 534 HG1 THR 86 HG1 THR 86 6.089 -5.064 6.795 535 HG21 THR 86 HG21 THR 86 2.653 -5.895 6.035 536 HG22 THR 86 HG22 THR 86 4.175 -6.628 6.544 537 HG23 THR 86 HG23 THR 86 3.936 -6.176 4.857 538 H SER 87 HN SER 87 5.752 -4.363 4.059 539 HA SER 87 HA SER 87 4.351 -4.952 1.549 540 HB2 SER 87 HB2 SER 87 7.032 -3.558 1.755 541 HB3 SER 87 HB1 SER 87 6.248 -4.062 0.258 542 HG SER 87 HG SER 87 4.792 -2.450 2.000 543 H THR 88 HN THR 88 5.197 -6.730 0.388 544 HA THR 88 HA THR 88 7.233 -8.342 1.766 545 HB THR 88 HB THR 88 5.806 -10.346 1.576 546 HG1 THR 88 HG1 THR 88 4.137 -10.063 0.286 547 HG21 THR 88 HG21 THR 88 4.749 -8.088 3.269 548 HG22 THR 88 HG22 THR 88 5.937 -9.306 3.732 549 HG23 THR 88 HG23 THR 88 4.257 -9.769 3.458 550 H ASP 89 HN ASP 89 6.742 -10.661 0.275 551 HA ASP 89 HA ASP 89 7.109 -11.745 -1.649 552 HB2 ASP 89 HB2 ASP 89 5.026 -10.737 -2.374 553 HB3 ASP 89 HB1 ASP 89 5.877 -9.287 -2.898 554 H VAL 90 HN VAL 90 7.716 -8.501 -2.949 555 HA VAL 90 HA VAL 90 10.089 -9.405 -4.206 556 HB VAL 90 HB VAL 90 10.443 -6.891 -4.651 557 HG11 VAL 90 HG11 VAL 90 8.780 -6.918 -6.427 558 HG12 VAL 90 HG12 VAL 90 7.922 -8.228 -5.617 559 HG13 VAL 90 HG13 VAL 90 9.538 -8.506 -6.273 560 HG21 VAL 90 HG21 VAL 90 8.744 -6.379 -2.718 561 HG22 VAL 90 HG22 VAL 90 7.542 -6.621 -3.996 562 HG23 VAL 90 HG23 VAL 90 8.778 -5.375 -4.167 563 H LEU 91 HN LEU 91 9.394 -8.139 -1.100 564 HA LEU 91 HA LEU 91 12.107 -7.214 -0.618 565 HB2 LEU 91 HB2 LEU 91 9.846 -7.462 1.360 566 HB3 LEU 91 HB1 LEU 91 11.315 -6.522 1.546 567 HG LEU 91 HG LEU 91 8.948 -5.962 -0.204 568 HD11 LEU 91 HD11 LEU 91 10.423 -4.357 1.877 569 HD12 LEU 91 HD12 LEU 91 8.849 -5.131 2.071 570 HD13 LEU 91 HD13 LEU 91 9.041 -3.792 0.938 571 HD21 LEU 91 HD21 LEU 91 10.164 -4.276 -1.350 572 HD22 LEU 91 HD22 LEU 91 11.084 -5.784 -1.466 573 HD23 LEU 91 HD23 LEU 91 11.586 -4.526 -0.331 574 H SER 92 HN SER 92 9.913 -9.586 0.787 575 HA SER 92 HA SER 92 12.121 -10.774 2.263 576 HB2 SER 92 HB2 SER 92 10.112 -12.236 3.127 577 HB3 SER 92 HB1 SER 92 10.316 -10.575 3.680 578 HG SER 92 HG SER 92 8.549 -10.022 2.695 579 H SER 93 HN SER 93 9.986 -11.570 -0.380 580 HA SER 93 HA SER 93 10.061 -13.154 -1.985 581 HB2 SER 93 HB2 SER 93 12.740 -13.890 -0.790 582 HB3 SER 93 HB1 SER 93 12.125 -14.429 -2.355 583 HG SER 93 HG SER 93 11.991 -12.146 -2.912 584 H GLY 94 HN GLY 94 9.779 -13.807 1.206 585 HA2 GLY 94 HA2 GLY 94 9.182 -16.656 0.735 586 HA3 GLY 94 HA1 GLY 94 9.520 -15.949 2.312 587 H THR 95 HN THR 95 7.567 -14.243 0.080 588 HA THR 95 HA THR 95 5.124 -15.004 1.518 589 HB THR 95 HB THR 95 4.563 -12.448 0.951 590 HG1 THR 95 HG1 THR 95 7.243 -12.183 1.782 591 HG21 THR 95 HG21 THR 95 6.237 -12.997 3.366 592 HG22 THR 95 HG22 THR 95 4.652 -13.744 3.189 593 HG23 THR 95 HG23 THR 95 4.801 -11.986 3.222 594 H VAL 96 HN VAL 96 3.135 -14.384 0.240 595 HA VAL 96 HA VAL 96 3.640 -14.948 -2.588 596 HB VAL 96 HB VAL 96 1.024 -15.086 -1.080 597 HG11 VAL 96 HG11 VAL 96 1.794 -16.103 -3.815 598 HG12 VAL 96 HG12 VAL 96 0.712 -14.755 -3.469 599 HG13 VAL 96 HG13 VAL 96 0.250 -16.394 -3.011 600 HG21 VAL 96 HG21 VAL 96 1.336 -17.523 -1.130 601 HG22 VAL 96 HG22 VAL 96 2.597 -16.715 -0.199 602 HG23 VAL 96 HG23 VAL 96 2.939 -17.294 -1.829 603 H GLY 97 HN GLY 97 3.959 -13.084 -3.659 604 HA2 GLY 97 HA2 GLY 97 2.616 -10.642 -3.125 605 HA3 GLY 97 HA1 GLY 97 3.511 -11.032 -4.590 606 H SER 98 HN SER 98 0.917 -9.644 -4.174 607 HA SER 98 HA SER 98 -1.023 -11.517 -5.264 608 HB2 SER 98 HB2 SER 98 -1.494 -9.834 -3.369 609 HB3 SER 98 HB1 SER 98 -1.522 -8.609 -4.635 610 HG SER 98 HG SER 98 -3.039 -10.821 -5.221 Start of MODEL 9 1 H1 SER 19 HT1 SER 19 20.905 -1.562 -1.508 2 H2 SER 19 HT2 SER 19 19.784 -1.334 -2.759 3 H3 SER 19 HT3 SER 19 19.246 -1.747 -1.206 4 HA SER 19 HA SER 19 20.071 0.340 -0.339 5 HB2 SER 19 HB2 SER 19 21.849 0.579 -2.117 6 HB3 SER 19 HB1 SER 19 20.576 1.071 -3.233 7 HG SER 19 HG SER 19 20.842 2.999 -2.451 8 H PHE 20 HN PHE 20 18.734 0.682 -3.640 9 HA PHE 20 HA PHE 20 16.325 1.830 -2.498 10 HB2 PHE 20 HB2 PHE 20 15.663 2.276 -4.835 11 HB3 PHE 20 HB1 PHE 20 17.239 2.951 -4.454 12 HD1 PHE 20 HD2 PHE 20 19.277 1.936 -5.380 13 HD2 PHE 20 HD1 PHE 20 15.399 0.564 -6.467 14 HE1 PHE 20 HE2 PHE 20 20.235 0.788 -7.333 15 HE2 PHE 20 HE1 PHE 20 16.348 -0.591 -8.419 16 HZ PHE 20 HZ PHE 20 18.768 -0.478 -8.855 17 H VAL 21 HN VAL 21 14.280 0.946 -2.734 18 HA VAL 21 HA VAL 21 14.137 -1.809 -3.652 19 HB VAL 21 HB VAL 21 14.825 -2.225 -1.445 20 HG11 VAL 21 HG11 VAL 21 12.783 -0.235 -0.480 21 HG12 VAL 21 HG12 VAL 21 14.507 0.080 -0.657 22 HG13 VAL 21 HG13 VAL 21 13.947 -1.121 0.507 23 HG21 VAL 21 HG21 VAL 21 12.790 -3.490 -2.157 24 HG22 VAL 21 HG22 VAL 21 11.823 -2.311 -1.267 25 HG23 VAL 21 HG23 VAL 21 12.974 -3.332 -0.409 26 H GLN 22 HN GLN 22 12.204 -2.389 -4.414 27 HA GLN 22 HA GLN 22 9.977 -0.498 -4.155 28 HB2 GLN 22 HB2 GLN 22 8.994 -1.680 -6.080 29 HB3 GLN 22 HB1 GLN 22 10.586 -1.032 -6.456 30 HG2 GLN 22 HG2 GLN 22 11.573 -3.137 -6.482 31 HG3 GLN 22 HG1 GLN 22 10.257 -3.866 -5.560 32 HE21 GLN 22 HE21 GLN 22 8.382 -4.434 -6.583 33 HE22 GLN 22 HE22 GLN 22 8.231 -4.537 -8.306 34 H CYS 23 HN CYS 23 7.881 -1.297 -3.595 35 HA CYS 23 HA CYS 23 7.721 -4.021 -2.617 36 HB2 CYS 23 HB2 CYS 23 6.889 -3.087 -0.357 37 HB3 CYS 23 HB1 CYS 23 8.621 -3.144 -0.656 38 HG CYS 23 HG CYS 23 8.583 -0.780 0.487 39 H ASN 24 HN ASN 24 5.720 -4.847 -2.753 40 HA ASN 24 HA ASN 24 3.557 -3.179 -3.662 41 HB2 ASN 24 HB2 ASN 24 2.369 -5.560 -2.960 42 HB3 ASN 24 HB1 ASN 24 3.004 -5.178 -4.554 43 HD21 ASN 24 HD21 ASN 24 3.831 -7.027 -5.236 44 HD22 ASN 24 HD22 ASN 24 4.983 -7.995 -4.382 45 H HIS 25 HN HIS 25 2.626 -1.860 -2.339 46 HA HIS 25 HA HIS 25 2.864 -2.129 0.501 47 HB2 HIS 25 HB2 HIS 25 1.398 -0.156 -1.242 48 HB3 HIS 25 HB1 HIS 25 1.413 -0.061 0.510 49 HD1 HIS 25 HD1 HIS 25 4.354 -0.658 -1.864 50 HD2 HIS 25 HD2 HIS 25 3.021 2.023 1.020 51 HE1 HIS 25 HE1 HIS 25 6.214 0.997 -1.566 52 HE2 HIS 25 HE2 HIS 25 5.464 2.476 0.319 53 H HIS 26 HN HIS 26 1.554 -3.205 1.780 54 HA HIS 26 HA HIS 26 -0.912 -4.294 0.749 55 HB2 HIS 26 HB2 HIS 26 0.628 -4.630 3.300 56 HB3 HIS 26 HB1 HIS 26 -1.041 -5.178 3.199 57 HD1 HIS 26 HD1 HIS 26 0.097 -7.572 3.643 58 HD2 HIS 26 HD2 HIS 26 0.848 -5.811 -0.056 59 HE1 HIS 26 HE1 HIS 26 0.879 -9.433 2.145 60 HE2 HIS 26 HE2 HIS 26 1.378 -8.348 -0.075 61 H LEU 27 HN LEU 27 -2.821 -3.381 0.910 62 HA LEU 27 HA LEU 27 -3.278 -1.371 2.999 63 HB2 LEU 27 HB2 LEU 27 -3.952 -1.117 0.479 64 HB3 LEU 27 HB1 LEU 27 -5.273 -2.202 0.895 65 HG LEU 27 HG LEU 27 -5.948 0.176 0.915 66 HD11 LEU 27 HD11 LEU 27 -7.091 0.177 3.034 67 HD12 LEU 27 HD12 LEU 27 -5.966 -1.023 3.675 68 HD13 LEU 27 HD13 LEU 27 -7.081 -1.463 2.377 69 HD21 LEU 27 HD21 LEU 27 -3.828 1.152 1.598 70 HD22 LEU 27 HD22 LEU 27 -3.989 0.412 3.190 71 HD23 LEU 27 HD23 LEU 27 -5.130 1.656 2.677 72 H LEU 28 HN LEU 28 -4.237 -1.998 4.804 73 HA LEU 28 HA LEU 28 -5.190 -4.759 4.907 74 HB2 LEU 28 HB2 LEU 28 -3.443 -3.239 6.540 75 HB3 LEU 28 HB1 LEU 28 -4.861 -3.618 7.495 76 HG LEU 28 HG LEU 28 -3.235 -5.330 7.867 77 HD11 LEU 28 HD11 LEU 28 -5.226 -6.499 5.948 78 HD12 LEU 28 HD12 LEU 28 -5.651 -5.972 7.572 79 HD13 LEU 28 HD13 LEU 28 -4.480 -7.273 7.346 80 HD21 LEU 28 HD21 LEU 28 -1.870 -5.007 5.901 81 HD22 LEU 28 HD22 LEU 28 -3.167 -5.615 4.873 82 HD23 LEU 28 HD23 LEU 28 -2.363 -6.698 6.010 83 H TYR 29 HN TYR 29 -7.217 -5.138 5.120 84 HA TYR 29 HA TYR 29 -9.032 -3.066 6.132 85 HB2 TYR 29 HB2 TYR 29 -9.574 -4.007 3.922 86 HB3 TYR 29 HB1 TYR 29 -9.557 -5.630 4.600 87 HD1 TYR 29 HD1 TYR 29 -11.269 -2.346 5.098 88 HD2 TYR 29 HD2 TYR 29 -11.571 -6.588 5.185 89 HE1 TYR 29 HE1 TYR 29 -13.675 -2.162 5.570 90 HE2 TYR 29 HE2 TYR 29 -13.976 -6.415 5.664 91 HH TYR 29 HH TYR 29 -15.548 -4.777 6.630 92 H ASN 30 HN ASN 30 -10.449 -3.596 7.854 93 HA ASN 30 HA ASN 30 -9.405 -5.188 9.889 94 HB2 ASN 30 HB2 ASN 30 -12.258 -4.269 9.470 95 HB3 ASN 30 HB1 ASN 30 -11.650 -4.975 10.963 96 HD21 ASN 30 HD21 ASN 30 -9.050 -3.621 10.698 97 HD22 ASN 30 HD22 ASN 30 -9.350 -1.972 11.133 98 H GLY 31 HN GLY 31 -8.987 -7.274 9.502 99 HA2 GLY 31 HA2 GLY 31 -10.434 -9.412 9.701 100 HA3 GLY 31 HA1 GLY 31 -11.018 -8.882 8.130 101 H ARG 32 HN ARG 32 -8.874 -8.146 6.718 102 HA ARG 32 HA ARG 32 -6.686 -9.954 6.931 103 HB2 ARG 32 HB2 ARG 32 -8.809 -11.342 6.200 104 HB3 ARG 32 HB1 ARG 32 -8.464 -10.648 4.623 105 HG2 ARG 32 HG2 ARG 32 -7.452 -12.808 4.752 106 HG3 ARG 32 HG1 ARG 32 -6.172 -11.590 4.772 107 HD2 ARG 32 HD2 ARG 32 -6.000 -11.788 7.190 108 HD3 ARG 32 HD1 ARG 32 -7.319 -12.958 7.202 109 HE ARG 32 HE ARG 32 -4.944 -13.611 5.636 110 HH11 ARG 32 HH11 ARG 32 -6.881 -14.129 8.518 111 HH12 ARG 32 HH12 ARG 32 -6.044 -15.590 8.952 112 HH21 ARG 32 HH21 ARG 32 -3.854 -15.525 6.220 113 HH22 ARG 32 HH22 ARG 32 -4.328 -16.376 7.663 114 H HIS 33 HN HIS 33 -5.351 -9.965 4.931 115 HA HIS 33 HA HIS 33 -4.740 -7.622 3.691 116 HB2 HIS 33 HB2 HIS 33 -3.321 -9.507 3.444 117 HB3 HIS 33 HB1 HIS 33 -4.602 -10.487 2.752 118 HD1 HIS 33 HD1 HIS 33 -5.108 -10.155 0.211 119 HD2 HIS 33 HD2 HIS 33 -1.850 -7.995 1.636 120 HE1 HIS 33 HE1 HIS 33 -3.811 -9.458 -1.825 121 HE2 HIS 33 HE2 HIS 33 -1.681 -8.470 -0.907 122 H TRP 34 HN TRP 34 -6.018 -6.246 2.602 123 HA TRP 34 HA TRP 34 -8.364 -7.280 1.217 124 HB2 TRP 34 HB2 TRP 34 -8.472 -5.260 2.716 125 HB3 TRP 34 HB1 TRP 34 -7.504 -4.398 1.524 126 HD1 TRP 34 HD1 TRP 34 -11.003 -5.904 2.012 127 HE1 TRP 34 HE1 TRP 34 -12.601 -4.879 0.266 128 HE3 TRP 34 HE3 TRP 34 -7.595 -3.265 -0.745 129 HZ2 TRP 34 HZ2 TRP 34 -12.423 -3.173 -1.976 130 HZ3 TRP 34 HZ3 TRP 34 -8.393 -1.963 -2.672 131 HH2 TRP 34 HH2 TRP 34 -10.756 -1.919 -3.273 132 H GLY 35 HN GLY 35 -5.652 -5.101 0.422 133 HA2 GLY 35 HA2 GLY 35 -5.406 -6.283 -2.203 134 HA3 GLY 35 HA1 GLY 35 -6.049 -4.646 -2.217 135 H THR 36 HN THR 36 -3.724 -5.059 -3.523 136 HA THR 36 HA THR 36 -1.891 -3.462 -1.972 137 HB THR 36 HB THR 36 -1.328 -5.780 -1.309 138 HG1 THR 36 HG1 THR 36 0.266 -4.006 -1.586 139 HG21 THR 36 HG21 THR 36 -0.447 -6.138 -4.163 140 HG22 THR 36 HG22 THR 36 -1.948 -6.797 -3.518 141 HG23 THR 36 HG23 THR 36 -0.398 -7.330 -2.867 142 H ILE 37 HN ILE 37 -0.409 -2.342 -3.206 143 HA ILE 37 HA ILE 37 -0.426 -2.798 -6.106 144 HB ILE 37 HB ILE 37 -0.367 -0.091 -4.741 145 HG12 ILE 37 HG12 ILE 37 -2.399 0.291 -6.279 146 HG13 ILE 37 HG11 ILE 37 -2.466 -1.465 -6.414 147 HG21 ILE 37 HG21 ILE 37 -0.133 -0.783 -7.665 148 HG22 ILE 37 HG22 ILE 37 1.135 -0.117 -6.636 149 HG23 ILE 37 HG23 ILE 37 -0.293 0.849 -7.014 150 HD11 ILE 37 HD11 ILE 37 -2.776 -1.645 -4.010 151 HD12 ILE 37 HD12 ILE 37 -4.005 -0.606 -4.729 152 HD13 ILE 37 HD13 ILE 37 -2.652 0.107 -3.855 153 H ARG 38 HN ARG 38 1.576 -3.040 -6.952 154 HA ARG 38 HA ARG 38 3.808 -2.903 -5.102 155 HB2 ARG 38 HB2 ARG 38 3.379 -4.892 -6.601 156 HB3 ARG 38 HB1 ARG 38 3.843 -3.877 -7.962 157 HG2 ARG 38 HG2 ARG 38 6.052 -3.728 -7.263 158 HG3 ARG 38 HG1 ARG 38 5.666 -4.245 -5.621 159 HD2 ARG 38 HD2 ARG 38 6.780 -6.035 -6.784 160 HD3 ARG 38 HD1 ARG 38 5.103 -6.481 -6.482 161 HE ARG 38 HE ARG 38 5.473 -5.314 -9.072 162 HH11 ARG 38 HH11 ARG 38 5.708 -8.299 -7.224 163 HH12 ARG 38 HH12 ARG 38 5.675 -9.313 -8.633 164 HH21 ARG 38 HH21 ARG 38 5.422 -6.675 -10.923 165 HH22 ARG 38 HH22 ARG 38 5.513 -8.399 -10.710 166 H LYS 39 HN LYS 39 4.992 -1.145 -4.935 167 HA LYS 39 HA LYS 39 5.799 0.317 -7.310 168 HB2 LYS 39 HB2 LYS 39 3.661 1.388 -6.629 169 HB3 LYS 39 HB1 LYS 39 4.352 1.715 -5.046 170 HG2 LYS 39 HG2 LYS 39 6.002 3.179 -6.021 171 HG3 LYS 39 HG1 LYS 39 5.440 2.780 -7.644 172 HD2 LYS 39 HD2 LYS 39 3.803 4.154 -5.515 173 HD3 LYS 39 HD1 LYS 39 4.604 4.961 -6.863 174 HE2 LYS 39 HE2 LYS 39 3.252 3.508 -8.402 175 HE3 LYS 39 HE1 LYS 39 2.348 2.968 -6.987 176 HZ1 LYS 39 HZ1 LYS 39 1.123 4.717 -7.957 177 HZ2 LYS 39 HZ2 LYS 39 2.486 5.706 -8.119 178 HZ3 LYS 39 HZ3 LYS 39 1.855 5.389 -6.578 179 H LYS 40 HN LYS 40 7.655 1.565 -7.002 180 HA LYS 40 HA LYS 40 9.451 0.645 -5.015 181 HB2 LYS 40 HB2 LYS 40 9.755 3.119 -6.728 182 HB3 LYS 40 HB1 LYS 40 11.041 2.179 -5.980 183 HG2 LYS 40 HG2 LYS 40 10.331 0.247 -7.408 184 HG3 LYS 40 HG1 LYS 40 9.256 1.360 -8.254 185 HD2 LYS 40 HD2 LYS 40 11.292 1.170 -9.509 186 HD3 LYS 40 HD1 LYS 40 11.232 2.776 -8.777 187 HE2 LYS 40 HE2 LYS 40 12.788 2.152 -7.090 188 HE3 LYS 40 HE1 LYS 40 12.692 0.450 -7.538 189 HZ1 LYS 40 HZ1 LYS 40 13.832 2.641 -9.198 190 HZ2 LYS 40 HZ2 LYS 40 13.699 1.021 -9.682 191 HZ3 LYS 40 HZ3 LYS 40 14.707 1.440 -8.387 192 H ALA 41 HN ALA 41 10.344 1.697 -3.237 193 HA ALA 41 HA ALA 41 8.551 3.175 -1.663 194 HB1 ALA 41 HB1 ALA 41 10.344 3.321 -0.051 195 HB2 ALA 41 HB2 ALA 41 11.527 2.890 -1.285 196 HB3 ALA 41 HB3 ALA 41 10.324 1.710 -0.766 197 H GLY 42 HN GLY 42 8.424 5.324 -1.131 198 HA2 GLY 42 HA2 GLY 42 9.369 7.545 -1.055 199 HA3 GLY 42 HA1 GLY 42 10.224 7.173 -2.547 200 H TRP 43 HN TRP 43 7.835 5.852 -3.665 201 HA TRP 43 HA TRP 43 6.492 8.287 -4.549 202 HB2 TRP 43 HB2 TRP 43 6.402 5.486 -5.690 203 HB3 TRP 43 HB1 TRP 43 5.692 6.924 -6.419 204 HD1 TRP 43 HD1 TRP 43 8.832 4.941 -6.358 205 HE1 TRP 43 HE1 TRP 43 10.704 6.174 -7.637 206 HE3 TRP 43 HE3 TRP 43 6.596 9.514 -6.843 207 HZ2 TRP 43 HZ2 TRP 43 11.154 8.753 -8.701 208 HZ3 TRP 43 HZ3 TRP 43 7.816 11.308 -8.002 209 HH2 TRP 43 HH2 TRP 43 10.046 10.934 -8.911 210 H ALA 44 HN ALA 44 4.267 8.515 -4.543 211 HA ALA 44 HA ALA 44 2.977 7.323 -2.286 212 HB1 ALA 44 HB1 ALA 44 2.626 9.670 -2.829 213 HB2 ALA 44 HB2 ALA 44 1.102 8.788 -2.882 214 HB3 ALA 44 HB3 ALA 44 1.920 9.219 -4.381 215 H VAL 45 HN VAL 45 1.578 5.669 -2.252 216 HA VAL 45 HA VAL 45 0.755 4.503 -4.826 217 HB VAL 45 HB VAL 45 0.165 2.915 -2.451 218 HG11 VAL 45 HG11 VAL 45 1.761 2.342 -4.940 219 HG12 VAL 45 HG12 VAL 45 0.036 2.051 -4.716 220 HG13 VAL 45 HG13 VAL 45 1.213 1.146 -3.765 221 HG21 VAL 45 HG21 VAL 45 2.515 2.249 -2.020 222 HG22 VAL 45 HG22 VAL 45 2.135 3.907 -1.534 223 HG23 VAL 45 HG23 VAL 45 3.040 3.607 -3.023 224 H ARG 46 HN ARG 46 -1.349 4.469 -5.358 225 HA ARG 46 HA ARG 46 -3.187 5.785 -3.555 226 HB2 ARG 46 HB2 ARG 46 -4.607 6.123 -5.369 227 HB3 ARG 46 HB1 ARG 46 -3.021 6.181 -6.118 228 HG2 ARG 46 HG2 ARG 46 -4.784 3.741 -6.094 229 HG3 ARG 46 HG1 ARG 46 -4.747 4.920 -7.402 230 HD2 ARG 46 HD2 ARG 46 -2.396 4.422 -7.804 231 HD3 ARG 46 HD1 ARG 46 -2.389 3.292 -6.448 232 HE ARG 46 HE ARG 46 -3.712 1.801 -7.707 233 HH11 ARG 46 HH11 ARG 46 -2.829 4.661 -9.528 234 HH12 ARG 46 HH12 ARG 46 -3.092 3.905 -11.069 235 HH21 ARG 46 HH21 ARG 46 -4.060 0.808 -9.739 236 HH22 ARG 46 HH22 ARG 46 -3.795 1.732 -11.196 237 H PHE 47 HN PHE 47 -4.606 4.794 -2.296 238 HA PHE 47 HA PHE 47 -5.306 2.002 -2.921 239 HB2 PHE 47 HB2 PHE 47 -5.148 3.291 -0.187 240 HB3 PHE 47 HB1 PHE 47 -5.615 1.627 -0.520 241 HD1 PHE 47 HD1 PHE 47 -3.913 0.074 -1.532 242 HD2 PHE 47 HD2 PHE 47 -2.898 3.891 0.051 243 HE1 PHE 47 HE1 PHE 47 -1.559 -0.622 -1.371 244 HE2 PHE 47 HE2 PHE 47 -0.545 3.201 0.210 245 HZ PHE 47 HZ PHE 47 0.128 0.946 -0.501 246 H TYR 48 HN TYR 48 -7.372 1.700 -3.364 247 HA TYR 48 HA TYR 48 -9.398 3.472 -2.242 248 HB2 TYR 48 HB2 TYR 48 -10.390 3.862 -4.484 249 HB3 TYR 48 HB1 TYR 48 -8.799 4.589 -4.315 250 HD1 TYR 48 HD1 TYR 48 -6.836 3.523 -5.435 251 HD2 TYR 48 HD2 TYR 48 -10.822 2.206 -6.116 252 HE1 TYR 48 HE1 TYR 48 -6.100 2.378 -7.482 253 HE2 TYR 48 HE2 TYR 48 -10.096 1.051 -8.164 254 HH TYR 48 HH TYR 48 -8.142 1.361 -9.846 255 H GLU 49 HN GLU 49 -11.494 2.615 -2.331 256 HA GLU 49 HA GLU 49 -11.454 -0.302 -2.434 257 HB2 GLU 49 HB2 GLU 49 -13.461 -0.229 -1.084 258 HB3 GLU 49 HB1 GLU 49 -12.241 0.807 -0.360 259 HG2 GLU 49 HG2 GLU 49 -13.336 2.773 -1.241 260 HG3 GLU 49 HG1 GLU 49 -14.513 1.768 -2.086 261 H GLU 50 HN GLU 50 -12.763 -1.491 -3.741 262 HA GLU 50 HA GLU 50 -14.611 0.014 -5.448 263 HB2 GLU 50 HB2 GLU 50 -14.328 -1.949 -7.064 264 HB3 GLU 50 HB1 GLU 50 -13.020 -0.785 -6.948 265 HG2 GLU 50 HG2 GLU 50 -11.757 -2.311 -5.547 266 HG3 GLU 50 HG1 GLU 50 -13.088 -3.469 -5.593 267 H LYS 51 HN LYS 51 -16.483 -0.202 -4.496 268 HA LYS 51 HA LYS 51 -17.398 -2.898 -3.742 269 HB2 LYS 51 HB2 LYS 51 -18.485 -0.198 -2.896 270 HB3 LYS 51 HB1 LYS 51 -19.049 -1.762 -2.326 271 HG2 LYS 51 HG2 LYS 51 -16.255 -0.737 -1.894 272 HG3 LYS 51 HG1 LYS 51 -17.572 -0.526 -0.740 273 HD2 LYS 51 HD2 LYS 51 -17.800 -2.925 -0.515 274 HD3 LYS 51 HD1 LYS 51 -16.573 -3.185 -1.756 275 HE2 LYS 51 HE2 LYS 51 -15.717 -3.472 0.556 276 HE3 LYS 51 HE1 LYS 51 -14.876 -2.223 -0.361 277 HZ1 LYS 51 HZ1 LYS 51 -15.848 -0.537 0.866 278 HZ2 LYS 51 HZ2 LYS 51 -15.588 -1.734 2.049 279 HZ3 LYS 51 HZ3 LYS 51 -17.135 -1.510 1.399 280 HA PRO 52 HA PRO 52 -19.625 -2.829 -7.581 281 HB2 PRO 52 HB2 PRO 52 -21.512 -4.524 -6.004 282 HB3 PRO 52 HB1 PRO 52 -20.818 -4.805 -7.605 283 HG2 PRO 52 HG2 PRO 52 -19.868 -6.105 -5.494 284 HG3 PRO 52 HG1 PRO 52 -18.770 -5.489 -6.743 285 HD2 PRO 52 HD2 PRO 52 -19.311 -4.435 -4.008 286 HD3 PRO 52 HD1 PRO 52 -17.799 -4.444 -4.937 287 H GLY 53 HN GLY 53 -20.699 -1.058 -8.123 288 HA2 GLY 53 HA2 GLY 53 -22.878 -0.021 -8.333 289 HA3 GLY 53 HA1 GLY 53 -23.170 -0.412 -6.645 290 H GLN 54 HN GLN 54 -20.393 0.402 -5.949 291 HA GLN 54 HA GLN 54 -20.921 3.297 -5.850 292 HB2 GLN 54 HB2 GLN 54 -19.161 1.587 -4.078 293 HB3 GLN 54 HB1 GLN 54 -19.428 3.312 -3.887 294 HG2 GLN 54 HG2 GLN 54 -21.834 2.841 -3.511 295 HG3 GLN 54 HG1 GLN 54 -21.459 1.118 -3.566 296 HE21 GLN 54 HE21 GLN 54 -18.857 1.573 -2.230 297 HE22 GLN 54 HE22 GLN 54 -19.226 1.830 -0.559 298 HA PRO 55 HA PRO 55 -17.337 4.059 -8.424 299 HB2 PRO 55 HB2 PRO 55 -17.152 6.558 -6.843 300 HB3 PRO 55 HB1 PRO 55 -17.286 6.338 -8.590 301 HG2 PRO 55 HG2 PRO 55 -19.361 7.223 -7.160 302 HG3 PRO 55 HG1 PRO 55 -19.595 6.103 -8.516 303 HD2 PRO 55 HD2 PRO 55 -19.591 5.545 -5.572 304 HD3 PRO 55 HD1 PRO 55 -20.654 4.898 -6.840 305 H LYS 56 HN LYS 56 -15.064 4.434 -8.171 306 HA LYS 56 HA LYS 56 -14.032 3.014 -5.918 307 HB2 LYS 56 HB2 LYS 56 -12.457 4.523 -7.993 308 HB3 LYS 56 HB1 LYS 56 -11.875 3.220 -6.983 309 HG2 LYS 56 HG2 LYS 56 -13.779 3.085 -9.298 310 HG3 LYS 56 HG1 LYS 56 -12.208 2.299 -9.117 311 HD2 LYS 56 HD2 LYS 56 -13.050 0.831 -7.450 312 HD3 LYS 56 HD1 LYS 56 -14.551 1.748 -7.340 313 HE2 LYS 56 HE2 LYS 56 -14.994 -0.248 -8.585 314 HE3 LYS 56 HE1 LYS 56 -15.031 1.115 -9.703 315 HZ1 LYS 56 HZ1 LYS 56 -13.811 -0.547 -10.774 316 HZ2 LYS 56 HZ2 LYS 56 -12.920 -0.934 -9.388 317 HZ3 LYS 56 HZ3 LYS 56 -12.631 0.526 -10.197 318 H ARG 57 HN ARG 57 -13.439 3.813 -4.023 319 HA ARG 57 HA ARG 57 -13.233 6.743 -3.774 320 HB2 ARG 57 HB2 ARG 57 -15.235 5.795 -2.705 321 HB3 ARG 57 HB1 ARG 57 -14.225 4.690 -1.781 322 HG2 ARG 57 HG2 ARG 57 -14.874 6.470 -0.350 323 HG3 ARG 57 HG1 ARG 57 -13.161 6.672 -0.716 324 HD2 ARG 57 HD2 ARG 57 -13.878 8.261 -2.552 325 HD3 ARG 57 HD1 ARG 57 -15.490 8.204 -1.841 326 HE ARG 57 HE ARG 57 -13.174 8.998 -0.213 327 HH11 ARG 57 HH11 ARG 57 -16.301 9.752 -1.621 328 HH12 ARG 57 HH12 ARG 57 -16.485 11.220 -0.706 329 HH21 ARG 57 HH21 ARG 57 -13.418 10.909 0.968 330 HH22 ARG 57 HH22 ARG 57 -14.835 11.893 0.737 331 H LEU 58 HN LEU 58 -11.366 7.544 -2.981 332 HA LEU 58 HA LEU 58 -9.151 5.897 -2.456 333 HB2 LEU 58 HB2 LEU 58 -9.749 8.792 -2.128 334 HB3 LEU 58 HB1 LEU 58 -8.346 8.141 -1.305 335 HG LEU 58 HG LEU 58 -8.850 8.050 -4.278 336 HD11 LEU 58 HD11 LEU 58 -6.869 9.622 -2.637 337 HD12 LEU 58 HD12 LEU 58 -8.272 10.276 -3.484 338 HD13 LEU 58 HD13 LEU 58 -6.939 9.574 -4.399 339 HD21 LEU 58 HD21 LEU 58 -7.643 6.103 -3.774 340 HD22 LEU 58 HD22 LEU 58 -6.677 6.915 -2.542 341 HD23 LEU 58 HD23 LEU 58 -6.414 7.277 -4.252 342 H VAL 59 HN VAL 59 -8.495 4.879 -0.716 343 HA VAL 59 HA VAL 59 -9.911 5.426 1.811 344 HB VAL 59 HB VAL 59 -9.606 3.115 2.444 345 HG11 VAL 59 HG11 VAL 59 -10.680 3.229 -0.368 346 HG12 VAL 59 HG12 VAL 59 -11.562 3.742 1.068 347 HG13 VAL 59 HG13 VAL 59 -11.093 2.054 0.881 348 HG21 VAL 59 HG21 VAL 59 -8.630 1.460 0.934 349 HG22 VAL 59 HG22 VAL 59 -7.455 2.705 1.364 350 HG23 VAL 59 HG23 VAL 59 -8.234 2.739 -0.216 351 H ALA 60 HN ALA 60 -6.896 5.319 0.218 352 HA ALA 60 HA ALA 60 -5.571 6.495 2.415 353 HB1 ALA 60 HB1 ALA 60 -4.781 3.663 1.768 354 HB2 ALA 60 HB2 ALA 60 -5.554 4.222 3.248 355 HB3 ALA 60 HB3 ALA 60 -3.922 4.754 2.858 356 H ILE 61 HN ILE 61 -3.858 7.594 1.746 357 HA ILE 61 HA ILE 61 -2.536 6.769 -0.742 358 HB ILE 61 HB ILE 61 -2.595 9.548 0.476 359 HG12 ILE 61 HG12 ILE 61 -3.678 10.022 -1.861 360 HG13 ILE 61 HG11 ILE 61 -4.080 8.308 -1.826 361 HG21 ILE 61 HG21 ILE 61 -1.518 10.053 -1.829 362 HG22 ILE 61 HG22 ILE 61 -1.123 8.330 -1.803 363 HG23 ILE 61 HG23 ILE 61 -0.525 9.386 -0.530 364 HD11 ILE 61 HD11 ILE 61 -4.964 10.450 0.085 365 HD12 ILE 61 HD12 ILE 61 -5.195 8.727 0.373 366 HD13 ILE 61 HD13 ILE 61 -5.959 9.496 -1.019 367 H CYS 62 HN CYS 62 -0.646 5.765 -0.250 368 HA CYS 62 HA CYS 62 0.669 6.642 2.236 369 HB2 CYS 62 HB2 CYS 62 -0.724 4.480 2.444 370 HB3 CYS 62 HB1 CYS 62 0.536 3.732 1.464 371 H LYS 63 HN LYS 63 2.874 6.481 2.295 372 HA LYS 63 HA LYS 63 4.263 5.304 0.033 373 HB2 LYS 63 HB2 LYS 63 5.525 7.282 -0.492 374 HB3 LYS 63 HB1 LYS 63 3.816 7.663 -0.616 375 HG2 LYS 63 HG2 LYS 63 3.986 8.622 1.709 376 HG3 LYS 63 HG1 LYS 63 5.738 8.462 1.542 377 HD2 LYS 63 HD2 LYS 63 5.287 10.660 0.855 378 HD3 LYS 63 HD1 LYS 63 5.461 9.742 -0.649 379 HE2 LYS 63 HE2 LYS 63 3.042 9.558 -0.839 380 HE3 LYS 63 HE1 LYS 63 2.840 10.422 0.685 381 HZ1 LYS 63 HZ1 LYS 63 3.959 11.506 -1.845 382 HZ2 LYS 63 HZ2 LYS 63 3.949 12.347 -0.373 383 HZ3 LYS 63 HZ3 LYS 63 2.485 11.924 -1.119 384 H ASN 64 HN ASN 64 6.647 5.340 0.456 385 HA ASN 64 HA ASN 64 6.989 4.574 3.243 386 HB2 ASN 64 HB2 ASN 64 7.668 2.924 1.634 387 HB3 ASN 64 HB1 ASN 64 8.680 4.089 0.788 388 HD21 ASN 64 HD21 ASN 64 10.647 4.652 1.620 389 HD22 ASN 64 HD22 ASN 64 11.419 3.724 2.875 390 H ALA 65 HN ALA 65 8.453 5.468 4.615 391 HA ALA 65 HA ALA 65 8.713 8.169 4.658 392 HB1 ALA 65 HB1 ALA 65 10.718 6.292 5.900 393 HB2 ALA 65 HB2 ALA 65 9.117 6.623 6.557 394 HB3 ALA 65 HB3 ALA 65 10.304 7.921 6.435 395 H SER 66 HN SER 66 11.237 5.930 3.546 396 HA SER 66 HA SER 66 12.793 8.187 2.513 397 HB2 SER 66 HB2 SER 66 14.042 6.578 3.841 398 HB3 SER 66 HB1 SER 66 13.468 5.247 2.837 399 HG SER 66 HG SER 66 15.530 7.011 2.423 400 HA PRO 67 HA PRO 67 11.498 7.153 -1.643 401 HB2 PRO 67 HB2 PRO 67 13.091 8.839 -2.981 402 HB3 PRO 67 HB1 PRO 67 11.743 9.423 -1.999 403 HG2 PRO 67 HG2 PRO 67 14.663 9.362 -1.355 404 HG3 PRO 67 HG1 PRO 67 13.465 10.625 -1.021 405 HD2 PRO 67 HD2 PRO 67 14.330 8.760 0.817 406 HD3 PRO 67 HD1 PRO 67 12.786 9.628 0.910 407 H VAL 68 HN VAL 68 14.250 6.180 -0.171 408 HA VAL 68 HA VAL 68 15.206 4.792 -2.593 409 HB VAL 68 HB VAL 68 16.975 5.448 -0.246 410 HG11 VAL 68 HG11 VAL 68 17.779 4.798 -3.063 411 HG12 VAL 68 HG12 VAL 68 17.429 3.537 -1.887 412 HG13 VAL 68 HG13 VAL 68 18.738 4.683 -1.584 413 HG21 VAL 68 HG21 VAL 68 17.940 7.256 -1.569 414 HG22 VAL 68 HG22 VAL 68 16.226 7.552 -1.272 415 HG23 VAL 68 HG23 VAL 68 16.760 6.966 -2.848 416 H HIS 69 HN HIS 69 15.418 4.604 0.961 417 HA HIS 69 HA HIS 69 15.463 1.679 0.757 418 HB2 HIS 69 HB2 HIS 69 15.808 3.350 3.241 419 HB3 HIS 69 HB1 HIS 69 16.195 1.654 3.046 420 HD1 HIS 69 HD1 HIS 69 18.474 1.062 2.221 421 HD2 HIS 69 HD2 HIS 69 17.665 5.126 1.945 422 HE1 HIS 69 HE1 HIS 69 20.668 2.152 1.643 423 HE2 HIS 69 HE2 HIS 69 20.194 4.626 1.740 424 H CYS 70 HN CYS 70 14.085 0.420 2.143 425 HA CYS 70 HA CYS 70 11.483 1.704 2.554 426 HB2 CYS 70 HB2 CYS 70 11.647 -0.387 1.155 427 HB3 CYS 70 HB1 CYS 70 12.125 -1.254 2.609 428 HG CYS 70 HG CYS 70 9.606 -0.296 3.874 429 H ASN 71 HN ASN 71 10.859 2.226 4.538 430 HA ASN 71 HA ASN 71 12.205 0.920 6.817 431 HB2 ASN 71 HB2 ASN 71 11.207 3.783 6.714 432 HB3 ASN 71 HB1 ASN 71 12.024 3.018 8.070 433 HD21 ASN 71 HD21 ASN 71 12.766 5.409 6.685 434 HD22 ASN 71 HD22 ASN 71 14.345 5.147 6.012 435 H TYR 72 HN TYR 72 9.533 3.211 6.648 436 HA TYR 72 HA TYR 72 7.648 1.122 7.469 437 HB2 TYR 72 HB2 TYR 72 7.743 3.883 8.711 438 HB3 TYR 72 HB1 TYR 72 6.628 2.589 9.117 439 HD1 TYR 72 HD2 TYR 72 7.596 0.469 10.172 440 HD2 TYR 72 HD1 TYR 72 9.778 4.102 9.838 441 HE1 TYR 72 HE2 TYR 72 9.127 -0.296 11.941 442 HE2 TYR 72 HE1 TYR 72 11.318 3.349 11.597 443 HH TYR 72 HH TYR 72 11.274 1.766 13.525 444 H LEU 73 HN LEU 73 5.332 2.131 7.332 445 HA LEU 73 HA LEU 73 5.225 3.534 4.752 446 HB2 LEU 73 HB2 LEU 73 3.227 1.766 6.146 447 HB3 LEU 73 HB1 LEU 73 2.806 2.749 4.759 448 HG LEU 73 HG LEU 73 4.572 0.337 4.893 449 HD11 LEU 73 HD11 LEU 73 3.188 -0.277 2.922 450 HD12 LEU 73 HD12 LEU 73 2.252 1.206 3.164 451 HD13 LEU 73 HD13 LEU 73 2.262 -0.053 4.406 452 HD21 LEU 73 HD21 LEU 73 5.952 1.934 3.749 453 HD22 LEU 73 HD22 LEU 73 4.598 2.462 2.754 454 HD23 LEU 73 HD23 LEU 73 5.260 0.840 2.551 455 H LYS 74 HN LYS 74 4.727 5.585 4.758 456 HA LYS 74 HA LYS 74 3.255 6.701 7.044 457 HB2 LYS 74 HB2 LYS 74 4.686 8.185 4.825 458 HB3 LYS 74 HB1 LYS 74 4.061 8.869 6.317 459 HG2 LYS 74 HG2 LYS 74 6.280 6.841 6.211 460 HG3 LYS 74 HG1 LYS 74 6.545 8.580 6.200 461 HD2 LYS 74 HD2 LYS 74 6.825 7.981 8.437 462 HD3 LYS 74 HD1 LYS 74 5.178 8.607 8.376 463 HE2 LYS 74 HE2 LYS 74 4.273 6.387 8.367 464 HE3 LYS 74 HE1 LYS 74 5.878 5.681 8.200 465 HZ1 LYS 74 HZ1 LYS 74 6.443 6.489 10.388 466 HZ2 LYS 74 HZ2 LYS 74 5.036 5.543 10.471 467 HZ3 LYS 74 HZ3 LYS 74 4.926 7.233 10.548 468 H CYS 75 HN CYS 75 1.130 6.473 6.655 469 HA CYS 75 HA CYS 75 0.139 6.947 3.928 470 HB2 CYS 75 HB2 CYS 75 -1.393 5.700 6.200 471 HB3 CYS 75 HB1 CYS 75 -1.729 5.597 4.477 472 H THR 76 HN THR 76 -1.766 8.227 3.627 473 HA THR 76 HA THR 76 -2.736 9.669 5.965 474 HB THR 76 HB THR 76 -1.000 11.104 4.868 475 HG1 THR 76 HG1 THR 76 -2.195 12.644 5.660 476 HG21 THR 76 HG21 THR 76 -2.985 11.144 2.594 477 HG22 THR 76 HG22 THR 76 -1.361 10.459 2.547 478 HG23 THR 76 HG23 THR 76 -1.579 12.198 2.740 479 H ASN 77 HN ASN 77 -4.744 10.930 5.400 480 HA ASN 77 HA ASN 77 -6.937 10.825 4.864 481 HB2 ASN 77 HB2 ASN 77 -5.700 10.195 2.185 482 HB3 ASN 77 HB1 ASN 77 -7.431 10.440 2.401 483 HD21 ASN 77 HD21 ASN 77 -5.594 11.996 0.809 484 HD22 ASN 77 HD22 ASN 77 -5.644 13.607 1.432 485 H LEU 78 HN LEU 78 -6.114 8.586 6.184 486 HA LEU 78 HA LEU 78 -6.910 6.172 4.932 487 HB2 LEU 78 HB2 LEU 78 -6.816 6.882 7.869 488 HB3 LEU 78 HB1 LEU 78 -7.010 5.261 7.231 489 HG LEU 78 HG LEU 78 -4.571 7.017 6.924 490 HD11 LEU 78 HD11 LEU 78 -3.505 5.297 8.317 491 HD12 LEU 78 HD12 LEU 78 -5.065 4.496 8.504 492 HD13 LEU 78 HD13 LEU 78 -4.822 6.115 9.160 493 HD21 LEU 78 HD21 LEU 78 -4.845 5.678 4.941 494 HD22 LEU 78 HD22 LEU 78 -5.148 4.238 5.912 495 HD23 LEU 78 HD23 LEU 78 -3.553 4.990 5.927 496 H ALA 79 HN ALA 79 -8.833 5.024 5.062 497 HA ALA 79 HA ALA 79 -11.173 6.718 5.573 498 HB1 ALA 79 HB1 ALA 79 -12.414 5.075 4.211 499 HB2 ALA 79 HB2 ALA 79 -10.922 4.162 3.985 500 HB3 ALA 79 HB3 ALA 79 -11.060 5.799 3.344 501 H ALA 80 HN ALA 80 -10.275 6.093 7.890 502 HA ALA 80 HA ALA 80 -10.883 5.308 9.917 503 HB1 ALA 80 HB1 ALA 80 -13.125 4.470 10.254 504 HB2 ALA 80 HB2 ALA 80 -13.312 4.202 8.520 505 HB3 ALA 80 HB3 ALA 80 -13.153 5.844 9.147 506 H GLY 81 HN GLY 81 -12.449 2.619 8.264 507 HA2 GLY 81 HA2 GLY 81 -10.922 0.743 9.829 508 HA3 GLY 81 HA1 GLY 81 -12.158 0.353 8.640 509 H PHE 82 HN PHE 82 -10.708 2.138 6.682 510 HA PHE 82 HA PHE 82 -8.951 0.064 5.667 511 HB2 PHE 82 HB2 PHE 82 -9.827 2.704 4.481 512 HB3 PHE 82 HB1 PHE 82 -8.804 1.535 3.661 513 HD1 PHE 82 HD2 PHE 82 -9.710 -0.569 2.858 514 HD2 PHE 82 HD1 PHE 82 -12.180 2.326 4.757 515 HE1 PHE 82 HE2 PHE 82 -11.712 -1.710 1.986 516 HE2 PHE 82 HE1 PHE 82 -14.185 1.192 3.892 517 HZ PHE 82 HZ PHE 82 -13.952 -0.830 2.502 518 H SER 83 HN SER 83 -6.955 -0.005 6.369 519 HA SER 83 HA SER 83 -5.359 2.463 6.393 520 HB2 SER 83 HB2 SER 83 -5.177 0.319 8.527 521 HB3 SER 83 HB1 SER 83 -4.296 1.845 8.478 522 HG SER 83 HG SER 83 -6.800 2.523 8.328 523 H ALA 84 HN ALA 84 -2.929 1.784 6.463 524 HA ALA 84 HA ALA 84 -2.663 -0.499 4.633 525 HB1 ALA 84 HB1 ALA 84 -0.500 0.520 3.985 526 HB2 ALA 84 HB2 ALA 84 -0.824 1.857 5.088 527 HB3 ALA 84 HB3 ALA 84 -1.872 1.589 3.696 528 H GLY 85 HN GLY 85 -0.444 -1.621 4.839 529 HA2 GLY 85 HA2 GLY 85 0.159 -1.991 7.702 530 HA3 GLY 85 HA1 GLY 85 -0.254 -3.370 6.696 531 H THR 86 HN THR 86 1.321 -4.380 5.627 532 HA THR 86 HA THR 86 4.019 -3.211 5.802 533 HB THR 86 HB THR 86 3.644 -5.153 7.308 534 HG1 THR 86 HG1 THR 86 5.586 -6.012 6.867 535 HG21 THR 86 HG21 THR 86 1.997 -6.369 6.004 536 HG22 THR 86 HG22 THR 86 3.389 -7.399 6.338 537 HG23 THR 86 HG23 THR 86 3.192 -6.673 4.743 538 H SER 87 HN SER 87 5.416 -4.954 4.255 539 HA SER 87 HA SER 87 4.055 -5.102 1.660 540 HB2 SER 87 HB2 SER 87 6.851 -4.005 2.059 541 HB3 SER 87 HB1 SER 87 6.014 -4.194 0.518 542 HG SER 87 HG SER 87 4.854 -2.675 2.575 543 H THR 88 HN THR 88 4.762 -6.816 0.354 544 HA THR 88 HA THR 88 6.617 -8.723 1.586 545 HB THR 88 HB THR 88 4.868 -10.512 1.064 546 HG1 THR 88 HG1 THR 88 3.278 -9.482 -0.031 547 HG21 THR 88 HG21 THR 88 4.341 -8.502 3.251 548 HG22 THR 88 HG22 THR 88 5.476 -9.852 3.342 549 HG23 THR 88 HG23 THR 88 3.742 -10.161 3.220 550 H ASP 89 HN ASP 89 5.496 -10.782 -0.237 551 HA ASP 89 HA ASP 89 5.868 -11.718 -2.248 552 HB2 ASP 89 HB2 ASP 89 4.036 -10.280 -2.892 553 HB3 ASP 89 HB1 ASP 89 5.144 -8.942 -3.189 554 H VAL 90 HN VAL 90 7.113 -8.513 -3.163 555 HA VAL 90 HA VAL 90 9.239 -9.734 -4.589 556 HB VAL 90 HB VAL 90 10.075 -7.312 -4.807 557 HG11 VAL 90 HG11 VAL 90 8.436 -6.851 -6.524 558 HG12 VAL 90 HG12 VAL 90 7.317 -8.005 -5.800 559 HG13 VAL 90 HG13 VAL 90 8.825 -8.572 -6.522 560 HG21 VAL 90 HG21 VAL 90 7.503 -6.937 -3.319 561 HG22 VAL 90 HG22 VAL 90 8.045 -5.738 -4.488 562 HG23 VAL 90 HG23 VAL 90 9.055 -6.123 -3.093 563 H LEU 91 HN LEU 91 9.087 -7.906 -1.546 564 HA LEU 91 HA LEU 91 11.937 -8.360 -1.122 565 HB2 LEU 91 HB2 LEU 91 11.616 -7.020 0.944 566 HB3 LEU 91 HB1 LEU 91 11.192 -6.173 -0.528 567 HG LEU 91 HG LEU 91 9.004 -7.534 0.960 568 HD11 LEU 91 HD11 LEU 91 10.239 -4.909 1.794 569 HD12 LEU 91 HD12 LEU 91 10.263 -6.406 2.727 570 HD13 LEU 91 HD13 LEU 91 8.733 -5.585 2.417 571 HD21 LEU 91 HD21 LEU 91 7.750 -5.586 0.176 572 HD22 LEU 91 HD22 LEU 91 8.549 -6.421 -1.156 573 HD23 LEU 91 HD23 LEU 91 9.225 -4.920 -0.524 574 H SER 92 HN SER 92 8.841 -9.444 0.151 575 HA SER 92 HA SER 92 10.157 -10.891 2.307 576 HB2 SER 92 HB2 SER 92 8.041 -9.629 2.694 577 HB3 SER 92 HB1 SER 92 7.216 -10.747 1.611 578 HG SER 92 HG SER 92 7.933 -11.044 4.225 579 H SER 93 HN SER 93 7.914 -11.667 -0.350 580 HA SER 93 HA SER 93 7.618 -13.497 -1.632 581 HB2 SER 93 HB2 SER 93 10.161 -13.401 -1.782 582 HB3 SER 93 HB1 SER 93 10.187 -14.641 -0.528 583 HG SER 93 HG SER 93 8.589 -15.031 -2.808 584 H GLY 94 HN GLY 94 6.901 -15.701 -1.517 585 HA2 GLY 94 HA2 GLY 94 5.980 -17.537 -0.424 586 HA3 GLY 94 HA1 GLY 94 6.691 -16.967 1.082 587 H THR 95 HN THR 95 4.937 -14.714 -0.776 588 HA THR 95 HA THR 95 2.894 -14.573 1.305 589 HB THR 95 HB THR 95 3.169 -12.587 -0.927 590 HG1 THR 95 HG1 THR 95 4.916 -12.920 1.309 591 HG21 THR 95 HG21 THR 95 2.827 -11.894 1.944 592 HG22 THR 95 HG22 THR 95 1.466 -12.652 1.111 593 HG23 THR 95 HG23 THR 95 2.134 -11.132 0.510 594 H VAL 96 HN VAL 96 0.752 -14.969 0.890 595 HA VAL 96 HA VAL 96 -0.032 -16.162 -1.572 596 HB VAL 96 HB VAL 96 -2.376 -15.971 -0.637 597 HG11 VAL 96 HG11 VAL 96 -1.023 -17.973 -0.356 598 HG12 VAL 96 HG12 VAL 96 -1.998 -17.674 1.084 599 HG13 VAL 96 HG13 VAL 96 -0.278 -17.283 1.088 600 HG21 VAL 96 HG21 VAL 96 -0.902 -14.885 1.764 601 HG22 VAL 96 HG22 VAL 96 -2.590 -15.391 1.742 602 HG23 VAL 96 HG23 VAL 96 -2.071 -14.011 0.775 603 H GLY 97 HN GLY 97 -0.463 -15.144 -3.415 604 HA2 GLY 97 HA2 GLY 97 -1.065 -13.456 -4.882 605 HA3 GLY 97 HA1 GLY 97 -1.799 -12.600 -3.527 606 H SER 98 HN SER 98 -0.916 -10.573 -3.652 607 HA SER 98 HA SER 98 2.020 -10.461 -3.519 608 HB2 SER 98 HB2 SER 98 0.117 -8.249 -4.340 609 HB3 SER 98 HB1 SER 98 1.879 -8.186 -4.380 610 HG SER 98 HG SER 98 0.275 -9.996 -5.883 Start of MODEL 10 1 H1 SER 19 HT1 SER 19 20.099 -0.352 -3.410 2 H2 SER 19 HT2 SER 19 19.912 -0.239 -1.729 3 H3 SER 19 HT3 SER 19 21.427 0.052 -2.434 4 HA SER 19 HA SER 19 20.432 2.112 -1.807 5 HB2 SER 19 HB2 SER 19 20.276 1.772 -4.812 6 HB3 SER 19 HB1 SER 19 20.598 3.262 -3.929 7 HG SER 19 HG SER 19 22.534 2.403 -4.678 8 H PHE 20 HN PHE 20 18.587 1.657 -4.751 9 HA PHE 20 HA PHE 20 16.166 2.504 -3.399 10 HB2 PHE 20 HB2 PHE 20 16.769 1.955 -6.314 11 HB3 PHE 20 HB1 PHE 20 15.202 2.481 -5.719 12 HD1 PHE 20 HD2 PHE 20 18.700 3.473 -6.241 13 HD2 PHE 20 HD1 PHE 20 14.799 4.739 -5.109 14 HE1 PHE 20 HE2 PHE 20 19.402 5.818 -6.465 15 HE2 PHE 20 HE1 PHE 20 15.493 7.090 -5.331 16 HZ PHE 20 HZ PHE 20 17.797 7.631 -6.010 17 H VAL 21 HN VAL 21 14.254 1.349 -3.382 18 HA VAL 21 HA VAL 21 14.331 -1.439 -4.195 19 HB VAL 21 HB VAL 21 15.140 -1.674 -1.978 20 HG11 VAL 21 HG11 VAL 21 12.881 0.054 -1.006 21 HG12 VAL 21 HG12 VAL 21 14.516 0.636 -1.318 22 HG13 VAL 21 HG13 VAL 21 14.234 -0.577 -0.063 23 HG21 VAL 21 HG21 VAL 21 13.215 -3.170 -2.620 24 HG22 VAL 21 HG22 VAL 21 12.170 -2.101 -1.679 25 HG23 VAL 21 HG23 VAL 21 13.477 -2.981 -0.889 26 H GLN 22 HN GLN 22 12.398 -2.224 -4.804 27 HA GLN 22 HA GLN 22 10.044 -0.484 -4.488 28 HB2 GLN 22 HB2 GLN 22 9.240 -1.663 -6.600 29 HB3 GLN 22 HB1 GLN 22 10.584 -0.546 -6.794 30 HG2 GLN 22 HG2 GLN 22 11.382 -2.273 -8.021 31 HG3 GLN 22 HG1 GLN 22 12.001 -2.750 -6.443 32 HE21 GLN 22 HE21 GLN 22 8.664 -2.944 -7.481 33 HE22 GLN 22 HE22 GLN 22 8.565 -4.672 -7.472 34 H CYS 23 HN CYS 23 8.059 -1.464 -3.916 35 HA CYS 23 HA CYS 23 8.081 -4.287 -3.241 36 HB2 CYS 23 HB2 CYS 23 7.538 -3.767 -0.830 37 HB3 CYS 23 HB1 CYS 23 9.202 -3.467 -1.316 38 HG CYS 23 HG CYS 23 8.799 -1.371 0.283 39 H ASN 24 HN ASN 24 6.035 -5.114 -2.586 40 HA ASN 24 HA ASN 24 3.797 -3.614 -3.613 41 HB2 ASN 24 HB2 ASN 24 2.530 -5.725 -2.722 42 HB3 ASN 24 HB1 ASN 24 3.529 -5.856 -4.162 43 HD21 ASN 24 HD21 ASN 24 5.356 -7.081 -4.118 44 HD22 ASN 24 HD22 ASN 24 5.777 -8.118 -2.799 45 H HIS 25 HN HIS 25 2.802 -2.153 -2.445 46 HA HIS 25 HA HIS 25 3.150 -2.053 0.425 47 HB2 HIS 25 HB2 HIS 25 1.503 -0.271 -1.390 48 HB3 HIS 25 HB1 HIS 25 1.882 0.053 0.295 49 HD1 HIS 25 HD1 HIS 25 4.869 -1.274 -1.057 50 HD2 HIS 25 HD2 HIS 25 2.968 2.403 -1.340 51 HE1 HIS 25 HE1 HIS 25 6.642 0.342 -1.795 52 HE2 HIS 25 HE2 HIS 25 5.408 2.498 -2.193 53 H HIS 26 HN HIS 26 1.827 -2.969 1.855 54 HA HIS 26 HA HIS 26 -0.577 -4.270 0.842 55 HB2 HIS 26 HB2 HIS 26 0.968 -4.534 3.421 56 HB3 HIS 26 HB1 HIS 26 -0.583 -5.322 3.165 57 HD1 HIS 26 HD1 HIS 26 0.239 -7.703 3.167 58 HD2 HIS 26 HD2 HIS 26 2.272 -5.296 0.457 59 HE1 HIS 26 HE1 HIS 26 1.611 -9.276 1.760 60 HE2 HIS 26 HE2 HIS 26 2.945 -7.778 0.228 61 H LEU 27 HN LEU 27 -2.576 -3.619 1.233 62 HA LEU 27 HA LEU 27 -3.044 -1.551 3.268 63 HB2 LEU 27 HB2 LEU 27 -3.912 -1.493 0.791 64 HB3 LEU 27 HB1 LEU 27 -5.116 -2.635 1.368 65 HG LEU 27 HG LEU 27 -5.971 -0.331 1.288 66 HD11 LEU 27 HD11 LEU 27 -6.959 -0.248 3.485 67 HD12 LEU 27 HD12 LEU 27 -5.706 -1.318 4.118 68 HD13 LEU 27 HD13 LEU 27 -6.871 -1.925 2.938 69 HD21 LEU 27 HD21 LEU 27 -3.924 0.884 1.707 70 HD22 LEU 27 HD22 LEU 27 -3.844 0.235 3.344 71 HD23 LEU 27 HD23 LEU 27 -5.147 1.333 2.897 72 H LEU 28 HN LEU 28 -4.043 -2.063 5.135 73 HA LEU 28 HA LEU 28 -4.924 -4.851 5.468 74 HB2 LEU 28 HB2 LEU 28 -3.085 -3.327 6.935 75 HB3 LEU 28 HB1 LEU 28 -4.521 -3.406 7.941 76 HG LEU 28 HG LEU 28 -3.053 -5.198 8.546 77 HD11 LEU 28 HD11 LEU 28 -4.477 -7.170 8.104 78 HD12 LEU 28 HD12 LEU 28 -5.414 -6.205 6.961 79 HD13 LEU 28 HD13 LEU 28 -5.379 -5.766 8.668 80 HD21 LEU 28 HD21 LEU 28 -1.646 -5.508 6.724 81 HD22 LEU 28 HD22 LEU 28 -2.989 -5.720 5.603 82 HD23 LEU 28 HD23 LEU 28 -2.602 -6.991 6.764 83 H TYR 29 HN TYR 29 -7.011 -5.168 5.769 84 HA TYR 29 HA TYR 29 -8.688 -2.901 6.592 85 HB2 TYR 29 HB2 TYR 29 -9.305 -4.015 4.464 86 HB3 TYR 29 HB1 TYR 29 -9.464 -5.546 5.318 87 HD1 TYR 29 HD1 TYR 29 -10.677 -2.080 6.020 88 HD2 TYR 29 HD2 TYR 29 -11.683 -6.173 5.431 89 HE1 TYR 29 HE1 TYR 29 -13.034 -1.560 6.473 90 HE2 TYR 29 HE2 TYR 29 -14.048 -5.660 5.877 91 HH TYR 29 HH TYR 29 -15.232 -2.440 6.036 92 H ASN 30 HN ASN 30 -10.131 -3.161 8.330 93 HA ASN 30 HA ASN 30 -9.346 -4.677 10.520 94 HB2 ASN 30 HB2 ASN 30 -10.847 -2.763 10.737 95 HB3 ASN 30 HB1 ASN 30 -12.096 -3.608 9.828 96 HD21 ASN 30 HD21 ASN 30 -13.577 -3.476 11.467 97 HD22 ASN 30 HD22 ASN 30 -13.460 -4.418 12.914 98 H GLY 31 HN GLY 31 -9.046 -6.814 10.287 99 HA2 GLY 31 HA2 GLY 31 -10.531 -8.855 10.619 100 HA3 GLY 31 HA1 GLY 31 -11.210 -8.394 9.065 101 H ARG 32 HN ARG 32 -9.108 -7.803 7.501 102 HA ARG 32 HA ARG 32 -7.112 -9.861 7.607 103 HB2 ARG 32 HB2 ARG 32 -9.531 -10.209 5.865 104 HB3 ARG 32 HB1 ARG 32 -7.970 -10.798 5.308 105 HG2 ARG 32 HG2 ARG 32 -9.365 -11.620 7.851 106 HG3 ARG 32 HG1 ARG 32 -9.261 -12.567 6.365 107 HD2 ARG 32 HD2 ARG 32 -6.818 -12.608 6.573 108 HD3 ARG 32 HD1 ARG 32 -6.934 -11.683 8.068 109 HE ARG 32 HE ARG 32 -8.395 -14.188 8.016 110 HH11 ARG 32 HH11 ARG 32 -5.432 -12.534 8.861 111 HH12 ARG 32 HH12 ARG 32 -4.941 -13.721 10.031 112 HH21 ARG 32 HH21 ARG 32 -7.762 -15.767 9.541 113 HH22 ARG 32 HH22 ARG 32 -6.261 -15.579 10.403 114 H HIS 33 HN HIS 33 -6.055 -10.041 5.317 115 HA HIS 33 HA HIS 33 -5.032 -7.541 4.537 116 HB2 HIS 33 HB2 HIS 33 -3.731 -9.495 4.174 117 HB3 HIS 33 HB1 HIS 33 -5.026 -10.293 3.297 118 HD1 HIS 33 HD1 HIS 33 -2.213 -7.879 2.876 119 HD2 HIS 33 HD2 HIS 33 -5.238 -9.590 0.589 120 HE1 HIS 33 HE1 HIS 33 -1.609 -7.397 0.475 121 HE2 HIS 33 HE2 HIS 33 -3.358 -8.602 -0.891 122 H TRP 34 HN TRP 34 -5.757 -6.038 3.138 123 HA TRP 34 HA TRP 34 -8.299 -6.557 1.802 124 HB2 TRP 34 HB2 TRP 34 -7.983 -4.485 3.127 125 HB3 TRP 34 HB1 TRP 34 -6.720 -3.984 2.007 126 HD1 TRP 34 HD1 TRP 34 -10.516 -4.719 2.015 127 HE1 TRP 34 HE1 TRP 34 -11.618 -3.277 0.190 128 HE3 TRP 34 HE3 TRP 34 -6.317 -2.616 -0.010 129 HZ2 TRP 34 HZ2 TRP 34 -10.816 -1.484 -1.828 130 HZ3 TRP 34 HZ3 TRP 34 -6.575 -1.046 -1.885 131 HH2 TRP 34 HH2 TRP 34 -8.778 -0.493 -2.775 132 H GLY 35 HN GLY 35 -5.129 -5.185 0.892 133 HA2 GLY 35 HA2 GLY 35 -4.984 -6.668 -1.525 134 HA3 GLY 35 HA1 GLY 35 -5.564 -5.038 -1.851 135 H THR 36 HN THR 36 -3.331 -5.450 -3.104 136 HA THR 36 HA THR 36 -1.457 -3.788 -1.660 137 HB THR 36 HB THR 36 -0.883 -6.181 -1.061 138 HG1 THR 36 HG1 THR 36 0.615 -4.170 -1.435 139 HG21 THR 36 HG21 THR 36 0.001 -6.268 -3.947 140 HG22 THR 36 HG22 THR 36 -1.303 -7.220 -3.236 141 HG23 THR 36 HG23 THR 36 0.363 -7.487 -2.723 142 H ILE 37 HN ILE 37 -0.084 -2.623 -2.981 143 HA ILE 37 HA ILE 37 -0.187 -3.172 -5.867 144 HB ILE 37 HB ILE 37 -0.279 -0.416 -4.597 145 HG12 ILE 37 HG12 ILE 37 -2.365 -0.190 -6.081 146 HG13 ILE 37 HG11 ILE 37 -2.322 -1.951 -6.200 147 HG21 ILE 37 HG21 ILE 37 -0.331 0.448 -6.898 148 HG22 ILE 37 HG22 ILE 37 -0.058 -1.188 -7.499 149 HG23 ILE 37 HG23 ILE 37 1.174 -0.391 -6.522 150 HD11 ILE 37 HD11 ILE 37 -2.581 -2.131 -3.795 151 HD12 ILE 37 HD12 ILE 37 -3.877 -1.162 -4.495 152 HD13 ILE 37 HD13 ILE 37 -2.548 -0.372 -3.650 153 H ARG 38 HN ARG 38 1.833 -3.315 -6.763 154 HA ARG 38 HA ARG 38 4.064 -2.959 -4.931 155 HB2 ARG 38 HB2 ARG 38 3.783 -5.014 -6.389 156 HB3 ARG 38 HB1 ARG 38 4.198 -3.995 -7.761 157 HG2 ARG 38 HG2 ARG 38 6.360 -3.497 -6.764 158 HG3 ARG 38 HG1 ARG 38 5.953 -4.496 -5.367 159 HD2 ARG 38 HD2 ARG 38 7.363 -5.722 -6.908 160 HD3 ARG 38 HD1 ARG 38 5.761 -6.449 -6.833 161 HE ARG 38 HE ARG 38 6.427 -4.569 -8.997 162 HH11 ARG 38 HH11 ARG 38 5.495 -7.790 -7.955 163 HH12 ARG 38 HH12 ARG 38 5.210 -8.351 -9.579 164 HH21 ARG 38 HH21 ARG 38 6.033 -5.302 -11.099 165 HH22 ARG 38 HH22 ARG 38 5.492 -6.933 -11.360 166 H LYS 39 HN LYS 39 4.997 -1.083 -4.795 167 HA LYS 39 HA LYS 39 5.618 0.441 -7.212 168 HB2 LYS 39 HB2 LYS 39 4.123 1.514 -4.816 169 HB3 LYS 39 HB1 LYS 39 4.917 2.550 -5.996 170 HG2 LYS 39 HG2 LYS 39 2.775 0.548 -6.680 171 HG3 LYS 39 HG1 LYS 39 2.473 2.256 -6.353 172 HD2 LYS 39 HD2 LYS 39 3.746 2.932 -8.242 173 HD3 LYS 39 HD1 LYS 39 4.392 1.307 -8.469 174 HE2 LYS 39 HE2 LYS 39 1.454 1.908 -8.662 175 HE3 LYS 39 HE1 LYS 39 2.532 2.054 -10.045 176 HZ1 LYS 39 HZ1 LYS 39 3.090 -0.265 -9.851 177 HZ2 LYS 39 HZ2 LYS 39 1.406 -0.101 -9.952 178 HZ3 LYS 39 HZ3 LYS 39 2.140 -0.426 -8.462 179 H LYS 40 HN LYS 40 7.346 1.963 -6.898 180 HA LYS 40 HA LYS 40 9.384 0.883 -5.223 181 HB2 LYS 40 HB2 LYS 40 9.380 3.490 -6.756 182 HB3 LYS 40 HB1 LYS 40 10.794 2.647 -6.138 183 HG2 LYS 40 HG2 LYS 40 10.319 0.772 -7.644 184 HG3 LYS 40 HG1 LYS 40 8.934 1.657 -8.286 185 HD2 LYS 40 HD2 LYS 40 10.860 1.907 -9.755 186 HD3 LYS 40 HD1 LYS 40 10.440 3.456 -9.020 187 HE2 LYS 40 HE2 LYS 40 12.212 3.173 -7.377 188 HE3 LYS 40 HE1 LYS 40 12.618 1.601 -8.061 189 HZ1 LYS 40 HZ1 LYS 40 13.080 2.797 -10.186 190 HZ2 LYS 40 HZ2 LYS 40 14.139 3.176 -8.922 191 HZ3 LYS 40 HZ3 LYS 40 12.903 4.260 -9.347 192 H ALA 41 HN ALA 41 10.568 2.009 -3.587 193 HA ALA 41 HA ALA 41 8.963 3.187 -1.603 194 HB1 ALA 41 HB1 ALA 41 11.025 3.530 -0.382 195 HB2 ALA 41 HB2 ALA 41 11.966 3.268 -1.850 196 HB3 ALA 41 HB3 ALA 41 11.040 1.940 -1.148 197 H GLY 42 HN GLY 42 8.692 5.287 -0.946 198 HA2 GLY 42 HA2 GLY 42 9.019 7.600 -0.929 199 HA3 GLY 42 HA1 GLY 42 10.104 7.434 -2.300 200 H TRP 43 HN TRP 43 7.944 5.744 -3.626 201 HA TRP 43 HA TRP 43 6.578 8.025 -4.803 202 HB2 TRP 43 HB2 TRP 43 6.721 5.134 -5.672 203 HB3 TRP 43 HB1 TRP 43 5.917 6.420 -6.570 204 HD1 TRP 43 HD1 TRP 43 9.304 4.902 -5.940 205 HE1 TRP 43 HE1 TRP 43 11.077 6.119 -7.350 206 HE3 TRP 43 HE3 TRP 43 6.476 8.837 -7.566 207 HZ2 TRP 43 HZ2 TRP 43 11.253 8.442 -8.947 208 HZ3 TRP 43 HZ3 TRP 43 7.520 10.514 -9.034 209 HH2 TRP 43 HH2 TRP 43 9.862 10.319 -9.709 210 H ALA 44 HN ALA 44 4.526 8.477 -4.542 211 HA ALA 44 HA ALA 44 3.018 7.218 -2.514 212 HB1 ALA 44 HB1 ALA 44 2.832 9.599 -3.045 213 HB2 ALA 44 HB2 ALA 44 1.268 8.791 -3.109 214 HB3 ALA 44 HB3 ALA 44 2.110 9.195 -4.603 215 H VAL 45 HN VAL 45 1.601 5.619 -2.577 216 HA VAL 45 HA VAL 45 0.647 4.694 -5.205 217 HB VAL 45 HB VAL 45 2.089 3.073 -3.928 218 HG11 VAL 45 HG11 VAL 45 -0.253 3.006 -2.035 219 HG12 VAL 45 HG12 VAL 45 1.356 3.632 -1.675 220 HG13 VAL 45 HG13 VAL 45 1.132 1.915 -2.008 221 HG21 VAL 45 HG21 VAL 45 0.641 1.148 -4.307 222 HG22 VAL 45 HG22 VAL 45 0.511 2.314 -5.624 223 HG23 VAL 45 HG23 VAL 45 -0.759 2.216 -4.404 224 H ARG 46 HN ARG 46 -1.584 4.009 -5.313 225 HA ARG 46 HA ARG 46 -3.182 5.514 -3.377 226 HB2 ARG 46 HB2 ARG 46 -4.608 6.138 -5.039 227 HB3 ARG 46 HB1 ARG 46 -3.149 5.930 -5.989 228 HG2 ARG 46 HG2 ARG 46 -5.337 3.882 -5.711 229 HG3 ARG 46 HG1 ARG 46 -5.166 5.006 -7.054 230 HD2 ARG 46 HD2 ARG 46 -2.899 3.988 -7.478 231 HD3 ARG 46 HD1 ARG 46 -3.308 2.744 -6.285 232 HE ARG 46 HE ARG 46 -4.599 3.165 -8.894 233 HH11 ARG 46 HH11 ARG 46 -4.189 1.235 -5.989 234 HH12 ARG 46 HH12 ARG 46 -5.085 -0.123 -6.616 235 HH21 ARG 46 HH21 ARG 46 -5.797 1.410 -9.696 236 HH22 ARG 46 HH22 ARG 46 -6.019 -0.009 -8.715 237 H PHE 47 HN PHE 47 -4.711 4.585 -2.171 238 HA PHE 47 HA PHE 47 -5.583 1.865 -2.890 239 HB2 PHE 47 HB2 PHE 47 -5.263 3.018 -0.103 240 HB3 PHE 47 HB1 PHE 47 -5.931 1.436 -0.476 241 HD1 PHE 47 HD2 PHE 47 -4.414 -0.254 -1.609 242 HD2 PHE 47 HD1 PHE 47 -2.982 3.314 0.210 243 HE1 PHE 47 HE2 PHE 47 -2.165 -1.240 -1.455 244 HE2 PHE 47 HE1 PHE 47 -0.731 2.335 0.372 245 HZ PHE 47 HZ PHE 47 -0.322 0.054 -0.462 246 H TYR 48 HN TYR 48 -7.679 1.853 -3.423 247 HA TYR 48 HA TYR 48 -9.579 3.468 -1.951 248 HB2 TYR 48 HB2 TYR 48 -10.512 4.596 -3.860 249 HB3 TYR 48 HB1 TYR 48 -8.801 4.976 -3.770 250 HD1 TYR 48 HD1 TYR 48 -7.243 4.061 -5.453 251 HD2 TYR 48 HD2 TYR 48 -11.434 3.399 -5.709 252 HE1 TYR 48 HE1 TYR 48 -6.993 3.435 -7.820 253 HE2 TYR 48 HE2 TYR 48 -11.200 2.764 -8.069 254 HH TYR 48 HH TYR 48 -9.615 3.203 -9.939 255 H GLU 49 HN GLU 49 -11.693 2.707 -2.111 256 HA GLU 49 HA GLU 49 -11.780 -0.082 -2.909 257 HB2 GLU 49 HB2 GLU 49 -13.927 -0.160 -1.728 258 HB3 GLU 49 HB1 GLU 49 -12.661 0.519 -0.700 259 HG2 GLU 49 HG2 GLU 49 -13.510 2.770 -1.160 260 HG3 GLU 49 HG1 GLU 49 -14.765 2.073 -2.189 261 H GLU 50 HN GLU 50 -12.705 -0.806 -4.673 262 HA GLU 50 HA GLU 50 -14.361 1.047 -6.232 263 HB2 GLU 50 HB2 GLU 50 -13.832 -0.288 -8.187 264 HB3 GLU 50 HB1 GLU 50 -12.345 0.195 -7.387 265 HG2 GLU 50 HG2 GLU 50 -13.620 -2.503 -7.015 266 HG3 GLU 50 HG1 GLU 50 -12.411 -2.160 -8.249 267 H LYS 51 HN LYS 51 -16.431 0.598 -6.579 268 HA LYS 51 HA LYS 51 -17.393 -2.117 -6.031 269 HB2 LYS 51 HB2 LYS 51 -18.653 0.481 -5.120 270 HB3 LYS 51 HB1 LYS 51 -19.430 -1.092 -5.012 271 HG2 LYS 51 HG2 LYS 51 -16.805 -0.461 -3.655 272 HG3 LYS 51 HG1 LYS 51 -18.384 -0.256 -2.890 273 HD2 LYS 51 HD2 LYS 51 -18.827 -2.560 -2.933 274 HD3 LYS 51 HD1 LYS 51 -17.557 -2.867 -4.120 275 HE2 LYS 51 HE2 LYS 51 -16.909 -1.753 -1.421 276 HE3 LYS 51 HE1 LYS 51 -17.127 -3.490 -1.650 277 HZ1 LYS 51 HZ1 LYS 51 -15.362 -3.483 -3.272 278 HZ2 LYS 51 HZ2 LYS 51 -14.795 -2.795 -1.831 279 HZ3 LYS 51 HZ3 LYS 51 -15.191 -1.803 -3.149 280 HA PRO 52 HA PRO 52 -18.405 -1.513 -10.316 281 HB2 PRO 52 HB2 PRO 52 -20.273 -3.609 -10.346 282 HB3 PRO 52 HB1 PRO 52 -18.557 -3.722 -10.745 283 HG2 PRO 52 HG2 PRO 52 -19.961 -4.376 -8.201 284 HG3 PRO 52 HG1 PRO 52 -18.554 -5.158 -8.947 285 HD2 PRO 52 HD2 PRO 52 -18.276 -3.540 -6.836 286 HD3 PRO 52 HD1 PRO 52 -17.079 -3.549 -8.150 287 H GLY 53 HN GLY 53 -19.632 0.131 -10.900 288 HA2 GLY 53 HA2 GLY 53 -21.655 1.116 -11.538 289 HA3 GLY 53 HA1 GLY 53 -22.510 -0.044 -10.534 290 H GLN 54 HN GLN 54 -20.161 1.004 -8.612 291 HA GLN 54 HA GLN 54 -21.780 3.212 -7.509 292 HB2 GLN 54 HB2 GLN 54 -20.076 1.198 -6.013 293 HB3 GLN 54 HB1 GLN 54 -21.060 2.469 -5.290 294 HG2 GLN 54 HG2 GLN 54 -23.081 1.419 -6.121 295 HG3 GLN 54 HG1 GLN 54 -22.124 0.174 -6.921 296 HE21 GLN 54 HE21 GLN 54 -23.093 -1.477 -5.806 297 HE22 GLN 54 HE22 GLN 54 -22.817 -1.773 -4.118 298 HA PRO 55 HA PRO 55 -18.107 5.713 -7.658 299 HB2 PRO 55 HB2 PRO 55 -18.354 7.225 -5.430 300 HB3 PRO 55 HB1 PRO 55 -19.358 7.466 -6.862 301 HG2 PRO 55 HG2 PRO 55 -20.007 6.021 -4.317 302 HG3 PRO 55 HG1 PRO 55 -21.016 7.132 -5.263 303 HD2 PRO 55 HD2 PRO 55 -21.285 4.442 -5.400 304 HD3 PRO 55 HD1 PRO 55 -21.601 5.509 -6.784 305 H LYS 56 HN LYS 56 -16.075 6.048 -6.727 306 HA LYS 56 HA LYS 56 -15.322 3.930 -4.819 307 HB2 LYS 56 HB2 LYS 56 -13.698 5.362 -6.936 308 HB3 LYS 56 HB1 LYS 56 -13.089 4.103 -5.868 309 HG2 LYS 56 HG2 LYS 56 -14.263 2.433 -6.946 310 HG3 LYS 56 HG1 LYS 56 -15.456 3.556 -7.605 311 HD2 LYS 56 HD2 LYS 56 -13.824 4.448 -9.137 312 HD3 LYS 56 HD1 LYS 56 -12.558 3.436 -8.436 313 HE2 LYS 56 HE2 LYS 56 -13.797 1.434 -9.160 314 HE3 LYS 56 HE1 LYS 56 -15.019 2.471 -9.891 315 HZ1 LYS 56 HZ1 LYS 56 -13.261 3.392 -11.329 316 HZ2 LYS 56 HZ2 LYS 56 -13.505 1.731 -11.572 317 HZ3 LYS 56 HZ3 LYS 56 -12.166 2.268 -10.683 318 H ARG 57 HN ARG 57 -13.794 4.392 -3.184 319 HA ARG 57 HA ARG 57 -13.344 7.259 -2.692 320 HB2 ARG 57 HB2 ARG 57 -15.165 6.594 -1.205 321 HB3 ARG 57 HB1 ARG 57 -14.204 5.244 -0.600 322 HG2 ARG 57 HG2 ARG 57 -12.481 7.076 0.026 323 HG3 ARG 57 HG1 ARG 57 -13.846 8.179 -0.138 324 HD2 ARG 57 HD2 ARG 57 -15.024 7.133 1.614 325 HD3 ARG 57 HD1 ARG 57 -13.952 5.729 1.587 326 HE ARG 57 HE ARG 57 -12.177 7.326 2.371 327 HH11 ARG 57 HH11 ARG 57 -15.569 7.860 3.116 328 HH12 ARG 57 HH12 ARG 57 -15.220 8.822 4.525 329 HH21 ARG 57 HH21 ARG 57 -11.731 8.556 4.220 330 HH22 ARG 57 HH22 ARG 57 -13.046 9.235 5.146 331 H LEU 58 HN LEU 58 -11.368 7.786 -2.007 332 HA LEU 58 HA LEU 58 -9.276 5.859 -2.039 333 HB2 LEU 58 HB2 LEU 58 -9.509 8.782 -1.535 334 HB3 LEU 58 HB1 LEU 58 -8.084 7.967 -0.918 335 HG LEU 58 HG LEU 58 -8.896 7.691 -3.800 336 HD11 LEU 58 HD11 LEU 58 -7.312 9.522 -4.285 337 HD12 LEU 58 HD12 LEU 58 -7.194 9.846 -2.556 338 HD13 LEU 58 HD13 LEU 58 -8.730 10.071 -3.390 339 HD21 LEU 58 HD21 LEU 58 -6.722 6.916 -4.121 340 HD22 LEU 58 HD22 LEU 58 -7.146 6.230 -2.546 341 HD23 LEU 58 HD23 LEU 58 -6.134 7.670 -2.642 342 H VAL 59 HN VAL 59 -8.893 4.483 -0.475 343 HA VAL 59 HA VAL 59 -9.931 4.989 2.180 344 HB VAL 59 HB VAL 59 -9.303 2.715 2.724 345 HG11 VAL 59 HG11 VAL 59 -10.566 2.819 -0.013 346 HG12 VAL 59 HG12 VAL 59 -11.408 3.111 1.507 347 HG13 VAL 59 HG13 VAL 59 -10.727 1.519 1.168 348 HG21 VAL 59 HG21 VAL 59 -8.128 1.259 1.256 349 HG22 VAL 59 HG22 VAL 59 -7.181 2.746 1.380 350 HG23 VAL 59 HG23 VAL 59 -8.167 2.445 -0.048 351 H ALA 60 HN ALA 60 -6.923 5.092 0.457 352 HA ALA 60 HA ALA 60 -5.840 6.885 2.259 353 HB1 ALA 60 HB1 ALA 60 -3.991 5.622 3.267 354 HB2 ALA 60 HB2 ALA 60 -4.701 4.142 2.640 355 HB3 ALA 60 HB3 ALA 60 -5.571 5.086 3.835 356 H ILE 61 HN ILE 61 -4.178 7.933 1.382 357 HA ILE 61 HA ILE 61 -2.822 6.758 -0.939 358 HB ILE 61 HB ILE 61 -2.683 9.620 0.052 359 HG12 ILE 61 HG12 ILE 61 -3.946 9.971 -2.223 360 HG13 ILE 61 HG11 ILE 61 -4.443 8.300 -1.991 361 HG21 ILE 61 HG21 ILE 61 -1.768 8.455 -2.570 362 HG22 ILE 61 HG22 ILE 61 -0.716 8.771 -1.191 363 HG23 ILE 61 HG23 ILE 61 -1.538 10.109 -1.997 364 HD11 ILE 61 HD11 ILE 61 -4.998 10.641 -0.195 365 HD12 ILE 61 HD12 ILE 61 -5.334 8.966 0.233 366 HD13 ILE 61 HD13 ILE 61 -6.155 9.703 -1.143 367 H CYS 62 HN CYS 62 -0.884 5.837 -0.532 368 HA CYS 62 HA CYS 62 0.525 6.696 1.900 369 HB2 CYS 62 HB2 CYS 62 -0.975 4.634 2.201 370 HB3 CYS 62 HB1 CYS 62 0.192 3.785 1.191 371 H LYS 63 HN LYS 63 2.763 6.254 1.953 372 HA LYS 63 HA LYS 63 4.001 4.972 -0.318 373 HB2 LYS 63 HB2 LYS 63 5.319 6.800 -1.054 374 HB3 LYS 63 HB1 LYS 63 3.671 7.405 -0.972 375 HG2 LYS 63 HG2 LYS 63 4.163 8.479 1.157 376 HG3 LYS 63 HG1 LYS 63 5.813 7.857 1.093 377 HD2 LYS 63 HD2 LYS 63 5.930 10.089 0.316 378 HD3 LYS 63 HD1 LYS 63 6.046 9.063 -1.114 379 HE2 LYS 63 HE2 LYS 63 4.567 10.898 -1.579 380 HE3 LYS 63 HE1 LYS 63 3.637 9.399 -1.514 381 HZ1 LYS 63 HZ1 LYS 63 2.502 11.175 -0.362 382 HZ2 LYS 63 HZ2 LYS 63 3.837 11.430 0.648 383 HZ3 LYS 63 HZ3 LYS 63 2.963 9.979 0.748 384 H ASN 64 HN ASN 64 6.366 4.806 0.024 385 HA ASN 64 HA ASN 64 6.862 4.129 2.784 386 HB2 ASN 64 HB2 ASN 64 7.623 2.619 1.000 387 HB3 ASN 64 HB1 ASN 64 8.646 3.895 0.349 388 HD21 ASN 64 HD21 ASN 64 10.553 4.421 1.376 389 HD22 ASN 64 HD22 ASN 64 11.248 3.409 2.606 390 H ALA 65 HN ALA 65 8.185 5.158 4.176 391 HA ALA 65 HA ALA 65 8.409 7.856 4.186 392 HB1 ALA 65 HB1 ALA 65 10.422 6.019 5.464 393 HB2 ALA 65 HB2 ALA 65 8.816 6.358 6.109 394 HB3 ALA 65 HB3 ALA 65 10.003 7.655 5.969 395 H SER 66 HN SER 66 11.177 5.742 3.391 396 HA SER 66 HA SER 66 12.609 8.020 2.305 397 HB2 SER 66 HB2 SER 66 13.915 6.489 3.644 398 HB3 SER 66 HB1 SER 66 13.385 5.115 2.676 399 HG SER 66 HG SER 66 15.144 7.224 1.950 400 HA PRO 67 HA PRO 67 11.388 7.019 -1.872 401 HB2 PRO 67 HB2 PRO 67 13.339 8.956 -2.764 402 HB3 PRO 67 HB1 PRO 67 11.580 9.091 -2.759 403 HG2 PRO 67 HG2 PRO 67 13.211 10.579 -1.151 404 HG3 PRO 67 HG1 PRO 67 11.540 10.157 -0.733 405 HD2 PRO 67 HD2 PRO 67 14.101 8.906 0.184 406 HD3 PRO 67 HD1 PRO 67 12.632 9.281 1.112 407 H VAL 68 HN VAL 68 14.212 6.293 -0.361 408 HA VAL 68 HA VAL 68 15.356 5.082 -2.794 409 HB VAL 68 HB VAL 68 16.952 5.714 -0.322 410 HG11 VAL 68 HG11 VAL 68 17.911 5.412 -3.148 411 HG12 VAL 68 HG12 VAL 68 17.663 4.019 -2.102 412 HG13 VAL 68 HG13 VAL 68 18.829 5.266 -1.646 413 HG21 VAL 68 HG21 VAL 68 17.758 7.725 -1.405 414 HG22 VAL 68 HG22 VAL 68 16.005 7.809 -1.218 415 HG23 VAL 68 HG23 VAL 68 16.706 7.431 -2.791 416 H HIS 69 HN HIS 69 15.502 4.688 0.752 417 HA HIS 69 HA HIS 69 15.605 1.780 0.372 418 HB2 HIS 69 HB2 HIS 69 15.914 3.365 2.933 419 HB3 HIS 69 HB1 HIS 69 16.239 1.656 2.717 420 HD1 HIS 69 HD1 HIS 69 17.843 4.921 2.614 421 HD2 HIS 69 HD2 HIS 69 18.533 1.159 0.971 422 HE1 HIS 69 HE1 HIS 69 20.254 4.916 1.911 423 HE2 HIS 69 HE2 HIS 69 20.593 2.713 0.747 424 H CYS 70 HN CYS 70 14.290 0.449 1.898 425 HA CYS 70 HA CYS 70 11.594 1.578 2.097 426 HB2 CYS 70 HB2 CYS 70 11.990 -0.559 0.807 427 HB3 CYS 70 HB1 CYS 70 12.401 -1.326 2.337 428 HG CYS 70 HG CYS 70 9.521 0.142 2.744 429 H ASN 71 HN ASN 71 10.680 1.983 4.011 430 HA ASN 71 HA ASN 71 12.000 0.927 6.432 431 HB2 ASN 71 HB2 ASN 71 10.673 3.642 6.224 432 HB3 ASN 71 HB1 ASN 71 11.558 3.000 7.599 433 HD21 ASN 71 HD21 ASN 71 12.007 5.469 6.264 434 HD22 ASN 71 HD22 ASN 71 13.618 5.425 5.624 435 H TYR 72 HN TYR 72 9.166 2.962 6.090 436 HA TYR 72 HA TYR 72 7.346 0.744 6.563 437 HB2 TYR 72 HB2 TYR 72 7.532 3.176 8.361 438 HB3 TYR 72 HB1 TYR 72 6.168 2.072 8.348 439 HD1 TYR 72 HD2 TYR 72 6.583 -0.356 8.975 440 HD2 TYR 72 HD1 TYR 72 9.428 2.726 9.682 441 HE1 TYR 72 HE2 TYR 72 7.701 -1.778 10.640 442 HE2 TYR 72 HE1 TYR 72 10.552 1.313 11.351 443 HH TYR 72 HH TYR 72 9.980 -0.597 12.841 444 H LEU 73 HN LEU 73 5.017 1.847 6.667 445 HA LEU 73 HA LEU 73 4.917 3.547 4.281 446 HB2 LEU 73 HB2 LEU 73 2.910 1.652 5.481 447 HB3 LEU 73 HB1 LEU 73 2.485 2.801 4.230 448 HG LEU 73 HG LEU 73 4.400 0.485 4.011 449 HD11 LEU 73 HD11 LEU 73 2.843 -0.227 2.244 450 HD12 LEU 73 HD12 LEU 73 1.796 1.140 2.637 451 HD13 LEU 73 HD13 LEU 73 2.076 -0.133 3.829 452 HD21 LEU 73 HD21 LEU 73 5.415 2.268 2.798 453 HD22 LEU 73 HD22 LEU 73 3.875 2.743 2.086 454 HD23 LEU 73 HD23 LEU 73 4.628 1.216 1.622 455 H LYS 74 HN LYS 74 4.365 5.566 4.466 456 HA LYS 74 HA LYS 74 2.851 6.420 6.838 457 HB2 LYS 74 HB2 LYS 74 4.963 7.747 5.203 458 HB3 LYS 74 HB1 LYS 74 3.712 8.760 5.910 459 HG2 LYS 74 HG2 LYS 74 5.633 8.691 7.362 460 HG3 LYS 74 HG1 LYS 74 4.277 7.870 8.133 461 HD2 LYS 74 HD2 LYS 74 5.235 5.707 7.330 462 HD3 LYS 74 HD1 LYS 74 6.653 6.603 6.783 463 HE2 LYS 74 HE2 LYS 74 7.053 5.616 8.970 464 HE3 LYS 74 HE1 LYS 74 7.045 7.375 9.078 465 HZ1 LYS 74 HZ1 LYS 74 4.813 7.306 9.950 466 HZ2 LYS 74 HZ2 LYS 74 5.803 6.300 10.890 467 HZ3 LYS 74 HZ3 LYS 74 4.738 5.621 9.759 468 H CYS 75 HN CYS 75 0.767 6.553 6.379 469 HA CYS 75 HA CYS 75 -0.002 7.234 3.625 470 HB2 CYS 75 HB2 CYS 75 -1.870 5.879 5.521 471 HB3 CYS 75 HB1 CYS 75 -1.756 5.739 3.771 472 H THR 76 HN THR 76 -1.721 8.626 3.259 473 HA THR 76 HA THR 76 -2.721 10.091 5.611 474 HB THR 76 HB THR 76 -1.133 11.481 4.270 475 HG1 THR 76 HG1 THR 76 -2.582 12.740 5.296 476 HG21 THR 76 HG21 THR 76 -3.219 11.180 2.108 477 HG22 THR 76 HG22 THR 76 -1.577 10.537 2.062 478 HG23 THR 76 HG23 THR 76 -1.840 12.281 2.057 479 H ASN 77 HN ASN 77 -4.875 10.957 5.347 480 HA ASN 77 HA ASN 77 -7.090 10.716 4.923 481 HB2 ASN 77 HB2 ASN 77 -6.382 11.560 2.685 482 HB3 ASN 77 HB1 ASN 77 -6.222 9.896 2.140 483 HD21 ASN 77 HD21 ASN 77 -7.775 10.212 0.539 484 HD22 ASN 77 HD22 ASN 77 -9.464 10.325 0.904 485 H LEU 78 HN LEU 78 -6.160 8.742 6.316 486 HA LEU 78 HA LEU 78 -6.604 6.127 5.237 487 HB2 LEU 78 HB2 LEU 78 -6.459 7.153 8.078 488 HB3 LEU 78 HB1 LEU 78 -6.604 5.456 7.665 489 HG LEU 78 HG LEU 78 -4.298 7.179 6.759 490 HD11 LEU 78 HD11 LEU 78 -4.370 7.085 9.207 491 HD12 LEU 78 HD12 LEU 78 -3.011 6.170 8.556 492 HD13 LEU 78 HD13 LEU 78 -4.448 5.324 9.131 493 HD21 LEU 78 HD21 LEU 78 -3.218 5.054 6.328 494 HD22 LEU 78 HD22 LEU 78 -4.749 5.132 5.455 495 HD23 LEU 78 HD23 LEU 78 -4.626 4.186 6.938 496 H ALA 79 HN ALA 79 -8.432 4.863 5.327 497 HA ALA 79 HA ALA 79 -10.927 6.271 5.877 498 HB1 ALA 79 HB1 ALA 79 -10.551 3.534 4.672 499 HB2 ALA 79 HB2 ALA 79 -10.606 5.027 3.739 500 HB3 ALA 79 HB3 ALA 79 -12.018 4.511 4.662 501 H ALA 80 HN ALA 80 -9.558 5.761 8.162 502 HA ALA 80 HA ALA 80 -9.708 4.931 10.259 503 HB1 ALA 80 HB1 ALA 80 -11.895 4.381 11.093 504 HB2 ALA 80 HB2 ALA 80 -12.492 4.125 9.453 505 HB3 ALA 80 HB3 ALA 80 -12.021 5.743 9.978 506 H GLY 81 HN GLY 81 -11.949 2.474 9.136 507 HA2 GLY 81 HA2 GLY 81 -10.447 0.344 10.235 508 HA3 GLY 81 HA1 GLY 81 -11.821 0.186 9.149 509 H PHE 82 HN PHE 82 -10.193 2.007 7.268 510 HA PHE 82 HA PHE 82 -8.580 -0.129 6.078 511 HB2 PHE 82 HB2 PHE 82 -9.562 2.492 4.942 512 HB3 PHE 82 HB1 PHE 82 -8.524 1.368 4.083 513 HD1 PHE 82 HD1 PHE 82 -11.887 1.988 5.341 514 HD2 PHE 82 HD2 PHE 82 -9.387 -0.693 3.186 515 HE1 PHE 82 HE1 PHE 82 -13.882 0.815 4.500 516 HE2 PHE 82 HE2 PHE 82 -11.372 -1.879 2.341 517 HZ PHE 82 HZ PHE 82 -13.626 -1.124 2.998 518 H SER 83 HN SER 83 -6.606 -0.131 6.885 519 HA SER 83 HA SER 83 -5.057 2.371 6.763 520 HB2 SER 83 HB2 SER 83 -4.685 0.192 8.837 521 HB3 SER 83 HB1 SER 83 -3.841 1.736 8.762 522 HG SER 83 HG SER 83 -6.579 1.968 8.817 523 H ALA 84 HN ALA 84 -2.617 1.792 6.618 524 HA ALA 84 HA ALA 84 -2.419 -0.529 4.810 525 HB1 ALA 84 HB1 ALA 84 -0.622 0.574 3.681 526 HB2 ALA 84 HB2 ALA 84 -0.582 1.851 4.892 527 HB3 ALA 84 HB3 ALA 84 -1.965 1.709 3.810 528 H GLY 85 HN GLY 85 -0.390 -1.722 4.855 529 HA2 GLY 85 HA2 GLY 85 0.639 -1.837 7.624 530 HA3 GLY 85 HA1 GLY 85 0.219 -3.274 6.702 531 H THR 86 HN THR 86 1.951 -4.329 6.113 532 HA THR 86 HA THR 86 4.489 -2.919 5.838 533 HB THR 86 HB THR 86 5.399 -5.272 5.871 534 HG1 THR 86 HG1 THR 86 4.044 -6.934 6.122 535 HG21 THR 86 HG21 THR 86 3.850 -4.124 8.103 536 HG22 THR 86 HG22 THR 86 5.587 -4.099 7.865 537 HG23 THR 86 HG23 THR 86 4.772 -5.598 8.322 538 H SER 87 HN SER 87 5.942 -4.533 4.318 539 HA SER 87 HA SER 87 4.507 -5.071 1.819 540 HB2 SER 87 HB2 SER 87 7.167 -3.623 2.004 541 HB3 SER 87 HB1 SER 87 6.361 -4.108 0.510 542 HG SER 87 HG SER 87 4.960 -2.531 2.353 543 H THR 88 HN THR 88 5.285 -6.879 0.708 544 HA THR 88 HA THR 88 7.496 -8.373 1.912 545 HB THR 88 HB THR 88 6.045 -10.430 1.932 546 HG1 THR 88 HG1 THR 88 4.114 -10.171 1.139 547 HG21 THR 88 HG21 THR 88 5.344 -8.169 3.801 548 HG22 THR 88 HG22 THR 88 6.647 -9.341 4.011 549 HG23 THR 88 HG23 THR 88 4.965 -9.868 4.093 550 H ASP 89 HN ASP 89 6.813 -10.800 0.591 551 HA ASP 89 HA ASP 89 7.110 -11.937 -1.325 552 HB2 ASP 89 HB2 ASP 89 5.042 -10.910 -2.058 553 HB3 ASP 89 HB1 ASP 89 5.911 -9.479 -2.605 554 H VAL 90 HN VAL 90 7.772 -8.707 -2.650 555 HA VAL 90 HA VAL 90 9.974 -9.688 -4.107 556 HB VAL 90 HB VAL 90 10.439 -7.177 -4.478 557 HG11 VAL 90 HG11 VAL 90 8.599 -7.031 -6.080 558 HG12 VAL 90 HG12 VAL 90 7.792 -8.381 -5.281 559 HG13 VAL 90 HG13 VAL 90 9.334 -8.631 -6.099 560 HG21 VAL 90 HG21 VAL 90 7.951 -7.125 -2.822 561 HG22 VAL 90 HG22 VAL 90 8.182 -5.930 -4.094 562 HG23 VAL 90 HG23 VAL 90 9.351 -6.048 -2.776 563 H LEU 91 HN LEU 91 9.770 -7.780 -1.123 564 HA LEU 91 HA LEU 91 12.659 -7.912 -0.821 565 HB2 LEU 91 HB2 LEU 91 12.283 -6.630 1.267 566 HB3 LEU 91 HB1 LEU 91 11.670 -5.830 -0.167 567 HG LEU 91 HG LEU 91 9.781 -7.486 1.428 568 HD11 LEU 91 HD11 LEU 91 10.664 -4.705 2.202 569 HD12 LEU 91 HD12 LEU 91 10.971 -6.180 3.120 570 HD13 LEU 91 HD13 LEU 91 9.319 -5.599 2.910 571 HD21 LEU 91 HD21 LEU 91 8.209 -5.783 0.705 572 HD22 LEU 91 HD22 LEU 91 9.087 -6.443 -0.675 573 HD23 LEU 91 HD23 LEU 91 9.520 -4.859 -0.028 574 H SER 92 HN SER 92 9.841 -9.600 0.233 575 HA SER 92 HA SER 92 11.129 -10.732 2.568 576 HB2 SER 92 HB2 SER 92 8.762 -10.139 2.704 577 HB3 SER 92 HB1 SER 92 8.393 -11.205 1.353 578 HG SER 92 HG SER 92 9.632 -12.216 3.682 579 H SER 93 HN SER 93 9.254 -12.405 0.061 580 HA SER 93 HA SER 93 11.356 -13.977 -0.949 581 HB2 SER 93 HB2 SER 93 10.586 -16.171 0.095 582 HB3 SER 93 HB1 SER 93 11.458 -15.081 1.174 583 HG SER 93 HG SER 93 9.279 -16.121 1.808 584 H GLY 94 HN GLY 94 8.063 -14.816 0.055 585 HA2 GLY 94 HA2 GLY 94 6.904 -14.288 -2.512 586 HA3 GLY 94 HA1 GLY 94 7.152 -16.011 -2.239 587 H THR 95 HN THR 95 5.237 -13.269 -1.503 588 HA THR 95 HA THR 95 3.775 -14.790 0.553 589 HB THR 95 HB THR 95 3.157 -12.605 1.546 590 HG1 THR 95 HG1 THR 95 3.659 -11.464 -0.515 591 HG21 THR 95 HG21 THR 95 6.117 -13.107 1.311 592 HG22 THR 95 HG22 THR 95 5.030 -13.869 2.471 593 HG23 THR 95 HG23 THR 95 5.345 -12.134 2.561 594 H VAL 96 HN VAL 96 3.193 -14.835 -2.278 595 HA VAL 96 HA VAL 96 1.546 -14.501 -3.808 596 HB VAL 96 HB VAL 96 -0.223 -13.662 -1.498 597 HG11 VAL 96 HG11 VAL 96 -2.027 -14.546 -2.916 598 HG12 VAL 96 HG12 VAL 96 -0.852 -14.877 -4.188 599 HG13 VAL 96 HG13 VAL 96 -1.167 -13.214 -3.688 600 HG21 VAL 96 HG21 VAL 96 -0.882 -16.014 -1.314 601 HG22 VAL 96 HG22 VAL 96 0.832 -15.792 -0.959 602 HG23 VAL 96 HG23 VAL 96 0.332 -16.448 -2.518 603 H GLY 97 HN GLY 97 2.999 -12.698 -4.391 604 HA2 GLY 97 HA2 GLY 97 2.024 -10.035 -3.644 605 HA3 GLY 97 HA1 GLY 97 3.546 -10.396 -4.443 606 H SER 98 HN SER 98 1.374 -8.505 -5.123 607 HA SER 98 HA SER 98 0.417 -9.600 -7.654 608 HB2 SER 98 HB2 SER 98 -0.235 -6.960 -6.320 609 HB3 SER 98 HB1 SER 98 -1.049 -7.648 -7.726 610 HG SER 98 HG SER 98 -0.973 -9.379 -5.621 Start of MODEL 11 1 H1 SER 19 HT1 SER 19 19.503 -0.751 -2.749 2 H2 SER 19 HT2 SER 19 21.107 -0.289 -3.028 3 H3 SER 19 HT3 SER 19 19.916 0.044 -4.189 4 HA SER 19 HA SER 19 20.139 1.208 -1.480 5 HB2 SER 19 HB2 SER 19 21.685 2.027 -3.349 6 HB3 SER 19 HB1 SER 19 20.233 2.626 -4.148 7 HG SER 19 HG SER 19 21.491 3.497 -1.799 8 H PHE 20 HN PHE 20 18.449 1.761 -4.601 9 HA PHE 20 HA PHE 20 16.055 2.456 -3.097 10 HB2 PHE 20 HB2 PHE 20 15.073 3.122 -5.226 11 HB3 PHE 20 HB1 PHE 20 16.641 3.879 -5.015 12 HD1 PHE 20 HD1 PHE 20 14.746 1.355 -6.882 13 HD2 PHE 20 HD2 PHE 20 18.461 3.390 -6.494 14 HE1 PHE 20 HE1 PHE 20 15.424 0.525 -9.095 15 HE2 PHE 20 HE2 PHE 20 19.147 2.562 -8.708 16 HZ PHE 20 HZ PHE 20 17.629 1.128 -10.012 17 H VAL 21 HN VAL 21 14.099 1.374 -3.308 18 HA VAL 21 HA VAL 21 14.146 -1.248 -4.566 19 HB VAL 21 HB VAL 21 15.040 -1.859 -2.469 20 HG11 VAL 21 HG11 VAL 21 12.862 -0.289 -1.116 21 HG12 VAL 21 HG12 VAL 21 14.503 0.296 -1.379 22 HG13 VAL 21 HG13 VAL 21 14.224 -1.109 -0.348 23 HG21 VAL 21 HG21 VAL 21 13.058 -3.210 -3.252 24 HG22 VAL 21 HG22 VAL 21 12.094 -2.309 -2.076 25 HG23 VAL 21 HG23 VAL 21 13.429 -3.321 -1.532 26 H GLN 22 HN GLN 22 12.189 -1.956 -5.216 27 HA GLN 22 HA GLN 22 9.858 -0.296 -4.543 28 HB2 GLN 22 HB2 GLN 22 8.800 -1.245 -6.538 29 HB3 GLN 22 HB1 GLN 22 10.341 -0.493 -6.944 30 HG2 GLN 22 HG2 GLN 22 11.395 -2.570 -7.233 31 HG3 GLN 22 HG1 GLN 22 10.087 -3.440 -6.431 32 HE21 GLN 22 HE21 GLN 22 8.226 -3.892 -7.539 33 HE22 GLN 22 HE22 GLN 22 8.093 -3.734 -9.263 34 H CYS 23 HN CYS 23 7.876 -1.343 -3.943 35 HA CYS 23 HA CYS 23 7.978 -4.160 -3.287 36 HB2 CYS 23 HB2 CYS 23 7.481 -3.695 -0.856 37 HB3 CYS 23 HB1 CYS 23 9.127 -3.337 -1.366 38 HG CYS 23 HG CYS 23 8.710 -1.261 0.254 39 H ASN 24 HN ASN 24 5.957 -5.008 -2.599 40 HA ASN 24 HA ASN 24 3.687 -3.568 -3.611 41 HB2 ASN 24 HB2 ASN 24 2.461 -5.636 -2.563 42 HB3 ASN 24 HB1 ASN 24 3.431 -5.837 -4.015 43 HD21 ASN 24 HD21 ASN 24 5.308 -7.000 -3.930 44 HD22 ASN 24 HD22 ASN 24 5.775 -7.950 -2.562 45 H HIS 25 HN HIS 25 2.876 -1.959 -2.489 46 HA HIS 25 HA HIS 25 3.163 -1.772 0.374 47 HB2 HIS 25 HB2 HIS 25 1.583 -0.056 -1.563 48 HB3 HIS 25 HB1 HIS 25 1.849 0.322 0.131 49 HD1 HIS 25 HD1 HIS 25 4.847 -1.019 -1.527 50 HD2 HIS 25 HD2 HIS 25 3.095 2.699 -0.928 51 HE1 HIS 25 HE1 HIS 25 6.639 0.659 -2.047 52 HE2 HIS 25 HE2 HIS 25 5.482 2.890 -1.915 53 H HIS 26 HN HIS 26 1.818 -2.711 1.787 54 HA HIS 26 HA HIS 26 -0.596 -3.951 0.750 55 HB2 HIS 26 HB2 HIS 26 0.897 -4.223 3.352 56 HB3 HIS 26 HB1 HIS 26 -0.698 -4.927 3.120 57 HD1 HIS 26 HD1 HIS 26 -0.464 -7.343 2.700 58 HD2 HIS 26 HD2 HIS 26 2.586 -5.157 0.899 59 HE1 HIS 26 HE1 HIS 26 0.945 -9.020 1.465 60 HE2 HIS 26 HE2 HIS 26 2.898 -7.700 0.588 61 H LEU 27 HN LEU 27 -2.526 -3.089 0.927 62 HA LEU 27 HA LEU 27 -3.081 -1.183 3.093 63 HB2 LEU 27 HB2 LEU 27 -3.738 -0.851 0.576 64 HB3 LEU 27 HB1 LEU 27 -5.024 -1.997 0.928 65 HG LEU 27 HG LEU 27 -5.788 0.341 1.026 66 HD11 LEU 27 HD11 LEU 27 -6.970 0.225 3.116 67 HD12 LEU 27 HD12 LEU 27 -5.792 -0.926 3.758 68 HD13 LEU 27 HD13 LEU 27 -6.860 -1.398 2.429 69 HD21 LEU 27 HD21 LEU 27 -3.703 1.375 1.759 70 HD22 LEU 27 HD22 LEU 27 -3.872 0.605 3.338 71 HD23 LEU 27 HD23 LEU 27 -5.045 1.813 2.816 72 H LEU 28 HN LEU 28 -4.064 -1.932 4.865 73 HA LEU 28 HA LEU 28 -5.071 -4.687 4.794 74 HB2 LEU 28 HB2 LEU 28 -3.338 -3.242 6.603 75 HB3 LEU 28 HB1 LEU 28 -4.700 -3.942 7.456 76 HG LEU 28 HG LEU 28 -2.832 -5.474 7.513 77 HD11 LEU 28 HD11 LEU 28 -4.826 -6.528 5.526 78 HD12 LEU 28 HD12 LEU 28 -5.176 -6.336 7.240 79 HD13 LEU 28 HD13 LEU 28 -3.902 -7.440 6.719 80 HD21 LEU 28 HD21 LEU 28 -1.657 -4.691 5.532 81 HD22 LEU 28 HD22 LEU 28 -2.938 -5.341 4.510 82 HD23 LEU 28 HD23 LEU 28 -1.923 -6.433 5.450 83 H TYR 29 HN TYR 29 -7.089 -5.108 5.263 84 HA TYR 29 HA TYR 29 -8.781 -2.930 6.278 85 HB2 TYR 29 HB2 TYR 29 -9.403 -3.809 4.047 86 HB3 TYR 29 HB1 TYR 29 -9.543 -5.426 4.728 87 HD1 TYR 29 HD1 TYR 29 -10.884 -1.982 5.304 88 HD2 TYR 29 HD2 TYR 29 -11.659 -6.168 5.285 89 HE1 TYR 29 HE1 TYR 29 -13.246 -1.541 5.822 90 HE2 TYR 29 HE2 TYR 29 -14.022 -5.737 5.808 91 HH TYR 29 HH TYR 29 -15.378 -3.960 6.857 92 H ASN 30 HN ASN 30 -10.253 -3.408 7.960 93 HA ASN 30 HA ASN 30 -9.437 -5.125 9.987 94 HB2 ASN 30 HB2 ASN 30 -10.991 -3.291 10.398 95 HB3 ASN 30 HB1 ASN 30 -12.213 -4.062 9.393 96 HD21 ASN 30 HD21 ASN 30 -13.739 -4.202 10.998 97 HD22 ASN 30 HD22 ASN 30 -13.582 -5.277 12.358 98 H GLY 31 HN GLY 31 -9.078 -7.231 9.538 99 HA2 GLY 31 HA2 GLY 31 -10.609 -9.314 9.599 100 HA3 GLY 31 HA1 GLY 31 -11.119 -8.712 8.028 101 H ARG 32 HN ARG 32 -8.837 -7.913 6.833 102 HA ARG 32 HA ARG 32 -6.569 -9.481 7.028 103 HB2 ARG 32 HB2 ARG 32 -8.324 -11.310 6.508 104 HB3 ARG 32 HB1 ARG 32 -8.337 -10.646 4.881 105 HG2 ARG 32 HG2 ARG 32 -6.853 -12.526 4.933 106 HG3 ARG 32 HG1 ARG 32 -5.890 -11.060 4.747 107 HD2 ARG 32 HD2 ARG 32 -4.771 -12.400 6.345 108 HD3 ARG 32 HD1 ARG 32 -5.553 -11.102 7.243 109 HE ARG 32 HE ARG 32 -6.825 -13.745 7.012 110 HH11 ARG 32 HH11 ARG 32 -5.537 -11.143 8.988 111 HH12 ARG 32 HH12 ARG 32 -6.085 -11.848 10.478 112 HH21 ARG 32 HH21 ARG 32 -7.482 -14.689 8.978 113 HH22 ARG 32 HH22 ARG 32 -7.180 -13.853 10.477 114 H HIS 33 HN HIS 33 -5.448 -9.647 4.733 115 HA HIS 33 HA HIS 33 -4.902 -7.300 3.547 116 HB2 HIS 33 HB2 HIS 33 -3.604 -9.096 2.867 117 HB3 HIS 33 HB1 HIS 33 -4.992 -10.114 2.517 118 HD1 HIS 33 HD1 HIS 33 -6.129 -9.829 0.191 119 HD2 HIS 33 HD2 HIS 33 -2.687 -7.548 0.729 120 HE1 HIS 33 HE1 HIS 33 -5.469 -9.047 -2.105 121 HE2 HIS 33 HE2 HIS 33 -3.256 -7.898 -1.776 122 H TRP 34 HN TRP 34 -5.904 -5.828 2.339 123 HA TRP 34 HA TRP 34 -8.411 -6.596 1.010 124 HB2 TRP 34 HB2 TRP 34 -8.316 -4.595 2.609 125 HB3 TRP 34 HB1 TRP 34 -7.391 -3.779 1.352 126 HD1 TRP 34 HD1 TRP 34 -10.907 -4.959 2.190 127 HE1 TRP 34 HE1 TRP 34 -12.558 -3.968 0.486 128 HE3 TRP 34 HE3 TRP 34 -7.563 -2.930 -1.106 129 HZ2 TRP 34 HZ2 TRP 34 -12.462 -2.526 -1.934 130 HZ3 TRP 34 HZ3 TRP 34 -8.430 -1.766 -3.092 131 HH2 TRP 34 HH2 TRP 34 -10.830 -1.570 -3.494 132 H GLY 35 HN GLY 35 -5.478 -4.643 0.404 133 HA2 GLY 35 HA2 GLY 35 -5.255 -5.762 -2.254 134 HA3 GLY 35 HA1 GLY 35 -5.701 -4.061 -2.227 135 H THR 36 HN THR 36 -3.350 -4.913 -3.431 136 HA THR 36 HA THR 36 -1.498 -3.299 -1.923 137 HB THR 36 HB THR 36 -1.134 -5.655 -1.083 138 HG1 THR 36 HG1 THR 36 0.522 -3.845 -1.368 139 HG21 THR 36 HG21 THR 36 -0.093 -6.062 -3.880 140 HG22 THR 36 HG22 THR 36 -1.477 -6.881 -3.152 141 HG23 THR 36 HG23 THR 36 0.150 -7.174 -2.533 142 H ILE 37 HN ILE 37 -0.126 -2.190 -3.236 143 HA ILE 37 HA ILE 37 -0.217 -2.852 -6.096 144 HB ILE 37 HB ILE 37 -0.056 -0.125 -4.797 145 HG12 ILE 37 HG12 ILE 37 -1.957 0.369 -6.388 146 HG13 ILE 37 HG11 ILE 37 -1.998 -1.356 -6.758 147 HG21 ILE 37 HG21 ILE 37 0.256 0.817 -7.043 148 HG22 ILE 37 HG22 ILE 37 0.391 -0.814 -7.701 149 HG23 ILE 37 HG23 ILE 37 1.605 -0.217 -6.571 150 HD11 ILE 37 HD11 ILE 37 -2.590 -1.866 -4.481 151 HD12 ILE 37 HD12 ILE 37 -3.702 -0.665 -5.137 152 HD13 ILE 37 HD13 ILE 37 -2.427 -0.170 -4.028 153 H ARG 38 HN ARG 38 1.661 -3.215 -7.078 154 HA ARG 38 HA ARG 38 4.116 -3.242 -5.610 155 HB2 ARG 38 HB2 ARG 38 3.268 -4.726 -7.623 156 HB3 ARG 38 HB1 ARG 38 3.981 -3.448 -8.597 157 HG2 ARG 38 HG2 ARG 38 5.615 -5.122 -8.397 158 HG3 ARG 38 HG1 ARG 38 6.112 -3.815 -7.320 159 HD2 ARG 38 HD2 ARG 38 6.362 -6.067 -6.312 160 HD3 ARG 38 HD1 ARG 38 5.286 -5.004 -5.404 161 HE ARG 38 HE ARG 38 3.428 -6.231 -6.616 162 HH11 ARG 38 HH11 ARG 38 6.526 -7.742 -6.051 163 HH12 ARG 38 HH12 ARG 38 5.872 -9.340 -5.860 164 HH21 ARG 38 HH21 ARG 38 2.545 -8.334 -6.457 165 HH22 ARG 38 HH22 ARG 38 3.603 -9.684 -6.109 166 H LYS 39 HN LYS 39 4.828 -1.205 -5.060 167 HA LYS 39 HA LYS 39 5.468 0.591 -7.281 168 HB2 LYS 39 HB2 LYS 39 3.262 1.225 -6.190 169 HB3 LYS 39 HB1 LYS 39 4.179 1.593 -4.738 170 HG2 LYS 39 HG2 LYS 39 3.646 3.575 -6.126 171 HG3 LYS 39 HG1 LYS 39 5.374 3.340 -5.854 172 HD2 LYS 39 HD2 LYS 39 4.907 3.955 -8.181 173 HD3 LYS 39 HD1 LYS 39 5.597 2.337 -8.069 174 HE2 LYS 39 HE2 LYS 39 3.849 2.138 -9.618 175 HE3 LYS 39 HE1 LYS 39 3.199 1.484 -8.117 176 HZ1 LYS 39 HZ1 LYS 39 1.583 2.898 -9.163 177 HZ2 LYS 39 HZ2 LYS 39 2.681 4.189 -9.232 178 HZ3 LYS 39 HZ3 LYS 39 2.113 3.646 -7.733 179 H LYS 40 HN LYS 40 7.214 1.961 -6.898 180 HA LYS 40 HA LYS 40 9.255 0.926 -5.265 181 HB2 LYS 40 HB2 LYS 40 9.055 3.636 -6.585 182 HB3 LYS 40 HB1 LYS 40 10.529 2.905 -5.967 183 HG2 LYS 40 HG2 LYS 40 10.248 1.060 -7.586 184 HG3 LYS 40 HG1 LYS 40 8.844 1.899 -8.245 185 HD2 LYS 40 HD2 LYS 40 10.837 2.335 -9.585 186 HD3 LYS 40 HD1 LYS 40 10.254 3.814 -8.816 187 HE2 LYS 40 HE2 LYS 40 11.939 3.614 -7.088 188 HE3 LYS 40 HE1 LYS 40 12.488 2.082 -7.770 189 HZ1 LYS 40 HZ1 LYS 40 12.500 4.560 -9.384 190 HZ2 LYS 40 HZ2 LYS 40 13.412 3.147 -9.603 191 HZ3 LYS 40 HZ3 LYS 40 13.777 4.206 -8.330 192 H ALA 41 HN ALA 41 10.345 1.867 -3.485 193 HA ALA 41 HA ALA 41 8.662 2.901 -1.459 194 HB1 ALA 41 HB1 ALA 41 10.665 3.027 -0.109 195 HB2 ALA 41 HB2 ALA 41 11.676 2.871 -1.544 196 HB3 ALA 41 HB3 ALA 41 10.666 1.521 -1.026 197 H GLY 42 HN GLY 42 8.432 4.941 -0.653 198 HA2 GLY 42 HA2 GLY 42 8.830 7.248 -0.483 199 HA3 GLY 42 HA1 GLY 42 9.915 7.137 -1.861 200 H TRP 43 HN TRP 43 8.191 5.779 -3.624 201 HA TRP 43 HA TRP 43 6.656 7.915 -4.663 202 HB2 TRP 43 HB2 TRP 43 6.812 4.979 -5.325 203 HB3 TRP 43 HB1 TRP 43 5.710 6.062 -6.167 204 HD1 TRP 43 HD1 TRP 43 9.528 5.811 -5.477 205 HE1 TRP 43 HE1 TRP 43 10.760 6.740 -7.543 206 HE3 TRP 43 HE3 TRP 43 5.481 7.278 -8.240 207 HZ2 TRP 43 HZ2 TRP 43 10.097 7.920 -10.018 208 HZ3 TRP 43 HZ3 TRP 43 5.867 8.297 -10.449 209 HH2 TRP 43 HH2 TRP 43 8.127 8.611 -11.315 210 H ALA 44 HN ALA 44 4.684 8.557 -4.170 211 HA ALA 44 HA ALA 44 3.163 7.222 -2.162 212 HB1 ALA 44 HB1 ALA 44 3.330 9.789 -2.852 213 HB2 ALA 44 HB2 ALA 44 1.931 9.115 -2.022 214 HB3 ALA 44 HB3 ALA 44 1.886 9.357 -3.772 215 H VAL 45 HN VAL 45 1.726 5.683 -2.415 216 HA VAL 45 HA VAL 45 0.747 5.141 -5.135 217 HB VAL 45 HB VAL 45 2.193 3.383 -4.065 218 HG11 VAL 45 HG11 VAL 45 -0.186 3.027 -2.256 219 HG12 VAL 45 HG12 VAL 45 1.414 3.590 -1.776 220 HG13 VAL 45 HG13 VAL 45 1.200 1.940 -2.363 221 HG21 VAL 45 HG21 VAL 45 0.743 1.505 -4.714 222 HG22 VAL 45 HG22 VAL 45 0.730 2.817 -5.894 223 HG23 VAL 45 HG23 VAL 45 -0.628 2.615 -4.785 224 H ARG 46 HN ARG 46 -1.438 4.572 -5.419 225 HA ARG 46 HA ARG 46 -3.122 5.832 -3.395 226 HB2 ARG 46 HB2 ARG 46 -4.654 6.353 -5.070 227 HB3 ARG 46 HB1 ARG 46 -3.101 6.554 -5.858 228 HG2 ARG 46 HG2 ARG 46 -4.939 4.184 -6.149 229 HG3 ARG 46 HG1 ARG 46 -4.728 5.483 -7.320 230 HD2 ARG 46 HD2 ARG 46 -2.270 4.800 -7.381 231 HD3 ARG 46 HD1 ARG 46 -2.764 3.340 -6.516 232 HE ARG 46 HE ARG 46 -3.482 4.081 -9.268 233 HH11 ARG 46 HH11 ARG 46 -3.681 1.781 -6.626 234 HH12 ARG 46 HH12 ARG 46 -4.163 0.463 -7.651 235 HH21 ARG 46 HH21 ARG 46 -4.124 2.357 -10.602 236 HH22 ARG 46 HH22 ARG 46 -4.414 0.785 -9.910 237 H PHE 47 HN PHE 47 -4.583 4.778 -2.245 238 HA PHE 47 HA PHE 47 -5.400 2.099 -3.145 239 HB2 PHE 47 HB2 PHE 47 -5.080 3.123 -0.315 240 HB3 PHE 47 HB1 PHE 47 -5.831 1.589 -0.736 241 HD1 PHE 47 HD2 PHE 47 -4.421 -0.128 -1.962 242 HD2 PHE 47 HD1 PHE 47 -2.778 3.286 -0.031 243 HE1 PHE 47 HE2 PHE 47 -2.220 -1.228 -1.897 244 HE2 PHE 47 HE1 PHE 47 -0.581 2.192 0.038 245 HZ PHE 47 HZ PHE 47 -0.299 -0.066 -0.896 246 H TYR 48 HN TYR 48 -7.511 1.898 -3.531 247 HA TYR 48 HA TYR 48 -9.411 3.622 -2.185 248 HB2 TYR 48 HB2 TYR 48 -10.453 4.394 -4.273 249 HB3 TYR 48 HB1 TYR 48 -8.796 4.964 -4.134 250 HD1 TYR 48 HD1 TYR 48 -7.013 3.897 -5.535 251 HD2 TYR 48 HD2 TYR 48 -11.143 3.041 -6.089 252 HE1 TYR 48 HE1 TYR 48 -6.526 3.026 -7.781 253 HE2 TYR 48 HE2 TYR 48 -10.663 2.158 -8.333 254 HH TYR 48 HH TYR 48 -8.895 2.497 -10.082 255 H GLU 49 HN GLU 49 -11.528 2.861 -2.270 256 HA GLU 49 HA GLU 49 -11.582 -0.024 -2.545 257 HB2 GLU 49 HB2 GLU 49 -13.749 0.133 -1.372 258 HB3 GLU 49 HB1 GLU 49 -12.448 0.923 -0.489 259 HG2 GLU 49 HG2 GLU 49 -13.212 3.081 -1.137 260 HG3 GLU 49 HG1 GLU 49 -14.372 2.382 -2.269 261 H GLU 50 HN GLU 50 -12.525 -1.092 -4.109 262 HA GLU 50 HA GLU 50 -14.319 0.339 -5.937 263 HB2 GLU 50 HB2 GLU 50 -12.756 -2.213 -6.384 264 HB3 GLU 50 HB1 GLU 50 -13.816 -1.447 -7.561 265 HG2 GLU 50 HG2 GLU 50 -12.354 0.542 -7.524 266 HG3 GLU 50 HG1 GLU 50 -11.266 -0.318 -6.433 267 H LYS 51 HN LYS 51 -16.289 0.092 -5.153 268 HA LYS 51 HA LYS 51 -17.109 -2.524 -4.131 269 HB2 LYS 51 HB2 LYS 51 -18.537 0.143 -3.996 270 HB3 LYS 51 HB1 LYS 51 -19.031 -1.338 -3.190 271 HG2 LYS 51 HG2 LYS 51 -16.459 0.133 -2.652 272 HG3 LYS 51 HG1 LYS 51 -17.928 0.276 -1.688 273 HD2 LYS 51 HD2 LYS 51 -17.815 -2.064 -1.096 274 HD3 LYS 51 HD1 LYS 51 -16.424 -2.296 -2.158 275 HE2 LYS 51 HE2 LYS 51 -15.743 -2.108 0.190 276 HE3 LYS 51 HE1 LYS 51 -15.100 -0.789 -0.786 277 HZ1 LYS 51 HZ1 LYS 51 -16.875 0.638 0.044 278 HZ2 LYS 51 HZ2 LYS 51 -15.939 0.031 1.312 279 HZ3 LYS 51 HZ3 LYS 51 -17.468 -0.632 1.007 280 HA PRO 52 HA PRO 52 -18.983 -3.381 -8.040 281 HB2 PRO 52 HB2 PRO 52 -20.810 -5.246 -7.145 282 HB3 PRO 52 HB1 PRO 52 -19.120 -5.589 -7.519 283 HG2 PRO 52 HG2 PRO 52 -20.412 -5.107 -4.871 284 HG3 PRO 52 HG1 PRO 52 -19.136 -6.258 -5.308 285 HD2 PRO 52 HD2 PRO 52 -18.599 -3.955 -4.021 286 HD3 PRO 52 HD1 PRO 52 -17.478 -4.653 -5.208 287 H GLY 53 HN GLY 53 -20.274 -1.927 -8.931 288 HA2 GLY 53 HA2 GLY 53 -22.317 -0.959 -9.499 289 HA3 GLY 53 HA1 GLY 53 -23.047 -1.752 -8.117 290 H GLN 54 HN GLN 54 -20.307 -0.267 -7.099 291 HA GLN 54 HA GLN 54 -21.742 2.187 -6.322 292 HB2 GLN 54 HB2 GLN 54 -19.845 0.574 -4.600 293 HB3 GLN 54 HB1 GLN 54 -20.737 2.011 -4.112 294 HG2 GLN 54 HG2 GLN 54 -22.803 0.876 -4.192 295 HG3 GLN 54 HG1 GLN 54 -22.092 -0.502 -5.031 296 HE21 GLN 54 HE21 GLN 54 -22.787 -1.965 -3.520 297 HE22 GLN 54 HE22 GLN 54 -22.103 -2.079 -1.933 298 HA PRO 55 HA PRO 55 -18.164 4.400 -7.723 299 HB2 PRO 55 HB2 PRO 55 -18.088 6.498 -6.030 300 HB3 PRO 55 HB1 PRO 55 -19.333 6.330 -7.271 301 HG2 PRO 55 HG2 PRO 55 -19.480 5.703 -4.346 302 HG3 PRO 55 HG1 PRO 55 -20.668 6.523 -5.378 303 HD2 PRO 55 HD2 PRO 55 -20.884 3.907 -4.690 304 HD3 PRO 55 HD1 PRO 55 -21.478 4.544 -6.235 305 H LYS 56 HN LYS 56 -16.056 5.147 -7.147 306 HA LYS 56 HA LYS 56 -14.909 3.400 -5.082 307 HB2 LYS 56 HB2 LYS 56 -13.641 4.634 -7.535 308 HB3 LYS 56 HB1 LYS 56 -12.860 3.506 -6.428 309 HG2 LYS 56 HG2 LYS 56 -14.150 1.714 -7.144 310 HG3 LYS 56 HG1 LYS 56 -15.399 2.759 -7.827 311 HD2 LYS 56 HD2 LYS 56 -13.891 3.454 -9.578 312 HD3 LYS 56 HD1 LYS 56 -12.592 2.465 -8.896 313 HE2 LYS 56 HE2 LYS 56 -14.303 0.525 -9.165 314 HE3 LYS 56 HE1 LYS 56 -15.104 1.620 -10.290 315 HZ1 LYS 56 HZ1 LYS 56 -12.379 0.477 -10.475 316 HZ2 LYS 56 HZ2 LYS 56 -12.863 1.806 -11.412 317 HZ3 LYS 56 HZ3 LYS 56 -13.660 0.321 -11.579 318 H ARG 57 HN ARG 57 -13.561 4.208 -3.528 319 HA ARG 57 HA ARG 57 -13.181 7.125 -3.504 320 HB2 ARG 57 HB2 ARG 57 -15.211 6.279 -2.179 321 HB3 ARG 57 HB1 ARG 57 -14.042 5.581 -1.066 322 HG2 ARG 57 HG2 ARG 57 -14.868 7.753 -0.306 323 HG3 ARG 57 HG1 ARG 57 -13.127 7.778 -0.608 324 HD2 ARG 57 HD2 ARG 57 -13.424 8.913 -2.677 325 HD3 ARG 57 HD1 ARG 57 -15.167 8.667 -2.635 326 HE ARG 57 HE ARG 57 -14.984 10.136 -0.517 327 HH11 ARG 57 HH11 ARG 57 -12.969 10.458 -3.361 328 HH12 ARG 57 HH12 ARG 57 -12.814 12.186 -3.219 329 HH21 ARG 57 HH21 ARG 57 -14.802 12.393 -0.330 330 HH22 ARG 57 HH22 ARG 57 -13.883 13.296 -1.495 331 H LEU 58 HN LEU 58 -11.247 7.783 -2.780 332 HA LEU 58 HA LEU 58 -9.114 6.014 -2.366 333 HB2 LEU 58 HB2 LEU 58 -9.566 8.922 -2.055 334 HB3 LEU 58 HB1 LEU 58 -8.228 8.255 -1.139 335 HG LEU 58 HG LEU 58 -8.480 7.736 -4.092 336 HD11 LEU 58 HD11 LEU 58 -7.140 10.094 -2.769 337 HD12 LEU 58 HD12 LEU 58 -8.568 10.160 -3.802 338 HD13 LEU 58 HD13 LEU 58 -7.017 9.659 -4.474 339 HD21 LEU 58 HD21 LEU 58 -6.200 7.200 -3.973 340 HD22 LEU 58 HD22 LEU 58 -6.879 6.489 -2.506 341 HD23 LEU 58 HD23 LEU 58 -6.000 8.013 -2.422 342 H VAL 59 HN VAL 59 -8.652 4.764 -0.708 343 HA VAL 59 HA VAL 59 -9.997 5.249 1.830 344 HB VAL 59 HB VAL 59 -9.301 3.004 2.477 345 HG11 VAL 59 HG11 VAL 59 -10.503 3.082 -0.284 346 HG12 VAL 59 HG12 VAL 59 -11.373 3.272 1.236 347 HG13 VAL 59 HG13 VAL 59 -10.601 1.734 0.850 348 HG21 VAL 59 HG21 VAL 59 -8.069 1.540 1.039 349 HG22 VAL 59 HG22 VAL 59 -7.137 3.027 1.239 350 HG23 VAL 59 HG23 VAL 59 -8.042 2.748 -0.245 351 H ALA 60 HN ALA 60 -6.815 5.261 0.389 352 HA ALA 60 HA ALA 60 -5.835 7.098 2.215 353 HB1 ALA 60 HB1 ALA 60 -4.506 5.986 3.720 354 HB2 ALA 60 HB2 ALA 60 -4.459 4.514 2.765 355 HB3 ALA 60 HB3 ALA 60 -5.923 4.940 3.650 356 H ILE 61 HN ILE 61 -3.922 7.964 1.535 357 HA ILE 61 HA ILE 61 -2.637 6.690 -0.766 358 HB ILE 61 HB ILE 61 -2.198 9.513 0.233 359 HG12 ILE 61 HG12 ILE 61 -3.524 10.001 -1.982 360 HG13 ILE 61 HG11 ILE 61 -4.194 8.399 -1.713 361 HG21 ILE 61 HG21 ILE 61 -1.421 9.677 -2.244 362 HG22 ILE 61 HG22 ILE 61 -1.291 7.920 -2.111 363 HG23 ILE 61 HG23 ILE 61 -0.355 8.955 -1.037 364 HD11 ILE 61 HD11 ILE 61 -4.404 10.803 0.074 365 HD12 ILE 61 HD12 ILE 61 -4.883 9.181 0.560 366 HD13 ILE 61 HD13 ILE 61 -5.704 9.975 -0.786 367 H CYS 62 HN CYS 62 -0.883 5.509 -0.291 368 HA CYS 62 HA CYS 62 0.563 6.135 2.185 369 HB2 CYS 62 HB2 CYS 62 0.314 3.399 0.942 370 HB3 CYS 62 HB1 CYS 62 0.840 3.816 2.555 371 H LYS 63 HN LYS 63 2.795 6.015 2.165 372 HA LYS 63 HA LYS 63 4.160 4.836 -0.080 373 HB2 LYS 63 HB2 LYS 63 5.525 6.860 -0.531 374 HB3 LYS 63 HB1 LYS 63 3.840 7.023 -1.001 375 HG2 LYS 63 HG2 LYS 63 3.449 8.261 1.134 376 HG3 LYS 63 HG1 LYS 63 5.200 8.230 1.395 377 HD2 LYS 63 HD2 LYS 63 5.567 9.387 -0.684 378 HD3 LYS 63 HD1 LYS 63 3.844 9.343 -1.055 379 HE2 LYS 63 HE2 LYS 63 5.260 10.935 1.067 380 HE3 LYS 63 HE1 LYS 63 4.292 11.510 -0.291 381 HZ1 LYS 63 HZ1 LYS 63 3.049 11.712 1.735 382 HZ2 LYS 63 HZ2 LYS 63 3.270 10.074 2.095 383 HZ3 LYS 63 HZ3 LYS 63 2.329 10.526 0.761 384 H ASN 64 HN ASN 64 6.538 4.864 0.286 385 HA ASN 64 HA ASN 64 6.917 4.031 3.023 386 HB2 ASN 64 HB2 ASN 64 7.803 2.636 1.235 387 HB3 ASN 64 HB1 ASN 64 8.786 3.973 0.646 388 HD21 ASN 64 HD21 ASN 64 10.655 4.510 1.688 389 HD22 ASN 64 HD22 ASN 64 11.371 3.492 2.903 390 H ALA 65 HN ALA 65 8.350 4.885 4.496 391 HA ALA 65 HA ALA 65 8.477 7.572 4.842 392 HB1 ALA 65 HB1 ALA 65 10.655 5.703 5.756 393 HB2 ALA 65 HB2 ALA 65 9.076 5.841 6.525 394 HB3 ALA 65 HB3 ALA 65 10.168 7.225 6.501 395 H SER 66 HN SER 66 11.205 5.665 3.602 396 HA SER 66 HA SER 66 12.465 8.098 2.617 397 HB2 SER 66 HB2 SER 66 13.541 5.273 2.523 398 HB3 SER 66 HB1 SER 66 14.449 6.780 2.370 399 HG SER 66 HG SER 66 13.495 7.183 4.598 400 HA PRO 67 HA PRO 67 11.181 7.063 -1.545 401 HB2 PRO 67 HB2 PRO 67 12.829 9.137 -2.603 402 HB3 PRO 67 HB1 PRO 67 11.094 9.188 -2.300 403 HG2 PRO 67 HG2 PRO 67 13.005 10.668 -0.941 404 HG3 PRO 67 HG1 PRO 67 11.360 10.345 -0.364 405 HD2 PRO 67 HD2 PRO 67 13.934 9.030 0.387 406 HD3 PRO 67 HD1 PRO 67 12.510 9.386 1.387 407 H VAL 68 HN VAL 68 13.710 5.953 -0.231 408 HA VAL 68 HA VAL 68 15.002 5.135 -2.731 409 HB VAL 68 HB VAL 68 16.655 5.599 -0.264 410 HG11 VAL 68 HG11 VAL 68 17.512 5.588 -3.139 411 HG12 VAL 68 HG12 VAL 68 17.351 4.108 -2.200 412 HG13 VAL 68 HG13 VAL 68 18.499 5.352 -1.695 413 HG21 VAL 68 HG21 VAL 68 17.414 7.721 -1.189 414 HG22 VAL 68 HG22 VAL 68 15.678 7.767 -0.878 415 HG23 VAL 68 HG23 VAL 68 16.275 7.560 -2.524 416 H HIS 69 HN HIS 69 15.595 4.493 0.715 417 HA HIS 69 HA HIS 69 15.517 1.633 0.220 418 HB2 HIS 69 HB2 HIS 69 15.924 3.137 2.809 419 HB3 HIS 69 HB1 HIS 69 16.082 1.407 2.610 420 HD1 HIS 69 HD1 HIS 69 18.473 0.975 2.969 421 HD2 HIS 69 HD2 HIS 69 17.849 4.208 0.432 422 HE1 HIS 69 HE1 HIS 69 20.758 1.669 2.186 423 HE2 HIS 69 HE2 HIS 69 20.365 3.777 0.862 424 H CYS 70 HN CYS 70 14.206 0.233 1.565 425 HA CYS 70 HA CYS 70 11.556 1.412 2.033 426 HB2 CYS 70 HB2 CYS 70 11.702 -0.493 0.435 427 HB3 CYS 70 HB1 CYS 70 12.302 -1.507 1.746 428 HG CYS 70 HG CYS 70 9.875 -1.025 3.272 429 H ASN 71 HN ASN 71 10.815 1.625 4.029 430 HA ASN 71 HA ASN 71 12.130 0.130 6.204 431 HB2 ASN 71 HB2 ASN 71 11.175 3.011 6.276 432 HB3 ASN 71 HB1 ASN 71 11.800 2.119 7.658 433 HD21 ASN 71 HD21 ASN 71 12.751 4.580 6.422 434 HD22 ASN 71 HD22 ASN 71 14.392 4.293 5.962 435 H TYR 72 HN TYR 72 9.456 2.426 6.197 436 HA TYR 72 HA TYR 72 7.503 0.288 6.547 437 HB2 TYR 72 HB2 TYR 72 7.705 2.645 8.446 438 HB3 TYR 72 HB1 TYR 72 6.466 1.399 8.471 439 HD1 TYR 72 HD2 TYR 72 7.224 -1.017 8.914 440 HD2 TYR 72 HD1 TYR 72 9.675 2.375 9.689 441 HE1 TYR 72 HE2 TYR 72 8.605 -2.366 10.438 442 HE2 TYR 72 HE1 TYR 72 11.064 1.033 11.206 443 HH TYR 72 HH TYR 72 11.008 -2.297 11.307 444 H LEU 73 HN LEU 73 5.218 1.485 6.662 445 HA LEU 73 HA LEU 73 5.292 3.256 4.334 446 HB2 LEU 73 HB2 LEU 73 3.070 1.522 5.409 447 HB3 LEU 73 HB1 LEU 73 2.853 2.682 4.113 448 HG LEU 73 HG LEU 73 4.598 0.220 4.056 449 HD11 LEU 73 HD11 LEU 73 3.063 -0.441 2.237 450 HD12 LEU 73 HD12 LEU 73 2.082 0.987 2.576 451 HD13 LEU 73 HD13 LEU 73 2.254 -0.277 3.794 452 HD21 LEU 73 HD21 LEU 73 5.106 0.823 1.746 453 HD22 LEU 73 HD22 LEU 73 5.678 2.066 2.861 454 HD23 LEU 73 HD23 LEU 73 4.203 2.328 1.932 455 H LYS 74 HN LYS 74 4.953 5.273 4.565 456 HA LYS 74 HA LYS 74 3.513 6.355 6.864 457 HB2 LYS 74 HB2 LYS 74 4.907 7.782 4.579 458 HB3 LYS 74 HB1 LYS 74 4.281 8.529 6.039 459 HG2 LYS 74 HG2 LYS 74 6.442 6.448 6.121 460 HG3 LYS 74 HG1 LYS 74 6.791 8.159 5.885 461 HD2 LYS 74 HD2 LYS 74 7.037 7.768 8.198 462 HD3 LYS 74 HD1 LYS 74 5.482 8.579 8.012 463 HE2 LYS 74 HE2 LYS 74 4.324 6.459 8.198 464 HE3 LYS 74 HE1 LYS 74 5.863 5.606 8.304 465 HZ1 LYS 74 HZ1 LYS 74 4.974 7.662 10.252 466 HZ2 LYS 74 HZ2 LYS 74 6.320 6.633 10.382 467 HZ3 LYS 74 HZ3 LYS 74 4.757 5.994 10.465 468 H CYS 75 HN CYS 75 1.355 6.286 6.590 469 HA CYS 75 HA CYS 75 0.336 7.068 3.937 470 HB2 CYS 75 HB2 CYS 75 0.032 4.611 4.582 471 HB3 CYS 75 HB1 CYS 75 -1.138 5.182 5.766 472 H THR 76 HN THR 76 -1.956 7.853 4.050 473 HA THR 76 HA THR 76 -2.791 9.044 6.517 474 HB THR 76 HB THR 76 -0.998 10.605 5.877 475 HG1 THR 76 HG1 THR 76 -2.789 11.470 6.954 476 HG21 THR 76 HG21 THR 76 -2.638 11.086 3.387 477 HG22 THR 76 HG22 THR 76 -1.062 10.295 3.450 478 HG23 THR 76 HG23 THR 76 -1.211 11.999 3.879 479 H ASN 77 HN ASN 77 -4.771 10.358 6.194 480 HA ASN 77 HA ASN 77 -6.904 10.569 5.454 481 HB2 ASN 77 HB2 ASN 77 -5.779 9.760 2.758 482 HB3 ASN 77 HB1 ASN 77 -7.407 10.369 3.033 483 HD21 ASN 77 HD21 ASN 77 -4.086 11.153 2.689 484 HD22 ASN 77 HD22 ASN 77 -4.263 12.871 2.709 485 H LEU 78 HN LEU 78 -5.936 8.153 6.617 486 HA LEU 78 HA LEU 78 -6.789 5.813 5.328 487 HB2 LEU 78 HB2 LEU 78 -6.668 6.445 8.280 488 HB3 LEU 78 HB1 LEU 78 -6.897 4.839 7.616 489 HG LEU 78 HG LEU 78 -4.444 6.538 7.133 490 HD11 LEU 78 HD11 LEU 78 -4.863 4.250 9.054 491 HD12 LEU 78 HD12 LEU 78 -4.632 5.943 9.493 492 HD13 LEU 78 HD13 LEU 78 -3.327 5.049 8.715 493 HD21 LEU 78 HD21 LEU 78 -3.469 4.461 6.326 494 HD22 LEU 78 HD22 LEU 78 -4.907 4.876 5.393 495 HD23 LEU 78 HD23 LEU 78 -4.988 3.616 6.624 496 H ALA 79 HN ALA 79 -8.717 4.713 5.283 497 HA ALA 79 HA ALA 79 -11.066 6.339 5.924 498 HB1 ALA 79 HB1 ALA 79 -12.277 4.841 4.390 499 HB2 ALA 79 HB2 ALA 79 -10.791 3.929 4.125 500 HB3 ALA 79 HB3 ALA 79 -10.892 5.616 3.623 501 H ALA 80 HN ALA 80 -10.418 5.625 8.210 502 HA ALA 80 HA ALA 80 -11.069 4.640 10.136 503 HB1 ALA 80 HB1 ALA 80 -13.313 3.742 10.277 504 HB2 ALA 80 HB2 ALA 80 -13.399 3.619 8.520 505 HB3 ALA 80 HB3 ALA 80 -13.304 5.203 9.289 506 H GLY 81 HN GLY 81 -12.536 2.049 8.271 507 HA2 GLY 81 HA2 GLY 81 -11.046 0.072 9.725 508 HA3 GLY 81 HA1 GLY 81 -12.209 -0.232 8.441 509 H PHE 82 HN PHE 82 -10.652 1.733 6.745 510 HA PHE 82 HA PHE 82 -8.795 -0.226 5.667 511 HB2 PHE 82 HB2 PHE 82 -9.668 2.478 4.629 512 HB3 PHE 82 HB1 PHE 82 -8.579 1.388 3.786 513 HD1 PHE 82 HD2 PHE 82 -9.398 -0.639 2.745 514 HD2 PHE 82 HD1 PHE 82 -12.028 2.029 4.761 515 HE1 PHE 82 HE2 PHE 82 -11.321 -1.738 1.675 516 HE2 PHE 82 HE1 PHE 82 -13.958 0.938 3.692 517 HZ PHE 82 HZ PHE 82 -13.606 -0.951 2.150 518 H SER 83 HN SER 83 -6.871 -0.286 6.568 519 HA SER 83 HA SER 83 -5.394 2.240 6.898 520 HB2 SER 83 HB2 SER 83 -5.160 -0.193 8.692 521 HB3 SER 83 HB1 SER 83 -4.329 1.349 8.894 522 HG SER 83 HG SER 83 -7.015 1.676 8.711 523 H ALA 84 HN ALA 84 -2.880 1.585 7.023 524 HA ALA 84 HA ALA 84 -2.522 -0.390 4.863 525 HB1 ALA 84 HB1 ALA 84 -0.621 0.848 4.097 526 HB2 ALA 84 HB2 ALA 84 -0.691 1.910 5.496 527 HB3 ALA 84 HB3 ALA 84 -1.966 1.975 4.286 528 H GLY 85 HN GLY 85 -0.442 -1.542 4.875 529 HA2 GLY 85 HA2 GLY 85 0.432 -2.066 7.651 530 HA3 GLY 85 HA1 GLY 85 0.107 -3.363 6.507 531 H THR 86 HN THR 86 2.208 -4.159 6.733 532 HA THR 86 HA THR 86 4.460 -2.501 5.986 533 HB THR 86 HB THR 86 4.641 -4.266 7.732 534 HG1 THR 86 HG1 THR 86 6.620 -5.167 6.904 535 HG21 THR 86 HG21 THR 86 3.144 -5.915 6.672 536 HG22 THR 86 HG22 THR 86 4.704 -6.615 7.108 537 HG23 THR 86 HG23 THR 86 4.361 -6.202 5.427 538 H SER 87 HN SER 87 6.042 -3.883 4.391 539 HA SER 87 HA SER 87 4.440 -4.617 2.027 540 HB2 SER 87 HB2 SER 87 7.143 -3.239 2.053 541 HB3 SER 87 HB1 SER 87 6.218 -3.688 0.617 542 HG SER 87 HG SER 87 4.984 -2.088 2.551 543 H THR 88 HN THR 88 5.209 -6.422 0.817 544 HA THR 88 HA THR 88 7.282 -8.014 2.153 545 HB THR 88 HB THR 88 5.817 -9.988 2.190 546 HG1 THR 88 HG1 THR 88 4.019 -9.892 1.108 547 HG21 THR 88 HG21 THR 88 4.857 -7.575 3.717 548 HG22 THR 88 HG22 THR 88 6.019 -8.791 4.244 549 HG23 THR 88 HG23 THR 88 4.319 -9.220 4.052 550 H ASP 89 HN ASP 89 6.579 -10.410 0.820 551 HA ASP 89 HA ASP 89 6.879 -11.614 -1.049 552 HB2 ASP 89 HB2 ASP 89 4.892 -10.477 -1.863 553 HB3 ASP 89 HB1 ASP 89 5.873 -9.141 -2.457 554 H VAL 90 HN VAL 90 7.807 -8.440 -2.409 555 HA VAL 90 HA VAL 90 9.962 -9.634 -3.785 556 HB VAL 90 HB VAL 90 10.637 -7.167 -4.194 557 HG11 VAL 90 HG11 VAL 90 8.851 -6.940 -5.875 558 HG12 VAL 90 HG12 VAL 90 7.976 -8.265 -5.107 559 HG13 VAL 90 HG13 VAL 90 9.546 -8.560 -5.855 560 HG21 VAL 90 HG21 VAL 90 8.024 -6.883 -2.747 561 HG22 VAL 90 HG22 VAL 90 8.525 -5.717 -3.967 562 HG23 VAL 90 HG23 VAL 90 9.520 -5.968 -2.529 563 H LEU 91 HN LEU 91 9.864 -7.514 -0.937 564 HA LEU 91 HA LEU 91 12.716 -7.912 -0.565 565 HB2 LEU 91 HB2 LEU 91 12.499 -6.311 1.294 566 HB3 LEU 91 HB1 LEU 91 11.944 -5.672 -0.237 567 HG LEU 91 HG LEU 91 9.588 -6.509 0.746 568 HD11 LEU 91 HD11 LEU 91 11.211 -5.746 3.170 569 HD12 LEU 91 HD12 LEU 91 10.534 -7.339 2.834 570 HD13 LEU 91 HD13 LEU 91 9.462 -5.968 3.126 571 HD21 LEU 91 HD21 LEU 91 9.222 -4.196 1.455 572 HD22 LEU 91 HD22 LEU 91 10.087 -4.280 -0.080 573 HD23 LEU 91 HD23 LEU 91 10.961 -3.910 1.408 574 H SER 92 HN SER 92 9.686 -8.780 1.024 575 HA SER 92 HA SER 92 10.996 -9.890 3.319 576 HB2 SER 92 HB2 SER 92 8.688 -8.841 3.292 577 HB3 SER 92 HB1 SER 92 8.123 -10.290 2.465 578 HG SER 92 HG SER 92 8.734 -11.517 4.274 579 H SER 93 HN SER 93 9.434 -11.172 0.412 580 HA SER 93 HA SER 93 9.394 -13.217 -0.554 581 HB2 SER 93 HB2 SER 93 11.865 -12.907 -0.477 582 HB3 SER 93 HB1 SER 93 11.893 -13.716 1.088 583 HG SER 93 HG SER 93 12.242 -14.926 -1.081 584 H GLY 94 HN GLY 94 7.465 -13.884 0.425 585 HA2 GLY 94 HA2 GLY 94 7.048 -16.215 1.479 586 HA3 GLY 94 HA1 GLY 94 7.719 -15.441 2.904 587 H THR 95 HN THR 95 5.360 -14.460 0.423 588 HA THR 95 HA THR 95 3.249 -14.378 2.428 589 HB THR 95 HB THR 95 2.567 -12.061 1.523 590 HG1 THR 95 HG1 THR 95 4.714 -12.378 0.096 591 HG21 THR 95 HG21 THR 95 4.986 -12.233 3.308 592 HG22 THR 95 HG22 THR 95 3.328 -12.520 3.832 593 HG23 THR 95 HG23 THR 95 3.807 -10.923 3.257 594 H VAL 96 HN VAL 96 1.119 -13.585 1.203 595 HA VAL 96 HA VAL 96 0.784 -15.183 -1.129 596 HB VAL 96 HB VAL 96 -1.032 -12.958 -0.186 597 HG11 VAL 96 HG11 VAL 96 -1.557 -15.396 -1.883 598 HG12 VAL 96 HG12 VAL 96 -1.504 -13.724 -2.442 599 HG13 VAL 96 HG13 VAL 96 -2.777 -14.244 -1.339 600 HG21 VAL 96 HG21 VAL 96 -0.608 -14.535 1.634 601 HG22 VAL 96 HG22 VAL 96 -1.073 -15.873 0.583 602 HG23 VAL 96 HG23 VAL 96 -2.268 -14.663 1.048 603 H GLY 97 HN GLY 97 0.111 -11.702 -0.888 604 HA2 GLY 97 HA2 GLY 97 1.106 -9.953 -2.084 605 HA3 GLY 97 HA1 GLY 97 1.989 -11.136 -3.039 606 H SER 98 HN SER 98 1.054 -9.228 -4.490 607 HA SER 98 HA SER 98 -1.076 -10.469 -6.012 608 HB2 SER 98 HB2 SER 98 -1.263 -7.553 -5.195 609 HB3 SER 98 HB1 SER 98 -2.434 -8.468 -6.148 610 HG SER 98 HG SER 98 -2.271 -9.878 -4.039 Start of MODEL 12 1 H1 SER 19 HT1 SER 19 19.298 -1.650 -3.075 2 H2 SER 19 HT2 SER 19 20.904 -1.145 -3.286 3 H3 SER 19 HT3 SER 19 19.689 -0.553 -4.309 4 HA SER 19 HA SER 19 19.866 -0.060 -1.400 5 HB2 SER 19 HB2 SER 19 21.632 1.067 -2.794 6 HB3 SER 19 HB1 SER 19 20.344 1.863 -3.695 7 HG SER 19 HG SER 19 21.405 2.939 -1.748 8 H PHE 20 HN PHE 20 18.505 1.383 -4.370 9 HA PHE 20 HA PHE 20 16.067 2.109 -3.046 10 HB2 PHE 20 HB2 PHE 20 16.740 2.079 -5.991 11 HB3 PHE 20 HB1 PHE 20 15.302 2.799 -5.290 12 HD1 PHE 20 HD2 PHE 20 18.978 3.073 -5.511 13 HD2 PHE 20 HD1 PHE 20 15.345 4.952 -4.337 14 HE1 PHE 20 HE2 PHE 20 20.175 5.202 -5.221 15 HE2 PHE 20 HE1 PHE 20 16.536 7.083 -4.044 16 HZ PHE 20 HZ PHE 20 18.954 7.210 -4.483 17 H VAL 21 HN VAL 21 14.169 1.082 -3.064 18 HA VAL 21 HA VAL 21 14.018 -1.505 -4.419 19 HB VAL 21 HB VAL 21 14.824 -2.133 -2.288 20 HG11 VAL 21 HG11 VAL 21 12.705 -0.393 -1.046 21 HG12 VAL 21 HG12 VAL 21 14.406 0.035 -1.220 22 HG13 VAL 21 HG13 VAL 21 13.939 -1.326 -0.196 23 HG21 VAL 21 HG21 VAL 21 12.864 -3.436 -3.099 24 HG22 VAL 21 HG22 VAL 21 11.830 -2.424 -2.086 25 HG23 VAL 21 HG23 VAL 21 13.054 -3.452 -1.344 26 H GLN 22 HN GLN 22 12.069 -2.029 -5.198 27 HA GLN 22 HA GLN 22 9.822 -0.251 -4.556 28 HB2 GLN 22 HB2 GLN 22 8.772 -1.188 -6.622 29 HB3 GLN 22 HB1 GLN 22 10.277 -0.324 -6.922 30 HG2 GLN 22 HG2 GLN 22 10.585 -2.138 -8.249 31 HG3 GLN 22 HG1 GLN 22 11.308 -2.734 -6.757 32 HE21 GLN 22 HE21 GLN 22 7.858 -2.392 -7.275 33 HE22 GLN 22 HE22 GLN 22 7.506 -4.083 -7.293 34 H CYS 23 HN CYS 23 7.842 -1.132 -3.834 35 HA CYS 23 HA CYS 23 7.938 -3.938 -3.021 36 HB2 CYS 23 HB2 CYS 23 7.379 -3.214 -0.651 37 HB3 CYS 23 HB1 CYS 23 9.035 -2.930 -1.179 38 HG CYS 23 HG CYS 23 9.072 -0.411 -0.728 39 H ASN 24 HN ASN 24 5.970 -4.852 -2.500 40 HA ASN 24 HA ASN 24 3.634 -3.550 -3.524 41 HB2 ASN 24 HB2 ASN 24 2.515 -5.652 -2.415 42 HB3 ASN 24 HB1 ASN 24 3.476 -5.839 -3.875 43 HD21 ASN 24 HD21 ASN 24 5.530 -6.749 -3.725 44 HD22 ASN 24 HD22 ASN 24 6.016 -7.697 -2.365 45 H HIS 25 HN HIS 25 2.788 -1.937 -2.443 46 HA HIS 25 HA HIS 25 2.949 -1.709 0.413 47 HB2 HIS 25 HB2 HIS 25 1.372 -0.145 -1.641 48 HB3 HIS 25 HB1 HIS 25 1.448 0.268 0.064 49 HD1 HIS 25 HD1 HIS 25 4.499 -0.771 -1.920 50 HD2 HIS 25 HD2 HIS 25 2.793 2.649 -0.285 51 HE1 HIS 25 HE1 HIS 25 6.237 1.021 -2.142 52 HE2 HIS 25 HE2 HIS 25 5.092 3.121 -1.370 53 H HIS 26 HN HIS 26 1.599 -2.612 1.829 54 HA HIS 26 HA HIS 26 -0.670 -4.103 0.763 55 HB2 HIS 26 HB2 HIS 26 0.898 -4.237 3.318 56 HB3 HIS 26 HB1 HIS 26 -0.702 -4.964 3.223 57 HD1 HIS 26 HD1 HIS 26 0.329 -7.344 3.530 58 HD2 HIS 26 HD2 HIS 26 1.617 -5.317 0.127 59 HE1 HIS 26 HE1 HIS 26 1.405 -9.081 2.068 60 HE2 HIS 26 HE2 HIS 26 2.241 -7.823 0.053 61 H LEU 27 HN LEU 27 -2.711 -3.470 1.010 62 HA LEU 27 HA LEU 27 -3.328 -1.490 3.087 63 HB2 LEU 27 HB2 LEU 27 -4.137 -1.355 0.593 64 HB3 LEU 27 HB1 LEU 27 -5.306 -2.572 1.086 65 HG LEU 27 HG LEU 27 -6.262 -0.311 1.112 66 HD11 LEU 27 HD11 LEU 27 -7.237 -0.357 3.325 67 HD12 LEU 27 HD12 LEU 27 -5.953 -1.431 3.889 68 HD13 LEU 27 HD13 LEU 27 -7.114 -1.996 2.682 69 HD21 LEU 27 HD21 LEU 27 -4.268 0.968 1.604 70 HD22 LEU 27 HD22 LEU 27 -4.175 0.248 3.212 71 HD23 LEU 27 HD23 LEU 27 -5.520 1.310 2.798 72 H LEU 28 HN LEU 28 -4.213 -2.167 4.932 73 HA LEU 28 HA LEU 28 -4.980 -4.994 5.128 74 HB2 LEU 28 HB2 LEU 28 -3.314 -3.343 6.689 75 HB3 LEU 28 HB1 LEU 28 -4.738 -3.664 7.665 76 HG LEU 28 HG LEU 28 -3.017 -5.292 8.144 77 HD11 LEU 28 HD11 LEU 28 -4.246 -7.372 7.679 78 HD12 LEU 28 HD12 LEU 28 -5.308 -6.480 6.587 79 HD13 LEU 28 HD13 LEU 28 -5.280 -6.091 8.307 80 HD21 LEU 28 HD21 LEU 28 -1.669 -5.349 6.241 81 HD22 LEU 28 HD22 LEU 28 -3.028 -5.691 5.175 82 HD23 LEU 28 HD23 LEU 28 -2.434 -6.939 6.272 83 H TYR 29 HN TYR 29 -7.014 -5.510 5.453 84 HA TYR 29 HA TYR 29 -8.897 -3.425 6.333 85 HB2 TYR 29 HB2 TYR 29 -9.246 -4.236 4.003 86 HB3 TYR 29 HB1 TYR 29 -9.450 -5.869 4.622 87 HD1 TYR 29 HD1 TYR 29 -10.847 -2.462 5.297 88 HD2 TYR 29 HD2 TYR 29 -11.629 -6.611 4.772 89 HE1 TYR 29 HE1 TYR 29 -13.255 -2.034 5.556 90 HE2 TYR 29 HE2 TYR 29 -14.039 -6.195 5.028 91 HH TYR 29 HH TYR 29 -15.547 -4.577 5.960 92 H ASN 30 HN ASN 30 -10.537 -4.067 7.788 93 HA ASN 30 HA ASN 30 -9.740 -5.635 9.920 94 HB2 ASN 30 HB2 ASN 30 -12.602 -5.060 9.113 95 HB3 ASN 30 HB1 ASN 30 -12.032 -5.473 10.725 96 HD21 ASN 30 HD21 ASN 30 -10.875 -3.939 11.916 97 HD22 ASN 30 HD22 ASN 30 -10.926 -2.259 11.510 98 H GLY 31 HN GLY 31 -9.109 -7.675 9.578 99 HA2 GLY 31 HA2 GLY 31 -10.340 -9.907 9.733 100 HA3 GLY 31 HA1 GLY 31 -10.941 -9.471 8.140 101 H ARG 32 HN ARG 32 -8.747 -8.475 6.865 102 HA ARG 32 HA ARG 32 -6.443 -10.099 7.095 103 HB2 ARG 32 HB2 ARG 32 -8.262 -11.769 6.387 104 HB3 ARG 32 HB1 ARG 32 -8.262 -10.941 4.839 105 HG2 ARG 32 HG2 ARG 32 -6.904 -12.893 4.666 106 HG3 ARG 32 HG1 ARG 32 -5.851 -11.477 4.610 107 HD2 ARG 32 HD2 ARG 32 -5.344 -11.781 6.992 108 HD3 ARG 32 HD1 ARG 32 -6.367 -13.216 7.020 109 HE ARG 32 HE ARG 32 -4.388 -13.441 5.003 110 HH11 ARG 32 HH11 ARG 32 -4.850 -13.647 8.459 111 HH12 ARG 32 HH12 ARG 32 -3.472 -14.671 8.717 112 HH21 ARG 32 HH21 ARG 32 -2.592 -14.798 5.316 113 HH22 ARG 32 HH22 ARG 32 -2.197 -15.360 6.917 114 H HIS 33 HN HIS 33 -5.096 -9.988 5.058 115 HA HIS 33 HA HIS 33 -4.650 -7.532 3.980 116 HB2 HIS 33 HB2 HIS 33 -3.091 -9.318 3.646 117 HB3 HIS 33 HB1 HIS 33 -4.279 -10.280 2.778 118 HD1 HIS 33 HD1 HIS 33 -4.021 -10.260 0.335 119 HD2 HIS 33 HD2 HIS 33 -2.427 -6.840 2.098 120 HE1 HIS 33 HE1 HIS 33 -2.976 -8.952 -1.543 121 HE2 HIS 33 HE2 HIS 33 -2.195 -6.804 -0.478 122 H TRP 34 HN TRP 34 -5.781 -6.181 2.750 123 HA TRP 34 HA TRP 34 -8.174 -7.160 1.413 124 HB2 TRP 34 HB2 TRP 34 -8.169 -5.103 2.868 125 HB3 TRP 34 HB1 TRP 34 -7.184 -4.311 1.645 126 HD1 TRP 34 HD1 TRP 34 -10.713 -5.769 2.131 127 HE1 TRP 34 HE1 TRP 34 -12.306 -4.627 0.457 128 HE3 TRP 34 HE3 TRP 34 -7.287 -3.045 -0.508 129 HZ2 TRP 34 HZ2 TRP 34 -12.120 -2.819 -1.704 130 HZ3 TRP 34 HZ3 TRP 34 -8.078 -1.640 -2.364 131 HH2 TRP 34 HH2 TRP 34 -10.444 -1.530 -2.947 132 H GLY 35 HN GLY 35 -5.400 -5.089 0.541 133 HA2 GLY 35 HA2 GLY 35 -5.226 -6.357 -2.059 134 HA3 GLY 35 HA1 GLY 35 -5.755 -4.680 -2.093 135 H THR 36 HN THR 36 -3.453 -5.273 -3.403 136 HA THR 36 HA THR 36 -1.603 -3.653 -1.905 137 HB THR 36 HB THR 36 -1.087 -6.026 -1.220 138 HG1 THR 36 HG1 THR 36 0.465 -4.079 -1.568 139 HG21 THR 36 HG21 THR 36 -0.098 -6.244 -4.060 140 HG22 THR 36 HG22 THR 36 -1.487 -7.102 -3.394 141 HG23 THR 36 HG23 THR 36 0.133 -7.437 -2.782 142 H ILE 37 HN ILE 37 -0.257 -2.486 -3.198 143 HA ILE 37 HA ILE 37 -0.186 -3.129 -6.064 144 HB ILE 37 HB ILE 37 -0.193 -0.333 -4.890 145 HG12 ILE 37 HG12 ILE 37 -2.323 -0.137 -6.338 146 HG13 ILE 37 HG11 ILE 37 -2.358 -1.901 -6.280 147 HG21 ILE 37 HG21 ILE 37 -0.154 -1.257 -7.758 148 HG22 ILE 37 HG22 ILE 37 1.183 -0.514 -6.880 149 HG23 ILE 37 HG23 ILE 37 -0.275 0.418 -7.219 150 HD11 ILE 37 HD11 ILE 37 -2.508 -1.813 -3.850 151 HD12 ILE 37 HD12 ILE 37 -3.809 -0.894 -4.605 152 HD13 ILE 37 HD13 ILE 37 -2.428 -0.051 -3.904 153 H ARG 38 HN ARG 38 1.889 -3.325 -6.858 154 HA ARG 38 HA ARG 38 4.058 -2.803 -5.017 155 HB2 ARG 38 HB2 ARG 38 3.892 -4.144 -7.681 156 HB3 ARG 38 HB1 ARG 38 5.453 -3.573 -7.097 157 HG2 ARG 38 HG2 ARG 38 4.747 -4.825 -4.923 158 HG3 ARG 38 HG1 ARG 38 3.694 -5.716 -6.028 159 HD2 ARG 38 HD2 ARG 38 6.692 -5.428 -6.237 160 HD3 ARG 38 HD1 ARG 38 5.820 -6.874 -5.737 161 HE ARG 38 HE ARG 38 5.339 -5.768 -8.412 162 HH11 ARG 38 HH11 ARG 38 6.589 -8.370 -6.391 163 HH12 ARG 38 HH12 ARG 38 6.891 -9.420 -7.746 164 HH21 ARG 38 HH21 ARG 38 5.719 -7.159 -10.155 165 HH22 ARG 38 HH22 ARG 38 6.404 -8.733 -9.883 166 H LYS 39 HN LYS 39 5.010 -1.007 -4.825 167 HA LYS 39 HA LYS 39 5.497 0.719 -7.137 168 HB2 LYS 39 HB2 LYS 39 4.080 1.579 -4.609 169 HB3 LYS 39 HB1 LYS 39 4.830 2.716 -5.718 170 HG2 LYS 39 HG2 LYS 39 2.659 0.781 -6.485 171 HG3 LYS 39 HG1 LYS 39 2.384 2.460 -6.022 172 HD2 LYS 39 HD2 LYS 39 3.716 3.226 -7.893 173 HD3 LYS 39 HD1 LYS 39 4.111 1.562 -8.324 174 HE2 LYS 39 HE2 LYS 39 1.766 1.105 -8.782 175 HE3 LYS 39 HE1 LYS 39 1.339 2.744 -8.296 176 HZ1 LYS 39 HZ1 LYS 39 1.512 2.408 -10.735 177 HZ2 LYS 39 HZ2 LYS 39 3.176 2.123 -10.541 178 HZ3 LYS 39 HZ3 LYS 39 2.519 3.635 -10.134 179 H LYS 40 HN LYS 40 7.224 2.194 -6.803 180 HA LYS 40 HA LYS 40 9.334 1.111 -5.243 181 HB2 LYS 40 HB2 LYS 40 9.210 3.821 -6.568 182 HB3 LYS 40 HB1 LYS 40 10.659 2.948 -6.093 183 HG2 LYS 40 HG2 LYS 40 10.105 1.198 -7.738 184 HG3 LYS 40 HG1 LYS 40 8.722 2.166 -8.257 185 HD2 LYS 40 HD2 LYS 40 10.651 2.515 -9.723 186 HD3 LYS 40 HD1 LYS 40 10.222 3.997 -8.861 187 HE2 LYS 40 HE2 LYS 40 11.973 3.483 -7.195 188 HE3 LYS 40 HE1 LYS 40 12.437 2.079 -8.153 189 HZ1 LYS 40 HZ1 LYS 40 12.597 4.937 -8.951 190 HZ2 LYS 40 HZ2 LYS 40 12.879 3.653 -10.018 191 HZ3 LYS 40 HZ3 LYS 40 13.892 3.882 -8.677 192 H ALA 41 HN ALA 41 10.526 2.167 -3.566 193 HA ALA 41 HA ALA 41 8.954 3.343 -1.534 194 HB1 ALA 41 HB1 ALA 41 11.945 3.177 -1.868 195 HB2 ALA 41 HB2 ALA 41 10.906 2.078 -0.960 196 HB3 ALA 41 HB3 ALA 41 11.130 3.737 -0.409 197 H GLY 42 HN GLY 42 8.762 5.439 -0.858 198 HA2 GLY 42 HA2 GLY 42 9.073 7.761 -0.914 199 HA3 GLY 42 HA1 GLY 42 10.115 7.563 -2.317 200 H TRP 43 HN TRP 43 8.035 5.824 -3.590 201 HA TRP 43 HA TRP 43 6.559 7.958 -4.853 202 HB2 TRP 43 HB2 TRP 43 6.767 4.995 -5.384 203 HB3 TRP 43 HB1 TRP 43 5.680 6.048 -6.286 204 HD1 TRP 43 HD1 TRP 43 9.488 5.769 -5.544 205 HE1 TRP 43 HE1 TRP 43 10.758 6.643 -7.613 206 HE3 TRP 43 HE3 TRP 43 5.493 7.262 -8.359 207 HZ2 TRP 43 HZ2 TRP 43 10.125 7.806 -10.117 208 HZ3 TRP 43 HZ3 TRP 43 5.906 8.240 -10.577 209 HH2 TRP 43 HH2 TRP 43 8.176 8.505 -11.436 210 H ALA 44 HN ALA 44 4.514 8.484 -4.518 211 HA ALA 44 HA ALA 44 3.103 7.263 -2.337 212 HB1 ALA 44 HB1 ALA 44 3.221 9.789 -3.141 213 HB2 ALA 44 HB2 ALA 44 1.822 9.142 -2.292 214 HB3 ALA 44 HB3 ALA 44 1.786 9.304 -4.049 215 H VAL 45 HN VAL 45 1.652 5.699 -2.468 216 HA VAL 45 HA VAL 45 0.703 4.921 -5.148 217 HB VAL 45 HB VAL 45 2.082 3.256 -3.841 218 HG11 VAL 45 HG11 VAL 45 -0.373 3.180 -2.097 219 HG12 VAL 45 HG12 VAL 45 1.242 3.707 -1.621 220 HG13 VAL 45 HG13 VAL 45 0.953 2.017 -2.043 221 HG21 VAL 45 HG21 VAL 45 0.679 1.345 -4.386 222 HG22 VAL 45 HG22 VAL 45 0.593 2.564 -5.659 223 HG23 VAL 45 HG23 VAL 45 -0.733 2.398 -4.508 224 H ARG 46 HN ARG 46 -1.481 4.182 -5.352 225 HA ARG 46 HA ARG 46 -3.265 5.696 -3.612 226 HB2 ARG 46 HB2 ARG 46 -4.749 5.820 -5.365 227 HB3 ARG 46 HB1 ARG 46 -3.233 5.714 -6.243 228 HG2 ARG 46 HG2 ARG 46 -5.025 3.362 -5.677 229 HG3 ARG 46 HG1 ARG 46 -5.073 4.312 -7.158 230 HD2 ARG 46 HD2 ARG 46 -2.843 3.647 -7.730 231 HD3 ARG 46 HD1 ARG 46 -2.619 2.867 -6.162 232 HE ARG 46 HE ARG 46 -4.385 1.279 -6.871 233 HH11 ARG 46 HH11 ARG 46 -2.690 3.114 -9.330 234 HH12 ARG 46 HH12 ARG 46 -2.859 1.886 -10.549 235 HH21 ARG 46 HH21 ARG 46 -4.628 -0.325 -8.475 236 HH22 ARG 46 HH22 ARG 46 -3.949 -0.079 -10.055 237 H PHE 47 HN PHE 47 -4.774 4.796 -2.317 238 HA PHE 47 HA PHE 47 -5.488 1.984 -2.785 239 HB2 PHE 47 HB2 PHE 47 -5.165 3.335 -0.088 240 HB3 PHE 47 HB1 PHE 47 -5.881 1.745 -0.332 241 HD1 PHE 47 HD1 PHE 47 -4.365 0.022 -1.589 242 HD2 PHE 47 HD2 PHE 47 -2.941 3.495 0.418 243 HE1 PHE 47 HE1 PHE 47 -2.148 -1.016 -1.377 244 HE2 PHE 47 HE2 PHE 47 -0.719 2.461 0.629 245 HZ PHE 47 HZ PHE 47 -0.319 0.205 -0.267 246 H TYR 48 HN TYR 48 -7.620 1.797 -3.199 247 HA TYR 48 HA TYR 48 -9.439 3.769 -2.055 248 HB2 TYR 48 HB2 TYR 48 -10.531 4.118 -4.279 249 HB3 TYR 48 HB1 TYR 48 -8.917 4.799 -4.155 250 HD1 TYR 48 HD2 TYR 48 -10.809 1.892 -5.494 251 HD2 TYR 48 HD1 TYR 48 -7.256 4.220 -5.711 252 HE1 TYR 48 HE2 TYR 48 -10.166 0.711 -7.548 253 HE2 TYR 48 HE1 TYR 48 -6.606 3.042 -7.768 254 HH TYR 48 HH TYR 48 -8.780 1.053 -9.501 255 H GLU 49 HN GLU 49 -11.575 3.153 -1.962 256 HA GLU 49 HA GLU 49 -11.983 0.277 -1.911 257 HB2 GLU 49 HB2 GLU 49 -14.138 0.872 -0.818 258 HB3 GLU 49 HB1 GLU 49 -12.750 1.570 0.009 259 HG2 GLU 49 HG2 GLU 49 -13.171 3.713 -1.055 260 HG3 GLU 49 HG1 GLU 49 -14.529 3.016 -1.935 261 H GLU 50 HN GLU 50 -13.045 -0.806 -3.432 262 HA GLU 50 HA GLU 50 -14.700 0.720 -5.317 263 HB2 GLU 50 HB2 GLU 50 -13.201 -1.863 -5.764 264 HB3 GLU 50 HB1 GLU 50 -14.367 -1.194 -6.898 265 HG2 GLU 50 HG2 GLU 50 -12.898 0.911 -6.849 266 HG3 GLU 50 HG1 GLU 50 -11.678 -0.139 -6.128 267 H LYS 51 HN LYS 51 -16.650 0.608 -4.488 268 HA LYS 51 HA LYS 51 -17.720 -1.825 -3.352 269 HB2 LYS 51 HB2 LYS 51 -19.064 0.811 -4.002 270 HB3 LYS 51 HB1 LYS 51 -19.749 -0.481 -3.029 271 HG2 LYS 51 HG2 LYS 51 -17.195 0.901 -2.261 272 HG3 LYS 51 HG1 LYS 51 -18.783 1.522 -1.805 273 HD2 LYS 51 HD2 LYS 51 -19.282 -0.613 -0.693 274 HD3 LYS 51 HD1 LYS 51 -17.671 -1.196 -1.116 275 HE2 LYS 51 HE2 LYS 51 -16.643 0.534 0.206 276 HE3 LYS 51 HE1 LYS 51 -18.211 1.268 0.531 277 HZ1 LYS 51 HZ1 LYS 51 -18.843 -0.755 1.732 278 HZ2 LYS 51 HZ2 LYS 51 -17.486 -0.009 2.419 279 HZ3 LYS 51 HZ3 LYS 51 -17.295 -1.399 1.473 280 HA PRO 52 HA PRO 52 -19.004 -3.580 -7.207 281 HB2 PRO 52 HB2 PRO 52 -21.342 -4.562 -5.644 282 HB3 PRO 52 HB1 PRO 52 -20.196 -5.463 -6.643 283 HG2 PRO 52 HG2 PRO 52 -20.059 -5.566 -3.984 284 HG3 PRO 52 HG1 PRO 52 -18.588 -5.525 -4.973 285 HD2 PRO 52 HD2 PRO 52 -19.864 -3.347 -3.377 286 HD3 PRO 52 HD1 PRO 52 -18.142 -3.697 -3.636 287 H GLY 53 HN GLY 53 -19.812 -2.279 -8.717 288 HA2 GLY 53 HA2 GLY 53 -21.549 -1.395 -10.006 289 HA3 GLY 53 HA1 GLY 53 -22.637 -1.611 -8.644 290 H GLN 54 HN GLN 54 -20.099 -0.191 -7.302 291 HA GLN 54 HA GLN 54 -21.237 2.503 -7.648 292 HB2 GLN 54 HB2 GLN 54 -19.984 1.212 -5.216 293 HB3 GLN 54 HB1 GLN 54 -20.576 2.869 -5.291 294 HG2 GLN 54 HG2 GLN 54 -22.786 2.220 -5.371 295 HG3 GLN 54 HG1 GLN 54 -22.391 0.609 -5.980 296 HE21 GLN 54 HE21 GLN 54 -21.870 -0.998 -4.568 297 HE22 GLN 54 HE22 GLN 54 -22.024 -0.849 -2.849 298 HA PRO 55 HA PRO 55 -17.249 4.065 -8.748 299 HB2 PRO 55 HB2 PRO 55 -17.143 6.446 -7.481 300 HB3 PRO 55 HB1 PRO 55 -18.200 6.148 -8.863 301 HG2 PRO 55 HG2 PRO 55 -18.860 6.129 -5.941 302 HG3 PRO 55 HG1 PRO 55 -19.762 6.853 -7.287 303 HD2 PRO 55 HD2 PRO 55 -20.440 4.470 -6.209 304 HD3 PRO 55 HD1 PRO 55 -20.668 4.833 -7.932 305 H LYS 56 HN LYS 56 -15.118 4.584 -8.016 306 HA LYS 56 HA LYS 56 -14.507 3.305 -5.479 307 HB2 LYS 56 HB2 LYS 56 -12.214 3.219 -6.258 308 HB3 LYS 56 HB1 LYS 56 -13.286 2.602 -7.504 309 HG2 LYS 56 HG2 LYS 56 -12.230 5.416 -7.500 310 HG3 LYS 56 HG1 LYS 56 -11.394 4.076 -8.283 311 HD2 LYS 56 HD2 LYS 56 -13.385 3.690 -9.682 312 HD3 LYS 56 HD1 LYS 56 -14.179 5.063 -8.907 313 HE2 LYS 56 HE2 LYS 56 -12.250 6.475 -9.695 314 HE3 LYS 56 HE1 LYS 56 -11.724 5.090 -10.649 315 HZ1 LYS 56 HZ1 LYS 56 -14.337 6.481 -10.895 316 HZ2 LYS 56 HZ2 LYS 56 -13.853 5.136 -11.806 317 HZ3 LYS 56 HZ3 LYS 56 -13.036 6.612 -11.975 318 H ARG 57 HN ARG 57 -13.279 4.237 -3.864 319 HA ARG 57 HA ARG 57 -12.886 7.148 -3.987 320 HB2 ARG 57 HB2 ARG 57 -15.055 6.863 -2.973 321 HB3 ARG 57 HB1 ARG 57 -14.441 5.627 -1.888 322 HG2 ARG 57 HG2 ARG 57 -13.144 8.261 -1.692 323 HG3 ARG 57 HG1 ARG 57 -14.831 8.178 -1.180 324 HD2 ARG 57 HD2 ARG 57 -14.312 6.388 0.358 325 HD3 ARG 57 HD1 ARG 57 -12.647 6.338 -0.214 326 HE ARG 57 HE ARG 57 -12.800 8.849 0.624 327 HH11 ARG 57 HH11 ARG 57 -13.907 5.883 2.134 328 HH12 ARG 57 HH12 ARG 57 -13.680 6.473 3.757 329 HH21 ARG 57 HH21 ARG 57 -12.493 9.632 2.758 330 HH22 ARG 57 HH22 ARG 57 -12.873 8.610 4.111 331 H LEU 58 HN LEU 58 -11.017 7.805 -3.093 332 HA LEU 58 HA LEU 58 -9.008 5.999 -2.395 333 HB2 LEU 58 HB2 LEU 58 -9.354 8.943 -2.229 334 HB3 LEU 58 HB1 LEU 58 -8.052 8.238 -1.294 335 HG LEU 58 HG LEU 58 -8.335 7.676 -4.235 336 HD11 LEU 58 HD11 LEU 58 -6.856 9.957 -2.927 337 HD12 LEU 58 HD12 LEU 58 -8.258 10.097 -3.988 338 HD13 LEU 58 HD13 LEU 58 -6.728 9.491 -4.623 339 HD21 LEU 58 HD21 LEU 58 -6.112 6.976 -4.102 340 HD22 LEU 58 HD22 LEU 58 -6.833 6.352 -2.614 341 HD23 LEU 58 HD23 LEU 58 -5.846 7.810 -2.573 342 H VAL 59 HN VAL 59 -8.718 4.825 -0.664 343 HA VAL 59 HA VAL 59 -9.948 5.636 1.869 344 HB VAL 59 HB VAL 59 -9.621 3.363 2.634 345 HG11 VAL 59 HG11 VAL 59 -10.740 3.312 -0.158 346 HG12 VAL 59 HG12 VAL 59 -11.600 3.898 1.263 347 HG13 VAL 59 HG13 VAL 59 -11.122 2.205 1.162 348 HG21 VAL 59 HG21 VAL 59 -8.659 1.629 1.219 349 HG22 VAL 59 HG22 VAL 59 -7.485 2.913 1.525 350 HG23 VAL 59 HG23 VAL 59 -8.312 2.826 -0.029 351 H ALA 60 HN ALA 60 -6.952 5.449 0.252 352 HA ALA 60 HA ALA 60 -5.616 6.781 2.344 353 HB1 ALA 60 HB1 ALA 60 -4.844 3.900 1.929 354 HB2 ALA 60 HB2 ALA 60 -5.520 4.626 3.383 355 HB3 ALA 60 HB3 ALA 60 -3.907 5.081 2.849 356 H ILE 61 HN ILE 61 -4.049 7.938 1.507 357 HA ILE 61 HA ILE 61 -2.716 6.978 -0.939 358 HB ILE 61 HB ILE 61 -2.604 9.766 0.251 359 HG12 ILE 61 HG12 ILE 61 -3.803 10.240 -2.049 360 HG13 ILE 61 HG11 ILE 61 -4.319 8.565 -1.897 361 HG21 ILE 61 HG21 ILE 61 -1.657 8.853 -2.456 362 HG22 ILE 61 HG22 ILE 61 -0.612 8.918 -1.041 363 HG23 ILE 61 HG23 ILE 61 -1.348 10.399 -1.660 364 HD11 ILE 61 HD11 ILE 61 -4.890 10.830 -0.005 365 HD12 ILE 61 HD12 ILE 61 -5.269 9.143 0.322 366 HD13 ILE 61 HD13 ILE 61 -6.036 9.968 -1.032 367 H CYS 62 HN CYS 62 -0.831 5.954 -0.518 368 HA CYS 62 HA CYS 62 0.556 6.695 1.965 369 HB2 CYS 62 HB2 CYS 62 -0.979 4.678 2.221 370 HB3 CYS 62 HB1 CYS 62 0.126 3.823 1.148 371 H LYS 63 HN LYS 63 2.761 6.286 2.048 372 HA LYS 63 HA LYS 63 4.086 5.011 -0.171 373 HB2 LYS 63 HB2 LYS 63 5.533 6.994 -0.631 374 HB3 LYS 63 HB1 LYS 63 3.867 7.170 -1.158 375 HG2 LYS 63 HG2 LYS 63 3.449 8.433 0.976 376 HG3 LYS 63 HG1 LYS 63 5.201 8.439 1.212 377 HD2 LYS 63 HD2 LYS 63 5.525 9.567 -0.884 378 HD3 LYS 63 HD1 LYS 63 3.800 9.469 -1.248 379 HE2 LYS 63 HE2 LYS 63 3.971 11.617 -0.478 380 HE3 LYS 63 HE1 LYS 63 3.548 10.760 1.002 381 HZ1 LYS 63 HZ1 LYS 63 5.349 12.252 1.455 382 HZ2 LYS 63 HZ2 LYS 63 6.269 11.617 0.181 383 HZ3 LYS 63 HZ3 LYS 63 5.939 10.666 1.541 384 H ASN 64 HN ASN 64 6.491 5.041 0.185 385 HA ASN 64 HA ASN 64 6.829 4.178 2.923 386 HB2 ASN 64 HB2 ASN 64 7.621 2.759 1.079 387 HB3 ASN 64 HB1 ASN 64 8.724 4.033 0.568 388 HD21 ASN 64 HD21 ASN 64 10.618 4.340 1.646 389 HD22 ASN 64 HD22 ASN 64 11.198 3.246 2.868 390 H ALA 65 HN ALA 65 8.206 5.045 4.415 391 HA ALA 65 HA ALA 65 8.452 7.740 4.629 392 HB1 ALA 65 HB1 ALA 65 10.422 5.762 5.768 393 HB2 ALA 65 HB2 ALA 65 8.843 6.129 6.456 394 HB3 ALA 65 HB3 ALA 65 10.081 7.381 6.380 395 H SER 66 HN SER 66 11.126 5.616 3.638 396 HA SER 66 HA SER 66 12.587 7.910 2.573 397 HB2 SER 66 HB2 SER 66 13.896 6.430 3.968 398 HB3 SER 66 HB1 SER 66 13.375 5.019 3.050 399 HG SER 66 HG SER 66 15.455 6.663 2.592 400 HA PRO 67 HA PRO 67 11.593 6.639 -1.609 401 HB2 PRO 67 HB2 PRO 67 13.717 8.283 -2.625 402 HB3 PRO 67 HB1 PRO 67 11.988 8.629 -2.606 403 HG2 PRO 67 HG2 PRO 67 13.858 10.003 -1.125 404 HG3 PRO 67 HG1 PRO 67 12.137 9.894 -0.714 405 HD2 PRO 67 HD2 PRO 67 14.454 8.349 0.383 406 HD3 PRO 67 HD1 PRO 67 13.040 9.016 1.229 407 H VAL 68 HN VAL 68 14.347 5.858 0.091 408 HA VAL 68 HA VAL 68 15.644 4.557 -2.206 409 HB VAL 68 HB VAL 68 16.819 4.778 0.554 410 HG11 VAL 68 HG11 VAL 68 18.260 4.627 -2.072 411 HG12 VAL 68 HG12 VAL 68 17.666 3.181 -1.264 412 HG13 VAL 68 HG13 VAL 68 18.849 4.216 -0.459 413 HG21 VAL 68 HG21 VAL 68 18.021 6.769 -0.182 414 HG22 VAL 68 HG22 VAL 68 16.279 7.044 -0.224 415 HG23 VAL 68 HG23 VAL 68 17.162 6.734 -1.721 416 H HIS 69 HN HIS 69 15.640 3.671 1.224 417 HA HIS 69 HA HIS 69 15.066 0.910 0.447 418 HB2 HIS 69 HB2 HIS 69 15.964 2.082 3.080 419 HB3 HIS 69 HB1 HIS 69 15.610 0.384 2.835 420 HD1 HIS 69 HD1 HIS 69 18.263 2.880 2.481 421 HD2 HIS 69 HD2 HIS 69 17.459 -0.952 1.084 422 HE1 HIS 69 HE1 HIS 69 20.458 1.997 1.618 423 HE2 HIS 69 HE2 HIS 69 19.983 -0.395 0.961 424 H CYS 70 HN CYS 70 13.620 -0.325 1.952 425 HA CYS 70 HA CYS 70 11.169 1.239 2.303 426 HB2 CYS 70 HB2 CYS 70 10.057 -1.024 2.371 427 HB3 CYS 70 HB1 CYS 70 10.851 -0.637 0.849 428 HG CYS 70 HG CYS 70 13.205 -2.114 2.282 429 H ASN 71 HN ASN 71 10.468 1.751 4.253 430 HA ASN 71 HA ASN 71 11.553 0.286 6.578 431 HB2 ASN 71 HB2 ASN 71 10.864 3.240 6.469 432 HB3 ASN 71 HB1 ASN 71 11.495 2.373 7.864 433 HD21 ASN 71 HD21 ASN 71 12.550 4.696 6.494 434 HD22 ASN 71 HD22 ASN 71 14.147 4.262 5.964 435 H TYR 72 HN TYR 72 9.217 2.888 6.505 436 HA TYR 72 HA TYR 72 7.078 1.007 7.231 437 HB2 TYR 72 HB2 TYR 72 7.228 3.824 8.295 438 HB3 TYR 72 HB1 TYR 72 6.236 2.496 8.872 439 HD1 TYR 72 HD1 TYR 72 7.715 0.381 9.682 440 HD2 TYR 72 HD2 TYR 72 9.006 4.434 9.605 441 HE1 TYR 72 HE1 TYR 72 9.402 -0.128 11.396 442 HE2 TYR 72 HE2 TYR 72 10.697 3.935 11.317 443 HH TYR 72 HH TYR 72 11.692 0.900 12.078 444 H LEU 73 HN LEU 73 4.900 2.018 6.852 445 HA LEU 73 HA LEU 73 4.989 3.555 4.355 446 HB2 LEU 73 HB2 LEU 73 2.949 1.681 5.509 447 HB3 LEU 73 HB1 LEU 73 2.521 2.816 4.244 448 HG LEU 73 HG LEU 73 4.430 0.493 4.087 449 HD11 LEU 73 HD11 LEU 73 2.957 -0.065 2.149 450 HD12 LEU 73 HD12 LEU 73 1.907 1.274 2.624 451 HD13 LEU 73 HD13 LEU 73 2.145 -0.093 3.713 452 HD21 LEU 73 HD21 LEU 73 5.505 2.403 3.014 453 HD22 LEU 73 HD22 LEU 73 4.049 2.703 2.066 454 HD23 LEU 73 HD23 LEU 73 4.976 1.224 1.814 455 H LYS 74 HN LYS 74 4.453 5.572 4.369 456 HA LYS 74 HA LYS 74 3.006 6.698 6.657 457 HB2 LYS 74 HB2 LYS 74 4.428 8.126 4.395 458 HB3 LYS 74 HB1 LYS 74 3.825 8.851 5.876 459 HG2 LYS 74 HG2 LYS 74 5.978 6.756 5.847 460 HG3 LYS 74 HG1 LYS 74 6.318 8.479 5.716 461 HD2 LYS 74 HD2 LYS 74 6.590 7.997 7.986 462 HD3 LYS 74 HD1 LYS 74 4.985 8.726 7.883 463 HE2 LYS 74 HE2 LYS 74 3.960 6.527 7.955 464 HE3 LYS 74 HE1 LYS 74 5.552 5.767 7.986 465 HZ1 LYS 74 HZ1 LYS 74 4.635 5.874 10.196 466 HZ2 LYS 74 HZ2 LYS 74 4.414 7.552 10.071 467 HZ3 LYS 74 HZ3 LYS 74 5.982 6.900 10.096 468 H CYS 75 HN CYS 75 0.851 6.539 6.308 469 HA CYS 75 HA CYS 75 -0.127 7.132 3.597 470 HB2 CYS 75 HB2 CYS 75 -1.832 5.707 5.587 471 HB3 CYS 75 HB1 CYS 75 -1.798 5.569 3.837 472 H THR 76 HN THR 76 -1.852 8.507 3.325 473 HA THR 76 HA THR 76 -2.819 9.893 5.729 474 HB THR 76 HB THR 76 -1.136 11.277 4.475 475 HG1 THR 76 HG1 THR 76 -2.869 12.198 5.745 476 HG21 THR 76 HG21 THR 76 -3.268 11.265 2.335 477 HG22 THR 76 HG22 THR 76 -1.651 10.575 2.202 478 HG23 THR 76 HG23 THR 76 -1.856 12.320 2.359 479 H ASN 77 HN ASN 77 -4.931 10.827 5.508 480 HA ASN 77 HA ASN 77 -7.131 10.775 4.977 481 HB2 ASN 77 HB2 ASN 77 -6.288 11.705 2.830 482 HB3 ASN 77 HB1 ASN 77 -6.201 10.073 2.188 483 HD21 ASN 77 HD21 ASN 77 -7.666 10.450 0.579 484 HD22 ASN 77 HD22 ASN 77 -9.352 10.682 0.864 485 H LEU 78 HN LEU 78 -6.618 8.745 6.342 486 HA LEU 78 HA LEU 78 -7.040 6.204 5.052 487 HB2 LEU 78 HB2 LEU 78 -7.059 7.012 7.963 488 HB3 LEU 78 HB1 LEU 78 -7.230 5.361 7.402 489 HG LEU 78 HG LEU 78 -4.806 7.070 6.845 490 HD11 LEU 78 HD11 LEU 78 -5.233 4.967 8.966 491 HD12 LEU 78 HD12 LEU 78 -5.046 6.698 9.245 492 HD13 LEU 78 HD13 LEU 78 -3.702 5.761 8.593 493 HD21 LEU 78 HD21 LEU 78 -3.771 4.975 6.214 494 HD22 LEU 78 HD22 LEU 78 -5.237 5.215 5.264 495 HD23 LEU 78 HD23 LEU 78 -5.242 4.092 6.623 496 H ALA 79 HN ALA 79 -8.885 4.798 5.521 497 HA ALA 79 HA ALA 79 -11.351 6.367 5.902 498 HB1 ALA 79 HB1 ALA 79 -12.483 4.765 4.436 499 HB2 ALA 79 HB2 ALA 79 -10.960 3.913 4.194 500 HB3 ALA 79 HB3 ALA 79 -11.142 5.569 3.622 501 H ALA 80 HN ALA 80 -10.850 5.894 8.206 502 HA ALA 80 HA ALA 80 -11.421 4.919 10.161 503 HB1 ALA 80 HB1 ALA 80 -13.479 3.650 10.250 504 HB2 ALA 80 HB2 ALA 80 -13.437 3.410 8.505 505 HB3 ALA 80 HB3 ALA 80 -13.662 5.029 9.165 506 H GLY 81 HN GLY 81 -12.376 1.981 8.533 507 HA2 GLY 81 HA2 GLY 81 -10.487 0.469 10.104 508 HA3 GLY 81 HA1 GLY 81 -11.689 -0.183 8.999 509 H PHE 82 HN PHE 82 -10.719 1.651 6.851 510 HA PHE 82 HA PHE 82 -8.774 -0.118 5.726 511 HB2 PHE 82 HB2 PHE 82 -9.828 2.551 4.784 512 HB3 PHE 82 HB1 PHE 82 -8.708 1.560 3.863 513 HD1 PHE 82 HD2 PHE 82 -9.437 -0.524 2.847 514 HD2 PHE 82 HD1 PHE 82 -12.148 1.968 4.978 515 HE1 PHE 82 HE2 PHE 82 -11.325 -1.723 1.833 516 HE2 PHE 82 HE1 PHE 82 -14.048 0.769 3.965 517 HZ PHE 82 HZ PHE 82 -13.637 -1.078 2.387 518 H SER 83 HN SER 83 -6.805 -0.144 6.505 519 HA SER 83 HA SER 83 -5.257 2.338 6.420 520 HB2 SER 83 HB2 SER 83 -5.082 0.346 8.703 521 HB3 SER 83 HB1 SER 83 -4.155 1.836 8.538 522 HG SER 83 HG SER 83 -6.755 2.405 8.325 523 H ALA 84 HN ALA 84 -2.823 1.692 6.499 524 HA ALA 84 HA ALA 84 -2.635 -0.600 4.666 525 HB1 ALA 84 HB1 ALA 84 -0.575 0.461 3.836 526 HB2 ALA 84 HB2 ALA 84 -0.817 1.786 4.974 527 HB3 ALA 84 HB3 ALA 84 -1.983 1.509 3.683 528 H GLY 85 HN GLY 85 -0.412 -1.643 4.665 529 HA2 GLY 85 HA2 GLY 85 0.648 -1.940 7.391 530 HA3 GLY 85 HA1 GLY 85 0.055 -3.363 6.545 531 H THR 86 HN THR 86 2.338 -3.979 7.045 532 HA THR 86 HA THR 86 4.497 -2.669 5.744 533 HB THR 86 HB THR 86 4.751 -4.053 7.782 534 HG1 THR 86 HG1 THR 86 6.545 -3.661 6.291 535 HG21 THR 86 HG21 THR 86 3.167 -5.842 6.930 536 HG22 THR 86 HG22 THR 86 4.620 -6.409 7.751 537 HG23 THR 86 HG23 THR 86 4.527 -6.460 5.989 538 H SER 87 HN SER 87 6.003 -3.998 4.315 539 HA SER 87 HA SER 87 4.410 -4.931 2.028 540 HB2 SER 87 HB2 SER 87 7.201 -3.755 2.057 541 HB3 SER 87 HB1 SER 87 6.273 -4.196 0.623 542 HG SER 87 HG SER 87 5.319 -2.338 2.530 543 H THR 88 HN THR 88 5.277 -6.645 0.717 544 HA THR 88 HA THR 88 7.115 -8.478 2.097 545 HB THR 88 HB THR 88 5.530 -10.349 1.571 546 HG1 THR 88 HG1 THR 88 4.179 -8.248 0.510 547 HG21 THR 88 HG21 THR 88 4.612 -8.234 3.522 548 HG22 THR 88 HG22 THR 88 5.715 -9.572 3.852 549 HG23 THR 88 HG23 THR 88 4.018 -9.895 3.493 550 H ASP 89 HN ASP 89 6.580 -10.668 0.397 551 HA ASP 89 HA ASP 89 6.964 -11.602 -1.617 552 HB2 ASP 89 HB2 ASP 89 5.066 -10.597 -2.505 553 HB3 ASP 89 HB1 ASP 89 5.763 -8.983 -2.438 554 H VAL 90 HN VAL 90 7.880 -8.320 -2.592 555 HA VAL 90 HA VAL 90 10.131 -9.266 -3.977 556 HB VAL 90 HB VAL 90 10.729 -6.729 -3.992 557 HG11 VAL 90 HG11 VAL 90 9.109 -6.368 -5.788 558 HG12 VAL 90 HG12 VAL 90 8.194 -7.776 -5.251 559 HG13 VAL 90 HG13 VAL 90 9.826 -7.977 -5.891 560 HG21 VAL 90 HG21 VAL 90 8.008 -6.784 -2.728 561 HG22 VAL 90 HG22 VAL 90 8.523 -5.430 -3.725 562 HG23 VAL 90 HG23 VAL 90 9.426 -5.840 -2.265 563 H LEU 91 HN LEU 91 9.771 -7.644 -0.854 564 HA LEU 91 HA LEU 91 12.607 -7.962 -0.338 565 HB2 LEU 91 HB2 LEU 91 12.072 -6.907 1.869 566 HB3 LEU 91 HB1 LEU 91 11.745 -5.916 0.465 567 HG LEU 91 HG LEU 91 9.498 -7.493 1.637 568 HD11 LEU 91 HD11 LEU 91 10.540 -4.889 2.753 569 HD12 LEU 91 HD12 LEU 91 10.561 -6.448 3.577 570 HD13 LEU 91 HD13 LEU 91 9.024 -5.668 3.202 571 HD21 LEU 91 HD21 LEU 91 8.212 -5.571 0.879 572 HD22 LEU 91 HD22 LEU 91 9.190 -6.224 -0.435 573 HD23 LEU 91 HD23 LEU 91 9.696 -4.752 0.396 574 H SER 92 HN SER 92 9.580 -9.513 0.561 575 HA SER 92 HA SER 92 10.942 -11.019 2.655 576 HB2 SER 92 HB2 SER 92 8.016 -11.099 1.914 577 HB3 SER 92 HB1 SER 92 8.761 -11.678 3.405 578 HG SER 92 HG SER 92 9.250 -9.564 3.963 579 H SER 93 HN SER 93 8.419 -12.108 0.377 580 HA SER 93 HA SER 93 10.124 -14.136 -0.740 581 HB2 SER 93 HB2 SER 93 9.555 -15.109 1.475 582 HB3 SER 93 HB1 SER 93 7.845 -14.990 1.064 583 HG SER 93 HG SER 93 9.819 -16.714 0.071 584 H GLY 94 HN GLY 94 6.667 -13.547 -0.088 585 HA2 GLY 94 HA2 GLY 94 5.868 -12.719 -2.583 586 HA3 GLY 94 HA1 GLY 94 5.847 -14.477 -2.667 587 H THR 95 HN THR 95 3.748 -12.189 -2.509 588 HA THR 95 HA THR 95 2.029 -13.639 -0.632 589 HB THR 95 HB THR 95 0.965 -11.362 -0.094 590 HG1 THR 95 HG1 THR 95 3.335 -10.067 -0.239 591 HG21 THR 95 HG21 THR 95 3.722 -11.924 0.994 592 HG22 THR 95 HG22 THR 95 2.253 -12.763 1.495 593 HG23 THR 95 HG23 THR 95 2.426 -11.034 1.795 594 H VAL 96 HN VAL 96 -0.017 -13.971 -1.321 595 HA VAL 96 HA VAL 96 -0.631 -13.286 -4.056 596 HB VAL 96 HB VAL 96 -2.673 -14.644 -3.730 597 HG11 VAL 96 HG11 VAL 96 -1.547 -16.801 -3.438 598 HG12 VAL 96 HG12 VAL 96 -0.130 -15.969 -2.796 599 HG13 VAL 96 HG13 VAL 96 -0.619 -15.715 -4.471 600 HG21 VAL 96 HG21 VAL 96 -1.617 -15.032 -0.928 601 HG22 VAL 96 HG22 VAL 96 -2.972 -15.907 -1.642 602 HG23 VAL 96 HG23 VAL 96 -3.088 -14.168 -1.375 603 H GLY 97 HN GLY 97 -2.858 -12.493 -4.597 604 HA2 GLY 97 HA2 GLY 97 -4.758 -11.214 -3.459 605 HA3 GLY 97 HA1 GLY 97 -3.458 -10.204 -2.838 606 H SER 98 HN SER 98 -1.824 -10.130 -5.088 607 HA SER 98 HA SER 98 -3.421 -9.231 -7.326 608 HB2 SER 98 HB2 SER 98 -3.172 -7.244 -5.777 609 HB3 SER 98 HB1 SER 98 -1.431 -7.346 -6.036 610 HG SER 98 HG SER 98 -2.072 -7.234 -8.378 Start of MODEL 13 1 H1 SER 19 HT1 SER 19 20.967 -0.593 -3.582 2 H2 SER 19 HT2 SER 19 19.381 -0.995 -4.027 3 H3 SER 19 HT3 SER 19 19.766 -0.739 -2.395 4 HA SER 19 HA SER 19 20.173 1.552 -2.761 5 HB2 SER 19 HB2 SER 19 19.752 2.508 -5.047 6 HB3 SER 19 HB1 SER 19 21.163 1.456 -4.960 7 HG SER 19 HG SER 19 19.941 0.951 -6.783 8 H PHE 20 HN PHE 20 18.145 2.812 -4.529 9 HA PHE 20 HA PHE 20 15.899 2.647 -2.883 10 HB2 PHE 20 HB2 PHE 20 14.696 3.766 -4.830 11 HB3 PHE 20 HB1 PHE 20 16.096 4.604 -4.178 12 HD1 PHE 20 HD2 PHE 20 18.189 4.693 -5.447 13 HD2 PHE 20 HD1 PHE 20 14.675 2.920 -7.063 14 HE1 PHE 20 HE2 PHE 20 19.172 4.813 -7.697 15 HE2 PHE 20 HE1 PHE 20 15.650 3.040 -9.319 16 HZ PHE 20 HZ PHE 20 17.904 3.987 -9.638 17 H VAL 21 HN VAL 21 14.117 1.445 -2.872 18 HA VAL 21 HA VAL 21 14.106 -0.833 -4.729 19 HB VAL 21 HB VAL 21 15.003 -1.692 -2.736 20 HG11 VAL 21 HG11 VAL 21 12.783 -0.356 -1.206 21 HG12 VAL 21 HG12 VAL 21 14.433 0.247 -1.347 22 HG13 VAL 21 HG13 VAL 21 14.121 -1.288 -0.534 23 HG21 VAL 21 HG21 VAL 21 13.091 -3.003 -3.704 24 HG22 VAL 21 HG22 VAL 21 12.069 -2.294 -2.449 25 HG23 VAL 21 HG23 VAL 21 13.433 -3.318 -2.004 26 H GLN 22 HN GLN 22 12.199 -1.534 -5.503 27 HA GLN 22 HA GLN 22 9.789 -0.052 -4.750 28 HB2 GLN 22 HB2 GLN 22 8.853 -1.186 -6.848 29 HB3 GLN 22 HB1 GLN 22 10.078 0.051 -7.087 30 HG2 GLN 22 HG2 GLN 22 11.082 -1.425 -8.405 31 HG3 GLN 22 HG1 GLN 22 11.579 -2.230 -6.921 32 HE21 GLN 22 HE21 GLN 22 8.828 -3.112 -6.328 33 HE22 GLN 22 HE22 GLN 22 8.522 -4.420 -7.416 34 H CYS 23 HN CYS 23 7.918 -1.126 -4.073 35 HA CYS 23 HA CYS 23 8.044 -3.996 -3.654 36 HB2 CYS 23 HB2 CYS 23 7.612 -3.674 -1.179 37 HB3 CYS 23 HB1 CYS 23 9.243 -3.307 -1.727 38 HG CYS 23 HG CYS 23 9.323 -0.903 -0.837 39 H ASN 24 HN ASN 24 6.026 -4.891 -2.832 40 HA ASN 24 HA ASN 24 3.745 -3.373 -3.743 41 HB2 ASN 24 HB2 ASN 24 2.511 -5.510 -2.871 42 HB3 ASN 24 HB1 ASN 24 3.439 -5.586 -4.359 43 HD21 ASN 24 HD21 ASN 24 5.205 -6.893 -4.466 44 HD22 ASN 24 HD22 ASN 24 5.680 -7.967 -3.200 45 H HIS 25 HN HIS 25 2.693 -2.026 -2.522 46 HA HIS 25 HA HIS 25 3.088 -2.030 0.363 47 HB2 HIS 25 HB2 HIS 25 1.460 -0.158 -1.381 48 HB3 HIS 25 HB1 HIS 25 1.814 0.081 0.322 49 HD1 HIS 25 HD1 HIS 25 4.780 -1.149 -1.335 50 HD2 HIS 25 HD2 HIS 25 2.946 2.546 -0.877 51 HE1 HIS 25 HE1 HIS 25 6.549 0.548 -1.871 52 HE2 HIS 25 HE2 HIS 25 5.347 2.759 -1.813 53 H HIS 26 HN HIS 26 1.745 -3.067 1.705 54 HA HIS 26 HA HIS 26 -0.684 -4.214 0.575 55 HB2 HIS 26 HB2 HIS 26 0.830 -4.760 3.131 56 HB3 HIS 26 HB1 HIS 26 -0.729 -5.493 2.775 57 HD1 HIS 26 HD1 HIS 26 -0.144 -7.880 2.322 58 HD2 HIS 26 HD2 HIS 26 2.364 -5.227 0.322 59 HE1 HIS 26 HE1 HIS 26 1.292 -9.296 0.818 60 HE2 HIS 26 HE2 HIS 26 2.884 -7.679 -0.282 61 H LEU 27 HN LEU 27 -2.658 -3.567 1.010 62 HA LEU 27 HA LEU 27 -3.077 -1.496 3.048 63 HB2 LEU 27 HB2 LEU 27 -3.885 -1.336 0.586 64 HB3 LEU 27 HB1 LEU 27 -5.108 -2.509 1.052 65 HG LEU 27 HG LEU 27 -5.965 -0.203 1.040 66 HD11 LEU 27 HD11 LEU 27 -7.036 -0.208 3.205 67 HD12 LEU 27 HD12 LEU 27 -5.825 -1.333 3.826 68 HD13 LEU 27 HD13 LEU 27 -6.954 -1.852 2.567 69 HD21 LEU 27 HD21 LEU 27 -3.938 0.984 1.621 70 HD22 LEU 27 HD22 LEU 27 -3.959 0.273 3.234 71 HD23 LEU 27 HD23 LEU 27 -5.233 1.389 2.747 72 H LEU 28 HN LEU 28 -4.061 -1.971 4.899 73 HA LEU 28 HA LEU 28 -5.078 -4.709 5.226 74 HB2 LEU 28 HB2 LEU 28 -3.065 -3.364 6.610 75 HB3 LEU 28 HB1 LEU 28 -4.453 -3.310 7.683 76 HG LEU 28 HG LEU 28 -3.146 -5.226 8.230 77 HD11 LEU 28 HD11 LEU 28 -4.754 -7.034 7.902 78 HD12 LEU 28 HD12 LEU 28 -5.600 -6.049 6.710 79 HD13 LEU 28 HD13 LEU 28 -5.534 -5.531 8.394 80 HD21 LEU 28 HD21 LEU 28 -1.862 -5.597 6.297 81 HD22 LEU 28 HD22 LEU 28 -3.297 -5.811 5.297 82 HD23 LEU 28 HD23 LEU 28 -2.860 -7.041 6.486 83 H TYR 29 HN TYR 29 -7.168 -4.806 5.399 84 HA TYR 29 HA TYR 29 -8.705 -2.532 6.414 85 HB2 TYR 29 HB2 TYR 29 -9.521 -3.463 4.324 86 HB3 TYR 29 HB1 TYR 29 -9.515 -5.088 4.997 87 HD1 TYR 29 HD1 TYR 29 -10.992 -1.762 5.907 88 HD2 TYR 29 HD2 TYR 29 -11.585 -5.949 5.460 89 HE1 TYR 29 HE1 TYR 29 -13.349 -1.493 6.564 90 HE2 TYR 29 HE2 TYR 29 -13.937 -5.693 6.118 91 HH TYR 29 HH TYR 29 -15.468 -2.631 6.367 92 H ASN 30 HN ASN 30 -9.694 -2.618 8.394 93 HA ASN 30 HA ASN 30 -8.835 -4.409 10.329 94 HB2 ASN 30 HB2 ASN 30 -11.306 -2.679 10.255 95 HB3 ASN 30 HB1 ASN 30 -10.860 -3.641 11.662 96 HD21 ASN 30 HD21 ASN 30 -11.097 -0.824 11.623 97 HD22 ASN 30 HD22 ASN 30 -9.529 -0.165 11.959 98 H GLY 31 HN GLY 31 -9.003 -6.485 10.177 99 HA2 GLY 31 HA2 GLY 31 -10.847 -8.280 10.454 100 HA3 GLY 31 HA1 GLY 31 -11.356 -7.666 8.883 101 H ARG 32 HN ARG 32 -9.207 -7.324 7.433 102 HA ARG 32 HA ARG 32 -7.117 -9.183 7.660 103 HB2 ARG 32 HB2 ARG 32 -8.953 -10.821 7.269 104 HB3 ARG 32 HB1 ARG 32 -9.301 -10.031 5.737 105 HG2 ARG 32 HG2 ARG 32 -8.004 -12.042 5.376 106 HG3 ARG 32 HG1 ARG 32 -7.055 -10.619 4.939 107 HD2 ARG 32 HD2 ARG 32 -6.053 -10.733 7.254 108 HD3 ARG 32 HD1 ARG 32 -6.816 -12.315 7.413 109 HE ARG 32 HE ARG 32 -5.371 -12.365 5.045 110 HH11 ARG 32 HH11 ARG 32 -4.731 -12.014 8.476 111 HH12 ARG 32 HH12 ARG 32 -3.110 -12.638 8.367 112 HH21 ARG 32 HH21 ARG 32 -3.246 -13.197 4.899 113 HH22 ARG 32 HH22 ARG 32 -2.266 -13.323 6.330 114 H HIS 33 HN HIS 33 -5.716 -9.190 5.787 115 HA HIS 33 HA HIS 33 -5.132 -7.027 4.342 116 HB2 HIS 33 HB2 HIS 33 -3.700 -8.834 4.078 117 HB3 HIS 33 HB1 HIS 33 -5.006 -9.950 3.714 118 HD1 HIS 33 HD1 HIS 33 -5.771 -10.136 1.259 119 HD2 HIS 33 HD2 HIS 33 -2.661 -7.442 1.852 120 HE1 HIS 33 HE1 HIS 33 -4.875 -9.631 -1.023 121 HE2 HIS 33 HE2 HIS 33 -2.843 -8.219 -0.610 122 H TRP 34 HN TRP 34 -5.958 -5.801 2.752 123 HA TRP 34 HA TRP 34 -8.417 -6.728 1.456 124 HB2 TRP 34 HB2 TRP 34 -8.254 -4.469 2.677 125 HB3 TRP 34 HB1 TRP 34 -7.298 -3.935 1.296 126 HD1 TRP 34 HD1 TRP 34 -10.856 -4.818 2.317 127 HE1 TRP 34 HE1 TRP 34 -12.471 -4.107 0.442 128 HE3 TRP 34 HE3 TRP 34 -7.433 -3.559 -1.275 129 HZ2 TRP 34 HZ2 TRP 34 -12.315 -3.139 -2.203 130 HZ3 TRP 34 HZ3 TRP 34 -8.252 -2.746 -3.449 131 HH2 TRP 34 HH2 TRP 34 -10.644 -2.541 -3.900 132 H GLY 35 HN GLY 35 -5.388 -5.021 0.591 133 HA2 GLY 35 HA2 GLY 35 -5.047 -6.628 -1.763 134 HA3 GLY 35 HA1 GLY 35 -5.651 -5.025 -2.153 135 H THR 36 HN THR 36 -3.366 -5.408 -3.312 136 HA THR 36 HA THR 36 -1.571 -3.671 -1.860 137 HB THR 36 HB THR 36 -0.924 -5.989 -1.134 138 HG1 THR 36 HG1 THR 36 0.537 -4.013 -1.573 139 HG21 THR 36 HG21 THR 36 -0.034 -6.260 -4.004 140 HG22 THR 36 HG22 THR 36 -1.363 -7.149 -3.260 141 HG23 THR 36 HG23 THR 36 0.292 -7.404 -2.702 142 H ILE 37 HN ILE 37 -0.135 -2.548 -3.180 143 HA ILE 37 HA ILE 37 -0.125 -3.193 -6.044 144 HB ILE 37 HB ILE 37 -0.358 -0.371 -4.951 145 HG12 ILE 37 HG12 ILE 37 -2.510 -0.423 -6.415 146 HG13 ILE 37 HG11 ILE 37 -2.397 -2.173 -6.231 147 HG21 ILE 37 HG21 ILE 37 -0.250 -1.374 -7.793 148 HG22 ILE 37 HG22 ILE 37 1.011 -0.476 -6.947 149 HG23 ILE 37 HG23 ILE 37 -0.531 0.299 -7.307 150 HD11 ILE 37 HD11 ILE 37 -2.539 -1.937 -3.818 151 HD12 ILE 37 HD12 ILE 37 -3.913 -1.170 -4.610 152 HD13 ILE 37 HD13 ILE 37 -2.597 -0.181 -3.982 153 H ARG 38 HN ARG 38 1.895 -3.052 -6.969 154 HA ARG 38 HA ARG 38 4.126 -2.564 -5.224 155 HB2 ARG 38 HB2 ARG 38 3.825 -3.478 -8.046 156 HB3 ARG 38 HB1 ARG 38 5.377 -2.826 -7.537 157 HG2 ARG 38 HG2 ARG 38 5.378 -4.470 -5.671 158 HG3 ARG 38 HG1 ARG 38 3.928 -5.192 -6.375 159 HD2 ARG 38 HD2 ARG 38 6.577 -4.887 -7.790 160 HD3 ARG 38 HD1 ARG 38 6.015 -6.366 -7.014 161 HE ARG 38 HE ARG 38 4.019 -5.977 -8.687 162 HH11 ARG 38 HH11 ARG 38 7.461 -5.621 -9.287 163 HH12 ARG 38 HH12 ARG 38 7.323 -5.952 -10.988 164 HH21 ARG 38 HH21 ARG 38 3.850 -6.452 -10.893 165 HH22 ARG 38 HH22 ARG 38 5.273 -6.461 -11.895 166 H LYS 39 HN LYS 39 5.275 -0.807 -4.979 167 HA LYS 39 HA LYS 39 5.359 1.244 -7.035 168 HB2 LYS 39 HB2 LYS 39 3.364 1.760 -5.573 169 HB3 LYS 39 HB1 LYS 39 4.481 1.946 -4.227 170 HG2 LYS 39 HG2 LYS 39 3.907 4.107 -5.135 171 HG3 LYS 39 HG1 LYS 39 5.612 3.763 -5.434 172 HD2 LYS 39 HD2 LYS 39 4.683 4.713 -7.433 173 HD3 LYS 39 HD1 LYS 39 4.978 2.998 -7.728 174 HE2 LYS 39 HE2 LYS 39 2.572 2.579 -7.175 175 HE3 LYS 39 HE1 LYS 39 2.340 4.326 -7.126 176 HZ1 LYS 39 HZ1 LYS 39 3.149 2.688 -9.464 177 HZ2 LYS 39 HZ2 LYS 39 3.172 4.386 -9.459 178 HZ3 LYS 39 HZ3 LYS 39 1.706 3.554 -9.267 179 H LYS 40 HN LYS 40 7.159 2.605 -6.817 180 HA LYS 40 HA LYS 40 9.376 1.460 -5.419 181 HB2 LYS 40 HB2 LYS 40 9.236 4.139 -6.817 182 HB3 LYS 40 HB1 LYS 40 10.687 3.220 -6.437 183 HG2 LYS 40 HG2 LYS 40 9.940 1.456 -7.986 184 HG3 LYS 40 HG1 LYS 40 8.547 2.454 -8.410 185 HD2 LYS 40 HD2 LYS 40 10.302 2.719 -10.069 186 HD3 LYS 40 HD1 LYS 40 10.074 4.227 -9.178 187 HE2 LYS 40 HE2 LYS 40 12.001 3.716 -7.784 188 HE3 LYS 40 HE1 LYS 40 12.217 2.175 -8.612 189 HZ1 LYS 40 HZ1 LYS 40 12.534 4.898 -9.758 190 HZ2 LYS 40 HZ2 LYS 40 12.531 3.487 -10.701 191 HZ3 LYS 40 HZ3 LYS 40 13.740 3.730 -9.541 192 H ALA 41 HN ALA 41 10.587 2.400 -3.742 193 HA ALA 41 HA ALA 41 9.149 3.668 -1.695 194 HB1 ALA 41 HB1 ALA 41 12.120 3.411 -2.120 195 HB2 ALA 41 HB2 ALA 41 11.076 2.332 -1.196 196 HB3 ALA 41 HB3 ALA 41 11.366 3.974 -0.629 197 H GLY 42 HN GLY 42 8.999 5.750 -1.025 198 HA2 GLY 42 HA2 GLY 42 9.430 8.066 -1.050 199 HA3 GLY 42 HA1 GLY 42 10.362 7.853 -2.525 200 H TRP 43 HN TRP 43 8.106 6.174 -3.614 201 HA TRP 43 HA TRP 43 6.470 8.427 -4.532 202 HB2 TRP 43 HB2 TRP 43 6.793 5.666 -5.741 203 HB3 TRP 43 HB1 TRP 43 5.919 7.017 -6.458 204 HD1 TRP 43 HD1 TRP 43 9.471 5.773 -5.775 205 HE1 TRP 43 HE1 TRP 43 11.120 7.120 -7.218 206 HE3 TRP 43 HE3 TRP 43 6.235 9.260 -7.644 207 HZ2 TRP 43 HZ2 TRP 43 11.052 9.364 -8.923 208 HZ3 TRP 43 HZ3 TRP 43 7.114 10.975 -9.173 209 HH2 TRP 43 HH2 TRP 43 9.476 11.023 -9.796 210 H ALA 44 HN ALA 44 4.293 8.465 -4.236 211 HA ALA 44 HA ALA 44 3.249 6.621 -2.277 212 HB1 ALA 44 HB1 ALA 44 2.228 9.142 -3.516 213 HB2 ALA 44 HB2 ALA 44 2.562 8.774 -1.822 214 HB3 ALA 44 HB3 ALA 44 1.149 8.083 -2.612 215 H VAL 45 HN VAL 45 1.279 5.531 -2.502 216 HA VAL 45 HA VAL 45 0.644 4.715 -5.258 217 HB VAL 45 HB VAL 45 2.070 3.034 -4.055 218 HG11 VAL 45 HG11 VAL 45 -0.353 2.734 -2.291 219 HG12 VAL 45 HG12 VAL 45 1.222 3.364 -1.800 220 HG13 VAL 45 HG13 VAL 45 1.060 1.678 -2.296 221 HG21 VAL 45 HG21 VAL 45 0.763 1.108 -4.704 222 HG22 VAL 45 HG22 VAL 45 0.562 2.403 -5.885 223 HG23 VAL 45 HG23 VAL 45 -0.711 2.080 -4.710 224 H ARG 46 HN ARG 46 -1.524 4.037 -5.586 225 HA ARG 46 HA ARG 46 -3.349 5.463 -3.849 226 HB2 ARG 46 HB2 ARG 46 -4.836 5.503 -5.607 227 HB3 ARG 46 HB1 ARG 46 -3.320 5.389 -6.481 228 HG2 ARG 46 HG2 ARG 46 -5.061 3.016 -5.836 229 HG3 ARG 46 HG1 ARG 46 -5.162 3.930 -7.337 230 HD2 ARG 46 HD2 ARG 46 -2.950 3.288 -7.966 231 HD3 ARG 46 HD1 ARG 46 -2.633 2.601 -6.371 232 HE ARG 46 HE ARG 46 -4.435 0.951 -6.955 233 HH11 ARG 46 HH11 ARG 46 -2.581 2.526 -9.478 234 HH12 ARG 46 HH12 ARG 46 -2.705 1.187 -10.576 235 HH21 ARG 46 HH21 ARG 46 -4.590 -0.811 -8.379 236 HH22 ARG 46 HH22 ARG 46 -3.835 -0.725 -9.948 237 H PHE 47 HN PHE 47 -4.734 4.591 -2.425 238 HA PHE 47 HA PHE 47 -5.405 1.745 -2.749 239 HB2 PHE 47 HB2 PHE 47 -5.065 3.269 -0.152 240 HB3 PHE 47 HB1 PHE 47 -5.768 1.661 -0.277 241 HD1 PHE 47 HD2 PHE 47 -4.247 -0.061 -1.615 242 HD2 PHE 47 HD1 PHE 47 -2.850 3.415 0.400 243 HE1 PHE 47 HE2 PHE 47 -2.012 -1.068 -1.438 244 HE2 PHE 47 HE1 PHE 47 -0.614 2.408 0.589 245 HZ PHE 47 HZ PHE 47 -0.192 0.165 -0.329 246 H TYR 48 HN TYR 48 -7.509 1.334 -2.953 247 HA TYR 48 HA TYR 48 -9.484 3.305 -2.117 248 HB2 TYR 48 HB2 TYR 48 -10.523 3.337 -4.373 249 HB3 TYR 48 HB1 TYR 48 -8.911 4.045 -4.372 250 HD1 TYR 48 HD1 TYR 48 -7.040 2.867 -5.442 251 HD2 TYR 48 HD2 TYR 48 -10.994 1.309 -5.584 252 HE1 TYR 48 HE1 TYR 48 -6.373 1.354 -7.257 253 HE2 TYR 48 HE2 TYR 48 -10.334 -0.216 -7.396 254 HH TYR 48 HH TYR 48 -8.625 -0.403 -9.117 255 H GLU 49 HN GLU 49 -11.600 2.470 -2.019 256 HA GLU 49 HA GLU 49 -11.741 -0.459 -2.051 257 HB2 GLU 49 HB2 GLU 49 -13.764 -0.222 -0.715 258 HB3 GLU 49 HB1 GLU 49 -12.452 0.683 0.028 259 HG2 GLU 49 HG2 GLU 49 -13.346 2.757 -0.794 260 HG3 GLU 49 HG1 GLU 49 -14.580 1.900 -1.719 261 H GLU 50 HN GLU 50 -13.064 -1.524 -3.475 262 HA GLU 50 HA GLU 50 -14.653 0.198 -5.238 263 HB2 GLU 50 HB2 GLU 50 -14.408 -1.705 -6.921 264 HB3 GLU 50 HB1 GLU 50 -13.027 -0.661 -6.645 265 HG2 GLU 50 HG2 GLU 50 -12.007 -2.357 -5.237 266 HG3 GLU 50 HG1 GLU 50 -13.410 -3.404 -5.471 267 H LYS 51 HN LYS 51 -16.665 0.106 -4.728 268 HA LYS 51 HA LYS 51 -17.896 -2.530 -4.282 269 HB2 LYS 51 HB2 LYS 51 -18.900 0.136 -3.258 270 HB3 LYS 51 HB1 LYS 51 -19.573 -1.445 -2.905 271 HG2 LYS 51 HG2 LYS 51 -16.835 -0.521 -2.059 272 HG3 LYS 51 HG1 LYS 51 -18.275 -0.495 -1.042 273 HD2 LYS 51 HD2 LYS 51 -18.461 -2.946 -1.310 274 HD3 LYS 51 HD1 LYS 51 -16.958 -2.934 -2.236 275 HE2 LYS 51 HE2 LYS 51 -15.774 -2.006 -0.311 276 HE3 LYS 51 HE1 LYS 51 -17.272 -1.994 0.615 277 HZ1 LYS 51 HZ1 LYS 51 -15.761 -4.354 -0.352 278 HZ2 LYS 51 HZ2 LYS 51 -17.343 -4.458 0.249 279 HZ3 LYS 51 HZ3 LYS 51 -16.089 -3.911 1.253 280 HA PRO 52 HA PRO 52 -19.419 -1.531 -8.443 281 HB2 PRO 52 HB2 PRO 52 -21.212 -3.755 -7.545 282 HB3 PRO 52 HB1 PRO 52 -20.419 -3.515 -9.108 283 HG2 PRO 52 HG2 PRO 52 -19.426 -5.237 -7.349 284 HG3 PRO 52 HG1 PRO 52 -18.351 -4.205 -8.311 285 HD2 PRO 52 HD2 PRO 52 -19.077 -4.019 -5.434 286 HD3 PRO 52 HD1 PRO 52 -17.577 -3.547 -6.253 287 H GLY 53 HN GLY 53 -20.741 0.113 -8.798 288 HA2 GLY 53 HA2 GLY 53 -23.043 0.923 -8.857 289 HA3 GLY 53 HA1 GLY 53 -23.241 0.282 -7.228 290 H GLN 54 HN GLN 54 -20.510 1.214 -6.546 291 HA GLN 54 HA GLN 54 -21.019 4.111 -6.341 292 HB2 GLN 54 HB2 GLN 54 -19.622 2.303 -4.353 293 HB3 GLN 54 HB1 GLN 54 -19.894 4.033 -4.165 294 HG2 GLN 54 HG2 GLN 54 -22.298 3.665 -4.129 295 HG3 GLN 54 HG1 GLN 54 -22.036 1.933 -4.349 296 HE21 GLN 54 HE21 GLN 54 -21.327 0.700 -2.645 297 HE22 GLN 54 HE22 GLN 54 -21.276 1.290 -1.017 298 HA PRO 55 HA PRO 55 -16.958 4.593 -8.138 299 HB2 PRO 55 HB2 PRO 55 -16.260 6.990 -7.133 300 HB3 PRO 55 HB1 PRO 55 -17.478 6.825 -8.402 301 HG2 PRO 55 HG2 PRO 55 -17.859 7.219 -5.458 302 HG3 PRO 55 HG1 PRO 55 -18.727 7.971 -6.809 303 HD2 PRO 55 HD2 PRO 55 -19.723 5.877 -5.390 304 HD3 PRO 55 HD1 PRO 55 -20.101 6.150 -7.103 305 H LYS 56 HN LYS 56 -14.831 4.453 -7.598 306 HA LYS 56 HA LYS 56 -14.443 3.106 -5.102 307 HB2 LYS 56 HB2 LYS 56 -12.603 3.644 -7.435 308 HB3 LYS 56 HB1 LYS 56 -12.205 2.611 -6.059 309 HG2 LYS 56 HG2 LYS 56 -13.767 1.017 -6.619 310 HG3 LYS 56 HG1 LYS 56 -14.728 2.145 -7.572 311 HD2 LYS 56 HD2 LYS 56 -13.055 2.137 -9.312 312 HD3 LYS 56 HD1 LYS 56 -12.022 1.058 -8.355 313 HE2 LYS 56 HE2 LYS 56 -14.145 -0.459 -8.319 314 HE3 LYS 56 HE1 LYS 56 -14.629 0.497 -9.718 315 HZ1 LYS 56 HZ1 LYS 56 -12.653 -0.185 -10.868 316 HZ2 LYS 56 HZ2 LYS 56 -13.464 -1.562 -10.303 317 HZ3 LYS 56 HZ3 LYS 56 -12.082 -1.010 -9.499 318 H ARG 57 HN ARG 57 -13.705 3.905 -3.309 319 HA ARG 57 HA ARG 57 -13.119 6.764 -3.296 320 HB2 ARG 57 HB2 ARG 57 -14.964 5.643 -1.895 321 HB3 ARG 57 HB1 ARG 57 -13.656 5.020 -0.899 322 HG2 ARG 57 HG2 ARG 57 -14.368 6.941 0.207 323 HG3 ARG 57 HG1 ARG 57 -12.917 7.453 -0.658 324 HD2 ARG 57 HD2 ARG 57 -14.621 9.130 -0.929 325 HD3 ARG 57 HD1 ARG 57 -14.359 8.321 -2.475 326 HE ARG 57 HE ARG 57 -16.497 7.195 -0.899 327 HH11 ARG 57 HH11 ARG 57 -15.652 9.586 -3.323 328 HH12 ARG 57 HH12 ARG 57 -17.279 9.746 -3.909 329 HH21 ARG 57 HH21 ARG 57 -18.624 7.387 -1.667 330 HH22 ARG 57 HH22 ARG 57 -18.976 8.495 -2.971 331 H LEU 58 HN LEU 58 -11.182 7.562 -2.732 332 HA LEU 58 HA LEU 58 -8.934 5.934 -2.315 333 HB2 LEU 58 HB2 LEU 58 -9.531 8.825 -2.163 334 HB3 LEU 58 HB1 LEU 58 -8.142 8.285 -1.240 335 HG LEU 58 HG LEU 58 -8.461 7.645 -4.167 336 HD11 LEU 58 HD11 LEU 58 -7.052 9.999 -2.906 337 HD12 LEU 58 HD12 LEU 58 -8.495 10.073 -3.915 338 HD13 LEU 58 HD13 LEU 58 -6.965 9.538 -4.606 339 HD21 LEU 58 HD21 LEU 58 -6.175 7.096 -4.091 340 HD22 LEU 58 HD22 LEU 58 -6.858 6.374 -2.629 341 HD23 LEU 58 HD23 LEU 58 -5.954 7.884 -2.530 342 H VAL 59 HN VAL 59 -8.728 4.613 -0.669 343 HA VAL 59 HA VAL 59 -9.846 5.341 1.921 344 HB VAL 59 HB VAL 59 -9.434 3.052 2.607 345 HG11 VAL 59 HG11 VAL 59 -10.623 3.065 -0.160 346 HG12 VAL 59 HG12 VAL 59 -11.463 3.604 1.291 347 HG13 VAL 59 HG13 VAL 59 -10.962 1.921 1.138 348 HG21 VAL 59 HG21 VAL 59 -8.449 1.398 1.141 349 HG22 VAL 59 HG22 VAL 59 -7.309 2.719 1.401 350 HG23 VAL 59 HG23 VAL 59 -8.209 2.614 -0.112 351 H ALA 60 HN ALA 60 -6.810 5.099 0.286 352 HA ALA 60 HA ALA 60 -5.512 6.541 2.359 353 HB1 ALA 60 HB1 ALA 60 -4.690 3.669 1.957 354 HB2 ALA 60 HB2 ALA 60 -5.364 4.397 3.410 355 HB3 ALA 60 HB3 ALA 60 -3.765 4.870 2.861 356 H ILE 61 HN ILE 61 -3.982 7.741 1.493 357 HA ILE 61 HA ILE 61 -2.671 6.821 -0.974 358 HB ILE 61 HB ILE 61 -2.497 9.574 0.287 359 HG12 ILE 61 HG12 ILE 61 -3.789 10.130 -1.945 360 HG13 ILE 61 HG11 ILE 61 -4.324 8.459 -1.816 361 HG21 ILE 61 HG21 ILE 61 -1.668 8.682 -2.468 362 HG22 ILE 61 HG22 ILE 61 -0.572 8.763 -1.089 363 HG23 ILE 61 HG23 ILE 61 -1.342 10.235 -1.691 364 HD11 ILE 61 HD11 ILE 61 -4.777 10.683 0.154 365 HD12 ILE 61 HD12 ILE 61 -5.159 8.992 0.463 366 HD13 ILE 61 HD13 ILE 61 -5.979 9.855 -0.839 367 H CYS 62 HN CYS 62 -0.796 5.763 -0.592 368 HA CYS 62 HA CYS 62 0.641 6.454 1.876 369 HB2 CYS 62 HB2 CYS 62 -0.937 4.487 2.189 370 HB3 CYS 62 HB1 CYS 62 0.109 3.589 1.092 371 H LYS 63 HN LYS 63 2.798 6.084 1.913 372 HA LYS 63 HA LYS 63 4.074 4.799 -0.355 373 HB2 LYS 63 HB2 LYS 63 5.706 6.678 -0.566 374 HB3 LYS 63 HB1 LYS 63 4.083 7.058 -1.122 375 HG2 LYS 63 HG2 LYS 63 3.645 8.382 0.782 376 HG3 LYS 63 HG1 LYS 63 5.096 7.799 1.608 377 HD2 LYS 63 HD2 LYS 63 6.511 9.047 0.281 378 HD3 LYS 63 HD1 LYS 63 5.345 9.156 -1.036 379 HE2 LYS 63 HE2 LYS 63 3.981 10.685 0.291 380 HE3 LYS 63 HE1 LYS 63 5.118 10.544 1.633 381 HZ1 LYS 63 HZ1 LYS 63 5.728 11.663 -1.050 382 HZ2 LYS 63 HZ2 LYS 63 6.828 11.521 0.235 383 HZ3 LYS 63 HZ3 LYS 63 5.495 12.559 0.371 384 H ASN 64 HN ASN 64 6.459 4.625 0.053 385 HA ASN 64 HA ASN 64 6.746 3.505 2.695 386 HB2 ASN 64 HB2 ASN 64 7.632 2.258 0.803 387 HB3 ASN 64 HB1 ASN 64 8.652 3.618 0.349 388 HD21 ASN 64 HD21 ASN 64 10.508 4.025 1.448 389 HD22 ASN 64 HD22 ASN 64 11.200 2.890 2.568 390 H ALA 65 HN ALA 65 8.013 4.187 4.289 391 HA ALA 65 HA ALA 65 8.094 6.854 4.861 392 HB1 ALA 65 HB1 ALA 65 10.071 4.950 6.049 393 HB2 ALA 65 HB2 ALA 65 8.349 4.825 6.379 394 HB3 ALA 65 HB3 ALA 65 9.222 6.291 6.819 395 H SER 66 HN SER 66 10.704 4.940 3.484 396 HA SER 66 HA SER 66 12.326 7.371 3.243 397 HB2 SER 66 HB2 SER 66 13.553 5.621 4.326 398 HB3 SER 66 HB1 SER 66 13.046 4.435 3.127 399 HG SER 66 HG SER 66 14.849 6.606 2.799 400 HA PRO 67 HA PRO 67 11.548 7.249 -1.156 401 HB2 PRO 67 HB2 PRO 67 13.760 9.074 -1.521 402 HB3 PRO 67 HB1 PRO 67 12.030 9.402 -1.642 403 HG2 PRO 67 HG2 PRO 67 13.634 10.404 0.333 404 HG3 PRO 67 HG1 PRO 67 11.892 10.134 0.518 405 HD2 PRO 67 HD2 PRO 67 14.185 8.453 1.453 406 HD3 PRO 67 HD1 PRO 67 12.655 8.833 2.275 407 H VAL 68 HN VAL 68 14.068 5.899 0.444 408 HA VAL 68 HA VAL 68 15.392 5.053 -2.055 409 HB VAL 68 HB VAL 68 16.743 5.021 0.628 410 HG11 VAL 68 HG11 VAL 68 17.970 5.174 -2.105 411 HG12 VAL 68 HG12 VAL 68 17.500 3.645 -1.371 412 HG13 VAL 68 HG13 VAL 68 18.715 4.660 -0.589 413 HG21 VAL 68 HG21 VAL 68 17.867 7.108 0.029 414 HG22 VAL 68 HG22 VAL 68 16.123 7.344 0.167 415 HG23 VAL 68 HG23 VAL 68 16.876 7.229 -1.425 416 H HIS 69 HN HIS 69 15.516 3.899 1.305 417 HA HIS 69 HA HIS 69 15.201 1.172 0.289 418 HB2 HIS 69 HB2 HIS 69 15.934 2.078 3.079 419 HB3 HIS 69 HB1 HIS 69 16.025 0.440 2.451 420 HD1 HIS 69 HD1 HIS 69 17.891 3.624 2.637 421 HD2 HIS 69 HD2 HIS 69 18.170 0.012 0.588 422 HE1 HIS 69 HE1 HIS 69 20.224 3.546 1.713 423 HE2 HIS 69 HE2 HIS 69 20.424 1.293 0.604 424 H CYS 70 HN CYS 70 13.865 -0.327 1.657 425 HA CYS 70 HA CYS 70 11.315 1.003 2.140 426 HB2 CYS 70 HB2 CYS 70 10.439 -1.390 2.082 427 HB3 CYS 70 HB1 CYS 70 11.097 -0.754 0.577 428 HG CYS 70 HG CYS 70 12.629 -2.961 2.705 429 H ASN 71 HN ASN 71 10.494 1.254 4.078 430 HA ASN 71 HA ASN 71 11.639 -0.283 6.327 431 HB2 ASN 71 HB2 ASN 71 10.717 2.600 6.459 432 HB3 ASN 71 HB1 ASN 71 11.430 1.669 7.765 433 HD21 ASN 71 HD21 ASN 71 12.219 4.202 6.622 434 HD22 ASN 71 HD22 ASN 71 13.864 4.003 6.086 435 H TYR 72 HN TYR 72 9.164 2.163 6.466 436 HA TYR 72 HA TYR 72 7.076 0.130 6.806 437 HB2 TYR 72 HB2 TYR 72 7.380 2.688 8.401 438 HB3 TYR 72 HB1 TYR 72 6.061 1.535 8.550 439 HD1 TYR 72 HD1 TYR 72 7.207 -1.020 8.772 440 HD2 TYR 72 HD2 TYR 72 8.752 2.650 10.244 441 HE1 TYR 72 HE1 TYR 72 8.446 -2.248 10.510 442 HE2 TYR 72 HE2 TYR 72 9.999 1.439 11.981 443 HH TYR 72 HH TYR 72 9.847 -0.721 13.183 444 H LEU 73 HN LEU 73 4.856 1.436 6.780 445 HA LEU 73 HA LEU 73 4.968 3.043 4.327 446 HB2 LEU 73 HB2 LEU 73 2.777 1.400 5.569 447 HB3 LEU 73 HB1 LEU 73 2.465 2.549 4.284 448 HG LEU 73 HG LEU 73 4.124 0.041 4.138 449 HD11 LEU 73 HD11 LEU 73 2.516 -0.527 2.359 450 HD12 LEU 73 HD12 LEU 73 1.637 0.966 2.697 451 HD13 LEU 73 HD13 LEU 73 1.737 -0.299 3.924 452 HD21 LEU 73 HD21 LEU 73 5.337 1.727 2.929 453 HD22 LEU 73 HD22 LEU 73 3.865 2.274 2.129 454 HD23 LEU 73 HD23 LEU 73 4.524 0.676 1.767 455 H LYS 74 HN LYS 74 4.596 5.114 4.408 456 HA LYS 74 HA LYS 74 3.195 6.252 6.735 457 HB2 LYS 74 HB2 LYS 74 5.471 7.153 5.096 458 HB3 LYS 74 HB1 LYS 74 4.268 8.397 5.396 459 HG2 LYS 74 HG2 LYS 74 6.031 8.487 7.048 460 HG3 LYS 74 HG1 LYS 74 4.498 8.045 7.799 461 HD2 LYS 74 HD2 LYS 74 5.193 5.680 7.765 462 HD3 LYS 74 HD1 LYS 74 6.743 6.163 7.070 463 HE2 LYS 74 HE2 LYS 74 7.262 7.462 9.037 464 HE3 LYS 74 HE1 LYS 74 5.676 7.117 9.724 465 HZ1 LYS 74 HZ1 LYS 74 7.849 5.155 9.214 466 HZ2 LYS 74 HZ2 LYS 74 6.288 4.741 9.732 467 HZ3 LYS 74 HZ3 LYS 74 7.290 5.684 10.723 468 H CYS 75 HN CYS 75 1.097 6.465 6.276 469 HA CYS 75 HA CYS 75 0.346 7.220 3.532 470 HB2 CYS 75 HB2 CYS 75 -1.650 5.898 5.295 471 HB3 CYS 75 HB1 CYS 75 -1.381 5.721 3.566 472 H THR 76 HN THR 76 -1.318 8.704 3.233 473 HA THR 76 HA THR 76 -2.292 10.058 5.659 474 HB THR 76 HB THR 76 -0.782 11.486 4.240 475 HG1 THR 76 HG1 THR 76 -2.926 12.138 5.465 476 HG21 THR 76 HG21 THR 76 -3.051 11.305 2.261 477 HG22 THR 76 HG22 THR 76 -1.440 10.621 2.042 478 HG23 THR 76 HG23 THR 76 -1.651 12.371 2.134 479 H ASN 77 HN ASN 77 -4.488 10.781 5.577 480 HA ASN 77 HA ASN 77 -6.702 10.409 5.284 481 HB2 ASN 77 HB2 ASN 77 -6.494 11.306 3.057 482 HB3 ASN 77 HB1 ASN 77 -5.829 9.792 2.453 483 HD21 ASN 77 HD21 ASN 77 -7.197 8.086 2.019 484 HD22 ASN 77 HD22 ASN 77 -8.918 8.259 1.950 485 H LEU 78 HN LEU 78 -7.241 8.774 6.570 486 HA LEU 78 HA LEU 78 -7.012 6.043 5.476 487 HB2 LEU 78 HB2 LEU 78 -7.000 6.919 8.370 488 HB3 LEU 78 HB1 LEU 78 -7.019 5.252 7.828 489 HG LEU 78 HG LEU 78 -4.787 7.227 7.326 490 HD11 LEU 78 HD11 LEU 78 -4.954 6.536 9.672 491 HD12 LEU 78 HD12 LEU 78 -3.517 5.864 8.900 492 HD13 LEU 78 HD13 LEU 78 -4.930 4.845 9.173 493 HD21 LEU 78 HD21 LEU 78 -3.567 5.340 6.432 494 HD22 LEU 78 HD22 LEU 78 -5.070 5.556 5.533 495 HD23 LEU 78 HD23 LEU 78 -4.936 4.274 6.737 496 H ALA 79 HN ALA 79 -8.873 4.976 5.182 497 HA ALA 79 HA ALA 79 -11.316 6.455 5.772 498 HB1 ALA 79 HB1 ALA 79 -12.396 4.948 4.195 499 HB2 ALA 79 HB2 ALA 79 -10.911 4.006 4.063 500 HB3 ALA 79 HB3 ALA 79 -10.951 5.671 3.488 501 H ALA 80 HN ALA 80 -11.122 5.957 8.064 502 HA ALA 80 HA ALA 80 -11.887 4.957 9.944 503 HB1 ALA 80 HB1 ALA 80 -13.921 3.637 9.786 504 HB2 ALA 80 HB2 ALA 80 -13.687 3.459 8.047 505 HB3 ALA 80 HB3 ALA 80 -14.009 5.051 8.736 506 H GLY 81 HN GLY 81 -12.517 2.053 8.059 507 HA2 GLY 81 HA2 GLY 81 -10.749 0.588 9.875 508 HA3 GLY 81 HA1 GLY 81 -11.982 -0.115 8.837 509 H PHE 82 HN PHE 82 -10.590 1.971 6.852 510 HA PHE 82 HA PHE 82 -8.785 -0.045 5.760 511 HB2 PHE 82 HB2 PHE 82 -9.869 2.522 4.591 512 HB3 PHE 82 HB1 PHE 82 -8.740 1.462 3.760 513 HD1 PHE 82 HD2 PHE 82 -9.456 -0.723 2.950 514 HD2 PHE 82 HD1 PHE 82 -12.177 1.955 4.827 515 HE1 PHE 82 HE2 PHE 82 -11.344 -2.023 2.056 516 HE2 PHE 82 HE1 PHE 82 -14.071 0.661 3.938 517 HZ PHE 82 HZ PHE 82 -13.658 -1.331 2.551 518 H SER 83 HN SER 83 -6.745 0.032 6.344 519 HA SER 83 HA SER 83 -5.295 2.560 6.166 520 HB2 SER 83 HB2 SER 83 -4.986 0.676 8.520 521 HB3 SER 83 HB1 SER 83 -4.144 2.204 8.275 522 HG SER 83 HG SER 83 -6.721 2.729 8.122 523 H ALA 84 HN ALA 84 -2.829 1.995 6.205 524 HA ALA 84 HA ALA 84 -2.555 -0.463 4.627 525 HB1 ALA 84 HB1 ALA 84 -0.544 0.459 3.714 526 HB2 ALA 84 HB2 ALA 84 -0.565 1.781 4.875 527 HB3 ALA 84 HB3 ALA 84 -1.804 1.690 3.625 528 H GLY 85 HN GLY 85 -0.633 -1.788 4.963 529 HA2 GLY 85 HA2 GLY 85 -0.203 -2.001 7.878 530 HA3 GLY 85 HA1 GLY 85 -0.335 -3.375 6.792 531 H THR 86 HN THR 86 1.407 -3.008 4.851 532 HA THR 86 HA THR 86 3.959 -2.066 5.586 533 HB THR 86 HB THR 86 3.741 -3.852 7.318 534 HG1 THR 86 HG1 THR 86 5.773 -4.794 6.898 535 HG21 THR 86 HG21 THR 86 2.349 -5.405 6.000 536 HG22 THR 86 HG22 THR 86 3.772 -6.193 6.682 537 HG23 THR 86 HG23 THR 86 3.739 -5.753 4.973 538 H SER 87 HN SER 87 5.678 -3.494 4.227 539 HA SER 87 HA SER 87 4.396 -4.313 1.705 540 HB2 SER 87 HB2 SER 87 6.990 -2.761 1.970 541 HB3 SER 87 HB1 SER 87 6.261 -3.310 0.459 542 HG SER 87 HG SER 87 4.881 -1.637 2.270 543 H THR 88 HN THR 88 5.331 -6.120 0.695 544 HA THR 88 HA THR 88 7.467 -7.494 2.161 545 HB THR 88 HB THR 88 6.093 -9.590 2.136 546 HG1 THR 88 HG1 THR 88 4.281 -9.408 1.042 547 HG21 THR 88 HG21 THR 88 5.097 -7.276 3.796 548 HG22 THR 88 HG22 THR 88 6.388 -8.402 4.218 549 HG23 THR 88 HG23 THR 88 4.719 -8.969 4.112 550 H ASP 89 HN ASP 89 7.097 -9.972 0.986 551 HA ASP 89 HA ASP 89 7.185 -11.283 -0.834 552 HB2 ASP 89 HB2 ASP 89 5.091 -10.130 -1.450 553 HB3 ASP 89 HB1 ASP 89 6.028 -8.916 -2.313 554 H VAL 90 HN VAL 90 7.755 -8.291 -2.614 555 HA VAL 90 HA VAL 90 9.984 -9.456 -3.933 556 HB VAL 90 HB VAL 90 10.267 -7.119 -4.891 557 HG11 VAL 90 HG11 VAL 90 8.234 -7.318 -6.276 558 HG12 VAL 90 HG12 VAL 90 7.607 -8.520 -5.147 559 HG13 VAL 90 HG13 VAL 90 9.066 -8.859 -6.077 560 HG21 VAL 90 HG21 VAL 90 7.927 -6.692 -3.079 561 HG22 VAL 90 HG22 VAL 90 8.063 -5.790 -4.579 562 HG23 VAL 90 HG23 VAL 90 9.327 -5.655 -3.358 563 H LEU 91 HN LEU 91 9.602 -7.195 -1.270 564 HA LEU 91 HA LEU 91 12.476 -6.835 -1.077 565 HB2 LEU 91 HB2 LEU 91 12.050 -5.294 0.707 566 HB3 LEU 91 HB1 LEU 91 10.972 -4.941 -0.625 567 HG LEU 91 HG LEU 91 9.278 -6.410 0.773 568 HD11 LEU 91 HD11 LEU 91 11.123 -5.332 2.904 569 HD12 LEU 91 HD12 LEU 91 10.894 -7.035 2.507 570 HD13 LEU 91 HD13 LEU 91 9.556 -6.098 3.171 571 HD21 LEU 91 HD21 LEU 91 8.481 -4.346 1.816 572 HD22 LEU 91 HD22 LEU 91 8.957 -4.094 0.139 573 HD23 LEU 91 HD23 LEU 91 10.020 -3.568 1.445 574 H SER 92 HN SER 92 9.973 -8.745 0.464 575 HA SER 92 HA SER 92 11.826 -9.487 2.595 576 HB2 SER 92 HB2 SER 92 9.391 -8.852 3.009 577 HB3 SER 92 HB1 SER 92 8.967 -10.402 2.288 578 HG SER 92 HG SER 92 10.786 -10.991 4.051 579 H SER 93 HN SER 93 9.427 -11.518 0.910 580 HA SER 93 HA SER 93 11.443 -13.144 -0.331 581 HB2 SER 93 HB2 SER 93 9.813 -14.320 1.939 582 HB3 SER 93 HB1 SER 93 10.815 -15.249 0.825 583 HG SER 93 HG SER 93 12.324 -13.300 1.790 584 H GLY 94 HN GLY 94 8.086 -13.429 0.854 585 HA2 GLY 94 HA2 GLY 94 6.952 -13.175 -1.721 586 HA3 GLY 94 HA1 GLY 94 7.097 -14.878 -1.307 587 H THR 95 HN THR 95 4.802 -12.906 -1.626 588 HA THR 95 HA THR 95 3.351 -13.936 0.704 589 HB THR 95 HB THR 95 1.979 -11.754 0.636 590 HG1 THR 95 HG1 THR 95 3.521 -11.152 -1.307 591 HG21 THR 95 HG21 THR 95 4.799 -11.633 1.689 592 HG22 THR 95 HG22 THR 95 3.451 -12.442 2.490 593 HG23 THR 95 HG23 THR 95 3.420 -10.693 2.260 594 H VAL 96 HN VAL 96 0.909 -13.802 0.290 595 HA VAL 96 HA VAL 96 0.323 -15.042 -2.169 596 HB VAL 96 HB VAL 96 -2.069 -14.746 -1.576 597 HG11 VAL 96 HG11 VAL 96 -0.277 -15.738 0.638 598 HG12 VAL 96 HG12 VAL 96 -0.854 -16.666 -0.746 599 HG13 VAL 96 HG13 VAL 96 -1.995 -16.107 0.478 600 HG21 VAL 96 HG21 VAL 96 -0.997 -13.276 0.835 601 HG22 VAL 96 HG22 VAL 96 -2.676 -13.752 0.573 602 HG23 VAL 96 HG23 VAL 96 -1.922 -12.559 -0.485 603 H GLY 97 HN GLY 97 -0.286 -14.297 -4.096 604 HA2 GLY 97 HA2 GLY 97 0.176 -11.490 -4.582 605 HA3 GLY 97 HA1 GLY 97 -0.098 -12.732 -5.794 606 H SER 98 HN SER 98 -1.443 -10.145 -4.080 607 HA SER 98 HA SER 98 -4.122 -10.781 -5.095 608 HB2 SER 98 HB2 SER 98 -4.903 -8.997 -3.536 609 HB3 SER 98 HB1 SER 98 -4.092 -10.324 -2.705 610 HG SER 98 HG SER 98 -2.692 -8.009 -3.522 Start of MODEL 14 1 H1 SER 19 HT1 SER 19 20.493 -1.462 -4.029 2 H2 SER 19 HT2 SER 19 19.228 -0.732 -4.890 3 H3 SER 19 HT3 SER 19 18.890 -1.640 -3.499 4 HA SER 19 HA SER 19 20.146 -0.035 -2.168 5 HB2 SER 19 HB2 SER 19 21.546 0.767 -4.084 6 HB3 SER 19 HB1 SER 19 20.127 1.589 -4.729 7 HG SER 19 HG SER 19 21.786 2.682 -3.195 8 H PHE 20 HN PHE 20 18.256 1.571 -4.724 9 HA PHE 20 HA PHE 20 16.123 2.062 -2.833 10 HB2 PHE 20 HB2 PHE 20 15.013 3.166 -4.846 11 HB3 PHE 20 HB1 PHE 20 16.477 3.920 -4.238 12 HD1 PHE 20 HD2 PHE 20 18.535 3.860 -5.531 13 HD2 PHE 20 HD1 PHE 20 14.948 2.119 -7.011 14 HE1 PHE 20 HE2 PHE 20 19.509 3.792 -7.790 15 HE2 PHE 20 HE1 PHE 20 15.917 2.046 -9.271 16 HZ PHE 20 HZ PHE 20 18.198 2.881 -9.663 17 H VAL 21 HN VAL 21 14.219 1.017 -2.791 18 HA VAL 21 HA VAL 21 14.132 -1.411 -4.447 19 HB VAL 21 HB VAL 21 14.912 -2.154 -2.363 20 HG11 VAL 21 HG11 VAL 21 12.766 -0.537 -1.010 21 HG12 VAL 21 HG12 VAL 21 14.448 -0.041 -1.187 22 HG13 VAL 21 HG13 VAL 21 14.046 -1.469 -0.231 23 HG21 VAL 21 HG21 VAL 21 12.891 -3.389 -3.251 24 HG22 VAL 21 HG22 VAL 21 11.943 -2.512 -2.045 25 HG23 VAL 21 HG23 VAL 21 13.233 -3.598 -1.533 26 H GLN 22 HN GLN 22 12.198 -2.139 -5.164 27 HA GLN 22 HA GLN 22 9.869 -0.410 -4.696 28 HB2 GLN 22 HB2 GLN 22 8.914 -1.469 -6.699 29 HB3 GLN 22 HB1 GLN 22 10.485 -0.758 -7.046 30 HG2 GLN 22 HG2 GLN 22 11.050 -2.692 -7.956 31 HG3 GLN 22 HG1 GLN 22 11.062 -3.372 -6.330 32 HE21 GLN 22 HE21 GLN 22 8.121 -2.965 -6.108 33 HE22 GLN 22 HE22 GLN 22 7.423 -4.239 -7.041 34 H CYS 23 HN CYS 23 7.848 -1.366 -4.033 35 HA CYS 23 HA CYS 23 7.957 -4.146 -3.179 36 HB2 CYS 23 HB2 CYS 23 7.304 -3.491 -0.838 37 HB3 CYS 23 HB1 CYS 23 8.964 -3.114 -1.287 38 HG CYS 23 HG CYS 23 8.300 -0.969 0.183 39 H ASN 24 HN ASN 24 5.970 -5.103 -2.798 40 HA ASN 24 HA ASN 24 3.671 -3.768 -3.858 41 HB2 ASN 24 HB2 ASN 24 2.510 -5.875 -2.748 42 HB3 ASN 24 HB1 ASN 24 3.426 -6.024 -4.242 43 HD21 ASN 24 HD21 ASN 24 5.325 -7.125 -4.256 44 HD22 ASN 24 HD22 ASN 24 5.880 -8.081 -2.927 45 H HIS 25 HN HIS 25 2.688 -2.239 -2.832 46 HA HIS 25 HA HIS 25 2.969 -1.861 0.001 47 HB2 HIS 25 HB2 HIS 25 1.500 -0.413 -2.195 48 HB3 HIS 25 HB1 HIS 25 1.306 0.044 -0.512 49 HD1 HIS 25 HD1 HIS 25 4.512 -0.791 -2.420 50 HD2 HIS 25 HD2 HIS 25 2.750 2.309 -0.277 51 HE1 HIS 25 HE1 HIS 25 6.239 1.025 -2.306 52 HE2 HIS 25 HE2 HIS 25 5.079 2.955 -1.193 53 H HIS 26 HN HIS 26 1.840 -3.161 1.351 54 HA HIS 26 HA HIS 26 -0.616 -4.403 0.488 55 HB2 HIS 26 HB2 HIS 26 0.956 -4.550 3.061 56 HB3 HIS 26 HB1 HIS 26 -0.591 -5.360 2.856 57 HD1 HIS 26 HD1 HIS 26 -0.018 -7.769 2.708 58 HD2 HIS 26 HD2 HIS 26 2.499 -5.415 0.370 59 HE1 HIS 26 HE1 HIS 26 1.443 -9.380 1.436 60 HE2 HIS 26 HE2 HIS 26 2.960 -7.935 0.033 61 H LEU 27 HN LEU 27 -2.590 -3.649 0.773 62 HA LEU 27 HA LEU 27 -3.051 -1.528 2.746 63 HB2 LEU 27 HB2 LEU 27 -3.819 -1.420 0.261 64 HB3 LEU 27 HB1 LEU 27 -5.059 -2.566 0.750 65 HG LEU 27 HG LEU 27 -5.875 -0.233 0.677 66 HD11 LEU 27 HD11 LEU 27 -7.012 -0.223 2.802 67 HD12 LEU 27 HD12 LEU 27 -5.809 -1.322 3.483 68 HD13 LEU 27 HD13 LEU 27 -6.900 -1.884 2.212 69 HD21 LEU 27 HD21 LEU 27 -3.793 0.880 1.322 70 HD22 LEU 27 HD22 LEU 27 -3.953 0.225 2.952 71 HD23 LEU 27 HD23 LEU 27 -5.142 1.374 2.343 72 H LEU 28 HN LEU 28 -4.036 -1.999 4.598 73 HA LEU 28 HA LEU 28 -5.057 -4.733 4.932 74 HB2 LEU 28 HB2 LEU 28 -3.208 -3.170 6.435 75 HB3 LEU 28 HB1 LEU 28 -4.623 -3.456 7.434 76 HG LEU 28 HG LEU 28 -2.968 -5.164 7.839 77 HD11 LEU 28 HD11 LEU 28 -4.306 -7.176 7.343 78 HD12 LEU 28 HD12 LEU 28 -5.339 -6.201 6.299 79 HD13 LEU 28 HD13 LEU 28 -5.262 -5.863 8.028 80 HD21 LEU 28 HD21 LEU 28 -1.703 -5.161 5.835 81 HD22 LEU 28 HD22 LEU 28 -3.112 -5.590 4.871 82 HD23 LEU 28 HD23 LEU 28 -2.412 -6.771 5.979 83 H TYR 29 HN TYR 29 -7.130 -4.982 5.288 84 HA TYR 29 HA TYR 29 -8.717 -2.667 6.151 85 HB2 TYR 29 HB2 TYR 29 -9.404 -3.952 4.070 86 HB3 TYR 29 HB1 TYR 29 -9.737 -5.328 5.114 87 HD1 TYR 29 HD1 TYR 29 -10.444 -1.740 5.771 88 HD2 TYR 29 HD2 TYR 29 -12.068 -5.575 4.914 89 HE1 TYR 29 HE1 TYR 29 -12.704 -0.857 6.157 90 HE2 TYR 29 HE2 TYR 29 -14.337 -4.701 5.293 91 HH TYR 29 HH TYR 29 -15.033 -1.373 5.514 92 H ASN 30 HN ASN 30 -10.148 -2.937 7.949 93 HA ASN 30 HA ASN 30 -9.063 -4.059 10.196 94 HB2 ASN 30 HB2 ASN 30 -10.910 -2.428 10.234 95 HB3 ASN 30 HB1 ASN 30 -12.016 -3.671 9.660 96 HD21 ASN 30 HD21 ASN 30 -10.191 -2.473 12.344 97 HD22 ASN 30 HD22 ASN 30 -10.923 -3.472 13.554 98 H GLY 31 HN GLY 31 -8.370 -6.112 10.224 99 HA2 GLY 31 HA2 GLY 31 -9.210 -8.285 11.044 100 HA3 GLY 31 HA1 GLY 31 -10.413 -8.193 9.769 101 H ARG 32 HN ARG 32 -8.917 -7.495 7.555 102 HA ARG 32 HA ARG 32 -6.913 -9.587 7.293 103 HB2 ARG 32 HB2 ARG 32 -9.621 -9.722 6.007 104 HB3 ARG 32 HB1 ARG 32 -8.229 -10.492 5.261 105 HG2 ARG 32 HG2 ARG 32 -9.237 -11.063 8.041 106 HG3 ARG 32 HG1 ARG 32 -9.578 -12.039 6.611 107 HD2 ARG 32 HD2 ARG 32 -6.847 -11.492 7.769 108 HD3 ARG 32 HD1 ARG 32 -7.756 -12.992 7.937 109 HE ARG 32 HE ARG 32 -7.551 -12.565 5.224 110 HH11 ARG 32 HH11 ARG 32 -5.294 -12.917 7.891 111 HH12 ARG 32 HH12 ARG 32 -4.065 -13.657 6.911 112 HH21 ARG 32 HH21 ARG 32 -5.929 -13.566 3.950 113 HH22 ARG 32 HH22 ARG 32 -4.419 -14.019 4.681 114 H HIS 33 HN HIS 33 -5.844 -9.636 5.283 115 HA HIS 33 HA HIS 33 -5.081 -7.344 4.011 116 HB2 HIS 33 HB2 HIS 33 -3.809 -9.255 3.582 117 HB3 HIS 33 HB1 HIS 33 -5.218 -10.233 3.220 118 HD1 HIS 33 HD1 HIS 33 -6.173 -10.122 0.807 119 HD2 HIS 33 HD2 HIS 33 -2.702 -7.889 1.383 120 HE1 HIS 33 HE1 HIS 33 -5.334 -9.565 -1.491 121 HE2 HIS 33 HE2 HIS 33 -3.192 -8.303 -1.133 122 H TRP 34 HN TRP 34 -5.955 -5.982 2.528 123 HA TRP 34 HA TRP 34 -8.501 -6.790 1.298 124 HB2 TRP 34 HB2 TRP 34 -8.282 -4.595 2.616 125 HB3 TRP 34 HB1 TRP 34 -7.341 -4.003 1.249 126 HD1 TRP 34 HD1 TRP 34 -10.894 -4.981 2.250 127 HE1 TRP 34 HE1 TRP 34 -12.540 -4.115 0.466 128 HE3 TRP 34 HE3 TRP 34 -7.528 -3.368 -1.254 129 HZ2 TRP 34 HZ2 TRP 34 -12.422 -2.908 -2.077 130 HZ3 TRP 34 HZ3 TRP 34 -8.379 -2.370 -3.333 131 HH2 TRP 34 HH2 TRP 34 -10.778 -2.145 -3.735 132 H GLY 35 HN GLY 35 -5.501 -5.059 0.425 133 HA2 GLY 35 HA2 GLY 35 -5.213 -6.566 -2.003 134 HA3 GLY 35 HA1 GLY 35 -5.752 -4.917 -2.294 135 H THR 36 HN THR 36 -3.487 -5.250 -3.462 136 HA THR 36 HA THR 36 -1.641 -3.727 -1.858 137 HB THR 36 HB THR 36 -1.115 -6.177 -1.392 138 HG1 THR 36 HG1 THR 36 0.415 -4.145 -1.612 139 HG21 THR 36 HG21 THR 36 -0.131 -6.061 -4.241 140 HG22 THR 36 HG22 THR 36 -1.444 -7.070 -3.635 141 HG23 THR 36 HG23 THR 36 0.211 -7.357 -3.094 142 H ILE 37 HN ILE 37 -0.353 -2.417 -3.116 143 HA ILE 37 HA ILE 37 -0.571 -2.774 -6.025 144 HB ILE 37 HB ILE 37 -0.371 -0.190 -4.460 145 HG12 ILE 37 HG12 ILE 37 -2.389 0.433 -5.791 146 HG13 ILE 37 HG11 ILE 37 -2.393 -1.179 -6.497 147 HG21 ILE 37 HG21 ILE 37 -0.126 -0.580 -7.440 148 HG22 ILE 37 HG22 ILE 37 1.185 -0.133 -6.348 149 HG23 ILE 37 HG23 ILE 37 -0.170 0.968 -6.595 150 HD11 ILE 37 HD11 ILE 37 -4.049 -0.841 -4.687 151 HD12 ILE 37 HD12 ILE 37 -2.712 -0.637 -3.555 152 HD13 ILE 37 HD13 ILE 37 -2.929 -2.169 -4.397 153 H ARG 38 HN ARG 38 1.247 -3.216 -7.037 154 HA ARG 38 HA ARG 38 3.752 -3.326 -5.656 155 HB2 ARG 38 HB2 ARG 38 2.868 -4.880 -7.501 156 HB3 ARG 38 HB1 ARG 38 3.332 -3.613 -8.622 157 HG2 ARG 38 HG2 ARG 38 5.097 -5.147 -8.617 158 HG3 ARG 38 HG1 ARG 38 5.651 -3.767 -7.663 159 HD2 ARG 38 HD2 ARG 38 6.248 -5.894 -6.609 160 HD3 ARG 38 HD1 ARG 38 5.140 -4.959 -5.609 161 HE ARG 38 HE ARG 38 3.351 -6.458 -6.352 162 HH11 ARG 38 HH11 ARG 38 6.613 -7.531 -7.085 163 HH12 ARG 38 HH12 ARG 38 6.210 -9.221 -6.940 164 HH21 ARG 38 HH21 ARG 38 2.849 -8.657 -6.174 165 HH22 ARG 38 HH22 ARG 38 4.085 -9.855 -6.415 166 H LYS 39 HN LYS 39 4.546 -1.278 -5.151 167 HA LYS 39 HA LYS 39 5.493 0.258 -7.446 168 HB2 LYS 39 HB2 LYS 39 3.410 1.361 -6.907 169 HB3 LYS 39 HB1 LYS 39 3.856 1.460 -5.207 170 HG2 LYS 39 HG2 LYS 39 5.367 3.154 -5.561 171 HG3 LYS 39 HG1 LYS 39 5.616 2.728 -7.253 172 HD2 LYS 39 HD2 LYS 39 3.082 3.929 -6.139 173 HD3 LYS 39 HD1 LYS 39 4.360 4.847 -6.939 174 HE2 LYS 39 HE2 LYS 39 4.032 3.202 -8.892 175 HE3 LYS 39 HE1 LYS 39 2.511 2.788 -8.103 176 HZ1 LYS 39 HZ1 LYS 39 2.162 4.483 -9.764 177 HZ2 LYS 39 HZ2 LYS 39 3.321 5.490 -9.042 178 HZ3 LYS 39 HZ3 LYS 39 1.874 5.139 -8.224 179 H LYS 40 HN LYS 40 7.336 1.427 -7.096 180 HA LYS 40 HA LYS 40 9.115 0.442 -5.157 181 HB2 LYS 40 HB2 LYS 40 10.663 2.160 -6.054 182 HB3 LYS 40 HB1 LYS 40 9.898 1.188 -7.303 183 HG2 LYS 40 HG2 LYS 40 8.181 3.152 -7.369 184 HG3 LYS 40 HG1 LYS 40 9.502 4.057 -6.621 185 HD2 LYS 40 HD2 LYS 40 9.516 2.622 -9.268 186 HD3 LYS 40 HD1 LYS 40 9.670 4.354 -8.983 187 HE2 LYS 40 HE2 LYS 40 11.813 3.988 -7.870 188 HE3 LYS 40 HE1 LYS 40 11.651 2.248 -8.120 189 HZ1 LYS 40 HZ1 LYS 40 11.859 4.313 -10.250 190 HZ2 LYS 40 HZ2 LYS 40 11.647 2.652 -10.517 191 HZ3 LYS 40 HZ3 LYS 40 13.071 3.218 -9.797 192 H ALA 41 HN ALA 41 10.235 1.533 -3.500 193 HA ALA 41 HA ALA 41 8.469 2.863 -1.720 194 HB1 ALA 41 HB1 ALA 41 10.331 2.833 -0.177 195 HB2 ALA 41 HB2 ALA 41 11.437 2.431 -1.491 196 HB3 ALA 41 HB3 ALA 41 10.196 1.277 -1.001 197 H GLY 42 HN GLY 42 8.436 4.938 -0.993 198 HA2 GLY 42 HA2 GLY 42 9.355 7.120 -0.713 199 HA3 GLY 42 HA1 GLY 42 10.332 6.852 -2.149 200 H TRP 43 HN TRP 43 8.057 5.765 -3.648 201 HA TRP 43 HA TRP 43 6.957 8.330 -4.451 202 HB2 TRP 43 HB2 TRP 43 6.819 5.597 -5.738 203 HB3 TRP 43 HB1 TRP 43 6.111 7.059 -6.424 204 HD1 TRP 43 HD1 TRP 43 9.550 5.538 -5.571 205 HE1 TRP 43 HE1 TRP 43 11.327 6.671 -7.046 206 HE3 TRP 43 HE3 TRP 43 6.619 9.093 -7.788 207 HZ2 TRP 43 HZ2 TRP 43 11.471 8.793 -8.905 208 HZ3 TRP 43 HZ3 TRP 43 7.657 10.636 -9.402 209 HH2 TRP 43 HH2 TRP 43 10.033 10.485 -9.945 210 H ALA 44 HN ALA 44 4.829 8.863 -4.430 211 HA ALA 44 HA ALA 44 3.251 7.629 -2.405 212 HB1 ALA 44 HB1 ALA 44 3.250 10.045 -2.759 213 HB2 ALA 44 HB2 ALA 44 1.628 9.375 -2.911 214 HB3 ALA 44 HB3 ALA 44 2.536 9.814 -4.354 215 H VAL 45 HN VAL 45 1.658 6.164 -2.603 216 HA VAL 45 HA VAL 45 0.749 5.490 -5.324 217 HB VAL 45 HB VAL 45 2.268 3.779 -4.280 218 HG11 VAL 45 HG11 VAL 45 -0.054 3.357 -2.408 219 HG12 VAL 45 HG12 VAL 45 1.530 3.992 -1.968 220 HG13 VAL 45 HG13 VAL 45 1.374 2.329 -2.536 221 HG21 VAL 45 HG21 VAL 45 0.896 1.873 -4.931 222 HG22 VAL 45 HG22 VAL 45 0.718 3.211 -6.066 223 HG23 VAL 45 HG23 VAL 45 -0.545 2.888 -4.878 224 H ARG 46 HN ARG 46 -1.426 4.667 -5.470 225 HA ARG 46 HA ARG 46 -3.133 6.011 -3.520 226 HB2 ARG 46 HB2 ARG 46 -4.712 6.301 -5.189 227 HB3 ARG 46 HB1 ARG 46 -3.218 6.368 -6.109 228 HG2 ARG 46 HG2 ARG 46 -4.953 3.915 -5.845 229 HG3 ARG 46 HG1 ARG 46 -5.016 5.048 -7.192 230 HD2 ARG 46 HD2 ARG 46 -2.610 3.406 -6.378 231 HD3 ARG 46 HD1 ARG 46 -3.698 3.042 -7.715 232 HE ARG 46 HE ARG 46 -2.352 5.633 -7.757 233 HH11 ARG 46 HH11 ARG 46 -2.579 2.354 -9.013 234 HH12 ARG 46 HH12 ARG 46 -1.572 2.692 -10.395 235 HH21 ARG 46 HH21 ARG 46 -1.088 6.069 -9.579 236 HH22 ARG 46 HH22 ARG 46 -0.757 4.813 -10.735 237 H PHE 47 HN PHE 47 -4.667 4.992 -2.338 238 HA PHE 47 HA PHE 47 -5.222 2.170 -2.951 239 HB2 PHE 47 HB2 PHE 47 -4.978 3.448 -0.215 240 HB3 PHE 47 HB1 PHE 47 -5.626 1.836 -0.500 241 HD1 PHE 47 HD2 PHE 47 -4.068 0.195 -1.774 242 HD2 PHE 47 HD1 PHE 47 -2.729 3.712 0.211 243 HE1 PHE 47 HE2 PHE 47 -1.800 -0.745 -1.641 244 HE2 PHE 47 HE1 PHE 47 -0.461 2.777 0.341 245 HZ PHE 47 HZ PHE 47 0.007 0.547 -0.585 246 H TYR 48 HN TYR 48 -7.351 1.648 -3.071 247 HA TYR 48 HA TYR 48 -9.359 3.544 -2.173 248 HB2 TYR 48 HB2 TYR 48 -10.384 3.705 -4.429 249 HB3 TYR 48 HB1 TYR 48 -8.795 4.454 -4.350 250 HD1 TYR 48 HD1 TYR 48 -6.863 3.373 -5.447 251 HD2 TYR 48 HD2 TYR 48 -10.805 1.824 -5.832 252 HE1 TYR 48 HE1 TYR 48 -6.140 2.042 -7.384 253 HE2 TYR 48 HE2 TYR 48 -10.093 0.478 -7.764 254 HH TYR 48 HH TYR 48 -8.373 0.401 -9.432 255 H GLU 49 HN GLU 49 -11.446 2.703 -2.132 256 HA GLU 49 HA GLU 49 -11.536 -0.225 -2.110 257 HB2 GLU 49 HB2 GLU 49 -13.564 -0.001 -0.782 258 HB3 GLU 49 HB1 GLU 49 -12.269 0.945 -0.056 259 HG2 GLU 49 HG2 GLU 49 -13.206 2.976 -0.955 260 HG3 GLU 49 HG1 GLU 49 -14.445 2.062 -1.810 261 H GLU 50 HN GLU 50 -12.981 -1.369 -3.350 262 HA GLU 50 HA GLU 50 -14.781 0.234 -5.005 263 HB2 GLU 50 HB2 GLU 50 -14.504 -1.507 -6.799 264 HB3 GLU 50 HB1 GLU 50 -13.138 -0.440 -6.534 265 HG2 GLU 50 HG2 GLU 50 -12.058 -2.236 -5.217 266 HG3 GLU 50 HG1 GLU 50 -13.401 -3.299 -5.651 267 H LYS 51 HN LYS 51 -16.597 -0.042 -3.991 268 HA LYS 51 HA LYS 51 -17.566 -2.726 -3.385 269 HB2 LYS 51 HB2 LYS 51 -18.914 -0.042 -2.978 270 HB3 LYS 51 HB1 LYS 51 -19.459 -1.586 -2.344 271 HG2 LYS 51 HG2 LYS 51 -16.869 -0.245 -1.583 272 HG3 LYS 51 HG1 LYS 51 -18.368 -0.153 -0.657 273 HD2 LYS 51 HD2 LYS 51 -18.327 -2.631 -0.460 274 HD3 LYS 51 HD1 LYS 51 -16.754 -2.630 -1.260 275 HE2 LYS 51 HE2 LYS 51 -15.866 -1.203 0.531 276 HE3 LYS 51 HE1 LYS 51 -17.433 -1.247 1.334 277 HZ1 LYS 51 HZ1 LYS 51 -16.193 -2.866 2.413 278 HZ2 LYS 51 HZ2 LYS 51 -15.490 -3.441 0.981 279 HZ3 LYS 51 HZ3 LYS 51 -17.117 -3.766 1.312 280 HA PRO 52 HA PRO 52 -19.196 -3.132 -7.473 281 HB2 PRO 52 HB2 PRO 52 -21.379 -4.602 -6.067 282 HB3 PRO 52 HB1 PRO 52 -20.404 -5.095 -7.458 283 HG2 PRO 52 HG2 PRO 52 -19.918 -6.103 -5.043 284 HG3 PRO 52 HG1 PRO 52 -18.590 -5.692 -6.142 285 HD2 PRO 52 HD2 PRO 52 -19.560 -4.253 -3.720 286 HD3 PRO 52 HD1 PRO 52 -17.910 -4.417 -4.355 287 H GLY 53 HN GLY 53 -20.136 -1.438 -8.414 288 HA2 GLY 53 HA2 GLY 53 -22.186 -0.381 -9.096 289 HA3 GLY 53 HA1 GLY 53 -22.811 -0.635 -7.474 290 H GLN 54 HN GLN 54 -20.233 0.264 -6.285 291 HA GLN 54 HA GLN 54 -20.871 3.120 -6.388 292 HB2 GLN 54 HB2 GLN 54 -19.190 1.567 -4.409 293 HB3 GLN 54 HB1 GLN 54 -19.636 3.262 -4.275 294 HG2 GLN 54 HG2 GLN 54 -22.020 2.563 -4.194 295 HG3 GLN 54 HG1 GLN 54 -21.476 0.887 -4.146 296 HE21 GLN 54 HE21 GLN 54 -22.346 0.520 -2.124 297 HE22 GLN 54 HE22 GLN 54 -21.666 1.195 -0.682 298 HA PRO 55 HA PRO 55 -17.067 4.190 -8.419 299 HB2 PRO 55 HB2 PRO 55 -16.531 6.572 -7.266 300 HB3 PRO 55 HB1 PRO 55 -17.803 6.360 -8.472 301 HG2 PRO 55 HG2 PRO 55 -18.034 6.476 -5.486 302 HG3 PRO 55 HG1 PRO 55 -19.048 7.252 -6.717 303 HD2 PRO 55 HD2 PRO 55 -19.797 4.983 -5.466 304 HD3 PRO 55 HD1 PRO 55 -20.215 5.309 -7.161 305 H LYS 56 HN LYS 56 -14.838 4.314 -8.076 306 HA LYS 56 HA LYS 56 -13.935 2.897 -5.767 307 HB2 LYS 56 HB2 LYS 56 -12.190 4.315 -7.771 308 HB3 LYS 56 HB1 LYS 56 -11.754 2.953 -6.769 309 HG2 LYS 56 HG2 LYS 56 -13.470 3.025 -9.221 310 HG3 LYS 56 HG1 LYS 56 -12.035 2.049 -8.892 311 HD2 LYS 56 HD2 LYS 56 -13.239 0.730 -7.290 312 HD3 LYS 56 HD1 LYS 56 -14.636 1.795 -7.429 313 HE2 LYS 56 HE2 LYS 56 -15.161 -0.123 -8.709 314 HE3 LYS 56 HE1 LYS 56 -14.743 1.138 -9.866 315 HZ1 LYS 56 HZ1 LYS 56 -12.473 0.144 -9.936 316 HZ2 LYS 56 HZ2 LYS 56 -13.691 -0.849 -10.554 317 HZ3 LYS 56 HZ3 LYS 56 -13.051 -1.158 -9.011 318 H ARG 57 HN ARG 57 -13.439 3.734 -3.848 319 HA ARG 57 HA ARG 57 -13.207 6.664 -3.661 320 HB2 ARG 57 HB2 ARG 57 -15.145 5.583 -2.517 321 HB3 ARG 57 HB1 ARG 57 -14.014 4.687 -1.512 322 HG2 ARG 57 HG2 ARG 57 -14.584 6.447 -0.146 323 HG3 ARG 57 HG1 ARG 57 -13.101 7.039 -0.901 324 HD2 ARG 57 HD2 ARG 57 -14.491 8.859 -1.127 325 HD3 ARG 57 HD1 ARG 57 -14.735 8.038 -2.667 326 HE ARG 57 HE ARG 57 -16.587 7.564 -0.426 327 HH11 ARG 57 HH11 ARG 57 -16.003 8.596 -3.733 328 HH12 ARG 57 HH12 ARG 57 -17.681 8.914 -4.054 329 HH21 ARG 57 HH21 ARG 57 -18.802 7.975 -0.871 330 HH22 ARG 57 HH22 ARG 57 -19.265 8.556 -2.446 331 H LEU 58 HN LEU 58 -11.297 7.491 -3.068 332 HA LEU 58 HA LEU 58 -9.015 6.018 -2.453 333 HB2 LEU 58 HB2 LEU 58 -9.815 8.854 -2.330 334 HB3 LEU 58 HB1 LEU 58 -8.494 8.408 -1.266 335 HG LEU 58 HG LEU 58 -8.419 7.709 -4.190 336 HD11 LEU 58 HD11 LEU 58 -7.122 9.785 -4.519 337 HD12 LEU 58 HD12 LEU 58 -7.548 10.284 -2.882 338 HD13 LEU 58 HD13 LEU 58 -8.808 10.097 -4.103 339 HD21 LEU 58 HD21 LEU 58 -6.086 7.516 -3.835 340 HD22 LEU 58 HD22 LEU 58 -6.837 6.711 -2.453 341 HD23 LEU 58 HD23 LEU 58 -6.180 8.336 -2.278 342 H VAL 59 HN VAL 59 -8.468 4.908 -0.721 343 HA VAL 59 HA VAL 59 -9.847 5.492 1.811 344 HB VAL 59 HB VAL 59 -9.403 3.209 2.488 345 HG11 VAL 59 HG11 VAL 59 -10.551 3.283 -0.297 346 HG12 VAL 59 HG12 VAL 59 -11.425 3.675 1.182 347 HG13 VAL 59 HG13 VAL 59 -10.834 2.034 0.917 348 HG21 VAL 59 HG21 VAL 59 -8.362 1.582 0.996 349 HG22 VAL 59 HG22 VAL 59 -7.247 2.901 1.361 350 HG23 VAL 59 HG23 VAL 59 -8.072 2.848 -0.196 351 H ALA 60 HN ALA 60 -6.811 5.488 0.243 352 HA ALA 60 HA ALA 60 -5.539 6.774 2.413 353 HB1 ALA 60 HB1 ALA 60 -4.664 3.949 1.854 354 HB2 ALA 60 HB2 ALA 60 -5.414 4.550 3.327 355 HB3 ALA 60 HB3 ALA 60 -3.806 5.101 2.876 356 H ILE 61 HN ILE 61 -3.919 7.964 1.681 357 HA ILE 61 HA ILE 61 -2.636 7.208 -0.863 358 HB ILE 61 HB ILE 61 -2.517 9.887 0.550 359 HG12 ILE 61 HG12 ILE 61 -3.753 10.563 -1.665 360 HG13 ILE 61 HG11 ILE 61 -4.237 8.873 -1.690 361 HG21 ILE 61 HG21 ILE 61 -1.574 9.169 -2.217 362 HG22 ILE 61 HG22 ILE 61 -0.528 9.205 -0.799 363 HG23 ILE 61 HG23 ILE 61 -1.319 10.686 -1.349 364 HD11 ILE 61 HD11 ILE 61 -4.835 10.911 0.437 365 HD12 ILE 61 HD12 ILE 61 -5.177 9.190 0.585 366 HD13 ILE 61 HD13 ILE 61 -5.972 10.139 -0.671 367 H CYS 62 HN CYS 62 -0.718 6.177 -0.581 368 HA CYS 62 HA CYS 62 0.684 6.710 1.949 369 HB2 CYS 62 HB2 CYS 62 -0.819 4.650 2.024 370 HB3 CYS 62 HB1 CYS 62 0.309 3.910 0.887 371 H LYS 63 HN LYS 63 2.874 6.301 1.998 372 HA LYS 63 HA LYS 63 4.220 5.266 -0.344 373 HB2 LYS 63 HB2 LYS 63 5.593 7.171 -0.756 374 HB3 LYS 63 HB1 LYS 63 3.940 7.760 -0.725 375 HG2 LYS 63 HG2 LYS 63 4.283 8.529 1.586 376 HG3 LYS 63 HG1 LYS 63 5.961 7.997 1.493 377 HD2 LYS 63 HD2 LYS 63 6.127 10.254 0.982 378 HD3 LYS 63 HD1 LYS 63 6.066 9.500 -0.613 379 HE2 LYS 63 HE2 LYS 63 4.620 11.444 -0.552 380 HE3 LYS 63 HE1 LYS 63 3.664 9.974 -0.742 381 HZ1 LYS 63 HZ1 LYS 63 2.899 10.100 1.440 382 HZ2 LYS 63 HZ2 LYS 63 2.866 11.717 0.934 383 HZ3 LYS 63 HZ3 LYS 63 4.123 11.163 1.928 384 H ASN 64 HN ASN 64 6.587 5.019 0.162 385 HA ASN 64 HA ASN 64 6.807 3.998 2.857 386 HB2 ASN 64 HB2 ASN 64 7.683 2.650 1.024 387 HB3 ASN 64 HB1 ASN 64 8.769 3.953 0.549 388 HD21 ASN 64 HD21 ASN 64 10.659 4.274 1.674 389 HD22 ASN 64 HD22 ASN 64 11.233 3.156 2.876 390 H ALA 65 HN ALA 65 8.313 4.676 4.410 391 HA ALA 65 HA ALA 65 8.483 7.365 4.869 392 HB1 ALA 65 HB1 ALA 65 10.435 5.280 5.831 393 HB2 ALA 65 HB2 ALA 65 8.887 5.673 6.580 394 HB3 ALA 65 HB3 ALA 65 10.182 6.871 6.547 395 H SER 66 HN SER 66 11.204 5.379 3.705 396 HA SER 66 HA SER 66 12.562 7.814 2.833 397 HB2 SER 66 HB2 SER 66 13.597 4.968 2.847 398 HB3 SER 66 HB1 SER 66 14.542 6.444 2.646 399 HG SER 66 HG SER 66 13.360 6.877 4.861 400 HA PRO 67 HA PRO 67 11.566 6.853 -1.415 401 HB2 PRO 67 HB2 PRO 67 13.440 8.800 -2.346 402 HB3 PRO 67 HB1 PRO 67 11.697 8.982 -2.158 403 HG2 PRO 67 HG2 PRO 67 13.606 10.319 -0.658 404 HG3 PRO 67 HG1 PRO 67 11.915 10.083 -0.179 405 HD2 PRO 67 HD2 PRO 67 14.356 8.580 0.667 406 HD3 PRO 67 HD1 PRO 67 12.929 9.044 1.619 407 H VAL 68 HN VAL 68 13.943 5.551 0.039 408 HA VAL 68 HA VAL 68 15.312 4.648 -2.394 409 HB VAL 68 HB VAL 68 16.818 5.070 0.180 410 HG11 VAL 68 HG11 VAL 68 17.943 4.840 -2.587 411 HG12 VAL 68 HG12 VAL 68 17.514 3.414 -1.652 412 HG13 VAL 68 HG13 VAL 68 18.732 4.535 -1.038 413 HG21 VAL 68 HG21 VAL 68 17.817 7.067 -0.797 414 HG22 VAL 68 HG22 VAL 68 16.071 7.262 -0.642 415 HG23 VAL 68 HG23 VAL 68 16.784 6.908 -2.217 416 H HIS 69 HN HIS 69 15.768 3.942 1.048 417 HA HIS 69 HA HIS 69 15.539 1.107 0.529 418 HB2 HIS 69 HB2 HIS 69 15.710 2.421 3.246 419 HB3 HIS 69 HB1 HIS 69 16.130 0.770 2.825 420 HD1 HIS 69 HD1 HIS 69 18.484 0.330 1.949 421 HD2 HIS 69 HD2 HIS 69 17.655 4.365 2.539 422 HE1 HIS 69 HE1 HIS 69 20.697 1.519 1.750 423 HE2 HIS 69 HE2 HIS 69 20.193 3.919 2.350 424 H CYS 70 HN CYS 70 14.019 -0.249 1.768 425 HA CYS 70 HA CYS 70 11.434 1.109 2.010 426 HB2 CYS 70 HB2 CYS 70 11.661 -0.910 0.518 427 HB3 CYS 70 HB1 CYS 70 11.953 -1.869 1.964 428 HG CYS 70 HG CYS 70 9.367 -0.837 3.022 429 H ASN 71 HN ASN 71 10.589 1.509 3.916 430 HA ASN 71 HA ASN 71 11.828 0.283 6.300 431 HB2 ASN 71 HB2 ASN 71 10.477 2.982 6.000 432 HB3 ASN 71 HB1 ASN 71 11.148 2.345 7.493 433 HD21 ASN 71 HD21 ASN 71 12.391 4.240 7.592 434 HD22 ASN 71 HD22 ASN 71 13.856 4.388 6.667 435 H TYR 72 HN TYR 72 8.985 2.263 6.052 436 HA TYR 72 HA TYR 72 7.139 0.036 6.333 437 HB2 TYR 72 HB2 TYR 72 7.292 2.336 8.308 438 HB3 TYR 72 HB1 TYR 72 5.942 1.215 8.198 439 HD1 TYR 72 HD2 TYR 72 6.495 -1.297 8.539 440 HD2 TYR 72 HD1 TYR 72 9.069 1.870 9.745 441 HE1 TYR 72 HE2 TYR 72 7.615 -2.814 10.117 442 HE2 TYR 72 HE1 TYR 72 10.194 0.359 11.326 443 HH TYR 72 HH TYR 72 9.587 -1.771 12.589 444 H LEU 73 HN LEU 73 4.805 1.262 6.483 445 HA LEU 73 HA LEU 73 4.879 3.012 4.135 446 HB2 LEU 73 HB2 LEU 73 2.703 1.266 5.267 447 HB3 LEU 73 HB1 LEU 73 2.406 2.451 4.010 448 HG LEU 73 HG LEU 73 4.041 -0.065 3.849 449 HD11 LEU 73 HD11 LEU 73 2.564 -0.456 1.901 450 HD12 LEU 73 HD12 LEU 73 1.697 1.035 2.293 451 HD13 LEU 73 HD13 LEU 73 1.688 -0.322 3.425 452 HD21 LEU 73 HD21 LEU 73 5.425 1.594 2.822 453 HD22 LEU 73 HD22 LEU 73 4.051 2.285 1.961 454 HD23 LEU 73 HD23 LEU 73 4.637 0.675 1.538 455 H LYS 74 HN LYS 74 4.550 5.067 4.375 456 HA LYS 74 HA LYS 74 3.157 6.083 6.754 457 HB2 LYS 74 HB2 LYS 74 5.451 6.921 5.295 458 HB3 LYS 74 HB1 LYS 74 4.213 8.144 5.047 459 HG2 LYS 74 HG2 LYS 74 5.673 8.652 6.947 460 HG3 LYS 74 HG1 LYS 74 3.986 8.460 7.426 461 HD2 LYS 74 HD2 LYS 74 4.411 6.272 8.290 462 HD3 LYS 74 HD1 LYS 74 6.044 6.265 7.622 463 HE2 LYS 74 HE2 LYS 74 6.737 7.985 9.123 464 HE3 LYS 74 HE1 LYS 74 5.085 8.236 9.688 465 HZ1 LYS 74 HZ1 LYS 74 6.771 5.829 10.132 466 HZ2 LYS 74 HZ2 LYS 74 5.139 5.944 10.574 467 HZ3 LYS 74 HZ3 LYS 74 6.282 6.960 11.297 468 H CYS 75 HN CYS 75 1.004 6.183 6.375 469 HA CYS 75 HA CYS 75 0.146 7.054 3.692 470 HB2 CYS 75 HB2 CYS 75 -1.655 5.465 5.470 471 HB3 CYS 75 HB1 CYS 75 -1.574 5.514 3.713 472 H THR 76 HN THR 76 -1.628 8.451 3.530 473 HA THR 76 HA THR 76 -2.534 9.649 6.056 474 HB THR 76 HB THR 76 -0.872 11.124 4.894 475 HG1 THR 76 HG1 THR 76 -1.985 12.652 5.815 476 HG21 THR 76 HG21 THR 76 -3.013 11.276 2.767 477 HG22 THR 76 HG22 THR 76 -1.400 10.587 2.577 478 HG23 THR 76 HG23 THR 76 -1.593 12.317 2.860 479 H ASN 77 HN ASN 77 -4.635 10.643 5.936 480 HA ASN 77 HA ASN 77 -6.847 10.662 5.474 481 HB2 ASN 77 HB2 ASN 77 -6.041 11.608 3.282 482 HB3 ASN 77 HB1 ASN 77 -6.131 9.983 2.617 483 HD21 ASN 77 HD21 ASN 77 -7.712 10.507 1.131 484 HD22 ASN 77 HD22 ASN 77 -9.344 10.864 1.579 485 H LEU 78 HN LEU 78 -6.295 8.575 6.747 486 HA LEU 78 HA LEU 78 -6.816 6.092 5.389 487 HB2 LEU 78 HB2 LEU 78 -6.732 6.738 8.339 488 HB3 LEU 78 HB1 LEU 78 -6.821 5.122 7.662 489 HG LEU 78 HG LEU 78 -4.531 7.052 7.275 490 HD11 LEU 78 HD11 LEU 78 -4.747 4.568 8.968 491 HD12 LEU 78 HD12 LEU 78 -4.656 6.224 9.562 492 HD13 LEU 78 HD13 LEU 78 -3.282 5.518 8.711 493 HD21 LEU 78 HD21 LEU 78 -3.377 5.187 6.247 494 HD22 LEU 78 HD22 LEU 78 -4.875 5.521 5.376 495 HD23 LEU 78 HD23 LEU 78 -4.786 4.153 6.485 496 H ALA 79 HN ALA 79 -8.714 5.071 5.124 497 HA ALA 79 HA ALA 79 -11.100 6.566 5.867 498 HB1 ALA 79 HB1 ALA 79 -12.285 5.140 4.311 499 HB2 ALA 79 HB2 ALA 79 -10.854 4.137 4.099 500 HB3 ALA 79 HB3 ALA 79 -10.842 5.811 3.551 501 H ALA 80 HN ALA 80 -10.475 5.895 8.146 502 HA ALA 80 HA ALA 80 -11.093 4.884 10.067 503 HB1 ALA 80 HB1 ALA 80 -13.283 3.825 10.173 504 HB2 ALA 80 HB2 ALA 80 -13.346 3.750 8.411 505 HB3 ALA 80 HB3 ALA 80 -13.347 5.313 9.230 506 H GLY 81 HN GLY 81 -12.398 2.188 8.227 507 HA2 GLY 81 HA2 GLY 81 -10.675 0.379 9.690 508 HA3 GLY 81 HA1 GLY 81 -11.965 -0.067 8.582 509 H PHE 82 HN PHE 82 -10.458 2.059 6.778 510 HA PHE 82 HA PHE 82 -8.741 0.052 5.524 511 HB2 PHE 82 HB2 PHE 82 -9.768 2.709 4.525 512 HB3 PHE 82 HB1 PHE 82 -8.692 1.667 3.613 513 HD1 PHE 82 HD2 PHE 82 -9.491 -0.492 2.759 514 HD2 PHE 82 HD1 PHE 82 -12.096 2.266 4.689 515 HE1 PHE 82 HE2 PHE 82 -11.432 -1.662 1.801 516 HE2 PHE 82 HE1 PHE 82 -14.040 1.095 3.738 517 HZ PHE 82 HZ PHE 82 -13.712 -0.867 2.293 518 H SER 83 HN SER 83 -6.712 0.049 6.135 519 HA SER 83 HA SER 83 -5.204 2.543 6.024 520 HB2 SER 83 HB2 SER 83 -4.992 0.580 8.330 521 HB3 SER 83 HB1 SER 83 -4.013 2.032 8.107 522 HG SER 83 HG SER 83 -6.610 2.674 7.963 523 H ALA 84 HN ALA 84 -2.724 1.844 6.145 524 HA ALA 84 HA ALA 84 -2.561 -0.558 4.446 525 HB1 ALA 84 HB1 ALA 84 -0.504 0.364 3.526 526 HB2 ALA 84 HB2 ALA 84 -0.630 1.750 4.607 527 HB3 ALA 84 HB3 ALA 84 -1.839 1.504 3.350 528 H GLY 85 HN GLY 85 -0.485 -1.774 4.626 529 HA2 GLY 85 HA2 GLY 85 0.219 -1.987 7.490 530 HA3 GLY 85 HA1 GLY 85 0.027 -3.380 6.428 531 H THR 86 HN THR 86 1.930 -4.264 6.089 532 HA THR 86 HA THR 86 4.282 -2.542 5.746 533 HB THR 86 HB THR 86 4.406 -4.284 7.517 534 HG1 THR 86 HG1 THR 86 6.470 -4.605 7.069 535 HG21 THR 86 HG21 THR 86 2.987 -5.976 6.438 536 HG22 THR 86 HG22 THR 86 4.548 -6.641 6.915 537 HG23 THR 86 HG23 THR 86 4.241 -6.242 5.225 538 H SER 87 HN SER 87 5.954 -3.945 4.236 539 HA SER 87 HA SER 87 4.465 -4.849 1.873 540 HB2 SER 87 HB2 SER 87 6.363 -3.676 0.537 541 HB3 SER 87 HB1 SER 87 5.048 -2.691 1.178 542 HG SER 87 HG SER 87 7.540 -3.101 2.477 543 H THR 88 HN THR 88 5.448 -6.498 0.700 544 HA THR 88 HA THR 88 7.927 -7.631 1.776 545 HB THR 88 HB THR 88 6.789 -9.875 1.900 546 HG1 THR 88 HG1 THR 88 4.827 -9.852 1.089 547 HG21 THR 88 HG21 THR 88 5.850 -7.704 3.777 548 HG22 THR 88 HG22 THR 88 7.318 -8.670 3.938 549 HG23 THR 88 HG23 THR 88 5.735 -9.433 4.104 550 H ASP 89 HN ASP 89 7.719 -10.095 0.585 551 HA ASP 89 HA ASP 89 7.640 -11.381 -1.256 552 HB2 ASP 89 HB2 ASP 89 5.420 -10.316 -1.664 553 HB3 ASP 89 HB1 ASP 89 6.234 -9.140 -2.695 554 H VAL 90 HN VAL 90 8.150 -8.079 -2.537 555 HA VAL 90 HA VAL 90 10.259 -9.145 -4.189 556 HB VAL 90 HB VAL 90 10.513 -6.626 -4.815 557 HG11 VAL 90 HG11 VAL 90 8.700 -6.878 -6.438 558 HG12 VAL 90 HG12 VAL 90 8.030 -8.204 -5.484 559 HG13 VAL 90 HG13 VAL 90 9.604 -8.384 -6.260 560 HG21 VAL 90 HG21 VAL 90 9.030 -5.982 -2.828 561 HG22 VAL 90 HG22 VAL 90 7.682 -6.562 -3.809 562 HG23 VAL 90 HG23 VAL 90 8.678 -5.228 -4.382 563 H LEU 91 HN LEU 91 9.974 -7.248 -1.260 564 HA LEU 91 HA LEU 91 12.836 -6.769 -1.217 565 HB2 LEU 91 HB2 LEU 91 12.417 -5.527 0.851 566 HB3 LEU 91 HB1 LEU 91 11.459 -4.949 -0.495 567 HG LEU 91 HG LEU 91 9.651 -6.584 0.594 568 HD11 LEU 91 HD11 LEU 91 11.348 -5.702 2.923 569 HD12 LEU 91 HD12 LEU 91 11.094 -7.363 2.386 570 HD13 LEU 91 HD13 LEU 91 9.746 -6.428 3.034 571 HD21 LEU 91 HD21 LEU 91 8.732 -4.623 1.717 572 HD22 LEU 91 HD22 LEU 91 9.371 -4.213 0.124 573 HD23 LEU 91 HD23 LEU 91 10.289 -3.808 1.575 574 H SER 92 HN SER 92 10.476 -8.828 0.385 575 HA SER 92 HA SER 92 12.597 -9.909 2.084 576 HB2 SER 92 HB2 SER 92 10.705 -11.093 3.243 577 HB3 SER 92 HB1 SER 92 10.636 -9.332 3.319 578 HG SER 92 HG SER 92 8.659 -10.620 2.721 579 H SER 93 HN SER 93 10.805 -10.591 -0.701 580 HA SER 93 HA SER 93 11.344 -12.039 -2.371 581 HB2 SER 93 HB2 SER 93 13.620 -12.228 -1.213 582 HB3 SER 93 HB1 SER 93 12.994 -13.708 -0.487 583 HG SER 93 HG SER 93 13.244 -14.704 -2.320 584 H GLY 94 HN GLY 94 9.143 -12.545 -2.325 585 HA2 GLY 94 HA2 GLY 94 7.712 -14.317 -2.808 586 HA3 GLY 94 HA1 GLY 94 8.774 -15.396 -1.924 587 H THR 95 HN THR 95 6.040 -13.250 -1.746 588 HA THR 95 HA THR 95 5.309 -14.597 0.756 589 HB THR 95 HB THR 95 4.263 -12.510 1.626 590 HG1 THR 95 HG1 THR 95 5.064 -11.566 -0.758 591 HG21 THR 95 HG21 THR 95 7.248 -12.475 1.249 592 HG22 THR 95 HG22 THR 95 6.362 -13.282 2.543 593 HG23 THR 95 HG23 THR 95 6.368 -11.520 2.440 594 H VAL 96 HN VAL 96 3.086 -12.311 0.434 595 HA VAL 96 HA VAL 96 1.458 -13.803 -1.514 596 HB VAL 96 HB VAL 96 -0.539 -13.270 -0.174 597 HG11 VAL 96 HG11 VAL 96 -0.139 -14.854 1.656 598 HG12 VAL 96 HG12 VAL 96 1.595 -14.753 1.349 599 HG13 VAL 96 HG13 VAL 96 0.522 -15.428 0.125 600 HG21 VAL 96 HG21 VAL 96 1.423 -12.228 1.868 601 HG22 VAL 96 HG22 VAL 96 -0.303 -12.469 2.134 602 HG23 VAL 96 HG23 VAL 96 0.249 -11.271 0.962 603 H GLY 97 HN GLY 97 0.033 -12.581 -2.791 604 HA2 GLY 97 HA2 GLY 97 -1.082 -10.491 -3.286 605 HA3 GLY 97 HA1 GLY 97 0.285 -9.655 -2.563 606 H SER 98 HN SER 98 -0.705 -9.025 -5.085 607 HA SER 98 HA SER 98 1.661 -9.625 -6.695 608 HB2 SER 98 HB2 SER 98 -0.225 -11.126 -7.413 609 HB3 SER 98 HB1 SER 98 -1.158 -9.684 -7.809 610 HG SER 98 HG SER 98 0.723 -9.148 -9.207 Start of MODEL 15 1 H1 SER 19 HT1 SER 19 20.908 0.621 -4.394 2 H2 SER 19 HT2 SER 19 19.472 1.108 -5.148 3 H3 SER 19 HT3 SER 19 19.436 -0.097 -3.960 4 HA SER 19 HA SER 19 20.207 1.509 -2.311 5 HB2 SER 19 HB2 SER 19 19.724 3.517 -4.529 6 HB3 SER 19 HB1 SER 19 20.234 3.879 -2.879 7 HG SER 19 HG SER 19 22.220 3.370 -3.374 8 H PHE 20 HN PHE 20 17.850 2.717 -4.719 9 HA PHE 20 HA PHE 20 15.811 2.707 -2.659 10 HB2 PHE 20 HB2 PHE 20 14.354 3.732 -4.417 11 HB3 PHE 20 HB1 PHE 20 15.788 4.667 -4.032 12 HD1 PHE 20 HD1 PHE 20 14.170 2.547 -6.556 13 HD2 PHE 20 HD2 PHE 20 17.480 5.068 -5.665 14 HE1 PHE 20 HE1 PHE 20 14.744 2.630 -8.946 15 HE2 PHE 20 HE2 PHE 20 18.063 5.151 -8.053 16 HZ PHE 20 HZ PHE 20 16.695 3.932 -9.697 17 H VAL 21 HN VAL 21 14.001 1.444 -2.673 18 HA VAL 21 HA VAL 21 14.220 -0.925 -4.402 19 HB VAL 21 HB VAL 21 14.988 -1.651 -2.309 20 HG11 VAL 21 HG11 VAL 21 12.652 -0.268 -1.006 21 HG12 VAL 21 HG12 VAL 21 14.286 0.382 -1.108 22 HG13 VAL 21 HG13 VAL 21 13.981 -1.097 -0.194 23 HG21 VAL 21 HG21 VAL 21 13.189 -3.085 -3.280 24 HG22 VAL 21 HG22 VAL 21 12.044 -2.280 -2.204 25 HG23 VAL 21 HG23 VAL 21 13.364 -3.232 -1.532 26 H GLN 22 HN GLN 22 12.420 -1.710 -5.317 27 HA GLN 22 HA GLN 22 9.897 -0.305 -4.815 28 HB2 GLN 22 HB2 GLN 22 9.134 -1.327 -6.931 29 HB3 GLN 22 HB1 GLN 22 10.589 -0.367 -7.143 30 HG2 GLN 22 HG2 GLN 22 11.149 -2.175 -8.378 31 HG3 GLN 22 HG1 GLN 22 11.763 -2.698 -6.814 32 HE21 GLN 22 HE21 GLN 22 8.358 -2.581 -7.682 33 HE22 GLN 22 HE22 GLN 22 8.116 -4.299 -7.679 34 H CYS 23 HN CYS 23 8.022 -1.398 -4.215 35 HA CYS 23 HA CYS 23 8.135 -4.240 -3.713 36 HB2 CYS 23 HB2 CYS 23 7.669 -3.896 -1.246 37 HB3 CYS 23 HB1 CYS 23 9.315 -3.557 -1.771 38 HG CYS 23 HG CYS 23 8.964 -1.565 -0.024 39 H ASN 24 HN ASN 24 6.131 -5.103 -2.882 40 HA ASN 24 HA ASN 24 3.851 -3.678 -3.928 41 HB2 ASN 24 HB2 ASN 24 2.643 -5.784 -2.981 42 HB3 ASN 24 HB1 ASN 24 3.674 -5.953 -4.395 43 HD21 ASN 24 HD21 ASN 24 5.620 -7.032 -4.212 44 HD22 ASN 24 HD22 ASN 24 6.019 -8.012 -2.844 45 H HIS 25 HN HIS 25 2.905 -2.166 -2.784 46 HA HIS 25 HA HIS 25 3.150 -2.080 0.101 47 HB2 HIS 25 HB2 HIS 25 1.628 -0.242 -1.765 48 HB3 HIS 25 HB1 HIS 25 1.958 0.061 -0.064 49 HD1 HIS 25 HD1 HIS 25 4.991 -1.282 -0.991 50 HD2 HIS 25 HD2 HIS 25 3.131 2.300 -1.959 51 HE1 HIS 25 HE1 HIS 25 6.839 0.266 -1.701 52 HE2 HIS 25 HE2 HIS 25 5.664 2.343 -2.497 53 H HIS 26 HN HIS 26 1.807 -3.114 1.387 54 HA HIS 26 HA HIS 26 -0.631 -4.244 0.283 55 HB2 HIS 26 HB2 HIS 26 0.869 -4.689 2.861 56 HB3 HIS 26 HB1 HIS 26 -0.727 -5.372 2.584 57 HD1 HIS 26 HD1 HIS 26 -0.325 -7.784 2.248 58 HD2 HIS 26 HD2 HIS 26 2.388 -5.445 0.136 59 HE1 HIS 26 HE1 HIS 26 1.014 -9.392 0.849 60 HE2 HIS 26 HE2 HIS 26 2.793 -7.970 -0.232 61 H LEU 27 HN LEU 27 -2.585 -3.501 0.617 62 HA LEU 27 HA LEU 27 -3.043 -1.489 2.702 63 HB2 LEU 27 HB2 LEU 27 -3.799 -1.232 0.232 64 HB3 LEU 27 HB1 LEU 27 -5.039 -2.413 0.629 65 HG LEU 27 HG LEU 27 -5.879 -0.094 0.698 66 HD11 LEU 27 HD11 LEU 27 -7.018 -0.198 2.811 67 HD12 LEU 27 HD12 LEU 27 -5.806 -1.315 3.445 68 HD13 LEU 27 HD13 LEU 27 -6.885 -1.829 2.143 69 HD21 LEU 27 HD21 LEU 27 -3.822 1.016 1.391 70 HD22 LEU 27 HD22 LEU 27 -3.950 0.269 2.981 71 HD23 LEU 27 HD23 LEU 27 -5.168 1.429 2.455 72 H LEU 28 HN LEU 28 -4.121 -2.015 4.498 73 HA LEU 28 HA LEU 28 -5.009 -4.800 4.730 74 HB2 LEU 28 HB2 LEU 28 -3.287 -3.264 6.301 75 HB3 LEU 28 HB1 LEU 28 -4.776 -3.342 7.224 76 HG LEU 28 HG LEU 28 -3.343 -5.128 7.924 77 HD11 LEU 28 HD11 LEU 28 -4.742 -7.075 7.480 78 HD12 LEU 28 HD12 LEU 28 -5.541 -6.202 6.173 79 HD13 LEU 28 HD13 LEU 28 -5.715 -5.649 7.839 80 HD21 LEU 28 HD21 LEU 28 -1.869 -5.351 6.082 81 HD22 LEU 28 HD22 LEU 28 -3.190 -5.781 5.000 82 HD23 LEU 28 HD23 LEU 28 -2.689 -6.903 6.266 83 H TYR 29 HN TYR 29 -7.080 -5.159 4.802 84 HA TYR 29 HA TYR 29 -8.926 -3.021 5.544 85 HB2 TYR 29 HB2 TYR 29 -9.471 -4.243 3.497 86 HB3 TYR 29 HB1 TYR 29 -9.385 -5.776 4.357 87 HD1 TYR 29 HD1 TYR 29 -11.278 -2.564 4.283 88 HD2 TYR 29 HD2 TYR 29 -11.315 -6.700 5.284 89 HE1 TYR 29 HE1 TYR 29 -13.685 -2.420 4.770 90 HE2 TYR 29 HE2 TYR 29 -13.719 -6.564 5.779 91 HH TYR 29 HH TYR 29 -15.398 -4.916 6.374 92 H ASN 30 HN ASN 30 -10.217 -3.181 7.350 93 HA ASN 30 HA ASN 30 -9.185 -4.483 9.567 94 HB2 ASN 30 HB2 ASN 30 -11.316 -3.915 10.701 95 HB3 ASN 30 HB1 ASN 30 -10.626 -2.560 9.824 96 HD21 ASN 30 HD21 ASN 30 -11.620 -1.889 7.876 97 HD22 ASN 30 HD22 ASN 30 -13.284 -2.243 7.571 98 H GLY 31 HN GLY 31 -8.858 -6.591 9.567 99 HA2 GLY 31 HA2 GLY 31 -10.152 -8.635 10.269 100 HA3 GLY 31 HA1 GLY 31 -11.112 -8.344 8.826 101 H ARG 32 HN ARG 32 -8.996 -7.625 7.054 102 HA ARG 32 HA ARG 32 -7.068 -9.719 6.941 103 HB2 ARG 32 HB2 ARG 32 -9.297 -10.903 6.529 104 HB3 ARG 32 HB1 ARG 32 -9.349 -10.045 4.998 105 HG2 ARG 32 HG2 ARG 32 -8.502 -12.257 4.638 106 HG3 ARG 32 HG1 ARG 32 -7.194 -11.098 4.383 107 HD2 ARG 32 HD2 ARG 32 -6.296 -11.569 6.573 108 HD3 ARG 32 HD1 ARG 32 -7.663 -12.619 6.943 109 HE ARG 32 HE ARG 32 -6.461 -13.626 4.644 110 HH11 ARG 32 HH11 ARG 32 -5.585 -13.079 7.998 111 HH12 ARG 32 HH12 ARG 32 -4.515 -14.448 8.069 112 HH21 ARG 32 HH21 ARG 32 -5.046 -15.435 4.751 113 HH22 ARG 32 HH22 ARG 32 -4.210 -15.774 6.241 114 H HIS 33 HN HIS 33 -5.678 -9.553 5.191 115 HA HIS 33 HA HIS 33 -5.008 -7.333 3.873 116 HB2 HIS 33 HB2 HIS 33 -3.578 -9.099 3.548 117 HB3 HIS 33 HB1 HIS 33 -4.873 -10.231 3.217 118 HD1 HIS 33 HD1 HIS 33 -4.868 -11.054 0.918 119 HD2 HIS 33 HD2 HIS 33 -3.313 -7.201 1.146 120 HE1 HIS 33 HE1 HIS 33 -4.178 -10.466 -1.424 121 HE2 HIS 33 HE2 HIS 33 -3.464 -8.061 -1.300 122 H TRP 34 HN TRP 34 -5.855 -5.958 2.452 123 HA TRP 34 HA TRP 34 -8.295 -6.710 1.032 124 HB2 TRP 34 HB2 TRP 34 -8.231 -4.582 2.309 125 HB3 TRP 34 HB1 TRP 34 -6.952 -4.005 1.245 126 HD1 TRP 34 HD1 TRP 34 -10.706 -4.747 1.284 127 HE1 TRP 34 HE1 TRP 34 -11.799 -3.597 -0.742 128 HE3 TRP 34 HE3 TRP 34 -6.484 -3.131 -1.106 129 HZ2 TRP 34 HZ2 TRP 34 -10.973 -2.187 -3.053 130 HZ3 TRP 34 HZ3 TRP 34 -6.719 -1.891 -3.215 131 HH2 TRP 34 HH2 TRP 34 -8.919 -1.429 -4.170 132 H GLY 35 HN GLY 35 -5.194 -5.097 0.258 133 HA2 GLY 35 HA2 GLY 35 -4.907 -6.571 -2.183 134 HA3 GLY 35 HA1 GLY 35 -5.450 -4.924 -2.472 135 H THR 36 HN THR 36 -3.221 -5.161 -3.660 136 HA THR 36 HA THR 36 -1.356 -3.696 -2.023 137 HB THR 36 HB THR 36 -0.799 -6.125 -1.619 138 HG1 THR 36 HG1 THR 36 0.719 -4.121 -1.804 139 HG21 THR 36 HG21 THR 36 0.111 -6.006 -4.495 140 HG22 THR 36 HG22 THR 36 -1.227 -6.978 -3.878 141 HG23 THR 36 HG23 THR 36 0.426 -7.322 -3.367 142 H ILE 37 HN ILE 37 0.117 -2.476 -3.227 143 HA ILE 37 HA ILE 37 -0.154 -2.648 -6.151 144 HB ILE 37 HB ILE 37 0.000 -0.158 -4.447 145 HG12 ILE 37 HG12 ILE 37 -1.987 0.459 -5.982 146 HG13 ILE 37 HG11 ILE 37 -2.042 -1.259 -6.361 147 HG21 ILE 37 HG21 ILE 37 0.127 1.127 -6.549 148 HG22 ILE 37 HG22 ILE 37 0.363 -0.380 -7.431 149 HG23 ILE 37 HG23 ILE 37 1.562 0.145 -6.251 150 HD11 ILE 37 HD11 ILE 37 -2.431 -1.784 -4.032 151 HD12 ILE 37 HD12 ILE 37 -3.630 -0.627 -4.609 152 HD13 ILE 37 HD13 ILE 37 -2.290 -0.079 -3.605 153 H ARG 38 HN ARG 38 1.722 -2.936 -7.186 154 HA ARG 38 HA ARG 38 4.168 -3.073 -5.669 155 HB2 ARG 38 HB2 ARG 38 3.426 -4.588 -7.622 156 HB3 ARG 38 HB1 ARG 38 3.926 -3.266 -8.666 157 HG2 ARG 38 HG2 ARG 38 5.757 -4.679 -8.619 158 HG3 ARG 38 HG1 ARG 38 6.170 -3.403 -7.470 159 HD2 ARG 38 HD2 ARG 38 6.729 -5.640 -6.616 160 HD3 ARG 38 HD1 ARG 38 5.530 -4.823 -5.614 161 HE ARG 38 HE ARG 38 3.878 -6.227 -7.030 162 HH11 ARG 38 HH11 ARG 38 7.088 -7.300 -6.132 163 HH12 ARG 38 HH12 ARG 38 6.632 -8.971 -5.981 164 HH21 ARG 38 HH21 ARG 38 3.287 -8.424 -6.915 165 HH22 ARG 38 HH22 ARG 38 4.479 -9.621 -6.479 166 H LYS 39 HN LYS 39 4.738 -1.005 -5.035 167 HA LYS 39 HA LYS 39 5.329 0.881 -7.215 168 HB2 LYS 39 HB2 LYS 39 3.272 1.525 -5.935 169 HB3 LYS 39 HB1 LYS 39 4.266 1.651 -4.490 170 HG2 LYS 39 HG2 LYS 39 3.905 3.841 -5.429 171 HG3 LYS 39 HG1 LYS 39 5.606 3.398 -5.589 172 HD2 LYS 39 HD2 LYS 39 5.011 4.348 -7.662 173 HD3 LYS 39 HD1 LYS 39 5.019 2.604 -7.933 174 HE2 LYS 39 HE2 LYS 39 3.072 3.486 -8.986 175 HE3 LYS 39 HE1 LYS 39 2.542 2.622 -7.540 176 HZ1 LYS 39 HZ1 LYS 39 1.397 4.717 -7.688 177 HZ2 LYS 39 HZ2 LYS 39 2.857 5.565 -7.836 178 HZ3 LYS 39 HZ3 LYS 39 2.474 4.785 -6.385 179 H LYS 40 HN LYS 40 7.181 2.077 -7.012 180 HA LYS 40 HA LYS 40 9.281 0.983 -5.440 181 HB2 LYS 40 HB2 LYS 40 9.340 3.650 -6.842 182 HB3 LYS 40 HB1 LYS 40 10.677 2.543 -6.557 183 HG2 LYS 40 HG2 LYS 40 9.697 0.956 -8.132 184 HG3 LYS 40 HG1 LYS 40 8.362 2.070 -8.421 185 HD2 LYS 40 HD2 LYS 40 9.927 2.317 -10.207 186 HD3 LYS 40 HD1 LYS 40 10.043 3.753 -9.185 187 HE2 LYS 40 HE2 LYS 40 12.052 2.997 -8.200 188 HE3 LYS 40 HE1 LYS 40 11.861 1.380 -8.876 189 HZ1 LYS 40 HZ1 LYS 40 12.660 3.877 -10.238 190 HZ2 LYS 40 HZ2 LYS 40 11.977 2.599 -11.116 191 HZ3 LYS 40 HZ3 LYS 40 13.415 2.356 -10.255 192 H ALA 41 HN ALA 41 10.457 1.979 -3.738 193 HA ALA 41 HA ALA 41 8.986 3.415 -1.824 194 HB1 ALA 41 HB1 ALA 41 11.969 3.092 -2.127 195 HB2 ALA 41 HB2 ALA 41 10.883 2.094 -1.161 196 HB3 ALA 41 HB3 ALA 41 11.172 3.773 -0.709 197 H GLY 42 HN GLY 42 8.939 5.555 -1.250 198 HA2 GLY 42 HA2 GLY 42 9.418 7.845 -1.441 199 HA3 GLY 42 HA1 GLY 42 10.363 7.507 -2.883 200 H TRP 43 HN TRP 43 8.153 5.853 -3.971 201 HA TRP 43 HA TRP 43 6.763 8.026 -5.282 202 HB2 TRP 43 HB2 TRP 43 6.733 5.033 -5.715 203 HB3 TRP 43 HB1 TRP 43 5.810 6.174 -6.686 204 HD1 TRP 43 HD1 TRP 43 9.569 5.868 -5.682 205 HE1 TRP 43 HE1 TRP 43 10.972 6.310 -7.796 206 HE3 TRP 43 HE3 TRP 43 5.779 6.729 -8.998 207 HZ2 TRP 43 HZ2 TRP 43 10.525 6.934 -10.511 208 HZ3 TRP 43 HZ3 TRP 43 6.350 7.237 -11.339 209 HH2 TRP 43 HH2 TRP 43 8.678 7.338 -12.077 210 H ALA 44 HN ALA 44 4.758 8.671 -4.853 211 HA ALA 44 HA ALA 44 3.353 7.577 -2.622 212 HB1 ALA 44 HB1 ALA 44 3.426 10.022 -3.583 213 HB2 ALA 44 HB2 ALA 44 2.002 9.418 -2.745 214 HB3 ALA 44 HB3 ALA 44 2.030 9.466 -4.510 215 H VAL 45 HN VAL 45 1.612 6.248 -2.563 216 HA VAL 45 HA VAL 45 0.700 5.180 -5.151 217 HB VAL 45 HB VAL 45 2.151 3.570 -4.062 218 HG11 VAL 45 HG11 VAL 45 1.472 2.525 -1.917 219 HG12 VAL 45 HG12 VAL 45 0.328 3.847 -1.722 220 HG13 VAL 45 HG13 VAL 45 2.048 4.186 -1.788 221 HG21 VAL 45 HG21 VAL 45 0.698 1.651 -4.027 222 HG22 VAL 45 HG22 VAL 45 0.214 2.750 -5.320 223 HG23 VAL 45 HG23 VAL 45 -0.711 2.696 -3.819 224 H ARG 46 HN ARG 46 -1.476 4.715 -5.367 225 HA ARG 46 HA ARG 46 -3.162 6.088 -3.436 226 HB2 ARG 46 HB2 ARG 46 -4.618 6.498 -5.135 227 HB3 ARG 46 HB1 ARG 46 -3.186 6.227 -6.110 228 HG2 ARG 46 HG2 ARG 46 -5.258 4.120 -5.511 229 HG3 ARG 46 HG1 ARG 46 -5.239 5.119 -6.961 230 HD2 ARG 46 HD2 ARG 46 -3.025 3.247 -6.122 231 HD3 ARG 46 HD1 ARG 46 -4.275 2.864 -7.300 232 HE ARG 46 HE ARG 46 -2.984 5.232 -8.089 233 HH11 ARG 46 HH11 ARG 46 -2.453 1.782 -7.844 234 HH12 ARG 46 HH12 ARG 46 -1.227 1.748 -9.077 235 HH21 ARG 46 HH21 ARG 46 -1.396 5.197 -9.733 236 HH22 ARG 46 HH22 ARG 46 -0.619 3.692 -10.149 237 H PHE 47 HN PHE 47 -4.720 5.137 -2.225 238 HA PHE 47 HA PHE 47 -5.312 2.301 -2.727 239 HB2 PHE 47 HB2 PHE 47 -4.916 3.633 -0.035 240 HB3 PHE 47 HB1 PHE 47 -5.597 2.024 -0.256 241 HD1 PHE 47 HD1 PHE 47 -4.122 0.366 -1.638 242 HD2 PHE 47 HD2 PHE 47 -2.650 3.843 0.324 243 HE1 PHE 47 HE1 PHE 47 -1.869 -0.615 -1.603 244 HE2 PHE 47 HE2 PHE 47 -0.392 2.865 0.359 245 HZ PHE 47 HZ PHE 47 0.002 0.636 -0.607 246 H TYR 48 HN TYR 48 -7.454 1.794 -2.674 247 HA TYR 48 HA TYR 48 -9.372 3.878 -1.929 248 HB2 TYR 48 HB2 TYR 48 -10.530 3.567 -4.134 249 HB3 TYR 48 HB1 TYR 48 -8.956 4.345 -4.260 250 HD1 TYR 48 HD2 TYR 48 -10.821 1.223 -4.865 251 HD2 TYR 48 HD1 TYR 48 -7.152 3.299 -5.440 252 HE1 TYR 48 HE2 TYR 48 -10.124 -0.476 -6.498 253 HE2 TYR 48 HE1 TYR 48 -6.444 1.607 -7.075 254 HH TYR 48 HH TYR 48 -8.615 -0.804 -8.294 255 H GLU 49 HN GLU 49 -11.626 3.064 -2.072 256 HA GLU 49 HA GLU 49 -11.731 0.194 -1.445 257 HB2 GLU 49 HB2 GLU 49 -13.810 0.667 -0.245 258 HB3 GLU 49 HB1 GLU 49 -12.512 1.680 0.366 259 HG2 GLU 49 HG2 GLU 49 -13.364 3.541 -1.019 260 HG3 GLU 49 HG1 GLU 49 -14.699 2.505 -1.522 261 H GLU 50 HN GLU 50 -12.657 -1.094 -2.884 262 HA GLU 50 HA GLU 50 -14.556 0.087 -4.781 263 HB2 GLU 50 HB2 GLU 50 -13.889 -1.648 -6.408 264 HB3 GLU 50 HB1 GLU 50 -12.556 -0.589 -5.976 265 HG2 GLU 50 HG2 GLU 50 -11.658 -2.300 -4.501 266 HG3 GLU 50 HG1 GLU 50 -13.013 -3.359 -4.890 267 H LYS 51 HN LYS 51 -16.542 -0.648 -4.659 268 HA LYS 51 HA LYS 51 -17.032 -3.169 -3.229 269 HB2 LYS 51 HB2 LYS 51 -18.432 -0.521 -2.794 270 HB3 LYS 51 HB1 LYS 51 -18.902 -2.043 -2.049 271 HG2 LYS 51 HG2 LYS 51 -16.902 -2.143 -0.781 272 HG3 LYS 51 HG1 LYS 51 -16.184 -0.811 -1.684 273 HD2 LYS 51 HD2 LYS 51 -18.605 -0.610 0.102 274 HD3 LYS 51 HD1 LYS 51 -16.967 -0.120 0.542 275 HE2 LYS 51 HE2 LYS 51 -17.023 1.430 -1.443 276 HE3 LYS 51 HE1 LYS 51 -18.743 1.065 -1.585 277 HZ1 LYS 51 HZ1 LYS 51 -18.427 3.080 -0.339 278 HZ2 LYS 51 HZ2 LYS 51 -17.378 2.306 0.741 279 HZ3 LYS 51 HZ3 LYS 51 -19.024 1.882 0.705 280 HA PRO 52 HA PRO 52 -19.702 -4.388 -6.482 281 HB2 PRO 52 HB2 PRO 52 -21.898 -5.227 -4.968 282 HB3 PRO 52 HB1 PRO 52 -20.504 -6.213 -5.417 283 HG2 PRO 52 HG2 PRO 52 -21.064 -4.770 -2.867 284 HG3 PRO 52 HG1 PRO 52 -20.267 -6.334 -3.129 285 HD2 PRO 52 HD2 PRO 52 -18.859 -4.142 -2.535 286 HD3 PRO 52 HD1 PRO 52 -18.242 -5.347 -3.687 287 H GLY 53 HN GLY 53 -20.608 -2.936 -7.744 288 HA2 GLY 53 HA2 GLY 53 -22.376 -1.677 -8.577 289 HA3 GLY 53 HA1 GLY 53 -23.157 -1.770 -7.006 290 H GLN 54 HN GLN 54 -20.287 -0.834 -6.072 291 HA GLN 54 HA GLN 54 -21.054 2.001 -6.180 292 HB2 GLN 54 HB2 GLN 54 -19.475 0.450 -4.127 293 HB3 GLN 54 HB1 GLN 54 -19.742 2.187 -4.067 294 HG2 GLN 54 HG2 GLN 54 -22.093 1.893 -3.811 295 HG3 GLN 54 HG1 GLN 54 -21.953 0.159 -4.111 296 HE21 GLN 54 HE21 GLN 54 -21.259 -1.180 -2.502 297 HE22 GLN 54 HE22 GLN 54 -21.083 -0.676 -0.853 298 HA PRO 55 HA PRO 55 -17.265 2.957 -8.306 299 HB2 PRO 55 HB2 PRO 55 -17.101 5.575 -7.653 300 HB3 PRO 55 HB1 PRO 55 -18.238 4.962 -8.857 301 HG2 PRO 55 HG2 PRO 55 -18.718 5.659 -5.985 302 HG3 PRO 55 HG1 PRO 55 -19.717 6.019 -7.405 303 HD2 PRO 55 HD2 PRO 55 -20.274 3.982 -5.720 304 HD3 PRO 55 HD1 PRO 55 -20.629 3.903 -7.458 305 H LYS 56 HN LYS 56 -15.088 3.529 -7.844 306 HA LYS 56 HA LYS 56 -14.351 2.769 -5.160 307 HB2 LYS 56 HB2 LYS 56 -12.070 2.611 -6.025 308 HB3 LYS 56 HB1 LYS 56 -13.192 1.721 -7.035 309 HG2 LYS 56 HG2 LYS 56 -12.180 4.474 -7.692 310 HG3 LYS 56 HG1 LYS 56 -11.428 2.988 -8.268 311 HD2 LYS 56 HD2 LYS 56 -13.733 2.420 -9.224 312 HD3 LYS 56 HD1 LYS 56 -14.138 4.111 -8.924 313 HE2 LYS 56 HE2 LYS 56 -13.419 4.064 -11.152 314 HE3 LYS 56 HE1 LYS 56 -12.029 4.670 -10.252 315 HZ1 LYS 56 HZ1 LYS 56 -12.434 1.917 -11.282 316 HZ2 LYS 56 HZ2 LYS 56 -11.165 2.352 -10.250 317 HZ3 LYS 56 HZ3 LYS 56 -11.273 3.038 -11.798 318 H ARG 57 HN ARG 57 -13.386 3.995 -3.676 319 HA ARG 57 HA ARG 57 -12.927 6.831 -4.300 320 HB2 ARG 57 HB2 ARG 57 -15.089 6.697 -3.230 321 HB3 ARG 57 HB1 ARG 57 -14.438 5.685 -1.948 322 HG2 ARG 57 HG2 ARG 57 -13.096 7.518 -1.132 323 HG3 ARG 57 HG1 ARG 57 -13.636 8.541 -2.464 324 HD2 ARG 57 HD2 ARG 57 -15.909 8.421 -1.664 325 HD3 ARG 57 HD1 ARG 57 -15.426 7.329 -0.369 326 HE ARG 57 HE ARG 57 -14.180 9.968 -0.462 327 HH11 ARG 57 HH11 ARG 57 -16.449 7.766 1.017 328 HH12 ARG 57 HH12 ARG 57 -16.692 8.751 2.433 329 HH21 ARG 57 HH21 ARG 57 -14.465 11.268 1.392 330 HH22 ARG 57 HH22 ARG 57 -15.581 10.768 2.631 331 H LEU 58 HN LEU 58 -11.297 7.836 -3.132 332 HA LEU 58 HA LEU 58 -9.118 6.207 -2.417 333 HB2 LEU 58 HB2 LEU 58 -9.735 9.113 -2.216 334 HB3 LEU 58 HB1 LEU 58 -8.364 8.492 -1.322 335 HG LEU 58 HG LEU 58 -8.750 8.265 -4.306 336 HD11 LEU 58 HD11 LEU 58 -6.887 9.997 -2.689 337 HD12 LEU 58 HD12 LEU 58 -8.294 10.551 -3.599 338 HD13 LEU 58 HD13 LEU 58 -6.911 9.861 -4.448 339 HD21 LEU 58 HD21 LEU 58 -7.492 6.396 -3.648 340 HD22 LEU 58 HD22 LEU 58 -6.608 7.312 -2.428 341 HD23 LEU 58 HD23 LEU 58 -6.292 7.591 -4.145 342 H VAL 59 HN VAL 59 -8.478 5.323 -0.590 343 HA VAL 59 HA VAL 59 -9.971 6.003 1.864 344 HB VAL 59 HB VAL 59 -9.607 3.731 2.668 345 HG11 VAL 59 HG11 VAL 59 -10.828 3.684 -0.079 346 HG12 VAL 59 HG12 VAL 59 -11.614 4.322 1.357 347 HG13 VAL 59 HG13 VAL 59 -11.196 2.612 1.274 348 HG21 VAL 59 HG21 VAL 59 -8.730 1.985 1.196 349 HG22 VAL 59 HG22 VAL 59 -7.521 3.231 1.513 350 HG23 VAL 59 HG23 VAL 59 -8.374 3.200 -0.033 351 H ALA 60 HN ALA 60 -6.910 5.675 0.354 352 HA ALA 60 HA ALA 60 -5.645 7.020 2.512 353 HB1 ALA 60 HB1 ALA 60 -4.803 4.171 2.003 354 HB2 ALA 60 HB2 ALA 60 -5.593 4.792 3.447 355 HB3 ALA 60 HB3 ALA 60 -3.968 5.326 3.045 356 H ILE 61 HN ILE 61 -3.985 8.157 1.788 357 HA ILE 61 HA ILE 61 -2.762 7.341 -0.768 358 HB ILE 61 HB ILE 61 -2.633 10.076 0.541 359 HG12 ILE 61 HG12 ILE 61 -3.888 10.665 -1.680 360 HG13 ILE 61 HG11 ILE 61 -4.341 8.967 -1.673 361 HG21 ILE 61 HG21 ILE 61 -1.730 9.295 -2.223 362 HG22 ILE 61 HG22 ILE 61 -0.656 9.297 -0.826 363 HG23 ILE 61 HG23 ILE 61 -1.413 10.801 -1.359 364 HD11 ILE 61 HD11 ILE 61 -5.059 11.101 0.303 365 HD12 ILE 61 HD12 ILE 61 -5.239 9.386 0.667 366 HD13 ILE 61 HD13 ILE 61 -6.129 10.098 -0.680 367 H CYS 62 HN CYS 62 -0.895 6.289 -0.463 368 HA CYS 62 HA CYS 62 0.563 6.855 2.024 369 HB2 CYS 62 HB2 CYS 62 -1.045 4.815 2.085 370 HB3 CYS 62 HB1 CYS 62 0.162 4.027 1.071 371 H LYS 63 HN LYS 63 2.719 5.831 2.048 372 HA LYS 63 HA LYS 63 3.889 4.684 -0.221 373 HB2 LYS 63 HB2 LYS 63 5.519 6.570 -0.702 374 HB3 LYS 63 HB1 LYS 63 3.884 6.771 -1.313 375 HG2 LYS 63 HG2 LYS 63 3.388 8.184 0.669 376 HG3 LYS 63 HG1 LYS 63 5.099 8.083 1.097 377 HD2 LYS 63 HD2 LYS 63 5.719 9.093 -1.004 378 HD3 LYS 63 HD1 LYS 63 4.034 9.109 -1.530 379 HE2 LYS 63 HE2 LYS 63 4.552 11.303 -0.802 380 HE3 LYS 63 HE1 LYS 63 3.533 10.574 0.437 381 HZ1 LYS 63 HZ1 LYS 63 5.429 11.787 1.375 382 HZ2 LYS 63 HZ2 LYS 63 6.495 10.739 0.573 383 HZ3 LYS 63 HZ3 LYS 63 5.461 10.141 1.779 384 H ASN 64 HN ASN 64 6.287 4.520 0.066 385 HA ASN 64 HA ASN 64 6.698 3.606 2.743 386 HB2 ASN 64 HB2 ASN 64 7.573 2.333 0.855 387 HB3 ASN 64 HB1 ASN 64 8.567 3.702 0.366 388 HD21 ASN 64 HD21 ASN 64 10.445 4.130 1.419 389 HD22 ASN 64 HD22 ASN 64 11.151 3.035 2.571 390 H ALA 65 HN ALA 65 7.852 4.418 4.299 391 HA ALA 65 HA ALA 65 7.950 7.083 4.766 392 HB1 ALA 65 HB1 ALA 65 9.919 5.176 5.985 393 HB2 ALA 65 HB2 ALA 65 8.208 5.180 6.393 394 HB3 ALA 65 HB3 ALA 65 9.189 6.607 6.716 395 H SER 66 HN SER 66 10.620 5.133 3.526 396 HA SER 66 HA SER 66 12.206 7.574 3.202 397 HB2 SER 66 HB2 SER 66 13.345 5.759 4.373 398 HB3 SER 66 HB1 SER 66 13.010 4.658 3.041 399 HG SER 66 HG SER 66 14.976 6.559 3.304 400 HA PRO 67 HA PRO 67 11.445 7.354 -1.199 401 HB2 PRO 67 HB2 PRO 67 13.241 9.206 -1.975 402 HB3 PRO 67 HB1 PRO 67 11.736 9.646 -1.162 403 HG2 PRO 67 HG2 PRO 67 14.495 9.390 -0.030 404 HG3 PRO 67 HG1 PRO 67 13.279 10.648 0.263 405 HD2 PRO 67 HD2 PRO 67 13.731 8.573 1.976 406 HD3 PRO 67 HD1 PRO 67 12.153 9.370 1.807 407 H VAL 68 HN VAL 68 14.033 6.181 0.483 408 HA VAL 68 HA VAL 68 15.364 5.231 -1.971 409 HB VAL 68 HB VAL 68 16.727 5.326 0.703 410 HG11 VAL 68 HG11 VAL 68 17.927 5.466 -2.046 411 HG12 VAL 68 HG12 VAL 68 17.535 3.937 -1.265 412 HG13 VAL 68 HG13 VAL 68 18.710 5.029 -0.523 413 HG21 VAL 68 HG21 VAL 68 17.794 7.433 0.010 414 HG22 VAL 68 HG22 VAL 68 16.055 7.614 0.238 415 HG23 VAL 68 HG23 VAL 68 16.723 7.501 -1.391 416 H HIS 69 HN HIS 69 15.514 4.195 1.432 417 HA HIS 69 HA HIS 69 15.326 1.430 0.506 418 HB2 HIS 69 HB2 HIS 69 15.771 2.376 3.344 419 HB3 HIS 69 HB1 HIS 69 16.107 0.783 2.683 420 HD1 HIS 69 HD1 HIS 69 18.301 0.483 1.344 421 HD2 HIS 69 HD2 HIS 69 17.714 4.331 2.814 422 HE1 HIS 69 HE1 HIS 69 20.509 1.661 1.083 423 HE2 HIS 69 HE2 HIS 69 20.055 4.046 1.757 424 H CYS 70 HN CYS 70 13.922 -0.096 1.793 425 HA CYS 70 HA CYS 70 11.330 1.206 2.186 426 HB2 CYS 70 HB2 CYS 70 11.536 -0.716 0.597 427 HB3 CYS 70 HB1 CYS 70 11.951 -1.747 1.962 428 HG CYS 70 HG CYS 70 9.132 -0.140 2.568 429 H ASN 71 HN ASN 71 10.377 1.366 4.090 430 HA ASN 71 HA ASN 71 11.512 -0.102 6.386 431 HB2 ASN 71 HB2 ASN 71 10.523 2.763 6.401 432 HB3 ASN 71 HB1 ASN 71 11.098 1.870 7.801 433 HD21 ASN 71 HD21 ASN 71 12.019 4.369 6.673 434 HD22 ASN 71 HD22 ASN 71 13.702 4.150 6.299 435 H TYR 72 HN TYR 72 8.899 2.233 6.181 436 HA TYR 72 HA TYR 72 6.883 0.156 6.606 437 HB2 TYR 72 HB2 TYR 72 7.053 2.661 8.305 438 HB3 TYR 72 HB1 TYR 72 5.877 1.363 8.456 439 HD1 TYR 72 HD2 TYR 72 6.768 -0.960 9.126 440 HD2 TYR 72 HD1 TYR 72 9.034 2.615 9.548 441 HE1 TYR 72 HE2 TYR 72 8.221 -2.083 10.764 442 HE2 TYR 72 HE1 TYR 72 10.494 1.504 11.185 443 HH TYR 72 HH TYR 72 10.337 -0.421 12.789 444 H LEU 73 HN LEU 73 4.629 1.357 6.592 445 HA LEU 73 HA LEU 73 4.720 3.174 4.281 446 HB2 LEU 73 HB2 LEU 73 2.565 1.338 5.309 447 HB3 LEU 73 HB1 LEU 73 2.246 2.581 4.115 448 HG LEU 73 HG LEU 73 4.014 0.158 3.806 449 HD11 LEU 73 HD11 LEU 73 2.461 -0.346 1.972 450 HD12 LEU 73 HD12 LEU 73 1.522 1.098 2.376 451 HD13 LEU 73 HD13 LEU 73 1.631 -0.240 3.526 452 HD21 LEU 73 HD21 LEU 73 4.523 0.964 1.568 453 HD22 LEU 73 HD22 LEU 73 5.097 2.107 2.785 454 HD23 LEU 73 HD23 LEU 73 3.622 2.448 1.881 455 H LYS 74 HN LYS 74 4.374 5.239 4.639 456 HA LYS 74 HA LYS 74 2.768 6.037 6.972 457 HB2 LYS 74 HB2 LYS 74 5.042 7.320 5.523 458 HB3 LYS 74 HB1 LYS 74 3.833 8.365 6.253 459 HG2 LYS 74 HG2 LYS 74 5.696 8.048 7.756 460 HG3 LYS 74 HG1 LYS 74 4.238 7.323 8.426 461 HD2 LYS 74 HD2 LYS 74 5.017 5.114 7.618 462 HD3 LYS 74 HD1 LYS 74 6.507 5.876 7.058 463 HE2 LYS 74 HE2 LYS 74 6.890 4.851 9.206 464 HE3 LYS 74 HE1 LYS 74 6.965 6.603 9.374 465 HZ1 LYS 74 HZ1 LYS 74 4.637 6.532 10.177 466 HZ2 LYS 74 HZ2 LYS 74 5.722 5.701 11.182 467 HZ3 LYS 74 HZ3 LYS 74 4.702 4.836 10.140 468 H CYS 75 HN CYS 75 0.729 6.440 6.487 469 HA CYS 75 HA CYS 75 0.112 7.344 3.751 470 HB2 CYS 75 HB2 CYS 75 -1.924 6.040 5.506 471 HB3 CYS 75 HB1 CYS 75 -1.777 6.017 3.753 472 H THR 76 HN THR 76 -1.432 8.926 3.432 473 HA THR 76 HA THR 76 -2.363 10.339 5.844 474 HB THR 76 HB THR 76 -0.934 11.703 4.290 475 HG1 THR 76 HG1 THR 76 -2.560 12.692 5.623 476 HG21 THR 76 HG21 THR 76 -3.264 11.341 2.407 477 HG22 THR 76 HG22 THR 76 -1.630 10.712 2.172 478 HG23 THR 76 HG23 THR 76 -1.915 12.454 2.168 479 H ASN 77 HN ASN 77 -4.565 11.062 5.825 480 HA ASN 77 HA ASN 77 -6.784 10.619 5.698 481 HB2 ASN 77 HB2 ASN 77 -6.549 11.572 3.433 482 HB3 ASN 77 HB1 ASN 77 -6.186 9.972 2.803 483 HD21 ASN 77 HD21 ASN 77 -7.833 8.487 2.549 484 HD22 ASN 77 HD22 ASN 77 -9.504 8.917 2.679 485 H LEU 78 HN LEU 78 -6.766 8.874 7.089 486 HA LEU 78 HA LEU 78 -6.742 6.216 5.836 487 HB2 LEU 78 HB2 LEU 78 -6.493 7.083 8.715 488 HB3 LEU 78 HB1 LEU 78 -6.786 5.417 8.261 489 HG LEU 78 HG LEU 78 -4.467 5.628 8.708 490 HD11 LEU 78 HD11 LEU 78 -3.447 5.086 6.536 491 HD12 LEU 78 HD12 LEU 78 -4.925 5.615 5.733 492 HD13 LEU 78 HD13 LEU 78 -4.960 4.227 6.819 493 HD21 LEU 78 HD21 LEU 78 -4.240 8.036 8.556 494 HD22 LEU 78 HD22 LEU 78 -4.429 7.963 6.805 495 HD23 LEU 78 HD23 LEU 78 -3.014 7.240 7.569 496 H ALA 79 HN ALA 79 -8.640 5.352 5.328 497 HA ALA 79 HA ALA 79 -11.046 6.669 6.256 498 HB1 ALA 79 HB1 ALA 79 -12.210 5.295 4.605 499 HB2 ALA 79 HB2 ALA 79 -10.718 4.418 4.272 500 HB3 ALA 79 HB3 ALA 79 -10.833 6.134 3.894 501 H ALA 80 HN ALA 80 -10.239 5.766 8.447 502 HA ALA 80 HA ALA 80 -10.776 4.591 10.299 503 HB1 ALA 80 HB1 ALA 80 -12.997 3.628 10.452 504 HB2 ALA 80 HB2 ALA 80 -13.173 3.719 8.701 505 HB3 ALA 80 HB3 ALA 80 -13.052 5.197 9.652 506 H GLY 81 HN GLY 81 -12.349 2.156 8.323 507 HA2 GLY 81 HA2 GLY 81 -10.593 0.154 9.487 508 HA3 GLY 81 HA1 GLY 81 -12.041 -0.149 8.536 509 H PHE 82 HN PHE 82 -10.251 2.102 6.935 510 HA PHE 82 HA PHE 82 -8.829 0.071 5.352 511 HB2 PHE 82 HB2 PHE 82 -9.899 2.767 4.507 512 HB3 PHE 82 HB1 PHE 82 -8.957 1.696 3.488 513 HD1 PHE 82 HD2 PHE 82 -9.921 -0.369 2.616 514 HD2 PHE 82 HD1 PHE 82 -12.206 2.344 4.967 515 HE1 PHE 82 HE2 PHE 82 -11.992 -1.462 1.853 516 HE2 PHE 82 HE1 PHE 82 -14.282 1.261 4.205 517 HZ PHE 82 HZ PHE 82 -14.177 -0.642 2.649 518 H SER 83 HN SER 83 -6.781 0.068 5.969 519 HA SER 83 HA SER 83 -5.255 2.542 5.773 520 HB2 SER 83 HB2 SER 83 -5.077 0.739 8.202 521 HB3 SER 83 HB1 SER 83 -4.108 2.177 7.898 522 HG SER 83 HG SER 83 -6.733 2.761 7.699 523 H ALA 84 HN ALA 84 -2.839 1.966 5.873 524 HA ALA 84 HA ALA 84 -2.527 -0.490 4.300 525 HB1 ALA 84 HB1 ALA 84 -0.534 0.485 3.379 526 HB2 ALA 84 HB2 ALA 84 -0.600 1.813 4.534 527 HB3 ALA 84 HB3 ALA 84 -1.833 1.677 3.282 528 H GLY 85 HN GLY 85 -0.589 -1.777 4.650 529 HA2 GLY 85 HA2 GLY 85 -0.125 -1.953 7.562 530 HA3 GLY 85 HA1 GLY 85 -0.233 -3.338 6.487 531 H THR 86 HN THR 86 1.475 -3.127 4.599 532 HA THR 86 HA THR 86 3.983 -1.977 5.130 533 HB THR 86 HB THR 86 3.935 -3.542 7.071 534 HG1 THR 86 HG1 THR 86 6.017 -4.081 6.794 535 HG21 THR 86 HG21 THR 86 2.580 -5.324 6.082 536 HG22 THR 86 HG22 THR 86 4.108 -5.956 6.698 537 HG23 THR 86 HG23 THR 86 3.889 -5.708 4.965 538 H SER 87 HN SER 87 5.702 -3.781 3.972 539 HA SER 87 HA SER 87 4.367 -4.613 1.481 540 HB2 SER 87 HB2 SER 87 7.056 -3.226 1.666 541 HB3 SER 87 HB1 SER 87 6.289 -3.804 0.187 542 HG SER 87 HG SER 87 5.104 -1.902 1.919 543 H THR 88 HN THR 88 5.210 -6.501 0.516 544 HA THR 88 HA THR 88 7.278 -7.938 2.019 545 HB THR 88 HB THR 88 5.880 -9.985 2.047 546 HG1 THR 88 HG1 THR 88 4.007 -9.956 1.091 547 HG21 THR 88 HG21 THR 88 4.848 -7.597 3.572 548 HG22 THR 88 HG22 THR 88 6.073 -8.753 4.094 549 HG23 THR 88 HG23 THR 88 4.394 -9.264 3.923 550 H ASP 89 HN ASP 89 6.592 -10.436 0.704 551 HA ASP 89 HA ASP 89 7.025 -11.658 -1.134 552 HB2 ASP 89 HB2 ASP 89 5.105 -10.588 -2.103 553 HB3 ASP 89 HB1 ASP 89 6.042 -9.161 -2.519 554 H VAL 90 HN VAL 90 8.014 -8.514 -2.483 555 HA VAL 90 HA VAL 90 10.311 -9.683 -3.653 556 HB VAL 90 HB VAL 90 10.922 -7.172 -4.038 557 HG11 VAL 90 HG11 VAL 90 9.478 -7.123 -5.975 558 HG12 VAL 90 HG12 VAL 90 8.427 -8.342 -5.260 559 HG13 VAL 90 HG13 VAL 90 10.073 -8.765 -5.733 560 HG21 VAL 90 HG21 VAL 90 8.143 -7.045 -2.920 561 HG22 VAL 90 HG22 VAL 90 8.696 -5.863 -4.101 562 HG23 VAL 90 HG23 VAL 90 9.534 -6.022 -2.554 563 H LEU 91 HN LEU 91 9.866 -7.519 -0.883 564 HA LEU 91 HA LEU 91 12.719 -7.575 -0.327 565 HB2 LEU 91 HB2 LEU 91 12.235 -5.965 1.419 566 HB3 LEU 91 HB1 LEU 91 11.511 -5.468 -0.096 567 HG LEU 91 HG LEU 91 9.397 -6.717 0.984 568 HD11 LEU 91 HD11 LEU 91 10.919 -5.633 3.351 569 HD12 LEU 91 HD12 LEU 91 10.560 -7.331 3.041 570 HD13 LEU 91 HD13 LEU 91 9.248 -6.197 3.364 571 HD21 LEU 91 HD21 LEU 91 8.623 -4.507 1.693 572 HD22 LEU 91 HD22 LEU 91 9.431 -4.454 0.127 573 HD23 LEU 91 HD23 LEU 91 10.273 -3.898 1.573 574 H SER 92 HN SER 92 9.851 -9.174 0.695 575 HA SER 92 HA SER 92 10.967 -9.959 3.255 576 HB2 SER 92 HB2 SER 92 8.553 -9.354 2.979 577 HB3 SER 92 HB1 SER 92 8.351 -10.792 1.982 578 HG SER 92 HG SER 92 9.534 -11.178 4.469 579 H SER 93 HN SER 93 9.403 -11.869 0.677 580 HA SER 93 HA SER 93 11.460 -13.686 0.206 581 HB2 SER 93 HB2 SER 93 10.516 -15.653 1.513 582 HB3 SER 93 HB1 SER 93 11.312 -14.421 2.494 583 HG SER 93 HG SER 93 9.340 -14.989 3.438 584 H GLY 94 HN GLY 94 8.079 -14.224 1.054 585 HA2 GLY 94 HA2 GLY 94 7.285 -14.215 -1.747 586 HA3 GLY 94 HA1 GLY 94 7.075 -15.735 -0.879 587 H THR 95 HN THR 95 6.209 -15.155 1.497 588 HA THR 95 HA THR 95 4.374 -14.681 2.725 589 HB THR 95 HB THR 95 3.604 -12.287 2.688 590 HG1 THR 95 HG1 THR 95 4.775 -12.283 0.320 591 HG21 THR 95 HG21 THR 95 6.569 -12.753 2.909 592 HG22 THR 95 HG22 THR 95 5.383 -13.064 4.174 593 HG23 THR 95 HG23 THR 95 5.681 -11.413 3.627 594 H VAL 96 HN VAL 96 2.183 -12.964 2.241 595 HA VAL 96 HA VAL 96 0.779 -14.362 0.099 596 HB VAL 96 HB VAL 96 -1.250 -13.211 0.939 597 HG11 VAL 96 HG11 VAL 96 -1.419 -14.428 3.070 598 HG12 VAL 96 HG12 VAL 96 0.327 -14.684 3.048 599 HG13 VAL 96 HG13 VAL 96 -0.688 -15.410 1.800 600 HG21 VAL 96 HG21 VAL 96 -1.144 -12.007 3.098 601 HG22 VAL 96 HG22 VAL 96 -0.263 -11.179 1.817 602 HG23 VAL 96 HG23 VAL 96 0.614 -12.098 3.038 603 H GLY 97 HN GLY 97 -0.233 -13.208 -1.617 604 HA2 GLY 97 HA2 GLY 97 0.717 -10.443 -1.968 605 HA3 GLY 97 HA1 GLY 97 1.102 -11.642 -3.195 606 H SER 98 HN SER 98 -0.018 -10.384 -4.725 607 HA SER 98 HA SER 98 -2.839 -11.015 -4.834 608 HB2 SER 98 HB2 SER 98 -1.903 -8.143 -5.123 609 HB3 SER 98 HB1 SER 98 -3.565 -8.731 -5.226 610 HG SER 98 HG SER 98 -2.690 -9.595 -2.941 Start of MODEL 16 1 H1 SER 19 HT1 SER 19 19.382 -0.564 -2.032 2 H2 SER 19 HT2 SER 19 20.914 -0.364 -2.722 3 H3 SER 19 HT3 SER 19 19.627 -0.903 -3.676 4 HA SER 19 HA SER 19 19.905 1.760 -2.423 5 HB2 SER 19 HB2 SER 19 19.841 0.973 -5.347 6 HB3 SER 19 HB1 SER 19 20.177 2.574 -4.683 7 HG SER 19 HG SER 19 22.186 1.937 -4.766 8 H PHE 20 HN PHE 20 18.262 2.902 -4.516 9 HA PHE 20 HA PHE 20 15.732 2.832 -3.496 10 HB2 PHE 20 HB2 PHE 20 16.669 3.345 -6.316 11 HB3 PHE 20 HB1 PHE 20 14.977 3.487 -5.862 12 HD1 PHE 20 HD1 PHE 20 18.175 4.547 -4.275 13 HD2 PHE 20 HD2 PHE 20 14.339 5.676 -5.702 14 HE1 PHE 20 HE1 PHE 20 18.592 6.862 -3.537 15 HE2 PHE 20 HE2 PHE 20 14.737 7.990 -4.963 16 HZ PHE 20 HZ PHE 20 16.869 8.585 -3.879 17 H VAL 21 HN VAL 21 14.037 1.536 -3.553 18 HA VAL 21 HA VAL 21 14.115 -0.828 -5.275 19 HB VAL 21 HB VAL 21 15.134 -1.622 -3.291 20 HG11 VAL 21 HG11 VAL 21 12.871 -0.437 -1.704 21 HG12 VAL 21 HG12 VAL 21 14.450 0.315 -1.919 22 HG13 VAL 21 HG13 VAL 21 14.319 -1.231 -1.076 23 HG21 VAL 21 HG21 VAL 21 13.387 -3.107 -4.187 24 HG22 VAL 21 HG22 VAL 21 12.219 -2.368 -3.091 25 HG23 VAL 21 HG23 VAL 21 13.580 -3.280 -2.442 26 H GLN 22 HN GLN 22 12.150 -1.659 -5.849 27 HA GLN 22 HA GLN 22 9.801 -0.071 -5.129 28 HB2 GLN 22 HB2 GLN 22 8.786 -1.379 -7.101 29 HB3 GLN 22 HB1 GLN 22 9.989 -0.148 -7.460 30 HG2 GLN 22 HG2 GLN 22 10.785 -1.797 -8.775 31 HG3 GLN 22 HG1 GLN 22 11.625 -2.224 -7.287 32 HE21 GLN 22 HE21 GLN 22 8.211 -2.709 -7.940 33 HE22 GLN 22 HE22 GLN 22 8.276 -4.442 -7.941 34 H CYS 23 HN CYS 23 7.919 -1.027 -4.307 35 HA CYS 23 HA CYS 23 8.048 -3.831 -3.525 36 HB2 CYS 23 HB2 CYS 23 7.629 -3.147 -1.108 37 HB3 CYS 23 HB1 CYS 23 9.265 -2.917 -1.718 38 HG CYS 23 HG CYS 23 9.246 -0.240 -1.807 39 H ASN 24 HN ASN 24 6.067 -4.726 -2.961 40 HA ASN 24 HA ASN 24 3.744 -3.280 -3.852 41 HB2 ASN 24 HB2 ASN 24 2.586 -5.450 -2.949 42 HB3 ASN 24 HB1 ASN 24 3.532 -5.520 -4.428 43 HD21 ASN 24 HD21 ASN 24 5.499 -6.583 -4.417 44 HD22 ASN 24 HD22 ASN 24 5.987 -7.635 -3.134 45 H HIS 25 HN HIS 25 2.671 -1.929 -2.651 46 HA HIS 25 HA HIS 25 3.046 -1.880 0.218 47 HB2 HIS 25 HB2 HIS 25 1.441 -0.130 -1.654 48 HB3 HIS 25 HB1 HIS 25 1.540 0.130 0.081 49 HD1 HIS 25 HD1 HIS 25 4.596 -0.831 -1.885 50 HD2 HIS 25 HD2 HIS 25 2.882 2.556 -0.195 51 HE1 HIS 25 HE1 HIS 25 6.378 0.934 -1.955 52 HE2 HIS 25 HE2 HIS 25 5.257 3.016 -1.102 53 H HIS 26 HN HIS 26 1.738 -2.813 1.641 54 HA HIS 26 HA HIS 26 -0.627 -4.169 0.599 55 HB2 HIS 26 HB2 HIS 26 1.029 -4.546 3.083 56 HB3 HIS 26 HB1 HIS 26 -0.557 -5.289 2.919 57 HD1 HIS 26 HD1 HIS 26 0.039 -7.704 2.629 58 HD2 HIS 26 HD2 HIS 26 2.229 -5.208 0.121 59 HE1 HIS 26 HE1 HIS 26 1.228 -9.227 1.016 60 HE2 HIS 26 HE2 HIS 26 2.703 -7.703 -0.339 61 H LEU 27 HN LEU 27 -2.595 -3.485 0.935 62 HA LEU 27 HA LEU 27 -3.102 -1.461 2.994 63 HB2 LEU 27 HB2 LEU 27 -3.862 -1.295 0.513 64 HB3 LEU 27 HB1 LEU 27 -5.076 -2.487 0.954 65 HG LEU 27 HG LEU 27 -5.961 -0.183 0.942 66 HD11 LEU 27 HD11 LEU 27 -7.080 -0.235 3.077 67 HD12 LEU 27 HD12 LEU 27 -5.865 -1.349 3.712 68 HD13 LEU 27 HD13 LEU 27 -6.958 -1.871 2.423 69 HD21 LEU 27 HD21 LEU 27 -3.936 0.992 1.595 70 HD22 LEU 27 HD22 LEU 27 -4.032 0.281 3.206 71 HD23 LEU 27 HD23 LEU 27 -5.280 1.401 2.660 72 H LEU 28 HN LEU 28 -4.160 -1.952 4.789 73 HA LEU 28 HA LEU 28 -4.983 -4.745 5.143 74 HB2 LEU 28 HB2 LEU 28 -3.364 -2.953 6.672 75 HB3 LEU 28 HB1 LEU 28 -4.775 -3.386 7.622 76 HG LEU 28 HG LEU 28 -2.899 -4.867 8.087 77 HD11 LEU 28 HD11 LEU 28 -4.022 -7.029 7.660 78 HD12 LEU 28 HD12 LEU 28 -5.182 -6.184 6.632 79 HD13 LEU 28 HD13 LEU 28 -5.087 -5.808 8.352 80 HD21 LEU 28 HD21 LEU 28 -1.648 -4.836 6.090 81 HD22 LEU 28 HD22 LEU 28 -3.024 -5.379 5.134 82 HD23 LEU 28 HD23 LEU 28 -2.238 -6.492 6.255 83 H TYR 29 HN TYR 29 -7.016 -5.196 5.515 84 HA TYR 29 HA TYR 29 -8.860 -3.016 6.224 85 HB2 TYR 29 HB2 TYR 29 -9.369 -4.337 4.151 86 HB3 TYR 29 HB1 TYR 29 -9.494 -5.781 5.148 87 HD1 TYR 29 HD1 TYR 29 -10.969 -2.388 4.726 88 HD2 TYR 29 HD2 TYR 29 -11.554 -6.381 6.072 89 HE1 TYR 29 HE1 TYR 29 -13.353 -1.910 5.085 90 HE2 TYR 29 HE2 TYR 29 -13.942 -5.911 6.440 91 HH TYR 29 HH TYR 29 -15.416 -3.993 6.824 92 H ASN 30 HN ASN 30 -10.240 -3.323 8.036 93 HA ASN 30 HA ASN 30 -9.145 -4.714 10.208 94 HB2 ASN 30 HB2 ASN 30 -10.691 -2.816 10.479 95 HB3 ASN 30 HB1 ASN 30 -12.003 -3.780 9.809 96 HD21 ASN 30 HD21 ASN 30 -9.864 -3.348 12.548 97 HD22 ASN 30 HD22 ASN 30 -10.798 -4.292 13.662 98 H GLY 31 HN GLY 31 -8.789 -6.817 10.027 99 HA2 GLY 31 HA2 GLY 31 -10.180 -8.944 10.447 100 HA3 GLY 31 HA1 GLY 31 -10.882 -8.540 8.884 101 H ARG 32 HN ARG 32 -8.743 -7.746 7.402 102 HA ARG 32 HA ARG 32 -6.443 -9.360 7.605 103 HB2 ARG 32 HB2 ARG 32 -8.314 -11.072 7.043 104 HB3 ARG 32 HB1 ARG 32 -8.264 -10.373 5.431 105 HG2 ARG 32 HG2 ARG 32 -6.830 -12.153 5.216 106 HG3 ARG 32 HG1 ARG 32 -5.713 -10.842 5.594 107 HD2 ARG 32 HD2 ARG 32 -6.610 -13.126 7.296 108 HD3 ARG 32 HD1 ARG 32 -4.983 -12.532 6.989 109 HE ARG 32 HE ARG 32 -6.932 -11.147 8.725 110 HH11 ARG 32 HH11 ARG 32 -3.646 -12.051 7.905 111 HH12 ARG 32 HH12 ARG 32 -2.973 -11.462 9.397 112 HH21 ARG 32 HH21 ARG 32 -6.060 -10.377 10.700 113 HH22 ARG 32 HH22 ARG 32 -4.344 -10.504 10.983 114 H HIS 33 HN HIS 33 -5.290 -9.454 5.362 115 HA HIS 33 HA HIS 33 -4.905 -6.926 4.300 116 HB2 HIS 33 HB2 HIS 33 -3.285 -8.699 4.005 117 HB3 HIS 33 HB1 HIS 33 -4.433 -9.654 3.078 118 HD1 HIS 33 HD1 HIS 33 -4.534 -9.265 0.599 119 HD2 HIS 33 HD2 HIS 33 -2.259 -6.399 2.583 120 HE1 HIS 33 HE1 HIS 33 -3.360 -7.963 -1.201 121 HE2 HIS 33 HE2 HIS 33 -1.880 -6.330 0.015 122 H TRP 34 HN TRP 34 -5.731 -5.779 2.598 123 HA TRP 34 HA TRP 34 -8.219 -6.852 1.445 124 HB2 TRP 34 HB2 TRP 34 -8.342 -4.774 2.846 125 HB3 TRP 34 HB1 TRP 34 -7.375 -3.958 1.622 126 HD1 TRP 34 HD1 TRP 34 -10.841 -5.563 2.098 127 HE1 TRP 34 HE1 TRP 34 -12.452 -4.559 0.360 128 HE3 TRP 34 HE3 TRP 34 -7.502 -2.773 -0.581 129 HZ2 TRP 34 HZ2 TRP 34 -12.324 -2.815 -1.859 130 HZ3 TRP 34 HZ3 TRP 34 -8.326 -1.466 -2.497 131 HH2 TRP 34 HH2 TRP 34 -10.686 -1.486 -3.122 132 H GLY 35 HN GLY 35 -5.499 -4.707 0.506 133 HA2 GLY 35 HA2 GLY 35 -5.402 -5.967 -2.116 134 HA3 GLY 35 HA1 GLY 35 -5.941 -4.292 -2.115 135 H THR 36 HN THR 36 -3.688 -4.946 -3.521 136 HA THR 36 HA THR 36 -1.667 -3.515 -2.030 137 HB THR 36 HB THR 36 -1.641 -6.396 -2.517 138 HG1 THR 36 HG1 THR 36 -0.340 -4.542 -0.819 139 HG21 THR 36 HG21 THR 36 -0.099 -5.705 -4.269 140 HG22 THR 36 HG22 THR 36 0.734 -6.574 -2.975 141 HG23 THR 36 HG23 THR 36 0.861 -4.816 -3.086 142 H ILE 37 HN ILE 37 -0.432 -2.267 -3.282 143 HA ILE 37 HA ILE 37 -0.322 -2.779 -6.175 144 HB ILE 37 HB ILE 37 -0.443 -0.063 -4.832 145 HG12 ILE 37 HG12 ILE 37 -2.456 0.146 -6.476 146 HG13 ILE 37 HG11 ILE 37 -2.436 -1.613 -6.462 147 HG21 ILE 37 HG21 ILE 37 -0.125 -0.759 -7.745 148 HG22 ILE 37 HG22 ILE 37 1.089 -0.022 -6.701 149 HG23 ILE 37 HG23 ILE 37 -0.381 0.864 -7.104 150 HD11 ILE 37 HD11 ILE 37 -2.816 -1.627 -4.078 151 HD12 ILE 37 HD12 ILE 37 -4.047 -0.651 -4.880 152 HD13 ILE 37 HD13 ILE 37 -2.719 0.132 -4.028 153 H ARG 38 HN ARG 38 1.735 -2.764 -7.035 154 HA ARG 38 HA ARG 38 3.881 -2.496 -5.064 155 HB2 ARG 38 HB2 ARG 38 3.732 -4.600 -6.335 156 HB3 ARG 38 HB1 ARG 38 3.953 -3.707 -7.834 157 HG2 ARG 38 HG2 ARG 38 6.178 -3.280 -7.410 158 HG3 ARG 38 HG1 ARG 38 5.997 -3.502 -5.670 159 HD2 ARG 38 HD2 ARG 38 7.233 -5.341 -6.783 160 HD3 ARG 38 HD1 ARG 38 5.786 -5.876 -5.929 161 HE ARG 38 HE ARG 38 5.299 -5.343 -8.700 162 HH11 ARG 38 HH11 ARG 38 6.561 -7.752 -6.483 163 HH12 ARG 38 HH12 ARG 38 6.160 -9.093 -7.505 164 HH21 ARG 38 HH21 ARG 38 4.796 -7.095 -10.050 165 HH22 ARG 38 HH22 ARG 38 5.180 -8.716 -9.549 166 H LYS 39 HN LYS 39 4.929 -0.674 -4.930 167 HA LYS 39 HA LYS 39 5.512 0.911 -7.328 168 HB2 LYS 39 HB2 LYS 39 4.194 1.937 -4.806 169 HB3 LYS 39 HB1 LYS 39 4.937 2.987 -6.003 170 HG2 LYS 39 HG2 LYS 39 2.660 1.098 -6.558 171 HG3 LYS 39 HG1 LYS 39 2.488 2.823 -6.225 172 HD2 LYS 39 HD2 LYS 39 3.787 3.365 -8.198 173 HD3 LYS 39 HD1 LYS 39 4.084 1.652 -8.503 174 HE2 LYS 39 HE2 LYS 39 1.700 1.289 -8.840 175 HE3 LYS 39 HE1 LYS 39 1.380 2.986 -8.490 176 HZ1 LYS 39 HZ1 LYS 39 3.077 2.039 -10.736 177 HZ2 LYS 39 HZ2 LYS 39 2.567 3.629 -10.442 178 HZ3 LYS 39 HZ3 LYS 39 1.437 2.445 -10.884 179 H LYS 40 HN LYS 40 7.309 2.344 -7.071 180 HA LYS 40 HA LYS 40 9.398 1.285 -5.465 181 HB2 LYS 40 HB2 LYS 40 9.265 3.899 -6.982 182 HB3 LYS 40 HB1 LYS 40 10.729 3.190 -6.314 183 HG2 LYS 40 HG2 LYS 40 10.324 1.197 -7.773 184 HG3 LYS 40 HG1 LYS 40 9.022 2.107 -8.539 185 HD2 LYS 40 HD2 LYS 40 11.040 2.296 -9.861 186 HD3 LYS 40 HD1 LYS 40 10.648 3.862 -9.148 187 HE2 LYS 40 HE2 LYS 40 12.328 3.579 -7.455 188 HE3 LYS 40 HE1 LYS 40 12.625 1.919 -7.967 189 HZ1 LYS 40 HZ1 LYS 40 13.488 2.715 -10.053 190 HZ2 LYS 40 HZ2 LYS 40 14.316 3.475 -8.785 191 HZ3 LYS 40 HZ3 LYS 40 13.125 4.322 -9.646 192 H ALA 41 HN ALA 41 10.657 2.439 -3.880 193 HA ALA 41 HA ALA 41 9.045 3.494 -1.794 194 HB1 ALA 41 HB1 ALA 41 12.043 3.351 -2.073 195 HB2 ALA 41 HB2 ALA 41 10.994 2.159 -1.307 196 HB3 ALA 41 HB3 ALA 41 11.177 3.757 -0.590 197 H GLY 42 HN GLY 42 8.908 5.535 -0.961 198 HA2 GLY 42 HA2 GLY 42 9.169 7.839 -0.841 199 HA3 GLY 42 HA1 GLY 42 10.362 7.741 -2.126 200 H TRP 43 HN TRP 43 7.518 6.109 -2.881 201 HA TRP 43 HA TRP 43 6.585 8.391 -4.485 202 HB2 TRP 43 HB2 TRP 43 6.720 5.455 -5.147 203 HB3 TRP 43 HB1 TRP 43 5.665 6.558 -6.026 204 HD1 TRP 43 HD1 TRP 43 9.445 6.086 -5.279 205 HE1 TRP 43 HE1 TRP 43 10.777 7.078 -7.252 206 HE3 TRP 43 HE3 TRP 43 5.561 8.014 -7.987 207 HZ2 TRP 43 HZ2 TRP 43 10.243 8.475 -9.639 208 HZ3 TRP 43 HZ3 TRP 43 6.059 9.161 -10.106 209 HH2 TRP 43 HH2 TRP 43 8.351 9.386 -10.913 210 H ALA 44 HN ALA 44 4.288 8.445 -4.929 211 HA ALA 44 HA ALA 44 2.793 7.681 -2.560 212 HB1 ALA 44 HB1 ALA 44 2.689 9.986 -3.394 213 HB2 ALA 44 HB2 ALA 44 1.112 9.210 -3.375 214 HB3 ALA 44 HB3 ALA 44 1.975 9.400 -4.897 215 H VAL 45 HN VAL 45 1.623 5.914 -2.506 216 HA VAL 45 HA VAL 45 0.634 4.781 -5.033 217 HB VAL 45 HB VAL 45 2.047 3.279 -3.670 218 HG11 VAL 45 HG11 VAL 45 -0.147 3.511 -1.625 219 HG12 VAL 45 HG12 VAL 45 1.499 4.123 -1.463 220 HG13 VAL 45 HG13 VAL 45 1.211 2.386 -1.562 221 HG21 VAL 45 HG21 VAL 45 0.543 1.348 -3.668 222 HG22 VAL 45 HG22 VAL 45 0.363 2.317 -5.132 223 HG23 VAL 45 HG23 VAL 45 -0.839 2.431 -3.846 224 H ARG 46 HN ARG 46 -1.542 4.359 -5.291 225 HA ARG 46 HA ARG 46 -3.247 5.851 -3.457 226 HB2 ARG 46 HB2 ARG 46 -4.776 6.121 -5.202 227 HB3 ARG 46 HB1 ARG 46 -3.219 6.224 -6.002 228 HG2 ARG 46 HG2 ARG 46 -4.990 3.791 -5.942 229 HG3 ARG 46 HG1 ARG 46 -4.859 4.929 -7.280 230 HD2 ARG 46 HD2 ARG 46 -2.706 3.101 -6.216 231 HD3 ARG 46 HD1 ARG 46 -3.537 2.983 -7.765 232 HE ARG 46 HE ARG 46 -1.965 5.394 -7.208 233 HH11 ARG 46 HH11 ARG 46 -2.332 2.374 -8.964 234 HH12 ARG 46 HH12 ARG 46 -1.107 2.768 -10.135 235 HH21 ARG 46 HH21 ARG 46 -0.355 5.896 -8.731 236 HH22 ARG 46 HH22 ARG 46 0.002 4.776 -10.017 237 H PHE 47 HN PHE 47 -4.676 4.928 -2.164 238 HA PHE 47 HA PHE 47 -5.501 2.167 -2.737 239 HB2 PHE 47 HB2 PHE 47 -5.027 3.436 -0.029 240 HB3 PHE 47 HB1 PHE 47 -5.812 1.881 -0.271 241 HD1 PHE 47 HD2 PHE 47 -4.397 0.193 -1.760 242 HD2 PHE 47 HD1 PHE 47 -2.798 3.441 0.476 243 HE1 PHE 47 HE2 PHE 47 -2.208 -0.932 -1.695 244 HE2 PHE 47 HE1 PHE 47 -0.613 2.319 0.549 245 HZ PHE 47 HZ PHE 47 -0.314 0.131 -0.537 246 H TYR 48 HN TYR 48 -7.598 1.967 -3.037 247 HA TYR 48 HA TYR 48 -9.461 3.828 -1.788 248 HB2 TYR 48 HB2 TYR 48 -10.543 4.360 -3.951 249 HB3 TYR 48 HB1 TYR 48 -8.904 4.990 -3.851 250 HD1 TYR 48 HD1 TYR 48 -7.084 3.883 -5.140 251 HD2 TYR 48 HD2 TYR 48 -11.163 2.775 -5.599 252 HE1 TYR 48 HE1 TYR 48 -6.538 2.791 -7.274 253 HE2 TYR 48 HE2 TYR 48 -10.625 1.668 -7.731 254 HH TYR 48 HH TYR 48 -7.586 0.858 -8.670 255 H GLU 49 HN GLU 49 -11.583 3.067 -1.746 256 HA GLU 49 HA GLU 49 -11.693 0.167 -1.886 257 HB2 GLU 49 HB2 GLU 49 -13.759 0.351 -0.595 258 HB3 GLU 49 HB1 GLU 49 -12.485 1.291 0.169 259 HG2 GLU 49 HG2 GLU 49 -13.415 3.337 -0.712 260 HG3 GLU 49 HG1 GLU 49 -14.633 2.426 -1.604 261 H GLU 50 HN GLU 50 -12.575 -0.866 -3.516 262 HA GLU 50 HA GLU 50 -14.714 0.464 -4.993 263 HB2 GLU 50 HB2 GLU 50 -13.932 -0.619 -7.078 264 HB3 GLU 50 HB1 GLU 50 -12.819 0.579 -6.448 265 HG2 GLU 50 HG2 GLU 50 -11.330 -1.110 -5.668 266 HG3 GLU 50 HG1 GLU 50 -12.496 -2.381 -6.045 267 H LYS 51 HN LYS 51 -16.397 -0.516 -4.290 268 HA LYS 51 HA LYS 51 -16.434 -3.440 -4.064 269 HB2 LYS 51 HB2 LYS 51 -18.343 -1.358 -2.959 270 HB3 LYS 51 HB1 LYS 51 -18.420 -3.091 -2.654 271 HG2 LYS 51 HG2 LYS 51 -16.487 -3.069 -1.344 272 HG3 LYS 51 HG1 LYS 51 -15.980 -1.495 -1.955 273 HD2 LYS 51 HD2 LYS 51 -18.352 -2.023 -0.162 274 HD3 LYS 51 HD1 LYS 51 -16.806 -1.336 0.341 275 HE2 LYS 51 HE2 LYS 51 -17.280 0.446 -1.467 276 HE3 LYS 51 HE1 LYS 51 -18.944 -0.129 -1.376 277 HZ1 LYS 51 HZ1 LYS 51 -18.743 1.687 0.100 278 HZ2 LYS 51 HZ2 LYS 51 -17.314 1.083 0.785 279 HZ3 LYS 51 HZ3 LYS 51 -18.793 0.299 1.081 280 HA PRO 52 HA PRO 52 -18.143 -3.520 -8.126 281 HB2 PRO 52 HB2 PRO 52 -19.721 -5.824 -7.544 282 HB3 PRO 52 HB1 PRO 52 -18.164 -5.757 -8.370 283 HG2 PRO 52 HG2 PRO 52 -18.778 -6.385 -5.544 284 HG3 PRO 52 HG1 PRO 52 -17.412 -6.908 -6.545 285 HD2 PRO 52 HD2 PRO 52 -17.120 -5.083 -4.598 286 HD3 PRO 52 HD1 PRO 52 -16.202 -4.980 -6.118 287 H GLY 53 HN GLY 53 -19.629 -2.133 -8.719 288 HA2 GLY 53 HA2 GLY 53 -21.965 -1.714 -9.161 289 HA3 GLY 53 HA1 GLY 53 -22.338 -2.356 -7.567 290 H GLN 54 HN GLN 54 -19.894 -0.818 -6.583 291 HA GLN 54 HA GLN 54 -21.246 1.787 -6.345 292 HB2 GLN 54 HB2 GLN 54 -19.491 0.342 -4.351 293 HB3 GLN 54 HB1 GLN 54 -20.207 1.932 -4.112 294 HG2 GLN 54 HG2 GLN 54 -22.413 1.015 -4.130 295 HG3 GLN 54 HG1 GLN 54 -21.798 -0.571 -4.601 296 HE21 GLN 54 HE21 GLN 54 -20.863 -1.880 -3.085 297 HE22 GLN 54 HE22 GLN 54 -20.956 -1.564 -1.385 298 HA PRO 55 HA PRO 55 -17.650 3.711 -8.096 299 HB2 PRO 55 HB2 PRO 55 -18.314 6.010 -6.366 300 HB3 PRO 55 HB1 PRO 55 -18.235 5.917 -8.128 301 HG2 PRO 55 HG2 PRO 55 -20.580 6.113 -6.859 302 HG3 PRO 55 HG1 PRO 55 -20.400 5.119 -8.317 303 HD2 PRO 55 HD2 PRO 55 -20.485 4.271 -5.445 304 HD3 PRO 55 HD1 PRO 55 -21.261 3.532 -6.862 305 H LYS 56 HN LYS 56 -15.678 4.808 -7.431 306 HA LYS 56 HA LYS 56 -14.623 3.312 -5.167 307 HB2 LYS 56 HB2 LYS 56 -13.167 4.857 -7.317 308 HB3 LYS 56 HB1 LYS 56 -12.480 3.658 -6.225 309 HG2 LYS 56 HG2 LYS 56 -13.385 1.894 -7.362 310 HG3 LYS 56 HG1 LYS 56 -14.736 2.843 -7.982 311 HD2 LYS 56 HD2 LYS 56 -13.187 4.025 -9.477 312 HD3 LYS 56 HD1 LYS 56 -11.864 3.005 -8.896 313 HE2 LYS 56 HE2 LYS 56 -14.341 2.120 -10.372 314 HE3 LYS 56 HE1 LYS 56 -12.693 2.147 -10.996 315 HZ1 LYS 56 HZ1 LYS 56 -12.128 0.512 -9.222 316 HZ2 LYS 56 HZ2 LYS 56 -13.214 -0.070 -10.385 317 HZ3 LYS 56 HZ3 LYS 56 -13.783 0.399 -8.859 318 H ARG 57 HN ARG 57 -13.495 4.224 -3.480 319 HA ARG 57 HA ARG 57 -13.409 7.161 -3.367 320 HB2 ARG 57 HB2 ARG 57 -15.415 6.207 -2.134 321 HB3 ARG 57 HB1 ARG 57 -14.270 5.452 -1.034 322 HG2 ARG 57 HG2 ARG 57 -14.746 7.366 0.107 323 HG3 ARG 57 HG1 ARG 57 -13.344 7.891 -0.822 324 HD2 ARG 57 HD2 ARG 57 -16.242 8.398 -1.453 325 HD3 ARG 57 HD1 ARG 57 -15.049 9.587 -0.953 326 HE ARG 57 HE ARG 57 -14.606 8.154 -3.468 327 HH11 ARG 57 HH11 ARG 57 -15.534 11.086 -1.808 328 HH12 ARG 57 HH12 ARG 57 -15.365 12.095 -3.212 329 HH21 ARG 57 HH21 ARG 57 -14.420 9.470 -5.345 330 HH22 ARG 57 HH22 ARG 57 -14.769 11.170 -5.228 331 H LEU 58 HN LEU 58 -11.536 7.946 -2.547 332 HA LEU 58 HA LEU 58 -9.345 6.210 -2.178 333 HB2 LEU 58 HB2 LEU 58 -9.792 9.135 -1.846 334 HB3 LEU 58 HB1 LEU 58 -8.358 8.428 -1.130 335 HG LEU 58 HG LEU 58 -9.108 8.348 -4.050 336 HD11 LEU 58 HD11 LEU 58 -6.898 9.794 -2.600 337 HD12 LEU 58 HD12 LEU 58 -8.331 10.535 -3.311 338 HD13 LEU 58 HD13 LEU 58 -7.136 9.755 -4.347 339 HD21 LEU 58 HD21 LEU 58 -7.989 6.330 -3.626 340 HD22 LEU 58 HD22 LEU 58 -6.870 7.088 -2.495 341 HD23 LEU 58 HD23 LEU 58 -6.738 7.422 -4.226 342 H VAL 59 HN VAL 59 -8.604 5.185 -0.475 343 HA VAL 59 HA VAL 59 -9.838 5.794 2.136 344 HB VAL 59 HB VAL 59 -9.544 3.479 2.774 345 HG11 VAL 59 HG11 VAL 59 -10.821 3.607 0.052 346 HG12 VAL 59 HG12 VAL 59 -11.581 4.139 1.548 347 HG13 VAL 59 HG13 VAL 59 -11.163 2.440 1.329 348 HG21 VAL 59 HG21 VAL 59 -8.737 1.785 1.202 349 HG22 VAL 59 HG22 VAL 59 -7.492 2.988 1.551 350 HG23 VAL 59 HG23 VAL 59 -8.377 3.048 0.026 351 H ALA 60 HN ALA 60 -6.915 5.547 0.364 352 HA ALA 60 HA ALA 60 -5.463 6.766 2.463 353 HB1 ALA 60 HB1 ALA 60 -4.761 3.905 1.847 354 HB2 ALA 60 HB2 ALA 60 -5.407 4.536 3.359 355 HB3 ALA 60 HB3 ALA 60 -3.798 5.009 2.832 356 H ILE 61 HN ILE 61 -3.901 7.929 1.627 357 HA ILE 61 HA ILE 61 -2.664 7.024 -0.893 358 HB ILE 61 HB ILE 61 -2.642 9.847 0.221 359 HG12 ILE 61 HG12 ILE 61 -3.884 10.252 -2.036 360 HG13 ILE 61 HG11 ILE 61 -4.271 8.538 -1.942 361 HG21 ILE 61 HG21 ILE 61 -1.649 8.841 -2.440 362 HG22 ILE 61 HG22 ILE 61 -0.616 9.099 -1.035 363 HG23 ILE 61 HG23 ILE 61 -1.464 10.463 -1.770 364 HD11 ILE 61 HD11 ILE 61 -5.040 10.706 -0.015 365 HD12 ILE 61 HD12 ILE 61 -5.251 8.989 0.309 366 HD13 ILE 61 HD13 ILE 61 -6.100 9.740 -1.044 367 H CYS 62 HN CYS 62 -0.730 6.115 -0.540 368 HA CYS 62 HA CYS 62 0.483 6.718 2.073 369 HB2 CYS 62 HB2 CYS 62 -0.806 4.534 1.891 370 HB3 CYS 62 HB1 CYS 62 0.473 3.980 0.811 371 H LYS 63 HN LYS 63 2.643 6.701 2.292 372 HA LYS 63 HA LYS 63 4.271 6.304 -0.137 373 HB2 LYS 63 HB2 LYS 63 5.048 8.062 2.193 374 HB3 LYS 63 HB1 LYS 63 5.794 7.976 0.600 375 HG2 LYS 63 HG2 LYS 63 2.975 8.791 0.778 376 HG3 LYS 63 HG1 LYS 63 4.193 9.950 1.300 377 HD2 LYS 63 HD2 LYS 63 5.309 9.402 -0.973 378 HD3 LYS 63 HD1 LYS 63 3.725 8.757 -1.410 379 HE2 LYS 63 HE2 LYS 63 4.282 11.567 -0.448 380 HE3 LYS 63 HE1 LYS 63 3.996 11.094 -2.122 381 HZ1 LYS 63 HZ1 LYS 63 2.046 12.053 -0.897 382 HZ2 LYS 63 HZ2 LYS 63 2.002 10.632 0.030 383 HZ3 LYS 63 HZ3 LYS 63 1.770 10.564 -1.645 384 H ASN 64 HN ASN 64 6.477 5.656 0.414 385 HA ASN 64 HA ASN 64 6.463 3.730 2.624 386 HB2 ASN 64 HB2 ASN 64 7.187 2.879 0.421 387 HB3 ASN 64 HB1 ASN 64 8.480 4.073 0.386 388 HD21 ASN 64 HD21 ASN 64 10.307 3.755 1.567 389 HD22 ASN 64 HD22 ASN 64 10.659 2.255 2.369 390 H ALA 65 HN ALA 65 7.802 3.887 4.355 391 HA ALA 65 HA ALA 65 8.375 6.252 5.502 392 HB1 ALA 65 HB1 ALA 65 10.082 3.790 5.830 393 HB2 ALA 65 HB2 ALA 65 8.535 4.071 6.623 394 HB3 ALA 65 HB3 ALA 65 9.911 5.112 6.986 395 H SER 66 HN SER 66 10.846 4.373 3.772 396 HA SER 66 HA SER 66 12.486 6.794 3.571 397 HB2 SER 66 HB2 SER 66 13.627 4.887 4.572 398 HB3 SER 66 HB1 SER 66 13.183 3.864 3.207 399 HG SER 66 HG SER 66 15.035 6.005 3.307 400 HA PRO 67 HA PRO 67 11.599 6.794 -0.824 401 HB2 PRO 67 HB2 PRO 67 13.335 8.695 -1.577 402 HB3 PRO 67 HB1 PRO 67 11.883 9.087 -0.649 403 HG2 PRO 67 HG2 PRO 67 14.710 8.806 0.283 404 HG3 PRO 67 HG1 PRO 67 13.489 10.001 0.751 405 HD2 PRO 67 HD2 PRO 67 14.126 7.773 2.235 406 HD3 PRO 67 HD1 PRO 67 12.569 8.620 2.320 407 H VAL 68 HN VAL 68 14.479 5.881 0.708 408 HA VAL 68 HA VAL 68 15.785 5.084 -1.796 409 HB VAL 68 HB VAL 68 16.939 4.874 0.978 410 HG11 VAL 68 HG11 VAL 68 18.423 5.135 -1.609 411 HG12 VAL 68 HG12 VAL 68 17.828 3.577 -1.049 412 HG13 VAL 68 HG13 VAL 68 18.983 4.482 -0.067 413 HG21 VAL 68 HG21 VAL 68 18.145 6.967 0.487 414 HG22 VAL 68 HG22 VAL 68 16.401 7.210 0.583 415 HG23 VAL 68 HG23 VAL 68 17.198 7.148 -0.990 416 H HIS 69 HN HIS 69 15.167 3.700 1.434 417 HA HIS 69 HA HIS 69 15.123 1.037 0.177 418 HB2 HIS 69 HB2 HIS 69 15.533 1.822 3.064 419 HB3 HIS 69 HB1 HIS 69 15.353 0.169 2.520 420 HD1 HIS 69 HD1 HIS 69 17.431 -1.029 2.034 421 HD2 HIS 69 HD2 HIS 69 17.937 3.096 1.811 422 HE1 HIS 69 HE1 HIS 69 19.895 -0.663 1.666 423 HE2 HIS 69 HE2 HIS 69 20.201 1.839 1.677 424 H CYS 70 HN CYS 70 13.600 -0.509 1.180 425 HA CYS 70 HA CYS 70 10.984 0.776 1.518 426 HB2 CYS 70 HB2 CYS 70 10.156 -1.581 1.010 427 HB3 CYS 70 HB1 CYS 70 10.973 -0.743 -0.307 428 HG CYS 70 HG CYS 70 12.582 -2.977 1.722 429 H ASN 71 HN ASN 71 10.054 0.782 3.490 430 HA ASN 71 HA ASN 71 10.992 -1.220 5.445 431 HB2 ASN 71 HB2 ASN 71 10.491 1.712 6.013 432 HB3 ASN 71 HB1 ASN 71 10.854 0.494 7.227 433 HD21 ASN 71 HD21 ASN 71 12.269 2.894 6.704 434 HD22 ASN 71 HD22 ASN 71 13.883 2.449 6.256 435 H TYR 72 HN TYR 72 8.784 1.393 6.083 436 HA TYR 72 HA TYR 72 6.523 -0.471 6.071 437 HB2 TYR 72 HB2 TYR 72 7.212 1.510 8.255 438 HB3 TYR 72 HB1 TYR 72 5.715 0.588 8.169 439 HD1 TYR 72 HD2 TYR 72 5.892 -1.961 8.206 440 HD2 TYR 72 HD1 TYR 72 9.107 0.601 9.302 441 HE1 TYR 72 HE2 TYR 72 6.952 -3.820 9.407 442 HE2 TYR 72 HE1 TYR 72 10.186 -1.260 10.502 443 HH TYR 72 HH TYR 72 9.486 -3.417 11.573 444 H LEU 73 HN LEU 73 4.455 1.046 6.578 445 HA LEU 73 HA LEU 73 4.604 2.907 4.319 446 HB2 LEU 73 HB2 LEU 73 2.303 1.295 5.386 447 HB3 LEU 73 HB1 LEU 73 2.158 2.480 4.103 448 HG LEU 73 HG LEU 73 3.610 -0.148 4.044 449 HD11 LEU 73 HD11 LEU 73 2.198 -0.489 2.051 450 HD12 LEU 73 HD12 LEU 73 1.418 1.065 2.368 451 HD13 LEU 73 HD13 LEU 73 1.264 -0.256 3.530 452 HD21 LEU 73 HD21 LEU 73 5.140 1.397 3.047 453 HD22 LEU 73 HD22 LEU 73 3.849 2.155 2.116 454 HD23 LEU 73 HD23 LEU 73 4.346 0.501 1.751 455 H LYS 74 HN LYS 74 4.234 4.948 4.559 456 HA LYS 74 HA LYS 74 2.812 5.919 6.954 457 HB2 LYS 74 HB2 LYS 74 5.062 7.014 5.331 458 HB3 LYS 74 HB1 LYS 74 3.894 8.171 5.952 459 HG2 LYS 74 HG2 LYS 74 5.785 7.975 7.443 460 HG3 LYS 74 HG1 LYS 74 4.321 7.381 8.226 461 HD2 LYS 74 HD2 LYS 74 5.003 5.078 7.729 462 HD3 LYS 74 HD1 LYS 74 6.472 5.684 6.960 463 HE2 LYS 74 HE2 LYS 74 6.896 4.934 9.253 464 HE3 LYS 74 HE1 LYS 74 7.197 6.660 9.065 465 HZ1 LYS 74 HZ1 LYS 74 4.733 5.468 10.223 466 HZ2 LYS 74 HZ2 LYS 74 5.058 7.123 10.077 467 HZ3 LYS 74 HZ3 LYS 74 6.001 6.164 11.110 468 H CYS 75 HN CYS 75 0.719 6.200 6.449 469 HA CYS 75 HA CYS 75 0.084 7.122 3.715 470 HB2 CYS 75 HB2 CYS 75 -1.845 5.475 5.282 471 HB3 CYS 75 HB1 CYS 75 -1.605 5.556 3.540 472 H THR 76 HN THR 76 -1.752 8.466 3.464 473 HA THR 76 HA THR 76 -2.812 9.594 5.965 474 HB THR 76 HB THR 76 -1.204 11.095 4.593 475 HG1 THR 76 HG1 THR 76 -2.820 11.744 6.257 476 HG21 THR 76 HG21 THR 76 -2.616 10.458 2.463 477 HG22 THR 76 HG22 THR 76 -1.910 12.064 2.629 478 HG23 THR 76 HG23 THR 76 -3.617 11.807 2.993 479 H ASN 77 HN ASN 77 -4.906 10.903 5.362 480 HA ASN 77 HA ASN 77 -7.113 10.776 4.836 481 HB2 ASN 77 HB2 ASN 77 -5.909 9.670 2.306 482 HB3 ASN 77 HB1 ASN 77 -7.647 9.847 2.502 483 HD21 ASN 77 HD21 ASN 77 -7.776 11.308 0.828 484 HD22 ASN 77 HD22 ASN 77 -7.197 12.936 0.949 485 H LEU 78 HN LEU 78 -6.061 8.642 6.420 486 HA LEU 78 HA LEU 78 -6.858 6.098 5.449 487 HB2 LEU 78 HB2 LEU 78 -6.397 7.059 8.274 488 HB3 LEU 78 HB1 LEU 78 -6.632 5.381 7.822 489 HG LEU 78 HG LEU 78 -4.342 7.140 6.936 490 HD11 LEU 78 HD11 LEU 78 -2.982 5.684 8.352 491 HD12 LEU 78 HD12 LEU 78 -4.435 4.833 8.876 492 HD13 LEU 78 HD13 LEU 78 -4.212 6.532 9.290 493 HD21 LEU 78 HD21 LEU 78 -3.404 5.091 5.991 494 HD22 LEU 78 HD22 LEU 78 -4.945 5.500 5.235 495 HD23 LEU 78 HD23 LEU 78 -4.869 4.211 6.438 496 H ALA 79 HN ALA 79 -8.756 5.054 5.517 497 HA ALA 79 HA ALA 79 -11.044 6.631 6.454 498 HB1 ALA 79 HB1 ALA 79 -12.392 5.291 4.922 499 HB2 ALA 79 HB2 ALA 79 -10.970 4.343 4.488 500 HB3 ALA 79 HB3 ALA 79 -11.043 6.058 4.086 501 H ALA 80 HN ALA 80 -10.275 5.798 8.637 502 HA ALA 80 HA ALA 80 -10.745 4.647 10.514 503 HB1 ALA 80 HB1 ALA 80 -12.959 3.724 10.760 504 HB2 ALA 80 HB2 ALA 80 -13.181 3.716 9.010 505 HB3 ALA 80 HB3 ALA 80 -13.034 5.248 9.873 506 H GLY 81 HN GLY 81 -12.364 2.143 8.658 507 HA2 GLY 81 HA2 GLY 81 -10.669 0.131 9.818 508 HA3 GLY 81 HA1 GLY 81 -11.992 -0.140 8.693 509 H PHE 82 HN PHE 82 -10.518 2.049 7.036 510 HA PHE 82 HA PHE 82 -8.842 0.134 5.599 511 HB2 PHE 82 HB2 PHE 82 -9.902 2.845 4.791 512 HB3 PHE 82 HB1 PHE 82 -8.903 1.819 3.775 513 HD1 PHE 82 HD2 PHE 82 -9.804 -0.205 2.781 514 HD2 PHE 82 HD1 PHE 82 -12.212 2.345 5.186 515 HE1 PHE 82 HE2 PHE 82 -11.828 -1.312 1.919 516 HE2 PHE 82 HE1 PHE 82 -14.240 1.251 4.326 517 HZ PHE 82 HZ PHE 82 -14.050 -0.581 2.692 518 H SER 83 HN SER 83 -6.797 0.110 6.219 519 HA SER 83 HA SER 83 -5.270 2.577 6.096 520 HB2 SER 83 HB2 SER 83 -5.121 0.737 8.502 521 HB3 SER 83 HB1 SER 83 -4.105 2.146 8.216 522 HG SER 83 HG SER 83 -6.722 2.802 8.032 523 H ALA 84 HN ALA 84 -2.825 1.926 6.235 524 HA ALA 84 HA ALA 84 -2.604 -0.570 4.693 525 HB1 ALA 84 HB1 ALA 84 -0.774 0.396 3.475 526 HB2 ALA 84 HB2 ALA 84 -0.804 1.833 4.495 527 HB3 ALA 84 HB3 ALA 84 -2.151 1.499 3.409 528 H GLY 85 HN GLY 85 -0.572 -1.717 4.869 529 HA2 GLY 85 HA2 GLY 85 0.214 -1.726 7.711 530 HA3 GLY 85 HA1 GLY 85 0.129 -3.150 6.680 531 H THR 86 HN THR 86 1.719 -3.274 4.905 532 HA THR 86 HA THR 86 4.105 -1.697 5.081 533 HB THR 86 HB THR 86 4.367 -3.162 7.074 534 HG1 THR 86 HG1 THR 86 6.442 -4.164 6.230 535 HG21 THR 86 HG21 THR 86 3.107 -5.104 6.273 536 HG22 THR 86 HG22 THR 86 4.731 -5.565 6.786 537 HG23 THR 86 HG23 THR 86 4.356 -5.420 5.069 538 H SER 87 HN SER 87 5.909 -3.215 3.835 539 HA SER 87 HA SER 87 4.529 -4.179 1.419 540 HB2 SER 87 HB2 SER 87 7.259 -2.873 1.607 541 HB3 SER 87 HB1 SER 87 6.458 -3.401 0.126 542 HG SER 87 HG SER 87 5.902 -1.209 1.779 543 H THR 88 HN THR 88 5.303 -6.070 0.457 544 HA THR 88 HA THR 88 7.380 -7.576 1.884 545 HB THR 88 HB THR 88 5.918 -9.600 1.825 546 HG1 THR 88 HG1 THR 88 4.280 -9.173 0.477 547 HG21 THR 88 HG21 THR 88 4.987 -7.265 3.492 548 HG22 THR 88 HG22 THR 88 6.216 -8.451 3.924 549 HG23 THR 88 HG23 THR 88 4.528 -8.943 3.782 550 H ASP 89 HN ASP 89 6.810 -10.004 0.554 551 HA ASP 89 HA ASP 89 7.101 -11.196 -1.342 552 HB2 ASP 89 HB2 ASP 89 5.174 -9.929 -2.196 553 HB3 ASP 89 HB1 ASP 89 6.260 -8.668 -2.765 554 H VAL 90 HN VAL 90 8.063 -8.071 -2.717 555 HA VAL 90 HA VAL 90 10.326 -9.206 -3.938 556 HB VAL 90 HB VAL 90 10.965 -6.732 -4.316 557 HG11 VAL 90 HG11 VAL 90 9.254 -6.522 -6.062 558 HG12 VAL 90 HG12 VAL 90 8.321 -7.810 -5.299 559 HG13 VAL 90 HG13 VAL 90 9.903 -8.160 -5.994 560 HG21 VAL 90 HG21 VAL 90 8.301 -6.498 -2.949 561 HG22 VAL 90 HG22 VAL 90 8.860 -5.287 -4.097 562 HG23 VAL 90 HG23 VAL 90 9.787 -5.601 -2.627 563 H LEU 91 HN LEU 91 9.934 -7.264 -1.018 564 HA LEU 91 HA LEU 91 12.787 -7.337 -0.507 565 HB2 LEU 91 HB2 LEU 91 12.294 -5.926 1.415 566 HB3 LEU 91 HB1 LEU 91 11.601 -5.275 -0.054 567 HG LEU 91 HG LEU 91 9.486 -6.672 0.907 568 HD11 LEU 91 HD11 LEU 91 10.988 -5.630 3.305 569 HD12 LEU 91 HD12 LEU 91 10.632 -7.320 2.947 570 HD13 LEU 91 HD13 LEU 91 9.318 -6.199 3.308 571 HD21 LEU 91 HD21 LEU 91 8.622 -4.521 1.645 572 HD22 LEU 91 HD22 LEU 91 9.498 -4.358 0.121 573 HD23 LEU 91 HD23 LEU 91 10.252 -3.849 1.631 574 H SER 92 HN SER 92 9.892 -8.961 0.593 575 HA SER 92 HA SER 92 11.239 -10.136 2.875 576 HB2 SER 92 HB2 SER 92 8.521 -10.881 1.795 577 HB3 SER 92 HB1 SER 92 9.128 -11.087 3.439 578 HG SER 92 HG SER 92 9.005 -8.906 3.766 579 H SER 93 HN SER 93 9.290 -11.692 0.361 580 HA SER 93 HA SER 93 11.357 -13.389 -0.581 581 HB2 SER 93 HB2 SER 93 10.977 -14.432 1.651 582 HB3 SER 93 HB1 SER 93 9.284 -14.677 1.225 583 HG SER 93 HG SER 93 11.550 -16.042 0.407 584 H GLY 94 HN GLY 94 7.832 -13.552 0.047 585 HA2 GLY 94 HA2 GLY 94 7.131 -12.917 -2.611 586 HA3 GLY 94 HA1 GLY 94 7.116 -14.663 -2.406 587 H THR 95 HN THR 95 4.999 -12.541 -2.829 588 HA THR 95 HA THR 95 3.153 -13.690 -0.860 589 HB THR 95 HB THR 95 1.902 -11.506 -0.804 590 HG1 THR 95 HG1 THR 95 3.754 -10.811 -2.580 591 HG21 THR 95 HG21 THR 95 4.689 -11.479 0.347 592 HG22 THR 95 HG22 THR 95 3.286 -12.266 1.069 593 HG23 THR 95 HG23 THR 95 3.327 -10.509 0.906 594 H VAL 96 HN VAL 96 0.799 -12.566 -1.782 595 HA VAL 96 HA VAL 96 0.744 -13.597 -4.545 596 HB VAL 96 HB VAL 96 -1.598 -14.282 -4.119 597 HG11 VAL 96 HG11 VAL 96 -1.056 -16.227 -2.718 598 HG12 VAL 96 HG12 VAL 96 0.451 -15.445 -2.234 599 HG13 VAL 96 HG13 VAL 96 0.194 -15.906 -3.918 600 HG21 VAL 96 HG21 VAL 96 -0.983 -13.568 -1.250 601 HG22 VAL 96 HG22 VAL 96 -2.433 -14.392 -1.825 602 HG23 VAL 96 HG23 VAL 96 -2.118 -12.725 -2.305 603 H GLY 97 HN GLY 97 1.131 -10.821 -3.631 604 HA2 GLY 97 HA2 GLY 97 0.483 -8.728 -4.323 605 HA3 GLY 97 HA1 GLY 97 -0.627 -9.517 -5.437 606 H SER 98 HN SER 98 -2.695 -9.119 -5.108 607 HA SER 98 HA SER 98 -3.561 -7.981 -2.583 608 HB2 SER 98 HB2 SER 98 -5.075 -8.427 -5.169 609 HB3 SER 98 HB1 SER 98 -5.682 -7.546 -3.768 610 HG SER 98 HG SER 98 -4.227 -6.614 -5.771 Start of MODEL 17 1 H1 SER 19 HT1 SER 19 20.731 -1.702 -2.412 2 H2 SER 19 HT2 SER 19 19.517 -1.398 -3.556 3 H3 SER 19 HT3 SER 19 19.099 -1.838 -1.971 4 HA SER 19 HA SER 19 20.008 0.182 -1.105 5 HB2 SER 19 HB2 SER 19 21.778 0.440 -2.827 6 HB3 SER 19 HB1 SER 19 20.546 0.889 -4.005 7 HG SER 19 HG SER 19 21.643 2.679 -2.972 8 H PHE 20 HN PHE 20 18.798 1.216 -4.251 9 HA PHE 20 HA PHE 20 16.357 2.120 -2.989 10 HB2 PHE 20 HB2 PHE 20 15.854 3.227 -5.091 11 HB3 PHE 20 HB1 PHE 20 17.508 3.587 -4.619 12 HD1 PHE 20 HD1 PHE 20 19.080 1.450 -5.563 13 HD2 PHE 20 HD2 PHE 20 15.648 3.173 -7.369 14 HE1 PHE 20 HE1 PHE 20 19.899 0.734 -7.775 15 HE2 PHE 20 HE2 PHE 20 16.442 2.450 -9.584 16 HZ PHE 20 HZ PHE 20 18.572 1.230 -9.790 17 H VAL 21 HN VAL 21 14.500 1.112 -3.046 18 HA VAL 21 HA VAL 21 14.229 -1.235 -4.783 19 HB VAL 21 HB VAL 21 14.999 -2.183 -2.769 20 HG11 VAL 21 HG11 VAL 21 12.952 -0.594 -1.239 21 HG12 VAL 21 HG12 VAL 21 14.636 -0.117 -1.437 22 HG13 VAL 21 HG13 VAL 21 14.238 -1.610 -0.582 23 HG21 VAL 21 HG21 VAL 21 12.939 -3.243 -3.733 24 HG22 VAL 21 HG22 VAL 21 12.002 -2.368 -2.519 25 HG23 VAL 21 HG23 VAL 21 13.200 -3.559 -2.018 26 H GLN 22 HN GLN 22 12.263 -1.625 -5.579 27 HA GLN 22 HA GLN 22 10.045 0.098 -4.745 28 HB2 GLN 22 HB2 GLN 22 8.974 -0.735 -6.876 29 HB3 GLN 22 HB1 GLN 22 10.427 0.230 -7.102 30 HG2 GLN 22 HG2 GLN 22 10.870 -1.444 -8.564 31 HG3 GLN 22 HG1 GLN 22 11.572 -2.152 -7.112 32 HE21 GLN 22 HE21 GLN 22 8.139 -1.858 -7.773 33 HE22 GLN 22 HE22 GLN 22 7.840 -3.555 -7.905 34 H CYS 23 HN CYS 23 8.045 -0.843 -4.082 35 HA CYS 23 HA CYS 23 8.135 -3.715 -3.575 36 HB2 CYS 23 HB2 CYS 23 7.681 -3.389 -1.164 37 HB3 CYS 23 HB1 CYS 23 9.265 -2.796 -1.650 38 HG CYS 23 HG CYS 23 7.250 -1.258 0.189 39 H ASN 24 HN ASN 24 6.154 -4.677 -3.098 40 HA ASN 24 HA ASN 24 3.834 -3.271 -4.013 41 HB2 ASN 24 HB2 ASN 24 2.687 -5.446 -3.115 42 HB3 ASN 24 HB1 ASN 24 3.696 -5.532 -4.553 43 HD21 ASN 24 HD21 ASN 24 5.610 -6.623 -4.480 44 HD22 ASN 24 HD22 ASN 24 6.089 -7.617 -3.149 45 H HIS 25 HN HIS 25 2.759 -1.881 -2.842 46 HA HIS 25 HA HIS 25 3.065 -1.811 0.045 47 HB2 HIS 25 HB2 HIS 25 1.502 -0.041 -1.840 48 HB3 HIS 25 HB1 HIS 25 1.634 0.228 -0.115 49 HD1 HIS 25 HD1 HIS 25 4.679 -0.769 -2.078 50 HD2 HIS 25 HD2 HIS 25 2.942 2.659 -0.498 51 HE1 HIS 25 HE1 HIS 25 6.438 1.011 -2.228 52 HE2 HIS 25 HE2 HIS 25 5.273 3.120 -1.517 53 H HIS 26 HN HIS 26 1.810 -3.010 1.291 54 HA HIS 26 HA HIS 26 -0.633 -4.169 0.239 55 HB2 HIS 26 HB2 HIS 26 0.875 -4.582 2.821 56 HB3 HIS 26 HB1 HIS 26 -0.671 -5.350 2.491 57 HD1 HIS 26 HD1 HIS 26 -0.458 -7.630 1.650 58 HD2 HIS 26 HD2 HIS 26 2.826 -5.298 0.623 59 HE1 HIS 26 HE1 HIS 26 1.120 -9.173 0.447 60 HE2 HIS 26 HE2 HIS 26 3.201 -7.802 0.091 61 H LEU 27 HN LEU 27 -2.599 -3.403 0.590 62 HA LEU 27 HA LEU 27 -3.010 -1.474 2.766 63 HB2 LEU 27 HB2 LEU 27 -3.742 -1.080 0.305 64 HB3 LEU 27 HB1 LEU 27 -5.045 -2.205 0.672 65 HG LEU 27 HG LEU 27 -5.691 0.204 0.855 66 HD11 LEU 27 HD11 LEU 27 -6.905 0.005 2.921 67 HD12 LEU 27 HD12 LEU 27 -5.807 -1.264 3.475 68 HD13 LEU 27 HD13 LEU 27 -6.887 -1.563 2.107 69 HD21 LEU 27 HD21 LEU 27 -3.602 1.097 1.717 70 HD22 LEU 27 HD22 LEU 27 -3.800 0.171 3.204 71 HD23 LEU 27 HD23 LEU 27 -4.932 1.466 2.813 72 H LEU 28 HN LEU 28 -4.209 -1.956 4.489 73 HA LEU 28 HA LEU 28 -5.181 -4.709 4.711 74 HB2 LEU 28 HB2 LEU 28 -3.658 -3.067 6.406 75 HB3 LEU 28 HB1 LEU 28 -5.236 -3.187 7.166 76 HG LEU 28 HG LEU 28 -3.674 -4.897 7.989 77 HD11 LEU 28 HD11 LEU 28 -5.130 -6.845 7.686 78 HD12 LEU 28 HD12 LEU 28 -5.972 -6.002 6.384 79 HD13 LEU 28 HD13 LEU 28 -6.050 -5.379 8.032 80 HD21 LEU 28 HD21 LEU 28 -2.274 -5.257 6.103 81 HD22 LEU 28 HD22 LEU 28 -3.642 -5.738 5.103 82 HD23 LEU 28 HD23 LEU 28 -3.107 -6.781 6.424 83 H TYR 29 HN TYR 29 -7.237 -5.122 4.739 84 HA TYR 29 HA TYR 29 -9.190 -2.942 4.817 85 HB2 TYR 29 HB2 TYR 29 -9.239 -4.623 2.959 86 HB3 TYR 29 HB1 TYR 29 -9.489 -5.893 4.147 87 HD1 TYR 29 HD1 TYR 29 -11.018 -2.875 2.642 88 HD2 TYR 29 HD2 TYR 29 -11.659 -6.428 4.890 89 HE1 TYR 29 HE1 TYR 29 -13.445 -2.610 2.356 90 HE2 TYR 29 HE2 TYR 29 -14.089 -6.169 4.621 91 HH TYR 29 HH TYR 29 -15.732 -4.553 4.101 92 H ASN 30 HN ASN 30 -10.947 -3.047 6.348 93 HA ASN 30 HA ASN 30 -10.241 -3.769 8.928 94 HB2 ASN 30 HB2 ASN 30 -12.948 -3.318 7.677 95 HB3 ASN 30 HB1 ASN 30 -12.764 -3.684 9.388 96 HD21 ASN 30 HD21 ASN 30 -13.533 -1.752 10.097 97 HD22 ASN 30 HD22 ASN 30 -12.683 -0.252 9.895 98 H GLY 31 HN GLY 31 -9.580 -5.769 9.369 99 HA2 GLY 31 HA2 GLY 31 -10.507 -7.972 10.070 100 HA3 GLY 31 HA1 GLY 31 -11.288 -8.009 8.494 101 H ARG 32 HN ARG 32 -9.582 -7.622 6.605 102 HA ARG 32 HA ARG 32 -7.198 -9.236 7.142 103 HB2 ARG 32 HB2 ARG 32 -9.276 -10.054 5.101 104 HB3 ARG 32 HB1 ARG 32 -7.716 -10.829 5.343 105 HG2 ARG 32 HG2 ARG 32 -9.927 -10.696 7.380 106 HG3 ARG 32 HG1 ARG 32 -9.566 -12.078 6.344 107 HD2 ARG 32 HD2 ARG 32 -7.495 -12.462 7.405 108 HD3 ARG 32 HD1 ARG 32 -7.515 -10.878 8.182 109 HE ARG 32 HE ARG 32 -9.731 -12.489 8.980 110 HH11 ARG 32 HH11 ARG 32 -6.307 -12.005 9.505 111 HH12 ARG 32 HH12 ARG 32 -6.361 -12.497 11.172 112 HH21 ARG 32 HH21 ARG 32 -9.822 -13.127 11.160 113 HH22 ARG 32 HH22 ARG 32 -8.360 -13.161 12.112 114 H HIS 33 HN HIS 33 -6.021 -9.662 4.968 115 HA HIS 33 HA HIS 33 -5.119 -7.430 3.690 116 HB2 HIS 33 HB2 HIS 33 -3.905 -9.350 3.280 117 HB3 HIS 33 HB1 HIS 33 -5.330 -10.322 2.984 118 HD1 HIS 33 HD1 HIS 33 -6.183 -10.507 0.606 119 HD2 HIS 33 HD2 HIS 33 -2.931 -7.937 0.991 120 HE1 HIS 33 HE1 HIS 33 -5.413 -10.031 -1.738 121 HE2 HIS 33 HE2 HIS 33 -3.540 -8.362 -1.503 122 H TRP 34 HN TRP 34 -5.855 -6.033 2.176 123 HA TRP 34 HA TRP 34 -8.332 -6.735 0.763 124 HB2 TRP 34 HB2 TRP 34 -8.271 -4.545 1.983 125 HB3 TRP 34 HB1 TRP 34 -6.982 -4.027 0.897 126 HD1 TRP 34 HD1 TRP 34 -10.737 -4.693 0.985 127 HE1 TRP 34 HE1 TRP 34 -11.807 -3.726 -1.139 128 HE3 TRP 34 HE3 TRP 34 -6.489 -3.418 -1.563 129 HZ2 TRP 34 HZ2 TRP 34 -10.969 -2.575 -3.583 130 HZ3 TRP 34 HZ3 TRP 34 -6.710 -2.390 -3.787 131 HH2 TRP 34 HH2 TRP 34 -8.908 -1.978 -4.777 132 H GLY 35 HN GLY 35 -5.191 -5.169 0.113 133 HA2 GLY 35 HA2 GLY 35 -4.739 -6.690 -2.247 134 HA3 GLY 35 HA1 GLY 35 -5.372 -5.099 -2.650 135 H THR 36 HN THR 36 -3.070 -5.362 -3.704 136 HA THR 36 HA THR 36 -1.327 -3.693 -2.125 137 HB THR 36 HB THR 36 -0.697 -6.019 -1.464 138 HG1 THR 36 HG1 THR 36 1.617 -5.672 -2.156 139 HG21 THR 36 HG21 THR 36 0.207 -6.256 -4.325 140 HG22 THR 36 HG22 THR 36 -1.133 -7.142 -3.601 141 HG23 THR 36 HG23 THR 36 0.519 -7.423 -3.042 142 H ILE 37 HN ILE 37 -0.059 -2.396 -3.352 143 HA ILE 37 HA ILE 37 -0.265 -2.707 -6.269 144 HB ILE 37 HB ILE 37 -0.110 -0.113 -4.704 145 HG12 ILE 37 HG12 ILE 37 -2.295 0.361 -5.931 146 HG13 ILE 37 HG11 ILE 37 -2.330 -1.356 -6.335 147 HG21 ILE 37 HG21 ILE 37 -0.106 -0.602 -7.678 148 HG22 ILE 37 HG22 ILE 37 1.187 0.111 -6.713 149 HG23 ILE 37 HG23 ILE 37 -0.335 0.976 -6.927 150 HD11 ILE 37 HD11 ILE 37 -2.417 -1.921 -3.975 151 HD12 ILE 37 HD12 ILE 37 -3.728 -0.831 -4.414 152 HD13 ILE 37 HD13 ILE 37 -2.323 -0.212 -3.551 153 H ARG 38 HN ARG 38 1.596 -2.788 -7.388 154 HA ARG 38 HA ARG 38 4.082 -2.882 -5.917 155 HB2 ARG 38 HB2 ARG 38 3.299 -4.395 -7.868 156 HB3 ARG 38 HB1 ARG 38 3.780 -3.060 -8.905 157 HG2 ARG 38 HG2 ARG 38 5.612 -4.499 -8.886 158 HG3 ARG 38 HG1 ARG 38 6.051 -3.209 -7.765 159 HD2 ARG 38 HD2 ARG 38 6.632 -5.391 -6.840 160 HD3 ARG 38 HD1 ARG 38 5.371 -4.614 -5.881 161 HE ARG 38 HE ARG 38 3.806 -6.081 -7.300 162 HH11 ARG 38 HH11 ARG 38 7.017 -7.025 -6.260 163 HH12 ARG 38 HH12 ARG 38 6.664 -8.728 -6.261 164 HH21 ARG 38 HH21 ARG 38 3.361 -8.312 -7.373 165 HH22 ARG 38 HH22 ARG 38 4.599 -9.459 -6.932 166 H LYS 39 HN LYS 39 4.764 -0.848 -5.325 167 HA LYS 39 HA LYS 39 5.420 0.979 -7.509 168 HB2 LYS 39 HB2 LYS 39 3.696 1.624 -5.140 169 HB3 LYS 39 HB1 LYS 39 4.640 2.882 -5.930 170 HG2 LYS 39 HG2 LYS 39 2.668 1.110 -7.360 171 HG3 LYS 39 HG1 LYS 39 2.279 2.706 -6.715 172 HD2 LYS 39 HD2 LYS 39 3.816 3.770 -8.188 173 HD3 LYS 39 HD1 LYS 39 4.521 2.228 -8.669 174 HE2 LYS 39 HE2 LYS 39 1.624 2.817 -9.162 175 HE3 LYS 39 HE1 LYS 39 2.865 3.400 -10.269 176 HZ1 LYS 39 HZ1 LYS 39 2.268 0.576 -9.572 177 HZ2 LYS 39 HZ2 LYS 39 3.631 1.052 -10.452 178 HZ3 LYS 39 HZ3 LYS 39 2.082 1.326 -11.079 179 H LYS 40 HN LYS 40 7.041 2.510 -7.015 180 HA LYS 40 HA LYS 40 9.166 1.375 -5.539 181 HB2 LYS 40 HB2 LYS 40 8.901 4.151 -6.703 182 HB3 LYS 40 HB1 LYS 40 10.398 3.412 -6.151 183 HG2 LYS 40 HG2 LYS 40 10.165 1.675 -7.862 184 HG3 LYS 40 HG1 LYS 40 8.686 2.452 -8.432 185 HD2 LYS 40 HD2 LYS 40 10.598 3.071 -9.818 186 HD3 LYS 40 HD1 LYS 40 9.950 4.474 -8.963 187 HE2 LYS 40 HE2 LYS 40 11.718 4.316 -7.309 188 HE3 LYS 40 HE1 LYS 40 12.335 2.853 -8.078 189 HZ1 LYS 40 HZ1 LYS 40 12.196 5.520 -9.382 190 HZ2 LYS 40 HZ2 LYS 40 12.892 4.113 -10.027 191 HZ3 LYS 40 HZ3 LYS 40 13.589 4.863 -8.671 192 H ALA 41 HN ALA 41 10.329 2.253 -3.782 193 HA ALA 41 HA ALA 41 8.726 3.219 -1.644 194 HB1 ALA 41 HB1 ALA 41 10.807 3.293 -0.376 195 HB2 ALA 41 HB2 ALA 41 11.736 3.080 -1.860 196 HB3 ALA 41 HB3 ALA 41 10.687 1.786 -1.282 197 H GLY 42 HN GLY 42 8.642 5.257 -0.720 198 HA2 GLY 42 HA2 GLY 42 9.105 7.551 -0.537 199 HA3 GLY 42 HA1 GLY 42 10.099 7.440 -1.983 200 H TRP 43 HN TRP 43 7.933 5.975 -3.395 201 HA TRP 43 HA TRP 43 6.535 8.290 -4.376 202 HB2 TRP 43 HB2 TRP 43 6.684 5.411 -5.207 203 HB3 TRP 43 HB1 TRP 43 5.441 6.463 -5.874 204 HD1 TRP 43 HD1 TRP 43 9.286 6.113 -5.769 205 HE1 TRP 43 HE1 TRP 43 10.252 7.333 -7.823 206 HE3 TRP 43 HE3 TRP 43 4.980 8.193 -7.577 207 HZ2 TRP 43 HZ2 TRP 43 9.311 8.963 -9.920 208 HZ3 TRP 43 HZ3 TRP 43 5.102 9.573 -9.608 209 HH2 TRP 43 HH2 TRP 43 7.226 9.949 -10.754 210 H ALA 44 HN ALA 44 4.485 8.854 -4.018 211 HA ALA 44 HA ALA 44 3.006 7.552 -1.938 212 HB1 ALA 44 HB1 ALA 44 2.984 9.971 -2.125 213 HB2 ALA 44 HB2 ALA 44 1.357 9.330 -2.339 214 HB3 ALA 44 HB3 ALA 44 2.284 9.861 -3.740 215 H VAL 45 HN VAL 45 1.606 5.914 -2.253 216 HA VAL 45 HA VAL 45 0.584 5.485 -4.983 217 HB VAL 45 HB VAL 45 2.107 3.707 -4.068 218 HG11 VAL 45 HG11 VAL 45 -0.185 3.154 -2.199 219 HG12 VAL 45 HG12 VAL 45 1.387 3.805 -1.733 220 HG13 VAL 45 HG13 VAL 45 1.266 2.171 -2.391 221 HG21 VAL 45 HG21 VAL 45 0.671 1.826 -4.751 222 HG22 VAL 45 HG22 VAL 45 0.582 3.195 -5.860 223 HG23 VAL 45 HG23 VAL 45 -0.723 2.906 -4.711 224 H ARG 46 HN ARG 46 -1.596 4.885 -5.227 225 HA ARG 46 HA ARG 46 -3.280 6.048 -3.177 226 HB2 ARG 46 HB2 ARG 46 -4.889 6.366 -4.798 227 HB3 ARG 46 HB1 ARG 46 -3.424 6.444 -5.757 228 HG2 ARG 46 HG2 ARG 46 -5.195 4.019 -5.494 229 HG3 ARG 46 HG1 ARG 46 -5.214 5.155 -6.839 230 HD2 ARG 46 HD2 ARG 46 -2.851 4.569 -7.312 231 HD3 ARG 46 HD1 ARG 46 -2.919 3.368 -6.016 232 HE ARG 46 HE ARG 46 -5.029 2.789 -7.693 233 HH11 ARG 46 HH11 ARG 46 -1.556 3.067 -8.070 234 HH12 ARG 46 HH12 ARG 46 -1.453 1.771 -9.229 235 HH21 ARG 46 HH21 ARG 46 -4.899 1.094 -9.196 236 HH22 ARG 46 HH22 ARG 46 -3.366 0.658 -9.875 237 H PHE 47 HN PHE 47 -4.772 4.990 -1.973 238 HA PHE 47 HA PHE 47 -5.245 2.158 -2.591 239 HB2 PHE 47 HB2 PHE 47 -4.918 3.436 0.127 240 HB3 PHE 47 HB1 PHE 47 -5.576 1.822 -0.119 241 HD1 PHE 47 HD2 PHE 47 -4.044 0.271 -1.633 242 HD2 PHE 47 HD1 PHE 47 -2.693 3.619 0.614 243 HE1 PHE 47 HE2 PHE 47 -1.776 -0.674 -1.596 244 HE2 PHE 47 HE1 PHE 47 -0.423 2.679 0.649 245 HZ PHE 47 HZ PHE 47 0.034 0.530 -0.452 246 H TYR 48 HN TYR 48 -7.334 1.484 -2.457 247 HA TYR 48 HA TYR 48 -9.431 3.320 -1.687 248 HB2 TYR 48 HB2 TYR 48 -10.434 3.273 -3.993 249 HB3 TYR 48 HB1 TYR 48 -8.934 4.187 -3.887 250 HD1 TYR 48 HD1 TYR 48 -6.796 3.105 -4.722 251 HD2 TYR 48 HD2 TYR 48 -10.645 1.461 -5.471 252 HE1 TYR 48 HE1 TYR 48 -5.854 1.764 -6.554 253 HE2 TYR 48 HE2 TYR 48 -9.711 0.100 -7.300 254 HH TYR 48 HH TYR 48 -7.816 0.088 -8.808 255 H GLU 49 HN GLU 49 -11.548 2.305 -1.819 256 HA GLU 49 HA GLU 49 -11.369 -0.630 -1.869 257 HB2 GLU 49 HB2 GLU 49 -13.459 -0.653 -0.575 258 HB3 GLU 49 HB1 GLU 49 -12.196 0.247 0.257 259 HG2 GLU 49 HG2 GLU 49 -13.212 2.333 -0.320 260 HG3 GLU 49 HG1 GLU 49 -14.365 1.527 -1.383 261 H GLU 50 HN GLU 50 -12.533 -1.783 -3.296 262 HA GLU 50 HA GLU 50 -14.410 -0.291 -4.989 263 HB2 GLU 50 HB2 GLU 50 -12.799 -2.769 -5.613 264 HB3 GLU 50 HB1 GLU 50 -14.077 -2.149 -6.648 265 HG2 GLU 50 HG2 GLU 50 -12.707 0.054 -6.566 266 HG3 GLU 50 HG1 GLU 50 -11.387 -1.005 -6.068 267 H LYS 51 HN LYS 51 -16.287 -0.534 -3.951 268 HA LYS 51 HA LYS 51 -17.238 -3.204 -3.269 269 HB2 LYS 51 HB2 LYS 51 -18.550 -0.486 -3.102 270 HB3 LYS 51 HB1 LYS 51 -19.342 -1.979 -2.651 271 HG2 LYS 51 HG2 LYS 51 -16.822 -0.983 -1.322 272 HG3 LYS 51 HG1 LYS 51 -18.448 -0.624 -0.756 273 HD2 LYS 51 HD2 LYS 51 -18.854 -3.075 -0.598 274 HD3 LYS 51 HD1 LYS 51 -17.147 -3.327 -0.989 275 HE2 LYS 51 HE2 LYS 51 -17.966 -1.503 1.208 276 HE3 LYS 51 HE1 LYS 51 -17.862 -3.241 1.499 277 HZ1 LYS 51 HZ1 LYS 51 -15.531 -3.097 0.709 278 HZ2 LYS 51 HZ2 LYS 51 -15.824 -2.209 2.124 279 HZ3 LYS 51 HZ3 LYS 51 -15.691 -1.405 0.638 280 HA PRO 52 HA PRO 52 -18.944 -3.952 -7.261 281 HB2 PRO 52 HB2 PRO 52 -21.231 -5.312 -6.518 282 HB3 PRO 52 HB1 PRO 52 -19.627 -6.038 -6.640 283 HG2 PRO 52 HG2 PRO 52 -21.084 -5.055 -4.222 284 HG3 PRO 52 HG1 PRO 52 -20.062 -6.494 -4.411 285 HD2 PRO 52 HD2 PRO 52 -19.167 -4.258 -3.202 286 HD3 PRO 52 HD1 PRO 52 -18.102 -5.279 -4.196 287 H GLY 53 HN GLY 53 -19.764 -2.308 -8.372 288 HA2 GLY 53 HA2 GLY 53 -21.682 -1.211 -9.262 289 HA3 GLY 53 HA1 GLY 53 -22.470 -1.383 -7.699 290 H GLN 54 HN GLN 54 -19.724 -0.494 -6.569 291 HA GLN 54 HA GLN 54 -20.429 2.354 -6.641 292 HB2 GLN 54 HB2 GLN 54 -18.771 0.769 -4.675 293 HB3 GLN 54 HB1 GLN 54 -19.063 2.498 -4.570 294 HG2 GLN 54 HG2 GLN 54 -21.449 2.086 -4.300 295 HG3 GLN 54 HG1 GLN 54 -21.162 0.348 -4.428 296 HE21 GLN 54 HE21 GLN 54 -18.975 2.507 -2.791 297 HE22 GLN 54 HE22 GLN 54 -19.275 1.925 -1.189 298 HA PRO 55 HA PRO 55 -16.466 3.375 -8.528 299 HB2 PRO 55 HB2 PRO 55 -16.318 5.939 -7.707 300 HB3 PRO 55 HB1 PRO 55 -17.380 5.432 -9.025 301 HG2 PRO 55 HG2 PRO 55 -18.049 5.973 -6.156 302 HG3 PRO 55 HG1 PRO 55 -18.940 6.434 -7.619 303 HD2 PRO 55 HD2 PRO 55 -19.633 4.308 -6.083 304 HD3 PRO 55 HD1 PRO 55 -19.904 4.358 -7.837 305 H LYS 56 HN LYS 56 -14.351 3.814 -7.826 306 HA LYS 56 HA LYS 56 -13.708 2.532 -5.405 307 HB2 LYS 56 HB2 LYS 56 -11.920 4.285 -7.089 308 HB3 LYS 56 HB1 LYS 56 -11.411 3.048 -5.955 309 HG2 LYS 56 HG2 LYS 56 -11.814 1.367 -7.397 310 HG3 LYS 56 HG1 LYS 56 -13.211 2.171 -8.120 311 HD2 LYS 56 HD2 LYS 56 -11.860 3.525 -9.475 312 HD3 LYS 56 HD1 LYS 56 -10.400 3.139 -8.558 313 HE2 LYS 56 HE2 LYS 56 -10.441 1.988 -10.716 314 HE3 LYS 56 HE1 LYS 56 -10.482 0.848 -9.371 315 HZ1 LYS 56 HZ1 LYS 56 -12.896 1.748 -10.843 316 HZ2 LYS 56 HZ2 LYS 56 -12.792 0.489 -9.704 317 HZ3 LYS 56 HZ3 LYS 56 -12.035 0.333 -11.208 318 H ARG 57 HN ARG 57 -13.463 3.284 -3.392 319 HA ARG 57 HA ARG 57 -13.556 6.194 -2.998 320 HB2 ARG 57 HB2 ARG 57 -15.360 4.916 -1.927 321 HB3 ARG 57 HB1 ARG 57 -14.173 3.930 -1.086 322 HG2 ARG 57 HG2 ARG 57 -14.998 5.519 0.461 323 HG3 ARG 57 HG1 ARG 57 -13.357 6.009 0.028 324 HD2 ARG 57 HD2 ARG 57 -14.269 7.644 -1.551 325 HD3 ARG 57 HD1 ARG 57 -15.905 7.162 -1.103 326 HE ARG 57 HE ARG 57 -14.524 7.888 1.228 327 HH11 ARG 57 HH11 ARG 57 -15.843 9.360 -1.667 328 HH12 ARG 57 HH12 ARG 57 -16.051 10.917 -0.931 329 HH21 ARG 57 HH21 ARG 57 -14.784 9.942 2.193 330 HH22 ARG 57 HH22 ARG 57 -15.474 11.246 1.266 331 H LEU 58 HN LEU 58 -11.705 7.150 -2.489 332 HA LEU 58 HA LEU 58 -9.304 5.795 -2.013 333 HB2 LEU 58 HB2 LEU 58 -10.224 8.604 -1.878 334 HB3 LEU 58 HB1 LEU 58 -8.771 8.219 -0.973 335 HG LEU 58 HG LEU 58 -9.009 7.461 -3.869 336 HD11 LEU 58 HD11 LEU 58 -7.887 9.582 -4.419 337 HD12 LEU 58 HD12 LEU 58 -8.101 10.111 -2.749 338 HD13 LEU 58 HD13 LEU 58 -9.509 9.836 -3.774 339 HD21 LEU 58 HD21 LEU 58 -6.651 7.385 -3.791 340 HD22 LEU 58 HD22 LEU 58 -7.188 6.599 -2.302 341 HD23 LEU 58 HD23 LEU 58 -6.596 8.259 -2.263 342 H VAL 59 HN VAL 59 -8.743 4.666 -0.307 343 HA VAL 59 HA VAL 59 -10.027 5.253 2.250 344 HB VAL 59 HB VAL 59 -9.263 3.082 3.020 345 HG11 VAL 59 HG11 VAL 59 -10.477 2.818 0.273 346 HG12 VAL 59 HG12 VAL 59 -11.368 3.286 1.719 347 HG13 VAL 59 HG13 VAL 59 -10.629 1.687 1.618 348 HG21 VAL 59 HG21 VAL 59 -8.027 1.552 1.634 349 HG22 VAL 59 HG22 VAL 59 -7.124 3.066 1.760 350 HG23 VAL 59 HG23 VAL 59 -8.032 2.697 0.293 351 H ALA 60 HN ALA 60 -6.979 5.426 0.631 352 HA ALA 60 HA ALA 60 -5.920 7.247 2.421 353 HB1 ALA 60 HB1 ALA 60 -4.117 5.943 3.496 354 HB2 ALA 60 HB2 ALA 60 -4.880 4.475 2.900 355 HB3 ALA 60 HB3 ALA 60 -5.729 5.495 4.052 356 H ILE 61 HN ILE 61 -4.122 8.192 1.602 357 HA ILE 61 HA ILE 61 -2.816 6.922 -0.686 358 HB ILE 61 HB ILE 61 -2.494 9.763 0.326 359 HG12 ILE 61 HG12 ILE 61 -3.693 10.225 -1.947 360 HG13 ILE 61 HG11 ILE 61 -4.283 8.577 -1.778 361 HG21 ILE 61 HG21 ILE 61 -1.519 10.030 -2.018 362 HG22 ILE 61 HG22 ILE 61 -1.432 8.266 -2.030 363 HG23 ILE 61 HG23 ILE 61 -0.543 9.181 -0.818 364 HD11 ILE 61 HD11 ILE 61 -4.786 10.917 0.033 365 HD12 ILE 61 HD12 ILE 61 -5.166 9.255 0.472 366 HD13 ILE 61 HD13 ILE 61 -5.956 10.000 -0.919 367 H CYS 62 HN CYS 62 -0.944 5.874 -0.269 368 HA CYS 62 HA CYS 62 0.464 6.614 2.208 369 HB2 CYS 62 HB2 CYS 62 -1.092 4.540 2.328 370 HB3 CYS 62 HB1 CYS 62 0.167 3.736 1.393 371 H LYS 63 HN LYS 63 2.676 6.184 2.277 372 HA LYS 63 HA LYS 63 3.960 5.241 -0.168 373 HB2 LYS 63 HB2 LYS 63 5.406 7.193 -0.323 374 HB3 LYS 63 HB1 LYS 63 3.724 7.684 -0.445 375 HG2 LYS 63 HG2 LYS 63 3.784 8.348 1.930 376 HG3 LYS 63 HG1 LYS 63 5.500 7.939 1.971 377 HD2 LYS 63 HD2 LYS 63 5.475 10.248 1.589 378 HD3 LYS 63 HD1 LYS 63 5.725 9.540 -0.009 379 HE2 LYS 63 HE2 LYS 63 3.331 9.767 -0.475 380 HE3 LYS 63 HE1 LYS 63 3.102 10.526 1.099 381 HZ1 LYS 63 HZ1 LYS 63 4.458 12.351 0.441 382 HZ2 LYS 63 HZ2 LYS 63 3.309 12.110 -0.784 383 HZ3 LYS 63 HZ3 LYS 63 4.905 11.585 -1.004 384 H ASN 64 HN ASN 64 6.340 4.927 0.197 385 HA ASN 64 HA ASN 64 6.689 3.770 2.834 386 HB2 ASN 64 HB2 ASN 64 7.357 2.442 0.888 387 HB3 ASN 64 HB1 ASN 64 8.491 3.699 0.404 388 HD21 ASN 64 HD21 ASN 64 10.428 3.914 1.474 389 HD22 ASN 64 HD22 ASN 64 11.020 2.707 2.576 390 H ALA 65 HN ALA 65 8.029 4.492 4.384 391 HA ALA 65 HA ALA 65 8.446 7.138 4.767 392 HB1 ALA 65 HB1 ALA 65 10.244 4.979 5.847 393 HB2 ALA 65 HB2 ALA 65 8.657 5.401 6.493 394 HB3 ALA 65 HB3 ALA 65 9.970 6.576 6.546 395 H SER 66 HN SER 66 11.006 4.931 3.654 396 HA SER 66 HA SER 66 12.661 7.215 2.932 397 HB2 SER 66 HB2 SER 66 13.788 5.431 4.128 398 HB3 SER 66 HB1 SER 66 13.216 4.236 2.963 399 HG SER 66 HG SER 66 15.243 6.164 2.722 400 HA PRO 67 HA PRO 67 11.611 6.709 -1.397 401 HB2 PRO 67 HB2 PRO 67 13.402 8.430 -2.416 402 HB3 PRO 67 HB1 PRO 67 11.981 8.988 -1.525 403 HG2 PRO 67 HG2 PRO 67 14.811 8.707 -0.593 404 HG3 PRO 67 HG1 PRO 67 13.655 10.018 -0.288 405 HD2 PRO 67 HD2 PRO 67 14.196 8.010 1.498 406 HD3 PRO 67 HD1 PRO 67 12.660 8.896 1.441 407 H VAL 68 HN VAL 68 14.342 5.664 0.214 408 HA VAL 68 HA VAL 68 15.570 4.561 -2.230 409 HB VAL 68 HB VAL 68 16.918 4.772 0.455 410 HG11 VAL 68 HG11 VAL 68 18.211 4.635 -2.243 411 HG12 VAL 68 HG12 VAL 68 17.663 3.180 -1.420 412 HG13 VAL 68 HG13 VAL 68 18.883 4.211 -0.667 413 HG21 VAL 68 HG21 VAL 68 18.064 6.765 -0.394 414 HG22 VAL 68 HG22 VAL 68 16.325 7.026 -0.271 415 HG23 VAL 68 HG23 VAL 68 17.063 6.722 -1.845 416 H HIS 69 HN HIS 69 15.463 3.684 1.230 417 HA HIS 69 HA HIS 69 15.247 0.871 0.436 418 HB2 HIS 69 HB2 HIS 69 15.638 2.009 3.209 419 HB3 HIS 69 HB1 HIS 69 15.774 0.324 2.744 420 HD1 HIS 69 HD1 HIS 69 17.803 3.207 3.392 421 HD2 HIS 69 HD2 HIS 69 18.029 -0.055 0.815 422 HE1 HIS 69 HE1 HIS 69 20.209 3.071 2.676 423 HE2 HIS 69 HE2 HIS 69 20.326 1.112 1.096 424 H CYS 70 HN CYS 70 13.733 -0.504 1.651 425 HA CYS 70 HA CYS 70 11.175 0.866 2.000 426 HB2 CYS 70 HB2 CYS 70 10.314 -1.558 1.947 427 HB3 CYS 70 HB1 CYS 70 10.947 -0.882 0.449 428 HG CYS 70 HG CYS 70 12.819 -2.868 2.522 429 H ASN 71 HN ASN 71 10.402 1.230 3.956 430 HA ASN 71 HA ASN 71 11.413 -0.407 6.193 431 HB2 ASN 71 HB2 ASN 71 10.661 2.524 6.354 432 HB3 ASN 71 HB1 ASN 71 11.302 1.533 7.655 433 HD21 ASN 71 HD21 ASN 71 12.292 4.017 6.588 434 HD22 ASN 71 HD22 ASN 71 13.912 3.719 6.036 435 H TYR 72 HN TYR 72 9.070 2.174 6.348 436 HA TYR 72 HA TYR 72 6.905 0.218 6.688 437 HB2 TYR 72 HB2 TYR 72 7.223 2.748 8.319 438 HB3 TYR 72 HB1 TYR 72 5.969 1.531 8.499 439 HD1 TYR 72 HD1 TYR 72 7.220 -0.979 8.672 440 HD2 TYR 72 HD2 TYR 72 8.678 2.755 10.088 441 HE1 TYR 72 HE1 TYR 72 8.587 -2.156 10.343 442 HE2 TYR 72 HE2 TYR 72 10.053 1.590 11.759 443 HH TYR 72 HH TYR 72 9.874 -0.726 12.987 444 H LEU 73 HN LEU 73 4.736 1.449 6.620 445 HA LEU 73 HA LEU 73 4.863 3.184 4.257 446 HB2 LEU 73 HB2 LEU 73 2.686 1.394 5.316 447 HB3 LEU 73 HB1 LEU 73 2.420 2.553 4.031 448 HG LEU 73 HG LEU 73 4.242 0.152 3.956 449 HD11 LEU 73 HD11 LEU 73 2.747 -0.487 2.072 450 HD12 LEU 73 HD12 LEU 73 1.705 0.877 2.495 451 HD13 LEU 73 HD13 LEU 73 1.946 -0.443 3.643 452 HD21 LEU 73 HD21 LEU 73 5.412 1.804 2.762 453 HD22 LEU 73 HD22 LEU 73 3.937 2.463 2.064 454 HD23 LEU 73 HD23 LEU 73 4.535 0.888 1.531 455 H LYS 74 HN LYS 74 4.505 5.238 4.518 456 HA LYS 74 HA LYS 74 3.131 6.209 6.922 457 HB2 LYS 74 HB2 LYS 74 4.576 7.807 4.794 458 HB3 LYS 74 HB1 LYS 74 4.059 8.376 6.371 459 HG2 LYS 74 HG2 LYS 74 6.125 6.225 5.993 460 HG3 LYS 74 HG1 LYS 74 6.517 7.938 6.105 461 HD2 LYS 74 HD2 LYS 74 6.827 7.153 8.279 462 HD3 LYS 74 HD1 LYS 74 5.222 7.881 8.325 463 HE2 LYS 74 HE2 LYS 74 4.199 5.694 8.099 464 HE3 LYS 74 HE1 LYS 74 5.788 4.943 7.963 465 HZ1 LYS 74 HZ1 LYS 74 6.289 5.644 10.207 466 HZ2 LYS 74 HZ2 LYS 74 4.860 4.734 10.196 467 HZ3 LYS 74 HZ3 LYS 74 4.787 6.420 10.338 468 H CYS 75 HN CYS 75 0.975 6.220 6.614 469 HA CYS 75 HA CYS 75 -0.058 6.850 3.943 470 HB2 CYS 75 HB2 CYS 75 -1.566 5.744 6.310 471 HB3 CYS 75 HB1 CYS 75 -2.099 5.793 4.636 472 H THR 76 HN THR 76 -1.720 8.345 3.625 473 HA THR 76 HA THR 76 -2.463 10.000 5.928 474 HB THR 76 HB THR 76 -0.786 11.236 4.563 475 HG1 THR 76 HG1 THR 76 -2.200 13.116 4.220 476 HG21 THR 76 HG21 THR 76 -2.877 11.110 2.388 477 HG22 THR 76 HG22 THR 76 -1.329 10.261 2.370 478 HG23 THR 76 HG23 THR 76 -1.370 12.024 2.331 479 H ASN 77 HN ASN 77 -4.525 11.102 5.626 480 HA ASN 77 HA ASN 77 -6.752 11.076 5.207 481 HB2 ASN 77 HB2 ASN 77 -5.719 10.318 2.475 482 HB3 ASN 77 HB1 ASN 77 -7.430 10.567 2.800 483 HD21 ASN 77 HD21 ASN 77 -5.506 12.022 1.084 484 HD22 ASN 77 HD22 ASN 77 -5.618 13.673 1.583 485 H LEU 78 HN LEU 78 -5.972 8.935 6.611 486 HA LEU 78 HA LEU 78 -6.711 6.425 5.537 487 HB2 LEU 78 HB2 LEU 78 -6.687 7.388 8.405 488 HB3 LEU 78 HB1 LEU 78 -6.856 5.715 7.912 489 HG LEU 78 HG LEU 78 -4.434 7.448 7.418 490 HD11 LEU 78 HD11 LEU 78 -4.870 5.158 9.326 491 HD12 LEU 78 HD12 LEU 78 -4.698 6.857 9.765 492 HD13 LEU 78 HD13 LEU 78 -3.341 5.991 9.043 493 HD21 LEU 78 HD21 LEU 78 -4.641 5.871 5.640 494 HD22 LEU 78 HD22 LEU 78 -5.024 4.571 6.766 495 HD23 LEU 78 HD23 LEU 78 -3.405 5.272 6.748 496 H ALA 79 HN ALA 79 -8.636 5.325 5.570 497 HA ALA 79 HA ALA 79 -10.997 7.006 5.975 498 HB1 ALA 79 HB1 ALA 79 -12.196 5.320 4.642 499 HB2 ALA 79 HB2 ALA 79 -10.711 4.374 4.514 500 HB3 ALA 79 HB3 ALA 79 -10.801 5.979 3.789 501 H ALA 80 HN ALA 80 -10.796 6.827 8.278 502 HA ALA 80 HA ALA 80 -11.666 6.164 10.255 503 HB1 ALA 80 HB1 ALA 80 -13.485 4.583 10.340 504 HB2 ALA 80 HB2 ALA 80 -13.127 4.033 8.703 505 HB3 ALA 80 HB3 ALA 80 -13.708 5.677 8.975 506 H GLY 81 HN GLY 81 -11.548 2.950 8.763 507 HA2 GLY 81 HA2 GLY 81 -9.426 2.252 10.698 508 HA3 GLY 81 HA1 GLY 81 -10.715 1.146 10.242 509 H PHE 82 HN PHE 82 -10.281 2.491 7.437 510 HA PHE 82 HA PHE 82 -8.693 0.357 6.417 511 HB2 PHE 82 HB2 PHE 82 -9.684 2.865 5.048 512 HB3 PHE 82 HB1 PHE 82 -8.963 1.479 4.237 513 HD1 PHE 82 HD2 PHE 82 -10.140 -0.840 5.052 514 HD2 PHE 82 HD1 PHE 82 -11.965 3.000 4.894 515 HE1 PHE 82 HE2 PHE 82 -12.348 -1.903 4.875 516 HE2 PHE 82 HE1 PHE 82 -14.179 1.939 4.724 517 HZ PHE 82 HZ PHE 82 -14.374 -0.515 4.710 518 H SER 83 HN SER 83 -6.586 0.240 6.391 519 HA SER 83 HA SER 83 -4.945 2.579 5.925 520 HB2 SER 83 HB2 SER 83 -3.541 1.849 8.013 521 HB3 SER 83 HB1 SER 83 -4.956 2.877 8.236 522 HG SER 83 HG SER 83 -6.149 0.960 8.727 523 H ALA 84 HN ALA 84 -2.553 1.826 5.989 524 HA ALA 84 HA ALA 84 -2.485 -0.589 4.352 525 HB1 ALA 84 HB1 ALA 84 -0.244 0.149 3.702 526 HB2 ALA 84 HB2 ALA 84 -0.354 1.495 4.838 527 HB3 ALA 84 HB3 ALA 84 -1.440 1.420 3.450 528 H GLY 85 HN GLY 85 -0.555 -2.031 4.621 529 HA2 GLY 85 HA2 GLY 85 -0.285 -2.581 7.508 530 HA3 GLY 85 HA1 GLY 85 -0.360 -3.818 6.265 531 H THR 86 HN THR 86 1.473 -3.387 4.503 532 HA THR 86 HA THR 86 3.974 -2.432 5.375 533 HB THR 86 HB THR 86 3.726 -4.285 7.025 534 HG1 THR 86 HG1 THR 86 5.802 -4.888 6.814 535 HG21 THR 86 HG21 THR 86 2.419 -5.850 5.707 536 HG22 THR 86 HG22 THR 86 3.917 -6.618 6.227 537 HG23 THR 86 HG23 THR 86 3.752 -6.043 4.569 538 H SER 87 HN SER 87 5.740 -4.031 4.077 539 HA SER 87 HA SER 87 4.612 -4.500 1.395 540 HB2 SER 87 HB2 SER 87 7.275 -3.172 1.979 541 HB3 SER 87 HB1 SER 87 6.602 -3.500 0.382 542 HG SER 87 HG SER 87 5.198 -1.938 2.258 543 H THR 88 HN THR 88 5.519 -6.257 0.272 544 HA THR 88 HA THR 88 7.562 -7.841 1.662 545 HB THR 88 HB THR 88 6.210 -9.892 1.318 546 HG1 THR 88 HG1 THR 88 4.462 -9.663 0.141 547 HG21 THR 88 HG21 THR 88 5.059 -7.774 3.131 548 HG22 THR 88 HG22 THR 88 6.296 -8.966 3.534 549 HG23 THR 88 HG23 THR 88 4.639 -9.484 3.218 550 H ASP 89 HN ASP 89 7.350 -10.129 0.169 551 HA ASP 89 HA ASP 89 7.740 -11.191 -1.775 552 HB2 ASP 89 HB2 ASP 89 5.595 -10.206 -2.455 553 HB3 ASP 89 HB1 ASP 89 6.440 -8.786 -3.061 554 H VAL 90 HN VAL 90 8.158 -7.924 -3.083 555 HA VAL 90 HA VAL 90 10.450 -8.645 -4.523 556 HB VAL 90 HB VAL 90 10.755 -6.018 -4.531 557 HG11 VAL 90 HG11 VAL 90 9.176 -5.887 -6.378 558 HG12 VAL 90 HG12 VAL 90 8.421 -7.393 -5.857 559 HG13 VAL 90 HG13 VAL 90 10.083 -7.399 -6.446 560 HG21 VAL 90 HG21 VAL 90 7.981 -6.450 -3.448 561 HG22 VAL 90 HG22 VAL 90 8.487 -4.974 -4.258 562 HG23 VAL 90 HG23 VAL 90 9.272 -5.463 -2.760 563 H LEU 91 HN LEU 91 10.026 -7.093 -1.391 564 HA LEU 91 HA LEU 91 12.890 -6.808 -1.098 565 HB2 LEU 91 HB2 LEU 91 12.400 -5.734 1.034 566 HB3 LEU 91 HB1 LEU 91 11.524 -5.004 -0.293 567 HG LEU 91 HG LEU 91 9.682 -6.784 0.642 568 HD11 LEU 91 HD11 LEU 91 11.198 -5.737 3.026 569 HD12 LEU 91 HD12 LEU 91 11.065 -7.425 2.532 570 HD13 LEU 91 HD13 LEU 91 9.633 -6.551 3.074 571 HD21 LEU 91 HD21 LEU 91 8.588 -4.846 1.609 572 HD22 LEU 91 HD22 LEU 91 9.331 -4.436 0.064 573 HD23 LEU 91 HD23 LEU 91 10.107 -3.951 1.571 574 H SER 92 HN SER 92 10.305 -8.860 0.251 575 HA SER 92 HA SER 92 12.223 -10.156 2.004 576 HB2 SER 92 HB2 SER 92 9.386 -11.038 1.503 577 HB3 SER 92 HB1 SER 92 10.385 -11.335 2.923 578 HG SER 92 HG SER 92 10.140 -9.246 3.557 579 H SER 93 HN SER 93 9.810 -11.678 -0.123 580 HA SER 93 HA SER 93 11.776 -13.020 -1.709 581 HB2 SER 93 HB2 SER 93 11.928 -14.369 0.359 582 HB3 SER 93 HB1 SER 93 10.196 -14.690 0.270 583 HG SER 93 HG SER 93 11.671 -16.343 -0.627 584 H GLY 94 HN GLY 94 8.489 -13.799 -0.518 585 HA2 GLY 94 HA2 GLY 94 7.245 -12.933 -2.936 586 HA3 GLY 94 HA1 GLY 94 7.441 -14.680 -2.914 587 H THR 95 HN THR 95 5.089 -12.706 -2.672 588 HA THR 95 HA THR 95 3.807 -14.161 -0.467 589 HB THR 95 HB THR 95 2.525 -11.990 0.023 590 HG1 THR 95 HG1 THR 95 3.768 -11.027 -1.932 591 HG21 THR 95 HG21 THR 95 5.442 -12.160 0.765 592 HG22 THR 95 HG22 THR 95 4.127 -13.017 1.570 593 HG23 THR 95 HG23 THR 95 4.201 -11.255 1.630 594 H VAL 96 HN VAL 96 2.025 -15.130 -1.161 595 HA VAL 96 HA VAL 96 0.764 -14.260 -3.627 596 HB VAL 96 HB VAL 96 -0.751 -16.219 -3.271 597 HG11 VAL 96 HG11 VAL 96 0.966 -17.919 -3.739 598 HG12 VAL 96 HG12 VAL 96 2.213 -16.780 -3.227 599 HG13 VAL 96 HG13 VAL 96 1.232 -16.432 -4.649 600 HG21 VAL 96 HG21 VAL 96 1.047 -16.731 -0.901 601 HG22 VAL 96 HG22 VAL 96 -0.113 -17.882 -1.563 602 HG23 VAL 96 HG23 VAL 96 -0.678 -16.370 -0.853 603 H GLY 97 HN GLY 97 -1.043 -13.053 -3.754 604 HA2 GLY 97 HA2 GLY 97 -3.147 -12.958 -1.963 605 HA3 GLY 97 HA1 GLY 97 -1.993 -11.755 -1.407 606 H SER 98 HN SER 98 -1.086 -10.467 -3.490 607 HA SER 98 HA SER 98 -1.530 -8.860 -5.014 608 HB2 SER 98 HB2 SER 98 -2.247 -10.698 -6.467 609 HB3 SER 98 HB1 SER 98 -3.849 -10.683 -5.732 610 HG SER 98 HG SER 98 -4.000 -8.466 -6.505 Start of MODEL 18 1 H1 SER 19 HT1 SER 19 19.817 -0.808 -1.309 2 H2 SER 19 HT2 SER 19 21.227 -0.906 -2.246 3 H3 SER 19 HT3 SER 19 19.767 -1.523 -2.840 4 HA SER 19 HA SER 19 20.340 1.324 -2.288 5 HB2 SER 19 HB2 SER 19 20.137 1.507 -4.791 6 HB3 SER 19 HB1 SER 19 21.537 0.578 -4.255 7 HG SER 19 HG SER 19 19.366 -0.207 -5.721 8 H PHE 20 HN PHE 20 18.515 2.109 -4.374 9 HA PHE 20 HA PHE 20 16.047 2.237 -3.150 10 HB2 PHE 20 HB2 PHE 20 16.573 2.192 -6.129 11 HB3 PHE 20 HB1 PHE 20 15.110 2.783 -5.359 12 HD1 PHE 20 HD1 PHE 20 15.197 4.841 -3.987 13 HD2 PHE 20 HD2 PHE 20 18.494 3.540 -6.335 14 HE1 PHE 20 HE1 PHE 20 16.166 7.097 -3.864 15 HE2 PHE 20 HE2 PHE 20 19.475 5.794 -6.213 16 HZ PHE 20 HZ PHE 20 18.313 7.576 -4.977 17 H VAL 21 HN VAL 21 14.202 1.044 -3.203 18 HA VAL 21 HA VAL 21 14.205 -1.483 -4.649 19 HB VAL 21 HB VAL 21 15.123 -2.265 -2.646 20 HG11 VAL 21 HG11 VAL 21 13.118 -0.649 -1.089 21 HG12 VAL 21 HG12 VAL 21 14.782 -0.160 -1.406 22 HG13 VAL 21 HG13 VAL 21 14.454 -1.602 -0.441 23 HG21 VAL 21 HG21 VAL 21 13.208 -3.616 -3.302 24 HG22 VAL 21 HG22 VAL 21 12.136 -2.587 -2.353 25 HG23 VAL 21 HG23 VAL 21 13.357 -3.570 -1.545 26 H GLN 22 HN GLN 22 12.252 -2.032 -5.407 27 HA GLN 22 HA GLN 22 10.008 -0.285 -4.741 28 HB2 GLN 22 HB2 GLN 22 8.968 -1.295 -6.796 29 HB3 GLN 22 HB1 GLN 22 10.441 -0.385 -7.083 30 HG2 GLN 22 HG2 GLN 22 10.809 -2.204 -8.397 31 HG3 GLN 22 HG1 GLN 22 11.575 -2.734 -6.901 32 HE21 GLN 22 HE21 GLN 22 8.123 -2.553 -7.415 33 HE22 GLN 22 HE22 GLN 22 7.842 -4.261 -7.359 34 H CYS 23 HN CYS 23 7.964 -1.117 -4.133 35 HA CYS 23 HA CYS 23 7.846 -3.924 -3.367 36 HB2 CYS 23 HB2 CYS 23 7.358 -3.329 -0.994 37 HB3 CYS 23 HB1 CYS 23 9.010 -2.972 -1.484 38 HG CYS 23 HG CYS 23 8.849 -0.686 -0.336 39 H ASN 24 HN ASN 24 5.765 -4.673 -2.946 40 HA ASN 24 HA ASN 24 3.596 -3.042 -3.879 41 HB2 ASN 24 HB2 ASN 24 2.237 -5.078 -2.933 42 HB3 ASN 24 HB1 ASN 24 3.184 -5.261 -4.399 43 HD21 ASN 24 HD21 ASN 24 4.997 -6.532 -4.386 44 HD22 ASN 24 HD22 ASN 24 5.392 -7.594 -3.080 45 H HIS 25 HN HIS 25 2.698 -1.522 -2.708 46 HA HIS 25 HA HIS 25 2.969 -1.459 0.175 47 HB2 HIS 25 HB2 HIS 25 1.462 0.376 -1.702 48 HB3 HIS 25 HB1 HIS 25 1.688 0.662 0.014 49 HD1 HIS 25 HD1 HIS 25 4.678 -0.611 -1.761 50 HD2 HIS 25 HD2 HIS 25 3.015 3.066 -0.777 51 HE1 HIS 25 HE1 HIS 25 6.506 1.071 -2.104 52 HE2 HIS 25 HE2 HIS 25 5.392 3.301 -1.759 53 H HIS 26 HN HIS 26 1.583 -2.461 1.495 54 HA HIS 26 HA HIS 26 -0.822 -3.624 0.350 55 HB2 HIS 26 HB2 HIS 26 0.590 -3.988 2.987 56 HB3 HIS 26 HB1 HIS 26 -0.997 -4.683 2.680 57 HD1 HIS 26 HD1 HIS 26 -0.370 -7.121 2.632 58 HD2 HIS 26 HD2 HIS 26 1.990 -4.796 0.110 59 HE1 HIS 26 HE1 HIS 26 0.965 -8.746 1.257 60 HE2 HIS 26 HE2 HIS 26 2.505 -7.316 -0.135 61 H LEU 27 HN LEU 27 -2.833 -2.950 0.667 62 HA LEU 27 HA LEU 27 -3.349 -0.983 2.778 63 HB2 LEU 27 HB2 LEU 27 -4.190 -0.751 0.324 64 HB3 LEU 27 HB1 LEU 27 -5.368 -1.979 0.769 65 HG LEU 27 HG LEU 27 -6.290 0.305 0.884 66 HD11 LEU 27 HD11 LEU 27 -7.321 0.151 3.052 67 HD12 LEU 27 HD12 LEU 27 -6.034 -0.916 3.626 68 HD13 LEU 27 HD13 LEU 27 -7.155 -1.472 2.376 69 HD21 LEU 27 HD21 LEU 27 -4.215 1.465 1.488 70 HD22 LEU 27 HD22 LEU 27 -4.290 0.740 3.095 71 HD23 LEU 27 HD23 LEU 27 -5.545 1.864 2.574 72 H LEU 28 HN LEU 28 -4.221 -1.643 4.624 73 HA LEU 28 HA LEU 28 -5.122 -4.429 4.766 74 HB2 LEU 28 HB2 LEU 28 -3.289 -2.943 6.321 75 HB3 LEU 28 HB1 LEU 28 -4.681 -3.264 7.339 76 HG LEU 28 HG LEU 28 -3.047 -4.999 7.651 77 HD11 LEU 28 HD11 LEU 28 -4.368 -6.987 7.043 78 HD12 LEU 28 HD12 LEU 28 -5.407 -5.960 6.054 79 HD13 LEU 28 HD13 LEU 28 -5.332 -5.720 7.799 80 HD21 LEU 28 HD21 LEU 28 -1.791 -4.863 5.640 81 HD22 LEU 28 HD22 LEU 28 -3.195 -5.295 4.669 82 HD23 LEU 28 HD23 LEU 28 -2.457 -6.495 5.733 83 H TYR 29 HN TYR 29 -7.172 -4.767 5.027 84 HA TYR 29 HA TYR 29 -8.903 -2.647 6.063 85 HB2 TYR 29 HB2 TYR 29 -9.628 -3.746 3.979 86 HB3 TYR 29 HB1 TYR 29 -9.569 -5.315 4.772 87 HD1 TYR 29 HD2 TYR 29 -11.240 -1.988 5.043 88 HD2 TYR 29 HD1 TYR 29 -11.503 -6.180 5.725 89 HE1 TYR 29 HE2 TYR 29 -13.587 -1.725 5.728 90 HE2 TYR 29 HE1 TYR 29 -13.847 -5.926 6.418 91 HH TYR 29 HH TYR 29 -15.615 -3.050 5.894 92 H ASN 30 HN ASN 30 -10.166 -3.004 7.934 93 HA ASN 30 HA ASN 30 -8.985 -4.559 9.955 94 HB2 ASN 30 HB2 ASN 30 -10.438 -2.586 10.393 95 HB3 ASN 30 HB1 ASN 30 -11.830 -3.520 9.852 96 HD21 ASN 30 HD21 ASN 30 -12.667 -5.117 11.163 97 HD22 ASN 30 HD22 ASN 30 -12.221 -5.283 12.830 98 H GLY 31 HN GLY 31 -8.785 -6.681 9.637 99 HA2 GLY 31 HA2 GLY 31 -10.368 -8.696 10.021 100 HA3 GLY 31 HA1 GLY 31 -11.032 -8.166 8.481 101 H ARG 32 HN ARG 32 -8.871 -7.536 6.982 102 HA ARG 32 HA ARG 32 -6.743 -9.379 7.074 103 HB2 ARG 32 HB2 ARG 32 -8.866 -10.824 6.581 104 HB3 ARG 32 HB1 ARG 32 -8.713 -10.173 4.955 105 HG2 ARG 32 HG2 ARG 32 -7.645 -12.344 5.130 106 HG3 ARG 32 HG1 ARG 32 -6.451 -11.084 4.803 107 HD2 ARG 32 HD2 ARG 32 -5.840 -11.027 7.155 108 HD3 ARG 32 HD1 ARG 32 -7.069 -12.236 7.523 109 HE ARG 32 HE ARG 32 -5.505 -13.433 5.643 110 HH11 ARG 32 HH11 ARG 32 -4.826 -11.855 8.696 111 HH12 ARG 32 HH12 ARG 32 -3.506 -12.918 9.099 112 HH21 ARG 32 HH21 ARG 32 -3.801 -14.852 6.168 113 HH22 ARG 32 HH22 ARG 32 -2.943 -14.653 7.668 114 H HIS 33 HN HIS 33 -5.751 -9.632 4.755 115 HA HIS 33 HA HIS 33 -5.038 -7.233 3.629 116 HB2 HIS 33 HB2 HIS 33 -3.681 -9.021 3.064 117 HB3 HIS 33 HB1 HIS 33 -5.035 -10.086 2.751 118 HD1 HIS 33 HD1 HIS 33 -5.767 -10.387 0.398 119 HD2 HIS 33 HD2 HIS 33 -3.083 -7.230 0.806 120 HE1 HIS 33 HE1 HIS 33 -5.176 -9.698 -1.945 121 HE2 HIS 33 HE2 HIS 33 -3.504 -7.831 -1.694 122 H TRP 34 HN TRP 34 -6.029 -5.782 2.380 123 HA TRP 34 HA TRP 34 -8.518 -6.510 1.033 124 HB2 TRP 34 HB2 TRP 34 -8.362 -4.401 2.408 125 HB3 TRP 34 HB1 TRP 34 -7.213 -3.784 1.226 126 HD1 TRP 34 HD1 TRP 34 -10.901 -4.237 1.833 127 HE1 TRP 34 HE1 TRP 34 -12.241 -3.255 -0.140 128 HE3 TRP 34 HE3 TRP 34 -7.052 -3.393 -1.428 129 HZ2 TRP 34 HZ2 TRP 34 -11.730 -2.263 -2.719 130 HZ3 TRP 34 HZ3 TRP 34 -7.567 -2.424 -3.631 131 HH2 TRP 34 HH2 TRP 34 -9.857 -1.872 -4.261 132 H GLY 35 HN GLY 35 -5.496 -4.776 0.261 133 HA2 GLY 35 HA2 GLY 35 -5.094 -6.208 -2.171 134 HA3 GLY 35 HA1 GLY 35 -5.785 -4.620 -2.481 135 H THR 36 HN THR 36 -3.378 -5.019 -3.563 136 HA THR 36 HA THR 36 -1.809 -3.090 -2.122 137 HB THR 36 HB THR 36 -1.030 -5.130 -1.058 138 HG1 THR 36 HG1 THR 36 0.446 -3.340 -1.802 139 HG21 THR 36 HG21 THR 36 -0.250 -6.014 -3.822 140 HG22 THR 36 HG22 THR 36 -1.531 -6.717 -2.840 141 HG23 THR 36 HG23 THR 36 0.151 -6.847 -2.324 142 H ILE 37 HN ILE 37 -0.283 -2.035 -3.384 143 HA ILE 37 HA ILE 37 -0.405 -2.602 -6.266 144 HB ILE 37 HB ILE 37 -0.367 0.101 -4.902 145 HG12 ILE 37 HG12 ILE 37 -2.431 0.409 -6.438 146 HG13 ILE 37 HG11 ILE 37 -2.430 -1.350 -6.541 147 HG21 ILE 37 HG21 ILE 37 -0.369 1.066 -7.182 148 HG22 ILE 37 HG22 ILE 37 -0.070 -0.546 -7.830 149 HG23 ILE 37 HG23 ILE 37 1.120 0.214 -6.778 150 HD11 ILE 37 HD11 ILE 37 -2.643 -1.472 -4.101 151 HD12 ILE 37 HD12 ILE 37 -3.973 -0.590 -4.844 152 HD13 ILE 37 HD13 ILE 37 -2.681 0.289 -4.028 153 H ARG 38 HN ARG 38 1.529 -2.724 -7.302 154 HA ARG 38 HA ARG 38 3.939 -2.704 -5.739 155 HB2 ARG 38 HB2 ARG 38 3.273 -4.146 -7.841 156 HB3 ARG 38 HB1 ARG 38 3.934 -2.781 -8.731 157 HG2 ARG 38 HG2 ARG 38 5.726 -4.218 -8.546 158 HG3 ARG 38 HG1 ARG 38 5.995 -3.069 -7.236 159 HD2 ARG 38 HD2 ARG 38 6.390 -5.166 -6.268 160 HD3 ARG 38 HD1 ARG 38 4.759 -4.740 -5.750 161 HE ARG 38 HE ARG 38 5.506 -6.775 -7.733 162 HH11 ARG 38 HH11 ARG 38 2.964 -5.147 -5.927 163 HH12 ARG 38 HH12 ARG 38 1.772 -6.369 -6.244 164 HH21 ARG 38 HH21 ARG 38 3.944 -8.383 -8.144 165 HH22 ARG 38 HH22 ARG 38 2.345 -8.221 -7.485 166 H LYS 39 HN LYS 39 4.927 -0.857 -5.198 167 HA LYS 39 HA LYS 39 5.381 1.159 -7.268 168 HB2 LYS 39 HB2 LYS 39 3.322 1.670 -5.761 169 HB3 LYS 39 HB1 LYS 39 4.516 2.015 -4.516 170 HG2 LYS 39 HG2 LYS 39 3.824 4.051 -5.618 171 HG3 LYS 39 HG1 LYS 39 5.521 3.713 -5.966 172 HD2 LYS 39 HD2 LYS 39 4.414 4.429 -7.992 173 HD3 LYS 39 HD1 LYS 39 4.848 2.727 -8.131 174 HE2 LYS 39 HE2 LYS 39 2.540 2.094 -7.559 175 HE3 LYS 39 HE1 LYS 39 2.117 3.802 -7.429 176 HZ1 LYS 39 HZ1 LYS 39 2.861 2.282 -9.856 177 HZ2 LYS 39 HZ2 LYS 39 2.903 3.975 -9.811 178 HZ3 LYS 39 HZ3 LYS 39 1.439 3.159 -9.553 179 H LYS 40 HN LYS 40 7.269 2.494 -6.813 180 HA LYS 40 HA LYS 40 9.196 1.029 -5.256 181 HB2 LYS 40 HB2 LYS 40 10.094 1.661 -7.285 182 HB3 LYS 40 HB1 LYS 40 9.237 3.195 -7.308 183 HG2 LYS 40 HG2 LYS 40 10.727 4.152 -5.784 184 HG3 LYS 40 HG1 LYS 40 11.508 2.605 -5.438 185 HD2 LYS 40 HD2 LYS 40 11.551 4.096 -8.071 186 HD3 LYS 40 HD1 LYS 40 12.898 3.932 -6.941 187 HE2 LYS 40 HE2 LYS 40 12.882 1.505 -7.269 188 HE3 LYS 40 HE1 LYS 40 11.527 1.664 -8.385 189 HZ1 LYS 40 HZ1 LYS 40 13.433 1.483 -9.706 190 HZ2 LYS 40 HZ2 LYS 40 14.317 2.579 -8.765 191 HZ3 LYS 40 HZ3 LYS 40 13.042 3.135 -9.740 192 H ALA 41 HN ALA 41 10.412 1.897 -3.565 193 HA ALA 41 HA ALA 41 8.984 3.203 -1.594 194 HB1 ALA 41 HB1 ALA 41 11.049 3.319 -0.361 195 HB2 ALA 41 HB2 ALA 41 11.985 3.091 -1.838 196 HB3 ALA 41 HB3 ALA 41 10.968 1.785 -1.227 197 H GLY 42 HN GLY 42 8.828 5.269 -0.856 198 HA2 GLY 42 HA2 GLY 42 9.440 7.555 -0.718 199 HA3 GLY 42 HA1 GLY 42 10.319 7.378 -2.231 200 H TRP 43 HN TRP 43 8.257 6.102 -3.709 201 HA TRP 43 HA TRP 43 6.795 8.479 -4.426 202 HB2 TRP 43 HB2 TRP 43 6.725 5.712 -5.653 203 HB3 TRP 43 HB1 TRP 43 6.030 7.173 -6.355 204 HD1 TRP 43 HD1 TRP 43 8.915 5.117 -6.847 205 HE1 TRP 43 HE1 TRP 43 10.917 6.427 -7.815 206 HE3 TRP 43 HE3 TRP 43 7.311 9.877 -5.885 207 HZ2 TRP 43 HZ2 TRP 43 11.698 9.116 -8.125 208 HZ3 TRP 43 HZ3 TRP 43 8.751 11.760 -6.546 209 HH2 TRP 43 HH2 TRP 43 10.898 11.387 -7.640 210 H ALA 44 HN ALA 44 4.670 8.868 -4.207 211 HA ALA 44 HA ALA 44 3.268 7.411 -2.183 212 HB1 ALA 44 HB1 ALA 44 3.108 9.839 -2.331 213 HB2 ALA 44 HB2 ALA 44 1.521 9.094 -2.508 214 HB3 ALA 44 HB3 ALA 44 2.368 9.705 -3.925 215 H VAL 45 HN VAL 45 1.599 6.004 -2.415 216 HA VAL 45 HA VAL 45 0.747 5.375 -5.168 217 HB VAL 45 HB VAL 45 2.158 3.627 -4.014 218 HG11 VAL 45 HG11 VAL 45 -0.299 3.313 -2.301 219 HG12 VAL 45 HG12 VAL 45 1.285 3.869 -1.760 220 HG13 VAL 45 HG13 VAL 45 1.079 2.213 -2.335 221 HG21 VAL 45 HG21 VAL 45 0.786 1.761 -4.746 222 HG22 VAL 45 HG22 VAL 45 0.708 3.096 -5.896 223 HG23 VAL 45 HG23 VAL 45 -0.633 2.809 -4.786 224 H ARG 46 HN ARG 46 -1.464 4.827 -5.467 225 HA ARG 46 HA ARG 46 -3.168 6.164 -3.537 226 HB2 ARG 46 HB2 ARG 46 -4.642 6.547 -5.229 227 HB3 ARG 46 HB1 ARG 46 -3.193 6.324 -6.195 228 HG2 ARG 46 HG2 ARG 46 -5.185 4.132 -5.636 229 HG3 ARG 46 HG1 ARG 46 -5.239 5.173 -7.054 230 HD2 ARG 46 HD2 ARG 46 -3.068 4.351 -7.773 231 HD3 ARG 46 HD1 ARG 46 -2.936 3.367 -6.311 232 HE ARG 46 HE ARG 46 -5.197 2.427 -7.323 233 HH11 ARG 46 HH11 ARG 46 -2.187 3.136 -8.947 234 HH12 ARG 46 HH12 ARG 46 -2.388 1.891 -10.140 235 HH21 ARG 46 HH21 ARG 46 -5.471 0.782 -8.886 236 HH22 ARG 46 HH22 ARG 46 -4.249 0.548 -10.092 237 H PHE 47 HN PHE 47 -4.800 5.234 -2.388 238 HA PHE 47 HA PHE 47 -5.281 2.359 -2.794 239 HB2 PHE 47 HB2 PHE 47 -5.028 3.857 -0.182 240 HB3 PHE 47 HB1 PHE 47 -5.742 2.253 -0.307 241 HD1 PHE 47 HD2 PHE 47 -4.194 0.569 -1.720 242 HD2 PHE 47 HD1 PHE 47 -2.848 3.948 0.482 243 HE1 PHE 47 HE2 PHE 47 -1.969 -0.454 -1.520 244 HE2 PHE 47 HE1 PHE 47 -0.620 2.929 0.685 245 HZ PHE 47 HZ PHE 47 -0.179 0.726 -0.313 246 H TYR 48 HN TYR 48 -7.424 1.701 -2.564 247 HA TYR 48 HA TYR 48 -9.479 3.683 -2.058 248 HB2 TYR 48 HB2 TYR 48 -10.516 3.316 -4.314 249 HB3 TYR 48 HB1 TYR 48 -9.001 4.208 -4.359 250 HD1 TYR 48 HD1 TYR 48 -6.975 3.172 -5.262 251 HD2 TYR 48 HD2 TYR 48 -10.701 1.120 -5.302 252 HE1 TYR 48 HE1 TYR 48 -6.068 1.574 -6.889 253 HE2 TYR 48 HE2 TYR 48 -9.798 -0.492 -6.934 254 HH TYR 48 HH TYR 48 -8.028 -0.655 -8.583 255 H GLU 49 HN GLU 49 -11.568 2.781 -1.918 256 HA GLU 49 HA GLU 49 -11.604 -0.132 -1.583 257 HB2 GLU 49 HB2 GLU 49 -13.750 0.190 -0.419 258 HB3 GLU 49 HB1 GLU 49 -12.475 1.144 0.334 259 HG2 GLU 49 HG2 GLU 49 -13.307 3.151 -0.610 260 HG3 GLU 49 HG1 GLU 49 -14.405 2.273 -1.674 261 H GLU 50 HN GLU 50 -12.617 -1.372 -3.060 262 HA GLU 50 HA GLU 50 -14.508 -0.001 -4.828 263 HB2 GLU 50 HB2 GLU 50 -13.931 -1.658 -6.590 264 HB3 GLU 50 HB1 GLU 50 -12.637 -0.546 -6.184 265 HG2 GLU 50 HG2 GLU 50 -11.419 -2.205 -5.068 266 HG3 GLU 50 HG1 GLU 50 -12.801 -3.303 -5.023 267 H LYS 51 HN LYS 51 -16.333 -0.456 -3.930 268 HA LYS 51 HA LYS 51 -17.043 -3.147 -3.127 269 HB2 LYS 51 HB2 LYS 51 -18.777 -0.672 -3.345 270 HB3 LYS 51 HB1 LYS 51 -19.151 -2.146 -2.460 271 HG2 LYS 51 HG2 LYS 51 -16.823 -0.342 -1.802 272 HG3 LYS 51 HG1 LYS 51 -18.412 -0.227 -1.038 273 HD2 LYS 51 HD2 LYS 51 -18.198 -2.439 -0.131 274 HD3 LYS 51 HD1 LYS 51 -16.714 -2.718 -1.044 275 HE2 LYS 51 HE2 LYS 51 -16.325 -2.193 1.352 276 HE3 LYS 51 HE1 LYS 51 -15.540 -1.069 0.244 277 HZ1 LYS 51 HZ1 LYS 51 -17.061 0.597 0.731 278 HZ2 LYS 51 HZ2 LYS 51 -16.779 -0.115 2.244 279 HZ3 LYS 51 HZ3 LYS 51 -18.199 -0.478 1.391 280 HA PRO 52 HA PRO 52 -18.234 -4.632 -7.062 281 HB2 PRO 52 HB2 PRO 52 -20.744 -5.530 -5.710 282 HB3 PRO 52 HB1 PRO 52 -19.637 -6.442 -6.746 283 HG2 PRO 52 HG2 PRO 52 -19.571 -6.778 -4.116 284 HG3 PRO 52 HG1 PRO 52 -18.062 -6.705 -5.048 285 HD2 PRO 52 HD2 PRO 52 -19.311 -4.639 -3.292 286 HD3 PRO 52 HD1 PRO 52 -17.596 -5.018 -3.546 287 H GLY 53 HN GLY 53 -18.803 -3.225 -8.575 288 HA2 GLY 53 HA2 GLY 53 -20.418 -2.276 -10.000 289 HA3 GLY 53 HA1 GLY 53 -21.583 -2.347 -8.687 290 H GLN 54 HN GLN 54 -19.650 -1.081 -6.834 291 HA GLN 54 HA GLN 54 -20.562 1.609 -7.377 292 HB2 GLN 54 HB2 GLN 54 -18.999 0.500 -5.043 293 HB3 GLN 54 HB1 GLN 54 -19.739 2.092 -5.121 294 HG2 GLN 54 HG2 GLN 54 -21.942 1.083 -5.234 295 HG3 GLN 54 HG1 GLN 54 -21.217 -0.527 -5.211 296 HE21 GLN 54 HE21 GLN 54 -22.252 -1.110 -3.313 297 HE22 GLN 54 HE22 GLN 54 -21.803 -0.458 -1.770 298 HA PRO 55 HA PRO 55 -16.621 3.316 -8.700 299 HB2 PRO 55 HB2 PRO 55 -16.847 5.792 -7.591 300 HB3 PRO 55 HB1 PRO 55 -17.658 5.325 -9.088 301 HG2 PRO 55 HG2 PRO 55 -18.750 5.460 -6.304 302 HG3 PRO 55 HG1 PRO 55 -19.497 5.980 -7.826 303 HD2 PRO 55 HD2 PRO 55 -20.149 3.650 -6.641 304 HD3 PRO 55 HD1 PRO 55 -20.110 3.825 -8.407 305 H LYS 56 HN LYS 56 -14.628 4.031 -7.789 306 HA LYS 56 HA LYS 56 -14.282 2.659 -5.233 307 HB2 LYS 56 HB2 LYS 56 -12.203 3.455 -7.275 308 HB3 LYS 56 HB1 LYS 56 -12.005 2.320 -5.946 309 HG2 LYS 56 HG2 LYS 56 -13.234 0.671 -6.981 310 HG3 LYS 56 HG1 LYS 56 -14.125 1.816 -7.981 311 HD2 LYS 56 HD2 LYS 56 -12.048 2.258 -9.239 312 HD3 LYS 56 HD1 LYS 56 -11.245 0.991 -8.305 313 HE2 LYS 56 HE2 LYS 56 -13.605 0.673 -10.158 314 HE3 LYS 56 HE1 LYS 56 -11.961 0.117 -10.447 315 HZ1 LYS 56 HZ1 LYS 56 -12.203 -1.379 -8.526 316 HZ2 LYS 56 HZ2 LYS 56 -13.326 -1.710 -9.753 317 HZ3 LYS 56 HZ3 LYS 56 -13.820 -0.884 -8.361 318 H ARG 57 HN ARG 57 -13.690 3.671 -3.436 319 HA ARG 57 HA ARG 57 -13.412 6.585 -3.558 320 HB2 ARG 57 HB2 ARG 57 -15.109 5.425 -2.058 321 HB3 ARG 57 HB1 ARG 57 -13.747 4.848 -1.106 322 HG2 ARG 57 HG2 ARG 57 -13.180 7.464 -1.136 323 HG3 ARG 57 HG1 ARG 57 -14.939 7.541 -1.272 324 HD2 ARG 57 HD2 ARG 57 -13.266 6.355 0.917 325 HD3 ARG 57 HD1 ARG 57 -14.527 7.582 1.034 326 HE ARG 57 HE ARG 57 -14.923 4.689 0.697 327 HH11 ARG 57 HH11 ARG 57 -16.250 7.870 1.368 328 HH12 ARG 57 HH12 ARG 57 -17.792 7.245 1.870 329 HH21 ARG 57 HH21 ARG 57 -16.917 3.881 1.354 330 HH22 ARG 57 HH22 ARG 57 -18.174 4.969 1.872 331 H LEU 58 HN LEU 58 -11.452 7.482 -3.374 332 HA LEU 58 HA LEU 58 -9.087 6.088 -2.797 333 HB2 LEU 58 HB2 LEU 58 -9.777 8.592 -3.714 334 HB3 LEU 58 HB1 LEU 58 -9.093 8.949 -2.141 335 HG LEU 58 HG LEU 58 -7.663 7.381 -4.287 336 HD11 LEU 58 HD11 LEU 58 -6.305 9.523 -4.427 337 HD12 LEU 58 HD12 LEU 58 -7.655 10.294 -3.587 338 HD13 LEU 58 HD13 LEU 58 -7.909 9.540 -5.159 339 HD21 LEU 58 HD21 LEU 58 -5.690 7.764 -2.929 340 HD22 LEU 58 HD22 LEU 58 -6.922 6.916 -1.991 341 HD23 LEU 58 HD23 LEU 58 -6.653 8.642 -1.740 342 H VAL 59 HN VAL 59 -8.817 5.054 -0.897 343 HA VAL 59 HA VAL 59 -10.104 6.099 1.486 344 HB VAL 59 HB VAL 59 -9.504 3.996 2.561 345 HG11 VAL 59 HG11 VAL 59 -10.700 3.585 -0.171 346 HG12 VAL 59 HG12 VAL 59 -11.560 4.125 1.268 347 HG13 VAL 59 HG13 VAL 59 -10.871 2.504 1.214 348 HG21 VAL 59 HG21 VAL 59 -8.392 2.209 1.333 349 HG22 VAL 59 HG22 VAL 59 -7.348 3.624 1.476 350 HG23 VAL 59 HG23 VAL 59 -8.169 3.284 -0.049 351 H ALA 60 HN ALA 60 -6.949 6.028 0.119 352 HA ALA 60 HA ALA 60 -5.880 7.720 2.075 353 HB1 ALA 60 HB1 ALA 60 -4.253 6.216 3.154 354 HB2 ALA 60 HB2 ALA 60 -5.055 4.848 2.388 355 HB3 ALA 60 HB3 ALA 60 -5.923 5.828 3.562 356 H ILE 61 HN ILE 61 -3.923 8.544 1.488 357 HA ILE 61 HA ILE 61 -2.619 7.346 -0.862 358 HB ILE 61 HB ILE 61 -2.232 10.141 0.247 359 HG12 ILE 61 HG12 ILE 61 -3.335 10.698 -2.069 360 HG13 ILE 61 HG11 ILE 61 -4.016 9.081 -1.923 361 HG21 ILE 61 HG21 ILE 61 -1.294 8.917 -2.343 362 HG22 ILE 61 HG22 ILE 61 -0.294 9.181 -0.917 363 HG23 ILE 61 HG23 ILE 61 -0.975 10.561 -1.783 364 HD11 ILE 61 HD11 ILE 61 -4.422 11.423 -0.083 365 HD12 ILE 61 HD12 ILE 61 -4.936 9.780 0.291 366 HD13 ILE 61 HD13 ILE 61 -5.621 10.621 -1.101 367 H CYS 62 HN CYS 62 -0.778 6.250 -0.432 368 HA CYS 62 HA CYS 62 0.647 6.926 2.044 369 HB2 CYS 62 HB2 CYS 62 -1.003 5.003 2.329 370 HB3 CYS 62 HB1 CYS 62 0.055 4.072 1.272 371 H LYS 63 HN LYS 63 2.823 6.335 2.120 372 HA LYS 63 HA LYS 63 4.039 5.200 -0.267 373 HB2 LYS 63 HB2 LYS 63 5.600 7.042 -0.537 374 HB3 LYS 63 HB1 LYS 63 3.955 7.649 -0.661 375 HG2 LYS 63 HG2 LYS 63 4.102 8.388 1.701 376 HG3 LYS 63 HG1 LYS 63 5.796 7.896 1.706 377 HD2 LYS 63 HD2 LYS 63 5.892 10.181 1.226 378 HD3 LYS 63 HD1 LYS 63 6.017 9.410 -0.361 379 HE2 LYS 63 HE2 LYS 63 3.608 9.750 -0.696 380 HE3 LYS 63 HE1 LYS 63 3.514 10.570 0.862 381 HZ1 LYS 63 HZ1 LYS 63 5.108 11.459 -1.482 382 HZ2 LYS 63 HZ2 LYS 63 5.051 12.247 0.018 383 HZ3 LYS 63 HZ3 LYS 63 3.656 12.152 -0.945 384 H ASN 64 HN ASN 64 6.399 4.780 0.147 385 HA ASN 64 HA ASN 64 6.606 3.615 2.775 386 HB2 ASN 64 HB2 ASN 64 7.372 2.293 0.893 387 HB3 ASN 64 HB1 ASN 64 8.502 3.557 0.418 388 HD21 ASN 64 HD21 ASN 64 10.402 3.804 1.501 389 HD22 ASN 64 HD22 ASN 64 11.003 2.615 2.619 390 H ALA 65 HN ALA 65 7.967 4.166 4.382 391 HA ALA 65 HA ALA 65 8.402 6.748 5.021 392 HB1 ALA 65 HB1 ALA 65 10.213 4.486 5.840 393 HB2 ALA 65 HB2 ALA 65 8.650 4.851 6.565 394 HB3 ALA 65 HB3 ALA 65 9.976 6.006 6.702 395 H SER 66 HN SER 66 11.005 4.669 3.747 396 HA SER 66 HA SER 66 12.603 7.047 3.212 397 HB2 SER 66 HB2 SER 66 13.735 5.190 4.331 398 HB3 SER 66 HB1 SER 66 13.275 4.095 3.028 399 HG SER 66 HG SER 66 15.043 6.323 2.885 400 HA PRO 67 HA PRO 67 11.615 6.808 -1.153 401 HB2 PRO 67 HB2 PRO 67 13.425 8.602 -2.030 402 HB3 PRO 67 HB1 PRO 67 11.969 9.093 -1.157 403 HG2 PRO 67 HG2 PRO 67 14.768 8.777 -0.146 404 HG3 PRO 67 HG1 PRO 67 13.598 10.067 0.185 405 HD2 PRO 67 HD2 PRO 67 14.073 8.000 1.900 406 HD3 PRO 67 HD1 PRO 67 12.512 8.837 1.794 407 H VAL 68 HN VAL 68 14.271 5.624 0.429 408 HA VAL 68 HA VAL 68 15.529 4.660 -2.056 409 HB VAL 68 HB VAL 68 16.884 4.767 0.627 410 HG11 VAL 68 HG11 VAL 68 18.170 4.728 -2.080 411 HG12 VAL 68 HG12 VAL 68 17.632 3.247 -1.296 412 HG13 VAL 68 HG13 VAL 68 18.852 4.260 -0.519 413 HG21 VAL 68 HG21 VAL 68 18.040 6.786 -0.142 414 HG22 VAL 68 HG22 VAL 68 16.302 7.051 -0.003 415 HG23 VAL 68 HG23 VAL 68 17.033 6.811 -1.589 416 H HIS 69 HN HIS 69 15.333 3.657 1.372 417 HA HIS 69 HA HIS 69 15.194 0.870 0.460 418 HB2 HIS 69 HB2 HIS 69 15.626 1.939 3.261 419 HB3 HIS 69 HB1 HIS 69 15.706 0.255 2.781 420 HD1 HIS 69 HD1 HIS 69 17.917 -0.614 2.006 421 HD2 HIS 69 HD2 HIS 69 17.818 3.541 2.234 422 HE1 HIS 69 HE1 HIS 69 20.286 0.146 1.624 423 HE2 HIS 69 HE2 HIS 69 20.185 2.669 1.649 424 H CYS 70 HN CYS 70 13.724 -0.571 1.740 425 HA CYS 70 HA CYS 70 11.139 0.760 2.105 426 HB2 CYS 70 HB2 CYS 70 11.812 -2.152 1.643 427 HB3 CYS 70 HB1 CYS 70 10.186 -1.549 1.949 428 HG CYS 70 HG CYS 70 11.828 -0.084 -0.599 429 H ASN 71 HN ASN 71 10.332 1.042 4.062 430 HA ASN 71 HA ASN 71 11.421 -0.574 6.284 431 HB2 ASN 71 HB2 ASN 71 10.727 2.373 6.421 432 HB3 ASN 71 HB1 ASN 71 11.354 1.389 7.736 433 HD21 ASN 71 HD21 ASN 71 12.424 3.823 6.678 434 HD22 ASN 71 HD22 ASN 71 14.023 3.465 6.096 435 H TYR 72 HN TYR 72 9.060 2.017 6.229 436 HA TYR 72 HA TYR 72 6.866 0.140 6.691 437 HB2 TYR 72 HB2 TYR 72 7.384 2.605 8.375 438 HB3 TYR 72 HB1 TYR 72 5.976 1.566 8.495 439 HD1 TYR 72 HD2 TYR 72 6.254 -0.784 9.320 440 HD2 TYR 72 HD1 TYR 72 9.399 2.074 9.508 441 HE1 TYR 72 HE2 TYR 72 7.402 -2.169 10.997 442 HE2 TYR 72 HE1 TYR 72 10.550 0.705 11.194 443 HH TYR 72 HH TYR 72 10.001 -1.016 12.858 444 H LEU 73 HN LEU 73 4.740 1.538 6.691 445 HA LEU 73 HA LEU 73 4.971 3.280 4.335 446 HB2 LEU 73 HB2 LEU 73 2.674 1.643 5.384 447 HB3 LEU 73 HB1 LEU 73 2.483 2.851 4.128 448 HG LEU 73 HG LEU 73 4.081 0.299 3.981 449 HD11 LEU 73 HD11 LEU 73 2.551 -0.185 2.122 450 HD12 LEU 73 HD12 LEU 73 1.690 1.321 2.453 451 HD13 LEU 73 HD13 LEU 73 1.701 0.026 3.653 452 HD21 LEU 73 HD21 LEU 73 5.387 1.983 2.878 453 HD22 LEU 73 HD22 LEU 73 3.967 2.606 2.043 454 HD23 LEU 73 HD23 LEU 73 4.592 1.003 1.645 455 H LYS 74 HN LYS 74 4.578 5.348 4.479 456 HA LYS 74 HA LYS 74 3.210 6.388 6.866 457 HB2 LYS 74 HB2 LYS 74 5.321 7.499 5.066 458 HB3 LYS 74 HB1 LYS 74 4.187 8.623 5.800 459 HG2 LYS 74 HG2 LYS 74 6.207 8.444 7.126 460 HG3 LYS 74 HG1 LYS 74 4.819 7.828 8.020 461 HD2 LYS 74 HD2 LYS 74 5.484 5.531 7.393 462 HD3 LYS 74 HD1 LYS 74 6.913 6.190 6.593 463 HE2 LYS 74 HE2 LYS 74 7.520 5.405 8.789 464 HE3 LYS 74 HE1 LYS 74 7.631 7.163 8.742 465 HZ1 LYS 74 HZ1 LYS 74 6.591 6.446 10.774 466 HZ2 LYS 74 HZ2 LYS 74 5.415 5.573 9.924 467 HZ3 LYS 74 HZ3 LYS 74 5.446 7.267 9.826 468 H CYS 75 HN CYS 75 1.127 6.594 6.493 469 HA CYS 75 HA CYS 75 0.212 7.236 3.776 470 HB2 CYS 75 HB2 CYS 75 -1.478 6.129 6.004 471 HB3 CYS 75 HB1 CYS 75 -1.782 6.073 4.273 472 H THR 76 HN THR 76 -1.725 8.565 3.574 473 HA THR 76 HA THR 76 -2.437 10.157 5.905 474 HB THR 76 HB THR 76 -0.706 11.453 4.635 475 HG1 THR 76 HG1 THR 76 -3.036 12.930 4.235 476 HG21 THR 76 HG21 THR 76 -2.808 11.523 2.466 477 HG22 THR 76 HG22 THR 76 -1.271 10.662 2.377 478 HG23 THR 76 HG23 THR 76 -1.291 12.423 2.473 479 H ASN 77 HN ASN 77 -4.496 11.250 5.634 480 HA ASN 77 HA ASN 77 -6.692 11.332 5.084 481 HB2 ASN 77 HB2 ASN 77 -5.600 10.589 2.367 482 HB3 ASN 77 HB1 ASN 77 -7.302 10.924 2.654 483 HD21 ASN 77 HD21 ASN 77 -7.316 12.667 1.280 484 HD22 ASN 77 HD22 ASN 77 -6.545 14.169 1.665 485 H LEU 78 HN LEU 78 -5.996 9.081 6.428 486 HA LEU 78 HA LEU 78 -6.729 6.646 5.158 487 HB2 LEU 78 HB2 LEU 78 -6.734 7.383 8.091 488 HB3 LEU 78 HB1 LEU 78 -6.857 5.754 7.457 489 HG LEU 78 HG LEU 78 -4.471 7.568 7.104 490 HD11 LEU 78 HD11 LEU 78 -4.831 5.159 8.877 491 HD12 LEU 78 HD12 LEU 78 -4.763 6.834 9.425 492 HD13 LEU 78 HD13 LEU 78 -3.350 6.094 8.673 493 HD21 LEU 78 HD21 LEU 78 -4.638 6.067 5.255 494 HD22 LEU 78 HD22 LEU 78 -4.989 4.711 6.323 495 HD23 LEU 78 HD23 LEU 78 -3.388 5.453 6.339 496 H ALA 79 HN ALA 79 -8.663 5.450 5.326 497 HA ALA 79 HA ALA 79 -11.029 7.108 5.879 498 HB1 ALA 79 HB1 ALA 79 -12.238 5.658 4.337 499 HB2 ALA 79 HB2 ALA 79 -10.787 4.680 4.107 500 HB3 ALA 79 HB3 ALA 79 -10.814 6.359 3.567 501 H ALA 80 HN ALA 80 -10.492 6.463 8.165 502 HA ALA 80 HA ALA 80 -11.117 5.444 10.075 503 HB1 ALA 80 HB1 ALA 80 -13.318 4.471 10.169 504 HB2 ALA 80 HB2 ALA 80 -13.352 4.297 8.415 505 HB3 ALA 80 HB3 ALA 80 -13.342 5.905 9.142 506 H GLY 81 HN GLY 81 -12.491 2.743 8.322 507 HA2 GLY 81 HA2 GLY 81 -10.783 0.942 9.818 508 HA3 GLY 81 HA1 GLY 81 -12.115 0.489 8.765 509 H PHE 82 HN PHE 82 -10.510 2.539 6.911 510 HA PHE 82 HA PHE 82 -8.904 0.433 5.673 511 HB2 PHE 82 HB2 PHE 82 -9.860 3.096 4.611 512 HB3 PHE 82 HB1 PHE 82 -8.843 1.978 3.713 513 HD1 PHE 82 HD2 PHE 82 -9.739 -0.132 2.885 514 HD2 PHE 82 HD1 PHE 82 -12.190 2.672 4.938 515 HE1 PHE 82 HE2 PHE 82 -11.745 -1.294 2.062 516 HE2 PHE 82 HE1 PHE 82 -14.206 1.518 4.113 517 HZ PHE 82 HZ PHE 82 -13.984 -0.467 2.674 518 H SER 83 HN SER 83 -6.883 0.362 6.267 519 HA SER 83 HA SER 83 -5.300 2.824 6.257 520 HB2 SER 83 HB2 SER 83 -5.098 0.717 8.427 521 HB3 SER 83 HB1 SER 83 -4.144 2.193 8.307 522 HG SER 83 HG SER 83 -6.740 2.828 8.217 523 H ALA 84 HN ALA 84 -2.864 2.134 6.283 524 HA ALA 84 HA ALA 84 -2.700 -0.177 4.461 525 HB1 ALA 84 HB1 ALA 84 -0.760 0.848 3.460 526 HB2 ALA 84 HB2 ALA 84 -0.776 2.139 4.660 527 HB3 ALA 84 HB3 ALA 84 -2.083 2.015 3.482 528 H GLY 85 HN GLY 85 -0.705 -1.430 4.543 529 HA2 GLY 85 HA2 GLY 85 0.157 -1.710 7.356 530 HA3 GLY 85 HA1 GLY 85 -0.155 -3.078 6.298 531 H THR 86 HN THR 86 1.610 -4.031 5.599 532 HA THR 86 HA THR 86 4.107 -2.476 5.448 533 HB THR 86 HB THR 86 4.016 -4.325 7.137 534 HG1 THR 86 HG1 THR 86 6.090 -4.211 6.716 535 HG21 THR 86 HG21 THR 86 2.580 -5.883 5.938 536 HG22 THR 86 HG22 THR 86 4.116 -6.654 6.339 537 HG23 THR 86 HG23 THR 86 3.813 -6.092 4.694 538 H SER 87 HN SER 87 5.669 -4.132 3.968 539 HA SER 87 HA SER 87 4.207 -4.574 1.447 540 HB2 SER 87 HB2 SER 87 6.378 -3.918 0.303 541 HB3 SER 87 HB1 SER 87 5.513 -2.602 1.095 542 HG SER 87 HG SER 87 7.314 -3.903 2.712 543 H THR 88 HN THR 88 4.832 -6.417 0.250 544 HA THR 88 HA THR 88 6.752 -8.221 1.545 545 HB THR 88 HB THR 88 5.177 -10.085 1.459 546 HG1 THR 88 HG1 THR 88 3.602 -9.726 0.060 547 HG21 THR 88 HG21 THR 88 4.281 -7.680 3.027 548 HG22 THR 88 HG22 THR 88 5.306 -9.007 3.571 549 HG23 THR 88 HG23 THR 88 3.593 -9.287 3.254 550 H ASP 89 HN ASP 89 6.006 -10.487 0.046 551 HA ASP 89 HA ASP 89 6.018 -11.541 -1.942 552 HB2 ASP 89 HB2 ASP 89 4.156 -9.998 -2.497 553 HB3 ASP 89 HB1 ASP 89 5.325 -8.869 -3.173 554 H VAL 90 HN VAL 90 7.283 -8.359 -2.966 555 HA VAL 90 HA VAL 90 9.347 -9.693 -4.432 556 HB VAL 90 HB VAL 90 10.127 -7.357 -5.008 557 HG11 VAL 90 HG11 VAL 90 8.227 -6.957 -6.517 558 HG12 VAL 90 HG12 VAL 90 7.275 -8.125 -5.601 559 HG13 VAL 90 HG13 VAL 90 8.707 -8.653 -6.483 560 HG21 VAL 90 HG21 VAL 90 8.899 -6.422 -2.896 561 HG22 VAL 90 HG22 VAL 90 7.500 -6.374 -3.978 562 HG23 VAL 90 HG23 VAL 90 8.961 -5.475 -4.381 563 H LEU 91 HN LEU 91 9.233 -7.661 -1.523 564 HA LEU 91 HA LEU 91 12.106 -7.928 -1.202 565 HB2 LEU 91 HB2 LEU 91 11.804 -6.487 0.786 566 HB3 LEU 91 HB1 LEU 91 11.225 -5.764 -0.702 567 HG LEU 91 HG LEU 91 9.254 -7.195 1.007 568 HD11 LEU 91 HD11 LEU 91 10.310 -4.424 1.580 569 HD12 LEU 91 HD12 LEU 91 10.507 -5.841 2.612 570 HD13 LEU 91 HD13 LEU 91 8.900 -5.165 2.339 571 HD21 LEU 91 HD21 LEU 91 7.791 -5.432 0.172 572 HD22 LEU 91 HD22 LEU 91 8.590 -6.286 -1.149 573 HD23 LEU 91 HD23 LEU 91 9.158 -4.690 -0.659 574 H SER 92 HN SER 92 9.146 -8.935 0.491 575 HA SER 92 HA SER 92 10.694 -10.262 2.539 576 HB2 SER 92 HB2 SER 92 8.534 -9.064 3.001 577 HB3 SER 92 HB1 SER 92 7.700 -10.329 2.101 578 HG SER 92 HG SER 92 9.240 -11.546 3.864 579 H SER 93 HN SER 93 9.410 -11.028 -0.502 580 HA SER 93 HA SER 93 9.335 -12.876 -1.773 581 HB2 SER 93 HB2 SER 93 11.197 -13.974 0.337 582 HB3 SER 93 HB1 SER 93 10.878 -14.736 -1.223 583 HG SER 93 HG SER 93 12.484 -12.600 -0.608 584 H GLY 94 HN GLY 94 9.578 -14.673 1.295 585 HA2 GLY 94 HA2 GLY 94 7.430 -16.388 0.516 586 HA3 GLY 94 HA1 GLY 94 8.262 -16.394 2.063 587 H THR 95 HN THR 95 5.816 -14.684 0.191 588 HA THR 95 HA THR 95 4.142 -14.363 2.531 589 HB THR 95 HB THR 95 3.922 -11.827 1.754 590 HG1 THR 95 HG1 THR 95 6.305 -12.731 0.674 591 HG21 THR 95 HG21 THR 95 6.216 -12.681 3.512 592 HG22 THR 95 HG22 THR 95 4.532 -12.683 4.030 593 HG23 THR 95 HG23 THR 95 5.318 -11.167 3.589 594 H VAL 96 HN VAL 96 1.968 -13.862 1.967 595 HA VAL 96 HA VAL 96 1.383 -14.009 -0.916 596 HB VAL 96 HB VAL 96 -0.464 -14.648 1.393 597 HG11 VAL 96 HG11 VAL 96 -1.912 -15.608 -0.333 598 HG12 VAL 96 HG12 VAL 96 -0.786 -15.060 -1.575 599 HG13 VAL 96 HG13 VAL 96 -1.648 -13.883 -0.584 600 HG21 VAL 96 HG21 VAL 96 0.985 -16.529 -0.468 601 HG22 VAL 96 HG22 VAL 96 -0.179 -16.985 0.775 602 HG23 VAL 96 HG23 VAL 96 1.363 -16.268 1.235 603 H GLY 97 HN GLY 97 1.226 -11.949 -1.626 604 HA2 GLY 97 HA2 GLY 97 -0.849 -10.273 -0.506 605 HA3 GLY 97 HA1 GLY 97 0.775 -9.659 -0.253 606 H SER 98 HN SER 98 -1.802 -10.025 -2.436 607 HA SER 98 HA SER 98 -0.659 -8.154 -4.250 608 HB2 SER 98 HB2 SER 98 0.311 -10.350 -5.030 609 HB3 SER 98 HB1 SER 98 -1.335 -10.913 -5.322 610 HG SER 98 HG SER 98 -1.342 -8.742 -6.600 Start of MODEL 19 1 H1 SER 19 HT1 SER 19 19.556 -1.831 -1.923 2 H2 SER 19 HT2 SER 19 19.700 -0.957 -0.481 3 H3 SER 19 HT3 SER 19 21.089 -1.380 -1.358 4 HA SER 19 HA SER 19 20.519 0.947 -1.648 5 HB2 SER 19 HB2 SER 19 20.448 0.866 -4.176 6 HB3 SER 19 HB1 SER 19 21.712 -0.122 -3.444 7 HG SER 19 HG SER 19 20.414 -1.137 -5.154 8 H PHE 20 HN PHE 20 18.959 1.786 -3.883 9 HA PHE 20 HA PHE 20 16.454 2.268 -2.759 10 HB2 PHE 20 HB2 PHE 20 15.757 2.960 -5.056 11 HB3 PHE 20 HB1 PHE 20 17.253 3.703 -4.513 12 HD1 PHE 20 HD2 PHE 20 19.423 2.892 -5.423 13 HD2 PHE 20 HD1 PHE 20 15.681 1.598 -6.975 14 HE1 PHE 20 HE2 PHE 20 20.547 2.105 -7.465 15 HE2 PHE 20 HE1 PHE 20 16.794 0.811 -9.021 16 HZ PHE 20 HZ PHE 20 19.234 1.064 -9.267 17 H VAL 21 HN VAL 21 14.507 1.310 -2.909 18 HA VAL 21 HA VAL 21 14.373 -1.292 -4.241 19 HB VAL 21 HB VAL 21 15.081 -1.889 -2.059 20 HG11 VAL 21 HG11 VAL 21 12.886 -0.156 -0.945 21 HG12 VAL 21 HG12 VAL 21 14.586 0.296 -1.049 22 HG13 VAL 21 HG13 VAL 21 14.099 -1.060 -0.032 23 HG21 VAL 21 HG21 VAL 21 13.098 -3.143 -3.002 24 HG22 VAL 21 HG22 VAL 21 12.094 -2.188 -1.905 25 HG23 VAL 21 HG23 VAL 21 13.336 -3.259 -1.260 26 H GLN 22 HN GLN 22 12.419 -1.827 -5.034 27 HA GLN 22 HA GLN 22 10.153 -0.098 -4.325 28 HB2 GLN 22 HB2 GLN 22 9.249 -0.487 -6.556 29 HB3 GLN 22 HB1 GLN 22 10.853 0.218 -6.655 30 HG2 GLN 22 HG2 GLN 22 11.317 -1.373 -8.117 31 HG3 GLN 22 HG1 GLN 22 11.340 -2.491 -6.754 32 HE21 GLN 22 HE21 GLN 22 9.582 -3.835 -6.402 33 HE22 GLN 22 HE22 GLN 22 8.348 -4.079 -7.596 34 H CYS 23 HN CYS 23 8.158 -1.124 -3.919 35 HA CYS 23 HA CYS 23 8.193 -4.032 -3.756 36 HB2 CYS 23 HB2 CYS 23 7.641 -3.954 -1.320 37 HB3 CYS 23 HB1 CYS 23 9.280 -3.426 -1.694 38 HG CYS 23 HG CYS 23 7.390 -1.945 0.275 39 H ASN 24 HN ASN 24 6.118 -4.902 -2.982 40 HA ASN 24 HA ASN 24 3.911 -3.405 -4.065 41 HB2 ASN 24 HB2 ASN 24 2.621 -5.486 -3.178 42 HB3 ASN 24 HB1 ASN 24 3.696 -5.674 -4.555 43 HD21 ASN 24 HD21 ASN 24 5.524 -6.888 -4.358 44 HD22 ASN 24 HD22 ASN 24 5.872 -7.864 -2.975 45 H HIS 25 HN HIS 25 2.881 -1.938 -2.951 46 HA HIS 25 HA HIS 25 3.124 -1.813 -0.064 47 HB2 HIS 25 HB2 HIS 25 1.633 -0.007 -1.988 48 HB3 HIS 25 HB1 HIS 25 1.898 0.319 -0.280 49 HD1 HIS 25 HD1 HIS 25 4.975 -1.028 -1.142 50 HD2 HIS 25 HD2 HIS 25 3.129 2.565 -2.101 51 HE1 HIS 25 HE1 HIS 25 6.838 0.531 -1.789 52 HE2 HIS 25 HE2 HIS 25 5.676 2.620 -2.582 53 H HIS 26 HN HIS 26 1.704 -2.665 1.305 54 HA HIS 26 HA HIS 26 -0.638 -3.978 0.182 55 HB2 HIS 26 HB2 HIS 26 0.738 -4.167 2.857 56 HB3 HIS 26 HB1 HIS 26 -0.809 -4.941 2.539 57 HD1 HIS 26 HD1 HIS 26 0.034 -7.321 2.734 58 HD2 HIS 26 HD2 HIS 26 2.138 -5.067 -0.053 59 HE1 HIS 26 HE1 HIS 26 1.445 -8.962 1.464 60 HE2 HIS 26 HE2 HIS 26 2.859 -7.549 -0.067 61 H LEU 27 HN LEU 27 -2.699 -3.438 0.575 62 HA LEU 27 HA LEU 27 -3.215 -1.358 2.597 63 HB2 LEU 27 HB2 LEU 27 -3.926 -1.066 0.110 64 HB3 LEU 27 HB1 LEU 27 -5.183 -2.236 0.491 65 HG LEU 27 HG LEU 27 -5.955 0.132 0.586 66 HD11 LEU 27 HD11 LEU 27 -7.177 -0.048 2.645 67 HD12 LEU 27 HD12 LEU 27 -6.008 -1.214 3.275 68 HD13 LEU 27 HD13 LEU 27 -7.051 -1.651 1.914 69 HD21 LEU 27 HD21 LEU 27 -3.923 1.172 1.405 70 HD22 LEU 27 HD22 LEU 27 -4.071 0.304 2.933 71 HD23 LEU 27 HD23 LEU 27 -5.271 1.520 2.492 72 H LEU 28 HN LEU 28 -4.363 -1.894 4.344 73 HA LEU 28 HA LEU 28 -5.235 -4.679 4.564 74 HB2 LEU 28 HB2 LEU 28 -3.788 -2.950 6.266 75 HB3 LEU 28 HB1 LEU 28 -5.328 -3.263 7.045 76 HG LEU 28 HG LEU 28 -3.625 -4.842 7.777 77 HD11 LEU 28 HD11 LEU 28 -4.825 -6.949 7.264 78 HD12 LEU 28 HD12 LEU 28 -5.809 -6.064 6.095 79 HD13 LEU 28 HD13 LEU 28 -5.876 -5.644 7.808 80 HD21 LEU 28 HD21 LEU 28 -2.169 -4.899 5.899 81 HD22 LEU 28 HD22 LEU 28 -3.447 -5.512 4.854 82 HD23 LEU 28 HD23 LEU 28 -2.789 -6.534 6.136 83 H TYR 29 HN TYR 29 -7.271 -5.157 4.579 84 HA TYR 29 HA TYR 29 -9.282 -3.042 4.842 85 HB2 TYR 29 HB2 TYR 29 -9.185 -4.771 2.893 86 HB3 TYR 29 HB1 TYR 29 -9.789 -5.922 4.080 87 HD1 TYR 29 HD2 TYR 29 -10.566 -2.652 2.496 88 HD2 TYR 29 HD1 TYR 29 -12.099 -6.106 4.448 89 HE1 TYR 29 HE2 TYR 29 -12.852 -1.932 1.960 90 HE2 TYR 29 HE1 TYR 29 -14.393 -5.396 3.909 91 HH TYR 29 HH TYR 29 -15.640 -3.479 3.317 92 H ASN 30 HN ASN 30 -11.043 -3.354 6.355 93 HA ASN 30 HA ASN 30 -10.259 -4.280 8.868 94 HB2 ASN 30 HB2 ASN 30 -12.984 -3.670 7.733 95 HB3 ASN 30 HB1 ASN 30 -12.763 -4.193 9.397 96 HD21 ASN 30 HD21 ASN 30 -10.232 -2.817 9.740 97 HD22 ASN 30 HD22 ASN 30 -10.617 -1.132 9.857 98 H GLY 31 HN GLY 31 -9.603 -6.314 9.096 99 HA2 GLY 31 HA2 GLY 31 -10.636 -8.498 9.754 100 HA3 GLY 31 HA1 GLY 31 -11.417 -8.453 8.181 101 H ARG 32 HN ARG 32 -9.462 -7.790 6.433 102 HA ARG 32 HA ARG 32 -7.313 -9.720 6.800 103 HB2 ARG 32 HB2 ARG 32 -9.459 -10.061 4.700 104 HB3 ARG 32 HB1 ARG 32 -7.921 -10.908 4.675 105 HG2 ARG 32 HG2 ARG 32 -10.001 -11.121 6.839 106 HG3 ARG 32 HG1 ARG 32 -9.723 -12.296 5.552 107 HD2 ARG 32 HD2 ARG 32 -7.703 -11.480 7.637 108 HD3 ARG 32 HD1 ARG 32 -8.675 -12.950 7.684 109 HE ARG 32 HE ARG 32 -7.144 -12.690 5.268 110 HH11 ARG 32 HH11 ARG 32 -6.979 -13.626 8.630 111 HH12 ARG 32 HH12 ARG 32 -5.754 -14.839 8.369 112 HH21 ARG 32 HH21 ARG 32 -5.499 -14.246 4.919 113 HH22 ARG 32 HH22 ARG 32 -4.896 -15.176 6.259 114 H HIS 33 HN HIS 33 -6.102 -9.955 4.620 115 HA HIS 33 HA HIS 33 -5.135 -7.471 3.727 116 HB2 HIS 33 HB2 HIS 33 -3.742 -9.406 3.549 117 HB3 HIS 33 HB1 HIS 33 -4.957 -10.286 2.636 118 HD1 HIS 33 HD1 HIS 33 -2.131 -7.946 2.280 119 HD2 HIS 33 HD2 HIS 33 -5.130 -9.554 -0.109 120 HE1 HIS 33 HE1 HIS 33 -1.462 -7.429 -0.093 121 HE2 HIS 33 HE2 HIS 33 -3.248 -8.490 -1.531 122 H TRP 34 HN TRP 34 -5.796 -6.131 2.092 123 HA TRP 34 HA TRP 34 -8.175 -6.984 0.600 124 HB2 TRP 34 HB2 TRP 34 -8.286 -4.854 1.891 125 HB3 TRP 34 HB1 TRP 34 -7.014 -4.202 0.861 126 HD1 TRP 34 HD1 TRP 34 -10.699 -5.216 0.787 127 HE1 TRP 34 HE1 TRP 34 -11.800 -4.187 -1.286 128 HE3 TRP 34 HE3 TRP 34 -6.531 -3.308 -1.490 129 HZ2 TRP 34 HZ2 TRP 34 -11.017 -2.760 -3.592 130 HZ3 TRP 34 HZ3 TRP 34 -6.800 -2.128 -3.633 131 HH2 TRP 34 HH2 TRP 34 -8.997 -1.861 -4.659 132 H GLY 35 HN GLY 35 -5.162 -5.153 -0.019 133 HA2 GLY 35 HA2 GLY 35 -4.704 -6.557 -2.477 134 HA3 GLY 35 HA1 GLY 35 -5.360 -4.949 -2.749 135 H THR 36 HN THR 36 -3.079 -5.120 -3.874 136 HA THR 36 HA THR 36 -1.320 -3.542 -2.232 137 HB THR 36 HB THR 36 -0.711 -5.904 -1.690 138 HG1 THR 36 HG1 THR 36 0.796 -3.932 -1.970 139 HG21 THR 36 HG21 THR 36 0.184 -5.973 -4.568 140 HG22 THR 36 HG22 THR 36 -1.143 -6.911 -3.880 141 HG23 THR 36 HG23 THR 36 0.516 -7.208 -3.355 142 H ILE 37 HN ILE 37 0.195 -2.338 -3.442 143 HA ILE 37 HA ILE 37 0.009 -2.619 -6.360 144 HB ILE 37 HB ILE 37 -0.029 -0.024 -4.805 145 HG12 ILE 37 HG12 ILE 37 -2.131 0.251 -6.351 146 HG13 ILE 37 HG11 ILE 37 -2.069 -1.506 -6.426 147 HG21 ILE 37 HG21 ILE 37 -0.105 1.116 -6.975 148 HG22 ILE 37 HG22 ILE 37 0.143 -0.426 -7.791 149 HG23 ILE 37 HG23 ILE 37 1.402 0.230 -6.745 150 HD11 ILE 37 HD11 ILE 37 -2.307 -1.640 -4.022 151 HD12 ILE 37 HD12 ILE 37 -3.614 -0.677 -4.713 152 HD13 ILE 37 HD13 ILE 37 -2.268 0.118 -3.899 153 H ARG 38 HN ARG 38 1.927 -2.820 -7.326 154 HA ARG 38 HA ARG 38 4.344 -2.776 -5.781 155 HB2 ARG 38 HB2 ARG 38 3.873 -4.418 -7.607 156 HB3 ARG 38 HB1 ARG 38 4.009 -3.110 -8.771 157 HG2 ARG 38 HG2 ARG 38 6.094 -3.989 -8.896 158 HG3 ARG 38 HG1 ARG 38 6.348 -2.793 -7.623 159 HD2 ARG 38 HD2 ARG 38 7.051 -4.424 -6.297 160 HD3 ARG 38 HD1 ARG 38 5.429 -5.110 -6.332 161 HE ARG 38 HE ARG 38 7.650 -5.873 -8.131 162 HH11 ARG 38 HH11 ARG 38 4.515 -6.573 -6.707 163 HH12 ARG 38 HH12 ARG 38 4.574 -8.255 -7.157 164 HH21 ARG 38 HH21 ARG 38 7.674 -8.057 -8.748 165 HH22 ARG 38 HH22 ARG 38 6.346 -9.091 -8.309 166 H LYS 39 HN LYS 39 4.979 -0.741 -5.177 167 HA LYS 39 HA LYS 39 5.686 1.080 -7.364 168 HB2 LYS 39 HB2 LYS 39 4.153 1.820 -4.872 169 HB3 LYS 39 HB1 LYS 39 4.986 3.008 -5.865 170 HG2 LYS 39 HG2 LYS 39 2.784 1.176 -6.792 171 HG3 LYS 39 HG1 LYS 39 2.612 2.891 -6.408 172 HD2 LYS 39 HD2 LYS 39 3.954 3.532 -8.247 173 HD3 LYS 39 HD1 LYS 39 4.536 1.883 -8.491 174 HE2 LYS 39 HE2 LYS 39 2.335 1.176 -9.199 175 HE3 LYS 39 HE1 LYS 39 1.677 2.775 -8.860 176 HZ1 LYS 39 HZ1 LYS 39 3.771 2.166 -10.884 177 HZ2 LYS 39 HZ2 LYS 39 3.100 3.693 -10.581 178 HZ3 LYS 39 HZ3 LYS 39 2.136 2.458 -11.227 179 H LYS 40 HN LYS 40 7.380 2.549 -6.891 180 HA LYS 40 HA LYS 40 9.457 1.350 -5.338 181 HB2 LYS 40 HB2 LYS 40 9.398 4.078 -6.649 182 HB3 LYS 40 HB1 LYS 40 10.833 3.206 -6.124 183 HG2 LYS 40 HG2 LYS 40 10.424 1.484 -7.783 184 HG3 LYS 40 HG1 LYS 40 8.943 2.300 -8.286 185 HD2 LYS 40 HD2 LYS 40 10.762 2.791 -9.826 186 HD3 LYS 40 HD1 LYS 40 10.265 4.253 -8.972 187 HE2 LYS 40 HE2 LYS 40 12.152 4.046 -7.465 188 HE3 LYS 40 HE1 LYS 40 12.619 2.524 -8.219 189 HZ1 LYS 40 HZ1 LYS 40 13.943 4.421 -9.007 190 HZ2 LYS 40 HZ2 LYS 40 12.534 5.150 -9.607 191 HZ3 LYS 40 HZ3 LYS 40 13.077 3.688 -10.262 192 H ALA 41 HN ALA 41 10.586 2.288 -3.568 193 HA ALA 41 HA ALA 41 8.920 3.367 -1.564 194 HB1 ALA 41 HB1 ALA 41 11.928 3.201 -1.701 195 HB2 ALA 41 HB2 ALA 41 10.832 2.010 -0.998 196 HB3 ALA 41 HB3 ALA 41 10.996 3.601 -0.258 197 H GLY 42 HN GLY 42 8.768 5.412 -0.712 198 HA2 GLY 42 HA2 GLY 42 9.188 7.714 -0.547 199 HA3 GLY 42 HA1 GLY 42 10.257 7.592 -1.936 200 H TRP 43 HN TRP 43 8.136 6.085 -3.412 201 HA TRP 43 HA TRP 43 6.819 8.431 -4.475 202 HB2 TRP 43 HB2 TRP 43 6.870 5.552 -5.393 203 HB3 TRP 43 HB1 TRP 43 6.028 6.846 -6.241 204 HD1 TRP 43 HD1 TRP 43 9.567 5.613 -5.431 205 HE1 TRP 43 HE1 TRP 43 11.224 6.734 -7.058 206 HE3 TRP 43 HE3 TRP 43 6.359 8.872 -7.711 207 HZ2 TRP 43 HZ2 TRP 43 11.165 8.744 -9.038 208 HZ3 TRP 43 HZ3 TRP 43 7.240 10.364 -9.459 209 HH2 TRP 43 HH2 TRP 43 9.594 10.299 -10.107 210 H ALA 44 HN ALA 44 4.738 8.939 -4.280 211 HA ALA 44 HA ALA 44 3.183 7.700 -2.248 212 HB1 ALA 44 HB1 ALA 44 3.058 10.095 -2.708 213 HB2 ALA 44 HB2 ALA 44 1.476 9.335 -2.861 214 HB3 ALA 44 HB3 ALA 44 2.390 9.760 -4.305 215 H VAL 45 HN VAL 45 1.546 6.253 -2.402 216 HA VAL 45 HA VAL 45 0.742 5.385 -5.096 217 HB VAL 45 HB VAL 45 2.205 3.734 -3.927 218 HG11 VAL 45 HG11 VAL 45 -0.089 3.560 -1.983 219 HG12 VAL 45 HG12 VAL 45 1.535 4.156 -1.641 220 HG13 VAL 45 HG13 VAL 45 1.286 2.458 -2.048 221 HG21 VAL 45 HG21 VAL 45 0.827 1.792 -4.384 222 HG22 VAL 45 HG22 VAL 45 0.591 3.026 -5.623 223 HG23 VAL 45 HG23 VAL 45 -0.625 2.793 -4.365 224 H ARG 46 HN ARG 46 -1.425 4.742 -5.347 225 HA ARG 46 HA ARG 46 -3.217 6.077 -3.490 226 HB2 ARG 46 HB2 ARG 46 -4.769 6.205 -5.199 227 HB3 ARG 46 HB1 ARG 46 -3.266 6.246 -6.105 228 HG2 ARG 46 HG2 ARG 46 -4.975 3.797 -5.687 229 HG3 ARG 46 HG1 ARG 46 -4.968 4.799 -7.134 230 HD2 ARG 46 HD2 ARG 46 -2.507 3.418 -6.087 231 HD3 ARG 46 HD1 ARG 46 -3.613 2.657 -7.224 232 HE ARG 46 HE ARG 46 -2.373 5.236 -7.905 233 HH11 ARG 46 HH11 ARG 46 -2.845 1.814 -8.508 234 HH12 ARG 46 HH12 ARG 46 -2.016 1.837 -10.037 235 HH21 ARG 46 HH21 ARG 46 -1.296 5.267 -9.936 236 HH22 ARG 46 HH22 ARG 46 -1.169 3.798 -10.862 237 H PHE 47 HN PHE 47 -4.897 5.088 -2.418 238 HA PHE 47 HA PHE 47 -5.263 2.202 -2.814 239 HB2 PHE 47 HB2 PHE 47 -4.988 3.620 -0.155 240 HB3 PHE 47 HB1 PHE 47 -5.643 1.996 -0.328 241 HD1 PHE 47 HD1 PHE 47 -4.064 0.385 -1.766 242 HD2 PHE 47 HD2 PHE 47 -2.787 3.797 0.428 243 HE1 PHE 47 HE1 PHE 47 -1.804 -0.570 -1.603 244 HE2 PHE 47 HE2 PHE 47 -0.522 2.853 0.585 245 HZ PHE 47 HZ PHE 47 -0.028 0.662 -0.428 246 H TYR 48 HN TYR 48 -7.393 1.562 -2.790 247 HA TYR 48 HA TYR 48 -9.430 3.461 -1.936 248 HB2 TYR 48 HB2 TYR 48 -10.628 3.255 -4.122 249 HB3 TYR 48 HB1 TYR 48 -9.112 4.139 -4.227 250 HD1 TYR 48 HD1 TYR 48 -7.153 3.109 -5.331 251 HD2 TYR 48 HD2 TYR 48 -10.952 1.188 -5.289 252 HE1 TYR 48 HE1 TYR 48 -6.422 1.637 -7.159 253 HE2 TYR 48 HE2 TYR 48 -10.224 -0.301 -7.109 254 HH TYR 48 HH TYR 48 -8.579 -0.290 -8.938 255 H GLU 49 HN GLU 49 -11.530 2.525 -1.743 256 HA GLU 49 HA GLU 49 -11.362 -0.334 -1.171 257 HB2 GLU 49 HB2 GLU 49 -13.429 0.000 0.131 258 HB3 GLU 49 HB1 GLU 49 -12.138 1.069 0.662 259 HG2 GLU 49 HG2 GLU 49 -13.202 2.845 -0.790 260 HG3 GLU 49 HG1 GLU 49 -14.574 1.749 -0.952 261 H GLU 50 HN GLU 50 -12.506 -1.826 -2.187 262 HA GLU 50 HA GLU 50 -14.070 -1.047 -4.518 263 HB2 GLU 50 HB2 GLU 50 -12.426 -3.340 -3.770 264 HB3 GLU 50 HB1 GLU 50 -13.972 -3.814 -4.461 265 HG2 GLU 50 HG2 GLU 50 -12.105 -1.859 -5.765 266 HG3 GLU 50 HG1 GLU 50 -12.088 -3.592 -6.085 267 H LYS 51 HN LYS 51 -16.113 -0.617 -4.016 268 HA LYS 51 HA LYS 51 -17.536 -2.460 -2.228 269 HB2 LYS 51 HB2 LYS 51 -18.227 0.341 -3.137 270 HB3 LYS 51 HB1 LYS 51 -19.237 -0.652 -2.096 271 HG2 LYS 51 HG2 LYS 51 -16.443 0.255 -1.420 272 HG3 LYS 51 HG1 LYS 51 -17.927 1.037 -0.872 273 HD2 LYS 51 HD2 LYS 51 -18.594 -1.058 0.235 274 HD3 LYS 51 HD1 LYS 51 -17.071 -1.791 -0.276 275 HE2 LYS 51 HE2 LYS 51 -15.832 -0.124 0.985 276 HE3 LYS 51 HE1 LYS 51 -17.337 0.658 1.458 277 HZ1 LYS 51 HZ1 LYS 51 -17.958 -1.435 2.590 278 HZ2 LYS 51 HZ2 LYS 51 -16.587 -0.691 3.244 279 HZ3 LYS 51 HZ3 LYS 51 -16.410 -2.049 2.248 280 HA PRO 52 HA PRO 52 -19.210 -4.279 -5.918 281 HB2 PRO 52 HB2 PRO 52 -21.408 -5.427 -4.660 282 HB3 PRO 52 HB1 PRO 52 -19.807 -6.161 -4.791 283 HG2 PRO 52 HG2 PRO 52 -21.026 -4.654 -2.523 284 HG3 PRO 52 HG1 PRO 52 -19.981 -6.085 -2.484 285 HD2 PRO 52 HD2 PRO 52 -19.028 -3.652 -1.908 286 HD3 PRO 52 HD1 PRO 52 -18.049 -4.833 -2.805 287 H GLY 53 HN GLY 53 -20.163 -3.013 -7.351 288 HA2 GLY 53 HA2 GLY 53 -22.005 -2.079 -8.444 289 HA3 GLY 53 HA1 GLY 53 -22.926 -2.210 -6.953 290 H GLN 54 HN GLN 54 -20.187 -0.870 -5.979 291 HA GLN 54 HA GLN 54 -21.284 1.854 -6.207 292 HB2 GLN 54 HB2 GLN 54 -19.669 0.567 -3.989 293 HB3 GLN 54 HB1 GLN 54 -20.251 2.232 -3.995 294 HG2 GLN 54 HG2 GLN 54 -22.431 1.630 -3.644 295 HG3 GLN 54 HG1 GLN 54 -22.216 0.031 -4.358 296 HE21 GLN 54 HE21 GLN 54 -21.493 -1.641 -3.108 297 HE22 GLN 54 HE22 GLN 54 -21.364 -1.544 -1.386 298 HA PRO 55 HA PRO 55 -17.426 3.215 -7.943 299 HB2 PRO 55 HB2 PRO 55 -17.158 5.682 -6.890 300 HB3 PRO 55 HB1 PRO 55 -18.354 5.302 -8.133 301 HG2 PRO 55 HG2 PRO 55 -18.718 5.556 -5.173 302 HG3 PRO 55 HG1 PRO 55 -19.748 6.160 -6.484 303 HD2 PRO 55 HD2 PRO 55 -20.306 3.891 -5.105 304 HD3 PRO 55 HD1 PRO 55 -20.751 4.115 -6.809 305 H LYS 56 HN LYS 56 -15.218 3.616 -7.459 306 HA LYS 56 HA LYS 56 -14.419 2.425 -4.953 307 HB2 LYS 56 HB2 LYS 56 -12.644 3.512 -7.145 308 HB3 LYS 56 HB1 LYS 56 -12.167 2.441 -5.842 309 HG2 LYS 56 HG2 LYS 56 -12.365 0.938 -7.536 310 HG3 LYS 56 HG1 LYS 56 -14.003 0.884 -6.885 311 HD2 LYS 56 HD2 LYS 56 -14.801 2.353 -8.600 312 HD3 LYS 56 HD1 LYS 56 -13.163 2.634 -9.188 313 HE2 LYS 56 HE2 LYS 56 -14.297 1.069 -10.640 314 HE3 LYS 56 HE1 LYS 56 -12.990 0.256 -9.779 315 HZ1 LYS 56 HZ1 LYS 56 -15.882 0.127 -9.090 316 HZ2 LYS 56 HZ2 LYS 56 -14.634 -0.636 -8.224 317 HZ3 LYS 56 HZ3 LYS 56 -14.970 -1.100 -9.821 318 H ARG 57 HN ARG 57 -13.647 3.441 -3.210 319 HA ARG 57 HA ARG 57 -13.439 6.371 -3.370 320 HB2 ARG 57 HB2 ARG 57 -15.224 5.527 -1.908 321 HB3 ARG 57 HB1 ARG 57 -14.044 4.599 -0.996 322 HG2 ARG 57 HG2 ARG 57 -14.407 6.459 0.325 323 HG3 ARG 57 HG1 ARG 57 -12.921 6.858 -0.533 324 HD2 ARG 57 HD2 ARG 57 -15.646 7.738 -1.449 325 HD3 ARG 57 HD1 ARG 57 -14.644 8.693 -0.362 326 HE ARG 57 HE ARG 57 -13.400 7.936 -2.868 327 HH11 ARG 57 HH11 ARG 57 -15.276 10.343 -1.150 328 HH12 ARG 57 HH12 ARG 57 -14.777 11.645 -2.182 329 HH21 ARG 57 HH21 ARG 57 -12.760 9.645 -4.237 330 HH22 ARG 57 HH22 ARG 57 -13.348 11.257 -3.938 331 H LEU 58 HN LEU 58 -11.480 7.216 -3.166 332 HA LEU 58 HA LEU 58 -9.141 5.785 -2.593 333 HB2 LEU 58 HB2 LEU 58 -9.791 8.310 -3.498 334 HB3 LEU 58 HB1 LEU 58 -9.054 8.639 -1.942 335 HG LEU 58 HG LEU 58 -7.727 7.036 -4.134 336 HD11 LEU 58 HD11 LEU 58 -7.332 9.925 -3.360 337 HD12 LEU 58 HD12 LEU 58 -8.092 9.346 -4.843 338 HD13 LEU 58 HD13 LEU 58 -6.383 9.029 -4.545 339 HD21 LEU 58 HD21 LEU 58 -5.705 7.391 -2.830 340 HD22 LEU 58 HD22 LEU 58 -6.922 6.537 -1.879 341 HD23 LEU 58 HD23 LEU 58 -6.632 8.255 -1.603 342 H VAL 59 HN VAL 59 -8.758 4.798 -0.709 343 HA VAL 59 HA VAL 59 -9.942 5.867 1.737 344 HB VAL 59 HB VAL 59 -9.463 3.710 2.750 345 HG11 VAL 59 HG11 VAL 59 -10.684 3.302 0.035 346 HG12 VAL 59 HG12 VAL 59 -11.507 4.052 1.396 347 HG13 VAL 59 HG13 VAL 59 -10.991 2.371 1.501 348 HG21 VAL 59 HG21 VAL 59 -8.523 1.864 1.442 349 HG22 VAL 59 HG22 VAL 59 -7.366 3.179 1.642 350 HG23 VAL 59 HG23 VAL 59 -8.209 2.972 0.106 351 H ALA 60 HN ALA 60 -6.884 5.684 0.200 352 HA ALA 60 HA ALA 60 -5.636 7.075 2.343 353 HB1 ALA 60 HB1 ALA 60 -4.765 4.230 1.878 354 HB2 ALA 60 HB2 ALA 60 -5.560 4.867 3.312 355 HB3 ALA 60 HB3 ALA 60 -3.937 5.407 2.901 356 H ILE 61 HN ILE 61 -4.005 8.233 1.630 357 HA ILE 61 HA ILE 61 -2.655 7.397 -0.848 358 HB ILE 61 HB ILE 61 -2.598 10.132 0.452 359 HG12 ILE 61 HG12 ILE 61 -3.762 10.677 -1.846 360 HG13 ILE 61 HG11 ILE 61 -4.244 8.983 -1.775 361 HG21 ILE 61 HG21 ILE 61 -1.569 9.297 -2.252 362 HG22 ILE 61 HG22 ILE 61 -0.563 9.405 -0.807 363 HG23 ILE 61 HG23 ILE 61 -1.346 10.853 -1.447 364 HD11 ILE 61 HD11 ILE 61 -4.887 11.146 0.217 365 HD12 ILE 61 HD12 ILE 61 -5.259 9.438 0.435 366 HD13 ILE 61 HD13 ILE 61 -6.001 10.335 -0.887 367 H CYS 62 HN CYS 62 -0.781 6.385 -0.463 368 HA CYS 62 HA CYS 62 0.550 6.950 2.096 369 HB2 CYS 62 HB2 CYS 62 -1.023 4.921 2.103 370 HB3 CYS 62 HB1 CYS 62 0.165 4.150 1.057 371 H LYS 63 HN LYS 63 2.768 6.367 2.201 372 HA LYS 63 HA LYS 63 4.080 5.299 -0.129 373 HB2 LYS 63 HB2 LYS 63 5.521 7.204 -0.542 374 HB3 LYS 63 HB1 LYS 63 3.844 7.706 -0.699 375 HG2 LYS 63 HG2 LYS 63 3.914 8.701 1.519 376 HG3 LYS 63 HG1 LYS 63 5.587 8.169 1.710 377 HD2 LYS 63 HD2 LYS 63 5.746 10.422 1.053 378 HD3 LYS 63 HD1 LYS 63 6.068 9.491 -0.413 379 HE2 LYS 63 HE2 LYS 63 3.846 9.860 -1.219 380 HE3 LYS 63 HE1 LYS 63 3.369 10.614 0.301 381 HZ1 LYS 63 HZ1 LYS 63 5.397 11.688 -1.592 382 HZ2 LYS 63 HZ2 LYS 63 4.911 12.413 -0.137 383 HZ3 LYS 63 HZ3 LYS 63 3.807 12.258 -1.414 384 H ASN 64 HN ASN 64 6.347 4.877 0.304 385 HA ASN 64 HA ASN 64 6.799 4.184 3.059 386 HB2 ASN 64 HB2 ASN 64 7.548 2.701 1.234 387 HB3 ASN 64 HB1 ASN 64 8.633 3.960 0.655 388 HD21 ASN 64 HD21 ASN 64 10.530 4.362 1.731 389 HD22 ASN 64 HD22 ASN 64 11.146 3.296 2.959 390 H ALA 65 HN ALA 65 8.015 5.227 4.497 391 HA ALA 65 HA ALA 65 8.269 7.969 4.315 392 HB1 ALA 65 HB1 ALA 65 9.418 7.880 6.422 393 HB2 ALA 65 HB2 ALA 65 9.723 6.167 6.179 394 HB3 ALA 65 HB3 ALA 65 8.076 6.736 6.401 395 H SER 66 HN SER 66 10.601 5.530 3.487 396 HA SER 66 HA SER 66 12.602 7.617 2.991 397 HB2 SER 66 HB2 SER 66 13.332 5.704 4.390 398 HB3 SER 66 HB1 SER 66 12.936 4.603 3.071 399 HG SER 66 HG SER 66 15.211 5.816 3.484 400 HA PRO 67 HA PRO 67 11.634 7.048 -1.335 401 HB2 PRO 67 HB2 PRO 67 13.405 8.797 -2.338 402 HB3 PRO 67 HB1 PRO 67 11.965 9.332 -1.462 403 HG2 PRO 67 HG2 PRO 67 14.792 9.118 -0.510 404 HG3 PRO 67 HG1 PRO 67 13.598 10.387 -0.192 405 HD2 PRO 67 HD2 PRO 67 14.207 8.351 1.556 406 HD3 PRO 67 HD1 PRO 67 12.667 9.232 1.544 407 H VAL 68 HN VAL 68 14.244 5.894 0.288 408 HA VAL 68 HA VAL 68 15.489 4.818 -2.160 409 HB VAL 68 HB VAL 68 16.936 5.202 0.452 410 HG11 VAL 68 HG11 VAL 68 18.127 4.942 -2.283 411 HG12 VAL 68 HG12 VAL 68 17.647 3.527 -1.356 412 HG13 VAL 68 HG13 VAL 68 18.870 4.626 -0.713 413 HG21 VAL 68 HG21 VAL 68 18.011 7.164 -0.576 414 HG22 VAL 68 HG22 VAL 68 16.278 7.400 -0.355 415 HG23 VAL 68 HG23 VAL 68 16.920 7.026 -1.955 416 H HIS 69 HN HIS 69 15.450 4.127 1.331 417 HA HIS 69 HA HIS 69 15.353 1.261 0.721 418 HB2 HIS 69 HB2 HIS 69 17.113 2.079 2.220 419 HB3 HIS 69 HB1 HIS 69 15.906 2.698 3.318 420 HD1 HIS 69 HD1 HIS 69 17.420 -0.532 2.101 421 HD2 HIS 69 HD2 HIS 69 14.943 0.876 5.131 422 HE1 HIS 69 HE1 HIS 69 17.228 -2.418 3.751 423 HE2 HIS 69 HE2 HIS 69 15.889 -1.468 5.659 424 H CYS 70 HN CYS 70 14.007 -0.061 2.104 425 HA CYS 70 HA CYS 70 11.356 1.194 2.331 426 HB2 CYS 70 HB2 CYS 70 10.459 -1.112 2.171 427 HB3 CYS 70 HB1 CYS 70 11.426 -0.656 0.775 428 HG CYS 70 HG CYS 70 12.410 -2.712 3.326 429 H ASN 71 HN ASN 71 10.353 1.402 4.218 430 HA ASN 71 HA ASN 71 11.348 -0.132 6.528 431 HB2 ASN 71 HB2 ASN 71 10.648 2.817 6.501 432 HB3 ASN 71 HB1 ASN 71 10.991 1.881 7.950 433 HD21 ASN 71 HD21 ASN 71 12.313 4.231 6.788 434 HD22 ASN 71 HD22 ASN 71 13.977 3.784 6.587 435 H TYR 72 HN TYR 72 8.921 2.392 6.502 436 HA TYR 72 HA TYR 72 6.783 0.393 6.733 437 HB2 TYR 72 HB2 TYR 72 6.922 2.916 8.395 438 HB3 TYR 72 HB1 TYR 72 5.754 1.610 8.535 439 HD1 TYR 72 HD1 TYR 72 7.020 -0.785 8.862 440 HD2 TYR 72 HD2 TYR 72 8.482 3.011 10.089 441 HE1 TYR 72 HE1 TYR 72 8.416 -1.883 10.568 442 HE2 TYR 72 HE2 TYR 72 9.884 1.929 11.792 443 HH TYR 72 HH TYR 72 9.978 -0.148 13.060 444 H LEU 73 HN LEU 73 4.598 1.537 6.504 445 HA LEU 73 HA LEU 73 4.810 3.407 4.256 446 HB2 LEU 73 HB2 LEU 73 2.672 1.464 5.083 447 HB3 LEU 73 HB1 LEU 73 2.344 2.755 3.945 448 HG LEU 73 HG LEU 73 4.235 0.437 3.591 449 HD11 LEU 73 HD11 LEU 73 2.787 0.015 1.620 450 HD12 LEU 73 HD12 LEU 73 1.730 1.323 2.160 451 HD13 LEU 73 HD13 LEU 73 1.939 -0.115 3.161 452 HD21 LEU 73 HD21 LEU 73 5.369 2.325 2.679 453 HD22 LEU 73 HD22 LEU 73 3.896 2.916 1.913 454 HD23 LEU 73 HD23 LEU 73 4.658 1.434 1.333 455 H LYS 74 HN LYS 74 4.388 5.432 4.606 456 HA LYS 74 HA LYS 74 2.777 6.206 6.933 457 HB2 LYS 74 HB2 LYS 74 4.899 7.603 5.332 458 HB3 LYS 74 HB1 LYS 74 3.724 8.551 6.232 459 HG2 LYS 74 HG2 LYS 74 5.779 8.233 7.500 460 HG3 LYS 74 HG1 LYS 74 4.402 7.479 8.301 461 HD2 LYS 74 HD2 LYS 74 5.108 5.304 7.271 462 HD3 LYS 74 HD1 LYS 74 6.572 6.116 6.713 463 HE2 LYS 74 HE2 LYS 74 6.859 4.848 8.833 464 HE3 LYS 74 HE1 LYS 74 7.257 6.560 8.960 465 HZ1 LYS 74 HZ1 LYS 74 5.873 5.547 10.802 466 HZ2 LYS 74 HZ2 LYS 74 4.581 5.529 9.698 467 HZ3 LYS 74 HZ3 LYS 74 5.311 6.996 10.135 468 H CYS 75 HN CYS 75 0.706 6.384 6.459 469 HA CYS 75 HA CYS 75 -0.036 7.290 3.759 470 HB2 CYS 75 HB2 CYS 75 -1.940 5.889 5.595 471 HB3 CYS 75 HB1 CYS 75 -1.883 5.896 3.836 472 H THR 76 HN THR 76 -1.756 8.753 3.512 473 HA THR 76 HA THR 76 -2.623 10.118 5.974 474 HB THR 76 HB THR 76 -1.009 11.510 4.668 475 HG1 THR 76 HG1 THR 76 -2.492 12.663 5.868 476 HG21 THR 76 HG21 THR 76 -3.173 11.499 2.566 477 HG22 THR 76 HG22 THR 76 -1.616 10.679 2.424 478 HG23 THR 76 HG23 THR 76 -1.680 12.441 2.521 479 H ASN 77 HN ASN 77 -4.745 11.081 5.854 480 HA ASN 77 HA ASN 77 -6.968 11.087 5.410 481 HB2 ASN 77 HB2 ASN 77 -5.867 10.683 2.639 482 HB3 ASN 77 HB1 ASN 77 -7.602 10.751 2.930 483 HD21 ASN 77 HD21 ASN 77 -4.596 12.542 3.124 484 HD22 ASN 77 HD22 ASN 77 -5.319 14.112 3.177 485 H LEU 78 HN LEU 78 -6.131 8.796 6.571 486 HA LEU 78 HA LEU 78 -6.852 6.428 5.208 487 HB2 LEU 78 HB2 LEU 78 -6.734 7.002 8.171 488 HB3 LEU 78 HB1 LEU 78 -6.922 5.405 7.471 489 HG LEU 78 HG LEU 78 -4.521 7.208 7.194 490 HD11 LEU 78 HD11 LEU 78 -4.704 6.164 9.379 491 HD12 LEU 78 HD12 LEU 78 -3.386 5.445 8.457 492 HD13 LEU 78 HD13 LEU 78 -4.915 4.584 8.625 493 HD21 LEU 78 HD21 LEU 78 -4.855 5.981 5.143 494 HD22 LEU 78 HD22 LEU 78 -5.066 4.481 6.041 495 HD23 LEU 78 HD23 LEU 78 -3.498 5.287 6.031 496 H ALA 79 HN ALA 79 -8.698 5.185 5.293 497 HA ALA 79 HA ALA 79 -11.152 6.670 5.793 498 HB1 ALA 79 HB1 ALA 79 -10.758 3.923 4.608 499 HB2 ALA 79 HB2 ALA 79 -10.915 5.425 3.696 500 HB3 ALA 79 HB3 ALA 79 -12.270 4.828 4.655 501 H ALA 80 HN ALA 80 -10.673 6.656 8.118 502 HA ALA 80 HA ALA 80 -11.124 6.031 10.239 503 HB1 ALA 80 HB1 ALA 80 -12.958 4.504 10.665 504 HB2 ALA 80 HB2 ALA 80 -12.918 3.961 8.987 505 HB3 ALA 80 HB3 ALA 80 -13.372 5.623 9.366 506 H GLY 81 HN GLY 81 -11.661 2.723 9.249 507 HA2 GLY 81 HA2 GLY 81 -9.281 1.961 10.786 508 HA3 GLY 81 HA1 GLY 81 -10.625 0.908 10.371 509 H PHE 82 HN PHE 82 -10.383 2.217 7.573 510 HA PHE 82 HA PHE 82 -8.815 0.098 6.468 511 HB2 PHE 82 HB2 PHE 82 -9.983 2.529 5.097 512 HB3 PHE 82 HB1 PHE 82 -9.344 1.101 4.291 513 HD1 PHE 82 HD2 PHE 82 -10.438 -1.158 5.425 514 HD2 PHE 82 HD1 PHE 82 -12.255 2.668 5.072 515 HE1 PHE 82 HE2 PHE 82 -12.654 -2.208 5.545 516 HE2 PHE 82 HE1 PHE 82 -14.481 1.623 5.189 517 HZ PHE 82 HZ PHE 82 -14.685 -0.817 5.428 518 H SER 83 HN SER 83 -6.716 0.093 6.536 519 HA SER 83 HA SER 83 -5.222 2.537 5.963 520 HB2 SER 83 HB2 SER 83 -3.660 1.795 7.897 521 HB3 SER 83 HB1 SER 83 -5.157 2.628 8.307 522 HG SER 83 HG SER 83 -6.091 0.653 8.818 523 H ALA 84 HN ALA 84 -2.756 1.839 5.954 524 HA ALA 84 HA ALA 84 -2.687 -0.439 4.118 525 HB1 ALA 84 HB1 ALA 84 -0.539 0.497 3.361 526 HB2 ALA 84 HB2 ALA 84 -0.696 1.786 4.555 527 HB3 ALA 84 HB3 ALA 84 -1.858 1.663 3.236 528 H GLY 85 HN GLY 85 -0.544 -1.669 4.152 529 HA2 GLY 85 HA2 GLY 85 0.292 -2.145 6.946 530 HA3 GLY 85 HA1 GLY 85 -0.100 -3.475 5.862 531 H THR 86 HN THR 86 2.028 -4.253 6.299 532 HA THR 86 HA THR 86 4.329 -2.734 5.500 533 HB THR 86 HB THR 86 4.364 -4.427 7.318 534 HG1 THR 86 HG1 THR 86 6.416 -4.535 6.885 535 HG21 THR 86 HG21 THR 86 2.897 -6.084 6.254 536 HG22 THR 86 HG22 THR 86 4.426 -6.795 6.784 537 HG23 THR 86 HG23 THR 86 4.166 -6.436 5.076 538 H SER 87 HN SER 87 5.955 -4.206 4.057 539 HA SER 87 HA SER 87 4.500 -4.816 1.568 540 HB2 SER 87 HB2 SER 87 7.293 -3.677 1.855 541 HB3 SER 87 HB1 SER 87 6.470 -4.030 0.333 542 HG SER 87 HG SER 87 5.224 -2.344 2.196 543 H THR 88 HN THR 88 5.237 -6.614 0.339 544 HA THR 88 HA THR 88 7.086 -8.430 1.735 545 HB THR 88 HB THR 88 5.521 -10.286 1.498 546 HG1 THR 88 HG1 THR 88 3.712 -10.035 0.419 547 HG21 THR 88 HG21 THR 88 4.561 -7.927 3.112 548 HG22 THR 88 HG22 THR 88 5.577 -9.265 3.651 549 HG23 THR 88 HG23 THR 88 3.878 -9.545 3.264 550 H ASP 89 HN ASP 89 6.494 -10.684 0.212 551 HA ASP 89 HA ASP 89 6.700 -11.761 -1.747 552 HB2 ASP 89 HB2 ASP 89 4.769 -10.499 -2.466 553 HB3 ASP 89 HB1 ASP 89 5.786 -9.134 -2.914 554 H VAL 90 HN VAL 90 7.739 -8.561 -2.899 555 HA VAL 90 HA VAL 90 9.950 -9.711 -4.248 556 HB VAL 90 HB VAL 90 10.607 -7.228 -4.564 557 HG11 VAL 90 HG11 VAL 90 8.945 -6.979 -6.323 558 HG12 VAL 90 HG12 VAL 90 7.957 -8.239 -5.585 559 HG13 VAL 90 HG13 VAL 90 9.537 -8.639 -6.260 560 HG21 VAL 90 HG21 VAL 90 7.972 -7.017 -3.149 561 HG22 VAL 90 HG22 VAL 90 8.442 -5.813 -4.344 562 HG23 VAL 90 HG23 VAL 90 9.442 -6.069 -2.912 563 H LEU 91 HN LEU 91 9.692 -7.659 -1.357 564 HA LEU 91 HA LEU 91 12.547 -7.916 -0.911 565 HB2 LEU 91 HB2 LEU 91 12.281 -6.315 0.856 566 HB3 LEU 91 HB1 LEU 91 11.468 -5.744 -0.585 567 HG LEU 91 HG LEU 91 9.344 -6.785 0.579 568 HD11 LEU 91 HD11 LEU 91 9.565 -6.268 3.077 569 HD12 LEU 91 HD12 LEU 91 11.305 -6.433 2.810 570 HD13 LEU 91 HD13 LEU 91 10.230 -7.790 2.482 571 HD21 LEU 91 HD21 LEU 91 8.919 -4.597 1.609 572 HD22 LEU 91 HD22 LEU 91 9.589 -4.462 -0.017 573 HD23 LEU 91 HD23 LEU 91 10.620 -4.181 1.385 574 H SER 92 HN SER 92 9.561 -9.224 0.315 575 HA SER 92 HA SER 92 10.817 -10.290 2.684 576 HB2 SER 92 HB2 SER 92 8.524 -9.501 2.817 577 HB3 SER 92 HB1 SER 92 8.036 -10.617 1.545 578 HG SER 92 HG SER 92 9.217 -11.528 3.955 579 H SER 93 HN SER 93 9.195 -11.721 -0.159 580 HA SER 93 HA SER 93 9.287 -13.757 -1.128 581 HB2 SER 93 HB2 SER 93 11.765 -13.390 -1.150 582 HB3 SER 93 HB1 SER 93 11.861 -14.220 0.403 583 HG SER 93 HG SER 93 12.135 -15.421 -1.760 584 H GLY 94 HN GLY 94 8.276 -15.643 -0.704 585 HA2 GLY 94 HA2 GLY 94 7.442 -17.389 0.661 586 HA3 GLY 94 HA1 GLY 94 8.125 -16.583 2.071 587 H THR 95 HN THR 95 6.781 -14.225 0.377 588 HA THR 95 HA THR 95 4.166 -14.443 1.696 589 HB THR 95 HB THR 95 4.332 -11.823 1.288 590 HG1 THR 95 HG1 THR 95 7.011 -12.265 1.974 591 HG21 THR 95 HG21 THR 95 5.900 -12.969 3.558 592 HG22 THR 95 HG22 THR 95 4.156 -13.187 3.462 593 HG23 THR 95 HG23 THR 95 4.842 -11.563 3.554 594 H VAL 96 HN VAL 96 2.349 -13.530 0.511 595 HA VAL 96 HA VAL 96 2.766 -13.662 -2.389 596 HB VAL 96 HB VAL 96 0.313 -13.805 -2.590 597 HG11 VAL 96 HG11 VAL 96 1.587 -15.853 -2.448 598 HG12 VAL 96 HG12 VAL 96 0.053 -16.046 -1.600 599 HG13 VAL 96 HG13 VAL 96 1.541 -15.794 -0.686 600 HG21 VAL 96 HG21 VAL 96 -0.365 -12.539 -0.644 601 HG22 VAL 96 HG22 VAL 96 0.344 -13.746 0.426 602 HG23 VAL 96 HG23 VAL 96 -1.054 -14.161 -0.566 603 H GLY 97 HN GLY 97 2.189 -12.027 -3.774 604 HA2 GLY 97 HA2 GLY 97 0.797 -9.700 -3.167 605 HA3 GLY 97 HA1 GLY 97 2.492 -9.388 -2.814 606 H SER 98 HN SER 98 1.412 -7.852 -4.690 607 HA SER 98 HA SER 98 2.965 -8.432 -6.996 608 HB2 SER 98 HB2 SER 98 0.961 -9.885 -7.403 609 HB3 SER 98 HB1 SER 98 -0.041 -8.437 -7.378 610 HG SER 98 HG SER 98 0.402 -8.346 -9.423 Start of MODEL 20 1 H1 SER 19 HT1 SER 19 19.022 -2.094 -3.015 2 H2 SER 19 HT2 SER 19 19.314 -1.192 -1.613 3 H3 SER 19 HT3 SER 19 20.606 -1.655 -2.605 4 HA SER 19 HA SER 19 20.075 0.670 -2.915 5 HB2 SER 19 HB2 SER 19 19.263 -1.014 -5.300 6 HB3 SER 19 HB1 SER 19 19.961 0.606 -5.337 7 HG SER 19 HG SER 19 21.531 -1.026 -5.729 8 H PHE 20 HN PHE 20 18.271 1.586 -4.919 9 HA PHE 20 HA PHE 20 15.927 2.055 -3.465 10 HB2 PHE 20 HB2 PHE 20 14.966 2.949 -5.519 11 HB3 PHE 20 HB1 PHE 20 16.623 3.491 -5.339 12 HD1 PHE 20 HD2 PHE 20 18.408 2.424 -6.747 13 HD2 PHE 20 HD1 PHE 20 14.258 1.733 -7.389 14 HE1 PHE 20 HE2 PHE 20 18.899 1.607 -9.011 15 HE2 PHE 20 HE1 PHE 20 14.743 0.916 -9.659 16 HZ PHE 20 HZ PHE 20 17.064 0.854 -10.472 17 H VAL 21 HN VAL 21 13.865 1.201 -3.569 18 HA VAL 21 HA VAL 21 13.643 -1.438 -4.811 19 HB VAL 21 HB VAL 21 14.495 -1.982 -2.664 20 HG11 VAL 21 HG11 VAL 21 12.355 -0.232 -1.473 21 HG12 VAL 21 HG12 VAL 21 14.052 0.202 -1.648 22 HG13 VAL 21 HG13 VAL 21 13.591 -1.135 -0.593 23 HG21 VAL 21 HG21 VAL 21 12.508 -3.300 -3.454 24 HG22 VAL 21 HG22 VAL 21 11.514 -2.308 -2.383 25 HG23 VAL 21 HG23 VAL 21 12.781 -3.331 -1.711 26 H GLN 22 HN GLN 22 11.661 -1.990 -5.477 27 HA GLN 22 HA GLN 22 9.411 -0.259 -4.690 28 HB2 GLN 22 HB2 GLN 22 8.373 -1.213 -6.869 29 HB3 GLN 22 HB1 GLN 22 9.572 0.069 -6.985 30 HG2 GLN 22 HG2 GLN 22 10.643 -1.204 -8.440 31 HG3 GLN 22 HG1 GLN 22 11.070 -2.257 -7.095 32 HE21 GLN 22 HE21 GLN 22 8.360 -3.189 -6.673 33 HE22 GLN 22 HE22 GLN 22 7.997 -4.256 -7.982 34 H CYS 23 HN CYS 23 7.477 -1.238 -4.055 35 HA CYS 23 HA CYS 23 7.491 -4.132 -3.673 36 HB2 CYS 23 HB2 CYS 23 7.121 -3.788 -1.190 37 HB3 CYS 23 HB1 CYS 23 8.754 -3.472 -1.771 38 HG CYS 23 HG CYS 23 8.414 -1.514 0.047 39 H ASN 24 HN ASN 24 5.476 -5.002 -3.029 40 HA ASN 24 HA ASN 24 3.226 -3.491 -3.941 41 HB2 ASN 24 HB2 ASN 24 2.026 -5.609 -2.837 42 HB3 ASN 24 HB1 ASN 24 2.784 -5.674 -4.424 43 HD21 ASN 24 HD21 ASN 24 4.551 -6.918 -4.719 44 HD22 ASN 24 HD22 ASN 24 5.229 -7.950 -3.510 45 H HIS 25 HN HIS 25 2.624 -1.865 -2.770 46 HA HIS 25 HA HIS 25 2.712 -1.768 0.073 47 HB2 HIS 25 HB2 HIS 25 1.456 -0.041 -2.057 48 HB3 HIS 25 HB1 HIS 25 1.257 0.310 -0.347 49 HD1 HIS 25 HD1 HIS 25 4.419 -0.707 -2.227 50 HD2 HIS 25 HD2 HIS 25 2.900 2.418 0.060 51 HE1 HIS 25 HE1 HIS 25 6.322 0.908 -1.938 52 HE2 HIS 25 HE2 HIS 25 5.419 2.714 -0.440 53 H HIS 26 HN HIS 26 1.356 -2.806 1.383 54 HA HIS 26 HA HIS 26 -1.145 -3.809 0.274 55 HB2 HIS 26 HB2 HIS 26 0.197 -4.439 2.908 56 HB3 HIS 26 HB1 HIS 26 -1.266 -5.202 2.301 57 HD1 HIS 26 HD1 HIS 26 -0.425 -5.817 -0.577 58 HD2 HIS 26 HD2 HIS 26 2.004 -6.443 2.736 59 HE1 HIS 26 HE1 HIS 26 1.224 -7.580 -1.271 60 HE2 HIS 26 HE2 HIS 26 2.603 -8.034 0.788 61 H LEU 27 HN LEU 27 -3.036 -2.967 0.700 62 HA LEU 27 HA LEU 27 -3.330 -1.101 2.942 63 HB2 LEU 27 HB2 LEU 27 -4.132 -0.653 0.498 64 HB3 LEU 27 HB1 LEU 27 -5.451 -1.745 0.896 65 HG LEU 27 HG LEU 27 -6.053 0.651 1.114 66 HD11 LEU 27 HD11 LEU 27 -7.153 0.500 3.248 67 HD12 LEU 27 HD12 LEU 27 -6.053 -0.784 3.757 68 HD13 LEU 27 HD13 LEU 27 -7.207 -1.073 2.449 69 HD21 LEU 27 HD21 LEU 27 -3.887 1.502 1.832 70 HD22 LEU 27 HD22 LEU 27 -4.050 0.640 3.363 71 HD23 LEU 27 HD23 LEU 27 -5.158 1.955 2.967 72 H LEU 28 HN LEU 28 -4.427 -1.685 4.711 73 HA LEU 28 HA LEU 28 -5.305 -4.456 4.875 74 HB2 LEU 28 HB2 LEU 28 -3.913 -2.746 6.588 75 HB3 LEU 28 HB1 LEU 28 -5.500 -2.909 7.318 76 HG LEU 28 HG LEU 28 -3.933 -4.541 8.225 77 HD11 LEU 28 HD11 LEU 28 -5.251 -6.563 7.883 78 HD12 LEU 28 HD12 LEU 28 -6.055 -5.807 6.505 79 HD13 LEU 28 HD13 LEU 28 -6.277 -5.150 8.128 80 HD21 LEU 28 HD21 LEU 28 -2.406 -4.832 6.438 81 HD22 LEU 28 HD22 LEU 28 -3.677 -5.394 5.357 82 HD23 LEU 28 HD23 LEU 28 -3.166 -6.399 6.716 83 H TYR 29 HN TYR 29 -7.342 -4.988 4.788 84 HA TYR 29 HA TYR 29 -9.426 -2.947 5.032 85 HB2 TYR 29 HB2 TYR 29 -9.500 -4.412 3.051 86 HB3 TYR 29 HB1 TYR 29 -9.503 -5.836 4.087 87 HD1 TYR 29 HD2 TYR 29 -11.531 -6.336 5.466 88 HD2 TYR 29 HD1 TYR 29 -11.503 -3.254 2.537 89 HE1 TYR 29 HE2 TYR 29 -13.988 -6.324 5.468 90 HE2 TYR 29 HE1 TYR 29 -13.961 -3.235 2.528 91 HH TYR 29 HH TYR 29 -15.805 -4.399 4.861 92 H ASN 30 HN ASN 30 -11.144 -3.248 6.545 93 HA ASN 30 HA ASN 30 -10.417 -4.041 9.087 94 HB2 ASN 30 HB2 ASN 30 -12.393 -2.608 8.475 95 HB3 ASN 30 HB1 ASN 30 -13.244 -4.077 8.007 96 HD21 ASN 30 HD21 ASN 30 -11.083 -3.487 10.750 97 HD22 ASN 30 HD22 ASN 30 -12.257 -3.869 11.969 98 H GLY 31 HN GLY 31 -9.585 -6.032 9.410 99 HA2 GLY 31 HA2 GLY 31 -10.472 -8.328 9.992 100 HA3 GLY 31 HA1 GLY 31 -11.072 -8.341 8.339 101 H ARG 32 HN ARG 32 -9.272 -7.828 6.647 102 HA ARG 32 HA ARG 32 -6.719 -9.021 7.365 103 HB2 ARG 32 HB2 ARG 32 -8.628 -10.376 5.451 104 HB3 ARG 32 HB1 ARG 32 -6.918 -10.761 5.557 105 HG2 ARG 32 HG2 ARG 32 -8.894 -11.038 7.810 106 HG3 ARG 32 HG1 ARG 32 -8.339 -12.351 6.773 107 HD2 ARG 32 HD2 ARG 32 -6.088 -12.105 7.563 108 HD3 ARG 32 HD1 ARG 32 -6.515 -10.647 8.460 109 HE ARG 32 HE ARG 32 -8.166 -12.620 9.438 110 HH11 ARG 32 HH11 ARG 32 -4.696 -12.121 9.217 111 HH12 ARG 32 HH12 ARG 32 -4.352 -13.048 10.648 112 HH21 ARG 32 HH21 ARG 32 -7.711 -13.821 11.309 113 HH22 ARG 32 HH22 ARG 32 -6.068 -13.986 11.859 114 H HIS 33 HN HIS 33 -5.428 -9.429 5.220 115 HA HIS 33 HA HIS 33 -4.864 -7.035 3.960 116 HB2 HIS 33 HB2 HIS 33 -3.231 -8.720 3.886 117 HB3 HIS 33 HB1 HIS 33 -4.355 -9.914 3.257 118 HD1 HIS 33 HD1 HIS 33 -3.904 -10.483 0.930 119 HD2 HIS 33 HD2 HIS 33 -2.900 -6.529 1.750 120 HE1 HIS 33 HE1 HIS 33 -3.038 -9.539 -1.237 121 HE2 HIS 33 HE2 HIS 33 -2.615 -7.099 -0.760 122 H TRP 34 HN TRP 34 -5.645 -5.931 2.282 123 HA TRP 34 HA TRP 34 -7.615 -7.238 0.530 124 HB2 TRP 34 HB2 TRP 34 -9.050 -5.938 1.741 125 HB3 TRP 34 HB1 TRP 34 -7.820 -4.744 2.128 126 HD1 TRP 34 HD1 TRP 34 -8.085 -2.509 0.966 127 HE1 TRP 34 HE1 TRP 34 -9.359 -1.626 -1.080 128 HE3 TRP 34 HE3 TRP 34 -9.922 -6.935 -0.821 129 HZ2 TRP 34 HZ2 TRP 34 -10.929 -2.662 -3.183 130 HZ3 TRP 34 HZ3 TRP 34 -11.297 -6.898 -2.860 131 HH2 TRP 34 HH2 TRP 34 -11.790 -4.804 -4.014 132 H GLY 35 HN GLY 35 -5.567 -4.299 0.774 133 HA2 GLY 35 HA2 GLY 35 -5.602 -4.171 -2.169 134 HA3 GLY 35 HA1 GLY 35 -5.187 -2.850 -1.084 135 H THR 36 HN THR 36 -3.825 -3.903 -3.407 136 HA THR 36 HA THR 36 -1.201 -4.102 -2.246 137 HB THR 36 HB THR 36 -2.580 -6.257 -3.790 138 HG1 THR 36 HG1 THR 36 -0.984 -7.451 -2.374 139 HG21 THR 36 HG21 THR 36 -0.737 -5.428 -5.165 140 HG22 THR 36 HG22 THR 36 -0.577 -7.125 -4.698 141 HG23 THR 36 HG23 THR 36 0.396 -5.885 -3.893 142 H ILE 37 HN ILE 37 -0.430 -2.264 -3.200 143 HA ILE 37 HA ILE 37 -0.471 -2.236 -6.144 144 HB ILE 37 HB ILE 37 -0.334 0.187 -4.326 145 HG12 ILE 37 HG12 ILE 37 -2.355 0.892 -5.751 146 HG13 ILE 37 HG11 ILE 37 -2.439 -0.794 -6.260 147 HG21 ILE 37 HG21 ILE 37 -0.261 1.475 -6.451 148 HG22 ILE 37 HG22 ILE 37 -0.038 -0.049 -7.313 149 HG23 ILE 37 HG23 ILE 37 1.175 0.495 -6.157 150 HD11 ILE 37 HD11 ILE 37 -4.007 -0.361 -4.479 151 HD12 ILE 37 HD12 ILE 37 -2.710 0.235 -3.445 152 HD13 ILE 37 HD13 ILE 37 -2.751 -1.465 -3.917 153 H ARG 38 HN ARG 38 1.479 -2.807 -6.888 154 HA ARG 38 HA ARG 38 3.749 -2.725 -5.111 155 HB2 ARG 38 HB2 ARG 38 3.318 -4.608 -6.717 156 HB3 ARG 38 HB1 ARG 38 3.715 -3.506 -8.028 157 HG2 ARG 38 HG2 ARG 38 5.938 -3.518 -7.560 158 HG3 ARG 38 HG1 ARG 38 5.688 -3.789 -5.834 159 HD2 ARG 38 HD2 ARG 38 6.692 -5.742 -6.892 160 HD3 ARG 38 HD1 ARG 38 5.083 -6.110 -6.280 161 HE ARG 38 HE ARG 38 5.207 -5.346 -9.075 162 HH11 ARG 38 HH11 ARG 38 5.247 -7.997 -6.767 163 HH12 ARG 38 HH12 ARG 38 4.716 -9.169 -7.918 164 HH21 ARG 38 HH21 ARG 38 4.508 -6.899 -10.580 165 HH22 ARG 38 HH22 ARG 38 4.309 -8.557 -10.096 166 H LYS 39 HN LYS 39 4.333 -0.705 -4.709 167 HA LYS 39 HA LYS 39 4.859 1.121 -6.960 168 HB2 LYS 39 HB2 LYS 39 2.955 1.776 -5.514 169 HB3 LYS 39 HB1 LYS 39 4.025 1.776 -4.122 170 HG2 LYS 39 HG2 LYS 39 3.707 4.024 -4.788 171 HG3 LYS 39 HG1 LYS 39 5.350 3.572 -5.241 172 HD2 LYS 39 HD2 LYS 39 4.267 4.862 -7.014 173 HD3 LYS 39 HD1 LYS 39 4.625 3.219 -7.551 174 HE2 LYS 39 HE2 LYS 39 2.356 2.563 -7.328 175 HE3 LYS 39 HE1 LYS 39 1.942 4.041 -6.461 176 HZ1 LYS 39 HZ1 LYS 39 1.230 4.017 -8.821 177 HZ2 LYS 39 HZ2 LYS 39 2.857 3.980 -9.290 178 HZ3 LYS 39 HZ3 LYS 39 2.250 5.313 -8.435 179 H LYS 40 HN LYS 40 6.650 2.530 -6.726 180 HA LYS 40 HA LYS 40 8.917 1.283 -5.465 181 HB2 LYS 40 HB2 LYS 40 8.771 3.912 -6.946 182 HB3 LYS 40 HB1 LYS 40 10.208 2.939 -6.652 183 HG2 LYS 40 HG2 LYS 40 9.397 1.205 -8.103 184 HG3 LYS 40 HG1 LYS 40 7.859 2.044 -8.306 185 HD2 LYS 40 HD2 LYS 40 9.237 2.411 -10.247 186 HD3 LYS 40 HD1 LYS 40 9.064 3.924 -9.357 187 HE2 LYS 40 HE2 LYS 40 11.251 3.720 -8.440 188 HE3 LYS 40 HE1 LYS 40 11.416 2.073 -9.054 189 HZ1 LYS 40 HZ1 LYS 40 11.131 4.497 -10.755 190 HZ2 LYS 40 HZ2 LYS 40 11.413 2.911 -11.292 191 HZ3 LYS 40 HZ3 LYS 40 12.605 3.733 -10.404 192 H ALA 41 HN ALA 41 10.254 2.210 -3.884 193 HA ALA 41 HA ALA 41 8.952 3.669 -1.840 194 HB1 ALA 41 HB1 ALA 41 11.864 3.025 -2.274 195 HB2 ALA 41 HB2 ALA 41 10.711 2.169 -1.251 196 HB3 ALA 41 HB3 ALA 41 11.229 3.796 -0.821 197 H GLY 42 HN GLY 42 8.991 5.776 -1.293 198 HA2 GLY 42 HA2 GLY 42 9.739 8.019 -1.395 199 HA3 GLY 42 HA1 GLY 42 10.585 7.642 -2.888 200 H TRP 43 HN TRP 43 8.044 6.189 -3.736 201 HA TRP 43 HA TRP 43 6.754 8.558 -4.854 202 HB2 TRP 43 HB2 TRP 43 6.580 5.628 -5.593 203 HB3 TRP 43 HB1 TRP 43 5.649 6.897 -6.379 204 HD1 TRP 43 HD1 TRP 43 9.255 5.616 -6.045 205 HE1 TRP 43 HE1 TRP 43 10.636 6.541 -8.016 206 HE3 TRP 43 HE3 TRP 43 5.772 8.771 -8.056 207 HZ2 TRP 43 HZ2 TRP 43 10.286 8.370 -10.133 208 HZ3 TRP 43 HZ3 TRP 43 6.376 10.072 -10.055 209 HH2 TRP 43 HH2 TRP 43 8.587 9.874 -11.070 210 H ALA 44 HN ALA 44 4.758 9.174 -4.320 211 HA ALA 44 HA ALA 44 3.392 7.938 -2.144 212 HB1 ALA 44 HB1 ALA 44 3.313 10.350 -2.513 213 HB2 ALA 44 HB2 ALA 44 1.695 9.653 -2.530 214 HB3 ALA 44 HB3 ALA 44 2.478 10.094 -4.046 215 H VAL 45 HN VAL 45 1.804 6.449 -2.186 216 HA VAL 45 HA VAL 45 0.772 5.663 -4.830 217 HB VAL 45 HB VAL 45 2.240 3.947 -3.825 218 HG11 VAL 45 HG11 VAL 45 0.170 3.824 -1.639 219 HG12 VAL 45 HG12 VAL 45 1.822 4.410 -1.466 220 HG13 VAL 45 HG13 VAL 45 1.524 2.714 -1.846 221 HG21 VAL 45 HG21 VAL 45 0.691 2.059 -4.041 222 HG22 VAL 45 HG22 VAL 45 0.469 3.258 -5.315 223 HG23 VAL 45 HG23 VAL 45 -0.669 3.180 -3.970 224 H ARG 46 HN ARG 46 -1.404 5.259 -5.037 225 HA ARG 46 HA ARG 46 -3.032 6.313 -2.856 226 HB2 ARG 46 HB2 ARG 46 -4.627 6.921 -4.401 227 HB3 ARG 46 HB1 ARG 46 -3.169 7.064 -5.364 228 HG2 ARG 46 HG2 ARG 46 -5.097 4.747 -5.407 229 HG3 ARG 46 HG1 ARG 46 -4.979 6.025 -6.614 230 HD2 ARG 46 HD2 ARG 46 -2.586 5.283 -6.976 231 HD3 ARG 46 HD1 ARG 46 -2.962 3.873 -5.977 232 HE ARG 46 HE ARG 46 -4.845 4.215 -8.101 233 HH11 ARG 46 HH11 ARG 46 -1.660 3.035 -7.305 234 HH12 ARG 46 HH12 ARG 46 -1.586 1.907 -8.627 235 HH21 ARG 46 HH21 ARG 46 -4.777 2.733 -9.857 236 HH22 ARG 46 HH22 ARG 46 -3.376 1.712 -10.060 237 H PHE 47 HN PHE 47 -4.596 5.165 -1.844 238 HA PHE 47 HA PHE 47 -5.000 2.380 -2.712 239 HB2 PHE 47 HB2 PHE 47 -5.078 3.522 0.089 240 HB3 PHE 47 HB1 PHE 47 -5.543 1.877 -0.335 241 HD1 PHE 47 HD1 PHE 47 -3.767 0.417 -1.466 242 HD2 PHE 47 HD2 PHE 47 -2.884 4.014 0.627 243 HE1 PHE 47 HE1 PHE 47 -1.441 -0.323 -1.185 244 HE2 PHE 47 HE2 PHE 47 -0.557 3.276 0.912 245 HZ PHE 47 HZ PHE 47 0.167 1.109 0.006 246 H TYR 48 HN TYR 48 -7.106 1.686 -2.890 247 HA TYR 48 HA TYR 48 -9.221 3.596 -2.251 248 HB2 TYR 48 HB2 TYR 48 -10.098 3.413 -4.608 249 HB3 TYR 48 HB1 TYR 48 -8.599 4.323 -4.453 250 HD1 TYR 48 HD1 TYR 48 -6.473 3.351 -5.245 251 HD2 TYR 48 HD2 TYR 48 -10.182 1.360 -5.847 252 HE1 TYR 48 HE1 TYR 48 -5.420 1.916 -6.940 253 HE2 TYR 48 HE2 TYR 48 -9.135 -0.084 -7.541 254 HH TYR 48 HH TYR 48 -5.722 -0.173 -8.023 255 H GLU 49 HN GLU 49 -11.321 2.754 -2.463 256 HA GLU 49 HA GLU 49 -11.443 -0.138 -2.021 257 HB2 GLU 49 HB2 GLU 49 -13.714 0.344 -1.139 258 HB3 GLU 49 HB1 GLU 49 -12.464 1.249 -0.295 259 HG2 GLU 49 HG2 GLU 49 -13.010 3.246 -1.487 260 HG3 GLU 49 HG1 GLU 49 -14.111 2.362 -2.541 261 H GLU 50 HN GLU 50 -12.158 -1.425 -3.593 262 HA GLU 50 HA GLU 50 -14.075 -0.292 -5.494 263 HB2 GLU 50 HB2 GLU 50 -13.244 -2.024 -7.149 264 HB3 GLU 50 HB1 GLU 50 -12.177 -0.668 -6.831 265 HG2 GLU 50 HG2 GLU 50 -10.802 -2.058 -5.396 266 HG3 GLU 50 HG1 GLU 50 -11.903 -3.417 -5.634 267 H LYS 51 HN LYS 51 -15.924 -0.936 -4.776 268 HA LYS 51 HA LYS 51 -16.303 -3.768 -4.080 269 HB2 LYS 51 HB2 LYS 51 -17.539 -1.251 -2.966 270 HB3 LYS 51 HB1 LYS 51 -18.315 -2.819 -2.766 271 HG2 LYS 51 HG2 LYS 51 -16.513 -3.659 -1.494 272 HG3 LYS 51 HG1 LYS 51 -15.477 -2.300 -1.927 273 HD2 LYS 51 HD2 LYS 51 -18.029 -1.939 -0.376 274 HD3 LYS 51 HD1 LYS 51 -16.491 -2.299 0.410 275 HE2 LYS 51 HE2 LYS 51 -15.521 -0.308 -0.728 276 HE3 LYS 51 HE1 LYS 51 -17.133 0.082 -1.324 277 HZ1 LYS 51 HZ1 LYS 51 -17.891 0.524 0.826 278 HZ2 LYS 51 HZ2 LYS 51 -16.348 1.233 0.780 279 HZ3 LYS 51 HZ3 LYS 51 -16.579 -0.253 1.567 280 HA PRO 52 HA PRO 52 -18.961 -4.403 -7.468 281 HB2 PRO 52 HB2 PRO 52 -21.235 -5.417 -6.177 282 HB3 PRO 52 HB1 PRO 52 -19.858 -6.355 -6.756 283 HG2 PRO 52 HG2 PRO 52 -20.455 -5.360 -4.009 284 HG3 PRO 52 HG1 PRO 52 -19.677 -6.871 -4.517 285 HD2 PRO 52 HD2 PRO 52 -18.244 -4.849 -3.521 286 HD3 PRO 52 HD1 PRO 52 -17.619 -5.848 -4.853 287 H GLY 53 HN GLY 53 -19.753 -2.704 -8.486 288 HA2 GLY 53 HA2 GLY 53 -21.640 -1.423 -9.124 289 HA3 GLY 53 HA1 GLY 53 -22.237 -1.525 -7.476 290 H GLN 54 HN GLN 54 -19.332 -0.795 -6.671 291 HA GLN 54 HA GLN 54 -19.978 2.069 -6.659 292 HB2 GLN 54 HB2 GLN 54 -18.205 0.455 -4.826 293 HB3 GLN 54 HB1 GLN 54 -18.510 2.178 -4.678 294 HG2 GLN 54 HG2 GLN 54 -20.944 1.616 -4.417 295 HG3 GLN 54 HG1 GLN 54 -20.451 -0.077 -4.300 296 HE21 GLN 54 HE21 GLN 54 -18.516 2.541 -3.105 297 HE22 GLN 54 HE22 GLN 54 -18.719 2.214 -1.420 298 HA PRO 55 HA PRO 55 -16.158 3.078 -8.830 299 HB2 PRO 55 HB2 PRO 55 -16.450 5.705 -7.561 300 HB3 PRO 55 HB1 PRO 55 -16.501 5.287 -9.275 301 HG2 PRO 55 HG2 PRO 55 -18.692 6.085 -7.916 302 HG3 PRO 55 HG1 PRO 55 -18.779 4.919 -9.249 303 HD2 PRO 55 HD2 PRO 55 -18.825 4.433 -6.293 304 HD3 PRO 55 HD1 PRO 55 -19.792 3.672 -7.575 305 H LYS 56 HN LYS 56 -14.083 4.126 -8.148 306 HA LYS 56 HA LYS 56 -13.436 2.787 -5.641 307 HB2 LYS 56 HB2 LYS 56 -11.676 3.641 -7.938 308 HB3 LYS 56 HB1 LYS 56 -11.147 2.724 -6.531 309 HG2 LYS 56 HG2 LYS 56 -12.375 0.839 -7.140 310 HG3 LYS 56 HG1 LYS 56 -13.396 1.751 -8.251 311 HD2 LYS 56 HD2 LYS 56 -11.595 2.017 -9.784 312 HD3 LYS 56 HD1 LYS 56 -10.448 1.280 -8.653 313 HE2 LYS 56 HE2 LYS 56 -12.164 -0.716 -8.766 314 HE3 LYS 56 HE1 LYS 56 -12.585 0.022 -10.310 315 HZ1 LYS 56 HZ1 LYS 56 -10.931 -1.548 -10.781 316 HZ2 LYS 56 HZ2 LYS 56 -9.975 -1.080 -9.461 317 HZ3 LYS 56 HZ3 LYS 56 -10.125 -0.053 -10.808 318 H ARG 57 HN ARG 57 -13.293 3.944 -3.919 319 HA ARG 57 HA ARG 57 -12.690 6.810 -4.111 320 HB2 ARG 57 HB2 ARG 57 -14.793 6.353 -3.041 321 HB3 ARG 57 HB1 ARG 57 -14.054 5.155 -1.985 322 HG2 ARG 57 HG2 ARG 57 -12.741 6.942 -0.915 323 HG3 ARG 57 HG1 ARG 57 -13.554 8.128 -1.938 324 HD2 ARG 57 HD2 ARG 57 -14.551 7.977 0.306 325 HD3 ARG 57 HD1 ARG 57 -15.679 7.551 -0.978 326 HE ARG 57 HE ARG 57 -15.124 5.162 -0.394 327 HH11 ARG 57 HH11 ARG 57 -14.892 7.739 1.980 328 HH12 ARG 57 HH12 ARG 57 -15.171 6.681 3.326 329 HH21 ARG 57 HH21 ARG 57 -15.449 3.768 1.383 330 HH22 ARG 57 HH22 ARG 57 -15.487 4.429 2.997 331 H LEU 58 HN LEU 58 -11.133 7.766 -2.853 332 HA LEU 58 HA LEU 58 -8.846 6.209 -2.263 333 HB2 LEU 58 HB2 LEU 58 -9.624 9.058 -1.862 334 HB3 LEU 58 HB1 LEU 58 -8.224 8.443 -1.010 335 HG LEU 58 HG LEU 58 -8.611 8.487 -4.000 336 HD11 LEU 58 HD11 LEU 58 -6.735 10.023 -2.207 337 HD12 LEU 58 HD12 LEU 58 -8.135 10.679 -3.057 338 HD13 LEU 58 HD13 LEU 58 -6.754 10.076 -3.971 339 HD21 LEU 58 HD21 LEU 58 -7.363 6.560 -3.609 340 HD22 LEU 58 HD22 LEU 58 -6.504 7.274 -2.246 341 HD23 LEU 58 HD23 LEU 58 -6.133 7.795 -3.895 342 H VAL 59 HN VAL 59 -8.320 5.119 -0.532 343 HA VAL 59 HA VAL 59 -9.873 5.579 1.930 344 HB VAL 59 HB VAL 59 -9.423 3.271 2.567 345 HG11 VAL 59 HG11 VAL 59 -10.471 3.307 -0.252 346 HG12 VAL 59 HG12 VAL 59 -11.380 3.893 1.136 347 HG13 VAL 59 HG13 VAL 59 -10.901 2.200 1.052 348 HG21 VAL 59 HG21 VAL 59 -8.310 1.707 1.129 349 HG22 VAL 59 HG22 VAL 59 -7.237 3.081 1.403 350 HG23 VAL 59 HG23 VAL 59 -8.107 2.933 -0.123 351 H ALA 60 HN ALA 60 -6.775 5.602 0.505 352 HA ALA 60 HA ALA 60 -5.614 6.889 2.727 353 HB1 ALA 60 HB1 ALA 60 -4.619 4.094 2.210 354 HB2 ALA 60 HB2 ALA 60 -5.549 4.619 3.609 355 HB3 ALA 60 HB3 ALA 60 -3.932 5.257 3.345 356 H ILE 61 HN ILE 61 -3.885 8.030 2.126 357 HA ILE 61 HA ILE 61 -2.566 7.305 -0.412 358 HB ILE 61 HB ILE 61 -2.588 10.034 0.908 359 HG12 ILE 61 HG12 ILE 61 -3.816 10.594 -1.327 360 HG13 ILE 61 HG11 ILE 61 -4.195 8.878 -1.356 361 HG21 ILE 61 HG21 ILE 61 -1.560 9.252 -1.812 362 HG22 ILE 61 HG22 ILE 61 -0.546 9.389 -0.379 363 HG23 ILE 61 HG23 ILE 61 -1.385 10.812 -1.003 364 HD11 ILE 61 HD11 ILE 61 -5.049 10.953 0.621 365 HD12 ILE 61 HD12 ILE 61 -5.136 9.233 0.982 366 HD13 ILE 61 HD13 ILE 61 -6.049 9.894 -0.376 367 H CYS 62 HN CYS 62 -0.636 6.379 -0.074 368 HA CYS 62 HA CYS 62 0.761 7.043 2.422 369 HB2 CYS 62 HB2 CYS 62 -0.755 4.943 2.531 370 HB3 CYS 62 HB1 CYS 62 0.470 4.181 1.521 371 H LYS 63 HN LYS 63 3.003 6.269 2.446 372 HA LYS 63 HA LYS 63 4.172 5.377 -0.023 373 HB2 LYS 63 HB2 LYS 63 5.600 7.262 -0.429 374 HB3 LYS 63 HB1 LYS 63 3.949 7.861 -0.345 375 HG2 LYS 63 HG2 LYS 63 4.359 8.556 1.987 376 HG3 LYS 63 HG1 LYS 63 6.038 8.049 1.812 377 HD2 LYS 63 HD2 LYS 63 6.017 10.386 1.415 378 HD3 LYS 63 HD1 LYS 63 6.170 9.616 -0.167 379 HE2 LYS 63 HE2 LYS 63 3.760 9.891 -0.526 380 HE3 LYS 63 HE1 LYS 63 3.621 10.690 1.039 381 HZ1 LYS 63 HZ1 LYS 63 3.738 12.289 -0.770 382 HZ2 LYS 63 HZ2 LYS 63 5.236 11.657 -1.261 383 HZ3 LYS 63 HZ3 LYS 63 5.097 12.432 0.239 384 H ASN 64 HN ASN 64 6.546 5.093 0.258 385 HA ASN 64 HA ASN 64 7.011 3.964 2.879 386 HB2 ASN 64 HB2 ASN 64 7.682 2.688 0.890 387 HB3 ASN 64 HB1 ASN 64 8.763 3.991 0.406 388 HD21 ASN 64 HD21 ASN 64 10.705 4.247 1.416 389 HD22 ASN 64 HD22 ASN 64 11.369 3.056 2.497 390 H ALA 65 HN ALA 65 8.323 4.752 4.409 391 HA ALA 65 HA ALA 65 8.645 7.404 4.800 392 HB1 ALA 65 HB1 ALA 65 10.527 5.286 5.814 393 HB2 ALA 65 HB2 ALA 65 8.962 5.697 6.519 394 HB3 ALA 65 HB3 ALA 65 10.271 6.881 6.521 395 H SER 66 HN SER 66 11.286 5.314 3.645 396 HA SER 66 HA SER 66 12.804 7.677 2.874 397 HB2 SER 66 HB2 SER 66 13.576 4.748 2.901 398 HB3 SER 66 HB1 SER 66 14.664 6.087 2.527 399 HG SER 66 HG SER 66 14.669 6.703 4.587 400 HA PRO 67 HA PRO 67 11.831 6.984 -1.414 401 HB2 PRO 67 HB2 PRO 67 13.501 8.748 -2.523 402 HB3 PRO 67 HB1 PRO 67 12.142 9.276 -1.526 403 HG2 PRO 67 HG2 PRO 67 15.040 9.104 -0.842 404 HG3 PRO 67 HG1 PRO 67 13.843 10.319 -0.364 405 HD2 PRO 67 HD2 PRO 67 14.697 8.169 1.200 406 HD3 PRO 67 HD1 PRO 67 13.227 9.124 1.469 407 H VAL 68 HN VAL 68 14.353 5.640 0.053 408 HA VAL 68 HA VAL 68 15.576 4.709 -2.460 409 HB VAL 68 HB VAL 68 17.043 4.801 0.165 410 HG11 VAL 68 HG11 VAL 68 18.200 4.729 -2.601 411 HG12 VAL 68 HG12 VAL 68 17.674 3.262 -1.785 412 HG13 VAL 68 HG13 VAL 68 18.949 4.255 -1.071 413 HG21 VAL 68 HG21 VAL 68 18.209 6.795 -0.690 414 HG22 VAL 68 HG22 VAL 68 16.492 7.094 -0.428 415 HG23 VAL 68 HG23 VAL 68 17.101 6.840 -2.062 416 H HIS 69 HN HIS 69 15.771 3.663 0.943 417 HA HIS 69 HA HIS 69 15.217 0.922 0.055 418 HB2 HIS 69 HB2 HIS 69 16.047 1.871 2.808 419 HB3 HIS 69 HB1 HIS 69 16.019 0.210 2.229 420 HD1 HIS 69 HD1 HIS 69 18.531 1.910 3.333 421 HD2 HIS 69 HD2 HIS 69 17.703 0.898 -0.616 422 HE1 HIS 69 HE1 HIS 69 20.735 2.013 2.131 423 HE2 HIS 69 HE2 HIS 69 20.208 1.473 -0.272 424 H CYS 70 HN CYS 70 13.784 -0.397 1.504 425 HA CYS 70 HA CYS 70 11.359 1.167 2.011 426 HB2 CYS 70 HB2 CYS 70 11.264 -0.772 0.435 427 HB3 CYS 70 HB1 CYS 70 11.676 -1.833 1.776 428 HG CYS 70 HG CYS 70 9.067 0.043 2.547 429 H ASN 71 HN ASN 71 10.650 1.507 4.003 430 HA ASN 71 HA ASN 71 11.813 -0.091 6.196 431 HB2 ASN 71 HB2 ASN 71 11.001 2.825 6.345 432 HB3 ASN 71 HB1 ASN 71 11.732 1.879 7.633 433 HD21 ASN 71 HD21 ASN 71 12.606 4.351 6.443 434 HD22 ASN 71 HD22 ASN 71 14.186 4.073 5.797 435 H TYR 72 HN TYR 72 9.324 2.401 6.200 436 HA TYR 72 HA TYR 72 7.247 0.403 6.672 437 HB2 TYR 72 HB2 TYR 72 7.767 2.801 8.441 438 HB3 TYR 72 HB1 TYR 72 6.317 1.810 8.514 439 HD1 TYR 72 HD2 TYR 72 6.725 -0.746 8.896 440 HD2 TYR 72 HD1 TYR 72 9.552 2.293 9.839 441 HE1 TYR 72 HE2 TYR 72 7.825 -2.271 10.475 442 HE2 TYR 72 HE1 TYR 72 10.667 0.770 11.418 443 HH TYR 72 HH TYR 72 9.971 -1.282 12.800 444 H LEU 73 HN LEU 73 5.064 1.739 6.871 445 HA LEU 73 HA LEU 73 5.032 3.423 4.459 446 HB2 LEU 73 HB2 LEU 73 2.922 1.646 5.672 447 HB3 LEU 73 HB1 LEU 73 2.579 2.798 4.396 448 HG LEU 73 HG LEU 73 4.289 0.331 4.250 449 HD11 LEU 73 HD11 LEU 73 2.740 -0.142 2.341 450 HD12 LEU 73 HD12 LEU 73 1.796 1.269 2.833 451 HD13 LEU 73 HD13 LEU 73 1.969 -0.107 3.926 452 HD21 LEU 73 HD21 LEU 73 5.569 1.957 3.104 453 HD22 LEU 73 HD22 LEU 73 4.139 2.662 2.355 454 HD23 LEU 73 HD23 LEU 73 4.691 1.058 1.864 455 H LYS 74 HN LYS 74 4.671 5.494 4.750 456 HA LYS 74 HA LYS 74 3.353 6.389 7.220 457 HB2 LYS 74 HB2 LYS 74 4.825 8.048 5.160 458 HB3 LYS 74 HB1 LYS 74 4.291 8.577 6.744 459 HG2 LYS 74 HG2 LYS 74 6.363 6.438 6.304 460 HG3 LYS 74 HG1 LYS 74 6.739 8.142 6.543 461 HD2 LYS 74 HD2 LYS 74 6.997 7.236 8.666 462 HD3 LYS 74 HD1 LYS 74 5.365 7.910 8.719 463 HE2 LYS 74 HE2 LYS 74 4.523 5.612 8.123 464 HE3 LYS 74 HE1 LYS 74 6.166 5.023 8.372 465 HZ1 LYS 74 HZ1 LYS 74 4.882 4.687 10.346 466 HZ2 LYS 74 HZ2 LYS 74 4.417 6.319 10.391 467 HZ3 LYS 74 HZ3 LYS 74 6.037 5.893 10.662 468 H CYS 75 HN CYS 75 1.186 6.443 6.924 469 HA CYS 75 HA CYS 75 0.186 7.146 4.255 470 HB2 CYS 75 HB2 CYS 75 -1.317 5.798 6.491 471 HB3 CYS 75 HB1 CYS 75 -1.787 5.907 4.801 472 H THR 76 HN THR 76 -1.499 8.584 3.966 473 HA THR 76 HA THR 76 -2.445 10.032 6.334 474 HB THR 76 HB THR 76 -0.765 11.433 5.134 475 HG1 THR 76 HG1 THR 76 -2.724 13.077 4.546 476 HG21 THR 76 HG21 THR 76 -2.751 11.330 2.864 477 HG22 THR 76 HG22 THR 76 -1.143 10.602 2.863 478 HG23 THR 76 HG23 THR 76 -1.316 12.355 2.937 479 H ASN 77 HN ASN 77 -4.538 11.017 6.032 480 HA ASN 77 HA ASN 77 -6.749 10.857 5.569 481 HB2 ASN 77 HB2 ASN 77 -6.009 11.917 3.462 482 HB3 ASN 77 HB1 ASN 77 -5.814 10.327 2.742 483 HD21 ASN 77 HD21 ASN 77 -7.322 10.758 1.148 484 HD22 ASN 77 HD22 ASN 77 -9.018 10.818 1.469 485 H LEU 78 HN LEU 78 -6.790 8.945 6.867 486 HA LEU 78 HA LEU 78 -6.979 6.408 5.420 487 HB2 LEU 78 HB2 LEU 78 -7.068 7.001 8.383 488 HB3 LEU 78 HB1 LEU 78 -7.129 5.398 7.677 489 HG LEU 78 HG LEU 78 -4.800 7.303 7.410 490 HD11 LEU 78 HD11 LEU 78 -5.118 4.861 9.152 491 HD12 LEU 78 HD12 LEU 78 -5.094 6.535 9.712 492 HD13 LEU 78 HD13 LEU 78 -3.656 5.832 8.973 493 HD21 LEU 78 HD21 LEU 78 -3.617 5.377 6.510 494 HD22 LEU 78 HD22 LEU 78 -5.044 5.731 5.536 495 HD23 LEU 78 HD23 LEU 78 -5.066 4.388 6.676 496 H ALA 79 HN ALA 79 -8.847 5.276 5.175 497 HA ALA 79 HA ALA 79 -11.285 6.805 5.587 498 HB1 ALA 79 HB1 ALA 79 -12.363 5.079 4.198 499 HB2 ALA 79 HB2 ALA 79 -10.837 4.196 4.129 500 HB3 ALA 79 HB3 ALA 79 -10.962 5.800 3.409 501 H ALA 80 HN ALA 80 -11.296 6.648 7.869 502 HA ALA 80 HA ALA 80 -12.053 5.879 9.855 503 HB1 ALA 80 HB1 ALA 80 -13.871 4.268 9.875 504 HB2 ALA 80 HB2 ALA 80 -13.541 3.850 8.194 505 HB3 ALA 80 HB3 ALA 80 -14.110 5.467 8.604 506 H GLY 81 HN GLY 81 -12.304 2.613 8.636 507 HA2 GLY 81 HA2 GLY 81 -10.163 1.847 10.496 508 HA3 GLY 81 HA1 GLY 81 -11.427 0.787 9.892 509 H PHE 82 HN PHE 82 -10.581 2.400 7.242 510 HA PHE 82 HA PHE 82 -8.900 0.241 6.307 511 HB2 PHE 82 HB2 PHE 82 -9.892 2.697 4.843 512 HB3 PHE 82 HB1 PHE 82 -9.118 1.297 4.106 513 HD1 PHE 82 HD2 PHE 82 -10.356 -1.002 5.104 514 HD2 PHE 82 HD1 PHE 82 -12.128 2.802 4.384 515 HE1 PHE 82 HE2 PHE 82 -12.554 -2.075 4.855 516 HE2 PHE 82 HE1 PHE 82 -14.330 1.731 4.135 517 HZ PHE 82 HZ PHE 82 -14.545 -0.712 4.371 518 H SER 83 HN SER 83 -6.815 0.268 6.627 519 HA SER 83 HA SER 83 -5.287 2.730 6.217 520 HB2 SER 83 HB2 SER 83 -4.868 0.958 8.641 521 HB3 SER 83 HB1 SER 83 -4.076 2.491 8.290 522 HG SER 83 HG SER 83 -6.601 3.055 8.235 523 H ALA 84 HN ALA 84 -2.874 2.128 6.132 524 HA ALA 84 HA ALA 84 -2.682 -0.276 4.501 525 HB1 ALA 84 HB1 ALA 84 -0.468 0.581 3.867 526 HB2 ALA 84 HB2 ALA 84 -0.669 1.920 4.999 527 HB3 ALA 84 HB3 ALA 84 -1.737 1.775 3.602 528 H GLY 85 HN GLY 85 -0.660 -1.624 4.749 529 HA2 GLY 85 HA2 GLY 85 -0.298 -2.124 7.641 530 HA3 GLY 85 HA1 GLY 85 -0.570 -3.412 6.483 531 H THR 86 HN THR 86 1.157 -3.228 4.562 532 HA THR 86 HA THR 86 3.777 -2.417 5.179 533 HB THR 86 HB THR 86 3.530 -4.128 6.982 534 HG1 THR 86 HG1 THR 86 5.555 -4.809 6.695 535 HG21 THR 86 HG21 THR 86 2.022 -5.675 5.834 536 HG22 THR 86 HG22 THR 86 3.473 -6.504 6.396 537 HG23 THR 86 HG23 THR 86 3.304 -6.085 4.691 538 H SER 87 HN SER 87 5.273 -4.355 3.893 539 HA SER 87 HA SER 87 3.890 -4.886 1.349 540 HB2 SER 87 HB2 SER 87 6.671 -3.699 1.569 541 HB3 SER 87 HB1 SER 87 5.804 -4.069 0.078 542 HG SER 87 HG SER 87 5.310 -2.038 1.968 543 H THR 88 HN THR 88 4.635 -6.743 0.242 544 HA THR 88 HA THR 88 6.682 -8.377 1.575 545 HB THR 88 HB THR 88 5.217 -10.373 1.483 546 HG1 THR 88 HG1 THR 88 3.278 -10.247 0.646 547 HG21 THR 88 HG21 THR 88 4.272 -8.065 3.178 548 HG22 THR 88 HG22 THR 88 5.458 -9.296 3.608 549 HG23 THR 88 HG23 THR 88 3.760 -9.734 3.422 550 H ASP 89 HN ASP 89 5.950 -10.721 0.060 551 HA ASP 89 HA ASP 89 6.066 -11.760 -1.928 552 HB2 ASP 89 HB2 ASP 89 4.164 -10.393 -2.573 553 HB3 ASP 89 HB1 ASP 89 5.238 -9.087 -3.060 554 H VAL 90 HN VAL 90 7.281 -8.525 -2.848 555 HA VAL 90 HA VAL 90 9.439 -9.763 -4.277 556 HB VAL 90 HB VAL 90 10.142 -7.336 -4.659 557 HG11 VAL 90 HG11 VAL 90 8.341 -6.982 -6.304 558 HG12 VAL 90 HG12 VAL 90 7.419 -8.281 -5.549 559 HG13 VAL 90 HG13 VAL 90 8.958 -8.634 -6.331 560 HG21 VAL 90 HG21 VAL 90 7.573 -6.964 -3.153 561 HG22 VAL 90 HG22 VAL 90 8.118 -5.782 -4.336 562 HG23 VAL 90 HG23 VAL 90 9.118 -6.141 -2.928 563 H LEU 91 HN LEU 91 9.121 -7.833 -1.321 564 HA LEU 91 HA LEU 91 11.985 -8.009 -0.866 565 HB2 LEU 91 HB2 LEU 91 11.646 -6.509 0.987 566 HB3 LEU 91 HB1 LEU 91 10.874 -5.886 -0.454 567 HG LEU 91 HG LEU 91 8.730 -7.013 0.600 568 HD11 LEU 91 HD11 LEU 91 8.885 -6.569 3.125 569 HD12 LEU 91 HD12 LEU 91 10.631 -6.709 2.886 570 HD13 LEU 91 HD13 LEU 91 9.576 -8.064 2.494 571 HD21 LEU 91 HD21 LEU 91 8.214 -4.870 1.660 572 HD22 LEU 91 HD22 LEU 91 8.977 -4.650 0.086 573 HD23 LEU 91 HD23 LEU 91 9.914 -4.413 1.561 574 H SER 92 HN SER 92 9.028 -9.409 0.358 575 HA SER 92 HA SER 92 10.467 -10.692 2.544 576 HB2 SER 92 HB2 SER 92 8.240 -9.655 2.962 577 HB3 SER 92 HB1 SER 92 7.519 -10.842 1.878 578 HG SER 92 HG SER 92 9.032 -11.507 4.191 579 H SER 93 HN SER 93 9.438 -11.329 -0.621 580 HA SER 93 HA SER 93 9.753 -13.076 -2.009 581 HB2 SER 93 HB2 SER 93 11.942 -13.285 -0.833 582 HB3 SER 93 HB1 SER 93 11.192 -14.423 0.284 583 HG SER 93 HG SER 93 12.373 -15.259 -1.654 584 H GLY 94 HN GLY 94 9.535 -14.999 0.977 585 HA2 GLY 94 HA2 GLY 94 7.503 -16.641 -0.260 586 HA3 GLY 94 HA1 GLY 94 8.240 -16.894 1.315 587 H THR 95 HN THR 95 6.074 -14.613 -0.333 588 HA THR 95 HA THR 95 4.253 -14.778 1.956 589 HB THR 95 HB THR 95 3.991 -12.152 1.376 590 HG1 THR 95 HG1 THR 95 6.679 -12.902 0.872 591 HG21 THR 95 HG21 THR 95 6.118 -13.024 3.296 592 HG22 THR 95 HG22 THR 95 4.422 -13.388 3.595 593 HG23 THR 95 HG23 THR 95 4.955 -11.712 3.461 594 H VAL 96 HN VAL 96 2.116 -14.715 1.375 595 HA VAL 96 HA VAL 96 1.467 -14.964 -1.400 596 HB VAL 96 HB VAL 96 -0.342 -14.722 1.011 597 HG11 VAL 96 HG11 VAL 96 -1.006 -15.595 -1.800 598 HG12 VAL 96 HG12 VAL 96 -1.503 -14.081 -1.046 599 HG13 VAL 96 HG13 VAL 96 -2.104 -15.615 -0.419 600 HG21 VAL 96 HG21 VAL 96 1.067 -16.687 1.114 601 HG22 VAL 96 HG22 VAL 96 0.619 -17.125 -0.535 602 HG23 VAL 96 HG23 VAL 96 -0.593 -17.160 0.747 603 H GLY 97 HN GLY 97 1.182 -13.358 -2.775 604 HA2 GLY 97 HA2 GLY 97 -0.472 -11.125 -2.277 605 HA3 GLY 97 HA1 GLY 97 1.215 -10.652 -2.128 606 H SER 98 HN SER 98 0.965 -9.279 -3.947 607 HA SER 98 HA SER 98 1.566 -10.542 -6.432 608 HB2 SER 98 HB2 SER 98 -1.046 -9.023 -6.155 609 HB3 SER 98 HB1 SER 98 -0.316 -9.483 -7.693 610 HG SER 98 HG SER 98 -0.456 -11.625 -6.083
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