NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
653619 | 6thi | 34453 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 H VAL 1 1.807 0.001 0.856 2 HA VAL 1 HA VAL 1 1.588 -0.649 -1.944 3 HB VAL 1 HB VAL 1 3.000 1.432 -2.548 4 HG11 VAL 1 HG11 VAL 1 0.695 0.940 -3.327 5 HG12 VAL 1 HG12 VAL 1 0.075 1.817 -1.929 6 HG13 VAL 1 HG13 VAL 1 1.024 2.663 -3.151 7 HG21 VAL 1 HG21 VAL 1 3.150 2.060 -0.066 8 HG22 VAL 1 HG22 VAL 1 2.814 3.349 -1.221 9 HG23 VAL 1 HG23 VAL 1 1.505 2.665 -0.257 10 H ARG 2 H ARG 2 3.872 -0.475 -2.981 11 HA ARG 2 HA ARG 2 6.113 -0.675 -1.211 12 HB2 ARG 2 HB2 ARG 2 6.646 -3.012 -1.589 13 HB3 ARG 2 HB3 ARG 2 5.060 -2.877 -0.842 14 HG2 ARG 2 HG2 ARG 2 3.963 -3.608 -2.707 15 HG3 ARG 2 HG3 ARG 2 5.217 -3.030 -3.805 16 HD2 ARG 2 HD2 ARG 2 5.553 -5.359 -1.922 17 HD3 ARG 2 HD3 ARG 2 5.076 -5.515 -3.612 18 HE ARG 2 HE ARG 2 7.236 -4.801 -4.257 19 HH11 ARG 2 HH11 ARG 2 6.863 -5.145 -0.813 20 HH12 ARG 2 HH12 ARG 2 8.567 -5.197 -0.502 21 HH21 ARG 2 HH21 ARG 2 9.482 -4.869 -3.861 22 HH22 ARG 2 HH22 ARG 2 10.055 -5.039 -2.236 23 H ASP 3 H ASP 3 8.089 -0.692 -2.303 24 HA ASP 3 HA ASP 3 7.887 0.026 -5.127 25 HB2 ASP 3 HB2 ASP 3 10.458 0.140 -3.604 26 HB3 ASP 3 HB3 ASP 3 9.866 1.199 -4.880 27 H GLY 4 H GLY 4 8.799 -1.114 -6.765 28 HA2 GLY 4 HA2 GLY 4 10.872 -2.917 -6.691 29 HA3 GLY 4 HA3 GLY 4 9.446 -3.858 -6.280 30 H TYR 5 H TYR 5 10.231 -4.957 -8.318 31 HA TYR 5 HA TYR 5 9.648 -3.578 -10.793 32 HB2 TYR 5 HB2 TYR 5 10.428 -6.452 -10.259 33 HB3 TYR 5 HB3 TYR 5 10.282 -5.725 -11.855 34 HD1 TYR 5 HD1 TYR 5 11.846 -3.854 -12.487 35 HD2 TYR 5 HD2 TYR 5 12.401 -6.206 -8.985 36 HE1 TYR 5 HE1 TYR 5 14.190 -3.117 -12.370 37 HE2 TYR 5 HE2 TYR 5 14.746 -5.474 -8.857 38 HH TYR 5 HH TYR 5 16.377 -4.340 -9.857 39 H ILE 6 H ILE 6 7.826 -3.705 -11.957 40 HA ILE 6 HA ILE 6 5.534 -5.016 -10.795 41 HB ILE 6 HB ILE 6 4.210 -3.804 -12.259 42 HG12 ILE 6 HG12 ILE 6 6.603 -3.665 -14.102 43 HG13 ILE 6 HG13 ILE 6 5.125 -4.588 -14.353 44 HG21 ILE 6 HG21 ILE 6 6.379 -1.832 -12.480 45 HG22 ILE 6 HG22 ILE 6 4.784 -1.690 -11.743 46 HG23 ILE 6 HG23 ILE 6 6.098 -2.467 -10.859 47 HD11 ILE 6 HD11 ILE 6 4.151 -2.863 -15.332 48 HD12 ILE 6 HD12 ILE 6 4.519 -1.809 -13.966 49 HD13 ILE 6 HD13 ILE 6 5.698 -2.019 -15.260 50 H ALA 7 H ALA 7 4.271 -6.621 -11.760 51 HA ALA 7 HA ALA 7 5.631 -8.158 -13.877 52 HB1 ALA 7 HB1 ALA 7 4.118 -9.092 -11.458 53 HB2 ALA 7 HB2 ALA 7 4.397 -10.141 -12.847 54 HB3 ALA 7 HB3 ALA 7 5.766 -9.485 -11.949 55 H ASP 8 H ASP 8 4.205 -9.452 -15.257 56 HA ASP 8 HA ASP 8 1.768 -7.960 -15.881 57 HB2 ASP 8 HB2 ASP 8 1.851 -9.260 -18.029 58 HB3 ASP 8 HB3 ASP 8 3.246 -8.221 -17.751 59 H ASP 9 H ASP 9 0.244 -9.751 -17.196 60 HA ASP 9 HA ASP 9 -1.153 -11.063 -15.173 61 HB2 ASP 9 HB2 ASP 9 -1.184 -11.213 -18.162 62 HB3 ASP 9 HB3 ASP 9 -2.103 -12.398 -17.236 63 H LYS 10 H LYS 10 1.633 -12.033 -16.931 64 HA LYS 10 HA LYS 10 1.321 -14.825 -16.085 65 HB2 LYS 10 HB2 LYS 10 3.370 -13.595 -17.938 66 HB3 LYS 10 HB3 LYS 10 3.179 -15.311 -17.604 67 HG2 LYS 10 HG2 LYS 10 0.671 -14.592 -18.432 68 HG3 LYS 10 HG3 LYS 10 1.714 -13.582 -19.436 69 HD2 LYS 10 HD2 LYS 10 2.749 -15.412 -20.421 70 HD3 LYS 10 HD3 LYS 10 2.304 -16.498 -19.104 71 HE2 LYS 10 HE2 LYS 10 0.187 -15.243 -20.805 72 HE3 LYS 10 HE3 LYS 10 1.064 -16.660 -21.383 73 HZ1 LYS 10 HZ1 LYS 10 -0.587 -17.720 -20.302 74 HZ2 LYS 10 HZ2 LYS 10 0.405 -17.477 -18.953 75 HZ3 LYS 10 HZ3 LYS 10 -0.895 -16.435 -19.245 76 H ASN 11 H ASN 11 2.030 -12.507 -14.328 77 HA ASN 11 HA ASN 11 3.481 -11.974 -12.654 78 HB2 ASN 11 HB2 ASN 11 2.772 -14.336 -12.064 79 HB3 ASN 11 HB3 ASN 11 4.289 -14.882 -12.772 80 HD21 ASN 11 HD21 ASN 11 5.821 -15.223 -11.352 81 HD22 ASN 11 HD22 ASN 11 6.038 -14.384 -9.857 82 H CYS 12 H CYS 12 4.461 -11.866 -15.450 83 HA CYS 12 HA CYS 12 7.324 -12.376 -15.080 84 HB2 CYS 12 HB2 CYS 12 5.550 -12.026 -17.456 85 HB3 CYS 12 HB3 CYS 12 7.248 -11.586 -17.610 86 H ALA 13 H ALA 13 8.821 -10.779 -15.015 87 HA ALA 13 HA ALA 13 8.061 -8.192 -14.236 88 HB1 ALA 13 HB1 ALA 13 10.466 -9.669 -14.437 89 HB2 ALA 13 HB2 ALA 13 10.714 -8.129 -15.261 90 HB3 ALA 13 HB3 ALA 13 10.178 -8.155 -13.580 91 H TYR 14 H TYR 14 7.901 -6.272 -15.303 92 HA TYR 14 HA TYR 14 7.264 -6.314 -18.055 93 HB2 TYR 14 HB2 TYR 14 7.465 -4.255 -15.934 94 HB3 TYR 14 HB3 TYR 14 7.609 -3.679 -17.591 95 HD1 TYR 14 HD1 TYR 14 5.503 -6.433 -16.226 96 HD2 TYR 14 HD2 TYR 14 5.603 -2.572 -18.012 97 HE1 TYR 14 HE1 TYR 14 3.054 -6.479 -16.449 98 HE2 TYR 14 HE2 TYR 14 3.154 -2.607 -18.238 99 HH TYR 14 HH TYR 14 1.251 -5.416 -17.182 100 H PHE 15 H PHE 15 8.932 -7.003 -19.332 101 HA PHE 15 HA PHE 15 11.599 -6.028 -19.090 102 HB2 PHE 15 HB2 PHE 15 10.436 -7.295 -21.564 103 HB3 PHE 15 HB3 PHE 15 12.099 -7.349 -20.989 104 HD1 PHE 15 HD1 PHE 15 11.918 -8.171 -18.258 105 HD2 PHE 15 HD2 PHE 15 9.580 -9.423 -21.586 106 HE1 PHE 15 HE1 PHE 15 11.458 -10.307 -17.126 107 HE2 PHE 15 HE2 PHE 15 9.116 -11.561 -20.460 108 HZ PHE 15 HZ PHE 15 10.054 -12.005 -18.227 109 H CYS 16 H CYS 16 10.979 -3.715 -19.049 110 HA CYS 16 HA CYS 16 10.117 -2.507 -21.520 111 HB2 CYS 16 HB2 CYS 16 10.395 -0.380 -20.324 112 HB3 CYS 16 HB3 CYS 16 9.458 -1.528 -19.373 113 H GLY 17 H GLY 17 11.530 -0.375 -22.044 114 HA2 GLY 17 HA2 GLY 17 14.380 -0.984 -22.040 115 HA3 GLY 17 HA3 GLY 17 13.594 -0.973 -23.612 116 H ARG 18 H ARG 18 12.312 1.189 -21.288 117 HA ARG 18 HA ARG 18 14.034 3.400 -21.971 118 HB2 ARG 18 HB2 ARG 18 11.573 2.908 -23.437 119 HB3 ARG 18 HB3 ARG 18 11.552 4.473 -22.635 120 HG2 ARG 18 HG2 ARG 18 13.926 4.721 -23.695 121 HG3 ARG 18 HG3 ARG 18 13.338 3.475 -24.798 122 HD2 ARG 18 HD2 ARG 18 11.565 5.795 -24.267 123 HD3 ARG 18 HD3 ARG 18 12.995 6.072 -25.261 124 HE ARG 18 HE ARG 18 11.750 3.815 -26.271 125 HH11 ARG 18 HH11 ARG 18 11.003 7.187 -25.831 126 HH12 ARG 18 HH12 ARG 18 9.941 7.264 -27.198 127 HH21 ARG 18 HH21 ARG 18 10.355 3.904 -28.074 128 HH22 ARG 18 HH22 ARG 18 9.573 5.396 -28.473 129 H ASN 19 H ASN 19 13.993 4.955 -20.435 130 HA ASN 19 HA ASN 19 12.809 4.467 -17.958 131 HB2 ASN 19 HB2 ASN 19 13.845 7.062 -19.119 132 HB3 ASN 19 HB3 ASN 19 13.440 6.823 -17.422 133 HD21 ASN 19 HD21 ASN 19 15.943 7.626 -18.185 134 HD22 ASN 19 HD22 ASN 19 17.077 6.359 -17.879 135 H ALA 20 H ALA 20 11.948 7.038 -20.280 136 HA ALA 20 HA ALA 20 9.704 8.021 -19.043 137 HB1 ALA 20 HB1 ALA 20 10.881 8.753 -21.230 138 HB2 ALA 20 HB2 ALA 20 9.722 7.680 -22.015 139 HB3 ALA 20 HB3 ALA 20 9.150 9.040 -21.048 140 H TYR 21 H TYR 21 9.906 5.251 -21.251 141 HA TYR 21 HA TYR 21 7.217 4.659 -21.506 142 HB2 TYR 21 HB2 TYR 21 8.725 3.442 -22.857 143 HB3 TYR 21 HB3 TYR 21 9.658 2.895 -21.469 144 HD1 TYR 21 HD1 TYR 21 8.958 0.987 -20.174 145 HD2 TYR 21 HD2 TYR 21 6.578 2.394 -23.408 146 HE1 TYR 21 HE1 TYR 21 7.653 -1.097 -20.112 147 HE2 TYR 21 HE2 TYR 21 5.265 0.315 -23.354 148 HH TYR 21 HH TYR 21 5.458 -1.964 -22.595 149 H CYS 22 H CYS 22 9.485 3.361 -19.081 150 HA CYS 22 HA CYS 22 7.640 1.846 -17.640 151 HB2 CYS 22 HB2 CYS 22 10.324 2.985 -17.115 152 HB3 CYS 22 HB3 CYS 22 9.378 2.550 -15.696 153 H ASP 23 H ASP 23 8.764 5.169 -17.032 154 HA ASP 23 HA ASP 23 7.343 5.773 -14.770 155 HB2 ASP 23 HB2 ASP 23 8.968 7.264 -16.007 156 HB3 ASP 23 HB3 ASP 23 7.643 7.686 -17.088 157 H GLU 24 H GLU 24 6.171 5.663 -18.088 158 HA GLU 24 HA GLU 24 3.618 6.783 -17.556 159 HB2 GLU 24 HB2 GLU 24 4.487 6.768 -19.811 160 HB3 GLU 24 HB3 GLU 24 4.589 5.013 -19.802 161 HG2 GLU 24 HG2 GLU 24 2.243 4.776 -19.856 162 HG3 GLU 24 HG3 GLU 24 1.991 6.481 -19.487 163 H GLU 25 H GLU 25 4.581 3.407 -18.200 164 HA GLU 25 HA GLU 25 2.113 2.246 -17.605 165 HB2 GLU 25 HB2 GLU 25 4.733 0.875 -17.054 166 HB3 GLU 25 HB3 GLU 25 3.222 0.167 -17.607 167 HG2 GLU 25 HG2 GLU 25 5.253 1.721 -19.148 168 HG3 GLU 25 HG3 GLU 25 4.546 0.145 -19.500 169 H CYS 26 H CYS 26 4.695 3.318 -15.524 170 HA CYS 26 HA CYS 26 3.946 1.920 -13.187 171 HB2 CYS 26 HB2 CYS 26 5.641 4.299 -13.793 172 HB3 CYS 26 HB3 CYS 26 5.153 4.033 -12.122 173 H LYS 27 H LYS 27 3.601 5.423 -13.747 174 HA LYS 27 HA LYS 27 1.796 5.928 -11.718 175 HB2 LYS 27 HB2 LYS 27 2.402 7.281 -14.317 176 HB3 LYS 27 HB3 LYS 27 1.038 7.841 -13.358 177 HG2 LYS 27 HG2 LYS 27 2.718 7.971 -11.419 178 HG3 LYS 27 HG3 LYS 27 3.952 7.870 -12.678 179 HD2 LYS 27 HD2 LYS 27 1.727 9.901 -12.705 180 HD3 LYS 27 HD3 LYS 27 3.302 10.202 -11.966 181 HE2 LYS 27 HE2 LYS 27 4.334 9.620 -14.183 182 HE3 LYS 27 HE3 LYS 27 2.706 9.609 -14.859 183 HZ1 LYS 27 HZ1 LYS 27 2.601 11.832 -14.846 184 HZ2 LYS 27 HZ2 LYS 27 3.370 11.980 -13.346 185 HZ3 LYS 27 HZ3 LYS 27 4.289 11.769 -14.750 186 H LYS 28 H LYS 28 1.188 4.828 -15.009 187 HA LYS 28 HA LYS 28 -1.603 5.118 -15.022 188 HB2 LYS 28 HB2 LYS 28 0.270 3.292 -16.512 189 HB3 LYS 28 HB3 LYS 28 -1.470 3.228 -16.760 190 HG2 LYS 28 HG2 LYS 28 -0.468 5.936 -16.927 191 HG3 LYS 28 HG3 LYS 28 0.336 4.861 -18.074 192 HD2 LYS 28 HD2 LYS 28 -2.649 4.863 -17.784 193 HD3 LYS 28 HD3 LYS 28 -1.833 6.046 -18.809 194 HE2 LYS 28 HE2 LYS 28 -1.003 3.244 -19.183 195 HE3 LYS 28 HE3 LYS 28 -2.662 3.614 -19.653 196 HZ1 LYS 28 HZ1 LYS 28 -1.963 5.109 -21.253 197 HZ2 LYS 28 HZ2 LYS 28 -0.435 5.321 -20.560 198 HZ3 LYS 28 HZ3 LYS 28 -0.801 3.886 -21.378 199 H LYS 29 H LYS 29 0.466 2.752 -13.560 200 HA LYS 29 HA LYS 29 -1.772 0.955 -13.017 201 HB2 LYS 29 HB2 LYS 29 0.891 0.486 -13.548 202 HB3 LYS 29 HB3 LYS 29 0.810 0.297 -11.801 203 HG2 LYS 29 HG2 LYS 29 0.159 -1.789 -12.189 204 HG3 LYS 29 HG3 LYS 29 -1.387 -1.108 -12.702 205 HD2 LYS 29 HD2 LYS 29 -0.556 -2.615 -14.402 206 HD3 LYS 29 HD3 LYS 29 -0.517 -0.958 -15.009 207 HE2 LYS 29 HE2 LYS 29 1.961 -1.339 -13.793 208 HE3 LYS 29 HE3 LYS 29 1.642 -2.846 -14.650 209 HZ1 LYS 29 HZ1 LYS 29 1.635 -1.803 -16.671 210 HZ2 LYS 29 HZ2 LYS 29 1.192 -0.298 -16.037 211 HZ3 LYS 29 HZ3 LYS 29 2.778 -0.859 -15.857 212 H GLY 30 H GLY 30 -1.407 3.682 -11.797 213 HA2 GLY 30 HA2 GLY 30 -2.213 4.462 -9.744 214 HA3 GLY 30 HA3 GLY 30 -1.993 2.853 -9.072 215 H ALA 31 H ALA 31 0.808 2.815 -10.175 216 HA ALA 31 HA ALA 31 2.221 3.448 -7.909 217 HB1 ALA 31 HB1 ALA 31 4.173 3.112 -9.133 218 HB2 ALA 31 HB2 ALA 31 2.967 2.184 -10.022 219 HB3 ALA 31 HB3 ALA 31 3.473 3.766 -10.613 220 H GLU 32 H GLU 32 3.954 5.139 -7.677 221 HA GLU 32 HA GLU 32 2.772 7.754 -8.228 222 HB2 GLU 32 HB2 GLU 32 3.597 6.933 -5.908 223 HB3 GLU 32 HB3 GLU 32 5.203 7.291 -6.527 224 HG2 GLU 32 HG2 GLU 32 4.454 9.170 -5.278 225 HG3 GLU 32 HG3 GLU 32 4.447 9.612 -6.984 226 H SER 33 H SER 33 5.605 5.832 -8.932 227 HA SER 33 HA SER 33 6.271 7.161 -11.270 228 HB2 SER 33 HB2 SER 33 7.093 8.618 -8.952 229 HB3 SER 33 HB3 SER 33 8.533 8.012 -9.769 230 HG SER 33 HG SER 33 7.103 10.093 -10.440 231 H GLY 34 H GLY 34 8.319 6.442 -12.194 232 HA2 GLY 34 HA2 GLY 34 9.994 4.588 -10.834 233 HA3 GLY 34 HA3 GLY 34 8.816 3.743 -11.828 234 H TYR 35 H TYR 35 11.015 3.046 -12.734 235 HA TYR 35 HA TYR 35 11.430 4.539 -15.179 236 HB2 TYR 35 HB2 TYR 35 13.951 4.501 -14.821 237 HB3 TYR 35 HB3 TYR 35 13.049 5.690 -13.888 238 HD1 TYR 35 HD1 TYR 35 12.793 5.447 -11.475 239 HD2 TYR 35 HD2 TYR 35 15.028 2.621 -13.738 240 HE1 TYR 35 HE1 TYR 35 13.781 4.574 -9.399 241 HE2 TYR 35 HE2 TYR 35 16.021 1.740 -11.668 242 HH TYR 35 HH TYR 35 15.371 3.240 -8.535 243 H CYS 36 H CYS 36 13.511 3.334 -16.292 244 HA CYS 36 HA CYS 36 12.726 0.504 -16.318 245 HB2 CYS 36 HB2 CYS 36 12.645 2.038 -18.416 246 HB3 CYS 36 HB3 CYS 36 14.392 1.820 -18.443 247 H GLN 37 H GLN 37 14.031 -0.014 -14.479 248 HA GLN 37 HA GLN 37 16.855 0.418 -14.497 249 HB2 GLN 37 HB2 GLN 37 15.374 0.087 -12.452 250 HB3 GLN 37 HB3 GLN 37 15.378 -1.627 -12.846 251 HG2 GLN 37 HG2 GLN 37 17.803 -1.682 -12.626 252 HG3 GLN 37 HG3 GLN 37 17.812 0.041 -12.253 253 HE21 GLN 37 HE21 GLN 37 15.607 0.180 -10.584 254 HE22 GLN 37 HE22 GLN 37 15.951 -0.677 -9.125 255 H TRP 38 H TRP 38 18.041 -0.514 -16.045 256 HA TRP 38 HA TRP 38 17.388 -3.093 -17.136 257 HB2 TRP 38 HB2 TRP 38 19.633 -2.737 -18.338 258 HB3 TRP 38 HB3 TRP 38 18.328 -1.609 -18.699 259 HD1 TRP 38 HD1 TRP 38 21.546 -1.789 -16.556 260 HE1 TRP 38 HE1 TRP 38 22.463 0.602 -16.296 261 HE3 TRP 38 HE3 TRP 38 17.790 0.780 -18.887 262 HZ2 TRP 38 HZ2 TRP 38 21.696 3.229 -16.987 263 HZ3 TRP 38 HZ3 TRP 38 17.958 3.229 -19.045 264 HH2 TRP 38 HH2 TRP 38 19.871 4.427 -18.113 265 H ALA 39 H ALA 39 17.596 -3.688 -14.603 266 HA ALA 39 HA ALA 39 19.801 -5.498 -14.484 267 HB1 ALA 39 HB1 ALA 39 21.215 -3.892 -13.685 268 HB2 ALA 39 HB2 ALA 39 19.918 -2.964 -12.933 269 HB3 ALA 39 HB3 ALA 39 20.501 -4.442 -12.169 270 H GLY 40 H GLY 40 19.841 -6.607 -12.242 271 HA2 GLY 40 HA2 GLY 40 18.461 -7.009 -10.225 272 HA3 GLY 40 HA3 GLY 40 17.059 -6.815 -11.266 273 H GLN 41 H GLN 41 17.231 -9.044 -9.738 274 HA GLN 41 HA GLN 41 18.543 -11.258 -10.780 275 HB2 GLN 41 HB2 GLN 41 17.309 -11.162 -8.606 276 HB3 GLN 41 HB3 GLN 41 15.803 -11.264 -9.508 277 HG2 GLN 41 HG2 GLN 41 16.016 -13.465 -9.874 278 HG3 GLN 41 HG3 GLN 41 17.758 -13.361 -10.125 279 HE21 GLN 41 HE21 GLN 41 15.760 -12.423 -7.361 280 HE22 GLN 41 HE22 GLN 41 16.545 -13.453 -6.219 281 H TYR 42 H TYR 42 15.608 -9.678 -11.831 282 HA TYR 42 HA TYR 42 15.142 -11.769 -13.830 283 HB2 TYR 42 HB2 TYR 42 13.276 -9.507 -13.778 284 HB3 TYR 42 HB3 TYR 42 12.952 -11.237 -13.743 285 HD1 TYR 42 HD1 TYR 42 13.430 -12.437 -11.474 286 HD2 TYR 42 HD2 TYR 42 12.883 -8.237 -11.876 287 HE1 TYR 42 HE1 TYR 42 12.865 -12.288 -9.085 288 HE2 TYR 42 HE2 TYR 42 12.318 -8.076 -9.488 289 HH TYR 42 HH TYR 42 12.757 -10.727 -7.313 290 H GLY 43 H GLY 43 17.390 -9.933 -14.030 291 HA2 GLY 43 HA2 GLY 43 18.448 -8.656 -15.616 292 HA3 GLY 43 HA3 GLY 43 17.278 -9.317 -16.749 293 H ASN 44 H ASN 44 16.389 -7.729 -17.879 294 HA ASN 44 HA ASN 44 16.129 -5.072 -16.771 295 HB2 ASN 44 HB2 ASN 44 15.825 -6.315 -19.456 296 HB3 ASN 44 HB3 ASN 44 14.918 -4.837 -19.148 297 HD21 ASN 44 HD21 ASN 44 18.098 -5.822 -17.970 298 HD22 ASN 44 HD22 ASN 44 18.964 -4.508 -18.682 299 H ALA 45 H ALA 45 14.519 -4.785 -15.355 300 HA ALA 45 HA ALA 45 11.812 -5.575 -16.193 301 HB1 ALA 45 HB1 ALA 45 13.085 -5.974 -13.500 302 HB2 ALA 45 HB2 ALA 45 11.336 -5.956 -13.726 303 HB3 ALA 45 HB3 ALA 45 12.318 -7.172 -14.542 304 H CYS 46 H CYS 46 10.196 -4.118 -15.777 305 HA CYS 46 HA CYS 46 10.915 -1.406 -15.462 306 HB2 CYS 46 HB2 CYS 46 8.845 -2.455 -16.625 307 HB3 CYS 46 HB3 CYS 46 8.122 -2.425 -15.020 308 H TRP 47 H TRP 47 11.141 -0.176 -13.707 309 HA TRP 47 HA TRP 47 10.465 -1.355 -11.105 310 HB2 TRP 47 HB2 TRP 47 12.805 -0.763 -11.344 311 HB3 TRP 47 HB3 TRP 47 12.376 0.873 -11.833 312 HD1 TRP 47 HD1 TRP 47 11.617 2.572 -9.919 313 HE1 TRP 47 HE1 TRP 47 11.902 2.527 -7.361 314 HE3 TRP 47 HE3 TRP 47 12.866 -2.350 -9.328 315 HZ2 TRP 47 HZ2 TRP 47 12.569 0.653 -5.358 316 HZ3 TRP 47 HZ3 TRP 47 13.313 -3.189 -7.059 317 HH2 TRP 47 HH2 TRP 47 13.167 -1.717 -5.116 318 H CYS 48 H CYS 48 9.092 -0.379 -9.704 319 HA CYS 48 HA CYS 48 8.023 2.261 -10.429 320 HB2 CYS 48 HB2 CYS 48 6.475 -0.252 -9.824 321 HB3 CYS 48 HB3 CYS 48 5.763 1.344 -9.610 322 H TYR 49 H TYR 49 6.941 3.364 -8.639 323 HA TYR 49 HA TYR 49 8.089 2.572 -6.043 324 HB2 TYR 49 HB2 TYR 49 7.723 5.234 -7.352 325 HB3 TYR 49 HB3 TYR 49 7.660 5.139 -5.595 326 HD1 TYR 49 HD1 TYR 49 9.654 4.152 -4.374 327 HD2 TYR 49 HD2 TYR 49 9.782 5.240 -8.485 328 HE1 TYR 49 HE1 TYR 49 12.111 4.198 -4.279 329 HE2 TYR 49 HE2 TYR 49 12.240 5.288 -8.402 330 HH TYR 49 HH TYR 49 14.028 3.896 -6.074 331 H LYS 50 H LYS 50 6.818 2.634 -4.217 332 HA LYS 50 HA LYS 50 4.875 2.216 -3.081 333 HB2 LYS 50 HB2 LYS 50 4.005 4.739 -4.501 334 HB3 LYS 50 HB3 LYS 50 3.361 4.113 -2.989 335 HG2 LYS 50 HG2 LYS 50 6.243 4.508 -2.917 336 HG3 LYS 50 HG3 LYS 50 5.344 5.991 -3.247 337 HD2 LYS 50 HD2 LYS 50 5.448 5.942 -0.924 338 HD3 LYS 50 HD3 LYS 50 3.856 5.259 -1.266 339 HE2 LYS 50 HE2 LYS 50 4.936 2.985 -1.139 340 HE3 LYS 50 HE3 LYS 50 6.379 3.791 -0.526 341 HZ1 LYS 50 HZ1 LYS 50 5.234 4.502 1.386 342 HZ2 LYS 50 HZ2 LYS 50 3.721 4.093 0.747 343 HZ3 LYS 50 HZ3 LYS 50 4.810 2.876 1.190 344 H LEU 51 H LEU 51 4.830 0.496 -5.048 345 HA LEU 51 HA LEU 51 2.668 0.766 -6.880 346 HB2 LEU 51 HB2 LEU 51 4.505 -1.411 -6.038 347 HB3 LEU 51 HB3 LEU 51 3.015 -1.864 -6.863 348 HG LEU 51 HG LEU 51 5.190 -0.078 -7.952 349 HD11 LEU 51 HD11 LEU 51 4.987 -2.871 -7.853 350 HD12 LEU 51 HD12 LEU 51 4.570 -2.409 -9.503 351 HD13 LEU 51 HD13 LEU 51 6.110 -1.904 -8.808 352 HD21 LEU 51 HD21 LEU 51 3.063 0.686 -8.766 353 HD22 LEU 51 HD22 LEU 51 3.873 -0.208 -10.053 354 HD23 LEU 51 HD23 LEU 51 2.566 -0.964 -9.142 355 HA PRO 52 HA PRO 52 -0.718 -0.243 -4.242 356 HB2 PRO 52 HB2 PRO 52 -2.503 -0.979 -6.151 357 HB3 PRO 52 HB3 PRO 52 -2.052 0.705 -5.856 358 HG2 PRO 52 HG2 PRO 52 -1.066 -1.178 -7.963 359 HG3 PRO 52 HG3 PRO 52 -1.514 0.531 -8.111 360 HD2 PRO 52 HD2 PRO 52 1.060 -0.290 -7.935 361 HD3 PRO 52 HD3 PRO 52 0.506 1.263 -7.277 362 H ASP 53 H ASP 53 -1.354 -2.010 -3.150 363 HA ASP 53 HA ASP 53 -0.205 -4.478 -3.395 364 HB2 ASP 53 HB2 ASP 53 -1.808 -3.452 -1.568 365 HB3 ASP 53 HB3 ASP 53 -3.039 -4.351 -2.450 366 H LYS 54 H LYS 54 -2.910 -3.203 -5.170 367 HA LYS 54 HA LYS 54 -4.008 -5.601 -6.135 368 HB2 LYS 54 HB2 LYS 54 -3.911 -2.911 -7.513 369 HB3 LYS 54 HB3 LYS 54 -5.011 -4.230 -7.894 370 HG2 LYS 54 HG2 LYS 54 -5.121 -3.464 -5.095 371 HG3 LYS 54 HG3 LYS 54 -5.508 -2.131 -6.185 372 HD2 LYS 54 HD2 LYS 54 -7.578 -3.012 -6.159 373 HD3 LYS 54 HD3 LYS 54 -6.911 -4.164 -7.318 374 HE2 LYS 54 HE2 LYS 54 -8.056 -5.399 -5.621 375 HE3 LYS 54 HE3 LYS 54 -6.324 -5.644 -5.398 376 HZ1 LYS 54 HZ1 LYS 54 -6.311 -4.478 -3.467 377 HZ2 LYS 54 HZ2 LYS 54 -7.585 -3.460 -3.919 378 HZ3 LYS 54 HZ3 LYS 54 -7.906 -5.039 -3.401 379 H VAL 55 H VAL 55 -1.466 -3.504 -7.447 380 HA VAL 55 HA VAL 55 -1.008 -5.289 -9.684 381 HB VAL 55 HB VAL 55 0.596 -2.873 -8.839 382 HG11 VAL 55 HG11 VAL 55 1.309 -4.818 -10.599 383 HG12 VAL 55 HG12 VAL 55 0.494 -3.669 -11.660 384 HG13 VAL 55 HG13 VAL 55 1.860 -3.144 -10.675 385 HG21 VAL 55 HG21 VAL 55 -1.535 -2.998 -10.963 386 HG22 VAL 55 HG22 VAL 55 -1.833 -2.431 -9.320 387 HG23 VAL 55 HG23 VAL 55 -0.693 -1.572 -10.356 388 HA PRO 56 HA PRO 56 1.805 -7.709 -7.160 389 HB2 PRO 56 HB2 PRO 56 2.218 -9.624 -9.040 390 HB3 PRO 56 HB3 PRO 56 0.771 -9.569 -8.027 391 HG2 PRO 56 HG2 PRO 56 1.148 -8.627 -10.843 392 HG3 PRO 56 HG3 PRO 56 -0.209 -9.523 -10.135 393 HD2 PRO 56 HD2 PRO 56 -0.297 -6.853 -10.573 394 HD3 PRO 56 HD3 PRO 56 -1.148 -7.627 -9.221 395 H ILE 57 H ILE 57 4.037 -8.303 -7.289 396 HA ILE 57 HA ILE 57 5.521 -6.838 -9.372 397 HB ILE 57 HB ILE 57 7.372 -6.672 -7.691 398 HG12 ILE 57 HG12 ILE 57 5.506 -7.021 -5.441 399 HG13 ILE 57 HG13 ILE 57 5.929 -8.513 -6.275 400 HG21 ILE 57 HG21 ILE 57 5.127 -5.092 -8.043 401 HG22 ILE 57 HG22 ILE 57 5.283 -5.233 -6.292 402 HG23 ILE 57 HG23 ILE 57 6.630 -4.619 -7.251 403 HD11 ILE 57 HD11 ILE 57 7.842 -8.583 -5.179 404 HD12 ILE 57 HD12 ILE 57 8.307 -7.024 -5.861 405 HD13 ILE 57 HD13 ILE 57 7.414 -7.091 -4.341 406 H LYS 58 H LYS 58 7.517 -7.741 -10.085 407 HA LYS 58 HA LYS 58 7.426 -10.543 -10.483 408 HB2 LYS 58 HB2 LYS 58 8.423 -9.168 -12.172 409 HB3 LYS 58 HB3 LYS 58 9.571 -8.490 -11.025 410 HG2 LYS 58 HG2 LYS 58 10.683 -10.081 -12.445 411 HG3 LYS 58 HG3 LYS 58 10.615 -10.709 -10.796 412 HD2 LYS 58 HD2 LYS 58 8.423 -11.858 -11.631 413 HD3 LYS 58 HD3 LYS 58 9.119 -11.591 -13.231 414 HE2 LYS 58 HE2 LYS 58 11.204 -12.725 -12.382 415 HE3 LYS 58 HE3 LYS 58 10.283 -13.173 -10.947 416 HZ1 LYS 58 HZ1 LYS 58 8.631 -14.102 -12.707 417 HZ2 LYS 58 HZ2 LYS 58 9.993 -14.123 -13.710 418 HZ3 LYS 58 HZ3 LYS 58 9.993 -15.003 -12.265 419 H VAL 59 H VAL 59 8.389 -12.191 -9.441 420 HA VAL 59 HA VAL 59 10.502 -11.654 -7.502 421 HB VAL 59 HB VAL 59 9.363 -13.052 -5.778 422 HG11 VAL 59 HG11 VAL 59 9.261 -10.425 -6.093 423 HG12 VAL 59 HG12 VAL 59 7.539 -10.760 -6.273 424 HG13 VAL 59 HG13 VAL 59 8.381 -11.240 -4.800 425 HG21 VAL 59 HG21 VAL 59 7.480 -13.407 -7.897 426 HG22 VAL 59 HG22 VAL 59 7.533 -14.189 -6.318 427 HG23 VAL 59 HG23 VAL 59 6.669 -12.665 -6.518 428 H SER 60 H SER 60 11.742 -13.489 -6.945 429 HA SER 60 HA SER 60 12.293 -15.275 -8.970 430 HB2 SER 60 HB2 SER 60 12.724 -15.830 -6.027 431 HB3 SER 60 HB3 SER 60 13.637 -16.498 -7.380 432 HG SER 60 HG SER 60 14.082 -14.147 -7.835 433 H GLY 61 H GLY 61 10.759 -16.523 -9.872 434 HA2 GLY 61 HA2 GLY 61 9.710 -18.723 -8.321 435 HA3 GLY 61 HA3 GLY 61 8.484 -17.584 -8.856 436 H LYS 62 H LYS 62 8.129 -17.307 -11.115 437 HA LYS 62 HA LYS 62 9.432 -19.140 -12.947 438 HB2 LYS 62 HB2 LYS 62 7.556 -20.427 -11.861 439 HB3 LYS 62 HB3 LYS 62 6.436 -19.278 -12.583 440 HG2 LYS 62 HG2 LYS 62 6.445 -21.136 -14.012 441 HG3 LYS 62 HG3 LYS 62 7.439 -19.920 -14.819 442 HD2 LYS 62 HD2 LYS 62 8.788 -21.755 -15.052 443 HD3 LYS 62 HD3 LYS 62 9.380 -21.136 -13.508 444 HE2 LYS 62 HE2 LYS 62 7.672 -22.681 -12.422 445 HE3 LYS 62 HE3 LYS 62 7.505 -23.433 -14.007 446 HZ1 LYS 62 HZ1 LYS 62 9.430 -23.955 -12.076 447 HZ2 LYS 62 HZ2 LYS 62 9.330 -24.603 -13.636 448 HZ3 LYS 62 HZ3 LYS 62 10.237 -23.201 -13.358 449 H CYS 63 H CYS 63 9.180 -18.578 -15.116 450 HA CYS 63 HA CYS 63 7.337 -16.681 -16.083 451 HB2 CYS 63 HB2 CYS 63 8.570 -15.070 -14.757 452 HB3 CYS 63 HB3 CYS 63 10.095 -15.616 -15.448 453 H ASN 64 H ASN 64 7.427 -16.489 -18.305 454 HA ASN 64 HA ASN 64 8.969 -18.475 -19.670 455 HB2 ASN 64 HB2 ASN 64 7.214 -16.286 -20.806 456 HB3 ASN 64 HB3 ASN 64 7.814 -17.690 -21.684 457 HD21 ASN 64 HD21 ASN 64 6.890 -19.684 -21.341 458 HD22 ASN 64 HD22 ASN 64 5.410 -19.891 -20.473 Start of MODEL 2 1 H1 VAL 1 H VAL 1 1.587 0.724 0.741 2 HA VAL 1 HA VAL 1 1.495 -0.391 -1.981 3 HB VAL 1 HB VAL 1 2.806 1.725 -2.654 4 HG11 VAL 1 HG11 VAL 1 0.497 1.118 -3.367 5 HG12 VAL 1 HG12 VAL 1 -0.118 2.047 -2.000 6 HG13 VAL 1 HG13 VAL 1 0.788 2.855 -3.279 7 HG21 VAL 1 HG21 VAL 1 2.540 3.679 -1.378 8 HG22 VAL 1 HG22 VAL 1 1.307 2.944 -0.353 9 HG23 VAL 1 HG23 VAL 1 2.990 2.437 -0.209 10 H ARG 2 H ARG 2 3.758 -0.186 -3.024 11 HA ARG 2 HA ARG 2 6.023 -0.192 -1.285 12 HB2 ARG 2 HB2 ARG 2 6.638 -2.577 -1.666 13 HB3 ARG 2 HB3 ARG 2 5.218 -2.368 -0.650 14 HG2 ARG 2 HG2 ARG 2 3.914 -3.488 -2.065 15 HG3 ARG 2 HG3 ARG 2 4.554 -2.629 -3.468 16 HD2 ARG 2 HD2 ARG 2 5.946 -4.300 -3.980 17 HD3 ARG 2 HD3 ARG 2 6.476 -4.477 -2.308 18 HE ARG 2 HE ARG 2 4.503 -6.043 -3.665 19 HH11 ARG 2 HH11 ARG 2 5.509 -4.833 -0.559 20 HH12 ARG 2 HH12 ARG 2 4.745 -6.108 0.331 21 HH21 ARG 2 HH21 ARG 2 3.492 -7.726 -2.504 22 HH22 ARG 2 HH22 ARG 2 3.598 -7.753 -0.777 23 H ASP 3 H ASP 3 7.990 -0.258 -2.408 24 HA ASP 3 HA ASP 3 7.727 0.306 -5.256 25 HB2 ASP 3 HB2 ASP 3 10.359 0.444 -3.862 26 HB3 ASP 3 HB3 ASP 3 9.686 1.501 -5.101 27 H GLY 4 H GLY 4 8.656 -0.876 -6.873 28 HA2 GLY 4 HA2 GLY 4 10.677 -2.730 -6.741 29 HA3 GLY 4 HA3 GLY 4 9.226 -3.624 -6.311 30 H TYR 5 H TYR 5 10.245 -4.676 -8.386 31 HA TYR 5 HA TYR 5 9.569 -3.374 -10.861 32 HB2 TYR 5 HB2 TYR 5 10.341 -6.260 -10.398 33 HB3 TYR 5 HB3 TYR 5 10.372 -5.394 -11.930 34 HD1 TYR 5 HD1 TYR 5 11.697 -2.918 -11.379 35 HD2 TYR 5 HD2 TYR 5 12.500 -6.772 -9.765 36 HE1 TYR 5 HE1 TYR 5 14.026 -2.249 -10.957 37 HE2 TYR 5 HE2 TYR 5 14.831 -6.113 -9.338 38 HH TYR 5 HH TYR 5 15.886 -2.978 -9.343 39 H ILE 6 H ILE 6 7.714 -3.490 -11.950 40 HA ILE 6 HA ILE 6 5.483 -4.908 -10.814 41 HB ILE 6 HB ILE 6 4.117 -3.713 -12.240 42 HG12 ILE 6 HG12 ILE 6 6.461 -3.559 -14.142 43 HG13 ILE 6 HG13 ILE 6 4.980 -4.486 -14.354 44 HG21 ILE 6 HG21 ILE 6 6.020 -2.329 -10.901 45 HG22 ILE 6 HG22 ILE 6 6.232 -1.696 -12.534 46 HG23 ILE 6 HG23 ILE 6 4.659 -1.588 -11.743 47 HD11 ILE 6 HD11 ILE 6 4.043 -2.776 -15.384 48 HD12 ILE 6 HD12 ILE 6 4.295 -1.754 -13.969 49 HD13 ILE 6 HD13 ILE 6 5.543 -1.864 -15.210 50 H ALA 7 H ALA 7 4.295 -6.569 -11.753 51 HA ALA 7 HA ALA 7 5.671 -8.022 -13.919 52 HB1 ALA 7 HB1 ALA 7 4.270 -9.058 -11.472 53 HB2 ALA 7 HB2 ALA 7 4.586 -10.076 -12.877 54 HB3 ALA 7 HB3 ALA 7 5.929 -9.346 -11.997 55 H ASP 8 H ASP 8 4.268 -9.383 -15.263 56 HA ASP 8 HA ASP 8 1.752 -8.001 -15.818 57 HB2 ASP 8 HB2 ASP 8 1.816 -9.225 -17.971 58 HB3 ASP 8 HB3 ASP 8 3.265 -8.261 -17.701 59 H ASP 9 H ASP 9 0.286 -9.891 -17.094 60 HA ASP 9 HA ASP 9 -1.026 -11.217 -15.025 61 HB2 ASP 9 HB2 ASP 9 -1.070 -11.505 -18.012 62 HB3 ASP 9 HB3 ASP 9 -1.985 -12.621 -17.002 63 H LYS 10 H LYS 10 1.784 -12.100 -16.789 64 HA LYS 10 HA LYS 10 1.609 -14.882 -15.873 65 HB2 LYS 10 HB2 LYS 10 3.573 -13.610 -17.788 66 HB3 LYS 10 HB3 LYS 10 3.464 -15.324 -17.408 67 HG2 LYS 10 HG2 LYS 10 0.902 -14.633 -18.221 68 HG3 LYS 10 HG3 LYS 10 1.972 -13.758 -19.319 69 HD2 LYS 10 HD2 LYS 10 1.819 -15.753 -20.428 70 HD3 LYS 10 HD3 LYS 10 3.216 -16.087 -19.401 71 HE2 LYS 10 HE2 LYS 10 0.506 -16.697 -18.340 72 HE3 LYS 10 HE3 LYS 10 1.176 -17.763 -19.573 73 HZ1 LYS 10 HZ1 LYS 10 1.928 -17.449 -16.805 74 HZ2 LYS 10 HZ2 LYS 10 2.128 -18.774 -17.838 75 HZ3 LYS 10 HZ3 LYS 10 3.239 -17.499 -17.872 76 H ASN 11 H ASN 11 2.235 -12.493 -14.184 77 HA ASN 11 HA ASN 11 3.692 -11.844 -12.555 78 HB2 ASN 11 HB2 ASN 11 3.120 -14.389 -12.100 79 HB3 ASN 11 HB3 ASN 11 4.831 -14.604 -12.454 80 HD21 ASN 11 HD21 ASN 11 6.371 -13.567 -11.123 81 HD22 ASN 11 HD22 ASN 11 5.973 -13.093 -9.510 82 H CYS 12 H CYS 12 4.634 -11.819 -15.376 83 HA CYS 12 HA CYS 12 7.511 -12.237 -15.051 84 HB2 CYS 12 HB2 CYS 12 5.851 -11.568 -17.489 85 HB3 CYS 12 HB3 CYS 12 7.601 -11.762 -17.501 86 H ALA 13 H ALA 13 8.963 -10.615 -14.941 87 HA ALA 13 HA ALA 13 8.166 -8.039 -14.181 88 HB1 ALA 13 HB1 ALA 13 10.284 -7.967 -13.530 89 HB2 ALA 13 HB2 ALA 13 10.595 -9.478 -14.385 90 HB3 ALA 13 HB3 ALA 13 10.816 -7.935 -15.212 91 H TYR 14 H TYR 14 7.984 -6.120 -15.250 92 HA TYR 14 HA TYR 14 7.352 -6.185 -18.008 93 HB2 TYR 14 HB2 TYR 14 7.459 -4.134 -15.879 94 HB3 TYR 14 HB3 TYR 14 7.631 -3.538 -17.526 95 HD1 TYR 14 HD1 TYR 14 5.612 -2.478 -17.998 96 HD2 TYR 14 HD2 TYR 14 5.555 -6.348 -16.230 97 HE1 TYR 14 HE1 TYR 14 3.171 -2.569 -18.288 98 HE2 TYR 14 HE2 TYR 14 3.115 -6.450 -16.517 99 HH TYR 14 HH TYR 14 1.327 -3.765 -18.009 100 H PHE 15 H PHE 15 9.056 -6.833 -19.264 101 HA PHE 15 HA PHE 15 11.693 -5.811 -19.005 102 HB2 PHE 15 HB2 PHE 15 10.551 -7.023 -21.516 103 HB3 PHE 15 HB3 PHE 15 12.215 -7.067 -20.943 104 HD1 PHE 15 HD1 PHE 15 9.867 -9.223 -21.664 105 HD2 PHE 15 HD2 PHE 15 11.910 -7.908 -18.169 106 HE1 PHE 15 HE1 PHE 15 9.437 -11.398 -20.598 107 HE2 PHE 15 HE2 PHE 15 11.484 -10.081 -17.098 108 HZ PHE 15 HZ PHE 15 10.246 -11.830 -18.313 109 H CYS 16 H CYS 16 11.124 -3.511 -18.909 110 HA CYS 16 HA CYS 16 10.195 -2.223 -21.314 111 HB2 CYS 16 HB2 CYS 16 10.597 -0.128 -20.062 112 HB3 CYS 16 HB3 CYS 16 9.613 -1.270 -19.152 113 H GLY 17 H GLY 17 11.659 -0.051 -21.731 114 HA2 GLY 17 HA2 GLY 17 14.470 -0.819 -21.971 115 HA3 GLY 17 HA3 GLY 17 13.587 -0.530 -23.463 116 H ARG 18 H ARG 18 11.959 1.601 -22.258 117 HA ARG 18 HA ARG 18 14.032 3.694 -22.157 118 HB2 ARG 18 HB2 ARG 18 11.471 3.489 -23.617 119 HB3 ARG 18 HB3 ARG 18 11.799 5.051 -22.880 120 HG2 ARG 18 HG2 ARG 18 13.976 3.806 -24.456 121 HG3 ARG 18 HG3 ARG 18 12.583 4.438 -25.337 122 HD2 ARG 18 HD2 ARG 18 12.969 6.529 -23.790 123 HD3 ARG 18 HD3 ARG 18 14.603 5.874 -23.681 124 HE ARG 18 HE ARG 18 13.448 7.220 -25.908 125 HH11 ARG 18 HH11 ARG 18 15.695 4.713 -25.024 126 HH12 ARG 18 HH12 ARG 18 16.641 4.871 -26.466 127 HH21 ARG 18 HH21 ARG 18 14.685 7.438 -27.812 128 HH22 ARG 18 HH22 ARG 18 16.067 6.422 -28.051 129 H ASN 19 H ASN 19 14.012 5.130 -20.513 130 HA ASN 19 HA ASN 19 12.750 4.562 -18.114 131 HB2 ASN 19 HB2 ASN 19 13.765 7.241 -19.091 132 HB3 ASN 19 HB3 ASN 19 13.409 6.840 -17.414 133 HD21 ASN 19 HD21 ASN 19 15.784 7.683 -17.580 134 HD22 ASN 19 HD22 ASN 19 16.980 6.439 -17.647 135 H ALA 20 H ALA 20 11.899 7.135 -20.432 136 HA ALA 20 HA ALA 20 9.672 8.157 -19.187 137 HB1 ALA 20 HB1 ALA 20 9.061 9.099 -21.238 138 HB2 ALA 20 HB2 ALA 20 10.810 8.905 -21.355 139 HB3 ALA 20 HB3 ALA 20 9.739 7.758 -22.160 140 H TYR 21 H TYR 21 9.814 5.384 -21.405 141 HA TYR 21 HA TYR 21 7.116 4.805 -21.578 142 HB2 TYR 21 HB2 TYR 21 8.493 3.564 -23.001 143 HB3 TYR 21 HB3 TYR 21 9.579 3.092 -21.698 144 HD1 TYR 21 HD1 TYR 21 6.420 2.365 -23.396 145 HD2 TYR 21 HD2 TYR 21 9.025 1.233 -20.228 146 HE1 TYR 21 HE1 TYR 21 5.216 0.232 -23.176 147 HE2 TYR 21 HE2 TYR 21 7.828 -0.903 -20.000 148 HH TYR 21 HH TYR 21 6.034 -2.247 -22.163 149 H CYS 22 H CYS 22 9.460 3.535 -19.218 150 HA CYS 22 HA CYS 22 7.686 1.971 -17.740 151 HB2 CYS 22 HB2 CYS 22 10.360 3.143 -17.306 152 HB3 CYS 22 HB3 CYS 22 9.462 2.769 -15.839 153 H ASP 23 H ASP 23 8.651 5.357 -17.273 154 HA ASP 23 HA ASP 23 7.279 5.911 -14.939 155 HB2 ASP 23 HB2 ASP 23 8.853 7.448 -16.159 156 HB3 ASP 23 HB3 ASP 23 7.539 7.814 -17.273 157 H GLU 24 H GLU 24 6.077 5.778 -18.247 158 HA GLU 24 HA GLU 24 3.505 6.838 -17.692 159 HB2 GLU 24 HB2 GLU 24 4.360 6.822 -19.957 160 HB3 GLU 24 HB3 GLU 24 4.482 5.069 -19.938 161 HG2 GLU 24 HG2 GLU 24 2.120 4.821 -19.919 162 HG3 GLU 24 HG3 GLU 24 1.882 6.545 -19.642 163 H GLU 25 H GLU 25 4.534 3.479 -18.327 164 HA GLU 25 HA GLU 25 2.100 2.266 -17.703 165 HB2 GLU 25 HB2 GLU 25 4.757 0.965 -17.159 166 HB3 GLU 25 HB3 GLU 25 3.259 0.213 -17.690 167 HG2 GLU 25 HG2 GLU 25 5.234 1.803 -19.267 168 HG3 GLU 25 HG3 GLU 25 4.570 0.204 -19.595 169 H CYS 26 H CYS 26 4.699 3.371 -15.646 170 HA CYS 26 HA CYS 26 3.984 1.990 -13.295 171 HB2 CYS 26 HB2 CYS 26 5.590 4.444 -13.893 172 HB3 CYS 26 HB3 CYS 26 5.173 4.078 -12.223 173 H LYS 27 H LYS 27 3.567 5.483 -13.867 174 HA LYS 27 HA LYS 27 1.749 5.941 -11.830 175 HB2 LYS 27 HB2 LYS 27 2.804 7.793 -12.921 176 HB3 LYS 27 HB3 LYS 27 2.117 7.344 -14.477 177 HG2 LYS 27 HG2 LYS 27 -0.022 8.066 -13.872 178 HG3 LYS 27 HG3 LYS 27 0.379 8.096 -12.153 179 HD2 LYS 27 HD2 LYS 27 2.124 9.886 -12.853 180 HD3 LYS 27 HD3 LYS 27 1.139 10.028 -14.311 181 HE2 LYS 27 HE2 LYS 27 0.220 10.415 -11.465 182 HE3 LYS 27 HE3 LYS 27 0.439 11.672 -12.681 183 HZ1 LYS 27 HZ1 LYS 27 -1.670 11.355 -13.229 184 HZ2 LYS 27 HZ2 LYS 27 -1.258 9.822 -13.815 185 HZ3 LYS 27 HZ3 LYS 27 -1.806 10.000 -12.224 186 H LYS 28 H LYS 28 1.186 4.852 -15.129 187 HA LYS 28 HA LYS 28 -1.609 5.118 -15.172 188 HB2 LYS 28 HB2 LYS 28 0.313 3.343 -16.655 189 HB3 LYS 28 HB3 LYS 28 -1.422 3.211 -16.906 190 HG2 LYS 28 HG2 LYS 28 -0.479 5.953 -17.074 191 HG3 LYS 28 HG3 LYS 28 0.298 4.887 -18.248 192 HD2 LYS 28 HD2 LYS 28 -2.685 5.007 -17.842 193 HD3 LYS 28 HD3 LYS 28 -1.828 6.001 -19.023 194 HE2 LYS 28 HE2 LYS 28 -2.146 4.296 -20.434 195 HE3 LYS 28 HE3 LYS 28 -0.858 3.489 -19.540 196 HZ1 LYS 28 HZ1 LYS 28 -3.474 2.651 -19.821 197 HZ2 LYS 28 HZ2 LYS 28 -2.288 1.979 -18.818 198 HZ3 LYS 28 HZ3 LYS 28 -3.338 3.161 -18.214 199 H LYS 29 H LYS 29 0.462 2.788 -13.670 200 HA LYS 29 HA LYS 29 -1.754 0.950 -13.175 201 HB2 LYS 29 HB2 LYS 29 1.214 0.795 -12.941 202 HB3 LYS 29 HB3 LYS 29 0.249 -0.241 -11.897 203 HG2 LYS 29 HG2 LYS 29 -0.957 -0.863 -14.132 204 HG3 LYS 29 HG3 LYS 29 0.539 -0.275 -14.861 205 HD2 LYS 29 HD2 LYS 29 1.695 -1.821 -13.127 206 HD3 LYS 29 HD3 LYS 29 0.114 -2.599 -13.020 207 HE2 LYS 29 HE2 LYS 29 1.688 -2.194 -15.561 208 HE3 LYS 29 HE3 LYS 29 1.612 -3.697 -14.643 209 HZ1 LYS 29 HZ1 LYS 29 -0.625 -2.335 -16.038 210 HZ2 LYS 29 HZ2 LYS 29 0.059 -3.835 -16.419 211 HZ3 LYS 29 HZ3 LYS 29 -0.833 -3.651 -14.994 212 H GLY 30 H GLY 30 -1.475 3.682 -11.952 213 HA2 GLY 30 HA2 GLY 30 -2.354 4.434 -9.915 214 HA3 GLY 30 HA3 GLY 30 -2.076 2.839 -9.231 215 H ALA 31 H ALA 31 0.733 2.873 -10.261 216 HA ALA 31 HA ALA 31 2.084 3.602 -7.990 217 HB1 ALA 31 HB1 ALA 31 3.407 3.946 -10.650 218 HB2 ALA 31 HB2 ALA 31 4.053 3.266 -9.156 219 HB3 ALA 31 HB3 ALA 31 2.890 2.348 -10.112 220 H GLU 32 H GLU 32 3.726 5.359 -7.725 221 HA GLU 32 HA GLU 32 2.469 7.919 -8.342 222 HB2 GLU 32 HB2 GLU 32 3.302 7.166 -6.005 223 HB3 GLU 32 HB3 GLU 32 4.901 7.564 -6.616 224 HG2 GLU 32 HG2 GLU 32 4.233 9.848 -7.001 225 HG3 GLU 32 HG3 GLU 32 2.579 9.475 -6.520 226 H SER 33 H SER 33 5.391 6.104 -8.979 227 HA SER 33 HA SER 33 6.023 7.415 -11.340 228 HB2 SER 33 HB2 SER 33 6.909 8.838 -8.953 229 HB3 SER 33 HB3 SER 33 8.247 8.439 -10.030 230 HG SER 33 HG SER 33 7.308 10.434 -10.589 231 H GLY 34 H GLY 34 8.052 6.719 -12.265 232 HA2 GLY 34 HA2 GLY 34 9.823 4.988 -10.855 233 HA3 GLY 34 HA3 GLY 34 8.674 4.064 -11.811 234 H TYR 35 H TYR 35 10.547 3.287 -12.977 235 HA TYR 35 HA TYR 35 10.936 4.625 -15.421 236 HB2 TYR 35 HB2 TYR 35 13.482 4.941 -15.072 237 HB3 TYR 35 HB3 TYR 35 12.390 6.169 -14.442 238 HD1 TYR 35 HD1 TYR 35 13.427 2.845 -13.089 239 HD2 TYR 35 HD2 TYR 35 13.340 7.062 -12.532 240 HE1 TYR 35 HE1 TYR 35 14.410 2.563 -10.852 241 HE2 TYR 35 HE2 TYR 35 14.324 6.792 -10.294 242 HH TYR 35 HH TYR 35 14.729 3.650 -8.831 243 H CYS 36 H CYS 36 13.167 3.623 -16.438 244 HA CYS 36 HA CYS 36 12.754 0.738 -16.215 245 HB2 CYS 36 HB2 CYS 36 12.819 2.183 -18.426 246 HB3 CYS 36 HB3 CYS 36 14.558 1.963 -18.259 247 H GLN 37 H GLN 37 13.982 -0.192 -14.704 248 HA GLN 37 HA GLN 37 16.867 0.369 -14.748 249 HB2 GLN 37 HB2 GLN 37 15.761 1.490 -12.805 250 HB3 GLN 37 HB3 GLN 37 15.258 -0.095 -12.233 251 HG2 GLN 37 HG2 GLN 37 17.218 -0.448 -11.272 252 HG3 GLN 37 HG3 GLN 37 18.083 -0.064 -12.759 253 HE21 GLN 37 HE21 GLN 37 16.123 1.762 -10.426 254 HE22 GLN 37 HE22 GLN 37 17.279 3.023 -10.185 255 H TRP 38 H TRP 38 18.190 -1.380 -14.564 256 HA TRP 38 HA TRP 38 17.281 -3.895 -15.290 257 HB2 TRP 38 HB2 TRP 38 19.517 -4.716 -14.546 258 HB3 TRP 38 HB3 TRP 38 19.599 -3.289 -15.574 259 HD1 TRP 38 HD1 TRP 38 19.213 -3.657 -11.719 260 HE1 TRP 38 HE1 TRP 38 20.980 -2.150 -10.608 261 HE3 TRP 38 HE3 TRP 38 21.498 -1.852 -15.921 262 HZ2 TRP 38 HZ2 TRP 38 23.066 -0.425 -11.407 263 HZ3 TRP 38 HZ3 TRP 38 23.371 -0.277 -15.661 264 HH2 TRP 38 HH2 TRP 38 24.137 0.421 -13.450 265 H ALA 39 H ALA 39 17.828 -5.928 -13.894 266 HA ALA 39 HA ALA 39 16.939 -5.558 -11.124 267 HB1 ALA 39 HB1 ALA 39 15.678 -7.484 -13.072 268 HB2 ALA 39 HB2 ALA 39 15.346 -7.419 -11.341 269 HB3 ALA 39 HB3 ALA 39 14.922 -6.053 -12.373 270 H GLY 40 H GLY 40 18.222 -7.780 -13.572 271 HA2 GLY 40 HA2 GLY 40 20.369 -8.849 -13.051 272 HA3 GLY 40 HA3 GLY 40 19.766 -9.086 -11.417 273 H GLN 41 H GLN 41 18.091 -10.643 -11.064 274 HA GLN 41 HA GLN 41 18.484 -13.061 -12.396 275 HB2 GLN 41 HB2 GLN 41 17.491 -12.679 -10.084 276 HB3 GLN 41 HB3 GLN 41 15.970 -12.338 -10.897 277 HG2 GLN 41 HG2 GLN 41 15.764 -14.564 -10.337 278 HG3 GLN 41 HG3 GLN 41 16.306 -14.634 -12.013 279 HE21 GLN 41 HE21 GLN 41 16.747 -16.875 -11.007 280 HE22 GLN 41 HE22 GLN 41 18.352 -17.114 -10.415 281 H TYR 42 H TYR 42 15.881 -10.674 -12.739 282 HA TYR 42 HA TYR 42 14.899 -12.136 -15.089 283 HB2 TYR 42 HB2 TYR 42 13.267 -9.873 -14.396 284 HB3 TYR 42 HB3 TYR 42 12.846 -11.582 -14.400 285 HD1 TYR 42 HD1 TYR 42 13.580 -12.952 -12.320 286 HD2 TYR 42 HD2 TYR 42 13.329 -8.706 -12.387 287 HE1 TYR 42 HE1 TYR 42 13.440 -12.928 -9.864 288 HE2 TYR 42 HE2 TYR 42 13.189 -8.669 -9.932 289 HH TYR 42 HH TYR 42 12.834 -9.952 -8.089 290 H GLY 43 H GLY 43 17.326 -10.493 -15.091 291 HA2 GLY 43 HA2 GLY 43 18.349 -8.894 -16.384 292 HA3 GLY 43 HA3 GLY 43 17.075 -9.233 -17.548 293 H ASN 44 H ASN 44 16.301 -7.352 -18.240 294 HA ASN 44 HA ASN 44 16.196 -5.044 -16.503 295 HB2 ASN 44 HB2 ASN 44 15.443 -5.479 -19.395 296 HB3 ASN 44 HB3 ASN 44 15.211 -3.942 -18.566 297 HD21 ASN 44 HD21 ASN 44 17.372 -3.496 -17.167 298 HD22 ASN 44 HD22 ASN 44 18.796 -3.486 -18.145 299 H ALA 45 H ALA 45 14.526 -4.519 -15.268 300 HA ALA 45 HA ALA 45 11.831 -5.379 -16.073 301 HB1 ALA 45 HB1 ALA 45 11.359 -5.771 -13.621 302 HB2 ALA 45 HB2 ALA 45 12.409 -6.952 -14.406 303 HB3 ALA 45 HB3 ALA 45 13.103 -5.708 -13.367 304 H CYS 46 H CYS 46 10.229 -3.911 -15.755 305 HA CYS 46 HA CYS 46 10.926 -1.198 -15.385 306 HB2 CYS 46 HB2 CYS 46 8.918 -2.246 -16.660 307 HB3 CYS 46 HB3 CYS 46 8.116 -2.220 -15.093 308 H TRP 47 H TRP 47 11.181 -0.057 -13.588 309 HA TRP 47 HA TRP 47 10.262 -1.218 -11.052 310 HB2 TRP 47 HB2 TRP 47 12.592 -0.841 -10.955 311 HB3 TRP 47 HB3 TRP 47 12.453 0.734 -11.733 312 HD1 TRP 47 HD1 TRP 47 11.427 2.753 -10.188 313 HE1 TRP 47 HE1 TRP 47 11.556 3.114 -7.643 314 HE3 TRP 47 HE3 TRP 47 12.656 -1.998 -8.756 315 HZ2 TRP 47 HZ2 TRP 47 12.106 1.587 -5.333 316 HZ3 TRP 47 HZ3 TRP 47 12.966 -2.465 -6.360 317 HH2 TRP 47 HH2 TRP 47 12.697 -0.708 -4.686 318 H CYS 48 H CYS 48 8.900 -0.146 -9.704 319 HA CYS 48 HA CYS 48 8.058 2.565 -10.466 320 HB2 CYS 48 HB2 CYS 48 6.237 0.246 -9.792 321 HB3 CYS 48 HB3 CYS 48 5.705 1.918 -9.933 322 H TYR 49 H TYR 49 6.910 3.708 -8.718 323 HA TYR 49 HA TYR 49 7.960 2.893 -6.091 324 HB2 TYR 49 HB2 TYR 49 7.535 5.569 -7.367 325 HB3 TYR 49 HB3 TYR 49 7.500 5.431 -5.613 326 HD1 TYR 49 HD1 TYR 49 9.570 5.783 -8.487 327 HD2 TYR 49 HD2 TYR 49 9.542 4.332 -4.487 328 HE1 TYR 49 HE1 TYR 49 12.027 5.890 -8.437 329 HE2 TYR 49 HE2 TYR 49 11.998 4.436 -4.426 330 HH TYR 49 HH TYR 49 13.812 5.932 -5.807 331 H LYS 50 H LYS 50 6.645 2.956 -4.285 332 HA LYS 50 HA LYS 50 4.684 2.491 -3.197 333 HB2 LYS 50 HB2 LYS 50 3.771 4.970 -4.665 334 HB3 LYS 50 HB3 LYS 50 3.124 4.345 -3.154 335 HG2 LYS 50 HG2 LYS 50 5.989 4.827 -3.037 336 HG3 LYS 50 HG3 LYS 50 5.057 6.278 -3.413 337 HD2 LYS 50 HD2 LYS 50 5.095 6.290 -1.095 338 HD3 LYS 50 HD3 LYS 50 3.548 5.517 -1.446 339 HE2 LYS 50 HE2 LYS 50 4.316 4.002 0.050 340 HE3 LYS 50 HE3 LYS 50 5.110 3.346 -1.381 341 HZ1 LYS 50 HZ1 LYS 50 7.060 3.692 -0.427 342 HZ2 LYS 50 HZ2 LYS 50 6.740 5.347 -0.280 343 HZ3 LYS 50 HZ3 LYS 50 6.297 4.285 0.961 344 H LEU 51 H LEU 51 4.693 0.710 -5.057 345 HA LEU 51 HA LEU 51 2.567 0.920 -6.965 346 HB2 LEU 51 HB2 LEU 51 4.437 -1.227 -6.080 347 HB3 LEU 51 HB3 LEU 51 3.009 -1.667 -7.014 348 HG LEU 51 HG LEU 51 5.215 0.191 -7.901 349 HD11 LEU 51 HD11 LEU 51 6.183 -1.539 -8.933 350 HD12 LEU 51 HD12 LEU 51 5.250 -2.539 -7.819 351 HD13 LEU 51 HD13 LEU 51 4.639 -2.222 -9.442 352 HD21 LEU 51 HD21 LEU 51 4.051 0.124 -10.080 353 HD22 LEU 51 HD22 LEU 51 2.716 -0.735 -9.312 354 HD23 LEU 51 HD23 LEU 51 3.103 0.913 -8.819 355 HA PRO 52 HA PRO 52 -0.844 -0.325 -4.487 356 HB2 PRO 52 HB2 PRO 52 -2.411 -1.462 -6.390 357 HB3 PRO 52 HB3 PRO 52 -2.173 0.285 -6.260 358 HG2 PRO 52 HG2 PRO 52 -0.850 -1.675 -8.095 359 HG3 PRO 52 HG3 PRO 52 -1.478 -0.056 -8.453 360 HD2 PRO 52 HD2 PRO 52 1.156 -0.541 -8.058 361 HD3 PRO 52 HD3 PRO 52 0.390 0.994 -7.603 362 H ASP 53 H ASP 53 -1.287 -2.023 -3.217 363 HA ASP 53 HA ASP 53 0.137 -4.376 -3.223 364 HB2 ASP 53 HB2 ASP 53 -1.550 -3.305 -1.478 365 HB3 ASP 53 HB3 ASP 53 -2.668 -4.456 -2.206 366 H LYS 54 H LYS 54 -2.654 -3.539 -5.094 367 HA LYS 54 HA LYS 54 -3.481 -6.172 -5.766 368 HB2 LYS 54 HB2 LYS 54 -4.923 -5.160 -7.348 369 HB3 LYS 54 HB3 LYS 54 -4.841 -4.042 -5.993 370 HG2 LYS 54 HG2 LYS 54 -4.518 -2.523 -7.612 371 HG3 LYS 54 HG3 LYS 54 -2.844 -3.077 -7.518 372 HD2 LYS 54 HD2 LYS 54 -3.536 -3.024 -9.828 373 HD3 LYS 54 HD3 LYS 54 -3.328 -4.703 -9.324 374 HE2 LYS 54 HE2 LYS 54 -6.029 -3.739 -8.871 375 HE3 LYS 54 HE3 LYS 54 -5.552 -3.613 -10.563 376 HZ1 LYS 54 HZ1 LYS 54 -4.679 -6.084 -9.782 377 HZ2 LYS 54 HZ2 LYS 54 -6.188 -5.935 -9.031 378 HZ3 LYS 54 HZ3 LYS 54 -6.056 -5.757 -10.709 379 H VAL 55 H VAL 55 -1.137 -3.937 -7.101 380 HA VAL 55 HA VAL 55 -0.661 -5.591 -9.436 381 HB VAL 55 HB VAL 55 0.547 -3.016 -8.454 382 HG11 VAL 55 HG11 VAL 55 2.410 -4.177 -9.361 383 HG12 VAL 55 HG12 VAL 55 1.464 -4.759 -10.731 384 HG13 VAL 55 HG13 VAL 55 1.863 -3.046 -10.599 385 HG21 VAL 55 HG21 VAL 55 -1.039 -3.775 -10.904 386 HG22 VAL 55 HG22 VAL 55 -1.593 -2.802 -9.541 387 HG23 VAL 55 HG23 VAL 55 -0.338 -2.183 -10.614 388 HA PRO 56 HA PRO 56 2.263 -8.027 -7.055 389 HB2 PRO 56 HB2 PRO 56 2.703 -9.848 -9.020 390 HB3 PRO 56 HB3 PRO 56 1.272 -9.881 -7.982 391 HG2 PRO 56 HG2 PRO 56 1.572 -8.813 -10.763 392 HG3 PRO 56 HG3 PRO 56 0.256 -9.779 -10.072 393 HD2 PRO 56 HD2 PRO 56 0.079 -7.097 -10.396 394 HD3 PRO 56 HD3 PRO 56 -0.725 -7.953 -9.064 395 H ILE 57 H ILE 57 4.510 -8.568 -7.261 396 HA ILE 57 HA ILE 57 5.916 -7.047 -9.358 397 HB ILE 57 HB ILE 57 7.711 -6.589 -7.738 398 HG12 ILE 57 HG12 ILE 57 6.078 -7.152 -5.372 399 HG13 ILE 57 HG13 ILE 57 6.554 -8.602 -6.250 400 HG21 ILE 57 HG21 ILE 57 5.338 -5.281 -8.020 401 HG22 ILE 57 HG22 ILE 57 5.425 -5.497 -6.272 402 HG23 ILE 57 HG23 ILE 57 6.729 -4.670 -7.125 403 HD11 ILE 57 HD11 ILE 57 8.921 -7.562 -6.178 404 HD12 ILE 57 HD12 ILE 57 8.258 -6.581 -4.871 405 HD13 ILE 57 HD13 ILE 57 8.267 -8.339 -4.736 406 H LYS 58 H LYS 58 7.843 -7.917 -10.152 407 HA LYS 58 HA LYS 58 7.954 -10.748 -10.255 408 HB2 LYS 58 HB2 LYS 58 8.686 -9.404 -12.139 409 HB3 LYS 58 HB3 LYS 58 9.940 -8.655 -11.160 410 HG2 LYS 58 HG2 LYS 58 10.953 -10.297 -12.563 411 HG3 LYS 58 HG3 LYS 58 10.995 -10.888 -10.901 412 HD2 LYS 58 HD2 LYS 58 9.140 -12.354 -11.313 413 HD3 LYS 58 HD3 LYS 58 8.887 -11.658 -12.916 414 HE2 LYS 58 HE2 LYS 58 11.388 -12.413 -13.262 415 HE3 LYS 58 HE3 LYS 58 10.994 -13.536 -11.962 416 HZ1 LYS 58 HZ1 LYS 58 9.360 -13.270 -14.421 417 HZ2 LYS 58 HZ2 LYS 58 10.617 -14.391 -14.264 418 HZ3 LYS 58 HZ3 LYS 58 9.269 -14.484 -13.246 419 H VAL 59 H VAL 59 8.887 -12.134 -8.909 420 HA VAL 59 HA VAL 59 11.264 -11.346 -7.411 421 HB VAL 59 HB VAL 59 10.293 -12.350 -5.312 422 HG11 VAL 59 HG11 VAL 59 8.588 -10.014 -5.846 423 HG12 VAL 59 HG12 VAL 59 9.786 -10.282 -4.580 424 HG13 VAL 59 HG13 VAL 59 10.302 -9.793 -6.194 425 HG21 VAL 59 HG21 VAL 59 8.145 -12.923 -7.052 426 HG22 VAL 59 HG22 VAL 59 8.270 -13.266 -5.326 427 HG23 VAL 59 HG23 VAL 59 7.559 -11.748 -5.874 428 H SER 60 H SER 60 12.652 -12.849 -8.097 429 HA SER 60 HA SER 60 13.545 -14.862 -8.697 430 HB2 SER 60 HB2 SER 60 13.429 -15.171 -6.271 431 HB3 SER 60 HB3 SER 60 11.782 -15.783 -6.414 432 HG SER 60 HG SER 60 14.206 -16.996 -7.109 433 H GLY 61 H GLY 61 10.997 -14.045 -9.986 434 HA2 GLY 61 HA2 GLY 61 9.481 -16.451 -10.410 435 HA3 GLY 61 HA3 GLY 61 9.296 -14.934 -11.277 436 H LYS 62 H LYS 62 9.002 -16.959 -12.853 437 HA LYS 62 HA LYS 62 11.570 -17.209 -14.271 438 HB2 LYS 62 HB2 LYS 62 10.732 -19.327 -13.077 439 HB3 LYS 62 HB3 LYS 62 9.470 -19.367 -14.302 440 HG2 LYS 62 HG2 LYS 62 11.047 -19.660 -16.045 441 HG3 LYS 62 HG3 LYS 62 12.400 -19.303 -14.969 442 HD2 LYS 62 HD2 LYS 62 12.372 -21.655 -15.244 443 HD3 LYS 62 HD3 LYS 62 11.714 -21.338 -13.637 444 HE2 LYS 62 HE2 LYS 62 9.838 -21.535 -15.942 445 HE3 LYS 62 HE3 LYS 62 10.539 -23.017 -15.294 446 HZ1 LYS 62 HZ1 LYS 62 8.398 -21.529 -14.281 447 HZ2 LYS 62 HZ2 LYS 62 9.065 -22.956 -13.664 448 HZ3 LYS 62 HZ3 LYS 62 9.653 -21.456 -13.149 449 H CYS 63 H CYS 63 11.529 -16.571 -16.330 450 HA CYS 63 HA CYS 63 9.175 -16.806 -17.964 451 HB2 CYS 63 HB2 CYS 63 9.071 -14.601 -16.498 452 HB3 CYS 63 HB3 CYS 63 10.166 -13.998 -17.738 453 H ASN 64 H ASN 64 9.616 -16.623 -20.155 454 HA ASN 64 HA ASN 64 12.358 -16.979 -20.891 455 HB2 ASN 64 HB2 ASN 64 9.830 -16.779 -22.537 456 HB3 ASN 64 HB3 ASN 64 11.417 -17.116 -23.222 457 HD21 ASN 64 HD21 ASN 64 12.540 -18.856 -21.569 458 HD22 ASN 64 HD22 ASN 64 11.605 -20.303 -21.444 Start of MODEL 3 1 H1 VAL 1 H VAL 1 1.749 0.067 0.788 2 HA VAL 1 HA VAL 1 1.553 -0.591 -2.009 3 HB VAL 1 HB VAL 1 2.909 1.514 -2.631 4 HG11 VAL 1 HG11 VAL 1 0.592 0.970 -3.366 5 HG12 VAL 1 HG12 VAL 1 -0.011 1.874 -1.977 6 HG13 VAL 1 HG13 VAL 1 0.913 2.699 -3.232 7 HG21 VAL 1 HG21 VAL 1 2.592 3.468 -1.317 8 HG22 VAL 1 HG22 VAL 1 1.454 2.645 -0.250 9 HG23 VAL 1 HG23 VAL 1 3.162 2.206 -0.224 10 H ARG 2 H ARG 2 3.810 -0.450 -3.045 11 HA ARG 2 HA ARG 2 6.075 -0.527 -1.300 12 HB2 ARG 2 HB2 ARG 2 6.644 -2.891 -1.636 13 HB3 ARG 2 HB3 ARG 2 5.129 -2.712 -0.761 14 HG2 ARG 2 HG2 ARG 2 3.928 -3.699 -2.377 15 HG3 ARG 2 HG3 ARG 2 4.854 -2.939 -3.673 16 HD2 ARG 2 HD2 ARG 2 5.942 -4.847 -3.992 17 HD3 ARG 2 HD3 ARG 2 6.584 -4.739 -2.354 18 HE ARG 2 HE ARG 2 4.461 -6.443 -3.277 19 HH11 ARG 2 HH11 ARG 2 5.864 -4.851 -0.518 20 HH12 ARG 2 HH12 ARG 2 5.191 -5.962 0.629 21 HH21 ARG 2 HH21 ARG 2 3.570 -7.912 -1.777 22 HH22 ARG 2 HH22 ARG 2 3.887 -7.703 -0.088 23 H ASP 3 H ASP 3 8.043 -0.609 -2.421 24 HA ASP 3 HA ASP 3 7.797 0.012 -5.261 25 HB2 ASP 3 HB2 ASP 3 10.425 0.102 -3.857 26 HB3 ASP 3 HB3 ASP 3 9.764 1.187 -5.077 27 H GLY 4 H GLY 4 8.692 -1.170 -6.890 28 HA2 GLY 4 HA2 GLY 4 10.707 -3.023 -6.815 29 HA3 GLY 4 HA3 GLY 4 9.276 -3.923 -6.338 30 H TYR 5 H TYR 5 10.249 -4.967 -8.446 31 HA TYR 5 HA TYR 5 9.559 -3.694 -10.912 32 HB2 TYR 5 HB2 TYR 5 10.230 -6.585 -10.325 33 HB3 TYR 5 HB3 TYR 5 10.118 -5.873 -11.931 34 HD1 TYR 5 HD1 TYR 5 11.451 -3.202 -11.099 35 HD2 TYR 5 HD2 TYR 5 12.518 -7.282 -10.532 36 HE1 TYR 5 HE1 TYR 5 13.823 -2.559 -10.981 37 HE2 TYR 5 HE2 TYR 5 14.892 -6.650 -10.411 38 HH TYR 5 HH TYR 5 16.266 -4.733 -9.948 39 H ILE 6 H ILE 6 7.689 -3.716 -11.985 40 HA ILE 6 HA ILE 6 5.384 -4.958 -10.785 41 HB ILE 6 HB ILE 6 4.075 -3.706 -12.225 42 HG12 ILE 6 HG12 ILE 6 6.423 -3.679 -14.129 43 HG13 ILE 6 HG13 ILE 6 4.903 -4.543 -14.334 44 HG21 ILE 6 HG21 ILE 6 6.283 -1.803 -12.539 45 HG22 ILE 6 HG22 ILE 6 4.735 -1.623 -11.713 46 HG23 ILE 6 HG23 ILE 6 6.078 -2.432 -10.904 47 HD11 ILE 6 HD11 ILE 6 4.355 -1.772 -13.963 48 HD12 ILE 6 HD12 ILE 6 5.575 -1.964 -15.222 49 HD13 ILE 6 HD13 ILE 6 4.026 -2.797 -15.360 50 H ALA 7 H ALA 7 4.044 -6.520 -11.719 51 HA ALA 7 HA ALA 7 5.306 -8.114 -13.855 52 HB1 ALA 7 HB1 ALA 7 4.226 -10.092 -12.827 53 HB2 ALA 7 HB2 ALA 7 5.409 -9.318 -11.773 54 HB3 ALA 7 HB3 ALA 7 3.685 -9.067 -11.498 55 H ASP 8 H ASP 8 3.829 -9.332 -15.224 56 HA ASP 8 HA ASP 8 1.405 -7.788 -15.765 57 HB2 ASP 8 HB2 ASP 8 1.408 -8.971 -17.942 58 HB3 ASP 8 HB3 ASP 8 2.911 -8.101 -17.648 59 H ASP 9 H ASP 9 -0.153 -9.575 -17.094 60 HA ASP 9 HA ASP 9 -1.563 -10.852 -15.059 61 HB2 ASP 9 HB2 ASP 9 -2.774 -12.021 -16.897 62 HB3 ASP 9 HB3 ASP 9 -2.642 -10.282 -17.146 63 H LYS 10 H LYS 10 1.211 -11.873 -16.810 64 HA LYS 10 HA LYS 10 0.870 -14.649 -15.919 65 HB2 LYS 10 HB2 LYS 10 2.859 -13.445 -17.854 66 HB3 LYS 10 HB3 LYS 10 2.757 -15.151 -17.437 67 HG2 LYS 10 HG2 LYS 10 0.181 -14.327 -18.256 68 HG3 LYS 10 HG3 LYS 10 1.341 -13.713 -19.436 69 HD2 LYS 10 HD2 LYS 10 2.294 -15.978 -19.638 70 HD3 LYS 10 HD3 LYS 10 1.078 -16.573 -18.505 71 HE2 LYS 10 HE2 LYS 10 -0.549 -15.399 -20.250 72 HE3 LYS 10 HE3 LYS 10 0.797 -15.730 -21.338 73 HZ1 LYS 10 HZ1 LYS 10 0.087 -17.806 -21.491 74 HZ2 LYS 10 HZ2 LYS 10 0.348 -18.031 -19.834 75 HZ3 LYS 10 HZ3 LYS 10 -1.162 -17.506 -20.389 76 H ASN 11 H ASN 11 1.637 -12.302 -14.220 77 HA ASN 11 HA ASN 11 3.129 -11.746 -12.589 78 HB2 ASN 11 HB2 ASN 11 2.362 -14.165 -12.035 79 HB3 ASN 11 HB3 ASN 11 3.983 -14.627 -12.546 80 HD21 ASN 11 HD21 ASN 11 5.650 -14.341 -11.191 81 HD22 ASN 11 HD22 ASN 11 5.528 -13.625 -9.623 82 H CYS 12 H CYS 12 4.083 -11.731 -15.384 83 HA CYS 12 HA CYS 12 6.923 -12.365 -15.061 84 HB2 CYS 12 HB2 CYS 12 5.321 -11.562 -17.498 85 HB3 CYS 12 HB3 CYS 12 7.054 -11.877 -17.506 86 H ALA 13 H ALA 13 8.487 -10.847 -14.952 87 HA ALA 13 HA ALA 13 7.866 -8.229 -14.164 88 HB1 ALA 13 HB1 ALA 13 10.141 -9.816 -14.218 89 HB2 ALA 13 HB2 ALA 13 10.534 -8.450 -15.261 90 HB3 ALA 13 HB3 ALA 13 10.017 -8.170 -13.598 91 H TYR 14 H TYR 14 7.758 -6.310 -15.222 92 HA TYR 14 HA TYR 14 7.173 -6.320 -17.992 93 HB2 TYR 14 HB2 TYR 14 7.337 -4.291 -15.841 94 HB3 TYR 14 HB3 TYR 14 7.543 -3.693 -17.484 95 HD1 TYR 14 HD1 TYR 14 5.352 -6.423 -16.201 96 HD2 TYR 14 HD2 TYR 14 5.570 -2.565 -17.982 97 HE1 TYR 14 HE1 TYR 14 2.911 -6.431 -16.503 98 HE2 TYR 14 HE2 TYR 14 3.130 -2.562 -18.288 99 HH TYR 14 HH TYR 14 1.250 -5.271 -18.093 100 H PHE 15 H PHE 15 8.918 -7.089 -19.155 101 HA PHE 15 HA PHE 15 11.564 -6.093 -18.856 102 HB2 PHE 15 HB2 PHE 15 10.479 -7.410 -21.340 103 HB3 PHE 15 HB3 PHE 15 12.127 -7.442 -20.722 104 HD1 PHE 15 HD1 PHE 15 9.751 -9.596 -21.393 105 HD2 PHE 15 HD2 PHE 15 11.766 -8.160 -17.930 106 HE1 PHE 15 HE1 PHE 15 9.269 -11.714 -20.239 107 HE2 PHE 15 HE2 PHE 15 11.288 -10.276 -16.770 108 HZ PHE 15 HZ PHE 15 10.039 -12.057 -17.925 109 H CYS 16 H CYS 16 11.118 -3.792 -18.896 110 HA CYS 16 HA CYS 16 10.297 -2.626 -21.422 111 HB2 CYS 16 HB2 CYS 16 10.547 -0.470 -20.242 112 HB3 CYS 16 HB3 CYS 16 9.510 -1.589 -19.364 113 H GLY 17 H GLY 17 11.705 -0.564 -22.016 114 HA2 GLY 17 HA2 GLY 17 14.563 -1.159 -21.826 115 HA3 GLY 17 HA3 GLY 17 13.848 -1.153 -23.431 116 H ARG 18 H ARG 18 12.391 1.038 -21.286 117 HA ARG 18 HA ARG 18 14.185 3.235 -21.885 118 HB2 ARG 18 HB2 ARG 18 11.715 2.754 -23.376 119 HB3 ARG 18 HB3 ARG 18 11.783 4.354 -22.651 120 HG2 ARG 18 HG2 ARG 18 14.172 3.406 -24.129 121 HG3 ARG 18 HG3 ARG 18 12.744 3.859 -25.061 122 HD2 ARG 18 HD2 ARG 18 12.748 6.010 -23.678 123 HD3 ARG 18 HD3 ARG 18 14.380 5.551 -23.195 124 HE ARG 18 HE ARG 18 13.948 5.566 -26.044 125 HH11 ARG 18 HH11 ARG 18 14.865 7.440 -23.257 126 HH12 ARG 18 HH12 ARG 18 15.753 8.611 -24.174 127 HH21 ARG 18 HH21 ARG 18 15.115 7.101 -27.263 128 HH22 ARG 18 HH22 ARG 18 15.894 8.418 -26.453 129 H ASN 19 H ASN 19 14.071 4.842 -20.397 130 HA ASN 19 HA ASN 19 12.804 4.372 -17.945 131 HB2 ASN 19 HB2 ASN 19 13.883 6.969 -19.065 132 HB3 ASN 19 HB3 ASN 19 13.476 6.687 -17.375 133 HD21 ASN 19 HD21 ASN 19 16.013 7.453 -18.427 134 HD22 ASN 19 HD22 ASN 19 17.132 6.198 -18.031 135 H ALA 20 H ALA 20 12.062 6.904 -20.349 136 HA ALA 20 HA ALA 20 9.805 7.967 -19.216 137 HB1 ALA 20 HB1 ALA 20 9.252 8.844 -21.323 138 HB2 ALA 20 HB2 ALA 20 11.007 8.674 -21.346 139 HB3 ALA 20 HB3 ALA 20 9.996 7.491 -22.175 140 H TYR 21 H TYR 21 9.976 5.148 -21.374 141 HA TYR 21 HA TYR 21 7.280 4.595 -21.618 142 HB2 TYR 21 HB2 TYR 21 8.749 3.329 -22.955 143 HB3 TYR 21 HB3 TYR 21 9.699 2.804 -21.570 144 HD1 TYR 21 HD1 TYR 21 9.044 0.901 -20.266 145 HD2 TYR 21 HD2 TYR 21 6.551 2.309 -23.414 146 HE1 TYR 21 HE1 TYR 21 7.728 -1.173 -20.143 147 HE2 TYR 21 HE2 TYR 21 5.227 0.239 -23.298 148 HH TYR 21 HH TYR 21 6.062 -2.352 -21.016 149 H CYS 22 H CYS 22 9.522 3.241 -19.197 150 HA CYS 22 HA CYS 22 7.640 1.802 -17.731 151 HB2 CYS 22 HB2 CYS 22 10.365 2.847 -17.243 152 HB3 CYS 22 HB3 CYS 22 9.417 2.481 -15.804 153 H ASP 23 H ASP 23 8.844 5.106 -17.194 154 HA ASP 23 HA ASP 23 7.490 5.782 -14.914 155 HB2 ASP 23 HB2 ASP 23 9.099 7.240 -16.154 156 HB3 ASP 23 HB3 ASP 23 7.817 7.602 -17.306 157 H GLU 24 H GLU 24 6.235 5.678 -18.209 158 HA GLU 24 HA GLU 24 3.706 6.816 -17.608 159 HB2 GLU 24 HB2 GLU 24 4.743 6.638 -19.896 160 HB3 GLU 24 HB3 GLU 24 4.354 4.924 -19.870 161 HG2 GLU 24 HG2 GLU 24 1.971 5.498 -19.618 162 HG3 GLU 24 HG3 GLU 24 2.395 7.204 -19.743 163 H GLU 25 H GLU 25 4.644 3.433 -18.254 164 HA GLU 25 HA GLU 25 2.180 2.281 -17.629 165 HB2 GLU 25 HB2 GLU 25 4.804 0.912 -17.088 166 HB3 GLU 25 HB3 GLU 25 3.288 0.200 -17.622 167 HG2 GLU 25 HG2 GLU 25 5.303 1.743 -19.194 168 HG3 GLU 25 HG3 GLU 25 4.600 0.161 -19.525 169 H CYS 26 H CYS 26 4.807 3.322 -15.576 170 HA CYS 26 HA CYS 26 4.055 1.958 -13.224 171 HB2 CYS 26 HB2 CYS 26 5.737 4.361 -13.824 172 HB3 CYS 26 HB3 CYS 26 5.311 4.007 -12.153 173 H LYS 27 H LYS 27 3.738 5.460 -13.811 174 HA LYS 27 HA LYS 27 1.939 5.974 -11.766 175 HB2 LYS 27 HB2 LYS 27 3.071 7.781 -12.878 176 HB3 LYS 27 HB3 LYS 27 2.323 7.372 -14.416 177 HG2 LYS 27 HG2 LYS 27 0.140 8.001 -13.533 178 HG3 LYS 27 HG3 LYS 27 0.878 8.392 -11.977 179 HD2 LYS 27 HD2 LYS 27 2.073 10.214 -12.893 180 HD3 LYS 27 HD3 LYS 27 1.739 9.698 -14.547 181 HE2 LYS 27 HE2 LYS 27 -0.282 10.719 -12.552 182 HE3 LYS 27 HE3 LYS 27 0.356 11.608 -13.934 183 HZ1 LYS 27 HZ1 LYS 27 -0.554 9.426 -15.140 184 HZ2 LYS 27 HZ2 LYS 27 -1.643 9.503 -13.848 185 HZ3 LYS 27 HZ3 LYS 27 -1.494 10.813 -14.908 186 H LYS 28 H LYS 28 1.350 4.881 -15.056 187 HA LYS 28 HA LYS 28 -1.441 5.241 -15.096 188 HB2 LYS 28 HB2 LYS 28 0.427 3.426 -16.600 189 HB3 LYS 28 HB3 LYS 28 -1.312 3.350 -16.848 190 HG2 LYS 28 HG2 LYS 28 -0.356 6.069 -16.991 191 HG3 LYS 28 HG3 LYS 28 0.492 5.023 -18.132 192 HD2 LYS 28 HD2 LYS 28 -2.491 4.907 -17.903 193 HD3 LYS 28 HD3 LYS 28 -1.720 6.176 -18.857 194 HE2 LYS 28 HE2 LYS 28 -0.705 4.591 -20.302 195 HE3 LYS 28 HE3 LYS 28 -1.121 3.251 -19.234 196 HZ1 LYS 28 HZ1 LYS 28 -3.476 4.596 -19.943 197 HZ2 LYS 28 HZ2 LYS 28 -2.607 4.282 -21.360 198 HZ3 LYS 28 HZ3 LYS 28 -3.018 3.012 -20.321 199 H LYS 29 H LYS 29 0.573 2.842 -13.624 200 HA LYS 29 HA LYS 29 -1.691 1.060 -13.137 201 HB2 LYS 29 HB2 LYS 29 1.173 0.747 -13.315 202 HB3 LYS 29 HB3 LYS 29 0.579 0.088 -11.796 203 HG2 LYS 29 HG2 LYS 29 -0.739 -1.499 -12.851 204 HG3 LYS 29 HG3 LYS 29 -0.755 -0.614 -14.378 205 HD2 LYS 29 HD2 LYS 29 1.882 -1.521 -13.382 206 HD3 LYS 29 HD3 LYS 29 0.776 -2.769 -13.960 207 HE2 LYS 29 HE2 LYS 29 1.245 -0.317 -15.602 208 HE3 LYS 29 HE3 LYS 29 2.436 -1.616 -15.612 209 HZ1 LYS 29 HZ1 LYS 29 1.110 -2.302 -17.301 210 HZ2 LYS 29 HZ2 LYS 29 0.277 -3.042 -16.027 211 HZ3 LYS 29 HZ3 LYS 29 -0.287 -1.583 -16.671 212 H GLY 30 H GLY 30 -1.329 3.772 -11.889 213 HA2 GLY 30 HA2 GLY 30 -2.179 4.531 -9.843 214 HA3 GLY 30 HA3 GLY 30 -1.950 2.921 -9.176 215 H ALA 31 H ALA 31 0.854 2.859 -10.192 216 HA ALA 31 HA ALA 31 2.236 3.514 -7.928 217 HB1 ALA 31 HB1 ALA 31 3.038 2.250 -9.996 218 HB2 ALA 31 HB2 ALA 31 3.487 3.830 -10.638 219 HB3 ALA 31 HB3 ALA 31 4.220 3.244 -9.145 220 H GLU 32 H GLU 32 3.866 5.224 -7.559 221 HA GLU 32 HA GLU 32 2.684 7.824 -8.083 222 HB2 GLU 32 HB2 GLU 32 3.598 6.999 -5.818 223 HB3 GLU 32 HB3 GLU 32 5.188 7.327 -6.492 224 HG2 GLU 32 HG2 GLU 32 4.737 9.275 -5.369 225 HG3 GLU 32 HG3 GLU 32 4.209 9.671 -7.004 226 H SER 33 H SER 33 5.584 6.010 -8.872 227 HA SER 33 HA SER 33 6.115 7.284 -11.259 228 HB2 SER 33 HB2 SER 33 7.084 8.779 -8.918 229 HB3 SER 33 HB3 SER 33 8.314 8.482 -10.146 230 HG SER 33 HG SER 33 7.415 10.003 -11.262 231 H GLY 34 H GLY 34 8.117 6.621 -12.236 232 HA2 GLY 34 HA2 GLY 34 10.082 5.109 -10.880 233 HA3 GLY 34 HA3 GLY 34 8.897 4.020 -11.587 234 H TYR 35 H TYR 35 10.836 3.276 -12.780 235 HA TYR 35 HA TYR 35 10.851 4.411 -15.405 236 HB2 TYR 35 HB2 TYR 35 13.055 5.199 -15.553 237 HB3 TYR 35 HB3 TYR 35 12.488 5.834 -14.013 238 HD1 TYR 35 HD1 TYR 35 12.726 3.272 -12.410 239 HD2 TYR 35 HD2 TYR 35 15.383 5.161 -15.143 240 HE1 TYR 35 HE1 TYR 35 14.635 2.219 -11.271 241 HE2 TYR 35 HE2 TYR 35 17.300 4.113 -14.013 242 HH TYR 35 HH TYR 35 17.451 3.083 -11.223 243 H CYS 36 H CYS 36 13.158 3.309 -16.417 244 HA CYS 36 HA CYS 36 12.552 0.462 -16.183 245 HB2 CYS 36 HB2 CYS 36 12.799 1.867 -18.399 246 HB3 CYS 36 HB3 CYS 36 14.515 1.559 -18.156 247 H GLN 37 H GLN 37 13.582 0.015 -14.206 248 HA GLN 37 HA GLN 37 16.365 0.601 -13.818 249 HB2 GLN 37 HB2 GLN 37 14.590 0.357 -11.999 250 HB3 GLN 37 HB3 GLN 37 14.728 -1.379 -12.244 251 HG2 GLN 37 HG2 GLN 37 17.285 -0.896 -11.887 252 HG3 GLN 37 HG3 GLN 37 16.668 0.531 -11.056 253 HE21 GLN 37 HE21 GLN 37 18.014 -2.048 -10.195 254 HE22 GLN 37 HE22 GLN 37 17.023 -2.623 -8.902 255 H TRP 38 H TRP 38 17.467 -0.363 -15.523 256 HA TRP 38 HA TRP 38 17.156 -3.149 -16.133 257 HB2 TRP 38 HB2 TRP 38 19.152 -2.770 -17.600 258 HB3 TRP 38 HB3 TRP 38 17.813 -1.669 -17.911 259 HD1 TRP 38 HD1 TRP 38 20.938 -1.539 -15.590 260 HE1 TRP 38 HE1 TRP 38 21.987 0.801 -15.823 261 HE3 TRP 38 HE3 TRP 38 17.665 0.487 -18.954 262 HZ2 TRP 38 HZ2 TRP 38 21.491 3.189 -17.244 263 HZ3 TRP 38 HZ3 TRP 38 18.022 2.805 -19.699 264 HH2 TRP 38 HH2 TRP 38 19.896 4.126 -18.860 265 H ALA 39 H ALA 39 19.183 -4.566 -16.192 266 HA ALA 39 HA ALA 39 20.819 -5.708 -15.093 267 HB1 ALA 39 HB1 ALA 39 21.462 -3.316 -13.421 268 HB2 ALA 39 HB2 ALA 39 22.541 -4.532 -14.105 269 HB3 ALA 39 HB3 ALA 39 21.820 -3.306 -15.148 270 H GLY 40 H GLY 40 18.449 -6.342 -14.182 271 HA2 GLY 40 HA2 GLY 40 18.605 -6.143 -11.239 272 HA3 GLY 40 HA3 GLY 40 17.112 -6.366 -12.138 273 H GLN 41 H GLN 41 17.296 -8.090 -10.236 274 HA GLN 41 HA GLN 41 18.852 -10.352 -10.423 275 HB2 GLN 41 HB2 GLN 41 17.319 -9.924 -8.563 276 HB3 GLN 41 HB3 GLN 41 15.941 -10.189 -9.623 277 HG2 GLN 41 HG2 GLN 41 16.521 -12.103 -8.128 278 HG3 GLN 41 HG3 GLN 41 16.439 -12.491 -9.846 279 HE21 GLN 41 HE21 GLN 41 17.885 -14.009 -10.232 280 HE22 GLN 41 HE22 GLN 41 19.529 -14.002 -9.703 281 H TYR 42 H TYR 42 15.699 -9.791 -11.976 282 HA TYR 42 HA TYR 42 16.126 -12.167 -13.634 283 HB2 TYR 42 HB2 TYR 42 13.621 -10.659 -13.970 284 HB3 TYR 42 HB3 TYR 42 13.876 -12.386 -13.749 285 HD1 TYR 42 HD1 TYR 42 13.881 -13.372 -11.539 286 HD2 TYR 42 HD2 TYR 42 13.347 -9.182 -12.047 287 HE1 TYR 42 HE1 TYR 42 13.112 -13.194 -9.209 288 HE2 TYR 42 HE2 TYR 42 12.578 -8.992 -9.718 289 HH TYR 42 HH TYR 42 13.078 -10.635 -7.475 290 H GLY 43 H GLY 43 17.575 -9.612 -14.000 291 HA2 GLY 43 HA2 GLY 43 18.451 -8.705 -15.971 292 HA3 GLY 43 HA3 GLY 43 17.083 -9.364 -16.856 293 H ASN 44 H ASN 44 16.281 -7.635 -17.899 294 HA ASN 44 HA ASN 44 16.064 -5.066 -16.592 295 HB2 ASN 44 HB2 ASN 44 15.056 -5.925 -19.313 296 HB3 ASN 44 HB3 ASN 44 15.209 -4.270 -18.732 297 HD21 ASN 44 HD21 ASN 44 17.681 -4.460 -17.467 298 HD22 ASN 44 HD22 ASN 44 18.898 -4.702 -18.669 299 H ALA 45 H ALA 45 14.448 -4.627 -15.257 300 HA ALA 45 HA ALA 45 11.748 -5.553 -15.954 301 HB1 ALA 45 HB1 ALA 45 12.442 -7.082 -14.266 302 HB2 ALA 45 HB2 ALA 45 13.067 -5.779 -13.256 303 HB3 ALA 45 HB3 ALA 45 11.330 -5.940 -13.512 304 H CYS 46 H CYS 46 10.140 -4.095 -15.626 305 HA CYS 46 HA CYS 46 10.808 -1.369 -15.339 306 HB2 CYS 46 HB2 CYS 46 8.749 -2.524 -16.478 307 HB3 CYS 46 HB3 CYS 46 8.020 -2.370 -14.882 308 H TRP 47 H TRP 47 11.277 -0.289 -13.554 309 HA TRP 47 HA TRP 47 10.421 -1.361 -10.967 310 HB2 TRP 47 HB2 TRP 47 12.769 -0.955 -11.052 311 HB3 TRP 47 HB3 TRP 47 12.535 0.645 -11.750 312 HD1 TRP 47 HD1 TRP 47 11.789 2.616 -10.084 313 HE1 TRP 47 HE1 TRP 47 11.980 2.855 -7.528 314 HE3 TRP 47 HE3 TRP 47 12.682 -2.271 -8.877 315 HZ2 TRP 47 HZ2 TRP 47 12.448 1.192 -5.296 316 HZ3 TRP 47 HZ3 TRP 47 12.991 -2.863 -6.508 317 HH2 TRP 47 HH2 TRP 47 12.876 -1.166 -4.757 318 H CYS 48 H CYS 48 8.956 -0.377 -9.713 319 HA CYS 48 HA CYS 48 8.144 2.367 -10.399 320 HB2 CYS 48 HB2 CYS 48 6.339 0.018 -9.796 321 HB3 CYS 48 HB3 CYS 48 5.790 1.690 -9.850 322 H TYR 49 H TYR 49 7.086 3.526 -8.645 323 HA TYR 49 HA TYR 49 8.090 2.639 -6.026 324 HB2 TYR 49 HB2 TYR 49 7.757 5.328 -7.287 325 HB3 TYR 49 HB3 TYR 49 7.636 5.196 -5.536 326 HD1 TYR 49 HD1 TYR 49 9.600 3.981 -4.340 327 HD2 TYR 49 HD2 TYR 49 9.843 5.569 -8.279 328 HE1 TYR 49 HE1 TYR 49 12.053 4.029 -4.163 329 HE2 TYR 49 HE2 TYR 49 12.297 5.621 -8.114 330 HH TYR 49 HH TYR 49 14.061 4.064 -6.432 331 H LYS 50 H LYS 50 6.771 2.689 -4.225 332 HA LYS 50 HA LYS 50 4.799 2.242 -3.149 333 HB2 LYS 50 HB2 LYS 50 3.938 4.767 -4.570 334 HB3 LYS 50 HB3 LYS 50 3.276 4.125 -3.072 335 HG2 LYS 50 HG2 LYS 50 6.149 4.547 -2.940 336 HG3 LYS 50 HG3 LYS 50 5.249 6.023 -3.293 337 HD2 LYS 50 HD2 LYS 50 5.272 6.001 -0.978 338 HD3 LYS 50 HD3 LYS 50 3.717 5.249 -1.343 339 HE2 LYS 50 HE2 LYS 50 4.472 3.710 0.138 340 HE3 LYS 50 HE3 LYS 50 5.248 3.059 -1.305 341 HZ1 LYS 50 HZ1 LYS 50 6.478 4.757 0.792 342 HZ2 LYS 50 HZ2 LYS 50 6.876 3.163 0.390 343 HZ3 LYS 50 HZ3 LYS 50 7.230 4.420 -0.686 344 H LEU 51 H LEU 51 4.768 0.491 -5.029 345 HA LEU 51 HA LEU 51 2.667 0.778 -6.951 346 HB2 LEU 51 HB2 LEU 51 4.491 -1.405 -6.081 347 HB3 LEU 51 HB3 LEU 51 3.038 -1.837 -6.980 348 HG LEU 51 HG LEU 51 5.231 0.001 -7.941 349 HD11 LEU 51 HD11 LEU 51 6.209 -1.750 -8.918 350 HD12 LEU 51 HD12 LEU 51 5.267 -2.737 -7.801 351 HD13 LEU 51 HD13 LEU 51 4.669 -2.438 -9.433 352 HD21 LEU 51 HD21 LEU 51 4.037 -0.108 -10.092 353 HD22 LEU 51 HD22 LEU 51 2.731 -0.994 -9.305 354 HD23 LEU 51 HD23 LEU 51 3.080 0.669 -8.831 355 HA PRO 52 HA PRO 52 -0.789 -0.348 -4.470 356 HB2 PRO 52 HB2 PRO 52 -2.435 -1.288 -6.414 357 HB3 PRO 52 HB3 PRO 52 -2.092 0.432 -6.195 358 HG2 PRO 52 HG2 PRO 52 -0.901 -1.503 -8.143 359 HG3 PRO 52 HG3 PRO 52 -1.435 0.167 -8.409 360 HD2 PRO 52 HD2 PRO 52 1.169 -0.494 -8.068 361 HD3 PRO 52 HD3 PRO 52 0.498 1.058 -7.526 362 H ASP 53 H ASP 53 -1.299 -2.079 -3.276 363 HA ASP 53 HA ASP 53 -0.026 -4.501 -3.396 364 HB2 ASP 53 HB2 ASP 53 -1.675 -3.443 -1.617 365 HB3 ASP 53 HB3 ASP 53 -2.852 -4.473 -2.427 366 H LYS 54 H LYS 54 -2.788 -3.445 -5.219 367 HA LYS 54 HA LYS 54 -3.769 -5.954 -6.040 368 HB2 LYS 54 HB2 LYS 54 -3.874 -3.298 -7.481 369 HB3 LYS 54 HB3 LYS 54 -4.850 -4.707 -7.874 370 HG2 LYS 54 HG2 LYS 54 -6.137 -4.510 -5.953 371 HG3 LYS 54 HG3 LYS 54 -4.935 -3.510 -5.134 372 HD2 LYS 54 HD2 LYS 54 -6.692 -2.050 -5.742 373 HD3 LYS 54 HD3 LYS 54 -5.394 -1.752 -6.900 374 HE2 LYS 54 HE2 LYS 54 -7.257 -1.872 -8.266 375 HE3 LYS 54 HE3 LYS 54 -6.624 -3.516 -8.349 376 HZ1 LYS 54 HZ1 LYS 54 -8.744 -4.034 -7.865 377 HZ2 LYS 54 HZ2 LYS 54 -8.268 -3.724 -6.271 378 HZ3 LYS 54 HZ3 LYS 54 -9.082 -2.535 -7.157 379 H VAL 55 H VAL 55 -1.291 -3.825 -7.377 380 HA VAL 55 HA VAL 55 -0.807 -5.604 -9.617 381 HB VAL 55 HB VAL 55 0.633 -3.090 -8.757 382 HG11 VAL 55 HG11 VAL 55 1.434 -5.134 -10.559 383 HG12 VAL 55 HG12 VAL 55 1.025 -3.700 -11.501 384 HG13 VAL 55 HG13 VAL 55 2.228 -3.596 -10.215 385 HG21 VAL 55 HG21 VAL 55 -1.113 -3.381 -11.174 386 HG22 VAL 55 HG22 VAL 55 -1.813 -3.018 -9.596 387 HG23 VAL 55 HG23 VAL 55 -0.635 -1.918 -10.312 388 HA PRO 56 HA PRO 56 2.042 -7.942 -7.044 389 HB2 PRO 56 HB2 PRO 56 2.436 -9.911 -8.872 390 HB3 PRO 56 HB3 PRO 56 1.005 -9.833 -7.836 391 HG2 PRO 56 HG2 PRO 56 1.329 -8.976 -10.686 392 HG3 PRO 56 HG3 PRO 56 -0.010 -9.858 -9.928 393 HD2 PRO 56 HD2 PRO 56 -0.122 -7.202 -10.445 394 HD3 PRO 56 HD3 PRO 56 -0.945 -7.940 -9.056 395 H ILE 57 H ILE 57 4.268 -8.740 -7.347 396 HA ILE 57 HA ILE 57 5.712 -7.217 -9.417 397 HB ILE 57 HB ILE 57 7.596 -7.012 -7.844 398 HG12 ILE 57 HG12 ILE 57 5.925 -7.663 -5.497 399 HG13 ILE 57 HG13 ILE 57 6.435 -9.043 -6.463 400 HG21 ILE 57 HG21 ILE 57 5.283 -5.531 -7.918 401 HG22 ILE 57 HG22 ILE 57 5.511 -5.824 -6.194 402 HG23 ILE 57 HG23 ILE 57 6.789 -5.054 -7.135 403 HD11 ILE 57 HD11 ILE 57 8.474 -8.965 -5.610 404 HD12 ILE 57 HD12 ILE 57 8.635 -7.250 -5.991 405 HD13 ILE 57 HD13 ILE 57 7.881 -7.750 -4.478 406 H LYS 58 H LYS 58 7.736 -8.133 -10.128 407 HA LYS 58 HA LYS 58 7.560 -10.904 -10.660 408 HB2 LYS 58 HB2 LYS 58 8.655 -9.512 -12.259 409 HB3 LYS 58 HB3 LYS 58 9.775 -8.894 -11.052 410 HG2 LYS 58 HG2 LYS 58 10.944 -10.437 -12.442 411 HG3 LYS 58 HG3 LYS 58 10.731 -11.180 -10.855 412 HD2 LYS 58 HD2 LYS 58 8.780 -12.415 -11.733 413 HD3 LYS 58 HD3 LYS 58 9.081 -11.717 -13.325 414 HE2 LYS 58 HE2 LYS 58 11.497 -12.718 -12.890 415 HE3 LYS 58 HE3 LYS 58 10.589 -13.803 -11.839 416 HZ1 LYS 58 HZ1 LYS 58 9.789 -14.896 -13.584 417 HZ2 LYS 58 HZ2 LYS 58 9.344 -13.477 -14.390 418 HZ3 LYS 58 HZ3 LYS 58 10.921 -14.073 -14.534 419 H VAL 59 H VAL 59 8.634 -12.645 -9.820 420 HA VAL 59 HA VAL 59 10.562 -12.228 -7.667 421 HB VAL 59 HB VAL 59 9.372 -13.949 -6.260 422 HG11 VAL 59 HG11 VAL 59 9.161 -11.241 -6.295 423 HG12 VAL 59 HG12 VAL 59 7.467 -11.721 -6.379 424 HG13 VAL 59 HG13 VAL 59 8.477 -12.283 -5.047 425 HG21 VAL 59 HG21 VAL 59 6.740 -13.363 -7.262 426 HG22 VAL 59 HG22 VAL 59 7.722 -14.124 -8.514 427 HG23 VAL 59 HG23 VAL 59 7.500 -14.925 -6.958 428 H SER 60 H SER 60 11.532 -14.343 -6.956 429 HA SER 60 HA SER 60 12.736 -15.669 -9.027 430 HB2 SER 60 HB2 SER 60 12.119 -16.742 -6.265 431 HB3 SER 60 HB3 SER 60 13.273 -17.463 -7.387 432 HG SER 60 HG SER 60 14.596 -16.150 -6.384 433 H GLY 61 H GLY 61 9.648 -16.377 -7.514 434 HA2 GLY 61 HA2 GLY 61 9.161 -18.937 -8.454 435 HA3 GLY 61 HA3 GLY 61 7.916 -17.726 -8.184 436 H LYS 62 H LYS 62 8.678 -19.840 -10.356 437 HA LYS 62 HA LYS 62 9.195 -18.627 -12.778 438 HB2 LYS 62 HB2 LYS 62 8.875 -21.122 -12.213 439 HB3 LYS 62 HB3 LYS 62 7.167 -20.835 -12.516 440 HG2 LYS 62 HG2 LYS 62 8.097 -21.702 -14.512 441 HG3 LYS 62 HG3 LYS 62 7.804 -19.983 -14.783 442 HD2 LYS 62 HD2 LYS 62 10.318 -19.840 -13.897 443 HD3 LYS 62 HD3 LYS 62 10.360 -21.472 -14.569 444 HE2 LYS 62 HE2 LYS 62 9.479 -20.558 -16.701 445 HE3 LYS 62 HE3 LYS 62 9.589 -18.938 -16.014 446 HZ1 LYS 62 HZ1 LYS 62 12.010 -19.419 -15.664 447 HZ2 LYS 62 HZ2 LYS 62 11.810 -20.806 -16.612 448 HZ3 LYS 62 HZ3 LYS 62 11.532 -19.276 -17.280 449 H CYS 63 H CYS 63 7.848 -17.918 -14.503 450 HA CYS 63 HA CYS 63 5.912 -16.054 -13.821 451 HB2 CYS 63 HB2 CYS 63 6.806 -17.343 -16.336 452 HB3 CYS 63 HB3 CYS 63 5.223 -16.572 -16.377 453 H ASN 64 H ASN 64 3.672 -16.018 -13.873 454 HA ASN 64 HA ASN 64 2.383 -18.476 -13.178 455 HB2 ASN 64 HB2 ASN 64 1.513 -15.619 -13.434 456 HB3 ASN 64 HB3 ASN 64 0.299 -16.888 -13.304 457 HD21 ASN 64 HD21 ASN 64 -0.356 -15.972 -11.319 458 HD22 ASN 64 HD22 ASN 64 0.548 -16.246 -9.873 Start of MODEL 4 1 H1 VAL 1 H VAL 1 1.481 0.636 0.683 2 HA VAL 1 HA VAL 1 1.424 -0.591 -1.998 3 HB VAL 1 HB VAL 1 2.846 1.462 -2.638 4 HG11 VAL 1 HG11 VAL 1 0.885 2.717 -3.231 5 HG12 VAL 1 HG12 VAL 1 0.516 0.999 -3.372 6 HG13 VAL 1 HG13 VAL 1 -0.061 1.914 -1.979 7 HG21 VAL 1 HG21 VAL 1 3.138 2.169 -0.245 8 HG22 VAL 1 HG22 VAL 1 2.586 3.439 -1.337 9 HG23 VAL 1 HG23 VAL 1 1.441 2.649 -0.253 10 H ARG 2 H ARG 2 3.730 -0.402 -3.027 11 HA ARG 2 HA ARG 2 5.954 -0.626 -1.245 12 HB2 ARG 2 HB2 ARG 2 6.475 -2.999 -1.777 13 HB3 ARG 2 HB3 ARG 2 5.027 -2.806 -0.799 14 HG2 ARG 2 HG2 ARG 2 3.837 -3.926 -2.287 15 HG3 ARG 2 HG3 ARG 2 4.290 -2.783 -3.552 16 HD2 ARG 2 HD2 ARG 2 4.890 -5.163 -4.031 17 HD3 ARG 2 HD3 ARG 2 6.245 -4.037 -4.089 18 HE ARG 2 HE ARG 2 7.205 -5.189 -2.371 19 HH11 ARG 2 HH11 ARG 2 3.799 -5.910 -2.430 20 HH12 ARG 2 HH12 ARG 2 3.899 -7.112 -1.186 21 HH21 ARG 2 HH21 ARG 2 7.349 -6.769 -0.732 22 HH22 ARG 2 HH22 ARG 2 5.919 -7.598 -0.220 23 H ASP 3 H ASP 3 7.931 -0.630 -2.322 24 HA ASP 3 HA ASP 3 7.752 0.069 -5.151 25 HB2 ASP 3 HB2 ASP 3 10.313 0.186 -3.613 26 HB3 ASP 3 HB3 ASP 3 9.727 1.244 -4.894 27 H GLY 4 H GLY 4 8.689 -1.070 -6.778 28 HA2 GLY 4 HA2 GLY 4 10.755 -2.869 -6.697 29 HA3 GLY 4 HA3 GLY 4 9.338 -3.815 -6.266 30 H TYR 5 H TYR 5 10.256 -4.865 -8.336 31 HA TYR 5 HA TYR 5 9.612 -3.539 -10.807 32 HB2 TYR 5 HB2 TYR 5 10.389 -6.408 -10.244 33 HB3 TYR 5 HB3 TYR 5 10.244 -5.697 -11.848 34 HD1 TYR 5 HD1 TYR 5 11.798 -3.805 -12.477 35 HD2 TYR 5 HD2 TYR 5 12.372 -6.180 -8.994 36 HE1 TYR 5 HE1 TYR 5 14.142 -3.067 -12.368 37 HE2 TYR 5 HE2 TYR 5 14.717 -5.448 -8.874 38 HH TYR 5 HH TYR 5 16.156 -3.746 -9.631 39 H ILE 6 H ILE 6 7.789 -3.669 -11.967 40 HA ILE 6 HA ILE 6 5.500 -4.989 -10.799 41 HB ILE 6 HB ILE 6 4.169 -3.748 -12.218 42 HG12 ILE 6 HG12 ILE 6 6.511 -3.650 -14.127 43 HG13 ILE 6 HG13 ILE 6 5.013 -4.550 -14.333 44 HG21 ILE 6 HG21 ILE 6 4.781 -1.638 -11.729 45 HG22 ILE 6 HG22 ILE 6 6.110 -2.425 -10.878 46 HG23 ILE 6 HG23 ILE 6 6.354 -1.802 -12.510 47 HD11 ILE 6 HD11 ILE 6 5.607 -1.981 -15.248 48 HD12 ILE 6 HD12 ILE 6 4.056 -2.817 -15.311 49 HD13 ILE 6 HD13 ILE 6 4.440 -1.772 -13.943 50 H ALA 7 H ALA 7 4.266 -6.614 -11.738 51 HA ALA 7 HA ALA 7 5.599 -8.104 -13.906 52 HB1 ALA 7 HB1 ALA 7 4.068 -9.143 -11.530 53 HB2 ALA 7 HB2 ALA 7 4.549 -10.141 -12.902 54 HB3 ALA 7 HB3 ALA 7 5.778 -9.374 -11.896 55 H ASP 8 H ASP 8 4.164 -9.405 -15.268 56 HA ASP 8 HA ASP 8 1.691 -7.947 -15.820 57 HB2 ASP 8 HB2 ASP 8 1.734 -9.166 -17.986 58 HB3 ASP 8 HB3 ASP 8 3.188 -8.212 -17.707 59 H ASP 9 H ASP 9 0.171 -9.768 -17.119 60 HA ASP 9 HA ASP 9 -1.168 -11.099 -15.066 61 HB2 ASP 9 HB2 ASP 9 -2.089 -10.453 -17.334 62 HB3 ASP 9 HB3 ASP 9 -1.278 -11.876 -17.982 63 H LYS 10 H LYS 10 1.605 -12.017 -16.863 64 HA LYS 10 HA LYS 10 1.345 -14.821 -16.039 65 HB2 LYS 10 HB2 LYS 10 3.293 -13.500 -17.938 66 HB3 LYS 10 HB3 LYS 10 3.268 -15.216 -17.555 67 HG2 LYS 10 HG2 LYS 10 0.658 -14.425 -18.376 68 HG3 LYS 10 HG3 LYS 10 1.834 -13.848 -19.559 69 HD2 LYS 10 HD2 LYS 10 2.791 -16.142 -19.640 70 HD3 LYS 10 HD3 LYS 10 1.491 -16.679 -18.573 71 HE2 LYS 10 HE2 LYS 10 0.215 -17.002 -20.361 72 HE3 LYS 10 HE3 LYS 10 0.261 -15.267 -20.668 73 HZ1 LYS 10 HZ1 LYS 10 2.455 -15.757 -21.831 74 HZ2 LYS 10 HZ2 LYS 10 1.979 -17.380 -21.814 75 HZ3 LYS 10 HZ3 LYS 10 1.037 -16.231 -22.623 76 H ASN 11 H ASN 11 2.032 -12.507 -14.268 77 HA ASN 11 HA ASN 11 3.493 -11.962 -12.605 78 HB2 ASN 11 HB2 ASN 11 2.819 -14.417 -12.131 79 HB3 ASN 11 HB3 ASN 11 4.445 -14.814 -12.678 80 HD21 ASN 11 HD21 ASN 11 6.057 -14.685 -11.269 81 HD22 ASN 11 HD22 ASN 11 5.958 -13.974 -9.698 82 H CYS 12 H CYS 12 4.453 -11.857 -15.417 83 HA CYS 12 HA CYS 12 7.324 -12.324 -15.057 84 HB2 CYS 12 HB2 CYS 12 5.696 -11.690 -17.524 85 HB3 CYS 12 HB3 CYS 12 7.448 -11.857 -17.514 86 H ALA 13 H ALA 13 8.796 -10.705 -15.003 87 HA ALA 13 HA ALA 13 8.003 -8.122 -14.247 88 HB1 ALA 13 HB1 ALA 13 10.586 -7.791 -15.099 89 HB2 ALA 13 HB2 ALA 13 10.097 -8.339 -13.496 90 HB3 ALA 13 HB3 ALA 13 10.519 -9.516 -14.740 91 H TYR 14 H TYR 14 7.840 -6.204 -15.328 92 HA TYR 14 HA TYR 14 7.162 -6.273 -18.068 93 HB2 TYR 14 HB2 TYR 14 7.409 -4.191 -15.974 94 HB3 TYR 14 HB3 TYR 14 7.527 -3.634 -17.640 95 HD1 TYR 14 HD1 TYR 14 5.435 -6.375 -16.235 96 HD2 TYR 14 HD2 TYR 14 5.516 -2.510 -18.012 97 HE1 TYR 14 HE1 TYR 14 2.982 -6.413 -16.414 98 HE2 TYR 14 HE2 TYR 14 3.063 -2.537 -18.196 99 HH TYR 14 HH TYR 14 1.247 -4.311 -18.326 100 H PHE 15 H PHE 15 8.889 -7.087 -19.250 101 HA PHE 15 HA PHE 15 11.528 -6.062 -19.098 102 HB2 PHE 15 HB2 PHE 15 10.292 -7.469 -21.467 103 HB3 PHE 15 HB3 PHE 15 11.995 -7.405 -21.026 104 HD1 PHE 15 HD1 PHE 15 11.985 -8.047 -18.202 105 HD2 PHE 15 HD2 PHE 15 9.647 -9.677 -21.364 106 HE1 PHE 15 HE1 PHE 15 11.735 -10.141 -16.934 107 HE2 PHE 15 HE2 PHE 15 9.393 -11.773 -20.100 108 HZ PHE 15 HZ PHE 15 10.437 -12.006 -17.882 109 H CYS 16 H CYS 16 11.204 -3.779 -19.190 110 HA CYS 16 HA CYS 16 10.296 -2.683 -21.743 111 HB2 CYS 16 HB2 CYS 16 10.453 -0.491 -20.590 112 HB3 CYS 16 HB3 CYS 16 9.393 -1.624 -19.758 113 H GLY 17 H GLY 17 11.698 -0.439 -22.086 114 HA2 GLY 17 HA2 GLY 17 14.546 -0.978 -21.882 115 HA3 GLY 17 HA3 GLY 17 13.891 -1.000 -23.513 116 H ARG 18 H ARG 18 12.393 1.133 -21.279 117 HA ARG 18 HA ARG 18 14.083 3.392 -21.906 118 HB2 ARG 18 HB2 ARG 18 11.665 2.826 -23.425 119 HB3 ARG 18 HB3 ARG 18 11.601 4.400 -22.644 120 HG2 ARG 18 HG2 ARG 18 14.042 3.631 -24.169 121 HG3 ARG 18 HG3 ARG 18 12.595 4.142 -25.041 122 HD2 ARG 18 HD2 ARG 18 12.609 6.154 -23.427 123 HD3 ARG 18 HD3 ARG 18 14.280 5.690 -23.105 124 HE ARG 18 HE ARG 18 13.299 7.029 -25.412 125 HH11 ARG 18 HH11 ARG 18 15.665 4.709 -24.345 126 HH12 ARG 18 HH12 ARG 18 16.771 5.049 -25.635 127 HH21 ARG 18 HH21 ARG 18 14.747 7.486 -27.115 128 HH22 ARG 18 HH22 ARG 18 16.248 6.629 -27.209 129 H ASN 19 H ASN 19 14.078 4.781 -20.256 130 HA ASN 19 HA ASN 19 12.742 4.303 -17.873 131 HB2 ASN 19 HB2 ASN 19 13.321 6.771 -17.389 132 HB3 ASN 19 HB3 ASN 19 14.649 5.662 -17.719 133 HD21 ASN 19 HD21 ASN 19 13.180 8.559 -18.553 134 HD22 ASN 19 HD22 ASN 19 14.069 8.890 -19.997 135 H ALA 20 H ALA 20 12.020 6.834 -20.281 136 HA ALA 20 HA ALA 20 9.788 7.945 -19.125 137 HB1 ALA 20 HB1 ALA 20 11.024 8.563 -21.306 138 HB2 ALA 20 HB2 ALA 20 9.872 7.476 -22.081 139 HB3 ALA 20 HB3 ALA 20 9.294 8.884 -21.190 140 H TYR 21 H TYR 21 9.896 5.144 -21.316 141 HA TYR 21 HA TYR 21 7.191 4.625 -21.521 142 HB2 TYR 21 HB2 TYR 21 8.668 3.372 -22.888 143 HB3 TYR 21 HB3 TYR 21 9.569 2.772 -21.500 144 HD1 TYR 21 HD1 TYR 21 8.937 0.772 -20.416 145 HD2 TYR 21 HD2 TYR 21 6.320 2.538 -23.268 146 HE1 TYR 21 HE1 TYR 21 7.540 -1.253 -20.380 147 HE2 TYR 21 HE2 TYR 21 4.916 0.520 -23.239 148 HH TYR 21 HH TYR 21 5.173 -1.865 -20.880 149 H CYS 22 H CYS 22 9.460 3.330 -19.101 150 HA CYS 22 HA CYS 22 7.607 1.839 -17.636 151 HB2 CYS 22 HB2 CYS 22 10.307 2.959 -17.132 152 HB3 CYS 22 HB3 CYS 22 9.365 2.520 -15.711 153 H ASP 23 H ASP 23 8.768 5.159 -17.087 154 HA ASP 23 HA ASP 23 7.374 5.798 -14.812 155 HB2 ASP 23 HB2 ASP 23 9.017 7.256 -16.059 156 HB3 ASP 23 HB3 ASP 23 7.701 7.684 -17.149 157 H GLU 24 H GLU 24 6.186 5.678 -18.124 158 HA GLU 24 HA GLU 24 3.654 6.845 -17.592 159 HB2 GLU 24 HB2 GLU 24 4.665 6.689 -19.854 160 HB3 GLU 24 HB3 GLU 24 4.423 4.948 -19.816 161 HG2 GLU 24 HG2 GLU 24 2.105 5.144 -19.944 162 HG3 GLU 24 HG3 GLU 24 2.131 6.840 -19.464 163 H GLU 25 H GLU 25 4.556 3.446 -18.206 164 HA GLU 25 HA GLU 25 2.078 2.325 -17.600 165 HB2 GLU 25 HB2 GLU 25 4.687 0.944 -17.011 166 HB3 GLU 25 HB3 GLU 25 3.169 0.231 -17.538 167 HG2 GLU 25 HG2 GLU 25 5.210 1.717 -19.126 168 HG3 GLU 25 HG3 GLU 25 4.468 0.149 -19.441 169 H CYS 26 H CYS 26 4.685 3.353 -15.513 170 HA CYS 26 HA CYS 26 3.877 2.024 -13.161 171 HB2 CYS 26 HB2 CYS 26 5.599 4.400 -13.756 172 HB3 CYS 26 HB3 CYS 26 5.141 4.067 -12.089 173 H LYS 27 H LYS 27 3.627 5.527 -13.766 174 HA LYS 27 HA LYS 27 1.813 6.102 -11.764 175 HB2 LYS 27 HB2 LYS 27 2.987 7.850 -12.966 176 HB3 LYS 27 HB3 LYS 27 2.151 7.434 -14.456 177 HG2 LYS 27 HG2 LYS 27 0.479 8.165 -12.125 178 HG3 LYS 27 HG3 LYS 27 1.398 9.453 -12.907 179 HD2 LYS 27 HD2 LYS 27 0.385 8.317 -15.088 180 HD3 LYS 27 HD3 LYS 27 -0.862 7.825 -13.939 181 HE2 LYS 27 HE2 LYS 27 -0.956 10.264 -13.233 182 HE3 LYS 27 HE3 LYS 27 0.014 10.610 -14.664 183 HZ1 LYS 27 HZ1 LYS 27 -1.724 9.588 -16.021 184 HZ2 LYS 27 HZ2 LYS 27 -2.661 9.321 -14.638 185 HZ3 LYS 27 HZ3 LYS 27 -2.320 10.901 -15.136 186 H LYS 28 H LYS 28 1.223 4.910 -15.017 187 HA LYS 28 HA LYS 28 -1.550 5.302 -15.122 188 HB2 LYS 28 HB2 LYS 28 0.327 3.384 -16.466 189 HB3 LYS 28 HB3 LYS 28 -1.409 3.239 -16.706 190 HG2 LYS 28 HG2 LYS 28 -0.393 5.952 -17.075 191 HG3 LYS 28 HG3 LYS 28 0.273 4.772 -18.206 192 HD2 LYS 28 HD2 LYS 28 -2.678 4.973 -17.673 193 HD3 LYS 28 HD3 LYS 28 -1.879 5.977 -18.885 194 HE2 LYS 28 HE2 LYS 28 -0.911 3.583 -19.594 195 HE3 LYS 28 HE3 LYS 28 -2.442 3.071 -18.886 196 HZ1 LYS 28 HZ1 LYS 28 -2.041 4.958 -21.137 197 HZ2 LYS 28 HZ2 LYS 28 -2.811 3.452 -21.178 198 HZ3 LYS 28 HZ3 LYS 28 -3.528 4.747 -20.359 199 H LYS 29 H LYS 29 0.383 2.893 -13.520 200 HA LYS 29 HA LYS 29 -1.956 1.259 -12.906 201 HB2 LYS 29 HB2 LYS 29 1.002 0.906 -12.599 202 HB3 LYS 29 HB3 LYS 29 -0.091 -0.065 -11.621 203 HG2 LYS 29 HG2 LYS 29 -1.155 -0.913 -13.652 204 HG3 LYS 29 HG3 LYS 29 -0.051 0.055 -14.630 205 HD2 LYS 29 HD2 LYS 29 1.758 -1.234 -13.175 206 HD3 LYS 29 HD3 LYS 29 0.456 -2.422 -13.069 207 HE2 LYS 29 HE2 LYS 29 1.919 -2.913 -14.950 208 HE3 LYS 29 HE3 LYS 29 0.307 -2.470 -15.512 209 HZ1 LYS 29 HZ1 LYS 29 2.220 -1.443 -16.744 210 HZ2 LYS 29 HZ2 LYS 29 1.062 -0.352 -16.166 211 HZ3 LYS 29 HZ3 LYS 29 2.538 -0.527 -15.357 212 H GLY 30 H GLY 30 -1.434 4.024 -11.818 213 HA2 GLY 30 HA2 GLY 30 -2.213 4.958 -9.821 214 HA3 GLY 30 HA3 GLY 30 -2.116 3.372 -9.068 215 H ALA 31 H ALA 31 0.704 3.134 -10.161 216 HA ALA 31 HA ALA 31 2.135 3.726 -7.899 217 HB1 ALA 31 HB1 ALA 31 2.844 2.387 -9.958 218 HB2 ALA 31 HB2 ALA 31 3.388 3.930 -10.619 219 HB3 ALA 31 HB3 ALA 31 4.088 3.316 -9.121 220 H GLU 32 H GLU 32 3.922 5.335 -7.638 221 HA GLU 32 HA GLU 32 2.876 7.997 -8.199 222 HB2 GLU 32 HB2 GLU 32 3.721 7.149 -5.902 223 HB3 GLU 32 HB3 GLU 32 5.328 7.411 -6.565 224 HG2 GLU 32 HG2 GLU 32 4.568 9.308 -5.235 225 HG3 GLU 32 HG3 GLU 32 4.838 9.752 -6.919 226 H SER 33 H SER 33 5.631 5.964 -8.940 227 HA SER 33 HA SER 33 6.282 7.213 -11.322 228 HB2 SER 33 HB2 SER 33 7.386 8.558 -8.955 229 HB3 SER 33 HB3 SER 33 8.595 8.142 -10.170 230 HG SER 33 HG SER 33 6.365 9.839 -10.383 231 H GLY 34 H GLY 34 8.352 6.469 -12.230 232 HA2 GLY 34 HA2 GLY 34 9.983 4.597 -10.847 233 HA3 GLY 34 HA3 GLY 34 8.790 3.761 -11.830 234 H TYR 35 H TYR 35 10.942 2.993 -12.748 235 HA TYR 35 HA TYR 35 11.390 4.431 -15.212 236 HB2 TYR 35 HB2 TYR 35 13.916 4.377 -14.846 237 HB3 TYR 35 HB3 TYR 35 13.018 5.610 -13.968 238 HD1 TYR 35 HD1 TYR 35 15.034 2.589 -13.691 239 HD2 TYR 35 HD2 TYR 35 12.678 5.406 -11.541 240 HE1 TYR 35 HE1 TYR 35 16.006 1.782 -11.581 241 HE2 TYR 35 HE2 TYR 35 13.645 4.607 -9.425 242 HH TYR 35 HH TYR 35 14.992 1.880 -8.932 243 H CYS 36 H CYS 36 13.462 3.188 -16.295 244 HA CYS 36 HA CYS 36 12.681 0.355 -16.222 245 HB2 CYS 36 HB2 CYS 36 12.524 1.804 -18.368 246 HB3 CYS 36 HB3 CYS 36 14.275 1.627 -18.431 247 H GLN 37 H GLN 37 14.042 -0.055 -14.383 248 HA GLN 37 HA GLN 37 16.864 0.374 -14.515 249 HB2 GLN 37 HB2 GLN 37 15.420 0.140 -12.414 250 HB3 GLN 37 HB3 GLN 37 15.473 -1.593 -12.708 251 HG2 GLN 37 HG2 GLN 37 17.758 -1.719 -12.302 252 HG3 GLN 37 HG3 GLN 37 17.989 0.013 -12.531 253 HE21 GLN 37 HE21 GLN 37 15.582 -1.688 -10.589 254 HE22 GLN 37 HE22 GLN 37 16.070 -1.019 -9.073 255 H TRP 38 H TRP 38 18.131 -0.686 -15.883 256 HA TRP 38 HA TRP 38 17.403 -3.285 -16.907 257 HB2 TRP 38 HB2 TRP 38 19.645 -3.036 -18.118 258 HB3 TRP 38 HB3 TRP 38 18.390 -1.865 -18.512 259 HD1 TRP 38 HD1 TRP 38 21.560 -2.109 -16.296 260 HE1 TRP 38 HE1 TRP 38 22.593 0.243 -16.129 261 HE3 TRP 38 HE3 TRP 38 18.005 0.524 -18.859 262 HZ2 TRP 38 HZ2 TRP 38 21.981 2.867 -16.971 263 HZ3 TRP 38 HZ3 TRP 38 18.303 2.951 -19.133 264 HH2 TRP 38 HH2 TRP 38 20.251 4.096 -18.207 265 H ALA 39 H ALA 39 17.627 -3.641 -14.274 266 HA ALA 39 HA ALA 39 19.920 -5.413 -14.076 267 HB1 ALA 39 HB1 ALA 39 20.835 -4.513 -12.103 268 HB2 ALA 39 HB2 ALA 39 20.597 -3.135 -13.178 269 HB3 ALA 39 HB3 ALA 39 19.462 -3.433 -11.862 270 H GLY 40 H GLY 40 19.814 -6.669 -11.942 271 HA2 GLY 40 HA2 GLY 40 18.382 -7.427 -10.126 272 HA3 GLY 40 HA3 GLY 40 16.998 -7.065 -11.147 273 H GLN 41 H GLN 41 17.331 -9.527 -9.883 274 HA GLN 41 HA GLN 41 18.572 -11.539 -11.318 275 HB2 GLN 41 HB2 GLN 41 17.508 -11.843 -9.108 276 HB3 GLN 41 HB3 GLN 41 15.926 -11.718 -9.866 277 HG2 GLN 41 HG2 GLN 41 15.937 -13.882 -10.295 278 HG3 GLN 41 HG3 GLN 41 17.419 -13.711 -11.234 279 HE21 GLN 41 HE21 GLN 41 16.527 -13.576 -7.797 280 HE22 GLN 41 HE22 GLN 41 17.767 -14.652 -7.259 281 H TYR 42 H TYR 42 15.668 -9.780 -12.045 282 HA TYR 42 HA TYR 42 15.002 -11.618 -14.225 283 HB2 TYR 42 HB2 TYR 42 13.290 -9.270 -13.917 284 HB3 TYR 42 HB3 TYR 42 12.861 -10.976 -13.966 285 HD1 TYR 42 HD1 TYR 42 12.911 -8.111 -11.958 286 HD2 TYR 42 HD2 TYR 42 13.512 -12.318 -11.766 287 HE1 TYR 42 HE1 TYR 42 12.460 -8.059 -9.540 288 HE2 TYR 42 HE2 TYR 42 13.061 -12.278 -9.348 289 HH TYR 42 HH TYR 42 13.257 -10.447 -7.470 290 H GLY 43 H GLY 43 17.370 -9.963 -14.366 291 HA2 GLY 43 HA2 GLY 43 18.448 -8.531 -15.805 292 HA3 GLY 43 HA3 GLY 43 17.281 -9.104 -16.988 293 H ASN 44 H ASN 44 16.454 -7.422 -18.028 294 HA ASN 44 HA ASN 44 16.197 -4.846 -16.744 295 HB2 ASN 44 HB2 ASN 44 16.760 -5.514 -19.282 296 HB3 ASN 44 HB3 ASN 44 15.016 -5.317 -19.430 297 HD21 ASN 44 HD21 ASN 44 14.741 -3.283 -17.470 298 HD22 ASN 44 HD22 ASN 44 15.437 -1.840 -18.116 299 H ALA 45 H ALA 45 14.587 -4.813 -15.263 300 HA ALA 45 HA ALA 45 11.887 -5.523 -16.212 301 HB1 ALA 45 HB1 ALA 45 13.117 -5.896 -13.495 302 HB2 ALA 45 HB2 ALA 45 11.374 -5.928 -13.762 303 HB3 ALA 45 HB3 ALA 45 12.410 -7.115 -14.555 304 H CYS 46 H CYS 46 10.226 -4.111 -15.786 305 HA CYS 46 HA CYS 46 10.886 -1.381 -15.472 306 HB2 CYS 46 HB2 CYS 46 8.843 -2.489 -16.643 307 HB3 CYS 46 HB3 CYS 46 8.111 -2.446 -15.042 308 H TRP 47 H TRP 47 11.080 -0.151 -13.715 309 HA TRP 47 HA TRP 47 10.378 -1.338 -11.120 310 HB2 TRP 47 HB2 TRP 47 12.724 -0.768 -11.318 311 HB3 TRP 47 HB3 TRP 47 12.321 0.870 -11.826 312 HD1 TRP 47 HD1 TRP 47 11.510 2.581 -9.932 313 HE1 TRP 47 HE1 TRP 47 11.767 2.555 -7.372 314 HE3 TRP 47 HE3 TRP 47 12.789 -2.327 -9.295 315 HZ2 TRP 47 HZ2 TRP 47 12.426 0.700 -5.349 316 HZ3 TRP 47 HZ3 TRP 47 13.217 -3.148 -7.015 317 HH2 TRP 47 HH2 TRP 47 13.040 -1.664 -5.085 318 H CYS 48 H CYS 48 9.024 -0.328 -9.714 319 HA CYS 48 HA CYS 48 7.981 2.315 -10.456 320 HB2 CYS 48 HB2 CYS 48 6.387 -0.174 -9.865 321 HB3 CYS 48 HB3 CYS 48 5.696 1.436 -9.696 322 H TYR 49 H TYR 49 6.890 3.427 -8.679 323 HA TYR 49 HA TYR 49 7.987 2.610 -6.069 324 HB2 TYR 49 HB2 TYR 49 7.662 5.283 -7.368 325 HB3 TYR 49 HB3 TYR 49 7.580 5.177 -5.613 326 HD1 TYR 49 HD1 TYR 49 9.732 5.320 -8.469 327 HD2 TYR 49 HD2 TYR 49 9.554 4.118 -4.391 328 HE1 TYR 49 HE1 TYR 49 12.189 5.344 -8.361 329 HE2 TYR 49 HE2 TYR 49 12.010 4.141 -4.271 330 HH TYR 49 HH TYR 49 13.935 3.910 -5.917 331 H LYS 50 H LYS 50 6.685 2.639 -4.273 332 HA LYS 50 HA LYS 50 4.727 2.260 -3.156 333 HB2 LYS 50 HB2 LYS 50 3.858 4.762 -4.611 334 HB3 LYS 50 HB3 LYS 50 3.228 4.158 -3.085 335 HG2 LYS 50 HG2 LYS 50 6.106 4.565 -3.029 336 HG3 LYS 50 HG3 LYS 50 5.205 6.039 -3.393 337 HD2 LYS 50 HD2 LYS 50 5.323 6.036 -1.066 338 HD3 LYS 50 HD3 LYS 50 3.723 5.367 -1.395 339 HE2 LYS 50 HE2 LYS 50 4.399 3.779 0.061 340 HE3 LYS 50 HE3 LYS 50 5.170 3.104 -1.373 341 HZ1 LYS 50 HZ1 LYS 50 6.756 3.162 0.387 342 HZ2 LYS 50 HZ2 LYS 50 7.200 4.346 -0.737 343 HZ3 LYS 50 HZ3 LYS 50 6.444 4.793 0.709 344 H LEU 51 H LEU 51 4.702 0.513 -5.086 345 HA LEU 51 HA LEU 51 2.557 0.776 -6.952 346 HB2 LEU 51 HB2 LEU 51 4.360 -1.432 -6.076 347 HB3 LEU 51 HB3 LEU 51 2.918 -1.820 -7.012 348 HG LEU 51 HG LEU 51 5.203 -0.053 -7.886 349 HD11 LEU 51 HD11 LEU 51 5.001 -2.811 -7.883 350 HD12 LEU 51 HD12 LEU 51 4.537 -2.351 -9.521 351 HD13 LEU 51 HD13 LEU 51 6.094 -1.839 -8.868 352 HD21 LEU 51 HD21 LEU 51 4.011 -0.059 -10.071 353 HD22 LEU 51 HD22 LEU 51 2.624 -0.789 -9.263 354 HD23 LEU 51 HD23 LEU 51 3.167 0.823 -8.798 355 HA PRO 52 HA PRO 52 -0.870 -0.349 -4.435 356 HB2 PRO 52 HB2 PRO 52 -2.512 -1.373 -6.340 357 HB3 PRO 52 HB3 PRO 52 -2.194 0.358 -6.175 358 HG2 PRO 52 HG2 PRO 52 -0.985 -1.618 -8.071 359 HG3 PRO 52 HG3 PRO 52 -1.545 0.035 -8.384 360 HD2 PRO 52 HD2 PRO 52 1.070 -0.575 -8.038 361 HD3 PRO 52 HD3 PRO 52 0.380 0.982 -7.540 362 H ASP 53 H ASP 53 -1.480 -2.066 -3.241 363 HA ASP 53 HA ASP 53 -0.130 -4.468 -3.259 364 HB2 ASP 53 HB2 ASP 53 -1.814 -3.383 -1.530 365 HB3 ASP 53 HB3 ASP 53 -2.968 -4.451 -2.324 366 H LYS 54 H LYS 54 -2.863 -3.493 -5.162 367 HA LYS 54 HA LYS 54 -3.744 -6.080 -5.932 368 HB2 LYS 54 HB2 LYS 54 -4.970 -4.909 -7.709 369 HB3 LYS 54 HB3 LYS 54 -5.183 -4.120 -6.151 370 HG2 LYS 54 HG2 LYS 54 -4.471 -2.207 -6.998 371 HG3 LYS 54 HG3 LYS 54 -2.939 -2.954 -7.460 372 HD2 LYS 54 HD2 LYS 54 -3.690 -2.285 -9.516 373 HD3 LYS 54 HD3 LYS 54 -4.397 -3.900 -9.446 374 HE2 LYS 54 HE2 LYS 54 -6.504 -2.927 -8.644 375 HE3 LYS 54 HE3 LYS 54 -5.792 -1.318 -8.744 376 HZ1 LYS 54 HZ1 LYS 54 -6.190 -1.230 -10.914 377 HZ2 LYS 54 HZ2 LYS 54 -5.528 -2.762 -11.193 378 HZ3 LYS 54 HZ3 LYS 54 -7.149 -2.612 -10.730 379 H VAL 55 H VAL 55 -1.305 -3.880 -7.145 380 HA VAL 55 HA VAL 55 -0.821 -5.500 -9.510 381 HB VAL 55 HB VAL 55 0.426 -2.961 -8.475 382 HG11 VAL 55 HG11 VAL 55 2.314 -3.629 -9.491 383 HG12 VAL 55 HG12 VAL 55 1.498 -4.910 -10.386 384 HG13 VAL 55 HG13 VAL 55 1.449 -3.251 -10.980 385 HG21 VAL 55 HG21 VAL 55 -1.778 -2.818 -9.577 386 HG22 VAL 55 HG22 VAL 55 -0.514 -1.984 -10.481 387 HG23 VAL 55 HG23 VAL 55 -1.085 -3.565 -11.016 388 HA PRO 56 HA PRO 56 2.030 -7.985 -7.082 389 HB2 PRO 56 HB2 PRO 56 2.443 -9.829 -9.032 390 HB3 PRO 56 HB3 PRO 56 1.007 -9.826 -8.001 391 HG2 PRO 56 HG2 PRO 56 1.340 -8.783 -10.788 392 HG3 PRO 56 HG3 PRO 56 0.002 -9.719 -10.096 393 HD2 PRO 56 HD2 PRO 56 -0.122 -7.036 -10.439 394 HD3 PRO 56 HD3 PRO 56 -0.948 -7.867 -9.105 395 H ILE 57 H ILE 57 4.266 -8.567 -7.271 396 HA ILE 57 HA ILE 57 5.710 -7.045 -9.343 397 HB ILE 57 HB ILE 57 7.543 -6.755 -7.701 398 HG12 ILE 57 HG12 ILE 57 5.799 -7.290 -5.392 399 HG13 ILE 57 HG13 ILE 57 6.286 -8.729 -6.281 400 HG21 ILE 57 HG21 ILE 57 6.656 -4.768 -7.248 401 HG22 ILE 57 HG22 ILE 57 5.127 -5.368 -7.891 402 HG23 ILE 57 HG23 ILE 57 5.465 -5.486 -6.164 403 HD11 ILE 57 HD11 ILE 57 7.774 -7.158 -4.417 404 HD12 ILE 57 HD12 ILE 57 8.191 -8.699 -5.167 405 HD13 ILE 57 HD13 ILE 57 8.602 -7.186 -5.975 406 H LYS 58 H LYS 58 7.690 -7.917 -10.093 407 HA LYS 58 HA LYS 58 7.676 -10.732 -10.416 408 HB2 LYS 58 HB2 LYS 58 8.574 -9.228 -12.126 409 HB3 LYS 58 HB3 LYS 58 9.847 -8.716 -11.026 410 HG2 LYS 58 HG2 LYS 58 10.740 -10.294 -12.596 411 HG3 LYS 58 HG3 LYS 58 10.702 -11.033 -10.994 412 HD2 LYS 58 HD2 LYS 58 8.256 -11.723 -12.024 413 HD3 LYS 58 HD3 LYS 58 9.299 -11.784 -13.447 414 HE2 LYS 58 HE2 LYS 58 10.810 -13.297 -12.313 415 HE3 LYS 58 HE3 LYS 58 9.867 -13.170 -10.828 416 HZ1 LYS 58 HZ1 LYS 58 9.464 -14.874 -13.058 417 HZ2 LYS 58 HZ2 LYS 58 8.703 -14.896 -11.547 418 HZ3 LYS 58 HZ3 LYS 58 8.086 -13.930 -12.791 419 H VAL 59 H VAL 59 8.695 -12.315 -9.337 420 HA VAL 59 HA VAL 59 10.857 -11.660 -7.488 421 HB VAL 59 HB VAL 59 9.814 -13.031 -5.687 422 HG11 VAL 59 HG11 VAL 59 9.568 -10.405 -6.149 423 HG12 VAL 59 HG12 VAL 59 7.863 -10.857 -6.143 424 HG13 VAL 59 HG13 VAL 59 8.872 -11.203 -4.738 425 HG21 VAL 59 HG21 VAL 59 8.009 -14.246 -6.131 426 HG22 VAL 59 HG22 VAL 59 7.088 -12.761 -6.363 427 HG23 VAL 59 HG23 VAL 59 7.887 -13.526 -7.736 428 H SER 60 H SER 60 12.239 -13.375 -7.034 429 HA SER 60 HA SER 60 12.690 -15.248 -9.002 430 HB2 SER 60 HB2 SER 60 13.422 -15.654 -6.097 431 HB3 SER 60 HB3 SER 60 14.261 -16.286 -7.513 432 HG SER 60 HG SER 60 14.231 -13.689 -6.465 433 H GLY 61 H GLY 61 11.237 -16.692 -9.690 434 HA2 GLY 61 HA2 GLY 61 10.465 -18.854 -7.982 435 HA3 GLY 61 HA3 GLY 61 9.113 -17.787 -8.332 436 H LYS 62 H LYS 62 8.283 -17.679 -10.428 437 HA LYS 62 HA LYS 62 9.400 -18.932 -12.676 438 HB2 LYS 62 HB2 LYS 62 9.017 -21.010 -11.464 439 HB3 LYS 62 HB3 LYS 62 7.333 -20.575 -11.202 440 HG2 LYS 62 HG2 LYS 62 6.843 -20.784 -13.529 441 HG3 LYS 62 HG3 LYS 62 8.553 -20.981 -13.923 442 HD2 LYS 62 HD2 LYS 62 8.392 -23.017 -12.291 443 HD3 LYS 62 HD3 LYS 62 6.664 -22.905 -12.634 444 HE2 LYS 62 HE2 LYS 62 7.689 -24.474 -14.155 445 HE3 LYS 62 HE3 LYS 62 7.168 -23.045 -15.046 446 HZ1 LYS 62 HZ1 LYS 62 9.413 -23.866 -15.652 447 HZ2 LYS 62 HZ2 LYS 62 9.397 -22.255 -15.133 448 HZ3 LYS 62 HZ3 LYS 62 9.946 -23.474 -14.095 449 H CYS 63 H CYS 63 8.481 -17.970 -14.361 450 HA CYS 63 HA CYS 63 6.303 -16.227 -14.136 451 HB2 CYS 63 HB2 CYS 63 8.000 -17.259 -16.305 452 HB3 CYS 63 HB3 CYS 63 6.382 -16.788 -16.816 453 H ASN 64 H ASN 64 4.156 -16.373 -14.717 454 HA ASN 64 HA ASN 64 2.965 -18.964 -14.481 455 HB2 ASN 64 HB2 ASN 64 1.985 -16.160 -14.695 456 HB3 ASN 64 HB3 ASN 64 0.865 -17.445 -15.139 457 HD21 ASN 64 HD21 ASN 64 0.727 -15.598 -12.918 458 HD22 ASN 64 HD22 ASN 64 0.692 -16.558 -11.483 Start of MODEL 5 1 H1 VAL 1 H VAL 1 1.642 0.089 0.710 2 HA VAL 1 HA VAL 1 1.510 -0.563 -2.078 3 HB VAL 1 HB VAL 1 2.850 1.549 -2.710 4 HG11 VAL 1 HG11 VAL 1 0.550 0.954 -3.473 5 HG12 VAL 1 HG12 VAL 1 -0.086 1.892 -2.121 6 HG13 VAL 1 HG13 VAL 1 0.855 2.689 -3.382 7 HG21 VAL 1 HG21 VAL 1 1.289 2.820 -0.491 8 HG22 VAL 1 HG22 VAL 1 2.922 2.215 -0.214 9 HG23 VAL 1 HG23 VAL 1 2.640 3.472 -1.419 10 H ARG 2 H ARG 2 3.779 -0.422 -3.074 11 HA ARG 2 HA ARG 2 6.008 -0.446 -1.273 12 HB2 ARG 2 HB2 ARG 2 6.605 -2.769 -1.453 13 HB3 ARG 2 HB3 ARG 2 4.963 -2.666 -0.831 14 HG2 ARG 2 HG2 ARG 2 4.076 -3.680 -2.630 15 HG3 ARG 2 HG3 ARG 2 5.189 -2.896 -3.753 16 HD2 ARG 2 HD2 ARG 2 5.787 -5.249 -1.964 17 HD3 ARG 2 HD3 ARG 2 5.595 -5.281 -3.717 18 HE ARG 2 HE ARG 2 7.611 -3.566 -3.461 19 HH11 ARG 2 HH11 ARG 2 7.050 -6.643 -1.931 20 HH12 ARG 2 HH12 ARG 2 8.734 -7.018 -1.772 21 HH21 ARG 2 HH21 ARG 2 9.831 -4.049 -3.257 22 HH22 ARG 2 HH22 ARG 2 10.315 -5.541 -2.526 23 H ASP 3 H ASP 3 8.013 -0.548 -2.349 24 HA ASP 3 HA ASP 3 7.829 0.095 -5.189 25 HB2 ASP 3 HB2 ASP 3 10.401 0.185 -3.666 26 HB3 ASP 3 HB3 ASP 3 9.836 1.226 -4.969 27 H GLY 4 H GLY 4 8.756 -1.080 -6.804 28 HA2 GLY 4 HA2 GLY 4 10.772 -2.937 -6.680 29 HA3 GLY 4 HA3 GLY 4 9.320 -3.835 -6.263 30 H TYR 5 H TYR 5 10.247 -4.923 -8.316 31 HA TYR 5 HA TYR 5 9.640 -3.589 -10.798 32 HB2 TYR 5 HB2 TYR 5 10.429 -6.453 -10.227 33 HB3 TYR 5 HB3 TYR 5 10.290 -5.746 -11.833 34 HD1 TYR 5 HD1 TYR 5 11.830 -3.828 -12.443 35 HD2 TYR 5 HD2 TYR 5 12.409 -6.227 -8.977 36 HE1 TYR 5 HE1 TYR 5 14.168 -3.076 -12.320 37 HE2 TYR 5 HE2 TYR 5 14.749 -5.480 -8.844 38 HH TYR 5 HH TYR 5 16.319 -4.179 -9.715 39 H ILE 6 H ILE 6 7.814 -3.703 -11.949 40 HA ILE 6 HA ILE 6 5.525 -5.033 -10.806 41 HB ILE 6 HB ILE 6 4.204 -3.820 -12.268 42 HG12 ILE 6 HG12 ILE 6 6.594 -3.679 -14.114 43 HG13 ILE 6 HG13 ILE 6 5.121 -4.610 -14.361 44 HG21 ILE 6 HG21 ILE 6 6.344 -1.831 -12.513 45 HG22 ILE 6 HG22 ILE 6 4.771 -1.718 -11.724 46 HG23 ILE 6 HG23 ILE 6 6.123 -2.481 -10.888 47 HD11 ILE 6 HD11 ILE 6 5.678 -2.046 -15.282 48 HD12 ILE 6 HD12 ILE 6 4.131 -2.891 -15.336 49 HD13 ILE 6 HD13 ILE 6 4.509 -1.828 -13.980 50 H ALA 7 H ALA 7 4.259 -6.626 -11.802 51 HA ALA 7 HA ALA 7 5.637 -8.152 -13.916 52 HB1 ALA 7 HB1 ALA 7 5.794 -9.486 -11.996 53 HB2 ALA 7 HB2 ALA 7 4.145 -9.112 -11.495 54 HB3 ALA 7 HB3 ALA 7 4.428 -10.152 -12.890 55 H ASP 8 H ASP 8 4.219 -9.453 -15.297 56 HA ASP 8 HA ASP 8 1.767 -7.981 -15.907 57 HB2 ASP 8 HB2 ASP 8 1.847 -9.232 -18.064 58 HB3 ASP 8 HB3 ASP 8 3.281 -8.252 -17.769 59 H ASP 9 H ASP 9 0.256 -9.790 -17.223 60 HA ASP 9 HA ASP 9 -1.120 -11.114 -15.188 61 HB2 ASP 9 HB2 ASP 9 -2.017 -10.454 -17.457 62 HB3 ASP 9 HB3 ASP 9 -1.200 -11.870 -18.111 63 H LYS 10 H LYS 10 1.671 -12.046 -16.944 64 HA LYS 10 HA LYS 10 1.376 -14.852 -16.142 65 HB2 LYS 10 HB2 LYS 10 3.466 -13.606 -17.935 66 HB3 LYS 10 HB3 LYS 10 3.206 -15.325 -17.668 67 HG2 LYS 10 HG2 LYS 10 0.783 -14.046 -18.562 68 HG3 LYS 10 HG3 LYS 10 2.114 -13.746 -19.681 69 HD2 LYS 10 HD2 LYS 10 1.092 -15.748 -20.410 70 HD3 LYS 10 HD3 LYS 10 2.574 -16.237 -19.586 71 HE2 LYS 10 HE2 LYS 10 0.086 -16.065 -17.975 72 HE3 LYS 10 HE3 LYS 10 0.233 -17.403 -19.113 73 HZ1 LYS 10 HZ1 LYS 10 2.648 -17.284 -17.802 74 HZ2 LYS 10 HZ2 LYS 10 1.490 -17.049 -16.591 75 HZ3 LYS 10 HZ3 LYS 10 1.423 -18.428 -17.569 76 H ASN 11 H ASN 11 2.051 -12.554 -14.346 77 HA ASN 11 HA ASN 11 3.493 -12.026 -12.660 78 HB2 ASN 11 HB2 ASN 11 2.780 -14.468 -12.196 79 HB3 ASN 11 HB3 ASN 11 4.405 -14.892 -12.727 80 HD21 ASN 11 HD21 ASN 11 6.092 -14.588 -11.383 81 HD22 ASN 11 HD22 ASN 11 5.956 -13.958 -9.780 82 H CYS 12 H CYS 12 4.501 -11.853 -15.423 83 HA CYS 12 HA CYS 12 7.363 -12.370 -15.018 84 HB2 CYS 12 HB2 CYS 12 5.714 -11.854 -17.490 85 HB3 CYS 12 HB3 CYS 12 7.474 -11.802 -17.508 86 H ALA 13 H ALA 13 8.845 -10.756 -14.963 87 HA ALA 13 HA ALA 13 8.054 -8.169 -14.223 88 HB1 ALA 13 HB1 ALA 13 10.155 -8.197 -13.513 89 HB2 ALA 13 HB2 ALA 13 10.510 -9.615 -14.500 90 HB3 ALA 13 HB3 ALA 13 10.690 -7.998 -15.182 91 H TYR 14 H TYR 14 7.901 -6.255 -15.312 92 HA TYR 14 HA TYR 14 7.255 -6.332 -18.060 93 HB2 TYR 14 HB2 TYR 14 7.472 -4.245 -15.968 94 HB3 TYR 14 HB3 TYR 14 7.610 -3.692 -17.633 95 HD1 TYR 14 HD1 TYR 14 5.601 -2.567 -18.025 96 HD2 TYR 14 HD2 TYR 14 5.505 -6.435 -16.255 97 HE1 TYR 14 HE1 TYR 14 3.152 -2.598 -18.241 98 HE2 TYR 14 HE2 TYR 14 3.055 -6.477 -16.468 99 HH TYR 14 HH TYR 14 1.276 -5.469 -17.473 100 H PHE 15 H PHE 15 8.923 -7.052 -19.325 101 HA PHE 15 HA PHE 15 11.590 -6.078 -19.111 102 HB2 PHE 15 HB2 PHE 15 10.392 -7.391 -21.547 103 HB3 PHE 15 HB3 PHE 15 12.071 -7.411 -21.019 104 HD1 PHE 15 HD1 PHE 15 9.672 -9.580 -21.558 105 HD2 PHE 15 HD2 PHE 15 11.874 -8.134 -18.215 106 HE1 PHE 15 HE1 PHE 15 9.271 -11.703 -20.380 107 HE2 PHE 15 HE2 PHE 15 11.476 -10.254 -17.032 108 HZ PHE 15 HZ PHE 15 10.174 -12.042 -18.114 109 H CYS 16 H CYS 16 10.999 -3.764 -19.102 110 HA CYS 16 HA CYS 16 10.171 -2.608 -21.624 111 HB2 CYS 16 HB2 CYS 16 10.372 -0.452 -20.433 112 HB3 CYS 16 HB3 CYS 16 9.363 -1.600 -19.559 113 H GLY 17 H GLY 17 11.575 -0.404 -22.024 114 HA2 GLY 17 HA2 GLY 17 14.427 -0.967 -21.905 115 HA3 GLY 17 HA3 GLY 17 13.719 -0.963 -23.513 116 H ARG 18 H ARG 18 12.280 1.161 -21.248 117 HA ARG 18 HA ARG 18 13.985 3.410 -21.884 118 HB2 ARG 18 HB2 ARG 18 11.662 2.853 -23.456 119 HB3 ARG 18 HB3 ARG 18 11.372 4.315 -22.524 120 HG2 ARG 18 HG2 ARG 18 13.441 5.282 -23.409 121 HG3 ARG 18 HG3 ARG 18 13.707 3.820 -24.360 122 HD2 ARG 18 HD2 ARG 18 11.108 4.589 -24.972 123 HD3 ARG 18 HD3 ARG 18 12.011 6.102 -24.903 124 HE ARG 18 HE ARG 18 12.213 4.070 -26.901 125 HH11 ARG 18 HH11 ARG 18 13.972 6.571 -25.237 126 HH12 ARG 18 HH12 ARG 18 15.100 6.818 -26.529 127 HH21 ARG 18 HH21 ARG 18 13.691 4.386 -28.609 128 HH22 ARG 18 HH22 ARG 18 14.938 5.576 -28.447 129 H ASN 19 H ASN 19 13.957 4.897 -20.297 130 HA ASN 19 HA ASN 19 12.728 4.378 -17.849 131 HB2 ASN 19 HB2 ASN 19 14.629 5.761 -17.778 132 HB3 ASN 19 HB3 ASN 19 13.997 6.844 -19.014 133 HD21 ASN 19 HD21 ASN 19 13.644 8.753 -18.157 134 HD22 ASN 19 HD22 ASN 19 12.898 9.062 -16.629 135 H ALA 20 H ALA 20 11.921 6.957 -20.180 136 HA ALA 20 HA ALA 20 9.693 7.993 -18.958 137 HB1 ALA 20 HB1 ALA 20 9.987 7.594 -21.931 138 HB2 ALA 20 HB2 ALA 20 9.001 8.806 -21.113 139 HB3 ALA 20 HB3 ALA 20 10.760 8.884 -21.012 140 H TYR 21 H TYR 21 9.822 5.228 -21.186 141 HA TYR 21 HA TYR 21 7.122 4.677 -21.391 142 HB2 TYR 21 HB2 TYR 21 8.607 3.457 -22.777 143 HB3 TYR 21 HB3 TYR 21 9.527 2.859 -21.401 144 HD1 TYR 21 HD1 TYR 21 6.298 2.570 -23.187 145 HD2 TYR 21 HD2 TYR 21 8.905 0.860 -20.291 146 HE1 TYR 21 HE1 TYR 21 4.927 0.528 -23.167 147 HE2 TYR 21 HE2 TYR 21 7.542 -1.187 -20.264 148 HH TYR 21 HH TYR 21 5.440 -2.027 -22.557 149 H CYS 22 H CYS 22 9.416 3.340 -19.013 150 HA CYS 22 HA CYS 22 7.589 1.825 -17.553 151 HB2 CYS 22 HB2 CYS 22 10.277 2.970 -17.048 152 HB3 CYS 22 HB3 CYS 22 9.347 2.508 -15.626 153 H ASP 23 H ASP 23 8.709 5.151 -16.963 154 HA ASP 23 HA ASP 23 7.319 5.743 -14.674 155 HB2 ASP 23 HB2 ASP 23 8.932 7.240 -15.916 156 HB3 ASP 23 HB3 ASP 23 7.601 7.663 -16.990 157 H GLU 24 H GLU 24 6.113 5.673 -17.985 158 HA GLU 24 HA GLU 24 3.566 6.782 -17.414 159 HB2 GLU 24 HB2 GLU 24 4.645 5.139 -19.692 160 HB3 GLU 24 HB3 GLU 24 2.954 5.614 -19.623 161 HG2 GLU 24 HG2 GLU 24 5.191 7.606 -19.450 162 HG3 GLU 24 HG3 GLU 24 4.506 7.076 -20.985 163 H GLU 25 H GLU 25 4.497 3.411 -18.134 164 HA GLU 25 HA GLU 25 2.055 2.232 -17.539 165 HB2 GLU 25 HB2 GLU 25 4.691 0.901 -16.955 166 HB3 GLU 25 HB3 GLU 25 3.190 0.158 -17.491 167 HG2 GLU 25 HG2 GLU 25 5.198 1.708 -19.061 168 HG3 GLU 25 HG3 GLU 25 4.494 0.127 -19.394 169 H CYS 26 H CYS 26 4.642 3.253 -15.416 170 HA CYS 26 HA CYS 26 3.833 1.883 -13.092 171 HB2 CYS 26 HB2 CYS 26 5.450 4.380 -13.556 172 HB3 CYS 26 HB3 CYS 26 5.095 3.807 -11.930 173 H LYS 27 H LYS 27 3.517 5.387 -13.668 174 HA LYS 27 HA LYS 27 1.653 5.865 -11.662 175 HB2 LYS 27 HB2 LYS 27 2.835 7.692 -12.688 176 HB3 LYS 27 HB3 LYS 27 2.143 7.323 -14.262 177 HG2 LYS 27 HG2 LYS 27 0.069 8.181 -13.699 178 HG3 LYS 27 HG3 LYS 27 0.366 8.030 -11.965 179 HD2 LYS 27 HD2 LYS 27 1.816 9.893 -11.952 180 HD3 LYS 27 HD3 LYS 27 1.946 9.902 -13.712 181 HE2 LYS 27 HE2 LYS 27 -0.546 10.381 -13.745 182 HE3 LYS 27 HE3 LYS 27 -0.410 10.684 -12.014 183 HZ1 LYS 27 HZ1 LYS 27 0.532 12.279 -14.256 184 HZ2 LYS 27 HZ2 LYS 27 -0.037 12.770 -12.741 185 HZ3 LYS 27 HZ3 LYS 27 1.552 12.216 -12.908 186 H LYS 28 H LYS 28 1.198 4.781 -14.966 187 HA LYS 28 HA LYS 28 -1.536 5.214 -15.257 188 HB2 LYS 28 HB2 LYS 28 0.374 3.208 -16.404 189 HB3 LYS 28 HB3 LYS 28 -1.347 3.065 -16.740 190 HG2 LYS 28 HG2 LYS 28 -0.300 5.755 -17.160 191 HG3 LYS 28 HG3 LYS 28 0.444 4.530 -18.191 192 HD2 LYS 28 HD2 LYS 28 -2.370 4.073 -18.108 193 HD3 LYS 28 HD3 LYS 28 -2.084 5.775 -18.481 194 HE2 LYS 28 HE2 LYS 28 -0.425 3.780 -19.910 195 HE3 LYS 28 HE3 LYS 28 -2.130 3.864 -20.349 196 HZ1 LYS 28 HZ1 LYS 28 -0.937 5.336 -21.757 197 HZ2 LYS 28 HZ2 LYS 28 -1.803 6.296 -20.665 198 HZ3 LYS 28 HZ3 LYS 28 -0.140 6.062 -20.453 199 H LYS 29 H LYS 29 0.199 2.686 -13.560 200 HA LYS 29 HA LYS 29 -2.201 1.145 -13.059 201 HB2 LYS 29 HB2 LYS 29 0.698 0.850 -12.365 202 HB3 LYS 29 HB3 LYS 29 -0.503 -0.086 -11.485 203 HG2 LYS 29 HG2 LYS 29 -1.310 -1.006 -13.628 204 HG3 LYS 29 HG3 LYS 29 -0.023 -0.127 -14.457 205 HD2 LYS 29 HD2 LYS 29 1.496 -1.374 -12.700 206 HD3 LYS 29 HD3 LYS 29 0.139 -2.502 -12.664 207 HE2 LYS 29 HE2 LYS 29 1.727 -1.660 -15.087 208 HE3 LYS 29 HE3 LYS 29 1.775 -3.232 -14.290 209 HZ1 LYS 29 HZ1 LYS 29 0.166 -3.856 -15.658 210 HZ2 LYS 29 HZ2 LYS 29 -0.877 -2.767 -14.889 211 HZ3 LYS 29 HZ3 LYS 29 -0.022 -2.289 -16.268 212 H GLY 30 H GLY 30 -0.402 3.665 -11.539 213 HA2 GLY 30 HA2 GLY 30 -1.953 4.793 -9.836 214 HA3 GLY 30 HA3 GLY 30 -1.861 3.243 -9.014 215 H ALA 31 H ALA 31 1.050 3.200 -10.112 216 HA ALA 31 HA ALA 31 2.348 3.856 -7.751 217 HB1 ALA 31 HB1 ALA 31 3.569 3.874 -10.507 218 HB2 ALA 31 HB2 ALA 31 4.415 3.656 -8.975 219 HB3 ALA 31 HB3 ALA 31 3.283 2.427 -9.540 220 H GLU 32 H GLU 32 4.097 5.531 -7.511 221 HA GLU 32 HA GLU 32 2.977 8.135 -8.206 222 HB2 GLU 32 HB2 GLU 32 3.741 7.399 -5.839 223 HB3 GLU 32 HB3 GLU 32 5.366 7.704 -6.437 224 HG2 GLU 32 HG2 GLU 32 4.379 10.012 -7.127 225 HG3 GLU 32 HG3 GLU 32 3.145 9.623 -5.931 226 H SER 33 H SER 33 5.697 6.099 -8.903 227 HA SER 33 HA SER 33 6.452 7.438 -11.212 228 HB2 SER 33 HB2 SER 33 7.460 8.690 -8.809 229 HB3 SER 33 HB3 SER 33 8.792 8.097 -9.802 230 HG SER 33 HG SER 33 8.346 10.087 -10.588 231 H GLY 34 H GLY 34 8.394 6.566 -12.191 232 HA2 GLY 34 HA2 GLY 34 9.946 4.561 -10.891 233 HA3 GLY 34 HA3 GLY 34 8.695 3.835 -11.890 234 H TYR 35 H TYR 35 11.013 3.084 -12.691 235 HA TYR 35 HA TYR 35 11.423 4.507 -15.188 236 HB2 TYR 35 HB2 TYR 35 13.938 4.454 -14.829 237 HB3 TYR 35 HB3 TYR 35 13.051 5.659 -13.902 238 HD1 TYR 35 HD1 TYR 35 12.815 5.447 -11.488 239 HD2 TYR 35 HD2 TYR 35 14.988 2.561 -13.736 240 HE1 TYR 35 HE1 TYR 35 13.802 4.580 -9.409 241 HE2 TYR 35 HE2 TYR 35 15.980 1.685 -11.663 242 HH TYR 35 HH TYR 35 16.071 3.262 -8.859 243 H CYS 36 H CYS 36 13.477 3.256 -16.284 244 HA CYS 36 HA CYS 36 12.686 0.425 -16.216 245 HB2 CYS 36 HB2 CYS 36 12.498 1.874 -18.355 246 HB3 CYS 36 HB3 CYS 36 14.249 1.709 -18.440 247 H GLN 37 H GLN 37 14.056 -0.081 -14.440 248 HA GLN 37 HA GLN 37 16.872 0.390 -14.548 249 HB2 GLN 37 HB2 GLN 37 15.408 0.025 -12.467 250 HB3 GLN 37 HB3 GLN 37 15.527 -1.690 -12.838 251 HG2 GLN 37 HG2 GLN 37 17.779 -1.776 -12.363 252 HG3 GLN 37 HG3 GLN 37 18.007 -0.048 -12.624 253 HE21 GLN 37 HE21 GLN 37 15.577 -1.688 -10.663 254 HE22 GLN 37 HE22 GLN 37 16.069 -1.001 -9.156 255 H TRP 38 H TRP 38 18.175 -0.598 -15.933 256 HA TRP 38 HA TRP 38 17.474 -3.139 -17.108 257 HB2 TRP 38 HB2 TRP 38 19.738 -2.821 -18.260 258 HB3 TRP 38 HB3 TRP 38 18.486 -1.634 -18.616 259 HD1 TRP 38 HD1 TRP 38 21.628 -1.990 -16.377 260 HE1 TRP 38 HE1 TRP 38 22.643 0.353 -16.057 261 HE3 TRP 38 HE3 TRP 38 18.081 0.771 -18.814 262 HZ2 TRP 38 HZ2 TRP 38 22.023 3.020 -16.746 263 HZ3 TRP 38 HZ3 TRP 38 18.367 3.212 -18.937 264 HH2 TRP 38 HH2 TRP 38 20.297 4.311 -17.924 265 H ALA 39 H ALA 39 17.656 -3.625 -14.487 266 HA ALA 39 HA ALA 39 19.849 -5.493 -14.352 267 HB1 ALA 39 HB1 ALA 39 21.235 -4.374 -13.028 268 HB2 ALA 39 HB2 ALA 39 20.209 -2.951 -13.207 269 HB3 ALA 39 HB3 ALA 39 19.940 -4.069 -11.870 270 H GLY 40 H GLY 40 19.783 -6.636 -12.108 271 HA2 GLY 40 HA2 GLY 40 18.304 -7.157 -10.209 272 HA3 GLY 40 HA3 GLY 40 16.952 -6.924 -11.307 273 H GLN 41 H GLN 41 17.317 -9.237 -9.759 274 HA GLN 41 HA GLN 41 18.607 -11.368 -10.950 275 HB2 GLN 41 HB2 GLN 41 17.491 -11.440 -8.739 276 HB3 GLN 41 HB3 GLN 41 15.930 -11.450 -9.548 277 HG2 GLN 41 HG2 GLN 41 16.195 -13.674 -9.159 278 HG3 GLN 41 HG3 GLN 41 16.928 -13.552 -10.757 279 HE21 GLN 41 HE21 GLN 41 18.026 -12.883 -7.447 280 HE22 GLN 41 HE22 GLN 41 19.463 -13.837 -7.549 281 H TYR 42 H TYR 42 15.649 -9.783 -11.881 282 HA TYR 42 HA TYR 42 15.116 -11.832 -13.907 283 HB2 TYR 42 HB2 TYR 42 13.262 -9.574 -13.791 284 HB3 TYR 42 HB3 TYR 42 12.936 -11.302 -13.726 285 HD1 TYR 42 HD1 TYR 42 12.919 -8.282 -11.896 286 HD2 TYR 42 HD2 TYR 42 13.497 -12.474 -11.457 287 HE1 TYR 42 HE1 TYR 42 12.428 -8.092 -9.493 288 HE2 TYR 42 HE2 TYR 42 13.006 -12.296 -9.053 289 HH TYR 42 HH TYR 42 12.858 -9.308 -7.425 290 H GLY 43 H GLY 43 17.386 -10.092 -14.185 291 HA2 GLY 43 HA2 GLY 43 18.411 -8.772 -15.759 292 HA3 GLY 43 HA3 GLY 43 17.197 -9.392 -16.868 293 H ASN 44 H ASN 44 16.367 -7.738 -17.955 294 HA ASN 44 HA ASN 44 16.139 -5.119 -16.754 295 HB2 ASN 44 HB2 ASN 44 15.821 -6.260 -19.484 296 HB3 ASN 44 HB3 ASN 44 14.946 -4.775 -19.123 297 HD21 ASN 44 HD21 ASN 44 18.103 -5.877 -17.982 298 HD22 ASN 44 HD22 ASN 44 18.999 -4.555 -18.642 299 H ALA 45 H ALA 45 14.525 -4.856 -15.338 300 HA ALA 45 HA ALA 45 11.816 -5.625 -16.199 301 HB1 ALA 45 HB1 ALA 45 11.304 -6.034 -13.771 302 HB2 ALA 45 HB2 ALA 45 12.384 -7.208 -14.524 303 HB3 ALA 45 HB3 ALA 45 13.040 -5.956 -13.469 304 H CYS 46 H CYS 46 10.191 -4.173 -15.783 305 HA CYS 46 HA CYS 46 10.906 -1.455 -15.493 306 HB2 CYS 46 HB2 CYS 46 8.851 -2.489 -16.667 307 HB3 CYS 46 HB3 CYS 46 8.119 -2.504 -15.066 308 H TRP 47 H TRP 47 11.091 -0.193 -13.752 309 HA TRP 47 HA TRP 47 10.399 -1.354 -11.142 310 HB2 TRP 47 HB2 TRP 47 12.756 -0.807 -11.376 311 HB3 TRP 47 HB3 TRP 47 12.356 0.838 -11.862 312 HD1 TRP 47 HD1 TRP 47 11.618 2.543 -9.946 313 HE1 TRP 47 HE1 TRP 47 11.887 2.485 -7.387 314 HE3 TRP 47 HE3 TRP 47 12.776 -2.402 -9.365 315 HZ2 TRP 47 HZ2 TRP 47 12.509 0.593 -5.387 316 HZ3 TRP 47 HZ3 TRP 47 13.194 -3.256 -7.095 317 HH2 TRP 47 HH2 TRP 47 13.064 -1.788 -5.149 318 H CYS 48 H CYS 48 9.062 -0.319 -9.740 319 HA CYS 48 HA CYS 48 8.062 2.340 -10.481 320 HB2 CYS 48 HB2 CYS 48 6.388 -0.097 -9.861 321 HB3 CYS 48 HB3 CYS 48 5.751 1.544 -9.823 322 H TYR 49 H TYR 49 6.978 3.460 -8.709 323 HA TYR 49 HA TYR 49 8.029 2.600 -6.094 324 HB2 TYR 49 HB2 TYR 49 7.744 5.294 -7.365 325 HB3 TYR 49 HB3 TYR 49 7.667 5.163 -5.612 326 HD1 TYR 49 HD1 TYR 49 9.810 5.258 -8.491 327 HD2 TYR 49 HD2 TYR 49 9.631 4.121 -4.395 328 HE1 TYR 49 HE1 TYR 49 12.268 5.248 -8.392 329 HE2 TYR 49 HE2 TYR 49 12.088 4.109 -4.285 330 HH TYR 49 HH TYR 49 14.033 5.554 -6.451 331 H LYS 50 H LYS 50 6.707 2.622 -4.315 332 HA LYS 50 HA LYS 50 4.739 2.291 -3.207 333 HB2 LYS 50 HB2 LYS 50 3.907 4.776 -4.714 334 HB3 LYS 50 HB3 LYS 50 3.230 4.191 -3.200 335 HG2 LYS 50 HG2 LYS 50 6.108 4.586 -3.068 336 HG3 LYS 50 HG3 LYS 50 5.224 6.060 -3.469 337 HD2 LYS 50 HD2 LYS 50 5.271 6.082 -1.142 338 HD3 LYS 50 HD3 LYS 50 3.683 5.404 -1.506 339 HE2 LYS 50 HE2 LYS 50 4.746 3.124 -1.286 340 HE3 LYS 50 HE3 LYS 50 6.170 3.941 -0.643 341 HZ1 LYS 50 HZ1 LYS 50 3.534 4.469 0.550 342 HZ2 LYS 50 HZ2 LYS 50 4.361 3.050 0.959 343 HZ3 LYS 50 HZ3 LYS 50 5.069 4.558 1.258 344 H LEU 51 H LEU 51 4.749 0.525 -5.137 345 HA LEU 51 HA LEU 51 2.623 0.757 -7.021 346 HB2 LEU 51 HB2 LEU 51 4.465 -1.392 -6.121 347 HB3 LEU 51 HB3 LEU 51 2.996 -1.868 -6.969 348 HG LEU 51 HG LEU 51 5.161 -0.059 -8.040 349 HD11 LEU 51 HD11 LEU 51 5.154 -2.805 -7.840 350 HD12 LEU 51 HD12 LEU 51 4.555 -2.514 -9.473 351 HD13 LEU 51 HD13 LEU 51 6.109 -1.847 -8.972 352 HD21 LEU 51 HD21 LEU 51 3.008 0.615 -8.898 353 HD22 LEU 51 HD22 LEU 51 3.904 -0.232 -10.160 354 HD23 LEU 51 HD23 LEU 51 2.607 -1.056 -9.296 355 HA PRO 52 HA PRO 52 -0.815 -0.284 -4.474 356 HB2 PRO 52 HB2 PRO 52 -2.509 -1.175 -6.400 357 HB3 PRO 52 HB3 PRO 52 -2.127 0.536 -6.173 358 HG2 PRO 52 HG2 PRO 52 -1.006 -1.409 -8.154 359 HG3 PRO 52 HG3 PRO 52 -1.508 0.274 -8.399 360 HD2 PRO 52 HD2 PRO 52 1.086 -0.444 -8.101 361 HD3 PRO 52 HD3 PRO 52 0.456 1.117 -7.538 362 H ASP 53 H ASP 53 -1.391 -2.017 -3.303 363 HA ASP 53 HA ASP 53 -0.158 -4.458 -3.427 364 HB2 ASP 53 HB2 ASP 53 -1.816 -3.383 -1.662 365 HB3 ASP 53 HB3 ASP 53 -2.993 -4.399 -2.490 366 H LYS 54 H LYS 54 -2.884 -3.344 -5.271 367 HA LYS 54 HA LYS 54 -3.888 -5.836 -6.124 368 HB2 LYS 54 HB2 LYS 54 -3.963 -3.145 -7.502 369 HB3 LYS 54 HB3 LYS 54 -4.920 -4.543 -7.973 370 HG2 LYS 54 HG2 LYS 54 -5.933 -4.509 -5.684 371 HG3 LYS 54 HG3 LYS 54 -5.107 -2.972 -5.416 372 HD2 LYS 54 HD2 LYS 54 -6.865 -3.376 -7.810 373 HD3 LYS 54 HD3 LYS 54 -7.556 -2.947 -6.244 374 HE2 LYS 54 HE2 LYS 54 -5.437 -1.390 -7.724 375 HE3 LYS 54 HE3 LYS 54 -7.147 -0.970 -7.636 376 HZ1 LYS 54 HZ1 LYS 54 -6.464 0.265 -5.908 377 HZ2 LYS 54 HZ2 LYS 54 -6.538 -1.191 -5.049 378 HZ3 LYS 54 HZ3 LYS 54 -5.057 -0.641 -5.655 379 H VAL 55 H VAL 55 -1.407 -3.695 -7.450 380 HA VAL 55 HA VAL 55 -0.917 -5.459 -9.697 381 HB VAL 55 HB VAL 55 0.538 -2.967 -8.800 382 HG11 VAL 55 HG11 VAL 55 0.808 -4.546 -11.357 383 HG12 VAL 55 HG12 VAL 55 1.605 -3.014 -10.999 384 HG13 VAL 55 HG13 VAL 55 2.005 -4.455 -10.064 385 HG21 VAL 55 HG21 VAL 55 -0.707 -1.770 -10.358 386 HG22 VAL 55 HG22 VAL 55 -1.201 -3.223 -11.227 387 HG23 VAL 55 HG23 VAL 55 -1.899 -2.859 -9.649 388 HA PRO 56 HA PRO 56 1.909 -7.868 -7.178 389 HB2 PRO 56 HB2 PRO 56 2.357 -9.760 -9.072 390 HB3 PRO 56 HB3 PRO 56 0.902 -9.731 -8.068 391 HG2 PRO 56 HG2 PRO 56 1.287 -8.760 -10.873 392 HG3 PRO 56 HG3 PRO 56 -0.063 -9.678 -10.183 393 HD2 PRO 56 HD2 PRO 56 -0.180 -7.005 -10.597 394 HD3 PRO 56 HD3 PRO 56 -1.031 -7.802 -9.258 395 H ILE 57 H ILE 57 4.149 -8.469 -7.322 396 HA ILE 57 HA ILE 57 5.630 -6.982 -9.392 397 HB ILE 57 HB ILE 57 7.451 -6.721 -7.707 398 HG12 ILE 57 HG12 ILE 57 5.605 -7.125 -5.450 399 HG13 ILE 57 HG13 ILE 57 6.080 -8.606 -6.274 400 HG21 ILE 57 HG21 ILE 57 5.142 -5.235 -8.064 401 HG22 ILE 57 HG22 ILE 57 5.313 -5.353 -6.313 402 HG23 ILE 57 HG23 ILE 57 6.629 -4.695 -7.285 403 HD11 ILE 57 HD11 ILE 57 7.906 -8.590 -5.027 404 HD12 ILE 57 HD12 ILE 57 8.445 -7.189 -5.952 405 HD13 ILE 57 HD13 ILE 57 7.567 -6.963 -4.439 406 H LYS 58 H LYS 58 7.614 -7.874 -10.106 407 HA LYS 58 HA LYS 58 7.590 -10.689 -10.405 408 HB2 LYS 58 HB2 LYS 58 8.530 -9.285 -12.134 409 HB3 LYS 58 HB3 LYS 58 9.727 -8.641 -11.017 410 HG2 LYS 58 HG2 LYS 58 10.732 -10.266 -12.499 411 HG3 LYS 58 HG3 LYS 58 10.746 -10.860 -10.837 412 HD2 LYS 58 HD2 LYS 58 8.629 -12.114 -11.394 413 HD3 LYS 58 HD3 LYS 58 8.913 -11.684 -13.082 414 HE2 LYS 58 HE2 LYS 58 11.302 -12.687 -12.563 415 HE3 LYS 58 HE3 LYS 58 10.410 -13.549 -11.310 416 HZ1 LYS 58 HZ1 LYS 58 8.814 -14.098 -13.252 417 HZ2 LYS 58 HZ2 LYS 58 10.141 -13.730 -14.234 418 HZ3 LYS 58 HZ3 LYS 58 10.254 -14.972 -13.090 419 H VAL 59 H VAL 59 8.767 -12.283 -9.439 420 HA VAL 59 HA VAL 59 10.740 -11.558 -7.406 421 HB VAL 59 HB VAL 59 9.727 -13.211 -5.815 422 HG11 VAL 59 HG11 VAL 59 7.647 -11.142 -6.184 423 HG12 VAL 59 HG12 VAL 59 8.590 -11.564 -4.754 424 HG13 VAL 59 HG13 VAL 59 9.310 -10.576 -6.025 425 HG21 VAL 59 HG21 VAL 59 8.006 -14.470 -6.435 426 HG22 VAL 59 HG22 VAL 59 7.031 -13.026 -6.713 427 HG23 VAL 59 HG23 VAL 59 8.014 -13.691 -8.017 428 H SER 60 H SER 60 12.157 -13.277 -6.821 429 HA SER 60 HA SER 60 13.106 -14.827 -8.877 430 HB2 SER 60 HB2 SER 60 13.882 -16.320 -6.742 431 HB3 SER 60 HB3 SER 60 14.669 -14.819 -7.230 432 HG SER 60 HG SER 60 14.005 -14.996 -4.956 433 H GLY 61 H GLY 61 12.583 -16.712 -9.805 434 HA2 GLY 61 HA2 GLY 61 11.514 -18.974 -8.710 435 HA3 GLY 61 HA3 GLY 61 10.110 -17.984 -9.079 436 H LYS 62 H LYS 62 9.249 -18.201 -11.034 437 HA LYS 62 HA LYS 62 10.738 -18.485 -13.417 438 HB2 LYS 62 HB2 LYS 62 11.124 -20.752 -12.554 439 HB3 LYS 62 HB3 LYS 62 9.389 -20.999 -12.413 440 HG2 LYS 62 HG2 LYS 62 9.654 -21.991 -14.412 441 HG3 LYS 62 HG3 LYS 62 9.539 -20.334 -15.008 442 HD2 LYS 62 HD2 LYS 62 12.207 -21.405 -14.215 443 HD3 LYS 62 HD3 LYS 62 11.509 -21.905 -15.757 444 HE2 LYS 62 HE2 LYS 62 11.097 -19.291 -15.977 445 HE3 LYS 62 HE3 LYS 62 12.469 -19.236 -14.872 446 HZ1 LYS 62 HZ1 LYS 62 12.787 -19.289 -17.469 447 HZ2 LYS 62 HZ2 LYS 62 13.879 -20.057 -16.430 448 HZ3 LYS 62 HZ3 LYS 62 12.688 -20.960 -17.223 449 H CYS 63 H CYS 63 9.513 -17.545 -14.902 450 HA CYS 63 HA CYS 63 6.600 -17.948 -14.799 451 HB2 CYS 63 HB2 CYS 63 6.140 -15.684 -15.081 452 HB3 CYS 63 HB3 CYS 63 7.506 -15.652 -13.971 453 H ASN 64 H ASN 64 5.609 -17.059 -16.950 454 HA ASN 64 HA ASN 64 6.790 -18.589 -19.060 455 HB2 ASN 64 HB2 ASN 64 4.333 -16.872 -18.827 456 HB3 ASN 64 HB3 ASN 64 4.851 -17.495 -20.391 457 HD21 ASN 64 HD21 ASN 64 3.856 -19.274 -20.959 458 HD22 ASN 64 HD22 ASN 64 3.290 -20.515 -19.899 Start of MODEL 6 1 H1 VAL 1 H VAL 1 1.674 0.580 0.780 2 HA VAL 1 HA VAL 1 1.607 -0.544 -1.946 3 HB VAL 1 HB VAL 1 2.956 1.574 -2.546 4 HG11 VAL 1 HG11 VAL 1 0.950 2.763 -3.118 5 HG12 VAL 1 HG12 VAL 1 0.644 1.034 -3.288 6 HG13 VAL 1 HG13 VAL 1 0.034 1.903 -1.880 7 HG21 VAL 1 HG21 VAL 1 2.626 3.511 -1.205 8 HG22 VAL 1 HG22 VAL 1 1.504 2.662 -0.142 9 HG23 VAL 1 HG23 VAL 1 3.216 2.239 -0.135 10 H ARG 2 H ARG 2 3.869 -0.340 -2.994 11 HA ARG 2 HA ARG 2 6.143 -0.444 -1.273 12 HB2 ARG 2 HB2 ARG 2 6.688 -2.860 -1.872 13 HB3 ARG 2 HB3 ARG 2 5.443 -2.610 -0.655 14 HG2 ARG 2 HG2 ARG 2 3.787 -3.415 -1.980 15 HG3 ARG 2 HG3 ARG 2 4.556 -2.859 -3.468 16 HD2 ARG 2 HD2 ARG 2 5.996 -4.693 -3.549 17 HD3 ARG 2 HD3 ARG 2 5.751 -5.077 -1.846 18 HE ARG 2 HE ARG 2 4.210 -6.017 -4.036 19 HH11 ARG 2 HH11 ARG 2 3.966 -5.017 -0.711 20 HH12 ARG 2 HH12 ARG 2 2.566 -5.986 -0.386 21 HH21 ARG 2 HH21 ARG 2 2.368 -7.296 -3.622 22 HH22 ARG 2 HH22 ARG 2 1.659 -7.283 -2.043 23 H ASP 3 H ASP 3 8.089 -0.448 -2.408 24 HA ASP 3 HA ASP 3 7.813 0.159 -5.246 25 HB2 ASP 3 HB2 ASP 3 10.449 0.297 -3.861 26 HB3 ASP 3 HB3 ASP 3 9.759 1.371 -5.075 27 H GLY 4 H GLY 4 8.807 -0.959 -6.886 28 HA2 GLY 4 HA2 GLY 4 10.825 -2.805 -6.786 29 HA3 GLY 4 HA3 GLY 4 9.384 -3.722 -6.370 30 H TYR 5 H TYR 5 10.234 -4.821 -8.414 31 HA TYR 5 HA TYR 5 9.614 -3.459 -10.890 32 HB2 TYR 5 HB2 TYR 5 10.410 -6.339 -10.414 33 HB3 TYR 5 HB3 TYR 5 10.358 -5.522 -11.972 34 HD1 TYR 5 HD1 TYR 5 11.660 -2.999 -11.531 35 HD2 TYR 5 HD2 TYR 5 12.610 -6.810 -9.894 36 HE1 TYR 5 HE1 TYR 5 13.995 -2.284 -11.237 37 HE2 TYR 5 HE2 TYR 5 14.947 -6.105 -9.594 38 HH TYR 5 HH TYR 5 15.990 -3.206 -9.447 39 H ILE 6 H ILE 6 7.741 -3.532 -11.944 40 HA ILE 6 HA ILE 6 5.502 -4.921 -10.812 41 HB ILE 6 HB ILE 6 4.152 -3.777 -12.325 42 HG12 ILE 6 HG12 ILE 6 6.589 -3.513 -14.097 43 HG13 ILE 6 HG13 ILE 6 5.172 -4.514 -14.395 44 HG21 ILE 6 HG21 ILE 6 6.171 -1.682 -12.516 45 HG22 ILE 6 HG22 ILE 6 4.616 -1.687 -11.684 46 HG23 ILE 6 HG23 ILE 6 6.036 -2.384 -10.904 47 HD11 ILE 6 HD11 ILE 6 4.388 -1.784 -14.014 48 HD12 ILE 6 HD12 ILE 6 5.630 -1.903 -15.260 49 HD13 ILE 6 HD13 ILE 6 4.144 -2.841 -15.405 50 H ALA 7 H ALA 7 4.205 -6.500 -11.839 51 HA ALA 7 HA ALA 7 5.599 -8.050 -13.924 52 HB1 ALA 7 HB1 ALA 7 4.515 -10.072 -12.883 53 HB2 ALA 7 HB2 ALA 7 5.786 -9.310 -11.926 54 HB3 ALA 7 HB3 ALA 7 4.092 -9.041 -11.516 55 H ASP 8 H ASP 8 4.194 -9.364 -15.291 56 HA ASP 8 HA ASP 8 1.701 -7.947 -15.866 57 HB2 ASP 8 HB2 ASP 8 1.779 -9.152 -18.029 58 HB3 ASP 8 HB3 ASP 8 3.234 -8.205 -17.734 59 H ASP 9 H ASP 9 0.219 -9.796 -17.166 60 HA ASP 9 HA ASP 9 -1.118 -11.136 -15.122 61 HB2 ASP 9 HB2 ASP 9 -2.289 -10.644 -17.148 62 HB3 ASP 9 HB3 ASP 9 -1.135 -11.563 -18.111 63 H LYS 10 H LYS 10 1.689 -12.028 -16.884 64 HA LYS 10 HA LYS 10 1.472 -14.822 -16.018 65 HB2 LYS 10 HB2 LYS 10 3.452 -13.529 -17.904 66 HB3 LYS 10 HB3 LYS 10 3.354 -15.247 -17.538 67 HG2 LYS 10 HG2 LYS 10 0.787 -14.523 -18.360 68 HG3 LYS 10 HG3 LYS 10 1.890 -13.700 -19.466 69 HD2 LYS 10 HD2 LYS 10 2.280 -16.594 -18.795 70 HD3 LYS 10 HD3 LYS 10 1.109 -16.106 -20.023 71 HE2 LYS 10 HE2 LYS 10 4.022 -15.325 -20.027 72 HE3 LYS 10 HE3 LYS 10 3.350 -16.677 -20.938 73 HZ1 LYS 10 HZ1 LYS 10 1.888 -14.289 -21.422 74 HZ2 LYS 10 HZ2 LYS 10 3.530 -14.061 -21.763 75 HZ3 LYS 10 HZ3 LYS 10 2.673 -15.305 -22.524 76 H ASN 11 H ASN 11 2.115 -12.469 -14.283 77 HA ASN 11 HA ASN 11 3.568 -11.865 -12.633 78 HB2 ASN 11 HB2 ASN 11 2.946 -14.405 -12.218 79 HB3 ASN 11 HB3 ASN 11 4.657 -14.646 -12.559 80 HD21 ASN 11 HD21 ASN 11 6.196 -13.792 -11.159 81 HD22 ASN 11 HD22 ASN 11 5.792 -13.280 -9.559 82 H CYS 12 H CYS 12 4.539 -11.827 -15.448 83 HA CYS 12 HA CYS 12 7.406 -12.295 -15.096 84 HB2 CYS 12 HB2 CYS 12 5.741 -11.630 -17.528 85 HB3 CYS 12 HB3 CYS 12 7.498 -11.734 -17.555 86 H ALA 13 H ALA 13 8.893 -10.698 -14.992 87 HA ALA 13 HA ALA 13 8.126 -8.116 -14.202 88 HB1 ALA 13 HB1 ALA 13 10.738 -7.848 -15.048 89 HB2 ALA 13 HB2 ALA 13 10.209 -8.324 -13.435 90 HB3 ALA 13 HB3 ALA 13 10.612 -9.556 -14.630 91 H TYR 14 H TYR 14 7.950 -6.198 -15.261 92 HA TYR 14 HA TYR 14 7.371 -6.231 -18.029 93 HB2 TYR 14 HB2 TYR 14 7.467 -4.197 -15.881 94 HB3 TYR 14 HB3 TYR 14 7.666 -3.591 -17.522 95 HD1 TYR 14 HD1 TYR 14 5.664 -2.517 -18.026 96 HD2 TYR 14 HD2 TYR 14 5.547 -6.385 -16.258 97 HE1 TYR 14 HE1 TYR 14 3.226 -2.584 -18.349 98 HE2 TYR 14 HE2 TYR 14 3.109 -6.463 -16.576 99 HH TYR 14 HH TYR 14 1.353 -3.721 -17.995 100 H PHE 15 H PHE 15 9.073 -6.863 -19.284 101 HA PHE 15 HA PHE 15 11.718 -5.852 -18.968 102 HB2 PHE 15 HB2 PHE 15 10.613 -7.102 -21.479 103 HB3 PHE 15 HB3 PHE 15 12.274 -7.120 -20.896 104 HD1 PHE 15 HD1 PHE 15 9.949 -9.309 -21.599 105 HD2 PHE 15 HD2 PHE 15 11.966 -7.929 -18.114 106 HE1 PHE 15 HE1 PHE 15 9.535 -11.475 -20.507 107 HE2 PHE 15 HE2 PHE 15 11.557 -10.093 -17.017 108 HZ PHE 15 HZ PHE 15 10.341 -11.869 -18.213 109 H CYS 16 H CYS 16 10.898 -3.550 -18.890 110 HA CYS 16 HA CYS 16 10.077 -2.295 -21.317 111 HB2 CYS 16 HB2 CYS 16 10.425 -0.190 -20.095 112 HB3 CYS 16 HB3 CYS 16 9.503 -1.343 -19.138 113 H GLY 17 H GLY 17 11.427 -0.260 -22.022 114 HA2 GLY 17 HA2 GLY 17 14.295 -0.827 -22.063 115 HA3 GLY 17 HA3 GLY 17 13.455 -0.846 -23.607 116 H ARG 18 H ARG 18 12.157 1.350 -21.361 117 HA ARG 18 HA ARG 18 13.871 3.560 -22.104 118 HB2 ARG 18 HB2 ARG 18 11.254 3.075 -23.374 119 HB3 ARG 18 HB3 ARG 18 11.497 4.708 -22.770 120 HG2 ARG 18 HG2 ARG 18 13.820 4.366 -24.059 121 HG3 ARG 18 HG3 ARG 18 12.786 3.305 -25.018 122 HD2 ARG 18 HD2 ARG 18 11.417 5.039 -25.700 123 HD3 ARG 18 HD3 ARG 18 11.859 6.060 -24.332 124 HE ARG 18 HE ARG 18 14.170 5.782 -25.760 125 HH11 ARG 18 HH11 ARG 18 10.947 6.889 -26.471 126 HH12 ARG 18 HH12 ARG 18 11.460 8.006 -27.692 127 HH21 ARG 18 HH21 ARG 18 14.858 7.249 -27.365 128 HH22 ARG 18 HH22 ARG 18 13.684 8.210 -28.201 129 H ASN 19 H ASN 19 13.806 5.202 -20.642 130 HA ASN 19 HA ASN 19 12.724 4.744 -18.105 131 HB2 ASN 19 HB2 ASN 19 13.505 7.430 -19.256 132 HB3 ASN 19 HB3 ASN 19 13.446 6.985 -17.553 133 HD21 ASN 19 HD21 ASN 19 15.442 7.449 -20.106 134 HD22 ASN 19 HD22 ASN 19 16.792 6.496 -19.600 135 H ALA 20 H ALA 20 11.746 7.271 -20.430 136 HA ALA 20 HA ALA 20 9.504 8.200 -19.150 137 HB1 ALA 20 HB1 ALA 20 9.553 7.841 -22.130 138 HB2 ALA 20 HB2 ALA 20 8.830 9.143 -21.184 139 HB3 ALA 20 HB3 ALA 20 10.584 9.019 -21.316 140 H TYR 21 H TYR 21 9.736 5.420 -21.340 141 HA TYR 21 HA TYR 21 7.059 4.762 -21.552 142 HB2 TYR 21 HB2 TYR 21 8.542 3.550 -22.915 143 HB3 TYR 21 HB3 TYR 21 9.555 3.082 -21.553 144 HD1 TYR 21 HD1 TYR 21 6.479 2.359 -23.405 145 HD2 TYR 21 HD2 TYR 21 8.938 1.217 -20.126 146 HE1 TYR 21 HE1 TYR 21 5.265 0.225 -23.245 147 HE2 TYR 21 HE2 TYR 21 7.732 -0.920 -19.958 148 HH TYR 21 HH TYR 21 5.362 -1.753 -20.624 149 H CYS 22 H CYS 22 9.387 3.520 -19.153 150 HA CYS 22 HA CYS 22 7.604 1.982 -17.670 151 HB2 CYS 22 HB2 CYS 22 10.267 3.176 -17.215 152 HB3 CYS 22 HB3 CYS 22 9.353 2.798 -15.758 153 H ASP 23 H ASP 23 8.589 5.362 -17.177 154 HA ASP 23 HA ASP 23 7.193 5.949 -14.883 155 HB2 ASP 23 HB2 ASP 23 8.746 7.487 -16.115 156 HB3 ASP 23 HB3 ASP 23 7.441 7.808 -17.254 157 H GLU 24 H GLU 24 5.986 5.780 -18.191 158 HA GLU 24 HA GLU 24 3.399 6.801 -17.628 159 HB2 GLU 24 HB2 GLU 24 4.629 5.282 -19.895 160 HB3 GLU 24 HB3 GLU 24 2.880 5.450 -19.823 161 HG2 GLU 24 HG2 GLU 24 2.939 7.710 -20.186 162 HG3 GLU 24 HG3 GLU 24 4.567 7.882 -19.532 163 H GLU 25 H GLU 25 4.463 3.460 -18.299 164 HA GLU 25 HA GLU 25 2.053 2.212 -17.661 165 HB2 GLU 25 HB2 GLU 25 4.731 0.941 -17.148 166 HB3 GLU 25 HB3 GLU 25 3.238 0.174 -17.670 167 HG2 GLU 25 HG2 GLU 25 5.177 1.800 -19.255 168 HG3 GLU 25 HG3 GLU 25 4.532 0.194 -19.586 169 H CYS 26 H CYS 26 4.653 3.335 -15.616 170 HA CYS 26 HA CYS 26 3.977 1.928 -13.270 171 HB2 CYS 26 HB2 CYS 26 5.570 4.375 -13.892 172 HB3 CYS 26 HB3 CYS 26 5.127 4.072 -12.215 173 H LYS 27 H LYS 27 3.507 5.419 -13.804 174 HA LYS 27 HA LYS 27 1.698 5.835 -11.751 175 HB2 LYS 27 HB2 LYS 27 2.693 7.722 -12.814 176 HB3 LYS 27 HB3 LYS 27 2.055 7.259 -14.386 177 HG2 LYS 27 HG2 LYS 27 0.024 7.712 -12.318 178 HG3 LYS 27 HG3 LYS 27 0.964 9.135 -12.771 179 HD2 LYS 27 HD2 LYS 27 -0.079 7.418 -14.958 180 HD3 LYS 27 HD3 LYS 27 -1.239 8.414 -14.075 181 HE2 LYS 27 HE2 LYS 27 -0.653 9.988 -15.572 182 HE3 LYS 27 HE3 LYS 27 0.737 10.209 -14.510 183 HZ1 LYS 27 HZ1 LYS 27 0.800 9.556 -17.172 184 HZ2 LYS 27 HZ2 LYS 27 2.100 9.496 -16.091 185 HZ3 LYS 27 HZ3 LYS 27 1.176 8.108 -16.381 186 H LYS 28 H LYS 28 1.119 4.770 -15.057 187 HA LYS 28 HA LYS 28 -1.680 4.988 -15.068 188 HB2 LYS 28 HB2 LYS 28 0.247 3.245 -16.586 189 HB3 LYS 28 HB3 LYS 28 -1.490 3.119 -16.830 190 HG2 LYS 28 HG2 LYS 28 -0.640 5.866 -16.965 191 HG3 LYS 28 HG3 LYS 28 0.275 4.863 -18.094 192 HD2 LYS 28 HD2 LYS 28 -2.708 4.635 -17.910 193 HD3 LYS 28 HD3 LYS 28 -1.959 5.911 -18.873 194 HE2 LYS 28 HE2 LYS 28 -2.082 4.330 -20.491 195 HE3 LYS 28 HE3 LYS 28 -0.556 3.820 -19.770 196 HZ1 LYS 28 HZ1 LYS 28 -3.144 2.717 -18.862 197 HZ2 LYS 28 HZ2 LYS 28 -2.306 2.047 -20.170 198 HZ3 LYS 28 HZ3 LYS 28 -1.592 2.082 -18.636 199 H LYS 29 H LYS 29 0.448 2.671 -13.621 200 HA LYS 29 HA LYS 29 -1.735 0.796 -13.117 201 HB2 LYS 29 HB2 LYS 29 0.911 0.385 -13.668 202 HB3 LYS 29 HB3 LYS 29 0.893 0.244 -11.915 203 HG2 LYS 29 HG2 LYS 29 0.292 -1.870 -12.212 204 HG3 LYS 29 HG3 LYS 29 -1.285 -1.257 -12.717 205 HD2 LYS 29 HD2 LYS 29 -0.509 -2.756 -14.408 206 HD3 LYS 29 HD3 LYS 29 -0.390 -1.115 -15.050 207 HE2 LYS 29 HE2 LYS 29 1.636 -2.066 -15.665 208 HE3 LYS 29 HE3 LYS 29 2.040 -1.198 -14.185 209 HZ1 LYS 29 HZ1 LYS 29 1.182 -3.919 -13.764 210 HZ2 LYS 29 HZ2 LYS 29 2.614 -3.784 -14.656 211 HZ3 LYS 29 HZ3 LYS 29 2.507 -3.089 -13.117 212 H GLY 30 H GLY 30 -1.461 3.520 -11.862 213 HA2 GLY 30 HA2 GLY 30 -2.318 4.240 -9.805 214 HA3 GLY 30 HA3 GLY 30 -2.026 2.636 -9.148 215 H ALA 31 H ALA 31 0.771 2.695 -10.207 216 HA ALA 31 HA ALA 31 2.151 3.383 -7.947 217 HB1 ALA 31 HB1 ALA 31 4.107 3.105 -9.154 218 HB2 ALA 31 HB2 ALA 31 2.938 2.192 -10.108 219 HB3 ALA 31 HB3 ALA 31 3.424 3.808 -10.620 220 H GLU 32 H GLU 32 3.739 5.149 -7.607 221 HA GLU 32 HA GLU 32 2.463 7.711 -8.151 222 HB2 GLU 32 HB2 GLU 32 3.331 6.909 -5.849 223 HB3 GLU 32 HB3 GLU 32 4.924 7.319 -6.471 224 HG2 GLU 32 HG2 GLU 32 3.959 9.119 -5.127 225 HG3 GLU 32 HG3 GLU 32 4.251 9.615 -6.793 226 H SER 33 H SER 33 5.394 5.949 -8.888 227 HA SER 33 HA SER 33 5.975 7.317 -11.223 228 HB2 SER 33 HB2 SER 33 6.851 8.727 -8.826 229 HB3 SER 33 HB3 SER 33 8.191 8.370 -9.916 230 HG SER 33 HG SER 33 7.496 10.046 -10.972 231 H GLY 34 H GLY 34 7.943 6.626 -12.219 232 HA2 GLY 34 HA2 GLY 34 9.809 4.950 -10.858 233 HA3 GLY 34 HA3 GLY 34 8.653 3.999 -11.778 234 H TYR 35 H TYR 35 10.525 3.269 -12.988 235 HA TYR 35 HA TYR 35 10.797 4.599 -15.451 236 HB2 TYR 35 HB2 TYR 35 13.318 5.038 -15.209 237 HB3 TYR 35 HB3 TYR 35 12.216 6.200 -14.479 238 HD1 TYR 35 HD1 TYR 35 13.207 7.074 -12.584 239 HD2 TYR 35 HD2 TYR 35 13.506 2.892 -13.310 240 HE1 TYR 35 HE1 TYR 35 14.332 6.784 -10.416 241 HE2 TYR 35 HE2 TYR 35 14.631 2.591 -11.143 242 HH TYR 35 HH TYR 35 14.706 3.850 -8.917 243 H CYS 36 H CYS 36 13.009 3.662 -16.544 244 HA CYS 36 HA CYS 36 12.714 0.767 -16.272 245 HB2 CYS 36 HB2 CYS 36 12.653 2.205 -18.499 246 HB3 CYS 36 HB3 CYS 36 14.400 2.012 -18.398 247 H GLN 37 H GLN 37 14.064 -0.194 -14.907 248 HA GLN 37 HA GLN 37 16.898 0.591 -14.968 249 HB2 GLN 37 HB2 GLN 37 15.791 1.457 -12.921 250 HB3 GLN 37 HB3 GLN 37 15.351 -0.191 -12.491 251 HG2 GLN 37 HG2 GLN 37 17.363 -0.622 -11.650 252 HG3 GLN 37 HG3 GLN 37 18.190 0.106 -13.026 253 HE21 GLN 37 HE21 GLN 37 16.052 1.310 -10.458 254 HE22 GLN 37 HE22 GLN 37 17.095 2.594 -9.958 255 H TRP 38 H TRP 38 18.290 -1.040 -15.238 256 HA TRP 38 HA TRP 38 17.273 -3.695 -15.647 257 HB2 TRP 38 HB2 TRP 38 19.650 -4.238 -16.186 258 HB3 TRP 38 HB3 TRP 38 19.006 -2.891 -17.120 259 HD1 TRP 38 HD1 TRP 38 20.871 -3.135 -13.709 260 HE1 TRP 38 HE1 TRP 38 22.708 -1.333 -13.692 261 HE3 TRP 38 HE3 TRP 38 20.074 -1.121 -18.340 262 HZ2 TRP 38 HZ2 TRP 38 23.689 0.677 -15.414 263 HZ3 TRP 38 HZ3 TRP 38 21.505 0.738 -19.079 264 HH2 TRP 38 HH2 TRP 38 23.274 1.618 -17.645 265 H ALA 39 H ALA 39 18.872 -5.515 -14.749 266 HA ALA 39 HA ALA 39 20.060 -5.304 -12.254 267 HB1 ALA 39 HB1 ALA 39 18.432 -5.188 -10.752 268 HB2 ALA 39 HB2 ALA 39 17.251 -5.072 -12.056 269 HB3 ALA 39 HB3 ALA 39 17.694 -6.650 -11.406 270 H GLY 40 H GLY 40 20.290 -7.469 -11.149 271 HA2 GLY 40 HA2 GLY 40 21.019 -9.421 -13.066 272 HA3 GLY 40 HA3 GLY 40 20.999 -9.647 -11.323 273 H GLN 41 H GLN 41 18.516 -9.577 -10.526 274 HA GLN 41 HA GLN 41 17.404 -12.003 -11.348 275 HB2 GLN 41 HB2 GLN 41 16.702 -9.850 -9.517 276 HB3 GLN 41 HB3 GLN 41 15.284 -10.579 -10.258 277 HG2 GLN 41 HG2 GLN 41 16.010 -11.573 -8.074 278 HG3 GLN 41 HG3 GLN 41 15.809 -12.711 -9.405 279 HE21 GLN 41 HE21 GLN 41 18.089 -11.073 -7.348 280 HE22 GLN 41 HE22 GLN 41 19.444 -12.083 -7.706 281 H TYR 42 H TYR 42 15.980 -12.578 -12.882 282 HA TYR 42 HA TYR 42 14.919 -12.420 -14.908 283 HB2 TYR 42 HB2 TYR 42 13.220 -10.192 -14.349 284 HB3 TYR 42 HB3 TYR 42 12.823 -11.907 -14.334 285 HD1 TYR 42 HD1 TYR 42 13.106 -8.970 -12.376 286 HD2 TYR 42 HD2 TYR 42 13.439 -13.206 -12.165 287 HE1 TYR 42 HE1 TYR 42 12.786 -8.867 -9.940 288 HE2 TYR 42 HE2 TYR 42 13.118 -13.116 -9.728 289 HH TYR 42 HH TYR 42 13.598 -11.069 -7.885 290 H GLY 43 H GLY 43 17.350 -10.860 -14.738 291 HA2 GLY 43 HA2 GLY 43 18.476 -9.184 -15.843 292 HA3 GLY 43 HA3 GLY 43 17.344 -9.532 -17.142 293 H ASN 44 H ASN 44 16.294 -7.813 -17.857 294 HA ASN 44 HA ASN 44 16.190 -5.397 -16.277 295 HB2 ASN 44 HB2 ASN 44 15.638 -6.139 -19.102 296 HB3 ASN 44 HB3 ASN 44 14.782 -4.739 -18.463 297 HD21 ASN 44 HD21 ASN 44 18.038 -5.932 -17.778 298 HD22 ASN 44 HD22 ASN 44 18.860 -4.507 -18.305 299 H ALA 45 H ALA 45 14.287 -4.276 -15.700 300 HA ALA 45 HA ALA 45 11.690 -5.401 -16.072 301 HB1 ALA 45 HB1 ALA 45 11.199 -6.006 -13.783 302 HB2 ALA 45 HB2 ALA 45 12.575 -6.943 -14.363 303 HB3 ALA 45 HB3 ALA 45 12.834 -5.570 -13.287 304 H CYS 46 H CYS 46 10.127 -3.902 -15.735 305 HA CYS 46 HA CYS 46 10.864 -1.203 -15.388 306 HB2 CYS 46 HB2 CYS 46 8.796 -2.230 -16.579 307 HB3 CYS 46 HB3 CYS 46 8.056 -2.192 -14.982 308 H TRP 47 H TRP 47 11.195 -0.050 -13.610 309 HA TRP 47 HA TRP 47 10.393 -1.196 -11.031 310 HB2 TRP 47 HB2 TRP 47 12.732 -0.771 -11.087 311 HB3 TRP 47 HB3 TRP 47 12.499 0.823 -11.798 312 HD1 TRP 47 HD1 TRP 47 11.646 2.788 -10.143 313 HE1 TRP 47 HE1 TRP 47 11.854 3.052 -7.592 314 HE3 TRP 47 HE3 TRP 47 12.759 -2.048 -8.914 315 HZ2 TRP 47 HZ2 TRP 47 12.416 1.426 -5.354 316 HZ3 TRP 47 HZ3 TRP 47 13.118 -2.610 -6.546 317 HH2 TRP 47 HH2 TRP 47 12.950 -0.908 -4.804 318 H CYS 48 H CYS 48 8.960 -0.216 -9.727 319 HA CYS 48 HA CYS 48 8.084 2.507 -10.423 320 HB2 CYS 48 HB2 CYS 48 6.342 0.133 -9.737 321 HB3 CYS 48 HB3 CYS 48 5.759 1.794 -9.790 322 H TYR 49 H TYR 49 6.968 3.625 -8.640 323 HA TYR 49 HA TYR 49 8.104 2.821 -6.046 324 HB2 TYR 49 HB2 TYR 49 7.632 5.485 -7.320 325 HB3 TYR 49 HB3 TYR 49 7.596 5.362 -5.565 326 HD1 TYR 49 HD1 TYR 49 9.647 4.337 -4.412 327 HD2 TYR 49 HD2 TYR 49 9.669 5.676 -8.451 328 HE1 TYR 49 HE1 TYR 49 12.102 4.470 -4.348 329 HE2 TYR 49 HE2 TYR 49 12.124 5.811 -8.399 330 HH TYR 49 HH TYR 49 13.900 6.120 -6.120 331 H LYS 50 H LYS 50 6.835 2.811 -4.220 332 HA LYS 50 HA LYS 50 4.904 2.292 -3.099 333 HB2 LYS 50 HB2 LYS 50 3.984 4.847 -4.428 334 HB3 LYS 50 HB3 LYS 50 3.345 4.152 -2.944 335 HG2 LYS 50 HG2 LYS 50 6.215 4.588 -2.826 336 HG3 LYS 50 HG3 LYS 50 5.307 6.070 -3.132 337 HD2 LYS 50 HD2 LYS 50 5.348 5.985 -0.818 338 HD3 LYS 50 HD3 LYS 50 3.793 5.238 -1.192 339 HE2 LYS 50 HE2 LYS 50 4.575 3.674 0.255 340 HE3 LYS 50 HE3 LYS 50 5.312 3.049 -1.220 341 HZ1 LYS 50 HZ1 LYS 50 6.831 3.237 0.737 342 HZ2 LYS 50 HZ2 LYS 50 7.373 4.030 -0.656 343 HZ3 LYS 50 HZ3 LYS 50 6.698 4.919 0.616 344 H LEU 51 H LEU 51 4.833 0.586 -5.015 345 HA LEU 51 HA LEU 51 2.692 0.883 -6.883 346 HB2 LEU 51 HB2 LEU 51 4.525 -1.309 -6.056 347 HB3 LEU 51 HB3 LEU 51 3.054 -1.734 -6.930 348 HG LEU 51 HG LEU 51 5.243 0.094 -7.920 349 HD11 LEU 51 HD11 LEU 51 6.179 -1.661 -8.928 350 HD12 LEU 51 HD12 LEU 51 5.236 -2.649 -7.813 351 HD13 LEU 51 HD13 LEU 51 4.621 -2.316 -9.431 352 HD21 LEU 51 HD21 LEU 51 3.069 0.791 -8.749 353 HD22 LEU 51 HD22 LEU 51 4.008 0.043 -10.041 354 HD23 LEU 51 HD23 LEU 51 2.712 -0.860 -9.256 355 HA PRO 52 HA PRO 52 -0.708 -0.210 -4.302 356 HB2 PRO 52 HB2 PRO 52 -2.449 -0.998 -6.230 357 HB3 PRO 52 HB3 PRO 52 -2.041 0.697 -5.939 358 HG2 PRO 52 HG2 PRO 52 -0.983 -1.175 -8.022 359 HG3 PRO 52 HG3 PRO 52 -1.469 0.522 -8.186 360 HD2 PRO 52 HD2 PRO 52 1.121 -0.238 -7.970 361 HD3 PRO 52 HD3 PRO 52 0.523 1.305 -7.329 362 H ASP 53 H ASP 53 -1.281 -1.984 -3.194 363 HA ASP 53 HA ASP 53 -0.083 -4.429 -3.428 364 HB2 ASP 53 HB2 ASP 53 -1.729 -3.414 -1.616 365 HB3 ASP 53 HB3 ASP 53 -2.915 -4.387 -2.482 366 H LYS 54 H LYS 54 -2.817 -3.222 -5.206 367 HA LYS 54 HA LYS 54 -3.867 -5.647 -6.155 368 HB2 LYS 54 HB2 LYS 54 -3.877 -2.850 -7.273 369 HB3 LYS 54 HB3 LYS 54 -4.678 -4.183 -8.094 370 HG2 LYS 54 HG2 LYS 54 -6.035 -4.562 -6.059 371 HG3 LYS 54 HG3 LYS 54 -5.288 -3.134 -5.338 372 HD2 LYS 54 HD2 LYS 54 -6.770 -3.081 -7.961 373 HD3 LYS 54 HD3 LYS 54 -7.543 -2.766 -6.405 374 HE2 LYS 54 HE2 LYS 54 -5.729 -0.999 -6.065 375 HE3 LYS 54 HE3 LYS 54 -5.394 -1.184 -7.786 376 HZ1 LYS 54 HZ1 LYS 54 -7.032 0.234 -8.169 377 HZ2 LYS 54 HZ2 LYS 54 -8.136 -0.886 -7.544 378 HZ3 LYS 54 HZ3 LYS 54 -7.455 0.286 -6.531 379 H VAL 55 H VAL 55 -1.345 -3.525 -7.456 380 HA VAL 55 HA VAL 55 -0.862 -5.303 -9.695 381 HB VAL 55 HB VAL 55 0.697 -2.858 -8.846 382 HG11 VAL 55 HG11 VAL 55 0.623 -3.740 -11.659 383 HG12 VAL 55 HG12 VAL 55 1.952 -3.073 -10.710 384 HG13 VAL 55 HG13 VAL 55 1.520 -4.775 -10.548 385 HG21 VAL 55 HG21 VAL 55 -0.599 -1.587 -10.378 386 HG22 VAL 55 HG22 VAL 55 -1.401 -3.030 -11.000 387 HG23 VAL 55 HG23 VAL 55 -1.738 -2.470 -9.361 388 HA PRO 56 HA PRO 56 1.973 -7.675 -7.145 389 HB2 PRO 56 HB2 PRO 56 2.392 -9.609 -9.003 390 HB3 PRO 56 HB3 PRO 56 0.949 -9.553 -7.984 391 HG2 PRO 56 HG2 PRO 56 1.306 -8.643 -10.813 392 HG3 PRO 56 HG3 PRO 56 -0.040 -9.541 -10.088 393 HD2 PRO 56 HD2 PRO 56 -0.151 -6.877 -10.558 394 HD3 PRO 56 HD3 PRO 56 -0.990 -7.642 -9.193 395 H ILE 57 H ILE 57 4.209 -8.304 -7.312 396 HA ILE 57 HA ILE 57 5.672 -6.870 -9.432 397 HB ILE 57 HB ILE 57 7.499 -6.522 -7.796 398 HG12 ILE 57 HG12 ILE 57 5.804 -6.913 -5.446 399 HG13 ILE 57 HG13 ILE 57 6.155 -8.416 -6.293 400 HG21 ILE 57 HG21 ILE 57 5.319 -5.228 -6.364 401 HG22 ILE 57 HG22 ILE 57 6.636 -4.523 -7.301 402 HG23 ILE 57 HG23 ILE 57 5.177 -5.086 -8.116 403 HD11 ILE 57 HD11 ILE 57 8.007 -6.544 -4.905 404 HD12 ILE 57 HD12 ILE 57 7.888 -8.301 -4.799 405 HD13 ILE 57 HD13 ILE 57 8.608 -7.550 -6.223 406 H LYS 58 H LYS 58 7.572 -7.814 -10.219 407 HA LYS 58 HA LYS 58 7.562 -10.641 -10.353 408 HB2 LYS 58 HB2 LYS 58 8.392 -9.347 -12.212 409 HB3 LYS 58 HB3 LYS 58 9.629 -8.608 -11.204 410 HG2 LYS 58 HG2 LYS 58 10.679 -10.261 -12.547 411 HG3 LYS 58 HG3 LYS 58 10.623 -10.876 -10.893 412 HD2 LYS 58 HD2 LYS 58 8.753 -12.289 -11.423 413 HD3 LYS 58 HD3 LYS 58 8.610 -11.572 -13.029 414 HE2 LYS 58 HE2 LYS 58 11.142 -12.389 -13.172 415 HE3 LYS 58 HE3 LYS 58 10.554 -13.558 -11.991 416 HZ1 LYS 58 HZ1 LYS 58 8.929 -14.331 -13.508 417 HZ2 LYS 58 HZ2 LYS 58 9.219 -13.066 -14.593 418 HZ3 LYS 58 HZ3 LYS 58 10.388 -14.268 -14.363 419 H VAL 59 H VAL 59 8.376 -12.078 -8.987 420 HA VAL 59 HA VAL 59 10.770 -11.432 -7.445 421 HB VAL 59 HB VAL 59 9.704 -12.418 -5.378 422 HG11 VAL 59 HG11 VAL 59 9.347 -10.333 -4.628 423 HG12 VAL 59 HG12 VAL 59 9.857 -9.844 -6.244 424 HG13 VAL 59 HG13 VAL 59 8.140 -9.987 -5.867 425 HG21 VAL 59 HG21 VAL 59 7.568 -12.851 -7.162 426 HG22 VAL 59 HG22 VAL 59 7.624 -13.197 -5.433 427 HG23 VAL 59 HG23 VAL 59 7.022 -11.640 -6.002 428 H SER 60 H SER 60 12.097 -12.996 -8.108 429 HA SER 60 HA SER 60 12.901 -15.044 -8.716 430 HB2 SER 60 HB2 SER 60 12.710 -15.374 -6.296 431 HB3 SER 60 HB3 SER 60 11.039 -15.905 -6.488 432 HG SER 60 HG SER 60 13.282 -17.342 -6.696 433 H GLY 61 H GLY 61 10.426 -14.083 -10.051 434 HA2 GLY 61 HA2 GLY 61 8.842 -16.442 -10.556 435 HA3 GLY 61 HA3 GLY 61 8.678 -14.883 -11.349 436 H LYS 62 H LYS 62 8.515 -17.338 -12.698 437 HA LYS 62 HA LYS 62 11.041 -17.443 -14.201 438 HB2 LYS 62 HB2 LYS 62 10.135 -19.562 -13.176 439 HB3 LYS 62 HB3 LYS 62 8.774 -19.437 -14.282 440 HG2 LYS 62 HG2 LYS 62 10.335 -19.547 -16.181 441 HG3 LYS 62 HG3 LYS 62 11.671 -19.746 -15.044 442 HD2 LYS 62 HD2 LYS 62 10.795 -21.833 -14.274 443 HD3 LYS 62 HD3 LYS 62 9.297 -21.599 -15.177 444 HE2 LYS 62 HE2 LYS 62 11.868 -21.585 -16.673 445 HE3 LYS 62 HE3 LYS 62 11.249 -23.130 -16.092 446 HZ1 LYS 62 HZ1 LYS 62 9.138 -21.725 -17.278 447 HZ2 LYS 62 HZ2 LYS 62 10.448 -21.685 -18.349 448 HZ3 LYS 62 HZ3 LYS 62 9.855 -23.169 -17.792 449 H CYS 63 H CYS 63 11.069 -17.208 -16.422 450 HA CYS 63 HA CYS 63 8.680 -16.918 -17.967 451 HB2 CYS 63 HB2 CYS 63 9.176 -14.676 -16.610 452 HB3 CYS 63 HB3 CYS 63 10.276 -14.403 -17.958 453 H ASN 64 H ASN 64 9.081 -16.830 -20.197 454 HA ASN 64 HA ASN 64 11.770 -16.578 -21.197 455 HB2 ASN 64 HB2 ASN 64 10.483 -19.239 -20.834 456 HB3 ASN 64 HB3 ASN 64 11.388 -18.971 -22.321 457 HD21 ASN 64 HD21 ASN 64 13.609 -18.114 -22.038 458 HD22 ASN 64 HD22 ASN 64 14.533 -18.704 -20.703 Start of MODEL 7 1 H1 VAL 1 H VAL 1 1.635 -0.130 0.736 2 HA VAL 1 HA VAL 1 1.449 -0.660 -2.071 3 HB VAL 1 HB VAL 1 2.832 1.435 -2.652 4 HG11 VAL 1 HG11 VAL 1 -0.079 1.840 -1.984 5 HG12 VAL 1 HG12 VAL 1 0.858 2.662 -3.231 6 HG13 VAL 1 HG13 VAL 1 0.501 0.942 -3.387 7 HG21 VAL 1 HG21 VAL 1 3.123 2.093 -0.253 8 HG22 VAL 1 HG22 VAL 1 2.517 3.377 -1.299 9 HG23 VAL 1 HG23 VAL 1 1.412 2.519 -0.225 10 H ARG 2 H ARG 2 3.726 -0.493 -3.090 11 HA ARG 2 HA ARG 2 5.968 -0.663 -1.321 12 HB2 ARG 2 HB2 ARG 2 6.494 -3.063 -1.969 13 HB3 ARG 2 HB3 ARG 2 5.203 -2.838 -0.796 14 HG2 ARG 2 HG2 ARG 2 3.600 -3.593 -2.205 15 HG3 ARG 2 HG3 ARG 2 4.415 -2.974 -3.643 16 HD2 ARG 2 HD2 ARG 2 5.998 -4.785 -3.586 17 HD3 ARG 2 HD3 ARG 2 5.352 -5.354 -2.047 18 HE ARG 2 HE ARG 2 4.333 -5.928 -4.639 19 HH11 ARG 2 HH11 ARG 2 3.380 -5.378 -1.336 20 HH12 ARG 2 HH12 ARG 2 1.929 -6.317 -1.462 21 HH21 ARG 2 HH21 ARG 2 2.426 -7.167 -4.817 22 HH22 ARG 2 HH22 ARG 2 1.388 -7.334 -3.441 23 H ASP 3 H ASP 3 7.943 -0.684 -2.414 24 HA ASP 3 HA ASP 3 7.734 -0.005 -5.248 25 HB2 ASP 3 HB2 ASP 3 10.324 0.148 -3.779 26 HB3 ASP 3 HB3 ASP 3 9.663 1.224 -5.007 27 H GLY 4 H GLY 4 8.749 -1.110 -6.873 28 HA2 GLY 4 HA2 GLY 4 10.804 -2.890 -6.808 29 HA3 GLY 4 HA3 GLY 4 9.419 -3.858 -6.323 30 H TYR 5 H TYR 5 10.315 -4.924 -8.398 31 HA TYR 5 HA TYR 5 9.649 -3.679 -10.887 32 HB2 TYR 5 HB2 TYR 5 10.376 -6.524 -10.176 33 HB3 TYR 5 HB3 TYR 5 10.101 -5.972 -11.824 34 HD1 TYR 5 HD1 TYR 5 12.655 -7.217 -10.783 35 HD2 TYR 5 HD2 TYR 5 11.413 -3.160 -11.100 36 HE1 TYR 5 HE1 TYR 5 15.008 -6.515 -10.935 37 HE2 TYR 5 HE2 TYR 5 13.762 -2.447 -11.255 38 HH TYR 5 HH TYR 5 16.307 -4.304 -10.392 39 H ILE 6 H ILE 6 7.785 -3.704 -11.971 40 HA ILE 6 HA ILE 6 5.464 -4.906 -10.753 41 HB ILE 6 HB ILE 6 4.165 -3.647 -12.197 42 HG12 ILE 6 HG12 ILE 6 6.515 -3.642 -14.100 43 HG13 ILE 6 HG13 ILE 6 4.990 -4.497 -14.303 44 HG21 ILE 6 HG21 ILE 6 6.204 -2.392 -10.891 45 HG22 ILE 6 HG22 ILE 6 6.370 -1.752 -12.526 46 HG23 ILE 6 HG23 ILE 6 4.842 -1.580 -11.662 47 HD11 ILE 6 HD11 ILE 6 4.104 -2.746 -15.314 48 HD12 ILE 6 HD12 ILE 6 4.481 -1.710 -13.937 49 HD13 ILE 6 HD13 ILE 6 5.670 -1.940 -15.219 50 H ALA 7 H ALA 7 4.109 -6.460 -11.677 51 HA ALA 7 HA ALA 7 5.346 -8.067 -13.818 52 HB1 ALA 7 HB1 ALA 7 3.777 -8.987 -11.416 53 HB2 ALA 7 HB2 ALA 7 4.218 -10.030 -12.768 54 HB3 ALA 7 HB3 ALA 7 5.476 -9.297 -11.773 55 H ASP 8 H ASP 8 3.853 -9.274 -15.176 56 HA ASP 8 HA ASP 8 1.426 -7.724 -15.688 57 HB2 ASP 8 HB2 ASP 8 1.408 -8.906 -17.870 58 HB3 ASP 8 HB3 ASP 8 2.902 -8.016 -17.590 59 H ASP 9 H ASP 9 -0.153 -9.491 -17.005 60 HA ASP 9 HA ASP 9 -1.531 -10.792 -14.961 61 HB2 ASP 9 HB2 ASP 9 -2.628 -10.177 -17.037 62 HB3 ASP 9 HB3 ASP 9 -1.604 -11.286 -17.944 63 H LYS 10 H LYS 10 1.209 -11.792 -16.774 64 HA LYS 10 HA LYS 10 0.875 -14.582 -15.931 65 HB2 LYS 10 HB2 LYS 10 2.846 -13.341 -17.860 66 HB3 LYS 10 HB3 LYS 10 2.749 -15.055 -17.475 67 HG2 LYS 10 HG2 LYS 10 0.167 -14.152 -18.268 68 HG3 LYS 10 HG3 LYS 10 1.353 -13.624 -19.464 69 HD2 LYS 10 HD2 LYS 10 2.042 -15.817 -19.914 70 HD3 LYS 10 HD3 LYS 10 1.319 -16.443 -18.431 71 HE2 LYS 10 HE2 LYS 10 -0.445 -17.025 -19.658 72 HE3 LYS 10 HE3 LYS 10 -0.805 -15.306 -19.813 73 HZ1 LYS 10 HZ1 LYS 10 0.568 -17.085 -21.719 74 HZ2 LYS 10 HZ2 LYS 10 -0.724 -16.027 -21.990 75 HZ3 LYS 10 HZ3 LYS 10 0.837 -15.415 -21.769 76 H ASN 11 H ASN 11 1.661 -12.272 -14.192 77 HA ASN 11 HA ASN 11 3.171 -11.751 -12.564 78 HB2 ASN 11 HB2 ASN 11 2.395 -14.091 -11.940 79 HB3 ASN 11 HB3 ASN 11 3.896 -14.681 -12.646 80 HD21 ASN 11 HD21 ASN 11 5.559 -14.873 -11.336 81 HD22 ASN 11 HD22 ASN 11 5.751 -14.079 -9.814 82 H CYS 12 H CYS 12 4.099 -11.690 -15.370 83 HA CYS 12 HA CYS 12 6.944 -12.321 -15.071 84 HB2 CYS 12 HB2 CYS 12 5.315 -11.533 -17.493 85 HB3 CYS 12 HB3 CYS 12 7.052 -11.817 -17.518 86 H ALA 13 H ALA 13 8.507 -10.794 -14.996 87 HA ALA 13 HA ALA 13 7.874 -8.181 -14.190 88 HB1 ALA 13 HB1 ALA 13 10.443 -7.917 -14.955 89 HB2 ALA 13 HB2 ALA 13 9.944 -8.659 -13.435 90 HB3 ALA 13 HB3 ALA 13 10.334 -9.672 -14.824 91 H TYR 14 H TYR 14 7.761 -6.257 -15.244 92 HA TYR 14 HA TYR 14 7.140 -6.263 -18.005 93 HB2 TYR 14 HB2 TYR 14 7.344 -4.235 -15.857 94 HB3 TYR 14 HB3 TYR 14 7.527 -3.638 -17.503 95 HD1 TYR 14 HD1 TYR 14 5.553 -2.507 -17.982 96 HD2 TYR 14 HD2 TYR 14 5.343 -6.352 -16.172 97 HE1 TYR 14 HE1 TYR 14 3.108 -2.494 -18.252 98 HE2 TYR 14 HE2 TYR 14 2.898 -6.350 -16.438 99 HH TYR 14 HH TYR 14 1.237 -5.060 -18.179 100 H PHE 15 H PHE 15 8.802 -6.951 -19.283 101 HA PHE 15 HA PHE 15 11.486 -6.041 -18.996 102 HB2 PHE 15 HB2 PHE 15 10.319 -7.223 -21.510 103 HB3 PHE 15 HB3 PHE 15 11.975 -7.328 -20.921 104 HD1 PHE 15 HD1 PHE 15 11.658 -8.166 -18.167 105 HD2 PHE 15 HD2 PHE 15 9.507 -9.374 -21.635 106 HE1 PHE 15 HE1 PHE 15 11.138 -10.317 -17.091 107 HE2 PHE 15 HE2 PHE 15 8.982 -11.526 -20.565 108 HZ PHE 15 HZ PHE 15 9.797 -12.000 -18.290 109 H CYS 16 H CYS 16 10.869 -3.714 -18.901 110 HA CYS 16 HA CYS 16 10.049 -2.419 -21.329 111 HB2 CYS 16 HB2 CYS 16 10.421 -0.334 -20.093 112 HB3 CYS 16 HB3 CYS 16 9.480 -1.474 -19.136 113 H GLY 17 H GLY 17 11.524 -0.335 -21.848 114 HA2 GLY 17 HA2 GLY 17 14.352 -1.020 -21.901 115 HA3 GLY 17 HA3 GLY 17 13.544 -0.995 -23.462 116 H ARG 18 H ARG 18 12.367 1.203 -21.108 117 HA ARG 18 HA ARG 18 14.122 3.370 -21.845 118 HB2 ARG 18 HB2 ARG 18 12.542 3.231 -23.765 119 HB3 ARG 18 HB3 ARG 18 11.211 3.501 -22.648 120 HG2 ARG 18 HG2 ARG 18 11.739 5.562 -23.742 121 HG3 ARG 18 HG3 ARG 18 12.218 5.682 -22.047 122 HD2 ARG 18 HD2 ARG 18 13.918 6.631 -23.523 123 HD3 ARG 18 HD3 ARG 18 14.532 5.223 -22.657 124 HE ARG 18 HE ARG 18 13.556 4.326 -25.098 125 HH11 ARG 18 HH11 ARG 18 16.069 6.427 -23.918 126 HH12 ARG 18 HH12 ARG 18 17.126 6.131 -25.259 127 HH21 ARG 18 HH21 ARG 18 14.938 3.928 -26.868 128 HH22 ARG 18 HH22 ARG 18 16.481 4.710 -26.936 129 H ASN 19 H ASN 19 14.244 4.817 -20.238 130 HA ASN 19 HA ASN 19 13.047 4.387 -17.765 131 HB2 ASN 19 HB2 ASN 19 14.193 6.965 -18.863 132 HB3 ASN 19 HB3 ASN 19 13.879 6.633 -17.162 133 HD21 ASN 19 HD21 ASN 19 16.379 7.296 -18.457 134 HD22 ASN 19 HD22 ASN 19 17.458 5.985 -18.138 135 H ALA 20 H ALA 20 12.151 6.648 -20.344 136 HA ALA 20 HA ALA 20 10.034 7.902 -18.968 137 HB1 ALA 20 HB1 ALA 20 9.806 7.642 -21.901 138 HB2 ALA 20 HB2 ALA 20 9.705 9.072 -20.874 139 HB3 ALA 20 HB3 ALA 20 11.279 8.395 -21.291 140 H TYR 21 H TYR 21 10.073 5.168 -21.238 141 HA TYR 21 HA TYR 21 7.364 4.700 -21.461 142 HB2 TYR 21 HB2 TYR 21 8.770 3.418 -22.845 143 HB3 TYR 21 HB3 TYR 21 9.730 2.841 -21.487 144 HD1 TYR 21 HD1 TYR 21 6.649 2.384 -23.405 145 HD2 TYR 21 HD2 TYR 21 8.937 1.008 -20.091 146 HE1 TYR 21 HE1 TYR 21 5.275 0.346 -23.311 147 HE2 TYR 21 HE2 TYR 21 7.570 -1.034 -19.989 148 HH TYR 21 HH TYR 21 4.648 -1.368 -21.497 149 H CYS 22 H CYS 22 9.593 3.368 -19.027 150 HA CYS 22 HA CYS 22 7.724 1.864 -17.599 151 HB2 CYS 22 HB2 CYS 22 10.413 2.982 -17.057 152 HB3 CYS 22 HB3 CYS 22 9.452 2.560 -15.643 153 H ASP 23 H ASP 23 8.853 5.189 -17.020 154 HA ASP 23 HA ASP 23 7.414 5.803 -14.763 155 HB2 ASP 23 HB2 ASP 23 9.080 7.276 -15.959 156 HB3 ASP 23 HB3 ASP 23 7.789 7.708 -17.077 157 H GLU 24 H GLU 24 6.302 5.755 -18.108 158 HA GLU 24 HA GLU 24 3.758 6.898 -17.619 159 HB2 GLU 24 HB2 GLU 24 5.025 5.387 -19.850 160 HB3 GLU 24 HB3 GLU 24 3.270 5.492 -19.829 161 HG2 GLU 24 HG2 GLU 24 3.464 7.956 -19.708 162 HG3 GLU 24 HG3 GLU 24 5.211 7.790 -19.871 163 H GLU 25 H GLU 25 4.636 3.503 -18.294 164 HA GLU 25 HA GLU 25 2.147 2.398 -17.707 165 HB2 GLU 25 HB2 GLU 25 4.739 0.970 -17.162 166 HB3 GLU 25 HB3 GLU 25 3.211 0.290 -17.703 167 HG2 GLU 25 HG2 GLU 25 5.263 1.796 -19.260 168 HG3 GLU 25 HG3 GLU 25 4.510 0.241 -19.610 169 H CYS 26 H CYS 26 4.754 3.375 -15.606 170 HA CYS 26 HA CYS 26 4.003 1.981 -13.284 171 HB2 CYS 26 HB2 CYS 26 5.665 4.380 -13.878 172 HB3 CYS 26 HB3 CYS 26 5.156 4.134 -12.211 173 H LYS 27 H LYS 27 3.514 5.455 -13.937 174 HA LYS 27 HA LYS 27 1.756 5.976 -11.871 175 HB2 LYS 27 HB2 LYS 27 2.687 7.797 -13.102 176 HB3 LYS 27 HB3 LYS 27 1.987 7.221 -14.609 177 HG2 LYS 27 HG2 LYS 27 -0.233 7.756 -13.832 178 HG3 LYS 27 HG3 LYS 27 0.403 8.224 -12.253 179 HD2 LYS 27 HD2 LYS 27 1.394 9.554 -14.746 180 HD3 LYS 27 HD3 LYS 27 -0.124 10.063 -14.004 181 HE2 LYS 27 HE2 LYS 27 1.213 10.253 -11.833 182 HE3 LYS 27 HE3 LYS 27 2.648 10.145 -12.850 183 HZ1 LYS 27 HZ1 LYS 27 2.448 12.281 -13.333 184 HZ2 LYS 27 HZ2 LYS 27 0.885 12.048 -13.936 185 HZ3 LYS 27 HZ3 LYS 27 1.115 12.400 -12.297 186 H LYS 28 H LYS 28 1.025 4.886 -15.165 187 HA LYS 28 HA LYS 28 -1.770 4.958 -14.966 188 HB2 LYS 28 HB2 LYS 28 0.029 3.190 -16.631 189 HB3 LYS 28 HB3 LYS 28 -1.715 3.289 -16.835 190 HG2 LYS 28 HG2 LYS 28 -0.869 5.928 -16.914 191 HG3 LYS 28 HG3 LYS 28 0.364 5.040 -17.813 192 HD2 LYS 28 HD2 LYS 28 -2.120 3.994 -18.621 193 HD3 LYS 28 HD3 LYS 28 -2.301 5.749 -18.604 194 HE2 LYS 28 HE2 LYS 28 0.109 4.501 -19.858 195 HE3 LYS 28 HE3 LYS 28 -1.416 4.554 -20.741 196 HZ1 LYS 28 HZ1 LYS 28 0.164 6.467 -21.105 197 HZ2 LYS 28 HZ2 LYS 28 -1.425 6.885 -20.704 198 HZ3 LYS 28 HZ3 LYS 28 -0.207 6.971 -19.533 199 H LYS 29 H LYS 29 0.555 2.744 -13.693 200 HA LYS 29 HA LYS 29 -1.450 0.700 -13.150 201 HB2 LYS 29 HB2 LYS 29 1.527 0.859 -12.936 202 HB3 LYS 29 HB3 LYS 29 0.670 -0.325 -11.958 203 HG2 LYS 29 HG2 LYS 29 -0.456 -0.921 -14.259 204 HG3 LYS 29 HG3 LYS 29 1.011 -0.185 -14.907 205 HD2 LYS 29 HD2 LYS 29 2.351 -1.715 -13.494 206 HD3 LYS 29 HD3 LYS 29 0.856 -2.490 -12.964 207 HE2 LYS 29 HE2 LYS 29 1.724 -2.286 -15.843 208 HE3 LYS 29 HE3 LYS 29 2.056 -3.677 -14.812 209 HZ1 LYS 29 HZ1 LYS 29 -0.656 -3.137 -14.588 210 HZ2 LYS 29 HZ2 LYS 29 -0.297 -3.062 -16.240 211 HZ3 LYS 29 HZ3 LYS 29 0.072 -4.457 -15.356 212 H GLY 30 H GLY 30 -1.476 3.409 -11.882 213 HA2 GLY 30 HA2 GLY 30 -2.177 4.194 -9.831 214 HA3 GLY 30 HA3 GLY 30 -2.136 2.539 -9.241 215 H ALA 31 H ALA 31 0.775 3.533 -10.672 216 HA ALA 31 HA ALA 31 2.070 3.563 -8.070 217 HB1 ALA 31 HB1 ALA 31 3.451 3.840 -10.722 218 HB2 ALA 31 HB2 ALA 31 4.095 3.220 -9.202 219 HB3 ALA 31 HB3 ALA 31 2.910 2.278 -10.107 220 H GLU 32 H GLU 32 3.835 5.186 -7.698 221 HA GLU 32 HA GLU 32 2.774 7.847 -8.231 222 HB2 GLU 32 HB2 GLU 32 3.549 6.943 -5.926 223 HB3 GLU 32 HB3 GLU 32 5.172 7.262 -6.521 224 HG2 GLU 32 HG2 GLU 32 4.669 9.190 -5.367 225 HG3 GLU 32 HG3 GLU 32 4.275 9.626 -7.028 226 H SER 33 H SER 33 5.556 5.857 -8.953 227 HA SER 33 HA SER 33 6.289 7.176 -11.263 228 HB2 SER 33 HB2 SER 33 7.233 8.522 -8.846 229 HB3 SER 33 HB3 SER 33 8.543 8.100 -9.949 230 HG SER 33 HG SER 33 7.362 10.197 -10.247 231 H GLY 34 H GLY 34 8.355 6.450 -12.140 232 HA2 GLY 34 HA2 GLY 34 10.007 4.610 -10.739 233 HA3 GLY 34 HA3 GLY 34 8.841 3.750 -11.733 234 H TYR 35 H TYR 35 10.977 3.005 -12.661 235 HA TYR 35 HA TYR 35 11.437 4.461 -15.107 236 HB2 TYR 35 HB2 TYR 35 13.966 4.424 -14.714 237 HB3 TYR 35 HB3 TYR 35 13.043 5.661 -13.867 238 HD1 TYR 35 HD1 TYR 35 12.683 5.504 -11.445 239 HD2 TYR 35 HD2 TYR 35 15.065 2.649 -13.514 240 HE1 TYR 35 HE1 TYR 35 13.622 4.743 -9.303 241 HE2 TYR 35 HE2 TYR 35 16.009 1.879 -11.377 242 HH TYR 35 HH TYR 35 15.722 3.593 -8.518 243 H CYS 36 H CYS 36 13.558 3.246 -16.155 244 HA CYS 36 HA CYS 36 12.752 0.426 -16.188 245 HB2 CYS 36 HB2 CYS 36 12.902 2.004 -18.286 246 HB3 CYS 36 HB3 CYS 36 14.619 1.623 -18.199 247 H GLN 37 H GLN 37 13.928 0.016 -14.194 248 HA GLN 37 HA GLN 37 16.764 0.327 -14.088 249 HB2 GLN 37 HB2 GLN 37 15.253 0.224 -12.088 250 HB3 GLN 37 HB3 GLN 37 15.038 -1.493 -12.405 251 HG2 GLN 37 HG2 GLN 37 17.529 -1.735 -12.207 252 HG3 GLN 37 HG3 GLN 37 17.566 -0.069 -11.632 253 HE21 GLN 37 HE21 GLN 37 15.254 -0.046 -10.103 254 HE22 GLN 37 HE22 GLN 37 15.475 -1.079 -8.736 255 H TRP 38 H TRP 38 17.755 -0.692 -15.785 256 HA TRP 38 HA TRP 38 17.130 -3.415 -16.482 257 HB2 TRP 38 HB2 TRP 38 19.045 -3.170 -18.065 258 HB3 TRP 38 HB3 TRP 38 17.819 -1.918 -18.245 259 HD1 TRP 38 HD1 TRP 38 21.066 -2.218 -16.115 260 HE1 TRP 38 HE1 TRP 38 22.354 -0.000 -16.339 261 HE3 TRP 38 HE3 TRP 38 17.861 0.272 -19.224 262 HZ2 TRP 38 HZ2 TRP 38 22.051 2.477 -17.658 263 HZ3 TRP 38 HZ3 TRP 38 18.433 2.562 -19.919 264 HH2 TRP 38 HH2 TRP 38 20.485 3.640 -19.151 265 H ALA 39 H ALA 39 19.221 -4.863 -16.829 266 HA ALA 39 HA ALA 39 20.662 -6.276 -15.767 267 HB1 ALA 39 HB1 ALA 39 21.692 -3.699 -14.584 268 HB2 ALA 39 HB2 ALA 39 22.566 -5.228 -14.677 269 HB3 ALA 39 HB3 ALA 39 22.145 -4.362 -16.154 270 H GLY 40 H GLY 40 18.116 -5.746 -14.442 271 HA2 GLY 40 HA2 GLY 40 18.642 -5.607 -11.612 272 HA3 GLY 40 HA3 GLY 40 17.089 -5.922 -12.372 273 H GLN 41 H GLN 41 17.182 -7.416 -10.376 274 HA GLN 41 HA GLN 41 18.747 -9.672 -10.200 275 HB2 GLN 41 HB2 GLN 41 17.079 -8.974 -8.511 276 HB3 GLN 41 HB3 GLN 41 15.792 -9.499 -9.587 277 HG2 GLN 41 HG2 GLN 41 16.263 -11.134 -7.832 278 HG3 GLN 41 HG3 GLN 41 16.552 -11.784 -9.445 279 HE21 GLN 41 HE21 GLN 41 17.940 -10.919 -6.420 280 HE22 GLN 41 HE22 GLN 41 19.531 -11.516 -6.730 281 H TYR 42 H TYR 42 15.562 -9.487 -11.797 282 HA TYR 42 HA TYR 42 16.159 -11.977 -13.207 283 HB2 TYR 42 HB2 TYR 42 13.577 -10.636 -13.700 284 HB3 TYR 42 HB3 TYR 42 13.921 -12.323 -13.339 285 HD1 TYR 42 HD1 TYR 42 13.179 -9.032 -11.917 286 HD2 TYR 42 HD2 TYR 42 14.005 -13.113 -11.042 287 HE1 TYR 42 HE1 TYR 42 12.387 -8.691 -9.614 288 HE2 TYR 42 HE2 TYR 42 13.214 -12.784 -8.736 289 HH TYR 42 HH TYR 42 13.064 -10.392 -7.167 290 H GLY 43 H GLY 43 17.524 -9.476 -13.878 291 HA2 GLY 43 HA2 GLY 43 18.362 -8.796 -15.961 292 HA3 GLY 43 HA3 GLY 43 16.962 -9.522 -16.737 293 H ASN 44 H ASN 44 16.219 -7.860 -17.943 294 HA ASN 44 HA ASN 44 16.027 -5.190 -16.859 295 HB2 ASN 44 HB2 ASN 44 15.533 -6.466 -19.510 296 HB3 ASN 44 HB3 ASN 44 14.729 -4.938 -19.167 297 HD21 ASN 44 HD21 ASN 44 17.923 -6.122 -18.220 298 HD22 ASN 44 HD22 ASN 44 18.812 -4.850 -18.980 299 H ALA 45 H ALA 45 14.486 -4.846 -15.385 300 HA ALA 45 HA ALA 45 11.737 -5.643 -16.070 301 HB1 ALA 45 HB1 ALA 45 13.176 -6.027 -13.468 302 HB2 ALA 45 HB2 ALA 45 11.418 -5.896 -13.530 303 HB3 ALA 45 HB3 ALA 45 12.237 -7.191 -14.404 304 H CYS 46 H CYS 46 10.172 -4.143 -15.687 305 HA CYS 46 HA CYS 46 10.948 -1.435 -15.407 306 HB2 CYS 46 HB2 CYS 46 8.881 -2.433 -16.601 307 HB3 CYS 46 HB3 CYS 46 8.132 -2.414 -15.008 308 H TRP 47 H TRP 47 11.133 -0.171 -13.666 309 HA TRP 47 HA TRP 47 10.419 -1.324 -11.061 310 HB2 TRP 47 HB2 TRP 47 12.755 -0.776 -11.214 311 HB3 TRP 47 HB3 TRP 47 12.390 0.836 -11.823 312 HD1 TRP 47 HD1 TRP 47 11.529 2.657 -10.041 313 HE1 TRP 47 HE1 TRP 47 11.764 2.780 -7.481 314 HE3 TRP 47 HE3 TRP 47 12.829 -2.199 -9.110 315 HZ2 TRP 47 HZ2 TRP 47 12.416 1.049 -5.349 316 HZ3 TRP 47 HZ3 TRP 47 13.241 -2.884 -6.783 317 HH2 TRP 47 HH2 TRP 47 13.039 -1.292 -4.943 318 H CYS 48 H CYS 48 9.051 -0.311 -9.678 319 HA CYS 48 HA CYS 48 8.026 2.336 -10.432 320 HB2 CYS 48 HB2 CYS 48 6.417 -0.148 -9.864 321 HB3 CYS 48 HB3 CYS 48 5.730 1.464 -9.690 322 H TYR 49 H TYR 49 6.913 3.448 -8.665 323 HA TYR 49 HA TYR 49 8.005 2.644 -6.050 324 HB2 TYR 49 HB2 TYR 49 7.616 5.312 -7.345 325 HB3 TYR 49 HB3 TYR 49 7.543 5.199 -5.590 326 HD1 TYR 49 HD1 TYR 49 9.549 4.078 -4.411 327 HD2 TYR 49 HD2 TYR 49 9.676 5.508 -8.416 328 HE1 TYR 49 HE1 TYR 49 12.005 4.157 -4.298 329 HE2 TYR 49 HE2 TYR 49 12.132 5.590 -8.315 330 HH TYR 49 HH TYR 49 13.895 4.424 -5.480 331 H LYS 50 H LYS 50 6.700 2.648 -4.255 332 HA LYS 50 HA LYS 50 4.740 2.191 -3.162 333 HB2 LYS 50 HB2 LYS 50 3.876 4.740 -4.537 334 HB3 LYS 50 HB3 LYS 50 3.218 4.077 -3.047 335 HG2 LYS 50 HG2 LYS 50 6.095 4.485 -2.925 336 HG3 LYS 50 HG3 LYS 50 5.197 5.970 -3.244 337 HD2 LYS 50 HD2 LYS 50 5.243 5.898 -0.927 338 HD3 LYS 50 HD3 LYS 50 3.677 5.172 -1.299 339 HE2 LYS 50 HE2 LYS 50 4.415 3.585 0.135 340 HE3 LYS 50 HE3 LYS 50 5.195 2.967 -1.320 341 HZ1 LYS 50 HZ1 LYS 50 7.238 3.942 -0.692 342 HZ2 LYS 50 HZ2 LYS 50 6.527 4.834 0.559 343 HZ3 LYS 50 HZ3 LYS 50 6.654 3.151 0.685 344 H LEU 51 H LEU 51 4.702 0.484 -5.104 345 HA LEU 51 HA LEU 51 2.583 0.795 -6.991 346 HB2 LEU 51 HB2 LEU 51 4.392 -1.410 -6.146 347 HB3 LEU 51 HB3 LEU 51 2.929 -1.825 -7.037 348 HG LEU 51 HG LEU 51 5.159 -0.030 -7.994 349 HD11 LEU 51 HD11 LEU 51 5.016 -2.792 -7.945 350 HD12 LEU 51 HD12 LEU 51 4.505 -2.366 -9.578 351 HD13 LEU 51 HD13 LEU 51 6.065 -1.812 -8.970 352 HD21 LEU 51 HD21 LEU 51 3.926 -0.049 -10.134 353 HD22 LEU 51 HD22 LEU 51 2.588 -0.868 -9.329 354 HD23 LEU 51 HD23 LEU 51 3.043 0.765 -8.843 355 HA PRO 52 HA PRO 52 -0.876 -0.319 -4.509 356 HB2 PRO 52 HB2 PRO 52 -2.533 -1.241 -6.453 357 HB3 PRO 52 HB3 PRO 52 -2.177 0.476 -6.228 358 HG2 PRO 52 HG2 PRO 52 -1.004 -1.461 -8.186 359 HG3 PRO 52 HG3 PRO 52 -1.527 0.214 -8.445 360 HD2 PRO 52 HD2 PRO 52 1.073 -0.466 -8.112 361 HD3 PRO 52 HD3 PRO 52 0.415 1.089 -7.562 362 H ASP 53 H ASP 53 -1.441 -2.055 -3.338 363 HA ASP 53 HA ASP 53 -0.174 -4.478 -3.431 364 HB2 ASP 53 HB2 ASP 53 -1.876 -3.424 -1.700 365 HB3 ASP 53 HB3 ASP 53 -3.027 -4.453 -2.548 366 H LYS 54 H LYS 54 -2.894 -3.419 -5.320 367 HA LYS 54 HA LYS 54 -3.849 -5.921 -6.182 368 HB2 LYS 54 HB2 LYS 54 -3.942 -3.180 -7.437 369 HB3 LYS 54 HB3 LYS 54 -4.720 -4.580 -8.163 370 HG2 LYS 54 HG2 LYS 54 -5.881 -4.831 -5.868 371 HG3 LYS 54 HG3 LYS 54 -5.392 -3.152 -5.626 372 HD2 LYS 54 HD2 LYS 54 -6.796 -3.950 -8.143 373 HD3 LYS 54 HD3 LYS 54 -7.722 -3.690 -6.663 374 HE2 LYS 54 HE2 LYS 54 -6.748 -1.437 -6.478 375 HE3 LYS 54 HE3 LYS 54 -5.874 -1.704 -7.985 376 HZ1 LYS 54 HZ1 LYS 54 -7.719 -1.401 -9.212 377 HZ2 LYS 54 HZ2 LYS 54 -8.744 -2.140 -8.087 378 HZ3 LYS 54 HZ3 LYS 54 -8.255 -0.537 -7.860 379 H VAL 55 H VAL 55 -1.352 -3.777 -7.476 380 HA VAL 55 HA VAL 55 -0.790 -5.585 -9.675 381 HB VAL 55 HB VAL 55 0.633 -3.055 -8.833 382 HG11 VAL 55 HG11 VAL 55 2.109 -3.364 -10.484 383 HG12 VAL 55 HG12 VAL 55 1.593 -5.050 -10.454 384 HG13 VAL 55 HG13 VAL 55 0.870 -3.927 -11.606 385 HG21 VAL 55 HG21 VAL 55 -1.816 -2.943 -9.614 386 HG22 VAL 55 HG22 VAL 55 -0.642 -1.885 -10.398 387 HG23 VAL 55 HG23 VAL 55 -1.178 -3.360 -11.204 388 HA PRO 56 HA PRO 56 2.033 -7.826 -6.985 389 HB2 PRO 56 HB2 PRO 56 2.478 -9.838 -8.752 390 HB3 PRO 56 HB3 PRO 56 1.030 -9.749 -7.743 391 HG2 PRO 56 HG2 PRO 56 1.392 -8.965 -10.609 392 HG3 PRO 56 HG3 PRO 56 0.050 -9.841 -9.850 393 HD2 PRO 56 HD2 PRO 56 -0.082 -7.202 -10.440 394 HD3 PRO 56 HD3 PRO 56 -0.920 -7.912 -9.045 395 H ILE 57 H ILE 57 4.271 -8.625 -7.243 396 HA ILE 57 HA ILE 57 5.733 -7.151 -9.336 397 HB ILE 57 HB ILE 57 7.586 -6.859 -7.732 398 HG12 ILE 57 HG12 ILE 57 5.917 -7.345 -5.367 399 HG13 ILE 57 HG13 ILE 57 6.315 -8.806 -6.265 400 HG21 ILE 57 HG21 ILE 57 5.485 -5.590 -6.184 401 HG22 ILE 57 HG22 ILE 57 6.747 -4.869 -7.184 402 HG23 ILE 57 HG23 ILE 57 5.241 -5.415 -7.922 403 HD11 ILE 57 HD11 ILE 57 8.601 -7.054 -5.853 404 HD12 ILE 57 HD12 ILE 57 7.869 -7.627 -4.354 405 HD13 ILE 57 HD13 ILE 57 8.425 -8.785 -5.562 406 H LYS 58 H LYS 58 7.747 -8.073 -10.014 407 HA LYS 58 HA LYS 58 7.632 -10.877 -10.376 408 HB2 LYS 58 HB2 LYS 58 8.669 -9.498 -12.055 409 HB3 LYS 58 HB3 LYS 58 9.836 -8.877 -10.895 410 HG2 LYS 58 HG2 LYS 58 10.911 -10.487 -12.306 411 HG3 LYS 58 HG3 LYS 58 10.774 -11.155 -10.678 412 HD2 LYS 58 HD2 LYS 58 8.511 -12.119 -11.670 413 HD3 LYS 58 HD3 LYS 58 9.395 -11.952 -13.188 414 HE2 LYS 58 HE2 LYS 58 11.261 -13.248 -12.154 415 HE3 LYS 58 HE3 LYS 58 10.225 -13.528 -10.756 416 HZ1 LYS 58 HZ1 LYS 58 8.692 -14.264 -12.889 417 HZ2 LYS 58 HZ2 LYS 58 10.232 -14.834 -13.297 418 HZ3 LYS 58 HZ3 LYS 58 9.510 -15.312 -11.843 419 H VAL 59 H VAL 59 8.495 -12.515 -9.253 420 HA VAL 59 HA VAL 59 10.624 -12.001 -7.324 421 HB VAL 59 HB VAL 59 9.424 -13.322 -5.574 422 HG11 VAL 59 HG11 VAL 59 8.631 -11.430 -4.630 423 HG12 VAL 59 HG12 VAL 59 9.384 -10.671 -6.033 424 HG13 VAL 59 HG13 VAL 59 7.653 -11.009 -6.036 425 HG21 VAL 59 HG21 VAL 59 6.752 -12.812 -6.371 426 HG22 VAL 59 HG22 VAL 59 7.552 -13.671 -7.688 427 HG23 VAL 59 HG23 VAL 59 7.528 -14.367 -6.067 428 H SER 60 H SER 60 11.748 -13.897 -6.651 429 HA SER 60 HA SER 60 12.309 -15.731 -8.625 430 HB2 SER 60 HB2 SER 60 12.563 -16.291 -5.664 431 HB3 SER 60 HB3 SER 60 13.521 -16.992 -6.968 432 HG SER 60 HG SER 60 14.237 -14.980 -5.618 433 H GLY 61 H GLY 61 10.766 -16.918 -9.594 434 HA2 GLY 61 HA2 GLY 61 9.600 -19.106 -8.160 435 HA3 GLY 61 HA3 GLY 61 8.409 -17.880 -8.569 436 H LYS 62 H LYS 62 7.395 -18.132 -10.439 437 HA LYS 62 HA LYS 62 8.738 -19.009 -12.811 438 HB2 LYS 62 HB2 LYS 62 7.084 -20.905 -11.233 439 HB3 LYS 62 HB3 LYS 62 6.858 -20.915 -12.977 440 HG2 LYS 62 HG2 LYS 62 9.428 -21.106 -13.082 441 HG3 LYS 62 HG3 LYS 62 9.300 -21.588 -11.389 442 HD2 LYS 62 HD2 LYS 62 7.851 -23.427 -11.979 443 HD3 LYS 62 HD3 LYS 62 7.817 -22.903 -13.664 444 HE2 LYS 62 HE2 LYS 62 10.429 -23.510 -12.347 445 HE3 LYS 62 HE3 LYS 62 9.411 -24.831 -12.918 446 HZ1 LYS 62 HZ1 LYS 62 10.918 -22.863 -14.434 447 HZ2 LYS 62 HZ2 LYS 62 10.546 -24.469 -14.813 448 HZ3 LYS 62 HZ3 LYS 62 9.392 -23.255 -15.051 449 H CYS 63 H CYS 63 7.858 -17.889 -14.412 450 HA CYS 63 HA CYS 63 5.667 -16.225 -14.191 451 HB2 CYS 63 HB2 CYS 63 7.307 -17.268 -16.405 452 HB3 CYS 63 HB3 CYS 63 5.696 -16.734 -16.872 453 H ASN 64 H ASN 64 3.512 -16.341 -14.748 454 HA ASN 64 HA ASN 64 2.365 -18.699 -15.910 455 HB2 ASN 64 HB2 ASN 64 2.294 -18.267 -12.965 456 HB3 ASN 64 HB3 ASN 64 0.821 -18.848 -13.735 457 HD21 ASN 64 HD21 ASN 64 2.918 -20.053 -11.906 458 HD22 ASN 64 HD22 ASN 64 3.317 -21.553 -12.666 Start of MODEL 8 1 H1 VAL 1 H VAL 1 0.741 0.903 0.189 2 HA VAL 1 HA VAL 1 1.667 -0.431 -1.912 3 HB VAL 1 HB VAL 1 3.057 1.654 -2.528 4 HG11 VAL 1 HG11 VAL 1 1.072 2.890 -3.087 5 HG12 VAL 1 HG12 VAL 1 0.735 1.168 -3.261 6 HG13 VAL 1 HG13 VAL 1 0.145 2.044 -1.848 7 HG21 VAL 1 HG21 VAL 1 3.225 2.253 -0.022 8 HG22 VAL 1 HG22 VAL 1 2.941 3.549 -1.184 9 HG23 VAL 1 HG23 VAL 1 1.602 2.912 -0.230 10 H ARG 2 H ARG 2 3.935 -0.269 -2.964 11 HA ARG 2 HA ARG 2 6.204 -0.425 -1.238 12 HB2 ARG 2 HB2 ARG 2 6.732 -2.802 -1.652 13 HB3 ARG 2 HB3 ARG 2 5.265 -2.597 -0.705 14 HG2 ARG 2 HG2 ARG 2 3.968 -3.538 -2.274 15 HG3 ARG 2 HG3 ARG 2 4.843 -2.773 -3.602 16 HD2 ARG 2 HD2 ARG 2 5.922 -4.671 -3.999 17 HD3 ARG 2 HD3 ARG 2 6.574 -4.654 -2.361 18 HE ARG 2 HE ARG 2 4.388 -6.247 -3.344 19 HH11 ARG 2 HH11 ARG 2 5.886 -4.845 -0.531 20 HH12 ARG 2 HH12 ARG 2 5.195 -5.991 0.569 21 HH21 ARG 2 HH21 ARG 2 3.473 -7.762 -1.906 22 HH22 ARG 2 HH22 ARG 2 3.823 -7.651 -0.214 23 H ASP 3 H ASP 3 8.163 -0.521 -2.374 24 HA ASP 3 HA ASP 3 7.909 0.150 -5.200 25 HB2 ASP 3 HB2 ASP 3 10.542 0.161 -3.797 26 HB3 ASP 3 HB3 ASP 3 9.916 1.266 -5.017 27 H GLY 4 H GLY 4 8.832 -0.990 -6.860 28 HA2 GLY 4 HA2 GLY 4 10.783 -2.912 -6.797 29 HA3 GLY 4 HA3 GLY 4 9.309 -3.778 -6.387 30 H TYR 5 H TYR 5 10.245 -4.814 -8.489 31 HA TYR 5 HA TYR 5 9.564 -3.400 -10.916 32 HB2 TYR 5 HB2 TYR 5 10.452 -6.262 -10.500 33 HB3 TYR 5 HB3 TYR 5 10.313 -5.449 -12.055 34 HD1 TYR 5 HD1 TYR 5 12.578 -6.448 -9.645 35 HD2 TYR 5 HD2 TYR 5 11.643 -3.082 -12.074 36 HE1 TYR 5 HE1 TYR 5 14.897 -5.657 -9.431 37 HE2 TYR 5 HE2 TYR 5 13.960 -2.283 -11.867 38 HH TYR 5 HH TYR 5 16.028 -2.790 -11.169 39 H ILE 6 H ILE 6 7.696 -3.501 -11.983 40 HA ILE 6 HA ILE 6 5.482 -4.936 -10.864 41 HB ILE 6 HB ILE 6 4.114 -3.796 -12.357 42 HG12 ILE 6 HG12 ILE 6 6.528 -3.525 -14.159 43 HG13 ILE 6 HG13 ILE 6 5.110 -4.530 -14.437 44 HG21 ILE 6 HG21 ILE 6 6.137 -1.696 -12.568 45 HG22 ILE 6 HG22 ILE 6 4.572 -1.689 -11.754 46 HG23 ILE 6 HG23 ILE 6 5.981 -2.383 -10.951 47 HD11 ILE 6 HD11 ILE 6 5.541 -1.960 -15.365 48 HD12 ILE 6 HD12 ILE 6 4.022 -2.855 -15.391 49 HD13 ILE 6 HD13 ILE 6 4.381 -1.767 -14.051 50 H ALA 7 H ALA 7 4.247 -6.566 -11.850 51 HA ALA 7 HA ALA 7 5.670 -8.085 -13.938 52 HB1 ALA 7 HB1 ALA 7 5.819 -9.369 -11.968 53 HB2 ALA 7 HB2 ALA 7 4.134 -9.061 -11.546 54 HB3 ALA 7 HB3 ALA 7 4.524 -10.102 -12.915 55 H ASP 8 H ASP 8 4.284 -9.438 -15.310 56 HA ASP 8 HA ASP 8 1.824 -8.006 -15.979 57 HB2 ASP 8 HB2 ASP 8 1.948 -9.391 -18.090 58 HB3 ASP 8 HB3 ASP 8 3.285 -8.271 -17.846 59 H ASP 9 H ASP 9 0.326 -9.836 -17.256 60 HA ASP 9 HA ASP 9 -1.035 -11.147 -15.199 61 HB2 ASP 9 HB2 ASP 9 -1.097 -11.432 -18.195 62 HB3 ASP 9 HB3 ASP 9 -2.104 -12.441 -17.160 63 H LYS 10 H LYS 10 1.739 -12.084 -16.983 64 HA LYS 10 HA LYS 10 1.460 -14.884 -16.154 65 HB2 LYS 10 HB2 LYS 10 3.520 -13.645 -17.987 66 HB3 LYS 10 HB3 LYS 10 3.277 -15.363 -17.699 67 HG2 LYS 10 HG2 LYS 10 0.816 -14.695 -18.529 68 HG3 LYS 10 HG3 LYS 10 1.767 -13.491 -19.402 69 HD2 LYS 10 HD2 LYS 10 2.847 -16.225 -19.474 70 HD3 LYS 10 HD3 LYS 10 1.294 -16.013 -20.286 71 HE2 LYS 10 HE2 LYS 10 2.610 -15.426 -22.026 72 HE3 LYS 10 HE3 LYS 10 2.593 -13.858 -21.222 73 HZ1 LYS 10 HZ1 LYS 10 4.834 -14.806 -21.913 74 HZ2 LYS 10 HZ2 LYS 10 4.703 -14.209 -20.335 75 HZ3 LYS 10 HZ3 LYS 10 4.664 -15.877 -20.615 76 H ASN 11 H ASN 11 2.180 -12.533 -14.415 77 HA ASN 11 HA ASN 11 3.613 -12.022 -12.722 78 HB2 ASN 11 HB2 ASN 11 3.011 -14.572 -12.388 79 HB3 ASN 11 HB3 ASN 11 4.714 -14.803 -12.773 80 HD21 ASN 11 HD21 ASN 11 6.260 -14.188 -11.323 81 HD22 ASN 11 HD22 ASN 11 5.899 -13.667 -9.715 82 H CYS 12 H CYS 12 4.565 -11.891 -15.549 83 HA CYS 12 HA CYS 12 7.443 -12.308 -15.203 84 HB2 CYS 12 HB2 CYS 12 5.611 -12.163 -17.509 85 HB3 CYS 12 HB3 CYS 12 7.167 -11.376 -17.749 86 H ALA 13 H ALA 13 8.897 -10.671 -15.133 87 HA ALA 13 HA ALA 13 8.069 -8.113 -14.319 88 HB1 ALA 13 HB1 ALA 13 10.531 -9.520 -14.602 89 HB2 ALA 13 HB2 ALA 13 10.704 -7.918 -15.319 90 HB3 ALA 13 HB3 ALA 13 10.181 -8.082 -13.643 91 H TYR 14 H TYR 14 7.905 -6.170 -15.361 92 HA TYR 14 HA TYR 14 7.246 -6.207 -18.117 93 HB2 TYR 14 HB2 TYR 14 7.381 -4.173 -15.969 94 HB3 TYR 14 HB3 TYR 14 7.525 -3.567 -17.615 95 HD1 TYR 14 HD1 TYR 14 5.498 -2.513 -18.059 96 HD2 TYR 14 HD2 TYR 14 5.473 -6.383 -16.291 97 HE1 TYR 14 HE1 TYR 14 3.053 -2.606 -18.310 98 HE2 TYR 14 HE2 TYR 14 3.028 -6.487 -16.538 99 HH TYR 14 HH TYR 14 1.223 -5.504 -17.415 100 H PHE 15 H PHE 15 8.966 -6.876 -19.357 101 HA PHE 15 HA PHE 15 11.592 -5.819 -19.115 102 HB2 PHE 15 HB2 PHE 15 10.405 -7.134 -21.560 103 HB3 PHE 15 HB3 PHE 15 12.103 -7.054 -21.104 104 HD1 PHE 15 HD1 PHE 15 9.846 -9.372 -21.589 105 HD2 PHE 15 HD2 PHE 15 12.050 -7.819 -18.295 106 HE1 PHE 15 HE1 PHE 15 9.630 -11.532 -20.430 107 HE2 PHE 15 HE2 PHE 15 11.837 -9.976 -17.131 108 HZ PHE 15 HZ PHE 15 10.627 -11.837 -18.199 109 H CYS 16 H CYS 16 11.005 -3.525 -19.057 110 HA CYS 16 HA CYS 16 10.072 -2.297 -21.497 111 HB2 CYS 16 HB2 CYS 16 10.385 -0.175 -20.275 112 HB3 CYS 16 HB3 CYS 16 9.427 -1.330 -19.354 113 H GLY 17 H GLY 17 11.417 -0.213 -22.139 114 HA2 GLY 17 HA2 GLY 17 14.288 -0.746 -22.137 115 HA3 GLY 17 HA3 GLY 17 13.481 -0.780 -23.697 116 H ARG 18 H ARG 18 12.111 1.397 -21.472 117 HA ARG 18 HA ARG 18 13.798 3.633 -22.216 118 HB2 ARG 18 HB2 ARG 18 11.162 3.117 -23.446 119 HB3 ARG 18 HB3 ARG 18 11.418 4.758 -22.866 120 HG2 ARG 18 HG2 ARG 18 13.723 4.369 -24.195 121 HG3 ARG 18 HG3 ARG 18 12.643 3.333 -25.130 122 HD2 ARG 18 HD2 ARG 18 11.271 5.107 -25.744 123 HD3 ARG 18 HD3 ARG 18 11.836 6.127 -24.422 124 HE ARG 18 HE ARG 18 14.012 5.627 -26.083 125 HH11 ARG 18 HH11 ARG 18 10.930 7.240 -26.226 126 HH12 ARG 18 HH12 ARG 18 11.448 8.406 -27.399 127 HH21 ARG 18 HH21 ARG 18 14.705 7.156 -27.627 128 HH22 ARG 18 HH22 ARG 18 13.595 8.356 -28.196 129 H ASN 19 H ASN 19 13.790 5.201 -20.698 130 HA ASN 19 HA ASN 19 12.703 4.744 -18.176 131 HB2 ASN 19 HB2 ASN 19 13.160 7.299 -17.902 132 HB3 ASN 19 HB3 ASN 19 14.513 6.204 -18.171 133 HD21 ASN 19 HD21 ASN 19 15.704 6.374 -20.001 134 HD22 ASN 19 HD22 ASN 19 15.466 7.601 -21.193 135 H ALA 20 H ALA 20 11.697 7.244 -20.517 136 HA ALA 20 HA ALA 20 9.466 8.181 -19.204 137 HB1 ALA 20 HB1 ALA 20 9.501 7.840 -22.185 138 HB2 ALA 20 HB2 ALA 20 8.782 9.136 -21.229 139 HB3 ALA 20 HB3 ALA 20 10.535 9.013 -21.371 140 H TYR 21 H TYR 21 9.696 5.409 -21.402 141 HA TYR 21 HA TYR 21 7.020 4.748 -21.613 142 HB2 TYR 21 HB2 TYR 21 8.529 3.552 -22.976 143 HB3 TYR 21 HB3 TYR 21 9.509 3.053 -21.602 144 HD1 TYR 21 HD1 TYR 21 8.855 1.168 -20.225 145 HD2 TYR 21 HD2 TYR 21 6.445 2.404 -23.507 146 HE1 TYR 21 HE1 TYR 21 7.617 -0.954 -20.107 147 HE2 TYR 21 HE2 TYR 21 5.199 0.286 -23.397 148 HH TYR 21 HH TYR 21 5.668 -1.989 -20.785 149 H CYS 22 H CYS 22 9.352 3.502 -19.220 150 HA CYS 22 HA CYS 22 7.568 1.962 -17.737 151 HB2 CYS 22 HB2 CYS 22 10.236 3.145 -17.289 152 HB3 CYS 22 HB3 CYS 22 9.326 2.773 -15.829 153 H ASP 23 H ASP 23 8.582 5.331 -17.211 154 HA ASP 23 HA ASP 23 7.182 5.913 -14.921 155 HB2 ASP 23 HB2 ASP 23 8.747 7.448 -16.148 156 HB3 ASP 23 HB3 ASP 23 7.439 7.789 -17.278 157 H GLU 24 H GLU 24 5.975 5.736 -18.224 158 HA GLU 24 HA GLU 24 3.397 6.788 -17.670 159 HB2 GLU 24 HB2 GLU 24 4.386 6.691 -19.940 160 HB3 GLU 24 HB3 GLU 24 4.245 4.939 -19.906 161 HG2 GLU 24 HG2 GLU 24 1.737 5.383 -19.482 162 HG3 GLU 24 HG3 GLU 24 2.091 7.000 -20.087 163 H GLU 25 H GLU 25 4.464 3.436 -18.276 164 HA GLU 25 HA GLU 25 2.026 2.220 -17.629 165 HB2 GLU 25 HB2 GLU 25 4.685 0.901 -17.152 166 HB3 GLU 25 HB3 GLU 25 3.176 0.168 -17.678 167 HG2 GLU 25 HG2 GLU 25 5.137 1.779 -19.252 168 HG3 GLU 25 HG3 GLU 25 4.473 0.183 -19.595 169 H CYS 26 H CYS 26 4.649 3.347 -15.629 170 HA CYS 26 HA CYS 26 4.028 1.933 -13.272 171 HB2 CYS 26 HB2 CYS 26 5.596 4.382 -13.933 172 HB3 CYS 26 HB3 CYS 26 5.166 4.109 -12.247 173 H LYS 27 H LYS 27 3.456 5.400 -13.889 174 HA LYS 27 HA LYS 27 1.734 5.865 -11.779 175 HB2 LYS 27 HB2 LYS 27 2.615 7.713 -13.013 176 HB3 LYS 27 HB3 LYS 27 1.877 7.149 -14.506 177 HG2 LYS 27 HG2 LYS 27 -0.259 7.800 -13.838 178 HG3 LYS 27 HG3 LYS 27 0.206 7.907 -12.138 179 HD2 LYS 27 HD2 LYS 27 0.091 10.135 -12.802 180 HD3 LYS 27 HD3 LYS 27 1.813 9.766 -12.928 181 HE2 LYS 27 HE2 LYS 27 1.452 9.291 -15.353 182 HE3 LYS 27 HE3 LYS 27 -0.203 9.870 -15.167 183 HZ1 LYS 27 HZ1 LYS 27 0.582 11.889 -15.564 184 HZ2 LYS 27 HZ2 LYS 27 1.394 11.830 -14.081 185 HZ3 LYS 27 HZ3 LYS 27 2.188 11.362 -15.499 186 H LYS 28 H LYS 28 0.951 4.807 -15.072 187 HA LYS 28 HA LYS 28 -1.836 4.839 -14.837 188 HB2 LYS 28 HB2 LYS 28 0.011 3.154 -16.525 189 HB3 LYS 28 HB3 LYS 28 -1.741 3.076 -16.667 190 HG2 LYS 28 HG2 LYS 28 -0.996 5.803 -16.787 191 HG3 LYS 28 HG3 LYS 28 0.065 4.904 -17.874 192 HD2 LYS 28 HD2 LYS 28 -2.927 4.568 -17.866 193 HD3 LYS 28 HD3 LYS 28 -2.102 5.763 -18.871 194 HE2 LYS 28 HE2 LYS 28 -2.067 4.091 -20.380 195 HE3 LYS 28 HE3 LYS 28 -0.665 3.553 -19.456 196 HZ1 LYS 28 HZ1 LYS 28 -2.552 1.895 -19.967 197 HZ2 LYS 28 HZ2 LYS 28 -1.871 1.907 -18.418 198 HZ3 LYS 28 HZ3 LYS 28 -3.363 2.656 -18.692 199 H LYS 29 H LYS 29 0.520 2.655 -13.571 200 HA LYS 29 HA LYS 29 -1.469 0.605 -12.984 201 HB2 LYS 29 HB2 LYS 29 1.509 0.769 -12.855 202 HB3 LYS 29 HB3 LYS 29 0.691 -0.392 -11.818 203 HG2 LYS 29 HG2 LYS 29 -0.512 -1.050 -14.062 204 HG3 LYS 29 HG3 LYS 29 0.928 -0.325 -14.780 205 HD2 LYS 29 HD2 LYS 29 2.308 -1.811 -13.319 206 HD3 LYS 29 HD3 LYS 29 0.817 -2.611 -12.814 207 HE2 LYS 29 HE2 LYS 29 1.730 -2.382 -15.678 208 HE3 LYS 29 HE3 LYS 29 2.056 -3.775 -14.648 209 HZ1 LYS 29 HZ1 LYS 29 -0.628 -3.389 -14.403 210 HZ2 LYS 29 HZ2 LYS 29 -0.342 -3.064 -16.039 211 HZ3 LYS 29 HZ3 LYS 29 0.120 -4.552 -15.379 212 H GLY 30 H GLY 30 -1.466 3.325 -11.733 213 HA2 GLY 30 HA2 GLY 30 -2.128 4.122 -9.673 214 HA3 GLY 30 HA3 GLY 30 -2.078 2.471 -9.074 215 H ALA 31 H ALA 31 0.799 3.493 -10.571 216 HA ALA 31 HA ALA 31 2.163 3.487 -8.009 217 HB1 ALA 31 HB1 ALA 31 2.959 2.292 -10.131 218 HB2 ALA 31 HB2 ALA 31 3.483 3.887 -10.673 219 HB3 ALA 31 HB3 ALA 31 4.154 3.193 -9.197 220 H GLU 32 H GLU 32 3.789 5.138 -7.500 221 HA GLU 32 HA GLU 32 2.693 7.783 -7.924 222 HB2 GLU 32 HB2 GLU 32 3.596 6.849 -5.707 223 HB3 GLU 32 HB3 GLU 32 5.195 7.135 -6.381 224 HG2 GLU 32 HG2 GLU 32 4.428 9.532 -6.758 225 HG3 GLU 32 HG3 GLU 32 3.073 9.139 -5.702 226 H SER 33 H SER 33 5.555 5.952 -8.819 227 HA SER 33 HA SER 33 6.087 7.325 -11.153 228 HB2 SER 33 HB2 SER 33 7.110 8.686 -8.754 229 HB3 SER 33 HB3 SER 33 8.319 8.426 -10.011 230 HG SER 33 HG SER 33 6.784 9.406 -11.479 231 H GLY 34 H GLY 34 7.965 6.580 -12.227 232 HA2 GLY 34 HA2 GLY 34 9.895 4.932 -10.900 233 HA3 GLY 34 HA3 GLY 34 8.714 3.977 -11.785 234 H TYR 35 H TYR 35 10.559 3.246 -13.039 235 HA TYR 35 HA TYR 35 10.758 4.557 -15.518 236 HB2 TYR 35 HB2 TYR 35 13.292 5.005 -15.333 237 HB3 TYR 35 HB3 TYR 35 12.191 6.180 -14.623 238 HD1 TYR 35 HD1 TYR 35 13.489 2.909 -13.365 239 HD2 TYR 35 HD2 TYR 35 13.220 7.114 -12.775 240 HE1 TYR 35 HE1 TYR 35 14.640 2.673 -11.205 241 HE2 TYR 35 HE2 TYR 35 14.372 6.890 -10.614 242 HH TYR 35 HH TYR 35 14.574 4.664 -8.859 243 H CYS 36 H CYS 36 12.950 3.630 -16.659 244 HA CYS 36 HA CYS 36 12.685 0.736 -16.362 245 HB2 CYS 36 HB2 CYS 36 12.565 2.151 -18.595 246 HB3 CYS 36 HB3 CYS 36 14.317 1.990 -18.527 247 H GLN 37 H GLN 37 14.041 -0.126 -14.923 248 HA GLN 37 HA GLN 37 16.886 0.593 -15.118 249 HB2 GLN 37 HB2 GLN 37 15.959 1.648 -13.115 250 HB3 GLN 37 HB3 GLN 37 15.335 0.097 -12.571 251 HG2 GLN 37 HG2 GLN 37 17.300 -0.531 -11.728 252 HG3 GLN 37 HG3 GLN 37 18.197 0.067 -13.122 253 HE21 GLN 37 HE21 GLN 37 16.155 1.596 -10.653 254 HE22 GLN 37 HE22 GLN 37 17.323 2.775 -10.174 255 H TRP 38 H TRP 38 18.246 -1.083 -15.282 256 HA TRP 38 HA TRP 38 17.165 -3.735 -15.493 257 HB2 TRP 38 HB2 TRP 38 19.518 -4.369 -16.031 258 HB3 TRP 38 HB3 TRP 38 18.891 -3.071 -17.043 259 HD1 TRP 38 HD1 TRP 38 20.813 -3.148 -13.655 260 HE1 TRP 38 HE1 TRP 38 22.690 -1.391 -13.782 261 HE3 TRP 38 HE3 TRP 38 19.969 -1.398 -18.384 262 HZ2 TRP 38 HZ2 TRP 38 23.681 0.488 -15.641 263 HZ3 TRP 38 HZ3 TRP 38 21.426 0.380 -19.261 264 HH2 TRP 38 HH2 TRP 38 23.243 1.303 -17.916 265 H ALA 39 H ALA 39 18.748 -5.522 -14.497 266 HA ALA 39 HA ALA 39 19.978 -5.171 -12.041 267 HB1 ALA 39 HB1 ALA 39 18.364 -4.855 -10.554 268 HB2 ALA 39 HB2 ALA 39 17.152 -4.914 -11.834 269 HB3 ALA 39 HB3 ALA 39 17.643 -6.397 -11.015 270 H GLY 40 H GLY 40 20.215 -7.250 -10.810 271 HA2 GLY 40 HA2 GLY 40 20.875 -9.345 -12.577 272 HA3 GLY 40 HA3 GLY 40 20.833 -9.461 -10.824 273 H GLN 41 H GLN 41 18.290 -9.193 -10.124 274 HA GLN 41 HA GLN 41 17.138 -11.666 -10.739 275 HB2 GLN 41 HB2 GLN 41 15.077 -10.699 -9.650 276 HB3 GLN 41 HB3 GLN 41 16.545 -10.628 -8.685 277 HG2 GLN 41 HG2 GLN 41 15.973 -8.268 -10.355 278 HG3 GLN 41 HG3 GLN 41 14.873 -8.561 -9.010 279 HE21 GLN 41 HE21 GLN 41 15.744 -8.644 -6.883 280 HE22 GLN 41 HE22 GLN 41 17.217 -7.826 -6.504 281 H TYR 42 H TYR 42 15.865 -12.355 -12.338 282 HA TYR 42 HA TYR 42 14.886 -12.350 -14.408 283 HB2 TYR 42 HB2 TYR 42 13.138 -10.115 -14.085 284 HB3 TYR 42 HB3 TYR 42 12.760 -11.830 -13.964 285 HD1 TYR 42 HD1 TYR 42 13.099 -12.973 -11.714 286 HD2 TYR 42 HD2 TYR 42 13.108 -8.744 -12.181 287 HE1 TYR 42 HE1 TYR 42 12.667 -12.712 -9.306 288 HE2 TYR 42 HE2 TYR 42 12.677 -8.471 -9.775 289 HH TYR 42 HH TYR 42 12.811 -11.150 -7.568 290 H GLY 43 H GLY 43 17.288 -10.744 -14.231 291 HA2 GLY 43 HA2 GLY 43 18.445 -9.129 -15.393 292 HA3 GLY 43 HA3 GLY 43 17.386 -9.589 -16.719 293 H ASN 44 H ASN 44 16.363 -7.938 -17.610 294 HA ASN 44 HA ASN 44 16.140 -5.420 -16.215 295 HB2 ASN 44 HB2 ASN 44 15.705 -6.372 -19.004 296 HB3 ASN 44 HB3 ASN 44 14.852 -4.917 -18.497 297 HD21 ASN 44 HD21 ASN 44 18.059 -6.108 -17.611 298 HD22 ASN 44 HD22 ASN 44 18.925 -4.737 -18.208 299 H ALA 45 H ALA 45 14.221 -4.324 -15.733 300 HA ALA 45 HA ALA 45 11.640 -5.410 -16.213 301 HB1 ALA 45 HB1 ALA 45 12.567 -5.619 -13.355 302 HB2 ALA 45 HB2 ALA 45 11.021 -6.137 -14.029 303 HB3 ALA 45 HB3 ALA 45 12.504 -6.985 -14.469 304 H CYS 46 H CYS 46 10.065 -3.913 -15.856 305 HA CYS 46 HA CYS 46 10.801 -1.228 -15.485 306 HB2 CYS 46 HB2 CYS 46 8.706 -2.264 -16.635 307 HB3 CYS 46 HB3 CYS 46 7.996 -2.197 -15.025 308 H TRP 47 H TRP 47 11.157 -0.077 -13.710 309 HA TRP 47 HA TRP 47 10.396 -1.231 -11.120 310 HB2 TRP 47 HB2 TRP 47 12.751 -0.802 -11.277 311 HB3 TRP 47 HB3 TRP 47 12.472 0.831 -11.876 312 HD1 TRP 47 HD1 TRP 47 11.727 2.687 -10.079 313 HE1 TRP 47 HE1 TRP 47 11.987 2.785 -7.520 314 HE3 TRP 47 HE3 TRP 47 12.761 -2.238 -9.181 315 HZ2 TRP 47 HZ2 TRP 47 12.557 1.009 -5.402 316 HZ3 TRP 47 HZ3 TRP 47 13.151 -2.957 -6.860 317 HH2 TRP 47 HH2 TRP 47 13.051 -1.365 -5.011 318 H CYS 48 H CYS 48 9.037 -0.216 -9.749 319 HA CYS 48 HA CYS 48 8.163 2.509 -10.419 320 HB2 CYS 48 HB2 CYS 48 6.375 0.166 -9.742 321 HB3 CYS 48 HB3 CYS 48 5.831 1.838 -9.833 322 H TYR 49 H TYR 49 7.094 3.622 -8.616 323 HA TYR 49 HA TYR 49 8.189 2.727 -6.034 324 HB2 TYR 49 HB2 TYR 49 7.836 5.433 -7.258 325 HB3 TYR 49 HB3 TYR 49 7.787 5.277 -5.506 326 HD1 TYR 49 HD1 TYR 49 9.786 4.202 -4.347 327 HD2 TYR 49 HD2 TYR 49 9.885 5.502 -8.397 328 HE1 TYR 49 HE1 TYR 49 12.244 4.229 -4.271 329 HE2 TYR 49 HE2 TYR 49 12.344 5.533 -8.333 330 HH TYR 49 HH TYR 49 14.111 5.515 -5.583 331 H LYS 50 H LYS 50 6.918 2.815 -4.190 332 HA LYS 50 HA LYS 50 4.966 2.365 -3.075 333 HB2 LYS 50 HB2 LYS 50 4.112 4.916 -4.455 334 HB3 LYS 50 HB3 LYS 50 3.463 4.267 -2.954 335 HG2 LYS 50 HG2 LYS 50 6.347 4.651 -2.872 336 HG3 LYS 50 HG3 LYS 50 5.452 6.142 -3.176 337 HD2 LYS 50 HD2 LYS 50 5.538 6.063 -0.859 338 HD3 LYS 50 HD3 LYS 50 3.958 5.358 -1.209 339 HE2 LYS 50 HE2 LYS 50 5.058 3.102 -1.102 340 HE3 LYS 50 HE3 LYS 50 6.507 3.912 -0.508 341 HZ1 LYS 50 HZ1 LYS 50 5.517 4.429 1.475 342 HZ2 LYS 50 HZ2 LYS 50 3.946 4.388 0.848 343 HZ3 LYS 50 HZ3 LYS 50 4.775 2.944 1.148 344 H LEU 51 H LEU 51 4.888 0.649 -5.009 345 HA LEU 51 HA LEU 51 2.736 0.974 -6.860 346 HB2 LEU 51 HB2 LEU 51 4.571 -1.226 -6.069 347 HB3 LEU 51 HB3 LEU 51 3.083 -1.651 -6.913 348 HG LEU 51 HG LEU 51 5.266 0.160 -7.943 349 HD11 LEU 51 HD11 LEU 51 4.588 -2.199 -9.489 350 HD12 LEU 51 HD12 LEU 51 6.161 -1.613 -8.947 351 HD13 LEU 51 HD13 LEU 51 5.169 -2.600 -7.873 352 HD21 LEU 51 HD21 LEU 51 2.672 -0.722 -9.205 353 HD22 LEU 51 HD22 LEU 51 3.108 0.919 -8.727 354 HD23 LEU 51 HD23 LEU 51 3.973 0.124 -10.043 355 HA PRO 52 HA PRO 52 -0.662 -0.135 -4.289 356 HB2 PRO 52 HB2 PRO 52 -2.388 -0.985 -6.204 357 HB3 PRO 52 HB3 PRO 52 -2.001 0.721 -5.948 358 HG2 PRO 52 HG2 PRO 52 -0.914 -1.182 -7.987 359 HG3 PRO 52 HG3 PRO 52 -1.420 0.506 -8.189 360 HD2 PRO 52 HD2 PRO 52 1.179 -0.218 -7.950 361 HD3 PRO 52 HD3 PRO 52 0.559 1.331 -7.343 362 H ASP 53 H ASP 53 -1.198 -1.890 -3.138 363 HA ASP 53 HA ASP 53 0.025 -4.331 -3.350 364 HB2 ASP 53 HB2 ASP 53 -1.566 -3.294 -1.509 365 HB3 ASP 53 HB3 ASP 53 -2.781 -4.275 -2.325 366 H LYS 54 H LYS 54 -2.748 -3.170 -5.089 367 HA LYS 54 HA LYS 54 -3.792 -5.638 -5.962 368 HB2 LYS 54 HB2 LYS 54 -3.876 -2.980 -7.400 369 HB3 LYS 54 HB3 LYS 54 -4.947 -4.348 -7.673 370 HG2 LYS 54 HG2 LYS 54 -4.958 -3.555 -4.899 371 HG3 LYS 54 HG3 LYS 54 -5.366 -2.204 -5.959 372 HD2 LYS 54 HD2 LYS 54 -6.654 -4.907 -6.232 373 HD3 LYS 54 HD3 LYS 54 -7.291 -3.664 -5.153 374 HE2 LYS 54 HE2 LYS 54 -7.582 -2.149 -7.014 375 HE3 LYS 54 HE3 LYS 54 -6.827 -3.304 -8.112 376 HZ1 LYS 54 HZ1 LYS 54 -9.342 -3.208 -8.095 377 HZ2 LYS 54 HZ2 LYS 54 -8.645 -4.744 -7.950 378 HZ3 LYS 54 HZ3 LYS 54 -9.272 -3.966 -6.584 379 H VAL 55 H VAL 55 -1.315 -3.503 -7.297 380 HA VAL 55 HA VAL 55 -0.906 -5.217 -9.599 381 HB VAL 55 HB VAL 55 0.596 -2.762 -8.682 382 HG11 VAL 55 HG11 VAL 55 1.630 -2.773 -10.889 383 HG12 VAL 55 HG12 VAL 55 2.015 -4.251 -10.008 384 HG13 VAL 55 HG13 VAL 55 0.797 -4.276 -11.283 385 HG21 VAL 55 HG21 VAL 55 -1.910 -2.803 -9.624 386 HG22 VAL 55 HG22 VAL 55 -0.775 -1.499 -9.971 387 HG23 VAL 55 HG23 VAL 55 -1.030 -2.783 -11.152 388 HA PRO 56 HA PRO 56 1.946 -7.708 -7.183 389 HB2 PRO 56 HB2 PRO 56 2.284 -9.598 -9.103 390 HB3 PRO 56 HB3 PRO 56 0.869 -9.545 -8.046 391 HG2 PRO 56 HG2 PRO 56 1.170 -8.565 -10.858 392 HG3 PRO 56 HG3 PRO 56 -0.173 -9.459 -10.123 393 HD2 PRO 56 HD2 PRO 56 -0.249 -6.782 -10.518 394 HD3 PRO 56 HD3 PRO 56 -1.066 -7.569 -9.153 395 H ILE 57 H ILE 57 4.166 -8.342 -7.403 396 HA ILE 57 HA ILE 57 5.601 -6.864 -9.512 397 HB ILE 57 HB ILE 57 7.488 -6.664 -7.904 398 HG12 ILE 57 HG12 ILE 57 5.851 -7.046 -5.527 399 HG13 ILE 57 HG13 ILE 57 6.044 -8.539 -6.439 400 HG21 ILE 57 HG21 ILE 57 5.344 -5.348 -6.415 401 HG22 ILE 57 HG22 ILE 57 6.721 -4.657 -7.273 402 HG23 ILE 57 HG23 ILE 57 5.263 -5.103 -8.160 403 HD11 ILE 57 HD11 ILE 57 8.221 -8.719 -5.926 404 HD12 ILE 57 HD12 ILE 57 8.500 -6.980 -6.018 405 HD13 ILE 57 HD13 ILE 57 7.771 -7.680 -4.573 406 H LYS 58 H LYS 58 7.576 -7.777 -10.274 407 HA LYS 58 HA LYS 58 7.459 -10.570 -10.693 408 HB2 LYS 58 HB2 LYS 58 8.460 -9.133 -12.354 409 HB3 LYS 58 HB3 LYS 58 9.666 -8.570 -11.205 410 HG2 LYS 58 HG2 LYS 58 10.650 -10.156 -12.731 411 HG3 LYS 58 HG3 LYS 58 10.605 -10.838 -11.103 412 HD2 LYS 58 HD2 LYS 58 8.531 -12.052 -11.726 413 HD3 LYS 58 HD3 LYS 58 8.709 -11.443 -13.373 414 HE2 LYS 58 HE2 LYS 58 11.153 -12.494 -13.009 415 HE3 LYS 58 HE3 LYS 58 10.220 -13.543 -11.944 416 HZ1 LYS 58 HZ1 LYS 58 8.783 -14.111 -13.770 417 HZ2 LYS 58 HZ2 LYS 58 9.586 -13.036 -14.800 418 HZ3 LYS 58 HZ3 LYS 58 10.388 -14.407 -14.217 419 H VAL 59 H VAL 59 8.551 -12.251 -9.786 420 HA VAL 59 HA VAL 59 10.543 -11.695 -7.715 421 HB VAL 59 HB VAL 59 9.451 -13.419 -6.233 422 HG11 VAL 59 HG11 VAL 59 9.227 -10.780 -6.203 423 HG12 VAL 59 HG12 VAL 59 7.532 -11.169 -6.497 424 HG13 VAL 59 HG13 VAL 59 8.347 -11.801 -5.066 425 HG21 VAL 59 HG21 VAL 59 7.752 -13.704 -8.449 426 HG22 VAL 59 HG22 VAL 59 7.619 -14.498 -6.880 427 HG23 VAL 59 HG23 VAL 59 6.776 -12.977 -7.172 428 H SER 60 H SER 60 11.535 -13.810 -6.921 429 HA SER 60 HA SER 60 12.821 -15.120 -8.946 430 HB2 SER 60 HB2 SER 60 12.115 -16.319 -6.257 431 HB3 SER 60 HB3 SER 60 13.424 -16.842 -7.316 432 HG SER 60 HG SER 60 13.657 -15.121 -5.445 433 H GLY 61 H GLY 61 11.828 -16.046 -10.635 434 HA2 GLY 61 HA2 GLY 61 10.814 -18.530 -10.732 435 HA3 GLY 61 HA3 GLY 61 9.400 -17.593 -10.273 436 H LYS 62 H LYS 62 10.911 -18.937 -12.827 437 HA LYS 62 HA LYS 62 10.829 -16.965 -14.824 438 HB2 LYS 62 HB2 LYS 62 10.632 -19.969 -14.917 439 HB3 LYS 62 HB3 LYS 62 10.579 -18.990 -16.377 440 HG2 LYS 62 HG2 LYS 62 12.831 -18.881 -14.388 441 HG3 LYS 62 HG3 LYS 62 12.821 -19.936 -15.803 442 HD2 LYS 62 HD2 LYS 62 12.389 -16.974 -16.045 443 HD3 LYS 62 HD3 LYS 62 14.010 -17.671 -16.001 444 HE2 LYS 62 HE2 LYS 62 13.310 -19.152 -17.908 445 HE3 LYS 62 HE3 LYS 62 11.830 -18.200 -18.013 446 HZ1 LYS 62 HZ1 LYS 62 12.920 -16.746 -19.250 447 HZ2 LYS 62 HZ2 LYS 62 13.975 -16.422 -17.968 448 HZ3 LYS 62 HZ3 LYS 62 14.357 -17.625 -19.094 449 H CYS 63 H CYS 63 8.976 -15.751 -14.815 450 HA CYS 63 HA CYS 63 6.792 -15.186 -15.146 451 HB2 CYS 63 HB2 CYS 63 7.630 -16.867 -17.257 452 HB3 CYS 63 HB3 CYS 63 5.989 -17.357 -16.850 453 H ASN 64 H ASN 64 7.364 -16.990 -12.931 454 HA ASN 64 HA ASN 64 5.272 -18.936 -12.784 455 HB2 ASN 64 HB2 ASN 64 7.172 -17.781 -10.747 456 HB3 ASN 64 HB3 ASN 64 5.933 -18.955 -10.314 457 HD21 ASN 64 HD21 ASN 64 7.492 -20.455 -9.695 458 HD22 ASN 64 HD22 ASN 64 8.432 -21.327 -10.854 Start of MODEL 9 1 H1 VAL 1 H VAL 1 1.592 0.480 0.714 2 HA VAL 1 HA VAL 1 1.504 -0.654 -2.007 3 HB VAL 1 HB VAL 1 2.925 1.410 -2.599 4 HG11 VAL 1 HG11 VAL 1 0.970 2.692 -3.133 5 HG12 VAL 1 HG12 VAL 1 0.575 0.981 -3.303 6 HG13 VAL 1 HG13 VAL 1 0.035 1.874 -1.881 7 HG21 VAL 1 HG21 VAL 1 1.546 2.583 -0.198 8 HG22 VAL 1 HG22 VAL 1 3.212 2.007 -0.148 9 HG23 VAL 1 HG23 VAL 1 2.767 3.325 -1.232 10 H ARG 2 H ARG 2 3.784 -0.499 -3.052 11 HA ARG 2 HA ARG 2 6.042 -0.735 -1.322 12 HB2 ARG 2 HB2 ARG 2 6.522 -3.130 -1.883 13 HB3 ARG 2 HB3 ARG 2 5.153 -2.896 -0.805 14 HG2 ARG 2 HG2 ARG 2 3.662 -3.686 -2.302 15 HG3 ARG 2 HG3 ARG 2 4.532 -3.017 -3.684 16 HD2 ARG 2 HD2 ARG 2 5.952 -4.831 -3.836 17 HD3 ARG 2 HD3 ARG 2 5.726 -5.279 -2.146 18 HE ARG 2 HE ARG 2 4.216 -6.205 -4.361 19 HH11 ARG 2 HH11 ARG 2 3.935 -5.309 -1.009 20 HH12 ARG 2 HH12 ARG 2 2.569 -6.334 -0.715 21 HH21 ARG 2 HH21 ARG 2 2.418 -7.558 -3.987 22 HH22 ARG 2 HH22 ARG 2 1.708 -7.613 -2.409 23 H ASP 3 H ASP 3 7.986 -0.737 -2.442 24 HA ASP 3 HA ASP 3 7.746 -0.090 -5.277 25 HB2 ASP 3 HB2 ASP 3 10.364 0.033 -3.858 26 HB3 ASP 3 HB3 ASP 3 9.689 1.119 -5.070 27 H GLY 4 H GLY 4 8.741 -1.206 -6.912 28 HA2 GLY 4 HA2 GLY 4 10.764 -3.026 -6.852 29 HA3 GLY 4 HA3 GLY 4 9.360 -3.966 -6.371 30 H TYR 5 H TYR 5 10.302 -5.006 -8.472 31 HA TYR 5 HA TYR 5 9.595 -3.738 -10.939 32 HB2 TYR 5 HB2 TYR 5 10.300 -6.622 -10.355 33 HB3 TYR 5 HB3 TYR 5 10.180 -5.908 -11.959 34 HD1 TYR 5 HD1 TYR 5 12.587 -7.283 -10.476 35 HD2 TYR 5 HD2 TYR 5 11.495 -3.237 -11.208 36 HE1 TYR 5 HE1 TYR 5 14.955 -6.629 -10.357 37 HE2 TYR 5 HE2 TYR 5 13.860 -2.572 -11.092 38 HH TYR 5 HH TYR 5 16.148 -3.830 -11.497 39 H ILE 6 H ILE 6 7.708 -3.754 -11.972 40 HA ILE 6 HA ILE 6 5.433 -5.045 -10.772 41 HB ILE 6 HB ILE 6 4.094 -3.789 -12.178 42 HG12 ILE 6 HG12 ILE 6 6.415 -3.732 -14.115 43 HG13 ILE 6 HG13 ILE 6 4.890 -4.590 -14.308 44 HG21 ILE 6 HG21 ILE 6 4.740 -1.709 -11.642 45 HG22 ILE 6 HG22 ILE 6 6.115 -2.508 -10.880 46 HG23 ILE 6 HG23 ILE 6 6.268 -1.854 -12.511 47 HD11 ILE 6 HD11 ILE 6 5.555 -2.003 -15.177 48 HD12 ILE 6 HD12 ILE 6 4.003 -2.831 -15.301 49 HD13 ILE 6 HD13 ILE 6 4.354 -1.822 -13.898 50 H ALA 7 H ALA 7 4.106 -6.614 -11.711 51 HA ALA 7 HA ALA 7 5.373 -8.170 -13.872 52 HB1 ALA 7 HB1 ALA 7 5.492 -9.410 -11.822 53 HB2 ALA 7 HB2 ALA 7 3.775 -9.149 -11.511 54 HB3 ALA 7 HB3 ALA 7 4.283 -10.163 -12.862 55 H ASP 8 H ASP 8 3.908 -9.378 -15.259 56 HA ASP 8 HA ASP 8 1.471 -7.848 -15.780 57 HB2 ASP 8 HB2 ASP 8 1.484 -9.030 -17.969 58 HB3 ASP 8 HB3 ASP 8 2.955 -8.107 -17.674 59 H ASP 9 H ASP 9 -0.084 -9.615 -17.122 60 HA ASP 9 HA ASP 9 -1.469 -10.944 -15.102 61 HB2 ASP 9 HB2 ASP 9 -2.123 -10.277 -17.584 62 HB3 ASP 9 HB3 ASP 9 -1.675 -11.950 -17.905 63 H LYS 10 H LYS 10 1.300 -11.906 -16.889 64 HA LYS 10 HA LYS 10 0.979 -14.706 -16.074 65 HB2 LYS 10 HB2 LYS 10 3.022 -13.475 -17.932 66 HB3 LYS 10 HB3 LYS 10 2.806 -15.192 -17.623 67 HG2 LYS 10 HG2 LYS 10 0.340 -13.956 -18.482 68 HG3 LYS 10 HG3 LYS 10 1.641 -13.702 -19.648 69 HD2 LYS 10 HD2 LYS 10 1.114 -15.743 -20.407 70 HD3 LYS 10 HD3 LYS 10 1.958 -16.341 -18.977 71 HE2 LYS 10 HE2 LYS 10 -0.942 -15.609 -18.843 72 HE3 LYS 10 HE3 LYS 10 -0.444 -17.176 -19.478 73 HZ1 LYS 10 HZ1 LYS 10 0.893 -16.616 -17.043 74 HZ2 LYS 10 HZ2 LYS 10 -0.780 -16.483 -16.829 75 HZ3 LYS 10 HZ3 LYS 10 -0.115 -17.918 -17.431 76 H ASN 11 H ASN 11 1.725 -12.404 -14.307 77 HA ASN 11 HA ASN 11 3.212 -11.883 -12.658 78 HB2 ASN 11 HB2 ASN 11 2.449 -14.266 -12.103 79 HB3 ASN 11 HB3 ASN 11 4.008 -14.790 -12.733 80 HD21 ASN 11 HD21 ASN 11 5.706 -14.764 -11.422 81 HD22 ASN 11 HD22 ASN 11 5.748 -14.038 -9.855 82 H CYS 12 H CYS 12 4.172 -11.802 -15.456 83 HA CYS 12 HA CYS 12 7.020 -12.404 -15.124 84 HB2 CYS 12 HB2 CYS 12 5.410 -11.632 -17.565 85 HB3 CYS 12 HB3 CYS 12 7.152 -11.892 -17.569 86 H ALA 13 H ALA 13 8.568 -10.860 -15.041 87 HA ALA 13 HA ALA 13 7.904 -8.259 -14.225 88 HB1 ALA 13 HB1 ALA 13 10.353 -9.757 -14.775 89 HB2 ALA 13 HB2 ALA 13 10.494 -8.024 -15.067 90 HB3 ALA 13 HB3 ALA 13 9.986 -8.613 -13.484 91 H TYR 14 H TYR 14 7.763 -6.332 -15.269 92 HA TYR 14 HA TYR 14 7.134 -6.324 -18.024 93 HB2 TYR 14 HB2 TYR 14 7.353 -4.305 -15.869 94 HB3 TYR 14 HB3 TYR 14 7.525 -3.700 -17.512 95 HD1 TYR 14 HD1 TYR 14 5.546 -2.559 -17.956 96 HD2 TYR 14 HD2 TYR 14 5.352 -6.429 -16.200 97 HE1 TYR 14 HE1 TYR 14 3.100 -2.545 -18.210 98 HE2 TYR 14 HE2 TYR 14 2.906 -6.427 -16.450 99 HH TYR 14 HH TYR 14 1.260 -4.570 -18.415 100 H PHE 15 H PHE 15 8.851 -7.096 -19.227 101 HA PHE 15 HA PHE 15 11.508 -6.117 -18.984 102 HB2 PHE 15 HB2 PHE 15 10.371 -7.389 -21.466 103 HB3 PHE 15 HB3 PHE 15 12.022 -7.461 -20.859 104 HD1 PHE 15 HD1 PHE 15 9.501 -9.512 -21.501 105 HD2 PHE 15 HD2 PHE 15 11.764 -8.260 -18.120 106 HE1 PHE 15 HE1 PHE 15 8.986 -11.638 -20.373 107 HE2 PHE 15 HE2 PHE 15 11.254 -10.384 -16.988 108 HZ PHE 15 HZ PHE 15 9.864 -12.076 -18.114 109 H CYS 16 H CYS 16 11.091 -3.815 -18.991 110 HA CYS 16 HA CYS 16 10.217 -2.615 -21.486 111 HB2 CYS 16 HB2 CYS 16 10.440 -0.486 -20.307 112 HB3 CYS 16 HB3 CYS 16 9.513 -1.630 -19.342 113 H GLY 17 H GLY 17 11.629 -0.554 -22.084 114 HA2 GLY 17 HA2 GLY 17 14.485 -1.179 -21.971 115 HA3 GLY 17 HA3 GLY 17 13.732 -1.140 -23.558 116 H ARG 18 H ARG 18 12.351 1.030 -21.340 117 HA ARG 18 HA ARG 18 14.154 3.218 -21.930 118 HB2 ARG 18 HB2 ARG 18 11.572 2.839 -23.319 119 HB3 ARG 18 HB3 ARG 18 11.871 4.454 -22.694 120 HG2 ARG 18 HG2 ARG 18 14.212 4.050 -23.894 121 HG3 ARG 18 HG3 ARG 18 13.209 2.986 -24.883 122 HD2 ARG 18 HD2 ARG 18 11.884 4.731 -25.641 123 HD3 ARG 18 HD3 ARG 18 12.309 5.774 -24.285 124 HE ARG 18 HE ARG 18 14.107 6.521 -25.480 125 HH11 ARG 18 HH11 ARG 18 12.973 3.547 -26.890 126 HH12 ARG 18 HH12 ARG 18 14.034 3.638 -28.257 127 HH21 ARG 18 HH21 ARG 18 15.509 6.652 -27.275 128 HH22 ARG 18 HH22 ARG 18 15.476 5.404 -28.474 129 H ASN 19 H ASN 19 14.082 4.786 -20.403 130 HA ASN 19 HA ASN 19 12.823 4.295 -17.954 131 HB2 ASN 19 HB2 ASN 19 14.857 5.725 -18.316 132 HB3 ASN 19 HB3 ASN 19 13.795 6.981 -18.946 133 HD21 ASN 19 HD21 ASN 19 15.567 6.786 -16.540 134 HD22 ASN 19 HD22 ASN 19 14.552 7.234 -15.216 135 H ALA 20 H ALA 20 12.088 6.868 -20.317 136 HA ALA 20 HA ALA 20 9.857 7.947 -19.151 137 HB1 ALA 20 HB1 ALA 20 11.071 8.599 -21.327 138 HB2 ALA 20 HB2 ALA 20 9.935 7.502 -22.113 139 HB3 ALA 20 HB3 ALA 20 9.336 8.895 -21.211 140 H TYR 21 H TYR 21 9.964 5.150 -21.343 141 HA TYR 21 HA TYR 21 7.257 4.632 -21.550 142 HB2 TYR 21 HB2 TYR 21 8.670 3.358 -22.930 143 HB3 TYR 21 HB3 TYR 21 9.663 2.826 -21.577 144 HD1 TYR 21 HD1 TYR 21 9.047 0.916 -20.264 145 HD2 TYR 21 HD2 TYR 21 6.458 2.342 -23.324 146 HE1 TYR 21 HE1 TYR 21 7.733 -1.158 -20.111 147 HE2 TYR 21 HE2 TYR 21 5.136 0.273 -23.179 148 HH TYR 21 HH TYR 21 5.023 -1.674 -20.801 149 H CYS 22 H CYS 22 9.525 3.253 -19.169 150 HA CYS 22 HA CYS 22 7.658 1.800 -17.695 151 HB2 CYS 22 HB2 CYS 22 10.390 2.839 -17.228 152 HB3 CYS 22 HB3 CYS 22 9.459 2.458 -15.783 153 H ASP 23 H ASP 23 8.864 5.102 -17.159 154 HA ASP 23 HA ASP 23 7.528 5.752 -14.851 155 HB2 ASP 23 HB2 ASP 23 9.153 7.207 -16.092 156 HB3 ASP 23 HB3 ASP 23 7.854 7.615 -17.210 157 H GLU 24 H GLU 24 6.268 5.664 -18.140 158 HA GLU 24 HA GLU 24 3.754 6.837 -17.536 159 HB2 GLU 24 HB2 GLU 24 4.760 5.161 -19.824 160 HB3 GLU 24 HB3 GLU 24 3.082 5.677 -19.730 161 HG2 GLU 24 HG2 GLU 24 3.765 8.000 -19.737 162 HG3 GLU 24 HG3 GLU 24 5.461 7.521 -19.745 163 H GLU 25 H GLU 25 4.645 3.445 -18.199 164 HA GLU 25 HA GLU 25 2.171 2.321 -17.570 165 HB2 GLU 25 HB2 GLU 25 4.781 0.921 -17.039 166 HB3 GLU 25 HB3 GLU 25 3.254 0.227 -17.566 167 HG2 GLU 25 HG2 GLU 25 5.277 1.750 -19.147 168 HG3 GLU 25 HG3 GLU 25 4.558 0.175 -19.475 169 H CYS 26 H CYS 26 4.817 3.320 -15.518 170 HA CYS 26 HA CYS 26 4.039 1.962 -13.169 171 HB2 CYS 26 HB2 CYS 26 5.771 4.335 -13.755 172 HB3 CYS 26 HB3 CYS 26 5.350 3.961 -12.087 173 H LYS 27 H LYS 27 3.825 5.476 -13.718 174 HA LYS 27 HA LYS 27 2.033 6.022 -11.678 175 HB2 LYS 27 HB2 LYS 27 3.191 7.823 -12.741 176 HB3 LYS 27 HB3 LYS 27 2.502 7.424 -14.309 177 HG2 LYS 27 HG2 LYS 27 0.303 8.100 -13.544 178 HG3 LYS 27 HG3 LYS 27 0.948 8.437 -11.936 179 HD2 LYS 27 HD2 LYS 27 2.593 9.988 -13.289 180 HD3 LYS 27 HD3 LYS 27 1.293 9.946 -14.483 181 HE2 LYS 27 HE2 LYS 27 -0.283 10.660 -12.693 182 HE3 LYS 27 HE3 LYS 27 1.095 10.838 -11.609 183 HZ1 LYS 27 HZ1 LYS 27 1.462 12.843 -12.434 184 HZ2 LYS 27 HZ2 LYS 27 1.623 12.220 -13.999 185 HZ3 LYS 27 HZ3 LYS 27 0.102 12.696 -13.430 186 H LYS 28 H LYS 28 1.410 5.022 -14.997 187 HA LYS 28 HA LYS 28 -1.374 5.435 -15.005 188 HB2 LYS 28 HB2 LYS 28 0.443 3.627 -16.579 189 HB3 LYS 28 HB3 LYS 28 -1.298 3.608 -16.821 190 HG2 LYS 28 HG2 LYS 28 -0.295 6.305 -16.878 191 HG3 LYS 28 HG3 LYS 28 0.562 5.286 -18.037 192 HD2 LYS 28 HD2 LYS 28 -2.420 5.164 -17.871 193 HD3 LYS 28 HD3 LYS 28 -1.644 6.491 -18.738 194 HE2 LYS 28 HE2 LYS 28 -0.878 3.647 -19.285 195 HE3 LYS 28 HE3 LYS 28 -2.309 4.352 -20.035 196 HZ1 LYS 28 HZ1 LYS 28 0.492 4.848 -20.571 197 HZ2 LYS 28 HZ2 LYS 28 -0.848 4.981 -21.596 198 HZ3 LYS 28 HZ3 LYS 28 -0.476 6.235 -20.522 199 H LYS 29 H LYS 29 0.599 2.975 -13.595 200 HA LYS 29 HA LYS 29 -1.687 1.204 -13.168 201 HB2 LYS 29 HB2 LYS 29 1.267 0.924 -13.003 202 HB3 LYS 29 HB3 LYS 29 0.310 -0.072 -11.915 203 HG2 LYS 29 HG2 LYS 29 -1.011 -0.618 -14.129 204 HG3 LYS 29 HG3 LYS 29 0.519 -0.153 -14.875 205 HD2 LYS 29 HD2 LYS 29 1.482 -1.766 -12.996 206 HD3 LYS 29 HD3 LYS 29 -0.128 -2.476 -13.140 207 HE2 LYS 29 HE2 LYS 29 0.382 -2.388 -15.700 208 HE3 LYS 29 HE3 LYS 29 2.060 -2.294 -15.167 209 HZ1 LYS 29 HZ1 LYS 29 2.063 -4.429 -14.555 210 HZ2 LYS 29 HZ2 LYS 29 0.519 -4.357 -13.868 211 HZ3 LYS 29 HZ3 LYS 29 0.692 -4.580 -15.536 212 H GLY 30 H GLY 30 -1.302 3.877 -11.846 213 HA2 GLY 30 HA2 GLY 30 -2.159 4.581 -9.781 214 HA3 GLY 30 HA3 GLY 30 -1.927 2.955 -9.155 215 H ALA 31 H ALA 31 0.873 2.910 -10.165 216 HA ALA 31 HA ALA 31 2.244 3.544 -7.878 217 HB1 ALA 31 HB1 ALA 31 4.198 3.140 -9.042 218 HB2 ALA 31 HB2 ALA 31 3.002 2.302 -10.031 219 HB3 ALA 31 HB3 ALA 31 3.596 3.889 -10.522 220 H GLU 32 H GLU 32 3.953 5.229 -7.577 221 HA GLU 32 HA GLU 32 2.796 7.847 -8.133 222 HB2 GLU 32 HB2 GLU 32 3.627 7.020 -5.825 223 HB3 GLU 32 HB3 GLU 32 5.236 7.354 -6.450 224 HG2 GLU 32 HG2 GLU 32 4.506 9.688 -6.902 225 HG3 GLU 32 HG3 GLU 32 2.984 9.315 -6.093 226 H SER 33 H SER 33 5.616 5.925 -8.879 227 HA SER 33 HA SER 33 6.269 7.257 -11.214 228 HB2 SER 33 HB2 SER 33 7.140 8.688 -8.871 229 HB3 SER 33 HB3 SER 33 8.541 8.147 -9.795 230 HG SER 33 HG SER 33 7.494 9.099 -11.657 231 H GLY 34 H GLY 34 8.278 6.521 -12.170 232 HA2 GLY 34 HA2 GLY 34 10.013 4.717 -10.823 233 HA3 GLY 34 HA3 GLY 34 8.812 3.833 -11.753 234 H TYR 35 H TYR 35 10.764 3.041 -12.876 235 HA TYR 35 HA TYR 35 11.111 4.423 -15.342 236 HB2 TYR 35 HB2 TYR 35 13.677 4.532 -15.046 237 HB3 TYR 35 HB3 TYR 35 12.699 5.805 -14.323 238 HD1 TYR 35 HD1 TYR 35 13.549 2.347 -13.187 239 HD2 TYR 35 HD2 TYR 35 13.727 6.521 -12.382 240 HE1 TYR 35 HE1 TYR 35 14.565 1.875 -10.997 241 HE2 TYR 35 HE2 TYR 35 14.745 6.061 -10.191 242 HH TYR 35 HH TYR 35 14.663 3.189 -8.693 243 H CYS 36 H CYS 36 13.288 3.292 -16.404 244 HA CYS 36 HA CYS 36 12.609 0.452 -16.352 245 HB2 CYS 36 HB2 CYS 36 12.880 2.009 -18.471 246 HB3 CYS 36 HB3 CYS 36 14.583 1.608 -18.275 247 H GLN 37 H GLN 37 13.670 0.118 -14.279 248 HA GLN 37 HA GLN 37 16.482 0.498 -13.999 249 HB2 GLN 37 HB2 GLN 37 14.661 0.270 -12.163 250 HB3 GLN 37 HB3 GLN 37 14.889 -1.461 -12.374 251 HG2 GLN 37 HG2 GLN 37 17.368 -1.005 -11.982 252 HG3 GLN 37 HG3 GLN 37 16.856 0.579 -11.401 253 HE21 GLN 37 HE21 GLN 37 14.785 0.261 -9.897 254 HE22 GLN 37 HE22 GLN 37 15.045 -0.859 -8.608 255 H TRP 38 H TRP 38 17.530 -0.510 -15.697 256 HA TRP 38 HA TRP 38 17.052 -3.272 -16.333 257 HB2 TRP 38 HB2 TRP 38 19.031 -2.984 -17.839 258 HB3 TRP 38 HB3 TRP 38 17.748 -1.809 -18.112 259 HD1 TRP 38 HD1 TRP 38 20.909 -1.860 -15.837 260 HE1 TRP 38 HE1 TRP 38 22.083 0.418 -16.080 261 HE3 TRP 38 HE3 TRP 38 17.715 0.348 -19.163 262 HZ2 TRP 38 HZ2 TRP 38 21.704 2.831 -17.495 263 HZ3 TRP 38 HZ3 TRP 38 18.192 2.643 -19.910 264 HH2 TRP 38 HH2 TRP 38 20.146 3.858 -19.092 265 H ALA 39 H ALA 39 19.146 -4.692 -16.531 266 HA ALA 39 HA ALA 39 20.592 -6.023 -15.377 267 HB1 ALA 39 HB1 ALA 39 22.529 -4.993 -14.675 268 HB2 ALA 39 HB2 ALA 39 21.845 -3.764 -15.738 269 HB3 ALA 39 HB3 ALA 39 21.674 -3.611 -13.989 270 H GLY 40 H GLY 40 18.042 -5.691 -14.165 271 HA2 GLY 40 HA2 GLY 40 18.502 -5.362 -11.315 272 HA3 GLY 40 HA3 GLY 40 16.963 -5.698 -12.092 273 H GLN 41 H GLN 41 16.788 -7.201 -10.228 274 HA GLN 41 HA GLN 41 18.402 -9.417 -9.823 275 HB2 GLN 41 HB2 GLN 41 15.428 -9.650 -9.550 276 HB3 GLN 41 HB3 GLN 41 16.693 -10.283 -8.504 277 HG2 GLN 41 HG2 GLN 41 15.657 -7.478 -8.696 278 HG3 GLN 41 HG3 GLN 41 15.695 -8.548 -7.295 279 HE21 GLN 41 HE21 GLN 41 16.926 -5.822 -8.260 280 HE22 GLN 41 HE22 GLN 41 18.536 -5.915 -7.640 281 H TYR 42 H TYR 42 15.424 -9.256 -11.780 282 HA TYR 42 HA TYR 42 16.202 -11.764 -13.081 283 HB2 TYR 42 HB2 TYR 42 13.610 -10.465 -13.722 284 HB3 TYR 42 HB3 TYR 42 13.987 -12.167 -13.480 285 HD1 TYR 42 HD1 TYR 42 13.264 -8.985 -11.753 286 HD2 TYR 42 HD2 TYR 42 13.736 -13.194 -11.345 287 HE1 TYR 42 HE1 TYR 42 12.318 -8.866 -9.485 288 HE2 TYR 42 HE2 TYR 42 12.790 -13.086 -9.077 289 HH TYR 42 HH TYR 42 11.931 -9.990 -7.590 290 H GLY 43 H GLY 43 17.519 -9.214 -13.653 291 HA2 GLY 43 HA2 GLY 43 18.495 -8.487 -15.654 292 HA3 GLY 43 HA3 GLY 43 17.218 -9.301 -16.546 293 H ASN 44 H ASN 44 16.322 -7.783 -17.794 294 HA ASN 44 HA ASN 44 15.993 -5.070 -16.863 295 HB2 ASN 44 HB2 ASN 44 15.014 -6.342 -19.428 296 HB3 ASN 44 HB3 ASN 44 15.121 -4.617 -19.090 297 HD21 ASN 44 HD21 ASN 44 17.595 -4.537 -17.835 298 HD22 ASN 44 HD22 ASN 44 18.818 -4.921 -18.993 299 H ALA 45 H ALA 45 14.443 -4.767 -15.380 300 HA ALA 45 HA ALA 45 11.724 -5.651 -16.063 301 HB1 ALA 45 HB1 ALA 45 12.331 -7.209 -14.410 302 HB2 ALA 45 HB2 ALA 45 13.125 -5.980 -13.425 303 HB3 ALA 45 HB3 ALA 45 11.367 -5.995 -13.570 304 H CYS 46 H CYS 46 10.146 -4.169 -15.738 305 HA CYS 46 HA CYS 46 10.852 -1.457 -15.395 306 HB2 CYS 46 HB2 CYS 46 8.802 -2.530 -16.597 307 HB3 CYS 46 HB3 CYS 46 8.048 -2.456 -15.008 308 H TRP 47 H TRP 47 11.206 -0.338 -13.603 309 HA TRP 47 HA TRP 47 10.340 -1.472 -11.040 310 HB2 TRP 47 HB2 TRP 47 12.684 -1.092 -11.051 311 HB3 TRP 47 HB3 TRP 47 12.497 0.503 -11.774 312 HD1 TRP 47 HD1 TRP 47 11.585 2.480 -10.137 313 HE1 TRP 47 HE1 TRP 47 11.781 2.758 -7.586 314 HE3 TRP 47 HE3 TRP 47 12.745 -2.338 -8.881 315 HZ2 TRP 47 HZ2 TRP 47 12.353 1.149 -5.339 316 HZ3 TRP 47 HZ3 TRP 47 13.101 -2.885 -6.509 317 HH2 TRP 47 HH2 TRP 47 12.909 -1.176 -4.776 318 H CYS 48 H CYS 48 8.974 -0.423 -9.694 319 HA CYS 48 HA CYS 48 8.139 2.301 -10.418 320 HB2 CYS 48 HB2 CYS 48 6.340 -0.040 -9.773 321 HB3 CYS 48 HB3 CYS 48 5.790 1.632 -9.807 322 H TYR 49 H TYR 49 7.074 3.464 -8.653 323 HA TYR 49 HA TYR 49 8.138 2.613 -6.044 324 HB2 TYR 49 HB2 TYR 49 7.744 5.297 -7.309 325 HB3 TYR 49 HB3 TYR 49 7.708 5.161 -5.555 326 HD1 TYR 49 HD1 TYR 49 9.733 4.044 -4.424 327 HD2 TYR 49 HD2 TYR 49 9.782 5.469 -8.433 328 HE1 TYR 49 HE1 TYR 49 12.191 4.109 -4.364 329 HE2 TYR 49 HE2 TYR 49 12.240 5.538 -8.384 330 HH TYR 49 HH TYR 49 14.084 3.969 -6.324 331 H LYS 50 H LYS 50 6.840 2.579 -4.252 332 HA LYS 50 HA LYS 50 4.883 2.128 -3.152 333 HB2 LYS 50 HB2 LYS 50 4.036 4.710 -4.477 334 HB3 LYS 50 HB3 LYS 50 3.382 4.027 -2.995 335 HG2 LYS 50 HG2 LYS 50 6.259 4.395 -2.871 336 HG3 LYS 50 HG3 LYS 50 5.390 5.899 -3.183 337 HD2 LYS 50 HD2 LYS 50 5.420 5.820 -0.870 338 HD3 LYS 50 HD3 LYS 50 3.850 5.105 -1.245 339 HE2 LYS 50 HE2 LYS 50 4.587 3.522 0.201 340 HE3 LYS 50 HE3 LYS 50 5.331 2.886 -1.266 341 HZ1 LYS 50 HZ1 LYS 50 6.720 3.240 0.903 342 HZ2 LYS 50 HZ2 LYS 50 7.399 3.544 -0.616 343 HZ3 LYS 50 HZ3 LYS 50 6.837 4.828 0.331 344 H LEU 51 H LEU 51 4.779 0.425 -5.057 345 HA LEU 51 HA LEU 51 2.675 0.793 -6.957 346 HB2 LEU 51 HB2 LEU 51 4.412 -1.475 -6.108 347 HB3 LEU 51 HB3 LEU 51 2.962 -1.817 -7.050 348 HG LEU 51 HG LEU 51 5.269 -0.069 -7.905 349 HD11 LEU 51 HD11 LEU 51 6.131 -1.824 -9.001 350 HD12 LEU 51 HD12 LEU 51 5.199 -2.783 -7.851 351 HD13 LEU 51 HD13 LEU 51 4.546 -2.450 -9.455 352 HD21 LEU 51 HD21 LEU 51 3.198 0.775 -8.815 353 HD22 LEU 51 HD22 LEU 51 4.109 -0.040 -10.086 354 HD23 LEU 51 HD23 LEU 51 2.730 -0.843 -9.336 355 HA PRO 52 HA PRO 52 -0.821 -0.298 -4.525 356 HB2 PRO 52 HB2 PRO 52 -2.438 -1.307 -6.458 357 HB3 PRO 52 HB3 PRO 52 -2.100 0.420 -6.293 358 HG2 PRO 52 HG2 PRO 52 -0.880 -1.580 -8.157 359 HG3 PRO 52 HG3 PRO 52 -1.411 0.079 -8.488 360 HD2 PRO 52 HD2 PRO 52 1.188 -0.566 -8.087 361 HD3 PRO 52 HD3 PRO 52 0.509 1.003 -7.608 362 H ASP 53 H ASP 53 -1.440 -1.997 -3.318 363 HA ASP 53 HA ASP 53 -0.134 -4.421 -3.320 364 HB2 ASP 53 HB2 ASP 53 -1.819 -3.296 -1.611 365 HB3 ASP 53 HB3 ASP 53 -2.974 -4.366 -2.401 366 H LYS 54 H LYS 54 -2.854 -3.415 -5.231 367 HA LYS 54 HA LYS 54 -3.771 -5.987 -5.996 368 HB2 LYS 54 HB2 LYS 54 -4.943 -4.793 -7.810 369 HB3 LYS 54 HB3 LYS 54 -5.189 -4.031 -6.244 370 HG2 LYS 54 HG2 LYS 54 -4.202 -2.128 -6.878 371 HG3 LYS 54 HG3 LYS 54 -2.914 -2.968 -7.744 372 HD2 LYS 54 HD2 LYS 54 -5.733 -2.629 -8.767 373 HD3 LYS 54 HD3 LYS 54 -4.372 -1.599 -9.217 374 HE2 LYS 54 HE2 LYS 54 -3.390 -4.117 -9.671 375 HE3 LYS 54 HE3 LYS 54 -5.084 -4.284 -10.127 376 HZ1 LYS 54 HZ1 LYS 54 -4.677 -3.213 -12.005 377 HZ2 LYS 54 HZ2 LYS 54 -4.058 -1.876 -11.172 378 HZ3 LYS 54 HZ3 LYS 54 -3.032 -3.148 -11.612 379 H VAL 55 H VAL 55 -1.276 -3.848 -7.199 380 HA VAL 55 HA VAL 55 -0.806 -5.510 -9.542 381 HB VAL 55 HB VAL 55 0.480 -2.966 -8.561 382 HG11 VAL 55 HG11 VAL 55 1.398 -3.343 -11.118 383 HG12 VAL 55 HG12 VAL 55 2.325 -3.617 -9.643 384 HG13 VAL 55 HG13 VAL 55 1.498 -4.963 -10.428 385 HG21 VAL 55 HG21 VAL 55 -1.013 -3.500 -11.121 386 HG22 VAL 55 HG22 VAL 55 -1.793 -2.918 -9.650 387 HG23 VAL 55 HG23 VAL 55 -0.554 -1.941 -10.437 388 HA PRO 56 HA PRO 56 2.023 -7.934 -7.016 389 HB2 PRO 56 HB2 PRO 56 2.377 -9.877 -8.879 390 HB3 PRO 56 HB3 PRO 56 0.958 -9.801 -7.828 391 HG2 PRO 56 HG2 PRO 56 1.262 -8.900 -10.667 392 HG3 PRO 56 HG3 PRO 56 -0.078 -9.780 -9.910 393 HD2 PRO 56 HD2 PRO 56 -0.167 -7.115 -10.382 394 HD3 PRO 56 HD3 PRO 56 -0.984 -7.867 -8.997 395 H ILE 57 H ILE 57 4.238 -8.746 -7.349 396 HA ILE 57 HA ILE 57 5.675 -7.230 -9.429 397 HB ILE 57 HB ILE 57 7.574 -7.032 -7.857 398 HG12 ILE 57 HG12 ILE 57 5.878 -7.593 -5.505 399 HG13 ILE 57 HG13 ILE 57 6.363 -9.007 -6.435 400 HG21 ILE 57 HG21 ILE 57 6.796 -5.041 -7.219 401 HG22 ILE 57 HG22 ILE 57 5.275 -5.519 -7.974 402 HG23 ILE 57 HG23 ILE 57 5.516 -5.762 -6.244 403 HD11 ILE 57 HD11 ILE 57 8.437 -8.925 -5.649 404 HD12 ILE 57 HD12 ILE 57 8.569 -7.191 -5.939 405 HD13 ILE 57 HD13 ILE 57 7.819 -7.782 -4.457 406 H LYS 58 H LYS 58 7.750 -8.148 -10.070 407 HA LYS 58 HA LYS 58 7.561 -10.897 -10.664 408 HB2 LYS 58 HB2 LYS 58 8.777 -9.376 -12.113 409 HB3 LYS 58 HB3 LYS 58 9.919 -9.011 -10.826 410 HG2 LYS 58 HG2 LYS 58 10.952 -10.522 -12.359 411 HG3 LYS 58 HG3 LYS 58 10.630 -11.388 -10.854 412 HD2 LYS 58 HD2 LYS 58 8.358 -11.929 -12.173 413 HD3 LYS 58 HD3 LYS 58 9.452 -11.742 -13.545 414 HE2 LYS 58 HE2 LYS 58 10.975 -13.386 -12.523 415 HE3 LYS 58 HE3 LYS 58 9.834 -13.596 -11.196 416 HZ1 LYS 58 HZ1 LYS 58 8.709 -13.938 -13.840 417 HZ2 LYS 58 HZ2 LYS 58 9.863 -15.098 -13.409 418 HZ3 LYS 58 HZ3 LYS 58 8.494 -14.866 -12.442 419 H VAL 59 H VAL 59 8.421 -12.682 -9.735 420 HA VAL 59 HA VAL 59 10.328 -12.402 -7.546 421 HB VAL 59 HB VAL 59 8.980 -13.955 -6.113 422 HG11 VAL 59 HG11 VAL 59 7.255 -11.582 -6.431 423 HG12 VAL 59 HG12 VAL 59 8.081 -12.204 -5.003 424 HG13 VAL 59 HG13 VAL 59 8.975 -11.269 -6.201 425 HG21 VAL 59 HG21 VAL 59 7.127 -14.893 -6.899 426 HG22 VAL 59 HG22 VAL 59 6.400 -13.302 -7.119 427 HG23 VAL 59 HG23 VAL 59 7.339 -14.030 -8.422 428 H SER 60 H SER 60 11.597 -14.210 -7.200 429 HA SER 60 HA SER 60 12.183 -15.858 -9.325 430 HB2 SER 60 HB2 SER 60 13.104 -17.405 -7.364 431 HB3 SER 60 HB3 SER 60 13.875 -15.871 -7.768 432 HG SER 60 HG SER 60 13.249 -15.074 -5.919 433 H GLY 61 H GLY 61 11.587 -17.874 -10.009 434 HA2 GLY 61 HA2 GLY 61 10.366 -19.943 -8.848 435 HA3 GLY 61 HA3 GLY 61 9.018 -18.830 -9.030 436 H LYS 62 H LYS 62 8.061 -18.583 -10.994 437 HA LYS 62 HA LYS 62 9.233 -19.266 -13.465 438 HB2 LYS 62 HB2 LYS 62 7.738 -21.276 -13.922 439 HB3 LYS 62 HB3 LYS 62 9.120 -21.548 -12.869 440 HG2 LYS 62 HG2 LYS 62 7.775 -21.644 -10.947 441 HG3 LYS 62 HG3 LYS 62 6.387 -20.948 -11.786 442 HD2 LYS 62 HD2 LYS 62 6.095 -22.939 -13.087 443 HD3 LYS 62 HD3 LYS 62 7.607 -23.618 -12.479 444 HE2 LYS 62 HE2 LYS 62 6.617 -23.581 -10.191 445 HE3 LYS 62 HE3 LYS 62 5.088 -23.080 -10.911 446 HZ1 LYS 62 HZ1 LYS 62 4.631 -25.193 -11.310 447 HZ2 LYS 62 HZ2 LYS 62 6.003 -25.333 -12.290 448 HZ3 LYS 62 HZ3 LYS 62 6.106 -25.673 -10.636 449 H CYS 63 H CYS 63 8.201 -18.041 -14.889 450 HA CYS 63 HA CYS 63 5.956 -16.524 -14.371 451 HB2 CYS 63 HB2 CYS 63 7.458 -17.292 -16.800 452 HB3 CYS 63 HB3 CYS 63 5.816 -16.718 -17.070 453 H ASN 64 H ASN 64 3.775 -16.670 -14.904 454 HA ASN 64 HA ASN 64 2.670 -19.306 -14.786 455 HB2 ASN 64 HB2 ASN 64 1.421 -16.570 -15.067 456 HB3 ASN 64 HB3 ASN 64 0.472 -18.052 -14.996 457 HD21 ASN 64 HD21 ASN 64 0.267 -15.949 -13.160 458 HD22 ASN 64 HD22 ASN 64 0.781 -16.526 -11.614 Start of MODEL 10 1 H1 VAL 1 H VAL 1 1.935 -0.068 0.872 2 HA VAL 1 HA VAL 1 1.742 -0.593 -1.916 3 HB VAL 1 HB VAL 1 3.075 1.530 -2.543 4 HG11 VAL 1 HG11 VAL 1 1.059 2.685 -3.150 5 HG12 VAL 1 HG12 VAL 1 0.777 0.950 -3.296 6 HG13 VAL 1 HG13 VAL 1 0.144 1.833 -1.907 7 HG21 VAL 1 HG21 VAL 1 1.554 2.734 -0.254 8 HG22 VAL 1 HG22 VAL 1 3.217 2.180 -0.065 9 HG23 VAL 1 HG23 VAL 1 2.838 3.449 -1.229 10 H ARG 2 H ARG 2 4.002 -0.396 -2.961 11 HA ARG 2 HA ARG 2 6.267 -0.459 -1.216 12 HB2 ARG 2 HB2 ARG 2 6.866 -2.788 -1.479 13 HB3 ARG 2 HB3 ARG 2 5.268 -2.679 -0.753 14 HG2 ARG 2 HG2 ARG 2 4.252 -3.645 -2.515 15 HG3 ARG 2 HG3 ARG 2 5.329 -2.888 -3.689 16 HD2 ARG 2 HD2 ARG 2 5.969 -5.251 -1.928 17 HD3 ARG 2 HD3 ARG 2 5.659 -5.293 -3.663 18 HE ARG 2 HE ARG 2 7.733 -3.612 -3.526 19 HH11 ARG 2 HH11 ARG 2 7.186 -6.719 -2.055 20 HH12 ARG 2 HH12 ARG 2 8.865 -7.150 -2.034 21 HH21 ARG 2 HH21 ARG 2 9.945 -4.168 -3.504 22 HH22 ARG 2 HH22 ARG 2 10.433 -5.698 -2.858 23 H ASP 3 H ASP 3 8.255 -0.607 -2.347 24 HA ASP 3 HA ASP 3 8.003 0.107 -5.167 25 HB2 ASP 3 HB2 ASP 3 10.605 0.130 -3.682 26 HB3 ASP 3 HB3 ASP 3 10.056 1.179 -4.985 27 H GLY 4 H GLY 4 8.879 -1.043 -6.830 28 HA2 GLY 4 HA2 GLY 4 10.862 -2.946 -6.779 29 HA3 GLY 4 HA3 GLY 4 9.393 -3.820 -6.374 30 H TYR 5 H TYR 5 10.288 -4.863 -8.470 31 HA TYR 5 HA TYR 5 9.604 -3.429 -10.891 32 HB2 TYR 5 HB2 TYR 5 10.573 -6.263 -10.463 33 HB3 TYR 5 HB3 TYR 5 10.349 -5.501 -12.034 34 HD1 TYR 5 HD1 TYR 5 11.704 -3.346 -12.484 35 HD2 TYR 5 HD2 TYR 5 12.621 -6.094 -9.368 36 HE1 TYR 5 HE1 TYR 5 13.996 -2.460 -12.386 37 HE2 TYR 5 HE2 TYR 5 14.916 -5.214 -9.260 38 HH TYR 5 HH TYR 5 16.427 -3.888 -10.247 39 H ILE 6 H ILE 6 7.737 -3.558 -11.959 40 HA ILE 6 HA ILE 6 5.542 -5.015 -10.838 41 HB ILE 6 HB ILE 6 4.164 -3.940 -12.396 42 HG12 ILE 6 HG12 ILE 6 6.640 -3.524 -14.084 43 HG13 ILE 6 HG13 ILE 6 5.291 -4.596 -14.442 44 HG21 ILE 6 HG21 ILE 6 6.071 -1.742 -12.498 45 HG22 ILE 6 HG22 ILE 6 4.507 -1.850 -11.690 46 HG23 ILE 6 HG23 ILE 6 5.952 -2.483 -10.902 47 HD11 ILE 6 HD11 ILE 6 5.614 -2.034 -15.361 48 HD12 ILE 6 HD12 ILE 6 4.111 -2.956 -15.364 49 HD13 ILE 6 HD13 ILE 6 4.460 -1.844 -14.041 50 H ALA 7 H ALA 7 4.242 -6.580 -11.943 51 HA ALA 7 HA ALA 7 5.729 -8.144 -13.951 52 HB1 ALA 7 HB1 ALA 7 5.847 -9.485 -12.056 53 HB2 ALA 7 HB2 ALA 7 4.218 -9.059 -11.532 54 HB3 ALA 7 HB3 ALA 7 4.449 -10.128 -12.916 55 H ASP 8 H ASP 8 4.365 -9.501 -15.344 56 HA ASP 8 HA ASP 8 1.923 -8.061 -16.069 57 HB2 ASP 8 HB2 ASP 8 2.094 -9.448 -18.178 58 HB3 ASP 8 HB3 ASP 8 3.421 -8.322 -17.906 59 H ASP 9 H ASP 9 0.449 -9.884 -17.376 60 HA ASP 9 HA ASP 9 -0.947 -11.205 -15.347 61 HB2 ASP 9 HB2 ASP 9 -1.746 -10.532 -17.698 62 HB3 ASP 9 HB3 ASP 9 -1.044 -12.057 -18.234 63 H LYS 10 H LYS 10 1.853 -12.132 -17.093 64 HA LYS 10 HA LYS 10 1.552 -14.942 -16.308 65 HB2 LYS 10 HB2 LYS 10 3.652 -13.671 -18.073 66 HB3 LYS 10 HB3 LYS 10 3.417 -15.394 -17.809 67 HG2 LYS 10 HG2 LYS 10 0.945 -14.550 -18.677 68 HG3 LYS 10 HG3 LYS 10 2.069 -13.585 -19.637 69 HD2 LYS 10 HD2 LYS 10 3.291 -15.807 -20.062 70 HD3 LYS 10 HD3 LYS 10 1.812 -16.572 -19.476 71 HE2 LYS 10 HE2 LYS 10 0.521 -15.493 -21.206 72 HE3 LYS 10 HE3 LYS 10 1.933 -14.582 -21.739 73 HZ1 LYS 10 HZ1 LYS 10 2.728 -16.326 -22.874 74 HZ2 LYS 10 HZ2 LYS 10 2.282 -17.453 -21.694 75 HZ3 LYS 10 HZ3 LYS 10 1.138 -16.903 -22.812 76 H ASN 11 H ASN 11 2.221 -12.631 -14.505 77 HA ASN 11 HA ASN 11 3.617 -12.142 -12.774 78 HB2 ASN 11 HB2 ASN 11 2.947 -14.510 -12.236 79 HB3 ASN 11 HB3 ASN 11 4.452 -15.039 -12.983 80 HD21 ASN 11 HD21 ASN 11 6.054 -15.367 -11.636 81 HD22 ASN 11 HD22 ASN 11 6.276 -14.599 -10.104 82 H CYS 12 H CYS 12 4.645 -11.959 -15.563 83 HA CYS 12 HA CYS 12 7.513 -12.392 -15.134 84 HB2 CYS 12 HB2 CYS 12 5.764 -12.176 -17.521 85 HB3 CYS 12 HB3 CYS 12 7.390 -11.520 -17.678 86 H ALA 13 H ALA 13 8.966 -10.749 -15.047 87 HA ALA 13 HA ALA 13 8.109 -8.193 -14.258 88 HB1 ALA 13 HB1 ALA 13 10.780 -8.042 -15.227 89 HB2 ALA 13 HB2 ALA 13 10.211 -8.098 -13.558 90 HB3 ALA 13 HB3 ALA 13 10.563 -9.596 -14.421 91 H TYR 14 H TYR 14 7.987 -6.246 -15.308 92 HA TYR 14 HA TYR 14 7.373 -6.288 -18.073 93 HB2 TYR 14 HB2 TYR 14 7.498 -4.243 -15.934 94 HB3 TYR 14 HB3 TYR 14 7.667 -3.650 -17.582 95 HD1 TYR 14 HD1 TYR 14 5.582 -6.459 -16.307 96 HD2 TYR 14 HD2 TYR 14 5.649 -2.563 -18.016 97 HE1 TYR 14 HE1 TYR 14 3.139 -6.544 -16.582 98 HE2 TYR 14 HE2 TYR 14 3.206 -2.637 -18.294 99 HH TYR 14 HH TYR 14 1.421 -4.254 -18.457 100 H PHE 15 H PHE 15 9.057 -6.914 -19.350 101 HA PHE 15 HA PHE 15 11.711 -5.922 -19.053 102 HB2 PHE 15 HB2 PHE 15 10.572 -7.147 -21.562 103 HB3 PHE 15 HB3 PHE 15 12.239 -7.178 -20.997 104 HD1 PHE 15 HD1 PHE 15 11.936 -7.995 -18.209 105 HD2 PHE 15 HD2 PHE 15 9.919 -9.360 -21.700 106 HE1 PHE 15 HE1 PHE 15 11.528 -10.164 -17.121 107 HE2 PHE 15 HE2 PHE 15 9.507 -11.530 -20.618 108 HZ PHE 15 HZ PHE 15 10.311 -11.935 -18.325 109 H CYS 16 H CYS 16 10.854 -3.617 -18.949 110 HA CYS 16 HA CYS 16 10.053 -2.347 -21.375 111 HB2 CYS 16 HB2 CYS 16 10.327 -0.257 -20.140 112 HB3 CYS 16 HB3 CYS 16 9.465 -1.441 -19.162 113 H GLY 17 H GLY 17 11.430 -0.237 -21.946 114 HA2 GLY 17 HA2 GLY 17 14.289 -0.781 -21.975 115 HA3 GLY 17 HA3 GLY 17 13.485 -0.834 -23.537 116 H ARG 18 H ARG 18 12.177 1.359 -21.255 117 HA ARG 18 HA ARG 18 13.829 3.592 -22.054 118 HB2 ARG 18 HB2 ARG 18 11.200 3.055 -23.278 119 HB3 ARG 18 HB3 ARG 18 11.421 4.694 -22.682 120 HG2 ARG 18 HG2 ARG 18 13.728 4.398 -24.007 121 HG3 ARG 18 HG3 ARG 18 12.705 3.308 -24.945 122 HD2 ARG 18 HD2 ARG 18 11.176 5.042 -25.461 123 HD3 ARG 18 HD3 ARG 18 11.897 6.126 -24.272 124 HE ARG 18 HE ARG 18 13.454 6.727 -25.832 125 HH11 ARG 18 HH11 ARG 18 11.961 3.742 -26.824 126 HH12 ARG 18 HH12 ARG 18 12.742 3.714 -28.370 127 HH21 ARG 18 HH21 ARG 18 14.488 6.701 -27.865 128 HH22 ARG 18 HH22 ARG 18 14.179 5.397 -28.961 129 H ASN 19 H ASN 19 13.775 5.228 -20.590 130 HA ASN 19 HA ASN 19 12.727 4.768 -18.038 131 HB2 ASN 19 HB2 ASN 19 13.183 7.317 -17.778 132 HB3 ASN 19 HB3 ASN 19 14.540 6.234 -18.077 133 HD21 ASN 19 HD21 ASN 19 15.690 6.417 -19.932 134 HD22 ASN 19 HD22 ASN 19 15.417 7.646 -21.116 135 H ALA 20 H ALA 20 11.688 7.219 -20.417 136 HA ALA 20 HA ALA 20 9.459 8.159 -19.088 137 HB1 ALA 20 HB1 ALA 20 10.534 8.967 -21.278 138 HB2 ALA 20 HB2 ALA 20 9.454 7.817 -22.066 139 HB3 ALA 20 HB3 ALA 20 8.788 9.130 -21.096 140 H TYR 21 H TYR 21 9.703 5.386 -21.284 141 HA TYR 21 HA TYR 21 7.032 4.707 -21.491 142 HB2 TYR 21 HB2 TYR 21 8.547 3.517 -22.852 143 HB3 TYR 21 HB3 TYR 21 9.531 3.027 -21.477 144 HD1 TYR 21 HD1 TYR 21 8.902 1.133 -20.108 145 HD2 TYR 21 HD2 TYR 21 6.458 2.363 -23.367 146 HE1 TYR 21 HE1 TYR 21 7.677 -0.996 -19.985 147 HE2 TYR 21 HE2 TYR 21 5.225 0.238 -23.252 148 HH TYR 21 HH TYR 21 4.873 -1.569 -21.056 149 H CYS 22 H CYS 22 9.373 3.508 -19.085 150 HA CYS 22 HA CYS 22 7.595 1.953 -17.600 151 HB2 CYS 22 HB2 CYS 22 10.258 3.155 -17.150 152 HB3 CYS 22 HB3 CYS 22 9.349 2.758 -15.695 153 H ASP 23 H ASP 23 8.634 5.312 -17.037 154 HA ASP 23 HA ASP 23 7.217 5.892 -14.763 155 HB2 ASP 23 HB2 ASP 23 8.802 7.412 -16.021 156 HB3 ASP 23 HB3 ASP 23 7.457 7.804 -17.089 157 H GLU 24 H GLU 24 6.025 5.673 -18.060 158 HA GLU 24 HA GLU 24 3.451 6.762 -17.524 159 HB2 GLU 24 HB2 GLU 24 4.446 6.669 -19.789 160 HB3 GLU 24 HB3 GLU 24 4.310 4.917 -19.760 161 HG2 GLU 24 HG2 GLU 24 1.951 5.003 -19.793 162 HG3 GLU 24 HG3 GLU 24 1.939 6.734 -19.458 163 H GLU 25 H GLU 25 4.462 3.404 -18.196 164 HA GLU 25 HA GLU 25 2.037 2.192 -17.561 165 HB2 GLU 25 HB2 GLU 25 4.692 0.882 -17.031 166 HB3 GLU 25 HB3 GLU 25 3.192 0.138 -17.565 167 HG2 GLU 25 HG2 GLU 25 5.169 1.733 -19.133 168 HG3 GLU 25 HG3 GLU 25 4.498 0.139 -19.472 169 H CYS 26 H CYS 26 4.637 3.290 -15.506 170 HA CYS 26 HA CYS 26 3.904 1.896 -13.159 171 HB2 CYS 26 HB2 CYS 26 5.570 4.315 -13.744 172 HB3 CYS 26 HB3 CYS 26 5.153 3.937 -12.076 173 H LYS 27 H LYS 27 3.582 5.401 -13.713 174 HA LYS 27 HA LYS 27 1.790 5.912 -11.670 175 HB2 LYS 27 HB2 LYS 27 2.475 7.275 -14.229 176 HB3 LYS 27 HB3 LYS 27 1.037 7.816 -13.373 177 HG2 LYS 27 HG2 LYS 27 2.498 8.073 -11.332 178 HG3 LYS 27 HG3 LYS 27 3.879 7.823 -12.402 179 HD2 LYS 27 HD2 LYS 27 2.732 9.715 -13.812 180 HD3 LYS 27 HD3 LYS 27 1.961 10.106 -12.273 181 HE2 LYS 27 HE2 LYS 27 3.968 10.657 -11.262 182 HE3 LYS 27 HE3 LYS 27 4.920 9.702 -12.397 183 HZ1 LYS 27 HZ1 LYS 27 5.333 11.646 -13.374 184 HZ2 LYS 27 HZ2 LYS 27 3.757 11.562 -13.982 185 HZ3 LYS 27 HZ3 LYS 27 4.074 12.441 -12.572 186 H LYS 28 H LYS 28 1.167 4.808 -14.953 187 HA LYS 28 HA LYS 28 -1.622 5.138 -14.967 188 HB2 LYS 28 HB2 LYS 28 0.247 3.319 -16.462 189 HB3 LYS 28 HB3 LYS 28 -1.494 3.212 -16.688 190 HG2 LYS 28 HG2 LYS 28 -0.510 5.938 -16.889 191 HG3 LYS 28 HG3 LYS 28 0.230 4.852 -18.067 192 HD2 LYS 28 HD2 LYS 28 -2.738 4.880 -17.633 193 HD3 LYS 28 HD3 LYS 28 -1.962 6.050 -18.703 194 HE2 LYS 28 HE2 LYS 28 -0.846 3.678 -19.503 195 HE3 LYS 28 HE3 LYS 28 -2.492 3.201 -19.093 196 HZ1 LYS 28 HZ1 LYS 28 -3.322 4.287 -20.844 197 HZ2 LYS 28 HZ2 LYS 28 -2.311 5.629 -20.641 198 HZ3 LYS 28 HZ3 LYS 28 -1.743 4.256 -21.450 199 H LYS 29 H LYS 29 0.420 2.750 -13.502 200 HA LYS 29 HA LYS 29 -1.839 0.981 -12.952 201 HB2 LYS 29 HB2 LYS 29 1.133 0.724 -12.511 202 HB3 LYS 29 HB3 LYS 29 -0.020 -0.433 -11.859 203 HG2 LYS 29 HG2 LYS 29 -0.375 0.091 -14.708 204 HG3 LYS 29 HG3 LYS 29 1.196 -0.602 -14.297 205 HD2 LYS 29 HD2 LYS 29 -0.480 -2.130 -12.792 206 HD3 LYS 29 HD3 LYS 29 -1.484 -1.801 -14.206 207 HE2 LYS 29 HE2 LYS 29 0.446 -2.545 -15.627 208 HE3 LYS 29 HE3 LYS 29 1.253 -3.062 -14.147 209 HZ1 LYS 29 HZ1 LYS 29 -0.339 -4.629 -15.613 210 HZ2 LYS 29 HZ2 LYS 29 -0.059 -4.853 -13.959 211 HZ3 LYS 29 HZ3 LYS 29 -1.451 -4.043 -14.480 212 H GLY 30 H GLY 30 -1.437 3.705 -11.737 213 HA2 GLY 30 HA2 GLY 30 -2.244 4.487 -9.682 214 HA3 GLY 30 HA3 GLY 30 -2.012 2.882 -9.005 215 H ALA 31 H ALA 31 0.778 2.837 -10.117 216 HA ALA 31 HA ALA 31 2.212 3.481 -7.875 217 HB1 ALA 31 HB1 ALA 31 2.930 2.248 -10.033 218 HB2 ALA 31 HB2 ALA 31 3.457 3.843 -10.572 219 HB3 ALA 31 HB3 ALA 31 4.143 3.135 -9.109 220 H GLU 32 H GLU 32 3.892 5.187 -7.596 221 HA GLU 32 HA GLU 32 2.698 7.794 -8.145 222 HB2 GLU 32 HB2 GLU 32 3.534 6.967 -5.832 223 HB3 GLU 32 HB3 GLU 32 5.136 7.340 -6.451 224 HG2 GLU 32 HG2 GLU 32 4.279 9.181 -5.143 225 HG3 GLU 32 HG3 GLU 32 4.452 9.654 -6.832 226 H SER 33 H SER 33 5.549 5.904 -8.864 227 HA SER 33 HA SER 33 6.197 7.290 -11.187 228 HB2 SER 33 HB2 SER 33 7.114 8.610 -8.793 229 HB3 SER 33 HB3 SER 33 8.493 8.082 -9.757 230 HG SER 33 HG SER 33 6.405 9.286 -11.134 231 H GLY 34 H GLY 34 8.156 6.524 -12.194 232 HA2 GLY 34 HA2 GLY 34 9.811 4.588 -10.881 233 HA3 GLY 34 HA3 GLY 34 8.637 3.836 -11.951 234 H TYR 35 H TYR 35 10.885 3.162 -12.810 235 HA TYR 35 HA TYR 35 11.341 4.708 -15.202 236 HB2 TYR 35 HB2 TYR 35 13.805 4.889 -14.809 237 HB3 TYR 35 HB3 TYR 35 12.837 5.901 -13.742 238 HD1 TYR 35 HD1 TYR 35 14.791 2.763 -13.919 239 HD2 TYR 35 HD2 TYR 35 12.927 5.631 -11.390 240 HE1 TYR 35 HE1 TYR 35 15.904 1.758 -11.969 241 HE2 TYR 35 HE2 TYR 35 14.035 4.635 -9.433 242 HH TYR 35 HH TYR 35 15.064 1.947 -9.073 243 H CYS 36 H CYS 36 13.453 3.619 -16.308 244 HA CYS 36 HA CYS 36 12.911 0.726 -16.242 245 HB2 CYS 36 HB2 CYS 36 12.491 2.185 -18.363 246 HB3 CYS 36 HB3 CYS 36 14.241 2.116 -18.546 247 H GLN 37 H GLN 37 14.435 -0.441 -15.295 248 HA GLN 37 HA GLN 37 17.246 0.328 -15.684 249 HB2 GLN 37 HB2 GLN 37 16.873 1.001 -13.467 250 HB3 GLN 37 HB3 GLN 37 15.842 -0.382 -13.125 251 HG2 GLN 37 HG2 GLN 37 17.717 -1.859 -13.090 252 HG3 GLN 37 HG3 GLN 37 18.793 -0.585 -13.663 253 HE21 GLN 37 HE21 GLN 37 17.381 -2.084 -10.967 254 HE22 GLN 37 HE22 GLN 37 18.003 -1.027 -9.751 255 H TRP 38 H TRP 38 18.277 -1.231 -16.723 256 HA TRP 38 HA TRP 38 17.200 -3.892 -16.889 257 HB2 TRP 38 HB2 TRP 38 19.395 -4.258 -18.215 258 HB3 TRP 38 HB3 TRP 38 18.173 -3.187 -18.893 259 HD1 TRP 38 HD1 TRP 38 21.542 -3.006 -17.010 260 HE1 TRP 38 HE1 TRP 38 22.675 -0.774 -17.611 261 HE3 TRP 38 HE3 TRP 38 17.798 -0.919 -19.797 262 HZ2 TRP 38 HZ2 TRP 38 22.062 1.562 -19.073 263 HZ3 TRP 38 HZ3 TRP 38 18.151 1.317 -20.761 264 HH2 TRP 38 HH2 TRP 38 20.240 2.530 -20.405 265 H ALA 39 H ALA 39 17.426 -3.991 -14.410 266 HA ALA 39 HA ALA 39 19.774 -5.609 -13.849 267 HB1 ALA 39 HB1 ALA 39 20.597 -4.393 -12.047 268 HB2 ALA 39 HB2 ALA 39 20.225 -3.146 -13.238 269 HB3 ALA 39 HB3 ALA 39 19.122 -3.437 -11.893 270 H GLY 40 H GLY 40 19.591 -6.686 -11.683 271 HA2 GLY 40 HA2 GLY 40 18.075 -7.207 -9.814 272 HA3 GLY 40 HA3 GLY 40 16.751 -7.078 -10.963 273 H GLN 41 H GLN 41 17.094 -9.314 -9.350 274 HA GLN 41 HA GLN 41 18.547 -11.429 -10.377 275 HB2 GLN 41 HB2 GLN 41 17.443 -11.665 -8.269 276 HB3 GLN 41 HB3 GLN 41 15.866 -11.392 -8.996 277 HG2 GLN 41 HG2 GLN 41 16.421 -13.770 -8.382 278 HG3 GLN 41 HG3 GLN 41 15.856 -13.499 -10.030 279 HE21 GLN 41 HE21 GLN 41 16.809 -15.282 -10.914 280 HE22 GLN 41 HE22 GLN 41 18.519 -15.473 -11.062 281 H TYR 42 H TYR 42 15.656 -9.950 -11.594 282 HA TYR 42 HA TYR 42 15.324 -12.099 -13.568 283 HB2 TYR 42 HB2 TYR 42 13.338 -9.987 -13.702 284 HB3 TYR 42 HB3 TYR 42 13.118 -11.716 -13.458 285 HD1 TYR 42 HD1 TYR 42 13.270 -12.651 -11.135 286 HD2 TYR 42 HD2 TYR 42 13.174 -8.466 -11.896 287 HE1 TYR 42 HE1 TYR 42 12.643 -12.245 -8.791 288 HE2 TYR 42 HE2 TYR 42 12.548 -8.049 -9.554 289 HH TYR 42 HH TYR 42 12.474 -10.640 -7.182 290 H GLY 43 H GLY 43 17.511 -10.225 -13.731 291 HA2 GLY 43 HA2 GLY 43 18.557 -8.858 -15.252 292 HA3 GLY 43 HA3 GLY 43 17.510 -9.629 -16.435 293 H ASN 44 H ASN 44 16.123 -8.371 -17.491 294 HA ASN 44 HA ASN 44 15.903 -5.586 -16.741 295 HB2 ASN 44 HB2 ASN 44 15.152 -7.219 -19.130 296 HB3 ASN 44 HB3 ASN 44 14.355 -5.667 -18.884 297 HD21 ASN 44 HD21 ASN 44 17.674 -6.705 -18.230 298 HD22 ASN 44 HD22 ASN 44 18.427 -5.525 -19.243 299 H ALA 45 H ALA 45 14.060 -4.516 -16.115 300 HA ALA 45 HA ALA 45 11.463 -5.602 -16.121 301 HB1 ALA 45 HB1 ALA 45 12.398 -7.121 -14.436 302 HB2 ALA 45 HB2 ALA 45 12.842 -5.734 -13.441 303 HB3 ALA 45 HB3 ALA 45 11.143 -6.082 -13.760 304 H CYS 46 H CYS 46 9.989 -4.029 -15.749 305 HA CYS 46 HA CYS 46 10.872 -1.350 -15.493 306 HB2 CYS 46 HB2 CYS 46 8.769 -2.222 -16.673 307 HB3 CYS 46 HB3 CYS 46 8.034 -2.273 -15.074 308 H TRP 47 H TRP 47 11.183 -0.120 -13.753 309 HA TRP 47 HA TRP 47 10.508 -1.243 -11.132 310 HB2 TRP 47 HB2 TRP 47 12.850 -0.631 -11.467 311 HB3 TRP 47 HB3 TRP 47 12.378 1.013 -11.886 312 HD1 TRP 47 HD1 TRP 47 11.794 2.666 -9.907 313 HE1 TRP 47 HE1 TRP 47 12.115 2.529 -7.357 314 HE3 TRP 47 HE3 TRP 47 12.817 -2.325 -9.485 315 HZ2 TRP 47 HZ2 TRP 47 12.722 0.565 -5.423 316 HZ3 TRP 47 HZ3 TRP 47 13.258 -3.254 -7.250 317 HH2 TRP 47 HH2 TRP 47 13.211 -1.837 -5.262 318 H CYS 48 H CYS 48 9.121 -0.284 -9.747 319 HA CYS 48 HA CYS 48 8.059 2.364 -10.452 320 HB2 CYS 48 HB2 CYS 48 6.480 -0.125 -9.802 321 HB3 CYS 48 HB3 CYS 48 5.790 1.492 -9.702 322 H TYR 49 H TYR 49 6.994 3.466 -8.658 323 HA TYR 49 HA TYR 49 8.132 2.648 -6.067 324 HB2 TYR 49 HB2 TYR 49 7.753 5.328 -7.343 325 HB3 TYR 49 HB3 TYR 49 7.729 5.204 -5.588 326 HD1 TYR 49 HD1 TYR 49 9.744 4.425 -4.376 327 HD2 TYR 49 HD2 TYR 49 9.791 5.122 -8.573 328 HE1 TYR 49 HE1 TYR 49 12.203 4.467 -4.335 329 HE2 TYR 49 HE2 TYR 49 12.250 5.166 -8.544 330 HH TYR 49 HH TYR 49 14.060 5.691 -6.749 331 H LYS 50 H LYS 50 6.867 2.762 -4.223 332 HA LYS 50 HA LYS 50 4.928 2.352 -3.077 333 HB2 LYS 50 HB2 LYS 50 4.028 4.826 -4.563 334 HB3 LYS 50 HB3 LYS 50 3.392 4.231 -3.035 335 HG2 LYS 50 HG2 LYS 50 6.267 4.664 -2.969 336 HG3 LYS 50 HG3 LYS 50 5.353 6.126 -3.344 337 HD2 LYS 50 HD2 LYS 50 5.470 6.130 -1.014 338 HD3 LYS 50 HD3 LYS 50 3.872 5.459 -1.348 339 HE2 LYS 50 HE2 LYS 50 4.535 3.866 0.105 340 HE3 LYS 50 HE3 LYS 50 5.337 3.199 -1.316 341 HZ1 LYS 50 HZ1 LYS 50 6.512 3.996 1.061 342 HZ2 LYS 50 HZ2 LYS 50 7.294 3.493 -0.352 343 HZ3 LYS 50 HZ3 LYS 50 6.990 5.137 -0.094 344 H LEU 51 H LEU 51 4.934 0.610 -5.059 345 HA LEU 51 HA LEU 51 2.752 0.803 -6.870 346 HB2 LEU 51 HB2 LEU 51 4.616 -1.344 -5.993 347 HB3 LEU 51 HB3 LEU 51 3.147 -1.807 -6.849 348 HG LEU 51 HG LEU 51 5.356 -0.031 -7.882 349 HD11 LEU 51 HD11 LEU 51 5.195 -2.782 -7.793 350 HD12 LEU 51 HD12 LEU 51 4.621 -2.386 -9.412 351 HD13 LEU 51 HD13 LEU 51 6.208 -1.830 -8.878 352 HD21 LEU 51 HD21 LEU 51 4.050 -0.138 -10.016 353 HD22 LEU 51 HD22 LEU 51 2.704 -0.799 -9.087 354 HD23 LEU 51 HD23 LEU 51 3.303 0.823 -8.739 355 HA PRO 52 HA PRO 52 -0.590 -0.225 -4.180 356 HB2 PRO 52 HB2 PRO 52 -2.394 -0.962 -6.070 357 HB3 PRO 52 HB3 PRO 52 -1.951 0.723 -5.770 358 HG2 PRO 52 HG2 PRO 52 -0.979 -1.140 -7.902 359 HG3 PRO 52 HG3 PRO 52 -1.441 0.566 -8.034 360 HD2 PRO 52 HD2 PRO 52 1.141 -0.237 -7.895 361 HD3 PRO 52 HD3 PRO 52 0.585 1.308 -7.220 362 H ASP 53 H ASP 53 -1.201 -2.003 -3.091 363 HA ASP 53 HA ASP 53 -0.037 -4.464 -3.380 364 HB2 ASP 53 HB2 ASP 53 -1.620 -3.443 -1.515 365 HB3 ASP 53 HB3 ASP 53 -2.842 -4.387 -2.362 366 H LYS 54 H LYS 54 -2.765 -3.178 -5.098 367 HA LYS 54 HA LYS 54 -3.868 -5.592 -6.049 368 HB2 LYS 54 HB2 LYS 54 -3.903 -2.797 -7.193 369 HB3 LYS 54 HB3 LYS 54 -4.830 -4.133 -7.863 370 HG2 LYS 54 HG2 LYS 54 -6.299 -4.179 -6.109 371 HG3 LYS 54 HG3 LYS 54 -5.135 -3.491 -4.974 372 HD2 LYS 54 HD2 LYS 54 -5.437 -1.314 -5.826 373 HD3 LYS 54 HD3 LYS 54 -6.260 -1.908 -7.270 374 HE2 LYS 54 HE2 LYS 54 -8.223 -2.369 -6.109 375 HE3 LYS 54 HE3 LYS 54 -7.405 -2.406 -4.548 376 HZ1 LYS 54 HZ1 LYS 54 -8.773 -0.401 -4.899 377 HZ2 LYS 54 HZ2 LYS 54 -7.144 -0.042 -4.616 378 HZ3 LYS 54 HZ3 LYS 54 -7.769 0.043 -6.186 379 H VAL 55 H VAL 55 -1.350 -3.463 -7.324 380 HA VAL 55 HA VAL 55 -0.968 -5.124 -9.668 381 HB VAL 55 HB VAL 55 0.591 -2.728 -8.688 382 HG11 VAL 55 HG11 VAL 55 1.246 -4.680 -10.651 383 HG12 VAL 55 HG12 VAL 55 0.896 -3.158 -11.470 384 HG13 VAL 55 HG13 VAL 55 2.129 -3.219 -10.210 385 HG21 VAL 55 HG21 VAL 55 -1.829 -2.410 -9.394 386 HG22 VAL 55 HG22 VAL 55 -0.626 -1.430 -10.233 387 HG23 VAL 55 HG23 VAL 55 -1.305 -2.856 -11.018 388 HA PRO 56 HA PRO 56 1.839 -7.731 -7.326 389 HB2 PRO 56 HB2 PRO 56 2.161 -9.561 -9.305 390 HB3 PRO 56 HB3 PRO 56 0.740 -9.523 -8.254 391 HG2 PRO 56 HG2 PRO 56 1.071 -8.455 -11.031 392 HG3 PRO 56 HG3 PRO 56 -0.289 -9.353 -10.333 393 HD2 PRO 56 HD2 PRO 56 -0.324 -6.663 -10.640 394 HD3 PRO 56 HD3 PRO 56 -1.160 -7.483 -9.305 395 H ILE 57 H ILE 57 4.053 -8.326 -7.509 396 HA ILE 57 HA ILE 57 5.520 -6.852 -9.599 397 HB ILE 57 HB ILE 57 7.398 -6.716 -7.933 398 HG12 ILE 57 HG12 ILE 57 5.498 -7.030 -5.693 399 HG13 ILE 57 HG13 ILE 57 5.967 -8.524 -6.496 400 HG21 ILE 57 HG21 ILE 57 5.355 -5.215 -6.537 401 HG22 ILE 57 HG22 ILE 57 6.699 -4.642 -7.526 402 HG23 ILE 57 HG23 ILE 57 5.175 -5.097 -8.288 403 HD11 ILE 57 HD11 ILE 57 7.843 -8.542 -5.338 404 HD12 ILE 57 HD12 ILE 57 8.314 -7.007 -6.069 405 HD13 ILE 57 HD13 ILE 57 7.392 -7.022 -4.565 406 H LYS 58 H LYS 58 7.590 -7.748 -10.227 407 HA LYS 58 HA LYS 58 7.456 -10.526 -10.741 408 HB2 LYS 58 HB2 LYS 58 8.588 -9.126 -12.313 409 HB3 LYS 58 HB3 LYS 58 9.673 -8.506 -11.074 410 HG2 LYS 58 HG2 LYS 58 10.843 -10.071 -12.479 411 HG3 LYS 58 HG3 LYS 58 10.669 -10.745 -10.857 412 HD2 LYS 58 HD2 LYS 58 8.438 -11.716 -12.010 413 HD3 LYS 58 HD3 LYS 58 9.496 -11.627 -13.420 414 HE2 LYS 58 HE2 LYS 58 11.147 -12.994 -12.328 415 HE3 LYS 58 HE3 LYS 58 10.230 -12.970 -10.823 416 HZ1 LYS 58 HZ1 LYS 58 10.022 -14.787 -12.921 417 HZ2 LYS 58 HZ2 LYS 58 9.094 -14.724 -11.507 418 HZ3 LYS 58 HZ3 LYS 58 8.577 -13.907 -12.895 419 H VAL 59 H VAL 59 8.355 -12.247 -9.747 420 HA VAL 59 HA VAL 59 10.325 -11.832 -7.631 421 HB VAL 59 HB VAL 59 9.056 -13.362 -6.104 422 HG11 VAL 59 HG11 VAL 59 7.868 -11.631 -5.097 423 HG12 VAL 59 HG12 VAL 59 9.088 -10.787 -6.050 424 HG13 VAL 59 HG13 VAL 59 7.431 -10.903 -6.643 425 HG21 VAL 59 HG21 VAL 59 7.538 -14.430 -7.581 426 HG22 VAL 59 HG22 VAL 59 6.565 -13.433 -6.499 427 HG23 VAL 59 HG23 VAL 59 6.894 -12.888 -8.144 428 H SER 60 H SER 60 11.705 -13.537 -7.336 429 HA SER 60 HA SER 60 12.245 -15.271 -9.388 430 HB2 SER 60 HB2 SER 60 12.793 -15.973 -6.503 431 HB3 SER 60 HB3 SER 60 13.744 -16.403 -7.925 432 HG SER 60 HG SER 60 13.517 -13.918 -6.621 433 H GLY 61 H GLY 61 10.802 -16.619 -10.275 434 HA2 GLY 61 HA2 GLY 61 9.846 -18.851 -8.709 435 HA3 GLY 61 HA3 GLY 61 8.574 -17.773 -9.263 436 H LYS 62 H LYS 62 11.428 -18.247 -11.184 437 HA LYS 62 HA LYS 62 11.701 -19.045 -13.301 438 HB2 LYS 62 HB2 LYS 62 9.922 -21.235 -12.213 439 HB3 LYS 62 HB3 LYS 62 10.876 -21.349 -13.686 440 HG2 LYS 62 HG2 LYS 62 12.923 -21.174 -12.430 441 HG3 LYS 62 HG3 LYS 62 12.021 -20.901 -10.937 442 HD2 LYS 62 HD2 LYS 62 11.819 -23.399 -12.617 443 HD3 LYS 62 HD3 LYS 62 12.862 -23.232 -11.202 444 HE2 LYS 62 HE2 LYS 62 10.664 -22.513 -10.007 445 HE3 LYS 62 HE3 LYS 62 9.876 -23.321 -11.362 446 HZ1 LYS 62 HZ1 LYS 62 11.721 -25.130 -10.598 447 HZ2 LYS 62 HZ2 LYS 62 11.279 -24.451 -9.113 448 HZ3 LYS 62 HZ3 LYS 62 10.100 -25.141 -10.111 449 H CYS 63 H CYS 63 10.649 -17.419 -14.444 450 HA CYS 63 HA CYS 63 7.803 -17.641 -14.963 451 HB2 CYS 63 HB2 CYS 63 9.324 -15.475 -14.694 452 HB3 CYS 63 HB3 CYS 63 9.523 -15.696 -16.429 453 H ASN 64 H ASN 64 6.968 -17.599 -17.183 454 HA ASN 64 HA ASN 64 8.176 -19.662 -18.755 455 HB2 ASN 64 HB2 ASN 64 5.723 -17.949 -19.064 456 HB3 ASN 64 HB3 ASN 64 6.258 -19.004 -20.368 457 HD21 ASN 64 HD21 ASN 64 3.976 -18.901 -18.276 458 HD22 ASN 64 HD22 ASN 64 3.886 -20.538 -17.730 Start of MODEL 11 1 H1 VAL 1 H VAL 1 1.452 0.898 0.699 2 HA VAL 1 HA VAL 1 1.427 -0.328 -1.984 3 HB VAL 1 HB VAL 1 2.836 1.746 -2.608 4 HG11 VAL 1 HG11 VAL 1 0.861 2.968 -3.240 5 HG12 VAL 1 HG12 VAL 1 0.539 1.241 -3.399 6 HG13 VAL 1 HG13 VAL 1 -0.095 2.133 -2.016 7 HG21 VAL 1 HG21 VAL 1 2.663 3.674 -1.309 8 HG22 VAL 1 HG22 VAL 1 1.319 3.032 -0.364 9 HG23 VAL 1 HG23 VAL 1 2.949 2.403 -0.121 10 H ARG 2 H ARG 2 3.733 -0.134 -2.994 11 HA ARG 2 HA ARG 2 5.956 -0.289 -1.212 12 HB2 ARG 2 HB2 ARG 2 6.496 -2.685 -1.706 13 HB3 ARG 2 HB3 ARG 2 5.097 -2.456 -0.666 14 HG2 ARG 2 HG2 ARG 2 3.652 -3.292 -2.189 15 HG3 ARG 2 HG3 ARG 2 4.566 -2.665 -3.563 16 HD2 ARG 2 HD2 ARG 2 6.085 -4.449 -3.510 17 HD3 ARG 2 HD3 ARG 2 5.610 -4.916 -1.877 18 HE ARG 2 HE ARG 2 4.394 -5.748 -4.319 19 HH11 ARG 2 HH11 ARG 2 3.764 -5.055 -0.966 20 HH12 ARG 2 HH12 ARG 2 2.387 -6.103 -0.873 21 HH21 ARG 2 HH21 ARG 2 2.583 -7.131 -4.210 22 HH22 ARG 2 HH22 ARG 2 1.717 -7.284 -2.719 23 H ASP 3 H ASP 3 7.941 -0.362 -2.297 24 HA ASP 3 HA ASP 3 7.755 0.298 -5.131 25 HB2 ASP 3 HB2 ASP 3 10.345 0.341 -3.647 26 HB3 ASP 3 HB3 ASP 3 9.753 1.427 -4.902 27 H GLY 4 H GLY 4 8.670 -0.868 -6.761 28 HA2 GLY 4 HA2 GLY 4 10.663 -2.750 -6.664 29 HA3 GLY 4 HA3 GLY 4 9.203 -3.636 -6.250 30 H TYR 5 H TYR 5 10.204 -4.664 -8.343 31 HA TYR 5 HA TYR 5 9.537 -3.307 -10.792 32 HB2 TYR 5 HB2 TYR 5 10.335 -6.190 -10.341 33 HB3 TYR 5 HB3 TYR 5 10.287 -5.359 -11.892 34 HD1 TYR 5 HD1 TYR 5 12.378 -6.381 -9.291 35 HD2 TYR 5 HD2 TYR 5 11.739 -3.119 -11.946 36 HE1 TYR 5 HE1 TYR 5 14.713 -5.675 -8.975 37 HE2 TYR 5 HE2 TYR 5 14.072 -2.404 -11.639 38 HH TYR 5 HH TYR 5 16.246 -4.130 -9.426 39 H ILE 6 H ILE 6 7.723 -3.471 -11.964 40 HA ILE 6 HA ILE 6 5.458 -4.842 -10.823 41 HB ILE 6 HB ILE 6 4.118 -3.661 -12.292 42 HG12 ILE 6 HG12 ILE 6 6.505 -3.493 -14.141 43 HG13 ILE 6 HG13 ILE 6 5.049 -4.453 -14.379 44 HG21 ILE 6 HG21 ILE 6 4.651 -1.536 -11.787 45 HG22 ILE 6 HG22 ILE 6 5.995 -2.275 -10.916 46 HG23 ILE 6 HG23 ILE 6 6.240 -1.646 -12.545 47 HD11 ILE 6 HD11 ILE 6 5.569 -1.852 -15.277 48 HD12 ILE 6 HD12 ILE 6 4.068 -2.767 -15.411 49 HD13 ILE 6 HD13 ILE 6 4.335 -1.710 -14.025 50 H ALA 7 H ALA 7 4.262 -6.499 -11.765 51 HA ALA 7 HA ALA 7 5.651 -7.987 -13.898 52 HB1 ALA 7 HB1 ALA 7 4.155 -9.027 -11.502 53 HB2 ALA 7 HB2 ALA 7 4.631 -10.037 -12.867 54 HB3 ALA 7 HB3 ALA 7 5.862 -9.239 -11.889 55 H ASP 8 H ASP 8 4.253 -9.350 -15.243 56 HA ASP 8 HA ASP 8 1.750 -7.959 -15.832 57 HB2 ASP 8 HB2 ASP 8 1.827 -9.199 -17.975 58 HB3 ASP 8 HB3 ASP 8 3.281 -8.244 -17.699 59 H ASP 9 H ASP 9 0.273 -9.838 -17.096 60 HA ASP 9 HA ASP 9 -1.042 -11.155 -15.018 61 HB2 ASP 9 HB2 ASP 9 -1.984 -10.570 -17.290 62 HB3 ASP 9 HB3 ASP 9 -1.132 -11.976 -17.924 63 H LYS 10 H LYS 10 1.752 -12.049 -16.791 64 HA LYS 10 HA LYS 10 1.546 -14.842 -15.917 65 HB2 LYS 10 HB2 LYS 10 3.524 -13.552 -17.806 66 HB3 LYS 10 HB3 LYS 10 3.418 -15.269 -17.443 67 HG2 LYS 10 HG2 LYS 10 0.875 -14.711 -18.252 68 HG3 LYS 10 HG3 LYS 10 1.833 -13.632 -19.268 69 HD2 LYS 10 HD2 LYS 10 1.899 -15.497 -20.573 70 HD3 LYS 10 HD3 LYS 10 3.299 -15.831 -19.551 71 HE2 LYS 10 HE2 LYS 10 1.955 -17.242 -18.116 72 HE3 LYS 10 HE3 LYS 10 0.503 -16.839 -19.031 73 HZ1 LYS 10 HZ1 LYS 10 1.007 -18.311 -20.615 74 HZ2 LYS 10 HZ2 LYS 10 2.648 -17.898 -20.639 75 HZ3 LYS 10 HZ3 LYS 10 2.067 -18.987 -19.481 76 H ASN 11 H ASN 11 2.188 -12.479 -14.192 77 HA ASN 11 HA ASN 11 3.642 -11.869 -12.545 78 HB2 ASN 11 HB2 ASN 11 3.019 -14.379 -12.084 79 HB3 ASN 11 HB3 ASN 11 4.705 -14.670 -12.501 80 HD21 ASN 11 HD21 ASN 11 6.317 -13.966 -11.140 81 HD22 ASN 11 HD22 ASN 11 6.006 -13.399 -9.538 82 H CYS 12 H CYS 12 4.603 -11.808 -15.354 83 HA CYS 12 HA CYS 12 7.476 -12.259 -15.004 84 HB2 CYS 12 HB2 CYS 12 5.846 -11.585 -17.462 85 HB3 CYS 12 HB3 CYS 12 7.594 -11.791 -17.453 86 H ALA 13 H ALA 13 8.950 -10.643 -14.941 87 HA ALA 13 HA ALA 13 8.162 -8.064 -14.165 88 HB1 ALA 13 HB1 ALA 13 10.274 -8.063 -13.490 89 HB2 ALA 13 HB2 ALA 13 10.605 -9.509 -14.443 90 HB3 ALA 13 HB3 ALA 13 10.796 -7.913 -15.167 91 H TYR 14 H TYR 14 7.998 -6.140 -15.234 92 HA TYR 14 HA TYR 14 7.359 -6.208 -17.994 93 HB2 TYR 14 HB2 TYR 14 7.455 -4.163 -15.861 94 HB3 TYR 14 HB3 TYR 14 7.642 -3.559 -17.503 95 HD1 TYR 14 HD1 TYR 14 5.547 -6.358 -16.208 96 HD2 TYR 14 HD2 TYR 14 5.634 -2.510 -18.022 97 HE1 TYR 14 HE1 TYR 14 3.108 -6.454 -16.516 98 HE2 TYR 14 HE2 TYR 14 3.195 -2.595 -18.334 99 HH TYR 14 HH TYR 14 1.389 -4.006 -18.344 100 H PHE 15 H PHE 15 9.063 -6.851 -19.250 101 HA PHE 15 HA PHE 15 11.699 -5.819 -18.985 102 HB2 PHE 15 HB2 PHE 15 10.584 -7.047 -21.498 103 HB3 PHE 15 HB3 PHE 15 12.238 -7.096 -20.898 104 HD1 PHE 15 HD1 PHE 15 11.945 -7.949 -18.152 105 HD2 PHE 15 HD2 PHE 15 9.831 -9.219 -21.621 106 HE1 PHE 15 HE1 PHE 15 11.491 -10.116 -17.078 107 HE2 PHE 15 HE2 PHE 15 9.373 -11.387 -20.553 108 HZ PHE 15 HZ PHE 15 10.203 -11.838 -18.278 109 H CYS 16 H CYS 16 11.158 -3.523 -18.914 110 HA CYS 16 HA CYS 16 10.241 -2.269 -21.352 111 HB2 CYS 16 HB2 CYS 16 10.482 -0.170 -20.121 112 HB3 CYS 16 HB3 CYS 16 9.598 -1.352 -19.161 113 H GLY 17 H GLY 17 11.603 -0.184 -21.956 114 HA2 GLY 17 HA2 GLY 17 14.472 -0.722 -21.915 115 HA3 GLY 17 HA3 GLY 17 13.689 -0.748 -23.489 116 H ARG 18 H ARG 18 12.283 1.421 -21.280 117 HA ARG 18 HA ARG 18 13.988 3.658 -21.962 118 HB2 ARG 18 HB2 ARG 18 11.397 3.152 -23.291 119 HB3 ARG 18 HB3 ARG 18 11.641 4.791 -22.702 120 HG2 ARG 18 HG2 ARG 18 13.977 4.445 -23.941 121 HG3 ARG 18 HG3 ARG 18 12.987 3.338 -24.894 122 HD2 ARG 18 HD2 ARG 18 11.689 5.013 -25.745 123 HD3 ARG 18 HD3 ARG 18 11.891 6.038 -24.324 124 HE ARG 18 HE ARG 18 14.361 5.835 -25.618 125 HH11 ARG 18 HH11 ARG 18 11.192 7.173 -26.155 126 HH12 ARG 18 HH12 ARG 18 11.763 8.457 -27.168 127 HH21 ARG 18 HH21 ARG 18 15.125 7.521 -26.951 128 HH22 ARG 18 HH22 ARG 18 14.000 8.653 -27.621 129 H ASN 19 H ASN 19 13.883 5.265 -20.475 130 HA ASN 19 HA ASN 19 12.717 4.789 -17.983 131 HB2 ASN 19 HB2 ASN 19 14.083 7.075 -19.287 132 HB3 ASN 19 HB3 ASN 19 13.089 7.458 -17.884 133 HD21 ASN 19 HD21 ASN 19 15.328 4.860 -18.809 134 HD22 ASN 19 HD22 ASN 19 16.253 4.910 -17.350 135 H ALA 20 H ALA 20 11.790 7.302 -20.343 136 HA ALA 20 HA ALA 20 9.514 8.234 -19.131 137 HB1 ALA 20 HB1 ALA 20 10.650 9.017 -21.291 138 HB2 ALA 20 HB2 ALA 20 9.618 7.839 -22.103 139 HB3 ALA 20 HB3 ALA 20 8.895 9.160 -21.185 140 H TYR 21 H TYR 21 9.802 5.438 -21.296 141 HA TYR 21 HA TYR 21 7.130 4.766 -21.543 142 HB2 TYR 21 HB2 TYR 21 8.641 3.564 -22.886 143 HB3 TYR 21 HB3 TYR 21 9.633 3.097 -21.509 144 HD1 TYR 21 HD1 TYR 21 6.560 2.386 -23.383 145 HD2 TYR 21 HD2 TYR 21 9.027 1.210 -20.122 146 HE1 TYR 21 HE1 TYR 21 5.349 0.250 -23.245 147 HE2 TYR 21 HE2 TYR 21 7.823 -0.930 -19.976 148 HH TYR 21 HH TYR 21 5.300 -1.676 -20.727 149 H CYS 22 H CYS 22 9.437 3.550 -19.112 150 HA CYS 22 HA CYS 22 7.651 1.997 -17.649 151 HB2 CYS 22 HB2 CYS 22 10.292 3.225 -17.160 152 HB3 CYS 22 HB3 CYS 22 9.363 2.841 -15.715 153 H ASP 23 H ASP 23 8.581 5.393 -17.163 154 HA ASP 23 HA ASP 23 7.143 5.967 -14.888 155 HB2 ASP 23 HB2 ASP 23 8.705 7.514 -16.110 156 HB3 ASP 23 HB3 ASP 23 7.402 7.832 -17.252 157 H GLU 24 H GLU 24 5.998 5.801 -18.221 158 HA GLU 24 HA GLU 24 3.395 6.796 -17.712 159 HB2 GLU 24 HB2 GLU 24 4.494 6.654 -19.964 160 HB3 GLU 24 HB3 GLU 24 4.231 4.916 -19.923 161 HG2 GLU 24 HG2 GLU 24 2.436 5.631 -21.154 162 HG3 GLU 24 HG3 GLU 24 1.749 5.563 -19.532 163 H GLU 25 H GLU 25 4.494 3.455 -18.329 164 HA GLU 25 HA GLU 25 2.071 2.210 -17.705 165 HB2 GLU 25 HB2 GLU 25 4.744 0.930 -17.195 166 HB3 GLU 25 HB3 GLU 25 3.250 0.171 -17.726 167 HG2 GLU 25 HG2 GLU 25 5.193 1.807 -19.298 168 HG3 GLU 25 HG3 GLU 25 4.562 0.196 -19.634 169 H CYS 26 H CYS 26 4.645 3.375 -15.666 170 HA CYS 26 HA CYS 26 4.026 1.951 -13.319 171 HB2 CYS 26 HB2 CYS 26 5.523 4.454 -13.950 172 HB3 CYS 26 HB3 CYS 26 5.086 4.150 -12.271 173 H LYS 27 H LYS 27 3.344 5.393 -13.966 174 HA LYS 27 HA LYS 27 1.590 5.817 -11.875 175 HB2 LYS 27 HB2 LYS 27 2.397 7.694 -13.096 176 HB3 LYS 27 HB3 LYS 27 1.742 7.081 -14.608 177 HG2 LYS 27 HG2 LYS 27 -0.183 7.604 -12.423 178 HG3 LYS 27 HG3 LYS 27 0.562 9.002 -13.202 179 HD2 LYS 27 HD2 LYS 27 -0.092 7.642 -15.390 180 HD3 LYS 27 HD3 LYS 27 -1.316 6.982 -14.303 181 HE2 LYS 27 HE2 LYS 27 -2.363 8.829 -15.268 182 HE3 LYS 27 HE3 LYS 27 -1.815 9.426 -13.703 183 HZ1 LYS 27 HZ1 LYS 27 0.075 9.753 -15.870 184 HZ2 LYS 27 HZ2 LYS 27 -1.346 10.657 -16.029 185 HZ3 LYS 27 HZ3 LYS 27 -0.378 10.838 -14.654 186 H LYS 28 H LYS 28 0.858 4.735 -15.174 187 HA LYS 28 HA LYS 28 -1.927 4.656 -14.944 188 HB2 LYS 28 HB2 LYS 28 -0.040 3.004 -16.626 189 HB3 LYS 28 HB3 LYS 28 -1.789 2.949 -16.795 190 HG2 LYS 28 HG2 LYS 28 -1.118 5.659 -16.896 191 HG3 LYS 28 HG3 LYS 28 0.093 4.829 -17.876 192 HD2 LYS 28 HD2 LYS 28 -2.881 4.419 -18.159 193 HD3 LYS 28 HD3 LYS 28 -1.942 5.550 -19.136 194 HE2 LYS 28 HE2 LYS 28 -0.470 3.514 -19.692 195 HE3 LYS 28 HE3 LYS 28 -1.811 2.553 -19.070 196 HZ1 LYS 28 HZ1 LYS 28 -2.384 4.618 -21.070 197 HZ2 LYS 28 HZ2 LYS 28 -1.658 3.181 -21.589 198 HZ3 LYS 28 HZ3 LYS 28 -3.154 3.136 -20.800 199 H LYS 29 H LYS 29 0.508 2.563 -13.677 200 HA LYS 29 HA LYS 29 -1.400 0.433 -13.106 201 HB2 LYS 29 HB2 LYS 29 1.568 0.713 -12.970 202 HB3 LYS 29 HB3 LYS 29 0.796 -0.481 -11.936 203 HG2 LYS 29 HG2 LYS 29 -0.384 -1.137 -14.219 204 HG3 LYS 29 HG3 LYS 29 1.087 -0.421 -14.882 205 HD2 LYS 29 HD2 LYS 29 2.424 -1.916 -13.439 206 HD3 LYS 29 HD3 LYS 29 0.931 -2.666 -12.871 207 HE2 LYS 29 HE2 LYS 29 1.578 -2.526 -15.794 208 HE3 LYS 29 HE3 LYS 29 2.247 -3.802 -14.778 209 HZ1 LYS 29 HZ1 LYS 29 -0.646 -3.220 -15.112 210 HZ2 LYS 29 HZ2 LYS 29 0.190 -4.485 -15.864 211 HZ3 LYS 29 HZ3 LYS 29 0.015 -4.469 -14.181 212 H GLY 30 H GLY 30 -1.518 3.141 -11.844 213 HA2 GLY 30 HA2 GLY 30 -2.204 3.912 -9.784 214 HA3 GLY 30 HA3 GLY 30 -2.110 2.259 -9.194 215 H ALA 31 H ALA 31 0.715 3.519 -10.679 216 HA ALA 31 HA ALA 31 2.067 3.507 -8.094 217 HB1 ALA 31 HB1 ALA 31 4.067 3.217 -9.245 218 HB2 ALA 31 HB2 ALA 31 2.904 2.322 -10.223 219 HB3 ALA 31 HB3 ALA 31 3.430 3.928 -10.728 220 H GLU 32 H GLU 32 3.686 5.207 -7.638 221 HA GLU 32 HA GLU 32 2.517 7.821 -8.129 222 HB2 GLU 32 HB2 GLU 32 3.368 6.925 -5.858 223 HB3 GLU 32 HB3 GLU 32 4.972 7.298 -6.475 224 HG2 GLU 32 HG2 GLU 32 4.357 9.165 -5.220 225 HG3 GLU 32 HG3 GLU 32 4.102 9.643 -6.897 226 H SER 33 H SER 33 5.443 6.027 -8.867 227 HA SER 33 HA SER 33 6.047 7.386 -11.198 228 HB2 SER 33 HB2 SER 33 6.952 8.775 -8.776 229 HB3 SER 33 HB3 SER 33 8.236 8.489 -9.951 230 HG SER 33 HG SER 33 6.796 10.475 -10.108 231 H GLY 34 H GLY 34 7.949 6.628 -12.207 232 HA2 GLY 34 HA2 GLY 34 9.823 4.976 -10.788 233 HA3 GLY 34 HA3 GLY 34 8.693 4.039 -11.754 234 H TYR 35 H TYR 35 10.553 3.310 -12.952 235 HA TYR 35 HA TYR 35 10.924 4.714 -15.364 236 HB2 TYR 35 HB2 TYR 35 13.453 5.054 -15.046 237 HB3 TYR 35 HB3 TYR 35 12.373 6.228 -14.303 238 HD1 TYR 35 HD1 TYR 35 13.570 2.846 -13.245 239 HD2 TYR 35 HD2 TYR 35 13.290 6.992 -12.329 240 HE1 TYR 35 HE1 TYR 35 14.629 2.430 -11.064 241 HE2 TYR 35 HE2 TYR 35 14.350 6.588 -10.147 242 HH TYR 35 HH TYR 35 15.954 4.769 -9.188 243 H CYS 36 H CYS 36 13.127 3.738 -16.439 244 HA CYS 36 HA CYS 36 12.741 0.844 -16.254 245 HB2 CYS 36 HB2 CYS 36 12.702 2.317 -18.446 246 HB3 CYS 36 HB3 CYS 36 14.449 2.124 -18.348 247 H GLN 37 H GLN 37 14.084 -0.238 -14.983 248 HA GLN 37 HA GLN 37 16.925 0.523 -14.974 249 HB2 GLN 37 HB2 GLN 37 15.710 1.239 -12.882 250 HB3 GLN 37 HB3 GLN 37 15.435 -0.464 -12.542 251 HG2 GLN 37 HG2 GLN 37 17.457 -0.692 -11.675 252 HG3 GLN 37 HG3 GLN 37 18.213 0.021 -13.099 253 HE21 GLN 37 HE21 GLN 37 16.114 1.195 -10.485 254 HE22 GLN 37 HE22 GLN 37 17.101 2.553 -10.073 255 H TRP 38 H TRP 38 18.344 -1.115 -15.198 256 HA TRP 38 HA TRP 38 17.335 -3.700 -15.912 257 HB2 TRP 38 HB2 TRP 38 19.738 -4.263 -16.251 258 HB3 TRP 38 HB3 TRP 38 19.235 -2.812 -17.114 259 HD1 TRP 38 HD1 TRP 38 20.686 -3.421 -13.550 260 HE1 TRP 38 HE1 TRP 38 22.565 -1.704 -13.169 261 HE3 TRP 38 HE3 TRP 38 20.506 -1.007 -18.053 262 HZ2 TRP 38 HZ2 TRP 38 23.806 0.396 -14.589 263 HZ3 TRP 38 HZ3 TRP 38 22.073 0.846 -18.462 264 HH2 TRP 38 HH2 TRP 38 23.688 1.531 -16.764 265 H ALA 39 H ALA 39 18.584 -5.682 -15.008 266 HA ALA 39 HA ALA 39 19.329 -5.544 -12.234 267 HB1 ALA 39 HB1 ALA 39 16.643 -5.720 -12.651 268 HB2 ALA 39 HB2 ALA 39 17.097 -7.420 -12.518 269 HB3 ALA 39 HB3 ALA 39 17.482 -6.299 -11.212 270 H GLY 40 H GLY 40 18.937 -8.205 -11.536 271 HA2 GLY 40 HA2 GLY 40 20.638 -9.568 -13.530 272 HA3 GLY 40 HA3 GLY 40 20.757 -9.824 -11.795 273 H GLN 41 H GLN 41 18.524 -10.511 -10.815 274 HA GLN 41 HA GLN 41 17.957 -13.069 -11.556 275 HB2 GLN 41 HB2 GLN 41 17.167 -11.849 -9.486 276 HB3 GLN 41 HB3 GLN 41 15.861 -11.194 -10.464 277 HG2 GLN 41 HG2 GLN 41 15.056 -13.082 -9.231 278 HG3 GLN 41 HG3 GLN 41 15.109 -13.490 -10.945 279 HE21 GLN 41 HE21 GLN 41 16.214 -15.233 -11.565 280 HE22 GLN 41 HE22 GLN 41 17.225 -16.187 -10.540 281 H TYR 42 H TYR 42 15.550 -10.524 -12.169 282 HA TYR 42 HA TYR 42 14.672 -12.005 -14.532 283 HB2 TYR 42 HB2 TYR 42 13.087 -9.668 -13.998 284 HB3 TYR 42 HB3 TYR 42 12.615 -11.363 -13.940 285 HD1 TYR 42 HD1 TYR 42 13.230 -12.657 -11.777 286 HD2 TYR 42 HD2 TYR 42 13.124 -8.412 -12.041 287 HE1 TYR 42 HE1 TYR 42 13.009 -12.517 -9.331 288 HE2 TYR 42 HE2 TYR 42 12.904 -8.260 -9.596 289 HH TYR 42 HH TYR 42 12.318 -9.511 -7.719 290 H GLY 43 H GLY 43 17.147 -10.494 -14.582 291 HA2 GLY 43 HA2 GLY 43 18.257 -8.944 -15.870 292 HA3 GLY 43 HA3 GLY 43 17.040 -9.336 -17.076 293 H ASN 44 H ASN 44 16.326 -7.492 -17.916 294 HA ASN 44 HA ASN 44 16.160 -5.086 -16.318 295 HB2 ASN 44 HB2 ASN 44 16.705 -5.506 -18.946 296 HB3 ASN 44 HB3 ASN 44 14.997 -5.082 -19.034 297 HD21 ASN 44 HD21 ASN 44 14.970 -3.324 -16.808 298 HD22 ASN 44 HD22 ASN 44 15.836 -1.898 -17.260 299 H ALA 45 H ALA 45 14.453 -4.634 -15.108 300 HA ALA 45 HA ALA 45 11.782 -5.368 -16.095 301 HB1 ALA 45 HB1 ALA 45 11.099 -5.969 -13.820 302 HB2 ALA 45 HB2 ALA 45 12.406 -7.000 -14.401 303 HB3 ALA 45 HB3 ALA 45 12.749 -5.702 -13.257 304 H CYS 46 H CYS 46 10.196 -3.871 -15.780 305 HA CYS 46 HA CYS 46 10.916 -1.190 -15.378 306 HB2 CYS 46 HB2 CYS 46 8.857 -2.199 -16.587 307 HB3 CYS 46 HB3 CYS 46 8.107 -2.190 -14.994 308 H TRP 47 H TRP 47 11.174 -0.003 -13.603 309 HA TRP 47 HA TRP 47 10.363 -1.169 -11.030 310 HB2 TRP 47 HB2 TRP 47 12.726 -0.776 -11.115 311 HB3 TRP 47 HB3 TRP 47 12.491 0.857 -11.733 312 HD1 TRP 47 HD1 TRP 47 11.679 2.731 -9.969 313 HE1 TRP 47 HE1 TRP 47 11.884 2.847 -7.406 314 HE3 TRP 47 HE3 TRP 47 12.713 -2.184 -9.014 315 HZ2 TRP 47 HZ2 TRP 47 12.414 1.088 -5.263 316 HZ3 TRP 47 HZ3 TRP 47 13.057 -2.885 -6.681 317 HH2 TRP 47 HH2 TRP 47 12.911 -1.282 -4.845 318 H CYS 48 H CYS 48 8.956 -0.152 -9.720 319 HA CYS 48 HA CYS 48 8.145 2.590 -10.406 320 HB2 CYS 48 HB2 CYS 48 6.307 0.274 -9.768 321 HB3 CYS 48 HB3 CYS 48 5.791 1.953 -9.892 322 H TYR 49 H TYR 49 6.985 3.689 -8.627 323 HA TYR 49 HA TYR 49 8.023 2.800 -6.018 324 HB2 TYR 49 HB2 TYR 49 7.708 5.508 -7.249 325 HB3 TYR 49 HB3 TYR 49 7.618 5.350 -5.499 326 HD1 TYR 49 HD1 TYR 49 9.586 4.269 -4.294 327 HD2 TYR 49 HD2 TYR 49 9.784 5.572 -8.340 328 HE1 TYR 49 HE1 TYR 49 12.042 4.291 -4.160 329 HE2 TYR 49 HE2 TYR 49 12.240 5.595 -8.218 330 HH TYR 49 HH TYR 49 14.012 4.148 -6.491 331 H LYS 50 H LYS 50 6.707 2.947 -4.195 332 HA LYS 50 HA LYS 50 4.726 2.504 -3.128 333 HB2 LYS 50 HB2 LYS 50 3.908 5.026 -4.581 334 HB3 LYS 50 HB3 LYS 50 3.206 4.401 -3.095 335 HG2 LYS 50 HG2 LYS 50 6.088 4.801 -2.925 336 HG3 LYS 50 HG3 LYS 50 5.188 6.281 -3.267 337 HD2 LYS 50 HD2 LYS 50 5.193 6.230 -0.952 338 HD3 LYS 50 HD3 LYS 50 3.643 5.478 -1.338 339 HE2 LYS 50 HE2 LYS 50 4.792 3.254 -1.167 340 HE3 LYS 50 HE3 LYS 50 6.209 4.106 -0.556 341 HZ1 LYS 50 HZ1 LYS 50 5.057 4.777 1.355 342 HZ2 LYS 50 HZ2 LYS 50 3.548 4.366 0.712 343 HZ3 LYS 50 HZ3 LYS 50 4.639 3.151 1.152 344 H LEU 51 H LEU 51 4.710 0.750 -5.029 345 HA LEU 51 HA LEU 51 2.592 1.034 -6.933 346 HB2 LEU 51 HB2 LEU 51 4.440 -1.139 -6.091 347 HB3 LEU 51 HB3 LEU 51 2.981 -1.580 -6.975 348 HG LEU 51 HG LEU 51 5.161 0.265 -7.949 349 HD11 LEU 51 HD11 LEU 51 4.577 -2.128 -9.487 350 HD12 LEU 51 HD12 LEU 51 6.122 -1.488 -8.929 351 HD13 LEU 51 HD13 LEU 51 5.143 -2.489 -7.856 352 HD21 LEU 51 HD21 LEU 51 3.936 0.193 -10.084 353 HD22 LEU 51 HD22 LEU 51 2.633 -0.689 -9.288 354 HD23 LEU 51 HD23 LEU 51 3.005 0.964 -8.800 355 HA PRO 52 HA PRO 52 -0.840 -0.134 -4.439 356 HB2 PRO 52 HB2 PRO 52 -2.485 -1.095 -6.374 357 HB3 PRO 52 HB3 PRO 52 -2.160 0.629 -6.158 358 HG2 PRO 52 HG2 PRO 52 -0.957 -1.296 -8.110 359 HG3 PRO 52 HG3 PRO 52 -1.511 0.368 -8.376 360 HD2 PRO 52 HD2 PRO 52 1.102 -0.263 -8.046 361 HD3 PRO 52 HD3 PRO 52 0.417 1.282 -7.503 362 H ASP 53 H ASP 53 -1.371 -1.874 -3.259 363 HA ASP 53 HA ASP 53 -0.058 -4.280 -3.367 364 HB2 ASP 53 HB2 ASP 53 -1.734 -3.236 -1.599 365 HB3 ASP 53 HB3 ASP 53 -2.886 -4.293 -2.410 366 H LYS 54 H LYS 54 -2.827 -3.257 -5.200 367 HA LYS 54 HA LYS 54 -3.764 -5.785 -6.026 368 HB2 LYS 54 HB2 LYS 54 -3.969 -3.041 -7.258 369 HB3 LYS 54 HB3 LYS 54 -4.729 -4.456 -7.974 370 HG2 LYS 54 HG2 LYS 54 -6.496 -3.958 -6.723 371 HG3 LYS 54 HG3 LYS 54 -5.561 -4.561 -5.353 372 HD2 LYS 54 HD2 LYS 54 -6.085 -2.492 -4.551 373 HD3 LYS 54 HD3 LYS 54 -4.598 -2.086 -5.413 374 HE2 LYS 54 HE2 LYS 54 -5.938 -0.474 -6.283 375 HE3 LYS 54 HE3 LYS 54 -6.326 -1.769 -7.415 376 HZ1 LYS 54 HZ1 LYS 54 -8.413 -1.866 -6.683 377 HZ2 LYS 54 HZ2 LYS 54 -7.958 -1.807 -5.055 378 HZ3 LYS 54 HZ3 LYS 54 -8.122 -0.374 -5.939 379 H VAL 55 H VAL 55 -1.317 -3.607 -7.336 380 HA VAL 55 HA VAL 55 -0.817 -5.326 -9.614 381 HB VAL 55 HB VAL 55 0.568 -2.818 -8.660 382 HG11 VAL 55 HG11 VAL 55 1.718 -2.846 -10.842 383 HG12 VAL 55 HG12 VAL 55 2.173 -4.209 -9.819 384 HG13 VAL 55 HG13 VAL 55 1.045 -4.446 -11.154 385 HG21 VAL 55 HG21 VAL 55 -1.803 -2.733 -9.613 386 HG22 VAL 55 HG22 VAL 55 -0.594 -1.680 -10.348 387 HG23 VAL 55 HG23 VAL 55 -1.067 -3.176 -11.154 388 HA PRO 56 HA PRO 56 2.009 -7.767 -7.118 389 HB2 PRO 56 HB2 PRO 56 2.437 -9.649 -9.027 390 HB3 PRO 56 HB3 PRO 56 0.990 -9.621 -8.013 391 HG2 PRO 56 HG2 PRO 56 1.358 -8.634 -10.815 392 HG3 PRO 56 HG3 PRO 56 0.009 -9.552 -10.120 393 HD2 PRO 56 HD2 PRO 56 -0.102 -6.876 -10.517 394 HD3 PRO 56 HD3 PRO 56 -0.946 -7.678 -9.176 395 H ILE 57 H ILE 57 4.246 -8.390 -7.294 396 HA ILE 57 HA ILE 57 5.717 -6.896 -9.366 397 HB ILE 57 HB ILE 57 7.534 -6.585 -7.719 398 HG12 ILE 57 HG12 ILE 57 5.850 -7.072 -5.380 399 HG13 ILE 57 HG13 ILE 57 6.209 -8.542 -6.280 400 HG21 ILE 57 HG21 ILE 57 6.659 -4.622 -7.080 401 HG22 ILE 57 HG22 ILE 57 5.255 -5.128 -8.019 402 HG23 ILE 57 HG23 ILE 57 5.288 -5.383 -6.275 403 HD11 ILE 57 HD11 ILE 57 8.341 -8.559 -5.623 404 HD12 ILE 57 HD12 ILE 57 8.524 -6.816 -5.828 405 HD13 ILE 57 HD13 ILE 57 7.788 -7.460 -4.360 406 H LYS 58 H LYS 58 7.675 -7.798 -10.113 407 HA LYS 58 HA LYS 58 7.649 -10.620 -10.376 408 HB2 LYS 58 HB2 LYS 58 8.535 -9.188 -12.137 409 HB3 LYS 58 HB3 LYS 58 9.797 -8.604 -11.060 410 HG2 LYS 58 HG2 LYS 58 10.672 -10.246 -12.615 411 HG3 LYS 58 HG3 LYS 58 10.754 -10.848 -10.958 412 HD2 LYS 58 HD2 LYS 58 8.623 -12.077 -11.376 413 HD3 LYS 58 HD3 LYS 58 8.725 -11.580 -13.067 414 HE2 LYS 58 HE2 LYS 58 11.175 -12.622 -12.763 415 HE3 LYS 58 HE3 LYS 58 10.305 -13.584 -11.570 416 HZ1 LYS 58 HZ1 LYS 58 10.322 -13.863 -14.365 417 HZ2 LYS 58 HZ2 LYS 58 9.543 -14.829 -13.215 418 HZ3 LYS 58 HZ3 LYS 58 8.745 -13.492 -13.877 419 H VAL 59 H VAL 59 8.803 -12.193 -9.375 420 HA VAL 59 HA VAL 59 10.905 -11.468 -7.487 421 HB VAL 59 HB VAL 59 9.871 -12.996 -5.752 422 HG11 VAL 59 HG11 VAL 59 9.100 -11.177 -4.679 423 HG12 VAL 59 HG12 VAL 59 9.683 -10.314 -6.102 424 HG13 VAL 59 HG13 VAL 59 7.981 -10.758 -5.976 425 HG21 VAL 59 HG21 VAL 59 7.395 -13.205 -5.856 426 HG22 VAL 59 HG22 VAL 59 7.454 -12.600 -7.511 427 HG23 VAL 59 HG23 VAL 59 8.235 -14.127 -7.103 428 H SER 60 H SER 60 12.215 -13.264 -6.829 429 HA SER 60 HA SER 60 12.941 -14.999 -8.840 430 HB2 SER 60 HB2 SER 60 13.890 -16.394 -6.808 431 HB3 SER 60 HB3 SER 60 14.562 -14.812 -7.202 432 HG SER 60 HG SER 60 14.134 -14.868 -5.013 433 H GLY 61 H GLY 61 12.408 -17.040 -9.466 434 HA2 GLY 61 HA2 GLY 61 11.286 -19.132 -8.285 435 HA3 GLY 61 HA3 GLY 61 9.886 -18.079 -8.431 436 H LYS 62 H LYS 62 8.903 -17.811 -10.397 437 HA LYS 62 HA LYS 62 10.032 -18.506 -12.882 438 HB2 LYS 62 HB2 LYS 62 9.682 -20.782 -11.656 439 HB3 LYS 62 HB3 LYS 62 7.985 -20.533 -12.043 440 HG2 LYS 62 HG2 LYS 62 8.669 -21.784 -13.832 441 HG3 LYS 62 HG3 LYS 62 8.891 -20.150 -14.462 442 HD2 LYS 62 HD2 LYS 62 11.286 -20.305 -13.671 443 HD3 LYS 62 HD3 LYS 62 10.990 -22.021 -13.381 444 HE2 LYS 62 HE2 LYS 62 10.728 -22.485 -15.639 445 HE3 LYS 62 HE3 LYS 62 10.355 -20.810 -16.042 446 HZ1 LYS 62 HZ1 LYS 62 12.898 -20.762 -15.000 447 HZ2 LYS 62 HZ2 LYS 62 12.873 -22.127 -15.999 448 HZ3 LYS 62 HZ3 LYS 62 12.470 -20.610 -16.630 449 H CYS 63 H CYS 63 8.697 -17.963 -14.596 450 HA CYS 63 HA CYS 63 6.557 -16.195 -14.007 451 HB2 CYS 63 HB2 CYS 63 7.905 -17.201 -16.448 452 HB3 CYS 63 HB3 CYS 63 6.259 -16.612 -16.655 453 H ASN 64 H ASN 64 4.349 -16.397 -14.434 454 HA ASN 64 HA ASN 64 3.274 -19.009 -13.981 455 HB2 ASN 64 HB2 ASN 64 1.985 -16.327 -14.502 456 HB3 ASN 64 HB3 ASN 64 1.058 -17.797 -14.217 457 HD21 ASN 64 HD21 ASN 64 0.311 -16.261 -12.462 458 HD22 ASN 64 HD22 ASN 64 1.143 -16.362 -10.951 Start of MODEL 12 1 H1 VAL 1 H VAL 1 1.538 0.234 0.691 2 HA VAL 1 HA VAL 1 1.436 -0.851 -2.049 3 HB VAL 1 HB VAL 1 2.839 1.215 -2.645 4 HG11 VAL 1 HG11 VAL 1 0.879 2.510 -3.138 5 HG12 VAL 1 HG12 VAL 1 0.480 0.802 -3.319 6 HG13 VAL 1 HG13 VAL 1 -0.040 1.681 -1.881 7 HG21 VAL 1 HG21 VAL 1 2.553 3.169 -1.259 8 HG22 VAL 1 HG22 VAL 1 1.555 2.261 -0.124 9 HG23 VAL 1 HG23 VAL 1 3.267 1.876 -0.296 10 H ARG 2 H ARG 2 3.730 -0.652 -3.085 11 HA ARG 2 HA ARG 2 5.966 -0.929 -1.322 12 HB2 ARG 2 HB2 ARG 2 6.461 -3.305 -2.055 13 HB3 ARG 2 HB3 ARG 2 5.156 -3.113 -0.893 14 HG2 ARG 2 HG2 ARG 2 3.553 -3.756 -2.371 15 HG3 ARG 2 HG3 ARG 2 4.439 -3.141 -3.768 16 HD2 ARG 2 HD2 ARG 2 5.919 -5.009 -3.747 17 HD3 ARG 2 HD3 ARG 2 5.299 -5.556 -2.189 18 HE ARG 2 HE ARG 2 4.207 -6.125 -4.750 19 HH11 ARG 2 HH11 ARG 2 3.337 -5.516 -1.434 20 HH12 ARG 2 HH12 ARG 2 1.860 -6.417 -1.520 21 HH21 ARG 2 HH21 ARG 2 2.264 -7.314 -4.875 22 HH22 ARG 2 HH22 ARG 2 1.251 -7.440 -3.477 23 H ASP 3 H ASP 3 7.931 -0.875 -2.407 24 HA ASP 3 HA ASP 3 7.733 -0.126 -5.224 25 HB2 ASP 3 HB2 ASP 3 10.311 0.023 -3.732 26 HB3 ASP 3 HB3 ASP 3 9.645 1.121 -4.937 27 H GLY 4 H GLY 4 8.816 -1.154 -6.866 28 HA2 GLY 4 HA2 GLY 4 10.878 -2.900 -6.859 29 HA3 GLY 4 HA3 GLY 4 9.529 -3.911 -6.362 30 H TYR 5 H TYR 5 10.368 -4.957 -8.448 31 HA TYR 5 HA TYR 5 9.659 -3.697 -10.920 32 HB2 TYR 5 HB2 TYR 5 10.397 -6.554 -10.260 33 HB3 TYR 5 HB3 TYR 5 10.141 -5.953 -11.895 34 HD1 TYR 5 HD1 TYR 5 12.682 -7.230 -10.787 35 HD2 TYR 5 HD2 TYR 5 11.451 -3.173 -11.152 36 HE1 TYR 5 HE1 TYR 5 15.038 -6.531 -10.894 37 HE2 TYR 5 HE2 TYR 5 13.804 -2.463 -11.261 38 HH TYR 5 HH TYR 5 16.099 -3.814 -12.046 39 H ILE 6 H ILE 6 7.779 -3.735 -11.976 40 HA ILE 6 HA ILE 6 5.486 -4.956 -10.728 41 HB ILE 6 HB ILE 6 4.156 -3.731 -12.186 42 HG12 ILE 6 HG12 ILE 6 6.522 -3.638 -14.067 43 HG13 ILE 6 HG13 ILE 6 5.034 -4.550 -14.290 44 HG21 ILE 6 HG21 ILE 6 6.259 -1.751 -12.507 45 HG22 ILE 6 HG22 ILE 6 4.778 -1.685 -11.552 46 HG23 ILE 6 HG23 ILE 6 6.222 -2.449 -10.888 47 HD11 ILE 6 HD11 ILE 6 4.448 -1.769 -13.907 48 HD12 ILE 6 HD12 ILE 6 5.614 -1.986 -15.212 49 HD13 ILE 6 HD13 ILE 6 4.063 -2.823 -15.267 50 H ALA 7 H ALA 7 4.112 -6.504 -11.654 51 HA ALA 7 HA ALA 7 5.345 -8.123 -13.788 52 HB1 ALA 7 HB1 ALA 7 3.756 -9.054 -11.402 53 HB2 ALA 7 HB2 ALA 7 4.270 -10.091 -12.733 54 HB3 ALA 7 HB3 ALA 7 5.474 -9.317 -11.703 55 H ASP 8 H ASP 8 3.868 -9.303 -15.163 56 HA ASP 8 HA ASP 8 1.426 -7.774 -15.655 57 HB2 ASP 8 HB2 ASP 8 1.409 -8.944 -17.843 58 HB3 ASP 8 HB3 ASP 8 2.904 -8.055 -17.561 59 H ASP 9 H ASP 9 -0.149 -9.542 -16.973 60 HA ASP 9 HA ASP 9 -1.517 -10.856 -14.932 61 HB2 ASP 9 HB2 ASP 9 -1.584 -11.167 -17.929 62 HB3 ASP 9 HB3 ASP 9 -2.638 -12.103 -16.873 63 H LYS 10 H LYS 10 1.227 -11.840 -16.748 64 HA LYS 10 HA LYS 10 0.911 -14.631 -15.900 65 HB2 LYS 10 HB2 LYS 10 2.892 -13.402 -17.826 66 HB3 LYS 10 HB3 LYS 10 2.751 -15.116 -17.461 67 HG2 LYS 10 HG2 LYS 10 0.200 -14.093 -18.261 68 HG3 LYS 10 HG3 LYS 10 1.424 -13.661 -19.457 69 HD2 LYS 10 HD2 LYS 10 2.064 -15.950 -19.728 70 HD3 LYS 10 HD3 LYS 10 1.055 -16.448 -18.368 71 HE2 LYS 10 HE2 LYS 10 -0.922 -15.588 -19.677 72 HE3 LYS 10 HE3 LYS 10 0.164 -15.419 -21.055 73 HZ1 LYS 10 HZ1 LYS 10 -0.495 -17.508 -21.472 74 HZ2 LYS 10 HZ2 LYS 10 0.659 -17.933 -20.310 75 HZ3 LYS 10 HZ3 LYS 10 -0.972 -17.810 -19.877 76 H ASN 11 H ASN 11 1.690 -12.317 -14.166 77 HA ASN 11 HA ASN 11 3.207 -11.782 -12.550 78 HB2 ASN 11 HB2 ASN 11 2.445 -14.098 -11.882 79 HB3 ASN 11 HB3 ASN 11 3.908 -14.720 -12.640 80 HD21 ASN 11 HD21 ASN 11 5.634 -14.913 -11.409 81 HD22 ASN 11 HD22 ASN 11 5.888 -14.131 -9.889 82 H CYS 12 H CYS 12 4.123 -11.706 -15.350 83 HA CYS 12 HA CYS 12 6.972 -12.334 -15.068 84 HB2 CYS 12 HB2 CYS 12 5.324 -11.553 -17.481 85 HB3 CYS 12 HB3 CYS 12 7.064 -11.822 -17.517 86 H ALA 13 H ALA 13 8.521 -10.804 -14.961 87 HA ALA 13 HA ALA 13 7.878 -8.190 -14.171 88 HB1 ALA 13 HB1 ALA 13 10.500 -8.076 -15.081 89 HB2 ALA 13 HB2 ALA 13 9.964 -8.438 -13.440 90 HB3 ALA 13 HB3 ALA 13 10.278 -9.751 -14.576 91 H TYR 14 H TYR 14 7.745 -6.276 -15.232 92 HA TYR 14 HA TYR 14 7.150 -6.285 -17.994 93 HB2 TYR 14 HB2 TYR 14 7.358 -4.244 -15.854 94 HB3 TYR 14 HB3 TYR 14 7.531 -3.661 -17.506 95 HD1 TYR 14 HD1 TYR 14 5.364 -6.385 -16.178 96 HD2 TYR 14 HD2 TYR 14 5.548 -2.520 -17.948 97 HE1 TYR 14 HE1 TYR 14 2.917 -6.390 -16.429 98 HE2 TYR 14 HE2 TYR 14 3.102 -2.514 -18.203 99 HH TYR 14 HH TYR 14 1.098 -4.975 -16.772 100 H PHE 15 H PHE 15 8.811 -6.969 -19.273 101 HA PHE 15 HA PHE 15 11.497 -6.067 -18.976 102 HB2 PHE 15 HB2 PHE 15 10.308 -7.270 -21.472 103 HB3 PHE 15 HB3 PHE 15 11.981 -7.336 -20.929 104 HD1 PHE 15 HD1 PHE 15 11.694 -8.128 -18.131 105 HD2 PHE 15 HD2 PHE 15 9.604 -9.469 -21.588 106 HE1 PHE 15 HE1 PHE 15 11.251 -10.281 -17.024 107 HE2 PHE 15 HE2 PHE 15 9.157 -11.623 -20.487 108 HZ PHE 15 HZ PHE 15 9.980 -12.031 -18.202 109 H CYS 16 H CYS 16 10.850 -3.737 -18.884 110 HA CYS 16 HA CYS 16 10.034 -2.437 -21.301 111 HB2 CYS 16 HB2 CYS 16 10.468 -0.354 -20.072 112 HB3 CYS 16 HB3 CYS 16 9.509 -1.475 -19.111 113 H GLY 17 H GLY 17 11.542 -0.347 -21.801 114 HA2 GLY 17 HA2 GLY 17 14.331 -1.219 -22.041 115 HA3 GLY 17 HA3 GLY 17 13.445 -0.871 -23.518 116 H ARG 18 H ARG 18 11.930 1.313 -22.231 117 HA ARG 18 HA ARG 18 14.094 3.311 -22.153 118 HB2 ARG 18 HB2 ARG 18 11.491 3.243 -23.551 119 HB3 ARG 18 HB3 ARG 18 11.909 4.777 -22.800 120 HG2 ARG 18 HG2 ARG 18 13.981 3.455 -24.456 121 HG3 ARG 18 HG3 ARG 18 12.600 4.178 -25.284 122 HD2 ARG 18 HD2 ARG 18 13.078 6.259 -23.879 123 HD3 ARG 18 HD3 ARG 18 14.627 5.504 -23.507 124 HE ARG 18 HE ARG 18 14.292 5.484 -26.280 125 HH11 ARG 18 HH11 ARG 18 14.735 7.766 -23.688 126 HH12 ARG 18 HH12 ARG 18 15.533 8.939 -24.682 127 HH21 ARG 18 HH21 ARG 18 15.342 7.021 -27.600 128 HH22 ARG 18 HH22 ARG 18 15.877 8.515 -26.907 129 H ASN 19 H ASN 19 14.180 4.716 -20.486 130 HA ASN 19 HA ASN 19 12.948 4.165 -18.067 131 HB2 ASN 19 HB2 ASN 19 14.354 6.576 -19.160 132 HB3 ASN 19 HB3 ASN 19 13.573 6.668 -17.584 133 HD21 ASN 19 HD21 ASN 19 15.657 7.017 -16.690 134 HD22 ASN 19 HD22 ASN 19 16.730 5.690 -16.419 135 H ALA 20 H ALA 20 12.181 6.847 -20.292 136 HA ALA 20 HA ALA 20 10.021 7.923 -18.977 137 HB1 ALA 20 HB1 ALA 20 10.008 7.635 -21.962 138 HB2 ALA 20 HB2 ALA 20 9.441 8.981 -20.973 139 HB3 ALA 20 HB3 ALA 20 11.170 8.681 -21.146 140 H TYR 21 H TYR 21 10.011 5.220 -21.282 141 HA TYR 21 HA TYR 21 7.290 4.772 -21.456 142 HB2 TYR 21 HB2 TYR 21 8.589 3.496 -22.913 143 HB3 TYR 21 HB3 TYR 21 9.672 2.957 -21.635 144 HD1 TYR 21 HD1 TYR 21 6.473 2.381 -23.311 145 HD2 TYR 21 HD2 TYR 21 9.057 1.099 -20.183 146 HE1 TYR 21 HE1 TYR 21 5.188 0.294 -23.114 147 HE2 TYR 21 HE2 TYR 21 7.780 -0.993 -19.978 148 HH TYR 21 HH TYR 21 6.087 -2.200 -20.746 149 H CYS 22 H CYS 22 9.578 3.365 -19.120 150 HA CYS 22 HA CYS 22 7.745 1.834 -17.678 151 HB2 CYS 22 HB2 CYS 22 10.453 2.917 -17.201 152 HB3 CYS 22 HB3 CYS 22 9.534 2.514 -15.755 153 H ASP 23 H ASP 23 8.883 5.148 -17.060 154 HA ASP 23 HA ASP 23 7.483 5.696 -14.750 155 HB2 ASP 23 HB2 ASP 23 9.159 7.184 -15.930 156 HB3 ASP 23 HB3 ASP 23 7.847 7.684 -16.994 157 H GLU 24 H GLU 24 6.335 5.688 -18.072 158 HA GLU 24 HA GLU 24 3.815 6.882 -17.545 159 HB2 GLU 24 HB2 GLU 24 5.052 5.406 -19.810 160 HB3 GLU 24 HB3 GLU 24 3.297 5.492 -19.770 161 HG2 GLU 24 HG2 GLU 24 4.108 7.287 -21.108 162 HG3 GLU 24 HG3 GLU 24 3.471 7.959 -19.608 163 H GLU 25 H GLU 25 4.632 3.485 -18.280 164 HA GLU 25 HA GLU 25 2.143 2.393 -17.709 165 HB2 GLU 25 HB2 GLU 25 4.714 0.947 -17.117 166 HB3 GLU 25 HB3 GLU 25 3.193 0.281 -17.694 167 HG2 GLU 25 HG2 GLU 25 5.291 1.776 -19.199 168 HG3 GLU 25 HG3 GLU 25 4.536 0.227 -19.570 169 H CYS 26 H CYS 26 4.741 3.324 -15.565 170 HA CYS 26 HA CYS 26 3.876 1.953 -13.257 171 HB2 CYS 26 HB2 CYS 26 5.696 4.246 -13.814 172 HB3 CYS 26 HB3 CYS 26 5.152 4.014 -12.156 173 H LYS 27 H LYS 27 3.711 5.475 -13.772 174 HA LYS 27 HA LYS 27 1.883 6.038 -11.781 175 HB2 LYS 27 HB2 LYS 27 3.137 7.769 -12.968 176 HB3 LYS 27 HB3 LYS 27 2.230 7.440 -14.439 177 HG2 LYS 27 HG2 LYS 27 0.960 9.153 -13.766 178 HG3 LYS 27 HG3 LYS 27 0.218 7.959 -12.699 179 HD2 LYS 27 HD2 LYS 27 1.699 8.610 -10.893 180 HD3 LYS 27 HD3 LYS 27 2.539 9.740 -11.957 181 HE2 LYS 27 HE2 LYS 27 0.497 11.043 -12.206 182 HE3 LYS 27 HE3 LYS 27 -0.376 9.895 -11.192 183 HZ1 LYS 27 HZ1 LYS 27 0.672 10.624 -9.305 184 HZ2 LYS 27 HZ2 LYS 27 2.030 11.206 -10.130 185 HZ3 LYS 27 HZ3 LYS 27 0.577 12.071 -10.178 186 H LYS 28 H LYS 28 1.318 4.891 -15.046 187 HA LYS 28 HA LYS 28 -1.451 5.359 -15.177 188 HB2 LYS 28 HB2 LYS 28 0.359 3.381 -16.545 189 HB3 LYS 28 HB3 LYS 28 -1.372 3.415 -16.856 190 HG2 LYS 28 HG2 LYS 28 -0.227 6.055 -17.062 191 HG3 LYS 28 HG3 LYS 28 0.594 4.911 -18.126 192 HD2 LYS 28 HD2 LYS 28 -2.201 4.427 -18.298 193 HD3 LYS 28 HD3 LYS 28 -1.935 6.163 -18.476 194 HE2 LYS 28 HE2 LYS 28 -0.723 5.918 -20.404 195 HE3 LYS 28 HE3 LYS 28 -0.167 4.300 -19.978 196 HZ1 LYS 28 HZ1 LYS 28 -2.240 3.380 -20.571 197 HZ2 LYS 28 HZ2 LYS 28 -2.982 4.896 -20.690 198 HZ3 LYS 28 HZ3 LYS 28 -1.826 4.427 -21.833 199 H LYS 29 H LYS 29 0.424 2.894 -13.605 200 HA LYS 29 HA LYS 29 -1.941 1.264 -13.079 201 HB2 LYS 29 HB2 LYS 29 0.954 0.829 -13.078 202 HB3 LYS 29 HB3 LYS 29 0.145 0.111 -11.692 203 HG2 LYS 29 HG2 LYS 29 -1.436 -0.982 -13.307 204 HG3 LYS 29 HG3 LYS 29 -0.379 -0.419 -14.604 205 HD2 LYS 29 HD2 LYS 29 1.122 -1.731 -12.507 206 HD3 LYS 29 HD3 LYS 29 -0.138 -2.784 -13.156 207 HE2 LYS 29 HE2 LYS 29 2.007 -3.009 -14.354 208 HE3 LYS 29 HE3 LYS 29 0.695 -2.465 -15.399 209 HZ1 LYS 29 HZ1 LYS 29 1.514 -0.210 -15.216 210 HZ2 LYS 29 HZ2 LYS 29 2.753 -0.707 -14.176 211 HZ3 LYS 29 HZ3 LYS 29 2.741 -1.225 -15.787 212 H GLY 30 H GLY 30 -1.406 3.996 -11.910 213 HA2 GLY 30 HA2 GLY 30 -2.231 4.872 -9.900 214 HA3 GLY 30 HA3 GLY 30 -2.121 3.271 -9.183 215 H ALA 31 H ALA 31 0.694 3.025 -10.195 216 HA ALA 31 HA ALA 31 2.093 3.629 -7.922 217 HB1 ALA 31 HB1 ALA 31 3.311 3.762 -10.673 218 HB2 ALA 31 HB2 ALA 31 4.096 3.308 -9.160 219 HB3 ALA 31 HB3 ALA 31 2.878 2.251 -9.872 220 H GLU 32 H GLU 32 3.864 5.236 -7.619 221 HA GLU 32 HA GLU 32 2.838 7.898 -8.207 222 HB2 GLU 32 HB2 GLU 32 3.653 7.042 -5.896 223 HB3 GLU 32 HB3 GLU 32 5.266 7.322 -6.536 224 HG2 GLU 32 HG2 GLU 32 4.468 9.683 -7.060 225 HG3 GLU 32 HG3 GLU 32 3.093 9.318 -6.018 226 H SER 33 H SER 33 5.538 5.829 -8.978 227 HA SER 33 HA SER 33 6.244 7.128 -11.315 228 HB2 SER 33 HB2 SER 33 7.114 8.601 -9.062 229 HB3 SER 33 HB3 SER 33 8.550 7.848 -9.755 230 HG SER 33 HG SER 33 8.357 9.642 -10.932 231 H GLY 34 H GLY 34 8.427 6.434 -12.142 232 HA2 GLY 34 HA2 GLY 34 9.927 4.432 -10.828 233 HA3 GLY 34 HA3 GLY 34 8.738 3.672 -11.876 234 H TYR 35 H TYR 35 10.946 2.905 -12.725 235 HA TYR 35 HA TYR 35 11.462 4.382 -15.149 236 HB2 TYR 35 HB2 TYR 35 13.974 4.351 -14.707 237 HB3 TYR 35 HB3 TYR 35 13.037 5.562 -13.839 238 HD1 TYR 35 HD1 TYR 35 12.645 5.337 -11.428 239 HD2 TYR 35 HD2 TYR 35 15.060 2.544 -13.541 240 HE1 TYR 35 HE1 TYR 35 13.556 4.519 -9.294 241 HE2 TYR 35 HE2 TYR 35 15.976 1.717 -11.414 242 HH TYR 35 HH TYR 35 14.646 2.624 -8.364 243 H CYS 36 H CYS 36 13.626 3.167 -16.137 244 HA CYS 36 HA CYS 36 12.820 0.344 -16.201 245 HB2 CYS 36 HB2 CYS 36 12.972 1.943 -18.294 246 HB3 CYS 36 HB3 CYS 36 14.684 1.542 -18.210 247 H GLN 37 H GLN 37 13.988 -0.129 -14.242 248 HA GLN 37 HA GLN 37 16.817 0.241 -14.095 249 HB2 GLN 37 HB2 GLN 37 15.262 0.039 -12.122 250 HB3 GLN 37 HB3 GLN 37 15.136 -1.678 -12.481 251 HG2 GLN 37 HG2 GLN 37 17.600 -1.852 -12.213 252 HG3 GLN 37 HG3 GLN 37 17.614 -0.168 -11.694 253 HE21 GLN 37 HE21 GLN 37 15.287 -0.135 -10.177 254 HE22 GLN 37 HE22 GLN 37 15.522 -1.115 -8.774 255 H TRP 38 H TRP 38 17.875 -0.714 -15.778 256 HA TRP 38 HA TRP 38 17.298 -3.413 -16.594 257 HB2 TRP 38 HB2 TRP 38 19.256 -3.096 -18.106 258 HB3 TRP 38 HB3 TRP 38 18.033 -1.840 -18.273 259 HD1 TRP 38 HD1 TRP 38 21.218 -2.225 -16.063 260 HE1 TRP 38 HE1 TRP 38 22.506 0.002 -16.155 261 HE3 TRP 38 HE3 TRP 38 18.095 0.392 -19.152 262 HZ2 TRP 38 HZ2 TRP 38 22.233 2.533 -17.374 263 HZ3 TRP 38 HZ3 TRP 38 18.681 2.710 -19.731 264 HH2 TRP 38 HH2 TRP 38 20.707 3.757 -18.859 265 H ALA 39 H ALA 39 19.222 -4.965 -16.823 266 HA ALA 39 HA ALA 39 20.577 -6.431 -15.715 267 HB1 ALA 39 HB1 ALA 39 22.643 -5.591 -15.407 268 HB2 ALA 39 HB2 ALA 39 21.937 -4.129 -16.096 269 HB3 ALA 39 HB3 ALA 39 22.077 -4.301 -14.346 270 H GLY 40 H GLY 40 18.150 -5.639 -14.324 271 HA2 GLY 40 HA2 GLY 40 18.812 -5.329 -11.537 272 HA3 GLY 40 HA3 GLY 40 17.210 -5.599 -12.207 273 H GLN 41 H GLN 41 16.968 -7.029 -10.336 274 HA GLN 41 HA GLN 41 18.466 -9.288 -9.811 275 HB2 GLN 41 HB2 GLN 41 15.488 -9.450 -9.612 276 HB3 GLN 41 HB3 GLN 41 16.714 -10.005 -8.480 277 HG2 GLN 41 HG2 GLN 41 17.154 -7.356 -8.377 278 HG3 GLN 41 HG3 GLN 41 15.429 -7.372 -8.744 279 HE21 GLN 41 HE21 GLN 41 17.795 -7.730 -6.355 280 HE22 GLN 41 HE22 GLN 41 16.763 -8.223 -5.060 281 H TYR 42 H TYR 42 15.483 -9.187 -11.770 282 HA TYR 42 HA TYR 42 16.280 -11.721 -13.008 283 HB2 TYR 42 HB2 TYR 42 13.660 -10.501 -13.667 284 HB3 TYR 42 HB3 TYR 42 14.070 -12.179 -13.331 285 HD1 TYR 42 HD1 TYR 42 13.832 -13.089 -11.147 286 HD2 TYR 42 HD2 TYR 42 13.329 -8.911 -11.776 287 HE1 TYR 42 HE1 TYR 42 12.906 -12.865 -8.879 288 HE2 TYR 42 HE2 TYR 42 12.403 -8.675 -9.509 289 HH TYR 42 HH TYR 42 11.752 -9.733 -7.667 290 H GLY 43 H GLY 43 17.547 -9.168 -13.678 291 HA2 GLY 43 HA2 GLY 43 18.486 -8.529 -15.735 292 HA3 GLY 43 HA3 GLY 43 17.158 -9.328 -16.565 293 H ASN 44 H ASN 44 16.301 -7.788 -17.822 294 HA ASN 44 HA ASN 44 16.031 -5.066 -16.892 295 HB2 ASN 44 HB2 ASN 44 15.583 -6.505 -19.465 296 HB3 ASN 44 HB3 ASN 44 14.719 -4.992 -19.208 297 HD21 ASN 44 HD21 ASN 44 17.955 -5.988 -18.192 298 HD22 ASN 44 HD22 ASN 44 18.795 -4.730 -19.027 299 H ALA 45 H ALA 45 14.511 -4.804 -15.356 300 HA ALA 45 HA ALA 45 11.770 -5.636 -16.032 301 HB1 ALA 45 HB1 ALA 45 11.504 -5.838 -13.456 302 HB2 ALA 45 HB2 ALA 45 12.237 -7.162 -14.361 303 HB3 ALA 45 HB3 ALA 45 13.256 -6.032 -13.469 304 H CYS 46 H CYS 46 10.198 -4.144 -15.699 305 HA CYS 46 HA CYS 46 10.939 -1.429 -15.398 306 HB2 CYS 46 HB2 CYS 46 8.899 -2.470 -16.624 307 HB3 CYS 46 HB3 CYS 46 8.123 -2.415 -15.045 308 H TRP 47 H TRP 47 11.233 -0.261 -13.624 309 HA TRP 47 HA TRP 47 10.451 -1.402 -11.045 310 HB2 TRP 47 HB2 TRP 47 12.769 -0.782 -11.171 311 HB3 TRP 47 HB3 TRP 47 12.363 0.819 -11.782 312 HD1 TRP 47 HD1 TRP 47 11.394 2.602 -10.005 313 HE1 TRP 47 HE1 TRP 47 11.616 2.734 -7.444 314 HE3 TRP 47 HE3 TRP 47 12.916 -2.189 -9.072 315 HZ2 TRP 47 HZ2 TRP 47 12.340 1.034 -5.311 316 HZ3 TRP 47 HZ3 TRP 47 13.353 -2.856 -6.744 317 HH2 TRP 47 HH2 TRP 47 13.071 -1.276 -4.904 318 H CYS 48 H CYS 48 9.046 -0.436 -9.664 319 HA CYS 48 HA CYS 48 7.907 2.157 -10.457 320 HB2 CYS 48 HB2 CYS 48 6.497 -0.424 -9.930 321 HB3 CYS 48 HB3 CYS 48 5.711 1.078 -9.453 322 H TYR 49 H TYR 49 6.793 3.282 -8.696 323 HA TYR 49 HA TYR 49 7.992 2.623 -6.086 324 HB2 TYR 49 HB2 TYR 49 7.494 5.226 -7.473 325 HB3 TYR 49 HB3 TYR 49 7.468 5.181 -5.714 326 HD1 TYR 49 HD1 TYR 49 9.524 5.370 -8.625 327 HD2 TYR 49 HD2 TYR 49 9.531 4.226 -4.527 328 HE1 TYR 49 HE1 TYR 49 11.979 5.524 -8.593 329 HE2 TYR 49 HE2 TYR 49 11.986 4.378 -4.483 330 HH TYR 49 HH TYR 49 13.803 5.152 -5.609 331 H LYS 50 H LYS 50 6.714 2.464 -4.321 332 HA LYS 50 HA LYS 50 4.793 2.015 -3.168 333 HB2 LYS 50 HB2 LYS 50 3.859 4.568 -4.489 334 HB3 LYS 50 HB3 LYS 50 3.259 3.883 -2.985 335 HG2 LYS 50 HG2 LYS 50 6.131 4.319 -2.943 336 HG3 LYS 50 HG3 LYS 50 5.216 5.799 -3.238 337 HD2 LYS 50 HD2 LYS 50 5.343 5.712 -0.918 338 HD3 LYS 50 HD3 LYS 50 3.755 5.018 -1.255 339 HE2 LYS 50 HE2 LYS 50 4.494 3.404 0.146 340 HE3 LYS 50 HE3 LYS 50 5.238 2.787 -1.328 341 HZ1 LYS 50 HZ1 LYS 50 7.288 3.289 -0.605 342 HZ2 LYS 50 HZ2 LYS 50 6.810 4.732 0.137 343 HZ3 LYS 50 HZ3 LYS 50 6.576 3.256 0.930 344 H LEU 51 H LEU 51 4.742 0.352 -5.169 345 HA LEU 51 HA LEU 51 2.602 0.640 -7.009 346 HB2 LEU 51 HB2 LEU 51 4.371 -1.582 -6.126 347 HB3 LEU 51 HB3 LEU 51 2.904 -1.983 -7.016 348 HG LEU 51 HG LEU 51 5.162 -0.235 -7.993 349 HD11 LEU 51 HD11 LEU 51 4.493 -2.603 -9.527 350 HD12 LEU 51 HD12 LEU 51 6.056 -2.041 -8.937 351 HD13 LEU 51 HD13 LEU 51 5.006 -2.991 -7.886 352 HD21 LEU 51 HD21 LEU 51 2.589 -1.078 -9.323 353 HD22 LEU 51 HD22 LEU 51 3.061 0.561 -8.873 354 HD23 LEU 51 HD23 LEU 51 3.940 -0.293 -10.141 355 HA PRO 52 HA PRO 52 -0.879 -0.386 -4.522 356 HB2 PRO 52 HB2 PRO 52 -2.534 -1.352 -6.445 357 HB3 PRO 52 HB3 PRO 52 -2.166 0.368 -6.270 358 HG2 PRO 52 HG2 PRO 52 -1.000 -1.635 -8.165 359 HG3 PRO 52 HG3 PRO 52 -1.507 0.035 -8.475 360 HD2 PRO 52 HD2 PRO 52 1.085 -0.655 -8.110 361 HD3 PRO 52 HD3 PRO 52 0.437 0.920 -7.610 362 H ASP 53 H ASP 53 -1.484 -2.083 -3.312 363 HA ASP 53 HA ASP 53 -0.228 -4.520 -3.330 364 HB2 ASP 53 HB2 ASP 53 -1.926 -3.393 -1.633 365 HB3 ASP 53 HB3 ASP 53 -3.078 -4.451 -2.443 366 H LYS 54 H LYS 54 -2.899 -3.473 -5.280 367 HA LYS 54 HA LYS 54 -3.868 -6.014 -6.063 368 HB2 LYS 54 HB2 LYS 54 -3.980 -3.390 -7.562 369 HB3 LYS 54 HB3 LYS 54 -4.959 -4.810 -7.903 370 HG2 LYS 54 HG2 LYS 54 -6.271 -4.524 -6.033 371 HG3 LYS 54 HG3 LYS 54 -5.041 -3.583 -5.186 372 HD2 LYS 54 HD2 LYS 54 -6.524 -1.926 -5.763 373 HD3 LYS 54 HD3 LYS 54 -5.436 -1.888 -7.152 374 HE2 LYS 54 HE2 LYS 54 -7.520 -1.892 -8.156 375 HE3 LYS 54 HE3 LYS 54 -7.089 -3.601 -8.177 376 HZ1 LYS 54 HZ1 LYS 54 -8.362 -3.193 -5.773 377 HZ2 LYS 54 HZ2 LYS 54 -9.277 -2.320 -6.897 378 HZ3 LYS 54 HZ3 LYS 54 -8.995 -3.971 -7.136 379 H VAL 55 H VAL 55 -1.425 -3.848 -7.420 380 HA VAL 55 HA VAL 55 -0.869 -5.673 -9.607 381 HB VAL 55 HB VAL 55 0.500 -3.098 -8.815 382 HG11 VAL 55 HG11 VAL 55 1.351 -5.159 -10.559 383 HG12 VAL 55 HG12 VAL 55 0.866 -3.786 -11.553 384 HG13 VAL 55 HG13 VAL 55 2.084 -3.577 -10.294 385 HG21 VAL 55 HG21 VAL 55 -1.144 -3.357 -11.271 386 HG22 VAL 55 HG22 VAL 55 -1.992 -3.255 -9.728 387 HG23 VAL 55 HG23 VAL 55 -0.893 -1.966 -10.216 388 HA PRO 56 HA PRO 56 2.033 -7.834 -6.935 389 HB2 PRO 56 HB2 PRO 56 2.480 -9.863 -8.682 390 HB3 PRO 56 HB3 PRO 56 1.048 -9.782 -7.649 391 HG2 PRO 56 HG2 PRO 56 1.349 -9.032 -10.532 392 HG3 PRO 56 HG3 PRO 56 0.034 -9.919 -9.738 393 HD2 PRO 56 HD2 PRO 56 -0.150 -7.290 -10.361 394 HD3 PRO 56 HD3 PRO 56 -0.953 -7.994 -8.943 395 H ILE 57 H ILE 57 4.277 -8.630 -7.243 396 HA ILE 57 HA ILE 57 5.681 -7.113 -9.346 397 HB ILE 57 HB ILE 57 7.588 -6.903 -7.768 398 HG12 ILE 57 HG12 ILE 57 5.890 -7.394 -5.411 399 HG13 ILE 57 HG13 ILE 57 6.321 -8.840 -6.317 400 HG21 ILE 57 HG21 ILE 57 6.799 -4.891 -7.241 401 HG22 ILE 57 HG22 ILE 57 5.248 -5.412 -7.899 402 HG23 ILE 57 HG23 ILE 57 5.574 -5.579 -6.174 403 HD11 ILE 57 HD11 ILE 57 8.378 -8.828 -5.499 404 HD12 ILE 57 HD12 ILE 57 8.608 -7.129 -5.912 405 HD13 ILE 57 HD13 ILE 57 7.840 -7.569 -4.387 406 H LYS 58 H LYS 58 7.749 -8.000 -10.016 407 HA LYS 58 HA LYS 58 7.609 -10.761 -10.573 408 HB2 LYS 58 HB2 LYS 58 8.759 -9.266 -12.082 409 HB3 LYS 58 HB3 LYS 58 9.894 -8.799 -10.823 410 HG2 LYS 58 HG2 LYS 58 10.981 -10.317 -12.314 411 HG3 LYS 58 HG3 LYS 58 10.722 -11.136 -10.772 412 HD2 LYS 58 HD2 LYS 58 8.490 -11.905 -11.961 413 HD3 LYS 58 HD3 LYS 58 9.440 -11.603 -13.418 414 HE2 LYS 58 HE2 LYS 58 11.227 -13.067 -12.439 415 HE3 LYS 58 HE3 LYS 58 10.093 -13.482 -11.154 416 HZ1 LYS 58 HZ1 LYS 58 10.336 -14.811 -13.481 417 HZ2 LYS 58 HZ2 LYS 58 8.963 -14.847 -12.493 418 HZ3 LYS 58 HZ3 LYS 58 9.027 -13.792 -13.815 419 H VAL 59 H VAL 59 8.492 -12.511 -9.615 420 HA VAL 59 HA VAL 59 10.459 -12.166 -7.488 421 HB VAL 59 HB VAL 59 9.172 -13.693 -5.982 422 HG11 VAL 59 HG11 VAL 59 8.220 -11.938 -4.904 423 HG12 VAL 59 HG12 VAL 59 9.134 -11.027 -6.106 424 HG13 VAL 59 HG13 VAL 59 7.416 -11.339 -6.355 425 HG21 VAL 59 HG21 VAL 59 7.652 -14.737 -7.476 426 HG22 VAL 59 HG22 VAL 59 6.683 -13.750 -6.383 427 HG23 VAL 59 HG23 VAL 59 7.015 -13.185 -8.020 428 H SER 60 H SER 60 11.699 -14.005 -7.064 429 HA SER 60 HA SER 60 12.317 -15.660 -9.175 430 HB2 SER 60 HB2 SER 60 13.472 -15.233 -6.813 431 HB3 SER 60 HB3 SER 60 12.683 -16.762 -6.428 432 HG SER 60 HG SER 60 14.524 -17.443 -7.290 433 H GLY 61 H GLY 61 11.565 -17.529 -9.993 434 HA2 GLY 61 HA2 GLY 61 10.354 -19.646 -8.827 435 HA3 GLY 61 HA3 GLY 61 9.026 -18.511 -9.017 436 H LYS 62 H LYS 62 7.877 -18.750 -10.803 437 HA LYS 62 HA LYS 62 9.153 -19.281 -13.340 438 HB2 LYS 62 HB2 LYS 62 7.708 -21.367 -11.835 439 HB3 LYS 62 HB3 LYS 62 7.231 -21.198 -13.520 440 HG2 LYS 62 HG2 LYS 62 10.045 -21.643 -12.545 441 HG3 LYS 62 HG3 LYS 62 8.980 -22.883 -13.210 442 HD2 LYS 62 HD2 LYS 62 8.835 -21.487 -15.298 443 HD3 LYS 62 HD3 LYS 62 10.110 -20.472 -14.621 444 HE2 LYS 62 HE2 LYS 62 11.325 -21.944 -15.912 445 HE3 LYS 62 HE3 LYS 62 11.374 -22.733 -14.336 446 HZ1 LYS 62 HZ1 LYS 62 10.849 -24.264 -16.169 447 HZ2 LYS 62 HZ2 LYS 62 9.616 -24.198 -15.012 448 HZ3 LYS 62 HZ3 LYS 62 9.436 -23.390 -16.488 449 H CYS 63 H CYS 63 8.179 -18.031 -14.782 450 HA CYS 63 HA CYS 63 5.968 -16.450 -14.311 451 HB2 CYS 63 HB2 CYS 63 7.548 -17.220 -16.663 452 HB3 CYS 63 HB3 CYS 63 5.894 -16.750 -17.038 453 H ASN 64 H ASN 64 3.791 -16.553 -14.825 454 HA ASN 64 HA ASN 64 2.626 -19.165 -14.744 455 HB2 ASN 64 HB2 ASN 64 1.460 -16.390 -14.959 456 HB3 ASN 64 HB3 ASN 64 0.458 -17.838 -14.961 457 HD21 ASN 64 HD21 ASN 64 -0.383 -18.267 -13.068 458 HD22 ASN 64 HD22 ASN 64 0.346 -17.966 -11.531 Start of MODEL 13 1 H1 VAL 1 H VAL 1 1.841 0.757 0.785 2 HA VAL 1 HA VAL 1 1.766 -0.409 -1.921 3 HB VAL 1 HB VAL 1 3.146 1.685 -2.551 4 HG11 VAL 1 HG11 VAL 1 0.843 1.145 -3.316 5 HG12 VAL 1 HG12 VAL 1 0.217 2.044 -1.933 6 HG13 VAL 1 HG13 VAL 1 1.156 2.875 -3.174 7 HG21 VAL 1 HG21 VAL 1 3.260 2.329 -0.056 8 HG22 VAL 1 HG22 VAL 1 2.968 3.602 -1.242 9 HG23 VAL 1 HG23 VAL 1 1.628 2.950 -0.298 10 H ARG 2 H ARG 2 4.038 -0.240 -2.963 11 HA ARG 2 HA ARG 2 6.300 -0.341 -1.225 12 HB2 ARG 2 HB2 ARG 2 6.847 -2.742 -1.674 13 HB3 ARG 2 HB3 ARG 2 5.461 -2.502 -0.618 14 HG2 ARG 2 HG2 ARG 2 4.050 -3.491 -2.043 15 HG3 ARG 2 HG3 ARG 2 4.779 -2.720 -3.454 16 HD2 ARG 2 HD2 ARG 2 5.861 -4.594 -3.948 17 HD3 ARG 2 HD3 ARG 2 6.637 -4.587 -2.365 18 HE ARG 2 HE ARG 2 4.420 -6.207 -3.199 19 HH11 ARG 2 HH11 ARG 2 6.018 -4.745 -0.474 20 HH12 ARG 2 HH12 ARG 2 5.397 -5.889 0.670 21 HH21 ARG 2 HH21 ARG 2 3.596 -7.720 -1.703 22 HH22 ARG 2 HH22 ARG 2 4.021 -7.581 -0.030 23 H ASP 3 H ASP 3 8.276 -0.511 -2.356 24 HA ASP 3 HA ASP 3 8.034 0.164 -5.182 25 HB2 ASP 3 HB2 ASP 3 10.657 0.103 -3.746 26 HB3 ASP 3 HB3 ASP 3 10.099 1.194 -5.012 27 H GLY 4 H GLY 4 8.867 -1.021 -6.843 28 HA2 GLY 4 HA2 GLY 4 10.782 -2.996 -6.783 29 HA3 GLY 4 HA3 GLY 4 9.279 -3.813 -6.382 30 H TYR 5 H TYR 5 10.267 -4.832 -8.506 31 HA TYR 5 HA TYR 5 9.582 -3.392 -10.914 32 HB2 TYR 5 HB2 TYR 5 10.488 -6.251 -10.513 33 HB3 TYR 5 HB3 TYR 5 10.316 -5.449 -12.071 34 HD1 TYR 5 HD1 TYR 5 12.553 -6.243 -9.466 35 HD2 TYR 5 HD2 TYR 5 11.696 -3.233 -12.348 36 HE1 TYR 5 HE1 TYR 5 14.866 -5.426 -9.291 37 HE2 TYR 5 HE2 TYR 5 14.007 -2.408 -12.182 38 HH TYR 5 HH TYR 5 16.201 -3.566 -9.744 39 H ILE 6 H ILE 6 7.742 -3.526 -12.040 40 HA ILE 6 HA ILE 6 5.513 -4.955 -10.926 41 HB ILE 6 HB ILE 6 4.154 -3.803 -12.414 42 HG12 ILE 6 HG12 ILE 6 6.572 -3.525 -14.209 43 HG13 ILE 6 HG13 ILE 6 5.155 -4.530 -14.495 44 HG21 ILE 6 HG21 ILE 6 5.997 -2.399 -10.986 45 HG22 ILE 6 HG22 ILE 6 6.197 -1.714 -12.599 46 HG23 ILE 6 HG23 ILE 6 4.615 -1.691 -11.821 47 HD11 ILE 6 HD11 ILE 6 4.085 -2.853 -15.463 48 HD12 ILE 6 HD12 ILE 6 4.402 -1.781 -14.099 49 HD13 ILE 6 HD13 ILE 6 5.592 -1.939 -15.391 50 H ALA 7 H ALA 7 4.290 -6.583 -11.926 51 HA ALA 7 HA ALA 7 5.720 -8.076 -14.029 52 HB1 ALA 7 HB1 ALA 7 4.268 -9.056 -11.595 53 HB2 ALA 7 HB2 ALA 7 4.526 -10.098 -12.994 54 HB3 ALA 7 HB3 ALA 7 5.908 -9.421 -12.132 55 H ASP 8 H ASP 8 4.327 -9.450 -15.388 56 HA ASP 8 HA ASP 8 1.855 -8.028 -16.039 57 HB2 ASP 8 HB2 ASP 8 1.969 -9.364 -18.162 58 HB3 ASP 8 HB3 ASP 8 3.343 -8.293 -17.903 59 H ASP 9 H ASP 9 0.348 -9.850 -17.299 60 HA ASP 9 HA ASP 9 -0.984 -11.180 -15.239 61 HB2 ASP 9 HB2 ASP 9 -1.083 -11.378 -18.232 62 HB3 ASP 9 HB3 ASP 9 -2.013 -12.500 -17.242 63 H LYS 10 H LYS 10 1.783 -12.094 -17.044 64 HA LYS 10 HA LYS 10 1.522 -14.901 -16.236 65 HB2 LYS 10 HB2 LYS 10 3.544 -13.614 -18.079 66 HB3 LYS 10 HB3 LYS 10 3.372 -15.338 -17.775 67 HG2 LYS 10 HG2 LYS 10 0.867 -14.214 -18.627 68 HG3 LYS 10 HG3 LYS 10 2.148 -13.831 -19.780 69 HD2 LYS 10 HD2 LYS 10 2.606 -16.079 -20.201 70 HD3 LYS 10 HD3 LYS 10 1.816 -16.615 -18.716 71 HE2 LYS 10 HE2 LYS 10 0.430 -15.437 -21.123 72 HE3 LYS 10 HE3 LYS 10 0.487 -17.149 -20.708 73 HZ1 LYS 10 HZ1 LYS 10 -0.565 -16.426 -18.523 74 HZ2 LYS 10 HZ2 LYS 10 -0.916 -14.964 -19.299 75 HZ3 LYS 10 HZ3 LYS 10 -1.551 -16.414 -19.897 76 H ASN 11 H ASN 11 2.207 -12.597 -14.450 77 HA ASN 11 HA ASN 11 3.659 -12.068 -12.775 78 HB2 ASN 11 HB2 ASN 11 3.000 -14.513 -12.303 79 HB3 ASN 11 HB3 ASN 11 4.604 -14.925 -12.901 80 HD21 ASN 11 HD21 ASN 11 6.236 -14.879 -11.520 81 HD22 ASN 11 HD22 ASN 11 6.200 -14.170 -9.945 82 H CYS 12 H CYS 12 4.618 -11.874 -15.565 83 HA CYS 12 HA CYS 12 7.493 -12.342 -15.220 84 HB2 CYS 12 HB2 CYS 12 5.682 -12.099 -17.560 85 HB3 CYS 12 HB3 CYS 12 7.315 -11.469 -17.756 86 H ALA 13 H ALA 13 8.957 -10.713 -15.151 87 HA ALA 13 HA ALA 13 8.143 -8.151 -14.342 88 HB1 ALA 13 HB1 ALA 13 10.787 -8.003 -15.364 89 HB2 ALA 13 HB2 ALA 13 10.260 -8.095 -13.684 90 HB3 ALA 13 HB3 ALA 13 10.586 -9.574 -14.587 91 H TYR 14 H TYR 14 7.993 -6.207 -15.387 92 HA TYR 14 HA TYR 14 7.337 -6.246 -18.145 93 HB2 TYR 14 HB2 TYR 14 7.457 -4.216 -15.994 94 HB3 TYR 14 HB3 TYR 14 7.619 -3.605 -17.637 95 HD1 TYR 14 HD1 TYR 14 5.599 -2.547 -18.100 96 HD2 TYR 14 HD2 TYR 14 5.549 -6.420 -16.340 97 HE1 TYR 14 HE1 TYR 14 3.156 -2.634 -18.376 98 HE2 TYR 14 HE2 TYR 14 3.107 -6.519 -16.612 99 HH TYR 14 HH TYR 14 1.404 -4.783 -18.587 100 H PHE 15 H PHE 15 9.022 -6.863 -19.431 101 HA PHE 15 HA PHE 15 11.665 -5.835 -19.164 102 HB2 PHE 15 HB2 PHE 15 10.517 -7.074 -21.662 103 HB3 PHE 15 HB3 PHE 15 12.189 -7.085 -21.112 104 HD1 PHE 15 HD1 PHE 15 9.888 -9.293 -21.794 105 HD2 PHE 15 HD2 PHE 15 11.919 -7.906 -18.320 106 HE1 PHE 15 HE1 PHE 15 9.510 -11.469 -20.709 107 HE2 PHE 15 HE2 PHE 15 11.545 -10.080 -17.230 108 HZ PHE 15 HZ PHE 15 10.340 -11.865 -18.424 109 H CYS 16 H CYS 16 10.990 -3.537 -19.065 110 HA CYS 16 HA CYS 16 10.079 -2.272 -21.480 111 HB2 CYS 16 HB2 CYS 16 10.406 -0.173 -20.241 112 HB3 CYS 16 HB3 CYS 16 9.489 -1.341 -19.296 113 H GLY 17 H GLY 17 11.429 -0.190 -22.117 114 HA2 GLY 17 HA2 GLY 17 14.296 -0.739 -22.167 115 HA3 GLY 17 HA3 GLY 17 13.465 -0.758 -23.716 116 H ARG 18 H ARG 18 12.149 1.410 -21.444 117 HA ARG 18 HA ARG 18 13.834 3.643 -22.179 118 HB2 ARG 18 HB2 ARG 18 11.512 3.053 -23.707 119 HB3 ARG 18 HB3 ARG 18 11.168 4.491 -22.756 120 HG2 ARG 18 HG2 ARG 18 13.232 5.524 -23.636 121 HG3 ARG 18 HG3 ARG 18 13.470 4.104 -24.655 122 HD2 ARG 18 HD2 ARG 18 10.860 5.533 -24.772 123 HD3 ARG 18 HD3 ARG 18 12.257 6.257 -25.567 124 HE ARG 18 HE ARG 18 12.209 3.649 -26.419 125 HH11 ARG 18 HH11 ARG 18 10.019 6.354 -26.508 126 HH12 ARG 18 HH12 ARG 18 9.260 5.858 -27.984 127 HH21 ARG 18 HH21 ARG 18 11.217 2.986 -28.363 128 HH22 ARG 18 HH22 ARG 18 9.941 3.942 -29.038 129 H ASN 19 H ASN 19 13.768 5.261 -20.695 130 HA ASN 19 HA ASN 19 12.691 4.777 -18.163 131 HB2 ASN 19 HB2 ASN 19 14.610 6.318 -18.724 132 HB3 ASN 19 HB3 ASN 19 13.417 7.496 -19.263 133 HD21 ASN 19 HD21 ASN 19 15.386 6.925 -16.846 134 HD22 ASN 19 HD22 ASN 19 14.469 7.517 -15.507 135 H ALA 20 H ALA 20 11.676 7.279 -20.499 136 HA ALA 20 HA ALA 20 9.433 8.196 -19.198 137 HB1 ALA 20 HB1 ALA 20 8.724 9.114 -21.245 138 HB2 ALA 20 HB2 ALA 20 10.484 9.058 -21.345 139 HB3 ALA 20 HB3 ALA 20 9.514 7.845 -22.182 140 H TYR 21 H TYR 21 9.687 5.422 -21.392 141 HA TYR 21 HA TYR 21 7.015 4.740 -21.600 142 HB2 TYR 21 HB2 TYR 21 8.522 3.553 -22.968 143 HB3 TYR 21 HB3 TYR 21 9.521 3.072 -21.601 144 HD1 TYR 21 HD1 TYR 21 6.456 2.372 -23.482 145 HD2 TYR 21 HD2 TYR 21 8.898 1.189 -20.205 146 HE1 TYR 21 HE1 TYR 21 5.240 0.237 -23.355 147 HE2 TYR 21 HE2 TYR 21 7.690 -0.950 -20.069 148 HH TYR 21 HH TYR 21 5.557 -1.902 -20.709 149 H CYS 22 H CYS 22 9.361 3.513 -19.212 150 HA CYS 22 HA CYS 22 7.591 1.959 -17.727 151 HB2 CYS 22 HB2 CYS 22 10.253 3.157 -17.285 152 HB3 CYS 22 HB3 CYS 22 9.349 2.779 -15.822 153 H ASP 23 H ASP 23 8.587 5.333 -17.196 154 HA ASP 23 HA ASP 23 7.188 5.903 -14.904 155 HB2 ASP 23 HB2 ASP 23 8.743 7.447 -16.136 156 HB3 ASP 23 HB3 ASP 23 7.427 7.788 -17.255 157 H GLU 24 H GLU 24 5.977 5.723 -18.205 158 HA GLU 24 HA GLU 24 3.394 6.762 -17.645 159 HB2 GLU 24 HB2 GLU 24 4.436 5.042 -19.896 160 HB3 GLU 24 HB3 GLU 24 2.789 5.654 -19.834 161 HG2 GLU 24 HG2 GLU 24 5.041 7.578 -19.569 162 HG3 GLU 24 HG3 GLU 24 4.661 6.919 -21.159 163 H GLU 25 H GLU 25 4.467 3.416 -18.276 164 HA GLU 25 HA GLU 25 2.040 2.187 -17.622 165 HB2 GLU 25 HB2 GLU 25 4.709 0.881 -17.161 166 HB3 GLU 25 HB3 GLU 25 3.200 0.140 -17.676 167 HG2 GLU 25 HG2 GLU 25 5.136 1.770 -19.264 168 HG3 GLU 25 HG3 GLU 25 4.490 0.165 -19.600 169 H CYS 26 H CYS 26 4.658 3.326 -15.625 170 HA CYS 26 HA CYS 26 4.052 1.899 -13.271 171 HB2 CYS 26 HB2 CYS 26 5.588 4.380 -13.909 172 HB3 CYS 26 HB3 CYS 26 5.192 4.048 -12.226 173 H LYS 27 H LYS 27 3.453 5.361 -13.887 174 HA LYS 27 HA LYS 27 1.743 5.821 -11.769 175 HB2 LYS 27 HB2 LYS 27 2.565 7.689 -12.981 176 HB3 LYS 27 HB3 LYS 27 1.903 7.092 -14.497 177 HG2 LYS 27 HG2 LYS 27 -0.358 7.493 -13.678 178 HG3 LYS 27 HG3 LYS 27 0.297 8.076 -12.147 179 HD2 LYS 27 HD2 LYS 27 0.817 9.301 -14.856 180 HD3 LYS 27 HD3 LYS 27 -0.318 9.920 -13.653 181 HE2 LYS 27 HE2 LYS 27 1.643 10.073 -12.069 182 HE3 LYS 27 HE3 LYS 27 2.682 9.742 -13.455 183 HZ1 LYS 27 HZ1 LYS 27 2.498 12.108 -13.058 184 HZ2 LYS 27 HZ2 LYS 27 1.785 11.714 -14.541 185 HZ3 LYS 27 HZ3 LYS 27 0.813 12.036 -13.194 186 H LYS 28 H LYS 28 0.932 4.762 -15.056 187 HA LYS 28 HA LYS 28 -1.846 4.767 -14.807 188 HB2 LYS 28 HB2 LYS 28 0.000 3.058 -16.472 189 HB3 LYS 28 HB3 LYS 28 -1.751 2.978 -16.610 190 HG2 LYS 28 HG2 LYS 28 -1.036 5.701 -16.778 191 HG3 LYS 28 HG3 LYS 28 0.065 4.804 -17.827 192 HD2 LYS 28 HD2 LYS 28 -2.859 4.206 -17.917 193 HD3 LYS 28 HD3 LYS 28 -2.245 5.647 -18.731 194 HE2 LYS 28 HE2 LYS 28 -0.486 3.929 -19.688 195 HE3 LYS 28 HE3 LYS 28 -1.761 2.769 -19.323 196 HZ1 LYS 28 HZ1 LYS 28 -3.262 4.340 -20.615 197 HZ2 LYS 28 HZ2 LYS 28 -1.842 5.054 -21.195 198 HZ3 LYS 28 HZ3 LYS 28 -2.157 3.422 -21.509 199 H LYS 29 H LYS 29 0.523 2.607 -13.519 200 HA LYS 29 HA LYS 29 -1.466 0.570 -12.882 201 HB2 LYS 29 HB2 LYS 29 1.528 0.717 -12.621 202 HB3 LYS 29 HB3 LYS 29 0.603 -0.544 -11.816 203 HG2 LYS 29 HG2 LYS 29 0.184 -0.105 -14.729 204 HG3 LYS 29 HG3 LYS 29 1.650 -0.927 -14.189 205 HD2 LYS 29 HD2 LYS 29 -0.138 -2.273 -12.734 206 HD3 LYS 29 HD3 LYS 29 -1.181 -1.807 -14.079 207 HE2 LYS 29 HE2 LYS 29 1.500 -2.963 -14.673 208 HE3 LYS 29 HE3 LYS 29 0.213 -4.042 -14.137 209 HZ1 LYS 29 HZ1 LYS 29 -0.176 -4.085 -16.352 210 HZ2 LYS 29 HZ2 LYS 29 -1.091 -2.709 -15.991 211 HZ3 LYS 29 HZ3 LYS 29 0.467 -2.545 -16.629 212 H GLY 30 H GLY 30 -1.435 3.305 -11.668 213 HA2 GLY 30 HA2 GLY 30 -2.050 4.141 -9.611 214 HA3 GLY 30 HA3 GLY 30 -2.021 2.496 -8.993 215 H ALA 31 H ALA 31 0.849 3.508 -10.539 216 HA ALA 31 HA ALA 31 2.251 3.471 -7.997 217 HB1 ALA 31 HB1 ALA 31 3.010 2.286 -10.136 218 HB2 ALA 31 HB2 ALA 31 3.531 3.880 -10.680 219 HB3 ALA 31 HB3 ALA 31 4.223 3.177 -9.218 220 H GLU 32 H GLU 32 3.839 5.114 -7.445 221 HA GLU 32 HA GLU 32 2.771 7.766 -7.862 222 HB2 GLU 32 HB2 GLU 32 3.684 6.810 -5.658 223 HB3 GLU 32 HB3 GLU 32 5.279 7.097 -6.338 224 HG2 GLU 32 HG2 GLU 32 4.595 9.492 -6.660 225 HG3 GLU 32 HG3 GLU 32 3.155 9.126 -5.712 226 H SER 33 H SER 33 5.629 5.934 -8.774 227 HA SER 33 HA SER 33 6.151 7.326 -11.104 228 HB2 SER 33 HB2 SER 33 7.207 8.646 -8.694 229 HB3 SER 33 HB3 SER 33 8.399 8.397 -9.970 230 HG SER 33 HG SER 33 6.964 10.389 -9.958 231 H GLY 34 H GLY 34 7.977 6.544 -12.214 232 HA2 GLY 34 HA2 GLY 34 9.904 4.860 -10.905 233 HA3 GLY 34 HA3 GLY 34 8.716 3.945 -11.822 234 H TYR 35 H TYR 35 10.585 3.228 -13.064 235 HA TYR 35 HA TYR 35 10.810 4.589 -15.516 236 HB2 TYR 35 HB2 TYR 35 13.322 5.050 -15.327 237 HB3 TYR 35 HB3 TYR 35 12.238 6.180 -14.523 238 HD1 TYR 35 HD1 TYR 35 13.252 6.992 -12.615 239 HD2 TYR 35 HD2 TYR 35 13.622 2.853 -13.525 240 HE1 TYR 35 HE1 TYR 35 14.451 6.641 -10.497 241 HE2 TYR 35 HE2 TYR 35 14.822 2.489 -11.409 242 HH TYR 35 HH TYR 35 16.173 4.885 -9.627 243 H CYS 36 H CYS 36 13.013 3.673 -16.652 244 HA CYS 36 HA CYS 36 12.735 0.772 -16.402 245 HB2 CYS 36 HB2 CYS 36 12.585 2.207 -18.617 246 HB3 CYS 36 HB3 CYS 36 14.339 2.063 -18.568 247 H GLN 37 H GLN 37 14.117 -0.141 -15.028 248 HA GLN 37 HA GLN 37 16.950 0.633 -15.200 249 HB2 GLN 37 HB2 GLN 37 16.025 1.559 -13.141 250 HB3 GLN 37 HB3 GLN 37 15.405 -0.022 -12.686 251 HG2 GLN 37 HG2 GLN 37 17.477 -0.830 -12.130 252 HG3 GLN 37 HG3 GLN 37 18.320 0.295 -13.192 253 HE21 GLN 37 HE21 GLN 37 16.284 0.252 -10.293 254 HE22 GLN 37 HE22 GLN 37 17.116 1.527 -9.478 255 H TRP 38 H TRP 38 18.130 -1.015 -15.884 256 HA TRP 38 HA TRP 38 17.107 -3.706 -15.835 257 HB2 TRP 38 HB2 TRP 38 19.441 -4.178 -16.849 258 HB3 TRP 38 HB3 TRP 38 18.295 -3.230 -17.791 259 HD1 TRP 38 HD1 TRP 38 21.452 -2.764 -15.623 260 HE1 TRP 38 HE1 TRP 38 22.614 -0.586 -16.353 261 HE3 TRP 38 HE3 TRP 38 17.964 -1.060 -18.950 262 HZ2 TRP 38 HZ2 TRP 38 22.116 1.569 -18.107 263 HZ3 TRP 38 HZ3 TRP 38 18.383 1.068 -20.111 264 HH2 TRP 38 HH2 TRP 38 20.416 2.355 -19.696 265 H ALA 39 H ALA 39 17.226 -4.925 -14.075 266 HA ALA 39 HA ALA 39 19.606 -5.676 -12.844 267 HB1 ALA 39 HB1 ALA 39 20.013 -3.763 -11.695 268 HB2 ALA 39 HB2 ALA 39 18.315 -3.287 -11.665 269 HB3 ALA 39 HB3 ALA 39 18.907 -4.515 -10.546 270 H GLY 40 H GLY 40 19.258 -7.022 -10.899 271 HA2 GLY 40 HA2 GLY 40 17.798 -8.203 -9.426 272 HA3 GLY 40 HA3 GLY 40 16.463 -7.840 -10.509 273 H GLN 41 H GLN 41 16.954 -10.401 -9.503 274 HA GLN 41 HA GLN 41 18.470 -12.100 -11.081 275 HB2 GLN 41 HB2 GLN 41 17.606 -13.123 -9.195 276 HB3 GLN 41 HB3 GLN 41 15.998 -12.453 -9.439 277 HG2 GLN 41 HG2 GLN 41 15.390 -14.085 -10.928 278 HG3 GLN 41 HG3 GLN 41 17.054 -14.421 -11.406 279 HE21 GLN 41 HE21 GLN 41 15.335 -16.463 -10.842 280 HE22 GLN 41 HE22 GLN 41 15.806 -17.238 -9.371 281 H TYR 42 H TYR 42 15.522 -10.469 -11.818 282 HA TYR 42 HA TYR 42 15.015 -12.157 -14.148 283 HB2 TYR 42 HB2 TYR 42 13.249 -9.893 -13.962 284 HB3 TYR 42 HB3 TYR 42 12.869 -11.608 -13.841 285 HD1 TYR 42 HD1 TYR 42 13.260 -12.729 -11.548 286 HD2 TYR 42 HD2 TYR 42 13.035 -8.515 -12.095 287 HE1 TYR 42 HE1 TYR 42 12.752 -12.452 -9.158 288 HE2 TYR 42 HE2 TYR 42 12.528 -8.227 -9.705 289 HH TYR 42 HH TYR 42 13.144 -10.126 -7.451 290 H GLY 43 H GLY 43 17.387 -10.488 -14.041 291 HA2 GLY 43 HA2 GLY 43 18.535 -8.940 -15.300 292 HA3 GLY 43 HA3 GLY 43 17.523 -9.532 -16.609 293 H ASN 44 H ASN 44 16.329 -8.063 -17.612 294 HA ASN 44 HA ASN 44 16.094 -5.406 -16.494 295 HB2 ASN 44 HB2 ASN 44 15.541 -6.659 -19.153 296 HB3 ASN 44 HB3 ASN 44 14.767 -5.126 -18.762 297 HD21 ASN 44 HD21 ASN 44 17.978 -6.393 -17.976 298 HD22 ASN 44 HD22 ASN 44 18.858 -5.110 -18.728 299 H ALA 45 H ALA 45 14.230 -4.382 -15.871 300 HA ALA 45 HA ALA 45 11.627 -5.456 -16.259 301 HB1 ALA 45 HB1 ALA 45 12.375 -7.066 -14.593 302 HB2 ALA 45 HB2 ALA 45 12.795 -5.753 -13.494 303 HB3 ALA 45 HB3 ALA 45 11.110 -6.028 -13.935 304 H CYS 46 H CYS 46 10.085 -3.936 -15.889 305 HA CYS 46 HA CYS 46 10.856 -1.258 -15.528 306 HB2 CYS 46 HB2 CYS 46 8.740 -2.256 -16.658 307 HB3 CYS 46 HB3 CYS 46 8.049 -2.213 -15.039 308 H TRP 47 H TRP 47 11.208 -0.086 -13.762 309 HA TRP 47 HA TRP 47 10.487 -1.244 -11.161 310 HB2 TRP 47 HB2 TRP 47 12.855 -0.814 -11.403 311 HB3 TRP 47 HB3 TRP 47 12.542 0.845 -11.907 312 HD1 TRP 47 HD1 TRP 47 11.959 2.619 -10.010 313 HE1 TRP 47 HE1 TRP 47 12.240 2.576 -7.451 314 HE3 TRP 47 HE3 TRP 47 12.758 -2.390 -9.365 315 HZ2 TRP 47 HZ2 TRP 47 12.735 0.671 -5.428 316 HZ3 TRP 47 HZ3 TRP 47 13.127 -3.241 -7.087 317 HH2 TRP 47 HH2 TRP 47 13.116 -1.741 -5.160 318 H CYS 48 H CYS 48 9.094 -0.258 -9.820 319 HA CYS 48 HA CYS 48 8.257 2.490 -10.449 320 HB2 CYS 48 HB2 CYS 48 6.439 0.165 -9.785 321 HB3 CYS 48 HB3 CYS 48 5.919 1.843 -9.899 322 H TYR 49 H TYR 49 7.174 3.581 -8.634 323 HA TYR 49 HA TYR 49 8.249 2.642 -6.058 324 HB2 TYR 49 HB2 TYR 49 7.956 5.371 -7.249 325 HB3 TYR 49 HB3 TYR 49 7.901 5.191 -5.499 326 HD1 TYR 49 HD1 TYR 49 10.008 5.308 -8.417 327 HD2 TYR 49 HD2 TYR 49 9.876 4.162 -4.322 328 HE1 TYR 49 HE1 TYR 49 12.467 5.288 -8.350 329 HE2 TYR 49 HE2 TYR 49 12.335 4.140 -4.243 330 HH TYR 49 HH TYR 49 14.216 4.283 -5.437 331 H LYS 50 H LYS 50 6.977 2.836 -4.195 332 HA LYS 50 HA LYS 50 5.014 2.420 -3.085 333 HB2 LYS 50 HB2 LYS 50 4.185 4.934 -4.543 334 HB3 LYS 50 HB3 LYS 50 3.517 4.330 -3.032 335 HG2 LYS 50 HG2 LYS 50 6.403 4.707 -2.938 336 HG3 LYS 50 HG3 LYS 50 5.511 6.191 -3.278 337 HD2 LYS 50 HD2 LYS 50 5.594 6.154 -0.957 338 HD3 LYS 50 HD3 LYS 50 4.007 5.463 -1.305 339 HE2 LYS 50 HE2 LYS 50 5.087 3.194 -1.155 340 HE3 LYS 50 HE3 LYS 50 6.533 4.003 -0.551 341 HZ1 LYS 50 HZ1 LYS 50 3.879 4.319 0.726 342 HZ2 LYS 50 HZ2 LYS 50 4.966 3.102 1.175 343 HZ3 LYS 50 HZ3 LYS 50 5.394 4.728 1.358 344 H LEU 51 H LEU 51 4.969 0.672 -5.019 345 HA LEU 51 HA LEU 51 2.798 0.957 -6.857 346 HB2 LEU 51 HB2 LEU 51 4.677 -1.207 -6.075 347 HB3 LEU 51 HB3 LEU 51 3.187 -1.664 -6.897 348 HG LEU 51 HG LEU 51 5.333 0.168 -7.965 349 HD11 LEU 51 HD11 LEU 51 5.224 -2.603 -7.901 350 HD12 LEU 51 HD12 LEU 51 4.664 -2.177 -9.519 351 HD13 LEU 51 HD13 LEU 51 6.234 -1.608 -8.951 352 HD21 LEU 51 HD21 LEU 51 3.181 0.928 -8.731 353 HD22 LEU 51 HD22 LEU 51 4.001 0.095 -10.052 354 HD23 LEU 51 HD23 LEU 51 2.711 -0.716 -9.164 355 HA PRO 52 HA PRO 52 -0.546 -0.168 -4.216 356 HB2 PRO 52 HB2 PRO 52 -2.319 -0.954 -6.115 357 HB3 PRO 52 HB3 PRO 52 -1.915 0.741 -5.822 358 HG2 PRO 52 HG2 PRO 52 -0.886 -1.112 -7.935 359 HG3 PRO 52 HG3 PRO 52 -1.384 0.584 -8.080 360 HD2 PRO 52 HD2 PRO 52 1.214 -0.163 -7.918 361 HD3 PRO 52 HD3 PRO 52 0.618 1.373 -7.256 362 H ASP 53 H ASP 53 -1.103 -1.952 -3.114 363 HA ASP 53 HA ASP 53 0.109 -4.391 -3.395 364 HB2 ASP 53 HB2 ASP 53 -1.480 -3.395 -1.526 365 HB3 ASP 53 HB3 ASP 53 -2.693 -4.359 -2.364 366 H LYS 54 H LYS 54 -2.672 -3.177 -5.089 367 HA LYS 54 HA LYS 54 -3.735 -5.607 -6.024 368 HB2 LYS 54 HB2 LYS 54 -3.775 -2.905 -7.382 369 HB3 LYS 54 HB3 LYS 54 -4.842 -4.256 -7.738 370 HG2 LYS 54 HG2 LYS 54 -5.608 -4.106 -5.328 371 HG3 LYS 54 HG3 LYS 54 -4.755 -2.562 -5.262 372 HD2 LYS 54 HD2 LYS 54 -6.146 -1.624 -6.943 373 HD3 LYS 54 HD3 LYS 54 -6.836 -3.198 -7.343 374 HE2 LYS 54 HE2 LYS 54 -8.340 -1.747 -5.992 375 HE3 LYS 54 HE3 LYS 54 -7.980 -3.301 -5.241 376 HZ1 LYS 54 HZ1 LYS 54 -6.640 -2.325 -3.660 377 HZ2 LYS 54 HZ2 LYS 54 -6.361 -0.932 -4.578 378 HZ3 LYS 54 HZ3 LYS 54 -7.860 -1.166 -3.831 379 H VAL 55 H VAL 55 -1.225 -3.480 -7.313 380 HA VAL 55 HA VAL 55 -0.833 -5.154 -9.646 381 HB VAL 55 HB VAL 55 0.708 -2.746 -8.668 382 HG11 VAL 55 HG11 VAL 55 1.396 -4.715 -10.613 383 HG12 VAL 55 HG12 VAL 55 1.077 -3.187 -11.434 384 HG13 VAL 55 HG13 VAL 55 2.281 -3.262 -10.147 385 HG21 VAL 55 HG21 VAL 55 -0.443 -1.531 -10.412 386 HG22 VAL 55 HG22 VAL 55 -1.265 -3.001 -10.936 387 HG23 VAL 55 HG23 VAL 55 -1.626 -2.304 -9.356 388 HA PRO 56 HA PRO 56 1.967 -7.753 -7.288 389 HB2 PRO 56 HB2 PRO 56 2.307 -9.582 -9.266 390 HB3 PRO 56 HB3 PRO 56 0.879 -9.546 -8.225 391 HG2 PRO 56 HG2 PRO 56 1.229 -8.477 -10.999 392 HG3 PRO 56 HG3 PRO 56 -0.135 -9.379 -10.312 393 HD2 PRO 56 HD2 PRO 56 -0.173 -6.689 -10.618 394 HD3 PRO 56 HD3 PRO 56 -1.017 -7.510 -9.290 395 H ILE 57 H ILE 57 4.183 -8.362 -7.468 396 HA ILE 57 HA ILE 57 5.662 -6.891 -9.552 397 HB ILE 57 HB ILE 57 7.508 -6.656 -7.903 398 HG12 ILE 57 HG12 ILE 57 5.835 -7.003 -5.553 399 HG13 ILE 57 HG13 ILE 57 6.021 -8.511 -6.442 400 HG21 ILE 57 HG21 ILE 57 5.292 -5.107 -8.240 401 HG22 ILE 57 HG22 ILE 57 5.310 -5.336 -6.491 402 HG23 ILE 57 HG23 ILE 57 6.715 -4.647 -7.305 403 HD11 ILE 57 HD11 ILE 57 8.516 -7.045 -6.089 404 HD12 ILE 57 HD12 ILE 57 7.755 -7.544 -4.578 405 HD13 ILE 57 HD13 ILE 57 8.143 -8.746 -5.809 406 H LYS 58 H LYS 58 7.622 -7.815 -10.295 407 HA LYS 58 HA LYS 58 7.538 -10.622 -10.628 408 HB2 LYS 58 HB2 LYS 58 8.511 -9.207 -12.334 409 HB3 LYS 58 HB3 LYS 58 9.728 -8.622 -11.207 410 HG2 LYS 58 HG2 LYS 58 10.691 -10.242 -12.716 411 HG3 LYS 58 HG3 LYS 58 10.674 -10.880 -11.070 412 HD2 LYS 58 HD2 LYS 58 8.496 -12.026 -11.692 413 HD3 LYS 58 HD3 LYS 58 8.863 -11.597 -13.364 414 HE2 LYS 58 HE2 LYS 58 11.188 -12.708 -12.743 415 HE3 LYS 58 HE3 LYS 58 10.191 -13.551 -11.559 416 HZ1 LYS 58 HZ1 LYS 58 9.151 -14.732 -13.147 417 HZ2 LYS 58 HZ2 LYS 58 9.137 -13.460 -14.263 418 HZ3 LYS 58 HZ3 LYS 58 10.536 -14.390 -14.058 419 H VAL 59 H VAL 59 8.560 -12.254 -9.601 420 HA VAL 59 HA VAL 59 10.622 -11.632 -7.621 421 HB VAL 59 HB VAL 59 9.536 -13.179 -5.982 422 HG11 VAL 59 HG11 VAL 59 9.246 -10.528 -6.263 423 HG12 VAL 59 HG12 VAL 59 7.556 -11.021 -6.366 424 HG13 VAL 59 HG13 VAL 59 8.514 -11.445 -4.947 425 HG21 VAL 59 HG21 VAL 59 7.747 -13.580 -8.158 426 HG22 VAL 59 HG22 VAL 59 7.769 -14.380 -6.586 427 HG23 VAL 59 HG23 VAL 59 6.842 -12.896 -6.808 428 H SER 60 H SER 60 11.796 -13.552 -6.887 429 HA SER 60 HA SER 60 12.741 -15.126 -8.933 430 HB2 SER 60 HB2 SER 60 12.654 -15.932 -6.016 431 HB3 SER 60 HB3 SER 60 13.785 -16.517 -7.237 432 HG SER 60 HG SER 60 14.778 -14.896 -6.058 433 H GLY 61 H GLY 61 11.455 -16.315 -10.214 434 HA2 GLY 61 HA2 GLY 61 10.406 -18.769 -9.334 435 HA3 GLY 61 HA3 GLY 61 9.090 -17.609 -9.434 436 H LYS 62 H LYS 62 9.650 -20.061 -10.998 437 HA LYS 62 HA LYS 62 10.559 -19.523 -13.569 438 HB2 LYS 62 HB2 LYS 62 8.569 -21.497 -12.484 439 HB3 LYS 62 HB3 LYS 62 8.910 -21.413 -14.208 440 HG2 LYS 62 HG2 LYS 62 10.400 -23.017 -13.607 441 HG3 LYS 62 HG3 LYS 62 11.406 -21.587 -13.363 442 HD2 LYS 62 HD2 LYS 62 11.363 -21.777 -11.094 443 HD3 LYS 62 HD3 LYS 62 9.745 -22.483 -11.076 444 HE2 LYS 62 HE2 LYS 62 10.742 -24.577 -12.015 445 HE3 LYS 62 HE3 LYS 62 12.334 -23.854 -11.787 446 HZ1 LYS 62 HZ1 LYS 62 10.622 -23.808 -9.454 447 HZ2 LYS 62 HZ2 LYS 62 11.090 -25.354 -9.958 448 HZ3 LYS 62 HZ3 LYS 62 12.264 -24.194 -9.586 449 H CYS 63 H CYS 63 9.615 -18.796 -15.443 450 HA CYS 63 HA CYS 63 6.940 -17.590 -15.162 451 HB2 CYS 63 HB2 CYS 63 9.290 -16.232 -15.582 452 HB3 CYS 63 HB3 CYS 63 8.684 -16.435 -17.222 453 H ASN 64 H ASN 64 5.722 -17.376 -17.181 454 HA ASN 64 HA ASN 64 5.779 -19.821 -18.665 455 HB2 ASN 64 HB2 ASN 64 4.052 -17.372 -18.668 456 HB3 ASN 64 HB3 ASN 64 3.939 -18.512 -20.005 457 HD21 ASN 64 HD21 ASN 64 4.121 -20.912 -18.922 458 HD22 ASN 64 HD22 ASN 64 2.868 -21.187 -17.764 Start of MODEL 14 1 H1 VAL 1 H VAL 1 0.617 0.883 0.035 2 HA VAL 1 HA VAL 1 1.500 -0.500 -2.107 3 HB VAL 1 HB VAL 1 2.916 1.578 -2.676 4 HG11 VAL 1 HG11 VAL 1 0.976 2.804 -3.314 5 HG12 VAL 1 HG12 VAL 1 0.567 1.091 -3.411 6 HG13 VAL 1 HG13 VAL 1 0.010 2.054 -2.042 7 HG21 VAL 1 HG21 VAL 1 3.202 2.251 -0.293 8 HG22 VAL 1 HG22 VAL 1 2.578 3.533 -1.331 9 HG23 VAL 1 HG23 VAL 1 1.488 2.661 -0.253 10 H ARG 2 H ARG 2 3.749 -0.470 -3.111 11 HA ARG 2 HA ARG 2 5.991 -0.625 -1.324 12 HB2 ARG 2 HB2 ARG 2 6.488 -2.966 -1.593 13 HB3 ARG 2 HB3 ARG 2 4.862 -2.811 -0.942 14 HG2 ARG 2 HG2 ARG 2 4.011 -3.949 -2.639 15 HG3 ARG 2 HG3 ARG 2 4.780 -2.877 -3.811 16 HD2 ARG 2 HD2 ARG 2 6.053 -4.611 -4.388 17 HD3 ARG 2 HD3 ARG 2 6.866 -4.413 -2.836 18 HE ARG 2 HE ARG 2 5.928 -6.378 -2.180 19 HH11 ARG 2 HH11 ARG 2 3.986 -5.037 -4.739 20 HH12 ARG 2 HH12 ARG 2 2.912 -6.394 -4.813 21 HH21 ARG 2 HH21 ARG 2 4.520 -8.171 -2.267 22 HH22 ARG 2 HH22 ARG 2 3.216 -8.176 -3.405 23 H ASP 3 H ASP 3 7.974 -0.710 -2.407 24 HA ASP 3 HA ASP 3 7.800 -0.024 -5.238 25 HB2 ASP 3 HB2 ASP 3 10.397 0.012 -3.781 26 HB3 ASP 3 HB3 ASP 3 9.768 1.133 -4.985 27 H GLY 4 H GLY 4 8.716 -1.186 -6.868 28 HA2 GLY 4 HA2 GLY 4 10.713 -3.047 -6.809 29 HA3 GLY 4 HA3 GLY 4 9.283 -3.953 -6.337 30 H TYR 5 H TYR 5 10.235 -4.991 -8.447 31 HA TYR 5 HA TYR 5 9.551 -3.697 -10.906 32 HB2 TYR 5 HB2 TYR 5 10.185 -6.606 -10.370 33 HB3 TYR 5 HB3 TYR 5 10.138 -5.836 -11.952 34 HD1 TYR 5 HD1 TYR 5 12.446 -7.319 -10.368 35 HD2 TYR 5 HD2 TYR 5 11.511 -3.241 -11.141 36 HE1 TYR 5 HE1 TYR 5 14.826 -6.738 -10.150 37 HE2 TYR 5 HE2 TYR 5 13.888 -2.649 -10.926 38 HH TYR 5 HH TYR 5 16.319 -5.087 -10.071 39 H ILE 6 H ILE 6 7.683 -3.715 -11.983 40 HA ILE 6 HA ILE 6 5.374 -4.951 -10.786 41 HB ILE 6 HB ILE 6 4.070 -3.695 -12.225 42 HG12 ILE 6 HG12 ILE 6 6.414 -3.674 -14.136 43 HG13 ILE 6 HG13 ILE 6 4.899 -4.549 -14.331 44 HG21 ILE 6 HG21 ILE 6 4.741 -1.619 -11.708 45 HG22 ILE 6 HG22 ILE 6 6.097 -2.427 -10.921 46 HG23 ILE 6 HG23 ILE 6 6.276 -1.797 -12.559 47 HD11 ILE 6 HD11 ILE 6 5.551 -1.969 -15.234 48 HD12 ILE 6 HD12 ILE 6 4.009 -2.815 -15.365 49 HD13 ILE 6 HD13 ILE 6 4.332 -1.781 -13.974 50 H ALA 7 H ALA 7 4.038 -6.518 -11.710 51 HA ALA 7 HA ALA 7 5.291 -8.111 -13.852 52 HB1 ALA 7 HB1 ALA 7 3.663 -9.082 -11.506 53 HB2 ALA 7 HB2 ALA 7 4.255 -10.095 -12.822 54 HB3 ALA 7 HB3 ALA 7 5.398 -9.294 -11.743 55 H ASP 8 H ASP 8 3.811 -9.327 -15.216 56 HA ASP 8 HA ASP 8 1.381 -7.790 -15.742 57 HB2 ASP 8 HB2 ASP 8 1.373 -8.975 -17.919 58 HB3 ASP 8 HB3 ASP 8 2.876 -8.100 -17.633 59 H ASP 9 H ASP 9 -0.180 -9.582 -17.063 60 HA ASP 9 HA ASP 9 -1.574 -10.863 -15.017 61 HB2 ASP 9 HB2 ASP 9 -2.852 -11.967 -16.802 62 HB3 ASP 9 HB3 ASP 9 -2.609 -10.258 -17.153 63 H LYS 10 H LYS 10 1.186 -11.876 -16.793 64 HA LYS 10 HA LYS 10 0.857 -14.655 -15.909 65 HB2 LYS 10 HB2 LYS 10 2.856 -13.458 -17.837 66 HB3 LYS 10 HB3 LYS 10 2.705 -15.167 -17.449 67 HG2 LYS 10 HG2 LYS 10 0.164 -14.156 -18.280 68 HG3 LYS 10 HG3 LYS 10 1.393 -13.725 -19.471 69 HD2 LYS 10 HD2 LYS 10 1.023 -16.507 -18.370 70 HD3 LYS 10 HD3 LYS 10 0.279 -15.935 -19.864 71 HE2 LYS 10 HE2 LYS 10 3.234 -15.698 -19.445 72 HE3 LYS 10 HE3 LYS 10 2.526 -17.224 -19.973 73 HZ1 LYS 10 HZ1 LYS 10 1.730 -14.820 -21.421 74 HZ2 LYS 10 HZ2 LYS 10 3.311 -15.369 -21.666 75 HZ3 LYS 10 HZ3 LYS 10 2.002 -16.389 -21.994 76 H ASN 11 H ASN 11 1.632 -12.311 -14.208 77 HA ASN 11 HA ASN 11 3.137 -11.757 -12.587 78 HB2 ASN 11 HB2 ASN 11 2.364 -14.063 -11.893 79 HB3 ASN 11 HB3 ASN 11 3.835 -14.696 -12.625 80 HD21 ASN 11 HD21 ASN 11 5.544 -14.874 -11.369 81 HD22 ASN 11 HD22 ASN 11 5.782 -14.067 -9.860 82 H CYS 12 H CYS 12 4.073 -11.730 -15.384 83 HA CYS 12 HA CYS 12 6.913 -12.376 -15.085 84 HB2 CYS 12 HB2 CYS 12 5.302 -11.546 -17.507 85 HB3 CYS 12 HB3 CYS 12 7.031 -11.880 -17.526 86 H ALA 13 H ALA 13 8.487 -10.865 -14.989 87 HA ALA 13 HA ALA 13 7.881 -8.250 -14.174 88 HB1 ALA 13 HB1 ALA 13 10.545 -8.680 -15.354 89 HB2 ALA 13 HB2 ALA 13 10.090 -8.049 -13.772 90 HB3 ALA 13 HB3 ALA 13 10.091 -9.789 -14.060 91 H TYR 14 H TYR 14 7.762 -6.325 -15.218 92 HA TYR 14 HA TYR 14 7.165 -6.319 -17.988 93 HB2 TYR 14 HB2 TYR 14 7.309 -4.312 -15.818 94 HB3 TYR 14 HB3 TYR 14 7.523 -3.692 -17.451 95 HD1 TYR 14 HD1 TYR 14 5.332 -6.432 -16.183 96 HD2 TYR 14 HD2 TYR 14 5.554 -2.584 -17.985 97 HE1 TYR 14 HE1 TYR 14 2.893 -6.448 -16.504 98 HE2 TYR 14 HE2 TYR 14 3.116 -2.589 -18.310 99 HH TYR 14 HH TYR 14 1.294 -4.427 -18.541 100 H PHE 15 H PHE 15 8.897 -7.041 -19.185 101 HA PHE 15 HA PHE 15 11.545 -6.052 -18.875 102 HB2 PHE 15 HB2 PHE 15 10.454 -7.310 -21.386 103 HB3 PHE 15 HB3 PHE 15 12.102 -7.361 -20.767 104 HD1 PHE 15 HD1 PHE 15 11.718 -8.134 -17.986 105 HD2 PHE 15 HD2 PHE 15 9.741 -9.502 -21.498 106 HE1 PHE 15 HE1 PHE 15 11.235 -10.276 -16.876 107 HE2 PHE 15 HE2 PHE 15 9.254 -11.646 -20.394 108 HZ PHE 15 HZ PHE 15 10.000 -12.035 -18.079 109 H CYS 16 H CYS 16 11.006 -3.744 -18.849 110 HA CYS 16 HA CYS 16 10.162 -2.509 -21.315 111 HB2 CYS 16 HB2 CYS 16 10.561 -0.383 -20.090 112 HB3 CYS 16 HB3 CYS 16 9.489 -1.483 -19.229 113 H GLY 17 H GLY 17 11.664 -0.338 -21.691 114 HA2 GLY 17 HA2 GLY 17 14.471 -1.150 -21.835 115 HA3 GLY 17 HA3 GLY 17 13.643 -0.846 -23.355 116 H ARG 18 H ARG 18 12.010 1.309 -22.174 117 HA ARG 18 HA ARG 18 14.111 3.371 -22.033 118 HB2 ARG 18 HB2 ARG 18 11.558 3.214 -23.517 119 HB3 ARG 18 HB3 ARG 18 11.919 4.769 -22.781 120 HG2 ARG 18 HG2 ARG 18 14.256 4.398 -23.929 121 HG3 ARG 18 HG3 ARG 18 13.313 3.339 -24.979 122 HD2 ARG 18 HD2 ARG 18 11.922 5.103 -25.683 123 HD3 ARG 18 HD3 ARG 18 12.465 6.157 -24.378 124 HE ARG 18 HE ARG 18 14.641 5.455 -26.040 125 HH11 ARG 18 HH11 ARG 18 11.786 7.446 -25.968 126 HH12 ARG 18 HH12 ARG 18 12.421 8.624 -27.068 127 HH21 ARG 18 HH21 ARG 18 15.489 6.999 -27.489 128 HH22 ARG 18 HH22 ARG 18 14.527 8.369 -27.933 129 H ASN 19 H ASN 19 14.096 4.793 -20.379 130 HA ASN 19 HA ASN 19 12.784 4.234 -18.002 131 HB2 ASN 19 HB2 ASN 19 13.851 6.913 -18.923 132 HB3 ASN 19 HB3 ASN 19 13.507 6.462 -17.256 133 HD21 ASN 19 HD21 ASN 19 15.914 7.314 -17.539 134 HD22 ASN 19 HD22 ASN 19 17.085 6.045 -17.612 135 H ALA 20 H ALA 20 12.048 6.883 -20.277 136 HA ALA 20 HA ALA 20 9.826 7.940 -19.075 137 HB1 ALA 20 HB1 ALA 20 11.010 8.669 -21.223 138 HB2 ALA 20 HB2 ALA 20 9.925 7.550 -22.049 139 HB3 ALA 20 HB3 ALA 20 9.264 8.903 -21.132 140 H TYR 21 H TYR 21 9.913 5.185 -21.320 141 HA TYR 21 HA TYR 21 7.202 4.678 -21.516 142 HB2 TYR 21 HB2 TYR 21 8.569 3.422 -22.941 143 HB3 TYR 21 HB3 TYR 21 9.616 2.893 -21.629 144 HD1 TYR 21 HD1 TYR 21 8.978 1.030 -20.200 145 HD2 TYR 21 HD2 TYR 21 6.463 2.300 -23.387 146 HE1 TYR 21 HE1 TYR 21 7.706 -1.068 -20.024 147 HE2 TYR 21 HE2 TYR 21 5.183 0.207 -23.220 148 HH TYR 21 HH TYR 21 4.716 -1.530 -21.454 149 H CYS 22 H CYS 22 9.495 3.301 -19.162 150 HA CYS 22 HA CYS 22 7.660 1.784 -17.710 151 HB2 CYS 22 HB2 CYS 22 10.374 2.853 -17.251 152 HB3 CYS 22 HB3 CYS 22 9.457 2.481 -15.794 153 H ASP 23 H ASP 23 8.761 5.119 -17.178 154 HA ASP 23 HA ASP 23 7.428 5.709 -14.844 155 HB2 ASP 23 HB2 ASP 23 9.009 7.217 -16.078 156 HB3 ASP 23 HB3 ASP 23 7.695 7.599 -17.188 157 H GLU 24 H GLU 24 6.163 5.707 -18.143 158 HA GLU 24 HA GLU 24 3.621 6.775 -17.506 159 HB2 GLU 24 HB2 GLU 24 4.773 5.291 -19.831 160 HB3 GLU 24 HB3 GLU 24 3.028 5.479 -19.725 161 HG2 GLU 24 HG2 GLU 24 4.854 7.837 -19.485 162 HG3 GLU 24 HG3 GLU 24 4.372 7.206 -21.058 163 H GLU 25 H GLU 25 4.599 3.418 -18.225 164 HA GLU 25 HA GLU 25 2.153 2.224 -17.608 165 HB2 GLU 25 HB2 GLU 25 4.808 0.887 -17.133 166 HB3 GLU 25 HB3 GLU 25 3.291 0.153 -17.636 167 HG2 GLU 25 HG2 GLU 25 5.253 1.725 -19.239 168 HG3 GLU 25 HG3 GLU 25 4.524 0.157 -19.582 169 H CYS 26 H CYS 26 4.783 3.253 -15.554 170 HA CYS 26 HA CYS 26 4.105 1.826 -13.229 171 HB2 CYS 26 HB2 CYS 26 5.656 4.331 -13.776 172 HB3 CYS 26 HB3 CYS 26 5.281 3.889 -12.114 173 H LYS 27 H LYS 27 3.546 5.295 -13.850 174 HA LYS 27 HA LYS 27 1.749 5.669 -11.737 175 HB2 LYS 27 HB2 LYS 27 2.865 7.534 -12.841 176 HB3 LYS 27 HB3 LYS 27 2.005 7.193 -14.336 177 HG2 LYS 27 HG2 LYS 27 0.530 8.710 -13.658 178 HG3 LYS 27 HG3 LYS 27 -0.029 7.489 -12.512 179 HD2 LYS 27 HD2 LYS 27 0.383 9.180 -11.045 180 HD3 LYS 27 HD3 LYS 27 1.997 8.467 -11.090 181 HE2 LYS 27 HE2 LYS 27 1.271 10.597 -13.051 182 HE3 LYS 27 HE3 LYS 27 1.674 11.046 -11.395 183 HZ1 LYS 27 HZ1 LYS 27 3.383 9.906 -13.480 184 HZ2 LYS 27 HZ2 LYS 27 3.725 11.113 -12.345 185 HZ3 LYS 27 HZ3 LYS 27 3.711 9.488 -11.874 186 H LYS 28 H LYS 28 1.231 4.706 -15.082 187 HA LYS 28 HA LYS 28 -1.561 4.952 -15.161 188 HB2 LYS 28 HB2 LYS 28 0.381 3.200 -16.651 189 HB3 LYS 28 HB3 LYS 28 -1.351 3.108 -16.945 190 HG2 LYS 28 HG2 LYS 28 -0.347 5.834 -17.013 191 HG3 LYS 28 HG3 LYS 28 0.426 4.785 -18.203 192 HD2 LYS 28 HD2 LYS 28 -2.560 4.971 -17.846 193 HD3 LYS 28 HD3 LYS 28 -1.655 5.967 -18.989 194 HE2 LYS 28 HE2 LYS 28 -2.054 4.293 -20.429 195 HE3 LYS 28 HE3 LYS 28 -0.731 3.482 -19.592 196 HZ1 LYS 28 HZ1 LYS 28 -3.452 2.744 -19.730 197 HZ2 LYS 28 HZ2 LYS 28 -2.156 1.895 -19.050 198 HZ3 LYS 28 HZ3 LYS 28 -3.026 3.003 -18.113 199 H LYS 29 H LYS 29 0.508 2.523 -13.774 200 HA LYS 29 HA LYS 29 -1.639 0.617 -13.406 201 HB2 LYS 29 HB2 LYS 29 1.285 0.685 -12.808 202 HB3 LYS 29 HB3 LYS 29 0.275 -0.438 -11.907 203 HG2 LYS 29 HG2 LYS 29 -0.582 -1.115 -14.279 204 HG3 LYS 29 HG3 LYS 29 0.938 -0.394 -14.811 205 HD2 LYS 29 HD2 LYS 29 2.143 -1.869 -13.228 206 HD3 LYS 29 HD3 LYS 29 0.606 -2.635 -12.816 207 HE2 LYS 29 HE2 LYS 29 1.465 -2.480 -15.673 208 HE3 LYS 29 HE3 LYS 29 2.175 -3.700 -14.616 209 HZ1 LYS 29 HZ1 LYS 29 -0.606 -3.425 -15.525 210 HZ2 LYS 29 HZ2 LYS 29 0.372 -4.804 -15.465 211 HZ3 LYS 29 HZ3 LYS 29 -0.295 -4.177 -14.042 212 H GLY 30 H GLY 30 -0.243 3.252 -11.690 213 HA2 GLY 30 HA2 GLY 30 -1.784 4.086 -9.898 214 HA3 GLY 30 HA3 GLY 30 -1.724 2.449 -9.262 215 H ALA 31 H ALA 31 1.207 3.586 -10.587 216 HA ALA 31 HA ALA 31 2.379 3.686 -7.923 217 HB1 ALA 31 HB1 ALA 31 4.528 3.650 -9.085 218 HB2 ALA 31 HB2 ALA 31 3.483 2.340 -9.633 219 HB3 ALA 31 HB3 ALA 31 3.697 3.775 -10.635 220 H GLU 32 H GLU 32 4.039 5.385 -7.478 221 HA GLU 32 HA GLU 32 2.890 7.987 -8.045 222 HB2 GLU 32 HB2 GLU 32 3.750 7.150 -5.759 223 HB3 GLU 32 HB3 GLU 32 5.354 7.492 -6.394 224 HG2 GLU 32 HG2 GLU 32 4.683 9.825 -6.776 225 HG3 GLU 32 HG3 GLU 32 3.107 9.469 -6.071 226 H SER 33 H SER 33 5.765 6.142 -8.815 227 HA SER 33 HA SER 33 6.367 7.455 -11.162 228 HB2 SER 33 HB2 SER 33 7.318 8.887 -8.778 229 HB3 SER 33 HB3 SER 33 8.573 8.579 -9.978 230 HG SER 33 HG SER 33 7.405 9.695 -11.484 231 H GLY 34 H GLY 34 8.240 6.650 -12.179 232 HA2 GLY 34 HA2 GLY 34 10.211 5.121 -10.816 233 HA3 GLY 34 HA3 GLY 34 8.997 4.065 -11.525 234 H TYR 35 H TYR 35 10.861 3.254 -12.754 235 HA TYR 35 HA TYR 35 10.906 4.386 -15.368 236 HB2 TYR 35 HB2 TYR 35 13.123 5.145 -15.535 237 HB3 TYR 35 HB3 TYR 35 12.559 5.812 -14.007 238 HD1 TYR 35 HD1 TYR 35 15.457 5.190 -15.046 239 HD2 TYR 35 HD2 TYR 35 12.766 3.179 -12.435 240 HE1 TYR 35 HE1 TYR 35 17.363 4.147 -13.894 241 HE2 TYR 35 HE2 TYR 35 14.665 2.131 -11.275 242 HH TYR 35 HH TYR 35 17.880 3.146 -11.724 243 H CYS 36 H CYS 36 13.200 3.259 -16.383 244 HA CYS 36 HA CYS 36 12.573 0.418 -16.124 245 HB2 CYS 36 HB2 CYS 36 12.793 1.778 -18.356 246 HB3 CYS 36 HB3 CYS 36 14.519 1.516 -18.121 247 H GLN 37 H GLN 37 13.613 -0.049 -14.165 248 HA GLN 37 HA GLN 37 16.397 0.535 -13.781 249 HB2 GLN 37 HB2 GLN 37 14.616 0.268 -11.963 250 HB3 GLN 37 HB3 GLN 37 14.777 -1.465 -12.216 251 HG2 GLN 37 HG2 GLN 37 17.321 -0.969 -11.850 252 HG3 GLN 37 HG3 GLN 37 16.706 0.470 -11.039 253 HE21 GLN 37 HE21 GLN 37 18.043 -2.117 -10.157 254 HE22 GLN 37 HE22 GLN 37 17.055 -2.666 -8.851 255 H TRP 38 H TRP 38 17.469 -0.416 -15.523 256 HA TRP 38 HA TRP 38 17.169 -3.201 -16.134 257 HB2 TRP 38 HB2 TRP 38 19.147 -2.807 -17.621 258 HB3 TRP 38 HB3 TRP 38 17.797 -1.714 -17.916 259 HD1 TRP 38 HD1 TRP 38 20.943 -1.564 -15.623 260 HE1 TRP 38 HE1 TRP 38 21.974 0.782 -15.864 261 HE3 TRP 38 HE3 TRP 38 17.628 0.440 -18.959 262 HZ2 TRP 38 HZ2 TRP 38 21.450 3.167 -17.280 263 HZ3 TRP 38 HZ3 TRP 38 17.963 2.760 -19.706 264 HH2 TRP 38 HH2 TRP 38 19.835 4.094 -18.883 265 H ALA 39 H ALA 39 19.208 -4.603 -16.226 266 HA ALA 39 HA ALA 39 20.882 -5.724 -15.162 267 HB1 ALA 39 HB1 ALA 39 21.454 -3.334 -13.454 268 HB2 ALA 39 HB2 ALA 39 22.569 -4.537 -14.104 269 HB3 ALA 39 HB3 ALA 39 21.855 -3.327 -15.171 270 H GLY 40 H GLY 40 18.247 -5.964 -14.210 271 HA2 GLY 40 HA2 GLY 40 18.472 -5.969 -11.290 272 HA3 GLY 40 HA3 GLY 40 17.003 -6.239 -12.216 273 H GLN 41 H GLN 41 17.242 -7.944 -10.281 274 HA GLN 41 HA GLN 41 18.859 -10.161 -10.454 275 HB2 GLN 41 HB2 GLN 41 17.295 -9.760 -8.607 276 HB3 GLN 41 HB3 GLN 41 15.939 -10.094 -9.674 277 HG2 GLN 41 HG2 GLN 41 16.397 -12.360 -9.764 278 HG3 GLN 41 HG3 GLN 41 18.071 -12.143 -9.257 279 HE21 GLN 41 HE21 GLN 41 16.732 -14.047 -8.010 280 HE22 GLN 41 HE22 GLN 41 16.292 -13.576 -6.407 281 H TYR 42 H TYR 42 15.678 -9.732 -11.998 282 HA TYR 42 HA TYR 42 16.181 -12.099 -13.642 283 HB2 TYR 42 HB2 TYR 42 13.652 -10.617 -13.992 284 HB3 TYR 42 HB3 TYR 42 13.932 -12.345 -13.814 285 HD1 TYR 42 HD1 TYR 42 13.251 -9.212 -12.065 286 HD2 TYR 42 HD2 TYR 42 14.038 -13.367 -11.596 287 HE1 TYR 42 HE1 TYR 42 12.465 -9.092 -9.738 288 HE2 TYR 42 HE2 TYR 42 13.253 -13.259 -9.268 289 HH TYR 42 HH TYR 42 12.297 -10.186 -7.792 290 H GLY 43 H GLY 43 17.608 -9.551 -14.036 291 HA2 GLY 43 HA2 GLY 43 18.484 -8.649 -16.007 292 HA3 GLY 43 HA3 GLY 43 17.130 -9.334 -16.895 293 H ASN 44 H ASN 44 16.282 -7.644 -17.954 294 HA ASN 44 HA ASN 44 16.055 -5.049 -16.705 295 HB2 ASN 44 HB2 ASN 44 15.022 -5.999 -19.387 296 HB3 ASN 44 HB3 ASN 44 15.130 -4.325 -18.850 297 HD21 ASN 44 HD21 ASN 44 17.609 -4.348 -17.637 298 HD22 ASN 44 HD22 ASN 44 18.824 -4.605 -18.838 299 H ALA 45 H ALA 45 14.476 -4.641 -15.313 300 HA ALA 45 HA ALA 45 11.764 -5.575 -15.953 301 HB1 ALA 45 HB1 ALA 45 11.453 -5.865 -13.433 302 HB2 ALA 45 HB2 ALA 45 12.374 -7.102 -14.288 303 HB3 ALA 45 HB3 ALA 45 13.214 -5.873 -13.343 304 H CYS 46 H CYS 46 10.170 -4.109 -15.633 305 HA CYS 46 HA CYS 46 10.845 -1.384 -15.330 306 HB2 CYS 46 HB2 CYS 46 8.791 -2.523 -16.491 307 HB3 CYS 46 HB3 CYS 46 8.052 -2.384 -14.898 308 H TRP 47 H TRP 47 11.325 -0.332 -13.531 309 HA TRP 47 HA TRP 47 10.419 -1.406 -10.960 310 HB2 TRP 47 HB2 TRP 47 12.774 -1.069 -11.004 311 HB3 TRP 47 HB3 TRP 47 12.603 0.535 -11.711 312 HD1 TRP 47 HD1 TRP 47 11.834 2.528 -10.059 313 HE1 TRP 47 HE1 TRP 47 12.020 2.775 -7.504 314 HE3 TRP 47 HE3 TRP 47 12.701 -2.359 -8.832 315 HZ2 TRP 47 HZ2 TRP 47 12.475 1.118 -5.264 316 HZ3 TRP 47 HZ3 TRP 47 13.001 -2.944 -6.461 317 HH2 TRP 47 HH2 TRP 47 12.890 -1.240 -4.716 318 H CYS 48 H CYS 48 9.008 -0.367 -9.678 319 HA CYS 48 HA CYS 48 8.275 2.399 -10.356 320 HB2 CYS 48 HB2 CYS 48 6.354 0.139 -9.757 321 HB3 CYS 48 HB3 CYS 48 5.899 1.832 -9.924 322 H TYR 49 H TYR 49 7.230 3.567 -8.603 323 HA TYR 49 HA TYR 49 8.164 2.612 -5.982 324 HB2 TYR 49 HB2 TYR 49 7.921 5.327 -7.207 325 HB3 TYR 49 HB3 TYR 49 7.771 5.173 -5.460 326 HD1 TYR 49 HD1 TYR 49 9.684 3.913 -4.244 327 HD2 TYR 49 HD2 TYR 49 10.028 5.503 -8.176 328 HE1 TYR 49 HE1 TYR 49 12.134 3.893 -4.032 329 HE2 TYR 49 HE2 TYR 49 12.479 5.487 -7.974 330 HH TYR 49 HH TYR 49 14.123 3.791 -5.666 331 H LYS 50 H LYS 50 6.815 2.630 -4.213 332 HA LYS 50 HA LYS 50 4.818 2.231 -3.171 333 HB2 LYS 50 HB2 LYS 50 4.023 4.796 -4.556 334 HB3 LYS 50 HB3 LYS 50 3.356 4.151 -3.063 335 HG2 LYS 50 HG2 LYS 50 6.232 4.498 -2.920 336 HG3 LYS 50 HG3 LYS 50 5.385 6.002 -3.287 337 HD2 LYS 50 HD2 LYS 50 5.401 5.981 -0.968 338 HD3 LYS 50 HD3 LYS 50 3.815 5.306 -1.347 339 HE2 LYS 50 HE2 LYS 50 4.475 3.728 0.136 340 HE3 LYS 50 HE3 LYS 50 5.246 3.045 -1.295 341 HZ1 LYS 50 HZ1 LYS 50 6.890 4.985 0.019 342 HZ2 LYS 50 HZ2 LYS 50 6.492 3.694 1.037 343 HZ3 LYS 50 HZ3 LYS 50 7.255 3.399 -0.444 344 H LEU 51 H LEU 51 4.764 0.511 -5.072 345 HA LEU 51 HA LEU 51 2.709 0.887 -7.029 346 HB2 LEU 51 HB2 LEU 51 4.444 -1.366 -6.151 347 HB3 LEU 51 HB3 LEU 51 2.999 -1.735 -7.090 348 HG LEU 51 HG LEU 51 5.241 0.078 -7.983 349 HD11 LEU 51 HD11 LEU 51 5.356 -2.630 -7.797 350 HD12 LEU 51 HD12 LEU 51 4.711 -2.418 -9.425 351 HD13 LEU 51 HD13 LEU 51 6.241 -1.663 -8.978 352 HD21 LEU 51 HD21 LEU 51 2.926 -1.024 -9.566 353 HD22 LEU 51 HD22 LEU 51 2.962 0.596 -8.871 354 HD23 LEU 51 HD23 LEU 51 4.141 0.138 -10.100 355 HA PRO 52 HA PRO 52 -0.843 -0.195 -4.676 356 HB2 PRO 52 HB2 PRO 52 -2.422 -1.186 -6.649 357 HB3 PRO 52 HB3 PRO 52 -2.079 0.538 -6.468 358 HG2 PRO 52 HG2 PRO 52 -0.828 -1.457 -8.315 359 HG3 PRO 52 HG3 PRO 52 -1.344 0.206 -8.649 360 HD2 PRO 52 HD2 PRO 52 1.242 -0.454 -8.194 361 HD3 PRO 52 HD3 PRO 52 0.560 1.116 -7.722 362 H ASP 53 H ASP 53 -1.364 -1.886 -3.435 363 HA ASP 53 HA ASP 53 -0.111 -4.322 -3.467 364 HB2 ASP 53 HB2 ASP 53 -1.777 -3.196 -1.744 365 HB3 ASP 53 HB3 ASP 53 -2.947 -4.246 -2.537 366 H LYS 54 H LYS 54 -2.825 -3.290 -5.369 367 HA LYS 54 HA LYS 54 -3.809 -5.825 -6.128 368 HB2 LYS 54 HB2 LYS 54 -3.983 -3.080 -7.342 369 HB3 LYS 54 HB3 LYS 54 -4.660 -4.478 -8.168 370 HG2 LYS 54 HG2 LYS 54 -6.181 -4.892 -6.384 371 HG3 LYS 54 HG3 LYS 54 -5.393 -3.690 -5.359 372 HD2 LYS 54 HD2 LYS 54 -6.030 -1.953 -7.037 373 HD3 LYS 54 HD3 LYS 54 -6.959 -3.190 -7.889 374 HE2 LYS 54 HE2 LYS 54 -7.425 -2.700 -4.976 375 HE3 LYS 54 HE3 LYS 54 -8.142 -1.626 -6.176 376 HZ1 LYS 54 HZ1 LYS 54 -9.158 -4.020 -5.312 377 HZ2 LYS 54 HZ2 LYS 54 -9.681 -3.132 -6.654 378 HZ3 LYS 54 HZ3 LYS 54 -8.539 -4.366 -6.848 379 H VAL 55 H VAL 55 -1.314 -3.726 -7.476 380 HA VAL 55 HA VAL 55 -0.819 -5.535 -9.690 381 HB VAL 55 HB VAL 55 0.596 -3.005 -8.840 382 HG11 VAL 55 HG11 VAL 55 1.718 -3.116 -11.023 383 HG12 VAL 55 HG12 VAL 55 2.144 -4.482 -9.991 384 HG13 VAL 55 HG13 VAL 55 0.988 -4.697 -11.307 385 HG21 VAL 55 HG21 VAL 55 -0.733 -1.854 -10.268 386 HG22 VAL 55 HG22 VAL 55 -0.888 -3.207 -11.389 387 HG23 VAL 55 HG23 VAL 55 -1.853 -3.169 -9.913 388 HA PRO 56 HA PRO 56 1.986 -7.866 -7.064 389 HB2 PRO 56 HB2 PRO 56 2.388 -9.854 -8.868 390 HB3 PRO 56 HB3 PRO 56 0.946 -9.758 -7.851 391 HG2 PRO 56 HG2 PRO 56 1.309 -8.930 -10.704 392 HG3 PRO 56 HG3 PRO 56 -0.044 -9.796 -9.954 393 HD2 PRO 56 HD2 PRO 56 -0.133 -7.144 -10.497 394 HD3 PRO 56 HD3 PRO 56 -0.977 -7.864 -9.111 395 H ILE 57 H ILE 57 4.209 -8.689 -7.339 396 HA ILE 57 HA ILE 57 5.687 -7.195 -9.406 397 HB ILE 57 HB ILE 57 7.551 -6.972 -7.816 398 HG12 ILE 57 HG12 ILE 57 5.894 -7.578 -5.459 399 HG13 ILE 57 HG13 ILE 57 6.336 -8.985 -6.420 400 HG21 ILE 57 HG21 ILE 57 6.735 -5.009 -7.132 401 HG22 ILE 57 HG22 ILE 57 5.233 -5.496 -7.918 402 HG23 ILE 57 HG23 ILE 57 5.455 -5.772 -6.191 403 HD11 ILE 57 HD11 ILE 57 8.582 -7.212 -5.948 404 HD12 ILE 57 HD12 ILE 57 7.854 -7.811 -4.457 405 HD13 ILE 57 HD13 ILE 57 8.427 -8.948 -5.678 406 H LYS 58 H LYS 58 7.686 -8.136 -10.115 407 HA LYS 58 HA LYS 58 7.508 -10.919 -10.581 408 HB2 LYS 58 HB2 LYS 58 8.590 -9.553 -12.216 409 HB3 LYS 58 HB3 LYS 58 9.728 -8.926 -11.031 410 HG2 LYS 58 HG2 LYS 58 10.883 -10.495 -12.390 411 HG3 LYS 58 HG3 LYS 58 10.648 -11.233 -10.804 412 HD2 LYS 58 HD2 LYS 58 8.629 -12.384 -11.734 413 HD3 LYS 58 HD3 LYS 58 9.084 -11.771 -13.325 414 HE2 LYS 58 HE2 LYS 58 11.381 -12.874 -12.789 415 HE3 LYS 58 HE3 LYS 58 10.456 -13.798 -11.607 416 HZ1 LYS 58 HZ1 LYS 58 10.609 -14.966 -13.712 417 HZ2 LYS 58 HZ2 LYS 58 9.002 -14.548 -13.387 418 HZ3 LYS 58 HZ3 LYS 58 9.894 -13.663 -14.520 419 H VAL 59 H VAL 59 8.435 -12.635 -9.602 420 HA VAL 59 HA VAL 59 10.494 -12.215 -7.578 421 HB VAL 59 HB VAL 59 9.255 -13.722 -5.982 422 HG11 VAL 59 HG11 VAL 59 8.528 -11.907 -4.867 423 HG12 VAL 59 HG12 VAL 59 9.259 -11.024 -6.207 424 HG13 VAL 59 HG13 VAL 59 7.527 -11.355 -6.209 425 HG21 VAL 59 HG21 VAL 59 7.275 -14.593 -6.501 426 HG22 VAL 59 HG22 VAL 59 6.626 -13.006 -6.913 427 HG23 VAL 59 HG23 VAL 59 7.483 -13.951 -8.131 428 H SER 60 H SER 60 11.054 -14.504 -6.605 429 HA SER 60 HA SER 60 12.252 -16.017 -8.554 430 HB2 SER 60 HB2 SER 60 12.972 -17.318 -6.842 431 HB3 SER 60 HB3 SER 60 12.189 -16.107 -5.827 432 HG SER 60 HG SER 60 11.412 -18.090 -5.209 433 H GLY 61 H GLY 61 8.973 -16.251 -7.334 434 HA2 GLY 61 HA2 GLY 61 8.215 -18.745 -8.270 435 HA3 GLY 61 HA3 GLY 61 7.137 -17.362 -8.152 436 H LYS 62 H LYS 62 8.317 -19.616 -10.220 437 HA LYS 62 HA LYS 62 8.962 -18.339 -12.575 438 HB2 LYS 62 HB2 LYS 62 7.535 -20.916 -11.995 439 HB3 LYS 62 HB3 LYS 62 7.755 -20.378 -13.655 440 HG2 LYS 62 HG2 LYS 62 10.021 -20.708 -11.706 441 HG3 LYS 62 HG3 LYS 62 9.482 -21.976 -12.809 442 HD2 LYS 62 HD2 LYS 62 10.270 -20.886 -14.664 443 HD3 LYS 62 HD3 LYS 62 10.087 -19.288 -13.936 444 HE2 LYS 62 HE2 LYS 62 12.040 -19.592 -12.602 445 HE3 LYS 62 HE3 LYS 62 12.147 -21.296 -13.042 446 HZ1 LYS 62 HZ1 LYS 62 13.370 -19.164 -14.302 447 HZ2 LYS 62 HZ2 LYS 62 13.326 -20.772 -14.826 448 HZ3 LYS 62 HZ3 LYS 62 12.155 -19.674 -15.363 449 H CYS 63 H CYS 63 7.778 -17.687 -14.407 450 HA CYS 63 HA CYS 63 5.591 -16.069 -13.981 451 HB2 CYS 63 HB2 CYS 63 6.779 -17.342 -16.405 452 HB3 CYS 63 HB3 CYS 63 5.207 -16.564 -16.562 453 H ASN 64 H ASN 64 3.388 -16.268 -14.149 454 HA ASN 64 HA ASN 64 2.295 -18.860 -13.629 455 HB2 ASN 64 HB2 ASN 64 1.179 -16.088 -13.861 456 HB3 ASN 64 HB3 ASN 64 0.082 -17.466 -13.874 457 HD21 ASN 64 HD21 ASN 64 0.136 -18.910 -12.049 458 HD22 ASN 64 HD22 ASN 64 0.581 -18.303 -10.494 Start of MODEL 15 1 H1 VAL 1 H VAL 1 0.606 0.611 0.097 2 HA VAL 1 HA VAL 1 1.561 -0.736 -2.032 3 HB VAL 1 HB VAL 1 2.821 1.417 -2.657 4 HG11 VAL 1 HG11 VAL 1 0.494 0.785 -3.333 5 HG12 VAL 1 HG12 VAL 1 -0.093 1.718 -1.956 6 HG13 VAL 1 HG13 VAL 1 0.792 2.521 -3.253 7 HG21 VAL 1 HG21 VAL 1 2.636 3.304 -1.318 8 HG22 VAL 1 HG22 VAL 1 1.316 2.623 -0.367 9 HG23 VAL 1 HG23 VAL 1 2.961 2.027 -0.145 10 H ARG 2 H ARG 2 3.785 -0.595 -3.063 11 HA ARG 2 HA ARG 2 6.062 -0.550 -1.321 12 HB2 ARG 2 HB2 ARG 2 6.700 -2.861 -1.496 13 HB3 ARG 2 HB3 ARG 2 5.072 -2.786 -0.835 14 HG2 ARG 2 HG2 ARG 2 4.178 -3.870 -2.579 15 HG3 ARG 2 HG3 ARG 2 5.188 -3.023 -3.752 16 HD2 ARG 2 HD2 ARG 2 6.522 -4.790 -3.911 17 HD3 ARG 2 HD3 ARG 2 6.847 -4.722 -2.180 18 HE ARG 2 HE ARG 2 4.365 -6.006 -2.951 19 HH11 ARG 2 HH11 ARG 2 7.725 -6.379 -2.119 20 HH12 ARG 2 HH12 ARG 2 7.566 -8.048 -1.681 21 HH21 ARG 2 HH21 ARG 2 4.143 -8.203 -2.376 22 HH22 ARG 2 HH22 ARG 2 5.528 -9.084 -1.828 23 H ASP 3 H ASP 3 8.043 -0.639 -2.448 24 HA ASP 3 HA ASP 3 7.771 -0.024 -5.290 25 HB2 ASP 3 HB2 ASP 3 10.398 0.140 -3.890 26 HB3 ASP 3 HB3 ASP 3 9.712 1.198 -5.120 27 H GLY 4 H GLY 4 8.764 -1.156 -6.916 28 HA2 GLY 4 HA2 GLY 4 10.799 -2.965 -6.839 29 HA3 GLY 4 HA3 GLY 4 9.399 -3.904 -6.344 30 H TYR 5 H TYR 5 10.331 -4.971 -8.431 31 HA TYR 5 HA TYR 5 9.636 -3.738 -10.916 32 HB2 TYR 5 HB2 TYR 5 10.380 -6.584 -10.221 33 HB3 TYR 5 HB3 TYR 5 10.126 -6.008 -11.864 34 HD1 TYR 5 HD1 TYR 5 12.670 -7.256 -10.756 35 HD2 TYR 5 HD2 TYR 5 11.419 -3.207 -11.131 36 HE1 TYR 5 HE1 TYR 5 15.022 -6.546 -10.866 37 HE2 TYR 5 HE2 TYR 5 13.767 -2.486 -11.243 38 HH TYR 5 HH TYR 5 16.087 -3.883 -12.034 39 H ILE 6 H ILE 6 7.761 -3.768 -11.975 40 HA ILE 6 HA ILE 6 5.464 -5.009 -10.751 41 HB ILE 6 HB ILE 6 4.139 -3.763 -12.187 42 HG12 ILE 6 HG12 ILE 6 6.489 -3.700 -14.088 43 HG13 ILE 6 HG13 ILE 6 4.977 -4.574 -14.302 44 HG21 ILE 6 HG21 ILE 6 6.153 -2.487 -10.864 45 HG22 ILE 6 HG22 ILE 6 6.315 -1.830 -12.492 46 HG23 ILE 6 HG23 ILE 6 4.781 -1.688 -11.633 47 HD11 ILE 6 HD11 ILE 6 5.622 -1.999 -15.189 48 HD12 ILE 6 HD12 ILE 6 4.067 -2.824 -15.293 49 HD13 ILE 6 HD13 ILE 6 4.429 -1.799 -13.905 50 H ALA 7 H ALA 7 4.097 -6.548 -11.708 51 HA ALA 7 HA ALA 7 5.355 -8.144 -13.845 52 HB1 ALA 7 HB1 ALA 7 3.752 -9.091 -11.474 53 HB2 ALA 7 HB2 ALA 7 4.249 -10.119 -12.818 54 HB3 ALA 7 HB3 ALA 7 5.466 -9.370 -11.785 55 H ASP 8 H ASP 8 3.879 -9.339 -15.226 56 HA ASP 8 HA ASP 8 1.452 -7.793 -15.746 57 HB2 ASP 8 HB2 ASP 8 1.453 -8.971 -17.934 58 HB3 ASP 8 HB3 ASP 8 2.938 -8.072 -17.640 59 H ASP 9 H ASP 9 -0.111 -9.560 -17.087 60 HA ASP 9 HA ASP 9 -1.508 -10.869 -15.062 61 HB2 ASP 9 HB2 ASP 9 -2.922 -11.722 -16.750 62 HB3 ASP 9 HB3 ASP 9 -2.335 -10.187 -17.382 63 H LYS 10 H LYS 10 1.255 -11.859 -16.845 64 HA LYS 10 HA LYS 10 0.917 -14.652 -16.009 65 HB2 LYS 10 HB2 LYS 10 2.929 -13.423 -17.903 66 HB3 LYS 10 HB3 LYS 10 2.777 -15.138 -17.545 67 HG2 LYS 10 HG2 LYS 10 0.238 -14.465 -18.327 68 HG3 LYS 10 HG3 LYS 10 1.249 -13.462 -19.370 69 HD2 LYS 10 HD2 LYS 10 2.487 -15.428 -20.092 70 HD3 LYS 10 HD3 LYS 10 1.538 -16.445 -19.006 71 HE2 LYS 10 HE2 LYS 10 0.630 -16.691 -21.196 72 HE3 LYS 10 HE3 LYS 10 -0.506 -15.723 -20.257 73 HZ1 LYS 10 HZ1 LYS 10 1.380 -14.799 -22.345 74 HZ2 LYS 10 HZ2 LYS 10 -0.307 -14.670 -22.331 75 HZ3 LYS 10 HZ3 LYS 10 0.621 -13.731 -21.274 76 H ASN 11 H ASN 11 1.680 -12.345 -14.257 77 HA ASN 11 HA ASN 11 3.172 -11.824 -12.614 78 HB2 ASN 11 HB2 ASN 11 2.425 -14.307 -12.179 79 HB3 ASN 11 HB3 ASN 11 4.095 -14.673 -12.598 80 HD21 ASN 11 HD21 ASN 11 5.718 -14.147 -11.202 81 HD22 ASN 11 HD22 ASN 11 5.440 -13.547 -9.605 82 H CYS 12 H CYS 12 4.125 -11.741 -15.408 83 HA CYS 12 HA CYS 12 6.972 -12.356 -15.083 84 HB2 CYS 12 HB2 CYS 12 5.362 -11.581 -17.524 85 HB3 CYS 12 HB3 CYS 12 7.101 -11.857 -17.530 86 H ALA 13 H ALA 13 8.515 -10.817 -14.970 87 HA ALA 13 HA ALA 13 7.853 -8.208 -14.184 88 HB1 ALA 13 HB1 ALA 13 10.269 -9.750 -14.591 89 HB2 ALA 13 HB2 ALA 13 10.476 -8.065 -15.067 90 HB3 ALA 13 HB3 ALA 13 9.934 -8.460 -13.436 91 H TYR 14 H TYR 14 7.765 -6.278 -15.240 92 HA TYR 14 HA TYR 14 7.168 -6.291 -18.007 93 HB2 TYR 14 HB2 TYR 14 7.363 -4.252 -15.865 94 HB3 TYR 14 HB3 TYR 14 7.539 -3.668 -17.516 95 HD1 TYR 14 HD1 TYR 14 5.554 -2.526 -17.952 96 HD2 TYR 14 HD2 TYR 14 5.375 -6.401 -16.205 97 HE1 TYR 14 HE1 TYR 14 3.109 -2.525 -18.216 98 HE2 TYR 14 HE2 TYR 14 2.929 -6.411 -16.465 99 HH TYR 14 HH TYR 14 1.247 -5.174 -18.103 100 H PHE 15 H PHE 15 8.835 -6.969 -19.279 101 HA PHE 15 HA PHE 15 11.519 -6.063 -18.965 102 HB2 PHE 15 HB2 PHE 15 10.361 -7.256 -21.480 103 HB3 PHE 15 HB3 PHE 15 12.021 -7.341 -20.900 104 HD1 PHE 15 HD1 PHE 15 9.632 -9.443 -21.619 105 HD2 PHE 15 HD2 PHE 15 11.667 -8.145 -18.114 106 HE1 PHE 15 HE1 PHE 15 9.137 -11.598 -20.538 107 HE2 PHE 15 HE2 PHE 15 11.177 -10.297 -17.028 108 HZ PHE 15 HZ PHE 15 9.911 -12.027 -18.240 109 H CYS 16 H CYS 16 10.830 -3.733 -18.873 110 HA CYS 16 HA CYS 16 10.029 -2.430 -21.285 111 HB2 CYS 16 HB2 CYS 16 10.505 -0.346 -20.051 112 HB3 CYS 16 HB3 CYS 16 9.507 -1.453 -19.114 113 H GLY 17 H GLY 17 11.555 -0.325 -21.752 114 HA2 GLY 17 HA2 GLY 17 14.334 -1.212 -22.026 115 HA3 GLY 17 HA3 GLY 17 13.442 -0.852 -23.496 116 H ARG 18 H ARG 18 11.942 1.329 -22.181 117 HA ARG 18 HA ARG 18 14.117 3.316 -22.086 118 HB2 ARG 18 HB2 ARG 18 11.562 3.250 -23.550 119 HB3 ARG 18 HB3 ARG 18 11.912 4.776 -22.749 120 HG2 ARG 18 HG2 ARG 18 14.240 4.518 -23.898 121 HG3 ARG 18 HG3 ARG 18 13.364 3.425 -24.972 122 HD2 ARG 18 HD2 ARG 18 12.263 6.139 -24.370 123 HD3 ARG 18 HD3 ARG 18 13.551 5.955 -25.560 124 HE ARG 18 HE ARG 18 11.438 4.133 -26.065 125 HH11 ARG 18 HH11 ARG 18 12.315 7.489 -26.353 126 HH12 ARG 18 HH12 ARG 18 11.267 7.782 -27.701 127 HH21 ARG 18 HH21 ARG 18 10.054 4.506 -27.839 128 HH22 ARG 18 HH22 ARG 18 9.981 6.085 -28.545 129 H ASN 19 H ASN 19 14.175 4.736 -20.425 130 HA ASN 19 HA ASN 19 12.920 4.180 -18.017 131 HB2 ASN 19 HB2 ASN 19 13.546 6.647 -17.486 132 HB3 ASN 19 HB3 ASN 19 14.835 5.498 -17.832 133 HD21 ASN 19 HD21 ASN 19 16.093 5.776 -19.601 134 HD22 ASN 19 HD22 ASN 19 15.968 7.129 -20.669 135 H ALA 20 H ALA 20 12.160 6.842 -20.267 136 HA ALA 20 HA ALA 20 9.986 7.920 -18.974 137 HB1 ALA 20 HB1 ALA 20 11.147 8.685 -21.126 138 HB2 ALA 20 HB2 ALA 20 10.018 7.615 -21.958 139 HB3 ALA 20 HB3 ALA 20 9.409 8.956 -20.988 140 H TYR 21 H TYR 21 10.006 5.209 -21.270 141 HA TYR 21 HA TYR 21 7.287 4.750 -21.462 142 HB2 TYR 21 HB2 TYR 21 8.612 3.480 -22.907 143 HB3 TYR 21 HB3 TYR 21 9.675 2.937 -21.614 144 HD1 TYR 21 HD1 TYR 21 9.046 1.072 -20.183 145 HD2 TYR 21 HD2 TYR 21 6.493 2.374 -23.328 146 HE1 TYR 21 HE1 TYR 21 7.762 -1.018 -19.999 147 HE2 TYR 21 HE2 TYR 21 5.202 0.288 -23.151 148 HH TYR 21 HH TYR 21 5.515 -2.007 -22.343 149 H CYS 22 H CYS 22 9.565 3.350 -19.110 150 HA CYS 22 HA CYS 22 7.724 1.821 -17.677 151 HB2 CYS 22 HB2 CYS 22 10.432 2.897 -17.192 152 HB3 CYS 22 HB3 CYS 22 9.507 2.502 -15.747 153 H ASP 23 H ASP 23 8.864 5.133 -17.055 154 HA ASP 23 HA ASP 23 7.465 5.689 -14.750 155 HB2 ASP 23 HB2 ASP 23 9.131 7.181 -15.928 156 HB3 ASP 23 HB3 ASP 23 7.827 7.660 -17.011 157 H GLU 24 H GLU 24 6.308 5.677 -18.072 158 HA GLU 24 HA GLU 24 3.785 6.858 -17.540 159 HB2 GLU 24 HB2 GLU 24 5.007 5.361 -19.805 160 HB3 GLU 24 HB3 GLU 24 3.254 5.484 -19.760 161 HG2 GLU 24 HG2 GLU 24 5.162 7.811 -19.694 162 HG3 GLU 24 HG3 GLU 24 4.289 7.242 -21.116 163 H GLU 25 H GLU 25 4.660 3.461 -18.202 164 HA GLU 25 HA GLU 25 2.161 2.358 -17.643 165 HB2 GLU 25 HB2 GLU 25 4.741 0.927 -17.056 166 HB3 GLU 25 HB3 GLU 25 3.222 0.253 -17.628 167 HG2 GLU 25 HG2 GLU 25 5.307 1.758 -19.143 168 HG3 GLU 25 HG3 GLU 25 4.564 0.201 -19.507 169 H CYS 26 H CYS 26 4.758 3.324 -15.518 170 HA CYS 26 HA CYS 26 3.920 1.953 -13.199 171 HB2 CYS 26 HB2 CYS 26 5.675 4.318 -13.734 172 HB3 CYS 26 HB3 CYS 26 5.200 3.959 -12.077 173 H LYS 27 H LYS 27 3.717 5.470 -13.732 174 HA LYS 27 HA LYS 27 1.893 6.023 -11.733 175 HB2 LYS 27 HB2 LYS 27 3.093 7.790 -12.865 176 HB3 LYS 27 HB3 LYS 27 2.296 7.411 -14.387 177 HG2 LYS 27 HG2 LYS 27 0.174 8.143 -13.508 178 HG3 LYS 27 HG3 LYS 27 0.893 8.415 -11.919 179 HD2 LYS 27 HD2 LYS 27 2.453 10.055 -13.052 180 HD3 LYS 27 HD3 LYS 27 1.421 9.913 -14.477 181 HE2 LYS 27 HE2 LYS 27 0.182 10.532 -11.836 182 HE3 LYS 27 HE3 LYS 27 1.024 11.811 -12.708 183 HZ1 LYS 27 HZ1 LYS 27 -1.474 10.458 -13.352 184 HZ2 LYS 27 HZ2 LYS 27 -1.014 12.065 -13.613 185 HZ3 LYS 27 HZ3 LYS 27 -0.472 10.849 -14.658 186 H LYS 28 H LYS 28 1.324 4.898 -15.010 187 HA LYS 28 HA LYS 28 -1.458 5.326 -15.097 188 HB2 LYS 28 HB2 LYS 28 0.386 3.446 -16.551 189 HB3 LYS 28 HB3 LYS 28 -1.350 3.414 -16.826 190 HG2 LYS 28 HG2 LYS 28 -0.267 6.099 -16.985 191 HG3 LYS 28 HG3 LYS 28 0.490 4.994 -18.135 192 HD2 LYS 28 HD2 LYS 28 -2.493 5.133 -17.823 193 HD3 LYS 28 HD3 LYS 28 -1.624 6.251 -18.877 194 HE2 LYS 28 HE2 LYS 28 -0.563 3.885 -19.657 195 HE3 LYS 28 HE3 LYS 28 -2.190 3.380 -19.206 196 HZ1 LYS 28 HZ1 LYS 28 -3.114 4.968 -20.718 197 HZ2 LYS 28 HZ2 LYS 28 -1.588 5.609 -21.073 198 HZ3 LYS 28 HZ3 LYS 28 -1.979 4.036 -21.559 199 H LYS 29 H LYS 29 0.483 2.888 -13.583 200 HA LYS 29 HA LYS 29 -1.832 1.174 -13.096 201 HB2 LYS 29 HB2 LYS 29 1.117 0.844 -12.552 202 HB3 LYS 29 HB3 LYS 29 -0.090 -0.292 -11.964 203 HG2 LYS 29 HG2 LYS 29 -0.412 0.216 -14.788 204 HG3 LYS 29 HG3 LYS 29 1.215 -0.355 -14.410 205 HD2 LYS 29 HD2 LYS 29 -0.847 -1.833 -12.988 206 HD3 LYS 29 HD3 LYS 29 -1.036 -1.925 -14.741 207 HE2 LYS 29 HE2 LYS 29 1.391 -2.551 -14.868 208 HE3 LYS 29 HE3 LYS 29 1.387 -2.667 -13.109 209 HZ1 LYS 29 HZ1 LYS 29 0.728 -4.753 -13.386 210 HZ2 LYS 29 HZ2 LYS 29 -0.764 -4.159 -13.920 211 HZ3 LYS 29 HZ3 LYS 29 0.446 -4.537 -15.041 212 H GLY 30 H GLY 30 -1.399 3.889 -11.870 213 HA2 GLY 30 HA2 GLY 30 -2.252 4.687 -9.838 214 HA3 GLY 30 HA3 GLY 30 -2.064 3.080 -9.154 215 H ALA 31 H ALA 31 0.748 2.963 -10.172 216 HA ALA 31 HA ALA 31 2.122 3.625 -7.890 217 HB1 ALA 31 HB1 ALA 31 3.370 3.782 -10.622 218 HB2 ALA 31 HB2 ALA 31 4.125 3.309 -9.101 219 HB3 ALA 31 HB3 ALA 31 2.931 2.255 -9.858 220 H GLU 32 H GLU 32 3.904 5.279 -7.681 221 HA GLU 32 HA GLU 32 2.785 7.906 -8.299 222 HB2 GLU 32 HB2 GLU 32 3.600 7.105 -5.960 223 HB3 GLU 32 HB3 GLU 32 5.206 7.446 -6.587 224 HG2 GLU 32 HG2 GLU 32 4.297 9.310 -5.293 225 HG3 GLU 32 HG3 GLU 32 4.613 9.753 -6.969 226 H SER 33 H SER 33 5.555 5.896 -8.978 227 HA SER 33 HA SER 33 6.263 7.170 -11.332 228 HB2 SER 33 HB2 SER 33 7.055 8.707 -9.102 229 HB3 SER 33 HB3 SER 33 8.524 7.961 -9.732 230 HG SER 33 HG SER 33 7.617 10.080 -10.658 231 H GLY 34 H GLY 34 8.388 6.451 -12.180 232 HA2 GLY 34 HA2 GLY 34 9.955 4.533 -10.800 233 HA3 GLY 34 HA3 GLY 34 8.778 3.722 -11.823 234 H TYR 35 H TYR 35 10.936 2.946 -12.712 235 HA TYR 35 HA TYR 35 11.446 4.403 -15.146 236 HB2 TYR 35 HB2 TYR 35 13.962 4.368 -14.724 237 HB3 TYR 35 HB3 TYR 35 13.036 5.590 -13.860 238 HD1 TYR 35 HD1 TYR 35 12.694 5.417 -11.447 239 HD2 TYR 35 HD2 TYR 35 15.021 2.541 -13.547 240 HE1 TYR 35 HE1 TYR 35 13.619 4.617 -9.313 241 HE2 TYR 35 HE2 TYR 35 15.951 1.731 -11.419 242 HH TYR 35 HH TYR 35 16.229 3.062 -8.909 243 H CYS 36 H CYS 36 13.606 3.170 -16.132 244 HA CYS 36 HA CYS 36 12.783 0.352 -16.173 245 HB2 CYS 36 HB2 CYS 36 12.923 1.911 -18.281 246 HB3 CYS 36 HB3 CYS 36 14.644 1.552 -18.190 247 H GLN 37 H GLN 37 13.950 -0.111 -14.210 248 HA GLN 37 HA GLN 37 16.780 0.244 -14.061 249 HB2 GLN 37 HB2 GLN 37 15.218 0.050 -12.091 250 HB3 GLN 37 HB3 GLN 37 15.091 -1.667 -12.446 251 HG2 GLN 37 HG2 GLN 37 17.561 -1.833 -12.179 252 HG3 GLN 37 HG3 GLN 37 17.562 -0.153 -11.645 253 HE21 GLN 37 HE21 GLN 37 15.221 -0.156 -10.143 254 HE22 GLN 37 HE22 GLN 37 15.458 -1.144 -8.746 255 H TRP 38 H TRP 38 17.825 -0.716 -15.753 256 HA TRP 38 HA TRP 38 17.246 -3.420 -16.551 257 HB2 TRP 38 HB2 TRP 38 19.192 -3.111 -18.077 258 HB3 TRP 38 HB3 TRP 38 17.970 -1.853 -18.242 259 HD1 TRP 38 HD1 TRP 38 21.158 -2.226 -16.034 260 HE1 TRP 38 HE1 TRP 38 22.452 -0.005 -16.150 261 HE3 TRP 38 HE3 TRP 38 18.045 0.365 -19.153 262 HZ2 TRP 38 HZ2 TRP 38 22.188 2.514 -17.397 263 HZ3 TRP 38 HZ3 TRP 38 18.638 2.676 -19.758 264 HH2 TRP 38 HH2 TRP 38 20.666 3.726 -18.897 265 H ALA 39 H ALA 39 19.173 -4.970 -16.785 266 HA ALA 39 HA ALA 39 20.542 -6.425 -15.683 267 HB1 ALA 39 HB1 ALA 39 22.100 -4.576 -16.259 268 HB2 ALA 39 HB2 ALA 39 21.835 -3.907 -14.649 269 HB3 ALA 39 HB3 ALA 39 22.583 -5.494 -14.832 270 H GLY 40 H GLY 40 18.110 -5.676 -14.295 271 HA2 GLY 40 HA2 GLY 40 18.769 -5.362 -11.505 272 HA3 GLY 40 HA3 GLY 40 17.168 -5.636 -12.176 273 H GLN 41 H GLN 41 16.936 -7.072 -10.308 274 HA GLN 41 HA GLN 41 18.444 -9.330 -9.798 275 HB2 GLN 41 HB2 GLN 41 15.462 -9.463 -9.584 276 HB3 GLN 41 HB3 GLN 41 16.685 -10.079 -8.480 277 HG2 GLN 41 HG2 GLN 41 15.732 -7.259 -8.826 278 HG3 GLN 41 HG3 GLN 41 15.703 -8.264 -7.378 279 HE21 GLN 41 HE21 GLN 41 17.886 -8.947 -6.582 280 HE22 GLN 41 HE22 GLN 41 19.146 -7.767 -6.631 281 H TYR 42 H TYR 42 15.464 -9.208 -11.758 282 HA TYR 42 HA TYR 42 16.247 -11.744 -13.001 283 HB2 TYR 42 HB2 TYR 42 13.630 -10.516 -13.653 284 HB3 TYR 42 HB3 TYR 42 14.036 -12.196 -13.321 285 HD1 TYR 42 HD1 TYR 42 13.784 -13.112 -11.144 286 HD2 TYR 42 HD2 TYR 42 13.320 -8.927 -11.751 287 HE1 TYR 42 HE1 TYR 42 12.863 -12.891 -8.874 288 HE2 TYR 42 HE2 TYR 42 12.398 -8.694 -9.483 289 HH TYR 42 HH TYR 42 12.103 -9.732 -7.500 290 H GLY 43 H GLY 43 17.523 -9.196 -13.665 291 HA2 GLY 43 HA2 GLY 43 18.459 -8.548 -15.720 292 HA3 GLY 43 HA3 GLY 43 17.131 -9.345 -16.551 293 H ASN 44 H ASN 44 16.277 -7.800 -17.806 294 HA ASN 44 HA ASN 44 16.006 -5.081 -16.869 295 HB2 ASN 44 HB2 ASN 44 15.551 -6.515 -19.445 296 HB3 ASN 44 HB3 ASN 44 14.695 -4.998 -19.184 297 HD21 ASN 44 HD21 ASN 44 17.928 -6.017 -18.179 298 HD22 ASN 44 HD22 ASN 44 18.773 -4.760 -19.011 299 H ALA 45 H ALA 45 14.481 -4.799 -15.347 300 HA ALA 45 HA ALA 45 11.742 -5.640 -16.018 301 HB1 ALA 45 HB1 ALA 45 11.467 -5.848 -13.448 302 HB2 ALA 45 HB2 ALA 45 12.221 -7.166 -14.346 303 HB3 ALA 45 HB3 ALA 45 13.222 -6.025 -13.448 304 H CYS 46 H CYS 46 10.167 -4.149 -15.679 305 HA CYS 46 HA CYS 46 10.904 -1.433 -15.391 306 HB2 CYS 46 HB2 CYS 46 8.849 -2.496 -16.585 307 HB3 CYS 46 HB3 CYS 46 8.092 -2.411 -14.997 308 H TRP 47 H TRP 47 11.192 -0.243 -13.628 309 HA TRP 47 HA TRP 47 10.415 -1.373 -11.038 310 HB2 TRP 47 HB2 TRP 47 12.751 -0.818 -11.177 311 HB3 TRP 47 HB3 TRP 47 12.384 0.795 -11.784 312 HD1 TRP 47 HD1 TRP 47 11.501 2.607 -10.001 313 HE1 TRP 47 HE1 TRP 47 11.726 2.724 -7.440 314 HE3 TRP 47 HE3 TRP 47 12.827 -2.244 -9.078 315 HZ2 TRP 47 HZ2 TRP 47 12.379 0.991 -5.310 316 HZ3 TRP 47 HZ3 TRP 47 13.235 -2.933 -6.752 317 HH2 TRP 47 HH2 TRP 47 13.015 -1.347 -4.908 318 H CYS 48 H CYS 48 8.987 -0.403 -9.703 319 HA CYS 48 HA CYS 48 7.961 2.247 -10.461 320 HB2 CYS 48 HB2 CYS 48 6.394 -0.254 -9.865 321 HB3 CYS 48 HB3 CYS 48 5.683 1.344 -9.667 322 H TYR 49 H TYR 49 6.864 3.382 -8.706 323 HA TYR 49 HA TYR 49 7.978 2.628 -6.086 324 HB2 TYR 49 HB2 TYR 49 7.560 5.270 -7.422 325 HB3 TYR 49 HB3 TYR 49 7.499 5.186 -5.665 326 HD1 TYR 49 HD1 TYR 49 9.614 5.423 -8.524 327 HD2 TYR 49 HD2 TYR 49 9.520 4.139 -4.468 328 HE1 TYR 49 HE1 TYR 49 12.070 5.525 -8.441 329 HE2 TYR 49 HE2 TYR 49 11.975 4.239 -4.374 330 HH TYR 49 HH TYR 49 13.818 5.791 -5.992 331 H LYS 50 H LYS 50 6.680 2.590 -4.300 332 HA LYS 50 HA LYS 50 4.737 2.168 -3.173 333 HB2 LYS 50 HB2 LYS 50 3.824 4.665 -4.610 334 HB3 LYS 50 HB3 LYS 50 3.185 4.031 -3.099 335 HG2 LYS 50 HG2 LYS 50 6.056 4.490 -3.006 336 HG3 LYS 50 HG3 LYS 50 5.130 5.951 -3.357 337 HD2 LYS 50 HD2 LYS 50 5.214 5.922 -1.032 338 HD3 LYS 50 HD3 LYS 50 3.639 5.206 -1.383 339 HE2 LYS 50 HE2 LYS 50 4.756 2.954 -1.225 340 HE3 LYS 50 HE3 LYS 50 6.184 3.789 -0.615 341 HZ1 LYS 50 HZ1 LYS 50 4.462 2.835 1.036 342 HZ2 LYS 50 HZ2 LYS 50 5.128 4.362 1.330 343 HZ3 LYS 50 HZ3 LYS 50 3.575 4.230 0.672 344 H LEU 51 H LEU 51 4.750 0.442 -5.136 345 HA LEU 51 HA LEU 51 2.615 0.656 -7.001 346 HB2 LEU 51 HB2 LEU 51 4.453 -1.495 -6.090 347 HB3 LEU 51 HB3 LEU 51 2.991 -1.964 -6.956 348 HG LEU 51 HG LEU 51 5.180 -0.165 -7.994 349 HD11 LEU 51 HD11 LEU 51 6.118 -1.958 -8.921 350 HD12 LEU 51 HD12 LEU 51 5.122 -2.918 -7.827 351 HD13 LEU 51 HD13 LEU 51 4.564 -2.588 -9.467 352 HD21 LEU 51 HD21 LEU 51 2.617 -1.109 -9.270 353 HD22 LEU 51 HD22 LEU 51 3.054 0.552 -8.870 354 HD23 LEU 51 HD23 LEU 51 3.936 -0.313 -10.129 355 HA PRO 52 HA PRO 52 -0.831 -0.403 -4.475 356 HB2 PRO 52 HB2 PRO 52 -2.500 -1.343 -6.399 357 HB3 PRO 52 HB3 PRO 52 -2.139 0.376 -6.196 358 HG2 PRO 52 HG2 PRO 52 -0.981 -1.586 -8.138 359 HG3 PRO 52 HG3 PRO 52 -1.501 0.087 -8.413 360 HD2 PRO 52 HD2 PRO 52 1.099 -0.595 -8.085 361 HD3 PRO 52 HD3 PRO 52 0.447 0.967 -7.551 362 H ASP 53 H ASP 53 -1.362 -2.121 -3.269 363 HA ASP 53 HA ASP 53 -0.109 -4.553 -3.365 364 HB2 ASP 53 HB2 ASP 53 -1.760 -3.469 -1.603 365 HB3 ASP 53 HB3 ASP 53 -2.939 -4.500 -2.410 366 H LYS 54 H LYS 54 -2.851 -3.490 -5.214 367 HA LYS 54 HA LYS 54 -3.842 -6.004 -6.019 368 HB2 LYS 54 HB2 LYS 54 -3.944 -3.336 -7.438 369 HB3 LYS 54 HB3 LYS 54 -4.890 -4.749 -7.886 370 HG2 LYS 54 HG2 LYS 54 -5.190 -4.048 -5.083 371 HG3 LYS 54 HG3 LYS 54 -5.668 -2.745 -6.173 372 HD2 LYS 54 HD2 LYS 54 -7.122 -4.321 -7.383 373 HD3 LYS 54 HD3 LYS 54 -6.669 -5.592 -6.245 374 HE2 LYS 54 HE2 LYS 54 -7.995 -2.997 -5.473 375 HE3 LYS 54 HE3 LYS 54 -8.853 -4.514 -5.739 376 HZ1 LYS 54 HZ1 LYS 54 -6.767 -4.027 -3.681 377 HZ2 LYS 54 HZ2 LYS 54 -8.429 -4.178 -3.400 378 HZ3 LYS 54 HZ3 LYS 54 -7.540 -5.507 -3.953 379 H VAL 55 H VAL 55 -1.390 -3.862 -7.402 380 HA VAL 55 HA VAL 55 -0.891 -5.676 -9.609 381 HB VAL 55 HB VAL 55 0.547 -3.143 -8.804 382 HG11 VAL 55 HG11 VAL 55 1.338 -5.194 -10.572 383 HG12 VAL 55 HG12 VAL 55 0.834 -3.824 -11.562 384 HG13 VAL 55 HG13 VAL 55 2.084 -3.614 -10.335 385 HG21 VAL 55 HG21 VAL 55 -0.858 -1.955 -10.133 386 HG22 VAL 55 HG22 VAL 55 -1.126 -3.300 -11.241 387 HG23 VAL 55 HG23 VAL 55 -1.969 -3.252 -9.693 388 HA PRO 56 HA PRO 56 2.000 -7.937 -7.016 389 HB2 PRO 56 HB2 PRO 56 2.416 -9.925 -8.818 390 HB3 PRO 56 HB3 PRO 56 0.988 -9.853 -7.779 391 HG2 PRO 56 HG2 PRO 56 1.292 -9.031 -10.641 392 HG3 PRO 56 HG3 PRO 56 -0.033 -9.921 -9.868 393 HD2 PRO 56 HD2 PRO 56 -0.184 -7.274 -10.421 394 HD3 PRO 56 HD3 PRO 56 -0.992 -8.004 -9.019 395 H ILE 57 H ILE 57 4.238 -8.680 -7.292 396 HA ILE 57 HA ILE 57 5.654 -7.175 -9.396 397 HB ILE 57 HB ILE 57 7.552 -6.969 -7.805 398 HG12 ILE 57 HG12 ILE 57 5.773 -7.503 -5.495 399 HG13 ILE 57 HG13 ILE 57 6.355 -8.915 -6.370 400 HG21 ILE 57 HG21 ILE 57 5.518 -5.637 -6.237 401 HG22 ILE 57 HG22 ILE 57 6.768 -4.954 -7.276 402 HG23 ILE 57 HG23 ILE 57 5.228 -5.465 -7.968 403 HD11 ILE 57 HD11 ILE 57 8.267 -8.792 -5.279 404 HD12 ILE 57 HD12 ILE 57 8.556 -7.188 -5.953 405 HD13 ILE 57 HD13 ILE 57 7.694 -7.359 -4.424 406 H LYS 58 H LYS 58 7.743 -8.060 -10.030 407 HA LYS 58 HA LYS 58 7.601 -10.825 -10.591 408 HB2 LYS 58 HB2 LYS 58 8.753 -9.347 -12.106 409 HB3 LYS 58 HB3 LYS 58 9.874 -8.851 -10.844 410 HG2 LYS 58 HG2 LYS 58 10.988 -10.375 -12.309 411 HG3 LYS 58 HG3 LYS 58 10.730 -11.175 -10.757 412 HD2 LYS 58 HD2 LYS 58 8.586 -12.107 -11.832 413 HD3 LYS 58 HD3 LYS 58 9.312 -11.618 -13.365 414 HE2 LYS 58 HE2 LYS 58 11.372 -12.935 -12.566 415 HE3 LYS 58 HE3 LYS 58 10.279 -13.654 -11.384 416 HZ1 LYS 58 HZ1 LYS 58 9.704 -15.086 -12.956 417 HZ2 LYS 58 HZ2 LYS 58 8.973 -13.817 -13.803 418 HZ3 LYS 58 HZ3 LYS 58 10.573 -14.250 -14.143 419 H VAL 59 H VAL 59 8.518 -12.573 -9.647 420 HA VAL 59 HA VAL 59 10.449 -12.205 -7.490 421 HB VAL 59 HB VAL 59 9.171 -13.772 -6.016 422 HG11 VAL 59 HG11 VAL 59 9.069 -11.095 -6.143 423 HG12 VAL 59 HG12 VAL 59 7.359 -11.466 -6.369 424 HG13 VAL 59 HG13 VAL 59 8.203 -12.039 -4.930 425 HG21 VAL 59 HG21 VAL 59 7.348 -14.795 -6.763 426 HG22 VAL 59 HG22 VAL 59 6.558 -13.237 -7.007 427 HG23 VAL 59 HG23 VAL 59 7.512 -13.956 -8.305 428 H SER 60 H SER 60 11.545 -14.169 -6.886 429 HA SER 60 HA SER 60 12.416 -15.714 -8.990 430 HB2 SER 60 HB2 SER 60 12.320 -16.584 -6.092 431 HB3 SER 60 HB3 SER 60 13.402 -17.207 -7.338 432 HG SER 60 HG SER 60 14.174 -15.463 -5.828 433 H GLY 61 H GLY 61 11.245 -16.977 -10.276 434 HA2 GLY 61 HA2 GLY 61 9.879 -19.261 -9.251 435 HA3 GLY 61 HA3 GLY 61 8.741 -18.032 -9.786 436 H LYS 62 H LYS 62 8.013 -18.364 -11.765 437 HA LYS 62 HA LYS 62 9.671 -18.682 -14.016 438 HB2 LYS 62 HB2 LYS 62 9.213 -20.963 -14.658 439 HB3 LYS 62 HB3 LYS 62 9.947 -20.958 -13.061 440 HG2 LYS 62 HG2 LYS 62 7.625 -21.130 -12.111 441 HG3 LYS 62 HG3 LYS 62 7.060 -21.411 -13.759 442 HD2 LYS 62 HD2 LYS 62 7.360 -23.572 -13.059 443 HD3 LYS 62 HD3 LYS 62 8.956 -23.241 -13.738 444 HE2 LYS 62 HE2 LYS 62 9.468 -24.192 -11.689 445 HE3 LYS 62 HE3 LYS 62 9.545 -22.466 -11.339 446 HZ1 LYS 62 HZ1 LYS 62 6.929 -23.603 -10.963 447 HZ2 LYS 62 HZ2 LYS 62 8.102 -24.278 -9.947 448 HZ3 LYS 62 HZ3 LYS 62 7.834 -22.607 -9.936 449 H CYS 63 H CYS 63 8.576 -17.946 -15.722 450 HA CYS 63 HA CYS 63 5.740 -18.462 -16.019 451 HB2 CYS 63 HB2 CYS 63 5.017 -16.197 -16.043 452 HB3 CYS 63 HB3 CYS 63 5.962 -16.392 -14.570 453 H ASN 64 H ASN 64 4.919 -17.807 -18.119 454 HA ASN 64 HA ASN 64 6.761 -16.873 -20.121 455 HB2 ASN 64 HB2 ASN 64 6.105 -19.763 -19.850 456 HB3 ASN 64 HB3 ASN 64 6.141 -19.093 -21.478 457 HD21 ASN 64 HD21 ASN 64 7.948 -20.462 -19.054 458 HD22 ASN 64 HD22 ASN 64 9.525 -20.033 -19.614 Start of MODEL 16 1 H1 VAL 1 H VAL 1 1.655 0.577 0.792 2 HA VAL 1 HA VAL 1 1.561 -0.559 -1.925 3 HB VAL 1 HB VAL 1 2.953 1.524 -2.558 4 HG11 VAL 1 HG11 VAL 1 0.660 1.012 -3.340 5 HG12 VAL 1 HG12 VAL 1 0.023 1.880 -1.943 6 HG13 VAL 1 HG13 VAL 1 0.962 2.741 -3.162 7 HG21 VAL 1 HG21 VAL 1 3.097 2.185 -0.081 8 HG22 VAL 1 HG22 VAL 1 2.760 3.456 -1.256 9 HG23 VAL 1 HG23 VAL 1 1.450 2.782 -0.286 10 H ARG 2 H ARG 2 3.858 -0.346 -2.956 11 HA ARG 2 HA ARG 2 6.096 -0.497 -1.191 12 HB2 ARG 2 HB2 ARG 2 6.650 -2.839 -1.491 13 HB3 ARG 2 HB3 ARG 2 5.060 -2.698 -0.753 14 HG2 ARG 2 HG2 ARG 2 3.963 -3.378 -2.685 15 HG3 ARG 2 HG3 ARG 2 5.354 -3.023 -3.712 16 HD2 ARG 2 HD2 ARG 2 6.507 -4.929 -3.010 17 HD3 ARG 2 HD3 ARG 2 5.498 -5.122 -1.577 18 HE ARG 2 HE ARG 2 4.090 -5.399 -4.078 19 HH11 ARG 2 HH11 ARG 2 5.900 -7.020 -1.585 20 HH12 ARG 2 HH12 ARG 2 5.227 -8.579 -1.928 21 HH21 ARG 2 HH21 ARG 2 3.197 -7.447 -4.540 22 HH22 ARG 2 HH22 ARG 2 3.690 -8.821 -3.610 23 H ASP 3 H ASP 3 8.088 -0.646 -2.299 24 HA ASP 3 HA ASP 3 7.878 0.081 -5.120 25 HB2 ASP 3 HB2 ASP 3 10.463 0.077 -3.608 26 HB3 ASP 3 HB3 ASP 3 9.932 1.142 -4.906 27 H GLY 4 H GLY 4 8.822 -1.044 -6.776 28 HA2 GLY 4 HA2 GLY 4 10.771 -2.963 -6.716 29 HA3 GLY 4 HA3 GLY 4 9.300 -3.837 -6.317 30 H TYR 5 H TYR 5 10.201 -4.882 -8.408 31 HA TYR 5 HA TYR 5 9.541 -3.451 -10.835 32 HB2 TYR 5 HB2 TYR 5 10.469 -6.296 -10.395 33 HB3 TYR 5 HB3 TYR 5 10.267 -5.534 -11.968 34 HD1 TYR 5 HD1 TYR 5 12.506 -6.139 -9.271 35 HD2 TYR 5 HD2 TYR 5 11.660 -3.411 -12.424 36 HE1 TYR 5 HE1 TYR 5 14.812 -5.291 -9.148 37 HE2 TYR 5 HE2 TYR 5 13.963 -2.556 -12.311 38 HH TYR 5 HH TYR 5 16.040 -3.208 -9.741 39 H ILE 6 H ILE 6 7.695 -3.588 -11.948 40 HA ILE 6 HA ILE 6 5.474 -5.020 -10.826 41 HB ILE 6 HB ILE 6 4.109 -3.875 -12.312 42 HG12 ILE 6 HG12 ILE 6 6.515 -3.626 -14.126 43 HG13 ILE 6 HG13 ILE 6 5.086 -4.618 -14.395 44 HG21 ILE 6 HG21 ILE 6 6.167 -1.797 -12.523 45 HG22 ILE 6 HG22 ILE 6 4.578 -1.750 -11.760 46 HG23 ILE 6 HG23 ILE 6 5.947 -2.458 -10.903 47 HD11 ILE 6 HD11 ILE 6 4.025 -2.939 -15.366 48 HD12 ILE 6 HD12 ILE 6 4.366 -1.858 -14.015 49 HD13 ILE 6 HD13 ILE 6 5.542 -2.041 -15.316 50 H ALA 7 H ALA 7 4.234 -6.637 -11.843 51 HA ALA 7 HA ALA 7 5.669 -8.142 -13.934 52 HB1 ALA 7 HB1 ALA 7 5.850 -9.416 -11.948 53 HB2 ALA 7 HB2 ALA 7 4.152 -9.164 -11.545 54 HB3 ALA 7 HB3 ALA 7 4.592 -10.184 -12.915 55 H ASP 8 H ASP 8 4.291 -9.496 -15.306 56 HA ASP 8 HA ASP 8 1.797 -8.102 -15.928 57 HB2 ASP 8 HB2 ASP 8 1.913 -9.343 -18.078 58 HB3 ASP 8 HB3 ASP 8 3.341 -8.355 -17.779 59 H ASP 9 H ASP 9 0.344 -9.971 -17.232 60 HA ASP 9 HA ASP 9 -0.996 -11.315 -15.186 61 HB2 ASP 9 HB2 ASP 9 -1.016 -11.682 -18.180 62 HB3 ASP 9 HB3 ASP 9 -2.060 -12.614 -17.110 63 H LYS 10 H LYS 10 1.825 -12.179 -16.930 64 HA LYS 10 HA LYS 10 1.611 -14.986 -16.106 65 HB2 LYS 10 HB2 LYS 10 3.626 -13.660 -17.931 66 HB3 LYS 10 HB3 LYS 10 3.510 -15.384 -17.604 67 HG2 LYS 10 HG2 LYS 10 0.973 -14.726 -18.455 68 HG3 LYS 10 HG3 LYS 10 2.023 -13.738 -19.473 69 HD2 LYS 10 HD2 LYS 10 3.304 -15.749 -20.074 70 HD3 LYS 10 HD3 LYS 10 2.220 -16.725 -19.080 71 HE2 LYS 10 HE2 LYS 10 1.390 -15.070 -21.463 72 HE3 LYS 10 HE3 LYS 10 1.650 -16.814 -21.477 73 HZ1 LYS 10 HZ1 LYS 10 -0.362 -15.407 -19.804 74 HZ2 LYS 10 HZ2 LYS 10 -0.698 -16.221 -21.249 75 HZ3 LYS 10 HZ3 LYS 10 -0.140 -17.082 -19.904 76 H ASN 11 H ASN 11 2.209 -12.659 -14.322 77 HA ASN 11 HA ASN 11 3.622 -12.081 -12.630 78 HB2 ASN 11 HB2 ASN 11 3.010 -14.577 -12.204 79 HB3 ASN 11 HB3 ASN 11 4.679 -14.892 -12.670 80 HD21 ASN 11 HD21 ASN 11 6.237 -14.626 -11.208 81 HD22 ASN 11 HD22 ASN 11 6.017 -13.951 -9.633 82 H CYS 12 H CYS 12 4.632 -11.939 -15.421 83 HA CYS 12 HA CYS 12 7.509 -12.325 -14.998 84 HB2 CYS 12 HB2 CYS 12 5.916 -11.766 -17.507 85 HB3 CYS 12 HB3 CYS 12 7.672 -11.875 -17.457 86 H ALA 13 H ALA 13 8.924 -10.659 -14.916 87 HA ALA 13 HA ALA 13 8.035 -8.098 -14.205 88 HB1 ALA 13 HB1 ALA 13 10.141 -7.928 -13.532 89 HB2 ALA 13 HB2 ALA 13 10.501 -9.465 -14.318 90 HB3 ALA 13 HB3 ALA 13 10.705 -7.953 -15.203 91 H TYR 14 H TYR 14 7.927 -6.163 -15.299 92 HA TYR 14 HA TYR 14 7.274 -6.281 -18.055 93 HB2 TYR 14 HB2 TYR 14 7.420 -4.180 -15.972 94 HB3 TYR 14 HB3 TYR 14 7.565 -3.630 -17.637 95 HD1 TYR 14 HD1 TYR 14 5.510 -6.429 -16.301 96 HD2 TYR 14 HD2 TYR 14 5.533 -2.542 -18.032 97 HE1 TYR 14 HE1 TYR 14 3.064 -6.528 -16.541 98 HE2 TYR 14 HE2 TYR 14 3.088 -2.630 -18.276 99 HH TYR 14 HH TYR 14 1.338 -5.032 -18.405 100 H PHE 15 H PHE 15 8.940 -6.929 -19.341 101 HA PHE 15 HA PHE 15 11.601 -5.956 -19.098 102 HB2 PHE 15 HB2 PHE 15 10.425 -7.154 -21.601 103 HB3 PHE 15 HB3 PHE 15 12.089 -7.231 -21.031 104 HD1 PHE 15 HD1 PHE 15 11.761 -8.054 -18.250 105 HD2 PHE 15 HD2 PHE 15 9.710 -9.346 -21.748 106 HE1 PHE 15 HE1 PHE 15 11.293 -10.216 -17.173 107 HE2 PHE 15 HE2 PHE 15 9.238 -11.509 -20.677 108 HZ PHE 15 HZ PHE 15 10.029 -11.947 -18.386 109 H CYS 16 H CYS 16 11.099 -3.649 -19.010 110 HA CYS 16 HA CYS 16 10.214 -2.376 -21.456 111 HB2 CYS 16 HB2 CYS 16 10.461 -0.281 -20.204 112 HB3 CYS 16 HB3 CYS 16 9.522 -1.456 -19.290 113 H GLY 17 H GLY 17 11.630 -0.237 -21.914 114 HA2 GLY 17 HA2 GLY 17 14.482 -0.831 -21.866 115 HA3 GLY 17 HA3 GLY 17 13.728 -0.803 -23.453 116 H ARG 18 H ARG 18 12.358 1.321 -21.156 117 HA ARG 18 HA ARG 18 14.090 3.551 -21.747 118 HB2 ARG 18 HB2 ARG 18 11.851 3.032 -23.429 119 HB3 ARG 18 HB3 ARG 18 11.490 4.466 -22.477 120 HG2 ARG 18 HG2 ARG 18 13.708 5.387 -23.205 121 HG3 ARG 18 HG3 ARG 18 13.820 4.025 -24.321 122 HD2 ARG 18 HD2 ARG 18 12.261 4.871 -25.718 123 HD3 ARG 18 HD3 ARG 18 11.295 5.539 -24.403 124 HE ARG 18 HE ARG 18 13.566 7.085 -24.512 125 HH11 ARG 18 HH11 ARG 18 10.985 6.242 -26.691 126 HH12 ARG 18 HH12 ARG 18 11.060 7.736 -27.565 127 HH21 ARG 18 HH21 ARG 18 13.674 9.056 -25.655 128 HH22 ARG 18 HH22 ARG 18 12.591 9.335 -26.976 129 H ASN 19 H ASN 19 13.950 5.124 -20.224 130 HA ASN 19 HA ASN 19 12.685 4.589 -17.788 131 HB2 ASN 19 HB2 ASN 19 13.182 7.089 -17.354 132 HB3 ASN 19 HB3 ASN 19 14.543 6.012 -17.657 133 HD21 ASN 19 HD21 ASN 19 15.769 6.280 -19.462 134 HD22 ASN 19 HD22 ASN 19 15.575 7.599 -20.561 135 H ALA 20 H ALA 20 11.873 7.086 -20.204 136 HA ALA 20 HA ALA 20 9.596 8.104 -19.037 137 HB1 ALA 20 HB1 ALA 20 9.099 9.076 -21.077 138 HB2 ALA 20 HB2 ALA 20 10.833 8.782 -21.213 139 HB3 ALA 20 HB3 ALA 20 9.689 7.692 -21.998 140 H TYR 21 H TYR 21 9.832 5.333 -21.254 141 HA TYR 21 HA TYR 21 7.152 4.719 -21.505 142 HB2 TYR 21 HB2 TYR 21 8.649 3.511 -22.865 143 HB3 TYR 21 HB3 TYR 21 9.614 2.986 -21.490 144 HD1 TYR 21 HD1 TYR 21 6.495 2.434 -23.360 145 HD2 TYR 21 HD2 TYR 21 8.986 1.058 -20.198 146 HE1 TYR 21 HE1 TYR 21 5.223 0.330 -23.282 147 HE2 TYR 21 HE2 TYR 21 7.722 -1.050 -20.111 148 HH TYR 21 HH TYR 21 5.520 -1.974 -22.538 149 H CYS 22 H CYS 22 9.428 3.433 -19.082 150 HA CYS 22 HA CYS 22 7.591 1.895 -17.651 151 HB2 CYS 22 HB2 CYS 22 10.271 3.036 -17.129 152 HB3 CYS 22 HB3 CYS 22 9.330 2.607 -15.705 153 H ASP 23 H ASP 23 8.682 5.228 -17.050 154 HA ASP 23 HA ASP 23 7.264 5.811 -14.776 155 HB2 ASP 23 HB2 ASP 23 8.880 7.320 -15.988 156 HB3 ASP 23 HB3 ASP 23 7.569 7.727 -17.092 157 H GLU 24 H GLU 24 6.091 5.664 -18.087 158 HA GLU 24 HA GLU 24 3.531 6.782 -17.553 159 HB2 GLU 24 HB2 GLU 24 4.830 6.367 -19.820 160 HB3 GLU 24 HB3 GLU 24 3.944 4.849 -19.789 161 HG2 GLU 24 HG2 GLU 24 2.728 6.448 -21.091 162 HG3 GLU 24 HG3 GLU 24 1.838 6.115 -19.607 163 H GLU 25 H GLU 25 4.514 3.416 -18.217 164 HA GLU 25 HA GLU 25 2.058 2.233 -17.627 165 HB2 GLU 25 HB2 GLU 25 4.689 0.884 -17.074 166 HB3 GLU 25 HB3 GLU 25 3.185 0.163 -17.630 167 HG2 GLU 25 HG2 GLU 25 5.195 1.751 -19.167 168 HG3 GLU 25 HG3 GLU 25 4.527 0.158 -19.517 169 H CYS 26 H CYS 26 4.652 3.280 -15.536 170 HA CYS 26 HA CYS 26 3.873 1.884 -13.207 171 HB2 CYS 26 HB2 CYS 26 5.580 4.278 -13.765 172 HB3 CYS 26 HB3 CYS 26 5.130 3.916 -12.102 173 H LYS 27 H LYS 27 3.601 5.397 -13.735 174 HA LYS 27 HA LYS 27 1.790 5.913 -11.712 175 HB2 LYS 27 HB2 LYS 27 2.391 7.290 -14.309 176 HB3 LYS 27 HB3 LYS 27 1.098 7.883 -13.276 177 HG2 LYS 27 HG2 LYS 27 2.581 8.411 -11.536 178 HG3 LYS 27 HG3 LYS 27 3.884 7.456 -12.248 179 HD2 LYS 27 HD2 LYS 27 4.382 9.753 -12.648 180 HD3 LYS 27 HD3 LYS 27 3.870 9.051 -14.184 181 HE2 LYS 27 HE2 LYS 27 1.842 10.161 -14.164 182 HE3 LYS 27 HE3 LYS 27 1.862 10.379 -12.415 183 HZ1 LYS 27 HZ1 LYS 27 3.356 12.133 -12.574 184 HZ2 LYS 27 HZ2 LYS 27 3.842 11.725 -14.142 185 HZ3 LYS 27 HZ3 LYS 27 2.313 12.400 -13.879 186 H LYS 28 H LYS 28 1.196 4.830 -15.006 187 HA LYS 28 HA LYS 28 -1.586 5.200 -15.065 188 HB2 LYS 28 HB2 LYS 28 0.286 3.359 -16.527 189 HB3 LYS 28 HB3 LYS 28 -1.452 3.254 -16.772 190 HG2 LYS 28 HG2 LYS 28 -0.439 5.974 -16.977 191 HG3 LYS 28 HG3 LYS 28 0.279 4.871 -18.154 192 HD2 LYS 28 HD2 LYS 28 -2.690 5.060 -17.694 193 HD3 LYS 28 HD3 LYS 28 -1.841 6.059 -18.875 194 HE2 LYS 28 HE2 LYS 28 -0.897 3.637 -19.556 195 HE3 LYS 28 HE3 LYS 28 -2.477 3.174 -18.926 196 HZ1 LYS 28 HZ1 LYS 28 -1.936 4.136 -21.435 197 HZ2 LYS 28 HZ2 LYS 28 -3.466 3.959 -20.734 198 HZ3 LYS 28 HZ3 LYS 28 -2.657 5.443 -20.638 199 H LYS 29 H LYS 29 0.394 2.779 -13.566 200 HA LYS 29 HA LYS 29 -1.903 1.052 -13.045 201 HB2 LYS 29 HB2 LYS 29 1.049 0.752 -12.895 202 HB3 LYS 29 HB3 LYS 29 0.094 -0.191 -11.759 203 HG2 LYS 29 HG2 LYS 29 -1.250 -0.885 -13.871 204 HG3 LYS 29 HG3 LYS 29 0.191 -0.347 -14.737 205 HD2 LYS 29 HD2 LYS 29 1.342 -1.858 -12.837 206 HD3 LYS 29 HD3 LYS 29 -0.210 -2.688 -12.976 207 HE2 LYS 29 HE2 LYS 29 0.264 -2.559 -15.534 208 HE3 LYS 29 HE3 LYS 29 1.934 -2.311 -15.027 209 HZ1 LYS 29 HZ1 LYS 29 0.727 -4.715 -15.355 210 HZ2 LYS 29 HZ2 LYS 29 2.147 -4.445 -14.476 211 HZ3 LYS 29 HZ3 LYS 29 0.656 -4.499 -13.678 212 H GLY 30 H GLY 30 -1.460 3.774 -11.829 213 HA2 GLY 30 HA2 GLY 30 -2.290 4.574 -9.789 214 HA3 GLY 30 HA3 GLY 30 -2.094 2.968 -9.104 215 H ALA 31 H ALA 31 0.712 2.877 -10.181 216 HA ALA 31 HA ALA 31 2.124 3.503 -7.918 217 HB1 ALA 31 HB1 ALA 31 2.851 2.253 -10.065 218 HB2 ALA 31 HB2 ALA 31 3.415 3.837 -10.596 219 HB3 ALA 31 HB3 ALA 31 4.065 3.118 -9.123 220 H GLU 32 H GLU 32 3.841 5.181 -7.638 221 HA GLU 32 HA GLU 32 2.691 7.805 -8.192 222 HB2 GLU 32 HB2 GLU 32 3.515 6.966 -5.878 223 HB3 GLU 32 HB3 GLU 32 5.122 7.318 -6.498 224 HG2 GLU 32 HG2 GLU 32 4.540 9.239 -5.341 225 HG3 GLU 32 HG3 GLU 32 4.206 9.647 -7.023 226 H SER 33 H SER 33 5.514 5.871 -8.905 227 HA SER 33 HA SER 33 6.183 7.228 -11.235 228 HB2 SER 33 HB2 SER 33 7.076 8.593 -8.870 229 HB3 SER 33 HB3 SER 33 8.476 8.014 -9.773 230 HG SER 33 HG SER 33 7.216 8.972 -11.652 231 H GLY 34 H GLY 34 8.172 6.460 -12.208 232 HA2 GLY 34 HA2 GLY 34 9.777 4.501 -10.861 233 HA3 GLY 34 HA3 GLY 34 8.628 3.771 -11.971 234 H TYR 35 H TYR 35 10.808 3.045 -12.848 235 HA TYR 35 HA TYR 35 11.376 4.621 -15.182 236 HB2 TYR 35 HB2 TYR 35 13.821 4.789 -14.737 237 HB3 TYR 35 HB3 TYR 35 12.847 5.773 -13.651 238 HD1 TYR 35 HD1 TYR 35 14.780 2.626 -13.901 239 HD2 TYR 35 HD2 TYR 35 12.914 5.436 -11.308 240 HE1 TYR 35 HE1 TYR 35 15.865 1.556 -11.971 241 HE2 TYR 35 HE2 TYR 35 13.995 4.375 -9.371 242 HH TYR 35 HH TYR 35 15.692 2.946 -8.763 243 H CYS 36 H CYS 36 13.587 3.502 -16.161 244 HA CYS 36 HA CYS 36 13.002 0.613 -16.134 245 HB2 CYS 36 HB2 CYS 36 12.568 2.061 -18.263 246 HB3 CYS 36 HB3 CYS 36 14.318 1.994 -18.451 247 H GLN 37 H GLN 37 14.552 -0.608 -15.307 248 HA GLN 37 HA GLN 37 17.349 0.240 -15.623 249 HB2 GLN 37 HB2 GLN 37 16.966 0.781 -13.378 250 HB3 GLN 37 HB3 GLN 37 15.931 -0.617 -13.120 251 HG2 GLN 37 HG2 GLN 37 17.741 -2.081 -12.982 252 HG3 GLN 37 HG3 GLN 37 18.844 -0.930 -13.734 253 HE21 GLN 37 HE21 GLN 37 16.608 -0.882 -10.974 254 HE22 GLN 37 HE22 GLN 37 17.751 -0.255 -9.841 255 H TRP 38 H TRP 38 18.550 -1.261 -16.567 256 HA TRP 38 HA TRP 38 17.490 -3.907 -17.008 257 HB2 TRP 38 HB2 TRP 38 19.730 -4.200 -18.226 258 HB3 TRP 38 HB3 TRP 38 18.606 -3.010 -18.877 259 HD1 TRP 38 HD1 TRP 38 21.769 -3.116 -16.639 260 HE1 TRP 38 HE1 TRP 38 23.062 -0.918 -16.990 261 HE3 TRP 38 HE3 TRP 38 18.487 -0.731 -19.750 262 HZ2 TRP 38 HZ2 TRP 38 22.734 1.506 -18.399 263 HZ3 TRP 38 HZ3 TRP 38 19.051 1.524 -20.555 264 HH2 TRP 38 HH2 TRP 38 21.131 2.618 -19.892 265 H ALA 39 H ALA 39 17.695 -3.785 -14.378 266 HA ALA 39 HA ALA 39 19.978 -5.534 -13.791 267 HB1 ALA 39 HB1 ALA 39 20.241 -3.072 -13.004 268 HB2 ALA 39 HB2 ALA 39 19.103 -3.542 -11.742 269 HB3 ALA 39 HB3 ALA 39 20.643 -4.386 -11.899 270 H GLY 40 H GLY 40 19.665 -6.796 -11.772 271 HA2 GLY 40 HA2 GLY 40 18.121 -7.571 -10.059 272 HA3 GLY 40 HA3 GLY 40 16.806 -7.216 -11.169 273 H GLN 41 H GLN 41 17.223 -9.695 -9.834 274 HA GLN 41 HA GLN 41 18.516 -11.663 -11.280 275 HB2 GLN 41 HB2 GLN 41 17.609 -12.191 -9.136 276 HB3 GLN 41 HB3 GLN 41 15.980 -11.776 -9.652 277 HG2 GLN 41 HG2 GLN 41 16.303 -14.189 -9.482 278 HG3 GLN 41 HG3 GLN 41 15.923 -13.689 -11.129 279 HE21 GLN 41 HE21 GLN 41 16.826 -15.567 -11.980 280 HE22 GLN 41 HE22 GLN 41 18.535 -15.810 -12.053 281 H TYR 42 H TYR 42 15.592 -9.965 -12.019 282 HA TYR 42 HA TYR 42 14.945 -11.838 -14.177 283 HB2 TYR 42 HB2 TYR 42 13.183 -9.534 -13.922 284 HB3 TYR 42 HB3 TYR 42 12.798 -11.251 -13.882 285 HD1 TYR 42 HD1 TYR 42 12.985 -8.264 -11.986 286 HD2 TYR 42 HD2 TYR 42 13.319 -12.493 -11.659 287 HE1 TYR 42 HE1 TYR 42 12.559 -8.104 -9.568 288 HE2 TYR 42 HE2 TYR 42 12.893 -12.345 -9.241 289 HH TYR 42 HH TYR 42 11.709 -9.557 -7.749 290 H GLY 43 H GLY 43 17.289 -10.186 -14.370 291 HA2 GLY 43 HA2 GLY 43 18.344 -8.756 -15.827 292 HA3 GLY 43 HA3 GLY 43 17.158 -9.330 -16.990 293 H ASN 44 H ASN 44 16.231 -7.686 -17.999 294 HA ASN 44 HA ASN 44 16.040 -5.088 -16.739 295 HB2 ASN 44 HB2 ASN 44 16.458 -5.841 -19.312 296 HB3 ASN 44 HB3 ASN 44 14.726 -5.521 -19.352 297 HD21 ASN 44 HD21 ASN 44 14.898 -3.496 -17.259 298 HD22 ASN 44 HD22 ASN 44 15.582 -2.096 -18.007 299 H ALA 45 H ALA 45 14.427 -4.711 -15.371 300 HA ALA 45 HA ALA 45 11.715 -5.534 -16.154 301 HB1 ALA 45 HB1 ALA 45 12.367 -7.109 -14.477 302 HB2 ALA 45 HB2 ALA 45 12.955 -5.822 -13.424 303 HB3 ALA 45 HB3 ALA 45 11.228 -5.977 -13.747 304 H CYS 46 H CYS 46 10.115 -4.064 -15.775 305 HA CYS 46 HA CYS 46 10.834 -1.352 -15.465 306 HB2 CYS 46 HB2 CYS 46 8.768 -2.407 -16.634 307 HB3 CYS 46 HB3 CYS 46 8.037 -2.363 -15.033 308 H TRP 47 H TRP 47 11.155 -0.175 -13.700 309 HA TRP 47 HA TRP 47 10.424 -1.321 -11.103 310 HB2 TRP 47 HB2 TRP 47 12.776 -0.736 -11.371 311 HB3 TRP 47 HB3 TRP 47 12.338 0.913 -11.807 312 HD1 TRP 47 HD1 TRP 47 11.654 2.566 -9.842 313 HE1 TRP 47 HE1 TRP 47 11.939 2.439 -7.287 314 HE3 TRP 47 HE3 TRP 47 12.775 -2.402 -9.396 315 HZ2 TRP 47 HZ2 TRP 47 12.558 0.491 -5.340 316 HZ3 TRP 47 HZ3 TRP 47 13.200 -3.318 -7.153 317 HH2 TRP 47 HH2 TRP 47 13.094 -1.900 -5.168 318 H CYS 48 H CYS 48 9.042 -0.343 -9.718 319 HA CYS 48 HA CYS 48 7.999 2.307 -10.446 320 HB2 CYS 48 HB2 CYS 48 6.417 -0.178 -9.799 321 HB3 CYS 48 HB3 CYS 48 5.726 1.437 -9.669 322 H TYR 49 H TYR 49 6.887 3.402 -8.653 323 HA TYR 49 HA TYR 49 8.030 2.610 -6.055 324 HB2 TYR 49 HB2 TYR 49 7.676 5.282 -7.355 325 HB3 TYR 49 HB3 TYR 49 7.640 5.173 -5.599 326 HD1 TYR 49 HD1 TYR 49 9.721 5.042 -8.572 327 HD2 TYR 49 HD2 TYR 49 9.642 4.399 -4.366 328 HE1 TYR 49 HE1 TYR 49 12.180 5.070 -8.527 329 HE2 TYR 49 HE2 TYR 49 12.100 4.426 -4.310 330 HH TYR 49 HH TYR 49 13.988 3.899 -6.126 331 H LYS 50 H LYS 50 6.756 2.739 -4.220 332 HA LYS 50 HA LYS 50 4.810 2.354 -3.080 333 HB2 LYS 50 HB2 LYS 50 3.937 4.823 -4.590 334 HB3 LYS 50 HB3 LYS 50 3.282 4.243 -3.064 335 HG2 LYS 50 HG2 LYS 50 6.167 4.671 -3.002 336 HG3 LYS 50 HG3 LYS 50 5.236 6.131 -3.345 337 HD2 LYS 50 HD2 LYS 50 5.366 6.105 -1.019 338 HD3 LYS 50 HD3 LYS 50 3.777 5.410 -1.347 339 HE2 LYS 50 HE2 LYS 50 4.873 3.143 -1.206 340 HE3 LYS 50 HE3 LYS 50 6.312 3.963 -0.604 341 HZ1 LYS 50 HZ1 LYS 50 3.679 4.334 0.685 342 HZ2 LYS 50 HZ2 LYS 50 4.684 3.036 1.095 343 HZ3 LYS 50 HZ3 LYS 50 5.218 4.625 1.325 344 H LEU 51 H LEU 51 4.838 0.624 -5.102 345 HA LEU 51 HA LEU 51 2.657 0.810 -6.905 346 HB2 LEU 51 HB2 LEU 51 4.507 -1.343 -6.012 347 HB3 LEU 51 HB3 LEU 51 3.040 -1.801 -6.875 348 HG LEU 51 HG LEU 51 5.260 -0.034 -7.901 349 HD11 LEU 51 HD11 LEU 51 5.046 -2.803 -7.818 350 HD12 LEU 51 HD12 LEU 51 4.571 -2.365 -9.459 351 HD13 LEU 51 HD13 LEU 51 6.136 -1.852 -8.828 352 HD21 LEU 51 HD21 LEU 51 3.219 0.818 -8.781 353 HD22 LEU 51 HD22 LEU 51 3.965 -0.160 -10.045 354 HD23 LEU 51 HD23 LEU 51 2.612 -0.804 -9.113 355 HA PRO 52 HA PRO 52 -0.716 -0.215 -4.259 356 HB2 PRO 52 HB2 PRO 52 -2.479 -1.031 -6.155 357 HB3 PRO 52 HB3 PRO 52 -2.064 0.668 -5.896 358 HG2 PRO 52 HG2 PRO 52 -1.033 -1.242 -7.958 359 HG3 PRO 52 HG3 PRO 52 -1.516 0.454 -8.146 360 HD2 PRO 52 HD2 PRO 52 1.074 -0.309 -7.944 361 HD3 PRO 52 HD3 PRO 52 0.486 1.247 -7.323 362 H ASP 53 H ASP 53 -1.347 -1.970 -3.139 363 HA ASP 53 HA ASP 53 -0.137 -4.422 -3.329 364 HB2 ASP 53 HB2 ASP 53 -1.775 -3.371 -1.530 365 HB3 ASP 53 HB3 ASP 53 -2.966 -4.356 -2.376 366 H LYS 54 H LYS 54 -2.832 -3.220 -5.152 367 HA LYS 54 HA LYS 54 -3.872 -5.686 -6.058 368 HB2 LYS 54 HB2 LYS 54 -4.026 -2.855 -7.033 369 HB3 LYS 54 HB3 LYS 54 -4.660 -4.158 -8.029 370 HG2 LYS 54 HG2 LYS 54 -6.224 -4.784 -6.334 371 HG3 LYS 54 HG3 LYS 54 -5.497 -3.662 -5.181 372 HD2 LYS 54 HD2 LYS 54 -6.588 -2.662 -7.784 373 HD3 LYS 54 HD3 LYS 54 -7.672 -2.982 -6.428 374 HE2 LYS 54 HE2 LYS 54 -6.784 -1.293 -5.145 375 HE3 LYS 54 HE3 LYS 54 -5.224 -1.347 -5.963 376 HZ1 LYS 54 HZ1 LYS 54 -7.499 0.265 -6.533 377 HZ2 LYS 54 HZ2 LYS 54 -5.916 0.400 -7.118 378 HZ3 LYS 54 HZ3 LYS 54 -7.024 -0.612 -7.900 379 H VAL 55 H VAL 55 -1.378 -3.527 -7.326 380 HA VAL 55 HA VAL 55 -0.919 -5.214 -9.637 381 HB VAL 55 HB VAL 55 0.555 -2.768 -8.653 382 HG11 VAL 55 HG11 VAL 55 0.850 -4.286 -11.243 383 HG12 VAL 55 HG12 VAL 55 1.634 -2.755 -10.854 384 HG13 VAL 55 HG13 VAL 55 2.036 -4.209 -9.940 385 HG21 VAL 55 HG21 VAL 55 -0.597 -1.567 -10.362 386 HG22 VAL 55 HG22 VAL 55 -1.291 -3.051 -11.017 387 HG23 VAL 55 HG23 VAL 55 -1.805 -2.459 -9.437 388 HA PRO 56 HA PRO 56 1.880 -7.743 -7.201 389 HB2 PRO 56 HB2 PRO 56 2.263 -9.601 -9.143 390 HB3 PRO 56 HB3 PRO 56 0.824 -9.566 -8.118 391 HG2 PRO 56 HG2 PRO 56 1.189 -8.538 -10.906 392 HG3 PRO 56 HG3 PRO 56 -0.170 -9.445 -10.217 393 HD2 PRO 56 HD2 PRO 56 -0.238 -6.761 -10.569 394 HD3 PRO 56 HD3 PRO 56 -1.086 -7.571 -9.236 395 H ILE 57 H ILE 57 4.105 -8.311 -7.336 396 HA ILE 57 HA ILE 57 5.588 -6.887 -9.449 397 HB ILE 57 HB ILE 57 7.406 -6.562 -7.771 398 HG12 ILE 57 HG12 ILE 57 5.656 -6.799 -5.458 399 HG13 ILE 57 HG13 ILE 57 5.902 -8.349 -6.255 400 HG21 ILE 57 HG21 ILE 57 5.122 -5.079 -8.209 401 HG22 ILE 57 HG22 ILE 57 5.237 -5.152 -6.450 402 HG23 ILE 57 HG23 ILE 57 6.585 -4.522 -7.397 403 HD11 ILE 57 HD11 ILE 57 8.436 -7.344 -6.161 404 HD12 ILE 57 HD12 ILE 57 7.735 -6.748 -4.656 405 HD13 ILE 57 HD13 ILE 57 7.737 -8.477 -5.004 406 H LYS 58 H LYS 58 7.510 -7.826 -10.196 407 HA LYS 58 HA LYS 58 7.509 -10.652 -10.324 408 HB2 LYS 58 HB2 LYS 58 8.378 -9.390 -12.174 409 HB3 LYS 58 HB3 LYS 58 9.568 -8.602 -11.146 410 HG2 LYS 58 HG2 LYS 58 10.639 -10.286 -12.489 411 HG3 LYS 58 HG3 LYS 58 10.670 -10.774 -10.793 412 HD2 LYS 58 HD2 LYS 58 8.357 -11.921 -11.589 413 HD3 LYS 58 HD3 LYS 58 9.278 -11.985 -13.094 414 HE2 LYS 58 HE2 LYS 58 11.022 -12.767 -11.015 415 HE3 LYS 58 HE3 LYS 58 9.506 -13.632 -10.769 416 HZ1 LYS 58 HZ1 LYS 58 11.128 -14.793 -12.223 417 HZ2 LYS 58 HZ2 LYS 58 9.627 -14.523 -12.956 418 HZ3 LYS 58 HZ3 LYS 58 10.952 -13.551 -13.359 419 H VAL 59 H VAL 59 8.482 -12.146 -9.102 420 HA VAL 59 HA VAL 59 10.685 -11.365 -7.342 421 HB VAL 59 HB VAL 59 9.644 -12.687 -5.472 422 HG11 VAL 59 HG11 VAL 59 9.456 -10.053 -6.069 423 HG12 VAL 59 HG12 VAL 59 7.752 -10.478 -5.901 424 HG13 VAL 59 HG13 VAL 59 8.871 -10.775 -4.570 425 HG21 VAL 59 HG21 VAL 59 7.998 -13.940 -6.703 426 HG22 VAL 59 HG22 VAL 59 7.172 -12.916 -5.529 427 HG23 VAL 59 HG23 VAL 59 7.205 -12.456 -7.231 428 H SER 60 H SER 60 12.023 -13.090 -6.683 429 HA SER 60 HA SER 60 12.620 -15.012 -8.535 430 HB2 SER 60 HB2 SER 60 13.027 -15.284 -5.546 431 HB3 SER 60 HB3 SER 60 13.925 -16.135 -6.803 432 HG SER 60 HG SER 60 14.552 -13.853 -5.743 433 H GLY 61 H GLY 61 11.193 -16.410 -9.369 434 HA2 GLY 61 HA2 GLY 61 10.189 -18.537 -7.725 435 HA3 GLY 61 HA3 GLY 61 8.917 -17.452 -8.267 436 H LYS 62 H LYS 62 8.088 -17.707 -10.258 437 HA LYS 62 HA LYS 62 9.507 -18.848 -12.438 438 HB2 LYS 62 HB2 LYS 62 8.109 -20.662 -10.654 439 HB3 LYS 62 HB3 LYS 62 7.463 -20.744 -12.288 440 HG2 LYS 62 HG2 LYS 62 10.414 -20.858 -11.854 441 HG3 LYS 62 HG3 LYS 62 9.423 -22.294 -11.582 442 HD2 LYS 62 HD2 LYS 62 9.922 -22.591 -13.791 443 HD3 LYS 62 HD3 LYS 62 8.453 -21.627 -13.954 444 HE2 LYS 62 HE2 LYS 62 9.609 -19.726 -14.559 445 HE3 LYS 62 HE3 LYS 62 11.094 -20.250 -13.767 446 HZ1 LYS 62 HZ1 LYS 62 11.447 -21.857 -15.506 447 HZ2 LYS 62 HZ2 LYS 62 9.978 -21.453 -16.243 448 HZ3 LYS 62 HZ3 LYS 62 11.241 -20.327 -16.198 449 H CYS 63 H CYS 63 8.698 -17.791 -14.113 450 HA CYS 63 HA CYS 63 6.394 -16.257 -14.116 451 HB2 CYS 63 HB2 CYS 63 8.257 -17.272 -16.173 452 HB3 CYS 63 HB3 CYS 63 6.666 -16.802 -16.762 453 H ASN 64 H ASN 64 4.300 -16.542 -14.801 454 HA ASN 64 HA ASN 64 3.409 -18.996 -15.994 455 HB2 ASN 64 HB2 ASN 64 3.085 -18.511 -13.074 456 HB3 ASN 64 HB3 ASN 64 1.717 -19.206 -13.937 457 HD21 ASN 64 HD21 ASN 64 3.701 -20.249 -11.919 458 HD22 ASN 64 HD22 ASN 64 4.273 -21.724 -12.613 Start of MODEL 17 1 H1 VAL 1 H VAL 1 1.806 0.195 0.824 2 HA VAL 1 HA VAL 1 1.589 -0.432 -1.959 3 HB VAL 1 HB VAL 1 2.908 1.690 -2.622 4 HG11 VAL 1 HG11 VAL 1 -0.021 1.985 -1.973 5 HG12 VAL 1 HG12 VAL 1 0.882 2.825 -3.233 6 HG13 VAL 1 HG13 VAL 1 0.608 1.087 -3.353 7 HG21 VAL 1 HG21 VAL 1 3.134 2.419 -0.216 8 HG22 VAL 1 HG22 VAL 1 2.564 3.654 -1.340 9 HG23 VAL 1 HG23 VAL 1 1.422 2.840 -0.270 10 H ARG 2 H ARG 2 3.849 -0.204 -3.022 11 HA ARG 2 HA ARG 2 6.125 -0.243 -1.297 12 HB2 ARG 2 HB2 ARG 2 6.737 -2.618 -1.715 13 HB3 ARG 2 HB3 ARG 2 5.310 -2.432 -0.704 14 HG2 ARG 2 HG2 ARG 2 3.934 -3.363 -2.234 15 HG3 ARG 2 HG3 ARG 2 4.838 -2.713 -3.604 16 HD2 ARG 2 HD2 ARG 2 6.227 -4.501 -3.708 17 HD3 ARG 2 HD3 ARG 2 6.217 -4.745 -1.962 18 HE ARG 2 HE ARG 2 4.544 -6.029 -3.876 19 HH11 ARG 2 HH11 ARG 2 4.646 -4.841 -0.605 20 HH12 ARG 2 HH12 ARG 2 3.441 -5.945 -0.029 21 HH21 ARG 2 HH21 ARG 2 2.957 -7.487 -3.130 22 HH22 ARG 2 HH22 ARG 2 2.482 -7.450 -1.465 23 H ASP 3 H ASP 3 8.082 -0.273 -2.432 24 HA ASP 3 HA ASP 3 7.802 0.334 -5.270 25 HB2 ASP 3 HB2 ASP 3 10.437 0.463 -3.878 26 HB3 ASP 3 HB3 ASP 3 9.762 1.529 -5.107 27 H GLY 4 H GLY 4 8.697 -0.834 -6.908 28 HA2 GLY 4 HA2 GLY 4 10.741 -2.663 -6.839 29 HA3 GLY 4 HA3 GLY 4 9.315 -3.579 -6.375 30 H TYR 5 H TYR 5 10.377 -4.553 -8.510 31 HA TYR 5 HA TYR 5 9.585 -3.264 -10.946 32 HB2 TYR 5 HB2 TYR 5 10.403 -6.146 -10.552 33 HB3 TYR 5 HB3 TYR 5 10.422 -5.235 -12.057 34 HD1 TYR 5 HD1 TYR 5 11.741 -2.780 -11.479 35 HD2 TYR 5 HD2 TYR 5 12.556 -6.645 -9.898 36 HE1 TYR 5 HE1 TYR 5 14.067 -2.106 -11.045 37 HE2 TYR 5 HE2 TYR 5 14.883 -5.981 -9.459 38 HH TYR 5 HH TYR 5 16.014 -2.687 -10.138 39 H ILE 6 H ILE 6 7.707 -3.404 -11.989 40 HA ILE 6 HA ILE 6 5.523 -4.853 -10.812 41 HB ILE 6 HB ILE 6 4.114 -3.709 -12.248 42 HG12 ILE 6 HG12 ILE 6 6.452 -3.504 -14.153 43 HG13 ILE 6 HG13 ILE 6 4.988 -4.458 -14.363 44 HG21 ILE 6 HG21 ILE 6 6.014 -2.279 -10.927 45 HG22 ILE 6 HG22 ILE 6 6.153 -1.628 -12.560 46 HG23 ILE 6 HG23 ILE 6 4.602 -1.583 -11.722 47 HD11 ILE 6 HD11 ILE 6 4.268 -1.730 -13.974 48 HD12 ILE 6 HD12 ILE 6 5.499 -1.836 -15.233 49 HD13 ILE 6 HD13 ILE 6 4.006 -2.763 -15.379 50 H ALA 7 H ALA 7 4.339 -6.538 -11.718 51 HA ALA 7 HA ALA 7 5.738 -8.033 -13.839 52 HB1 ALA 7 HB1 ALA 7 4.287 -8.959 -11.389 53 HB2 ALA 7 HB2 ALA 7 4.483 -10.025 -12.781 54 HB3 ALA 7 HB3 ALA 7 5.903 -9.381 -11.956 55 H ASP 8 H ASP 8 4.360 -9.386 -15.216 56 HA ASP 8 HA ASP 8 1.892 -7.965 -15.885 57 HB2 ASP 8 HB2 ASP 8 2.028 -9.309 -18.009 58 HB3 ASP 8 HB3 ASP 8 3.385 -8.218 -17.741 59 H ASP 9 H ASP 9 0.411 -9.799 -17.175 60 HA ASP 9 HA ASP 9 -0.952 -11.126 -15.134 61 HB2 ASP 9 HB2 ASP 9 -0.991 -11.353 -18.128 62 HB3 ASP 9 HB3 ASP 9 -1.946 -12.457 -17.141 63 H LYS 10 H LYS 10 1.848 -12.039 -16.890 64 HA LYS 10 HA LYS 10 1.588 -14.841 -16.060 65 HB2 LYS 10 HB2 LYS 10 3.628 -13.563 -17.891 66 HB3 LYS 10 HB3 LYS 10 3.458 -15.284 -17.573 67 HG2 LYS 10 HG2 LYS 10 0.957 -14.661 -18.416 68 HG3 LYS 10 HG3 LYS 10 1.933 -13.533 -19.360 69 HD2 LYS 10 HD2 LYS 10 3.313 -15.401 -20.148 70 HD3 LYS 10 HD3 LYS 10 2.321 -16.523 -19.214 71 HE2 LYS 10 HE2 LYS 10 1.026 -14.701 -21.194 72 HE3 LYS 10 HE3 LYS 10 1.857 -16.148 -21.760 73 HZ1 LYS 10 HZ1 LYS 10 -0.514 -15.951 -20.014 74 HZ2 LYS 10 HZ2 LYS 10 -0.319 -16.838 -21.442 75 HZ3 LYS 10 HZ3 LYS 10 0.444 -17.346 -20.020 76 H ASN 11 H ASN 11 2.250 -12.505 -14.297 77 HA ASN 11 HA ASN 11 3.676 -11.959 -12.607 78 HB2 ASN 11 HB2 ASN 11 3.047 -14.485 -12.229 79 HB3 ASN 11 HB3 ASN 11 4.742 -14.758 -12.623 80 HD21 ASN 11 HD21 ASN 11 6.335 -14.010 -11.236 81 HD22 ASN 11 HD22 ASN 11 5.989 -13.518 -9.616 82 H CYS 12 H CYS 12 4.667 -11.783 -15.384 83 HA CYS 12 HA CYS 12 7.541 -12.230 -14.996 84 HB2 CYS 12 HB2 CYS 12 5.761 -12.045 -17.364 85 HB3 CYS 12 HB3 CYS 12 7.390 -11.404 -17.550 86 H ALA 13 H ALA 13 8.995 -10.586 -14.955 87 HA ALA 13 HA ALA 13 8.155 -8.020 -14.189 88 HB1 ALA 13 HB1 ALA 13 10.793 -7.838 -15.194 89 HB2 ALA 13 HB2 ALA 13 10.266 -7.958 -13.515 90 HB3 ALA 13 HB3 ALA 13 10.620 -9.421 -14.435 91 H TYR 14 H TYR 14 8.004 -6.088 -15.263 92 HA TYR 14 HA TYR 14 7.340 -6.173 -18.017 93 HB2 TYR 14 HB2 TYR 14 7.470 -4.106 -15.902 94 HB3 TYR 14 HB3 TYR 14 7.620 -3.524 -17.557 95 HD1 TYR 14 HD1 TYR 14 5.594 -2.472 -18.016 96 HD2 TYR 14 HD2 TYR 14 5.564 -6.323 -16.205 97 HE1 TYR 14 HE1 TYR 14 3.150 -2.568 -18.274 98 HE2 TYR 14 HE2 TYR 14 3.120 -6.430 -16.460 99 HH TYR 14 HH TYR 14 1.318 -5.458 -17.359 100 H PHE 15 H PHE 15 9.028 -6.819 -19.290 101 HA PHE 15 HA PHE 15 11.668 -5.789 -19.053 102 HB2 PHE 15 HB2 PHE 15 10.509 -7.054 -21.531 103 HB3 PHE 15 HB3 PHE 15 12.183 -7.065 -20.986 104 HD1 PHE 15 HD1 PHE 15 11.872 -7.833 -18.165 105 HD2 PHE 15 HD2 PHE 15 9.918 -9.291 -21.654 106 HE1 PHE 15 HE1 PHE 15 11.494 -9.992 -17.047 107 HE2 PHE 15 HE2 PHE 15 9.536 -11.452 -20.542 108 HZ PHE 15 HZ PHE 15 10.324 -11.804 -18.235 109 H CYS 16 H CYS 16 11.021 -3.488 -18.981 110 HA CYS 16 HA CYS 16 10.109 -2.255 -21.418 111 HB2 CYS 16 HB2 CYS 16 10.425 -0.138 -20.198 112 HB3 CYS 16 HB3 CYS 16 9.487 -1.296 -19.260 113 H GLY 17 H GLY 17 11.464 -0.165 -22.049 114 HA2 GLY 17 HA2 GLY 17 14.330 -0.709 -22.069 115 HA3 GLY 17 HA3 GLY 17 13.516 -0.743 -23.626 116 H ARG 18 H ARG 18 12.172 1.439 -21.385 117 HA ARG 18 HA ARG 18 13.860 3.671 -22.110 118 HB2 ARG 18 HB2 ARG 18 11.346 3.112 -23.497 119 HB3 ARG 18 HB3 ARG 18 11.402 4.722 -22.793 120 HG2 ARG 18 HG2 ARG 18 13.833 4.605 -23.972 121 HG3 ARG 18 HG3 ARG 18 12.879 3.600 -25.065 122 HD2 ARG 18 HD2 ARG 18 12.348 5.565 -26.020 123 HD3 ARG 18 HD3 ARG 18 11.193 5.682 -24.693 124 HE ARG 18 HE ARG 18 13.418 6.791 -23.648 125 HH11 ARG 18 HH11 ARG 18 11.676 7.317 -26.616 126 HH12 ARG 18 HH12 ARG 18 12.106 8.992 -26.724 127 HH21 ARG 18 HH21 ARG 18 13.991 8.995 -23.779 128 HH22 ARG 18 HH22 ARG 18 13.424 9.945 -25.110 129 H ASN 19 H ASN 19 13.876 5.159 -20.534 130 HA ASN 19 HA ASN 19 12.688 4.729 -18.068 131 HB2 ASN 19 HB2 ASN 19 13.170 7.270 -17.756 132 HB3 ASN 19 HB3 ASN 19 14.519 6.168 -18.014 133 HD21 ASN 19 HD21 ASN 19 15.747 6.353 -19.818 134 HD22 ASN 19 HD22 ASN 19 15.542 7.599 -20.997 135 H ALA 20 H ALA 20 11.765 7.216 -20.457 136 HA ALA 20 HA ALA 20 9.529 8.218 -19.214 137 HB1 ALA 20 HB1 ALA 20 10.531 9.110 -21.293 138 HB2 ALA 20 HB2 ALA 20 9.805 7.772 -22.183 139 HB3 ALA 20 HB3 ALA 20 8.776 8.958 -21.381 140 H TYR 21 H TYR 21 9.695 5.424 -21.407 141 HA TYR 21 HA TYR 21 7.016 4.790 -21.561 142 HB2 TYR 21 HB2 TYR 21 8.467 3.556 -22.940 143 HB3 TYR 21 HB3 TYR 21 9.488 3.076 -21.589 144 HD1 TYR 21 HD1 TYR 21 6.331 2.428 -23.351 145 HD2 TYR 21 HD2 TYR 21 8.909 1.190 -20.201 146 HE1 TYR 21 HE1 TYR 21 5.086 0.314 -23.171 147 HE2 TYR 21 HE2 TYR 21 7.673 -0.928 -20.014 148 HH TYR 21 HH TYR 21 5.232 -1.691 -20.599 149 H CYS 22 H CYS 22 9.366 3.616 -19.156 150 HA CYS 22 HA CYS 22 7.601 2.068 -17.648 151 HB2 CYS 22 HB2 CYS 22 10.257 3.295 -17.216 152 HB3 CYS 22 HB3 CYS 22 9.355 2.898 -15.757 153 H ASP 23 H ASP 23 8.578 5.458 -17.202 154 HA ASP 23 HA ASP 23 7.181 6.059 -14.907 155 HB2 ASP 23 HB2 ASP 23 8.749 7.576 -16.171 156 HB3 ASP 23 HB3 ASP 23 7.420 7.920 -17.275 157 H GLU 24 H GLU 24 5.983 5.792 -18.200 158 HA GLU 24 HA GLU 24 3.399 6.858 -17.666 159 HB2 GLU 24 HB2 GLU 24 4.385 6.758 -19.932 160 HB3 GLU 24 HB3 GLU 24 4.274 5.004 -19.887 161 HG2 GLU 24 HG2 GLU 24 1.977 5.008 -20.082 162 HG3 GLU 24 HG3 GLU 24 1.825 6.656 -19.476 163 H GLU 25 H GLU 25 4.415 3.504 -18.348 164 HA GLU 25 HA GLU 25 2.006 2.286 -17.667 165 HB2 GLU 25 HB2 GLU 25 4.673 0.980 -17.189 166 HB3 GLU 25 HB3 GLU 25 3.165 0.234 -17.697 167 HG2 GLU 25 HG2 GLU 25 5.108 1.838 -19.299 168 HG3 GLU 25 HG3 GLU 25 4.438 0.241 -19.627 169 H CYS 26 H CYS 26 4.586 3.470 -15.661 170 HA CYS 26 HA CYS 26 3.956 2.042 -13.301 171 HB2 CYS 26 HB2 CYS 26 5.546 4.486 -13.948 172 HB3 CYS 26 HB3 CYS 26 5.130 4.178 -12.265 173 H LYS 27 H LYS 27 3.414 5.504 -13.973 174 HA LYS 27 HA LYS 27 1.680 5.987 -11.859 175 HB2 LYS 27 HB2 LYS 27 2.694 7.786 -13.147 176 HB3 LYS 27 HB3 LYS 27 1.781 7.314 -14.574 177 HG2 LYS 27 HG2 LYS 27 -0.309 7.790 -13.229 178 HG3 LYS 27 HG3 LYS 27 0.752 8.547 -12.038 179 HD2 LYS 27 HD2 LYS 27 0.615 9.320 -14.952 180 HD3 LYS 27 HD3 LYS 27 -0.238 10.155 -13.652 181 HE2 LYS 27 HE2 LYS 27 1.645 11.448 -13.798 182 HE3 LYS 27 HE3 LYS 27 2.170 10.270 -12.597 183 HZ1 LYS 27 HZ1 LYS 27 2.663 9.507 -15.342 184 HZ2 LYS 27 HZ2 LYS 27 3.529 10.866 -14.826 185 HZ3 LYS 27 HZ3 LYS 27 3.675 9.402 -13.989 186 H LYS 28 H LYS 28 0.969 4.913 -15.155 187 HA LYS 28 HA LYS 28 -1.821 5.042 -15.030 188 HB2 LYS 28 HB2 LYS 28 -1.728 4.166 -17.099 189 HB3 LYS 28 HB3 LYS 28 0.016 4.310 -16.927 190 HG2 LYS 28 HG2 LYS 28 0.105 1.998 -16.096 191 HG3 LYS 28 HG3 LYS 28 -1.637 1.862 -16.344 192 HD2 LYS 28 HD2 LYS 28 -0.365 2.852 -18.725 193 HD3 LYS 28 HD3 LYS 28 0.402 1.351 -18.201 194 HE2 LYS 28 HE2 LYS 28 -1.384 0.778 -19.675 195 HE3 LYS 28 HE3 LYS 28 -1.876 0.338 -18.041 196 HZ1 LYS 28 HZ1 LYS 28 -3.483 1.633 -19.614 197 HZ2 LYS 28 HZ2 LYS 28 -3.428 1.993 -17.962 198 HZ3 LYS 28 HZ3 LYS 28 -2.619 2.982 -19.070 199 H LYS 29 H LYS 29 0.412 2.802 -13.635 200 HA LYS 29 HA LYS 29 -1.693 0.866 -13.043 201 HB2 LYS 29 HB2 LYS 29 1.298 0.849 -12.691 202 HB3 LYS 29 HB3 LYS 29 0.271 -0.374 -11.954 203 HG2 LYS 29 HG2 LYS 29 -0.231 0.038 -14.804 204 HG3 LYS 29 HG3 LYS 29 1.393 -0.542 -14.429 205 HD2 LYS 29 HD2 LYS 29 0.024 -2.190 -12.858 206 HD3 LYS 29 HD3 LYS 29 -1.240 -1.864 -14.046 207 HE2 LYS 29 HE2 LYS 29 1.543 -2.834 -14.692 208 HE3 LYS 29 HE3 LYS 29 0.113 -3.859 -14.593 209 HZ1 LYS 29 HZ1 LYS 29 0.995 -2.702 -16.843 210 HZ2 LYS 29 HZ2 LYS 29 -0.608 -3.182 -16.587 211 HZ3 LYS 29 HZ3 LYS 29 -0.157 -1.570 -16.337 212 H GLY 30 H GLY 30 -1.492 3.614 -11.837 213 HA2 GLY 30 HA2 GLY 30 -2.307 4.350 -9.773 214 HA3 GLY 30 HA3 GLY 30 -1.975 2.761 -9.101 215 H ALA 31 H ALA 31 0.801 2.846 -10.201 216 HA ALA 31 HA ALA 31 2.197 3.612 -7.969 217 HB1 ALA 31 HB1 ALA 31 3.005 2.326 -10.030 218 HB2 ALA 31 HB2 ALA 31 3.389 3.909 -10.706 219 HB3 ALA 31 HB3 ALA 31 4.162 3.377 -9.213 220 H GLU 32 H GLU 32 3.787 5.400 -7.724 221 HA GLU 32 HA GLU 32 2.490 7.933 -8.376 222 HB2 GLU 32 HB2 GLU 32 3.311 7.217 -6.021 223 HB3 GLU 32 HB3 GLU 32 4.908 7.643 -6.619 224 HG2 GLU 32 HG2 GLU 32 4.331 9.898 -6.883 225 HG3 GLU 32 HG3 GLU 32 2.606 9.558 -6.752 226 H SER 33 H SER 33 5.417 6.136 -8.998 227 HA SER 33 HA SER 33 6.059 7.476 -11.344 228 HB2 SER 33 HB2 SER 33 6.885 8.903 -8.970 229 HB3 SER 33 HB3 SER 33 8.291 8.422 -9.919 230 HG SER 33 HG SER 33 7.000 9.320 -11.759 231 H GLY 34 H GLY 34 8.090 6.779 -12.274 232 HA2 GLY 34 HA2 GLY 34 9.843 5.010 -10.899 233 HA3 GLY 34 HA3 GLY 34 8.679 4.106 -11.856 234 H TYR 35 H TYR 35 10.601 3.339 -12.995 235 HA TYR 35 HA TYR 35 10.971 4.708 -15.441 236 HB2 TYR 35 HB2 TYR 35 13.531 4.946 -15.090 237 HB3 TYR 35 HB3 TYR 35 12.469 6.196 -14.451 238 HD1 TYR 35 HD1 TYR 35 13.472 2.836 -13.154 239 HD2 TYR 35 HD2 TYR 35 13.378 7.040 -12.504 240 HE1 TYR 35 HE1 TYR 35 14.440 2.506 -10.917 241 HE2 TYR 35 HE2 TYR 35 14.346 6.722 -10.266 242 HH TYR 35 HH TYR 35 14.933 3.486 -8.961 243 H CYS 36 H CYS 36 13.145 3.673 -16.513 244 HA CYS 36 HA CYS 36 12.694 0.789 -16.304 245 HB2 CYS 36 HB2 CYS 36 12.676 2.238 -18.507 246 HB3 CYS 36 HB3 CYS 36 14.421 2.020 -18.413 247 H GLN 37 H GLN 37 13.968 -0.139 -14.824 248 HA GLN 37 HA GLN 37 16.858 0.360 -15.009 249 HB2 GLN 37 HB2 GLN 37 15.940 1.551 -13.043 250 HB3 GLN 37 HB3 GLN 37 15.313 0.025 -12.431 251 HG2 GLN 37 HG2 GLN 37 17.248 -0.444 -11.475 252 HG3 GLN 37 HG3 GLN 37 18.101 -0.247 -13.006 253 HE21 GLN 37 HE21 GLN 37 16.325 2.097 -11.042 254 HE22 GLN 37 HE22 GLN 37 17.661 3.165 -10.793 255 H TRP 38 H TRP 38 18.183 -1.409 -14.665 256 HA TRP 38 HA TRP 38 17.200 -3.920 -15.383 257 HB2 TRP 38 HB2 TRP 38 19.434 -4.771 -14.644 258 HB3 TRP 38 HB3 TRP 38 19.522 -3.384 -15.725 259 HD1 TRP 38 HD1 TRP 38 19.222 -3.625 -11.851 260 HE1 TRP 38 HE1 TRP 38 21.032 -2.107 -10.830 261 HE3 TRP 38 HE3 TRP 38 21.417 -1.969 -16.161 262 HZ2 TRP 38 HZ2 TRP 38 23.115 -0.429 -11.733 263 HZ3 TRP 38 HZ3 TRP 38 23.312 -0.409 -15.995 264 HH2 TRP 38 HH2 TRP 38 24.142 0.345 -13.826 265 H ALA 39 H ALA 39 18.084 -5.864 -13.790 266 HA ALA 39 HA ALA 39 17.056 -5.427 -11.093 267 HB1 ALA 39 HB1 ALA 39 15.987 -7.701 -12.744 268 HB2 ALA 39 HB2 ALA 39 15.431 -7.136 -11.169 269 HB3 ALA 39 HB3 ALA 39 15.159 -6.150 -12.606 270 H GLY 40 H GLY 40 18.229 -7.938 -13.343 271 HA2 GLY 40 HA2 GLY 40 20.487 -8.837 -12.828 272 HA3 GLY 40 HA3 GLY 40 19.961 -8.913 -11.153 273 H GLN 41 H GLN 41 18.258 -10.425 -10.603 274 HA GLN 41 HA GLN 41 18.699 -12.987 -11.581 275 HB2 GLN 41 HB2 GLN 41 17.610 -12.308 -9.386 276 HB3 GLN 41 HB3 GLN 41 16.121 -12.093 -10.297 277 HG2 GLN 41 HG2 GLN 41 15.832 -14.331 -10.630 278 HG3 GLN 41 HG3 GLN 41 17.558 -14.679 -10.541 279 HE21 GLN 41 HE21 GLN 41 17.442 -16.282 -9.042 280 HE22 GLN 41 HE22 GLN 41 16.947 -16.031 -7.406 281 H TYR 42 H TYR 42 15.979 -10.796 -12.269 282 HA TYR 42 HA TYR 42 15.220 -12.531 -14.513 283 HB2 TYR 42 HB2 TYR 42 13.335 -10.437 -14.160 284 HB3 TYR 42 HB3 TYR 42 13.123 -12.156 -13.846 285 HD1 TYR 42 HD1 TYR 42 13.611 -8.879 -12.376 286 HD2 TYR 42 HD2 TYR 42 13.551 -13.056 -11.571 287 HE1 TYR 42 HE1 TYR 42 13.400 -8.406 -9.971 288 HE2 TYR 42 HE2 TYR 42 13.339 -12.595 -9.164 289 HH TYR 42 HH TYR 42 14.046 -9.800 -7.759 290 H GLY 43 H GLY 43 17.495 -10.683 -14.569 291 HA2 GLY 43 HA2 GLY 43 18.450 -9.196 -16.034 292 HA3 GLY 43 HA3 GLY 43 17.141 -9.605 -17.133 293 H ASN 44 H ASN 44 16.286 -7.780 -17.873 294 HA ASN 44 HA ASN 44 16.206 -5.398 -16.230 295 HB2 ASN 44 HB2 ASN 44 15.771 -6.043 -19.093 296 HB3 ASN 44 HB3 ASN 44 14.883 -4.661 -18.457 297 HD21 ASN 44 HD21 ASN 44 18.097 -5.864 -17.619 298 HD22 ASN 44 HD22 ASN 44 18.945 -4.430 -18.075 299 H ALA 45 H ALA 45 14.328 -4.277 -15.631 300 HA ALA 45 HA ALA 45 11.716 -5.343 -16.141 301 HB1 ALA 45 HB1 ALA 45 11.133 -5.998 -13.911 302 HB2 ALA 45 HB2 ALA 45 12.578 -6.889 -14.390 303 HB3 ALA 45 HB3 ALA 45 12.713 -5.507 -13.302 304 H CYS 46 H CYS 46 10.146 -3.839 -15.811 305 HA CYS 46 HA CYS 46 10.912 -1.145 -15.436 306 HB2 CYS 46 HB2 CYS 46 8.902 -2.069 -16.738 307 HB3 CYS 46 HB3 CYS 46 8.090 -2.167 -15.179 308 H TRP 47 H TRP 47 11.194 -0.009 -13.639 309 HA TRP 47 HA TRP 47 10.288 -1.164 -11.098 310 HB2 TRP 47 HB2 TRP 47 12.615 -0.772 -11.019 311 HB3 TRP 47 HB3 TRP 47 12.462 0.798 -11.803 312 HD1 TRP 47 HD1 TRP 47 11.443 2.820 -10.259 313 HE1 TRP 47 HE1 TRP 47 11.591 3.193 -7.717 314 HE3 TRP 47 HE3 TRP 47 12.699 -1.920 -8.814 315 HZ2 TRP 47 HZ2 TRP 47 12.164 1.679 -5.405 316 HZ3 TRP 47 HZ3 TRP 47 13.030 -2.374 -6.419 317 HH2 TRP 47 HH2 TRP 47 12.768 -0.611 -4.751 318 H CYS 48 H CYS 48 8.931 -0.103 -9.738 319 HA CYS 48 HA CYS 48 8.062 2.602 -10.493 320 HB2 CYS 48 HB2 CYS 48 6.276 0.260 -9.809 321 HB3 CYS 48 HB3 CYS 48 5.720 1.927 -9.908 322 H TYR 49 H TYR 49 6.917 3.735 -8.731 323 HA TYR 49 HA TYR 49 8.013 2.938 -6.117 324 HB2 TYR 49 HB2 TYR 49 7.547 5.605 -7.396 325 HB3 TYR 49 HB3 TYR 49 7.528 5.474 -5.641 326 HD1 TYR 49 HD1 TYR 49 9.589 4.405 -4.525 327 HD2 TYR 49 HD2 TYR 49 9.571 5.834 -8.533 328 HE1 TYR 49 HE1 TYR 49 12.045 4.533 -4.484 329 HE2 TYR 49 HE2 TYR 49 12.027 5.965 -8.504 330 HH TYR 49 HH TYR 49 13.879 5.557 -7.348 331 H LYS 50 H LYS 50 6.719 2.962 -4.303 332 HA LYS 50 HA LYS 50 4.777 2.479 -3.191 333 HB2 LYS 50 HB2 LYS 50 3.827 4.963 -4.626 334 HB3 LYS 50 HB3 LYS 50 3.204 4.321 -3.112 335 HG2 LYS 50 HG2 LYS 50 6.064 4.814 -3.017 336 HG3 LYS 50 HG3 LYS 50 5.131 6.265 -3.390 337 HD2 LYS 50 HD2 LYS 50 5.183 6.279 -1.072 338 HD3 LYS 50 HD3 LYS 50 3.632 5.510 -1.414 339 HE2 LYS 50 HE2 LYS 50 4.399 3.988 0.073 340 HE3 LYS 50 HE3 LYS 50 5.200 3.337 -1.357 341 HZ1 LYS 50 HZ1 LYS 50 6.551 5.368 0.294 342 HZ2 LYS 50 HZ2 LYS 50 6.564 3.746 0.773 343 HZ3 LYS 50 HZ3 LYS 50 7.227 4.192 -0.718 344 H LEU 51 H LEU 51 4.770 0.710 -5.060 345 HA LEU 51 HA LEU 51 2.627 0.918 -6.946 346 HB2 LEU 51 HB2 LEU 51 4.531 -1.203 -6.091 347 HB3 LEU 51 HB3 LEU 51 3.077 -1.684 -6.964 348 HG LEU 51 HG LEU 51 5.204 0.206 -7.970 349 HD11 LEU 51 HD11 LEU 51 4.659 -2.266 -9.426 350 HD12 LEU 51 HD12 LEU 51 6.195 -1.521 -8.985 351 HD13 LEU 51 HD13 LEU 51 5.331 -2.518 -7.815 352 HD21 LEU 51 HD21 LEU 51 3.983 0.099 -10.089 353 HD22 LEU 51 HD22 LEU 51 2.726 -0.866 -9.315 354 HD23 LEU 51 HD23 LEU 51 2.996 0.801 -8.807 355 HA PRO 52 HA PRO 52 -0.754 -0.305 -4.411 356 HB2 PRO 52 HB2 PRO 52 -2.381 -1.355 -6.314 357 HB3 PRO 52 HB3 PRO 52 -2.107 0.382 -6.137 358 HG2 PRO 52 HG2 PRO 52 -0.859 -1.548 -8.056 359 HG3 PRO 52 HG3 PRO 52 -1.463 0.093 -8.353 360 HD2 PRO 52 HD2 PRO 52 1.169 -0.454 -8.027 361 HD3 PRO 52 HD3 PRO 52 0.442 1.081 -7.512 362 H ASP 53 H ASP 53 -1.189 -2.030 -3.176 363 HA ASP 53 HA ASP 53 0.182 -4.404 -3.268 364 HB2 ASP 53 HB2 ASP 53 -1.473 -3.361 -1.479 365 HB3 ASP 53 HB3 ASP 53 -2.617 -4.469 -2.233 366 H LYS 54 H LYS 54 -2.626 -3.478 -5.078 367 HA LYS 54 HA LYS 54 -3.529 -6.054 -5.814 368 HB2 LYS 54 HB2 LYS 54 -3.806 -3.453 -7.333 369 HB3 LYS 54 HB3 LYS 54 -4.762 -4.907 -7.589 370 HG2 LYS 54 HG2 LYS 54 -4.839 -4.014 -4.830 371 HG3 LYS 54 HG3 LYS 54 -5.412 -2.783 -5.958 372 HD2 LYS 54 HD2 LYS 54 -6.370 -5.626 -6.100 373 HD3 LYS 54 HD3 LYS 54 -7.130 -4.442 -5.035 374 HE2 LYS 54 HE2 LYS 54 -6.749 -4.004 -7.989 375 HE3 LYS 54 HE3 LYS 54 -8.200 -4.732 -7.301 376 HZ1 LYS 54 HZ1 LYS 54 -8.971 -2.711 -6.908 377 HZ2 LYS 54 HZ2 LYS 54 -7.660 -2.382 -5.891 378 HZ3 LYS 54 HZ3 LYS 54 -7.565 -2.013 -7.539 379 H VAL 55 H VAL 55 -1.188 -3.829 -7.238 380 HA VAL 55 HA VAL 55 -0.695 -5.593 -9.486 381 HB VAL 55 HB VAL 55 0.643 -3.014 -8.657 382 HG11 VAL 55 HG11 VAL 55 1.524 -5.037 -10.467 383 HG12 VAL 55 HG12 VAL 55 1.095 -3.592 -11.383 384 HG13 VAL 55 HG13 VAL 55 2.279 -3.492 -10.079 385 HG21 VAL 55 HG21 VAL 55 -0.785 -1.904 -10.024 386 HG22 VAL 55 HG22 VAL 55 -0.933 -3.254 -11.149 387 HG23 VAL 55 HG23 VAL 55 -1.836 -3.265 -9.634 388 HA PRO 56 HA PRO 56 2.305 -7.831 -7.000 389 HB2 PRO 56 HB2 PRO 56 2.736 -9.769 -8.852 390 HB3 PRO 56 HB3 PRO 56 1.326 -9.756 -7.785 391 HG2 PRO 56 HG2 PRO 56 1.555 -8.866 -10.634 392 HG3 PRO 56 HG3 PRO 56 0.269 -9.806 -9.856 393 HD2 PRO 56 HD2 PRO 56 0.041 -7.153 -10.349 394 HD3 PRO 56 HD3 PRO 56 -0.723 -7.933 -8.949 395 H ILE 57 H ILE 57 4.554 -8.524 -7.345 396 HA ILE 57 HA ILE 57 5.892 -6.933 -9.435 397 HB ILE 57 HB ILE 57 7.807 -6.689 -7.891 398 HG12 ILE 57 HG12 ILE 57 6.168 -7.381 -5.529 399 HG13 ILE 57 HG13 ILE 57 6.719 -8.745 -6.495 400 HG21 ILE 57 HG21 ILE 57 5.499 -5.237 -7.974 401 HG22 ILE 57 HG22 ILE 57 5.665 -5.561 -6.248 402 HG23 ILE 57 HG23 ILE 57 6.968 -4.758 -7.124 403 HD11 ILE 57 HD11 ILE 57 8.134 -7.341 -4.533 404 HD12 ILE 57 HD12 ILE 57 8.731 -8.615 -5.596 405 HD13 ILE 57 HD13 ILE 57 8.883 -6.925 -6.075 406 H LYS 58 H LYS 58 7.965 -7.755 -10.160 407 HA LYS 58 HA LYS 58 7.880 -10.516 -10.756 408 HB2 LYS 58 HB2 LYS 58 8.930 -9.007 -12.302 409 HB3 LYS 58 HB3 LYS 58 10.066 -8.457 -11.077 410 HG2 LYS 58 HG2 LYS 58 11.166 -9.948 -12.620 411 HG3 LYS 58 HG3 LYS 58 11.072 -10.697 -11.025 412 HD2 LYS 58 HD2 LYS 58 8.748 -11.533 -12.234 413 HD3 LYS 58 HD3 LYS 58 9.908 -11.540 -13.565 414 HE2 LYS 58 HE2 LYS 58 11.309 -13.072 -12.485 415 HE3 LYS 58 HE3 LYS 58 10.562 -12.783 -10.915 416 HZ1 LYS 58 HZ1 LYS 58 8.955 -14.264 -11.322 417 HZ2 LYS 58 HZ2 LYS 58 8.755 -13.782 -12.932 418 HZ3 LYS 58 HZ3 LYS 58 9.992 -14.860 -12.519 419 H VAL 59 H VAL 59 8.768 -12.243 -9.789 420 HA VAL 59 HA VAL 59 10.864 -11.888 -7.793 421 HB VAL 59 HB VAL 59 9.608 -13.425 -6.213 422 HG11 VAL 59 HG11 VAL 59 8.656 -11.636 -5.059 423 HG12 VAL 59 HG12 VAL 59 9.896 -10.876 -6.056 424 HG13 VAL 59 HG13 VAL 59 8.203 -10.797 -6.543 425 HG21 VAL 59 HG21 VAL 59 7.003 -12.524 -7.085 426 HG22 VAL 59 HG22 VAL 59 7.787 -13.518 -8.312 427 HG23 VAL 59 HG23 VAL 59 7.555 -14.149 -6.682 428 H SER 60 H SER 60 12.072 -13.761 -7.377 429 HA SER 60 HA SER 60 12.588 -15.452 -9.470 430 HB2 SER 60 HB2 SER 60 12.952 -16.644 -6.779 431 HB3 SER 60 HB3 SER 60 14.110 -16.452 -8.095 432 HG SER 60 HG SER 60 14.462 -15.112 -6.177 433 H GLY 61 H GLY 61 11.124 -16.667 -10.493 434 HA2 GLY 61 HA2 GLY 61 9.945 -18.904 -9.133 435 HA3 GLY 61 HA3 GLY 61 8.757 -17.687 -9.577 436 H LYS 62 H LYS 62 11.590 -18.251 -11.525 437 HA LYS 62 HA LYS 62 11.853 -18.972 -13.666 438 HB2 LYS 62 HB2 LYS 62 9.759 -20.871 -12.645 439 HB3 LYS 62 HB3 LYS 62 10.324 -20.960 -14.308 440 HG2 LYS 62 HG2 LYS 62 12.223 -21.030 -11.988 441 HG3 LYS 62 HG3 LYS 62 11.434 -22.485 -12.600 442 HD2 LYS 62 HD2 LYS 62 12.598 -22.450 -14.574 443 HD3 LYS 62 HD3 LYS 62 12.808 -20.698 -14.544 444 HE2 LYS 62 HE2 LYS 62 14.471 -20.903 -12.789 445 HE3 LYS 62 HE3 LYS 62 14.219 -22.647 -12.724 446 HZ1 LYS 62 HZ1 LYS 62 14.804 -21.892 -15.370 447 HZ2 LYS 62 HZ2 LYS 62 15.984 -21.238 -14.349 448 HZ3 LYS 62 HZ3 LYS 62 15.687 -22.904 -14.341 449 H CYS 63 H CYS 63 11.301 -17.267 -14.925 450 HA CYS 63 HA CYS 63 8.624 -17.322 -16.098 451 HB2 CYS 63 HB2 CYS 63 9.076 -15.529 -14.151 452 HB3 CYS 63 HB3 CYS 63 9.718 -14.622 -15.517 453 H ASN 64 H ASN 64 11.246 -18.135 -17.040 454 HA ASN 64 HA ASN 64 12.210 -16.143 -18.860 455 HB2 ASN 64 HB2 ASN 64 12.757 -19.114 -18.691 456 HB3 ASN 64 HB3 ASN 64 13.610 -17.998 -19.753 457 HD21 ASN 64 HD21 ASN 64 13.616 -19.482 -16.782 458 HD22 ASN 64 HD22 ASN 64 14.781 -18.487 -15.984 Start of MODEL 18 1 H1 VAL 1 H VAL 1 1.566 0.349 0.787 2 HA VAL 1 HA VAL 1 1.391 -0.517 -1.992 3 HB VAL 1 HB VAL 1 2.815 1.551 -2.613 4 HG11 VAL 1 HG11 VAL 1 0.526 1.057 -3.421 5 HG12 VAL 1 HG12 VAL 1 -0.119 1.938 -2.035 6 HG13 VAL 1 HG13 VAL 1 0.844 2.783 -3.247 7 HG21 VAL 1 HG21 VAL 1 2.599 3.496 -1.321 8 HG22 VAL 1 HG22 VAL 1 1.300 2.809 -0.346 9 HG23 VAL 1 HG23 VAL 1 2.952 2.225 -0.150 10 H ARG 2 H ARG 2 3.699 -0.333 -3.003 11 HA ARG 2 HA ARG 2 5.920 -0.504 -1.220 12 HB2 ARG 2 HB2 ARG 2 6.450 -2.899 -1.711 13 HB3 ARG 2 HB3 ARG 2 5.038 -2.670 -0.687 14 HG2 ARG 2 HG2 ARG 2 3.612 -3.500 -2.230 15 HG3 ARG 2 HG3 ARG 2 4.539 -2.864 -3.590 16 HD2 ARG 2 HD2 ARG 2 6.023 -4.657 -3.575 17 HD3 ARG 2 HD3 ARG 2 5.616 -5.102 -1.918 18 HE ARG 2 HE ARG 2 4.323 -5.994 -4.292 19 HH11 ARG 2 HH11 ARG 2 3.779 -5.206 -0.945 20 HH12 ARG 2 HH12 ARG 2 2.406 -6.251 -0.787 21 HH21 ARG 2 HH21 ARG 2 2.517 -7.374 -4.096 22 HH22 ARG 2 HH22 ARG 2 1.690 -7.485 -2.579 23 H ASP 3 H ASP 3 7.906 -0.585 -2.303 24 HA ASP 3 HA ASP 3 7.724 0.078 -5.138 25 HB2 ASP 3 HB2 ASP 3 10.304 0.132 -3.631 26 HB3 ASP 3 HB3 ASP 3 9.731 1.200 -4.909 27 H GLY 4 H GLY 4 8.661 -1.081 -6.764 28 HA2 GLY 4 HA2 GLY 4 10.654 -2.948 -6.681 29 HA3 GLY 4 HA3 GLY 4 9.214 -3.848 -6.231 30 H TYR 5 H TYR 5 10.242 -4.856 -8.346 31 HA TYR 5 HA TYR 5 9.551 -3.555 -10.799 32 HB2 TYR 5 HB2 TYR 5 10.147 -6.489 -10.407 33 HB3 TYR 5 HB3 TYR 5 10.318 -5.548 -11.884 34 HD1 TYR 5 HD1 TYR 5 11.873 -3.318 -11.398 35 HD2 TYR 5 HD2 TYR 5 12.143 -7.085 -9.438 36 HE1 TYR 5 HE1 TYR 5 14.220 -2.848 -10.832 37 HE2 TYR 5 HE2 TYR 5 14.490 -6.625 -8.865 38 HH TYR 5 HH TYR 5 16.127 -5.113 -8.878 39 H ILE 6 H ILE 6 7.732 -3.689 -11.972 40 HA ILE 6 HA ILE 6 5.430 -4.976 -10.789 41 HB ILE 6 HB ILE 6 4.109 -3.727 -12.208 42 HG12 ILE 6 HG12 ILE 6 6.442 -3.671 -14.132 43 HG13 ILE 6 HG13 ILE 6 4.934 -4.560 -14.321 44 HG21 ILE 6 HG21 ILE 6 6.334 -1.821 -12.518 45 HG22 ILE 6 HG22 ILE 6 4.753 -1.612 -11.765 46 HG23 ILE 6 HG23 ILE 6 6.051 -2.413 -10.880 47 HD11 ILE 6 HD11 ILE 6 4.017 -2.832 -15.341 48 HD12 ILE 6 HD12 ILE 6 4.349 -1.794 -13.955 49 HD13 ILE 6 HD13 ILE 6 5.555 -1.977 -15.228 50 H ALA 7 H ALA 7 4.188 -6.603 -11.707 51 HA ALA 7 HA ALA 7 5.497 -8.109 -13.878 52 HB1 ALA 7 HB1 ALA 7 4.431 -10.135 -12.850 53 HB2 ALA 7 HB2 ALA 7 5.693 -9.380 -11.877 54 HB3 ALA 7 HB3 ALA 7 3.996 -9.123 -11.473 55 H ASP 8 H ASP 8 4.043 -9.415 -15.218 56 HA ASP 8 HA ASP 8 1.575 -7.947 -15.762 57 HB2 ASP 8 HB2 ASP 8 1.591 -9.131 -17.923 58 HB3 ASP 8 HB3 ASP 8 3.103 -8.273 -17.641 59 H ASP 9 H ASP 9 0.054 -9.798 -17.047 60 HA ASP 9 HA ASP 9 -1.283 -11.091 -14.959 61 HB2 ASP 9 HB2 ASP 9 -1.389 -11.405 -17.952 62 HB3 ASP 9 HB3 ASP 9 -2.392 -12.389 -16.888 63 H LYS 10 H LYS 10 1.463 -12.042 -16.781 64 HA LYS 10 HA LYS 10 1.195 -14.835 -15.924 65 HB2 LYS 10 HB2 LYS 10 3.179 -13.590 -17.837 66 HB3 LYS 10 HB3 LYS 10 3.021 -15.306 -17.489 67 HG2 LYS 10 HG2 LYS 10 0.480 -14.614 -18.251 68 HG3 LYS 10 HG3 LYS 10 1.491 -13.614 -19.295 69 HD2 LYS 10 HD2 LYS 10 2.802 -15.737 -19.794 70 HD3 LYS 10 HD3 LYS 10 1.475 -16.610 -19.025 71 HE2 LYS 10 HE2 LYS 10 0.912 -16.649 -21.282 72 HE3 LYS 10 HE3 LYS 10 -0.038 -15.307 -20.648 73 HZ1 LYS 10 HZ1 LYS 10 2.407 -14.258 -21.425 74 HZ2 LYS 10 HZ2 LYS 10 1.918 -15.281 -22.681 75 HZ3 LYS 10 HZ3 LYS 10 0.905 -14.027 -22.169 76 H ASN 11 H ASN 11 1.936 -12.497 -14.200 77 HA ASN 11 HA ASN 11 3.432 -11.943 -12.573 78 HB2 ASN 11 HB2 ASN 11 2.734 -14.278 -11.914 79 HB3 ASN 11 HB3 ASN 11 4.207 -14.862 -12.684 80 HD21 ASN 11 HD21 ASN 11 5.612 -15.388 -11.182 81 HD22 ASN 11 HD22 ASN 11 5.985 -14.468 -9.768 82 H CYS 12 H CYS 12 4.343 -11.921 -15.414 83 HA CYS 12 HA CYS 12 7.202 -12.459 -15.138 84 HB2 CYS 12 HB2 CYS 12 5.558 -11.614 -17.533 85 HB3 CYS 12 HB3 CYS 12 7.289 -11.932 -17.567 86 H ALA 13 H ALA 13 8.748 -10.906 -15.080 87 HA ALA 13 HA ALA 13 8.078 -8.321 -14.197 88 HB1 ALA 13 HB1 ALA 13 10.504 -9.825 -14.723 89 HB2 ALA 13 HB2 ALA 13 10.672 -8.115 -15.121 90 HB3 ALA 13 HB3 ALA 13 10.176 -8.599 -13.499 91 H TYR 14 H TYR 14 7.864 -6.396 -15.214 92 HA TYR 14 HA TYR 14 7.240 -6.354 -17.968 93 HB2 TYR 14 HB2 TYR 14 7.378 -4.388 -15.768 94 HB3 TYR 14 HB3 TYR 14 7.597 -3.725 -17.384 95 HD1 TYR 14 HD1 TYR 14 5.407 -6.488 -16.155 96 HD2 TYR 14 HD2 TYR 14 5.630 -2.632 -17.940 97 HE1 TYR 14 HE1 TYR 14 2.970 -6.507 -16.487 98 HE2 TYR 14 HE2 TYR 14 3.193 -2.640 -18.275 99 HH TYR 14 HH TYR 14 1.356 -4.096 -18.388 100 H PHE 15 H PHE 15 8.848 -6.884 -19.350 101 HA PHE 15 HA PHE 15 11.546 -6.045 -19.053 102 HB2 PHE 15 HB2 PHE 15 10.164 -7.028 -21.557 103 HB3 PHE 15 HB3 PHE 15 11.898 -7.005 -21.256 104 HD1 PHE 15 HD1 PHE 15 9.979 -9.360 -21.974 105 HD2 PHE 15 HD2 PHE 15 11.688 -7.948 -18.340 106 HE1 PHE 15 HE1 PHE 15 9.840 -11.628 -21.031 107 HE2 PHE 15 HE2 PHE 15 11.552 -10.214 -17.392 108 HZ PHE 15 HZ PHE 15 10.628 -12.058 -18.738 109 H CYS 16 H CYS 16 11.077 -3.736 -18.700 110 HA CYS 16 HA CYS 16 10.162 -2.143 -20.903 111 HB2 CYS 16 HB2 CYS 16 9.702 -1.015 -18.970 112 HB3 CYS 16 HB3 CYS 16 11.120 -1.646 -18.139 113 H GLY 17 H GLY 17 11.393 -0.635 -22.111 114 HA2 GLY 17 HA2 GLY 17 14.287 -1.228 -22.186 115 HA3 GLY 17 HA3 GLY 17 13.330 -1.063 -23.651 116 H ARG 18 H ARG 18 11.877 1.143 -21.945 117 HA ARG 18 HA ARG 18 13.895 3.243 -22.365 118 HB2 ARG 18 HB2 ARG 18 12.247 3.159 -24.242 119 HB3 ARG 18 HB3 ARG 18 10.969 3.484 -23.079 120 HG2 ARG 18 HG2 ARG 18 11.675 5.490 -24.307 121 HG3 ARG 18 HG3 ARG 18 11.924 5.638 -22.566 122 HD2 ARG 18 HD2 ARG 18 13.828 6.507 -23.853 123 HD3 ARG 18 HD3 ARG 18 14.281 5.142 -22.833 124 HE ARG 18 HE ARG 18 13.596 4.319 -25.475 125 HH11 ARG 18 HH11 ARG 18 16.136 5.712 -23.545 126 HH12 ARG 18 HH12 ARG 18 17.408 5.151 -24.578 127 HH21 ARG 18 HH21 ARG 18 15.261 3.574 -26.844 128 HH22 ARG 18 HH22 ARG 18 16.909 3.936 -26.456 129 H ASN 19 H ASN 19 14.130 4.609 -20.710 130 HA ASN 19 HA ASN 19 13.025 4.201 -18.218 131 HB2 ASN 19 HB2 ASN 19 14.332 6.584 -19.493 132 HB3 ASN 19 HB3 ASN 19 13.684 6.700 -17.860 133 HD21 ASN 19 HD21 ASN 19 16.105 7.183 -17.671 134 HD22 ASN 19 HD22 ASN 19 17.106 5.836 -17.263 135 H ALA 20 H ALA 20 12.035 6.598 -20.653 136 HA ALA 20 HA ALA 20 9.961 7.777 -19.205 137 HB1 ALA 20 HB1 ALA 20 9.656 8.990 -21.056 138 HB2 ALA 20 HB2 ALA 20 11.051 8.123 -21.699 139 HB3 ALA 20 HB3 ALA 20 9.419 7.561 -22.062 140 H TYR 21 H TYR 21 9.914 4.988 -21.398 141 HA TYR 21 HA TYR 21 7.193 4.504 -21.483 142 HB2 TYR 21 HB2 TYR 21 8.530 3.204 -22.914 143 HB3 TYR 21 HB3 TYR 21 9.572 2.666 -21.601 144 HD1 TYR 21 HD1 TYR 21 6.358 2.162 -23.291 145 HD2 TYR 21 HD2 TYR 21 8.917 0.829 -20.164 146 HE1 TYR 21 HE1 TYR 21 5.016 0.112 -23.075 147 HE2 TYR 21 HE2 TYR 21 7.583 -1.226 -19.941 148 HH TYR 21 HH TYR 21 5.681 -2.427 -22.092 149 H CYS 22 H CYS 22 9.561 3.325 -19.110 150 HA CYS 22 HA CYS 22 7.799 1.795 -17.565 151 HB2 CYS 22 HB2 CYS 22 10.489 2.955 -17.216 152 HB3 CYS 22 HB3 CYS 22 9.613 2.640 -15.722 153 H ASP 23 H ASP 23 8.846 5.169 -17.159 154 HA ASP 23 HA ASP 23 7.478 5.796 -14.845 155 HB2 ASP 23 HB2 ASP 23 9.095 7.272 -16.087 156 HB3 ASP 23 HB3 ASP 23 7.790 7.658 -17.205 157 H GLU 24 H GLU 24 6.278 5.606 -18.146 158 HA GLU 24 HA GLU 24 3.736 6.756 -17.626 159 HB2 GLU 24 HB2 GLU 24 4.800 5.011 -19.836 160 HB3 GLU 24 HB3 GLU 24 3.119 5.523 -19.791 161 HG2 GLU 24 HG2 GLU 24 3.786 7.844 -19.878 162 HG3 GLU 24 HG3 GLU 24 5.486 7.382 -19.816 163 H GLU 25 H GLU 25 4.600 3.355 -18.285 164 HA GLU 25 HA GLU 25 2.158 2.232 -17.603 165 HB2 GLU 25 HB2 GLU 25 4.801 0.884 -17.078 166 HB3 GLU 25 HB3 GLU 25 3.270 0.136 -17.508 167 HG2 GLU 25 HG2 GLU 25 5.217 1.587 -19.234 168 HG3 GLU 25 HG3 GLU 25 4.447 0.021 -19.480 169 H CYS 26 H CYS 26 4.802 3.268 -15.564 170 HA CYS 26 HA CYS 26 4.038 1.951 -13.193 171 HB2 CYS 26 HB2 CYS 26 5.733 4.337 -13.826 172 HB3 CYS 26 HB3 CYS 26 5.308 4.003 -12.150 173 H LYS 27 H LYS 27 3.765 5.452 -13.794 174 HA LYS 27 HA LYS 27 1.955 5.994 -11.767 175 HB2 LYS 27 HB2 LYS 27 3.145 7.764 -12.917 176 HB3 LYS 27 HB3 LYS 27 2.321 7.387 -14.425 177 HG2 LYS 27 HG2 LYS 27 0.184 8.039 -13.393 178 HG3 LYS 27 HG3 LYS 27 1.054 8.481 -11.921 179 HD2 LYS 27 HD2 LYS 27 0.853 10.515 -13.014 180 HD3 LYS 27 HD3 LYS 27 2.462 9.979 -13.504 181 HE2 LYS 27 HE2 LYS 27 1.814 9.556 -15.656 182 HE3 LYS 27 HE3 LYS 27 0.151 9.192 -15.199 183 HZ1 LYS 27 HZ1 LYS 27 0.693 11.378 -16.444 184 HZ2 LYS 27 HZ2 LYS 27 -0.420 11.402 -15.170 185 HZ3 LYS 27 HZ3 LYS 27 1.165 11.938 -14.918 186 H LYS 28 H LYS 28 1.378 4.882 -15.051 187 HA LYS 28 HA LYS 28 -1.404 5.285 -15.129 188 HB2 LYS 28 HB2 LYS 28 0.436 3.390 -16.573 189 HB3 LYS 28 HB3 LYS 28 -1.300 3.381 -16.856 190 HG2 LYS 28 HG2 LYS 28 -0.267 6.060 -17.018 191 HG3 LYS 28 HG3 LYS 28 0.616 4.980 -18.100 192 HD2 LYS 28 HD2 LYS 28 -2.362 4.837 -18.031 193 HD3 LYS 28 HD3 LYS 28 -1.591 6.175 -18.886 194 HE2 LYS 28 HE2 LYS 28 -0.808 3.317 -19.372 195 HE3 LYS 28 HE3 LYS 28 -2.153 4.070 -20.228 196 HZ1 LYS 28 HZ1 LYS 28 -0.774 5.400 -21.416 197 HZ2 LYS 28 HZ2 LYS 28 0.397 5.496 -20.200 198 HZ3 LYS 28 HZ3 LYS 28 0.294 4.112 -21.167 199 H LYS 29 H LYS 29 0.550 2.866 -13.603 200 HA LYS 29 HA LYS 29 -1.754 1.139 -13.108 201 HB2 LYS 29 HB2 LYS 29 1.080 0.745 -13.308 202 HB3 LYS 29 HB3 LYS 29 0.532 0.191 -11.731 203 HG2 LYS 29 HG2 LYS 29 -0.798 -1.461 -12.622 204 HG3 LYS 29 HG3 LYS 29 -0.957 -0.642 -14.177 205 HD2 LYS 29 HD2 LYS 29 1.732 -1.589 -13.294 206 HD3 LYS 29 HD3 LYS 29 0.572 -2.757 -13.932 207 HE2 LYS 29 HE2 LYS 29 0.997 -0.249 -15.463 208 HE3 LYS 29 HE3 LYS 29 2.284 -1.454 -15.493 209 HZ1 LYS 29 HZ1 LYS 29 0.850 -1.887 -17.312 210 HZ2 LYS 29 HZ2 LYS 29 0.552 -3.095 -16.165 211 HZ3 LYS 29 HZ3 LYS 29 -0.535 -1.811 -16.343 212 H GLY 30 H GLY 30 -1.350 3.865 -11.900 213 HA2 GLY 30 HA2 GLY 30 -2.211 4.669 -9.875 214 HA3 GLY 30 HA3 GLY 30 -2.010 3.068 -9.179 215 H ALA 31 H ALA 31 0.800 2.948 -10.170 216 HA ALA 31 HA ALA 31 2.171 3.629 -7.903 217 HB1 ALA 31 HB1 ALA 31 4.152 3.268 -9.081 218 HB2 ALA 31 HB2 ALA 31 2.958 2.315 -9.963 219 HB3 ALA 31 HB3 ALA 31 3.477 3.880 -10.591 220 H GLU 32 H GLU 32 3.837 5.318 -7.570 221 HA GLU 32 HA GLU 32 2.708 7.927 -8.198 222 HB2 GLU 32 HB2 GLU 32 3.515 7.143 -5.871 223 HB3 GLU 32 HB3 GLU 32 5.133 7.446 -6.488 224 HG2 GLU 32 HG2 GLU 32 4.458 9.372 -5.289 225 HG3 GLU 32 HG3 GLU 32 4.415 9.780 -7.003 226 H SER 33 H SER 33 5.545 5.996 -8.875 227 HA SER 33 HA SER 33 6.213 7.274 -11.235 228 HB2 SER 33 HB2 SER 33 7.041 8.776 -8.926 229 HB3 SER 33 HB3 SER 33 8.463 8.210 -9.802 230 HG SER 33 HG SER 33 8.007 9.530 -11.377 231 H GLY 34 H GLY 34 8.226 6.521 -12.158 232 HA2 GLY 34 HA2 GLY 34 9.905 4.707 -10.712 233 HA3 GLY 34 HA3 GLY 34 8.772 3.861 -11.755 234 H TYR 35 H TYR 35 10.756 3.080 -12.792 235 HA TYR 35 HA TYR 35 11.302 4.543 -15.166 236 HB2 TYR 35 HB2 TYR 35 13.842 4.618 -14.683 237 HB3 TYR 35 HB3 TYR 35 12.824 5.878 -13.996 238 HD1 TYR 35 HD1 TYR 35 13.456 2.378 -12.865 239 HD2 TYR 35 HD2 TYR 35 13.820 6.530 -12.005 240 HE1 TYR 35 HE1 TYR 35 14.306 1.834 -10.622 241 HE2 TYR 35 HE2 TYR 35 14.671 5.996 -9.761 242 HH TYR 35 HH TYR 35 15.828 4.068 -8.640 243 H CYS 36 H CYS 36 13.536 3.430 -16.115 244 HA CYS 36 HA CYS 36 12.839 0.596 -16.206 245 HB2 CYS 36 HB2 CYS 36 13.322 2.264 -18.231 246 HB3 CYS 36 HB3 CYS 36 14.977 1.737 -17.938 247 H GLN 37 H GLN 37 13.738 0.180 -14.073 248 HA GLN 37 HA GLN 37 16.525 0.520 -13.572 249 HB2 GLN 37 HB2 GLN 37 14.529 0.218 -11.905 250 HB3 GLN 37 HB3 GLN 37 14.850 -1.497 -12.125 251 HG2 GLN 37 HG2 GLN 37 17.343 -0.356 -11.645 252 HG3 GLN 37 HG3 GLN 37 16.244 0.445 -10.523 253 HE21 GLN 37 HE21 GLN 37 18.039 -2.337 -11.182 254 HE22 GLN 37 HE22 GLN 37 17.458 -3.320 -9.885 255 H TRP 38 H TRP 38 17.658 -0.439 -15.256 256 HA TRP 38 HA TRP 38 17.214 -3.171 -16.009 257 HB2 TRP 38 HB2 TRP 38 19.279 -2.863 -17.370 258 HB3 TRP 38 HB3 TRP 38 18.058 -1.628 -17.666 259 HD1 TRP 38 HD1 TRP 38 21.054 -1.907 -15.191 260 HE1 TRP 38 HE1 TRP 38 22.321 0.332 -15.244 261 HE3 TRP 38 HE3 TRP 38 18.176 0.574 -18.611 262 HZ2 TRP 38 HZ2 TRP 38 22.126 2.822 -16.560 263 HZ3 TRP 38 HZ3 TRP 38 18.784 2.881 -19.212 264 HH2 TRP 38 HH2 TRP 38 20.718 3.980 -18.206 265 H ALA 39 H ALA 39 19.363 -4.567 -16.129 266 HA ALA 39 HA ALA 39 20.896 -5.825 -15.009 267 HB1 ALA 39 HB1 ALA 39 22.372 -4.773 -13.455 268 HB2 ALA 39 HB2 ALA 39 22.009 -3.605 -14.727 269 HB3 ALA 39 HB3 ALA 39 21.219 -3.472 -13.156 270 H GLY 40 H GLY 40 18.098 -5.953 -14.315 271 HA2 GLY 40 HA2 GLY 40 18.016 -6.297 -11.428 272 HA3 GLY 40 HA3 GLY 40 16.676 -6.514 -12.544 273 H GLN 41 H GLN 41 17.170 -8.299 -10.478 274 HA GLN 41 HA GLN 41 18.749 -10.495 -10.987 275 HB2 GLN 41 HB2 GLN 41 17.576 -10.300 -8.901 276 HB3 GLN 41 HB3 GLN 41 16.017 -10.349 -9.712 277 HG2 GLN 41 HG2 GLN 41 16.292 -12.642 -10.276 278 HG3 GLN 41 HG3 GLN 41 17.974 -12.629 -9.749 279 HE21 GLN 41 HE21 GLN 41 16.629 -14.564 -8.693 280 HE22 GLN 41 HE22 GLN 41 16.154 -14.249 -7.062 281 H TYR 42 H TYR 42 15.555 -9.741 -12.282 282 HA TYR 42 HA TYR 42 15.672 -12.157 -13.945 283 HB2 TYR 42 HB2 TYR 42 13.240 -10.499 -14.053 284 HB3 TYR 42 HB3 TYR 42 13.411 -12.242 -13.880 285 HD1 TYR 42 HD1 TYR 42 13.509 -13.272 -11.699 286 HD2 TYR 42 HD2 TYR 42 13.250 -9.043 -12.086 287 HE1 TYR 42 HE1 TYR 42 12.950 -13.093 -9.310 288 HE2 TYR 42 HE2 TYR 42 12.691 -8.852 -9.699 289 HH TYR 42 HH TYR 42 13.193 -10.424 -7.560 290 H GLY 43 H GLY 43 17.218 -9.664 -14.402 291 HA2 GLY 43 HA2 GLY 43 17.979 -8.875 -16.495 292 HA3 GLY 43 HA3 GLY 43 16.427 -9.308 -17.196 293 H ASN 44 H ASN 44 16.120 -7.314 -18.177 294 HA ASN 44 HA ASN 44 16.177 -4.897 -16.587 295 HB2 ASN 44 HB2 ASN 44 15.800 -5.555 -19.470 296 HB3 ASN 44 HB3 ASN 44 15.135 -4.033 -18.883 297 HD21 ASN 44 HD21 ASN 44 18.072 -5.761 -17.942 298 HD22 ASN 44 HD22 ASN 44 19.165 -4.491 -18.366 299 H ALA 45 H ALA 45 14.542 -5.484 -15.046 300 HA ALA 45 HA ALA 45 11.805 -5.658 -16.062 301 HB1 ALA 45 HB1 ALA 45 12.301 -7.297 -14.414 302 HB2 ALA 45 HB2 ALA 45 12.977 -6.088 -13.322 303 HB3 ALA 45 HB3 ALA 45 11.245 -6.107 -13.655 304 H CYS 46 H CYS 46 10.272 -4.117 -15.734 305 HA CYS 46 HA CYS 46 11.102 -1.452 -15.292 306 HB2 CYS 46 HB2 CYS 46 9.111 -2.253 -16.667 307 HB3 CYS 46 HB3 CYS 46 8.256 -2.442 -15.140 308 H TRP 47 H TRP 47 11.203 -0.246 -13.501 309 HA TRP 47 HA TRP 47 10.272 -1.461 -10.989 310 HB2 TRP 47 HB2 TRP 47 12.611 -1.123 -10.857 311 HB3 TRP 47 HB3 TRP 47 12.502 0.473 -11.595 312 HD1 TRP 47 HD1 TRP 47 11.405 2.446 -10.007 313 HE1 TRP 47 HE1 TRP 47 11.528 2.744 -7.453 314 HE3 TRP 47 HE3 TRP 47 12.727 -2.316 -8.696 315 HZ2 TRP 47 HZ2 TRP 47 12.109 1.170 -5.184 316 HZ3 TRP 47 HZ3 TRP 47 13.048 -2.837 -6.313 317 HH2 TRP 47 HH2 TRP 47 12.745 -1.129 -4.595 318 H CYS 48 H CYS 48 8.934 -0.367 -9.625 319 HA CYS 48 HA CYS 48 8.131 2.356 -10.384 320 HB2 CYS 48 HB2 CYS 48 6.288 0.044 -9.752 321 HB3 CYS 48 HB3 CYS 48 5.765 1.724 -9.832 322 H TYR 49 H TYR 49 7.001 3.515 -8.639 323 HA TYR 49 HA TYR 49 8.013 2.667 -6.007 324 HB2 TYR 49 HB2 TYR 49 7.676 5.359 -7.278 325 HB3 TYR 49 HB3 TYR 49 7.629 5.216 -5.525 326 HD1 TYR 49 HD1 TYR 49 9.723 5.486 -8.397 327 HD2 TYR 49 HD2 TYR 49 9.630 4.082 -4.382 328 HE1 TYR 49 HE1 TYR 49 12.182 5.519 -8.336 329 HE2 TYR 49 HE2 TYR 49 12.089 4.112 -4.309 330 HH TYR 49 HH TYR 49 13.965 4.317 -5.531 331 H LYS 50 H LYS 50 6.680 2.717 -4.227 332 HA LYS 50 HA LYS 50 4.700 2.327 -3.151 333 HB2 LYS 50 HB2 LYS 50 3.868 4.833 -4.622 334 HB3 LYS 50 HB3 LYS 50 3.190 4.223 -3.118 335 HG2 LYS 50 HG2 LYS 50 6.065 4.625 -2.973 336 HG3 LYS 50 HG3 LYS 50 5.178 6.102 -3.357 337 HD2 LYS 50 HD2 LYS 50 5.198 6.109 -1.037 338 HD3 LYS 50 HD3 LYS 50 3.630 5.388 -1.406 339 HE2 LYS 50 HE2 LYS 50 4.740 3.139 -1.192 340 HE3 LYS 50 HE3 LYS 50 6.158 3.981 -0.568 341 HZ1 LYS 50 HZ1 LYS 50 3.477 4.305 0.642 342 HZ2 LYS 50 HZ2 LYS 50 4.539 3.079 1.125 343 HZ3 LYS 50 HZ3 LYS 50 4.980 4.703 1.308 344 H LEU 51 H LEU 51 4.685 0.556 -5.028 345 HA LEU 51 HA LEU 51 2.580 0.825 -6.949 346 HB2 LEU 51 HB2 LEU 51 4.416 -1.344 -6.072 347 HB3 LEU 51 HB3 LEU 51 2.962 -1.790 -6.962 348 HG LEU 51 HG LEU 51 5.151 0.042 -7.941 349 HD11 LEU 51 HD11 LEU 51 5.108 -2.721 -7.824 350 HD12 LEU 51 HD12 LEU 51 4.597 -2.354 -9.472 351 HD13 LEU 51 HD13 LEU 51 6.130 -1.729 -8.864 352 HD21 LEU 51 HD21 LEU 51 3.939 -0.070 -10.087 353 HD22 LEU 51 HD22 LEU 51 2.626 -0.925 -9.277 354 HD23 LEU 51 HD23 LEU 51 3.010 0.735 -8.822 355 HA PRO 52 HA PRO 52 -0.868 -0.303 -4.458 356 HB2 PRO 52 HB2 PRO 52 -2.510 -1.267 -6.394 357 HB3 PRO 52 HB3 PRO 52 -2.177 0.457 -6.187 358 HG2 PRO 52 HG2 PRO 52 -0.977 -1.486 -8.123 359 HG3 PRO 52 HG3 PRO 52 -1.520 0.179 -8.401 360 HD2 PRO 52 HD2 PRO 52 1.087 -0.465 -8.056 361 HD3 PRO 52 HD3 PRO 52 0.409 1.087 -7.525 362 H ASP 53 H ASP 53 -1.406 -2.032 -3.266 363 HA ASP 53 HA ASP 53 -0.109 -4.447 -3.359 364 HB2 ASP 53 HB2 ASP 53 -1.783 -3.380 -1.601 365 HB3 ASP 53 HB3 ASP 53 -2.937 -4.441 -2.404 366 H LYS 54 H LYS 54 -2.838 -3.407 -5.227 367 HA LYS 54 HA LYS 54 -3.804 -5.937 -6.031 368 HB2 LYS 54 HB2 LYS 54 -4.001 -3.178 -7.218 369 HB3 LYS 54 HB3 LYS 54 -4.702 -4.576 -8.024 370 HG2 LYS 54 HG2 LYS 54 -6.103 -5.013 -6.085 371 HG3 LYS 54 HG3 LYS 54 -5.380 -3.640 -5.243 372 HD2 LYS 54 HD2 LYS 54 -6.598 -3.179 -7.920 373 HD3 LYS 54 HD3 LYS 54 -7.672 -3.415 -6.539 374 HE2 LYS 54 HE2 LYS 54 -6.162 -1.643 -5.391 375 HE3 LYS 54 HE3 LYS 54 -5.670 -1.245 -7.036 376 HZ1 LYS 54 HZ1 LYS 54 -8.209 -1.147 -7.445 377 HZ2 LYS 54 HZ2 LYS 54 -8.307 -0.949 -5.768 378 HZ3 LYS 54 HZ3 LYS 54 -7.437 0.162 -6.701 379 H VAL 55 H VAL 55 -1.344 -3.781 -7.357 380 HA VAL 55 HA VAL 55 -0.841 -5.541 -9.606 381 HB VAL 55 HB VAL 55 0.566 -3.021 -8.714 382 HG11 VAL 55 HG11 VAL 55 1.065 -3.565 -11.431 383 HG12 VAL 55 HG12 VAL 55 2.217 -3.562 -10.095 384 HG13 VAL 55 HG13 VAL 55 1.394 -5.055 -10.546 385 HG21 VAL 55 HG21 VAL 55 -0.661 -1.873 -10.334 386 HG22 VAL 55 HG22 VAL 55 -1.142 -3.357 -11.157 387 HG23 VAL 55 HG23 VAL 55 -1.848 -2.947 -9.594 388 HA PRO 56 HA PRO 56 2.003 -7.899 -7.047 389 HB2 PRO 56 HB2 PRO 56 2.421 -9.840 -8.899 390 HB3 PRO 56 HB3 PRO 56 0.982 -9.784 -7.874 391 HG2 PRO 56 HG2 PRO 56 1.325 -8.886 -10.709 392 HG3 PRO 56 HG3 PRO 56 -0.016 -9.784 -9.974 393 HD2 PRO 56 HD2 PRO 56 -0.137 -7.123 -10.455 394 HD3 PRO 56 HD3 PRO 56 -0.968 -7.884 -9.083 395 H ILE 57 H ILE 57 4.238 -8.638 -7.307 396 HA ILE 57 HA ILE 57 5.689 -7.104 -9.364 397 HB ILE 57 HB ILE 57 7.556 -6.895 -7.761 398 HG12 ILE 57 HG12 ILE 57 5.845 -7.527 -5.440 399 HG13 ILE 57 HG13 ILE 57 6.361 -8.917 -6.389 400 HG21 ILE 57 HG21 ILE 57 6.735 -4.934 -7.077 401 HG22 ILE 57 HG22 ILE 57 5.246 -5.414 -7.892 402 HG23 ILE 57 HG23 ILE 57 5.435 -5.699 -6.162 403 HD11 ILE 57 HD11 ILE 57 7.786 -7.614 -4.393 404 HD12 ILE 57 HD12 ILE 57 8.385 -8.847 -5.502 405 HD13 ILE 57 HD13 ILE 57 8.567 -7.139 -5.901 406 H LYS 58 H LYS 58 7.721 -7.998 -10.066 407 HA LYS 58 HA LYS 58 7.584 -10.779 -10.578 408 HB2 LYS 58 HB2 LYS 58 8.638 -9.288 -12.166 409 HB3 LYS 58 HB3 LYS 58 9.830 -8.795 -10.971 410 HG2 LYS 58 HG2 LYS 58 10.805 -10.345 -12.547 411 HG3 LYS 58 HG3 LYS 58 10.732 -11.072 -10.940 412 HD2 LYS 58 HD2 LYS 58 8.614 -12.204 -11.637 413 HD3 LYS 58 HD3 LYS 58 8.890 -11.596 -13.271 414 HE2 LYS 58 HE2 LYS 58 11.256 -12.722 -12.893 415 HE3 LYS 58 HE3 LYS 58 10.340 -13.698 -11.746 416 HZ1 LYS 58 HZ1 LYS 58 9.153 -13.353 -14.379 417 HZ2 LYS 58 HZ2 LYS 58 10.553 -14.302 -14.315 418 HZ3 LYS 58 HZ3 LYS 58 9.203 -14.720 -13.384 419 H VAL 59 H VAL 59 8.562 -12.491 -9.635 420 HA VAL 59 HA VAL 59 10.613 -12.062 -7.608 421 HB VAL 59 HB VAL 59 9.401 -13.602 -6.021 422 HG11 VAL 59 HG11 VAL 59 8.609 -11.817 -4.884 423 HG12 VAL 59 HG12 VAL 59 9.402 -10.918 -6.178 424 HG13 VAL 59 HG13 VAL 59 7.667 -11.226 -6.253 425 HG21 VAL 59 HG21 VAL 59 7.584 -13.748 -8.179 426 HG22 VAL 59 HG22 VAL 59 7.472 -14.534 -6.604 427 HG23 VAL 59 HG23 VAL 59 6.751 -12.943 -6.849 428 H SER 60 H SER 60 11.635 -14.086 -6.915 429 HA SER 60 HA SER 60 12.459 -15.677 -9.001 430 HB2 SER 60 HB2 SER 60 12.326 -16.467 -6.080 431 HB3 SER 60 HB3 SER 60 13.340 -17.225 -7.308 432 HG SER 60 HG SER 60 14.705 -15.782 -6.534 433 H GLY 61 H GLY 61 11.145 -16.796 -10.301 434 HA2 GLY 61 HA2 GLY 61 9.691 -19.041 -9.231 435 HA3 GLY 61 HA3 GLY 61 8.645 -17.777 -9.862 436 H LYS 62 H LYS 62 7.898 -18.383 -11.778 437 HA LYS 62 HA LYS 62 9.667 -18.832 -13.968 438 HB2 LYS 62 HB2 LYS 62 8.464 -21.150 -12.584 439 HB3 LYS 62 HB3 LYS 62 8.309 -21.151 -14.336 440 HG2 LYS 62 HG2 LYS 62 10.869 -20.618 -14.261 441 HG3 LYS 62 HG3 LYS 62 10.755 -21.325 -12.648 442 HD2 LYS 62 HD2 LYS 62 9.876 -22.649 -15.214 443 HD3 LYS 62 HD3 LYS 62 11.368 -22.996 -14.338 444 HE2 LYS 62 HE2 LYS 62 9.911 -23.564 -12.350 445 HE3 LYS 62 HE3 LYS 62 8.534 -23.489 -13.449 446 HZ1 LYS 62 HZ1 LYS 62 9.846 -25.721 -12.975 447 HZ2 LYS 62 HZ2 LYS 62 9.130 -25.400 -14.474 448 HZ3 LYS 62 HZ3 LYS 62 10.790 -25.152 -14.258 449 H CYS 63 H CYS 63 8.703 -18.233 -15.818 450 HA CYS 63 HA CYS 63 5.904 -18.571 -16.301 451 HB2 CYS 63 HB2 CYS 63 5.170 -16.328 -16.257 452 HB3 CYS 63 HB3 CYS 63 6.059 -16.542 -14.753 453 H ASN 64 H ASN 64 5.263 -17.484 -18.403 454 HA ASN 64 HA ASN 64 7.248 -18.099 -20.370 455 HB2 ASN 64 HB2 ASN 64 4.517 -16.836 -20.704 456 HB3 ASN 64 HB3 ASN 64 5.510 -17.495 -22.001 457 HD21 ASN 64 HD21 ASN 64 3.668 -18.278 -19.130 458 HD22 ASN 64 HD22 ASN 64 3.420 -19.945 -19.513 Start of MODEL 19 1 H1 VAL 1 H VAL 1 1.580 0.653 0.736 2 HA VAL 1 HA VAL 1 1.544 -0.509 -1.975 3 HB VAL 1 HB VAL 1 2.905 1.600 -2.569 4 HG11 VAL 1 HG11 VAL 1 0.910 2.807 -3.134 5 HG12 VAL 1 HG12 VAL 1 0.583 1.082 -3.301 6 HG13 VAL 1 HG13 VAL 1 -0.010 1.960 -1.890 7 HG21 VAL 1 HG21 VAL 1 3.074 2.186 -0.067 8 HG22 VAL 1 HG22 VAL 1 2.746 3.488 -1.211 9 HG23 VAL 1 HG23 VAL 1 1.433 2.805 -0.252 10 H ARG 2 H ARG 2 3.797 -0.356 -3.020 11 HA ARG 2 HA ARG 2 6.066 -0.486 -1.278 12 HB2 ARG 2 HB2 ARG 2 6.624 -2.856 -1.765 13 HB3 ARG 2 HB3 ARG 2 5.181 -2.675 -0.776 14 HG2 ARG 2 HG2 ARG 2 4.035 -3.891 -2.221 15 HG3 ARG 2 HG3 ARG 2 4.373 -2.714 -3.492 16 HD2 ARG 2 HD2 ARG 2 5.091 -5.026 -4.050 17 HD3 ARG 2 HD3 ARG 2 6.402 -3.848 -4.083 18 HE ARG 2 HE ARG 2 7.426 -5.033 -2.429 19 HH11 ARG 2 HH11 ARG 2 4.036 -5.827 -2.424 20 HH12 ARG 2 HH12 ARG 2 4.192 -7.051 -1.208 21 HH21 ARG 2 HH21 ARG 2 7.643 -6.642 -0.827 22 HH22 ARG 2 HH22 ARG 2 6.243 -7.513 -0.300 23 H ASP 3 H ASP 3 8.017 -0.455 -2.392 24 HA ASP 3 HA ASP 3 7.771 0.192 -5.226 25 HB2 ASP 3 HB2 ASP 3 10.381 0.352 -3.793 26 HB3 ASP 3 HB3 ASP 3 9.703 1.423 -5.016 27 H GLY 4 H GLY 4 8.728 -0.933 -6.863 28 HA2 GLY 4 HA2 GLY 4 10.799 -2.719 -6.798 29 HA3 GLY 4 HA3 GLY 4 9.397 -3.674 -6.338 30 H TYR 5 H TYR 5 10.280 -4.740 -8.409 31 HA TYR 5 HA TYR 5 9.575 -3.433 -10.879 32 HB2 TYR 5 HB2 TYR 5 10.364 -6.312 -10.389 33 HB3 TYR 5 HB3 TYR 5 10.309 -5.499 -11.949 34 HD1 TYR 5 HD1 TYR 5 12.566 -6.802 -9.891 35 HD2 TYR 5 HD2 TYR 5 11.629 -2.980 -11.508 36 HE1 TYR 5 HE1 TYR 5 14.911 -6.114 -9.607 37 HE2 TYR 5 HE2 TYR 5 13.971 -2.282 -11.230 38 HH TYR 5 HH TYR 5 15.932 -2.816 -10.126 39 H ILE 6 H ILE 6 7.715 -3.576 -11.965 40 HA ILE 6 HA ILE 6 5.488 -4.951 -10.760 41 HB ILE 6 HB ILE 6 4.104 -3.769 -12.184 42 HG12 ILE 6 HG12 ILE 6 6.430 -3.627 -14.110 43 HG13 ILE 6 HG13 ILE 6 4.947 -4.555 -14.302 44 HG21 ILE 6 HG21 ILE 6 6.197 -1.745 -12.523 45 HG22 ILE 6 HG22 ILE 6 4.654 -1.654 -11.674 46 HG23 ILE 6 HG23 ILE 6 6.052 -2.385 -10.886 47 HD11 ILE 6 HD11 ILE 6 5.501 -1.939 -15.180 48 HD12 ILE 6 HD12 ILE 6 3.998 -2.850 -15.330 49 HD13 ILE 6 HD13 ILE 6 4.267 -1.820 -13.924 50 H ALA 7 H ALA 7 4.234 -6.581 -11.703 51 HA ALA 7 HA ALA 7 5.583 -8.091 -13.848 52 HB1 ALA 7 HB1 ALA 7 4.535 -10.124 -12.806 53 HB2 ALA 7 HB2 ALA 7 5.795 -9.349 -11.845 54 HB3 ALA 7 HB3 ALA 7 4.097 -9.105 -11.434 55 H ASP 8 H ASP 8 4.173 -9.393 -15.213 56 HA ASP 8 HA ASP 8 1.665 -7.988 -15.747 57 HB2 ASP 8 HB2 ASP 8 1.722 -9.171 -17.919 58 HB3 ASP 8 HB3 ASP 8 3.187 -8.236 -17.631 59 H ASP 9 H ASP 9 0.179 -9.841 -17.043 60 HA ASP 9 HA ASP 9 -1.129 -11.196 -14.988 61 HB2 ASP 9 HB2 ASP 9 -1.940 -10.573 -17.376 62 HB3 ASP 9 HB3 ASP 9 -1.269 -12.135 -17.839 63 H LYS 10 H LYS 10 1.655 -12.068 -16.799 64 HA LYS 10 HA LYS 10 1.460 -14.868 -15.945 65 HB2 LYS 10 HB2 LYS 10 3.418 -13.563 -17.845 66 HB3 LYS 10 HB3 LYS 10 3.311 -15.284 -17.498 67 HG2 LYS 10 HG2 LYS 10 0.760 -14.707 -18.273 68 HG3 LYS 10 HG3 LYS 10 1.713 -13.625 -19.291 69 HD2 LYS 10 HD2 LYS 10 3.165 -15.763 -19.694 70 HD3 LYS 10 HD3 LYS 10 1.708 -16.611 -19.171 71 HE2 LYS 10 HE2 LYS 10 1.900 -14.632 -21.440 72 HE3 LYS 10 HE3 LYS 10 1.771 -16.383 -21.599 73 HZ1 LYS 10 HZ1 LYS 10 -0.337 -15.645 -20.001 74 HZ2 LYS 10 HZ2 LYS 10 -0.286 -14.458 -21.206 75 HZ3 LYS 10 HZ3 LYS 10 -0.414 -16.091 -21.631 76 H ASN 11 H ASN 11 2.128 -12.509 -14.216 77 HA ASN 11 HA ASN 11 3.602 -11.912 -12.582 78 HB2 ASN 11 HB2 ASN 11 2.966 -14.391 -12.086 79 HB3 ASN 11 HB3 ASN 11 4.619 -14.738 -12.588 80 HD21 ASN 11 HD21 ASN 11 6.225 -14.440 -11.181 81 HD22 ASN 11 HD22 ASN 11 6.051 -13.735 -9.613 82 H CYS 12 H CYS 12 4.531 -11.817 -15.392 83 HA CYS 12 HA CYS 12 7.404 -12.297 -15.090 84 HB2 CYS 12 HB2 CYS 12 5.755 -11.556 -17.515 85 HB3 CYS 12 HB3 CYS 12 7.498 -11.800 -17.529 86 H ALA 13 H ALA 13 8.888 -10.695 -15.003 87 HA ALA 13 HA ALA 13 8.127 -8.121 -14.184 88 HB1 ALA 13 HB1 ALA 13 10.567 -9.580 -14.527 89 HB2 ALA 13 HB2 ALA 13 10.753 -7.949 -15.170 90 HB3 ALA 13 HB3 ALA 13 10.237 -8.185 -13.500 91 H TYR 14 H TYR 14 7.914 -6.201 -15.229 92 HA TYR 14 HA TYR 14 7.296 -6.221 -17.989 93 HB2 TYR 14 HB2 TYR 14 7.399 -4.202 -15.828 94 HB3 TYR 14 HB3 TYR 14 7.571 -3.581 -17.466 95 HD1 TYR 14 HD1 TYR 14 5.555 -2.534 -17.958 96 HD2 TYR 14 HD2 TYR 14 5.494 -6.398 -16.177 97 HE1 TYR 14 HE1 TYR 14 3.114 -2.624 -18.251 98 HE2 TYR 14 HE2 TYR 14 3.054 -6.499 -16.466 99 HH TYR 14 HH TYR 14 1.216 -5.348 -17.022 100 H PHE 15 H PHE 15 9.032 -6.884 -19.212 101 HA PHE 15 HA PHE 15 11.656 -5.841 -18.942 102 HB2 PHE 15 HB2 PHE 15 10.492 -7.078 -21.437 103 HB3 PHE 15 HB3 PHE 15 12.179 -7.050 -20.934 104 HD1 PHE 15 HD1 PHE 15 10.034 -9.353 -21.606 105 HD2 PHE 15 HD2 PHE 15 11.882 -7.836 -18.085 106 HE1 PHE 15 HE1 PHE 15 9.737 -11.538 -20.513 107 HE2 PHE 15 HE2 PHE 15 11.589 -10.018 -16.987 108 HZ PHE 15 HZ PHE 15 10.516 -11.873 -18.201 109 H CYS 16 H CYS 16 11.134 -3.548 -18.844 110 HA CYS 16 HA CYS 16 10.191 -2.246 -21.241 111 HB2 CYS 16 HB2 CYS 16 10.536 -0.165 -19.989 112 HB3 CYS 16 HB3 CYS 16 9.630 -1.334 -19.033 113 H GLY 17 H GLY 17 11.615 -0.123 -21.755 114 HA2 GLY 17 HA2 GLY 17 14.442 -0.871 -21.955 115 HA3 GLY 17 HA3 GLY 17 13.558 -0.582 -23.446 116 H ARG 18 H ARG 18 11.932 1.547 -22.211 117 HA ARG 18 HA ARG 18 14.006 3.639 -22.103 118 HB2 ARG 18 HB2 ARG 18 11.448 3.451 -23.585 119 HB3 ARG 18 HB3 ARG 18 11.818 5.016 -22.874 120 HG2 ARG 18 HG2 ARG 18 14.149 4.617 -24.028 121 HG3 ARG 18 HG3 ARG 18 13.194 3.550 -25.060 122 HD2 ARG 18 HD2 ARG 18 12.181 6.295 -24.503 123 HD3 ARG 18 HD3 ARG 18 13.510 6.099 -25.644 124 HE ARG 18 HE ARG 18 10.776 5.496 -26.106 125 HH11 ARG 18 HH11 ARG 18 14.006 4.422 -26.837 126 HH12 ARG 18 HH12 ARG 18 13.560 3.684 -28.340 127 HH21 ARG 18 HH21 ARG 18 10.177 4.529 -28.083 128 HH22 ARG 18 HH22 ARG 18 11.383 3.747 -29.049 129 H ASN 19 H ASN 19 13.950 5.091 -20.471 130 HA ASN 19 HA ASN 19 12.660 4.525 -18.087 131 HB2 ASN 19 HB2 ASN 19 13.935 7.016 -19.179 132 HB3 ASN 19 HB3 ASN 19 13.137 7.044 -17.609 133 HD21 ASN 19 HD21 ASN 19 14.883 7.287 -16.329 134 HD22 ASN 19 HD22 ASN 19 16.161 6.131 -16.198 135 H ALA 20 H ALA 20 11.824 7.103 -20.408 136 HA ALA 20 HA ALA 20 9.574 8.108 -19.209 137 HB1 ALA 20 HB1 ALA 20 9.643 7.678 -22.175 138 HB2 ALA 20 HB2 ALA 20 8.992 9.040 -21.263 139 HB3 ALA 20 HB3 ALA 20 10.737 8.817 -21.390 140 H TYR 21 H TYR 21 9.744 5.325 -21.416 141 HA TYR 21 HA TYR 21 7.051 4.724 -21.590 142 HB2 TYR 21 HB2 TYR 21 8.440 3.488 -23.006 143 HB3 TYR 21 HB3 TYR 21 9.527 3.029 -21.699 144 HD1 TYR 21 HD1 TYR 21 6.366 2.280 -23.389 145 HD2 TYR 21 HD2 TYR 21 8.996 1.164 -20.236 146 HE1 TYR 21 HE1 TYR 21 5.177 0.139 -23.163 147 HE2 TYR 21 HE2 TYR 21 7.815 -0.981 -20.003 148 HH TYR 21 HH TYR 21 6.200 -2.288 -20.777 149 H CYS 22 H CYS 22 9.400 3.466 -19.226 150 HA CYS 22 HA CYS 22 7.621 1.907 -17.744 151 HB2 CYS 22 HB2 CYS 22 10.306 3.055 -17.328 152 HB3 CYS 22 HB3 CYS 22 9.413 2.701 -15.852 153 H ASP 23 H ASP 23 8.630 5.279 -17.253 154 HA ASP 23 HA ASP 23 7.268 5.845 -14.924 155 HB2 ASP 23 HB2 ASP 23 8.839 7.376 -16.148 156 HB3 ASP 23 HB3 ASP 23 7.525 7.741 -17.264 157 H GLU 24 H GLU 24 6.037 5.695 -18.217 158 HA GLU 24 HA GLU 24 3.474 6.771 -17.641 159 HB2 GLU 24 HB2 GLU 24 4.753 6.322 -19.929 160 HB3 GLU 24 HB3 GLU 24 3.832 4.826 -19.869 161 HG2 GLU 24 HG2 GLU 24 2.377 6.120 -21.031 162 HG3 GLU 24 HG3 GLU 24 1.834 6.475 -19.392 163 H GLU 25 H GLU 25 4.500 3.412 -18.278 164 HA GLU 25 HA GLU 25 2.065 2.203 -17.642 165 HB2 GLU 25 HB2 GLU 25 4.726 0.897 -17.124 166 HB3 GLU 25 HB3 GLU 25 3.222 0.147 -17.640 167 HG2 GLU 25 HG2 GLU 25 5.185 1.730 -19.236 168 HG3 GLU 25 HG3 GLU 25 4.506 0.137 -19.560 169 H CYS 26 H CYS 26 4.683 3.297 -15.604 170 HA CYS 26 HA CYS 26 3.970 1.915 -13.250 171 HB2 CYS 26 HB2 CYS 26 5.609 4.347 -13.855 172 HB3 CYS 26 HB3 CYS 26 5.202 3.977 -12.182 173 H LYS 27 H LYS 27 3.613 5.417 -13.800 174 HA LYS 27 HA LYS 27 1.811 5.895 -11.753 175 HB2 LYS 27 HB2 LYS 27 2.881 7.743 -12.815 176 HB3 LYS 27 HB3 LYS 27 2.222 7.307 -14.387 177 HG2 LYS 27 HG2 LYS 27 1.079 9.238 -13.462 178 HG3 LYS 27 HG3 LYS 27 -0.021 7.865 -13.611 179 HD2 LYS 27 HD2 LYS 27 0.046 7.442 -11.282 180 HD3 LYS 27 HD3 LYS 27 1.421 8.525 -11.052 181 HE2 LYS 27 HE2 LYS 27 -0.258 10.300 -12.046 182 HE3 LYS 27 HE3 LYS 27 -1.462 9.158 -11.450 183 HZ1 LYS 27 HZ1 LYS 27 -0.959 10.830 -9.793 184 HZ2 LYS 27 HZ2 LYS 27 -0.452 9.308 -9.253 185 HZ3 LYS 27 HZ3 LYS 27 0.683 10.423 -9.830 186 H LYS 28 H LYS 28 1.203 4.896 -15.080 187 HA LYS 28 HA LYS 28 -1.595 5.183 -15.059 188 HB2 LYS 28 HB2 LYS 28 0.284 3.463 -16.661 189 HB3 LYS 28 HB3 LYS 28 -1.458 3.376 -16.891 190 HG2 LYS 28 HG2 LYS 28 -0.551 6.110 -16.934 191 HG3 LYS 28 HG3 LYS 28 0.319 5.129 -18.116 192 HD2 LYS 28 HD2 LYS 28 -2.635 4.822 -17.931 193 HD3 LYS 28 HD3 LYS 28 -1.995 6.279 -18.693 194 HE2 LYS 28 HE2 LYS 28 -0.731 3.770 -19.552 195 HE3 LYS 28 HE3 LYS 28 -2.435 3.924 -19.976 196 HZ1 LYS 28 HZ1 LYS 28 -1.551 4.980 -21.747 197 HZ2 LYS 28 HZ2 LYS 28 -1.569 6.311 -20.703 198 HZ3 LYS 28 HZ3 LYS 28 -0.139 5.436 -20.934 199 H LYS 29 H LYS 29 0.494 2.797 -13.688 200 HA LYS 29 HA LYS 29 -1.707 0.925 -13.258 201 HB2 LYS 29 HB2 LYS 29 1.264 0.783 -13.046 202 HB3 LYS 29 HB3 LYS 29 0.313 -0.301 -12.039 203 HG2 LYS 29 HG2 LYS 29 -0.809 -0.491 -14.587 204 HG3 LYS 29 HG3 LYS 29 0.939 -0.479 -14.838 205 HD2 LYS 29 HD2 LYS 29 -0.044 -2.182 -12.635 206 HD3 LYS 29 HD3 LYS 29 -0.476 -2.700 -14.267 207 HE2 LYS 29 HE2 LYS 29 2.015 -2.339 -14.807 208 HE3 LYS 29 HE3 LYS 29 2.247 -2.341 -13.059 209 HZ1 LYS 29 HZ1 LYS 29 2.280 -4.538 -14.582 210 HZ2 LYS 29 HZ2 LYS 29 1.901 -4.538 -12.933 211 HZ3 LYS 29 HZ3 LYS 29 0.662 -4.533 -14.085 212 H GLY 30 H GLY 30 -1.452 3.603 -11.923 213 HA2 GLY 30 HA2 GLY 30 -2.338 4.251 -9.852 214 HA3 GLY 30 HA3 GLY 30 -2.017 2.638 -9.234 215 H ALA 31 H ALA 31 0.774 2.723 -10.235 216 HA ALA 31 HA ALA 31 2.117 3.433 -7.956 217 HB1 ALA 31 HB1 ALA 31 3.470 3.854 -10.582 218 HB2 ALA 31 HB2 ALA 31 4.076 3.089 -9.112 219 HB3 ALA 31 HB3 ALA 31 2.919 2.239 -10.137 220 H GLU 32 H GLU 32 3.721 5.201 -7.637 221 HA GLU 32 HA GLU 32 2.447 7.758 -8.218 222 HB2 GLU 32 HB2 GLU 32 3.292 6.979 -5.897 223 HB3 GLU 32 HB3 GLU 32 4.889 7.391 -6.506 224 HG2 GLU 32 HG2 GLU 32 4.238 9.676 -6.831 225 HG3 GLU 32 HG3 GLU 32 2.568 9.302 -6.408 226 H SER 33 H SER 33 5.373 5.977 -8.915 227 HA SER 33 HA SER 33 5.985 7.333 -11.249 228 HB2 SER 33 HB2 SER 33 6.908 8.705 -8.830 229 HB3 SER 33 HB3 SER 33 8.199 8.386 -9.988 230 HG SER 33 HG SER 33 7.291 9.710 -11.393 231 H GLY 34 H GLY 34 7.922 6.593 -12.245 232 HA2 GLY 34 HA2 GLY 34 9.751 4.886 -10.846 233 HA3 GLY 34 HA3 GLY 34 8.608 3.973 -11.820 234 H TYR 35 H TYR 35 10.511 3.239 -12.984 235 HA TYR 35 HA TYR 35 10.875 4.607 -15.413 236 HB2 TYR 35 HB2 TYR 35 13.375 5.043 -15.108 237 HB3 TYR 35 HB3 TYR 35 12.272 6.174 -14.331 238 HD1 TYR 35 HD1 TYR 35 13.570 2.814 -13.325 239 HD2 TYR 35 HD2 TYR 35 13.223 6.947 -12.375 240 HE1 TYR 35 HE1 TYR 35 14.681 2.406 -11.168 241 HE2 TYR 35 HE2 TYR 35 14.333 6.551 -10.217 242 HH TYR 35 HH TYR 35 14.853 4.843 -8.701 243 H CYS 36 H CYS 36 13.154 3.670 -16.414 244 HA CYS 36 HA CYS 36 12.817 0.769 -16.196 245 HB2 CYS 36 HB2 CYS 36 12.801 2.232 -18.412 246 HB3 CYS 36 HB3 CYS 36 14.544 2.017 -18.285 247 H GLN 37 H GLN 37 14.149 -0.223 -14.839 248 HA GLN 37 HA GLN 37 16.979 0.584 -14.821 249 HB2 GLN 37 HB2 GLN 37 15.872 1.384 -12.772 250 HB3 GLN 37 HB3 GLN 37 15.351 -0.258 -12.416 251 HG2 GLN 37 HG2 GLN 37 17.439 -0.938 -11.789 252 HG3 GLN 37 HG3 GLN 37 18.251 0.256 -12.799 253 HE21 GLN 37 HE21 GLN 37 17.142 2.585 -12.026 254 HE22 GLN 37 HE22 GLN 37 17.483 2.898 -10.361 255 H TRP 38 H TRP 38 18.314 -1.017 -15.322 256 HA TRP 38 HA TRP 38 17.336 -3.678 -15.717 257 HB2 TRP 38 HB2 TRP 38 19.695 -4.172 -16.365 258 HB3 TRP 38 HB3 TRP 38 18.998 -2.809 -17.237 259 HD1 TRP 38 HD1 TRP 38 20.994 -3.115 -13.906 260 HE1 TRP 38 HE1 TRP 38 22.811 -1.292 -13.914 261 HE3 TRP 38 HE3 TRP 38 20.002 -1.002 -18.454 262 HZ2 TRP 38 HZ2 TRP 38 23.705 0.770 -15.623 263 HZ3 TRP 38 HZ3 TRP 38 21.384 0.892 -19.201 264 HH2 TRP 38 HH2 TRP 38 23.196 1.758 -17.814 265 H ALA 39 H ALA 39 18.704 -5.569 -14.876 266 HA ALA 39 HA ALA 39 20.145 -5.455 -12.497 267 HB1 ALA 39 HB1 ALA 39 18.604 -5.013 -10.955 268 HB2 ALA 39 HB2 ALA 39 17.293 -5.171 -12.124 269 HB3 ALA 39 HB3 ALA 39 17.915 -6.600 -11.298 270 H GLY 40 H GLY 40 20.575 -7.564 -11.582 271 HA2 GLY 40 HA2 GLY 40 20.848 -9.582 -13.493 272 HA3 GLY 40 HA3 GLY 40 21.005 -9.811 -11.757 273 H GLN 41 H GLN 41 18.558 -9.445 -10.763 274 HA GLN 41 HA GLN 41 17.223 -11.831 -11.361 275 HB2 GLN 41 HB2 GLN 41 15.391 -10.926 -9.956 276 HB3 GLN 41 HB3 GLN 41 16.972 -10.777 -9.202 277 HG2 GLN 41 HG2 GLN 41 17.029 -8.409 -10.039 278 HG3 GLN 41 HG3 GLN 41 15.339 -8.613 -10.494 279 HE21 GLN 41 HE21 GLN 41 16.718 -6.888 -8.483 280 HE22 GLN 41 HE22 GLN 41 15.888 -7.192 -6.999 281 H TYR 42 H TYR 42 15.789 -12.375 -12.871 282 HA TYR 42 HA TYR 42 14.599 -12.207 -14.820 283 HB2 TYR 42 HB2 TYR 42 12.980 -9.942 -14.151 284 HB3 TYR 42 HB3 TYR 42 12.545 -11.648 -14.144 285 HD1 TYR 42 HD1 TYR 42 13.128 -13.004 -12.044 286 HD2 TYR 42 HD2 TYR 42 13.118 -8.750 -12.146 287 HE1 TYR 42 HE1 TYR 42 12.943 -12.951 -9.592 288 HE2 TYR 42 HE2 TYR 42 12.934 -8.686 -9.694 289 HH TYR 42 HH TYR 42 12.211 -10.089 -7.865 290 H GLY 43 H GLY 43 17.059 -10.673 -14.791 291 HA2 GLY 43 HA2 GLY 43 18.146 -9.046 -15.996 292 HA3 GLY 43 HA3 GLY 43 16.900 -9.340 -17.200 293 H ASN 44 H ASN 44 16.315 -7.377 -17.891 294 HA ASN 44 HA ASN 44 16.118 -5.140 -16.074 295 HB2 ASN 44 HB2 ASN 44 16.755 -5.286 -18.693 296 HB3 ASN 44 HB3 ASN 44 15.042 -4.900 -18.825 297 HD21 ASN 44 HD21 ASN 44 14.790 -3.318 -16.529 298 HD22 ASN 44 HD22 ASN 44 15.661 -1.848 -16.786 299 H ALA 45 H ALA 45 14.377 -4.703 -14.908 300 HA ALA 45 HA ALA 45 11.733 -5.421 -15.985 301 HB1 ALA 45 HB1 ALA 45 12.364 -7.046 -14.269 302 HB2 ALA 45 HB2 ALA 45 12.604 -5.734 -13.115 303 HB3 ALA 45 HB3 ALA 45 10.994 -6.063 -13.755 304 H CYS 46 H CYS 46 10.180 -3.895 -15.808 305 HA CYS 46 HA CYS 46 10.834 -1.228 -15.377 306 HB2 CYS 46 HB2 CYS 46 8.768 -2.324 -16.542 307 HB3 CYS 46 HB3 CYS 46 8.033 -2.210 -14.946 308 H TRP 47 H TRP 47 11.184 -0.079 -13.602 309 HA TRP 47 HA TRP 47 10.365 -1.201 -11.017 310 HB2 TRP 47 HB2 TRP 47 12.705 -0.788 -11.067 311 HB3 TRP 47 HB3 TRP 47 12.483 0.802 -11.792 312 HD1 TRP 47 HD1 TRP 47 11.616 2.780 -10.155 313 HE1 TRP 47 HE1 TRP 47 11.823 3.065 -7.605 314 HE3 TRP 47 HE3 TRP 47 12.741 -2.043 -8.887 315 HZ2 TRP 47 HZ2 TRP 47 12.388 1.458 -5.354 316 HZ3 TRP 47 HZ3 TRP 47 13.101 -2.585 -6.514 317 HH2 TRP 47 HH2 TRP 47 12.928 -0.870 -4.786 318 H CYS 48 H CYS 48 8.928 -0.207 -9.729 319 HA CYS 48 HA CYS 48 8.075 2.518 -10.439 320 HB2 CYS 48 HB2 CYS 48 6.293 0.178 -9.733 321 HB3 CYS 48 HB3 CYS 48 5.740 1.844 -9.867 322 H TYR 49 H TYR 49 6.958 3.651 -8.669 323 HA TYR 49 HA TYR 49 8.064 2.842 -6.064 324 HB2 TYR 49 HB2 TYR 49 7.603 5.507 -7.342 325 HB3 TYR 49 HB3 TYR 49 7.559 5.383 -5.587 326 HD1 TYR 49 HD1 TYR 49 9.645 5.686 -8.467 327 HD2 TYR 49 HD2 TYR 49 9.603 4.361 -4.424 328 HE1 TYR 49 HE1 TYR 49 12.100 5.819 -8.405 329 HE2 TYR 49 HE2 TYR 49 12.058 4.491 -4.350 330 HH TYR 49 HH TYR 49 13.871 5.812 -5.616 331 H LYS 50 H LYS 50 6.779 2.827 -4.251 332 HA LYS 50 HA LYS 50 4.837 2.311 -3.147 333 HB2 LYS 50 HB2 LYS 50 3.925 4.869 -4.474 334 HB3 LYS 50 HB3 LYS 50 3.291 4.175 -2.988 335 HG2 LYS 50 HG2 LYS 50 6.163 4.617 -2.887 336 HG3 LYS 50 HG3 LYS 50 5.245 6.096 -3.176 337 HD2 LYS 50 HD2 LYS 50 5.314 5.991 -0.861 338 HD3 LYS 50 HD3 LYS 50 3.752 5.255 -1.229 339 HE2 LYS 50 HE2 LYS 50 4.880 3.023 -1.129 340 HE3 LYS 50 HE3 LYS 50 6.330 3.845 -0.553 341 HZ1 LYS 50 HZ1 LYS 50 3.798 4.314 0.851 342 HZ2 LYS 50 HZ2 LYS 50 4.606 2.851 1.114 343 HZ3 LYS 50 HZ3 LYS 50 5.379 4.318 1.452 344 H LEU 51 H LEU 51 4.761 0.599 -5.042 345 HA LEU 51 HA LEU 51 2.645 0.911 -6.939 346 HB2 LEU 51 HB2 LEU 51 4.451 -1.296 -6.087 347 HB3 LEU 51 HB3 LEU 51 2.988 -1.707 -6.981 348 HG LEU 51 HG LEU 51 5.204 0.103 -7.942 349 HD11 LEU 51 HD11 LEU 51 5.236 -2.615 -7.814 350 HD12 LEU 51 HD12 LEU 51 4.551 -2.342 -9.416 351 HD13 LEU 51 HD13 LEU 51 6.118 -1.649 -8.996 352 HD21 LEU 51 HD21 LEU 51 3.049 0.815 -8.804 353 HD22 LEU 51 HD22 LEU 51 3.997 0.054 -10.081 354 HD23 LEU 51 HD23 LEU 51 2.683 -0.834 -9.309 355 HA PRO 52 HA PRO 52 -0.812 -0.196 -4.453 356 HB2 PRO 52 HB2 PRO 52 -2.465 -1.143 -6.388 357 HB3 PRO 52 HB3 PRO 52 -2.115 0.578 -6.180 358 HG2 PRO 52 HG2 PRO 52 -0.935 -1.375 -8.119 359 HG3 PRO 52 HG3 PRO 52 -1.462 0.296 -8.394 360 HD2 PRO 52 HD2 PRO 52 1.139 -0.373 -8.053 361 HD3 PRO 52 HD3 PRO 52 0.476 1.185 -7.520 362 H ASP 53 H ASP 53 -1.350 -1.920 -3.257 363 HA ASP 53 HA ASP 53 -0.080 -4.345 -3.348 364 HB2 ASP 53 HB2 ASP 53 -1.748 -3.271 -1.594 365 HB3 ASP 53 HB3 ASP 53 -2.915 -4.310 -2.408 366 H LYS 54 H LYS 54 -2.825 -3.296 -5.204 367 HA LYS 54 HA LYS 54 -3.790 -5.816 -6.021 368 HB2 LYS 54 HB2 LYS 54 -3.939 -3.092 -7.314 369 HB3 LYS 54 HB3 LYS 54 -4.759 -4.508 -7.959 370 HG2 LYS 54 HG2 LYS 54 -6.169 -4.672 -6.076 371 HG3 LYS 54 HG3 LYS 54 -5.193 -3.526 -5.154 372 HD2 LYS 54 HD2 LYS 54 -6.593 -2.765 -7.705 373 HD3 LYS 54 HD3 LYS 54 -7.378 -2.655 -6.128 374 HE2 LYS 54 HE2 LYS 54 -5.709 -1.108 -5.349 375 HE3 LYS 54 HE3 LYS 54 -4.766 -1.318 -6.824 376 HZ1 LYS 54 HZ1 LYS 54 -7.544 -0.331 -6.941 377 HZ2 LYS 54 HZ2 LYS 54 -6.267 0.729 -6.613 378 HZ3 LYS 54 HZ3 LYS 54 -6.298 -0.133 -8.068 379 H VAL 55 H VAL 55 -1.335 -3.659 -7.363 380 HA VAL 55 HA VAL 55 -0.825 -5.437 -9.596 381 HB VAL 55 HB VAL 55 0.584 -2.908 -8.734 382 HG11 VAL 55 HG11 VAL 55 1.009 -3.504 -11.470 383 HG12 VAL 55 HG12 VAL 55 2.198 -3.413 -10.170 384 HG13 VAL 55 HG13 VAL 55 1.409 -4.947 -10.538 385 HG21 VAL 55 HG21 VAL 55 -0.747 -1.734 -10.177 386 HG22 VAL 55 HG22 VAL 55 -1.051 -3.131 -11.209 387 HG23 VAL 55 HG23 VAL 55 -1.886 -2.978 -9.663 388 HA PRO 56 HA PRO 56 2.041 -7.752 -7.025 389 HB2 PRO 56 HB2 PRO 56 2.474 -9.703 -8.862 390 HB3 PRO 56 HB3 PRO 56 1.035 -9.651 -7.837 391 HG2 PRO 56 HG2 PRO 56 1.368 -8.771 -10.678 392 HG3 PRO 56 HG3 PRO 56 0.036 -9.675 -9.936 393 HD2 PRO 56 HD2 PRO 56 -0.108 -7.018 -10.437 394 HD3 PRO 56 HD3 PRO 56 -0.931 -7.775 -9.058 395 H ILE 57 H ILE 57 4.282 -8.455 -7.265 396 HA ILE 57 HA ILE 57 5.720 -6.954 -9.357 397 HB ILE 57 HB ILE 57 7.577 -6.673 -7.746 398 HG12 ILE 57 HG12 ILE 57 5.865 -7.203 -5.409 399 HG13 ILE 57 HG13 ILE 57 6.345 -8.641 -6.304 400 HG21 ILE 57 HG21 ILE 57 6.718 -4.681 -7.262 401 HG22 ILE 57 HG22 ILE 57 5.179 -5.262 -7.899 402 HG23 ILE 57 HG23 ILE 57 5.526 -5.394 -6.175 403 HD11 ILE 57 HD11 ILE 57 8.331 -8.596 -5.343 404 HD12 ILE 57 HD12 ILE 57 8.623 -6.969 -5.957 405 HD13 ILE 57 HD13 ILE 57 7.825 -7.194 -4.401 406 H LYS 58 H LYS 58 7.698 -7.855 -10.104 407 HA LYS 58 HA LYS 58 7.630 -10.668 -10.434 408 HB2 LYS 58 HB2 LYS 58 8.556 -9.169 -12.138 409 HB3 LYS 58 HB3 LYS 58 9.845 -8.698 -11.037 410 HG2 LYS 58 HG2 LYS 58 10.641 -10.304 -12.669 411 HG3 LYS 58 HG3 LYS 58 10.692 -10.989 -11.043 412 HD2 LYS 58 HD2 LYS 58 8.489 -12.077 -11.527 413 HD3 LYS 58 HD3 LYS 58 8.649 -11.526 -13.196 414 HE2 LYS 58 HE2 LYS 58 11.001 -12.708 -12.986 415 HE3 LYS 58 HE3 LYS 58 10.173 -13.616 -11.722 416 HZ1 LYS 58 HZ1 LYS 58 8.487 -14.253 -13.321 417 HZ2 LYS 58 HZ2 LYS 58 9.255 -13.359 -14.536 418 HZ3 LYS 58 HZ3 LYS 58 10.018 -14.716 -13.873 419 H VAL 59 H VAL 59 8.734 -12.283 -9.452 420 HA VAL 59 HA VAL 59 10.836 -11.641 -7.533 421 HB VAL 59 HB VAL 59 9.768 -13.175 -5.836 422 HG11 VAL 59 HG11 VAL 59 9.600 -10.494 -6.135 423 HG12 VAL 59 HG12 VAL 59 7.890 -10.922 -6.073 424 HG13 VAL 59 HG13 VAL 59 8.961 -11.375 -4.747 425 HG21 VAL 59 HG21 VAL 59 7.911 -13.555 -7.906 426 HG22 VAL 59 HG22 VAL 59 7.845 -14.203 -6.266 427 HG23 VAL 59 HG23 VAL 59 7.061 -12.668 -6.640 428 H SER 60 H SER 60 11.968 -13.591 -6.756 429 HA SER 60 HA SER 60 12.842 -15.219 -8.793 430 HB2 SER 60 HB2 SER 60 14.176 -15.093 -6.835 431 HB3 SER 60 HB3 SER 60 12.851 -15.631 -5.804 432 HG SER 60 HG SER 60 13.442 -17.603 -6.171 433 H GLY 61 H GLY 61 12.612 -17.552 -9.106 434 HA2 GLY 61 HA2 GLY 61 11.219 -19.535 -8.492 435 HA3 GLY 61 HA3 GLY 61 9.847 -18.437 -8.548 436 H LYS 62 H LYS 62 8.785 -18.191 -10.418 437 HA LYS 62 HA LYS 62 9.978 -18.444 -12.977 438 HB2 LYS 62 HB2 LYS 62 8.846 -20.860 -11.741 439 HB3 LYS 62 HB3 LYS 62 8.232 -20.518 -13.353 440 HG2 LYS 62 HG2 LYS 62 10.801 -20.204 -13.880 441 HG3 LYS 62 HG3 LYS 62 10.968 -21.265 -12.479 442 HD2 LYS 62 HD2 LYS 62 9.637 -22.960 -13.522 443 HD3 LYS 62 HD3 LYS 62 9.210 -21.879 -14.851 444 HE2 LYS 62 HE2 LYS 62 11.236 -22.113 -15.872 445 HE3 LYS 62 HE3 LYS 62 12.093 -22.381 -14.354 446 HZ1 LYS 62 HZ1 LYS 62 11.408 -24.606 -14.290 447 HZ2 LYS 62 HZ2 LYS 62 10.230 -24.384 -15.483 448 HZ3 LYS 62 HZ3 LYS 62 11.870 -24.350 -15.897 449 H CYS 63 H CYS 63 8.624 -17.743 -14.609 450 HA CYS 63 HA CYS 63 6.519 -16.061 -13.952 451 HB2 CYS 63 HB2 CYS 63 7.537 -17.269 -16.470 452 HB3 CYS 63 HB3 CYS 63 5.921 -16.572 -16.514 453 H ASN 64 H ASN 64 4.313 -16.238 -13.918 454 HA ASN 64 HA ASN 64 3.240 -18.832 -13.365 455 HB2 ASN 64 HB2 ASN 64 1.982 -16.095 -13.572 456 HB3 ASN 64 HB3 ASN 64 1.059 -17.544 -13.189 457 HD21 ASN 64 HD21 ASN 64 0.499 -16.742 -11.168 458 HD22 ASN 64 HD22 ASN 64 1.631 -16.668 -9.865 Start of MODEL 20 1 H1 VAL 1 H VAL 1 1.797 0.199 0.869 2 HA VAL 1 HA VAL 1 1.566 -0.535 -1.927 3 HB VAL 1 HB VAL 1 3.002 1.527 -2.538 4 HG11 VAL 1 HG11 VAL 1 0.081 1.940 -1.914 5 HG12 VAL 1 HG12 VAL 1 1.036 2.785 -3.133 6 HG13 VAL 1 HG13 VAL 1 0.693 1.065 -3.317 7 HG21 VAL 1 HG21 VAL 1 2.820 3.457 -1.217 8 HG22 VAL 1 HG22 VAL 1 1.531 2.766 -0.232 9 HG23 VAL 1 HG23 VAL 1 3.181 2.167 -0.071 10 H ARG 2 H ARG 2 3.864 -0.354 -2.965 11 HA ARG 2 HA ARG 2 6.096 -0.598 -1.192 12 HB2 ARG 2 HB2 ARG 2 6.606 -2.933 -1.575 13 HB3 ARG 2 HB3 ARG 2 5.005 -2.796 -0.861 14 HG2 ARG 2 HG2 ARG 2 3.946 -3.511 -2.750 15 HG3 ARG 2 HG3 ARG 2 5.214 -2.911 -3.821 16 HD2 ARG 2 HD2 ARG 2 5.490 -5.286 -1.983 17 HD3 ARG 2 HD3 ARG 2 5.109 -5.385 -3.701 18 HE ARG 2 HE ARG 2 7.300 -4.644 -4.199 19 HH11 ARG 2 HH11 ARG 2 6.735 -5.119 -0.797 20 HH12 ARG 2 HH12 ARG 2 8.419 -5.183 -0.393 21 HH21 ARG 2 HH21 ARG 2 9.519 -4.727 -3.681 22 HH22 ARG 2 HH22 ARG 2 10.002 -4.959 -2.034 23 H ASP 3 H ASP 3 8.086 -0.689 -2.288 24 HA ASP 3 HA ASP 3 7.899 0.101 -5.095 25 HB2 ASP 3 HB2 ASP 3 10.470 0.120 -3.564 26 HB3 ASP 3 HB3 ASP 3 9.914 1.212 -4.830 27 H GLY 4 H GLY 4 8.789 -1.026 -6.756 28 HA2 GLY 4 HA2 GLY 4 10.812 -2.884 -6.720 29 HA3 GLY 4 HA3 GLY 4 9.364 -3.797 -6.321 30 H TYR 5 H TYR 5 10.216 -4.835 -8.407 31 HA TYR 5 HA TYR 5 9.554 -3.395 -10.831 32 HB2 TYR 5 HB2 TYR 5 10.482 -6.243 -10.406 33 HB3 TYR 5 HB3 TYR 5 10.284 -5.468 -11.974 34 HD1 TYR 5 HD1 TYR 5 11.697 -3.380 -12.445 35 HD2 TYR 5 HD2 TYR 5 12.503 -6.066 -9.245 36 HE1 TYR 5 HE1 TYR 5 14.002 -2.531 -12.321 37 HE2 TYR 5 HE2 TYR 5 14.810 -5.223 -9.111 38 HH TYR 5 HH TYR 5 16.432 -4.080 -10.440 39 H ILE 6 H ILE 6 7.715 -3.551 -11.957 40 HA ILE 6 HA ILE 6 5.494 -4.979 -10.823 41 HB ILE 6 HB ILE 6 4.125 -3.837 -12.305 42 HG12 ILE 6 HG12 ILE 6 6.523 -3.596 -14.131 43 HG13 ILE 6 HG13 ILE 6 5.090 -4.585 -14.390 44 HG21 ILE 6 HG21 ILE 6 4.597 -1.709 -11.764 45 HG22 ILE 6 HG22 ILE 6 5.966 -2.415 -10.907 46 HG23 ILE 6 HG23 ILE 6 6.185 -1.760 -12.529 47 HD11 ILE 6 HD11 ILE 6 5.552 -2.003 -15.309 48 HD12 ILE 6 HD12 ILE 6 4.039 -2.906 -15.372 49 HD13 ILE 6 HD13 ILE 6 4.367 -1.829 -14.015 50 H ALA 7 H ALA 7 4.247 -6.591 -11.847 51 HA ALA 7 HA ALA 7 5.686 -8.102 -13.931 52 HB1 ALA 7 HB1 ALA 7 5.871 -9.408 -11.988 53 HB2 ALA 7 HB2 ALA 7 4.201 -9.094 -11.516 54 HB3 ALA 7 HB3 ALA 7 4.546 -10.132 -12.899 55 H ASP 8 H ASP 8 4.295 -9.482 -15.283 56 HA ASP 8 HA ASP 8 1.821 -8.067 -15.938 57 HB2 ASP 8 HB2 ASP 8 1.934 -9.444 -18.048 58 HB3 ASP 8 HB3 ASP 8 3.283 -8.337 -17.811 59 H ASP 9 H ASP 9 0.316 -9.903 -17.188 60 HA ASP 9 HA ASP 9 -1.013 -11.218 -15.114 61 HB2 ASP 9 HB2 ASP 9 -2.031 -10.597 -17.299 62 HB3 ASP 9 HB3 ASP 9 -1.123 -11.901 -18.059 63 H LYS 10 H LYS 10 1.750 -12.142 -16.917 64 HA LYS 10 HA LYS 10 1.490 -14.945 -16.094 65 HB2 LYS 10 HB2 LYS 10 3.458 -13.632 -17.978 66 HB3 LYS 10 HB3 LYS 10 3.399 -15.351 -17.612 67 HG2 LYS 10 HG2 LYS 10 0.808 -14.523 -18.436 68 HG3 LYS 10 HG3 LYS 10 1.989 -13.924 -19.603 69 HD2 LYS 10 HD2 LYS 10 2.946 -16.238 -19.687 70 HD3 LYS 10 HD3 LYS 10 1.585 -16.772 -18.698 71 HE2 LYS 10 HE2 LYS 10 0.214 -15.522 -20.597 72 HE3 LYS 10 HE3 LYS 10 1.656 -15.901 -21.537 73 HZ1 LYS 10 HZ1 LYS 10 1.367 -18.208 -21.096 74 HZ2 LYS 10 HZ2 LYS 10 0.113 -17.915 -19.999 75 HZ3 LYS 10 HZ3 LYS 10 -0.117 -17.612 -21.647 76 H ASN 11 H ASN 11 2.183 -12.620 -14.329 77 HA ASN 11 HA ASN 11 3.626 -12.095 -12.646 78 HB2 ASN 11 HB2 ASN 11 3.012 -14.620 -12.279 79 HB3 ASN 11 HB3 ASN 11 4.695 -14.894 -12.722 80 HD21 ASN 11 HD21 ASN 11 6.296 -14.365 -11.313 81 HD22 ASN 11 HD22 ASN 11 6.008 -13.817 -9.700 82 H CYS 12 H CYS 12 4.577 -11.928 -15.458 83 HA CYS 12 HA CYS 12 7.458 -12.345 -15.107 84 HB2 CYS 12 HB2 CYS 12 5.643 -12.148 -17.447 85 HB3 CYS 12 HB3 CYS 12 7.266 -11.498 -17.651 86 H ALA 13 H ALA 13 8.891 -10.697 -15.016 87 HA ALA 13 HA ALA 13 8.037 -8.136 -14.251 88 HB1 ALA 13 HB1 ALA 13 10.149 -8.015 -13.586 89 HB2 ALA 13 HB2 ALA 13 10.489 -9.531 -14.420 90 HB3 ALA 13 HB3 ALA 13 10.697 -7.995 -15.262 91 H TYR 14 H TYR 14 7.923 -6.189 -15.315 92 HA TYR 14 HA TYR 14 7.260 -6.260 -18.070 93 HB2 TYR 14 HB2 TYR 14 7.415 -4.198 -15.951 94 HB3 TYR 14 HB3 TYR 14 7.568 -3.616 -17.605 95 HD1 TYR 14 HD1 TYR 14 5.551 -2.534 -18.042 96 HD2 TYR 14 HD2 TYR 14 5.486 -6.402 -16.271 97 HE1 TYR 14 HE1 TYR 14 3.105 -2.603 -18.296 98 HE2 TYR 14 HE2 TYR 14 3.041 -6.482 -16.521 99 HH TYR 14 HH TYR 14 1.307 -5.395 -18.022 100 H PHE 15 H PHE 15 8.925 -6.901 -19.366 101 HA PHE 15 HA PHE 15 11.587 -5.940 -19.119 102 HB2 PHE 15 HB2 PHE 15 10.398 -7.093 -21.636 103 HB3 PHE 15 HB3 PHE 15 12.064 -7.184 -21.076 104 HD1 PHE 15 HD1 PHE 15 9.694 -9.287 -21.825 105 HD2 PHE 15 HD2 PHE 15 11.725 -8.043 -18.297 106 HE1 PHE 15 HE1 PHE 15 9.219 -11.467 -20.787 107 HE2 PHE 15 HE2 PHE 15 11.254 -10.221 -17.254 108 HZ PHE 15 HZ PHE 15 10.000 -11.937 -18.499 109 H CYS 16 H CYS 16 11.121 -3.635 -18.996 110 HA CYS 16 HA CYS 16 10.218 -2.313 -21.410 111 HB2 CYS 16 HB2 CYS 16 10.468 -0.247 -20.135 112 HB3 CYS 16 HB3 CYS 16 9.575 -1.439 -19.196 113 H GLY 17 H GLY 17 11.621 -0.229 -21.943 114 HA2 GLY 17 HA2 GLY 17 14.479 -0.812 -21.892 115 HA3 GLY 17 HA3 GLY 17 13.712 -0.799 -23.474 116 H ARG 18 H ARG 18 12.353 1.347 -21.194 117 HA ARG 18 HA ARG 18 14.082 3.572 -21.828 118 HB2 ARG 18 HB2 ARG 18 11.551 3.106 -23.251 119 HB3 ARG 18 HB3 ARG 18 11.708 4.715 -22.561 120 HG2 ARG 18 HG2 ARG 18 14.070 4.622 -23.709 121 HG3 ARG 18 HG3 ARG 18 13.276 3.416 -24.723 122 HD2 ARG 18 HD2 ARG 18 11.886 6.000 -24.217 123 HD3 ARG 18 HD3 ARG 18 13.238 5.976 -25.348 124 HE ARG 18 HE ARG 18 11.413 3.893 -25.934 125 HH11 ARG 18 HH11 ARG 18 11.817 7.342 -26.183 126 HH12 ARG 18 HH12 ARG 18 10.789 7.493 -27.570 127 HH21 ARG 18 HH21 ARG 18 10.058 4.079 -27.759 128 HH22 ARG 18 HH22 ARG 18 9.789 5.637 -28.465 129 H ASN 19 H ASN 19 13.944 5.189 -20.340 130 HA ASN 19 HA ASN 19 12.752 4.671 -17.862 131 HB2 ASN 19 HB2 ASN 19 13.859 7.204 -19.073 132 HB3 ASN 19 HB3 ASN 19 13.257 7.132 -17.419 133 HD21 ASN 19 HD21 ASN 19 15.969 7.550 -18.638 134 HD22 ASN 19 HD22 ASN 19 16.987 6.417 -17.821 135 H ALA 20 H ALA 20 11.876 7.231 -20.192 136 HA ALA 20 HA ALA 20 9.589 8.157 -18.994 137 HB1 ALA 20 HB1 ALA 20 9.725 7.821 -21.971 138 HB2 ALA 20 HB2 ALA 20 9.013 9.134 -21.033 139 HB3 ALA 20 HB3 ALA 20 10.766 8.967 -21.126 140 H TYR 21 H TYR 21 9.890 5.400 -21.207 141 HA TYR 21 HA TYR 21 7.219 4.753 -21.510 142 HB2 TYR 21 HB2 TYR 21 8.750 3.565 -22.847 143 HB3 TYR 21 HB3 TYR 21 9.706 3.060 -21.459 144 HD1 TYR 21 HD1 TYR 21 9.047 1.154 -20.120 145 HD2 TYR 21 HD2 TYR 21 6.673 2.418 -23.417 146 HE1 TYR 21 HE1 TYR 21 7.818 -0.975 -20.043 147 HE2 TYR 21 HE2 TYR 21 5.437 0.293 -23.348 148 HH TYR 21 HH TYR 21 4.922 -1.482 -21.594 149 H CYS 22 H CYS 22 9.474 3.477 -19.061 150 HA CYS 22 HA CYS 22 7.633 1.925 -17.656 151 HB2 CYS 22 HB2 CYS 22 10.296 3.088 -17.098 152 HB3 CYS 22 HB3 CYS 22 9.340 2.653 -15.686 153 H ASP 23 H ASP 23 8.707 5.256 -16.998 154 HA ASP 23 HA ASP 23 7.244 5.821 -14.754 155 HB2 ASP 23 HB2 ASP 23 8.867 7.346 -15.948 156 HB3 ASP 23 HB3 ASP 23 7.558 7.755 -17.053 157 H GLU 24 H GLU 24 6.120 5.702 -18.086 158 HA GLU 24 HA GLU 24 3.546 6.794 -17.586 159 HB2 GLU 24 HB2 GLU 24 4.667 6.650 -19.832 160 HB3 GLU 24 HB3 GLU 24 4.335 4.924 -19.823 161 HG2 GLU 24 HG2 GLU 24 2.667 6.021 -21.131 162 HG3 GLU 24 HG3 GLU 24 1.921 5.433 -19.647 163 H GLU 25 H GLU 25 4.557 3.432 -18.238 164 HA GLU 25 HA GLU 25 2.093 2.245 -17.670 165 HB2 GLU 25 HB2 GLU 25 4.720 0.888 -17.122 166 HB3 GLU 25 HB3 GLU 25 3.218 0.176 -17.694 167 HG2 GLU 25 HG2 GLU 25 5.238 1.779 -19.203 168 HG3 GLU 25 HG3 GLU 25 4.572 0.189 -19.573 169 H CYS 26 H CYS 26 4.660 3.315 -15.569 170 HA CYS 26 HA CYS 26 3.933 1.886 -13.250 171 HB2 CYS 26 HB2 CYS 26 5.564 4.318 -13.824 172 HB3 CYS 26 HB3 CYS 26 5.080 4.018 -12.158 173 H LYS 27 H LYS 27 3.436 5.363 -13.874 174 HA LYS 27 HA LYS 27 1.661 5.852 -11.813 175 HB2 LYS 27 HB2 LYS 27 2.100 7.141 -14.483 176 HB3 LYS 27 HB3 LYS 27 0.778 7.685 -13.458 177 HG2 LYS 27 HG2 LYS 27 2.256 8.372 -11.750 178 HG3 LYS 27 HG3 LYS 27 3.621 7.538 -12.497 179 HD2 LYS 27 HD2 LYS 27 3.989 9.755 -13.081 180 HD3 LYS 27 HD3 LYS 27 3.173 9.107 -14.506 181 HE2 LYS 27 HE2 LYS 27 1.196 10.209 -14.035 182 HE3 LYS 27 HE3 LYS 27 1.568 10.357 -12.318 183 HZ1 LYS 27 HZ1 LYS 27 3.132 12.063 -12.769 184 HZ2 LYS 27 HZ2 LYS 27 3.042 11.813 -14.440 185 HZ3 LYS 27 HZ3 LYS 27 1.719 12.464 -13.610 186 H LYS 28 H LYS 28 1.019 4.633 -15.058 187 HA LYS 28 HA LYS 28 -1.790 4.775 -14.966 188 HB2 LYS 28 HB2 LYS 28 0.105 3.024 -16.526 189 HB3 LYS 28 HB3 LYS 28 -1.640 2.934 -16.728 190 HG2 LYS 28 HG2 LYS 28 -0.800 5.663 -16.903 191 HG3 LYS 28 HG3 LYS 28 0.164 4.670 -17.999 192 HD2 LYS 28 HD2 LYS 28 -2.843 4.548 -17.868 193 HD3 LYS 28 HD3 LYS 28 -1.963 5.611 -18.969 194 HE2 LYS 28 HE2 LYS 28 -0.755 3.500 -19.752 195 HE3 LYS 28 HE3 LYS 28 -2.015 2.607 -18.901 196 HZ1 LYS 28 HZ1 LYS 28 -3.120 2.775 -20.818 197 HZ2 LYS 28 HZ2 LYS 28 -3.430 4.376 -20.366 198 HZ3 LYS 28 HZ3 LYS 28 -2.141 4.025 -21.404 199 H LYS 29 H LYS 29 0.472 2.565 -13.562 200 HA LYS 29 HA LYS 29 -1.602 0.599 -12.971 201 HB2 LYS 29 HB2 LYS 29 1.260 0.544 -13.246 202 HB3 LYS 29 HB3 LYS 29 0.807 -0.091 -11.670 203 HG2 LYS 29 HG2 LYS 29 -0.253 -1.905 -12.547 204 HG3 LYS 29 HG3 LYS 29 -0.688 -1.068 -14.039 205 HD2 LYS 29 HD2 LYS 29 2.195 -1.556 -13.501 206 HD3 LYS 29 HD3 LYS 29 1.197 -2.933 -13.973 207 HE2 LYS 29 HE2 LYS 29 1.049 -0.396 -15.541 208 HE3 LYS 29 HE3 LYS 29 2.410 -1.489 -15.786 209 HZ1 LYS 29 HZ1 LYS 29 0.515 -3.246 -15.995 210 HZ2 LYS 29 HZ2 LYS 29 -0.432 -1.899 -16.385 211 HZ3 LYS 29 HZ3 LYS 29 0.929 -2.275 -17.317 212 H GLY 30 H GLY 30 -1.501 3.351 -11.783 213 HA2 GLY 30 HA2 GLY 30 -2.186 4.211 -9.754 214 HA3 GLY 30 HA3 GLY 30 -2.176 2.576 -9.109 215 H ALA 31 H ALA 31 0.739 3.477 -10.603 216 HA ALA 31 HA ALA 31 2.081 3.511 -8.033 217 HB1 ALA 31 HB1 ALA 31 3.432 3.842 -10.690 218 HB2 ALA 31 HB2 ALA 31 4.072 3.153 -9.197 219 HB3 ALA 31 HB3 ALA 31 2.868 2.267 -10.133 220 H GLU 32 H GLU 32 3.811 5.135 -7.628 221 HA GLU 32 HA GLU 32 2.748 7.799 -8.118 222 HB2 GLU 32 HB2 GLU 32 3.562 6.878 -5.842 223 HB3 GLU 32 HB3 GLU 32 5.180 7.175 -6.464 224 HG2 GLU 32 HG2 GLU 32 4.804 9.498 -6.614 225 HG3 GLU 32 HG3 GLU 32 3.068 9.306 -6.373 226 H SER 33 H SER 33 5.554 5.847 -8.888 227 HA SER 33 HA SER 33 6.223 7.209 -11.206 228 HB2 SER 33 HB2 SER 33 7.112 8.581 -8.831 229 HB3 SER 33 HB3 SER 33 8.503 8.048 -9.775 230 HG SER 33 HG SER 33 6.518 9.894 -10.406 231 H GLY 34 H GLY 34 8.206 6.453 -12.181 232 HA2 GLY 34 HA2 GLY 34 9.844 4.530 -10.815 233 HA3 GLY 34 HA3 GLY 34 8.708 3.777 -11.925 234 H TYR 35 H TYR 35 10.863 3.065 -12.827 235 HA TYR 35 HA TYR 35 11.434 4.663 -15.145 236 HB2 TYR 35 HB2 TYR 35 13.885 4.806 -14.701 237 HB3 TYR 35 HB3 TYR 35 12.916 5.796 -13.615 238 HD1 TYR 35 HD1 TYR 35 12.946 5.434 -11.270 239 HD2 TYR 35 HD2 TYR 35 14.854 2.658 -13.869 240 HE1 TYR 35 HE1 TYR 35 14.013 4.360 -9.331 241 HE2 TYR 35 HE2 TYR 35 15.925 1.576 -11.937 242 HH TYR 35 HH TYR 35 16.130 2.955 -8.939 243 H CYS 36 H CYS 36 13.629 3.546 -16.149 244 HA CYS 36 HA CYS 36 13.030 0.660 -16.154 245 HB2 CYS 36 HB2 CYS 36 12.610 2.134 -18.264 246 HB3 CYS 36 HB3 CYS 36 14.360 2.066 -18.448 247 H GLN 37 H GLN 37 14.565 -0.572 -15.315 248 HA GLN 37 HA GLN 37 17.371 0.245 -15.633 249 HB2 GLN 37 HB2 GLN 37 16.978 0.799 -13.387 250 HB3 GLN 37 HB3 GLN 37 15.953 -0.606 -13.125 251 HG2 GLN 37 HG2 GLN 37 17.771 -2.058 -12.989 252 HG3 GLN 37 HG3 GLN 37 18.865 -0.904 -13.748 253 HE21 GLN 37 HE21 GLN 37 16.745 -1.139 -10.911 254 HE22 GLN 37 HE22 GLN 37 17.849 -0.393 -9.812 255 H TRP 38 H TRP 38 18.544 -1.271 -16.589 256 HA TRP 38 HA TRP 38 17.456 -3.906 -17.014 257 HB2 TRP 38 HB2 TRP 38 19.687 -4.228 -18.239 258 HB3 TRP 38 HB3 TRP 38 18.576 -3.026 -18.889 259 HD1 TRP 38 HD1 TRP 38 21.747 -3.168 -16.666 260 HE1 TRP 38 HE1 TRP 38 23.065 -0.986 -17.024 261 HE3 TRP 38 HE3 TRP 38 18.478 -0.744 -19.760 262 HZ2 TRP 38 HZ2 TRP 38 22.759 1.441 -18.432 263 HZ3 TRP 38 HZ3 TRP 38 19.065 1.505 -20.567 264 HH2 TRP 38 HH2 TRP 38 21.161 2.573 -19.915 265 H ALA 39 H ALA 39 17.666 -3.787 -14.387 266 HA ALA 39 HA ALA 39 19.927 -5.564 -13.802 267 HB1 ALA 39 HB1 ALA 39 19.093 -3.517 -11.783 268 HB2 ALA 39 HB2 ALA 39 20.600 -4.426 -11.896 269 HB3 ALA 39 HB3 ALA 39 20.271 -3.121 -13.036 270 H GLY 40 H GLY 40 19.606 -6.798 -11.763 271 HA2 GLY 40 HA2 GLY 40 18.042 -7.516 -10.035 272 HA3 GLY 40 HA3 GLY 40 16.740 -7.185 -11.167 273 H GLN 41 H GLN 41 17.155 -9.633 -9.761 274 HA GLN 41 HA GLN 41 18.452 -11.634 -11.163 275 HB2 GLN 41 HB2 GLN 41 17.554 -12.105 -8.999 276 HB3 GLN 41 HB3 GLN 41 15.921 -11.717 -9.524 277 HG2 GLN 41 HG2 GLN 41 16.174 -14.100 -9.318 278 HG3 GLN 41 HG3 GLN 41 15.951 -13.667 -11.012 279 HE21 GLN 41 HE21 GLN 41 17.282 -14.578 -12.397 280 HE22 GLN 41 HE22 GLN 41 18.837 -15.239 -12.034 281 H TYR 42 H TYR 42 15.535 -9.949 -11.941 282 HA TYR 42 HA TYR 42 14.873 -11.881 -14.043 283 HB2 TYR 42 HB2 TYR 42 13.109 -9.577 -13.850 284 HB3 TYR 42 HB3 TYR 42 12.729 -11.292 -13.744 285 HD1 TYR 42 HD1 TYR 42 13.318 -12.443 -11.472 286 HD2 TYR 42 HD2 TYR 42 12.867 -8.242 -11.970 287 HE1 TYR 42 HE1 TYR 42 12.910 -12.207 -9.058 288 HE2 TYR 42 HE2 TYR 42 12.458 -7.994 -9.557 289 HH TYR 42 HH TYR 42 13.102 -10.431 -7.323 290 H GLY 43 H GLY 43 17.215 -10.212 -14.270 291 HA2 GLY 43 HA2 GLY 43 18.269 -8.844 -15.785 292 HA3 GLY 43 HA3 GLY 43 17.058 -9.421 -16.920 293 H ASN 44 H ASN 44 16.205 -7.753 -17.961 294 HA ASN 44 HA ASN 44 16.029 -5.149 -16.717 295 HB2 ASN 44 HB2 ASN 44 16.490 -5.890 -19.267 296 HB3 ASN 44 HB3 ASN 44 14.751 -5.624 -19.351 297 HD21 ASN 44 HD21 ASN 44 14.823 -3.574 -17.269 298 HD22 ASN 44 HD22 ASN 44 15.477 -2.161 -18.019 299 H ALA 45 H ALA 45 14.411 -4.752 -15.359 300 HA ALA 45 HA ALA 45 11.693 -5.529 -16.169 301 HB1 ALA 45 HB1 ALA 45 12.317 -7.121 -14.491 302 HB2 ALA 45 HB2 ALA 45 12.894 -5.841 -13.423 303 HB3 ALA 45 HB3 ALA 45 11.172 -5.984 -13.777 304 H CYS 46 H CYS 46 10.109 -4.039 -15.782 305 HA CYS 46 HA CYS 46 10.869 -1.339 -15.464 306 HB2 CYS 46 HB2 CYS 46 8.798 -2.339 -16.650 307 HB3 CYS 46 HB3 CYS 46 8.059 -2.327 -15.052 308 H TRP 47 H TRP 47 11.165 -0.147 -13.701 309 HA TRP 47 HA TRP 47 10.438 -1.301 -11.105 310 HB2 TRP 47 HB2 TRP 47 12.789 -0.718 -11.362 311 HB3 TRP 47 HB3 TRP 47 12.357 0.930 -11.811 312 HD1 TRP 47 HD1 TRP 47 11.639 2.590 -9.855 313 HE1 TRP 47 HE1 TRP 47 11.926 2.482 -7.300 314 HE3 TRP 47 HE3 TRP 47 12.819 -2.361 -9.380 315 HZ2 TRP 47 HZ2 TRP 47 12.569 0.553 -5.342 316 HZ3 TRP 47 HZ3 TRP 47 13.257 -3.259 -7.132 317 HH2 TRP 47 HH2 TRP 47 13.134 -1.830 -5.156 318 H CYS 48 H CYS 48 9.094 -0.295 -9.689 319 HA CYS 48 HA CYS 48 8.042 2.348 -10.420 320 HB2 CYS 48 HB2 CYS 48 6.452 -0.137 -9.791 321 HB3 CYS 48 HB3 CYS 48 5.766 1.478 -9.648 322 H TYR 49 H TYR 49 6.922 3.432 -8.623 323 HA TYR 49 HA TYR 49 8.059 2.625 -6.026 324 HB2 TYR 49 HB2 TYR 49 7.731 5.303 -7.318 325 HB3 TYR 49 HB3 TYR 49 7.677 5.190 -5.563 326 HD1 TYR 49 HD1 TYR 49 9.785 5.132 -8.502 327 HD2 TYR 49 HD2 TYR 49 9.663 4.320 -4.327 328 HE1 TYR 49 HE1 TYR 49 12.243 5.144 -8.433 329 HE2 TYR 49 HE2 TYR 49 12.121 4.331 -4.247 330 HH TYR 49 HH TYR 49 14.012 5.590 -5.960 331 H LYS 50 H LYS 50 6.783 2.775 -4.188 332 HA LYS 50 HA LYS 50 4.828 2.384 -3.061 333 HB2 LYS 50 HB2 LYS 50 3.965 4.870 -4.548 334 HB3 LYS 50 HB3 LYS 50 3.330 4.287 -3.015 335 HG2 LYS 50 HG2 LYS 50 6.216 4.696 -2.988 336 HG3 LYS 50 HG3 LYS 50 5.295 6.164 -3.322 337 HD2 LYS 50 HD2 LYS 50 5.453 6.137 -0.997 338 HD3 LYS 50 HD3 LYS 50 3.853 5.459 -1.307 339 HE2 LYS 50 HE2 LYS 50 4.938 3.180 -1.185 340 HE3 LYS 50 HE3 LYS 50 6.380 3.994 -0.579 341 HZ1 LYS 50 HZ1 LYS 50 5.277 4.661 1.348 342 HZ2 LYS 50 HZ2 LYS 50 3.742 4.356 0.706 343 HZ3 LYS 50 HZ3 LYS 50 4.758 3.067 1.120 344 H LEU 51 H LEU 51 4.827 0.653 -5.060 345 HA LEU 51 HA LEU 51 2.651 0.885 -6.874 346 HB2 LEU 51 HB2 LEU 51 4.498 -1.284 -6.017 347 HB3 LEU 51 HB3 LEU 51 3.022 -1.732 -6.870 348 HG LEU 51 HG LEU 51 5.234 0.039 -7.904 349 HD11 LEU 51 HD11 LEU 51 4.973 -2.743 -7.859 350 HD12 LEU 51 HD12 LEU 51 4.555 -2.252 -9.501 351 HD13 LEU 51 HD13 LEU 51 6.109 -1.786 -8.809 352 HD21 LEU 51 HD21 LEU 51 2.583 -0.729 -9.112 353 HD22 LEU 51 HD22 LEU 51 3.168 0.894 -8.744 354 HD23 LEU 51 HD23 LEU 51 3.925 -0.046 -10.030 355 HA PRO 52 HA PRO 52 -0.722 -0.157 -4.236 356 HB2 PRO 52 HB2 PRO 52 -2.489 -0.954 -6.136 357 HB3 PRO 52 HB3 PRO 52 -2.070 0.741 -5.865 358 HG2 PRO 52 HG2 PRO 52 -1.045 -1.155 -7.943 359 HG3 PRO 52 HG3 PRO 52 -1.525 0.544 -8.117 360 HD2 PRO 52 HD2 PRO 52 1.064 -0.227 -7.924 361 HD3 PRO 52 HD3 PRO 52 0.480 1.325 -7.290 362 H ASP 53 H ASP 53 -1.344 -1.920 -3.124 363 HA ASP 53 HA ASP 53 -0.143 -4.373 -3.339 364 HB2 ASP 53 HB2 ASP 53 -1.765 -3.335 -1.522 365 HB3 ASP 53 HB3 ASP 53 -2.968 -4.300 -2.373 366 H LYS 54 H LYS 54 -2.847 -3.152 -5.138 367 HA LYS 54 HA LYS 54 -3.902 -5.603 -6.058 368 HB2 LYS 54 HB2 LYS 54 -4.025 -2.771 -7.044 369 HB3 LYS 54 HB3 LYS 54 -4.697 -4.076 -8.013 370 HG2 LYS 54 HG2 LYS 54 -6.401 -4.478 -6.545 371 HG3 LYS 54 HG3 LYS 54 -5.492 -3.881 -5.155 372 HD2 LYS 54 HD2 LYS 54 -7.188 -2.283 -5.577 373 HD3 LYS 54 HD3 LYS 54 -5.685 -1.578 -6.177 374 HE2 LYS 54 HE2 LYS 54 -7.413 -3.147 -8.037 375 HE3 LYS 54 HE3 LYS 54 -7.873 -1.497 -7.619 376 HZ1 LYS 54 HZ1 LYS 54 -5.826 -2.409 -9.381 377 HZ2 LYS 54 HZ2 LYS 54 -6.486 -0.860 -9.212 378 HZ3 LYS 54 HZ3 LYS 54 -5.207 -1.347 -8.218 379 H VAL 55 H VAL 55 -1.402 -3.452 -7.333 380 HA VAL 55 HA VAL 55 -0.956 -5.138 -9.645 381 HB VAL 55 HB VAL 55 0.541 -2.706 -8.659 382 HG11 VAL 55 HG11 VAL 55 2.155 -3.254 -10.082 383 HG12 VAL 55 HG12 VAL 55 1.260 -4.679 -10.609 384 HG13 VAL 55 HG13 VAL 55 0.991 -3.127 -11.401 385 HG21 VAL 55 HG21 VAL 55 -0.595 -1.513 -10.417 386 HG22 VAL 55 HG22 VAL 55 -1.373 -2.995 -10.972 387 HG23 VAL 55 HG23 VAL 55 -1.793 -2.315 -9.401 388 HA PRO 56 HA PRO 56 1.836 -7.696 -7.235 389 HB2 PRO 56 HB2 PRO 56 2.221 -9.533 -9.197 390 HB3 PRO 56 HB3 PRO 56 0.778 -9.505 -8.176 391 HG2 PRO 56 HG2 PRO 56 1.156 -8.449 -10.951 392 HG3 PRO 56 HG3 PRO 56 -0.208 -9.360 -10.277 393 HD2 PRO 56 HD2 PRO 56 -0.269 -6.672 -10.599 394 HD3 PRO 56 HD3 PRO 56 -1.123 -7.494 -9.278 395 H ILE 57 H ILE 57 4.060 -8.268 -7.370 396 HA ILE 57 HA ILE 57 5.553 -6.823 -9.461 397 HB ILE 57 HB ILE 57 7.374 -6.554 -7.755 398 HG12 ILE 57 HG12 ILE 57 5.525 -6.763 -5.500 399 HG13 ILE 57 HG13 ILE 57 5.842 -8.313 -6.271 400 HG21 ILE 57 HG21 ILE 57 5.075 -5.040 -8.199 401 HG22 ILE 57 HG22 ILE 57 5.291 -5.053 -6.449 402 HG23 ILE 57 HG23 ILE 57 6.595 -4.489 -7.494 403 HD11 ILE 57 HD11 ILE 57 8.317 -6.980 -5.978 404 HD12 ILE 57 HD12 ILE 57 7.456 -6.874 -4.442 405 HD13 ILE 57 HD13 ILE 57 7.754 -8.448 -5.180 406 H LYS 58 H LYS 58 7.526 -7.739 -10.158 407 HA LYS 58 HA LYS 58 7.502 -10.564 -10.365 408 HB2 LYS 58 HB2 LYS 58 8.425 -9.194 -12.142 409 HB3 LYS 58 HB3 LYS 58 9.646 -8.547 -11.055 410 HG2 LYS 58 HG2 LYS 58 10.611 -10.215 -12.513 411 HG3 LYS 58 HG3 LYS 58 10.631 -10.780 -10.841 412 HD2 LYS 58 HD2 LYS 58 8.457 -11.982 -11.381 413 HD3 LYS 58 HD3 LYS 58 8.802 -11.629 -13.076 414 HE2 LYS 58 HE2 LYS 58 11.131 -12.686 -12.494 415 HE3 LYS 58 HE3 LYS 58 10.230 -13.434 -11.176 416 HZ1 LYS 58 HZ1 LYS 58 9.830 -13.756 -14.087 417 HZ2 LYS 58 HZ2 LYS 58 10.102 -14.951 -12.921 418 HZ3 LYS 58 HZ3 LYS 58 8.612 -14.153 -12.982 419 H VAL 59 H VAL 59 8.645 -12.121 -9.323 420 HA VAL 59 HA VAL 59 10.695 -11.355 -7.391 421 HB VAL 59 HB VAL 59 9.664 -12.815 -5.642 422 HG11 VAL 59 HG11 VAL 59 7.639 -10.718 -6.111 423 HG12 VAL 59 HG12 VAL 59 8.637 -11.037 -4.693 424 HG13 VAL 59 HG13 VAL 59 9.321 -10.190 -6.080 425 HG21 VAL 59 HG21 VAL 59 7.854 -13.396 -7.750 426 HG22 VAL 59 HG22 VAL 59 7.893 -14.067 -6.119 427 HG23 VAL 59 HG23 VAL 59 6.949 -12.615 -6.453 428 H SER 60 H SER 60 11.962 -13.171 -6.627 429 HA SER 60 HA SER 60 12.812 -14.885 -8.611 430 HB2 SER 60 HB2 SER 60 12.979 -15.449 -5.643 431 HB3 SER 60 HB3 SER 60 14.045 -16.075 -6.900 432 HG SER 60 HG SER 60 15.194 -14.363 -6.541 433 H GLY 61 H GLY 61 11.855 -16.532 -9.591 434 HA2 GLY 61 HA2 GLY 61 10.634 -18.675 -8.188 435 HA3 GLY 61 HA3 GLY 61 9.404 -17.633 -8.887 436 H LYS 62 H LYS 62 8.849 -17.929 -10.956 437 HA LYS 62 HA LYS 62 10.655 -18.972 -12.915 438 HB2 LYS 62 HB2 LYS 62 10.016 -21.038 -11.677 439 HB3 LYS 62 HB3 LYS 62 8.336 -20.731 -12.097 440 HG2 LYS 62 HG2 LYS 62 9.057 -22.310 -13.654 441 HG3 LYS 62 HG3 LYS 62 9.109 -20.775 -14.525 442 HD2 LYS 62 HD2 LYS 62 11.486 -20.625 -14.239 443 HD3 LYS 62 HD3 LYS 62 11.493 -22.029 -13.168 444 HE2 LYS 62 HE2 LYS 62 10.431 -22.278 -15.951 445 HE3 LYS 62 HE3 LYS 62 12.172 -22.288 -15.673 446 HZ1 LYS 62 HZ1 LYS 62 10.209 -24.144 -14.437 447 HZ2 LYS 62 HZ2 LYS 62 11.279 -24.526 -15.691 448 HZ3 LYS 62 HZ3 LYS 62 11.877 -24.149 -14.154 449 H CYS 63 H CYS 63 9.949 -18.597 -14.984 450 HA CYS 63 HA CYS 63 7.186 -17.683 -15.348 451 HB2 CYS 63 HB2 CYS 63 9.376 -15.945 -15.235 452 HB3 CYS 63 HB3 CYS 63 9.026 -16.121 -16.952 453 H ASN 64 H ASN 64 6.546 -17.581 -17.642 454 HA ASN 64 HA ASN 64 7.415 -19.933 -19.019 455 HB2 ASN 64 HB2 ASN 64 5.434 -17.757 -19.679 456 HB3 ASN 64 HB3 ASN 64 5.793 -19.067 -20.800 457 HD21 ASN 64 HD21 ASN 64 3.340 -19.131 -20.303 458 HD22 ASN 64 HD22 ASN 64 2.876 -20.250 -19.071
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