NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
589792 | 2n17 | 18896 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H CYS 18 H CYS 18 18.162 1.619 -0.869 2 HA CYS 18 HA CYS 18 15.343 1.284 -1.147 3 HB2 CYS 18 HB3 CYS 18 16.882 0.668 -3.664 4 HB3 CYS 18 HB2 CYS 18 15.145 0.766 -3.434 5 H GLN 19 H GLN 19 14.897 -0.683 -0.662 6 HA GLN 19 HA GLN 19 16.852 -2.797 -1.046 7 HB2 GLN 19 HB3 GLN 19 15.965 -3.666 1.262 8 HB3 GLN 19 HB2 GLN 19 17.166 -2.377 1.202 9 HG2 GLN 19 HG3 GLN 19 15.838 -1.353 2.680 10 HG3 GLN 19 HG2 GLN 19 14.899 -0.913 1.262 11 HE21 GLN 19 HE22 GLN 19 15.042 -2.766 4.131 12 HE22 GLN 19 HE21 GLN 19 13.426 -3.358 4.081 13 H LEU 20 H LEU 20 15.981 -3.937 -2.541 14 HA LEU 20 HA LEU 20 13.109 -4.333 -2.657 15 HB2 LEU 20 HB3 LEU 20 14.505 -3.368 -4.581 16 HB3 LEU 20 HB2 LEU 20 15.072 -4.997 -4.840 17 HG LEU 20 HG LEU 20 13.171 -4.082 -6.336 18 HD11 LEU 20 HD11 LEU 20 12.866 -6.768 -5.015 19 HD12 LEU 20 HD12 LEU 20 13.891 -6.387 -6.399 20 HD13 LEU 20 HD13 LEU 20 12.137 -6.280 -6.545 21 HD21 LEU 20 HD21 LEU 20 11.790 -3.295 -4.360 22 HD22 LEU 20 HD22 LEU 20 11.396 -4.993 -4.086 23 HD23 LEU 20 HD23 LEU 20 10.939 -4.215 -5.602 24 H PHE 21 H PHE 21 12.651 -5.895 -1.374 25 HA PHE 21 HA PHE 21 13.144 -8.602 -2.313 26 HB2 PHE 21 HB3 PHE 21 13.508 -9.521 -0.047 27 HB3 PHE 21 HB2 PHE 21 14.781 -8.407 -0.502 28 HD1 PHE 21 HD1 PHE 21 14.771 -6.080 0.520 29 HD2 PHE 21 HD2 PHE 21 12.287 -9.239 1.934 30 HE1 PHE 21 HE1 PHE 21 14.486 -4.901 2.659 31 HE2 PHE 21 HE2 PHE 21 11.996 -8.057 4.069 32 HZ PHE 21 HZ PHE 21 13.097 -5.886 4.434 33 H CYS 22 H CYS 22 11.141 -8.881 -3.071 34 HA CYS 22 HA CYS 22 8.863 -8.020 -1.455 35 HB2 CYS 22 HB3 CYS 22 8.912 -8.856 -4.348 36 HB3 CYS 22 HB2 CYS 22 7.540 -8.175 -3.488 37 HA PRO 23 HA PRO 23 7.973 -12.440 -0.717 38 HB2 PRO 23 HB3 PRO 23 6.188 -11.671 1.397 39 HB3 PRO 23 HB2 PRO 23 7.787 -12.403 1.554 40 HG2 PRO 23 HG3 PRO 23 7.168 -9.838 2.355 41 HG3 PRO 23 HG2 PRO 23 8.801 -10.419 1.984 42 HD2 PRO 23 HD3 PRO 23 6.959 -8.768 0.306 43 HD3 PRO 23 HD2 PRO 23 8.729 -8.713 0.457 44 H MET 24 H MET 24 6.026 -13.731 -1.042 45 HA MET 24 HA MET 24 3.964 -12.266 -2.502 46 HB2 MET 24 HB3 MET 24 4.683 -15.182 -2.316 47 HB3 MET 24 HB2 MET 24 3.152 -14.672 -3.013 48 HG2 MET 24 HG3 MET 24 4.339 -13.359 -4.689 49 HG3 MET 24 HG2 MET 24 5.880 -13.834 -3.980 50 HE1 MET 24 HE1 MET 24 6.516 -17.355 -5.188 51 HE2 MET 24 HE2 MET 24 6.244 -16.697 -3.575 52 HE3 MET 24 HE3 MET 24 7.215 -15.798 -4.741 53 H ILE 25 H ILE 25 2.821 -11.262 -0.913 54 HA ILE 25 HA ILE 25 0.773 -12.850 0.375 55 HB ILE 25 HB ILE 25 2.668 -12.755 2.057 56 HG12 ILE 25 HG13 ILE 25 1.001 -11.638 3.886 57 HG13 ILE 25 HG12 ILE 25 -0.125 -11.940 2.568 58 HG21 ILE 25 HG21 ILE 25 3.198 -10.783 3.272 59 HG22 ILE 25 HG22 ILE 25 1.961 -9.857 2.426 60 HG23 ILE 25 HG23 ILE 25 3.388 -10.420 1.556 61 HD11 ILE 25 HD11 ILE 25 0.503 -14.293 2.562 62 HD12 ILE 25 HD12 ILE 25 -0.077 -13.787 4.149 63 HD13 ILE 25 HD13 ILE 25 1.652 -13.995 3.867 64 H TYR 26 H TYR 26 -1.105 -11.548 0.973 65 HA TYR 26 HA TYR 26 -1.086 -8.938 -0.380 66 HB2 TYR 26 HB3 TYR 26 -2.670 -10.659 -1.184 67 HB3 TYR 26 HB2 TYR 26 -3.511 -10.592 0.351 68 HD1 TYR 26 HD2 TYR 26 -2.864 -8.888 -2.831 69 HD2 TYR 26 HD1 TYR 26 -4.912 -8.652 0.894 70 HE1 TYR 26 HE2 TYR 26 -4.255 -7.065 -3.718 71 HE2 TYR 26 HE1 TYR 26 -6.310 -6.829 0.013 72 HH TYR 26 HH TYR 26 -6.199 -5.111 -1.751 73 H ALA 27 H ALA 27 -0.440 -7.588 0.993 74 HA ALA 27 HA ALA 27 -1.954 -7.117 3.469 75 HB1 ALA 27 HB1 ALA 27 1.052 -6.949 3.271 76 HB2 ALA 27 HB2 ALA 27 0.143 -8.220 4.089 77 HB3 ALA 27 HB3 ALA 27 0.078 -6.563 4.690 78 HA PRO 28 HA PRO 28 -1.929 -3.048 1.321 79 HB2 PRO 28 HB3 PRO 28 -4.042 -2.284 3.198 80 HB3 PRO 28 HB2 PRO 28 -4.116 -2.408 1.436 81 HG2 PRO 28 HG3 PRO 28 -5.430 -4.134 3.029 82 HG3 PRO 28 HG2 PRO 28 -4.739 -4.623 1.468 83 HD2 PRO 28 HD3 PRO 28 -3.635 -5.045 4.226 84 HD3 PRO 28 HD2 PRO 28 -3.728 -6.177 2.858 85 H ILE 29 H ILE 29 -0.710 -1.316 1.825 86 HA ILE 29 HA ILE 29 -0.301 -0.662 4.664 87 HB ILE 29 HB ILE 29 1.691 -1.786 3.750 88 HG12 ILE 29 HG13 ILE 29 2.819 0.925 3.985 89 HG13 ILE 29 HG12 ILE 29 1.701 0.503 5.271 90 HG21 ILE 29 HG21 ILE 29 1.696 -1.319 1.447 91 HG22 ILE 29 HG22 ILE 29 3.127 -0.507 2.082 92 HG23 ILE 29 HG23 ILE 29 1.678 0.425 1.714 93 HD11 ILE 29 HD11 ILE 29 3.087 -1.598 5.588 94 HD12 ILE 29 HD12 ILE 29 3.838 -0.074 6.052 95 HD13 ILE 29 HD13 ILE 29 4.277 -0.843 4.529 96 H CYS 30 H CYS 30 -0.226 1.461 5.311 97 HA CYS 30 HA CYS 30 -1.077 3.447 3.292 98 HB2 CYS 30 HB3 CYS 30 -2.388 2.806 5.518 99 HB3 CYS 30 HB2 CYS 30 -1.264 3.955 6.235 100 H ALA 31 H ALA 31 0.124 5.218 2.894 101 HA ALA 31 HA ALA 31 2.335 5.962 4.638 102 HB1 ALA 31 HB1 ALA 31 3.317 4.434 2.997 103 HB2 ALA 31 HB2 ALA 31 3.921 6.079 2.792 104 HB3 ALA 31 HB3 ALA 31 2.700 5.442 1.688 105 H THR 32 H THR 32 2.634 8.132 4.720 106 HA THR 32 HA THR 32 1.067 9.768 2.839 107 HB THR 32 HB THR 32 -0.154 9.804 4.926 108 HG1 THR 32 HG1 THR 32 0.103 11.802 3.733 109 HG21 THR 32 HG21 THR 32 0.720 10.597 7.033 110 HG22 THR 32 HG22 THR 32 2.298 10.903 6.309 111 HG23 THR 32 HG23 THR 32 1.717 9.249 6.484 112 H ASP 33 H ASP 33 2.059 11.386 1.898 113 HA ASP 33 HA ASP 33 4.714 12.188 2.919 114 HB2 ASP 33 HB3 ASP 33 5.161 13.015 0.570 115 HB3 ASP 33 HB2 ASP 33 5.007 11.289 0.754 116 H GLY 34 H GLY 34 2.422 13.232 4.096 117 HA2 GLY 34 HA3 GLY 34 2.002 15.387 4.987 118 HA3 GLY 34 HA2 GLY 34 2.781 16.102 3.582 119 H VAL 35 H VAL 35 1.333 14.529 1.686 120 HA VAL 35 HA VAL 35 -1.194 15.976 1.567 121 HB VAL 35 HB VAL 35 -1.233 14.968 -0.779 122 HG11 VAL 35 HG11 VAL 35 -0.755 17.304 -0.392 123 HG12 VAL 35 HG12 VAL 35 0.264 16.683 -1.690 124 HG13 VAL 35 HG13 VAL 35 0.937 16.923 -0.077 125 HG21 VAL 35 HG21 VAL 35 0.503 13.239 -0.323 126 HG22 VAL 35 HG22 VAL 35 1.700 14.536 -0.320 127 HG23 VAL 35 HG23 VAL 35 0.779 14.192 -1.785 128 H SER 36 H SER 36 -3.096 14.602 0.526 129 HA SER 36 HA SER 36 -3.871 12.611 2.313 130 HB2 SER 36 HB3 SER 36 -5.552 11.937 0.544 131 HB3 SER 36 HB2 SER 36 -5.547 13.658 0.924 132 HG SER 36 HG SER 36 -5.465 13.698 -1.219 133 H GLN 37 H GLN 37 -3.476 10.538 2.527 134 HA GLN 37 HA GLN 37 -1.216 9.439 1.154 135 HB2 GLN 37 HB3 GLN 37 -1.828 7.479 2.825 136 HB3 GLN 37 HB2 GLN 37 -0.971 8.905 3.328 137 HG2 GLN 37 HG3 GLN 37 -3.914 8.942 3.521 138 HG3 GLN 37 HG2 GLN 37 -3.036 7.923 4.650 139 HE21 GLN 37 HE22 GLN 37 -2.022 11.041 3.319 140 HE22 GLN 37 HE21 GLN 37 -1.984 11.875 4.818 141 H ARG 38 H ARG 38 -1.038 7.237 0.596 142 HA ARG 38 HA ARG 38 -3.398 6.182 -0.821 143 HB2 ARG 38 HB3 ARG 38 -1.368 7.324 -2.133 144 HB3 ARG 38 HB2 ARG 38 -0.693 5.711 -1.972 145 HG2 ARG 38 HG3 ARG 38 -2.810 4.841 -2.966 146 HG3 ARG 38 HG2 ARG 38 -3.259 6.506 -3.323 147 HD2 ARG 38 HD3 ARG 38 -2.281 5.783 -5.314 148 HD3 ARG 38 HD2 ARG 38 -0.967 6.634 -4.504 149 HE ARG 38 HE ARG 38 -0.699 4.017 -3.732 150 HH11 ARG 38 HH12 ARG 38 -0.732 5.663 -6.842 151 HH12 ARG 38 HH11 ARG 38 0.300 4.495 -7.596 152 HH21 ARG 38 HH21 ARG 38 0.651 2.507 -4.747 153 HH22 ARG 38 HH22 ARG 38 1.081 2.713 -6.412 154 H THR 39 H THR 39 -3.432 3.917 -1.160 155 HA THR 39 HA THR 39 -1.867 2.396 0.822 156 HB THR 39 HB THR 39 -4.343 1.146 -0.210 157 HG1 THR 39 HG1 THR 39 -5.550 2.826 0.240 158 HG21 THR 39 HG21 THR 39 -4.598 0.493 2.132 159 HG22 THR 39 HG22 THR 39 -3.248 1.534 2.580 160 HG23 THR 39 HG23 THR 39 -2.973 0.125 1.557 161 H PHE 40 H PHE 40 -0.594 0.827 0.142 162 HA PHE 40 HA PHE 40 -0.626 0.045 -2.691 163 HB2 PHE 40 HB3 PHE 40 1.503 -0.164 -0.554 164 HB3 PHE 40 HB2 PHE 40 1.657 -0.914 -2.125 165 HD1 PHE 40 HD1 PHE 40 1.028 2.448 -0.597 166 HD2 PHE 40 HD2 PHE 40 2.738 0.232 -3.811 167 HE1 PHE 40 HE1 PHE 40 2.033 4.509 -1.484 168 HE2 PHE 40 HE2 PHE 40 3.741 2.294 -4.697 169 HZ PHE 40 HZ PHE 40 3.391 4.433 -3.534 170 H SER 41 H SER 41 0.144 -2.307 -3.062 171 HA SER 41 HA SER 41 -1.701 -4.073 -1.719 172 HB2 SER 41 HB3 SER 41 -1.218 -4.101 -4.205 173 HB3 SER 41 HB2 SER 41 0.349 -4.809 -3.816 174 HG SER 41 HG SER 41 -0.701 -6.627 -3.868 175 H ASN 42 H ASN 42 1.636 -3.258 -1.373 176 HA ASN 42 HA ASN 42 1.995 -4.895 0.914 177 HB2 ASN 42 HB3 ASN 42 2.374 -6.418 -1.318 178 HB3 ASN 42 HB2 ASN 42 3.999 -5.772 -1.109 179 HD21 ASN 42 HD22 ASN 42 1.416 -7.532 0.498 180 HD22 ASN 42 HD21 ASN 42 2.442 -8.424 1.565 181 HA PRO 43 HA PRO 43 5.080 -1.755 1.873 182 HB2 PRO 43 HB3 PRO 43 6.798 -3.993 2.856 183 HB3 PRO 43 HB2 PRO 43 6.361 -2.476 3.659 184 HG2 PRO 43 HG3 PRO 43 5.176 -4.700 4.403 185 HG3 PRO 43 HG2 PRO 43 4.222 -3.215 4.204 186 HD2 PRO 43 HD3 PRO 43 4.417 -5.585 2.390 187 HD3 PRO 43 HD2 PRO 43 3.003 -4.603 2.821 188 H CYS 44 H CYS 44 6.284 -4.661 0.176 189 HA CYS 44 HA CYS 44 8.747 -3.454 -0.657 190 HB2 CYS 44 HB3 CYS 44 8.334 -5.934 -0.454 191 HB3 CYS 44 HB2 CYS 44 7.401 -5.826 -1.944 192 H ASP 45 H ASP 45 5.535 -3.673 -2.044 193 HA ASP 45 HA ASP 45 6.180 -2.808 -4.685 194 HB2 ASP 45 HB3 ASP 45 3.603 -2.909 -3.120 195 HB3 ASP 45 HB2 ASP 45 3.673 -2.265 -4.757 196 H LEU 46 H LEU 46 5.694 -1.191 -1.683 197 HA LEU 46 HA LEU 46 5.098 1.417 -2.658 198 HB2 LEU 46 HB3 LEU 46 4.322 0.654 -0.503 199 HB3 LEU 46 HB2 LEU 46 5.947 0.297 0.013 200 HG LEU 46 HG LEU 46 5.630 3.054 -0.762 201 HD11 LEU 46 HD11 LEU 46 4.031 2.081 1.586 202 HD12 LEU 46 HD12 LEU 46 3.368 2.719 0.080 203 HD13 LEU 46 HD13 LEU 46 4.315 3.761 1.139 204 HD21 LEU 46 HD21 LEU 46 7.554 2.156 0.435 205 HD22 LEU 46 HD22 LEU 46 6.515 1.760 1.805 206 HD23 LEU 46 HD23 LEU 46 6.768 3.444 1.346 207 H LYS 47 H LYS 47 7.931 -0.067 -1.100 208 HA LYS 47 HA LYS 47 9.655 2.072 -1.002 209 HB2 LYS 47 HB3 LYS 47 10.073 -0.892 -1.164 210 HB3 LYS 47 HB2 LYS 47 11.434 0.203 -1.067 211 HG2 LYS 47 HG3 LYS 47 11.078 0.671 1.115 212 HG3 LYS 47 HG2 LYS 47 9.324 0.657 0.913 213 HD2 LYS 47 HD3 LYS 47 9.230 -1.704 1.039 214 HD3 LYS 47 HD2 LYS 47 10.979 -1.849 0.871 215 HE2 LYS 47 HE3 LYS 47 11.270 -0.756 3.048 216 HE3 LYS 47 HE2 LYS 47 9.518 -0.626 3.209 217 HZ1 LYS 47 HZ1 LYS 47 9.367 -3.032 3.185 218 HZ2 LYS 47 HZ2 LYS 47 10.393 -2.522 4.429 219 HZ3 LYS 47 HZ3 LYS 47 11.045 -3.166 3.008 220 H VAL 48 H VAL 48 9.037 -0.082 -3.683 221 HA VAL 48 HA VAL 48 11.202 0.685 -5.362 222 HB VAL 48 HB VAL 48 9.654 -1.373 -5.430 223 HG11 VAL 48 HG11 VAL 48 7.521 -0.270 -5.686 224 HG12 VAL 48 HG12 VAL 48 7.836 -1.396 -7.010 225 HG13 VAL 48 HG13 VAL 48 8.025 0.339 -7.264 226 HG21 VAL 48 HG21 VAL 48 10.546 -0.056 -7.977 227 HG22 VAL 48 HG22 VAL 48 10.122 -1.761 -7.817 228 HG23 VAL 48 HG23 VAL 48 11.507 -1.111 -6.939 229 H TYR 49 H TYR 49 7.959 1.863 -4.902 230 HA TYR 49 HA TYR 49 7.667 3.534 -7.148 231 HB2 TYR 49 HB3 TYR 49 5.989 2.757 -5.249 232 HB3 TYR 49 HB2 TYR 49 6.410 4.314 -4.549 233 HD1 TYR 49 HD2 TYR 49 4.730 2.619 -7.348 234 HD2 TYR 49 HD1 TYR 49 5.675 6.384 -5.596 235 HE1 TYR 49 HE2 TYR 49 3.067 3.707 -8.796 236 HE2 TYR 49 HE1 TYR 49 4.011 7.477 -7.039 237 HH TYR 49 HH TYR 49 1.702 5.746 -8.825 238 H ASN 50 H ASN 50 8.815 4.347 -3.883 239 HA ASN 50 HA ASN 50 9.342 7.108 -4.451 240 HB2 ASN 50 HB3 ASN 50 10.787 6.626 -2.188 241 HB3 ASN 50 HB2 ASN 50 9.084 7.008 -2.215 242 HD21 ASN 50 HD22 ASN 50 7.575 5.325 -2.059 243 HD22 ASN 50 HD21 ASN 50 7.998 3.821 -1.339 244 H CYS 51 H CYS 51 11.232 4.209 -4.545 245 HA CYS 51 HA CYS 51 13.844 5.131 -4.410 246 HB2 CYS 51 HB3 CYS 51 13.128 2.762 -4.370 247 HB3 CYS 51 HB2 CYS 51 12.822 2.843 -6.092 248 H TRP 52 H TRP 52 12.026 4.523 -7.443 249 HA TRP 52 HA TRP 52 14.048 6.084 -8.863 250 HB2 TRP 52 HB3 TRP 52 13.118 5.113 -10.921 251 HB3 TRP 52 HB2 TRP 52 13.754 3.969 -9.776 252 HD1 TRP 52 HD1 TRP 52 12.018 2.236 -8.662 253 HE1 TRP 52 HE1 TRP 52 9.714 1.425 -9.498 254 HE3 TRP 52 HE3 TRP 52 11.089 5.934 -11.988 255 HZ2 TRP 52 HZ2 TRP 52 7.753 2.273 -11.380 256 HZ3 TRP 52 HZ3 TRP 52 8.987 5.885 -13.299 257 HH2 TRP 52 HH2 TRP 52 7.352 4.091 -12.989 258 H ASN 53 H ASN 53 10.962 6.549 -7.726 259 HA ASN 53 HA ASN 53 10.431 8.818 -9.485 260 HB2 ASN 53 HB3 ASN 53 8.655 7.496 -7.422 261 HB3 ASN 53 HB2 ASN 53 8.201 8.890 -8.380 262 HD21 ASN 53 HD22 ASN 53 9.544 5.642 -8.864 263 HD22 ASN 53 HD21 ASN 53 8.550 5.255 -10.222 264 HA PRO 54 HA PRO 54 12.309 10.985 -5.786 265 HB2 PRO 54 HB3 PRO 54 13.328 13.088 -7.151 266 HB3 PRO 54 HB2 PRO 54 14.148 11.518 -7.100 267 HG2 PRO 54 HG3 PRO 54 12.332 12.602 -9.233 268 HG3 PRO 54 HG2 PRO 54 13.930 11.862 -9.414 269 HD2 PRO 54 HD3 PRO 54 11.730 10.423 -9.828 270 HD3 PRO 54 HD2 PRO 54 13.135 9.712 -9.016 271 H ASP 55 H ASP 55 10.392 12.397 -8.403 272 HA ASP 55 HA ASP 55 9.577 14.759 -7.062 273 HB2 ASP 55 HB3 ASP 55 8.583 13.321 -9.501 274 HB3 ASP 55 HB2 ASP 55 7.758 14.750 -8.891 275 H ASN 56 H ASN 56 8.140 11.520 -7.091 276 HA ASN 56 HA ASN 56 6.028 12.547 -5.306 277 HB2 ASN 56 HB3 ASN 56 5.422 11.766 -7.779 278 HB3 ASN 56 HB2 ASN 56 5.417 10.181 -7.022 279 HD21 ASN 56 HD22 ASN 56 3.853 13.241 -7.252 280 HD22 ASN 56 HD21 ASN 56 2.440 12.812 -6.363 281 HA PRO 57 HA PRO 57 8.162 8.946 -3.156 282 HB2 PRO 57 HB3 PRO 57 8.989 10.692 -1.018 283 HB3 PRO 57 HB2 PRO 57 10.012 9.826 -2.171 284 HG2 PRO 57 HG3 PRO 57 9.797 12.550 -2.115 285 HG3 PRO 57 HG2 PRO 57 10.202 11.622 -3.572 286 HD2 PRO 57 HD3 PRO 57 7.550 12.758 -2.746 287 HD3 PRO 57 HD2 PRO 57 8.332 12.769 -4.344 288 H TYR 58 H TYR 58 7.500 7.845 -1.238 289 HA TYR 58 HA TYR 58 5.290 9.104 0.259 290 HB2 TYR 58 HB3 TYR 58 5.475 6.298 -0.820 291 HB3 TYR 58 HB2 TYR 58 4.432 6.690 0.549 292 HD1 TYR 58 HD1 TYR 58 2.472 8.136 0.244 293 HD2 TYR 58 HD2 TYR 58 4.901 7.000 -3.063 294 HE1 TYR 58 HE1 TYR 58 0.689 8.834 -1.294 295 HE2 TYR 58 HE2 TYR 58 3.122 7.697 -4.612 296 HH TYR 58 HH TYR 58 0.450 9.546 -3.637 297 H LYS 59 H LYS 59 5.128 8.675 2.459 298 HA LYS 59 HA LYS 59 7.492 7.413 3.671 299 HB2 LYS 59 HB3 LYS 59 5.856 9.782 4.591 300 HB3 LYS 59 HB2 LYS 59 6.997 8.950 5.626 301 HG2 LYS 59 HG3 LYS 59 8.820 9.513 4.111 302 HG3 LYS 59 HG2 LYS 59 7.678 10.338 3.047 303 HD2 LYS 59 HD3 LYS 59 7.145 11.921 4.828 304 HD3 LYS 59 HD2 LYS 59 8.247 11.080 5.919 305 HE2 LYS 59 HE3 LYS 59 9.473 12.927 5.145 306 HE3 LYS 59 HE2 LYS 59 10.060 11.568 4.187 307 HZ1 LYS 59 HZ1 LYS 59 9.668 13.526 2.823 308 HZ2 LYS 59 HZ2 LYS 59 8.044 13.562 3.294 309 HZ3 LYS 59 HZ3 LYS 59 8.628 12.269 2.373 310 H GLU 60 H GLU 60 7.100 5.613 4.760 311 HA GLU 60 HA GLU 60 4.502 4.530 5.055 312 HB2 GLU 60 HB3 GLU 60 7.204 3.628 5.233 313 HB3 GLU 60 HB2 GLU 60 6.319 3.055 6.638 314 HG2 GLU 60 HG3 GLU 60 4.661 2.022 5.214 315 HG3 GLU 60 HG2 GLU 60 5.460 2.665 3.780 316 H VAL 61 H VAL 61 3.066 4.848 6.536 317 HA VAL 61 HA VAL 61 3.752 5.837 9.194 318 HB VAL 61 HB VAL 61 0.913 5.462 8.868 319 HG11 VAL 61 HG11 VAL 61 2.116 7.015 10.412 320 HG12 VAL 61 HG12 VAL 61 0.762 7.726 9.537 321 HG13 VAL 61 HG13 VAL 61 2.414 8.058 9.023 322 HG21 VAL 61 HG21 VAL 61 2.252 6.998 6.657 323 HG22 VAL 61 HG22 VAL 61 0.570 7.248 7.123 324 HG23 VAL 61 HG23 VAL 61 1.090 5.676 6.519 325 H LYS 62 H LYS 62 1.896 3.191 7.693 326 HA LYS 62 HA LYS 62 2.578 1.225 9.634 327 HB2 LYS 62 HB3 LYS 62 0.707 2.889 10.685 328 HB3 LYS 62 HB2 LYS 62 -0.340 1.766 9.819 329 HG2 LYS 62 HG3 LYS 62 0.631 -0.100 11.071 330 HG3 LYS 62 HG2 LYS 62 1.689 1.022 11.930 331 HD2 LYS 62 HD3 LYS 62 -0.259 2.147 12.877 332 HD3 LYS 62 HD2 LYS 62 -1.328 1.054 11.996 333 HE2 LYS 62 HE3 LYS 62 -0.384 -0.846 13.221 334 HE3 LYS 62 HE2 LYS 62 0.673 0.255 14.107 335 HZ1 LYS 62 HZ1 LYS 62 -1.280 1.329 15.033 336 HZ2 LYS 62 HZ2 LYS 62 -1.286 -0.323 15.395 337 HZ3 LYS 62 HZ3 LYS 62 -2.296 0.279 14.179 338 H VAL 63 H VAL 63 1.206 -0.851 9.294 339 HA VAL 63 HA VAL 63 0.449 -1.007 6.493 340 HB VAL 63 HB VAL 63 2.064 -2.668 7.333 341 HG11 VAL 63 HG11 VAL 63 -0.126 -3.698 9.125 342 HG12 VAL 63 HG12 VAL 63 1.377 -2.928 9.635 343 HG13 VAL 63 HG13 VAL 63 1.420 -4.494 8.827 344 HG21 VAL 63 HG21 VAL 63 0.709 -3.290 5.451 345 HG22 VAL 63 HG22 VAL 63 -0.553 -3.894 6.523 346 HG23 VAL 63 HG23 VAL 63 1.015 -4.700 6.465 347 H GLY 64 H GLY 64 -1.531 -0.201 6.258 348 HA2 GLY 64 HA3 GLY 64 -3.846 -1.611 6.879 349 HA3 GLY 64 HA2 GLY 64 -3.660 -0.380 8.120 350 H GLU 65 H GLU 65 -5.700 0.395 7.266 351 HA GLU 65 HA GLU 65 -5.333 2.138 4.921 352 HB2 GLU 65 HB3 GLU 65 -7.720 0.665 5.961 353 HB3 GLU 65 HB2 GLU 65 -7.986 2.236 5.216 354 HG2 GLU 65 HG3 GLU 65 -8.264 0.818 3.427 355 HG3 GLU 65 HG2 GLU 65 -6.565 1.260 3.270 356 H CYS 66 H CYS 66 -4.712 4.054 5.610 357 HA CYS 66 HA CYS 66 -5.863 5.133 8.080 358 HB2 CYS 66 HB3 CYS 66 -3.856 6.320 8.448 359 HB3 CYS 66 HB2 CYS 66 -3.376 4.705 7.973 360 H ASP 67 H ASP 67 -6.363 7.330 8.249 361 HA ASP 67 HA ASP 67 -7.117 8.609 5.713 362 HB2 ASP 67 HB3 ASP 67 -8.798 9.878 7.130 363 HB3 ASP 67 HB2 ASP 67 -9.092 8.152 6.986 364 H ASP 68 H ASP 68 -7.326 11.147 6.046 365 HA ASP 68 HA ASP 68 -4.684 12.115 6.526 366 HB2 ASP 68 HB3 ASP 68 -5.666 14.362 5.946 367 HB3 ASP 68 HB2 ASP 68 -5.884 13.115 4.729 368 H ALA 69 H ALA 69 -7.205 11.605 8.685 369 HA ALA 69 HA ALA 69 -6.493 13.787 10.498 370 HB1 ALA 69 HB1 ALA 69 -8.863 13.306 10.114 371 HB2 ALA 69 HB2 ALA 69 -8.421 13.076 11.806 372 HB3 ALA 69 HB3 ALA 69 -8.637 11.678 10.753 373 H ASN 70 H ASN 70 -4.889 11.173 9.862 374 HA ASN 70 HA ASN 70 -4.613 10.038 12.532 375 HB2 ASN 70 HB3 ASN 70 -4.721 8.773 10.186 376 HB3 ASN 70 HB2 ASN 70 -2.992 9.090 10.204 377 HD21 ASN 70 HD22 ASN 70 -2.286 7.044 10.465 378 HD22 ASN 70 HD21 ASN 70 -2.600 6.074 11.859 379 H LYS 71 H LYS 71 -2.379 9.585 13.284 380 HA LYS 71 HA LYS 71 -0.760 12.000 13.172 381 HB2 LYS 71 HB3 LYS 71 -1.515 10.521 15.265 382 HB3 LYS 71 HB2 LYS 71 -0.013 9.690 14.895 383 HG2 LYS 71 HG3 LYS 71 1.221 11.774 15.149 384 HG3 LYS 71 HG2 LYS 71 -0.285 12.635 15.478 385 HD2 LYS 71 HD3 LYS 71 -0.634 11.319 17.482 386 HD3 LYS 71 HD2 LYS 71 0.798 10.352 17.130 387 HE2 LYS 71 HE3 LYS 71 0.964 13.331 17.472 388 HE3 LYS 71 HE2 LYS 71 1.006 12.246 18.860 389 HZ1 LYS 71 HZ1 LYS 71 2.939 11.153 17.896 390 HZ2 LYS 71 HZ2 LYS 71 3.231 12.805 18.112 391 HZ3 LYS 71 HZ3 LYS 71 2.898 12.200 16.568 392 HA PRO 72 HA PRO 72 2.276 10.062 10.428 393 HB2 PRO 72 HB3 PRO 72 4.296 11.969 11.371 394 HB3 PRO 72 HB2 PRO 72 3.561 11.827 9.768 395 HG2 PRO 72 HG3 PRO 72 3.018 13.910 11.366 396 HG3 PRO 72 HG2 PRO 72 1.792 13.208 10.290 397 HD2 PRO 72 HD3 PRO 72 2.171 12.778 13.237 398 HD3 PRO 72 HD2 PRO 72 0.679 13.091 12.324 399 H VAL 73 H VAL 73 3.421 8.294 10.712 400 HA VAL 73 HA VAL 73 4.962 7.932 13.186 401 HB VAL 73 HB VAL 73 3.919 5.683 11.443 402 HG11 VAL 73 HG11 VAL 73 5.776 5.041 12.889 403 HG12 VAL 73 HG12 VAL 73 4.274 4.293 13.433 404 HG13 VAL 73 HG13 VAL 73 4.923 5.690 14.291 405 HG21 VAL 73 HG21 VAL 73 2.645 6.280 14.059 406 HG22 VAL 73 HG22 VAL 73 1.951 5.560 12.607 407 HG23 VAL 73 HG23 VAL 73 2.211 7.303 12.693 Start of MODEL 2 1 H CYS 18 H CYS 18 18.023 2.385 -0.196 2 HA CYS 18 HA CYS 18 15.243 2.150 -0.786 3 HB2 CYS 18 HB3 CYS 18 17.079 1.322 -3.040 4 HB3 CYS 18 HB2 CYS 18 15.328 1.369 -3.028 5 H GLN 19 H GLN 19 14.652 0.232 -0.193 6 HA GLN 19 HA GLN 19 16.592 -1.930 -0.127 7 HB2 GLN 19 HB3 GLN 19 15.325 -2.585 2.088 8 HB3 GLN 19 HB2 GLN 19 16.591 -1.359 2.097 9 HG2 GLN 19 HG3 GLN 19 15.115 -0.166 3.288 10 HG3 GLN 19 HG2 GLN 19 14.436 0.209 1.711 11 HE21 GLN 19 HE22 GLN 19 14.011 -1.415 4.688 12 HE22 GLN 19 HE21 GLN 19 12.390 -1.930 4.414 13 H LEU 20 H LEU 20 15.951 -3.182 -1.622 14 HA LEU 20 HA LEU 20 13.132 -3.632 -2.141 15 HB2 LEU 20 HB3 LEU 20 14.788 -2.816 -3.918 16 HB3 LEU 20 HB2 LEU 20 15.417 -4.443 -3.930 17 HG LEU 20 HG LEU 20 13.740 -3.716 -5.774 18 HD11 LEU 20 HD11 LEU 20 13.347 -6.303 -4.290 19 HD12 LEU 20 HD12 LEU 20 14.533 -5.980 -5.553 20 HD13 LEU 20 HD13 LEU 20 12.812 -5.971 -5.936 21 HD21 LEU 20 HD21 LEU 20 11.423 -3.913 -5.364 22 HD22 LEU 20 HD22 LEU 20 12.048 -2.835 -4.114 23 HD23 LEU 20 HD23 LEU 20 11.683 -4.516 -3.728 24 H PHE 21 H PHE 21 12.472 -5.089 -0.845 25 HA PHE 21 HA PHE 21 13.216 -7.853 -1.356 26 HB2 PHE 21 HB3 PHE 21 13.017 -8.487 1.040 27 HB3 PHE 21 HB2 PHE 21 14.378 -7.424 0.740 28 HD1 PHE 21 HD1 PHE 21 14.319 -5.084 1.541 29 HD2 PHE 21 HD2 PHE 21 11.244 -7.867 2.502 30 HE1 PHE 21 HE1 PHE 21 13.578 -3.632 3.381 31 HE2 PHE 21 HE2 PHE 21 10.496 -6.414 4.338 32 HZ PHE 21 HZ PHE 21 11.665 -4.293 4.780 33 H CYS 22 H CYS 22 11.487 -8.507 -2.371 34 HA CYS 22 HA CYS 22 8.863 -7.463 -1.651 35 HB2 CYS 22 HB3 CYS 22 9.807 -8.943 -4.098 36 HB3 CYS 22 HB2 CYS 22 8.151 -8.398 -3.839 37 HA PRO 23 HA PRO 23 7.931 -11.648 0.022 38 HB2 PRO 23 HB3 PRO 23 6.197 -10.419 1.955 39 HB3 PRO 23 HB2 PRO 23 7.762 -11.183 2.251 40 HG2 PRO 23 HG3 PRO 23 7.283 -8.497 2.580 41 HG3 PRO 23 HG2 PRO 23 8.881 -9.199 2.264 42 HD2 PRO 23 HD3 PRO 23 6.996 -7.874 0.348 43 HD3 PRO 23 HD2 PRO 23 8.765 -7.747 0.472 44 H MET 24 H MET 24 6.087 -12.902 -0.452 45 HA MET 24 HA MET 24 3.901 -11.448 -1.766 46 HB2 MET 24 HB3 MET 24 4.916 -14.264 -2.013 47 HB3 MET 24 HB2 MET 24 3.305 -13.842 -2.575 48 HG2 MET 24 HG3 MET 24 4.793 -13.763 -4.436 49 HG3 MET 24 HG2 MET 24 4.329 -12.111 -4.037 50 HE1 MET 24 HE1 MET 24 8.507 -13.978 -3.759 51 HE2 MET 24 HE2 MET 24 7.173 -14.497 -4.790 52 HE3 MET 24 HE3 MET 24 7.110 -14.791 -3.053 53 H ILE 25 H ILE 25 2.673 -10.785 -0.071 54 HA ILE 25 HA ILE 25 0.856 -12.762 1.082 55 HB ILE 25 HB ILE 25 2.340 -10.858 2.954 56 HG12 ILE 25 HG13 ILE 25 2.740 -13.328 4.042 57 HG13 ILE 25 HG12 ILE 25 2.804 -13.710 2.324 58 HG21 ILE 25 HG21 ILE 25 1.106 -11.978 4.768 59 HG22 ILE 25 HG22 ILE 25 0.216 -12.913 3.567 60 HG23 ILE 25 HG23 ILE 25 0.030 -11.160 3.633 61 HD11 ILE 25 HD11 ILE 25 5.013 -13.253 3.294 62 HD12 ILE 25 HD12 ILE 25 4.484 -11.616 3.685 63 HD13 ILE 25 HD13 ILE 25 4.593 -12.130 2.001 64 H TYR 26 H TYR 26 -1.198 -11.875 0.961 65 HA TYR 26 HA TYR 26 -1.351 -9.133 0.039 66 HB2 TYR 26 HB3 TYR 26 -2.657 -10.984 -0.963 67 HB3 TYR 26 HB2 TYR 26 -3.649 -11.044 0.480 68 HD1 TYR 26 HD2 TYR 26 -2.860 -9.182 -2.582 69 HD2 TYR 26 HD1 TYR 26 -5.277 -9.267 0.921 70 HE1 TYR 26 HE2 TYR 26 -4.330 -7.474 -3.562 71 HE2 TYR 26 HE1 TYR 26 -6.756 -7.560 -0.053 72 HH TYR 26 HH TYR 26 -6.651 -6.686 -3.326 73 H ALA 27 H ALA 27 -0.942 -7.824 1.493 74 HA ALA 27 HA ALA 27 -2.754 -7.461 3.773 75 HB1 ALA 27 HB1 ALA 27 -0.901 -6.742 5.195 76 HB2 ALA 27 HB2 ALA 27 0.240 -7.095 3.896 77 HB3 ALA 27 HB3 ALA 27 -0.672 -8.404 4.651 78 HA PRO 28 HA PRO 28 -2.715 -3.320 1.890 79 HB2 PRO 28 HB3 PRO 28 -4.410 -2.266 3.970 80 HB3 PRO 28 HB2 PRO 28 -4.862 -2.700 2.318 81 HG2 PRO 28 HG3 PRO 28 -5.760 -4.041 4.530 82 HG3 PRO 28 HG2 PRO 28 -5.622 -4.766 2.916 83 HD2 PRO 28 HD3 PRO 28 -3.763 -5.007 5.254 84 HD3 PRO 28 HD2 PRO 28 -4.298 -6.244 4.097 85 H ILE 29 H ILE 29 -1.175 -1.768 2.096 86 HA ILE 29 HA ILE 29 -0.390 -0.943 4.823 87 HB ILE 29 HB ILE 29 1.466 -1.025 2.422 88 HG12 ILE 29 HG13 ILE 29 2.524 -2.821 4.168 89 HG13 ILE 29 HG12 ILE 29 0.806 -3.072 4.445 90 HG21 ILE 29 HG21 ILE 29 2.093 0.663 4.083 91 HG22 ILE 29 HG22 ILE 29 3.269 -0.649 4.019 92 HG23 ILE 29 HG23 ILE 29 2.103 -0.574 5.339 93 HD11 ILE 29 HD11 ILE 29 1.524 -4.617 2.796 94 HD12 ILE 29 HD12 ILE 29 2.301 -3.340 1.859 95 HD13 ILE 29 HD13 ILE 29 0.542 -3.395 1.989 96 H CYS 30 H CYS 30 -0.226 1.168 5.313 97 HA CYS 30 HA CYS 30 -1.026 3.121 3.239 98 HB2 CYS 30 HB3 CYS 30 -2.011 2.619 5.796 99 HB3 CYS 30 HB2 CYS 30 -1.024 4.061 6.002 100 H ALA 31 H ALA 31 0.190 4.908 2.817 101 HA ALA 31 HA ALA 31 2.614 5.424 4.364 102 HB1 ALA 31 HB1 ALA 31 4.007 5.559 2.365 103 HB2 ALA 31 HB2 ALA 31 2.636 5.100 1.354 104 HB3 ALA 31 HB3 ALA 31 3.306 3.946 2.507 105 H THR 32 H THR 32 2.947 7.585 4.625 106 HA THR 32 HA THR 32 1.430 9.420 2.898 107 HB THR 32 HB THR 32 0.207 9.300 4.996 108 HG1 THR 32 HG1 THR 32 0.271 11.324 3.986 109 HG21 THR 32 HG21 THR 32 1.163 10.159 7.110 110 HG22 THR 32 HG22 THR 32 2.754 10.203 6.348 111 HG23 THR 32 HG23 THR 32 1.928 8.663 6.578 112 H ASP 33 H ASP 33 2.460 11.102 2.133 113 HA ASP 33 HA ASP 33 5.174 11.704 3.168 114 HB2 ASP 33 HB3 ASP 33 4.656 10.967 0.676 115 HB3 ASP 33 HB2 ASP 33 4.247 12.666 0.484 116 H GLY 34 H GLY 34 2.721 12.711 4.367 117 HA2 GLY 34 HA3 GLY 34 2.295 14.785 5.451 118 HA3 GLY 34 HA2 GLY 34 3.234 15.607 4.208 119 H VAL 35 H VAL 35 1.979 14.301 2.062 120 HA VAL 35 HA VAL 35 -0.432 15.835 1.655 121 HB VAL 35 HB VAL 35 -0.193 14.662 -0.666 122 HG11 VAL 35 HG11 VAL 35 1.396 16.387 -1.417 123 HG12 VAL 35 HG12 VAL 35 1.774 16.734 0.269 124 HG13 VAL 35 HG13 VAL 35 0.149 17.027 -0.348 125 HG21 VAL 35 HG21 VAL 35 2.675 14.404 0.190 126 HG22 VAL 35 HG22 VAL 35 1.937 13.857 -1.317 127 HG23 VAL 35 HG23 VAL 35 1.550 13.044 0.204 128 H SER 36 H SER 36 -2.288 14.571 0.414 129 HA SER 36 HA SER 36 -3.393 12.640 2.094 130 HB2 SER 36 HB3 SER 36 -4.594 13.962 0.276 131 HB3 SER 36 HB2 SER 36 -3.951 12.799 -0.882 132 HG SER 36 HG SER 36 -6.160 12.499 0.230 133 H GLN 37 H GLN 37 -3.115 10.552 2.357 134 HA GLN 37 HA GLN 37 -0.806 9.295 1.199 135 HB2 GLN 37 HB3 GLN 37 -1.797 7.400 2.833 136 HB3 GLN 37 HB2 GLN 37 -0.733 8.677 3.342 137 HG2 GLN 37 HG3 GLN 37 -3.578 9.347 3.416 138 HG3 GLN 37 HG2 GLN 37 -3.072 8.058 4.501 139 HE21 GLN 37 HE22 GLN 37 -2.139 11.320 3.474 140 HE22 GLN 37 HE21 GLN 37 -1.547 11.815 5.002 141 H ARG 38 H ARG 38 -0.758 7.054 0.681 142 HA ARG 38 HA ARG 38 -3.056 6.223 -0.969 143 HB2 ARG 38 HB3 ARG 38 -0.329 6.768 -1.753 144 HB3 ARG 38 HB2 ARG 38 -0.777 5.116 -2.148 145 HG2 ARG 38 HG3 ARG 38 -2.755 5.954 -3.313 146 HG3 ARG 38 HG2 ARG 38 -2.248 7.602 -2.969 147 HD2 ARG 38 HD3 ARG 38 -0.193 7.246 -4.237 148 HD3 ARG 38 HD2 ARG 38 -0.671 5.579 -4.559 149 HE ARG 38 HE ARG 38 -2.658 7.403 -5.448 150 HH11 ARG 38 HH11 ARG 38 0.484 6.120 -6.378 151 HH12 ARG 38 HH12 ARG 38 0.223 6.401 -8.066 152 HH21 ARG 38 HH21 ARG 38 -2.968 7.760 -7.663 153 HH22 ARG 38 HH22 ARG 38 -1.726 7.328 -8.790 154 H THR 39 H THR 39 -3.313 4.010 -1.346 155 HA THR 39 HA THR 39 -2.102 2.264 0.703 156 HB THR 39 HB THR 39 -4.696 1.425 -0.487 157 HG1 THR 39 HG1 THR 39 -5.852 2.811 0.967 158 HG21 THR 39 HG21 THR 39 -5.135 0.688 1.803 159 HG22 THR 39 HG22 THR 39 -3.663 1.485 2.355 160 HG23 THR 39 HG23 THR 39 -3.561 0.109 1.257 161 H PHE 40 H PHE 40 -0.793 0.785 -0.106 162 HA PHE 40 HA PHE 40 -0.971 0.028 -2.935 163 HB2 PHE 40 HB3 PHE 40 1.268 -0.353 -0.919 164 HB3 PHE 40 HB2 PHE 40 1.324 -0.889 -2.580 165 HD1 PHE 40 HD1 PHE 40 0.653 2.310 -0.716 166 HD2 PHE 40 HD2 PHE 40 2.501 0.420 -4.059 167 HE1 PHE 40 HE1 PHE 40 1.613 4.464 -1.403 168 HE2 PHE 40 HE2 PHE 40 3.466 2.579 -4.743 169 HZ PHE 40 HZ PHE 40 3.015 4.602 -3.419 170 H SER 41 H SER 41 -0.480 -2.267 -3.483 171 HA SER 41 HA SER 41 -2.194 -4.051 -2.047 172 HB2 SER 41 HB3 SER 41 -1.799 -4.025 -4.562 173 HB3 SER 41 HB2 SER 41 -0.255 -4.810 -4.237 174 HG SER 41 HG SER 41 -1.698 -6.430 -4.608 175 H ASN 42 H ASN 42 1.229 -3.401 -2.037 176 HA ASN 42 HA ASN 42 1.701 -4.982 0.279 177 HB2 ASN 42 HB3 ASN 42 2.283 -6.259 -2.316 178 HB3 ASN 42 HB2 ASN 42 3.704 -6.159 -1.289 179 HD21 ASN 42 HD22 ASN 42 0.714 -7.651 -1.896 180 HD22 ASN 42 HD21 ASN 42 0.748 -8.776 -0.584 181 HA PRO 43 HA PRO 43 5.120 -2.088 0.723 182 HB2 PRO 43 HB3 PRO 43 7.098 -4.208 1.326 183 HB3 PRO 43 HB2 PRO 43 6.567 -2.851 2.331 184 HG2 PRO 43 HG3 PRO 43 5.806 -5.311 2.939 185 HG3 PRO 43 HG2 PRO 43 4.660 -3.959 3.068 186 HD2 PRO 43 HD3 PRO 43 4.923 -5.988 0.869 187 HD3 PRO 43 HD2 PRO 43 3.459 -5.421 1.702 188 H CYS 44 H CYS 44 5.701 -4.823 -1.364 189 HA CYS 44 HA CYS 44 8.159 -4.136 -2.532 190 HB2 CYS 44 HB3 CYS 44 7.112 -6.341 -2.780 191 HB3 CYS 44 HB2 CYS 44 5.822 -5.634 -3.741 192 H ASP 45 H ASP 45 4.843 -3.298 -3.535 193 HA ASP 45 HA ASP 45 5.601 -1.831 -5.857 194 HB2 ASP 45 HB3 ASP 45 3.026 -1.924 -4.283 195 HB3 ASP 45 HB2 ASP 45 3.222 -0.981 -5.757 196 H LEU 46 H LEU 46 5.190 -0.940 -2.468 197 HA LEU 46 HA LEU 46 5.096 1.889 -2.899 198 HB2 LEU 46 HB3 LEU 46 4.006 0.788 -1.051 199 HB3 LEU 46 HB2 LEU 46 5.498 0.080 -0.522 200 HG LEU 46 HG LEU 46 4.539 1.926 0.835 201 HD11 LEU 46 HD11 LEU 46 7.378 2.077 0.010 202 HD12 LEU 46 HD12 LEU 46 6.685 1.230 1.390 203 HD13 LEU 46 HD13 LEU 46 6.713 2.993 1.362 204 HD21 LEU 46 HD21 LEU 46 5.571 3.671 -1.354 205 HD22 LEU 46 HD22 LEU 46 5.106 4.246 0.248 206 HD23 LEU 46 HD23 LEU 46 3.897 3.527 -0.816 207 H LYS 47 H LYS 47 7.490 -0.239 -1.327 208 HA LYS 47 HA LYS 47 9.521 1.546 -0.873 209 HB2 LYS 47 HB3 LYS 47 9.462 -1.403 -1.366 210 HB3 LYS 47 HB2 LYS 47 10.985 -0.585 -1.095 211 HG2 LYS 47 HG3 LYS 47 10.572 -0.248 1.109 212 HG3 LYS 47 HG2 LYS 47 8.848 0.012 0.829 213 HD2 LYS 47 HD3 LYS 47 8.420 -2.311 0.704 214 HD3 LYS 47 HD2 LYS 47 10.136 -2.690 0.606 215 HE2 LYS 47 HE3 LYS 47 10.427 -1.831 2.903 216 HE3 LYS 47 HE2 LYS 47 8.692 -1.531 2.987 217 HZ1 LYS 47 HZ1 LYS 47 9.957 -4.188 2.590 218 HZ2 LYS 47 HZ2 LYS 47 8.297 -3.889 2.705 219 HZ3 LYS 47 HZ3 LYS 47 9.298 -3.622 4.041 220 H VAL 48 H VAL 48 8.863 -0.199 -3.839 221 HA VAL 48 HA VAL 48 11.208 0.631 -5.249 222 HB VAL 48 HB VAL 48 9.403 -1.313 -5.636 223 HG11 VAL 48 HG11 VAL 48 8.581 0.696 -7.710 224 HG12 VAL 48 HG12 VAL 48 7.584 0.096 -6.384 225 HG13 VAL 48 HG13 VAL 48 8.107 -1.002 -7.663 226 HG21 VAL 48 HG21 VAL 48 10.423 -1.683 -7.857 227 HG22 VAL 48 HG22 VAL 48 11.598 -1.307 -6.598 228 HG23 VAL 48 HG23 VAL 48 11.126 -0.068 -7.761 229 H TYR 49 H TYR 49 7.974 1.883 -4.859 230 HA TYR 49 HA TYR 49 7.900 3.767 -6.963 231 HB2 TYR 49 HB3 TYR 49 6.025 2.827 -5.382 232 HB3 TYR 49 HB2 TYR 49 6.423 4.221 -4.387 233 HD1 TYR 49 HD1 TYR 49 5.918 6.489 -5.175 234 HD2 TYR 49 HD2 TYR 49 4.909 3.087 -7.527 235 HE1 TYR 49 HE1 TYR 49 4.436 7.886 -6.550 236 HE2 TYR 49 HE2 TYR 49 3.427 4.479 -8.910 237 HH TYR 49 HH TYR 49 3.460 7.868 -8.806 238 H ASN 50 H ASN 50 8.642 4.265 -3.520 239 HA ASN 50 HA ASN 50 9.170 7.038 -3.674 240 HB2 ASN 50 HB3 ASN 50 10.627 6.179 -1.484 241 HB3 ASN 50 HB2 ASN 50 8.951 6.667 -1.476 242 HD21 ASN 50 HD22 ASN 50 7.328 5.107 -1.394 243 HD22 ASN 50 HD21 ASN 50 7.671 3.469 -1.049 244 H CYS 51 H CYS 51 11.182 4.283 -4.194 245 HA CYS 51 HA CYS 51 13.732 5.451 -3.928 246 HB2 CYS 51 HB3 CYS 51 13.282 3.034 -3.903 247 HB3 CYS 51 HB2 CYS 51 12.895 3.088 -5.608 248 H TRP 52 H TRP 52 11.944 4.699 -6.964 249 HA TRP 52 HA TRP 52 13.831 6.395 -8.397 250 HB2 TRP 52 HB3 TRP 52 12.961 5.440 -10.441 251 HB3 TRP 52 HB2 TRP 52 13.491 4.240 -9.298 252 HD1 TRP 52 HD1 TRP 52 11.701 2.472 -8.462 253 HE1 TRP 52 HE1 TRP 52 9.377 1.830 -9.383 254 HE3 TRP 52 HE3 TRP 52 10.895 6.526 -11.411 255 HZ2 TRP 52 HZ2 TRP 52 7.453 2.923 -11.162 256 HZ3 TRP 52 HZ3 TRP 52 8.801 6.667 -12.709 257 HH2 TRP 52 HH2 TRP 52 7.112 4.904 -12.579 258 H ASN 53 H ASN 53 10.804 6.862 -7.134 259 HA ASN 53 HA ASN 53 10.154 9.069 -8.923 260 HB2 ASN 53 HB3 ASN 53 8.517 7.739 -6.755 261 HB3 ASN 53 HB2 ASN 53 7.987 9.150 -7.651 262 HD21 ASN 53 HD22 ASN 53 9.375 5.960 -8.314 263 HD22 ASN 53 HD21 ASN 53 8.328 5.586 -9.632 264 HA PRO 54 HA PRO 54 12.183 11.431 -5.442 265 HB2 PRO 54 HB3 PRO 54 13.107 13.473 -6.955 266 HB3 PRO 54 HB2 PRO 54 13.950 11.919 -6.863 267 HG2 PRO 54 HG3 PRO 54 12.032 12.879 -8.965 268 HG3 PRO 54 HG2 PRO 54 13.624 12.134 -9.177 269 HD2 PRO 54 HD3 PRO 54 11.405 10.673 -9.415 270 HD3 PRO 54 HD2 PRO 54 12.857 10.005 -8.651 271 H ASP 55 H ASP 55 10.157 12.741 -8.048 272 HA ASP 55 HA ASP 55 9.336 15.091 -6.632 273 HB2 ASP 55 HB3 ASP 55 8.422 13.783 -9.179 274 HB3 ASP 55 HB2 ASP 55 7.599 15.195 -8.525 275 H ASN 56 H ASN 56 7.932 11.854 -6.930 276 HA ASN 56 HA ASN 56 5.794 12.701 -5.097 277 HB2 ASN 56 HB3 ASN 56 5.586 11.174 -7.659 278 HB3 ASN 56 HB2 ASN 56 4.469 10.792 -6.359 279 HD21 ASN 56 HD22 ASN 56 2.966 12.333 -5.701 280 HD22 ASN 56 HD21 ASN 56 2.585 13.712 -6.672 281 HA PRO 57 HA PRO 57 7.933 8.848 -3.406 282 HB2 PRO 57 HB3 PRO 57 8.963 10.318 -1.155 283 HB3 PRO 57 HB2 PRO 57 9.877 9.538 -2.450 284 HG2 PRO 57 HG3 PRO 57 9.793 12.249 -2.097 285 HG3 PRO 57 HG2 PRO 57 10.084 11.464 -3.662 286 HD2 PRO 57 HD3 PRO 57 7.532 12.616 -2.579 287 HD3 PRO 57 HD2 PRO 57 8.231 12.760 -4.209 288 H TYR 58 H TYR 58 7.344 7.586 -1.548 289 HA TYR 58 HA TYR 58 5.377 8.802 0.271 290 HB2 TYR 58 HB3 TYR 58 5.088 6.203 -1.241 291 HB3 TYR 58 HB2 TYR 58 4.151 6.567 0.203 292 HD1 TYR 58 HD2 TYR 58 4.657 7.370 -3.338 293 HD2 TYR 58 HD1 TYR 58 2.376 8.235 0.150 294 HE1 TYR 58 HE2 TYR 58 2.991 8.534 -4.722 295 HE2 TYR 58 HE1 TYR 58 0.703 9.398 -1.227 296 HH TYR 58 HH TYR 58 0.619 9.162 -4.610 297 H LYS 59 H LYS 59 5.487 8.152 2.388 298 HA LYS 59 HA LYS 59 7.637 6.260 3.055 299 HB2 LYS 59 HB3 LYS 59 6.740 8.746 4.520 300 HB3 LYS 59 HB2 LYS 59 7.836 7.556 5.197 301 HG2 LYS 59 HG3 LYS 59 9.505 8.038 3.567 302 HG3 LYS 59 HG2 LYS 59 8.388 9.049 2.649 303 HD2 LYS 59 HD3 LYS 59 8.289 10.641 4.484 304 HD3 LYS 59 HD2 LYS 59 9.346 9.613 5.454 305 HE2 LYS 59 HE3 LYS 59 11.130 9.900 3.800 306 HE3 LYS 59 HE2 LYS 59 10.072 10.934 2.841 307 HZ1 LYS 59 HZ1 LYS 59 11.006 11.500 5.603 308 HZ2 LYS 59 HZ2 LYS 59 9.987 12.491 4.690 309 HZ3 LYS 59 HZ3 LYS 59 11.583 12.236 4.194 310 H GLU 60 H GLU 60 7.186 4.615 4.415 311 HA GLU 60 HA GLU 60 4.450 3.925 4.817 312 HB2 GLU 60 HB3 GLU 60 7.005 2.611 4.838 313 HB3 GLU 60 HB2 GLU 60 6.053 2.110 6.227 314 HG2 GLU 60 HG3 GLU 60 4.246 1.421 4.803 315 HG3 GLU 60 HG2 GLU 60 5.077 2.056 3.385 316 H VAL 61 H VAL 61 3.222 4.617 6.359 317 HA VAL 61 HA VAL 61 4.163 5.413 8.971 318 HB VAL 61 HB VAL 61 1.433 5.452 9.207 319 HG11 VAL 61 HG11 VAL 61 1.575 7.858 8.799 320 HG12 VAL 61 HG12 VAL 61 3.190 7.635 8.131 321 HG13 VAL 61 HG13 VAL 61 2.876 7.260 9.821 322 HG21 VAL 61 HG21 VAL 61 1.178 4.791 6.812 323 HG22 VAL 61 HG22 VAL 61 1.948 6.314 6.366 324 HG23 VAL 61 HG23 VAL 61 0.411 6.324 7.227 325 H LYS 62 H LYS 62 1.983 2.901 7.660 326 HA LYS 62 HA LYS 62 2.652 0.985 9.696 327 HB2 LYS 62 HB3 LYS 62 0.870 2.788 10.638 328 HB3 LYS 62 HB2 LYS 62 -0.241 1.703 9.809 329 HG2 LYS 62 HG3 LYS 62 1.653 0.301 11.551 330 HG3 LYS 62 HG2 LYS 62 0.623 1.444 12.413 331 HD2 LYS 62 HD3 LYS 62 -1.361 0.392 11.464 332 HD3 LYS 62 HD2 LYS 62 -0.347 -0.724 10.548 333 HE2 LYS 62 HE3 LYS 62 -1.030 -1.962 12.417 334 HE3 LYS 62 HE2 LYS 62 0.605 -1.434 12.816 335 HZ1 LYS 62 HZ1 LYS 62 -1.904 -0.150 13.758 336 HZ2 LYS 62 HZ2 LYS 62 -0.338 0.353 14.146 337 HZ3 LYS 62 HZ3 LYS 62 -0.900 -1.149 14.683 338 H VAL 63 H VAL 63 1.230 -1.046 9.494 339 HA VAL 63 HA VAL 63 0.396 -1.368 6.699 340 HB VAL 63 HB VAL 63 0.844 -3.497 8.826 341 HG11 VAL 63 HG11 VAL 63 0.982 -4.614 6.227 342 HG12 VAL 63 HG12 VAL 63 -0.505 -3.667 6.299 343 HG13 VAL 63 HG13 VAL 63 -0.216 -4.943 7.480 344 HG21 VAL 63 HG21 VAL 63 2.556 -2.598 6.521 345 HG22 VAL 63 HG22 VAL 63 2.824 -4.097 7.410 346 HG23 VAL 63 HG23 VAL 63 2.948 -2.544 8.238 347 H GLY 64 H GLY 64 -1.552 -0.560 6.535 348 HA2 GLY 64 HA3 GLY 64 -3.860 -1.888 7.334 349 HA3 GLY 64 HA2 GLY 64 -3.599 -0.595 8.498 350 H GLU 65 H GLU 65 -5.660 0.183 7.680 351 HA GLU 65 HA GLU 65 -5.344 1.777 5.222 352 HB2 GLU 65 HB3 GLU 65 -7.447 0.074 5.926 353 HB3 GLU 65 HB2 GLU 65 -8.042 1.690 6.284 354 HG2 GLU 65 HG3 GLU 65 -7.680 2.408 4.041 355 HG3 GLU 65 HG2 GLU 65 -6.845 0.906 3.642 356 H CYS 66 H CYS 66 -4.840 3.795 5.647 357 HA CYS 66 HA CYS 66 -5.614 4.970 8.216 358 HB2 CYS 66 HB3 CYS 66 -3.681 6.368 8.064 359 HB3 CYS 66 HB2 CYS 66 -3.180 4.721 7.742 360 H ASP 67 H ASP 67 -6.227 7.141 8.366 361 HA ASP 67 HA ASP 67 -7.615 8.181 5.991 362 HB2 ASP 67 HB3 ASP 67 -8.117 8.469 8.954 363 HB3 ASP 67 HB2 ASP 67 -8.859 9.559 7.789 364 H ASP 68 H ASP 68 -7.884 10.719 6.166 365 HA ASP 68 HA ASP 68 -5.270 11.862 5.945 366 HB2 ASP 68 HB3 ASP 68 -8.057 12.948 5.640 367 HB3 ASP 68 HB2 ASP 68 -6.656 14.011 5.571 368 H ALA 69 H ALA 69 -7.232 11.403 8.637 369 HA ALA 69 HA ALA 69 -6.349 13.793 10.071 370 HB1 ALA 69 HB1 ALA 69 -8.192 11.574 10.957 371 HB2 ALA 69 HB2 ALA 69 -8.695 13.109 10.248 372 HB3 ALA 69 HB3 ALA 69 -7.891 13.085 11.817 373 H ASN 70 H ASN 70 -4.752 11.158 9.335 374 HA ASN 70 HA ASN 70 -3.742 10.478 11.996 375 HB2 ASN 70 HB3 ASN 70 -4.432 8.807 10.015 376 HB3 ASN 70 HB2 ASN 70 -2.755 9.081 9.557 377 HD21 ASN 70 HD22 ASN 70 -1.108 8.376 10.921 378 HD22 ASN 70 HD21 ASN 70 -1.388 7.222 12.175 379 H LYS 71 H LYS 71 -1.587 10.627 12.511 380 HA LYS 71 HA LYS 71 -0.070 12.609 11.010 381 HB2 LYS 71 HB3 LYS 71 1.388 12.724 13.054 382 HB3 LYS 71 HB2 LYS 71 -0.283 13.181 13.318 383 HG2 LYS 71 HG3 LYS 71 0.456 10.362 13.904 384 HG3 LYS 71 HG2 LYS 71 1.061 11.604 15.000 385 HD2 LYS 71 HD3 LYS 71 -1.221 12.402 15.367 386 HD3 LYS 71 HD2 LYS 71 -1.836 11.186 14.247 387 HE2 LYS 71 HE3 LYS 71 -2.197 10.245 16.358 388 HE3 LYS 71 HE2 LYS 71 -0.716 9.474 15.797 389 HZ1 LYS 71 HZ1 LYS 71 -0.874 11.767 17.681 390 HZ2 LYS 71 HZ2 LYS 71 0.556 11.050 17.132 391 HZ3 LYS 71 HZ3 LYS 71 -0.518 10.166 18.095 392 HA PRO 72 HA PRO 72 2.920 9.651 9.454 393 HB2 PRO 72 HB3 PRO 72 5.121 11.555 9.638 394 HB3 PRO 72 HB2 PRO 72 4.297 10.952 8.195 395 HG2 PRO 72 HG3 PRO 72 4.049 13.509 9.000 396 HG3 PRO 72 HG2 PRO 72 2.724 12.630 8.207 397 HD2 PRO 72 HD3 PRO 72 3.137 13.163 11.133 398 HD3 PRO 72 HD2 PRO 72 1.663 13.325 10.156 399 H VAL 73 H VAL 73 4.296 8.113 10.158 400 HA VAL 73 HA VAL 73 5.950 8.618 12.504 401 HB VAL 73 HB VAL 73 5.352 6.263 13.368 402 HG11 VAL 73 HG11 VAL 73 3.471 7.173 14.687 403 HG12 VAL 73 HG12 VAL 73 3.429 8.568 13.607 404 HG13 VAL 73 HG13 VAL 73 4.855 8.263 14.599 405 HG21 VAL 73 HG21 VAL 73 2.700 6.769 12.039 406 HG22 VAL 73 HG22 VAL 73 3.249 5.325 12.887 407 HG23 VAL 73 HG23 VAL 73 3.922 5.730 11.308 Start of MODEL 3 1 H CYS 18 H CYS 18 18.391 2.076 -0.911 2 HA CYS 18 HA CYS 18 15.540 2.083 -1.054 3 HB2 CYS 18 HB3 CYS 18 16.912 1.205 -3.600 4 HB3 CYS 18 HB2 CYS 18 15.200 1.448 -3.313 5 H GLN 19 H GLN 19 14.918 0.165 -0.407 6 HA GLN 19 HA GLN 19 16.673 -2.112 -0.798 7 HB2 GLN 19 HB3 GLN 19 15.825 -2.832 1.578 8 HB3 GLN 19 HB2 GLN 19 17.138 -1.675 1.403 9 HG2 GLN 19 HG3 GLN 19 16.016 -0.481 2.917 10 HG3 GLN 19 HG2 GLN 19 15.036 0.011 1.538 11 HE21 GLN 19 HE22 GLN 19 12.958 -0.694 1.382 12 HE22 GLN 19 HE21 GLN 19 12.153 -1.576 2.627 13 H LEU 20 H LEU 20 15.699 -3.248 -2.171 14 HA LEU 20 HA LEU 20 12.816 -3.567 -2.173 15 HB2 LEU 20 HB3 LEU 20 14.156 -2.773 -4.203 16 HB3 LEU 20 HB2 LEU 20 14.734 -4.412 -4.343 17 HG LEU 20 HG LEU 20 12.787 -3.604 -5.862 18 HD11 LEU 20 HD11 LEU 20 13.564 -5.878 -5.851 19 HD12 LEU 20 HD12 LEU 20 11.800 -5.849 -5.904 20 HD13 LEU 20 HD13 LEU 20 12.632 -6.226 -4.395 21 HD21 LEU 20 HD21 LEU 20 11.411 -2.741 -3.932 22 HD22 LEU 20 HD22 LEU 20 11.099 -4.425 -3.508 23 HD23 LEU 20 HD23 LEU 20 10.568 -3.796 -5.066 24 H PHE 21 H PHE 21 12.334 -5.049 -0.799 25 HA PHE 21 HA PHE 21 13.176 -7.805 -1.314 26 HB2 PHE 21 HB3 PHE 21 12.993 -8.339 1.091 27 HB3 PHE 21 HB2 PHE 21 14.217 -7.120 0.797 28 HD1 PHE 21 HD1 PHE 21 13.680 -4.703 1.366 29 HD2 PHE 21 HD2 PHE 21 11.228 -7.962 2.594 30 HE1 PHE 21 HE1 PHE 21 12.666 -3.288 3.102 31 HE2 PHE 21 HE2 PHE 21 10.210 -6.547 4.327 32 HZ PHE 21 HZ PHE 21 10.929 -4.207 4.583 33 H CYS 22 H CYS 22 11.524 -8.510 -2.451 34 HA CYS 22 HA CYS 22 8.798 -7.779 -1.709 35 HB2 CYS 22 HB3 CYS 22 9.845 -9.043 -4.237 36 HB3 CYS 22 HB2 CYS 22 8.174 -8.567 -3.951 37 HA PRO 23 HA PRO 23 8.317 -12.147 -0.332 38 HB2 PRO 23 HB3 PRO 23 6.463 -11.247 1.671 39 HB3 PRO 23 HB2 PRO 23 8.100 -11.861 1.922 40 HG2 PRO 23 HG3 PRO 23 7.343 -9.269 2.436 41 HG3 PRO 23 HG2 PRO 23 9.005 -9.778 2.088 42 HD2 PRO 23 HD3 PRO 23 7.001 -8.516 0.255 43 HD3 PRO 23 HD2 PRO 23 8.749 -8.225 0.400 44 H MET 24 H MET 24 6.347 -13.547 -0.360 45 HA MET 24 HA MET 24 4.249 -12.346 -2.029 46 HB2 MET 24 HB3 MET 24 5.155 -15.185 -1.617 47 HB3 MET 24 HB2 MET 24 3.591 -14.835 -2.338 48 HG2 MET 24 HG3 MET 24 5.140 -15.214 -4.100 49 HG3 MET 24 HG2 MET 24 4.769 -13.491 -4.075 50 HE1 MET 24 HE1 MET 24 7.254 -14.777 -5.631 51 HE2 MET 24 HE2 MET 24 8.520 -13.612 -5.244 52 HE3 MET 24 HE3 MET 24 6.894 -13.051 -5.636 53 H ILE 25 H ILE 25 3.021 -11.297 -0.532 54 HA ILE 25 HA ILE 25 1.111 -12.899 0.987 55 HB ILE 25 HB ILE 25 2.722 -10.680 2.331 56 HG12 ILE 25 HG13 ILE 25 3.983 -12.823 2.250 57 HG13 ILE 25 HG12 ILE 25 3.629 -12.299 3.885 58 HG21 ILE 25 HG21 ILE 25 0.446 -12.279 3.498 59 HG22 ILE 25 HG22 ILE 25 0.437 -10.563 3.094 60 HG23 ILE 25 HG23 ILE 25 1.470 -11.154 4.394 61 HD11 ILE 25 HD11 ILE 25 3.406 -14.705 3.675 62 HD12 ILE 25 HD12 ILE 25 2.224 -14.508 2.382 63 HD13 ILE 25 HD13 ILE 25 1.835 -13.980 4.019 64 H TYR 26 H TYR 26 -0.885 -11.662 1.342 65 HA TYR 26 HA TYR 26 -0.941 -9.140 -0.179 66 HB2 TYR 26 HB3 TYR 26 -2.230 -11.010 -1.155 67 HB3 TYR 26 HB2 TYR 26 -3.272 -11.020 0.253 68 HD1 TYR 26 HD1 TYR 26 -2.394 -9.296 -2.858 69 HD2 TYR 26 HD2 TYR 26 -4.903 -9.210 0.580 70 HE1 TYR 26 HE1 TYR 26 -3.835 -7.635 -3.957 71 HE2 TYR 26 HE2 TYR 26 -6.350 -7.549 -0.513 72 HH TYR 26 HH TYR 26 -6.153 -6.831 -3.822 73 H ALA 27 H ALA 27 -0.584 -7.752 1.265 74 HA ALA 27 HA ALA 27 -2.478 -7.372 3.480 75 HB1 ALA 27 HB1 ALA 27 -0.689 -6.664 4.978 76 HB2 ALA 27 HB2 ALA 27 0.506 -6.999 3.724 77 HB3 ALA 27 HB3 ALA 27 -0.428 -8.320 4.427 78 HA PRO 28 HA PRO 28 -2.515 -3.212 1.635 79 HB2 PRO 28 HB3 PRO 28 -4.007 -2.259 3.964 80 HB3 PRO 28 HB2 PRO 28 -4.551 -2.411 2.290 81 HG2 PRO 28 HG3 PRO 28 -5.516 -3.998 4.239 82 HG3 PRO 28 HG2 PRO 28 -5.304 -4.567 2.570 83 HD2 PRO 28 HD3 PRO 28 -3.537 -5.029 4.952 84 HD3 PRO 28 HD2 PRO 28 -4.073 -6.172 3.703 85 H ILE 29 H ILE 29 -1.052 -1.584 1.769 86 HA ILE 29 HA ILE 29 0.149 -0.984 4.401 87 HB ILE 29 HB ILE 29 1.654 -0.438 1.870 88 HG12 ILE 29 HG13 ILE 29 0.981 -2.775 1.545 89 HG13 ILE 29 HG12 ILE 29 2.705 -2.657 1.832 90 HG21 ILE 29 HG21 ILE 29 2.262 -0.136 4.563 91 HG22 ILE 29 HG22 ILE 29 3.385 -0.015 3.211 92 HG23 ILE 29 HG23 ILE 29 3.195 -1.545 4.061 93 HD11 ILE 29 HD11 ILE 29 1.685 -4.611 2.925 94 HD12 ILE 29 HD12 ILE 29 0.661 -3.537 3.875 95 HD13 ILE 29 HD13 ILE 29 2.409 -3.507 4.093 96 H CYS 30 H CYS 30 -0.072 1.061 5.144 97 HA CYS 30 HA CYS 30 -0.922 3.172 3.242 98 HB2 CYS 30 HB3 CYS 30 -2.020 2.390 5.649 99 HB3 CYS 30 HB2 CYS 30 -1.068 3.797 6.103 100 H ALA 31 H ALA 31 0.222 5.023 2.978 101 HA ALA 31 HA ALA 31 2.460 5.718 4.682 102 HB1 ALA 31 HB1 ALA 31 4.039 5.847 2.777 103 HB2 ALA 31 HB2 ALA 31 2.836 5.050 1.761 104 HB3 ALA 31 HB3 ALA 31 3.532 4.200 3.137 105 H THR 32 H THR 32 2.834 7.901 4.700 106 HA THR 32 HA THR 32 1.333 9.530 2.754 107 HB THR 32 HB THR 32 0.164 9.625 4.925 108 HG1 THR 32 HG1 THR 32 -0.086 11.467 3.776 109 HG21 THR 32 HG21 THR 32 1.072 10.224 6.937 110 HG22 THR 32 HG22 THR 32 2.254 11.303 6.194 111 HG23 THR 32 HG23 THR 32 2.536 9.565 6.202 112 H ASP 33 H ASP 33 2.306 11.216 1.865 113 HA ASP 33 HA ASP 33 5.060 11.869 2.743 114 HB2 ASP 33 HB3 ASP 33 4.555 10.909 0.370 115 HB3 ASP 33 HB2 ASP 33 3.977 12.532 0.013 116 H GLY 34 H GLY 34 2.702 12.982 3.976 117 HA2 GLY 34 HA3 GLY 34 2.370 15.159 4.902 118 HA3 GLY 34 HA2 GLY 34 3.158 15.858 3.490 119 H VAL 35 H VAL 35 1.878 14.653 1.496 120 HA VAL 35 HA VAL 35 -0.700 15.924 1.320 121 HB VAL 35 HB VAL 35 0.206 16.189 -0.759 122 HG11 VAL 35 HG11 VAL 35 1.868 14.740 -1.830 123 HG12 VAL 35 HG12 VAL 35 1.735 13.607 -0.486 124 HG13 VAL 35 HG13 VAL 35 2.363 15.231 -0.211 125 HG21 VAL 35 HG21 VAL 35 -1.662 14.969 -1.478 126 HG22 VAL 35 HG22 VAL 35 -0.936 13.430 -1.011 127 HG23 VAL 35 HG23 VAL 35 -0.304 14.318 -2.402 128 H SER 36 H SER 36 -2.555 14.529 0.277 129 HA SER 36 HA SER 36 -3.414 12.625 2.132 130 HB2 SER 36 HB3 SER 36 -4.230 12.876 -0.782 131 HB3 SER 36 HB2 SER 36 -5.119 11.976 0.447 132 HG SER 36 HG SER 36 -5.530 13.894 1.519 133 H GLN 37 H GLN 37 -3.146 10.529 2.387 134 HA GLN 37 HA GLN 37 -0.869 9.297 1.151 135 HB2 GLN 37 HB3 GLN 37 -1.637 7.416 2.835 136 HB3 GLN 37 HB2 GLN 37 -0.763 8.827 3.352 137 HG2 GLN 37 HG3 GLN 37 -3.712 8.928 3.381 138 HG3 GLN 37 HG2 GLN 37 -2.904 7.956 4.599 139 HE21 GLN 37 HE22 GLN 37 -1.710 10.972 3.205 140 HE22 GLN 37 HE21 GLN 37 -1.804 11.899 4.645 141 H ARG 38 H ARG 38 -0.806 7.056 0.629 142 HA ARG 38 HA ARG 38 -3.158 6.147 -0.891 143 HB2 ARG 38 HB3 ARG 38 -1.077 7.144 -2.155 144 HB3 ARG 38 HB2 ARG 38 -0.374 5.567 -1.839 145 HG2 ARG 38 HG3 ARG 38 -2.342 4.551 -2.943 146 HG3 ARG 38 HG2 ARG 38 -2.879 6.167 -3.390 147 HD2 ARG 38 HD3 ARG 38 -0.772 6.513 -4.609 148 HD3 ARG 38 HD2 ARG 38 -0.269 4.878 -4.185 149 HE ARG 38 HE ARG 38 -2.718 4.639 -5.446 150 HH11 ARG 38 HH11 ARG 38 0.481 5.797 -6.347 151 HH12 ARG 38 HH12 ARG 38 0.280 5.387 -8.017 152 HH21 ARG 38 HH21 ARG 38 -2.949 4.113 -7.635 153 HH22 ARG 38 HH22 ARG 38 -1.658 4.435 -8.744 154 H THR 39 H THR 39 -3.348 3.889 -1.185 155 HA THR 39 HA THR 39 -1.960 2.287 0.865 156 HB THR 39 HB THR 39 -4.509 1.231 -0.234 157 HG1 THR 39 HG1 THR 39 -5.380 3.191 0.093 158 HG21 THR 39 HG21 THR 39 -4.863 0.578 2.097 159 HG22 THR 39 HG22 THR 39 -3.439 1.499 2.582 160 HG23 THR 39 HG23 THR 39 -3.262 0.083 1.548 161 H PHE 40 H PHE 40 -0.607 0.826 0.112 162 HA PHE 40 HA PHE 40 -0.734 -0.026 -2.688 163 HB2 PHE 40 HB3 PHE 40 1.461 -0.337 -0.616 164 HB3 PHE 40 HB2 PHE 40 1.564 -0.901 -2.269 165 HD1 PHE 40 HD1 PHE 40 1.008 2.259 -0.334 166 HD2 PHE 40 HD2 PHE 40 2.570 0.453 -3.864 167 HE1 PHE 40 HE1 PHE 40 1.988 4.412 -1.003 168 HE2 PHE 40 HE2 PHE 40 3.562 2.611 -4.529 169 HZ PHE 40 HZ PHE 40 3.258 4.589 -3.101 170 H SER 41 H SER 41 -0.133 -2.360 -3.124 171 HA SER 41 HA SER 41 -1.881 -4.100 -1.627 172 HB2 SER 41 HB3 SER 41 -1.601 -4.104 -4.152 173 HB3 SER 41 HB2 SER 41 -0.044 -4.887 -3.892 174 HG SER 41 HG SER 41 -2.216 -6.141 -4.174 175 H ASN 42 H ASN 42 1.496 -3.385 -1.587 176 HA ASN 42 HA ASN 42 2.070 -4.939 0.684 177 HB2 ASN 42 HB3 ASN 42 2.017 -6.628 -1.473 178 HB3 ASN 42 HB2 ASN 42 3.693 -6.099 -1.550 179 HD21 ASN 42 HD22 ASN 42 1.279 -7.521 0.595 180 HD22 ASN 42 HD21 ASN 42 2.396 -8.452 1.528 181 HA PRO 43 HA PRO 43 5.579 -2.091 0.963 182 HB2 PRO 43 HB3 PRO 43 7.696 -3.816 1.576 183 HB3 PRO 43 HB2 PRO 43 6.615 -3.044 2.743 184 HG2 PRO 43 HG3 PRO 43 6.474 -5.792 1.583 185 HG3 PRO 43 HG2 PRO 43 6.150 -5.254 3.246 186 HD2 PRO 43 HD3 PRO 43 4.126 -5.800 1.641 187 HD3 PRO 43 HD2 PRO 43 4.064 -4.363 2.686 188 H CYS 44 H CYS 44 5.876 -4.851 -1.159 189 HA CYS 44 HA CYS 44 8.300 -4.255 -2.468 190 HB2 CYS 44 HB3 CYS 44 7.171 -6.432 -2.649 191 HB3 CYS 44 HB2 CYS 44 5.843 -5.683 -3.522 192 H ASP 45 H ASP 45 4.940 -3.475 -3.383 193 HA ASP 45 HA ASP 45 5.619 -1.891 -5.649 194 HB2 ASP 45 HB3 ASP 45 3.067 -2.231 -4.081 195 HB3 ASP 45 HB2 ASP 45 3.184 -1.156 -5.469 196 H LEU 46 H LEU 46 5.343 -1.158 -2.240 197 HA LEU 46 HA LEU 46 4.966 1.665 -2.554 198 HB2 LEU 46 HB3 LEU 46 4.059 0.397 -0.668 199 HB3 LEU 46 HB2 LEU 46 5.667 -0.065 -0.178 200 HG LEU 46 HG LEU 46 5.194 2.806 -0.368 201 HD11 LEU 46 HD11 LEU 46 3.347 2.872 0.873 202 HD12 LEU 46 HD12 LEU 46 4.331 2.258 2.202 203 HD13 LEU 46 HD13 LEU 46 3.425 1.141 1.191 204 HD21 LEU 46 HD21 LEU 46 7.301 1.741 0.444 205 HD22 LEU 46 HD22 LEU 46 6.403 1.204 1.865 206 HD23 LEU 46 HD23 LEU 46 6.600 2.929 1.545 207 H LYS 47 H LYS 47 7.580 -0.332 -1.206 208 HA LYS 47 HA LYS 47 9.441 1.668 -0.765 209 HB2 LYS 47 HB3 LYS 47 9.457 -1.276 -0.924 210 HB3 LYS 47 HB2 LYS 47 11.015 -0.516 -1.188 211 HG2 LYS 47 HG3 LYS 47 11.219 -0.495 1.038 212 HG3 LYS 47 HG2 LYS 47 10.033 0.803 1.000 213 HD2 LYS 47 HD3 LYS 47 8.232 -0.887 1.195 214 HD3 LYS 47 HD2 LYS 47 9.471 -2.133 1.362 215 HE2 LYS 47 HE3 LYS 47 10.316 -1.031 3.371 216 HE3 LYS 47 HE2 LYS 47 9.097 0.231 3.197 217 HZ1 LYS 47 HZ1 LYS 47 8.550 -2.652 3.660 218 HZ2 LYS 47 HZ2 LYS 47 7.378 -1.444 3.492 219 HZ3 LYS 47 HZ3 LYS 47 8.427 -1.424 4.818 220 H VAL 48 H VAL 48 8.802 -0.189 -3.591 221 HA VAL 48 HA VAL 48 11.025 0.604 -5.175 222 HB VAL 48 HB VAL 48 9.295 -1.353 -5.401 223 HG11 VAL 48 HG11 VAL 48 7.302 -0.058 -5.793 224 HG12 VAL 48 HG12 VAL 48 7.654 -1.115 -7.162 225 HG13 VAL 48 HG13 VAL 48 8.013 0.610 -7.265 226 HG21 VAL 48 HG21 VAL 48 9.950 -1.674 -7.754 227 HG22 VAL 48 HG22 VAL 48 11.300 -1.199 -6.724 228 HG23 VAL 48 HG23 VAL 48 10.539 -0.012 -7.786 229 H TYR 49 H TYR 49 7.826 1.888 -4.616 230 HA TYR 49 HA TYR 49 7.740 3.806 -6.727 231 HB2 TYR 49 HB3 TYR 49 5.937 2.819 -4.904 232 HB3 TYR 49 HB2 TYR 49 6.194 4.455 -4.314 233 HD1 TYR 49 HD2 TYR 49 4.906 2.427 -7.097 234 HD2 TYR 49 HD1 TYR 49 5.442 6.372 -5.588 235 HE1 TYR 49 HE2 TYR 49 3.329 3.279 -8.780 236 HE2 TYR 49 HE1 TYR 49 3.864 7.231 -7.265 237 HH TYR 49 HH TYR 49 1.840 5.227 -9.088 238 H ASN 50 H ASN 50 9.002 3.851 -3.489 239 HA ASN 50 HA ASN 50 9.342 6.673 -3.229 240 HB2 ASN 50 HB3 ASN 50 11.062 4.770 -1.694 241 HB3 ASN 50 HB2 ASN 50 10.273 6.227 -1.158 242 HD21 ASN 50 HD22 ASN 50 7.646 5.385 -2.163 243 HD22 ASN 50 HD21 ASN 50 7.113 4.106 -1.143 244 H CYS 51 H CYS 51 11.279 4.084 -4.490 245 HA CYS 51 HA CYS 51 13.784 5.466 -4.518 246 HB2 CYS 51 HB3 CYS 51 13.402 2.974 -4.350 247 HB3 CYS 51 HB2 CYS 51 13.050 2.992 -6.064 248 H TRP 52 H TRP 52 11.508 4.522 -7.154 249 HA TRP 52 HA TRP 52 13.110 6.087 -9.002 250 HB2 TRP 52 HB3 TRP 52 11.834 5.114 -10.796 251 HB3 TRP 52 HB2 TRP 52 12.475 3.914 -9.713 252 HD1 TRP 52 HD1 TRP 52 10.788 2.218 -8.653 253 HE1 TRP 52 HE1 TRP 52 8.291 1.747 -9.068 254 HE3 TRP 52 HE3 TRP 52 9.632 6.414 -11.290 255 HZ2 TRP 52 HZ2 TRP 52 6.110 3.001 -10.372 256 HZ3 TRP 52 HZ3 TRP 52 7.323 6.710 -12.101 257 HH2 TRP 52 HH2 TRP 52 5.598 5.040 -11.648 258 H ASN 53 H ASN 53 10.455 6.771 -7.145 259 HA ASN 53 HA ASN 53 9.609 8.983 -8.857 260 HB2 ASN 53 HB3 ASN 53 8.297 7.842 -6.378 261 HB3 ASN 53 HB2 ASN 53 7.700 9.220 -7.279 262 HD21 ASN 53 HD22 ASN 53 8.771 5.905 -7.906 263 HD22 ASN 53 HD21 ASN 53 7.499 5.517 -9.003 264 HA PRO 54 HA PRO 54 12.389 11.179 -5.810 265 HB2 PRO 54 HB3 PRO 54 13.173 13.160 -7.483 266 HB3 PRO 54 HB2 PRO 54 13.910 11.549 -7.525 267 HG2 PRO 54 HG3 PRO 54 11.724 12.644 -9.267 268 HG3 PRO 54 HG2 PRO 54 13.200 11.794 -9.748 269 HD2 PRO 54 HD3 PRO 54 10.883 10.488 -9.583 270 HD3 PRO 54 HD2 PRO 54 12.397 9.721 -9.072 271 H ASP 55 H ASP 55 10.034 12.618 -8.038 272 HA ASP 55 HA ASP 55 9.586 14.960 -6.407 273 HB2 ASP 55 HB3 ASP 55 8.384 13.948 -8.970 274 HB3 ASP 55 HB2 ASP 55 7.727 15.353 -8.139 275 H ASN 56 H ASN 56 7.934 11.854 -6.839 276 HA ASN 56 HA ASN 56 5.987 12.718 -4.807 277 HB2 ASN 56 HB3 ASN 56 5.215 12.437 -7.354 278 HB3 ASN 56 HB2 ASN 56 5.049 10.764 -6.849 279 HD21 ASN 56 HD22 ASN 56 3.856 13.979 -6.521 280 HD22 ASN 56 HD21 ASN 56 2.438 13.577 -5.626 281 HA PRO 57 HA PRO 57 7.829 8.573 -3.491 282 HB2 PRO 57 HB3 PRO 57 9.049 9.830 -1.191 283 HB3 PRO 57 HB2 PRO 57 9.854 9.037 -2.549 284 HG2 PRO 57 HG3 PRO 57 10.042 11.715 -2.072 285 HG3 PRO 57 HG2 PRO 57 10.179 10.995 -3.688 286 HD2 PRO 57 HD3 PRO 57 7.799 12.307 -2.414 287 HD3 PRO 57 HD2 PRO 57 8.440 12.498 -4.062 288 H TYR 58 H TYR 58 7.474 7.410 -1.333 289 HA TYR 58 HA TYR 58 5.329 8.648 0.263 290 HB2 TYR 58 HB3 TYR 58 5.400 5.851 -0.869 291 HB3 TYR 58 HB2 TYR 58 4.388 6.285 0.505 292 HD1 TYR 58 HD1 TYR 58 2.451 7.743 0.218 293 HD2 TYR 58 HD2 TYR 58 4.863 6.638 -3.112 294 HE1 TYR 58 HE1 TYR 58 0.690 8.520 -1.307 295 HE2 TYR 58 HE2 TYR 58 3.106 7.414 -4.646 296 HH TYR 58 HH TYR 58 0.475 9.298 -3.628 297 H LYS 59 H LYS 59 5.332 8.234 2.451 298 HA LYS 59 HA LYS 59 7.715 6.856 3.484 299 HB2 LYS 59 HB3 LYS 59 6.242 9.275 4.533 300 HB3 LYS 59 HB2 LYS 59 7.428 8.396 5.474 301 HG2 LYS 59 HG3 LYS 59 9.154 8.909 3.848 302 HG3 LYS 59 HG2 LYS 59 7.969 9.746 2.842 303 HD2 LYS 59 HD3 LYS 59 7.576 11.348 4.661 304 HD3 LYS 59 HD2 LYS 59 8.785 10.519 5.644 305 HE2 LYS 59 HE3 LYS 59 10.497 11.041 3.981 306 HE3 LYS 59 HE2 LYS 59 9.291 11.853 2.985 307 HZ1 LYS 59 HZ1 LYS 59 10.568 13.434 4.282 308 HZ2 LYS 59 HZ2 LYS 59 10.109 12.672 5.720 309 HZ3 LYS 59 HZ3 LYS 59 8.948 13.450 4.767 310 H GLU 60 H GLU 60 7.390 5.114 4.696 311 HA GLU 60 HA GLU 60 4.887 3.957 5.097 312 HB2 GLU 60 HB3 GLU 60 6.942 2.695 4.750 313 HB3 GLU 60 HB2 GLU 60 7.602 3.299 6.259 314 HG2 GLU 60 HG3 GLU 60 6.926 1.123 6.745 315 HG3 GLU 60 HG2 GLU 60 5.646 2.152 7.377 316 H VAL 61 H VAL 61 3.388 4.444 6.483 317 HA VAL 61 HA VAL 61 4.009 5.568 9.121 318 HB VAL 61 HB VAL 61 1.289 5.434 7.792 319 HG11 VAL 61 HG11 VAL 61 1.403 5.852 10.274 320 HG12 VAL 61 HG12 VAL 61 0.580 7.097 9.335 321 HG13 VAL 61 HG13 VAL 61 2.224 7.367 9.902 322 HG21 VAL 61 HG21 VAL 61 3.215 6.778 6.594 323 HG22 VAL 61 HG22 VAL 61 2.837 7.974 7.832 324 HG23 VAL 61 HG23 VAL 61 1.581 7.438 6.713 325 H LYS 62 H LYS 62 2.005 3.047 7.588 326 HA LYS 62 HA LYS 62 2.333 1.111 9.637 327 HB2 LYS 62 HB3 LYS 62 0.551 3.013 10.460 328 HB3 LYS 62 HB2 LYS 62 -0.520 1.916 9.588 329 HG2 LYS 62 HG3 LYS 62 0.196 0.070 11.016 330 HG3 LYS 62 HG2 LYS 62 1.305 1.146 11.869 331 HD2 LYS 62 HD3 LYS 62 -0.590 2.508 12.614 332 HD3 LYS 62 HD2 LYS 62 -1.698 1.432 11.758 333 HE2 LYS 62 HE3 LYS 62 -1.787 0.709 13.987 334 HE3 LYS 62 HE2 LYS 62 -0.705 -0.436 13.197 335 HZ1 LYS 62 HZ1 LYS 62 0.167 0.276 15.332 336 HZ2 LYS 62 HZ2 LYS 62 0.141 1.892 14.839 337 HZ3 LYS 62 HZ3 LYS 62 1.181 0.795 14.081 338 H VAL 63 H VAL 63 0.666 -0.762 9.302 339 HA VAL 63 HA VAL 63 0.013 -0.878 6.441 340 HB VAL 63 HB VAL 63 -0.083 -3.387 6.723 341 HG11 VAL 63 HG11 VAL 63 2.608 -2.275 7.480 342 HG12 VAL 63 HG12 VAL 63 1.910 -2.107 5.873 343 HG13 VAL 63 HG13 VAL 63 2.256 -3.710 6.516 344 HG21 VAL 63 HG21 VAL 63 0.927 -4.440 8.646 345 HG22 VAL 63 HG22 VAL 63 -0.399 -3.404 9.182 346 HG23 VAL 63 HG23 VAL 63 1.270 -2.867 9.370 347 H GLY 64 H GLY 64 -1.916 -0.104 6.239 348 HA2 GLY 64 HA3 GLY 64 -4.244 -1.508 6.807 349 HA3 GLY 64 HA2 GLY 64 -4.064 -0.300 8.074 350 H GLU 65 H GLU 65 -6.092 0.522 7.192 351 HA GLU 65 HA GLU 65 -5.676 2.229 4.833 352 HB2 GLU 65 HB3 GLU 65 -8.118 0.971 6.018 353 HB3 GLU 65 HB2 GLU 65 -8.293 2.527 5.217 354 HG2 GLU 65 HG3 GLU 65 -8.741 1.075 3.495 355 HG3 GLU 65 HG2 GLU 65 -7.016 1.362 3.270 356 H CYS 66 H CYS 66 -4.857 4.076 5.462 357 HA CYS 66 HA CYS 66 -5.769 5.300 7.964 358 HB2 CYS 66 HB3 CYS 66 -3.676 6.504 7.987 359 HB3 CYS 66 HB2 CYS 66 -3.367 4.790 7.791 360 H ASP 67 H ASP 67 -6.259 7.467 8.120 361 HA ASP 67 HA ASP 67 -7.093 8.773 5.617 362 HB2 ASP 67 HB3 ASP 67 -8.714 8.107 7.621 363 HB3 ASP 67 HB2 ASP 67 -8.137 9.627 8.292 364 H ASP 68 H ASP 68 -7.181 11.297 5.923 365 HA ASP 68 HA ASP 68 -4.504 12.188 6.381 366 HB2 ASP 68 HB3 ASP 68 -5.419 14.453 5.753 367 HB3 ASP 68 HB2 ASP 68 -5.667 13.187 4.559 368 H ALA 69 H ALA 69 -6.990 11.747 8.568 369 HA ALA 69 HA ALA 69 -6.264 13.975 10.321 370 HB1 ALA 69 HB1 ALA 69 -8.173 13.287 11.669 371 HB2 ALA 69 HB2 ALA 69 -8.392 11.861 10.656 372 HB3 ALA 69 HB3 ALA 69 -8.638 13.470 9.978 373 H ASN 70 H ASN 70 -4.670 11.340 9.722 374 HA ASN 70 HA ASN 70 -4.310 10.354 12.450 375 HB2 ASN 70 HB3 ASN 70 -3.563 9.252 9.743 376 HB3 ASN 70 HB2 ASN 70 -2.865 8.605 11.222 377 HD21 ASN 70 HD22 ASN 70 -4.722 7.515 9.135 378 HD22 ASN 70 HD21 ASN 70 -6.053 6.869 10.028 379 H LYS 71 H LYS 71 -2.140 9.980 13.221 380 HA LYS 71 HA LYS 71 -0.385 12.234 12.704 381 HB2 LYS 71 HB3 LYS 71 -1.133 11.063 15.006 382 HB3 LYS 71 HB2 LYS 71 0.347 10.166 14.705 383 HG2 LYS 71 HG3 LYS 71 1.591 12.282 14.591 384 HG3 LYS 71 HG2 LYS 71 0.102 13.164 14.929 385 HD2 LYS 71 HD3 LYS 71 0.631 12.972 17.105 386 HD3 LYS 71 HD2 LYS 71 0.243 11.257 16.949 387 HE2 LYS 71 HE3 LYS 71 2.586 10.803 16.346 388 HE3 LYS 71 HE2 LYS 71 2.959 12.514 16.553 389 HZ1 LYS 71 HZ1 LYS 71 2.324 12.333 18.878 390 HZ2 LYS 71 HZ2 LYS 71 3.557 11.236 18.512 391 HZ3 LYS 71 HZ3 LYS 71 1.965 10.692 18.679 392 HA PRO 72 HA PRO 72 2.416 9.769 10.133 393 HB2 PRO 72 HB3 PRO 72 4.563 11.672 10.765 394 HB3 PRO 72 HB2 PRO 72 3.796 11.335 9.208 395 HG2 PRO 72 HG3 PRO 72 3.381 13.655 10.473 396 HG3 PRO 72 HG2 PRO 72 2.093 12.855 9.548 397 HD2 PRO 72 HD3 PRO 72 2.544 12.869 12.516 398 HD3 PRO 72 HD2 PRO 72 1.038 13.106 11.602 399 H VAL 73 H VAL 73 3.657 8.065 10.500 400 HA VAL 73 HA VAL 73 5.121 7.876 13.037 401 HB VAL 73 HB VAL 73 4.166 5.508 11.406 402 HG11 VAL 73 HG11 VAL 73 4.473 4.250 13.489 403 HG12 VAL 73 HG12 VAL 73 5.073 5.708 14.279 404 HG13 VAL 73 HG13 VAL 73 5.983 4.987 12.951 405 HG21 VAL 73 HG21 VAL 73 2.275 5.285 12.849 406 HG22 VAL 73 HG22 VAL 73 2.266 6.933 12.219 407 HG23 VAL 73 HG23 VAL 73 2.821 6.621 13.862 Start of MODEL 4 1 H CYS 18 H CYS 18 18.873 1.808 -1.607 2 HA CYS 18 HA CYS 18 16.019 1.793 -1.571 3 HB2 CYS 18 HB3 CYS 18 17.232 0.910 -4.195 4 HB3 CYS 18 HB2 CYS 18 15.539 1.146 -3.799 5 H GLN 19 H GLN 19 15.442 -0.118 -0.883 6 HA GLN 19 HA GLN 19 17.176 -2.399 -1.364 7 HB2 GLN 19 HB3 GLN 19 16.479 -3.108 1.054 8 HB3 GLN 19 HB2 GLN 19 17.752 -1.913 0.811 9 HG2 GLN 19 HG3 GLN 19 16.627 -0.825 2.433 10 HG3 GLN 19 HG2 GLN 19 15.699 -0.244 1.063 11 HE21 GLN 19 HE22 GLN 19 15.744 -2.366 3.794 12 HE22 GLN 19 HE21 GLN 19 14.048 -2.663 3.828 13 H LEU 20 H LEU 20 16.121 -3.541 -2.681 14 HA LEU 20 HA LEU 20 13.249 -3.771 -2.643 15 HB2 LEU 20 HB3 LEU 20 14.705 -3.311 -4.714 16 HB3 LEU 20 HB2 LEU 20 15.103 -5.009 -4.670 17 HG LEU 20 HG LEU 20 13.279 -4.205 -6.312 18 HD11 LEU 20 HD11 LEU 20 12.733 -6.545 -4.502 19 HD12 LEU 20 HD12 LEU 20 13.749 -6.542 -5.944 20 HD13 LEU 20 HD13 LEU 20 12.009 -6.282 -6.089 21 HD21 LEU 20 HD21 LEU 20 11.454 -4.482 -3.938 22 HD22 LEU 20 HD22 LEU 20 11.059 -3.952 -5.574 23 HD23 LEU 20 HD23 LEU 20 12.024 -2.917 -4.520 24 H PHE 21 H PHE 21 12.647 -5.040 -1.137 25 HA PHE 21 HA PHE 21 13.236 -7.898 -1.350 26 HB2 PHE 21 HB3 PHE 21 13.160 -8.198 1.052 27 HB3 PHE 21 HB2 PHE 21 14.334 -6.947 0.696 28 HD1 PHE 21 HD1 PHE 21 13.657 -4.516 1.098 29 HD2 PHE 21 HD2 PHE 21 11.401 -7.827 2.546 30 HE1 PHE 21 HE1 PHE 21 12.561 -3.052 2.745 31 HE2 PHE 21 HE2 PHE 21 10.304 -6.365 4.187 32 HZ PHE 21 HZ PHE 21 10.882 -3.975 4.288 33 H CYS 22 H CYS 22 11.507 -8.552 -2.417 34 HA CYS 22 HA CYS 22 8.885 -7.462 -1.733 35 HB2 CYS 22 HB3 CYS 22 9.879 -8.875 -4.189 36 HB3 CYS 22 HB2 CYS 22 8.182 -8.489 -3.919 37 HA PRO 23 HA PRO 23 7.942 -11.632 -0.045 38 HB2 PRO 23 HB3 PRO 23 6.282 -10.391 1.937 39 HB3 PRO 23 HB2 PRO 23 7.849 -11.165 2.187 40 HG2 PRO 23 HG3 PRO 23 7.387 -8.472 2.525 41 HG3 PRO 23 HG2 PRO 23 8.974 -9.190 2.195 42 HD2 PRO 23 HD3 PRO 23 7.087 -7.839 0.299 43 HD3 PRO 23 HD2 PRO 23 8.861 -7.751 0.395 44 H MET 24 H MET 24 6.070 -12.848 -0.493 45 HA MET 24 HA MET 24 3.862 -11.330 -1.687 46 HB2 MET 24 HB3 MET 24 3.189 -13.571 -2.701 47 HB3 MET 24 HB2 MET 24 4.658 -12.828 -3.303 48 HG2 MET 24 HG3 MET 24 5.992 -14.363 -1.924 49 HG3 MET 24 HG2 MET 24 4.509 -15.108 -1.332 50 HE1 MET 24 HE1 MET 24 6.021 -17.861 -3.687 51 HE2 MET 24 HE2 MET 24 5.439 -17.497 -2.062 52 HE3 MET 24 HE3 MET 24 6.915 -16.740 -2.661 53 H ILE 25 H ILE 25 2.672 -10.724 -0.004 54 HA ILE 25 HA ILE 25 0.882 -12.705 1.182 55 HB ILE 25 HB ILE 25 2.430 -10.841 3.045 56 HG12 ILE 25 HG13 ILE 25 2.863 -13.332 4.067 57 HG13 ILE 25 HG12 ILE 25 2.879 -13.678 2.341 58 HG21 ILE 25 HG21 ILE 25 0.135 -11.165 3.778 59 HG22 ILE 25 HG22 ILE 25 1.249 -11.986 4.870 60 HG23 ILE 25 HG23 ILE 25 0.333 -12.915 3.685 61 HD11 ILE 25 HD11 ILE 25 4.594 -11.614 3.705 62 HD12 ILE 25 HD12 ILE 25 4.652 -12.080 2.005 63 HD13 ILE 25 HD13 ILE 25 5.113 -13.238 3.251 64 H TYR 26 H TYR 26 -1.180 -11.782 1.183 65 HA TYR 26 HA TYR 26 -1.321 -9.041 0.263 66 HB2 TYR 26 HB3 TYR 26 -2.717 -10.866 -0.659 67 HB3 TYR 26 HB2 TYR 26 -3.633 -10.898 0.834 68 HD1 TYR 26 HD2 TYR 26 -2.967 -9.067 -2.275 69 HD2 TYR 26 HD1 TYR 26 -5.200 -9.088 1.349 70 HE1 TYR 26 HE2 TYR 26 -4.455 -7.335 -3.187 71 HE2 TYR 26 HE1 TYR 26 -6.695 -7.358 0.444 72 HH TYR 26 HH TYR 26 -6.736 -6.497 -2.839 73 H ALA 27 H ALA 27 -0.800 -7.742 1.685 74 HA ALA 27 HA ALA 27 -2.491 -7.303 4.043 75 HB1 ALA 27 HB1 ALA 27 -0.550 -6.641 5.377 76 HB2 ALA 27 HB2 ALA 27 0.519 -7.047 4.035 77 HB3 ALA 27 HB3 ALA 27 -0.405 -8.316 4.839 78 HA PRO 28 HA PRO 28 -2.562 -3.287 1.824 79 HB2 PRO 28 HB3 PRO 28 -4.266 -2.360 4.043 80 HB3 PRO 28 HB2 PRO 28 -4.627 -2.430 2.313 81 HG2 PRO 28 HG3 PRO 28 -5.812 -4.101 4.030 82 HG3 PRO 28 HG2 PRO 28 -5.343 -4.623 2.397 83 HD2 PRO 28 HD3 PRO 28 -3.948 -5.128 5.006 84 HD3 PRO 28 HD2 PRO 28 -4.259 -6.239 3.654 85 H ILE 29 H ILE 29 -1.163 -1.620 2.001 86 HA ILE 29 HA ILE 29 -0.215 -0.894 4.690 87 HB ILE 29 HB ILE 29 1.451 -2.224 3.408 88 HG12 ILE 29 HG13 ILE 29 2.772 0.432 3.609 89 HG13 ILE 29 HG12 ILE 29 1.956 -0.148 5.052 90 HG21 ILE 29 HG21 ILE 29 1.008 -1.543 1.147 91 HG22 ILE 29 HG22 ILE 29 2.690 -1.184 1.534 92 HG23 ILE 29 HG23 ILE 29 1.496 0.113 1.503 93 HD11 ILE 29 HD11 ILE 29 4.234 -1.438 3.578 94 HD12 ILE 29 HD12 ILE 29 3.306 -2.263 4.828 95 HD13 ILE 29 HD13 ILE 29 4.218 -0.807 5.225 96 H CYS 30 H CYS 30 -0.137 1.207 5.276 97 HA CYS 30 HA CYS 30 -1.043 3.213 3.304 98 HB2 CYS 30 HB3 CYS 30 -1.896 2.576 5.897 99 HB3 CYS 30 HB2 CYS 30 -1.015 4.086 6.070 100 H ALA 31 H ALA 31 0.139 5.021 2.871 101 HA ALA 31 HA ALA 31 2.550 5.643 4.375 102 HB1 ALA 31 HB1 ALA 31 3.177 4.058 2.523 103 HB2 ALA 31 HB2 ALA 31 4.018 5.604 2.505 104 HB3 ALA 31 HB3 ALA 31 2.690 5.307 1.383 105 H THR 32 H THR 32 2.972 7.811 4.402 106 HA THR 32 HA THR 32 1.241 9.514 2.728 107 HB THR 32 HB THR 32 0.389 9.627 4.986 108 HG1 THR 32 HG1 THR 32 1.272 12.052 5.284 109 HG21 THR 32 HG21 THR 32 2.555 9.044 6.169 110 HG22 THR 32 HG22 THR 32 1.614 10.335 6.912 111 HG23 THR 32 HG23 THR 32 3.035 10.726 5.945 112 H ASP 33 H ASP 33 2.040 11.229 1.760 113 HA ASP 33 HA ASP 33 4.942 11.771 2.004 114 HB2 ASP 33 HB3 ASP 33 3.347 12.860 -0.288 115 HB3 ASP 33 HB2 ASP 33 5.016 12.314 -0.258 116 H GLY 34 H GLY 34 2.658 12.852 3.687 117 HA2 GLY 34 HA3 GLY 34 2.612 14.945 4.861 118 HA3 GLY 34 HA2 GLY 34 3.275 15.734 3.431 119 H VAL 35 H VAL 35 1.594 14.444 1.619 120 HA VAL 35 HA VAL 35 -0.877 15.942 1.741 121 HB VAL 35 HB VAL 35 -1.061 14.772 -0.615 122 HG11 VAL 35 HG11 VAL 35 0.856 17.016 -0.043 123 HG12 VAL 35 HG12 VAL 35 -0.878 17.156 -0.327 124 HG13 VAL 35 HG13 VAL 35 0.190 16.636 -1.631 125 HG21 VAL 35 HG21 VAL 35 0.939 13.309 -0.170 126 HG22 VAL 35 HG22 VAL 35 1.931 14.761 -0.326 127 HG23 VAL 35 HG23 VAL 35 0.974 14.197 -1.697 128 H SER 36 H SER 36 -2.909 14.616 0.849 129 HA SER 36 HA SER 36 -3.587 12.638 2.689 130 HB2 SER 36 HB3 SER 36 -5.171 13.913 1.154 131 HB3 SER 36 HB2 SER 36 -4.724 12.776 -0.118 132 HG SER 36 HG SER 36 -6.658 12.240 1.129 133 H GLN 37 H GLN 37 -3.248 10.548 2.858 134 HA GLN 37 HA GLN 37 -1.137 9.362 1.334 135 HB2 GLN 37 HB3 GLN 37 -1.801 7.404 3.028 136 HB3 GLN 37 HB2 GLN 37 -0.776 8.742 3.459 137 HG2 GLN 37 HG3 GLN 37 -3.680 9.060 3.875 138 HG3 GLN 37 HG2 GLN 37 -2.816 7.962 4.941 139 HE21 GLN 37 HE22 GLN 37 -1.637 10.965 3.501 140 HE22 GLN 37 HE21 GLN 37 -1.395 11.801 4.983 141 H ARG 38 H ARG 38 -1.125 7.122 0.760 142 HA ARG 38 HA ARG 38 -3.602 6.198 -0.522 143 HB2 ARG 38 HB3 ARG 38 -1.719 7.380 -1.980 144 HB3 ARG 38 HB2 ARG 38 -0.992 5.784 -1.911 145 HG2 ARG 38 HG3 ARG 38 -3.089 4.847 -2.794 146 HG3 ARG 38 HG2 ARG 38 -3.717 6.481 -2.976 147 HD2 ARG 38 HD3 ARG 38 -1.143 5.601 -4.264 148 HD3 ARG 38 HD2 ARG 38 -2.704 5.384 -5.052 149 HE ARG 38 HE ARG 38 -2.107 8.080 -4.157 150 HH11 ARG 38 HH11 ARG 38 -2.054 5.842 -6.872 151 HH12 ARG 38 HH12 ARG 38 -1.976 7.104 -8.055 152 HH21 ARG 38 HH21 ARG 38 -1.998 9.708 -5.729 153 HH22 ARG 38 HH22 ARG 38 -1.944 9.288 -7.407 154 H THR 39 H THR 39 -3.698 3.951 -0.948 155 HA THR 39 HA THR 39 -2.015 2.322 0.842 156 HB THR 39 HB THR 39 -4.520 1.118 -0.184 157 HG1 THR 39 HG1 THR 39 -5.384 3.126 0.271 158 HG21 THR 39 HG21 THR 39 -3.329 1.328 2.587 159 HG22 THR 39 HG22 THR 39 -3.081 -0.008 1.462 160 HG23 THR 39 HG23 THR 39 -4.688 0.308 2.116 161 H PHE 40 H PHE 40 -0.695 0.868 -0.029 162 HA PHE 40 HA PHE 40 -0.799 0.324 -2.902 163 HB2 PHE 40 HB3 PHE 40 1.342 -0.316 -0.843 164 HB3 PHE 40 HB2 PHE 40 1.456 -0.680 -2.548 165 HD1 PHE 40 HD1 PHE 40 0.876 2.297 -0.331 166 HD2 PHE 40 HD2 PHE 40 2.670 0.760 -3.883 167 HE1 PHE 40 HE1 PHE 40 1.955 4.470 -0.728 168 HE2 PHE 40 HE2 PHE 40 3.760 2.937 -4.271 169 HZ PHE 40 HZ PHE 40 3.392 4.792 -2.698 170 H SER 41 H SER 41 -0.369 -1.942 -3.641 171 HA SER 41 HA SER 41 -2.210 -3.778 -2.473 172 HB2 SER 41 HB3 SER 41 -1.583 -3.594 -4.933 173 HB3 SER 41 HB2 SER 41 -0.100 -4.455 -4.526 174 HG SER 41 HG SER 41 -2.215 -5.614 -5.214 175 H ASN 42 H ASN 42 1.208 -3.260 -2.125 176 HA ASN 42 HA ASN 42 1.485 -4.909 0.153 177 HB2 ASN 42 HB3 ASN 42 1.962 -6.294 -2.364 178 HB3 ASN 42 HB2 ASN 42 3.465 -6.164 -1.467 179 HD21 ASN 42 HD22 ASN 42 0.354 -7.568 -1.676 180 HD22 ASN 42 HD21 ASN 42 0.514 -8.657 -0.346 181 HA PRO 43 HA PRO 43 5.019 -2.236 0.912 182 HB2 PRO 43 HB3 PRO 43 7.007 -4.065 1.637 183 HB3 PRO 43 HB2 PRO 43 5.831 -3.327 2.733 184 HG2 PRO 43 HG3 PRO 43 5.753 -6.007 1.418 185 HG3 PRO 43 HG2 PRO 43 5.247 -5.539 3.056 186 HD2 PRO 43 HD3 PRO 43 3.429 -5.956 1.168 187 HD3 PRO 43 HD2 PRO 43 3.241 -4.610 2.313 188 H CYS 44 H CYS 44 5.523 -4.973 -1.241 189 HA CYS 44 HA CYS 44 8.049 -4.365 -2.311 190 HB2 CYS 44 HB3 CYS 44 7.000 -6.515 -2.695 191 HB3 CYS 44 HB2 CYS 44 5.665 -5.760 -3.551 192 H ASP 45 H ASP 45 4.808 -3.410 -3.435 193 HA ASP 45 HA ASP 45 5.687 -1.862 -5.655 194 HB2 ASP 45 HB3 ASP 45 3.064 -2.117 -4.206 195 HB3 ASP 45 HB2 ASP 45 3.282 -0.950 -5.507 196 H LEU 46 H LEU 46 5.320 -1.130 -2.263 197 HA LEU 46 HA LEU 46 5.024 1.686 -2.493 198 HB2 LEU 46 HB3 LEU 46 4.229 0.335 -0.603 199 HB3 LEU 46 HB2 LEU 46 5.871 -0.097 -0.201 200 HG LEU 46 HG LEU 46 5.225 2.763 -0.286 201 HD11 LEU 46 HD11 LEU 46 3.349 2.314 0.949 202 HD12 LEU 46 HD12 LEU 46 4.564 2.417 2.228 203 HD13 LEU 46 HD13 LEU 46 4.039 0.845 1.638 204 HD21 LEU 46 HD21 LEU 46 6.853 1.105 1.627 205 HD22 LEU 46 HD22 LEU 46 6.732 2.867 1.633 206 HD23 LEU 46 HD23 LEU 46 7.478 2.040 0.266 207 H LYS 47 H LYS 47 7.732 -0.299 -1.280 208 HA LYS 47 HA LYS 47 9.601 1.686 -0.946 209 HB2 LYS 47 HB3 LYS 47 10.339 -1.116 -1.775 210 HB3 LYS 47 HB2 LYS 47 11.207 -0.035 -0.727 211 HG2 LYS 47 HG3 LYS 47 8.577 -1.322 -0.034 212 HG3 LYS 47 HG2 LYS 47 10.147 -1.939 0.443 213 HD2 LYS 47 HD3 LYS 47 9.318 0.850 1.196 214 HD3 LYS 47 HD2 LYS 47 8.762 -0.530 2.139 215 HE2 LYS 47 HE3 LYS 47 11.048 -1.170 2.608 216 HE3 LYS 47 HE2 LYS 47 11.641 0.118 1.561 217 HZ1 LYS 47 HZ1 LYS 47 11.757 0.742 3.896 218 HZ2 LYS 47 HZ2 LYS 47 10.091 0.508 4.064 219 HZ3 LYS 47 HZ3 LYS 47 10.674 1.742 3.065 220 H VAL 48 H VAL 48 8.952 -0.285 -3.766 221 HA VAL 48 HA VAL 48 11.045 0.534 -5.444 222 HB VAL 48 HB VAL 48 9.226 -1.343 -5.621 223 HG11 VAL 48 HG11 VAL 48 7.530 -1.022 -7.310 224 HG12 VAL 48 HG12 VAL 48 7.965 0.683 -7.429 225 HG13 VAL 48 HG13 VAL 48 7.281 0.051 -5.931 226 HG21 VAL 48 HG21 VAL 48 10.453 -0.031 -8.029 227 HG22 VAL 48 HG22 VAL 48 9.775 -1.658 -8.007 228 HG23 VAL 48 HG23 VAL 48 11.182 -1.276 -7.013 229 H TYR 49 H TYR 49 7.928 1.961 -4.759 230 HA TYR 49 HA TYR 49 7.879 3.898 -6.855 231 HB2 TYR 49 HB3 TYR 49 6.085 2.994 -4.975 232 HB3 TYR 49 HB2 TYR 49 6.438 4.618 -4.402 233 HD1 TYR 49 HD1 TYR 49 5.787 6.571 -5.710 234 HD2 TYR 49 HD2 TYR 49 4.920 2.636 -7.086 235 HE1 TYR 49 HE1 TYR 49 4.201 7.496 -7.344 236 HE2 TYR 49 HE2 TYR 49 3.334 3.554 -8.725 237 HH TYR 49 HH TYR 49 3.179 6.857 -9.485 238 H ASN 50 H ASN 50 9.244 3.836 -3.664 239 HA ASN 50 HA ASN 50 9.740 6.629 -3.380 240 HB2 ASN 50 HB3 ASN 50 11.354 4.585 -1.909 241 HB3 ASN 50 HB2 ASN 50 10.716 6.101 -1.342 242 HD21 ASN 50 HD22 ASN 50 7.996 5.462 -2.336 243 HD22 ASN 50 HD21 ASN 50 7.379 4.240 -1.295 244 H CYS 51 H CYS 51 11.523 3.961 -4.719 245 HA CYS 51 HA CYS 51 14.097 5.199 -4.769 246 HB2 CYS 51 HB3 CYS 51 13.630 2.738 -4.680 247 HB3 CYS 51 HB2 CYS 51 13.148 2.824 -6.362 248 H TRP 52 H TRP 52 11.773 4.435 -7.422 249 HA TRP 52 HA TRP 52 13.406 6.020 -9.220 250 HB2 TRP 52 HB3 TRP 52 12.062 5.166 -11.033 251 HB3 TRP 52 HB2 TRP 52 12.701 3.910 -10.013 252 HD1 TRP 52 HD1 TRP 52 10.995 2.233 -8.932 253 HE1 TRP 52 HE1 TRP 52 8.479 1.828 -9.308 254 HE3 TRP 52 HE3 TRP 52 9.899 6.501 -11.470 255 HZ2 TRP 52 HZ2 TRP 52 6.305 3.162 -10.555 256 HZ3 TRP 52 HZ3 TRP 52 7.585 6.870 -12.238 257 HH2 TRP 52 HH2 TRP 52 5.825 5.237 -11.786 258 H ASN 53 H ASN 53 10.793 6.727 -7.317 259 HA ASN 53 HA ASN 53 10.016 9.042 -8.928 260 HB2 ASN 53 HB3 ASN 53 8.693 7.849 -6.481 261 HB3 ASN 53 HB2 ASN 53 8.132 9.278 -7.324 262 HD21 ASN 53 HD22 ASN 53 9.079 5.949 -8.084 263 HD22 ASN 53 HD21 ASN 53 7.778 5.644 -9.171 264 HA PRO 54 HA PRO 54 12.922 10.984 -5.819 265 HB2 PRO 54 HB3 PRO 54 13.765 13.010 -7.410 266 HB3 PRO 54 HB2 PRO 54 14.444 11.377 -7.528 267 HG2 PRO 54 HG3 PRO 54 12.279 12.621 -9.198 268 HG3 PRO 54 HG2 PRO 54 13.721 11.745 -9.732 269 HD2 PRO 54 HD3 PRO 54 11.371 10.505 -9.605 270 HD3 PRO 54 HD2 PRO 54 12.860 9.670 -9.125 271 H ASP 55 H ASP 55 10.611 12.626 -7.949 272 HA ASP 55 HA ASP 55 10.293 14.937 -6.269 273 HB2 ASP 55 HB3 ASP 55 8.907 13.963 -8.752 274 HB3 ASP 55 HB2 ASP 55 8.335 15.381 -7.880 275 H ASN 56 H ASN 56 8.531 11.883 -6.589 276 HA ASN 56 HA ASN 56 6.719 12.805 -4.455 277 HB2 ASN 56 HB3 ASN 56 5.795 12.498 -6.935 278 HB3 ASN 56 HB2 ASN 56 5.689 10.814 -6.430 279 HD21 ASN 56 HD22 ASN 56 4.265 10.243 -4.778 280 HD22 ASN 56 HD21 ASN 56 2.979 11.284 -4.279 281 HA PRO 57 HA PRO 57 8.622 8.701 -3.141 282 HB2 PRO 57 HB3 PRO 57 9.857 9.992 -0.872 283 HB3 PRO 57 HB2 PRO 57 10.652 9.207 -2.241 284 HG2 PRO 57 HG3 PRO 57 10.796 11.894 -1.782 285 HG3 PRO 57 HG2 PRO 57 10.928 11.163 -3.394 286 HD2 PRO 57 HD3 PRO 57 8.541 12.447 -2.102 287 HD3 PRO 57 HD2 PRO 57 9.154 12.623 -3.764 288 H TYR 58 H TYR 58 7.625 7.350 -1.659 289 HA TYR 58 HA TYR 58 5.662 8.587 0.141 290 HB2 TYR 58 HB3 TYR 58 5.899 5.832 -1.043 291 HB3 TYR 58 HB2 TYR 58 4.885 6.130 0.365 292 HD1 TYR 58 HD2 TYR 58 5.291 6.762 -3.239 293 HD2 TYR 58 HD1 TYR 58 2.818 7.351 0.175 294 HE1 TYR 58 HE2 TYR 58 3.437 7.444 -4.704 295 HE2 TYR 58 HE1 TYR 58 0.959 8.031 -1.278 296 HH TYR 58 HH TYR 58 0.629 8.946 -3.541 297 H LYS 59 H LYS 59 5.560 8.195 2.297 298 HA LYS 59 HA LYS 59 7.830 6.770 3.500 299 HB2 LYS 59 HB3 LYS 59 6.496 9.347 4.245 300 HB3 LYS 59 HB2 LYS 59 7.243 8.370 5.494 301 HG2 LYS 59 HG3 LYS 59 9.370 8.449 4.274 302 HG3 LYS 59 HG2 LYS 59 8.615 9.489 3.065 303 HD2 LYS 59 HD3 LYS 59 8.273 11.230 4.667 304 HD3 LYS 59 HD2 LYS 59 8.734 10.173 6.001 305 HE2 LYS 59 HE3 LYS 59 10.601 11.562 5.621 306 HE3 LYS 59 HE2 LYS 59 11.016 10.009 4.900 307 HZ1 LYS 59 HZ1 LYS 59 11.628 11.845 3.460 308 HZ2 LYS 59 HZ2 LYS 59 10.029 12.395 3.428 309 HZ3 LYS 59 HZ3 LYS 59 10.424 10.905 2.731 310 H GLU 60 H GLU 60 7.400 5.199 4.930 311 HA GLU 60 HA GLU 60 4.740 4.166 5.083 312 HB2 GLU 60 HB3 GLU 60 7.239 3.072 5.140 313 HB3 GLU 60 HB2 GLU 60 6.766 2.950 6.828 314 HG2 GLU 60 HG3 GLU 60 4.736 1.752 6.166 315 HG3 GLU 60 HG2 GLU 60 5.232 1.858 4.478 316 H VAL 61 H VAL 61 3.242 4.748 6.431 317 HA VAL 61 HA VAL 61 3.822 5.891 9.047 318 HB VAL 61 HB VAL 61 0.989 5.514 8.556 319 HG11 VAL 61 HG11 VAL 61 2.100 7.123 10.123 320 HG12 VAL 61 HG12 VAL 61 0.812 7.797 9.130 321 HG13 VAL 61 HG13 VAL 61 2.496 8.108 8.718 322 HG21 VAL 61 HG21 VAL 61 1.189 5.675 6.255 323 HG22 VAL 61 HG22 VAL 61 2.567 6.770 6.350 324 HG23 VAL 61 HG23 VAL 61 0.948 7.358 6.729 325 H LYS 62 H LYS 62 2.017 3.163 7.661 326 HA LYS 62 HA LYS 62 2.565 1.340 9.774 327 HB2 LYS 62 HB3 LYS 62 0.648 3.088 10.587 328 HB3 LYS 62 HB2 LYS 62 -0.353 1.909 9.742 329 HG2 LYS 62 HG3 LYS 62 0.556 0.131 11.183 330 HG3 LYS 62 HG2 LYS 62 1.525 1.331 12.039 331 HD2 LYS 62 HD3 LYS 62 -0.224 1.505 13.447 332 HD3 LYS 62 HD2 LYS 62 -1.021 2.393 12.148 333 HE2 LYS 62 HE3 LYS 62 -2.562 0.736 12.791 334 HE3 LYS 62 HE2 LYS 62 -1.830 0.124 11.309 335 HZ1 LYS 62 HZ1 LYS 62 -2.002 -1.600 12.992 336 HZ2 LYS 62 HZ2 LYS 62 -1.079 -0.682 14.070 337 HZ3 LYS 62 HZ3 LYS 62 -0.379 -1.272 12.649 338 H VAL 63 H VAL 63 1.217 -0.739 9.499 339 HA VAL 63 HA VAL 63 0.461 -1.019 6.671 340 HB VAL 63 HB VAL 63 0.893 -3.330 8.585 341 HG11 VAL 63 HG11 VAL 63 1.005 -3.180 5.569 342 HG12 VAL 63 HG12 VAL 63 -0.301 -3.880 6.526 343 HG13 VAL 63 HG13 VAL 63 1.298 -4.623 6.540 344 HG21 VAL 63 HG21 VAL 63 3.155 -3.470 7.276 345 HG22 VAL 63 HG22 VAL 63 3.009 -2.413 8.681 346 HG23 VAL 63 HG23 VAL 63 2.898 -1.740 7.057 347 H GLY 64 H GLY 64 -1.529 -0.393 6.543 348 HA2 GLY 64 HA3 GLY 64 -3.724 -1.927 7.298 349 HA3 GLY 64 HA2 GLY 64 -3.561 -0.654 8.502 350 H GLU 65 H GLU 65 -5.682 -0.003 7.712 351 HA GLU 65 HA GLU 65 -5.506 1.637 5.271 352 HB2 GLU 65 HB3 GLU 65 -7.839 0.282 6.601 353 HB3 GLU 65 HB2 GLU 65 -8.101 1.704 5.597 354 HG2 GLU 65 HG3 GLU 65 -8.353 0.129 3.990 355 HG3 GLU 65 HG2 GLU 65 -6.596 0.285 3.918 356 H CYS 66 H CYS 66 -4.857 3.573 5.806 357 HA CYS 66 HA CYS 66 -5.809 4.796 8.294 358 HB2 CYS 66 HB3 CYS 66 -3.879 6.189 8.233 359 HB3 CYS 66 HB2 CYS 66 -3.348 4.553 7.896 360 H ASP 67 H ASP 67 -6.468 6.955 8.388 361 HA ASP 67 HA ASP 67 -7.638 7.995 5.899 362 HB2 ASP 67 HB3 ASP 67 -9.244 9.221 7.447 363 HB3 ASP 67 HB2 ASP 67 -9.417 7.473 7.399 364 H ASP 68 H ASP 68 -8.044 10.524 6.125 365 HA ASP 68 HA ASP 68 -5.458 11.740 6.226 366 HB2 ASP 68 HB3 ASP 68 -6.703 13.846 5.625 367 HB3 ASP 68 HB2 ASP 68 -6.941 12.499 4.521 368 H ALA 69 H ALA 69 -7.598 11.122 8.714 369 HA ALA 69 HA ALA 69 -6.955 13.511 10.276 370 HB1 ALA 69 HB1 ALA 69 -9.277 12.734 10.234 371 HB2 ALA 69 HB2 ALA 69 -8.610 12.692 11.866 372 HB3 ALA 69 HB3 ALA 69 -8.775 11.198 10.943 373 H ASN 70 H ASN 70 -5.132 11.048 9.609 374 HA ASN 70 HA ASN 70 -4.368 10.257 12.318 375 HB2 ASN 70 HB3 ASN 70 -3.839 9.101 9.593 376 HB3 ASN 70 HB2 ASN 70 -2.823 8.664 10.962 377 HD21 ASN 70 HD22 ASN 70 -3.711 7.490 12.669 378 HD22 ASN 70 HD21 ASN 70 -5.196 6.622 12.503 379 H LYS 71 H LYS 71 -2.226 10.364 13.008 380 HA LYS 71 HA LYS 71 -0.765 12.670 12.029 381 HB2 LYS 71 HB3 LYS 71 0.648 12.331 14.094 382 HB3 LYS 71 HB2 LYS 71 -1.048 12.657 14.395 383 HG2 LYS 71 HG3 LYS 71 -1.436 10.294 14.866 384 HG3 LYS 71 HG2 LYS 71 0.255 9.933 14.508 385 HD2 LYS 71 HD3 LYS 71 0.943 11.391 16.360 386 HD3 LYS 71 HD2 LYS 71 -0.752 11.720 16.724 387 HE2 LYS 71 HE3 LYS 71 -1.117 9.348 17.181 388 HE3 LYS 71 HE2 LYS 71 0.570 9.009 16.798 389 HZ1 LYS 71 HZ1 LYS 71 0.221 9.158 19.180 390 HZ2 LYS 71 HZ2 LYS 71 -0.388 10.729 19.022 391 HZ3 LYS 71 HZ3 LYS 71 1.232 10.409 18.655 392 HA PRO 72 HA PRO 72 2.456 10.395 9.890 393 HB2 PRO 72 HB3 PRO 72 4.558 12.214 10.824 394 HB3 PRO 72 HB2 PRO 72 3.911 12.008 9.192 395 HG2 PRO 72 HG3 PRO 72 3.439 14.239 10.601 396 HG3 PRO 72 HG2 PRO 72 2.226 13.550 9.500 397 HD2 PRO 72 HD3 PRO 72 2.400 13.311 12.489 398 HD3 PRO 72 HD2 PRO 72 0.992 13.668 11.466 399 H VAL 73 H VAL 73 3.392 8.553 10.399 400 HA VAL 73 HA VAL 73 4.767 8.282 12.981 401 HB VAL 73 HB VAL 73 3.719 5.948 11.366 402 HG11 VAL 73 HG11 VAL 73 3.768 4.775 13.523 403 HG12 VAL 73 HG12 VAL 73 4.420 6.222 14.291 404 HG13 VAL 73 HG13 VAL 73 5.363 5.371 13.069 405 HG21 VAL 73 HG21 VAL 73 2.197 6.817 13.749 406 HG22 VAL 73 HG22 VAL 73 1.620 6.107 12.241 407 HG23 VAL 73 HG23 VAL 73 2.022 7.824 12.314 Start of MODEL 5 1 H CYS 18 H CYS 18 18.910 1.242 -1.636 2 HA CYS 18 HA CYS 18 16.075 1.493 -1.528 3 HB2 CYS 18 HB3 CYS 18 17.153 0.613 -4.214 4 HB3 CYS 18 HB2 CYS 18 15.488 0.921 -3.762 5 H GLN 19 H GLN 19 15.344 -0.388 -0.894 6 HA GLN 19 HA GLN 19 16.891 -2.779 -1.457 7 HB2 GLN 19 HB3 GLN 19 16.145 -3.500 0.952 8 HB3 GLN 19 HB2 GLN 19 17.527 -2.436 0.722 9 HG2 GLN 19 HG3 GLN 19 16.599 -1.185 2.311 10 HG3 GLN 19 HG2 GLN 19 15.546 -0.616 1.019 11 HE21 GLN 19 HE22 GLN 19 15.220 -0.949 3.965 12 HE22 GLN 19 HE21 GLN 19 13.771 -1.863 4.156 13 H LEU 20 H LEU 20 15.752 -3.804 -2.781 14 HA LEU 20 HA LEU 20 12.853 -3.929 -2.577 15 HB2 LEU 20 HB3 LEU 20 14.058 -3.052 -4.650 16 HB3 LEU 20 HB2 LEU 20 14.550 -4.697 -4.953 17 HG LEU 20 HG LEU 20 12.539 -3.711 -6.259 18 HD11 LEU 20 HD11 LEU 20 13.203 -6.016 -6.439 19 HD12 LEU 20 HD12 LEU 20 11.445 -5.896 -6.376 20 HD13 LEU 20 HD13 LEU 20 12.344 -6.412 -4.950 21 HD21 LEU 20 HD21 LEU 20 10.377 -3.847 -5.314 22 HD22 LEU 20 HD22 LEU 20 11.354 -2.912 -4.179 23 HD23 LEU 20 HD23 LEU 20 10.986 -4.603 -3.840 24 H PHE 21 H PHE 21 12.413 -5.498 -1.258 25 HA PHE 21 HA PHE 21 13.071 -8.236 -2.057 26 HB2 PHE 21 HB3 PHE 21 13.158 -8.978 0.255 27 HB3 PHE 21 HB2 PHE 21 14.288 -7.659 0.043 28 HD1 PHE 21 HD1 PHE 21 13.665 -5.370 0.956 29 HD2 PHE 21 HD2 PHE 21 11.475 -8.903 1.888 30 HE1 PHE 21 HE1 PHE 21 12.694 -4.252 2.920 31 HE2 PHE 21 HE2 PHE 21 10.502 -7.785 3.849 32 HZ PHE 21 HZ PHE 21 11.110 -5.458 4.368 33 H CYS 22 H CYS 22 11.309 -8.772 -3.113 34 HA CYS 22 HA CYS 22 8.685 -7.987 -2.112 35 HB2 CYS 22 HB3 CYS 22 9.482 -9.108 -4.792 36 HB3 CYS 22 HB2 CYS 22 7.859 -8.590 -4.347 37 HA PRO 23 HA PRO 23 8.080 -12.405 -0.989 38 HB2 PRO 23 HB3 PRO 23 6.375 -11.561 1.162 39 HB3 PRO 23 HB2 PRO 23 7.999 -12.243 1.287 40 HG2 PRO 23 HG3 PRO 23 7.364 -9.661 1.987 41 HG3 PRO 23 HG2 PRO 23 8.987 -10.206 1.523 42 HD2 PRO 23 HD3 PRO 23 6.939 -8.770 -0.126 43 HD3 PRO 23 HD2 PRO 23 8.702 -8.550 -0.059 44 H MET 24 H MET 24 5.994 -13.701 -0.843 45 HA MET 24 HA MET 24 3.893 -12.358 -2.403 46 HB2 MET 24 HB3 MET 24 4.684 -15.245 -2.123 47 HB3 MET 24 HB2 MET 24 3.100 -14.805 -2.743 48 HG2 MET 24 HG3 MET 24 4.145 -13.548 -4.551 49 HG3 MET 24 HG2 MET 24 5.738 -13.954 -3.921 50 HE1 MET 24 HE1 MET 24 6.226 -16.752 -3.410 51 HE2 MET 24 HE2 MET 24 7.078 -15.924 -4.713 52 HE3 MET 24 HE3 MET 24 6.379 -17.520 -4.990 53 H ILE 25 H ILE 25 2.789 -11.294 -0.810 54 HA ILE 25 HA ILE 25 0.877 -12.880 0.714 55 HB ILE 25 HB ILE 25 2.090 -10.640 2.302 56 HG12 ILE 25 HG13 ILE 25 3.256 -13.195 3.099 57 HG13 ILE 25 HG12 ILE 25 3.796 -12.701 1.499 58 HG21 ILE 25 HG21 ILE 25 0.054 -11.730 3.069 59 HG22 ILE 25 HG22 ILE 25 1.375 -12.022 4.200 60 HG23 ILE 25 HG23 ILE 25 0.874 -13.292 3.083 61 HD11 ILE 25 HD11 ILE 25 3.994 -11.034 4.000 62 HD12 ILE 25 HD12 ILE 25 4.582 -10.585 2.398 63 HD13 ILE 25 HD13 ILE 25 5.311 -11.943 3.258 64 H TYR 26 H TYR 26 -1.026 -11.607 1.280 65 HA TYR 26 HA TYR 26 -1.106 -9.039 -0.156 66 HB2 TYR 26 HB3 TYR 26 -3.602 -9.380 -0.305 67 HB3 TYR 26 HB2 TYR 26 -2.642 -10.515 -1.237 68 HD1 TYR 26 HD2 TYR 26 -2.549 -12.877 -0.595 69 HD2 TYR 26 HD1 TYR 26 -4.919 -10.100 1.572 70 HE1 TYR 26 HE2 TYR 26 -3.764 -14.748 0.446 71 HE2 TYR 26 HE1 TYR 26 -6.156 -11.961 2.620 72 HH TYR 26 HH TYR 26 -6.659 -14.328 2.160 73 H ALA 27 H ALA 27 -0.575 -7.623 1.303 74 HA ALA 27 HA ALA 27 -2.273 -7.277 3.667 75 HB1 ALA 27 HB1 ALA 27 0.724 -6.941 3.661 76 HB2 ALA 27 HB2 ALA 27 -0.161 -8.268 4.412 77 HB3 ALA 27 HB3 ALA 27 -0.353 -6.624 5.022 78 HA PRO 28 HA PRO 28 -2.247 -3.077 1.925 79 HB2 PRO 28 HB3 PRO 28 -4.016 -2.115 3.969 80 HB3 PRO 28 HB2 PRO 28 -4.427 -2.556 2.308 81 HG2 PRO 28 HG3 PRO 28 -5.303 -3.932 4.527 82 HG3 PRO 28 HG2 PRO 28 -5.184 -4.620 2.897 83 HD2 PRO 28 HD3 PRO 28 -3.300 -4.908 5.206 84 HD3 PRO 28 HD2 PRO 28 -3.824 -6.112 4.009 85 H ILE 29 H ILE 29 -0.783 -1.483 2.244 86 HA ILE 29 HA ILE 29 -0.045 -0.782 5.021 87 HB ILE 29 HB ILE 29 1.759 -0.756 2.577 88 HG12 ILE 29 HG13 ILE 29 3.015 -2.415 4.270 89 HG13 ILE 29 HG12 ILE 29 1.357 -2.709 4.783 90 HG21 ILE 29 HG21 ILE 29 3.584 -0.389 4.345 91 HG22 ILE 29 HG22 ILE 29 2.273 0.135 5.402 92 HG23 ILE 29 HG23 ILE 29 2.586 0.995 3.897 93 HD11 ILE 29 HD11 ILE 29 1.872 -4.336 3.167 94 HD12 ILE 29 HD12 ILE 29 2.561 -3.135 2.073 95 HD13 ILE 29 HD13 ILE 29 0.824 -3.165 2.370 96 H CYS 30 H CYS 30 -0.046 1.313 5.653 97 HA CYS 30 HA CYS 30 -0.866 3.321 3.629 98 HB2 CYS 30 HB3 CYS 30 -2.056 2.683 6.012 99 HB3 CYS 30 HB2 CYS 30 -1.064 4.059 6.472 100 H ALA 31 H ALA 31 0.270 5.164 3.302 101 HA ALA 31 HA ALA 31 2.519 5.907 4.981 102 HB1 ALA 31 HB1 ALA 31 2.894 5.301 2.040 103 HB2 ALA 31 HB2 ALA 31 3.488 4.307 3.367 104 HB3 ALA 31 HB3 ALA 31 4.120 5.935 3.138 105 H THR 32 H THR 32 2.883 8.096 4.946 106 HA THR 32 HA THR 32 1.309 9.673 3.015 107 HB THR 32 HB THR 32 0.244 9.817 5.231 108 HG1 THR 32 HG1 THR 32 0.034 12.030 5.172 109 HG21 THR 32 HG21 THR 32 2.563 9.676 6.469 110 HG22 THR 32 HG22 THR 32 1.231 10.589 7.178 111 HG23 THR 32 HG23 THR 32 2.518 11.432 6.313 112 H ASP 33 H ASP 33 2.219 11.364 2.066 113 HA ASP 33 HA ASP 33 4.997 12.077 2.816 114 HB2 ASP 33 HB3 ASP 33 4.481 11.029 0.498 115 HB3 ASP 33 HB2 ASP 33 3.785 12.595 0.100 116 H GLY 34 H GLY 34 2.710 13.168 4.135 117 HA2 GLY 34 HA3 GLY 34 2.330 15.353 5.002 118 HA3 GLY 34 HA2 GLY 34 3.041 16.037 3.544 119 H VAL 35 H VAL 35 1.697 14.742 1.629 120 HA VAL 35 HA VAL 35 -0.867 15.989 1.448 121 HB VAL 35 HB VAL 35 -0.865 14.712 -0.786 122 HG11 VAL 35 HG11 VAL 35 -0.392 17.079 -0.651 123 HG12 VAL 35 HG12 VAL 35 0.660 16.314 -1.843 124 HG13 VAL 35 HG13 VAL 35 1.291 16.735 -0.250 125 HG21 VAL 35 HG21 VAL 35 0.884 13.057 -0.046 126 HG22 VAL 35 HG22 VAL 35 2.068 14.353 -0.233 127 HG23 VAL 35 HG23 VAL 35 1.153 13.789 -1.632 128 H SER 36 H SER 36 -2.790 14.545 0.574 129 HA SER 36 HA SER 36 -3.563 12.703 2.521 130 HB2 SER 36 HB3 SER 36 -4.482 12.838 -0.370 131 HB3 SER 36 HB2 SER 36 -5.319 11.980 0.923 132 HG SER 36 HG SER 36 -6.310 13.856 1.052 133 H GLN 37 H GLN 37 -3.202 10.620 2.863 134 HA GLN 37 HA GLN 37 -0.987 9.384 1.525 135 HB2 GLN 37 HB3 GLN 37 -1.607 7.532 3.292 136 HB3 GLN 37 HB2 GLN 37 -0.751 8.980 3.731 137 HG2 GLN 37 HG3 GLN 37 -3.687 9.041 3.910 138 HG3 GLN 37 HG2 GLN 37 -2.826 8.058 5.081 139 HE21 GLN 37 HE22 GLN 37 -1.717 11.088 3.651 140 HE22 GLN 37 HE21 GLN 37 -1.701 11.991 5.110 141 H ARG 38 H ARG 38 -0.896 7.173 1.004 142 HA ARG 38 HA ARG 38 -3.331 6.120 -0.268 143 HB2 ARG 38 HB3 ARG 38 -0.825 6.902 -1.507 144 HB3 ARG 38 HB2 ARG 38 -1.235 5.229 -1.858 145 HG2 ARG 38 HG3 ARG 38 -3.416 5.933 -2.652 146 HG3 ARG 38 HG2 ARG 38 -3.015 7.606 -2.306 147 HD2 ARG 38 HD3 ARG 38 -1.169 7.495 -3.914 148 HD3 ARG 38 HD2 ARG 38 -1.573 5.813 -4.258 149 HE ARG 38 HE ARG 38 -3.841 7.420 -4.691 150 HH11 ARG 38 HH11 ARG 38 -0.712 6.790 -6.172 151 HH12 ARG 38 HH12 ARG 38 -1.257 7.207 -7.762 152 HH21 ARG 38 HH21 ARG 38 -4.523 7.960 -6.779 153 HH22 ARG 38 HH22 ARG 38 -3.410 7.869 -8.104 154 H THR 39 H THR 39 -3.407 3.881 -0.615 155 HA THR 39 HA THR 39 -1.763 2.331 1.282 156 HB THR 39 HB THR 39 -4.324 1.181 0.269 157 HG1 THR 39 HG1 THR 39 -5.124 3.165 0.841 158 HG21 THR 39 HG21 THR 39 -2.710 0.058 1.887 159 HG22 THR 39 HG22 THR 39 -4.395 0.122 2.393 160 HG23 THR 39 HG23 THR 39 -3.228 1.251 3.079 161 H PHE 40 H PHE 40 -0.479 0.805 0.519 162 HA PHE 40 HA PHE 40 -0.591 0.085 -2.321 163 HB2 PHE 40 HB3 PHE 40 1.601 -0.362 -0.264 164 HB3 PHE 40 HB2 PHE 40 1.699 -0.803 -1.952 165 HD1 PHE 40 HD1 PHE 40 1.237 2.187 0.245 166 HD2 PHE 40 HD2 PHE 40 2.643 0.678 -3.484 167 HE1 PHE 40 HE1 PHE 40 2.219 4.381 -0.274 168 HE2 PHE 40 HE2 PHE 40 3.636 2.874 -3.999 169 HZ PHE 40 HZ PHE 40 3.412 4.726 -2.396 170 H SER 41 H SER 41 -0.231 -2.197 -2.920 171 HA SER 41 HA SER 41 -1.918 -3.970 -1.429 172 HB2 SER 41 HB3 SER 41 -1.688 -3.880 -3.959 173 HB3 SER 41 HB2 SER 41 -0.153 -4.722 -3.760 174 HG SER 41 HG SER 41 -1.368 -6.439 -3.816 175 H ASN 42 H ASN 42 1.463 -3.332 -1.440 176 HA ASN 42 HA ASN 42 2.064 -4.981 0.756 177 HB2 ASN 42 HB3 ASN 42 1.964 -6.561 -1.495 178 HB3 ASN 42 HB2 ASN 42 3.644 -6.049 -1.554 179 HD21 ASN 42 HD22 ASN 42 1.231 -7.518 0.573 180 HD22 ASN 42 HD21 ASN 42 2.344 -8.524 1.428 181 HA PRO 43 HA PRO 43 5.564 -2.102 0.940 182 HB2 PRO 43 HB3 PRO 43 7.454 -4.384 1.318 183 HB3 PRO 43 HB2 PRO 43 7.266 -2.911 2.283 184 HG2 PRO 43 HG3 PRO 43 6.319 -5.168 3.228 185 HG3 PRO 43 HG2 PRO 43 5.341 -3.688 3.350 186 HD2 PRO 43 HD3 PRO 43 5.085 -5.957 1.408 187 HD3 PRO 43 HD2 PRO 43 3.819 -5.092 2.294 188 H CYS 44 H CYS 44 5.984 -4.925 -1.130 189 HA CYS 44 HA CYS 44 8.230 -4.246 -2.625 190 HB2 CYS 44 HB3 CYS 44 7.146 -6.428 -2.779 191 HB3 CYS 44 HB2 CYS 44 5.720 -5.699 -3.500 192 H ASP 45 H ASP 45 4.834 -3.369 -3.201 193 HA ASP 45 HA ASP 45 5.301 -1.844 -5.560 194 HB2 ASP 45 HB3 ASP 45 2.949 -2.030 -3.682 195 HB3 ASP 45 HB2 ASP 45 2.950 -0.989 -5.101 196 H LEU 46 H LEU 46 5.487 -1.070 -2.151 197 HA LEU 46 HA LEU 46 5.222 1.762 -2.464 198 HB2 LEU 46 HB3 LEU 46 4.515 0.581 -0.437 199 HB3 LEU 46 HB2 LEU 46 6.151 0.046 -0.153 200 HG LEU 46 HG LEU 46 5.879 2.921 -0.393 201 HD11 LEU 46 HD11 LEU 46 4.949 3.210 1.873 202 HD12 LEU 46 HD12 LEU 46 4.568 1.489 1.896 203 HD13 LEU 46 HD13 LEU 46 3.785 2.552 0.724 204 HD21 LEU 46 HD21 LEU 46 7.366 2.939 1.503 205 HD22 LEU 46 HD22 LEU 46 7.932 1.767 0.311 206 HD23 LEU 46 HD23 LEU 46 7.093 1.214 1.762 207 H LYS 47 H LYS 47 7.943 -0.326 -1.427 208 HA LYS 47 HA LYS 47 9.921 1.558 -1.260 209 HB2 LYS 47 HB3 LYS 47 10.401 -1.259 -2.225 210 HB3 LYS 47 HB2 LYS 47 11.468 -0.248 -1.297 211 HG2 LYS 47 HG3 LYS 47 8.871 -1.342 -0.249 212 HG3 LYS 47 HG2 LYS 47 10.427 -2.121 -0.027 213 HD2 LYS 47 HD3 LYS 47 9.977 0.705 0.898 214 HD3 LYS 47 HD2 LYS 47 9.470 -0.659 1.891 215 HE2 LYS 47 HE3 LYS 47 11.746 -1.497 1.943 216 HE3 LYS 47 HE2 LYS 47 12.256 -0.201 0.864 217 HZ1 LYS 47 HZ1 LYS 47 11.687 1.406 2.568 218 HZ2 LYS 47 HZ2 LYS 47 12.800 0.287 3.173 219 HZ3 LYS 47 HZ3 LYS 47 11.168 0.172 3.601 220 H VAL 48 H VAL 48 8.858 -0.248 -4.043 221 HA VAL 48 HA VAL 48 10.816 0.483 -5.920 222 HB VAL 48 HB VAL 48 8.916 -1.301 -5.919 223 HG11 VAL 48 HG11 VAL 48 7.004 0.173 -5.947 224 HG12 VAL 48 HG12 VAL 48 7.029 -0.877 -7.367 225 HG13 VAL 48 HG13 VAL 48 7.514 0.813 -7.512 226 HG21 VAL 48 HG21 VAL 48 9.143 -1.580 -8.363 227 HG22 VAL 48 HG22 VAL 48 10.678 -1.276 -7.550 228 HG23 VAL 48 HG23 VAL 48 9.880 0.021 -8.440 229 H TYR 49 H TYR 49 7.860 2.079 -4.900 230 HA TYR 49 HA TYR 49 7.811 4.064 -6.980 231 HB2 TYR 49 HB3 TYR 49 5.986 3.163 -5.171 232 HB3 TYR 49 HB2 TYR 49 6.467 4.674 -4.417 233 HD1 TYR 49 HD1 TYR 49 4.843 3.166 -7.356 234 HD2 TYR 49 HD2 TYR 49 5.879 6.801 -5.396 235 HE1 TYR 49 HE1 TYR 49 3.311 4.394 -8.834 236 HE2 TYR 49 HE2 TYR 49 4.350 8.036 -6.870 237 HH TYR 49 HH TYR 49 3.319 7.769 -9.098 238 H ASN 50 H ASN 50 9.149 3.857 -3.778 239 HA ASN 50 HA ASN 50 9.774 6.616 -3.437 240 HB2 ASN 50 HB3 ASN 50 10.855 4.214 -1.950 241 HB3 ASN 50 HB2 ASN 50 10.916 5.879 -1.419 242 HD21 ASN 50 HD22 ASN 50 8.029 4.785 -2.974 243 HD22 ASN 50 HD21 ASN 50 7.060 4.600 -1.569 244 H CYS 51 H CYS 51 11.517 3.891 -4.779 245 HA CYS 51 HA CYS 51 14.136 5.007 -4.541 246 HB2 CYS 51 HB3 CYS 51 13.641 2.586 -4.619 247 HB3 CYS 51 HB2 CYS 51 13.169 2.754 -6.296 248 H TRP 52 H TRP 52 12.061 4.463 -7.435 249 HA TRP 52 HA TRP 52 13.853 6.234 -8.904 250 HB2 TRP 52 HB3 TRP 52 12.873 5.354 -10.937 251 HB3 TRP 52 HB2 TRP 52 13.509 4.127 -9.883 252 HD1 TRP 52 HD1 TRP 52 11.874 2.230 -9.080 253 HE1 TRP 52 HE1 TRP 52 9.494 1.569 -9.828 254 HE3 TRP 52 HE3 TRP 52 10.658 6.455 -11.628 255 HZ2 TRP 52 HZ2 TRP 52 7.377 2.710 -11.328 256 HZ3 TRP 52 HZ3 TRP 52 8.444 6.607 -12.703 257 HH2 TRP 52 HH2 TRP 52 6.835 4.773 -12.552 258 H ASN 53 H ASN 53 10.947 6.634 -7.383 259 HA ASN 53 HA ASN 53 10.194 8.906 -9.068 260 HB2 ASN 53 HB3 ASN 53 8.609 7.563 -6.869 261 HB3 ASN 53 HB2 ASN 53 8.060 8.920 -7.825 262 HD21 ASN 53 HD22 ASN 53 9.476 5.716 -8.384 263 HD22 ASN 53 HD21 ASN 53 8.388 5.269 -9.642 264 HA PRO 54 HA PRO 54 12.369 11.020 -5.512 265 HB2 PRO 54 HB3 PRO 54 13.292 13.135 -6.928 266 HB3 PRO 54 HB2 PRO 54 14.112 11.564 -6.946 267 HG2 PRO 54 HG3 PRO 54 12.164 12.675 -8.943 268 HG3 PRO 54 HG2 PRO 54 13.736 11.915 -9.235 269 HD2 PRO 54 HD3 PRO 54 11.482 10.516 -9.504 270 HD3 PRO 54 HD2 PRO 54 12.940 9.775 -8.818 271 H ASP 55 H ASP 55 10.320 12.523 -7.988 272 HA ASP 55 HA ASP 55 9.559 14.799 -6.442 273 HB2 ASP 55 HB3 ASP 55 8.564 13.606 -9.011 274 HB3 ASP 55 HB2 ASP 55 7.746 14.976 -8.268 275 H ASN 56 H ASN 56 8.136 11.579 -6.781 276 HA ASN 56 HA ASN 56 5.994 12.418 -4.948 277 HB2 ASN 56 HB3 ASN 56 5.849 10.777 -7.440 278 HB3 ASN 56 HB2 ASN 56 4.729 10.430 -6.132 279 HD21 ASN 56 HD22 ASN 56 3.178 11.954 -5.570 280 HD22 ASN 56 HD21 ASN 56 2.777 13.280 -6.602 281 HA PRO 57 HA PRO 57 8.194 8.717 -3.012 282 HB2 PRO 57 HB3 PRO 57 9.038 10.351 -0.787 283 HB3 PRO 57 HB2 PRO 57 10.053 9.545 -1.987 284 HG2 PRO 57 HG3 PRO 57 9.850 12.260 -1.792 285 HG3 PRO 57 HG2 PRO 57 10.230 11.408 -3.303 286 HD2 PRO 57 HD3 PRO 57 7.592 12.500 -2.374 287 HD3 PRO 57 HD2 PRO 57 8.354 12.609 -3.979 288 H TYR 58 H TYR 58 7.752 7.694 -0.843 289 HA TYR 58 HA TYR 58 5.473 8.858 0.595 290 HB2 TYR 58 HB3 TYR 58 5.630 6.066 -0.538 291 HB3 TYR 58 HB2 TYR 58 4.580 6.463 0.820 292 HD1 TYR 58 HD2 TYR 58 5.139 6.905 -2.785 293 HD2 TYR 58 HD1 TYR 58 2.596 7.832 0.503 294 HE1 TYR 58 HE2 TYR 58 3.393 7.647 -4.348 295 HE2 TYR 58 HE1 TYR 58 0.846 8.574 -1.053 296 HH TYR 58 HH TYR 58 0.961 7.941 -4.390 297 H LYS 59 H LYS 59 5.431 8.527 2.766 298 HA LYS 59 HA LYS 59 7.703 7.065 3.930 299 HB2 LYS 59 HB3 LYS 59 6.332 9.599 4.837 300 HB3 LYS 59 HB2 LYS 59 7.393 8.673 5.876 301 HG2 LYS 59 HG3 LYS 59 9.247 9.019 4.341 302 HG3 LYS 59 HG2 LYS 59 8.187 9.922 3.257 303 HD2 LYS 59 HD3 LYS 59 7.808 11.578 5.032 304 HD3 LYS 59 HD2 LYS 59 8.893 10.677 6.093 305 HE2 LYS 59 HE3 LYS 59 10.733 11.047 4.528 306 HE3 LYS 59 HE2 LYS 59 9.650 11.934 3.458 307 HZ1 LYS 59 HZ1 LYS 59 10.369 12.722 6.229 308 HZ2 LYS 59 HZ2 LYS 59 9.327 13.573 5.206 309 HZ3 LYS 59 HZ3 LYS 59 10.967 13.432 4.814 310 H GLU 60 H GLU 60 7.196 5.364 5.166 311 HA GLU 60 HA GLU 60 4.463 4.619 5.509 312 HB2 GLU 60 HB3 GLU 60 5.300 2.521 6.421 313 HB3 GLU 60 HB2 GLU 60 6.116 2.943 4.927 314 HG2 GLU 60 HG3 GLU 60 8.091 3.607 6.134 315 HG3 GLU 60 HG2 GLU 60 7.256 3.386 7.672 316 H VAL 61 H VAL 61 3.162 5.027 7.013 317 HA VAL 61 HA VAL 61 3.928 6.016 9.642 318 HB VAL 61 HB VAL 61 1.100 5.680 8.606 319 HG11 VAL 61 HG11 VAL 61 0.666 7.662 10.075 320 HG12 VAL 61 HG12 VAL 61 2.311 7.489 10.681 321 HG13 VAL 61 HG13 VAL 61 1.143 6.195 10.929 322 HG21 VAL 61 HG21 VAL 61 2.676 7.052 7.063 323 HG22 VAL 61 HG22 VAL 61 2.533 8.285 8.315 324 HG23 VAL 61 HG23 VAL 61 1.091 7.704 7.482 325 H LYS 62 H LYS 62 1.970 3.428 8.199 326 HA LYS 62 HA LYS 62 2.552 1.496 10.234 327 HB2 LYS 62 HB3 LYS 62 0.555 3.176 11.014 328 HB3 LYS 62 HB2 LYS 62 -0.376 2.001 10.084 329 HG2 LYS 62 HG3 LYS 62 0.478 0.201 11.504 330 HG3 LYS 62 HG2 LYS 62 1.425 1.371 12.426 331 HD2 LYS 62 HD3 LYS 62 -0.637 2.503 13.105 332 HD3 LYS 62 HD2 LYS 62 -1.583 1.338 12.176 333 HE2 LYS 62 HE3 LYS 62 -0.737 -0.473 13.589 334 HE3 LYS 62 HE2 LYS 62 0.208 0.693 14.515 335 HZ1 LYS 62 HZ1 LYS 62 -1.854 0.140 15.637 336 HZ2 LYS 62 HZ2 LYS 62 -2.753 0.653 14.298 337 HZ3 LYS 62 HZ3 LYS 62 -1.847 1.771 15.187 338 H VAL 63 H VAL 63 1.162 -0.572 9.797 339 HA VAL 63 HA VAL 63 0.713 -0.731 6.903 340 HB VAL 63 HB VAL 63 0.786 -3.236 7.202 341 HG11 VAL 63 HG11 VAL 63 3.295 -1.888 8.185 342 HG12 VAL 63 HG12 VAL 63 2.760 -1.861 6.508 343 HG13 VAL 63 HG13 VAL 63 3.166 -3.393 7.276 344 HG21 VAL 63 HG21 VAL 63 1.846 -2.610 9.952 345 HG22 VAL 63 HG22 VAL 63 1.656 -4.206 9.224 346 HG23 VAL 63 HG23 VAL 63 0.235 -3.238 9.621 347 H GLY 64 H GLY 64 -1.274 -0.104 6.532 348 HA2 GLY 64 HA3 GLY 64 -3.511 -1.700 6.951 349 HA3 GLY 64 HA2 GLY 64 -3.525 -0.472 8.209 350 H GLU 65 H GLU 65 -5.548 0.147 7.196 351 HA GLU 65 HA GLU 65 -5.143 1.910 4.868 352 HB2 GLU 65 HB3 GLU 65 -7.103 -0.035 5.232 353 HB3 GLU 65 HB2 GLU 65 -7.907 1.472 5.658 354 HG2 GLU 65 HG3 GLU 65 -7.475 2.415 3.526 355 HG3 GLU 65 HG2 GLU 65 -6.410 1.083 3.086 356 H CYS 66 H CYS 66 -4.805 3.896 5.506 357 HA CYS 66 HA CYS 66 -6.183 4.933 7.878 358 HB2 CYS 66 HB3 CYS 66 -4.280 6.296 8.338 359 HB3 CYS 66 HB2 CYS 66 -3.707 4.661 8.077 360 H ASP 67 H ASP 67 -6.762 7.144 7.934 361 HA ASP 67 HA ASP 67 -7.495 8.242 5.309 362 HB2 ASP 67 HB3 ASP 67 -9.142 7.697 7.334 363 HB3 ASP 67 HB2 ASP 67 -8.639 9.298 7.864 364 H ASP 68 H ASP 68 -7.709 10.788 5.433 365 HA ASP 68 HA ASP 68 -5.080 11.832 5.839 366 HB2 ASP 68 HB3 ASP 68 -6.095 14.002 5.053 367 HB3 ASP 68 HB2 ASP 68 -6.280 12.650 3.948 368 H ALA 69 H ALA 69 -7.598 11.446 8.013 369 HA ALA 69 HA ALA 69 -6.992 13.803 9.630 370 HB1 ALA 69 HB1 ALA 69 -9.025 11.617 10.074 371 HB2 ALA 69 HB2 ALA 69 -9.333 13.170 9.295 372 HB3 ALA 69 HB3 ALA 69 -8.885 13.111 11.000 373 H ASN 70 H ASN 70 -5.269 11.215 9.223 374 HA ASN 70 HA ASN 70 -4.895 10.426 12.013 375 HB2 ASN 70 HB3 ASN 70 -5.097 8.836 9.871 376 HB3 ASN 70 HB2 ASN 70 -3.367 9.141 9.795 377 HD21 ASN 70 HD22 ASN 70 -5.950 7.700 11.615 378 HD22 ASN 70 HD21 ASN 70 -4.956 6.758 12.668 379 H LYS 71 H LYS 71 -2.792 10.363 12.914 380 HA LYS 71 HA LYS 71 -1.112 12.580 12.075 381 HB2 LYS 71 HB3 LYS 71 0.039 12.255 14.279 382 HB3 LYS 71 HB2 LYS 71 -1.665 12.647 14.394 383 HG2 LYS 71 HG3 LYS 71 -0.947 9.765 14.465 384 HG3 LYS 71 HG2 LYS 71 -0.514 10.738 15.872 385 HD2 LYS 71 HD3 LYS 71 -2.830 11.449 16.116 386 HD3 LYS 71 HD2 LYS 71 -3.278 10.544 14.668 387 HE2 LYS 71 HE3 LYS 71 -2.614 8.462 15.767 388 HE3 LYS 71 HE2 LYS 71 -2.163 9.366 17.211 389 HZ1 LYS 71 HZ1 LYS 71 -4.461 10.064 17.453 390 HZ2 LYS 71 HZ2 LYS 71 -4.357 8.376 17.428 391 HZ3 LYS 71 HZ3 LYS 71 -4.896 9.210 16.058 392 HA PRO 72 HA PRO 72 1.878 9.735 10.190 393 HB2 PRO 72 HB3 PRO 72 3.731 11.997 10.031 394 HB3 PRO 72 HB2 PRO 72 2.969 11.092 8.720 395 HG2 PRO 72 HG3 PRO 72 2.284 13.630 9.243 396 HG3 PRO 72 HG2 PRO 72 1.099 12.436 8.675 397 HD2 PRO 72 HD3 PRO 72 1.581 13.423 11.467 398 HD3 PRO 72 HD2 PRO 72 0.048 13.167 10.606 399 H VAL 73 H VAL 73 3.627 8.550 10.843 400 HA VAL 73 HA VAL 73 5.288 9.564 13.017 401 HB VAL 73 HB VAL 73 5.254 7.251 14.114 402 HG11 VAL 73 HG11 VAL 73 2.844 9.048 14.273 403 HG12 VAL 73 HG12 VAL 73 4.344 9.197 15.189 404 HG13 VAL 73 HG13 VAL 73 3.272 7.823 15.465 405 HG21 VAL 73 HG21 VAL 73 2.498 6.981 12.947 406 HG22 VAL 73 HG22 VAL 73 3.450 5.787 13.828 407 HG23 VAL 73 HG23 VAL 73 3.893 6.223 12.178 Start of MODEL 6 1 H CYS 18 H CYS 18 18.537 1.208 -0.970 2 HA CYS 18 HA CYS 18 15.702 1.223 -1.263 3 HB2 CYS 18 HB3 CYS 18 17.196 0.586 -3.809 4 HB3 CYS 18 HB2 CYS 18 15.473 0.817 -3.582 5 H GLN 19 H GLN 19 15.055 -0.737 -0.845 6 HA GLN 19 HA GLN 19 16.819 -2.985 -1.359 7 HB2 GLN 19 HB3 GLN 19 15.896 -3.900 0.912 8 HB3 GLN 19 HB2 GLN 19 17.209 -2.732 0.893 9 HG2 GLN 19 HG3 GLN 19 16.041 -1.621 2.426 10 HG3 GLN 19 HG2 GLN 19 15.035 -1.098 1.076 11 HE21 GLN 19 HE22 GLN 19 12.990 -1.972 0.842 12 HE22 GLN 19 HE21 GLN 19 12.234 -2.921 2.070 13 H LEU 20 H LEU 20 15.848 -3.982 -2.884 14 HA LEU 20 HA LEU 20 12.954 -4.278 -2.876 15 HB2 LEU 20 HB3 LEU 20 14.249 -3.231 -4.828 16 HB3 LEU 20 HB2 LEU 20 14.783 -4.848 -5.204 17 HG LEU 20 HG LEU 20 12.806 -3.833 -6.537 18 HD11 LEU 20 HD11 LEU 20 13.504 -6.127 -6.789 19 HD12 LEU 20 HD12 LEU 20 11.745 -6.018 -6.804 20 HD13 LEU 20 HD13 LEU 20 12.578 -6.594 -5.362 21 HD21 LEU 20 HD21 LEU 20 10.616 -4.016 -5.685 22 HD22 LEU 20 HD22 LEU 20 11.539 -3.158 -4.450 23 HD23 LEU 20 HD23 LEU 20 11.163 -4.869 -4.240 24 H PHE 21 H PHE 21 12.541 -5.907 -1.655 25 HA PHE 21 HA PHE 21 12.972 -8.572 -2.739 26 HB2 PHE 21 HB3 PHE 21 13.469 -9.589 -0.545 27 HB3 PHE 21 HB2 PHE 21 14.705 -8.435 -1.001 28 HD1 PHE 21 HD1 PHE 21 14.749 -6.182 0.155 29 HD2 PHE 21 HD2 PHE 21 12.299 -9.403 1.484 30 HE1 PHE 21 HE1 PHE 21 14.540 -5.117 2.362 31 HE2 PHE 21 HE2 PHE 21 12.085 -8.335 3.686 32 HZ PHE 21 HZ PHE 21 13.207 -6.190 4.128 33 H CYS 22 H CYS 22 10.931 -8.823 -3.402 34 HA CYS 22 HA CYS 22 8.746 -8.026 -1.630 35 HB2 CYS 22 HB3 CYS 22 8.671 -8.707 -4.565 36 HB3 CYS 22 HB2 CYS 22 7.315 -8.121 -3.611 37 HA PRO 23 HA PRO 23 7.950 -12.493 -0.968 38 HB2 PRO 23 HB3 PRO 23 6.252 -11.612 1.238 39 HB3 PRO 23 HB2 PRO 23 7.730 -12.577 1.310 40 HG2 PRO 23 HG3 PRO 23 7.610 -10.060 2.276 41 HG3 PRO 23 HG2 PRO 23 9.088 -10.746 1.569 42 HD2 PRO 23 HD3 PRO 23 7.097 -8.877 0.319 43 HD3 PRO 23 HD2 PRO 23 8.875 -8.853 0.259 44 H MET 24 H MET 24 5.940 -13.782 -1.140 45 HA MET 24 HA MET 24 3.843 -12.262 -2.498 46 HB2 MET 24 HB3 MET 24 2.987 -14.559 -3.198 47 HB3 MET 24 HB2 MET 24 4.524 -14.045 -3.863 48 HG2 MET 24 HG3 MET 24 5.690 -15.474 -2.228 49 HG3 MET 24 HG2 MET 24 4.131 -16.002 -1.599 50 HE1 MET 24 HE1 MET 24 6.011 -15.630 -5.102 51 HE2 MET 24 HE2 MET 24 6.184 -17.347 -5.469 52 HE3 MET 24 HE3 MET 24 6.947 -16.671 -4.030 53 H ILE 25 H ILE 25 2.761 -11.326 -0.899 54 HA ILE 25 HA ILE 25 0.734 -12.898 0.481 55 HB ILE 25 HB ILE 25 2.630 -11.074 2.044 56 HG12 ILE 25 HG13 ILE 25 2.438 -13.388 3.494 57 HG13 ILE 25 HG12 ILE 25 2.358 -14.004 1.848 58 HG21 ILE 25 HG21 ILE 25 0.354 -10.685 2.814 59 HG22 ILE 25 HG22 ILE 25 1.285 -11.545 4.041 60 HG23 ILE 25 HG23 ILE 25 0.119 -12.416 3.047 61 HD11 ILE 25 HD11 ILE 25 4.473 -13.050 1.317 62 HD12 ILE 25 HD12 ILE 25 4.638 -13.948 2.825 63 HD13 ILE 25 HD13 ILE 25 4.533 -12.188 2.854 64 H TYR 26 H TYR 26 -1.130 -11.535 1.021 65 HA TYR 26 HA TYR 26 -1.041 -8.935 -0.350 66 HB2 TYR 26 HB3 TYR 26 -2.609 -10.630 -1.230 67 HB3 TYR 26 HB2 TYR 26 -3.509 -10.573 0.272 68 HD1 TYR 26 HD2 TYR 26 -2.728 -8.839 -2.864 69 HD2 TYR 26 HD1 TYR 26 -4.912 -8.629 0.783 70 HE1 TYR 26 HE2 TYR 26 -4.071 -6.996 -3.781 71 HE2 TYR 26 HE1 TYR 26 -6.262 -6.786 -0.127 72 HH TYR 26 HH TYR 26 -6.089 -5.056 -1.860 73 H ALA 27 H ALA 27 -0.445 -7.589 1.054 74 HA ALA 27 HA ALA 27 -2.039 -7.133 3.483 75 HB1 ALA 27 HB1 ALA 27 0.971 -6.962 3.376 76 HB2 ALA 27 HB2 ALA 27 0.040 -8.238 4.158 77 HB3 ALA 27 HB3 ALA 27 -0.043 -6.587 4.770 78 HA PRO 28 HA PRO 28 -1.999 -3.037 1.408 79 HB2 PRO 28 HB3 PRO 28 -3.987 -2.235 3.406 80 HB3 PRO 28 HB2 PRO 28 -4.159 -2.337 1.650 81 HG2 PRO 28 HG3 PRO 28 -5.429 -4.048 3.287 82 HG3 PRO 28 HG2 PRO 28 -4.826 -4.539 1.689 83 HD2 PRO 28 HD3 PRO 28 -3.602 -5.013 4.387 84 HD3 PRO 28 HD2 PRO 28 -3.785 -6.128 3.015 85 H ILE 29 H ILE 29 -0.729 -1.329 1.835 86 HA ILE 29 HA ILE 29 -0.158 -0.652 4.640 87 HB ILE 29 HB ILE 29 1.769 -1.813 3.639 88 HG12 ILE 29 HG13 ILE 29 2.951 0.876 3.770 89 HG13 ILE 29 HG12 ILE 29 1.878 0.509 5.114 90 HG21 ILE 29 HG21 ILE 29 1.642 -1.373 1.331 91 HG22 ILE 29 HG22 ILE 29 3.126 -0.591 1.875 92 HG23 ILE 29 HG23 ILE 29 1.683 0.373 1.577 93 HD11 ILE 29 HD11 ILE 29 4.344 -0.990 4.271 94 HD12 ILE 29 HD12 ILE 29 3.210 -1.575 5.483 95 HD13 ILE 29 HD13 ILE 29 4.090 -0.074 5.755 96 H CYS 30 H CYS 30 -0.076 1.474 5.256 97 HA CYS 30 HA CYS 30 -0.956 3.442 3.228 98 HB2 CYS 30 HB3 CYS 30 -2.233 2.786 5.502 99 HB3 CYS 30 HB2 CYS 30 -1.163 4.033 6.140 100 H ALA 31 H ALA 31 0.152 5.288 2.901 101 HA ALA 31 HA ALA 31 2.352 6.064 4.642 102 HB1 ALA 31 HB1 ALA 31 3.936 6.262 2.803 103 HB2 ALA 31 HB2 ALA 31 2.738 5.605 1.685 104 HB3 ALA 31 HB3 ALA 31 3.384 4.595 2.980 105 H THR 32 H THR 32 2.541 8.238 4.786 106 HA THR 32 HA THR 32 0.980 9.871 2.896 107 HB THR 32 HB THR 32 -0.317 9.816 4.931 108 HG1 THR 32 HG1 THR 32 -0.352 11.819 3.973 109 HG21 THR 32 HG21 THR 32 0.486 10.642 7.089 110 HG22 THR 32 HG22 THR 32 2.101 10.862 6.417 111 HG23 THR 32 HG23 THR 32 1.424 9.242 6.575 112 H ASP 33 H ASP 33 1.959 11.532 2.021 113 HA ASP 33 HA ASP 33 4.626 12.321 3.025 114 HB2 ASP 33 HB3 ASP 33 4.090 11.485 0.574 115 HB3 ASP 33 HB2 ASP 33 3.596 13.157 0.336 116 H GLY 34 H GLY 34 2.009 13.267 4.105 117 HA2 GLY 34 HA3 GLY 34 1.593 15.371 5.184 118 HA3 GLY 34 HA2 GLY 34 2.466 16.180 3.884 119 H VAL 35 H VAL 35 1.223 14.633 1.877 120 HA VAL 35 HA VAL 35 -1.328 15.988 1.516 121 HB VAL 35 HB VAL 35 -0.087 16.367 -0.407 122 HG11 VAL 35 HG11 VAL 35 0.964 13.544 -0.366 123 HG12 VAL 35 HG12 VAL 35 1.852 14.998 0.084 124 HG13 VAL 35 HG13 VAL 35 1.347 14.757 -1.587 125 HG21 VAL 35 HG21 VAL 35 -0.861 14.846 -2.258 126 HG22 VAL 35 HG22 VAL 35 -2.124 15.570 -1.261 127 HG23 VAL 35 HG23 VAL 35 -1.654 13.888 -1.002 128 H SER 36 H SER 36 -3.020 14.572 0.287 129 HA SER 36 HA SER 36 -3.958 12.567 2.007 130 HB2 SER 36 HB3 SER 36 -4.559 12.895 -0.952 131 HB3 SER 36 HB2 SER 36 -5.509 11.930 0.177 132 HG SER 36 HG SER 36 -5.442 14.183 1.342 133 H GLN 37 H GLN 37 -3.528 10.513 2.262 134 HA GLN 37 HA GLN 37 -1.137 9.462 1.092 135 HB2 GLN 37 HB3 GLN 37 -1.850 7.496 2.723 136 HB3 GLN 37 HB2 GLN 37 -1.054 8.937 3.276 137 HG2 GLN 37 HG3 GLN 37 -4.009 8.891 3.242 138 HG3 GLN 37 HG2 GLN 37 -3.170 7.960 4.471 139 HE21 GLN 37 HE22 GLN 37 -2.098 11.032 3.112 140 HE22 GLN 37 HE21 GLN 37 -2.270 11.952 4.552 141 H ARG 38 H ARG 38 -0.854 7.274 0.553 142 HA ARG 38 HA ARG 38 -3.014 6.203 -1.146 143 HB2 ARG 38 HB3 ARG 38 -1.025 7.311 -2.278 144 HB3 ARG 38 HB2 ARG 38 -0.042 6.000 -1.651 145 HG2 ARG 38 HG3 ARG 38 -0.478 5.005 -3.578 146 HG3 ARG 38 HG2 ARG 38 -2.069 4.661 -2.913 147 HD2 ARG 38 HD3 ARG 38 -2.890 6.783 -3.894 148 HD3 ARG 38 HD2 ARG 38 -1.306 7.023 -4.631 149 HE ARG 38 HE ARG 38 -2.166 4.527 -5.444 150 HH11 ARG 38 HH12 ARG 38 -3.311 7.830 -5.835 151 HH12 ARG 38 HH11 ARG 38 -4.068 7.505 -7.359 152 HH21 ARG 38 HH22 ARG 38 -3.163 4.133 -7.438 153 HH22 ARG 38 HH21 ARG 38 -3.984 5.414 -8.263 154 H THR 39 H THR 39 -3.059 3.916 -1.406 155 HA THR 39 HA THR 39 -1.712 2.397 0.733 156 HB THR 39 HB THR 39 -4.271 1.308 -0.312 157 HG1 THR 39 HG1 THR 39 -5.325 3.097 0.120 158 HG21 THR 39 HG21 THR 39 -4.579 0.667 2.020 159 HG22 THR 39 HG22 THR 39 -3.172 1.619 2.488 160 HG23 THR 39 HG23 THR 39 -2.972 0.195 1.468 161 H PHE 40 H PHE 40 -0.384 0.888 0.023 162 HA PHE 40 HA PHE 40 -0.508 -0.020 -2.764 163 HB2 PHE 40 HB3 PHE 40 1.654 -0.254 -0.659 164 HB3 PHE 40 HB2 PHE 40 1.763 -0.998 -2.236 165 HD1 PHE 40 HD1 PHE 40 1.191 2.382 -0.711 166 HD2 PHE 40 HD2 PHE 40 2.901 0.125 -3.900 167 HE1 PHE 40 HE1 PHE 40 2.236 4.423 -1.597 168 HE2 PHE 40 HE2 PHE 40 3.953 2.172 -4.780 169 HZ PHE 40 HZ PHE 40 3.613 4.319 -3.632 170 H SER 41 H SER 41 0.157 -2.395 -3.105 171 HA SER 41 HA SER 41 -1.720 -4.073 -1.708 172 HB2 SER 41 HB3 SER 41 -1.200 -4.174 -4.193 173 HB3 SER 41 HB2 SER 41 0.316 -4.959 -3.755 174 HG SER 41 HG SER 41 -1.407 -6.439 -4.239 175 H ASN 42 H ASN 42 1.636 -3.358 -1.335 176 HA ASN 42 HA ASN 42 1.901 -4.984 0.982 177 HB2 ASN 42 HB3 ASN 42 2.296 -6.513 -1.242 178 HB3 ASN 42 HB2 ASN 42 3.928 -5.903 -0.999 179 HD21 ASN 42 HD22 ASN 42 1.281 -7.623 0.542 180 HD22 ASN 42 HD21 ASN 42 2.267 -8.540 1.628 181 HA PRO 43 HA PRO 43 5.031 -1.935 2.086 182 HB2 PRO 43 HB3 PRO 43 6.709 -4.283 2.892 183 HB3 PRO 43 HB2 PRO 43 6.381 -2.782 3.776 184 HG2 PRO 43 HG3 PRO 43 5.104 -4.970 4.467 185 HG3 PRO 43 HG2 PRO 43 4.224 -3.431 4.359 186 HD2 PRO 43 HD3 PRO 43 4.204 -5.745 2.475 187 HD3 PRO 43 HD2 PRO 43 2.884 -4.659 2.950 188 H CYS 44 H CYS 44 6.294 -4.797 0.317 189 HA CYS 44 HA CYS 44 8.688 -3.507 -0.564 190 HB2 CYS 44 HB3 CYS 44 8.411 -5.982 -0.416 191 HB3 CYS 44 HB2 CYS 44 7.334 -5.904 -1.807 192 H ASP 45 H ASP 45 5.444 -3.689 -1.814 193 HA ASP 45 HA ASP 45 5.963 -2.836 -4.482 194 HB2 ASP 45 HB3 ASP 45 3.477 -2.903 -2.779 195 HB3 ASP 45 HB2 ASP 45 3.463 -2.237 -4.408 196 H LEU 46 H LEU 46 5.686 -1.190 -1.458 197 HA LEU 46 HA LEU 46 5.095 1.414 -2.471 198 HB2 LEU 46 HB3 LEU 46 4.371 0.693 -0.268 199 HB3 LEU 46 HB2 LEU 46 6.019 0.391 0.214 200 HG LEU 46 HG LEU 46 5.678 3.087 -0.695 201 HD11 LEU 46 HD11 LEU 46 3.399 2.767 0.154 202 HD12 LEU 46 HD12 LEU 46 4.328 3.927 1.098 203 HD13 LEU 46 HD13 LEU 46 4.074 2.295 1.714 204 HD21 LEU 46 HD21 LEU 46 7.584 2.236 0.580 205 HD22 LEU 46 HD22 LEU 46 6.522 1.972 1.966 206 HD23 LEU 46 HD23 LEU 46 6.812 3.610 1.373 207 H LYS 47 H LYS 47 7.943 -0.078 -0.923 208 HA LYS 47 HA LYS 47 9.686 2.046 -0.941 209 HB2 LYS 47 HB3 LYS 47 10.133 -0.923 -1.068 210 HB3 LYS 47 HB2 LYS 47 11.462 0.205 -0.959 211 HG2 LYS 47 HG3 LYS 47 11.153 0.519 1.234 212 HG3 LYS 47 HG2 LYS 47 9.416 0.744 1.009 213 HD2 LYS 47 HD3 LYS 47 9.113 -1.680 0.905 214 HD3 LYS 47 HD2 LYS 47 10.845 -1.907 1.136 215 HE2 LYS 47 HE3 LYS 47 9.233 -0.345 3.119 216 HE3 LYS 47 HE2 LYS 47 9.253 -2.105 3.171 217 HZ1 LYS 47 HZ1 LYS 47 11.636 -0.339 3.343 218 HZ2 LYS 47 HZ2 LYS 47 11.666 -2.029 3.383 219 HZ3 LYS 47 HZ3 LYS 47 10.925 -1.168 4.635 220 H VAL 48 H VAL 48 8.981 -0.186 -3.537 221 HA VAL 48 HA VAL 48 11.084 0.419 -5.309 222 HB VAL 48 HB VAL 48 9.263 -1.437 -5.314 223 HG11 VAL 48 HG11 VAL 48 7.303 -0.053 -5.587 224 HG12 VAL 48 HG12 VAL 48 7.463 -1.220 -6.902 225 HG13 VAL 48 HG13 VAL 48 7.889 0.470 -7.167 226 HG21 VAL 48 HG21 VAL 48 9.673 -1.904 -7.701 227 HG22 VAL 48 HG22 VAL 48 11.135 -1.450 -6.825 228 HG23 VAL 48 HG23 VAL 48 10.335 -0.278 -7.871 229 H TYR 49 H TYR 49 8.008 1.970 -4.702 230 HA TYR 49 HA TYR 49 8.059 3.782 -6.935 231 HB2 TYR 49 HB3 TYR 49 6.138 2.943 -5.215 232 HB3 TYR 49 HB2 TYR 49 6.507 4.513 -4.522 233 HD1 TYR 49 HD2 TYR 49 5.157 2.774 -7.474 234 HD2 TYR 49 HD1 TYR 49 5.925 6.552 -5.668 235 HE1 TYR 49 HE2 TYR 49 3.700 3.858 -9.132 236 HE2 TYR 49 HE1 TYR 49 4.467 7.642 -7.316 237 HH TYR 49 HH TYR 49 3.607 7.216 -9.580 238 H ASN 50 H ASN 50 9.251 3.791 -3.700 239 HA ASN 50 HA ASN 50 9.735 6.590 -3.419 240 HB2 ASN 50 HB3 ASN 50 10.843 4.245 -1.856 241 HB3 ASN 50 HB2 ASN 50 10.935 5.923 -1.378 242 HD21 ASN 50 HD22 ASN 50 8.081 4.512 -2.838 243 HD22 ASN 50 HD21 ASN 50 7.101 4.527 -1.433 244 H CYS 51 H CYS 51 11.580 3.888 -4.639 245 HA CYS 51 HA CYS 51 14.159 5.129 -4.473 246 HB2 CYS 51 HB3 CYS 51 13.696 2.668 -4.369 247 HB3 CYS 51 HB2 CYS 51 13.340 2.715 -6.082 248 H TRP 52 H TRP 52 12.013 4.326 -7.254 249 HA TRP 52 HA TRP 52 13.750 5.968 -8.925 250 HB2 TRP 52 HB3 TRP 52 12.720 4.933 -10.847 251 HB3 TRP 52 HB2 TRP 52 13.360 3.783 -9.713 252 HD1 TRP 52 HD1 TRP 52 11.752 1.939 -8.811 253 HE1 TRP 52 HE1 TRP 52 9.337 1.272 -9.411 254 HE3 TRP 52 HE3 TRP 52 10.452 6.059 -11.499 255 HZ2 TRP 52 HZ2 TRP 52 7.161 2.363 -10.865 256 HZ3 TRP 52 HZ3 TRP 52 8.192 6.180 -12.470 257 HH2 TRP 52 HH2 TRP 52 6.579 4.372 -12.158 258 H ASN 53 H ASN 53 10.909 6.517 -7.328 259 HA ASN 53 HA ASN 53 10.101 8.647 -9.171 260 HB2 ASN 53 HB3 ASN 53 8.581 7.520 -6.809 261 HB3 ASN 53 HB2 ASN 53 8.005 8.769 -7.889 262 HD21 ASN 53 HD22 ASN 53 9.415 5.523 -8.148 263 HD22 ASN 53 HD21 ASN 53 8.293 4.945 -9.320 264 HA PRO 54 HA PRO 54 12.365 11.019 -5.824 265 HB2 PRO 54 HB3 PRO 54 13.369 12.956 -7.419 266 HB3 PRO 54 HB2 PRO 54 14.135 11.364 -7.287 267 HG2 PRO 54 HG3 PRO 54 12.235 12.354 -9.391 268 HG3 PRO 54 HG2 PRO 54 13.782 11.521 -9.603 269 HD2 PRO 54 HD3 PRO 54 11.481 10.180 -9.760 270 HD3 PRO 54 HD2 PRO 54 12.912 9.453 -9.009 271 H ASP 55 H ASP 55 10.363 12.317 -8.448 272 HA ASP 55 HA ASP 55 9.685 14.775 -7.163 273 HB2 ASP 55 HB3 ASP 55 8.623 13.338 -9.579 274 HB3 ASP 55 HB2 ASP 55 7.887 14.831 -9.000 275 H ASN 56 H ASN 56 8.129 11.594 -7.153 276 HA ASN 56 HA ASN 56 6.042 12.725 -5.403 277 HB2 ASN 56 HB3 ASN 56 5.439 11.877 -7.861 278 HB3 ASN 56 HB2 ASN 56 5.370 10.326 -7.041 279 HD21 ASN 56 HD22 ASN 56 3.915 13.422 -7.423 280 HD22 ASN 56 HD21 ASN 56 2.480 13.081 -6.531 281 HA PRO 57 HA PRO 57 8.092 9.145 -3.139 282 HB2 PRO 57 HB3 PRO 57 8.891 10.956 -1.035 283 HB3 PRO 57 HB2 PRO 57 9.927 10.037 -2.132 284 HG2 PRO 57 HG3 PRO 57 9.760 12.757 -2.187 285 HG3 PRO 57 HG2 PRO 57 10.153 11.771 -3.609 286 HD2 PRO 57 HD3 PRO 57 7.516 12.971 -2.826 287 HD3 PRO 57 HD2 PRO 57 8.308 12.937 -4.419 288 H TYR 58 H TYR 58 7.459 8.144 -1.136 289 HA TYR 58 HA TYR 58 5.215 9.423 0.284 290 HB2 TYR 58 HB3 TYR 58 5.384 6.611 -0.785 291 HB3 TYR 58 HB2 TYR 58 4.344 7.001 0.583 292 HD1 TYR 58 HD1 TYR 58 2.348 8.355 0.287 293 HD2 TYR 58 HD2 TYR 58 4.844 7.418 -3.037 294 HE1 TYR 58 HE1 TYR 58 0.565 9.062 -1.247 295 HE2 TYR 58 HE2 TYR 58 3.063 8.126 -4.575 296 HH TYR 58 HH TYR 58 0.620 8.386 -4.568 297 H LYS 59 H LYS 59 5.004 8.935 2.503 298 HA LYS 59 HA LYS 59 7.409 7.754 3.710 299 HB2 LYS 59 HB3 LYS 59 5.650 10.004 4.712 300 HB3 LYS 59 HB2 LYS 59 6.909 9.246 5.664 301 HG2 LYS 59 HG3 LYS 59 7.687 10.345 3.024 302 HG3 LYS 59 HG2 LYS 59 7.329 11.490 4.315 303 HD2 LYS 59 HD3 LYS 59 8.996 10.424 5.742 304 HD3 LYS 59 HD2 LYS 59 9.328 9.230 4.485 305 HE2 LYS 59 HE3 LYS 59 10.070 11.028 2.990 306 HE3 LYS 59 HE2 LYS 59 9.758 12.208 4.262 307 HZ1 LYS 59 HZ1 LYS 59 12.096 11.611 4.155 308 HZ2 LYS 59 HZ2 LYS 59 11.720 9.983 4.412 309 HZ3 LYS 59 HZ3 LYS 59 11.427 11.120 5.629 310 H GLU 60 H GLU 60 7.093 5.915 4.735 311 HA GLU 60 HA GLU 60 4.552 4.709 5.030 312 HB2 GLU 60 HB3 GLU 60 7.201 3.869 4.975 313 HB3 GLU 60 HB2 GLU 60 6.632 3.422 6.576 314 HG2 GLU 60 HG3 GLU 60 4.779 2.196 5.595 315 HG3 GLU 60 HG2 GLU 60 5.302 2.676 3.981 316 H VAL 61 H VAL 61 3.111 4.923 6.521 317 HA VAL 61 HA VAL 61 3.760 5.886 9.201 318 HB VAL 61 HB VAL 61 0.943 5.404 8.897 319 HG11 VAL 61 HG11 VAL 61 2.102 7.007 10.422 320 HG12 VAL 61 HG12 VAL 61 0.709 7.662 9.565 321 HG13 VAL 61 HG13 VAL 61 2.340 8.060 9.028 322 HG21 VAL 61 HG21 VAL 61 2.162 7.031 6.677 323 HG22 VAL 61 HG22 VAL 61 0.468 7.138 7.153 324 HG23 VAL 61 HG23 VAL 61 1.114 5.619 6.532 325 H LYS 62 H LYS 62 2.002 3.198 7.642 326 HA LYS 62 HA LYS 62 2.796 1.213 9.526 327 HB2 LYS 62 HB3 LYS 62 0.885 2.767 10.663 328 HB3 LYS 62 HB2 LYS 62 -0.143 1.649 9.769 329 HG2 LYS 62 HG3 LYS 62 -0.018 0.527 11.757 330 HG3 LYS 62 HG2 LYS 62 1.414 -0.145 10.976 331 HD2 LYS 62 HD3 LYS 62 2.802 1.538 12.123 332 HD3 LYS 62 HD2 LYS 62 1.360 2.160 12.929 333 HE2 LYS 62 HE3 LYS 62 1.020 -0.009 14.001 334 HE3 LYS 62 HE2 LYS 62 2.448 -0.642 13.182 335 HZ1 LYS 62 HZ1 LYS 62 3.794 0.989 14.358 336 HZ2 LYS 62 HZ2 LYS 62 2.955 0.003 15.447 337 HZ3 LYS 62 HZ3 LYS 62 2.422 1.581 15.151 338 H VAL 63 H VAL 63 1.422 -0.896 9.192 339 HA VAL 63 HA VAL 63 0.685 -1.040 6.384 340 HB VAL 63 HB VAL 63 2.309 -2.698 7.221 341 HG11 VAL 63 HG11 VAL 63 1.679 -4.533 8.704 342 HG12 VAL 63 HG12 VAL 63 0.123 -3.758 8.999 343 HG13 VAL 63 HG13 VAL 63 1.612 -2.971 9.520 344 HG21 VAL 63 HG21 VAL 63 1.273 -4.731 6.338 345 HG22 VAL 63 HG22 VAL 63 0.960 -3.318 5.331 346 HG23 VAL 63 HG23 VAL 63 -0.300 -3.936 6.398 347 H GLY 64 H GLY 64 -1.307 -0.249 6.153 348 HA2 GLY 64 HA3 GLY 64 -3.609 -1.685 6.758 349 HA3 GLY 64 HA2 GLY 64 -3.435 -0.467 8.014 350 H GLU 65 H GLU 65 -5.480 0.297 7.171 351 HA GLU 65 HA GLU 65 -5.141 2.079 4.847 352 HB2 GLU 65 HB3 GLU 65 -7.190 0.248 5.322 353 HB3 GLU 65 HB2 GLU 65 -7.869 1.793 5.816 354 HG2 GLU 65 HG3 GLU 65 -7.457 2.743 3.660 355 HG3 GLU 65 HG2 GLU 65 -6.587 1.300 3.144 356 H CYS 66 H CYS 66 -4.776 4.101 5.427 357 HA CYS 66 HA CYS 66 -5.773 5.055 8.014 358 HB2 CYS 66 HB3 CYS 66 -3.803 6.358 8.269 359 HB3 CYS 66 HB2 CYS 66 -3.293 4.745 7.824 360 H ASP 67 H ASP 67 -6.342 7.228 8.254 361 HA ASP 67 HA ASP 67 -7.301 8.529 5.792 362 HB2 ASP 67 HB3 ASP 67 -8.337 8.522 8.628 363 HB3 ASP 67 HB2 ASP 67 -8.838 9.752 7.474 364 H ASP 68 H ASP 68 -7.563 11.046 6.186 365 HA ASP 68 HA ASP 68 -4.932 12.108 6.573 366 HB2 ASP 68 HB3 ASP 68 -7.589 13.322 5.861 367 HB3 ASP 68 HB2 ASP 68 -6.177 14.331 6.157 368 H ALA 69 H ALA 69 -7.355 11.448 8.794 369 HA ALA 69 HA ALA 69 -6.747 13.670 10.594 370 HB1 ALA 69 HB1 ALA 69 -9.086 13.029 10.262 371 HB2 ALA 69 HB2 ALA 69 -8.593 12.832 11.944 372 HB3 ALA 69 HB3 ALA 69 -8.736 11.422 10.896 373 H ASN 70 H ASN 70 -4.988 11.165 9.919 374 HA ASN 70 HA ASN 70 -4.551 10.121 12.613 375 HB2 ASN 70 HB3 ASN 70 -3.745 9.170 9.869 376 HB3 ASN 70 HB2 ASN 70 -2.977 8.531 11.318 377 HD21 ASN 70 HD22 ASN 70 -5.906 8.710 9.462 378 HD22 ASN 70 HD21 ASN 70 -6.740 7.433 10.275 379 H LYS 71 H LYS 71 -2.391 9.913 13.412 380 HA LYS 71 HA LYS 71 -0.795 12.292 12.983 381 HB2 LYS 71 HB3 LYS 71 -1.452 10.967 15.225 382 HB3 LYS 71 HB2 LYS 71 0.085 10.186 14.886 383 HG2 LYS 71 HG3 LYS 71 1.199 12.359 14.905 384 HG3 LYS 71 HG2 LYS 71 -0.345 13.150 15.227 385 HD2 LYS 71 HD3 LYS 71 -0.533 11.967 17.341 386 HD3 LYS 71 HD2 LYS 71 0.964 11.096 17.009 387 HE2 LYS 71 HE3 LYS 71 2.179 13.234 16.993 388 HE3 LYS 71 HE2 LYS 71 0.679 14.077 17.373 389 HZ1 LYS 71 HZ1 LYS 71 2.013 13.708 19.350 390 HZ2 LYS 71 HZ2 LYS 71 1.997 12.037 19.085 391 HZ3 LYS 71 HZ3 LYS 71 0.559 12.849 19.451 392 HA PRO 72 HA PRO 72 2.194 10.188 10.312 393 HB2 PRO 72 HB3 PRO 72 4.210 12.180 11.098 394 HB3 PRO 72 HB2 PRO 72 3.484 11.893 9.511 395 HG2 PRO 72 HG3 PRO 72 2.902 14.095 10.906 396 HG3 PRO 72 HG2 PRO 72 1.675 13.268 9.924 397 HD2 PRO 72 HD3 PRO 72 2.112 13.125 12.889 398 HD3 PRO 72 HD2 PRO 72 0.599 13.328 11.982 399 H VAL 73 H VAL 73 3.278 8.419 10.731 400 HA VAL 73 HA VAL 73 4.862 8.199 13.188 401 HB VAL 73 HB VAL 73 3.907 5.871 11.500 402 HG11 VAL 73 HG11 VAL 73 4.261 4.556 13.541 403 HG12 VAL 73 HG12 VAL 73 4.849 5.998 14.366 404 HG13 VAL 73 HG13 VAL 73 5.752 5.332 13.005 405 HG21 VAL 73 HG21 VAL 73 1.913 5.739 12.615 406 HG22 VAL 73 HG22 VAL 73 2.134 7.489 12.677 407 HG23 VAL 73 HG23 VAL 73 2.559 6.498 14.070 Start of MODEL 7 1 H CYS 18 H CYS 18 17.687 2.479 -1.094 2 HA CYS 18 HA CYS 18 15.097 1.699 -2.026 3 HB2 CYS 18 HB3 CYS 18 17.332 1.058 -3.946 4 HB3 CYS 18 HB2 CYS 18 15.600 0.938 -4.199 5 H GLN 19 H GLN 19 14.781 -0.259 -1.345 6 HA GLN 19 HA GLN 19 17.033 -2.049 -0.964 7 HB2 GLN 19 HB3 GLN 19 15.741 -2.811 1.175 8 HB3 GLN 19 HB2 GLN 19 16.726 -1.357 1.208 9 HG2 GLN 19 HG3 GLN 19 14.945 -0.465 2.228 10 HG3 GLN 19 HG2 GLN 19 14.365 -0.258 0.579 11 HE21 GLN 19 HE22 GLN 19 12.588 -1.336 -0.069 12 HE22 GLN 19 HE21 GLN 19 11.679 -2.402 0.937 13 H LEU 20 H LEU 20 16.737 -3.478 -2.431 14 HA LEU 20 HA LEU 20 14.232 -4.333 -3.442 15 HB2 LEU 20 HB3 LEU 20 16.507 -4.145 -4.644 16 HB3 LEU 20 HB2 LEU 20 16.887 -5.687 -3.923 17 HG LEU 20 HG LEU 20 16.124 -5.662 -6.368 18 HD11 LEU 20 HD11 LEU 20 14.702 -7.487 -4.444 19 HD12 LEU 20 HD12 LEU 20 16.318 -7.716 -5.110 20 HD13 LEU 20 HD13 LEU 20 14.911 -7.769 -6.173 21 HD21 LEU 20 HD21 LEU 20 13.868 -5.511 -6.940 22 HD22 LEU 20 HD22 LEU 20 14.136 -4.141 -5.862 23 HD23 LEU 20 HD23 LEU 20 13.339 -5.595 -5.260 24 H PHE 21 H PHE 21 13.064 -5.218 -1.951 25 HA PHE 21 HA PHE 21 13.518 -8.002 -1.322 26 HB2 PHE 21 HB3 PHE 21 13.538 -7.886 0.974 27 HB3 PHE 21 HB2 PHE 21 14.182 -6.286 0.667 28 HD1 PHE 21 HD2 PHE 21 12.731 -4.297 0.971 29 HD2 PHE 21 HD1 PHE 21 11.424 -8.211 2.009 30 HE1 PHE 21 HE2 PHE 21 10.932 -3.330 2.343 31 HE2 PHE 21 HE1 PHE 21 9.624 -7.251 3.381 32 HZ PHE 21 HZ PHE 21 9.377 -4.807 3.550 33 H CYS 22 H CYS 22 11.825 -8.910 -2.328 34 HA CYS 22 HA CYS 22 9.213 -7.610 -2.002 35 HB2 CYS 22 HB3 CYS 22 10.361 -8.807 -4.505 36 HB3 CYS 22 HB2 CYS 22 8.637 -8.508 -4.300 37 HA PRO 23 HA PRO 23 8.231 -11.886 -0.649 38 HB2 PRO 23 HB3 PRO 23 6.585 -10.847 1.429 39 HB3 PRO 23 HB2 PRO 23 8.180 -11.582 1.607 40 HG2 PRO 23 HG3 PRO 23 7.586 -8.916 2.122 41 HG3 PRO 23 HG2 PRO 23 9.208 -9.579 1.853 42 HD2 PRO 23 HD3 PRO 23 7.446 -8.093 -0.045 43 HD3 PRO 23 HD2 PRO 23 9.214 -8.082 0.117 44 H MET 24 H MET 24 6.232 -13.049 -0.877 45 HA MET 24 HA MET 24 4.088 -11.466 -2.127 46 HB2 MET 24 HB3 MET 24 5.411 -13.573 -3.191 47 HB3 MET 24 HB2 MET 24 4.074 -14.416 -2.425 48 HG2 MET 24 HG3 MET 24 2.480 -13.101 -3.683 49 HG3 MET 24 HG2 MET 24 3.785 -12.154 -4.392 50 HE1 MET 24 HE1 MET 24 2.342 -14.359 -7.349 51 HE2 MET 24 HE2 MET 24 2.707 -12.712 -6.836 52 HE3 MET 24 HE3 MET 24 1.459 -13.639 -6.003 53 H ILE 25 H ILE 25 2.960 -10.832 -0.338 54 HA ILE 25 HA ILE 25 1.182 -12.804 0.825 55 HB ILE 25 HB ILE 25 3.155 -12.829 2.348 56 HG12 ILE 25 HG13 ILE 25 1.646 -12.116 4.474 57 HG13 ILE 25 HG12 ILE 25 0.403 -12.232 3.235 58 HG21 ILE 25 HG21 ILE 25 2.422 -9.995 3.026 59 HG22 ILE 25 HG22 ILE 25 3.909 -10.546 2.254 60 HG23 ILE 25 HG23 ILE 25 3.562 -10.996 3.924 61 HD11 ILE 25 HD11 ILE 25 1.090 -14.526 2.763 62 HD12 ILE 25 HD12 ILE 25 0.634 -14.317 4.454 63 HD13 ILE 25 HD13 ILE 25 2.337 -14.407 4.005 64 H TYR 26 H TYR 26 -0.842 -11.907 1.273 65 HA TYR 26 HA TYR 26 -1.148 -9.177 0.353 66 HB2 TYR 26 HB3 TYR 26 -2.671 -11.021 -0.307 67 HB3 TYR 26 HB2 TYR 26 -3.332 -11.028 1.315 68 HD1 TYR 26 HD2 TYR 26 -3.178 -9.243 -1.888 69 HD2 TYR 26 HD1 TYR 26 -4.793 -9.206 2.051 70 HE1 TYR 26 HE2 TYR 26 -4.789 -7.513 -2.569 71 HE2 TYR 26 HE1 TYR 26 -6.408 -7.478 1.378 72 HH TYR 26 HH TYR 26 -6.620 -5.730 -0.349 73 H ALA 27 H ALA 27 -0.390 -7.881 1.668 74 HA ALA 27 HA ALA 27 -1.681 -7.424 4.261 75 HB1 ALA 27 HB1 ALA 27 1.300 -7.210 3.794 76 HB2 ALA 27 HB2 ALA 27 0.491 -8.471 4.727 77 HB3 ALA 27 HB3 ALA 27 0.451 -6.797 5.286 78 HA PRO 28 HA PRO 28 -1.971 -3.551 1.704 79 HB2 PRO 28 HB3 PRO 28 -4.114 -2.907 3.643 80 HB3 PRO 28 HB2 PRO 28 -4.173 -2.919 1.876 81 HG2 PRO 28 HG3 PRO 28 -5.418 -4.810 3.274 82 HG3 PRO 28 HG2 PRO 28 -4.581 -5.195 1.754 83 HD2 PRO 28 HD3 PRO 28 -3.654 -5.635 4.574 84 HD3 PRO 28 HD2 PRO 28 -3.556 -6.723 3.172 85 H ILE 29 H ILE 29 -0.654 -1.866 2.101 86 HA ILE 29 HA ILE 29 -0.345 -0.985 4.917 87 HB ILE 29 HB ILE 29 1.802 -0.490 2.883 88 HG12 ILE 29 HG13 ILE 29 2.711 -2.702 4.281 89 HG13 ILE 29 HG12 ILE 29 1.035 -3.108 3.917 90 HG21 ILE 29 HG21 ILE 29 2.126 0.678 4.924 91 HG22 ILE 29 HG22 ILE 29 3.266 -0.666 4.916 92 HG23 ILE 29 HG23 ILE 29 1.799 -0.761 5.882 93 HD11 ILE 29 HD11 ILE 29 3.083 -2.239 1.906 94 HD12 ILE 29 HD12 ILE 29 1.419 -2.717 1.571 95 HD13 ILE 29 HD13 ILE 29 2.564 -3.895 2.202 96 H CYS 30 H CYS 30 -0.317 1.133 5.470 97 HA CYS 30 HA CYS 30 -1.106 3.072 3.358 98 HB2 CYS 30 HB3 CYS 30 -2.202 2.524 5.855 99 HB3 CYS 30 HB2 CYS 30 -1.274 3.994 6.123 100 H ALA 31 H ALA 31 0.010 4.956 3.054 101 HA ALA 31 HA ALA 31 2.382 5.542 4.643 102 HB1 ALA 31 HB1 ALA 31 3.823 5.713 2.736 103 HB2 ALA 31 HB2 ALA 31 2.484 5.409 1.631 104 HB3 ALA 31 HB3 ALA 31 3.062 4.122 2.689 105 H THR 32 H THR 32 2.850 7.737 4.744 106 HA THR 32 HA THR 32 1.210 9.521 3.099 107 HB THR 32 HB THR 32 0.223 9.290 5.398 108 HG1 THR 32 HG1 THR 32 -0.085 11.577 5.573 109 HG21 THR 32 HG21 THR 32 2.651 9.451 6.478 110 HG22 THR 32 HG22 THR 32 1.222 10.030 7.335 111 HG23 THR 32 HG23 THR 32 2.261 11.171 6.479 112 H ASP 33 H ASP 33 2.187 11.197 2.275 113 HA ASP 33 HA ASP 33 4.911 11.885 3.232 114 HB2 ASP 33 HB3 ASP 33 4.595 10.789 0.873 115 HB3 ASP 33 HB2 ASP 33 4.051 12.389 0.393 116 H GLY 34 H GLY 34 2.377 12.955 4.158 117 HA2 GLY 34 HA3 GLY 34 1.845 15.145 4.940 118 HA3 GLY 34 HA2 GLY 34 2.849 15.827 3.663 119 H VAL 35 H VAL 35 1.814 14.348 1.571 120 HA VAL 35 HA VAL 35 -0.570 15.738 0.809 121 HB VAL 35 HB VAL 35 -0.246 14.166 -1.259 122 HG11 VAL 35 HG11 VAL 35 0.110 16.553 -1.332 123 HG12 VAL 35 HG12 VAL 35 1.387 15.728 -2.226 124 HG13 VAL 35 HG13 VAL 35 1.707 16.356 -0.610 125 HG21 VAL 35 HG21 VAL 35 1.883 13.236 -1.652 126 HG22 VAL 35 HG22 VAL 35 1.448 12.734 -0.014 127 HG23 VAL 35 HG23 VAL 35 2.580 14.066 -0.259 128 H SER 36 H SER 36 -2.386 14.281 -0.319 129 HA SER 36 HA SER 36 -3.666 12.781 1.639 130 HB2 SER 36 HB3 SER 36 -4.674 13.707 -0.514 131 HB3 SER 36 HB2 SER 36 -4.017 12.288 -1.327 132 HG SER 36 HG SER 36 -5.884 12.306 0.812 133 H GLN 37 H GLN 37 -3.855 10.625 2.080 134 HA GLN 37 HA GLN 37 -1.424 9.132 1.801 135 HB2 GLN 37 HB3 GLN 37 -3.993 8.678 3.276 136 HB3 GLN 37 HB2 GLN 37 -2.722 7.476 3.258 137 HG2 GLN 37 HG3 GLN 37 -2.363 8.634 5.241 138 HG3 GLN 37 HG2 GLN 37 -1.212 9.349 4.119 139 HE21 GLN 37 HE22 GLN 37 -1.504 11.441 3.409 140 HE22 GLN 37 HE21 GLN 37 -2.588 12.545 4.172 141 H ARG 38 H ARG 38 -1.057 7.182 0.962 142 HA ARG 38 HA ARG 38 -3.076 6.099 -0.892 143 HB2 ARG 38 HB3 ARG 38 -0.382 6.978 -1.388 144 HB3 ARG 38 HB2 ARG 38 -0.538 5.271 -1.775 145 HG2 ARG 38 HG3 ARG 38 -2.509 5.825 -3.160 146 HG3 ARG 38 HG2 ARG 38 -2.196 7.530 -2.862 147 HD2 ARG 38 HD3 ARG 38 -1.192 7.121 -4.940 148 HD3 ARG 38 HD2 ARG 38 0.148 7.069 -3.797 149 HE ARG 38 HE ARG 38 -0.706 4.470 -4.022 150 HH11 ARG 38 HH12 ARG 38 0.506 6.862 -6.301 151 HH12 ARG 38 HH11 ARG 38 1.185 5.671 -7.359 152 HH21 ARG 38 HH22 ARG 38 0.194 2.938 -5.423 153 HH22 ARG 38 HH21 ARG 38 1.008 3.455 -6.862 154 H THR 39 H THR 39 -3.040 3.869 -1.292 155 HA THR 39 HA THR 39 -1.775 2.229 0.808 156 HB THR 39 HB THR 39 -4.328 1.201 -0.290 157 HG1 THR 39 HG1 THR 39 -5.021 2.789 1.732 158 HG21 THR 39 HG21 THR 39 -4.680 0.520 2.026 159 HG22 THR 39 HG22 THR 39 -3.271 1.454 2.532 160 HG23 THR 39 HG23 THR 39 -3.068 0.046 1.487 161 H PHE 40 H PHE 40 -0.471 0.729 0.020 162 HA PHE 40 HA PHE 40 -0.595 0.008 -2.815 163 HB2 PHE 40 HB3 PHE 40 1.546 -0.681 -0.776 164 HB3 PHE 40 HB2 PHE 40 1.632 -0.935 -2.501 165 HD1 PHE 40 HD1 PHE 40 1.457 1.746 0.069 166 HD2 PHE 40 HD2 PHE 40 2.508 0.712 -3.929 167 HE1 PHE 40 HE1 PHE 40 2.560 3.927 -0.209 168 HE2 PHE 40 HE2 PHE 40 3.621 2.896 -4.202 169 HZ PHE 40 HZ PHE 40 3.634 4.504 -2.345 170 H SER 41 H SER 41 -0.284 -2.270 -3.436 171 HA SER 41 HA SER 41 -2.108 -3.995 -2.049 172 HB2 SER 41 HB3 SER 41 -0.434 -4.264 -4.530 173 HB3 SER 41 HB2 SER 41 -1.318 -5.640 -3.875 174 HG SER 41 HG SER 41 -2.296 -3.250 -4.975 175 H ASN 42 H ASN 42 1.353 -3.628 -2.109 176 HA ASN 42 HA ASN 42 1.714 -5.531 0.015 177 HB2 ASN 42 HB3 ASN 42 2.035 -6.517 -2.653 178 HB3 ASN 42 HB2 ASN 42 3.659 -6.311 -2.021 179 HD21 ASN 42 HD22 ASN 42 0.737 -8.108 -1.910 180 HD22 ASN 42 HD21 ASN 42 1.286 -9.345 -0.827 181 HA PRO 43 HA PRO 43 5.191 -2.829 1.029 182 HB2 PRO 43 HB3 PRO 43 6.972 -5.186 1.375 183 HB3 PRO 43 HB2 PRO 43 6.595 -3.884 2.513 184 HG2 PRO 43 HG3 PRO 43 5.548 -6.272 2.891 185 HG3 PRO 43 HG2 PRO 43 4.554 -4.817 3.126 186 HD2 PRO 43 HD3 PRO 43 4.612 -6.697 0.791 187 HD3 PRO 43 HD2 PRO 43 3.217 -5.985 1.623 188 H CYS 44 H CYS 44 5.696 -5.252 -1.434 189 HA CYS 44 HA CYS 44 8.220 -4.364 -2.418 190 HB2 CYS 44 HB3 CYS 44 7.395 -6.613 -2.893 191 HB3 CYS 44 HB2 CYS 44 6.015 -5.956 -3.752 192 H ASP 45 H ASP 45 4.870 -3.631 -3.253 193 HA ASP 45 HA ASP 45 5.406 -1.992 -5.514 194 HB2 ASP 45 HB3 ASP 45 2.971 -2.370 -3.783 195 HB3 ASP 45 HB2 ASP 45 2.994 -1.249 -5.139 196 H LEU 46 H LEU 46 5.387 -1.330 -2.079 197 HA LEU 46 HA LEU 46 4.918 1.472 -2.250 198 HB2 LEU 46 HB3 LEU 46 4.363 0.144 -0.274 199 HB3 LEU 46 HB2 LEU 46 6.044 -0.266 -0.047 200 HG LEU 46 HG LEU 46 5.496 2.587 -0.130 201 HD11 LEU 46 HD11 LEU 46 4.332 0.856 2.013 202 HD12 LEU 46 HD12 LEU 46 3.549 2.137 1.091 203 HD13 LEU 46 HD13 LEU 46 4.762 2.537 2.305 204 HD21 LEU 46 HD21 LEU 46 7.680 1.464 0.437 205 HD22 LEU 46 HD22 LEU 46 6.944 1.025 1.981 206 HD23 LEU 46 HD23 LEU 46 7.142 2.727 1.545 207 H LYS 47 H LYS 47 7.830 -0.420 -1.415 208 HA LYS 47 HA LYS 47 9.582 1.708 -1.157 209 HB2 LYS 47 HB3 LYS 47 11.325 -0.141 -1.501 210 HB3 LYS 47 HB2 LYS 47 10.248 -0.248 -0.155 211 HG2 LYS 47 HG3 LYS 47 10.272 -2.422 -0.868 212 HG3 LYS 47 HG2 LYS 47 8.855 -1.800 -1.709 213 HD2 LYS 47 HD3 LYS 47 9.768 -2.246 -3.706 214 HD3 LYS 47 HD2 LYS 47 11.265 -1.422 -3.275 215 HE2 LYS 47 HE3 LYS 47 12.107 -3.389 -2.196 216 HE3 LYS 47 HE2 LYS 47 10.558 -4.208 -2.397 217 HZ1 LYS 47 HZ1 LYS 47 12.394 -3.374 -4.575 218 HZ2 LYS 47 HZ2 LYS 47 10.879 -4.089 -4.806 219 HZ3 LYS 47 HZ3 LYS 47 12.117 -4.959 -4.051 220 H VAL 48 H VAL 48 8.720 -0.182 -3.909 221 HA VAL 48 HA VAL 48 10.667 0.578 -5.769 222 HB VAL 48 HB VAL 48 8.733 -1.188 -5.801 223 HG11 VAL 48 HG11 VAL 48 6.941 -0.732 -7.372 224 HG12 VAL 48 HG12 VAL 48 7.454 0.953 -7.455 225 HG13 VAL 48 HG13 VAL 48 6.848 0.291 -5.936 226 HG21 VAL 48 HG21 VAL 48 9.069 -1.494 -8.232 227 HG22 VAL 48 HG22 VAL 48 10.568 -1.224 -7.345 228 HG23 VAL 48 HG23 VAL 48 9.849 0.086 -8.283 229 H TYR 49 H TYR 49 7.699 2.179 -4.796 230 HA TYR 49 HA TYR 49 7.692 4.169 -6.869 231 HB2 TYR 49 HB3 TYR 49 5.885 3.317 -4.957 232 HB3 TYR 49 HB2 TYR 49 6.338 4.913 -4.378 233 HD1 TYR 49 HD1 TYR 49 4.683 3.047 -7.072 234 HD2 TYR 49 HD2 TYR 49 5.737 6.910 -5.623 235 HE1 TYR 49 HE1 TYR 49 3.110 4.069 -8.659 236 HE2 TYR 49 HE2 TYR 49 4.167 7.938 -7.208 237 HH TYR 49 HH TYR 49 1.830 6.165 -8.897 238 H ASN 50 H ASN 50 9.158 3.851 -3.771 239 HA ASN 50 HA ASN 50 9.820 6.589 -3.308 240 HB2 ASN 50 HB3 ASN 50 11.004 4.088 -2.083 241 HB3 ASN 50 HB2 ASN 50 11.156 5.711 -1.460 242 HD21 ASN 50 HD22 ASN 50 8.112 4.681 -2.768 243 HD22 ASN 50 HD21 ASN 50 7.292 4.459 -1.275 244 H CYS 51 H CYS 51 11.382 3.919 -4.916 245 HA CYS 51 HA CYS 51 14.030 5.008 -4.912 246 HB2 CYS 51 HB3 CYS 51 13.384 2.573 -4.949 247 HB3 CYS 51 HB2 CYS 51 12.957 2.787 -6.633 248 H TRP 52 H TRP 52 11.599 4.541 -7.530 249 HA TRP 52 HA TRP 52 13.281 6.170 -9.258 250 HB2 TRP 52 HB3 TRP 52 11.934 5.410 -11.117 251 HB3 TRP 52 HB2 TRP 52 12.575 4.108 -10.162 252 HD1 TRP 52 HD1 TRP 52 10.896 2.356 -9.204 253 HE1 TRP 52 HE1 TRP 52 8.373 1.972 -9.553 254 HE3 TRP 52 HE3 TRP 52 9.743 6.787 -11.423 255 HZ2 TRP 52 HZ2 TRP 52 6.174 3.382 -10.663 256 HZ3 TRP 52 HZ3 TRP 52 7.413 7.202 -12.107 257 HH2 TRP 52 HH2 TRP 52 5.664 5.536 -11.734 258 H ASN 53 H ASN 53 10.662 6.786 -7.313 259 HA ASN 53 HA ASN 53 9.919 9.189 -8.818 260 HB2 ASN 53 HB3 ASN 53 8.514 7.938 -6.444 261 HB3 ASN 53 HB2 ASN 53 7.971 9.343 -7.333 262 HD21 ASN 53 HD22 ASN 53 8.983 6.015 -8.005 263 HD22 ASN 53 HD21 ASN 53 7.714 5.674 -9.121 264 HA PRO 54 HA PRO 54 12.715 10.902 -5.463 265 HB2 PRO 54 HB3 PRO 54 13.717 12.964 -6.904 266 HB3 PRO 54 HB2 PRO 54 14.355 11.318 -7.051 267 HG2 PRO 54 HG3 PRO 54 12.351 12.705 -8.805 268 HG3 PRO 54 HG2 PRO 54 13.794 11.797 -9.278 269 HD2 PRO 54 HD3 PRO 54 11.387 10.652 -9.358 270 HD3 PRO 54 HD2 PRO 54 12.815 9.735 -8.843 271 H ASP 55 H ASP 55 10.578 12.665 -7.659 272 HA ASP 55 HA ASP 55 10.191 14.914 -5.903 273 HB2 ASP 55 HB3 ASP 55 10.012 14.637 -8.562 274 HB3 ASP 55 HB2 ASP 55 8.313 14.435 -8.152 275 H ASN 56 H ASN 56 8.410 11.910 -6.504 276 HA ASN 56 HA ASN 56 6.427 12.791 -4.508 277 HB2 ASN 56 HB3 ASN 56 5.760 12.492 -7.091 278 HB3 ASN 56 HB2 ASN 56 5.533 10.830 -6.559 279 HD21 ASN 56 HD22 ASN 56 3.949 10.371 -5.009 280 HD22 ASN 56 HD21 ASN 56 2.662 11.475 -4.675 281 HA PRO 57 HA PRO 57 8.179 8.640 -3.097 282 HB2 PRO 57 HB3 PRO 57 9.229 9.913 -0.718 283 HB3 PRO 57 HB2 PRO 57 10.129 9.108 -2.010 284 HG2 PRO 57 HG3 PRO 57 10.292 11.785 -1.555 285 HG3 PRO 57 HG2 PRO 57 10.516 11.053 -3.156 286 HD2 PRO 57 HD3 PRO 57 8.067 12.374 -2.022 287 HD3 PRO 57 HD2 PRO 57 8.806 12.563 -3.630 288 H TYR 58 H TYR 58 7.584 7.394 -1.097 289 HA TYR 58 HA TYR 58 5.446 8.663 0.477 290 HB2 TYR 58 HB3 TYR 58 5.358 5.990 -0.906 291 HB3 TYR 58 HB2 TYR 58 4.350 6.332 0.495 292 HD1 TYR 58 HD1 TYR 58 2.517 7.944 0.352 293 HD2 TYR 58 HD2 TYR 58 4.915 7.055 -3.053 294 HE1 TYR 58 HE1 TYR 58 0.843 9.007 -1.098 295 HE2 TYR 58 HE2 TYR 58 3.245 8.116 -4.511 296 HH TYR 58 HH TYR 58 0.711 10.043 -3.309 297 H LYS 59 H LYS 59 5.421 8.239 2.623 298 HA LYS 59 HA LYS 59 7.570 6.520 3.649 299 HB2 LYS 59 HB3 LYS 59 6.325 8.993 4.868 300 HB3 LYS 59 HB2 LYS 59 7.488 7.962 5.679 301 HG2 LYS 59 HG3 LYS 59 9.177 8.498 4.032 302 HG3 LYS 59 HG2 LYS 59 8.014 9.478 3.136 303 HD2 LYS 59 HD3 LYS 59 7.789 10.962 5.082 304 HD3 LYS 59 HD2 LYS 59 8.978 9.987 5.950 305 HE2 LYS 59 HE3 LYS 59 10.656 10.523 4.251 306 HE3 LYS 59 HE2 LYS 59 9.466 11.493 3.382 307 HZ1 LYS 59 HZ1 LYS 59 10.451 12.022 6.134 308 HZ2 LYS 59 HZ2 LYS 59 9.311 12.953 5.301 309 HZ3 LYS 59 HZ3 LYS 59 10.906 12.871 4.743 310 H GLU 60 H GLU 60 7.086 4.911 5.013 311 HA GLU 60 HA GLU 60 4.374 4.039 5.219 312 HB2 GLU 60 HB3 GLU 60 6.758 2.784 5.025 313 HB3 GLU 60 HB2 GLU 60 6.460 2.614 6.748 314 HG2 GLU 60 HG3 GLU 60 4.340 1.529 6.298 315 HG3 GLU 60 HG2 GLU 60 4.579 1.749 4.563 316 H VAL 61 H VAL 61 2.990 4.707 6.667 317 HA VAL 61 HA VAL 61 3.737 5.536 9.338 318 HB VAL 61 HB VAL 61 1.100 5.757 9.501 319 HG11 VAL 61 HG11 VAL 61 2.644 7.612 9.638 320 HG12 VAL 61 HG12 VAL 61 1.242 8.038 8.663 321 HG13 VAL 61 HG13 VAL 61 2.774 7.654 7.884 322 HG21 VAL 61 HG21 VAL 61 1.400 6.178 6.542 323 HG22 VAL 61 HG22 VAL 61 -0.078 6.134 7.502 324 HG23 VAL 61 HG23 VAL 61 0.831 4.649 7.208 325 H LYS 62 H LYS 62 1.665 3.029 7.858 326 HA LYS 62 HA LYS 62 2.142 1.054 9.857 327 HB2 LYS 62 HB3 LYS 62 0.414 2.911 10.830 328 HB3 LYS 62 HB2 LYS 62 -0.714 1.866 9.967 329 HG2 LYS 62 HG3 LYS 62 -0.782 0.890 12.042 330 HG3 LYS 62 HG2 LYS 62 0.547 -0.024 11.333 331 HD2 LYS 62 HD3 LYS 62 2.148 1.517 12.403 332 HD3 LYS 62 HD2 LYS 62 0.800 2.382 13.142 333 HE2 LYS 62 HE3 LYS 62 0.148 0.365 14.344 334 HE3 LYS 62 HE2 LYS 62 1.462 -0.528 13.580 335 HZ1 LYS 62 HZ1 LYS 62 2.061 0.175 15.806 336 HZ2 LYS 62 HZ2 LYS 62 1.779 1.794 15.405 337 HZ3 LYS 62 HZ3 LYS 62 3.042 0.947 14.666 338 H VAL 63 H VAL 63 0.493 -0.831 9.635 339 HA VAL 63 HA VAL 63 -0.256 -1.098 6.813 340 HB VAL 63 HB VAL 63 -0.650 -3.570 7.479 341 HG11 VAL 63 HG11 VAL 63 2.130 -2.409 7.507 342 HG12 VAL 63 HG12 VAL 63 1.213 -2.946 6.103 343 HG13 VAL 63 HG13 VAL 63 1.755 -4.118 7.297 344 HG21 VAL 63 HG21 VAL 63 0.554 -4.390 9.412 345 HG22 VAL 63 HG22 VAL 63 -0.629 -3.177 9.907 346 HG23 VAL 63 HG23 VAL 63 1.077 -2.751 9.807 347 H GLY 64 H GLY 64 -2.149 -0.181 6.560 348 HA2 GLY 64 HA3 GLY 64 -4.553 -1.399 7.239 349 HA3 GLY 64 HA2 GLY 64 -4.287 -0.118 8.416 350 H GLU 65 H GLU 65 -6.272 0.745 7.504 351 HA GLU 65 HA GLU 65 -5.794 2.296 5.046 352 HB2 GLU 65 HB3 GLU 65 -8.028 0.768 5.758 353 HB3 GLU 65 HB2 GLU 65 -8.498 2.435 6.070 354 HG2 GLU 65 HG3 GLU 65 -8.071 3.073 3.824 355 HG3 GLU 65 HG2 GLU 65 -7.322 1.520 3.466 356 H CYS 66 H CYS 66 -5.054 4.213 5.499 357 HA CYS 66 HA CYS 66 -5.760 5.507 8.030 358 HB2 CYS 66 HB3 CYS 66 -3.728 6.821 7.738 359 HB3 CYS 66 HB2 CYS 66 -3.385 5.102 7.682 360 H ASP 67 H ASP 67 -6.365 7.614 8.188 361 HA ASP 67 HA ASP 67 -7.409 8.867 5.741 362 HB2 ASP 67 HB3 ASP 67 -9.001 10.067 7.341 363 HB3 ASP 67 HB2 ASP 67 -9.269 8.346 7.127 364 H ASP 68 H ASP 68 -7.711 11.391 6.138 365 HA ASP 68 HA ASP 68 -5.068 12.460 6.453 366 HB2 ASP 68 HB3 ASP 68 -6.156 14.647 5.841 367 HB3 ASP 68 HB2 ASP 68 -6.379 13.355 4.671 368 H ALA 69 H ALA 69 -7.241 11.731 8.805 369 HA ALA 69 HA ALA 69 -6.781 14.091 10.474 370 HB1 ALA 69 HB1 ALA 69 -9.050 13.173 10.343 371 HB2 ALA 69 HB2 ALA 69 -8.419 13.120 11.988 372 HB3 ALA 69 HB3 ALA 69 -8.470 11.649 11.017 373 H ASN 70 H ASN 70 -5.064 11.371 9.828 374 HA ASN 70 HA ASN 70 -4.155 10.884 12.565 375 HB2 ASN 70 HB3 ASN 70 -3.904 9.334 9.996 376 HB3 ASN 70 HB2 ASN 70 -2.846 8.993 11.362 377 HD21 ASN 70 HD22 ASN 70 -6.096 8.880 10.149 378 HD22 ASN 70 HD21 ASN 70 -6.736 7.847 11.377 379 H LYS 71 H LYS 71 -1.969 10.934 13.102 380 HA LYS 71 HA LYS 71 -0.421 12.910 11.633 381 HB2 LYS 71 HB3 LYS 71 1.064 12.931 13.653 382 HB3 LYS 71 HB2 LYS 71 -0.598 13.382 13.973 383 HG2 LYS 71 HG3 LYS 71 0.120 10.534 14.417 384 HG3 LYS 71 HG2 LYS 71 0.782 11.715 15.546 385 HD2 LYS 71 HD3 LYS 71 -1.466 12.528 16.035 386 HD3 LYS 71 HD2 LYS 71 -2.144 11.393 14.864 387 HE2 LYS 71 HE3 LYS 71 -1.300 9.520 16.193 388 HE3 LYS 71 HE2 LYS 71 -0.617 10.653 17.359 389 HZ1 LYS 71 HZ1 LYS 71 -2.846 11.442 17.846 390 HZ2 LYS 71 HZ2 LYS 71 -2.738 9.775 18.107 391 HZ3 LYS 71 HZ3 LYS 71 -3.503 10.365 16.719 392 HA PRO 72 HA PRO 72 2.489 9.950 9.929 393 HB2 PRO 72 HB3 PRO 72 4.736 11.798 10.144 394 HB3 PRO 72 HB2 PRO 72 3.871 11.271 8.696 395 HG2 PRO 72 HG3 PRO 72 3.700 13.802 9.609 396 HG3 PRO 72 HG2 PRO 72 2.345 12.989 8.798 397 HD2 PRO 72 HD3 PRO 72 2.806 13.390 11.737 398 HD3 PRO 72 HD2 PRO 72 1.323 13.623 10.786 399 H VAL 73 H VAL 73 3.806 8.351 10.586 400 HA VAL 73 HA VAL 73 5.426 8.737 12.989 401 HB VAL 73 HB VAL 73 4.871 6.273 13.578 402 HG11 VAL 73 HG11 VAL 73 2.912 8.520 14.010 403 HG12 VAL 73 HG12 VAL 73 4.312 8.120 15.005 404 HG13 VAL 73 HG13 VAL 73 2.939 7.016 14.931 405 HG21 VAL 73 HG21 VAL 73 2.450 6.960 11.906 406 HG22 VAL 73 HG22 VAL 73 2.531 5.626 13.056 407 HG23 VAL 73 HG23 VAL 73 3.581 5.633 11.641 Start of MODEL 8 1 H CYS 18 H CYS 18 18.439 1.357 -1.477 2 HA CYS 18 HA CYS 18 15.607 1.017 -1.690 3 HB2 CYS 18 HB3 CYS 18 17.063 0.731 -4.314 4 HB3 CYS 18 HB2 CYS 18 15.336 0.806 -4.020 5 H GLN 19 H GLN 19 15.226 -1.016 -1.387 6 HA GLN 19 HA GLN 19 17.191 -3.010 -2.150 7 HB2 GLN 19 HB3 GLN 19 16.488 -4.180 0.091 8 HB3 GLN 19 HB2 GLN 19 17.673 -2.880 0.092 9 HG2 GLN 19 HG3 GLN 19 16.484 -2.016 1.763 10 HG3 GLN 19 HG2 GLN 19 15.376 -1.488 0.501 11 HE21 GLN 19 HE22 GLN 19 13.402 -2.474 0.306 12 HE22 GLN 19 HE21 GLN 19 12.788 -3.595 1.465 13 H LEU 20 H LEU 20 16.247 -3.987 -3.702 14 HA LEU 20 HA LEU 20 13.414 -4.404 -3.842 15 HB2 LEU 20 HB3 LEU 20 14.988 -3.662 -5.745 16 HB3 LEU 20 HB2 LEU 20 15.435 -5.345 -5.866 17 HG LEU 20 HG LEU 20 13.709 -4.419 -7.534 18 HD11 LEU 20 HD11 LEU 20 14.182 -6.779 -7.352 19 HD12 LEU 20 HD12 LEU 20 12.457 -6.512 -7.607 20 HD13 LEU 20 HD13 LEU 20 13.059 -6.925 -6.001 21 HD21 LEU 20 HD21 LEU 20 11.450 -4.227 -6.940 22 HD22 LEU 20 HD22 LEU 20 12.321 -3.323 -5.701 23 HD23 LEU 20 HD23 LEU 20 11.714 -4.942 -5.348 24 H PHE 21 H PHE 21 12.801 -5.857 -2.495 25 HA PHE 21 HA PHE 21 13.247 -8.641 -3.172 26 HB2 PHE 21 HB3 PHE 21 13.802 -9.436 -1.023 27 HB3 PHE 21 HB2 PHE 21 14.774 -7.988 -1.185 28 HD1 PHE 21 HD1 PHE 21 14.154 -5.942 0.106 29 HD2 PHE 21 HD2 PHE 21 12.173 -9.668 0.672 30 HE1 PHE 21 HE1 PHE 21 13.276 -5.151 2.265 31 HE2 PHE 21 HE2 PHE 21 11.292 -8.879 2.827 32 HZ PHE 21 HZ PHE 21 11.843 -6.616 3.627 33 H CYS 22 H CYS 22 11.292 -9.135 -3.878 34 HA CYS 22 HA CYS 22 8.954 -8.128 -2.414 35 HB2 CYS 22 HB3 CYS 22 9.522 -8.504 -5.272 36 HB3 CYS 22 HB2 CYS 22 7.904 -8.966 -4.763 37 HA PRO 23 HA PRO 23 8.207 -12.561 -1.536 38 HB2 PRO 23 HB3 PRO 23 6.652 -11.769 0.749 39 HB3 PRO 23 HB2 PRO 23 8.252 -12.517 0.742 40 HG2 PRO 23 HG3 PRO 23 7.760 -9.951 1.600 41 HG3 PRO 23 HG2 PRO 23 9.332 -10.538 1.027 42 HD2 PRO 23 HD3 PRO 23 7.283 -8.908 -0.426 43 HD3 PRO 23 HD2 PRO 23 9.059 -8.813 -0.466 44 H MET 24 H MET 24 6.153 -13.840 -1.386 45 HA MET 24 HA MET 24 3.980 -12.436 -2.763 46 HB2 MET 24 HB3 MET 24 4.721 -15.340 -2.522 47 HB3 MET 24 HB2 MET 24 3.110 -14.869 -3.042 48 HG2 MET 24 HG3 MET 24 4.070 -13.630 -4.914 49 HG3 MET 24 HG2 MET 24 5.690 -14.083 -4.386 50 HE1 MET 24 HE1 MET 24 6.155 -17.665 -5.491 51 HE2 MET 24 HE2 MET 24 6.123 -16.894 -3.906 52 HE3 MET 24 HE3 MET 24 6.915 -16.090 -5.260 53 H ILE 25 H ILE 25 3.015 -11.344 -1.100 54 HA ILE 25 HA ILE 25 1.144 -12.863 0.518 55 HB ILE 25 HB ILE 25 2.025 -10.757 2.206 56 HG12 ILE 25 HG13 ILE 25 4.306 -12.513 2.423 57 HG13 ILE 25 HG12 ILE 25 4.268 -11.757 0.833 58 HG21 ILE 25 HG21 ILE 25 2.338 -12.578 3.829 59 HG22 ILE 25 HG22 ILE 25 2.183 -13.745 2.516 60 HG23 ILE 25 HG23 ILE 25 0.820 -12.709 2.941 61 HD11 ILE 25 HD11 ILE 25 5.586 -10.482 2.462 62 HD12 ILE 25 HD12 ILE 25 4.143 -10.280 3.454 63 HD13 ILE 25 HD13 ILE 25 4.215 -9.563 1.845 64 H TYR 26 H TYR 26 -0.679 -11.554 1.204 65 HA TYR 26 HA TYR 26 -0.818 -8.980 -0.217 66 HB2 TYR 26 HB3 TYR 26 -2.351 -10.738 -1.020 67 HB3 TYR 26 HB2 TYR 26 -3.153 -10.754 0.538 68 HD1 TYR 26 HD1 TYR 26 -2.676 -8.931 -2.611 69 HD2 TYR 26 HD2 TYR 26 -4.628 -8.901 1.173 70 HE1 TYR 26 HE1 TYR 26 -4.183 -7.160 -3.407 71 HE2 TYR 26 HE2 TYR 26 -6.138 -7.129 0.385 72 HH TYR 26 HH TYR 26 -6.415 -6.264 -2.881 73 H ALA 27 H ALA 27 -0.191 -7.620 1.164 74 HA ALA 27 HA ALA 27 -1.670 -7.242 3.678 75 HB1 ALA 27 HB1 ALA 27 0.366 -6.636 4.869 76 HB2 ALA 27 HB2 ALA 27 1.324 -6.960 3.423 77 HB3 ALA 27 HB3 ALA 27 0.479 -8.278 4.234 78 HA PRO 28 HA PRO 28 -1.857 -3.153 1.558 79 HB2 PRO 28 HB3 PRO 28 -3.957 -2.515 3.507 80 HB3 PRO 28 HB2 PRO 28 -4.060 -2.576 1.744 81 HG2 PRO 28 HG3 PRO 28 -5.284 -4.408 3.277 82 HG3 PRO 28 HG2 PRO 28 -4.581 -4.818 1.699 83 HD2 PRO 28 HD3 PRO 28 -3.447 -5.284 4.438 84 HD3 PRO 28 HD2 PRO 28 -3.499 -6.374 3.034 85 H ILE 29 H ILE 29 -0.553 -1.489 2.053 86 HA ILE 29 HA ILE 29 -0.184 -0.764 4.896 87 HB ILE 29 HB ILE 29 1.971 -0.319 2.846 88 HG12 ILE 29 HG13 ILE 29 1.534 -2.744 2.771 89 HG13 ILE 29 HG12 ILE 29 3.107 -2.398 3.465 90 HG21 ILE 29 HG21 ILE 29 2.229 0.910 4.906 91 HG22 ILE 29 HG22 ILE 29 3.477 -0.330 4.795 92 HG23 ILE 29 HG23 ILE 29 2.086 -0.574 5.849 93 HD11 ILE 29 HD11 ILE 29 1.653 -4.255 4.506 94 HD12 ILE 29 HD12 ILE 29 0.743 -2.933 5.230 95 HD13 ILE 29 HD13 ILE 29 2.458 -3.118 5.584 96 H CYS 30 H CYS 30 -0.288 1.339 5.489 97 HA CYS 30 HA CYS 30 -1.045 3.299 3.415 98 HB2 CYS 30 HB3 CYS 30 -2.211 2.681 5.834 99 HB3 CYS 30 HB2 CYS 30 -1.274 4.125 6.216 100 H ALA 31 H ALA 31 0.075 5.164 3.091 101 HA ALA 31 HA ALA 31 2.322 5.862 4.796 102 HB1 ALA 31 HB1 ALA 31 3.246 4.344 3.094 103 HB2 ALA 31 HB2 ALA 31 3.891 5.976 2.943 104 HB3 ALA 31 HB3 ALA 31 2.646 5.410 1.828 105 H THR 32 H THR 32 2.650 8.040 4.886 106 HA THR 32 HA THR 32 1.174 9.715 2.976 107 HB THR 32 HB THR 32 -0.146 9.716 5.024 108 HG1 THR 32 HG1 THR 32 -0.141 12.024 5.325 109 HG21 THR 32 HG21 THR 32 2.422 10.118 6.362 110 HG22 THR 32 HG22 THR 32 0.889 9.543 7.022 111 HG23 THR 32 HG23 THR 32 1.193 11.273 6.873 112 H ASP 33 H ASP 33 2.233 11.333 2.128 113 HA ASP 33 HA ASP 33 4.875 12.060 3.256 114 HB2 ASP 33 HB3 ASP 33 4.561 11.064 0.843 115 HB3 ASP 33 HB2 ASP 33 4.075 12.703 0.432 116 H GLY 34 H GLY 34 2.378 13.137 4.237 117 HA2 GLY 34 HA3 GLY 34 1.865 15.293 5.094 118 HA3 GLY 34 HA2 GLY 34 2.853 16.013 3.827 119 H VAL 35 H VAL 35 1.727 14.504 1.749 120 HA VAL 35 HA VAL 35 -0.679 15.950 1.088 121 HB VAL 35 HB VAL 35 -0.311 14.591 -1.103 122 HG11 VAL 35 HG11 VAL 35 0.024 16.976 -0.967 123 HG12 VAL 35 HG12 VAL 35 1.316 16.246 -1.920 124 HG13 VAL 35 HG13 VAL 35 1.619 16.733 -0.253 125 HG21 VAL 35 HG21 VAL 35 1.373 13.048 -0.018 126 HG22 VAL 35 HG22 VAL 35 2.505 14.402 -0.069 127 HG23 VAL 35 HG23 VAL 35 1.854 13.743 -1.570 128 H SER 36 H SER 36 -2.457 14.553 -0.121 129 HA SER 36 HA SER 36 -3.617 12.749 1.661 130 HB2 SER 36 HB3 SER 36 -4.750 13.892 -0.315 131 HB3 SER 36 HB2 SER 36 -4.026 12.657 -1.343 132 HG SER 36 HG SER 36 -6.141 12.478 0.425 133 H GLN 37 H GLN 37 -3.355 10.670 2.082 134 HA GLN 37 HA GLN 37 -0.942 9.398 1.176 135 HB2 GLN 37 HB3 GLN 37 -2.025 7.584 2.856 136 HB3 GLN 37 HB2 GLN 37 -0.999 8.898 3.346 137 HG2 GLN 37 HG3 GLN 37 -3.853 9.532 3.206 138 HG3 GLN 37 HG2 GLN 37 -3.385 8.337 4.408 139 HE21 GLN 37 HE22 GLN 37 -2.477 11.538 3.199 140 HE22 GLN 37 HE21 GLN 37 -1.962 12.152 4.711 141 H ARG 38 H ARG 38 -0.798 7.149 0.785 142 HA ARG 38 HA ARG 38 -2.978 6.077 -0.877 143 HB2 ARG 38 HB3 ARG 38 -0.760 7.123 -1.977 144 HB3 ARG 38 HB2 ARG 38 -0.181 5.491 -1.690 145 HG2 ARG 38 HG3 ARG 38 -2.207 4.675 -2.892 146 HG3 ARG 38 HG2 ARG 38 -2.528 6.343 -3.360 147 HD2 ARG 38 HD3 ARG 38 -0.309 6.443 -4.427 148 HD3 ARG 38 HD2 ARG 38 -0.048 4.750 -4.006 149 HE ARG 38 HE ARG 38 -2.336 4.627 -5.396 150 HH11 ARG 38 HH11 ARG 38 0.715 6.200 -6.173 151 HH12 ARG 38 HH12 ARG 38 0.502 6.015 -7.882 152 HH21 ARG 38 HH21 ARG 38 -2.588 4.405 -7.634 153 HH22 ARG 38 HH22 ARG 38 -1.364 5.001 -8.706 154 H THR 39 H THR 39 -3.012 3.801 -1.108 155 HA THR 39 HA THR 39 -1.660 2.345 1.073 156 HB THR 39 HB THR 39 -4.102 1.117 -0.071 157 HG1 THR 39 HG1 THR 39 -5.107 3.022 0.108 158 HG21 THR 39 HG21 THR 39 -4.531 0.574 2.272 159 HG22 THR 39 HG22 THR 39 -3.189 1.603 2.771 160 HG23 THR 39 HG23 THR 39 -2.878 0.143 1.830 161 H PHE 40 H PHE 40 -0.269 0.839 0.477 162 HA PHE 40 HA PHE 40 -0.176 -0.071 -2.302 163 HB2 PHE 40 HB3 PHE 40 1.827 -0.402 -0.043 164 HB3 PHE 40 HB2 PHE 40 2.058 -0.972 -1.683 165 HD1 PHE 40 HD1 PHE 40 1.751 2.058 0.405 166 HD2 PHE 40 HD2 PHE 40 2.793 0.479 -3.410 167 HE1 PHE 40 HE1 PHE 40 2.761 4.215 -0.213 168 HE2 PHE 40 HE2 PHE 40 3.804 2.635 -4.027 169 HZ PHE 40 HZ PHE 40 3.788 4.506 -2.429 170 H SER 41 H SER 41 0.256 -2.376 -2.744 171 HA SER 41 HA SER 41 -1.582 -4.074 -1.336 172 HB2 SER 41 HB3 SER 41 -1.150 -4.078 -3.840 173 HB3 SER 41 HB2 SER 41 0.359 -4.919 -3.489 174 HG SER 41 HG SER 41 -1.178 -6.465 -3.894 175 H ASN 42 H ASN 42 1.788 -3.434 -1.041 176 HA ASN 42 HA ASN 42 2.119 -5.161 1.188 177 HB2 ASN 42 HB3 ASN 42 2.412 -6.575 -1.139 178 HB3 ASN 42 HB2 ASN 42 4.062 -6.011 -0.907 179 HD21 ASN 42 HD22 ASN 42 1.428 -7.773 0.619 180 HD22 ASN 42 HD21 ASN 42 2.430 -8.769 1.613 181 HA PRO 43 HA PRO 43 5.393 -2.217 2.205 182 HB2 PRO 43 HB3 PRO 43 7.119 -4.571 2.852 183 HB3 PRO 43 HB2 PRO 43 6.797 -3.117 3.810 184 HG2 PRO 43 HG3 PRO 43 5.606 -5.368 4.462 185 HG3 PRO 43 HG2 PRO 43 4.688 -3.847 4.470 186 HD2 PRO 43 HD3 PRO 43 4.649 -6.060 2.460 187 HD3 PRO 43 HD2 PRO 43 3.313 -5.070 3.076 188 H CYS 44 H CYS 44 6.243 -4.919 0.072 189 HA CYS 44 HA CYS 44 8.725 -3.810 -0.813 190 HB2 CYS 44 HB3 CYS 44 8.247 -6.231 -0.943 191 HB3 CYS 44 HB2 CYS 44 7.017 -5.908 -2.160 192 H ASP 45 H ASP 45 5.409 -3.597 -1.908 193 HA ASP 45 HA ASP 45 5.914 -2.371 -4.429 194 HB2 ASP 45 HB3 ASP 45 3.466 -2.614 -2.693 195 HB3 ASP 45 HB2 ASP 45 3.442 -1.684 -4.188 196 H LEU 46 H LEU 46 5.807 -1.167 -1.186 197 HA LEU 46 HA LEU 46 5.157 1.540 -1.737 198 HB2 LEU 46 HB3 LEU 46 4.645 0.443 0.358 199 HB3 LEU 46 HB2 LEU 46 6.329 0.128 0.656 200 HG LEU 46 HG LEU 46 5.676 2.936 0.282 201 HD11 LEU 46 HD11 LEU 46 3.752 2.662 1.514 202 HD12 LEU 46 HD12 LEU 46 4.947 2.985 2.773 203 HD13 LEU 46 HD13 LEU 46 4.426 1.333 2.457 204 HD21 LEU 46 HD21 LEU 46 7.159 1.562 2.505 205 HD22 LEU 46 HD22 LEU 46 7.228 3.272 2.064 206 HD23 LEU 46 HD23 LEU 46 7.890 2.052 0.976 207 H LYS 47 H LYS 47 8.227 0.009 -0.627 208 HA LYS 47 HA LYS 47 9.723 2.347 -0.647 209 HB2 LYS 47 HB3 LYS 47 11.447 1.050 0.027 210 HB3 LYS 47 HB2 LYS 47 10.127 0.011 0.438 211 HG2 LYS 47 HG3 LYS 47 11.513 -0.359 -2.175 212 HG3 LYS 47 HG2 LYS 47 12.295 -0.914 -0.699 213 HD2 LYS 47 HD3 LYS 47 10.434 -2.335 -0.179 214 HD3 LYS 47 HD2 LYS 47 9.510 -1.689 -1.537 215 HE2 LYS 47 HE3 LYS 47 12.148 -3.101 -1.870 216 HE3 LYS 47 HE2 LYS 47 10.605 -3.942 -1.901 217 HZ1 LYS 47 HZ1 LYS 47 11.409 -1.762 -3.748 218 HZ2 LYS 47 HZ2 LYS 47 9.936 -2.590 -3.784 219 HZ3 LYS 47 HZ3 LYS 47 11.373 -3.410 -4.129 220 H VAL 48 H VAL 48 9.245 -0.013 -3.138 221 HA VAL 48 HA VAL 48 11.116 0.747 -5.051 222 HB VAL 48 HB VAL 48 9.427 -1.228 -4.925 223 HG11 VAL 48 HG11 VAL 48 7.846 0.552 -6.737 224 HG12 VAL 48 HG12 VAL 48 7.358 -0.024 -5.141 225 HG13 VAL 48 HG13 VAL 48 7.565 -1.169 -6.469 226 HG21 VAL 48 HG21 VAL 48 11.225 -1.172 -6.509 227 HG22 VAL 48 HG22 VAL 48 10.328 -0.056 -7.538 228 HG23 VAL 48 HG23 VAL 48 9.759 -1.712 -7.327 229 H TYR 49 H TYR 49 7.943 2.066 -4.358 230 HA TYR 49 HA TYR 49 7.710 3.789 -6.617 231 HB2 TYR 49 HB3 TYR 49 6.028 2.984 -4.621 232 HB3 TYR 49 HB2 TYR 49 6.357 4.642 -4.140 233 HD1 TYR 49 HD2 TYR 49 4.817 2.503 -6.697 234 HD2 TYR 49 HD1 TYR 49 5.571 6.510 -5.474 235 HE1 TYR 49 HE2 TYR 49 3.145 3.306 -8.312 236 HE2 TYR 49 HE1 TYR 49 3.900 7.321 -7.083 237 HH TYR 49 HH TYR 49 2.836 6.576 -9.167 238 H ASN 50 H ASN 50 9.151 4.125 -3.465 239 HA ASN 50 HA ASN 50 9.555 6.949 -3.508 240 HB2 ASN 50 HB3 ASN 50 11.246 5.146 -1.828 241 HB3 ASN 50 HB2 ASN 50 10.530 6.682 -1.425 242 HD21 ASN 50 HD22 ASN 50 7.844 5.802 -2.343 243 HD22 ASN 50 HD21 ASN 50 7.287 4.672 -1.170 244 H CYS 51 H CYS 51 11.379 4.181 -4.540 245 HA CYS 51 HA CYS 51 13.946 5.364 -4.755 246 HB2 CYS 51 HB3 CYS 51 13.383 2.914 -4.538 247 HB3 CYS 51 HB2 CYS 51 12.939 2.940 -6.231 248 H TRP 52 H TRP 52 11.574 4.507 -7.337 249 HA TRP 52 HA TRP 52 13.193 6.041 -9.208 250 HB2 TRP 52 HB3 TRP 52 11.876 5.033 -10.988 251 HB3 TRP 52 HB2 TRP 52 12.647 3.884 -9.936 252 HD1 TRP 52 HD1 TRP 52 11.105 2.167 -8.639 253 HE1 TRP 52 HE1 TRP 52 8.639 1.493 -8.971 254 HE3 TRP 52 HE3 TRP 52 9.643 6.057 -11.550 255 HZ2 TRP 52 HZ2 TRP 52 6.360 2.501 -10.341 256 HZ3 TRP 52 HZ3 TRP 52 7.310 6.145 -12.353 257 HH2 TRP 52 HH2 TRP 52 5.701 4.403 -11.757 258 H ASN 53 H ASN 53 10.443 6.634 -7.417 259 HA ASN 53 HA ASN 53 9.620 8.871 -9.110 260 HB2 ASN 53 HB3 ASN 53 8.252 7.714 -6.668 261 HB3 ASN 53 HB2 ASN 53 7.645 9.039 -7.637 262 HD21 ASN 53 HD22 ASN 53 8.832 5.730 -8.112 263 HD22 ASN 53 HD21 ASN 53 7.590 5.269 -9.218 264 HA PRO 54 HA PRO 54 12.281 11.023 -5.914 265 HB2 PRO 54 HB3 PRO 54 13.084 13.063 -7.503 266 HB3 PRO 54 HB2 PRO 54 13.848 11.464 -7.564 267 HG2 PRO 54 HG3 PRO 54 11.701 12.574 -9.348 268 HG3 PRO 54 HG2 PRO 54 13.205 11.760 -9.803 269 HD2 PRO 54 HD3 PRO 54 10.909 10.414 -9.750 270 HD3 PRO 54 HD2 PRO 54 12.416 9.658 -9.204 271 H ASP 55 H ASP 55 9.982 12.526 -8.162 272 HA ASP 55 HA ASP 55 9.512 14.858 -6.562 273 HB2 ASP 55 HB3 ASP 55 8.226 13.741 -9.035 274 HB3 ASP 55 HB2 ASP 55 7.567 15.157 -8.223 275 H ASN 56 H ASN 56 7.870 11.725 -6.791 276 HA ASN 56 HA ASN 56 5.960 12.694 -4.763 277 HB2 ASN 56 HB3 ASN 56 5.159 12.146 -7.257 278 HB3 ASN 56 HB2 ASN 56 5.068 10.518 -6.593 279 HD21 ASN 56 HD22 ASN 56 3.595 10.076 -4.945 280 HD22 ASN 56 HD21 ASN 56 2.265 11.124 -4.604 281 HA PRO 57 HA PRO 57 8.003 8.810 -3.064 282 HB2 PRO 57 HB3 PRO 57 9.008 10.350 -0.833 283 HB3 PRO 57 HB2 PRO 57 9.934 9.513 -2.084 284 HG2 PRO 57 HG3 PRO 57 9.898 12.227 -1.849 285 HG3 PRO 57 HG2 PRO 57 10.146 11.382 -3.391 286 HD2 PRO 57 HD3 PRO 57 7.626 12.599 -2.300 287 HD3 PRO 57 HD2 PRO 57 8.310 12.711 -3.939 288 H TYR 58 H TYR 58 7.481 7.645 -1.065 289 HA TYR 58 HA TYR 58 5.361 8.871 0.567 290 HB2 TYR 58 HB3 TYR 58 5.355 6.114 -0.669 291 HB3 TYR 58 HB2 TYR 58 4.324 6.550 0.690 292 HD1 TYR 58 HD1 TYR 58 2.431 8.050 0.390 293 HD2 TYR 58 HD2 TYR 58 4.922 7.011 -2.904 294 HE1 TYR 58 HE1 TYR 58 0.733 8.918 -1.161 295 HE2 TYR 58 HE2 TYR 58 3.230 7.878 -4.461 296 HH TYR 58 HH TYR 58 0.618 9.790 -3.468 297 H LYS 59 H LYS 59 5.284 8.272 2.742 298 HA LYS 59 HA LYS 59 7.631 6.778 3.702 299 HB2 LYS 59 HB3 LYS 59 6.268 9.217 4.822 300 HB3 LYS 59 HB2 LYS 59 7.297 8.201 5.810 301 HG2 LYS 59 HG3 LYS 59 9.182 8.624 4.328 302 HG3 LYS 59 HG2 LYS 59 8.150 9.626 3.303 303 HD2 LYS 59 HD3 LYS 59 7.780 11.159 5.180 304 HD3 LYS 59 HD2 LYS 59 8.813 10.156 6.201 305 HE2 LYS 59 HE3 LYS 59 10.207 11.908 5.496 306 HE3 LYS 59 HE2 LYS 59 10.631 10.557 4.446 307 HZ1 LYS 59 HZ1 LYS 59 10.413 12.606 3.193 308 HZ2 LYS 59 HZ2 LYS 59 8.822 12.805 3.732 309 HZ3 LYS 59 HZ3 LYS 59 9.217 11.506 2.724 310 H GLU 60 H GLU 60 7.258 4.999 4.826 311 HA GLU 60 HA GLU 60 4.701 3.897 5.170 312 HB2 GLU 60 HB3 GLU 60 7.201 2.894 5.117 313 HB3 GLU 60 HB2 GLU 60 6.898 2.829 6.847 314 HG2 GLU 60 HG3 GLU 60 4.892 1.496 6.453 315 HG3 GLU 60 HG2 GLU 60 5.180 1.571 4.717 316 H VAL 61 H VAL 61 3.200 4.425 6.539 317 HA VAL 61 HA VAL 61 3.808 5.525 9.168 318 HB VAL 61 HB VAL 61 1.078 5.326 7.868 319 HG11 VAL 61 HG11 VAL 61 1.142 5.823 10.300 320 HG12 VAL 61 HG12 VAL 61 0.419 7.110 9.335 321 HG13 VAL 61 HG13 VAL 61 2.065 7.281 9.938 322 HG21 VAL 61 HG21 VAL 61 1.399 7.159 6.582 323 HG22 VAL 61 HG22 VAL 61 3.104 6.721 6.723 324 HG23 VAL 61 HG23 VAL 61 2.419 7.941 7.790 325 H LYS 62 H LYS 62 1.780 2.936 7.717 326 HA LYS 62 HA LYS 62 2.241 1.042 9.789 327 HB2 LYS 62 HB3 LYS 62 0.551 2.952 10.731 328 HB3 LYS 62 HB2 LYS 62 -0.607 1.877 9.952 329 HG2 LYS 62 HG3 LYS 62 0.179 0.019 11.331 330 HG3 LYS 62 HG2 LYS 62 1.371 1.076 12.090 331 HD2 LYS 62 HD3 LYS 62 -0.438 2.480 12.962 332 HD3 LYS 62 HD2 LYS 62 -1.625 1.416 12.206 333 HE2 LYS 62 HE3 LYS 62 -0.836 -0.443 13.585 334 HE3 LYS 62 HE2 LYS 62 0.358 0.615 14.333 335 HZ1 LYS 62 HZ1 LYS 62 -1.443 1.968 15.209 336 HZ2 LYS 62 HZ2 LYS 62 -1.594 0.365 15.727 337 HZ3 LYS 62 HZ3 LYS 62 -2.588 0.951 14.492 338 H VAL 63 H VAL 63 0.587 -0.847 9.669 339 HA VAL 63 HA VAL 63 -0.236 -1.204 6.891 340 HB VAL 63 HB VAL 63 1.150 -3.019 7.597 341 HG11 VAL 63 HG11 VAL 63 0.758 -4.403 9.585 342 HG12 VAL 63 HG12 VAL 63 -0.562 -3.338 10.062 343 HG13 VAL 63 HG13 VAL 63 1.089 -2.723 10.004 344 HG21 VAL 63 HG21 VAL 63 -1.539 -4.261 8.016 345 HG22 VAL 63 HG22 VAL 63 -0.137 -4.908 7.164 346 HG23 VAL 63 HG23 VAL 63 -1.079 -3.600 6.450 347 H GLY 64 H GLY 64 -2.129 -0.242 6.646 348 HA2 GLY 64 HA3 GLY 64 -4.541 -1.348 7.478 349 HA3 GLY 64 HA2 GLY 64 -4.188 -0.018 8.577 350 H GLU 65 H GLU 65 -6.173 0.875 7.691 351 HA GLU 65 HA GLU 65 -5.693 2.316 5.165 352 HB2 GLU 65 HB3 GLU 65 -7.925 0.787 5.881 353 HB3 GLU 65 HB2 GLU 65 -8.420 2.457 6.131 354 HG2 GLU 65 HG3 GLU 65 -7.940 3.026 3.871 355 HG3 GLU 65 HG2 GLU 65 -7.188 1.458 3.581 356 H CYS 66 H CYS 66 -5.038 4.293 5.529 357 HA CYS 66 HA CYS 66 -5.863 5.668 7.984 358 HB2 CYS 66 HB3 CYS 66 -3.814 6.930 7.843 359 HB3 CYS 66 HB2 CYS 66 -3.449 5.218 7.757 360 H ASP 67 H ASP 67 -6.369 7.848 7.985 361 HA ASP 67 HA ASP 67 -7.325 8.932 5.417 362 HB2 ASP 67 HB3 ASP 67 -8.391 9.174 8.231 363 HB3 ASP 67 HB2 ASP 67 -8.858 10.315 6.973 364 H ASP 68 H ASP 68 -7.550 11.475 5.601 365 HA ASP 68 HA ASP 68 -4.910 12.520 5.937 366 HB2 ASP 68 HB3 ASP 68 -5.962 14.706 5.240 367 HB3 ASP 68 HB2 ASP 68 -6.171 13.380 4.107 368 H ALA 69 H ALA 69 -7.412 12.127 8.156 369 HA ALA 69 HA ALA 69 -6.644 14.400 9.835 370 HB1 ALA 69 HB1 ALA 69 -8.605 13.839 11.170 371 HB2 ALA 69 HB2 ALA 69 -8.871 12.394 10.195 372 HB3 ALA 69 HB3 ALA 69 -9.030 13.991 9.465 373 H ASN 70 H ASN 70 -5.149 11.690 9.352 374 HA ASN 70 HA ASN 70 -4.930 10.693 12.081 375 HB2 ASN 70 HB3 ASN 70 -5.077 9.316 9.795 376 HB3 ASN 70 HB2 ASN 70 -3.332 9.536 9.843 377 HD21 ASN 70 HD22 ASN 70 -2.142 8.570 11.490 378 HD22 ASN 70 HD21 ASN 70 -2.785 7.294 12.460 379 H LYS 71 H LYS 71 -2.813 10.303 12.984 380 HA LYS 71 HA LYS 71 -1.039 12.578 12.660 381 HB2 LYS 71 HB3 LYS 71 -1.949 11.345 14.866 382 HB3 LYS 71 HB2 LYS 71 -0.454 10.449 14.647 383 HG2 LYS 71 HG3 LYS 71 0.833 12.490 14.772 384 HG3 LYS 71 HG2 LYS 71 -0.644 13.449 14.865 385 HD2 LYS 71 HD3 LYS 71 -1.211 12.415 16.987 386 HD3 LYS 71 HD2 LYS 71 0.204 11.368 16.880 387 HE2 LYS 71 HE3 LYS 71 0.453 14.362 16.854 388 HE3 LYS 71 HE2 LYS 71 0.364 13.460 18.365 389 HZ1 LYS 71 HZ1 LYS 71 2.651 13.869 17.717 390 HZ2 LYS 71 HZ2 LYS 71 2.408 13.082 16.240 391 HZ3 LYS 71 HZ3 LYS 71 2.322 12.208 17.685 392 HA PRO 72 HA PRO 72 1.986 10.232 10.242 393 HB2 PRO 72 HB3 PRO 72 4.082 12.056 11.213 394 HB3 PRO 72 HB2 PRO 72 3.484 11.819 9.566 395 HG2 PRO 72 HG3 PRO 72 2.953 14.069 10.899 396 HG3 PRO 72 HG2 PRO 72 1.756 13.331 9.814 397 HD2 PRO 72 HD3 PRO 72 1.919 13.183 12.808 398 HD3 PRO 72 HD2 PRO 72 0.511 13.495 11.770 399 H VAL 73 H VAL 73 3.086 8.449 10.647 400 HA VAL 73 HA VAL 73 4.323 8.084 13.283 401 HB VAL 73 HB VAL 73 3.304 5.909 11.428 402 HG11 VAL 73 HG11 VAL 73 5.136 5.097 12.827 403 HG12 VAL 73 HG12 VAL 73 3.599 4.395 13.335 404 HG13 VAL 73 HG13 VAL 73 4.319 5.708 14.266 405 HG21 VAL 73 HG21 VAL 73 2.121 6.981 13.989 406 HG22 VAL 73 HG22 VAL 73 1.519 5.595 13.080 407 HG23 VAL 73 HG23 VAL 73 1.467 7.206 12.367 Start of MODEL 9 1 H CYS 18 H CYS 18 18.358 1.772 -0.558 2 HA CYS 18 HA CYS 18 15.521 1.649 -0.808 3 HB2 CYS 18 HB3 CYS 18 17.033 0.987 -3.341 4 HB3 CYS 18 HB2 CYS 18 15.298 1.092 -3.105 5 H GLN 19 H GLN 19 14.968 -0.327 -0.305 6 HA GLN 19 HA GLN 19 16.857 -2.491 -0.716 7 HB2 GLN 19 HB3 GLN 19 15.926 -3.365 1.582 8 HB3 GLN 19 HB2 GLN 19 17.196 -2.147 1.523 9 HG2 GLN 19 HG3 GLN 19 15.959 -1.051 3.015 10 HG3 GLN 19 HG2 GLN 19 15.000 -0.570 1.618 11 HE21 GLN 19 HE22 GLN 19 12.978 -1.443 1.330 12 HE22 GLN 19 HE21 GLN 19 12.183 -2.386 2.536 13 H LEU 20 H LEU 20 16.000 -3.606 -2.192 14 HA LEU 20 HA LEU 20 13.149 -3.961 -2.443 15 HB2 LEU 20 HB3 LEU 20 14.756 -3.270 -4.333 16 HB3 LEU 20 HB2 LEU 20 15.228 -4.948 -4.384 17 HG LEU 20 HG LEU 20 13.512 -4.086 -6.114 18 HD11 LEU 20 HD11 LEU 20 14.061 -6.424 -5.886 19 HD12 LEU 20 HD12 LEU 20 12.332 -6.223 -6.169 20 HD13 LEU 20 HD13 LEU 20 12.923 -6.587 -4.549 21 HD21 LEU 20 HD21 LEU 20 12.051 -2.999 -4.345 22 HD22 LEU 20 HD22 LEU 20 11.506 -4.629 -3.940 23 HD23 LEU 20 HD23 LEU 20 11.231 -3.982 -5.558 24 H PHE 21 H PHE 21 12.496 -5.365 -1.085 25 HA PHE 21 HA PHE 21 13.104 -8.172 -1.576 26 HB2 PHE 21 HB3 PHE 21 13.154 -8.780 0.754 27 HB3 PHE 21 HB2 PHE 21 14.299 -7.474 0.532 28 HD1 PHE 21 HD1 PHE 21 13.707 -5.175 1.374 29 HD2 PHE 21 HD2 PHE 21 11.369 -8.618 2.276 30 HE1 PHE 21 HE1 PHE 21 12.676 -3.982 3.263 31 HE2 PHE 21 HE2 PHE 21 10.334 -7.426 4.161 32 HZ PHE 21 HZ PHE 21 10.986 -5.106 4.655 33 H CYS 22 H CYS 22 11.328 -8.746 -2.586 34 HA CYS 22 HA CYS 22 8.757 -7.644 -1.748 35 HB2 CYS 22 HB3 CYS 22 9.539 -9.025 -4.308 36 HB3 CYS 22 HB2 CYS 22 7.940 -8.377 -3.955 37 HA PRO 23 HA PRO 23 7.787 -11.888 -0.269 38 HB2 PRO 23 HB3 PRO 23 6.164 -10.709 1.793 39 HB3 PRO 23 HB2 PRO 23 7.708 -11.546 1.987 40 HG2 PRO 23 HG3 PRO 23 7.354 -8.873 2.485 41 HG3 PRO 23 HG2 PRO 23 8.908 -9.609 2.050 42 HD2 PRO 23 HD3 PRO 23 6.979 -8.114 0.308 43 HD3 PRO 23 HD2 PRO 23 8.756 -8.045 0.355 44 H MET 24 H MET 24 5.885 -13.068 -0.692 45 HA MET 24 HA MET 24 3.707 -11.519 -1.899 46 HB2 MET 24 HB3 MET 24 5.035 -13.657 -2.884 47 HB3 MET 24 HB2 MET 24 3.687 -14.476 -2.107 48 HG2 MET 24 HG3 MET 24 2.116 -13.124 -3.405 49 HG3 MET 24 HG2 MET 24 3.466 -12.299 -4.180 50 HE1 MET 24 HE1 MET 24 2.217 -16.015 -3.432 51 HE2 MET 24 HE2 MET 24 1.863 -16.493 -5.093 52 HE3 MET 24 HE3 MET 24 0.989 -15.151 -4.355 53 H ILE 25 H ILE 25 2.561 -10.823 -0.150 54 HA ILE 25 HA ILE 25 0.730 -12.757 1.069 55 HB ILE 25 HB ILE 25 2.389 -10.913 2.855 56 HG12 ILE 25 HG13 ILE 25 2.647 -13.397 3.960 57 HG13 ILE 25 HG12 ILE 25 2.615 -13.796 2.246 58 HG21 ILE 25 HG21 ILE 25 0.092 -11.034 3.640 59 HG22 ILE 25 HG22 ILE 25 1.162 -11.900 4.743 60 HG23 ILE 25 HG23 ILE 25 0.154 -12.798 3.608 61 HD11 ILE 25 HD11 ILE 25 4.886 -13.495 3.133 62 HD12 ILE 25 HD12 ILE 25 4.495 -11.818 3.517 63 HD13 ILE 25 HD13 ILE 25 4.502 -12.360 1.839 64 H TYR 26 H TYR 26 -1.318 -11.804 1.169 65 HA TYR 26 HA TYR 26 -1.466 -9.090 0.172 66 HB2 TYR 26 HB3 TYR 26 -3.952 -9.476 0.125 67 HB3 TYR 26 HB2 TYR 26 -3.008 -10.585 -0.855 68 HD1 TYR 26 HD2 TYR 26 -2.838 -12.951 -0.231 69 HD2 TYR 26 HD1 TYR 26 -5.182 -10.236 2.045 70 HE1 TYR 26 HE2 TYR 26 -3.971 -14.852 0.847 71 HE2 TYR 26 HE1 TYR 26 -6.334 -12.128 3.131 72 HH TYR 26 HH TYR 26 -6.804 -14.501 2.680 73 H ALA 27 H ALA 27 -0.894 -7.690 1.584 74 HA ALA 27 HA ALA 27 -2.532 -7.267 3.976 75 HB1 ALA 27 HB1 ALA 27 -0.568 -6.558 5.250 76 HB2 ALA 27 HB2 ALA 27 0.470 -6.950 3.879 77 HB3 ALA 27 HB3 ALA 27 -0.406 -8.231 4.716 78 HA PRO 28 HA PRO 28 -2.550 -3.179 1.942 79 HB2 PRO 28 HB3 PRO 28 -4.372 -2.169 3.945 80 HB3 PRO 28 HB2 PRO 28 -4.723 -2.586 2.265 81 HG2 PRO 28 HG3 PRO 28 -5.727 -3.980 4.383 82 HG3 PRO 28 HG2 PRO 28 -5.442 -4.693 2.783 83 HD2 PRO 28 HD3 PRO 28 -3.746 -4.867 5.250 84 HD3 PRO 28 HD2 PRO 28 -4.173 -6.131 4.076 85 H ILE 29 H ILE 29 -1.041 -1.617 2.206 86 HA ILE 29 HA ILE 29 -0.395 -0.732 4.955 87 HB ILE 29 HB ILE 29 1.584 -0.830 2.655 88 HG12 ILE 29 HG13 ILE 29 2.548 -2.626 4.463 89 HG13 ILE 29 HG12 ILE 29 0.815 -2.894 4.617 90 HG21 ILE 29 HG21 ILE 29 2.135 0.856 4.331 91 HG22 ILE 29 HG22 ILE 29 3.298 -0.470 4.362 92 HG23 ILE 29 HG23 ILE 29 2.050 -0.363 5.602 93 HD11 ILE 29 HD11 ILE 29 0.711 -3.220 2.164 94 HD12 ILE 29 HD12 ILE 29 1.691 -4.416 3.008 95 HD13 ILE 29 HD13 ILE 29 2.470 -3.105 2.120 96 H CYS 30 H CYS 30 -0.263 1.401 5.395 97 HA CYS 30 HA CYS 30 -0.979 3.286 3.240 98 HB2 CYS 30 HB3 CYS 30 -2.463 3.308 5.170 99 HB3 CYS 30 HB2 CYS 30 -1.103 3.579 6.250 100 H ALA 31 H ALA 31 0.285 5.041 2.759 101 HA ALA 31 HA ALA 31 2.757 5.491 4.247 102 HB1 ALA 31 HB1 ALA 31 3.307 3.978 2.348 103 HB2 ALA 31 HB2 ALA 31 4.120 5.538 2.247 104 HB3 ALA 31 HB3 ALA 31 2.715 5.210 1.232 105 H THR 32 H THR 32 3.078 7.636 4.567 106 HA THR 32 HA THR 32 1.575 9.527 2.886 107 HB THR 32 HB THR 32 0.448 9.415 5.046 108 HG1 THR 32 HG1 THR 32 1.278 11.582 3.889 109 HG21 THR 32 HG21 THR 32 1.407 9.874 7.145 110 HG22 THR 32 HG22 THR 32 2.874 10.539 6.428 111 HG23 THR 32 HG23 THR 32 2.576 8.805 6.371 112 H ASP 33 H ASP 33 2.595 11.196 2.088 113 HA ASP 33 HA ASP 33 5.384 11.714 2.945 114 HB2 ASP 33 HB3 ASP 33 4.728 11.074 0.495 115 HB3 ASP 33 HB2 ASP 33 4.202 12.748 0.376 116 H GLY 34 H GLY 34 2.909 12.742 4.252 117 HA2 GLY 34 HA3 GLY 34 2.714 14.786 5.499 118 HA3 GLY 34 HA2 GLY 34 3.540 15.631 4.192 119 H VAL 35 H VAL 35 2.124 14.434 2.135 120 HA VAL 35 HA VAL 35 -0.368 15.915 2.068 121 HB VAL 35 HB VAL 35 0.755 16.317 0.079 122 HG11 VAL 35 HG11 VAL 35 1.983 14.689 -1.288 123 HG12 VAL 35 HG12 VAL 35 1.596 13.431 -0.112 124 HG13 VAL 35 HG13 VAL 35 2.618 14.791 0.356 125 HG21 VAL 35 HG21 VAL 35 -1.389 15.713 -0.665 126 HG22 VAL 35 HG22 VAL 35 -1.028 13.992 -0.525 127 HG23 VAL 35 HG23 VAL 35 -0.255 14.957 -1.787 128 H SER 36 H SER 36 -2.244 14.700 0.891 129 HA SER 36 HA SER 36 -3.211 12.675 2.570 130 HB2 SER 36 HB3 SER 36 -3.993 13.218 -0.315 131 HB3 SER 36 HB2 SER 36 -4.932 12.262 0.832 132 HG SER 36 HG SER 36 -5.179 14.786 0.451 133 H GLN 37 H GLN 37 -2.881 10.607 2.716 134 HA GLN 37 HA GLN 37 -0.709 9.422 1.277 135 HB2 GLN 37 HB3 GLN 37 -1.370 7.466 2.919 136 HB3 GLN 37 HB2 GLN 37 -0.477 8.859 3.450 137 HG2 GLN 37 HG3 GLN 37 -3.423 8.934 3.656 138 HG3 GLN 37 HG2 GLN 37 -2.541 7.913 4.777 139 HE21 GLN 37 HE22 GLN 37 -1.369 10.973 3.486 140 HE22 GLN 37 HE21 GLN 37 -1.417 11.839 4.968 141 H ARG 38 H ARG 38 -0.690 7.196 0.676 142 HA ARG 38 HA ARG 38 -3.120 6.383 -0.785 143 HB2 ARG 38 HB3 ARG 38 -1.042 7.368 -2.071 144 HB3 ARG 38 HB2 ARG 38 -0.387 5.756 -1.837 145 HG2 ARG 38 HG3 ARG 38 -2.425 4.853 -2.916 146 HG3 ARG 38 HG2 ARG 38 -2.911 6.505 -3.288 147 HD2 ARG 38 HD3 ARG 38 -0.834 6.815 -4.559 148 HD3 ARG 38 HD2 ARG 38 -0.374 5.151 -4.206 149 HE ARG 38 HE ARG 38 -2.870 5.048 -5.402 150 HH11 ARG 38 HH12 ARG 38 0.353 6.091 -6.356 151 HH12 ARG 38 HH11 ARG 38 0.091 5.739 -8.031 152 HH21 ARG 38 HH21 ARG 38 -3.185 4.606 -7.601 153 HH22 ARG 38 HH22 ARG 38 -1.907 4.901 -8.733 154 H THR 39 H THR 39 -3.376 4.139 -1.157 155 HA THR 39 HA THR 39 -2.023 2.431 0.828 156 HB THR 39 HB THR 39 -4.559 1.444 -0.346 157 HG1 THR 39 HG1 THR 39 -5.506 3.328 0.041 158 HG21 THR 39 HG21 THR 39 -4.973 0.741 1.959 159 HG22 THR 39 HG22 THR 39 -3.551 1.634 2.497 160 HG23 THR 39 HG23 THR 39 -3.365 0.239 1.434 161 H PHE 40 H PHE 40 -0.738 0.897 0.084 162 HA PHE 40 HA PHE 40 -0.832 0.141 -2.753 163 HB2 PHE 40 HB3 PHE 40 1.369 -0.235 -0.693 164 HB3 PHE 40 HB2 PHE 40 1.456 -0.750 -2.360 165 HD1 PHE 40 HD1 PHE 40 0.834 2.398 -0.405 166 HD2 PHE 40 HD2 PHE 40 2.567 0.601 -3.862 167 HE1 PHE 40 HE1 PHE 40 1.803 4.564 -1.049 168 HE2 PHE 40 HE2 PHE 40 3.540 2.769 -4.501 169 HZ PHE 40 HZ PHE 40 3.150 4.753 -3.098 170 H SER 41 H SER 41 -0.303 -2.169 -3.256 171 HA SER 41 HA SER 41 -2.034 -3.939 -1.811 172 HB2 SER 41 HB3 SER 41 -1.620 -3.957 -4.321 173 HB3 SER 41 HB2 SER 41 -0.068 -4.714 -3.972 174 HG SER 41 HG SER 41 -1.789 -6.213 -4.431 175 H ASN 42 H ASN 42 1.398 -3.293 -1.842 176 HA ASN 42 HA ASN 42 1.898 -4.787 0.525 177 HB2 ASN 42 HB3 ASN 42 2.547 -6.119 -2.065 178 HB3 ASN 42 HB2 ASN 42 3.857 -6.097 -0.894 179 HD21 ASN 42 HD22 ASN 42 0.927 -7.473 -1.854 180 HD22 ASN 42 HD21 ASN 42 0.737 -8.576 -0.540 181 HA PRO 43 HA PRO 43 5.340 -1.900 0.815 182 HB2 PRO 43 HB3 PRO 43 7.312 -4.029 1.428 183 HB3 PRO 43 HB2 PRO 43 6.841 -2.623 2.395 184 HG2 PRO 43 HG3 PRO 43 6.050 -5.037 3.130 185 HG3 PRO 43 HG2 PRO 43 4.934 -3.657 3.232 186 HD2 PRO 43 HD3 PRO 43 5.090 -5.791 1.126 187 HD3 PRO 43 HD2 PRO 43 3.664 -5.147 1.965 188 H CYS 44 H CYS 44 5.812 -4.667 -1.247 189 HA CYS 44 HA CYS 44 8.249 -4.040 -2.500 190 HB2 CYS 44 HB3 CYS 44 7.178 -6.230 -2.704 191 HB3 CYS 44 HB2 CYS 44 5.840 -5.516 -3.589 192 H ASP 45 H ASP 45 4.911 -3.177 -3.402 193 HA ASP 45 HA ASP 45 5.608 -1.720 -5.748 194 HB2 ASP 45 HB3 ASP 45 3.084 -1.824 -4.101 195 HB3 ASP 45 HB2 ASP 45 3.233 -0.850 -5.559 196 H LEU 46 H LEU 46 5.344 -0.828 -2.350 197 HA LEU 46 HA LEU 46 5.217 1.999 -2.771 198 HB2 LEU 46 HB3 LEU 46 4.244 0.893 -0.862 199 HB3 LEU 46 HB2 LEU 46 5.769 0.191 -0.424 200 HG LEU 46 HG LEU 46 4.881 2.036 0.988 201 HD11 LEU 46 HD11 LEU 46 7.090 3.104 1.381 202 HD12 LEU 46 HD12 LEU 46 7.672 2.164 0.008 203 HD13 LEU 46 HD13 LEU 46 7.046 1.341 1.436 204 HD21 LEU 46 HD21 LEU 46 4.151 3.640 -0.617 205 HD22 LEU 46 HD22 LEU 46 5.787 3.775 -1.261 206 HD23 LEU 46 HD23 LEU 46 5.428 4.356 0.367 207 H LYS 47 H LYS 47 7.720 -0.104 -1.329 208 HA LYS 47 HA LYS 47 9.762 1.713 -1.049 209 HB2 LYS 47 HB3 LYS 47 9.699 -1.253 -1.443 210 HB3 LYS 47 HB2 LYS 47 11.228 -0.414 -1.299 211 HG2 LYS 47 HG3 LYS 47 10.977 -0.060 0.917 212 HG3 LYS 47 HG2 LYS 47 9.255 0.287 0.741 213 HD2 LYS 47 HD3 LYS 47 8.729 -2.048 0.635 214 HD3 LYS 47 HD2 LYS 47 10.437 -2.473 0.601 215 HE2 LYS 47 HE3 LYS 47 10.681 -1.463 2.856 216 HE3 LYS 47 HE2 LYS 47 8.943 -1.178 2.877 217 HZ1 LYS 47 HZ1 LYS 47 8.585 -3.559 2.701 218 HZ2 LYS 47 HZ2 LYS 47 9.522 -3.199 4.062 219 HZ3 LYS 47 HZ3 LYS 47 10.255 -3.835 2.677 220 H VAL 48 H VAL 48 8.904 -0.099 -3.906 221 HA VAL 48 HA VAL 48 11.130 0.682 -5.517 222 HB VAL 48 HB VAL 48 9.254 -1.241 -5.704 223 HG11 VAL 48 HG11 VAL 48 7.444 0.212 -6.414 224 HG12 VAL 48 HG12 VAL 48 7.853 -0.968 -7.659 225 HG13 VAL 48 HG13 VAL 48 8.387 0.705 -7.821 226 HG21 VAL 48 HG21 VAL 48 10.897 -0.123 -7.957 227 HG22 VAL 48 HG22 VAL 48 10.143 -1.717 -7.962 228 HG23 VAL 48 HG23 VAL 48 11.393 -1.337 -6.777 229 H TYR 49 H TYR 49 7.961 1.978 -4.871 230 HA TYR 49 HA TYR 49 7.743 3.833 -7.006 231 HB2 TYR 49 HB3 TYR 49 5.984 2.908 -5.279 232 HB3 TYR 49 HB2 TYR 49 6.435 4.335 -4.356 233 HD1 TYR 49 HD1 TYR 49 5.907 6.584 -5.220 234 HD2 TYR 49 HD2 TYR 49 4.694 3.086 -7.319 235 HE1 TYR 49 HE1 TYR 49 4.338 7.931 -6.547 236 HE2 TYR 49 HE2 TYR 49 3.124 4.427 -8.654 237 HH TYR 49 HH TYR 49 3.198 7.814 -8.725 238 H ASN 50 H ASN 50 8.822 4.284 -3.655 239 HA ASN 50 HA ASN 50 9.335 7.089 -3.908 240 HB2 ASN 50 HB3 ASN 50 10.752 6.348 -1.681 241 HB3 ASN 50 HB2 ASN 50 9.059 6.775 -1.702 242 HD21 ASN 50 HD22 ASN 50 7.509 5.207 -1.442 243 HD22 ASN 50 HD21 ASN 50 7.891 3.582 -1.070 244 H CYS 51 H CYS 51 11.289 4.260 -4.309 245 HA CYS 51 HA CYS 51 13.861 5.323 -4.009 246 HB2 CYS 51 HB3 CYS 51 13.300 2.920 -4.065 247 HB3 CYS 51 HB2 CYS 51 13.003 3.041 -5.786 248 H TRP 52 H TRP 52 12.148 4.720 -7.114 249 HA TRP 52 HA TRP 52 14.132 6.416 -8.423 250 HB2 TRP 52 HB3 TRP 52 13.334 5.485 -10.530 251 HB3 TRP 52 HB2 TRP 52 13.886 4.296 -9.385 252 HD1 TRP 52 HD1 TRP 52 12.131 2.478 -8.553 253 HE1 TRP 52 HE1 TRP 52 9.850 1.755 -9.522 254 HE3 TRP 52 HE3 TRP 52 11.277 6.472 -11.560 255 HZ2 TRP 52 HZ2 TRP 52 7.935 2.772 -11.358 256 HZ3 TRP 52 HZ3 TRP 52 9.206 6.543 -12.908 257 HH2 TRP 52 HH2 TRP 52 7.567 4.732 -12.799 258 H ASN 53 H ASN 53 11.059 6.858 -7.301 259 HA ASN 53 HA ASN 53 10.472 9.069 -9.111 260 HB2 ASN 53 HB3 ASN 53 8.738 7.755 -7.009 261 HB3 ASN 53 HB2 ASN 53 8.248 9.128 -7.982 262 HD21 ASN 53 HD22 ASN 53 9.704 5.931 -8.477 263 HD22 ASN 53 HD21 ASN 53 8.711 5.500 -9.819 264 HA PRO 54 HA PRO 54 12.313 11.420 -5.521 265 HB2 PRO 54 HB3 PRO 54 13.276 13.488 -6.977 266 HB3 PRO 54 HB2 PRO 54 14.136 11.942 -6.860 267 HG2 PRO 54 HG3 PRO 54 12.293 12.892 -9.034 268 HG3 PRO 54 HG2 PRO 54 13.905 12.177 -9.186 269 HD2 PRO 54 HD3 PRO 54 11.728 10.682 -9.533 270 HD3 PRO 54 HD2 PRO 54 13.153 10.031 -8.702 271 H ASP 55 H ASP 55 10.368 12.696 -8.198 272 HA ASP 55 HA ASP 55 9.471 15.053 -6.864 273 HB2 ASP 55 HB3 ASP 55 9.552 14.326 -9.434 274 HB3 ASP 55 HB2 ASP 55 7.871 13.927 -9.100 275 H ASN 56 H ASN 56 8.121 11.776 -7.058 276 HA ASN 56 HA ASN 56 5.950 12.652 -5.279 277 HB2 ASN 56 HB3 ASN 56 5.790 11.004 -7.774 278 HB3 ASN 56 HB2 ASN 56 4.645 10.710 -6.476 279 HD21 ASN 56 HD22 ASN 56 3.150 12.307 -5.934 280 HD22 ASN 56 HD21 ASN 56 2.796 13.624 -6.995 281 HA PRO 57 HA PRO 57 8.124 8.903 -3.415 282 HB2 PRO 57 HB3 PRO 57 9.043 10.470 -1.181 283 HB3 PRO 57 HB2 PRO 57 10.017 9.680 -2.425 284 HG2 PRO 57 HG3 PRO 57 9.843 12.397 -2.155 285 HG3 PRO 57 HG2 PRO 57 10.206 11.575 -3.686 286 HD2 PRO 57 HD3 PRO 57 7.591 12.686 -2.724 287 HD3 PRO 57 HD2 PRO 57 8.338 12.795 -4.335 288 H TYR 58 H TYR 58 7.526 7.686 -1.537 289 HA TYR 58 HA TYR 58 5.519 8.886 0.242 290 HB2 TYR 58 HB3 TYR 58 5.232 6.317 -1.316 291 HB3 TYR 58 HB2 TYR 58 4.314 6.622 0.152 292 HD1 TYR 58 HD2 TYR 58 4.765 7.566 -3.366 293 HD2 TYR 58 HD1 TYR 58 2.506 8.249 0.178 294 HE1 TYR 58 HE2 TYR 58 3.065 8.755 -4.685 295 HE2 TYR 58 HE1 TYR 58 0.800 9.437 -1.135 296 HH TYR 58 HH TYR 58 0.622 10.638 -3.268 297 H LYS 59 H LYS 59 5.629 8.231 2.360 298 HA LYS 59 HA LYS 59 7.783 6.337 3.021 299 HB2 LYS 59 HB3 LYS 59 6.883 8.849 4.428 300 HB3 LYS 59 HB2 LYS 59 7.874 7.636 5.216 301 HG2 LYS 59 HG3 LYS 59 8.846 8.651 2.612 302 HG3 LYS 59 HG2 LYS 59 8.908 9.764 3.979 303 HD2 LYS 59 HD3 LYS 59 10.209 8.142 5.257 304 HD3 LYS 59 HD2 LYS 59 10.115 6.995 3.919 305 HE2 LYS 59 HE3 LYS 59 11.342 8.552 2.493 306 HE3 LYS 59 HE2 LYS 59 11.418 9.714 3.817 307 HZ1 LYS 59 HZ1 LYS 59 12.711 8.119 5.092 308 HZ2 LYS 59 HZ2 LYS 59 13.472 8.467 3.623 309 HZ3 LYS 59 HZ3 LYS 59 12.640 7.008 3.818 310 H GLU 60 H GLU 60 7.401 4.747 4.504 311 HA GLU 60 HA GLU 60 4.705 3.902 4.842 312 HB2 GLU 60 HB3 GLU 60 7.141 2.652 4.762 313 HB3 GLU 60 HB2 GLU 60 6.716 2.515 6.462 314 HG2 GLU 60 HG3 GLU 60 4.595 1.469 5.851 315 HG3 GLU 60 HG2 GLU 60 5.016 1.611 4.146 316 H VAL 61 H VAL 61 3.335 4.507 6.284 317 HA VAL 61 HA VAL 61 4.084 5.628 8.858 318 HB VAL 61 HB VAL 61 1.231 5.351 8.560 319 HG11 VAL 61 HG11 VAL 61 1.191 7.692 8.979 320 HG12 VAL 61 HG12 VAL 61 2.877 7.864 8.498 321 HG13 VAL 61 HG13 VAL 61 2.465 6.981 9.966 322 HG21 VAL 61 HG21 VAL 61 1.383 5.343 6.209 323 HG22 VAL 61 HG22 VAL 61 2.643 6.574 6.211 324 HG23 VAL 61 HG23 VAL 61 0.992 7.006 6.652 325 H LYS 62 H LYS 62 2.108 2.943 7.596 326 HA LYS 62 HA LYS 62 2.694 1.152 9.731 327 HB2 LYS 62 HB3 LYS 62 0.942 3.008 10.628 328 HB3 LYS 62 HB2 LYS 62 -0.194 1.904 9.860 329 HG2 LYS 62 HG3 LYS 62 1.722 0.564 11.635 330 HG3 LYS 62 HG2 LYS 62 0.692 1.735 12.457 331 HD2 LYS 62 HD3 LYS 62 -1.292 0.638 11.568 332 HD3 LYS 62 HD2 LYS 62 -0.283 -0.505 10.680 333 HE2 LYS 62 HE3 LYS 62 -0.104 -0.221 13.667 334 HE3 LYS 62 HE2 LYS 62 -1.291 -1.280 12.909 335 HZ1 LYS 62 HZ1 LYS 62 0.520 -2.475 11.835 336 HZ2 LYS 62 HZ2 LYS 62 0.705 -2.490 13.516 337 HZ3 LYS 62 HZ3 LYS 62 1.657 -1.460 12.569 338 H VAL 63 H VAL 63 1.297 -0.874 9.625 339 HA VAL 63 HA VAL 63 0.369 -1.308 6.872 340 HB VAL 63 HB VAL 63 0.910 -3.397 9.018 341 HG11 VAL 63 HG11 VAL 63 1.117 -4.455 6.380 342 HG12 VAL 63 HG12 VAL 63 -0.425 -3.607 6.506 343 HG13 VAL 63 HG13 VAL 63 -0.032 -4.895 7.644 344 HG21 VAL 63 HG21 VAL 63 2.915 -3.925 7.547 345 HG22 VAL 63 HG22 VAL 63 3.009 -2.451 8.511 346 HG23 VAL 63 HG23 VAL 63 2.636 -2.356 6.792 347 H GLY 64 H GLY 64 -1.614 -0.596 6.752 348 HA2 GLY 64 HA3 GLY 64 -3.829 -1.970 7.733 349 HA3 GLY 64 HA2 GLY 64 -3.569 -0.598 8.802 350 H GLU 65 H GLU 65 -5.697 0.047 8.046 351 HA GLU 65 HA GLU 65 -5.579 1.466 5.469 352 HB2 GLU 65 HB3 GLU 65 -7.868 0.195 6.942 353 HB3 GLU 65 HB2 GLU 65 -8.179 1.571 5.890 354 HG2 GLU 65 HG3 GLU 65 -8.509 -0.111 4.396 355 HG3 GLU 65 HG2 GLU 65 -6.773 0.121 4.182 356 H CYS 66 H CYS 66 -4.946 3.459 5.806 357 HA CYS 66 HA CYS 66 -5.518 4.834 8.302 358 HB2 CYS 66 HB3 CYS 66 -4.031 6.577 7.401 359 HB3 CYS 66 HB2 CYS 66 -3.290 4.983 7.366 360 H ASP 67 H ASP 67 -6.329 6.962 8.454 361 HA ASP 67 HA ASP 67 -8.352 7.654 6.432 362 HB2 ASP 67 HB3 ASP 67 -9.549 8.817 8.334 363 HB3 ASP 67 HB2 ASP 67 -9.472 7.069 8.473 364 H ASP 68 H ASP 68 -8.941 10.155 6.656 365 HA ASP 68 HA ASP 68 -6.598 11.609 5.889 366 HB2 ASP 68 HB3 ASP 68 -9.499 12.344 6.181 367 HB3 ASP 68 HB2 ASP 68 -8.284 13.558 5.796 368 H ALA 69 H ALA 69 -7.866 10.991 8.935 369 HA ALA 69 HA ALA 69 -6.890 13.497 10.117 370 HB1 ALA 69 HB1 ALA 69 -8.128 12.852 12.109 371 HB2 ALA 69 HB2 ALA 69 -8.539 11.304 11.373 372 HB3 ALA 69 HB3 ALA 69 -9.172 12.800 10.689 373 H ASN 70 H ASN 70 -5.334 10.936 9.200 374 HA ASN 70 HA ASN 70 -4.059 10.063 11.649 375 HB2 ASN 70 HB3 ASN 70 -4.644 8.721 9.398 376 HB3 ASN 70 HB2 ASN 70 -3.009 9.233 8.996 377 HD21 ASN 70 HD22 ASN 70 -4.973 7.277 11.074 378 HD22 ASN 70 HD21 ASN 70 -3.687 6.351 11.762 379 H LYS 71 H LYS 71 -1.965 10.377 12.191 380 HA LYS 71 HA LYS 71 -0.608 12.675 10.989 381 HB2 LYS 71 HB3 LYS 71 -1.019 11.781 13.660 382 HB3 LYS 71 HB2 LYS 71 0.710 11.761 13.351 383 HG2 LYS 71 HG3 LYS 71 0.573 14.110 12.608 384 HG3 LYS 71 HG2 LYS 71 -1.140 14.113 13.031 385 HD2 LYS 71 HD3 LYS 71 -0.581 13.622 15.353 386 HD3 LYS 71 HD2 LYS 71 1.133 13.567 14.940 387 HE2 LYS 71 HE3 LYS 71 1.033 15.920 14.255 388 HE3 LYS 71 HE2 LYS 71 -0.673 15.969 14.693 389 HZ1 LYS 71 HZ1 LYS 71 0.692 16.883 16.449 390 HZ2 LYS 71 HZ2 LYS 71 1.587 15.452 16.550 391 HZ3 LYS 71 HZ3 LYS 71 -0.048 15.457 16.982 392 HA PRO 72 HA PRO 72 2.716 10.149 9.306 393 HB2 PRO 72 HB3 PRO 72 4.768 12.118 10.019 394 HB3 PRO 72 HB2 PRO 72 4.171 11.663 8.419 395 HG2 PRO 72 HG3 PRO 72 3.636 14.070 9.469 396 HG3 PRO 72 HG2 PRO 72 2.463 13.210 8.449 397 HD2 PRO 72 HD3 PRO 72 2.554 13.412 11.444 398 HD3 PRO 72 HD2 PRO 72 1.172 13.601 10.344 399 H VAL 73 H VAL 73 3.785 8.460 10.038 400 HA VAL 73 HA VAL 73 5.048 8.565 12.690 401 HB VAL 73 HB VAL 73 4.082 6.020 11.366 402 HG11 VAL 73 HG11 VAL 73 4.102 5.129 13.657 403 HG12 VAL 73 HG12 VAL 73 4.722 6.672 14.246 404 HG13 VAL 73 HG13 VAL 73 5.700 5.688 13.156 405 HG21 VAL 73 HG21 VAL 73 2.497 7.153 13.593 406 HG22 VAL 73 HG22 VAL 73 1.963 6.248 12.177 407 HG23 VAL 73 HG23 VAL 73 2.335 7.968 12.039 Start of MODEL 10 1 H CYS 18 H CYS 18 18.196 1.072 -0.761 2 HA CYS 18 HA CYS 18 15.377 0.872 -1.144 3 HB2 CYS 18 HB3 CYS 18 16.982 0.549 -3.679 4 HB3 CYS 18 HB2 CYS 18 15.241 0.641 -3.492 5 H GLN 19 H GLN 19 14.897 -1.173 -0.873 6 HA GLN 19 HA GLN 19 16.860 -3.202 -1.541 7 HB2 GLN 19 HB3 GLN 19 16.045 -4.398 0.624 8 HB3 GLN 19 HB2 GLN 19 17.202 -3.082 0.738 9 HG2 GLN 19 HG3 GLN 19 15.881 -2.311 2.357 10 HG3 GLN 19 HG2 GLN 19 14.877 -1.730 1.031 11 HE21 GLN 19 HE22 GLN 19 12.912 -2.674 0.676 12 HE22 GLN 19 HE21 GLN 19 12.224 -3.867 1.715 13 H LEU 20 H LEU 20 16.006 -4.157 -3.153 14 HA LEU 20 HA LEU 20 13.195 -4.540 -3.484 15 HB2 LEU 20 HB3 LEU 20 14.703 -3.903 -5.367 16 HB3 LEU 20 HB2 LEU 20 15.446 -5.480 -5.271 17 HG LEU 20 HG LEU 20 13.707 -5.037 -7.140 18 HD11 LEU 20 HD11 LEU 20 12.895 -7.346 -7.075 19 HD12 LEU 20 HD12 LEU 20 13.450 -7.489 -5.405 20 HD13 LEU 20 HD13 LEU 20 14.617 -7.238 -6.706 21 HD21 LEU 20 HD21 LEU 20 11.744 -5.696 -4.945 22 HD22 LEU 20 HD22 LEU 20 11.395 -5.376 -6.645 23 HD23 LEU 20 HD23 LEU 20 11.978 -4.076 -5.606 24 H PHE 21 H PHE 21 12.436 -5.892 -2.131 25 HA PHE 21 HA PHE 21 12.985 -8.733 -2.509 26 HB2 PHE 21 HB3 PHE 21 12.681 -7.282 0.130 27 HB3 PHE 21 HB2 PHE 21 12.461 -9.004 -0.050 28 HD1 PHE 21 HD2 PHE 21 14.875 -6.278 -0.047 29 HD2 PHE 21 HD1 PHE 21 14.359 -10.488 -0.396 30 HE1 PHE 21 HE2 PHE 21 17.291 -6.594 0.282 31 HE2 PHE 21 HE1 PHE 21 16.775 -10.814 -0.065 32 HZ PHE 21 HZ PHE 21 18.245 -8.867 0.272 33 H CYS 22 H CYS 22 11.181 -9.124 -3.711 34 HA CYS 22 HA CYS 22 8.605 -8.142 -2.717 35 HB2 CYS 22 HB3 CYS 22 9.677 -8.682 -5.412 36 HB3 CYS 22 HB2 CYS 22 7.981 -9.078 -5.158 37 HA PRO 23 HA PRO 23 7.827 -12.557 -1.824 38 HB2 PRO 23 HB3 PRO 23 6.403 -12.053 0.495 39 HB3 PRO 23 HB2 PRO 23 8.134 -12.365 0.430 40 HG2 PRO 23 HG3 PRO 23 6.803 -9.906 1.107 41 HG3 PRO 23 HG2 PRO 23 8.535 -10.264 1.126 42 HD2 PRO 23 HD3 PRO 23 6.982 -8.790 -0.866 43 HD3 PRO 23 HD2 PRO 23 8.737 -8.877 -0.635 44 H MET 24 H MET 24 5.627 -13.732 -1.495 45 HA MET 24 HA MET 24 3.570 -12.186 -2.924 46 HB2 MET 24 HB3 MET 24 4.238 -15.113 -2.943 47 HB3 MET 24 HB2 MET 24 2.653 -14.553 -3.456 48 HG2 MET 24 HG3 MET 24 3.681 -13.173 -5.179 49 HG3 MET 24 HG2 MET 24 5.282 -13.692 -4.651 50 HE1 MET 24 HE1 MET 24 4.325 -13.900 -7.678 51 HE2 MET 24 HE2 MET 24 4.929 -15.505 -8.092 52 HE3 MET 24 HE3 MET 24 5.909 -14.421 -7.104 53 H ILE 25 H ILE 25 2.551 -11.226 -1.205 54 HA ILE 25 HA ILE 25 0.546 -12.859 0.145 55 HB ILE 25 HB ILE 25 2.142 -10.924 1.873 56 HG12 ILE 25 HG13 ILE 25 2.721 -13.303 3.026 57 HG13 ILE 25 HG12 ILE 25 2.709 -13.783 1.332 58 HG21 ILE 25 HG21 ILE 25 1.022 -12.046 3.746 59 HG22 ILE 25 HG22 ILE 25 0.160 -13.079 2.605 60 HG23 ILE 25 HG23 ILE 25 -0.136 -11.341 2.617 61 HD11 ILE 25 HD11 ILE 25 4.927 -13.234 1.828 62 HD12 ILE 25 HD12 ILE 25 4.459 -11.763 2.683 63 HD13 ILE 25 HD13 ILE 25 4.290 -11.856 0.929 64 H TYR 26 H TYR 26 -1.312 -11.570 0.749 65 HA TYR 26 HA TYR 26 -1.281 -8.902 -0.482 66 HB2 TYR 26 HB3 TYR 26 -2.826 -10.566 -1.437 67 HB3 TYR 26 HB2 TYR 26 -3.700 -10.630 0.079 68 HD1 TYR 26 HD2 TYR 26 -3.018 -8.674 -2.948 69 HD2 TYR 26 HD1 TYR 26 -5.156 -8.769 0.732 70 HE1 TYR 26 HE2 TYR 26 -4.434 -6.820 -3.729 71 HE2 TYR 26 HE1 TYR 26 -6.578 -6.918 -0.043 72 HH TYR 26 HH TYR 26 -6.463 -5.064 -1.672 73 H ALA 27 H ALA 27 -0.675 -7.634 0.977 74 HA ALA 27 HA ALA 27 -2.253 -7.296 3.433 75 HB1 ALA 27 HB1 ALA 27 -0.153 -8.398 4.049 76 HB2 ALA 27 HB2 ALA 27 -0.243 -6.767 4.715 77 HB3 ALA 27 HB3 ALA 27 0.754 -7.086 3.296 78 HA PRO 28 HA PRO 28 -2.121 -3.083 1.697 79 HB2 PRO 28 HB3 PRO 28 -4.091 -2.187 3.579 80 HB3 PRO 28 HB2 PRO 28 -4.326 -2.572 1.871 81 HG2 PRO 28 HG3 PRO 28 -5.419 -4.018 3.945 82 HG3 PRO 28 HG2 PRO 28 -5.138 -4.651 2.312 83 HD2 PRO 28 HD3 PRO 28 -3.502 -5.032 4.789 84 HD3 PRO 28 HD2 PRO 28 -3.891 -6.183 3.494 85 H ILE 29 H ILE 29 -0.747 -1.477 2.193 86 HA ILE 29 HA ILE 29 -0.248 -0.854 5.043 87 HB ILE 29 HB ILE 29 1.708 -0.769 2.723 88 HG12 ILE 29 HG13 ILE 29 2.909 -2.372 4.497 89 HG13 ILE 29 HG12 ILE 29 1.237 -2.693 4.946 90 HG21 ILE 29 HG21 ILE 29 3.378 -0.388 4.701 91 HG22 ILE 29 HG22 ILE 29 1.961 0.286 5.503 92 HG23 ILE 29 HG23 ILE 29 2.523 0.978 3.984 93 HD11 ILE 29 HD11 ILE 29 1.942 -4.333 3.369 94 HD12 ILE 29 HD12 ILE 29 2.510 -3.082 2.259 95 HD13 ILE 29 HD13 ILE 29 0.786 -3.264 2.574 96 H CYS 30 H CYS 30 -0.241 1.254 5.727 97 HA CYS 30 HA CYS 30 -1.122 3.275 3.752 98 HB2 CYS 30 HB3 CYS 30 -2.133 2.582 6.233 99 HB3 CYS 30 HB2 CYS 30 -1.205 4.032 6.586 100 H ALA 31 H ALA 31 0.029 5.062 3.325 101 HA ALA 31 HA ALA 31 2.409 5.759 4.865 102 HB1 ALA 31 HB1 ALA 31 3.820 5.844 2.950 103 HB2 ALA 31 HB2 ALA 31 2.464 5.568 1.856 104 HB3 ALA 31 HB3 ALA 31 3.023 4.272 2.912 105 H THR 32 H THR 32 2.940 7.968 4.767 106 HA THR 32 HA THR 32 1.088 9.670 3.250 107 HB THR 32 HB THR 32 0.393 9.725 5.610 108 HG1 THR 32 HG1 THR 32 0.083 11.627 4.475 109 HG21 THR 32 HG21 THR 32 2.918 11.145 6.377 110 HG22 THR 32 HG22 THR 32 2.833 9.387 6.473 111 HG23 THR 32 HG23 THR 32 1.716 10.377 7.417 112 H ASP 33 H ASP 33 1.910 11.293 2.159 113 HA ASP 33 HA ASP 33 4.732 12.032 2.655 114 HB2 ASP 33 HB3 ASP 33 4.901 12.618 0.219 115 HB3 ASP 33 HB2 ASP 33 4.692 10.918 0.554 116 H GLY 34 H GLY 34 2.525 13.155 3.977 117 HA2 GLY 34 HA3 GLY 34 2.225 15.393 4.748 118 HA3 GLY 34 HA2 GLY 34 2.834 15.989 3.209 119 H VAL 35 H VAL 35 1.186 14.241 1.644 120 HA VAL 35 HA VAL 35 -1.348 15.672 1.688 121 HB VAL 35 HB VAL 35 -1.675 14.463 -0.530 122 HG11 VAL 35 HG11 VAL 35 -0.308 16.084 -1.772 123 HG12 VAL 35 HG12 VAL 35 0.541 16.472 -0.275 124 HG13 VAL 35 HG13 VAL 35 -1.183 16.816 -0.427 125 HG21 VAL 35 HG21 VAL 35 1.293 14.043 -0.385 126 HG22 VAL 35 HG22 VAL 35 0.226 13.644 -1.734 127 HG23 VAL 35 HG23 VAL 35 0.090 12.763 -0.208 128 H SER 36 H SER 36 -3.331 14.165 0.974 129 HA SER 36 HA SER 36 -3.927 12.449 3.072 130 HB2 SER 36 HB3 SER 36 -5.567 13.422 1.409 131 HB3 SER 36 HB2 SER 36 -5.052 12.180 0.268 132 HG SER 36 HG SER 36 -6.882 11.472 1.361 133 H GLN 37 H GLN 37 -4.012 10.189 3.262 134 HA GLN 37 HA GLN 37 -1.605 8.951 2.328 135 HB2 GLN 37 HB3 GLN 37 -3.758 8.174 4.253 136 HB3 GLN 37 HB2 GLN 37 -2.546 7.007 3.761 137 HG2 GLN 37 HG3 GLN 37 -1.740 7.912 5.760 138 HG3 GLN 37 HG2 GLN 37 -0.818 8.704 4.488 139 HE21 GLN 37 HE22 GLN 37 -1.293 10.887 3.983 140 HE22 GLN 37 HE21 GLN 37 -2.072 11.924 5.122 141 H ARG 38 H ARG 38 -1.254 7.198 1.226 142 HA ARG 38 HA ARG 38 -3.441 6.118 -0.428 143 HB2 ARG 38 HB3 ARG 38 -1.416 7.410 -1.447 144 HB3 ARG 38 HB2 ARG 38 -0.527 5.929 -1.145 145 HG2 ARG 38 HG3 ARG 38 -2.228 4.726 -2.499 146 HG3 ARG 38 HG2 ARG 38 -2.927 6.287 -2.922 147 HD2 ARG 38 HD3 ARG 38 -0.792 6.975 -3.901 148 HD3 ARG 38 HD2 ARG 38 -0.092 5.413 -3.476 149 HE ARG 38 HE ARG 38 -2.432 5.115 -5.071 150 HH11 ARG 38 HH11 ARG 38 1.000 5.859 -5.327 151 HH12 ARG 38 HH12 ARG 38 1.108 5.310 -6.966 152 HH21 ARG 38 HH21 ARG 38 -2.259 4.408 -7.210 153 HH22 ARG 38 HH22 ARG 38 -0.734 4.490 -8.029 154 H THR 39 H THR 39 -3.383 3.862 -0.908 155 HA THR 39 HA THR 39 -2.014 2.257 1.154 156 HB THR 39 HB THR 39 -4.327 1.014 -0.214 157 HG1 THR 39 HG1 THR 39 -5.858 2.283 0.651 158 HG21 THR 39 HG21 THR 39 -4.827 0.236 2.049 159 HG22 THR 39 HG22 THR 39 -3.564 1.280 2.700 160 HG23 THR 39 HG23 THR 39 -3.137 -0.068 1.646 161 H PHE 40 H PHE 40 -0.620 0.764 0.520 162 HA PHE 40 HA PHE 40 -0.368 0.136 -2.339 163 HB2 PHE 40 HB3 PHE 40 1.607 -0.187 -0.058 164 HB3 PHE 40 HB2 PHE 40 1.902 -0.707 -1.700 165 HD1 PHE 40 HD1 PHE 40 1.104 2.363 0.272 166 HD2 PHE 40 HD2 PHE 40 2.915 0.725 -3.220 167 HE1 PHE 40 HE1 PHE 40 2.034 4.571 -0.281 168 HE2 PHE 40 HE2 PHE 40 3.851 2.933 -3.772 169 HZ PHE 40 HZ PHE 40 3.405 4.858 -2.304 170 H SER 41 H SER 41 0.415 -2.137 -2.829 171 HA SER 41 HA SER 41 -1.403 -4.039 -1.632 172 HB2 SER 41 HB3 SER 41 -0.907 -3.857 -4.116 173 HB3 SER 41 HB2 SER 41 0.658 -4.591 -3.770 174 HG SER 41 HG SER 41 -1.417 -5.970 -2.659 175 H ASN 42 H ASN 42 1.926 -3.187 -1.255 176 HA ASN 42 HA ASN 42 2.391 -4.853 0.953 177 HB2 ASN 42 HB3 ASN 42 2.675 -6.333 -1.427 178 HB3 ASN 42 HB2 ASN 42 4.328 -5.893 -1.009 179 HD21 ASN 42 HD22 ASN 42 1.396 -7.402 0.241 180 HD22 ASN 42 HD21 ASN 42 2.199 -8.467 1.339 181 HA PRO 43 HA PRO 43 5.745 -1.897 1.564 182 HB2 PRO 43 HB3 PRO 43 7.873 -3.429 2.446 183 HB3 PRO 43 HB2 PRO 43 6.547 -2.856 3.469 184 HG2 PRO 43 HG3 PRO 43 6.894 -5.525 2.162 185 HG3 PRO 43 HG2 PRO 43 6.326 -5.144 3.802 186 HD2 PRO 43 HD3 PRO 43 4.584 -5.792 1.908 187 HD3 PRO 43 HD2 PRO 43 4.220 -4.491 3.061 188 H CYS 44 H CYS 44 6.644 -4.735 -0.380 189 HA CYS 44 HA CYS 44 9.103 -3.772 -1.385 190 HB2 CYS 44 HB3 CYS 44 8.425 -6.136 -1.507 191 HB3 CYS 44 HB2 CYS 44 7.198 -5.719 -2.696 192 H ASP 45 H ASP 45 5.814 -3.565 -2.770 193 HA ASP 45 HA ASP 45 6.629 -2.119 -5.089 194 HB2 ASP 45 HB3 ASP 45 4.149 -1.635 -5.358 195 HB3 ASP 45 HB2 ASP 45 4.612 -3.328 -5.342 196 H LEU 46 H LEU 46 5.908 -1.172 -1.843 197 HA LEU 46 HA LEU 46 5.322 1.572 -2.306 198 HB2 LEU 46 HB3 LEU 46 4.537 0.381 -0.335 199 HB3 LEU 46 HB2 LEU 46 6.169 -0.011 0.133 200 HG LEU 46 HG LEU 46 5.566 2.838 -0.115 201 HD11 LEU 46 HD11 LEU 46 4.642 2.773 2.271 202 HD12 LEU 46 HD12 LEU 46 4.263 1.087 1.922 203 HD13 LEU 46 HD13 LEU 46 3.547 2.373 0.948 204 HD21 LEU 46 HD21 LEU 46 7.743 2.035 0.646 205 HD22 LEU 46 HD22 LEU 46 6.966 1.250 2.022 206 HD23 LEU 46 HD23 LEU 46 6.942 3.010 1.879 207 H LYS 47 H LYS 47 8.132 -0.118 -0.916 208 HA LYS 47 HA LYS 47 9.845 2.027 -0.595 209 HB2 LYS 47 HB3 LYS 47 10.240 -0.926 -0.893 210 HB3 LYS 47 HB2 LYS 47 11.618 0.140 -0.736 211 HG2 LYS 47 HG3 LYS 47 11.237 0.534 1.460 212 HG3 LYS 47 HG2 LYS 47 9.485 0.531 1.238 213 HD2 LYS 47 HD3 LYS 47 9.388 -1.833 1.266 214 HD3 LYS 47 HD2 LYS 47 11.136 -1.973 1.109 215 HE2 LYS 47 HE3 LYS 47 11.415 -0.989 3.331 216 HE3 LYS 47 HE2 LYS 47 9.665 -0.830 3.480 217 HZ1 LYS 47 HZ1 LYS 47 10.487 -2.791 4.633 218 HZ2 LYS 47 HZ2 LYS 47 11.142 -3.393 3.196 219 HZ3 LYS 47 HZ3 LYS 47 9.467 -3.232 3.357 220 H VAL 48 H VAL 48 9.297 0.017 -3.396 221 HA VAL 48 HA VAL 48 11.501 0.892 -4.979 222 HB VAL 48 HB VAL 48 9.988 -1.210 -5.145 223 HG11 VAL 48 HG11 VAL 48 8.269 -1.229 -6.821 224 HG12 VAL 48 HG12 VAL 48 8.464 0.507 -7.067 225 HG13 VAL 48 HG13 VAL 48 7.863 -0.102 -5.523 226 HG21 VAL 48 HG21 VAL 48 10.612 -1.541 -7.506 227 HG22 VAL 48 HG22 VAL 48 11.930 -0.892 -6.530 228 HG23 VAL 48 HG23 VAL 48 11.022 0.170 -7.605 229 H TYR 49 H TYR 49 8.218 1.941 -4.562 230 HA TYR 49 HA TYR 49 7.806 3.646 -6.725 231 HB2 TYR 49 HB3 TYR 49 6.242 2.867 -4.762 232 HB3 TYR 49 HB2 TYR 49 6.746 4.376 -4.012 233 HD1 TYR 49 HD1 TYR 49 6.095 6.537 -5.034 234 HD2 TYR 49 HD2 TYR 49 4.737 2.837 -6.644 235 HE1 TYR 49 HE1 TYR 49 4.367 7.732 -6.313 236 HE2 TYR 49 HE2 TYR 49 3.008 4.025 -7.925 237 HH TYR 49 HH TYR 49 2.598 6.156 -8.819 238 H ASN 50 H ASN 50 9.114 4.498 -3.534 239 HA ASN 50 HA ASN 50 9.606 7.250 -4.157 240 HB2 ASN 50 HB3 ASN 50 11.087 6.923 -1.949 241 HB3 ASN 50 HB2 ASN 50 9.346 7.064 -1.899 242 HD21 ASN 50 HD22 ASN 50 8.098 5.189 -1.687 243 HD22 ASN 50 HD21 ASN 50 8.752 3.758 -0.990 244 H CYS 51 H CYS 51 11.487 4.357 -4.302 245 HA CYS 51 HA CYS 51 14.098 5.298 -4.316 246 HB2 CYS 51 HB3 CYS 51 13.340 2.920 -4.194 247 HB3 CYS 51 HB2 CYS 51 13.052 2.971 -5.920 248 H TRP 52 H TRP 52 12.066 4.674 -7.206 249 HA TRP 52 HA TRP 52 14.005 6.200 -8.774 250 HB2 TRP 52 HB3 TRP 52 12.983 5.197 -10.760 251 HB3 TRP 52 HB2 TRP 52 13.652 4.058 -9.630 252 HD1 TRP 52 HD1 TRP 52 11.949 2.344 -8.445 253 HE1 TRP 52 HE1 TRP 52 9.607 1.551 -9.185 254 HE3 TRP 52 HE3 TRP 52 10.911 6.041 -11.742 255 HZ2 TRP 52 HZ2 TRP 52 7.576 2.409 -10.983 256 HZ3 TRP 52 HZ3 TRP 52 8.759 6.006 -12.962 257 HH2 TRP 52 HH2 TRP 52 7.124 4.227 -12.579 258 H ASN 53 H ASN 53 10.972 6.644 -7.468 259 HA ASN 53 HA ASN 53 10.333 8.905 -9.204 260 HB2 ASN 53 HB3 ASN 53 8.664 7.557 -7.071 261 HB3 ASN 53 HB2 ASN 53 8.155 8.955 -7.993 262 HD21 ASN 53 HD22 ASN 53 9.479 5.718 -8.541 263 HD22 ASN 53 HD21 ASN 53 8.442 5.338 -9.868 264 HA PRO 54 HA PRO 54 12.328 11.119 -5.604 265 HB2 PRO 54 HB3 PRO 54 13.195 13.260 -7.023 266 HB3 PRO 54 HB2 PRO 54 14.079 11.724 -7.001 267 HG2 PRO 54 HG3 PRO 54 12.128 12.725 -9.055 268 HG3 PRO 54 HG2 PRO 54 13.738 12.037 -9.305 269 HD2 PRO 54 HD3 PRO 54 11.573 10.524 -9.609 270 HD3 PRO 54 HD2 PRO 54 13.035 9.863 -8.855 271 H ASP 55 H ASP 55 10.246 12.482 -8.124 272 HA ASP 55 HA ASP 55 9.393 14.781 -6.671 273 HB2 ASP 55 HB3 ASP 55 8.406 13.430 -9.166 274 HB3 ASP 55 HB2 ASP 55 7.576 14.825 -8.486 275 H ASN 56 H ASN 56 8.055 11.501 -6.867 276 HA ASN 56 HA ASN 56 5.926 12.357 -5.023 277 HB2 ASN 56 HB3 ASN 56 5.748 10.664 -7.481 278 HB3 ASN 56 HB2 ASN 56 4.653 10.345 -6.150 279 HD21 ASN 56 HD22 ASN 56 5.537 12.517 -8.659 280 HD22 ASN 56 HD21 ASN 56 4.167 13.555 -8.525 281 HA PRO 57 HA PRO 57 8.191 8.712 -3.072 282 HB2 PRO 57 HB3 PRO 57 9.045 10.379 -0.878 283 HB3 PRO 57 HB2 PRO 57 10.053 9.568 -2.082 284 HG2 PRO 57 HG3 PRO 57 9.821 12.283 -1.919 285 HG3 PRO 57 HG2 PRO 57 10.193 11.416 -3.423 286 HD2 PRO 57 HD3 PRO 57 7.554 12.496 -2.480 287 HD3 PRO 57 HD2 PRO 57 8.296 12.584 -4.095 288 H TYR 58 H TYR 58 7.639 7.554 -1.106 289 HA TYR 58 HA TYR 58 5.459 8.737 0.481 290 HB2 TYR 58 HB3 TYR 58 5.524 6.025 -0.819 291 HB3 TYR 58 HB2 TYR 58 4.564 6.312 0.631 292 HD1 TYR 58 HD2 TYR 58 4.899 7.038 -2.956 293 HD2 TYR 58 HD1 TYR 58 2.577 7.703 0.552 294 HE1 TYR 58 HE2 TYR 58 3.057 7.895 -4.339 295 HE2 TYR 58 HE1 TYR 58 0.730 8.560 -0.826 296 HH TYR 58 HH TYR 58 0.624 8.181 -4.198 297 H LYS 59 H LYS 59 5.472 8.354 2.632 298 HA LYS 59 HA LYS 59 7.700 6.766 3.703 299 HB2 LYS 59 HB3 LYS 59 6.448 9.298 4.784 300 HB3 LYS 59 HB2 LYS 59 7.590 8.314 5.675 301 HG2 LYS 59 HG3 LYS 59 8.419 9.266 2.992 302 HG3 LYS 59 HG2 LYS 59 8.356 10.445 4.302 303 HD2 LYS 59 HD3 LYS 59 9.866 9.073 5.634 304 HD3 LYS 59 HD2 LYS 59 9.889 7.842 4.370 305 HE2 LYS 59 HE3 LYS 59 10.891 9.455 2.826 306 HE3 LYS 59 HE2 LYS 59 10.867 10.683 4.091 307 HZ1 LYS 59 HZ1 LYS 59 12.365 9.313 5.400 308 HZ2 LYS 59 HZ2 LYS 59 13.045 9.663 3.892 309 HZ3 LYS 59 HZ3 LYS 59 12.387 8.132 4.187 310 H GLU 60 H GLU 60 7.285 5.317 5.314 311 HA GLU 60 HA GLU 60 4.598 4.362 5.543 312 HB2 GLU 60 HB3 GLU 60 6.221 2.698 5.274 313 HB3 GLU 60 HB2 GLU 60 7.318 3.440 6.420 314 HG2 GLU 60 HG3 GLU 60 6.625 1.561 7.555 315 HG3 GLU 60 HG2 GLU 60 5.528 2.792 8.174 316 H VAL 61 H VAL 61 3.163 5.152 6.890 317 HA VAL 61 HA VAL 61 3.855 6.243 9.496 318 HB VAL 61 HB VAL 61 1.069 6.191 9.374 319 HG11 VAL 61 HG11 VAL 61 2.471 8.005 10.221 320 HG12 VAL 61 HG12 VAL 61 1.197 8.580 9.154 321 HG13 VAL 61 HG13 VAL 61 2.851 8.469 8.569 322 HG21 VAL 61 HG21 VAL 61 2.025 7.147 6.685 323 HG22 VAL 61 HG22 VAL 61 0.365 7.057 7.274 324 HG23 VAL 61 HG23 VAL 61 1.268 5.577 6.952 325 H LYS 62 H LYS 62 1.863 3.630 8.152 326 HA LYS 62 HA LYS 62 2.302 1.834 10.336 327 HB2 LYS 62 HB3 LYS 62 0.348 3.634 10.944 328 HB3 LYS 62 HB2 LYS 62 -0.599 2.433 10.068 329 HG2 LYS 62 HG3 LYS 62 -0.829 1.622 12.196 330 HG3 LYS 62 HG2 LYS 62 0.645 0.776 11.729 331 HD2 LYS 62 HD3 LYS 62 1.980 2.535 12.826 332 HD3 LYS 62 HD2 LYS 62 0.490 3.345 13.315 333 HE2 LYS 62 HE3 LYS 62 1.145 2.126 15.209 334 HE3 LYS 62 HE2 LYS 62 -0.117 1.144 14.468 335 HZ1 LYS 62 HZ1 LYS 62 2.807 0.707 14.157 336 HZ2 LYS 62 HZ2 LYS 62 1.585 -0.250 13.483 337 HZ3 LYS 62 HZ3 LYS 62 1.782 -0.189 15.161 338 H VAL 63 H VAL 63 1.057 -0.256 9.979 339 HA VAL 63 HA VAL 63 0.467 -0.561 7.116 340 HB VAL 63 HB VAL 63 0.682 -3.043 7.506 341 HG11 VAL 63 HG11 VAL 63 2.549 -1.646 6.651 342 HG12 VAL 63 HG12 VAL 63 3.079 -3.087 7.511 343 HG13 VAL 63 HG13 VAL 63 3.153 -1.510 8.299 344 HG21 VAL 63 HG21 VAL 63 1.712 -3.889 9.517 345 HG22 VAL 63 HG22 VAL 63 0.243 -3.007 9.943 346 HG23 VAL 63 HG23 VAL 63 1.821 -2.260 10.187 347 H GLY 64 H GLY 64 -1.552 -0.038 6.833 348 HA2 GLY 64 HA3 GLY 64 -3.703 -1.696 7.434 349 HA3 GLY 64 HA2 GLY 64 -3.700 -0.416 8.641 350 H GLU 65 H GLU 65 -5.793 0.103 7.700 351 HA GLU 65 HA GLU 65 -5.536 1.759 5.279 352 HB2 GLU 65 HB3 GLU 65 -7.850 0.223 6.419 353 HB3 GLU 65 HB2 GLU 65 -8.163 1.663 5.460 354 HG2 GLU 65 HG3 GLU 65 -8.248 0.080 3.821 355 HG3 GLU 65 HG2 GLU 65 -6.529 0.481 3.768 356 H CYS 66 H CYS 66 -5.034 3.717 5.879 357 HA CYS 66 HA CYS 66 -6.383 4.907 8.199 358 HB2 CYS 66 HB3 CYS 66 -4.444 6.244 8.555 359 HB3 CYS 66 HB2 CYS 66 -3.902 4.594 8.329 360 H ASP 67 H ASP 67 -6.889 7.149 8.166 361 HA ASP 67 HA ASP 67 -7.723 8.116 5.521 362 HB2 ASP 67 HB3 ASP 67 -8.733 8.614 8.319 363 HB3 ASP 67 HB2 ASP 67 -9.169 9.686 6.991 364 H ASP 68 H ASP 68 -7.864 10.671 5.493 365 HA ASP 68 HA ASP 68 -5.182 11.649 5.694 366 HB2 ASP 68 HB3 ASP 68 -6.171 13.790 4.793 367 HB3 ASP 68 HB2 ASP 68 -6.432 12.366 3.798 368 H ALA 69 H ALA 69 -7.493 11.426 8.057 369 HA ALA 69 HA ALA 69 -6.878 13.931 9.422 370 HB1 ALA 69 HB1 ALA 69 -8.707 11.677 10.246 371 HB2 ALA 69 HB2 ALA 69 -9.193 13.123 9.363 372 HB3 ALA 69 HB3 ALA 69 -8.589 13.260 11.014 373 H ASN 70 H ASN 70 -5.070 11.366 9.070 374 HA ASN 70 HA ASN 70 -4.365 10.902 11.869 375 HB2 ASN 70 HB3 ASN 70 -3.735 9.423 9.315 376 HB3 ASN 70 HB2 ASN 70 -2.862 9.102 10.807 377 HD21 ASN 70 HD22 ASN 70 -3.556 7.063 11.150 378 HD22 ASN 70 HD21 ASN 70 -5.198 6.633 11.471 379 H LYS 71 H LYS 71 -2.236 11.096 12.587 380 HA LYS 71 HA LYS 71 -0.723 13.200 11.274 381 HB2 LYS 71 HB3 LYS 71 0.619 13.240 13.410 382 HB3 LYS 71 HB2 LYS 71 -1.081 13.630 13.588 383 HG2 LYS 71 HG3 LYS 71 -1.514 11.391 14.471 384 HG3 LYS 71 HG2 LYS 71 0.189 10.973 14.260 385 HD2 LYS 71 HD3 LYS 71 0.802 12.773 15.827 386 HD3 LYS 71 HD2 LYS 71 -0.909 13.138 16.057 387 HE2 LYS 71 HE3 LYS 71 0.212 10.399 16.587 388 HE3 LYS 71 HE2 LYS 71 0.246 11.665 17.813 389 HZ1 LYS 71 HZ1 LYS 71 -1.692 10.250 18.058 390 HZ2 LYS 71 HZ2 LYS 71 -2.194 10.609 16.484 391 HZ3 LYS 71 HZ3 LYS 71 -2.163 11.825 17.658 392 HA PRO 72 HA PRO 72 2.486 10.458 9.756 393 HB2 PRO 72 HB3 PRO 72 4.535 12.512 9.936 394 HB3 PRO 72 HB2 PRO 72 3.722 11.890 8.494 395 HG2 PRO 72 HG3 PRO 72 3.339 14.414 9.390 396 HG3 PRO 72 HG2 PRO 72 2.078 13.491 8.547 397 HD2 PRO 72 HD3 PRO 72 2.420 13.944 11.495 398 HD3 PRO 72 HD2 PRO 72 0.950 14.039 10.501 399 H VAL 73 H VAL 73 3.872 8.991 10.557 400 HA VAL 73 HA VAL 73 5.498 9.692 12.880 401 HB VAL 73 HB VAL 73 5.074 7.300 13.777 402 HG11 VAL 73 HG11 VAL 73 3.042 9.510 14.012 403 HG12 VAL 73 HG12 VAL 73 4.485 9.275 14.999 404 HG13 VAL 73 HG13 VAL 73 3.152 8.126 15.102 405 HG21 VAL 73 HG21 VAL 73 2.394 7.657 12.450 406 HG22 VAL 73 HG22 VAL 73 2.991 6.267 13.354 407 HG23 VAL 73 HG23 VAL 73 3.658 6.636 11.765
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