NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
600532 | 2naa | 25933 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 11.870 -1.693 7.995 2 H2 GLY 1 HT2 GLY 1 11.102 -0.241 7.603 3 H3 GLY 1 HT3 GLY 1 10.636 -1.679 6.842 4 HA2 GLY 1 HA1 GLY 1 9.033 -1.035 8.533 5 HA3 GLY 1 HA2 GLY 1 9.811 -2.567 8.914 6 H ALA 2 HN ALA 2 8.705 -1.465 11.001 7 HA ALA 2 HA ALA 2 10.987 -0.377 12.509 8 HB1 ALA 2 HB1 ALA 2 9.365 1.429 12.045 9 HB2 ALA 2 HB2 ALA 2 9.509 1.074 13.767 10 HB3 ALA 2 HB3 ALA 2 8.119 0.484 12.860 11 H MET 3 HN MET 3 9.577 -3.025 12.059 12 HA MET 3 HA MET 3 9.646 -3.968 14.772 13 HB2 MET 3 HB2 MET 3 7.331 -3.068 14.599 14 HB3 MET 3 HB1 MET 3 7.046 -4.126 13.226 15 HG2 MET 3 HG2 MET 3 6.068 -5.097 15.177 16 HG3 MET 3 HG1 MET 3 7.454 -6.072 14.687 17 HE1 MET 3 HE1 MET 3 6.155 -3.316 17.116 18 HE2 MET 3 HE2 MET 3 7.657 -2.583 16.550 19 HE3 MET 3 HE3 MET 3 7.511 -3.114 18.224 20 H GLU 4 HN GLU 4 8.510 -4.610 11.499 21 HA GLU 4 HA GLU 4 10.369 -6.807 11.237 22 HB2 GLU 4 HB2 GLU 4 8.631 -8.375 10.425 23 HB3 GLU 4 HB1 GLU 4 8.425 -7.973 12.123 24 HG2 GLU 4 HG2 GLU 4 6.667 -6.392 11.535 25 HG3 GLU 4 HG1 GLU 4 6.878 -6.793 9.832 26 H ARG 5 HN ARG 5 10.130 -7.690 8.892 27 HA ARG 5 HA ARG 5 9.199 -5.681 7.015 28 HB2 ARG 5 HB2 ARG 5 11.467 -4.928 7.622 29 HB3 ARG 5 HB1 ARG 5 12.105 -6.500 7.170 30 HG2 ARG 5 HG2 ARG 5 11.251 -6.075 4.853 31 HG3 ARG 5 HG1 ARG 5 10.899 -4.424 5.368 32 HD2 ARG 5 HD2 ARG 5 13.064 -4.528 4.268 33 HD3 ARG 5 HD1 ARG 5 13.252 -4.117 5.972 34 HE ARG 5 HE ARG 5 13.499 -6.931 5.341 35 HH11 ARG 5 HH11 ARG 5 15.159 -3.892 5.819 36 HH12 ARG 5 HH12 ARG 5 16.700 -4.634 6.108 37 HH21 ARG 5 HH21 ARG 5 15.517 -7.918 5.750 38 HH22 ARG 5 HH22 ARG 5 16.903 -6.928 6.075 39 H GLU 6 HN GLU 6 7.855 -7.143 6.047 40 HA GLU 6 HA GLU 6 8.502 -9.809 5.451 41 HB2 GLU 6 HB2 GLU 6 6.500 -7.933 4.187 42 HB3 GLU 6 HB1 GLU 6 6.585 -9.655 3.840 43 HG2 GLU 6 HG2 GLU 6 6.097 -10.171 6.157 44 HG3 GLU 6 HG1 GLU 6 6.086 -8.454 6.555 45 H ASP 7 HN ASP 7 9.051 -10.782 3.415 46 HA ASP 7 HA ASP 7 10.846 -9.020 1.906 47 HB2 ASP 7 HB2 ASP 7 10.932 -12.001 2.351 48 HB3 ASP 7 HB1 ASP 7 11.988 -11.153 1.227 49 H GLU 8 HN GLU 8 8.349 -8.730 1.106 50 HA GLU 8 HA GLU 8 8.512 -9.677 -1.621 51 HB2 GLU 8 HB2 GLU 8 7.191 -11.434 -0.529 52 HB3 GLU 8 HB1 GLU 8 6.091 -10.221 0.106 53 HG2 GLU 8 HG2 GLU 8 5.422 -9.632 -2.164 54 HG3 GLU 8 HG1 GLU 8 6.523 -10.852 -2.804 55 H CYS 9 HN CYS 9 7.421 -8.325 -3.069 56 HA CYS 9 HA CYS 9 6.918 -5.669 -2.044 57 HB2 CYS 9 HB2 CYS 9 8.138 -5.861 -4.128 58 HB3 CYS 9 HB1 CYS 9 6.854 -6.846 -4.826 59 H PHE 10 HN PHE 10 4.978 -5.070 -1.356 60 HA PHE 10 HA PHE 10 2.681 -6.692 -1.662 61 HB2 PHE 10 HB2 PHE 10 3.017 -5.272 0.301 62 HB3 PHE 10 HB1 PHE 10 2.928 -3.830 -0.700 63 HD1 PHE 10 HD1 PHE 10 0.914 -2.726 -0.890 64 HD2 PHE 10 HD2 PHE 10 0.925 -6.836 0.220 65 HE1 PHE 10 HE1 PHE 10 -1.515 -2.634 -0.533 66 HE2 PHE 10 HE2 PHE 10 -1.504 -6.748 0.577 67 HZ PHE 10 HZ PHE 10 -2.726 -4.644 0.200 68 H SER 11 HN SER 11 4.028 -4.220 -3.632 69 HA SER 11 HA SER 11 1.604 -3.519 -4.985 70 HB2 SER 11 HB2 SER 11 4.447 -3.153 -5.952 71 HB3 SER 11 HB1 SER 11 3.018 -2.276 -6.496 72 HG SER 11 HG SER 11 3.590 -0.906 -5.012 73 H CYS 12 HN CYS 12 4.303 -5.728 -5.623 74 HA CYS 12 HA CYS 12 3.067 -6.432 -8.191 75 HB2 CYS 12 HB2 CYS 12 5.862 -7.011 -7.191 76 HB3 CYS 12 HB1 CYS 12 5.250 -7.342 -8.812 77 H GLY 13 HN GLY 13 3.840 -7.746 -5.069 78 HA2 GLY 13 HA2 GLY 13 3.241 -9.816 -4.184 79 HA3 GLY 13 HA1 GLY 13 2.653 -10.293 -5.774 80 H ASP 14 HN ASP 14 5.722 -8.929 -5.866 81 HA ASP 14 HA ASP 14 6.991 -11.581 -5.991 82 HB2 ASP 14 HB2 ASP 14 7.496 -9.165 -7.738 83 HB3 ASP 14 HB1 ASP 14 8.471 -10.628 -7.763 84 H ALA 15 HN ALA 15 9.239 -11.633 -5.469 85 HA ALA 15 HA ALA 15 10.042 -9.488 -3.638 86 HB1 ALA 15 HB1 ALA 15 11.592 -11.116 -2.682 87 HB2 ALA 15 HB2 ALA 15 11.059 -12.316 -3.861 88 HB3 ALA 15 HB3 ALA 15 9.931 -11.706 -2.650 89 H GLY 16 HN GLY 16 12.337 -8.854 -3.663 90 HA2 GLY 16 HA2 GLY 16 14.215 -9.399 -5.568 91 HA3 GLY 16 HA1 GLY 16 13.114 -8.283 -6.365 92 H GLN 17 HN GLN 17 14.437 -6.507 -6.503 93 HA GLN 17 HA GLN 17 15.994 -5.568 -4.295 94 HB2 GLN 17 HB2 GLN 17 16.528 -5.138 -6.710 95 HB3 GLN 17 HB1 GLN 17 15.154 -4.043 -6.765 96 HG2 GLN 17 HG2 GLN 17 16.201 -2.654 -5.050 97 HG3 GLN 17 HG1 GLN 17 17.584 -3.746 -5.016 98 HE21 GLN 17 HE21 GLN 17 18.984 -3.807 -6.795 99 HE22 GLN 17 HE22 GLN 17 19.036 -2.526 -7.954 100 H LEU 18 HN LEU 18 14.721 -5.194 -2.532 101 HA LEU 18 HA LEU 18 12.298 -3.595 -2.924 102 HB2 LEU 18 HB2 LEU 18 13.042 -5.466 -0.679 103 HB3 LEU 18 HB1 LEU 18 11.524 -4.600 -0.822 104 HG LEU 18 HG LEU 18 12.415 -6.501 -2.957 105 HD11 LEU 18 HD11 LEU 18 10.821 -7.186 -0.501 106 HD12 LEU 18 HD12 LEU 18 12.446 -7.759 -0.875 107 HD13 LEU 18 HD13 LEU 18 11.084 -8.239 -1.888 108 HD21 LEU 18 HD21 LEU 18 9.723 -5.505 -2.070 109 HD22 LEU 18 HD22 LEU 18 10.023 -6.630 -3.392 110 HD23 LEU 18 HD23 LEU 18 10.612 -4.972 -3.494 111 H VAL 19 HN VAL 19 11.856 -1.835 -1.744 112 HA VAL 19 HA VAL 19 13.844 -0.902 0.218 113 HB VAL 19 HB VAL 19 13.875 0.606 -1.662 114 HG11 VAL 19 HG11 VAL 19 11.770 0.064 -2.714 115 HG12 VAL 19 HG12 VAL 19 11.856 1.801 -2.431 116 HG13 VAL 19 HG13 VAL 19 10.879 0.783 -1.373 117 HG21 VAL 19 HG21 VAL 19 13.133 2.718 -0.614 118 HG22 VAL 19 HG22 VAL 19 14.046 1.687 0.485 119 HG23 VAL 19 HG23 VAL 19 12.291 1.779 0.618 120 H SER 20 HN SER 20 13.081 -0.535 2.256 121 HA SER 20 HA SER 20 10.290 -1.298 2.648 122 HB2 SER 20 HB2 SER 20 12.143 -2.580 3.771 123 HB3 SER 20 HB1 SER 20 12.447 -1.152 4.754 124 HG SER 20 HG SER 20 9.988 -2.576 4.605 125 H CYS 21 HN CYS 21 8.971 -0.292 4.154 126 HA CYS 21 HA CYS 21 9.088 2.572 4.077 127 HB2 CYS 21 HB2 CYS 21 7.027 0.985 3.960 128 HB3 CYS 21 HB1 CYS 21 7.163 0.937 5.716 129 H LYS 22 HN LYS 22 9.566 3.958 5.771 130 HA LYS 22 HA LYS 22 10.790 2.647 8.101 131 HB2 LYS 22 HB2 LYS 22 11.321 5.360 6.876 132 HB3 LYS 22 HB1 LYS 22 12.115 4.737 8.319 133 HG2 LYS 22 HG2 LYS 22 13.128 2.960 7.063 134 HG3 LYS 22 HG1 LYS 22 12.221 3.410 5.618 135 HD2 LYS 22 HD2 LYS 22 13.397 5.545 5.540 136 HD3 LYS 22 HD1 LYS 22 14.285 5.118 7.005 137 HE2 LYS 22 HE2 LYS 22 15.627 4.734 4.992 138 HE3 LYS 22 HE1 LYS 22 15.310 3.234 5.864 139 HZ1 LYS 22 HZ1 LYS 22 15.041 2.993 3.460 140 HZ2 LYS 22 HZ2 LYS 22 13.819 4.160 3.466 141 HZ3 LYS 22 HZ3 LYS 22 13.590 2.691 4.276 142 H LYS 23 HN LYS 23 7.996 3.102 7.904 143 HA LYS 23 HA LYS 23 7.596 5.111 10.014 144 HB2 LYS 23 HB2 LYS 23 6.488 5.542 7.766 145 HB3 LYS 23 HB1 LYS 23 5.509 4.111 8.064 146 HG2 LYS 23 HG2 LYS 23 4.515 5.136 10.004 147 HG3 LYS 23 HG1 LYS 23 5.581 6.534 9.852 148 HD2 LYS 23 HD2 LYS 23 4.562 6.989 7.624 149 HD3 LYS 23 HD1 LYS 23 3.426 5.672 7.919 150 HE2 LYS 23 HE2 LYS 23 2.499 6.822 9.812 151 HE3 LYS 23 HE1 LYS 23 3.734 8.076 9.713 152 HZ1 LYS 23 HZ1 LYS 23 1.628 7.528 7.699 153 HZ2 LYS 23 HZ2 LYS 23 2.846 8.695 7.533 154 HZ3 LYS 23 HZ3 LYS 23 1.680 8.846 8.756 155 HA PRO 24 HA PRO 24 6.643 1.659 12.632 156 HB2 PRO 24 HB2 PRO 24 5.036 2.981 14.439 157 HB3 PRO 24 HB1 PRO 24 6.801 2.981 14.483 158 HG2 PRO 24 HG2 PRO 24 4.927 5.032 13.387 159 HG3 PRO 24 HG1 PRO 24 6.422 5.261 14.313 160 HD2 PRO 24 HD2 PRO 24 6.357 5.604 11.646 161 HD3 PRO 24 HD1 PRO 24 7.777 4.901 12.454 162 H GLY 25 HN GLY 25 5.139 0.099 12.614 163 HA2 GLY 25 HA2 GLY 25 2.940 -0.764 12.611 164 HA3 GLY 25 HA1 GLY 25 2.359 0.789 12.019 165 H CYS 26 HN CYS 26 4.988 0.188 10.184 166 HA CYS 26 HA CYS 26 3.351 -1.136 8.123 167 HB2 CYS 26 HB2 CYS 26 4.152 1.364 7.949 168 HB3 CYS 26 HB1 CYS 26 5.680 0.627 7.472 169 HA PRO 27 HA PRO 27 6.861 -4.005 8.344 170 HB2 PRO 27 HB2 PRO 27 5.465 -6.251 8.106 171 HB3 PRO 27 HB1 PRO 27 5.351 -5.300 9.596 172 HG2 PRO 27 HG2 PRO 27 3.431 -5.488 7.309 173 HG3 PRO 27 HG1 PRO 27 3.097 -5.391 9.052 174 HD2 PRO 27 HD2 PRO 27 3.054 -3.241 7.238 175 HD3 PRO 27 HD1 PRO 27 3.091 -3.118 9.011 176 H LYS 28 HN LYS 28 5.255 -2.743 5.874 177 HA LYS 28 HA LYS 28 5.537 -4.927 3.967 178 HB2 LYS 28 HB2 LYS 28 3.875 -2.530 4.171 179 HB3 LYS 28 HB1 LYS 28 4.556 -2.747 2.555 180 HG2 LYS 28 HG2 LYS 28 2.326 -3.781 2.815 181 HG3 LYS 28 HG1 LYS 28 3.579 -4.943 2.380 182 HD2 LYS 28 HD2 LYS 28 3.723 -5.689 4.695 183 HD3 LYS 28 HD1 LYS 28 2.530 -4.479 5.176 184 HE2 LYS 28 HE2 LYS 28 0.833 -5.560 3.861 185 HE3 LYS 28 HE1 LYS 28 2.010 -6.687 3.189 186 HZ1 LYS 28 HZ1 LYS 28 2.372 -7.519 5.481 187 HZ2 LYS 28 HZ2 LYS 28 0.800 -7.783 4.909 188 HZ3 LYS 28 HZ3 LYS 28 1.094 -6.535 6.008 189 H VAL 29 HN VAL 29 6.494 -4.608 1.888 190 HA VAL 29 HA VAL 29 8.538 -2.527 1.718 191 HB VAL 29 HB VAL 29 9.440 -4.711 2.731 192 HG11 VAL 29 HG11 VAL 29 9.164 -5.597 -0.123 193 HG12 VAL 29 HG12 VAL 29 8.331 -6.275 1.274 194 HG13 VAL 29 HG13 VAL 29 10.082 -6.433 1.127 195 HG21 VAL 29 HG21 VAL 29 10.986 -3.100 2.056 196 HG22 VAL 29 HG22 VAL 29 10.660 -3.380 0.350 197 HG23 VAL 29 HG23 VAL 29 11.511 -4.602 1.297 198 H TYR 30 HN TYR 30 9.356 -2.291 -0.518 199 HA TYR 30 HA TYR 30 7.586 -3.363 -2.596 200 HB2 TYR 30 HB2 TYR 30 7.939 -0.386 -2.178 201 HB3 TYR 30 HB1 TYR 30 6.922 -1.167 -3.383 202 HD1 TYR 30 HD1 TYR 30 4.751 -2.074 -2.768 203 HD2 TYR 30 HD2 TYR 30 7.238 -0.232 0.150 204 HE1 TYR 30 HE1 TYR 30 2.842 -1.942 -1.227 205 HE2 TYR 30 HE2 TYR 30 5.338 -0.109 1.700 206 HH TYR 30 HH TYR 30 2.811 -0.056 1.521 207 H HIS 31 HN HIS 31 8.336 -2.610 -4.796 208 HA HIS 31 HA HIS 31 11.245 -2.334 -4.884 209 HB2 HIS 31 HB2 HIS 31 9.312 -2.486 -7.220 210 HB3 HIS 31 HB1 HIS 31 11.065 -2.637 -7.296 211 HD2 HIS 31 HD2 HIS 31 11.881 -5.012 -5.611 212 HE1 HIS 31 HE1 HIS 31 8.430 -7.044 -7.000 213 HE2 HIS 31 HE2 HIS 31 10.805 -7.325 -6.129 214 H ALA 32 HN ALA 32 12.258 -0.506 -5.616 215 HA ALA 32 HA ALA 32 10.907 1.954 -5.390 216 HB1 ALA 32 HB1 ALA 32 13.282 1.724 -4.919 217 HB2 ALA 32 HB2 ALA 32 13.008 2.951 -6.155 218 HB3 ALA 32 HB3 ALA 32 13.592 1.352 -6.614 219 H ASP 33 HN ASP 33 11.610 -0.160 -8.045 220 HA ASP 33 HA ASP 33 11.217 1.670 -10.161 221 HB2 ASP 33 HB2 ASP 33 12.393 -0.473 -10.448 222 HB3 ASP 33 HB1 ASP 33 10.882 -1.334 -10.179 223 H CYS 34 HN CYS 34 8.973 -0.655 -8.625 224 HA CYS 34 HA CYS 34 6.841 -0.017 -10.416 225 HB2 CYS 34 HB2 CYS 34 5.455 -1.254 -8.601 226 HB3 CYS 34 HB1 CYS 34 6.672 -2.172 -9.481 227 H LEU 35 HN LEU 35 8.052 1.371 -7.528 228 HA LEU 35 HA LEU 35 5.643 2.855 -6.931 229 HB2 LEU 35 HB2 LEU 35 8.431 3.069 -5.818 230 HB3 LEU 35 HB1 LEU 35 7.029 3.913 -5.195 231 HG LEU 35 HG LEU 35 7.356 0.916 -5.226 232 HD11 LEU 35 HD11 LEU 35 8.937 1.742 -3.706 233 HD12 LEU 35 HD12 LEU 35 7.529 1.328 -2.725 234 HD13 LEU 35 HD13 LEU 35 7.849 3.008 -3.141 235 HD21 LEU 35 HD21 LEU 35 5.304 2.687 -3.907 236 HD22 LEU 35 HD22 LEU 35 5.433 0.942 -3.711 237 HD23 LEU 35 HD23 LEU 35 5.019 1.625 -5.282 238 H ASN 36 HN ASN 36 8.019 3.146 -9.195 239 HA ASN 36 HA ASN 36 8.693 4.766 -10.624 240 HB2 ASN 36 HB2 ASN 36 6.233 5.274 -10.705 241 HB3 ASN 36 HB1 ASN 36 6.491 6.467 -9.440 242 HD21 ASN 36 HD21 ASN 36 8.651 5.807 -12.153 243 HD22 ASN 36 HD22 ASN 36 8.467 7.356 -12.897 244 H LEU 37 HN LEU 37 9.950 4.503 -8.107 245 HA LEU 37 HA LEU 37 10.473 7.170 -7.122 246 HB2 LEU 37 HB2 LEU 37 11.608 4.481 -6.397 247 HB3 LEU 37 HB1 LEU 37 12.155 5.976 -5.667 248 HG LEU 37 HG LEU 37 9.385 4.789 -5.464 249 HD11 LEU 37 HD11 LEU 37 11.482 5.248 -3.350 250 HD12 LEU 37 HD12 LEU 37 11.146 3.695 -4.109 251 HD13 LEU 37 HD13 LEU 37 9.907 4.484 -3.133 252 HD21 LEU 37 HD21 LEU 37 9.235 7.206 -5.547 253 HD22 LEU 37 HD22 LEU 37 10.488 7.347 -4.314 254 HD23 LEU 37 HD23 LEU 37 8.927 6.632 -3.910 255 H THR 38 HN THR 38 11.190 7.843 -9.329 256 HA THR 38 HA THR 38 13.721 7.063 -10.318 257 HB THR 38 HB THR 38 12.361 9.754 -10.607 258 HG1 THR 38 HG1 THR 38 12.125 7.350 -12.135 259 HG21 THR 38 HG21 THR 38 13.610 9.896 -12.707 260 HG22 THR 38 HG22 THR 38 14.377 8.346 -12.362 261 HG23 THR 38 HG23 THR 38 14.701 9.739 -11.331 262 H LYS 39 HN LYS 39 12.650 9.566 -8.076 263 HA LYS 39 HA LYS 39 15.362 10.334 -7.408 264 HB2 LYS 39 HB2 LYS 39 13.595 12.034 -7.417 265 HB3 LYS 39 HB1 LYS 39 12.690 11.118 -6.221 266 HG2 LYS 39 HG2 LYS 39 14.706 11.414 -4.697 267 HG3 LYS 39 HG1 LYS 39 15.270 12.610 -5.866 268 HD2 LYS 39 HD2 LYS 39 12.638 12.681 -4.387 269 HD3 LYS 39 HD1 LYS 39 14.052 13.669 -4.026 270 HE2 LYS 39 HE2 LYS 39 12.558 13.708 -6.644 271 HE3 LYS 39 HE1 LYS 39 12.298 14.850 -5.331 272 HZ1 LYS 39 HZ1 LYS 39 14.557 15.606 -5.553 273 HZ2 LYS 39 HZ2 LYS 39 13.785 15.710 -7.052 274 HZ3 LYS 39 HZ3 LYS 39 14.875 14.457 -6.751 275 H ARG 40 HN ARG 40 16.511 9.448 -5.755 276 HA ARG 40 HA ARG 40 15.372 7.223 -4.325 277 HB2 ARG 40 HB2 ARG 40 17.661 7.021 -5.025 278 HB3 ARG 40 HB1 ARG 40 18.097 8.520 -4.217 279 HG2 ARG 40 HG2 ARG 40 17.741 7.519 -2.057 280 HG3 ARG 40 HG1 ARG 40 17.136 6.040 -2.804 281 HD2 ARG 40 HD2 ARG 40 19.911 7.114 -3.261 282 HD3 ARG 40 HD1 ARG 40 19.519 5.951 -1.996 283 HE ARG 40 HE ARG 40 18.537 4.877 -4.335 284 HH11 ARG 40 HH11 ARG 40 21.665 5.888 -3.147 285 HH12 ARG 40 HH12 ARG 40 22.542 4.710 -4.072 286 HH21 ARG 40 HH21 ARG 40 19.687 3.309 -5.550 287 HH22 ARG 40 HH22 ARG 40 21.417 3.245 -5.437 288 HA PRO 41 HA PRO 41 13.783 9.884 -1.048 289 HB2 PRO 41 HB2 PRO 41 13.411 7.253 0.253 290 HB3 PRO 41 HB1 PRO 41 12.247 8.552 -0.014 291 HG2 PRO 41 HG2 PRO 41 12.179 6.292 -1.448 292 HG3 PRO 41 HG1 PRO 41 11.761 7.866 -2.155 293 HD2 PRO 41 HD2 PRO 41 14.248 6.242 -2.490 294 HD3 PRO 41 HD1 PRO 41 13.419 7.300 -3.653 295 H ALA 42 HN ALA 42 14.889 10.784 0.561 296 HA ALA 42 HA ALA 42 17.101 9.262 1.756 297 HB1 ALA 42 HB1 ALA 42 18.174 11.411 2.190 298 HB2 ALA 42 HB2 ALA 42 16.798 12.249 1.474 299 HB3 ALA 42 HB3 ALA 42 17.818 11.216 0.475 300 H GLY 43 HN GLY 43 17.020 8.843 3.886 301 HA2 GLY 43 HA2 GLY 43 16.498 9.132 6.133 302 HA3 GLY 43 HA1 GLY 43 15.609 10.588 5.708 303 H LYS 44 HN LYS 44 13.762 10.187 6.816 304 HA LYS 44 HA LYS 44 12.440 7.684 6.855 305 HB2 LYS 44 HB2 LYS 44 11.548 10.475 7.547 306 HB3 LYS 44 HB1 LYS 44 10.470 9.094 7.664 307 HG2 LYS 44 HG2 LYS 44 13.089 9.354 9.118 308 HG3 LYS 44 HG1 LYS 44 11.506 9.710 9.813 309 HD2 LYS 44 HD2 LYS 44 10.855 7.338 9.199 310 HD3 LYS 44 HD1 LYS 44 12.564 7.055 8.866 311 HE2 LYS 44 HE2 LYS 44 13.132 7.611 11.156 312 HE3 LYS 44 HE1 LYS 44 11.450 8.014 11.500 313 HZ1 LYS 44 HZ1 LYS 44 11.907 5.832 12.311 314 HZ2 LYS 44 HZ2 LYS 44 12.535 5.337 10.822 315 HZ3 LYS 44 HZ3 LYS 44 10.887 5.683 10.969 316 H TRP 45 HN TRP 45 11.549 6.759 5.173 317 HA TRP 45 HA TRP 45 10.082 8.423 3.262 318 HB2 TRP 45 HB2 TRP 45 11.840 7.276 2.111 319 HB3 TRP 45 HB1 TRP 45 11.450 5.756 2.908 320 HD1 TRP 45 HD1 TRP 45 9.838 8.196 0.360 321 HE1 TRP 45 HE1 TRP 45 8.372 6.821 -1.238 322 HE3 TRP 45 HE3 TRP 45 10.398 3.596 2.514 323 HZ2 TRP 45 HZ2 TRP 45 7.566 4.135 -1.552 324 HZ3 TRP 45 HZ3 TRP 45 9.248 1.670 1.496 325 HH2 TRP 45 HH2 TRP 45 7.859 1.938 -0.492 326 H GLU 46 HN GLU 46 7.963 8.172 3.109 327 HA GLU 46 HA GLU 46 6.712 5.925 4.527 328 HB2 GLU 46 HB2 GLU 46 5.592 8.607 3.679 329 HB3 GLU 46 HB1 GLU 46 4.663 7.343 4.474 330 HG2 GLU 46 HG2 GLU 46 6.017 7.520 6.450 331 HG3 GLU 46 HG1 GLU 46 7.091 8.668 5.655 332 H CYS 47 HN CYS 47 5.719 4.392 3.358 333 HA CYS 47 HA CYS 47 5.856 4.372 0.538 334 HB2 CYS 47 HB2 CYS 47 4.763 2.247 0.632 335 HB3 CYS 47 HB1 CYS 47 5.824 2.336 2.031 336 HA PRO 48 HA PRO 48 2.183 6.494 -0.686 337 HB2 PRO 48 HB2 PRO 48 1.585 5.174 -2.995 338 HB3 PRO 48 HB1 PRO 48 2.909 6.340 -2.856 339 HG2 PRO 48 HG2 PRO 48 2.993 3.350 -2.753 340 HG3 PRO 48 HG1 PRO 48 4.080 4.474 -3.590 341 HD2 PRO 48 HD2 PRO 48 4.729 3.332 -1.231 342 HD3 PRO 48 HD1 PRO 48 5.252 4.976 -1.655 343 H TRP 49 HN TRP 49 2.166 3.331 0.352 344 HA TRP 49 HA TRP 49 -0.633 2.754 -0.001 345 HB2 TRP 49 HB2 TRP 49 1.241 1.041 0.321 346 HB3 TRP 49 HB1 TRP 49 1.274 1.532 2.013 347 HD1 TRP 49 HD1 TRP 49 -1.841 0.747 -0.179 348 HE1 TRP 49 HE1 TRP 49 -3.156 -1.149 0.969 349 HE3 TRP 49 HE3 TRP 49 1.314 -0.179 3.752 350 HZ2 TRP 49 HZ2 TRP 49 -2.904 -2.795 3.243 351 HZ3 TRP 49 HZ3 TRP 49 0.696 -1.927 5.368 352 HH2 TRP 49 HH2 TRP 49 -1.372 -3.212 5.113 353 H HIS 50 HN HIS 50 0.972 5.011 1.730 354 HA HIS 50 HA HIS 50 -1.100 5.136 3.812 355 HB2 HIS 50 HB2 HIS 50 1.492 6.696 3.628 356 HB3 HIS 50 HB1 HIS 50 0.346 6.726 4.971 357 HD1 HIS 50 HD1 HIS 50 0.100 3.442 4.905 358 HD2 HIS 50 HD2 HIS 50 3.509 5.790 5.261 359 HE1 HIS 50 HE1 HIS 50 1.844 2.005 6.058 360 H GLN 51 HN GLN 51 -0.748 6.046 0.783 361 HA GLN 51 HA GLN 51 -1.795 8.766 1.196 362 HB2 GLN 51 HB2 GLN 51 -0.173 7.818 -1.175 363 HB3 GLN 51 HB1 GLN 51 -0.790 9.442 -0.912 364 HG2 GLN 51 HG2 GLN 51 1.241 8.044 0.798 365 HG3 GLN 51 HG1 GLN 51 1.589 9.274 -0.412 366 HE21 GLN 51 HE21 GLN 51 2.186 9.300 2.415 367 HE22 GLN 51 HE22 GLN 51 1.378 10.672 3.086 368 H CYS 52 HN CYS 52 -3.563 9.356 0.083 369 HA CYS 52 HA CYS 52 -5.320 7.315 -0.783 370 HB2 CYS 52 HB2 CYS 52 -6.098 9.396 0.249 371 HB3 CYS 52 HB1 CYS 52 -5.485 10.314 -1.118 372 H ASP 53 HN ASP 53 -5.398 6.344 -2.659 373 HA ASP 53 HA ASP 53 -3.703 6.893 -4.817 374 HB2 ASP 53 HB2 ASP 53 -4.810 4.692 -4.308 375 HB3 ASP 53 HB1 ASP 53 -6.314 5.356 -4.934 376 H VAL 54 HN VAL 54 -6.744 8.271 -3.976 377 HA VAL 54 HA VAL 54 -7.334 9.104 -6.689 378 HB VAL 54 HB VAL 54 -8.829 9.700 -4.136 379 HG11 VAL 54 HG11 VAL 54 -9.587 10.156 -7.017 380 HG12 VAL 54 HG12 VAL 54 -9.254 11.397 -5.806 381 HG13 VAL 54 HG13 VAL 54 -10.666 10.352 -5.635 382 HG21 VAL 54 HG21 VAL 54 -10.445 8.046 -4.983 383 HG22 VAL 54 HG22 VAL 54 -8.867 7.333 -4.648 384 HG23 VAL 54 HG23 VAL 54 -9.344 7.677 -6.310 385 H CYS 55 HN CYS 55 -6.621 10.751 -3.568 386 HA CYS 55 HA CYS 55 -6.244 13.183 -5.179 387 HB2 CYS 55 HB2 CYS 55 -6.882 14.508 -3.242 388 HB3 CYS 55 HB1 CYS 55 -8.136 13.349 -3.662 389 H GLY 56 HN GLY 56 -4.490 10.959 -3.374 390 HA2 GLY 56 HA2 GLY 56 -2.201 10.964 -3.039 391 HA3 GLY 56 HA1 GLY 56 -2.159 12.634 -3.588 392 H LYS 57 HN LYS 57 -4.466 12.594 -1.250 393 HA LYS 57 HA LYS 57 -2.674 13.713 0.715 394 HB2 LYS 57 HB2 LYS 57 -5.649 13.218 0.895 395 HB3 LYS 57 HB1 LYS 57 -4.694 14.192 2.004 396 HG2 LYS 57 HG2 LYS 57 -4.191 15.764 0.227 397 HG3 LYS 57 HG1 LYS 57 -5.101 14.779 -0.920 398 HD2 LYS 57 HD2 LYS 57 -7.128 15.119 0.454 399 HD3 LYS 57 HD1 LYS 57 -6.200 16.179 1.517 400 HE2 LYS 57 HE2 LYS 57 -6.658 16.619 -1.432 401 HE3 LYS 57 HE1 LYS 57 -7.522 17.438 -0.133 402 HZ1 LYS 57 HZ1 LYS 57 -5.409 18.368 0.613 403 HZ2 LYS 57 HZ2 LYS 57 -5.750 18.816 -0.979 404 HZ3 LYS 57 HZ3 LYS 57 -4.606 17.613 -0.668 405 H GLU 58 HN GLU 58 -3.357 13.006 3.128 406 HA GLU 58 HA GLU 58 -2.216 10.455 3.426 407 HB2 GLU 58 HB2 GLU 58 -2.065 12.265 5.124 408 HB3 GLU 58 HB1 GLU 58 -3.765 12.011 5.501 409 HG2 GLU 58 HG2 GLU 58 -3.274 9.718 6.181 410 HG3 GLU 58 HG1 GLU 58 -1.572 9.974 5.804 411 H ALA 59 HN ALA 59 -3.057 8.494 3.546 412 HA ALA 59 HA ALA 59 -5.873 8.144 3.026 413 HB1 ALA 59 HB1 ALA 59 -4.275 6.793 1.820 414 HB2 ALA 59 HB2 ALA 59 -5.286 5.766 2.838 415 HB3 ALA 59 HB3 ALA 59 -3.637 6.149 3.336 416 H ALA 60 HN ALA 60 -7.323 7.011 4.304 417 HA ALA 60 HA ALA 60 -6.550 6.716 7.130 418 HB1 ALA 60 HB1 ALA 60 -9.282 7.200 5.947 419 HB2 ALA 60 HB2 ALA 60 -8.274 8.401 6.754 420 HB3 ALA 60 HB3 ALA 60 -8.915 7.033 7.664 421 H SER 61 HN SER 61 -8.031 5.193 4.355 422 HA SER 61 HA SER 61 -8.110 2.667 5.857 423 HB2 SER 61 HB2 SER 61 -9.807 1.938 4.174 424 HB3 SER 61 HB1 SER 61 -10.346 3.297 5.157 425 HG SER 61 HG SER 61 -10.549 3.310 2.695 426 H PHE 62 HN PHE 62 -7.330 0.798 4.770 427 HA PHE 62 HA PHE 62 -5.491 1.436 2.560 428 HB2 PHE 62 HB2 PHE 62 -4.872 -0.563 4.739 429 HB3 PHE 62 HB1 PHE 62 -3.752 0.195 3.600 430 HD1 PHE 62 HD1 PHE 62 -5.204 0.334 6.851 431 HD2 PHE 62 HD2 PHE 62 -3.363 2.720 3.847 432 HE1 PHE 62 HE1 PHE 62 -4.731 2.071 8.526 433 HE2 PHE 62 HE2 PHE 62 -2.888 4.458 5.518 434 HZ PHE 62 HZ PHE 62 -3.568 4.136 7.860 435 H CYS 63 HN CYS 63 -6.072 0.297 0.789 436 HA CYS 63 HA CYS 63 -7.664 -2.047 0.904 437 HB2 CYS 63 HB2 CYS 63 -7.462 -0.501 -1.104 438 HB3 CYS 63 HB1 CYS 63 -5.896 -1.246 -1.415 439 H GLU 64 HN GLU 64 -7.098 -4.129 1.116 440 HA GLU 64 HA GLU 64 -4.343 -4.586 1.912 441 HB2 GLU 64 HB2 GLU 64 -6.833 -6.281 2.147 442 HB3 GLU 64 HB1 GLU 64 -5.246 -6.808 2.692 443 HG2 GLU 64 HG2 GLU 64 -5.161 -4.960 4.280 444 HG3 GLU 64 HG1 GLU 64 -6.726 -4.384 3.708 445 H MET 65 HN MET 65 -5.547 -4.528 -1.009 446 HA MET 65 HA MET 65 -3.994 -6.894 -1.816 447 HB2 MET 65 HB2 MET 65 -6.545 -5.940 -3.129 448 HB3 MET 65 HB1 MET 65 -5.526 -7.265 -3.697 449 HG2 MET 65 HG2 MET 65 -5.982 -8.509 -1.650 450 HG3 MET 65 HG1 MET 65 -6.984 -7.185 -1.060 451 HE1 MET 65 HE1 MET 65 -6.561 -9.961 -3.780 452 HE2 MET 65 HE2 MET 65 -6.793 -8.529 -4.785 453 HE3 MET 65 HE3 MET 65 -8.034 -9.781 -4.731 454 H CYS 66 HN CYS 66 -3.980 -3.632 -1.873 455 HA CYS 66 HA CYS 66 -2.100 -3.553 -4.011 456 HB2 CYS 66 HB2 CYS 66 -3.259 -2.135 -5.551 457 HB3 CYS 66 HB1 CYS 66 -4.333 -3.487 -5.217 458 HA PRO 67 HA PRO 67 -0.779 -0.012 -1.651 459 HB2 PRO 67 HB2 PRO 67 0.228 1.255 -4.107 460 HB3 PRO 67 HB1 PRO 67 1.129 0.638 -2.718 461 HG2 PRO 67 HG2 PRO 67 1.208 -0.597 -5.092 462 HG3 PRO 67 HG1 PRO 67 1.231 -1.504 -3.568 463 HD2 PRO 67 HD2 PRO 67 -1.089 -0.989 -5.419 464 HD3 PRO 67 HD1 PRO 67 -0.589 -2.512 -4.637 465 H SER 68 HN SER 68 -3.364 0.126 -3.571 466 HA SER 68 HA SER 68 -3.617 3.017 -3.694 467 HB2 SER 68 HB2 SER 68 -5.524 0.819 -4.532 468 HB3 SER 68 HB1 SER 68 -5.803 2.543 -4.768 469 HG SER 68 HG SER 68 -4.112 2.636 -6.192 470 H SER 69 HN SER 69 -3.605 3.495 -1.496 471 HA SER 69 HA SER 69 -5.842 2.556 0.123 472 HB2 SER 69 HB2 SER 69 -4.667 4.120 1.830 473 HB3 SER 69 HB1 SER 69 -3.845 2.625 1.380 474 HG SER 69 HG SER 69 -3.358 5.046 -0.005 475 H PHE 70 HN PHE 70 -7.092 4.369 1.357 476 HA PHE 70 HA PHE 70 -7.490 6.631 -0.486 477 HB2 PHE 70 HB2 PHE 70 -9.721 4.938 0.659 478 HB3 PHE 70 HB1 PHE 70 -9.913 6.354 -0.377 479 HD1 PHE 70 HD1 PHE 70 -9.009 6.239 -2.737 480 HD2 PHE 70 HD2 PHE 70 -9.437 2.818 -0.249 481 HE1 PHE 70 HE1 PHE 70 -8.937 4.790 -4.725 482 HE2 PHE 70 HE2 PHE 70 -9.365 1.361 -2.229 483 HZ PHE 70 HZ PHE 70 -9.115 2.347 -4.473 484 H CYS 71 HN CYS 71 -8.352 8.497 0.405 485 HA CYS 71 HA CYS 71 -7.887 8.876 3.217 486 HB2 CYS 71 HB2 CYS 71 -8.404 11.203 2.804 487 HB3 CYS 71 HB1 CYS 71 -7.391 10.623 1.486 488 H LYS 72 HN LYS 72 -9.737 10.302 4.351 489 HA LYS 72 HA LYS 72 -11.823 8.504 4.863 490 HB2 LYS 72 HB2 LYS 72 -11.627 11.450 5.478 491 HB3 LYS 72 HB1 LYS 72 -12.854 10.374 6.137 492 HG2 LYS 72 HG2 LYS 72 -11.105 9.028 7.190 493 HG3 LYS 72 HG1 LYS 72 -9.883 10.118 6.539 494 HD2 LYS 72 HD2 LYS 72 -10.880 11.968 7.812 495 HD3 LYS 72 HD1 LYS 72 -12.060 10.842 8.490 496 HE2 LYS 72 HE2 LYS 72 -10.242 9.540 9.478 497 HE3 LYS 72 HE1 LYS 72 -9.069 10.666 8.803 498 HZ1 LYS 72 HZ1 LYS 72 -10.019 12.418 10.153 499 HZ2 LYS 72 HZ2 LYS 72 -9.526 11.132 11.128 500 HZ3 LYS 72 HZ3 LYS 72 -11.168 11.351 10.787 501 H GLN 73 HN GLN 73 -11.576 11.109 2.572 502 HA GLN 73 HA GLN 73 -14.402 11.201 2.025 503 HB2 GLN 73 HB2 GLN 73 -11.992 12.583 0.969 504 HB3 GLN 73 HB1 GLN 73 -13.446 12.569 -0.020 505 HG2 GLN 73 HG2 GLN 73 -13.336 13.535 2.832 506 HG3 GLN 73 HG1 GLN 73 -13.215 14.577 1.414 507 HE21 GLN 73 HE21 GLN 73 -15.309 12.516 3.289 508 HE22 GLN 73 HE22 GLN 73 -16.793 13.057 2.591 509 H HIS 74 HN HIS 74 -11.564 9.779 0.475 510 HA HIS 74 HA HIS 74 -13.276 8.941 -1.749 511 HB2 HIS 74 HB2 HIS 74 -10.260 8.985 -1.498 512 HB3 HIS 74 HB1 HIS 74 -11.134 8.376 -2.909 513 HD2 HIS 74 HD2 HIS 74 -13.309 10.766 -3.189 514 HE1 HIS 74 HE1 HIS 74 -9.912 13.267 -3.383 515 HE2 HIS 74 HE2 HIS 74 -12.432 13.164 -3.642 516 H ARG 75 HN ARG 75 -12.858 7.649 1.061 517 HA ARG 75 HA ARG 75 -12.201 4.959 0.138 518 HB2 ARG 75 HB2 ARG 75 -12.270 4.288 2.465 519 HB3 ARG 75 HB1 ARG 75 -11.228 5.685 2.263 520 HG2 ARG 75 HG2 ARG 75 -13.062 7.120 3.079 521 HG3 ARG 75 HG1 ARG 75 -14.026 5.670 3.366 522 HD2 ARG 75 HD2 ARG 75 -12.317 4.846 4.911 523 HD3 ARG 75 HD1 ARG 75 -11.351 6.289 4.623 524 HE ARG 75 HE ARG 75 -13.901 7.074 5.480 525 HH11 ARG 75 HH11 ARG 75 -11.073 5.438 6.725 526 HH12 ARG 75 HH12 ARG 75 -11.330 5.955 8.358 527 HH21 ARG 75 HH21 ARG 75 -14.254 7.753 7.637 528 HH22 ARG 75 HH22 ARG 75 -13.131 7.279 8.876 529 H GLU 76 HN GLU 76 -14.930 6.905 0.975 530 HA GLU 76 HA GLU 76 -16.710 4.804 1.616 531 HB2 GLU 76 HB2 GLU 76 -17.174 7.642 0.729 532 HB3 GLU 76 HB1 GLU 76 -18.485 6.544 1.141 533 HG2 GLU 76 HG2 GLU 76 -17.475 6.273 3.389 534 HG3 GLU 76 HG1 GLU 76 -16.282 7.495 2.959 535 H GLY 77 HN GLY 77 -17.648 3.378 0.336 536 HA2 GLY 77 HA2 GLY 77 -18.680 2.484 -1.519 537 HA3 GLY 77 HA1 GLY 77 -18.549 4.052 -2.303 538 H MET 78 HN MET 78 -15.518 3.703 -1.488 539 HA MET 78 HA MET 78 -14.852 2.482 -4.066 540 HB2 MET 78 HB2 MET 78 -13.140 4.155 -2.205 541 HB3 MET 78 HB1 MET 78 -12.645 3.557 -3.783 542 HG2 MET 78 HG2 MET 78 -14.909 5.489 -3.277 543 HG3 MET 78 HG1 MET 78 -13.299 5.920 -3.851 544 HE1 MET 78 HE1 MET 78 -14.531 7.225 -5.878 545 HE2 MET 78 HE2 MET 78 -16.095 6.690 -5.264 546 HE3 MET 78 HE3 MET 78 -15.683 6.444 -6.960 547 H LEU 79 HN LEU 79 -14.246 2.141 -0.623 548 HA LEU 79 HA LEU 79 -12.760 -0.336 -1.196 549 HB2 LEU 79 HB2 LEU 79 -11.583 1.555 0.038 550 HB3 LEU 79 HB1 LEU 79 -12.701 1.268 1.359 551 HG LEU 79 HG LEU 79 -11.817 -1.028 1.588 552 HD11 LEU 79 HD11 LEU 79 -9.867 -0.144 -0.531 553 HD12 LEU 79 HD12 LEU 79 -11.062 -1.429 -0.674 554 HD13 LEU 79 HD13 LEU 79 -9.714 -1.603 0.445 555 HD21 LEU 79 HD21 LEU 79 -9.812 1.216 1.713 556 HD22 LEU 79 HD22 LEU 79 -9.598 -0.359 2.475 557 HD23 LEU 79 HD23 LEU 79 -10.915 0.697 2.989 558 H PHE 80 HN PHE 80 -13.439 -2.224 -0.224 559 HA PHE 80 HA PHE 80 -15.530 -2.156 1.795 560 HB2 PHE 80 HB2 PHE 80 -16.955 -3.747 0.500 561 HB3 PHE 80 HB1 PHE 80 -16.843 -2.164 -0.253 562 HD1 PHE 80 HD1 PHE 80 -15.761 -1.872 -2.388 563 HD2 PHE 80 HD2 PHE 80 -15.841 -5.690 -0.494 564 HE1 PHE 80 HE1 PHE 80 -15.032 -2.932 -4.477 565 HE2 PHE 80 HE2 PHE 80 -15.114 -6.743 -2.591 566 HZ PHE 80 HZ PHE 80 -14.706 -5.362 -4.585 567 H ILE 81 HN ILE 81 -15.966 -4.413 2.611 568 HA ILE 81 HA ILE 81 -13.445 -5.802 2.918 569 HB ILE 81 HB ILE 81 -16.157 -6.259 4.150 570 HG12 ILE 81 HG12 ILE 81 -14.812 -4.276 4.893 571 HG13 ILE 81 HG11 ILE 81 -15.168 -5.428 6.171 572 HG21 ILE 81 HG21 ILE 81 -15.088 -8.406 3.930 573 HG22 ILE 81 HG22 ILE 81 -15.042 -7.896 5.618 574 HG23 ILE 81 HG23 ILE 81 -13.596 -7.767 4.617 575 HD11 ILE 81 HD11 ILE 81 -12.913 -6.359 5.931 576 HD12 ILE 81 HD12 ILE 81 -12.904 -4.648 6.360 577 HD13 ILE 81 HD13 ILE 81 -12.562 -5.144 4.703 578 H SER 82 HN SER 82 -12.825 -7.492 1.769 579 HA SER 82 HA SER 82 -14.519 -8.662 -0.216 580 HB2 SER 82 HB2 SER 82 -12.103 -8.437 -0.600 581 HB3 SER 82 HB1 SER 82 -11.778 -9.499 0.772 582 HG SER 82 HG SER 82 -12.837 -10.114 -1.760 583 H LYS 83 HN LYS 83 -15.874 -10.298 0.046 584 HA LYS 83 HA LYS 83 -16.232 -11.461 2.632 585 HB2 LYS 83 HB2 LYS 83 -17.526 -12.158 -0.004 586 HB3 LYS 83 HB1 LYS 83 -18.075 -12.681 1.583 587 HG2 LYS 83 HG2 LYS 83 -18.544 -10.384 2.205 588 HG3 LYS 83 HG1 LYS 83 -17.937 -9.822 0.649 589 HD2 LYS 83 HD2 LYS 83 -19.701 -11.193 -0.455 590 HD3 LYS 83 HD1 LYS 83 -20.353 -11.553 1.144 591 HE2 LYS 83 HE2 LYS 83 -20.693 -9.158 1.532 592 HE3 LYS 83 HE1 LYS 83 -20.059 -8.810 -0.075 593 HZ1 LYS 83 HZ1 LYS 83 -21.884 -10.125 -1.007 594 HZ2 LYS 83 HZ2 LYS 83 -22.446 -8.803 -0.114 595 HZ3 LYS 83 HZ3 LYS 83 -22.512 -10.359 0.547 596 H LEU 84 HN LEU 84 -14.176 -12.148 0.123 597 HA LEU 84 HA LEU 84 -14.179 -14.989 0.190 598 HB2 LEU 84 HB2 LEU 84 -12.045 -13.069 -0.716 599 HB3 LEU 84 HB1 LEU 84 -12.066 -14.789 -1.048 600 HG LEU 84 HG LEU 84 -14.056 -12.764 -2.074 601 HD11 LEU 84 HD11 LEU 84 -11.845 -14.282 -3.445 602 HD12 LEU 84 HD12 LEU 84 -11.908 -12.544 -3.153 603 HD13 LEU 84 HD13 LEU 84 -13.056 -13.296 -4.261 604 HD21 LEU 84 HD21 LEU 84 -14.887 -14.635 -3.450 605 HD22 LEU 84 HD22 LEU 84 -15.143 -14.891 -1.727 606 HD23 LEU 84 HD23 LEU 84 -13.835 -15.732 -2.557 607 H ASP 85 HN ASP 85 -12.185 -12.488 1.717 608 HA ASP 85 HA ASP 85 -11.098 -14.553 3.505 609 HB2 ASP 85 HB2 ASP 85 -9.565 -13.992 1.525 610 HB3 ASP 85 HB1 ASP 85 -9.320 -12.439 2.311 611 H GLY 86 HN GLY 86 -12.615 -11.609 3.298 612 HA2 GLY 86 HA2 GLY 86 -13.169 -10.146 5.000 613 HA3 GLY 86 HA1 GLY 86 -12.043 -10.984 6.052 614 H ARG 87 HN ARG 87 -10.748 -10.017 3.056 615 HA ARG 87 HA ARG 87 -9.118 -8.000 4.398 616 HB2 ARG 87 HB2 ARG 87 -8.875 -9.203 1.628 617 HB3 ARG 87 HB1 ARG 87 -7.705 -8.124 2.382 618 HG2 ARG 87 HG2 ARG 87 -7.274 -9.793 4.106 619 HG3 ARG 87 HG1 ARG 87 -8.453 -10.871 3.362 620 HD2 ARG 87 HD2 ARG 87 -7.072 -10.795 1.275 621 HD3 ARG 87 HD1 ARG 87 -5.850 -9.911 2.191 622 HE ARG 87 HE ARG 87 -6.696 -12.447 3.331 623 HH11 ARG 87 HH11 ARG 87 -4.324 -10.764 1.363 624 HH12 ARG 87 HH12 ARG 87 -3.135 -12.017 1.507 625 HH21 ARG 87 HH21 ARG 87 -5.124 -14.092 3.504 626 HH22 ARG 87 HH22 ARG 87 -3.593 -13.909 2.709 627 H LEU 88 HN LEU 88 -9.048 -5.852 3.771 628 HA LEU 88 HA LEU 88 -11.312 -4.741 2.496 629 HB2 LEU 88 HB2 LEU 88 -8.614 -3.618 3.198 630 HB3 LEU 88 HB1 LEU 88 -9.829 -2.660 2.384 631 HG LEU 88 HG LEU 88 -10.354 -3.990 5.028 632 HD11 LEU 88 HD11 LEU 88 -9.409 -1.168 4.552 633 HD12 LEU 88 HD12 LEU 88 -8.403 -2.468 5.184 634 HD13 LEU 88 HD13 LEU 88 -9.798 -1.906 6.105 635 HD21 LEU 88 HD21 LEU 88 -12.314 -3.284 3.745 636 HD22 LEU 88 HD22 LEU 88 -11.636 -1.664 3.599 637 HD23 LEU 88 HD23 LEU 88 -12.102 -2.286 5.181 638 H SER 89 HN SER 89 -11.786 -4.591 0.432 639 HA SER 89 HA SER 89 -9.603 -4.688 -1.533 640 HB2 SER 89 HB2 SER 89 -10.756 -6.863 -1.474 641 HB3 SER 89 HB1 SER 89 -12.302 -6.057 -1.734 642 HG SER 89 HG SER 89 -11.656 -5.482 -3.778 643 H CYS 90 HN CYS 90 -9.720 -3.202 -3.129 644 HA CYS 90 HA CYS 90 -11.821 -1.217 -2.962 645 HB2 CYS 90 HB2 CYS 90 -10.455 0.093 -4.516 646 HB3 CYS 90 HB1 CYS 90 -9.468 -0.490 -3.177 647 H THR 91 HN THR 91 -12.665 -0.366 -5.147 648 HA THR 91 HA THR 91 -14.188 -2.447 -6.307 649 HB THR 91 HB THR 91 -14.931 -0.620 -7.900 650 HG1 THR 91 HG1 THR 91 -13.134 0.735 -7.852 651 HG21 THR 91 HG21 THR 91 -15.102 -0.115 -4.929 652 HG22 THR 91 HG22 THR 91 -16.191 -1.110 -5.894 653 HG23 THR 91 HG23 THR 91 -16.136 0.633 -6.144 654 H GLU 92 HN GLU 92 -11.043 -1.523 -6.943 655 HA GLU 92 HA GLU 92 -11.211 -1.939 -9.826 656 HB2 GLU 92 HB2 GLU 92 -8.787 -1.187 -8.194 657 HB3 GLU 92 HB1 GLU 92 -8.980 -1.060 -9.937 658 HG2 GLU 92 HG2 GLU 92 -10.374 0.567 -7.826 659 HG3 GLU 92 HG1 GLU 92 -9.153 1.124 -8.965 660 H HIS 93 HN HIS 93 -11.465 -4.113 -7.769 661 HA HIS 93 HA HIS 93 -9.232 -5.780 -8.731 662 HB2 HIS 93 HB2 HIS 93 -10.594 -5.846 -6.036 663 HB3 HIS 93 HB1 HIS 93 -9.532 -7.123 -6.617 664 HD1 HIS 93 HD1 HIS 93 -7.809 -4.396 -7.887 665 HD2 HIS 93 HD2 HIS 93 -8.518 -5.743 -4.023 666 HE1 HIS 93 HE1 HIS 93 -6.012 -3.367 -6.430 667 H ASP 94 HN ASP 94 -11.359 -5.678 -10.313 668 HA ASP 94 HA ASP 94 -13.264 -7.736 -9.675 669 HB2 ASP 94 HB2 ASP 94 -13.895 -5.848 -11.127 670 HB3 ASP 94 HB1 ASP 94 -12.713 -6.380 -12.319 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 14.160 -6.242 16.697 2 H2 GLY 1 HT2 GLY 1 12.560 -6.567 16.258 3 H3 GLY 1 HT3 GLY 1 12.981 -5.043 16.852 4 HA2 GLY 1 HA1 GLY 1 12.696 -4.939 14.475 5 HA3 GLY 1 HA2 GLY 1 14.370 -4.641 14.919 6 H ALA 2 HN ALA 2 14.413 -5.243 12.514 7 HA ALA 2 HA ALA 2 15.362 -6.616 10.985 8 HB1 ALA 2 HB1 ALA 2 16.838 -7.403 12.766 9 HB2 ALA 2 HB2 ALA 2 16.438 -8.691 11.629 10 HB3 ALA 2 HB3 ALA 2 15.649 -8.630 13.205 11 H MET 3 HN MET 3 12.448 -6.934 12.211 12 HA MET 3 HA MET 3 11.682 -8.885 10.173 13 HB2 MET 3 HB2 MET 3 11.751 -9.989 12.463 14 HB3 MET 3 HB1 MET 3 10.456 -8.902 12.939 15 HG2 MET 3 HG2 MET 3 9.059 -9.850 11.116 16 HG3 MET 3 HG1 MET 3 10.346 -11.008 10.789 17 HE1 MET 3 HE1 MET 3 7.761 -10.874 14.599 18 HE2 MET 3 HE2 MET 3 7.582 -9.809 13.205 19 HE3 MET 3 HE3 MET 3 8.975 -9.639 14.272 20 H GLU 4 HN GLU 4 11.709 -5.963 10.509 21 HA GLU 4 HA GLU 4 8.858 -5.301 10.682 22 HB2 GLU 4 HB2 GLU 4 9.563 -2.972 10.773 23 HB3 GLU 4 HB1 GLU 4 10.436 -3.904 11.975 24 HG2 GLU 4 HG2 GLU 4 11.567 -3.181 9.289 25 HG3 GLU 4 HG1 GLU 4 11.781 -2.205 10.738 26 H ARG 5 HN ARG 5 10.869 -6.401 8.452 27 HA ARG 5 HA ARG 5 9.659 -4.842 6.271 28 HB2 ARG 5 HB2 ARG 5 12.343 -6.232 6.248 29 HB3 ARG 5 HB1 ARG 5 11.665 -5.253 4.955 30 HG2 ARG 5 HG2 ARG 5 11.804 -3.276 6.371 31 HG3 ARG 5 HG1 ARG 5 12.454 -4.260 7.685 32 HD2 ARG 5 HD2 ARG 5 13.726 -3.808 4.989 33 HD3 ARG 5 HD1 ARG 5 14.244 -3.100 6.518 34 HE ARG 5 HE ARG 5 14.308 -5.796 6.959 35 HH11 ARG 5 HH11 ARG 5 15.738 -3.672 4.580 36 HH12 ARG 5 HH12 ARG 5 17.165 -4.634 4.382 37 HH21 ARG 5 HH21 ARG 5 16.187 -7.078 6.701 38 HH22 ARG 5 HH22 ARG 5 17.425 -6.574 5.593 39 H GLU 6 HN GLU 6 8.168 -6.082 5.274 40 HA GLU 6 HA GLU 6 8.204 -8.923 5.284 41 HB2 GLU 6 HB2 GLU 6 6.212 -7.327 4.858 42 HB3 GLU 6 HB1 GLU 6 6.811 -7.237 3.207 43 HG2 GLU 6 HG2 GLU 6 6.549 -9.644 2.968 44 HG3 GLU 6 HG1 GLU 6 5.979 -9.754 4.632 45 H ASP 7 HN ASP 7 8.423 -10.227 3.198 46 HA ASP 7 HA ASP 7 10.751 -9.162 1.746 47 HB2 ASP 7 HB2 ASP 7 10.130 -11.989 2.582 48 HB3 ASP 7 HB1 ASP 7 11.396 -11.584 1.426 49 H GLU 8 HN GLU 8 8.139 -8.676 0.865 50 HA GLU 8 HA GLU 8 8.435 -9.650 -1.826 51 HB2 GLU 8 HB2 GLU 8 7.082 -11.418 -0.681 52 HB3 GLU 8 HB1 GLU 8 5.868 -10.198 -0.324 53 HG2 GLU 8 HG2 GLU 8 5.493 -9.850 -2.698 54 HG3 GLU 8 HG1 GLU 8 6.742 -11.036 -3.081 55 H CYS 9 HN CYS 9 7.366 -8.306 -3.331 56 HA CYS 9 HA CYS 9 6.819 -5.665 -2.279 57 HB2 CYS 9 HB2 CYS 9 8.152 -5.863 -4.312 58 HB3 CYS 9 HB1 CYS 9 6.847 -6.748 -5.101 59 H PHE 10 HN PHE 10 4.863 -5.009 -1.746 60 HA PHE 10 HA PHE 10 2.585 -6.667 -2.134 61 HB2 PHE 10 HB2 PHE 10 2.943 -5.248 -0.133 62 HB3 PHE 10 HB1 PHE 10 2.737 -3.814 -1.129 63 HD1 PHE 10 HD1 PHE 10 0.694 -2.800 -1.092 64 HD2 PHE 10 HD2 PHE 10 0.922 -6.987 -0.352 65 HE1 PHE 10 HE1 PHE 10 -1.725 -2.855 -0.660 66 HE2 PHE 10 HE2 PHE 10 -1.496 -7.048 0.075 67 HZ PHE 10 HZ PHE 10 -2.819 -4.977 -0.074 68 H SER 11 HN SER 11 3.989 -4.114 -3.951 69 HA SER 11 HA SER 11 1.615 -3.391 -5.383 70 HB2 SER 11 HB2 SER 11 4.494 -2.905 -6.172 71 HB3 SER 11 HB1 SER 11 3.072 -2.036 -6.749 72 HG SER 11 HG SER 11 3.297 -0.770 -5.099 73 H CYS 12 HN CYS 12 4.284 -5.644 -5.891 74 HA CYS 12 HA CYS 12 3.249 -6.207 -8.588 75 HB2 CYS 12 HB2 CYS 12 5.973 -6.824 -7.432 76 HB3 CYS 12 HB1 CYS 12 5.464 -7.120 -9.094 77 H GLY 13 HN GLY 13 3.829 -7.648 -5.478 78 HA2 GLY 13 HA2 GLY 13 3.218 -9.753 -4.707 79 HA3 GLY 13 HA1 GLY 13 2.677 -10.160 -6.335 80 H ASP 14 HN ASP 14 5.745 -8.812 -6.288 81 HA ASP 14 HA ASP 14 7.003 -11.462 -6.486 82 HB2 ASP 14 HB2 ASP 14 7.343 -8.997 -8.177 83 HB3 ASP 14 HB1 ASP 14 8.625 -10.200 -8.076 84 H ALA 15 HN ALA 15 9.314 -11.489 -5.998 85 HA ALA 15 HA ALA 15 9.988 -9.489 -3.950 86 HB1 ALA 15 HB1 ALA 15 10.786 -12.389 -4.078 87 HB2 ALA 15 HB2 ALA 15 9.601 -11.675 -2.983 88 HB3 ALA 15 HB3 ALA 15 11.303 -11.233 -2.848 89 H GLY 16 HN GLY 16 12.289 -9.033 -3.699 90 HA2 GLY 16 HA2 GLY 16 14.387 -9.698 -5.259 91 HA3 GLY 16 HA1 GLY 16 13.471 -8.604 -6.288 92 H GLN 17 HN GLN 17 14.474 -6.696 -6.282 93 HA GLN 17 HA GLN 17 15.960 -5.729 -4.020 94 HB2 GLN 17 HB2 GLN 17 16.663 -5.263 -6.330 95 HB3 GLN 17 HB1 GLN 17 15.179 -4.361 -6.599 96 HG2 GLN 17 HG2 GLN 17 15.855 -2.726 -4.941 97 HG3 GLN 17 HG1 GLN 17 17.328 -3.637 -4.625 98 HE21 GLN 17 HE21 GLN 17 15.985 -3.293 -7.821 99 HE22 GLN 17 HE22 GLN 17 17.233 -2.269 -8.446 100 H LEU 18 HN LEU 18 14.623 -5.353 -2.292 101 HA LEU 18 HA LEU 18 12.216 -3.748 -2.778 102 HB2 LEU 18 HB2 LEU 18 12.871 -5.588 -0.482 103 HB3 LEU 18 HB1 LEU 18 11.372 -4.697 -0.677 104 HG LEU 18 HG LEU 18 12.309 -6.706 -2.702 105 HD11 LEU 18 HD11 LEU 18 10.749 -8.286 -1.645 106 HD12 LEU 18 HD12 LEU 18 10.536 -7.153 -0.315 107 HD13 LEU 18 HD13 LEU 18 12.114 -7.883 -0.606 108 HD21 LEU 18 HD21 LEU 18 10.640 -5.104 -3.453 109 HD22 LEU 18 HD22 LEU 18 9.613 -5.526 -2.085 110 HD23 LEU 18 HD23 LEU 18 9.955 -6.722 -3.330 111 H VAL 19 HN VAL 19 11.768 -1.961 -1.634 112 HA VAL 19 HA VAL 19 13.679 -1.072 0.421 113 HB VAL 19 HB VAL 19 13.897 0.386 -1.507 114 HG11 VAL 19 HG11 VAL 19 11.775 -0.013 -2.601 115 HG12 VAL 19 HG12 VAL 19 12.014 1.717 -2.356 116 HG13 VAL 19 HG13 VAL 19 10.921 0.819 -1.301 117 HG21 VAL 19 HG21 VAL 19 12.329 1.719 0.696 118 HG22 VAL 19 HG22 VAL 19 13.339 2.546 -0.489 119 HG23 VAL 19 HG23 VAL 19 14.070 1.438 0.671 120 H SER 20 HN SER 20 12.799 -0.579 2.378 121 HA SER 20 HA SER 20 9.957 -1.228 2.607 122 HB2 SER 20 HB2 SER 20 11.587 -2.610 3.866 123 HB3 SER 20 HB1 SER 20 12.065 -1.178 4.774 124 HG SER 20 HG SER 20 9.530 -2.458 4.750 125 H CYS 21 HN CYS 21 8.653 -0.148 4.146 126 HA CYS 21 HA CYS 21 8.705 2.672 3.900 127 HB2 CYS 21 HB2 CYS 21 6.670 1.189 4.161 128 HB3 CYS 21 HB1 CYS 21 7.104 1.018 5.863 129 H LYS 22 HN LYS 22 9.241 4.253 5.404 130 HA LYS 22 HA LYS 22 11.001 3.324 7.545 131 HB2 LYS 22 HB2 LYS 22 10.593 6.102 6.427 132 HB3 LYS 22 HB1 LYS 22 11.798 5.646 7.621 133 HG2 LYS 22 HG2 LYS 22 11.661 4.653 4.780 134 HG3 LYS 22 HG1 LYS 22 12.788 5.856 5.410 135 HD2 LYS 22 HD2 LYS 22 13.702 4.159 6.945 136 HD3 LYS 22 HD1 LYS 22 12.601 2.964 6.259 137 HE2 LYS 22 HE2 LYS 22 14.754 4.451 4.760 138 HE3 LYS 22 HE1 LYS 22 14.844 2.777 5.305 139 HZ1 LYS 22 HZ1 LYS 22 14.252 2.819 3.009 140 HZ2 LYS 22 HZ2 LYS 22 12.975 3.888 3.286 141 HZ3 LYS 22 HZ3 LYS 22 12.895 2.305 3.881 142 H LYS 23 HN LYS 23 8.161 3.069 7.803 143 HA LYS 23 HA LYS 23 7.765 4.810 10.140 144 HB2 LYS 23 HB2 LYS 23 6.082 5.247 8.398 145 HB3 LYS 23 HB1 LYS 23 5.634 3.546 8.404 146 HG2 LYS 23 HG2 LYS 23 4.847 3.718 10.682 147 HG3 LYS 23 HG1 LYS 23 5.383 5.395 10.768 148 HD2 LYS 23 HD2 LYS 23 3.254 4.308 8.924 149 HD3 LYS 23 HD1 LYS 23 2.973 5.241 10.395 150 HE2 LYS 23 HE2 LYS 23 4.200 7.129 9.418 151 HE3 LYS 23 HE1 LYS 23 4.443 6.202 7.940 152 HZ1 LYS 23 HZ1 LYS 23 2.003 6.102 7.714 153 HZ2 LYS 23 HZ2 LYS 23 2.618 7.675 7.637 154 HZ3 LYS 23 HZ3 LYS 23 1.854 7.133 9.047 155 HA PRO 24 HA PRO 24 8.178 0.920 12.398 156 HB2 PRO 24 HB2 PRO 24 6.986 2.654 14.502 157 HB3 PRO 24 HB1 PRO 24 8.417 1.621 14.578 158 HG2 PRO 24 HG2 PRO 24 8.660 4.264 14.417 159 HG3 PRO 24 HG1 PRO 24 9.769 3.190 13.543 160 HD2 PRO 24 HD2 PRO 24 7.461 4.789 12.500 161 HD3 PRO 24 HD1 PRO 24 9.033 4.447 11.744 162 H GLY 25 HN GLY 25 6.697 -0.672 12.490 163 HA2 GLY 25 HA2 GLY 25 4.578 -1.562 13.141 164 HA3 GLY 25 HA1 GLY 25 3.879 0.044 12.942 165 H CYS 26 HN CYS 26 5.340 0.349 10.340 166 HA CYS 26 HA CYS 26 3.390 -1.084 8.692 167 HB2 CYS 26 HB2 CYS 26 3.787 1.416 8.489 168 HB3 CYS 26 HB1 CYS 26 5.390 1.035 7.866 169 HA PRO 27 HA PRO 27 6.972 -3.732 7.961 170 HB2 PRO 27 HB2 PRO 27 5.664 -6.034 7.709 171 HB3 PRO 27 HB1 PRO 27 5.727 -5.215 9.277 172 HG2 PRO 27 HG2 PRO 27 3.505 -5.326 7.277 173 HG3 PRO 27 HG1 PRO 27 3.422 -5.390 9.052 174 HD2 PRO 27 HD2 PRO 27 3.006 -3.109 7.466 175 HD3 PRO 27 HD1 PRO 27 3.323 -3.124 9.215 176 H LYS 28 HN LYS 28 4.879 -2.492 5.774 177 HA LYS 28 HA LYS 28 5.070 -4.528 3.745 178 HB2 LYS 28 HB2 LYS 28 3.393 -2.275 4.225 179 HB3 LYS 28 HB1 LYS 28 4.126 -2.072 2.638 180 HG2 LYS 28 HG2 LYS 28 1.940 -3.250 2.605 181 HG3 LYS 28 HG1 LYS 28 3.263 -4.176 1.891 182 HD2 LYS 28 HD2 LYS 28 3.475 -5.486 3.941 183 HD3 LYS 28 HD1 LYS 28 2.213 -4.517 4.705 184 HE2 LYS 28 HE2 LYS 28 0.561 -5.359 3.221 185 HE3 LYS 28 HE1 LYS 28 1.779 -6.116 2.194 186 HZ1 LYS 28 HZ1 LYS 28 1.191 -6.888 5.003 187 HZ2 LYS 28 HZ2 LYS 28 2.316 -7.638 3.979 188 HZ3 LYS 28 HZ3 LYS 28 0.659 -7.720 3.629 189 H VAL 29 HN VAL 29 6.074 -4.351 1.737 190 HA VAL 29 HA VAL 29 8.245 -2.393 1.557 191 HB VAL 29 HB VAL 29 8.935 -4.602 2.684 192 HG11 VAL 29 HG11 VAL 29 7.802 -6.124 1.191 193 HG12 VAL 29 HG12 VAL 29 9.542 -6.414 1.181 194 HG13 VAL 29 HG13 VAL 29 8.783 -5.554 -0.157 195 HG21 VAL 29 HG21 VAL 29 11.089 -4.656 1.403 196 HG22 VAL 29 HG22 VAL 29 10.605 -3.094 2.055 197 HG23 VAL 29 HG23 VAL 29 10.383 -3.436 0.342 198 H TYR 30 HN TYR 30 9.168 -2.251 -0.611 199 HA TYR 30 HA TYR 30 7.528 -3.322 -2.783 200 HB2 TYR 30 HB2 TYR 30 7.911 -0.334 -2.505 201 HB3 TYR 30 HB1 TYR 30 6.868 -1.185 -3.639 202 HD1 TYR 30 HD1 TYR 30 4.707 -2.058 -2.926 203 HD2 TYR 30 HD2 TYR 30 7.205 0.060 -0.212 204 HE1 TYR 30 HE1 TYR 30 2.802 -1.774 -1.407 205 HE2 TYR 30 HE2 TYR 30 5.303 0.342 1.321 206 HH TYR 30 HH TYR 30 2.404 -1.361 1.003 207 H HIS 31 HN HIS 31 8.465 -2.605 -4.929 208 HA HIS 31 HA HIS 31 11.371 -2.445 -4.796 209 HB2 HIS 31 HB2 HIS 31 9.615 -2.448 -7.269 210 HB3 HIS 31 HB1 HIS 31 11.357 -2.706 -7.215 211 HD2 HIS 31 HD2 HIS 31 11.903 -5.148 -5.533 212 HE1 HIS 31 HE1 HIS 31 8.470 -6.954 -7.226 213 HE2 HIS 31 HE2 HIS 31 10.772 -7.378 -6.241 214 H ALA 32 HN ALA 32 12.522 -0.620 -5.239 215 HA ALA 32 HA ALA 32 11.310 1.902 -5.235 216 HB1 ALA 32 HB1 ALA 32 13.529 2.760 -5.841 217 HB2 ALA 32 HB2 ALA 32 14.058 1.114 -6.186 218 HB3 ALA 32 HB3 ALA 32 13.610 1.573 -4.542 219 H ASP 33 HN ASP 33 12.125 -0.302 -7.780 220 HA ASP 33 HA ASP 33 12.027 1.501 -9.948 221 HB2 ASP 33 HB2 ASP 33 13.110 -0.685 -10.135 222 HB3 ASP 33 HB1 ASP 33 11.553 -1.482 -9.940 223 H CYS 34 HN CYS 34 9.531 -0.713 -8.646 224 HA CYS 34 HA CYS 34 7.602 0.092 -10.589 225 HB2 CYS 34 HB2 CYS 34 5.978 -1.087 -8.991 226 HB3 CYS 34 HB1 CYS 34 7.271 -2.075 -9.665 227 H LEU 35 HN LEU 35 8.679 1.354 -7.600 228 HA LEU 35 HA LEU 35 6.376 3.057 -7.206 229 HB2 LEU 35 HB2 LEU 35 9.085 3.004 -5.888 230 HB3 LEU 35 HB1 LEU 35 7.770 4.059 -5.410 231 HG LEU 35 HG LEU 35 7.624 1.049 -5.322 232 HD11 LEU 35 HD11 LEU 35 7.763 1.538 -2.814 233 HD12 LEU 35 HD12 LEU 35 8.462 3.082 -3.296 234 HD13 LEU 35 HD13 LEU 35 9.255 1.576 -3.749 235 HD21 LEU 35 HD21 LEU 35 5.871 3.223 -4.194 236 HD22 LEU 35 HD22 LEU 35 5.708 1.505 -3.827 237 HD23 LEU 35 HD23 LEU 35 5.446 2.084 -5.473 238 H ASN 36 HN ASN 36 8.947 3.060 -9.272 239 HA ASN 36 HA ASN 36 9.966 4.557 -10.617 240 HB2 ASN 36 HB2 ASN 36 7.472 6.103 -9.944 241 HB3 ASN 36 HB1 ASN 36 8.678 6.702 -11.076 242 HD21 ASN 36 HD21 ASN 36 5.856 5.882 -11.428 243 HD22 ASN 36 HD22 ASN 36 5.882 4.699 -12.688 244 H LEU 37 HN LEU 37 10.844 4.464 -7.958 245 HA LEU 37 HA LEU 37 11.237 7.161 -7.029 246 HB2 LEU 37 HB2 LEU 37 12.321 4.515 -6.095 247 HB3 LEU 37 HB1 LEU 37 12.758 6.040 -5.354 248 HG LEU 37 HG LEU 37 9.992 4.831 -5.444 249 HD11 LEU 37 HD11 LEU 37 11.859 5.317 -3.130 250 HD12 LEU 37 HD12 LEU 37 11.551 3.750 -3.874 251 HD13 LEU 37 HD13 LEU 37 10.249 4.606 -3.047 252 HD21 LEU 37 HD21 LEU 37 9.358 6.704 -3.987 253 HD22 LEU 37 HD22 LEU 37 9.848 7.246 -5.591 254 HD23 LEU 37 HD23 LEU 37 10.954 7.415 -4.226 255 H THR 38 HN THR 38 12.215 7.848 -9.107 256 HA THR 38 HA THR 38 14.883 7.106 -9.736 257 HB THR 38 HB THR 38 13.562 9.770 -10.293 258 HG1 THR 38 HG1 THR 38 13.025 7.232 -11.238 259 HG21 THR 38 HG21 THR 38 15.015 9.778 -12.266 260 HG22 THR 38 HG22 THR 38 15.711 8.238 -11.763 261 HG23 THR 38 HG23 THR 38 15.961 9.681 -10.781 262 H LYS 39 HN LYS 39 13.419 9.150 -7.387 263 HA LYS 39 HA LYS 39 16.052 10.087 -6.473 264 HB2 LYS 39 HB2 LYS 39 13.309 11.074 -5.647 265 HB3 LYS 39 HB1 LYS 39 14.850 11.770 -5.171 266 HG2 LYS 39 HG2 LYS 39 15.279 12.428 -7.484 267 HG3 LYS 39 HG1 LYS 39 13.747 11.709 -7.979 268 HD2 LYS 39 HD2 LYS 39 14.046 13.965 -5.998 269 HD3 LYS 39 HD1 LYS 39 13.612 14.159 -7.696 270 HE2 LYS 39 HE2 LYS 39 12.028 12.586 -5.663 271 HE3 LYS 39 HE1 LYS 39 11.658 14.225 -6.190 272 HZ1 LYS 39 HZ1 LYS 39 11.340 13.392 -8.438 273 HZ2 LYS 39 HZ2 LYS 39 10.311 12.596 -7.359 274 HZ3 LYS 39 HZ3 LYS 39 11.698 11.821 -7.933 275 H ARG 40 HN ARG 40 16.871 8.725 -4.980 276 HA ARG 40 HA ARG 40 15.097 7.062 -3.420 277 HB2 ARG 40 HB2 ARG 40 17.163 6.062 -2.508 278 HB3 ARG 40 HB1 ARG 40 17.096 6.018 -4.260 279 HG2 ARG 40 HG2 ARG 40 18.650 7.845 -4.418 280 HG3 ARG 40 HG1 ARG 40 18.635 8.052 -2.665 281 HD2 ARG 40 HD2 ARG 40 20.623 6.841 -3.330 282 HD3 ARG 40 HD1 ARG 40 19.554 5.779 -2.417 283 HE ARG 40 HE ARG 40 19.659 5.739 -5.363 284 HH11 ARG 40 HH11 ARG 40 19.719 4.077 -2.276 285 HH12 ARG 40 HH12 ARG 40 19.767 2.499 -2.985 286 HH21 ARG 40 HH21 ARG 40 19.736 3.664 -6.296 287 HH22 ARG 40 HH22 ARG 40 19.771 2.262 -5.274 288 HA PRO 41 HA PRO 41 14.978 10.222 -0.302 289 HB2 PRO 41 HB2 PRO 41 13.009 9.161 1.179 290 HB3 PRO 41 HB1 PRO 41 12.699 9.882 -0.403 291 HG2 PRO 41 HG2 PRO 41 12.967 7.003 0.351 292 HG3 PRO 41 HG1 PRO 41 11.801 7.771 -0.744 293 HD2 PRO 41 HD2 PRO 41 14.063 6.458 -1.591 294 HD3 PRO 41 HD1 PRO 41 13.267 7.751 -2.513 295 H ALA 42 HN ALA 42 15.876 10.538 1.662 296 HA ALA 42 HA ALA 42 16.780 8.167 3.156 297 HB1 ALA 42 HB1 ALA 42 18.736 9.478 3.849 298 HB2 ALA 42 HB2 ALA 42 18.184 10.818 2.845 299 HB3 ALA 42 HB3 ALA 42 18.657 9.292 2.098 300 H GLY 43 HN GLY 43 16.329 8.118 5.314 301 HA2 GLY 43 HA2 GLY 43 15.916 9.181 7.423 302 HA3 GLY 43 HA1 GLY 43 15.304 10.582 6.554 303 H LYS 44 HN LYS 44 13.190 10.822 6.639 304 HA LYS 44 HA LYS 44 11.536 8.496 7.234 305 HB2 LYS 44 HB2 LYS 44 11.225 11.432 7.524 306 HB3 LYS 44 HB1 LYS 44 9.767 10.496 7.244 307 HG2 LYS 44 HG2 LYS 44 11.737 9.985 9.460 308 HG3 LYS 44 HG1 LYS 44 10.235 10.895 9.631 309 HD2 LYS 44 HD2 LYS 44 10.505 7.986 8.870 310 HD3 LYS 44 HD1 LYS 44 9.904 8.624 10.400 311 HE2 LYS 44 HE2 LYS 44 8.031 9.676 9.217 312 HE3 LYS 44 HE1 LYS 44 8.631 9.024 7.695 313 HZ1 LYS 44 HZ1 LYS 44 8.408 6.776 8.790 314 HZ2 LYS 44 HZ2 LYS 44 6.966 7.573 8.373 315 HZ3 LYS 44 HZ3 LYS 44 7.494 7.554 9.986 316 H TRP 45 HN TRP 45 11.050 7.387 5.471 317 HA TRP 45 HA TRP 45 9.827 8.845 3.251 318 HB2 TRP 45 HB2 TRP 45 11.719 7.569 2.453 319 HB3 TRP 45 HB1 TRP 45 11.140 6.124 3.280 320 HD1 TRP 45 HD1 TRP 45 9.843 8.517 0.511 321 HE1 TRP 45 HE1 TRP 45 8.575 7.120 -1.222 322 HE3 TRP 45 HE3 TRP 45 10.259 3.921 2.713 323 HZ2 TRP 45 HZ2 TRP 45 7.841 4.429 -1.615 324 HZ3 TRP 45 HZ3 TRP 45 9.244 1.981 1.581 325 HH2 TRP 45 HH2 TRP 45 8.061 2.233 -0.536 326 H GLU 46 HN GLU 46 7.729 8.605 2.932 327 HA GLU 46 HA GLU 46 6.282 6.629 4.536 328 HB2 GLU 46 HB2 GLU 46 5.333 9.059 3.002 329 HB3 GLU 46 HB1 GLU 46 4.288 7.991 3.930 330 HG2 GLU 46 HG2 GLU 46 6.604 9.446 5.159 331 HG3 GLU 46 HG1 GLU 46 4.994 10.151 5.035 332 H CYS 47 HN CYS 47 5.499 4.827 3.568 333 HA CYS 47 HA CYS 47 5.738 4.409 0.772 334 HB2 CYS 47 HB2 CYS 47 4.752 2.271 1.123 335 HB3 CYS 47 HB1 CYS 47 5.727 2.588 2.550 336 HA PRO 48 HA PRO 48 2.120 6.398 -0.778 337 HB2 PRO 48 HB2 PRO 48 1.515 4.705 -2.861 338 HB3 PRO 48 HB1 PRO 48 2.785 5.935 -2.917 339 HG2 PRO 48 HG2 PRO 48 3.007 3.002 -2.363 340 HG3 PRO 48 HG1 PRO 48 4.037 4.033 -3.373 341 HD2 PRO 48 HD2 PRO 48 4.792 3.305 -0.909 342 HD3 PRO 48 HD1 PRO 48 5.153 4.931 -1.531 343 H TRP 49 HN TRP 49 2.076 3.355 0.608 344 HA TRP 49 HA TRP 49 -0.671 2.663 0.211 345 HB2 TRP 49 HB2 TRP 49 1.382 1.176 0.873 346 HB3 TRP 49 HB1 TRP 49 1.009 1.705 2.514 347 HD1 TRP 49 HD1 TRP 49 -1.587 0.654 -0.175 348 HE1 TRP 49 HE1 TRP 49 -2.878 -1.390 0.733 349 HE3 TRP 49 HE3 TRP 49 1.008 -0.086 4.178 350 HZ2 TRP 49 HZ2 TRP 49 -2.803 -3.070 2.992 351 HZ3 TRP 49 HZ3 TRP 49 0.334 -1.933 5.655 352 HH2 TRP 49 HH2 TRP 49 -1.538 -3.398 5.070 353 H HIS 50 HN HIS 50 0.987 4.913 2.177 354 HA HIS 50 HA HIS 50 -1.289 5.181 4.009 355 HB2 HIS 50 HB2 HIS 50 1.241 6.840 3.930 356 HB3 HIS 50 HB1 HIS 50 0.030 6.812 5.210 357 HD1 HIS 50 HD1 HIS 50 -0.105 3.650 5.509 358 HD2 HIS 50 HD2 HIS 50 3.322 5.986 5.342 359 HE1 HIS 50 HE1 HIS 50 1.719 2.325 6.668 360 H GLN 51 HN GLN 51 -0.724 6.048 0.969 361 HA GLN 51 HA GLN 51 -1.746 8.789 1.302 362 HB2 GLN 51 HB2 GLN 51 -0.038 7.739 -0.964 363 HB3 GLN 51 HB1 GLN 51 -0.619 9.389 -0.778 364 HG2 GLN 51 HG2 GLN 51 1.149 8.045 1.236 365 HG3 GLN 51 HG1 GLN 51 1.774 8.971 -0.123 366 HE21 GLN 51 HE21 GLN 51 -0.026 9.151 2.889 367 HE22 GLN 51 HE22 GLN 51 0.166 10.854 3.113 368 H CYS 52 HN CYS 52 -3.516 9.368 0.225 369 HA CYS 52 HA CYS 52 -5.208 7.350 -0.841 370 HB2 CYS 52 HB2 CYS 52 -6.043 9.352 0.340 371 HB3 CYS 52 HB1 CYS 52 -5.445 10.367 -0.962 372 H ASP 53 HN ASP 53 -5.252 6.573 -2.833 373 HA ASP 53 HA ASP 53 -3.436 7.405 -4.822 374 HB2 ASP 53 HB2 ASP 53 -4.307 5.096 -4.649 375 HB3 ASP 53 HB1 ASP 53 -5.900 5.665 -5.139 376 H VAL 54 HN VAL 54 -6.493 8.626 -3.967 377 HA VAL 54 HA VAL 54 -7.049 9.696 -6.611 378 HB VAL 54 HB VAL 54 -8.571 10.052 -4.025 379 HG11 VAL 54 HG11 VAL 54 -9.290 10.815 -6.849 380 HG12 VAL 54 HG12 VAL 54 -8.949 11.920 -5.517 381 HG13 VAL 54 HG13 VAL 54 -10.379 10.887 -5.464 382 HG21 VAL 54 HG21 VAL 54 -8.605 7.748 -4.815 383 HG22 VAL 54 HG22 VAL 54 -9.123 8.294 -6.409 384 HG23 VAL 54 HG23 VAL 54 -10.185 8.507 -5.016 385 H CYS 55 HN CYS 55 -6.595 11.081 -3.324 386 HA CYS 55 HA CYS 55 -6.144 13.652 -4.664 387 HB2 CYS 55 HB2 CYS 55 -6.812 14.727 -2.573 388 HB3 CYS 55 HB1 CYS 55 -8.053 13.635 -3.165 389 H GLY 56 HN GLY 56 -4.418 11.254 -3.058 390 HA2 GLY 56 HA2 GLY 56 -2.146 11.226 -2.616 391 HA3 GLY 56 HA1 GLY 56 -2.091 12.947 -2.975 392 H LYS 57 HN LYS 57 -4.508 12.778 -0.820 393 HA LYS 57 HA LYS 57 -2.831 13.680 1.331 394 HB2 LYS 57 HB2 LYS 57 -5.817 13.235 1.251 395 HB3 LYS 57 HB1 LYS 57 -4.944 14.051 2.540 396 HG2 LYS 57 HG2 LYS 57 -4.272 15.809 1.013 397 HG3 LYS 57 HG1 LYS 57 -5.062 14.975 -0.324 398 HD2 LYS 57 HD2 LYS 57 -6.528 16.709 0.397 399 HD3 LYS 57 HD1 LYS 57 -7.216 15.180 0.937 400 HE2 LYS 57 HE2 LYS 57 -7.422 16.782 2.713 401 HE3 LYS 57 HE1 LYS 57 -6.216 15.584 3.182 402 HZ1 LYS 57 HZ1 LYS 57 -4.480 17.143 2.542 403 HZ2 LYS 57 HZ2 LYS 57 -5.495 17.822 3.710 404 HZ3 LYS 57 HZ3 LYS 57 -5.642 18.287 2.092 405 H GLU 58 HN GLU 58 -3.755 12.823 3.627 406 HA GLU 58 HA GLU 58 -2.583 10.323 3.990 407 HB2 GLU 58 HB2 GLU 58 -2.809 11.934 5.807 408 HB3 GLU 58 HB1 GLU 58 -4.558 11.774 5.760 409 HG2 GLU 58 HG2 GLU 58 -4.339 9.417 6.418 410 HG3 GLU 58 HG1 GLU 58 -2.592 9.625 6.515 411 H ALA 59 HN ALA 59 -3.273 8.326 3.686 412 HA ALA 59 HA ALA 59 -6.037 7.812 3.006 413 HB1 ALA 59 HB1 ALA 59 -4.319 6.678 1.745 414 HB2 ALA 59 HB2 ALA 59 -5.269 5.501 2.652 415 HB3 ALA 59 HB3 ALA 59 -3.665 5.968 3.221 416 H ALA 60 HN ALA 60 -7.533 6.875 4.300 417 HA ALA 60 HA ALA 60 -6.768 6.432 7.092 418 HB1 ALA 60 HB1 ALA 60 -9.147 6.587 7.588 419 HB2 ALA 60 HB2 ALA 60 -9.512 6.695 5.865 420 HB3 ALA 60 HB3 ALA 60 -8.615 7.988 6.659 421 H SER 61 HN SER 61 -8.051 4.850 4.275 422 HA SER 61 HA SER 61 -7.810 2.300 5.689 423 HB2 SER 61 HB2 SER 61 -9.762 1.469 4.379 424 HB3 SER 61 HB1 SER 61 -10.185 2.763 5.496 425 HG SER 61 HG SER 61 -9.474 3.419 2.869 426 H PHE 62 HN PHE 62 -6.879 0.664 4.531 427 HA PHE 62 HA PHE 62 -5.627 1.508 1.999 428 HB2 PHE 62 HB2 PHE 62 -4.332 -0.485 3.826 429 HB3 PHE 62 HB1 PHE 62 -3.574 0.695 2.750 430 HD1 PHE 62 HD1 PHE 62 -4.088 -0.150 6.062 431 HD2 PHE 62 HD2 PHE 62 -4.148 3.247 3.503 432 HE1 PHE 62 HE1 PHE 62 -3.749 1.320 8.003 433 HE2 PHE 62 HE2 PHE 62 -3.808 4.718 5.439 434 HZ PHE 62 HZ PHE 62 -3.605 3.756 7.693 435 H CYS 63 HN CYS 63 -5.874 0.084 0.276 436 HA CYS 63 HA CYS 63 -7.466 -2.246 0.591 437 HB2 CYS 63 HB2 CYS 63 -7.246 -0.987 -1.583 438 HB3 CYS 63 HB1 CYS 63 -5.629 -1.673 -1.747 439 H GLU 64 HN GLU 64 -6.913 -4.213 1.223 440 HA GLU 64 HA GLU 64 -4.129 -4.690 1.901 441 HB2 GLU 64 HB2 GLU 64 -6.623 -6.299 2.455 442 HB3 GLU 64 HB1 GLU 64 -5.017 -6.718 3.031 443 HG2 GLU 64 HG2 GLU 64 -4.946 -4.553 4.247 444 HG3 GLU 64 HG1 GLU 64 -6.617 -4.274 3.759 445 H MET 65 HN MET 65 -5.606 -4.920 -0.879 446 HA MET 65 HA MET 65 -4.263 -7.444 -1.597 447 HB2 MET 65 HB2 MET 65 -6.678 -6.197 -2.924 448 HB3 MET 65 HB1 MET 65 -5.871 -7.681 -3.435 449 HG2 MET 65 HG2 MET 65 -6.493 -8.782 -1.379 450 HG3 MET 65 HG1 MET 65 -7.196 -7.291 -0.754 451 HE1 MET 65 HE1 MET 65 -7.435 -10.045 -3.530 452 HE2 MET 65 HE2 MET 65 -7.495 -8.562 -4.482 453 HE3 MET 65 HE3 MET 65 -8.921 -9.593 -4.365 454 H CYS 66 HN CYS 66 -4.240 -4.090 -1.982 455 HA CYS 66 HA CYS 66 -2.110 -4.181 -3.852 456 HB2 CYS 66 HB2 CYS 66 -3.102 -3.261 -5.783 457 HB3 CYS 66 HB1 CYS 66 -4.254 -4.489 -5.271 458 HA PRO 67 HA PRO 67 -1.258 -0.326 -1.934 459 HB2 PRO 67 HB2 PRO 67 -0.330 0.862 -4.469 460 HB3 PRO 67 HB1 PRO 67 0.587 0.477 -3.010 461 HG2 PRO 67 HG2 PRO 67 0.896 -0.958 -5.235 462 HG3 PRO 67 HG1 PRO 67 0.912 -1.730 -3.636 463 HD2 PRO 67 HD2 PRO 67 -1.350 -1.572 -5.624 464 HD3 PRO 67 HD1 PRO 67 -0.757 -2.981 -4.709 465 H SER 68 HN SER 68 -3.891 -0.448 -3.790 466 HA SER 68 HA SER 68 -4.342 2.362 -4.212 467 HB2 SER 68 HB2 SER 68 -6.314 0.064 -4.226 468 HB3 SER 68 HB1 SER 68 -6.649 1.707 -4.769 469 HG SER 68 HG SER 68 -6.102 0.733 -6.608 470 H SER 69 HN SER 69 -3.902 3.205 -2.159 471 HA SER 69 HA SER 69 -5.791 2.582 -0.023 472 HB2 SER 69 HB2 SER 69 -4.172 4.434 1.060 473 HB3 SER 69 HB1 SER 69 -3.721 2.726 0.986 474 HG SER 69 HG SER 69 -2.803 4.903 -0.524 475 H PHE 70 HN PHE 70 -7.079 4.265 0.971 476 HA PHE 70 HA PHE 70 -7.384 6.688 -0.656 477 HB2 PHE 70 HB2 PHE 70 -9.682 4.886 0.146 478 HB3 PHE 70 HB1 PHE 70 -9.823 6.430 -0.696 479 HD1 PHE 70 HD1 PHE 70 -8.522 6.589 -2.952 480 HD2 PHE 70 HD2 PHE 70 -9.655 2.942 -1.083 481 HE1 PHE 70 HE1 PHE 70 -8.356 5.437 -5.118 482 HE2 PHE 70 HE2 PHE 70 -9.492 1.779 -3.246 483 HZ PHE 70 HZ PHE 70 -8.839 3.006 -5.257 484 H CYS 71 HN CYS 71 -8.353 8.429 0.400 485 HA CYS 71 HA CYS 71 -7.964 8.524 3.246 486 HB2 CYS 71 HB2 CYS 71 -8.551 10.872 3.032 487 HB3 CYS 71 HB1 CYS 71 -7.461 10.433 1.718 488 H LYS 72 HN LYS 72 -9.837 9.771 4.499 489 HA LYS 72 HA LYS 72 -11.942 8.012 4.893 490 HB2 LYS 72 HB2 LYS 72 -11.825 10.975 5.448 491 HB3 LYS 72 HB1 LYS 72 -13.079 9.907 6.054 492 HG2 LYS 72 HG2 LYS 72 -11.423 8.648 7.310 493 HG3 LYS 72 HG1 LYS 72 -10.144 9.684 6.673 494 HD2 LYS 72 HD2 LYS 72 -11.181 11.623 7.737 495 HD3 LYS 72 HD1 LYS 72 -12.464 10.591 8.371 496 HE2 LYS 72 HE2 LYS 72 -10.839 9.339 9.669 497 HE3 LYS 72 HE1 LYS 72 -9.531 10.308 8.997 498 HZ1 LYS 72 HZ1 LYS 72 -11.750 11.350 10.673 499 HZ2 LYS 72 HZ2 LYS 72 -10.464 12.257 10.059 500 HZ3 LYS 72 HZ3 LYS 72 -10.174 11.055 11.210 501 H GLN 73 HN GLN 73 -11.776 10.854 2.832 502 HA GLN 73 HA GLN 73 -14.550 10.898 2.197 503 HB2 GLN 73 HB2 GLN 73 -13.021 12.873 2.148 504 HB3 GLN 73 HB1 GLN 73 -12.261 12.190 0.719 505 HG2 GLN 73 HG2 GLN 73 -14.383 12.328 -0.475 506 HG3 GLN 73 HG1 GLN 73 -15.146 13.014 0.956 507 HE21 GLN 73 HE21 GLN 73 -11.885 13.792 -0.055 508 HE22 GLN 73 HE22 GLN 73 -12.212 15.428 -0.508 509 H HIS 74 HN HIS 74 -11.654 9.765 0.486 510 HA HIS 74 HA HIS 74 -13.298 9.068 -1.818 511 HB2 HIS 74 HB2 HIS 74 -10.295 9.041 -1.446 512 HB3 HIS 74 HB1 HIS 74 -11.123 8.587 -2.941 513 HD2 HIS 74 HD2 HIS 74 -13.286 11.075 -2.881 514 HE1 HIS 74 HE1 HIS 74 -9.797 13.438 -3.041 515 HE2 HIS 74 HE2 HIS 74 -12.320 13.447 -3.265 516 H ARG 75 HN ARG 75 -12.645 7.482 0.943 517 HA ARG 75 HA ARG 75 -12.070 4.914 -0.266 518 HB2 ARG 75 HB2 ARG 75 -12.036 4.002 1.935 519 HB3 ARG 75 HB1 ARG 75 -11.171 5.528 1.977 520 HG2 ARG 75 HG2 ARG 75 -13.174 6.601 2.926 521 HG3 ARG 75 HG1 ARG 75 -13.971 5.024 2.951 522 HD2 ARG 75 HD2 ARG 75 -12.072 4.185 4.341 523 HD3 ARG 75 HD1 ARG 75 -11.481 5.836 4.443 524 HE ARG 75 HE ARG 75 -13.829 6.259 5.437 525 HH11 ARG 75 HH11 ARG 75 -11.927 3.358 5.859 526 HH12 ARG 75 HH12 ARG 75 -12.576 2.998 7.424 527 HH21 ARG 75 HH21 ARG 75 -14.699 5.786 7.505 528 HH22 ARG 75 HH22 ARG 75 -14.161 4.375 8.359 529 H GLU 76 HN GLU 76 -14.821 6.746 0.711 530 HA GLU 76 HA GLU 76 -16.657 4.605 0.948 531 HB2 GLU 76 HB2 GLU 76 -17.046 7.531 0.322 532 HB3 GLU 76 HB1 GLU 76 -18.382 6.406 0.521 533 HG2 GLU 76 HG2 GLU 76 -17.599 5.930 2.809 534 HG3 GLU 76 HG1 GLU 76 -16.325 7.130 2.601 535 H GLY 77 HN GLY 77 -17.484 3.346 -0.594 536 HA2 GLY 77 HA2 GLY 77 -18.362 2.770 -2.665 537 HA3 GLY 77 HA1 GLY 77 -17.932 4.367 -3.264 538 H MET 78 HN MET 78 -15.141 3.587 -1.985 539 HA MET 78 HA MET 78 -14.220 2.295 -4.465 540 HB2 MET 78 HB2 MET 78 -12.744 4.137 -2.571 541 HB3 MET 78 HB1 MET 78 -11.999 3.321 -3.939 542 HG2 MET 78 HG2 MET 78 -14.268 5.304 -4.118 543 HG3 MET 78 HG1 MET 78 -12.569 5.657 -4.438 544 HE1 MET 78 HE1 MET 78 -13.219 6.633 -6.838 545 HE2 MET 78 HE2 MET 78 -14.911 6.295 -6.476 546 HE3 MET 78 HE3 MET 78 -14.210 5.755 -8.000 547 H LEU 79 HN LEU 79 -13.844 2.239 -0.938 548 HA LEU 79 HA LEU 79 -12.522 -0.377 -1.242 549 HB2 LEU 79 HB2 LEU 79 -11.076 1.544 -0.415 550 HB3 LEU 79 HB1 LEU 79 -12.090 1.575 1.015 551 HG LEU 79 HG LEU 79 -11.391 -0.744 1.536 552 HD11 LEU 79 HD11 LEU 79 -9.517 -0.360 -0.792 553 HD12 LEU 79 HD12 LEU 79 -10.854 -1.503 -0.716 554 HD13 LEU 79 HD13 LEU 79 -9.471 -1.694 0.357 555 HD21 LEU 79 HD21 LEU 79 -9.101 -0.163 2.200 556 HD22 LEU 79 HD22 LEU 79 -10.244 1.132 2.545 557 HD23 LEU 79 HD23 LEU 79 -9.170 1.252 1.153 558 H PHE 80 HN PHE 80 -13.264 -2.028 0.032 559 HA PHE 80 HA PHE 80 -15.109 -1.494 2.207 560 HB2 PHE 80 HB2 PHE 80 -16.774 -3.140 1.258 561 HB3 PHE 80 HB1 PHE 80 -16.682 -1.609 0.404 562 HD1 PHE 80 HD1 PHE 80 -16.030 -1.512 -1.886 563 HD2 PHE 80 HD2 PHE 80 -15.763 -5.183 0.265 564 HE1 PHE 80 HE1 PHE 80 -15.641 -2.719 -3.990 565 HE2 PHE 80 HE2 PHE 80 -15.375 -6.382 -1.836 566 HZ PHE 80 HZ PHE 80 -15.371 -5.150 -3.984 567 H ILE 81 HN ILE 81 -15.661 -3.560 3.369 568 HA ILE 81 HA ILE 81 -13.290 -5.186 3.630 569 HB ILE 81 HB ILE 81 -15.933 -5.200 5.077 570 HG12 ILE 81 HG12 ILE 81 -14.285 -3.386 5.572 571 HG13 ILE 81 HG11 ILE 81 -14.659 -4.402 6.958 572 HG21 ILE 81 HG21 ILE 81 -13.584 -7.039 5.485 573 HG22 ILE 81 HG22 ILE 81 -15.214 -7.492 4.981 574 HG23 ILE 81 HG23 ILE 81 -14.935 -6.864 6.606 575 HD11 ILE 81 HD11 ILE 81 -12.186 -4.527 5.255 576 HD12 ILE 81 HD12 ILE 81 -12.570 -5.644 6.565 577 HD13 ILE 81 HD13 ILE 81 -12.312 -3.934 6.911 578 H SER 82 HN SER 82 -12.920 -7.073 2.706 579 HA SER 82 HA SER 82 -14.682 -8.274 0.855 580 HB2 SER 82 HB2 SER 82 -12.342 -8.642 0.566 581 HB3 SER 82 HB1 SER 82 -12.159 -9.232 2.213 582 HG SER 82 HG SER 82 -13.317 -10.506 -0.024 583 H LYS 83 HN LYS 83 -16.394 -9.508 1.243 584 HA LYS 83 HA LYS 83 -17.060 -10.354 3.882 585 HB2 LYS 83 HB2 LYS 83 -18.298 -11.022 1.210 586 HB3 LYS 83 HB1 LYS 83 -18.989 -11.451 2.771 587 HG2 LYS 83 HG2 LYS 83 -19.241 -9.130 3.354 588 HG3 LYS 83 HG1 LYS 83 -18.421 -8.637 1.873 589 HD2 LYS 83 HD2 LYS 83 -20.224 -9.634 0.551 590 HD3 LYS 83 HD1 LYS 83 -21.038 -10.123 2.037 591 HE2 LYS 83 HE2 LYS 83 -21.266 -7.795 2.697 592 HE3 LYS 83 HE1 LYS 83 -20.410 -7.283 1.246 593 HZ1 LYS 83 HZ1 LYS 83 -22.824 -7.087 1.037 594 HZ2 LYS 83 HZ2 LYS 83 -22.984 -8.753 1.258 595 HZ3 LYS 83 HZ3 LYS 83 -22.178 -8.157 -0.101 596 H LEU 84 HN LEU 84 -15.240 -11.683 1.336 597 HA LEU 84 HA LEU 84 -15.501 -14.425 2.210 598 HB2 LEU 84 HB2 LEU 84 -13.683 -13.149 0.178 599 HB3 LEU 84 HB1 LEU 84 -13.839 -14.873 0.445 600 HG LEU 84 HG LEU 84 -16.046 -13.055 -0.531 601 HD11 LEU 84 HD11 LEU 84 -15.754 -14.237 -2.665 602 HD12 LEU 84 HD12 LEU 84 -14.344 -15.061 -2.000 603 HD13 LEU 84 HD13 LEU 84 -14.325 -13.311 -2.210 604 HD21 LEU 84 HD21 LEU 84 -15.936 -16.047 -0.179 605 HD22 LEU 84 HD22 LEU 84 -17.224 -15.172 -1.003 606 HD23 LEU 84 HD23 LEU 84 -16.948 -14.915 0.718 607 H ASP 85 HN ASP 85 -12.840 -12.036 2.035 608 HA ASP 85 HA ASP 85 -11.239 -13.833 3.716 609 HB2 ASP 85 HB2 ASP 85 -10.404 -11.454 2.054 610 HB3 ASP 85 HB1 ASP 85 -9.312 -12.399 3.056 611 H GLY 86 HN GLY 86 -12.956 -10.891 3.910 612 HA2 GLY 86 HA2 GLY 86 -13.296 -9.535 5.759 613 HA3 GLY 86 HA1 GLY 86 -12.076 -10.456 6.626 614 H ARG 87 HN ARG 87 -10.746 -9.690 3.756 615 HA ARG 87 HA ARG 87 -9.079 -7.632 4.913 616 HB2 ARG 87 HB2 ARG 87 -9.048 -8.897 2.166 617 HB3 ARG 87 HB1 ARG 87 -7.802 -7.841 2.816 618 HG2 ARG 87 HG2 ARG 87 -7.281 -9.490 4.528 619 HG3 ARG 87 HG1 ARG 87 -8.551 -10.546 3.908 620 HD2 ARG 87 HD2 ARG 87 -7.384 -10.603 1.733 621 HD3 ARG 87 HD1 ARG 87 -6.089 -9.635 2.431 622 HE ARG 87 HE ARG 87 -6.063 -11.672 4.099 623 HH11 ARG 87 HH11 ARG 87 -6.421 -11.714 0.617 624 HH12 ARG 87 HH12 ARG 87 -5.656 -13.257 0.428 625 HH21 ARG 87 HH21 ARG 87 -5.054 -13.715 3.852 626 HH22 ARG 87 HH22 ARG 87 -4.882 -14.400 2.265 627 H LEU 88 HN LEU 88 -8.899 -5.517 4.166 628 HA LEU 88 HA LEU 88 -11.146 -4.326 2.909 629 HB2 LEU 88 HB2 LEU 88 -8.349 -3.340 3.420 630 HB3 LEU 88 HB1 LEU 88 -9.562 -2.355 2.638 631 HG LEU 88 HG LEU 88 -10.089 -3.548 5.334 632 HD11 LEU 88 HD11 LEU 88 -8.719 -0.920 4.781 633 HD12 LEU 88 HD12 LEU 88 -7.949 -2.346 5.475 634 HD13 LEU 88 HD13 LEU 88 -9.231 -1.518 6.360 635 HD21 LEU 88 HD21 LEU 88 -11.972 -2.581 4.132 636 HD22 LEU 88 HD22 LEU 88 -11.070 -1.084 3.896 637 HD23 LEU 88 HD23 LEU 88 -11.549 -1.579 5.519 638 H SER 89 HN SER 89 -11.693 -4.453 0.839 639 HA SER 89 HA SER 89 -9.551 -4.839 -1.145 640 HB2 SER 89 HB2 SER 89 -10.807 -6.942 -0.736 641 HB3 SER 89 HB1 SER 89 -12.297 -6.121 -1.204 642 HG SER 89 HG SER 89 -10.243 -7.101 -2.761 643 H CYS 90 HN CYS 90 -9.671 -3.615 -2.949 644 HA CYS 90 HA CYS 90 -11.587 -1.430 -2.876 645 HB2 CYS 90 HB2 CYS 90 -10.115 -0.278 -4.381 646 HB3 CYS 90 HB1 CYS 90 -9.104 -1.050 -3.161 647 H THR 91 HN THR 91 -12.342 -0.609 -5.062 648 HA THR 91 HA THR 91 -13.908 -2.670 -6.270 649 HB THR 91 HB THR 91 -14.708 -0.706 -7.696 650 HG1 THR 91 HG1 THR 91 -14.065 1.331 -6.969 651 HG21 THR 91 HG21 THR 91 -16.023 0.222 -5.853 652 HG22 THR 91 HG22 THR 91 -14.928 -0.529 -4.691 653 HG23 THR 91 HG23 THR 91 -15.922 -1.534 -5.744 654 H GLU 92 HN GLU 92 -10.785 -1.765 -6.850 655 HA GLU 92 HA GLU 92 -10.876 -2.004 -9.739 656 HB2 GLU 92 HB2 GLU 92 -8.488 -1.899 -7.879 657 HB3 GLU 92 HB1 GLU 92 -8.425 -1.804 -9.631 658 HG2 GLU 92 HG2 GLU 92 -9.848 0.279 -9.443 659 HG3 GLU 92 HG1 GLU 92 -9.548 0.211 -7.710 660 H HIS 93 HN HIS 93 -11.441 -4.137 -7.484 661 HA HIS 93 HA HIS 93 -9.993 -6.312 -8.846 662 HB2 HIS 93 HB2 HIS 93 -10.962 -6.293 -5.976 663 HB3 HIS 93 HB1 HIS 93 -10.071 -7.589 -6.763 664 HD1 HIS 93 HD1 HIS 93 -8.058 -5.252 -8.068 665 HD2 HIS 93 HD2 HIS 93 -8.908 -6.143 -4.102 666 HE1 HIS 93 HE1 HIS 93 -6.113 -4.375 -6.704 667 H ASP 94 HN ASP 94 -12.233 -5.506 -10.009 668 HA ASP 94 HA ASP 94 -14.063 -7.716 -9.487 669 HB2 ASP 94 HB2 ASP 94 -14.999 -5.739 -8.319 670 HB3 ASP 94 HB1 ASP 94 -15.003 -4.868 -9.847 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 7.393 -5.866 18.075 2 H2 GLY 1 HT2 GLY 1 8.205 -5.412 16.664 3 H3 GLY 1 HT3 GLY 1 7.050 -6.642 16.614 4 HA2 GLY 1 HA1 GLY 1 5.300 -5.086 17.157 5 HA3 GLY 1 HA2 GLY 1 6.496 -3.801 17.248 6 H ALA 2 HN ALA 2 4.540 -3.258 15.587 7 HA ALA 2 HA ALA 2 4.908 -4.364 12.964 8 HB1 ALA 2 HB1 ALA 2 3.300 -1.961 13.816 9 HB2 ALA 2 HB2 ALA 2 2.708 -3.621 13.751 10 HB3 ALA 2 HB3 ALA 2 3.190 -2.797 12.267 11 H MET 3 HN MET 3 7.283 -3.802 13.039 12 HA MET 3 HA MET 3 7.628 -1.481 11.336 13 HB2 MET 3 HB2 MET 3 7.975 -0.727 13.755 14 HB3 MET 3 HB1 MET 3 9.404 -1.749 13.763 15 HG2 MET 3 HG2 MET 3 9.993 0.556 13.327 16 HG3 MET 3 HG1 MET 3 10.348 -0.453 11.925 17 HE1 MET 3 HE1 MET 3 9.344 2.924 10.246 18 HE2 MET 3 HE2 MET 3 10.559 1.648 10.347 19 HE3 MET 3 HE3 MET 3 10.265 2.699 11.732 20 H GLU 4 HN GLU 4 7.793 -4.466 11.381 21 HA GLU 4 HA GLU 4 10.614 -5.015 10.971 22 HB2 GLU 4 HB2 GLU 4 8.218 -6.832 10.709 23 HB3 GLU 4 HB1 GLU 4 9.899 -7.336 10.683 24 HG2 GLU 4 HG2 GLU 4 10.174 -6.663 12.981 25 HG3 GLU 4 HG1 GLU 4 8.525 -6.037 13.019 26 H ARG 5 HN ARG 5 11.548 -4.846 9.047 27 HA ARG 5 HA ARG 5 10.147 -4.185 6.693 28 HB2 ARG 5 HB2 ARG 5 12.427 -3.499 6.861 29 HB3 ARG 5 HB1 ARG 5 12.973 -5.148 7.149 30 HG2 ARG 5 HG2 ARG 5 12.147 -5.723 4.852 31 HG3 ARG 5 HG1 ARG 5 11.884 -4.000 4.591 32 HD2 ARG 5 HD2 ARG 5 14.131 -3.530 4.541 33 HD3 ARG 5 HD1 ARG 5 14.555 -4.934 5.522 34 HE ARG 5 HE ARG 5 14.024 -6.306 3.532 35 HH11 ARG 5 HH11 ARG 5 14.831 -2.924 3.083 36 HH12 ARG 5 HH12 ARG 5 15.397 -3.149 1.460 37 HH21 ARG 5 HH21 ARG 5 14.761 -6.613 1.418 38 HH22 ARG 5 HH22 ARG 5 15.363 -5.253 0.511 39 H GLU 6 HN GLU 6 9.071 -5.441 5.325 40 HA GLU 6 HA GLU 6 9.322 -8.316 5.374 41 HB2 GLU 6 HB2 GLU 6 7.155 -7.146 4.959 42 HB3 GLU 6 HB1 GLU 6 7.816 -6.518 3.456 43 HG2 GLU 6 HG2 GLU 6 6.356 -8.437 3.088 44 HG3 GLU 6 HG1 GLU 6 8.009 -8.757 2.565 45 H ASP 7 HN ASP 7 10.003 -9.562 3.474 46 HA ASP 7 HA ASP 7 11.756 -8.007 1.692 47 HB2 ASP 7 HB2 ASP 7 12.418 -10.357 3.325 48 HB3 ASP 7 HB1 ASP 7 12.953 -10.449 1.649 49 H GLU 8 HN GLU 8 9.132 -8.539 1.155 50 HA GLU 8 HA GLU 8 9.461 -9.756 -1.435 51 HB2 GLU 8 HB2 GLU 8 8.786 -11.646 0.057 52 HB3 GLU 8 HB1 GLU 8 7.323 -10.759 0.459 53 HG2 GLU 8 HG2 GLU 8 6.584 -10.873 -1.839 54 HG3 GLU 8 HG1 GLU 8 8.084 -11.678 -2.304 55 H CYS 9 HN CYS 9 8.003 -8.856 -2.936 56 HA CYS 9 HA CYS 9 6.930 -6.328 -2.021 57 HB2 CYS 9 HB2 CYS 9 8.171 -6.412 -4.123 58 HB3 CYS 9 HB1 CYS 9 7.026 -7.588 -4.766 59 H PHE 10 HN PHE 10 4.903 -6.043 -1.412 60 HA PHE 10 HA PHE 10 2.939 -8.077 -1.596 61 HB2 PHE 10 HB2 PHE 10 2.890 -6.523 0.249 62 HB3 PHE 10 HB1 PHE 10 2.746 -5.150 -0.841 63 HD1 PHE 10 HD1 PHE 10 0.655 -4.255 -1.223 64 HD2 PHE 10 HD2 PHE 10 0.975 -8.296 0.075 65 HE1 PHE 10 HE1 PHE 10 -1.793 -4.389 -1.046 66 HE2 PHE 10 HE2 PHE 10 -1.471 -8.434 0.253 67 HZ PHE 10 HZ PHE 10 -2.858 -6.456 -0.322 68 H SER 11 HN SER 11 3.840 -5.487 -3.705 69 HA SER 11 HA SER 11 1.343 -5.342 -5.104 70 HB2 SER 11 HB2 SER 11 4.060 -4.403 -6.035 71 HB3 SER 11 HB1 SER 11 2.489 -3.862 -6.626 72 HG SER 11 HG SER 11 2.511 -2.451 -5.096 73 H CYS 12 HN CYS 12 4.300 -7.190 -5.455 74 HA CYS 12 HA CYS 12 3.343 -8.155 -8.071 75 HB2 CYS 12 HB2 CYS 12 6.203 -7.993 -7.107 76 HB3 CYS 12 HB1 CYS 12 5.664 -8.462 -8.719 77 H GLY 13 HN GLY 13 4.488 -9.088 -4.919 78 HA2 GLY 13 HA2 GLY 13 4.300 -11.189 -3.922 79 HA3 GLY 13 HA1 GLY 13 3.913 -11.879 -5.494 80 H ASP 14 HN ASP 14 6.493 -10.009 -6.055 81 HA ASP 14 HA ASP 14 8.350 -12.266 -5.758 82 HB2 ASP 14 HB2 ASP 14 8.145 -10.045 -7.773 83 HB3 ASP 14 HB1 ASP 14 9.671 -10.885 -7.527 84 H ALA 15 HN ALA 15 10.630 -11.699 -5.380 85 HA ALA 15 HA ALA 15 10.876 -9.303 -3.692 86 HB1 ALA 15 HB1 ALA 15 12.465 -10.499 -2.323 87 HB2 ALA 15 HB2 ALA 15 12.323 -11.919 -3.359 88 HB3 ALA 15 HB3 ALA 15 10.943 -11.387 -2.401 89 H GLY 16 HN GLY 16 13.026 -8.354 -3.610 90 HA2 GLY 16 HA2 GLY 16 15.199 -8.835 -5.152 91 HA3 GLY 16 HA1 GLY 16 14.066 -8.105 -6.281 92 H GLN 17 HN GLN 17 14.453 -5.993 -6.549 93 HA GLN 17 HA GLN 17 15.855 -4.473 -4.549 94 HB2 GLN 17 HB2 GLN 17 16.196 -4.052 -6.966 95 HB3 GLN 17 HB1 GLN 17 14.531 -3.499 -7.087 96 HG2 GLN 17 HG2 GLN 17 15.046 -1.718 -5.456 97 HG3 GLN 17 HG1 GLN 17 16.728 -2.242 -5.462 98 HE21 GLN 17 HE21 GLN 17 17.453 -0.266 -6.216 99 HE22 GLN 17 HE22 GLN 17 17.199 0.251 -7.850 100 H LEU 18 HN LEU 18 14.420 -4.694 -2.804 101 HA LEU 18 HA LEU 18 11.815 -3.400 -3.075 102 HB2 LEU 18 HB2 LEU 18 12.927 -5.085 -0.834 103 HB3 LEU 18 HB1 LEU 18 11.292 -4.451 -0.925 104 HG LEU 18 HG LEU 18 12.372 -6.286 -3.035 105 HD11 LEU 18 HD11 LEU 18 12.616 -7.430 -0.908 106 HD12 LEU 18 HD12 LEU 18 11.311 -8.132 -1.861 107 HD13 LEU 18 HD13 LEU 18 10.939 -7.062 -0.511 108 HD21 LEU 18 HD21 LEU 18 9.590 -5.640 -2.108 109 HD22 LEU 18 HD22 LEU 18 10.025 -6.722 -3.427 110 HD23 LEU 18 HD23 LEU 18 10.371 -4.999 -3.551 111 H VAL 19 HN VAL 19 11.360 -1.538 -2.152 112 HA VAL 19 HA VAL 19 13.335 -0.341 -0.342 113 HB VAL 19 HB VAL 19 12.972 1.056 -2.264 114 HG11 VAL 19 HG11 VAL 19 10.733 1.990 -2.798 115 HG12 VAL 19 HG12 VAL 19 10.030 0.844 -1.654 116 HG13 VAL 19 HG13 VAL 19 10.873 0.257 -3.088 117 HG21 VAL 19 HG21 VAL 19 11.517 2.148 0.133 118 HG22 VAL 19 HG22 VAL 19 12.115 3.113 -1.215 119 HG23 VAL 19 HG23 VAL 19 13.248 2.240 -0.184 120 H SER 20 HN SER 20 12.792 0.022 1.724 121 HA SER 20 HA SER 20 10.167 -1.002 2.518 122 HB2 SER 20 HB2 SER 20 12.189 -2.170 3.355 123 HB3 SER 20 HB1 SER 20 12.668 -0.694 4.189 124 HG SER 20 HG SER 20 11.274 -1.115 5.707 125 H CYS 21 HN CYS 21 9.027 -0.054 4.236 126 HA CYS 21 HA CYS 21 8.918 2.807 3.951 127 HB2 CYS 21 HB2 CYS 21 6.980 1.049 4.136 128 HB3 CYS 21 HB1 CYS 21 7.237 1.223 5.872 129 H LYS 22 HN LYS 22 9.279 4.342 5.560 130 HA LYS 22 HA LYS 22 10.655 3.342 7.971 131 HB2 LYS 22 HB2 LYS 22 10.914 6.023 6.592 132 HB3 LYS 22 HB1 LYS 22 11.784 5.532 8.039 133 HG2 LYS 22 HG2 LYS 22 12.006 4.092 5.412 134 HG3 LYS 22 HG1 LYS 22 13.079 5.405 5.895 135 HD2 LYS 22 HD2 LYS 22 13.829 4.130 7.812 136 HD3 LYS 22 HD1 LYS 22 12.678 2.844 7.443 137 HE2 LYS 22 HE2 LYS 22 14.985 2.321 6.716 138 HE3 LYS 22 HE1 LYS 22 13.827 2.337 5.388 139 HZ1 LYS 22 HZ1 LYS 22 14.587 4.549 4.793 140 HZ2 LYS 22 HZ2 LYS 22 15.881 3.461 4.797 141 HZ3 LYS 22 HZ3 LYS 22 15.688 4.546 6.076 142 H LYS 23 HN LYS 23 7.800 3.585 7.639 143 HA LYS 23 HA LYS 23 7.217 5.696 9.601 144 HB2 LYS 23 HB2 LYS 23 6.179 5.957 7.304 145 HB3 LYS 23 HB1 LYS 23 5.270 4.487 7.629 146 HG2 LYS 23 HG2 LYS 23 4.133 5.535 9.474 147 HG3 LYS 23 HG1 LYS 23 5.122 6.984 9.307 148 HD2 LYS 23 HD2 LYS 23 4.198 7.262 7.004 149 HD3 LYS 23 HD1 LYS 23 3.102 5.916 7.338 150 HE2 LYS 23 HE2 LYS 23 1.912 7.955 7.730 151 HE3 LYS 23 HE1 LYS 23 2.239 7.202 9.291 152 HZ1 LYS 23 HZ1 LYS 23 4.045 8.711 9.648 153 HZ2 LYS 23 HZ2 LYS 23 2.660 9.606 9.267 154 HZ3 LYS 23 HZ3 LYS 23 3.869 9.384 8.101 155 HA PRO 24 HA PRO 24 6.459 2.327 12.352 156 HB2 PRO 24 HB2 PRO 24 4.826 3.633 14.140 157 HB3 PRO 24 HB1 PRO 24 6.589 3.756 14.128 158 HG2 PRO 24 HG2 PRO 24 4.548 5.614 12.979 159 HG3 PRO 24 HG1 PRO 24 6.032 5.995 13.874 160 HD2 PRO 24 HD2 PRO 24 5.920 6.205 11.197 161 HD3 PRO 24 HD1 PRO 24 7.391 5.635 12.016 162 H GLY 25 HN GLY 25 5.056 0.684 12.343 163 HA2 GLY 25 HA2 GLY 25 2.899 -0.283 12.521 164 HA3 GLY 25 HA1 GLY 25 2.206 1.220 11.916 165 H CYS 26 HN CYS 26 4.953 0.140 10.215 166 HA CYS 26 HA CYS 26 3.247 -1.045 8.129 167 HB2 CYS 26 HB2 CYS 26 4.090 1.423 7.881 168 HB3 CYS 26 HB1 CYS 26 5.625 0.655 7.481 169 HA PRO 27 HA PRO 27 6.761 -3.906 8.260 170 HB2 PRO 27 HB2 PRO 27 5.369 -6.163 8.419 171 HB3 PRO 27 HB1 PRO 27 5.451 -5.082 9.817 172 HG2 PRO 27 HG2 PRO 27 3.220 -5.541 7.904 173 HG3 PRO 27 HG1 PRO 27 3.154 -5.138 9.633 174 HD2 PRO 27 HD2 PRO 27 2.919 -3.344 7.414 175 HD3 PRO 27 HD1 PRO 27 2.984 -2.930 9.144 176 H LYS 28 HN LYS 28 5.369 -2.652 5.898 177 HA LYS 28 HA LYS 28 5.236 -4.931 4.040 178 HB2 LYS 28 HB2 LYS 28 3.468 -2.797 4.491 179 HB3 LYS 28 HB1 LYS 28 4.260 -2.420 2.957 180 HG2 LYS 28 HG2 LYS 28 2.188 -3.653 2.602 181 HG3 LYS 28 HG1 LYS 28 3.585 -4.588 2.062 182 HD2 LYS 28 HD2 LYS 28 3.505 -5.960 4.035 183 HD3 LYS 28 HD1 LYS 28 2.260 -4.933 4.752 184 HE2 LYS 28 HE2 LYS 28 0.664 -5.603 3.106 185 HE3 LYS 28 HE1 LYS 28 1.895 -6.454 2.179 186 HZ1 LYS 28 HZ1 LYS 28 0.549 -7.984 3.462 187 HZ2 LYS 28 HZ2 LYS 28 0.955 -7.190 4.896 188 HZ3 LYS 28 HZ3 LYS 28 2.146 -8.007 4.018 189 H VAL 29 HN VAL 29 6.139 -4.666 1.900 190 HA VAL 29 HA VAL 29 8.068 -2.494 1.551 191 HB VAL 29 HB VAL 29 9.126 -4.594 2.645 192 HG11 VAL 29 HG11 VAL 29 8.904 -5.536 -0.192 193 HG12 VAL 29 HG12 VAL 29 8.162 -6.273 1.225 194 HG13 VAL 29 HG13 VAL 29 9.917 -6.267 1.047 195 HG21 VAL 29 HG21 VAL 29 10.241 -3.210 0.239 196 HG22 VAL 29 HG22 VAL 29 11.181 -4.329 1.224 197 HG23 VAL 29 HG23 VAL 29 10.528 -2.860 1.943 198 H TYR 30 HN TYR 30 8.771 -2.289 -0.696 199 HA TYR 30 HA TYR 30 7.176 -3.727 -2.687 200 HB2 TYR 30 HB2 TYR 30 7.104 -0.707 -2.447 201 HB3 TYR 30 HB1 TYR 30 6.299 -1.671 -3.678 202 HD1 TYR 30 HD1 TYR 30 4.439 -3.249 -2.919 203 HD2 TYR 30 HD2 TYR 30 6.017 -0.167 -0.447 204 HE1 TYR 30 HE1 TYR 30 2.408 -3.316 -1.543 205 HE2 TYR 30 HE2 TYR 30 3.990 -0.237 0.943 206 HH TYR 30 HH TYR 30 1.625 -0.935 0.717 207 H HIS 31 HN HIS 31 7.832 -3.059 -4.926 208 HA HIS 31 HA HIS 31 10.668 -2.399 -5.083 209 HB2 HIS 31 HB2 HIS 31 8.719 -2.924 -7.350 210 HB3 HIS 31 HB1 HIS 31 10.471 -2.813 -7.485 211 HD2 HIS 31 HD2 HIS 31 11.677 -4.936 -5.700 212 HE1 HIS 31 HE1 HIS 31 8.601 -7.558 -6.960 213 HE2 HIS 31 HE2 HIS 31 11.010 -7.407 -6.168 214 H ALA 32 HN ALA 32 11.448 -0.521 -5.977 215 HA ALA 32 HA ALA 32 9.839 1.788 -5.882 216 HB1 ALA 32 HB1 ALA 32 11.782 2.943 -6.821 217 HB2 ALA 32 HB2 ALA 32 12.528 1.386 -7.181 218 HB3 ALA 32 HB3 ALA 32 12.240 1.861 -5.507 219 H ASP 33 HN ASP 33 10.698 -0.433 -8.410 220 HA ASP 33 HA ASP 33 9.992 1.149 -10.639 221 HB2 ASP 33 HB2 ASP 33 11.396 -0.843 -10.861 222 HB3 ASP 33 HB1 ASP 33 10.052 -1.864 -10.365 223 H CYS 34 HN CYS 34 8.117 -1.243 -8.769 224 HA CYS 34 HA CYS 34 5.868 -1.016 -10.540 225 HB2 CYS 34 HB2 CYS 34 4.734 -2.443 -8.739 226 HB3 CYS 34 HB1 CYS 34 6.130 -3.155 -9.540 227 H LEU 35 HN LEU 35 6.991 0.692 -7.825 228 HA LEU 35 HA LEU 35 4.410 1.879 -7.221 229 HB2 LEU 35 HB2 LEU 35 7.193 2.479 -6.235 230 HB3 LEU 35 HB1 LEU 35 5.757 3.315 -5.685 231 HG LEU 35 HG LEU 35 6.198 0.353 -5.351 232 HD11 LEU 35 HD11 LEU 35 6.576 1.035 -2.951 233 HD12 LEU 35 HD12 LEU 35 6.777 2.681 -3.548 234 HD13 LEU 35 HD13 LEU 35 7.879 1.410 -4.077 235 HD21 LEU 35 HD21 LEU 35 4.397 0.573 -3.692 236 HD22 LEU 35 HD22 LEU 35 3.854 1.007 -5.313 237 HD23 LEU 35 HD23 LEU 35 4.211 2.270 -4.134 238 H ASN 36 HN ASN 36 6.672 2.225 -9.582 239 HA ASN 36 HA ASN 36 7.102 3.736 -11.197 240 HB2 ASN 36 HB2 ASN 36 4.606 5.066 -10.136 241 HB3 ASN 36 HB1 ASN 36 5.428 5.530 -11.620 242 HD21 ASN 36 HD21 ASN 36 2.724 4.578 -11.266 243 HD22 ASN 36 HD22 ASN 36 2.579 3.152 -12.230 244 H LEU 37 HN LEU 37 8.343 4.015 -8.625 245 HA LEU 37 HA LEU 37 8.460 6.794 -7.957 246 HB2 LEU 37 HB2 LEU 37 10.228 4.484 -7.172 247 HB3 LEU 37 HB1 LEU 37 10.392 6.107 -6.530 248 HG LEU 37 HG LEU 37 8.037 4.255 -6.153 249 HD11 LEU 37 HD11 LEU 37 8.684 4.159 -3.866 250 HD12 LEU 37 HD12 LEU 37 9.923 5.387 -4.104 251 HD13 LEU 37 HD13 LEU 37 10.117 3.792 -4.829 252 HD21 LEU 37 HD21 LEU 37 7.252 6.536 -6.352 253 HD22 LEU 37 HD22 LEU 37 8.455 7.076 -5.181 254 HD23 LEU 37 HD23 LEU 37 7.150 6.003 -4.676 255 H THR 38 HN THR 38 9.139 8.039 -9.629 256 HA THR 38 HA THR 38 11.233 7.393 -11.399 257 HB THR 38 HB THR 38 10.388 10.196 -10.695 258 HG1 THR 38 HG1 THR 38 9.007 8.206 -12.187 259 HG21 THR 38 HG21 THR 38 10.775 10.581 -13.085 260 HG22 THR 38 HG22 THR 38 11.234 8.890 -13.281 261 HG23 THR 38 HG23 THR 38 12.221 9.963 -12.289 262 H LYS 39 HN LYS 39 11.107 9.149 -8.350 263 HA LYS 39 HA LYS 39 14.027 9.387 -8.378 264 HB2 LYS 39 HB2 LYS 39 12.925 11.493 -7.962 265 HB3 LYS 39 HB1 LYS 39 11.932 10.772 -6.700 266 HG2 LYS 39 HG2 LYS 39 14.043 10.305 -5.435 267 HG3 LYS 39 HG1 LYS 39 14.896 11.267 -6.643 268 HD2 LYS 39 HD2 LYS 39 13.653 13.226 -6.058 269 HD3 LYS 39 HD1 LYS 39 12.574 12.293 -5.018 270 HE2 LYS 39 HE2 LYS 39 15.523 12.762 -4.587 271 HE3 LYS 39 HE1 LYS 39 14.203 13.500 -3.684 272 HZ1 LYS 39 HZ1 LYS 39 14.879 10.607 -3.743 273 HZ2 LYS 39 HZ2 LYS 39 13.558 11.278 -2.926 274 HZ3 LYS 39 HZ3 LYS 39 15.133 11.671 -2.451 275 H ARG 40 HN ARG 40 15.246 8.341 -6.877 276 HA ARG 40 HA ARG 40 14.015 6.241 -5.366 277 HB2 ARG 40 HB2 ARG 40 16.870 7.221 -5.463 278 HB3 ARG 40 HB1 ARG 40 16.339 5.805 -4.567 279 HG2 ARG 40 HG2 ARG 40 15.581 4.783 -6.665 280 HG3 ARG 40 HG1 ARG 40 16.173 6.192 -7.545 281 HD2 ARG 40 HD2 ARG 40 18.437 5.740 -6.764 282 HD3 ARG 40 HD1 ARG 40 17.853 4.352 -5.846 283 HE ARG 40 HE ARG 40 17.286 4.289 -8.688 284 HH11 ARG 40 HH11 ARG 40 19.465 3.348 -6.119 285 HH12 ARG 40 HH12 ARG 40 20.209 2.078 -7.037 286 HH21 ARG 40 HH21 ARG 40 18.251 2.619 -9.904 287 HH22 ARG 40 HH22 ARG 40 19.511 1.658 -9.197 288 HA PRO 41 HA PRO 41 13.351 8.813 -1.797 289 HB2 PRO 41 HB2 PRO 41 12.366 6.904 -0.171 290 HB3 PRO 41 HB1 PRO 41 11.428 7.583 -1.504 291 HG2 PRO 41 HG2 PRO 41 12.946 5.010 -1.363 292 HG3 PRO 41 HG1 PRO 41 11.339 5.326 -2.049 293 HD2 PRO 41 HD2 PRO 41 13.600 5.134 -3.571 294 HD3 PRO 41 HD1 PRO 41 12.209 6.137 -4.031 295 H ALA 42 HN ALA 42 14.612 9.386 -0.126 296 HA ALA 42 HA ALA 42 16.561 7.428 0.885 297 HB1 ALA 42 HB1 ALA 42 18.218 9.230 1.010 298 HB2 ALA 42 HB2 ALA 42 17.062 10.339 0.275 299 HB3 ALA 42 HB3 ALA 42 17.671 8.963 -0.644 300 H GLY 43 HN GLY 43 16.898 7.435 3.092 301 HA2 GLY 43 HA2 GLY 43 16.751 8.179 5.293 302 HA3 GLY 43 HA1 GLY 43 15.968 9.643 4.714 303 H LYS 44 HN LYS 44 14.043 9.836 5.628 304 HA LYS 44 HA LYS 44 12.507 7.483 6.339 305 HB2 LYS 44 HB2 LYS 44 12.590 9.397 7.892 306 HB3 LYS 44 HB1 LYS 44 11.846 10.419 6.671 307 HG2 LYS 44 HG2 LYS 44 9.842 8.990 6.726 308 HG3 LYS 44 HG1 LYS 44 10.588 8.027 8.001 309 HD2 LYS 44 HD2 LYS 44 10.013 10.981 8.190 310 HD3 LYS 44 HD1 LYS 44 8.969 9.716 8.832 311 HE2 LYS 44 HE2 LYS 44 10.831 8.953 10.264 312 HE3 LYS 44 HE1 LYS 44 11.808 10.293 9.666 313 HZ1 LYS 44 HZ1 LYS 44 9.258 10.540 11.165 314 HZ2 LYS 44 HZ2 LYS 44 10.171 11.831 10.574 315 HZ3 LYS 44 HZ3 LYS 44 10.801 10.835 11.785 316 H TRP 45 HN TRP 45 11.493 6.517 4.711 317 HA TRP 45 HA TRP 45 10.031 8.184 2.800 318 HB2 TRP 45 HB2 TRP 45 11.620 6.741 1.706 319 HB3 TRP 45 HB1 TRP 45 11.035 5.344 2.600 320 HD1 TRP 45 HD1 TRP 45 9.566 7.899 0.061 321 HE1 TRP 45 HE1 TRP 45 7.977 6.626 -1.503 322 HE3 TRP 45 HE3 TRP 45 9.898 3.264 2.179 323 HZ2 TRP 45 HZ2 TRP 45 6.996 3.999 -1.802 324 HZ3 TRP 45 HZ3 TRP 45 8.604 1.420 1.192 325 HH2 TRP 45 HH2 TRP 45 7.179 1.781 -0.756 326 H GLU 46 HN GLU 46 7.891 8.193 2.859 327 HA GLU 46 HA GLU 46 6.514 6.162 4.473 328 HB2 GLU 46 HB2 GLU 46 5.424 8.789 3.438 329 HB3 GLU 46 HB1 GLU 46 4.685 7.734 4.636 330 HG2 GLU 46 HG2 GLU 46 6.533 8.179 6.169 331 HG3 GLU 46 HG1 GLU 46 7.269 9.242 4.973 332 H CYS 47 HN CYS 47 5.687 4.519 3.303 333 HA CYS 47 HA CYS 47 5.612 4.498 0.500 334 HB2 CYS 47 HB2 CYS 47 4.614 2.345 0.639 335 HB3 CYS 47 HB1 CYS 47 5.683 2.471 2.029 336 HA PRO 48 HA PRO 48 1.873 6.568 -0.541 337 HB2 PRO 48 HB2 PRO 48 1.192 5.261 -2.837 338 HB3 PRO 48 HB1 PRO 48 2.511 6.437 -2.743 339 HG2 PRO 48 HG2 PRO 48 2.624 3.449 -2.684 340 HG3 PRO 48 HG1 PRO 48 3.673 4.594 -3.542 341 HD2 PRO 48 HD2 PRO 48 4.397 3.416 -1.216 342 HD3 PRO 48 HD1 PRO 48 4.922 5.058 -1.647 343 H TRP 49 HN TRP 49 1.964 3.419 0.491 344 HA TRP 49 HA TRP 49 -0.797 2.711 0.166 345 HB2 TRP 49 HB2 TRP 49 1.240 1.146 0.556 346 HB3 TRP 49 HB1 TRP 49 1.071 1.588 2.255 347 HD1 TRP 49 HD1 TRP 49 -1.798 0.712 -0.206 348 HE1 TRP 49 HE1 TRP 49 -3.060 -1.331 0.737 349 HE3 TRP 49 HE3 TRP 49 1.139 -0.250 3.886 350 HZ2 TRP 49 HZ2 TRP 49 -2.845 -3.087 2.925 351 HZ3 TRP 49 HZ3 TRP 49 0.530 -2.127 5.355 352 HH2 TRP 49 HH2 TRP 49 -1.424 -3.521 4.879 353 H HIS 50 HN HIS 50 0.817 4.960 2.028 354 HA HIS 50 HA HIS 50 -1.370 5.055 3.998 355 HB2 HIS 50 HB2 HIS 50 1.166 6.698 4.016 356 HB3 HIS 50 HB1 HIS 50 0.000 6.512 5.326 357 HD1 HIS 50 HD1 HIS 50 -0.101 3.350 5.325 358 HD2 HIS 50 HD2 HIS 50 3.313 5.706 5.206 359 HE1 HIS 50 HE1 HIS 50 1.773 1.946 6.299 360 H GLN 51 HN GLN 51 -0.864 6.094 1.018 361 HA GLN 51 HA GLN 51 -1.855 8.816 1.534 362 HB2 GLN 51 HB2 GLN 51 -0.086 7.954 -0.762 363 HB3 GLN 51 HB1 GLN 51 -0.703 9.578 -0.484 364 HG2 GLN 51 HG2 GLN 51 1.059 8.136 1.469 365 HG3 GLN 51 HG1 GLN 51 1.682 9.167 0.187 366 HE21 GLN 51 HE21 GLN 51 -0.156 9.096 3.176 367 HE22 GLN 51 HE22 GLN 51 0.009 10.779 3.526 368 H CYS 52 HN CYS 52 -3.576 9.489 0.434 369 HA CYS 52 HA CYS 52 -5.296 7.551 -0.694 370 HB2 CYS 52 HB2 CYS 52 -6.077 9.571 0.493 371 HB3 CYS 52 HB1 CYS 52 -5.448 10.569 -0.808 372 H ASP 53 HN ASP 53 -5.364 6.790 -2.693 373 HA ASP 53 HA ASP 53 -3.512 7.631 -4.665 374 HB2 ASP 53 HB2 ASP 53 -4.395 5.305 -4.450 375 HB3 ASP 53 HB1 ASP 53 -5.950 5.874 -5.050 376 H VAL 54 HN VAL 54 -6.561 8.837 -3.808 377 HA VAL 54 HA VAL 54 -7.140 9.868 -6.465 378 HB VAL 54 HB VAL 54 -8.688 10.216 -3.893 379 HG11 VAL 54 HG11 VAL 54 -9.093 12.043 -5.442 380 HG12 VAL 54 HG12 VAL 54 -10.505 10.989 -5.335 381 HG13 VAL 54 HG13 VAL 54 -9.433 10.888 -6.734 382 HG21 VAL 54 HG21 VAL 54 -10.259 8.618 -4.896 383 HG22 VAL 54 HG22 VAL 54 -8.670 7.902 -4.621 384 HG23 VAL 54 HG23 VAL 54 -9.149 8.392 -6.247 385 H CYS 55 HN CYS 55 -6.686 11.289 -3.184 386 HA CYS 55 HA CYS 55 -6.242 13.840 -4.564 387 HB2 CYS 55 HB2 CYS 55 -6.864 14.957 -2.486 388 HB3 CYS 55 HB1 CYS 55 -8.126 13.865 -3.037 389 H GLY 56 HN GLY 56 -4.502 11.454 -2.957 390 HA2 GLY 56 HA2 GLY 56 -2.207 11.405 -2.665 391 HA3 GLY 56 HA1 GLY 56 -2.156 13.123 -3.038 392 H LYS 57 HN LYS 57 -4.432 12.946 -0.703 393 HA LYS 57 HA LYS 57 -2.569 13.810 1.320 394 HB2 LYS 57 HB2 LYS 57 -5.565 13.460 1.482 395 HB3 LYS 57 HB1 LYS 57 -4.562 14.225 2.703 396 HG2 LYS 57 HG2 LYS 57 -3.884 15.900 0.969 397 HG3 LYS 57 HG1 LYS 57 -5.115 15.199 -0.086 398 HD2 LYS 57 HD2 LYS 57 -6.827 15.693 1.598 399 HD3 LYS 57 HD1 LYS 57 -5.594 16.407 2.638 400 HE2 LYS 57 HE2 LYS 57 -6.673 18.203 1.529 401 HE3 LYS 57 HE1 LYS 57 -5.100 18.007 0.761 402 HZ1 LYS 57 HZ1 LYS 57 -6.784 18.326 -0.895 403 HZ2 LYS 57 HZ2 LYS 57 -7.704 17.047 -0.288 404 HZ3 LYS 57 HZ3 LYS 57 -6.205 16.744 -1.012 405 H GLU 58 HN GLU 58 -3.398 12.949 3.684 406 HA GLU 58 HA GLU 58 -2.321 10.361 3.837 407 HB2 GLU 58 HB2 GLU 58 -2.844 10.424 6.201 408 HB3 GLU 58 HB1 GLU 58 -2.183 11.969 5.689 409 HG2 GLU 58 HG2 GLU 58 -4.399 12.937 5.660 410 HG3 GLU 58 HG1 GLU 58 -5.104 11.377 6.086 411 H ALA 59 HN ALA 59 -3.192 8.392 4.016 412 HA ALA 59 HA ALA 59 -6.000 8.126 3.288 413 HB1 ALA 59 HB1 ALA 59 -4.447 6.895 1.932 414 HB2 ALA 59 HB2 ALA 59 -5.402 5.759 2.883 415 HB3 ALA 59 HB3 ALA 59 -3.745 6.132 3.360 416 H ALA 60 HN ALA 60 -7.473 6.928 4.469 417 HA ALA 60 HA ALA 60 -6.722 6.501 7.275 418 HB1 ALA 60 HB1 ALA 60 -9.104 6.680 7.778 419 HB2 ALA 60 HB2 ALA 60 -9.459 6.868 6.059 420 HB3 ALA 60 HB3 ALA 60 -8.530 8.103 6.909 421 H SER 61 HN SER 61 -8.115 4.992 4.443 422 HA SER 61 HA SER 61 -7.924 2.411 5.826 423 HB2 SER 61 HB2 SER 61 -9.883 1.690 4.396 424 HB3 SER 61 HB1 SER 61 -10.269 2.872 5.641 425 HG SER 61 HG SER 61 -9.710 3.518 2.938 426 H PHE 62 HN PHE 62 -6.964 0.776 4.677 427 HA PHE 62 HA PHE 62 -5.735 1.626 2.131 428 HB2 PHE 62 HB2 PHE 62 -4.497 -0.449 3.917 429 HB3 PHE 62 HB1 PHE 62 -3.708 0.645 2.776 430 HD1 PHE 62 HD1 PHE 62 -3.702 -0.091 6.054 431 HD2 PHE 62 HD2 PHE 62 -4.470 3.258 3.546 432 HE1 PHE 62 HE1 PHE 62 -3.105 1.417 7.898 433 HE2 PHE 62 HE2 PHE 62 -3.880 4.773 5.388 434 HZ PHE 62 HZ PHE 62 -3.220 3.786 7.630 435 H CYS 63 HN CYS 63 -5.982 0.285 0.378 436 HA CYS 63 HA CYS 63 -7.628 -2.021 0.530 437 HB2 CYS 63 HB2 CYS 63 -7.363 -0.701 -1.562 438 HB3 CYS 63 HB1 CYS 63 -5.701 -1.275 -1.685 439 H GLU 64 HN GLU 64 -7.138 -4.070 0.983 440 HA GLU 64 HA GLU 64 -4.367 -4.632 1.709 441 HB2 GLU 64 HB2 GLU 64 -6.885 -6.215 2.242 442 HB3 GLU 64 HB1 GLU 64 -5.290 -6.577 2.890 443 HG2 GLU 64 HG2 GLU 64 -5.302 -4.403 4.059 444 HG3 GLU 64 HG1 GLU 64 -6.928 -4.112 3.452 445 H MET 65 HN MET 65 -5.582 -4.609 -1.088 446 HA MET 65 HA MET 65 -4.385 -7.186 -1.857 447 HB2 MET 65 HB2 MET 65 -6.744 -5.825 -3.166 448 HB3 MET 65 HB1 MET 65 -5.901 -7.231 -3.820 449 HG2 MET 65 HG2 MET 65 -6.548 -8.545 -1.882 450 HG3 MET 65 HG1 MET 65 -7.352 -7.141 -1.179 451 HE1 MET 65 HE1 MET 65 -7.373 -8.023 -5.022 452 HE2 MET 65 HE2 MET 65 -8.748 -9.122 -5.113 453 HE3 MET 65 HE3 MET 65 -7.291 -9.602 -4.243 454 H CYS 66 HN CYS 66 -4.029 -3.897 -1.962 455 HA CYS 66 HA CYS 66 -1.935 -4.010 -3.860 456 HB2 CYS 66 HB2 CYS 66 -2.821 -2.753 -5.672 457 HB3 CYS 66 HB1 CYS 66 -4.042 -3.971 -5.329 458 HA PRO 67 HA PRO 67 -0.771 -0.426 -1.606 459 HB2 PRO 67 HB2 PRO 67 0.364 0.949 -3.923 460 HB3 PRO 67 HB1 PRO 67 1.197 0.173 -2.573 461 HG2 PRO 67 HG2 PRO 67 1.258 -0.836 -5.073 462 HG3 PRO 67 HG1 PRO 67 1.289 -1.865 -3.628 463 HD2 PRO 67 HD2 PRO 67 -1.039 -1.192 -5.415 464 HD3 PRO 67 HD1 PRO 67 -0.557 -2.772 -4.742 465 H SER 68 HN SER 68 -3.335 -0.150 -3.509 466 HA SER 68 HA SER 68 -3.449 2.749 -3.687 467 HB2 SER 68 HB2 SER 68 -5.572 0.699 -4.382 468 HB3 SER 68 HB1 SER 68 -5.596 2.415 -4.791 469 HG SER 68 HG SER 68 -3.514 1.922 -5.903 470 H SER 69 HN SER 69 -3.777 3.757 -1.823 471 HA SER 69 HA SER 69 -5.857 2.718 -0.018 472 HB2 SER 69 HB2 SER 69 -4.625 4.232 1.678 473 HB3 SER 69 HB1 SER 69 -3.835 2.726 1.203 474 HG SER 69 HG SER 69 -3.320 5.188 -0.109 475 H PHE 70 HN PHE 70 -7.065 4.479 1.202 476 HA PHE 70 HA PHE 70 -7.414 6.865 -0.473 477 HB2 PHE 70 HB2 PHE 70 -9.684 5.080 0.432 478 HB3 PHE 70 HB1 PHE 70 -9.840 6.579 -0.487 479 HD1 PHE 70 HD1 PHE 70 -8.786 6.660 -2.807 480 HD2 PHE 70 HD2 PHE 70 -9.423 3.050 -0.650 481 HE1 PHE 70 HE1 PHE 70 -8.630 5.384 -4.906 482 HE2 PHE 70 HE2 PHE 70 -9.265 1.765 -2.742 483 HZ PHE 70 HZ PHE 70 -8.867 2.931 -4.873 484 H CYS 71 HN CYS 71 -8.382 8.629 0.561 485 HA CYS 71 HA CYS 71 -7.943 8.777 3.403 486 HB2 CYS 71 HB2 CYS 71 -8.487 11.123 3.160 487 HB3 CYS 71 HB1 CYS 71 -7.440 10.651 1.826 488 H LYS 72 HN LYS 72 -9.833 10.155 4.590 489 HA LYS 72 HA LYS 72 -11.911 8.351 5.045 490 HB2 LYS 72 HB2 LYS 72 -11.860 11.318 5.587 491 HB3 LYS 72 HB1 LYS 72 -13.020 10.187 6.264 492 HG2 LYS 72 HG2 LYS 72 -11.286 9.056 7.485 493 HG3 LYS 72 HG1 LYS 72 -10.049 10.041 6.703 494 HD2 LYS 72 HD2 LYS 72 -11.064 12.052 7.721 495 HD3 LYS 72 HD1 LYS 72 -12.204 11.009 8.573 496 HE2 LYS 72 HE2 LYS 72 -10.422 9.947 9.772 497 HE3 LYS 72 HE1 LYS 72 -9.214 10.801 8.820 498 HZ1 LYS 72 HZ1 LYS 72 -10.033 12.891 9.769 499 HZ2 LYS 72 HZ2 LYS 72 -9.464 11.837 10.960 500 HZ3 LYS 72 HZ3 LYS 72 -11.127 12.027 10.729 501 H GLN 73 HN GLN 73 -11.728 11.116 2.887 502 HA GLN 73 HA GLN 73 -14.506 11.116 2.221 503 HB2 GLN 73 HB2 GLN 73 -12.150 12.365 0.819 504 HB3 GLN 73 HB1 GLN 73 -13.830 12.664 0.402 505 HG2 GLN 73 HG2 GLN 73 -14.145 13.519 2.745 506 HG3 GLN 73 HG1 GLN 73 -12.394 13.412 2.935 507 HE21 GLN 73 HE21 GLN 73 -15.017 15.069 1.385 508 HE22 GLN 73 HE22 GLN 73 -14.092 16.411 0.807 509 H HIS 74 HN HIS 74 -11.585 9.971 0.568 510 HA HIS 74 HA HIS 74 -13.224 9.134 -1.685 511 HB2 HIS 74 HB2 HIS 74 -10.214 9.214 -1.351 512 HB3 HIS 74 HB1 HIS 74 -11.051 8.723 -2.829 513 HD2 HIS 74 HD2 HIS 74 -13.252 11.112 -2.923 514 HE1 HIS 74 HE1 HIS 74 -9.886 13.655 -2.854 515 HE2 HIS 74 HE2 HIS 74 -12.305 13.435 -3.565 516 H ARG 75 HN ARG 75 -12.668 7.695 1.099 517 HA ARG 75 HA ARG 75 -12.042 5.058 0.053 518 HB2 ARG 75 HB2 ARG 75 -12.221 4.266 2.327 519 HB3 ARG 75 HB1 ARG 75 -11.241 5.725 2.306 520 HG2 ARG 75 HG2 ARG 75 -13.223 7.012 3.028 521 HG3 ARG 75 HG1 ARG 75 -14.121 5.500 3.146 522 HD2 ARG 75 HD2 ARG 75 -12.584 4.688 4.835 523 HD3 ARG 75 HD1 ARG 75 -11.602 6.142 4.681 524 HE ARG 75 HE ARG 75 -14.050 7.120 5.294 525 HH11 ARG 75 HH11 ARG 75 -12.055 4.655 6.788 526 HH12 ARG 75 HH12 ARG 75 -12.639 4.975 8.388 527 HH21 ARG 75 HH21 ARG 75 -14.822 7.539 7.382 528 HH22 ARG 75 HH22 ARG 75 -14.230 6.609 8.724 529 H GLU 76 HN GLU 76 -14.793 6.973 0.892 530 HA GLU 76 HA GLU 76 -16.639 4.855 1.232 531 HB2 GLU 76 HB2 GLU 76 -17.051 7.772 0.586 532 HB3 GLU 76 HB1 GLU 76 -18.360 6.652 0.944 533 HG2 GLU 76 HG2 GLU 76 -17.345 6.239 3.158 534 HG3 GLU 76 HG1 GLU 76 -16.119 7.449 2.794 535 H GLY 77 HN GLY 77 -17.580 3.621 -0.251 536 HA2 GLY 77 HA2 GLY 77 -18.508 2.999 -2.276 537 HA3 GLY 77 HA1 GLY 77 -18.163 4.610 -2.892 538 H MET 78 HN MET 78 -15.297 3.716 -1.677 539 HA MET 78 HA MET 78 -14.458 2.574 -4.258 540 HB2 MET 78 HB2 MET 78 -12.930 4.302 -2.303 541 HB3 MET 78 HB1 MET 78 -12.196 3.517 -3.696 542 HG2 MET 78 HG2 MET 78 -14.410 5.565 -3.784 543 HG3 MET 78 HG1 MET 78 -12.711 5.852 -4.168 544 HE1 MET 78 HE1 MET 78 -13.380 6.899 -6.503 545 HE2 MET 78 HE2 MET 78 -15.083 6.641 -6.121 546 HE3 MET 78 HE3 MET 78 -14.436 6.100 -7.669 547 H LEU 79 HN LEU 79 -14.112 2.235 -0.756 548 HA LEU 79 HA LEU 79 -12.626 -0.260 -1.257 549 HB2 LEU 79 HB2 LEU 79 -11.539 1.683 0.045 550 HB3 LEU 79 HB1 LEU 79 -12.658 1.274 1.333 551 HG LEU 79 HG LEU 79 -11.663 -0.973 1.483 552 HD11 LEU 79 HD11 LEU 79 -10.904 -1.250 -0.807 553 HD12 LEU 79 HD12 LEU 79 -9.558 -1.439 0.311 554 HD13 LEU 79 HD13 LEU 79 -9.744 0.057 -0.601 555 HD21 LEU 79 HD21 LEU 79 -9.767 1.357 1.671 556 HD22 LEU 79 HD22 LEU 79 -9.451 -0.235 2.357 557 HD23 LEU 79 HD23 LEU 79 -10.814 0.721 2.940 558 H PHE 80 HN PHE 80 -13.343 -2.141 -0.299 559 HA PHE 80 HA PHE 80 -15.604 -2.067 1.536 560 HB2 PHE 80 HB2 PHE 80 -16.849 -3.725 0.072 561 HB3 PHE 80 HB1 PHE 80 -16.785 -2.081 -0.546 562 HD1 PHE 80 HD1 PHE 80 -15.874 -1.612 -2.651 563 HD2 PHE 80 HD2 PHE 80 -15.270 -5.450 -0.905 564 HE1 PHE 80 HE1 PHE 80 -14.965 -2.435 -4.778 565 HE2 PHE 80 HE2 PHE 80 -14.359 -6.274 -3.033 566 HZ PHE 80 HZ PHE 80 -14.205 -4.765 -4.974 567 H ILE 81 HN ILE 81 -16.136 -4.340 2.297 568 HA ILE 81 HA ILE 81 -13.619 -5.706 2.807 569 HB ILE 81 HB ILE 81 -16.356 -5.976 4.028 570 HG12 ILE 81 HG12 ILE 81 -14.911 -4.054 4.698 571 HG13 ILE 81 HG11 ILE 81 -15.298 -5.142 6.025 572 HG21 ILE 81 HG21 ILE 81 -13.905 -7.632 4.579 573 HG22 ILE 81 HG22 ILE 81 -15.448 -8.200 3.936 574 HG23 ILE 81 HG23 ILE 81 -15.347 -7.602 5.593 575 HD11 ILE 81 HD11 ILE 81 -13.090 -6.192 5.763 576 HD12 ILE 81 HD12 ILE 81 -13.000 -4.477 6.161 577 HD13 ILE 81 HD13 ILE 81 -12.707 -5.012 4.509 578 H SER 82 HN SER 82 -13.022 -7.541 1.918 579 HA SER 82 HA SER 82 -14.712 -8.924 0.039 580 HB2 SER 82 HB2 SER 82 -12.356 -8.758 -0.477 581 HB3 SER 82 HB1 SER 82 -11.918 -9.461 1.080 582 HG SER 82 HG SER 82 -12.731 -10.680 -1.251 583 H LYS 83 HN LYS 83 -15.974 -10.637 0.493 584 HA LYS 83 HA LYS 83 -16.212 -11.562 3.190 585 HB2 LYS 83 HB2 LYS 83 -17.493 -12.574 0.650 586 HB3 LYS 83 HB1 LYS 83 -17.928 -13.084 2.276 587 HG2 LYS 83 HG2 LYS 83 -18.555 -10.754 2.802 588 HG3 LYS 83 HG1 LYS 83 -18.206 -10.312 1.132 589 HD2 LYS 83 HD2 LYS 83 -20.569 -10.646 1.340 590 HD3 LYS 83 HD1 LYS 83 -19.903 -11.982 0.403 591 HE2 LYS 83 HE2 LYS 83 -21.528 -12.802 2.009 592 HE3 LYS 83 HE1 LYS 83 -19.918 -13.389 2.415 593 HZ1 LYS 83 HZ1 LYS 83 -19.756 -11.660 4.098 594 HZ2 LYS 83 HZ2 LYS 83 -21.103 -12.639 4.376 595 HZ3 LYS 83 HZ3 LYS 83 -21.302 -11.099 3.708 596 H LEU 84 HN LEU 84 -14.064 -12.287 0.788 597 HA LEU 84 HA LEU 84 -13.839 -15.113 1.138 598 HB2 LEU 84 HB2 LEU 84 -11.879 -13.131 -0.003 599 HB3 LEU 84 HB1 LEU 84 -11.757 -14.873 -0.144 600 HG LEU 84 HG LEU 84 -13.947 -13.171 -1.342 601 HD11 LEU 84 HD11 LEU 84 -12.910 -13.711 -3.482 602 HD12 LEU 84 HD12 LEU 84 -11.619 -14.573 -2.646 603 HD13 LEU 84 HD13 LEU 84 -11.793 -12.831 -2.439 604 HD21 LEU 84 HD21 LEU 84 -13.372 -16.121 -1.581 605 HD22 LEU 84 HD22 LEU 84 -14.569 -15.235 -2.525 606 HD23 LEU 84 HD23 LEU 84 -14.759 -15.385 -0.779 607 H ASP 85 HN ASP 85 -11.799 -12.367 2.148 608 HA ASP 85 HA ASP 85 -10.735 -14.091 4.287 609 HB2 ASP 85 HB2 ASP 85 -9.218 -12.046 2.662 610 HB3 ASP 85 HB1 ASP 85 -8.574 -12.891 4.064 611 H GLY 86 HN GLY 86 -12.628 -11.491 3.789 612 HA2 GLY 86 HA2 GLY 86 -13.399 -9.874 5.240 613 HA3 GLY 86 HA1 GLY 86 -12.293 -10.499 6.455 614 H ARG 87 HN ARG 87 -10.924 -9.715 3.438 615 HA ARG 87 HA ARG 87 -9.453 -7.535 4.688 616 HB2 ARG 87 HB2 ARG 87 -9.002 -9.099 2.145 617 HB3 ARG 87 HB1 ARG 87 -7.977 -7.772 2.674 618 HG2 ARG 87 HG2 ARG 87 -7.407 -9.000 4.697 619 HG3 ARG 87 HG1 ARG 87 -8.457 -10.326 4.192 620 HD2 ARG 87 HD2 ARG 87 -7.076 -10.632 2.188 621 HD3 ARG 87 HD1 ARG 87 -6.016 -9.331 2.733 622 HE ARG 87 HE ARG 87 -5.720 -10.853 4.783 623 HH11 ARG 87 HH11 ARG 87 -6.192 -11.998 1.505 624 HH12 ARG 87 HH12 ARG 87 -5.306 -13.468 1.758 625 HH21 ARG 87 HH21 ARG 87 -4.552 -12.794 5.112 626 HH22 ARG 87 HH22 ARG 87 -4.382 -13.923 3.807 627 H LEU 88 HN LEU 88 -9.210 -5.519 3.739 628 HA LEU 88 HA LEU 88 -11.495 -4.515 2.349 629 HB2 LEU 88 HB2 LEU 88 -8.841 -3.268 3.051 630 HB3 LEU 88 HB1 LEU 88 -10.152 -2.396 2.293 631 HG LEU 88 HG LEU 88 -10.563 -3.785 4.916 632 HD11 LEU 88 HD11 LEU 88 -8.603 -2.331 5.165 633 HD12 LEU 88 HD12 LEU 88 -9.995 -1.701 6.047 634 HD13 LEU 88 HD13 LEU 88 -9.527 -0.980 4.508 635 HD21 LEU 88 HD21 LEU 88 -12.275 -2.042 5.170 636 HD22 LEU 88 HD22 LEU 88 -12.541 -3.010 3.722 637 HD23 LEU 88 HD23 LEU 88 -11.843 -1.397 3.587 638 H SER 89 HN SER 89 -11.827 -4.379 0.235 639 HA SER 89 HA SER 89 -9.502 -4.536 -1.568 640 HB2 SER 89 HB2 SER 89 -10.834 -6.652 -1.518 641 HB3 SER 89 HB1 SER 89 -12.236 -5.741 -2.076 642 HG SER 89 HG SER 89 -10.150 -6.726 -3.488 643 H CYS 90 HN CYS 90 -9.444 -3.067 -3.193 644 HA CYS 90 HA CYS 90 -11.340 -0.884 -3.061 645 HB2 CYS 90 HB2 CYS 90 -9.788 0.334 -4.447 646 HB3 CYS 90 HB1 CYS 90 -8.852 -0.526 -3.224 647 H THR 91 HN THR 91 -12.085 0.114 -5.153 648 HA THR 91 HA THR 91 -13.605 -1.825 -6.596 649 HB THR 91 HB THR 91 -14.343 0.273 -7.878 650 HG1 THR 91 HG1 THR 91 -13.821 2.134 -6.249 651 HG21 THR 91 HG21 THR 91 -14.735 0.106 -4.890 652 HG22 THR 91 HG22 THR 91 -15.669 -0.754 -6.113 653 HG23 THR 91 HG23 THR 91 -15.761 1.003 -6.011 654 H GLU 92 HN GLU 92 -10.501 -1.278 -6.963 655 HA GLU 92 HA GLU 92 -10.499 -1.152 -9.884 656 HB2 GLU 92 HB2 GLU 92 -8.258 -1.122 -7.856 657 HB3 GLU 92 HB1 GLU 92 -8.006 -1.142 -9.595 658 HG2 GLU 92 HG2 GLU 92 -9.465 1.008 -8.082 659 HG3 GLU 92 HG1 GLU 92 -7.791 1.103 -8.628 660 H HIS 93 HN HIS 93 -11.250 -3.444 -7.887 661 HA HIS 93 HA HIS 93 -9.630 -5.515 -9.219 662 HB2 HIS 93 HB2 HIS 93 -10.688 -5.595 -6.382 663 HB3 HIS 93 HB1 HIS 93 -9.791 -6.879 -7.177 664 HD1 HIS 93 HD1 HIS 93 -7.774 -4.412 -8.357 665 HD2 HIS 93 HD2 HIS 93 -8.617 -5.630 -4.478 666 HE1 HIS 93 HE1 HIS 93 -5.836 -3.626 -6.925 667 H ASP 94 HN ASP 94 -11.750 -4.942 -10.575 668 HA ASP 94 HA ASP 94 -14.011 -6.554 -9.675 669 HB2 ASP 94 HB2 ASP 94 -13.657 -4.788 -12.107 670 HB3 ASP 94 HB1 ASP 94 -15.104 -5.734 -11.783 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 10.108 1.507 16.400 2 H2 GLY 1 HT2 GLY 1 9.894 -0.113 15.977 3 H3 GLY 1 HT3 GLY 1 8.684 1.010 15.640 4 HA2 GLY 1 HA1 GLY 1 10.131 2.158 14.084 5 HA3 GLY 1 HA2 GLY 1 11.390 0.978 14.428 6 H ALA 2 HN ALA 2 11.583 -0.098 12.541 7 HA ALA 2 HA ALA 2 9.133 -1.292 11.427 8 HB1 ALA 2 HB1 ALA 2 11.753 -0.753 10.034 9 HB2 ALA 2 HB2 ALA 2 10.282 0.205 9.872 10 HB3 ALA 2 HB3 ALA 2 10.316 -1.462 9.301 11 H MET 3 HN MET 3 9.395 -2.877 13.186 12 HA MET 3 HA MET 3 11.595 -4.746 12.985 13 HB2 MET 3 HB2 MET 3 10.723 -4.287 15.188 14 HB3 MET 3 HB1 MET 3 9.097 -4.725 14.687 15 HG2 MET 3 HG2 MET 3 10.100 -6.473 16.031 16 HG3 MET 3 HG1 MET 3 9.798 -7.034 14.389 17 HE1 MET 3 HE1 MET 3 11.698 -8.538 16.482 18 HE2 MET 3 HE2 MET 3 13.032 -8.987 15.418 19 HE3 MET 3 HE3 MET 3 11.368 -9.116 14.849 20 H GLU 4 HN GLU 4 8.056 -5.078 12.778 21 HA GLU 4 HA GLU 4 8.285 -7.587 11.390 22 HB2 GLU 4 HB2 GLU 4 5.860 -5.865 11.927 23 HB3 GLU 4 HB1 GLU 4 5.826 -7.511 11.317 24 HG2 GLU 4 HG2 GLU 4 6.818 -8.306 13.395 25 HG3 GLU 4 HG1 GLU 4 6.867 -6.652 14.003 26 H ARG 5 HN ARG 5 9.172 -7.359 9.401 27 HA ARG 5 HA ARG 5 7.718 -5.622 7.516 28 HB2 ARG 5 HB2 ARG 5 10.666 -6.288 7.464 29 HB3 ARG 5 HB1 ARG 5 9.814 -5.317 6.273 30 HG2 ARG 5 HG2 ARG 5 9.333 -3.642 7.988 31 HG3 ARG 5 HG1 ARG 5 10.198 -4.620 9.179 32 HD2 ARG 5 HD2 ARG 5 11.347 -3.356 6.693 33 HD3 ARG 5 HD1 ARG 5 11.646 -2.867 8.361 34 HE ARG 5 HE ARG 5 12.601 -5.240 8.571 35 HH11 ARG 5 HH11 ARG 5 12.742 -3.299 5.672 36 HH12 ARG 5 HH12 ARG 5 14.195 -4.042 5.086 37 HH21 ARG 5 HH21 ARG 5 14.515 -6.237 7.798 38 HH22 ARG 5 HH22 ARG 5 15.198 -5.718 6.287 39 H GLU 6 HN GLU 6 6.771 -6.715 5.916 40 HA GLU 6 HA GLU 6 7.323 -9.510 5.508 41 HB2 GLU 6 HB2 GLU 6 5.540 -7.585 3.998 42 HB3 GLU 6 HB1 GLU 6 5.575 -9.328 3.757 43 HG2 GLU 6 HG2 GLU 6 4.800 -9.703 6.007 44 HG3 GLU 6 HG1 GLU 6 4.877 -7.978 6.353 45 H ASP 7 HN ASP 7 9.140 -10.066 4.482 46 HA ASP 7 HA ASP 7 10.487 -8.234 2.730 47 HB2 ASP 7 HB2 ASP 7 11.683 -9.728 4.323 48 HB3 ASP 7 HB1 ASP 7 11.189 -11.108 3.346 49 H GLU 8 HN GLU 8 8.636 -8.155 1.275 50 HA GLU 8 HA GLU 8 9.166 -9.557 -1.133 51 HB2 GLU 8 HB2 GLU 8 7.876 -11.314 0.043 52 HB3 GLU 8 HB1 GLU 8 6.569 -10.171 0.305 53 HG2 GLU 8 HG2 GLU 8 6.152 -10.038 -2.065 54 HG3 GLU 8 HG1 GLU 8 7.540 -11.075 -2.397 55 H CYS 9 HN CYS 9 7.839 -8.621 -2.879 56 HA CYS 9 HA CYS 9 7.005 -5.934 -2.195 57 HB2 CYS 9 HB2 CYS 9 8.283 -6.220 -4.239 58 HB3 CYS 9 HB1 CYS 9 7.090 -7.374 -4.842 59 H PHE 10 HN PHE 10 5.027 -5.541 -1.547 60 HA PHE 10 HA PHE 10 2.903 -7.405 -1.801 61 HB2 PHE 10 HB2 PHE 10 3.055 -5.858 0.086 62 HB3 PHE 10 HB1 PHE 10 2.876 -4.484 -0.998 63 HD1 PHE 10 HD1 PHE 10 0.781 -3.609 -1.418 64 HD2 PHE 10 HD2 PHE 10 1.118 -7.554 0.148 65 HE1 PHE 10 HE1 PHE 10 -1.656 -3.699 -1.127 66 HE2 PHE 10 HE2 PHE 10 -1.322 -7.649 0.438 67 HZ PHE 10 HZ PHE 10 -2.707 -5.715 -0.199 68 H SER 11 HN SER 11 4.056 -4.877 -3.850 69 HA SER 11 HA SER 11 1.597 -4.456 -5.262 70 HB2 SER 11 HB2 SER 11 4.420 -3.768 -6.105 71 HB3 SER 11 HB1 SER 11 2.940 -3.144 -6.829 72 HG SER 11 HG SER 11 3.332 -1.600 -5.424 73 H CYS 12 HN CYS 12 4.527 -6.372 -5.839 74 HA CYS 12 HA CYS 12 3.362 -7.287 -8.379 75 HB2 CYS 12 HB2 CYS 12 6.210 -7.607 -7.418 76 HB3 CYS 12 HB1 CYS 12 5.599 -7.928 -9.039 77 H GLY 13 HN GLY 13 4.322 -8.380 -5.222 78 HA2 GLY 13 HA2 GLY 13 3.803 -10.426 -4.228 79 HA3 GLY 13 HA1 GLY 13 3.329 -11.047 -5.806 80 H ASP 14 HN ASP 14 6.237 -9.513 -6.089 81 HA ASP 14 HA ASP 14 7.710 -12.047 -5.881 82 HB2 ASP 14 HB2 ASP 14 7.923 -9.767 -7.828 83 HB3 ASP 14 HB1 ASP 14 9.281 -10.856 -7.568 84 H ALA 15 HN ALA 15 10.046 -11.808 -5.473 85 HA ALA 15 HA ALA 15 10.609 -9.526 -3.703 86 HB1 ALA 15 HB1 ALA 15 12.019 -11.001 -2.371 87 HB2 ALA 15 HB2 ALA 15 11.582 -12.361 -3.408 88 HB3 ALA 15 HB3 ALA 15 10.352 -11.573 -2.420 89 H GLY 16 HN GLY 16 12.907 -8.955 -3.568 90 HA2 GLY 16 HA2 GLY 16 15.004 -9.716 -5.063 91 HA3 GLY 16 HA1 GLY 16 14.002 -8.872 -6.237 92 H GLN 17 HN GLN 17 14.644 -6.841 -6.541 93 HA GLN 17 HA GLN 17 16.216 -5.459 -4.571 94 HB2 GLN 17 HB2 GLN 17 16.623 -5.204 -7.005 95 HB3 GLN 17 HB1 GLN 17 15.054 -4.427 -7.164 96 HG2 GLN 17 HG2 GLN 17 15.785 -2.614 -5.730 97 HG3 GLN 17 HG1 GLN 17 17.344 -3.402 -5.503 98 HE21 GLN 17 HE21 GLN 17 15.306 -1.656 -7.712 99 HE22 GLN 17 HE22 GLN 17 16.542 -1.282 -8.865 100 H LEU 18 HN LEU 18 14.845 -5.322 -2.808 101 HA LEU 18 HA LEU 18 12.303 -3.914 -3.154 102 HB2 LEU 18 HB2 LEU 18 13.368 -5.589 -0.887 103 HB3 LEU 18 HB1 LEU 18 11.834 -4.739 -0.841 104 HG LEU 18 HG LEU 18 12.477 -6.841 -2.898 105 HD11 LEU 18 HD11 LEU 18 12.589 -7.869 -0.709 106 HD12 LEU 18 HD12 LEU 18 11.110 -8.358 -1.536 107 HD13 LEU 18 HD13 LEU 18 11.048 -7.138 -0.266 108 HD21 LEU 18 HD21 LEU 18 10.692 -5.233 -3.440 109 HD22 LEU 18 HD22 LEU 18 9.857 -5.702 -1.960 110 HD23 LEU 18 HD23 LEU 18 10.098 -6.879 -3.247 111 H VAL 19 HN VAL 19 11.695 -2.227 -1.830 112 HA VAL 19 HA VAL 19 13.728 -1.088 -0.047 113 HB VAL 19 HB VAL 19 13.633 0.398 -1.941 114 HG11 VAL 19 HG11 VAL 19 10.646 0.471 -1.554 115 HG12 VAL 19 HG12 VAL 19 11.514 -0.259 -2.905 116 HG13 VAL 19 HG13 VAL 19 11.558 1.488 -2.671 117 HG21 VAL 19 HG21 VAL 19 13.819 1.483 0.208 118 HG22 VAL 19 HG22 VAL 19 12.065 1.520 0.375 119 HG23 VAL 19 HG23 VAL 19 12.851 2.480 -0.878 120 H SER 20 HN SER 20 13.021 -0.751 1.979 121 HA SER 20 HA SER 20 10.272 -1.561 2.537 122 HB2 SER 20 HB2 SER 20 12.036 -2.772 3.714 123 HB3 SER 20 HB1 SER 20 12.671 -1.266 4.366 124 HG SER 20 HG SER 20 10.793 -1.034 5.579 125 H CYS 21 HN CYS 21 8.902 -0.372 3.885 126 HA CYS 21 HA CYS 21 9.198 2.484 3.728 127 HB2 CYS 21 HB2 CYS 21 6.988 1.204 3.618 128 HB3 CYS 21 HB1 CYS 21 7.156 0.952 5.355 129 H LYS 22 HN LYS 22 10.229 3.716 5.189 130 HA LYS 22 HA LYS 22 11.226 2.436 7.594 131 HB2 LYS 22 HB2 LYS 22 11.825 5.146 6.390 132 HB3 LYS 22 HB1 LYS 22 12.619 4.479 7.813 133 HG2 LYS 22 HG2 LYS 22 13.468 2.621 6.471 134 HG3 LYS 22 HG1 LYS 22 12.674 3.287 5.047 135 HD2 LYS 22 HD2 LYS 22 14.068 5.286 5.194 136 HD3 LYS 22 HD1 LYS 22 14.847 4.643 6.643 137 HE2 LYS 22 HE2 LYS 22 15.657 2.724 5.339 138 HE3 LYS 22 HE1 LYS 22 14.904 3.396 3.895 139 HZ1 LYS 22 HZ1 LYS 22 16.363 5.301 4.052 140 HZ2 LYS 22 HZ2 LYS 22 17.274 3.879 4.002 141 HZ3 LYS 22 HZ3 LYS 22 17.063 4.694 5.465 142 H LYS 23 HN LYS 23 8.422 3.091 7.314 143 HA LYS 23 HA LYS 23 8.054 5.118 9.403 144 HB2 LYS 23 HB2 LYS 23 6.753 5.311 7.251 145 HB3 LYS 23 HB1 LYS 23 5.960 3.800 7.668 146 HG2 LYS 23 HG2 LYS 23 4.525 5.631 8.245 147 HG3 LYS 23 HG1 LYS 23 5.089 4.847 9.720 148 HD2 LYS 23 HD2 LYS 23 6.727 6.596 10.064 149 HD3 LYS 23 HD1 LYS 23 6.283 7.353 8.533 150 HE2 LYS 23 HE2 LYS 23 4.471 7.013 10.921 151 HE3 LYS 23 HE1 LYS 23 5.261 8.513 10.431 152 HZ1 LYS 23 HZ1 LYS 23 3.025 8.520 9.644 153 HZ2 LYS 23 HZ2 LYS 23 3.205 7.011 8.912 154 HZ3 LYS 23 HZ3 LYS 23 4.046 8.350 8.300 155 HA PRO 24 HA PRO 24 7.759 1.670 12.248 156 HB2 PRO 24 HB2 PRO 24 6.322 3.687 13.895 157 HB3 PRO 24 HB1 PRO 24 7.694 2.661 14.321 158 HG2 PRO 24 HG2 PRO 24 8.036 5.255 13.843 159 HG3 PRO 24 HG1 PRO 24 9.230 4.061 13.296 160 HD2 PRO 24 HD2 PRO 24 7.141 5.516 11.719 161 HD3 PRO 24 HD1 PRO 24 8.799 5.071 11.257 162 H GLY 25 HN GLY 25 6.271 0.104 12.265 163 HA2 GLY 25 HA2 GLY 25 4.131 -0.781 12.741 164 HA3 GLY 25 HA1 GLY 25 3.438 0.815 12.483 165 H CYS 26 HN CYS 26 5.404 0.539 9.933 166 HA CYS 26 HA CYS 26 3.250 -0.510 8.243 167 HB2 CYS 26 HB2 CYS 26 4.407 1.790 7.918 168 HB3 CYS 26 HB1 CYS 26 5.748 0.854 7.259 169 HA PRO 27 HA PRO 27 6.043 -4.048 7.960 170 HB2 PRO 27 HB2 PRO 27 4.180 -5.932 7.661 171 HB3 PRO 27 HB1 PRO 27 4.369 -5.097 9.211 172 HG2 PRO 27 HG2 PRO 27 2.322 -4.696 7.069 173 HG3 PRO 27 HG1 PRO 27 2.122 -4.655 8.836 174 HD2 PRO 27 HD2 PRO 27 2.423 -2.422 7.165 175 HD3 PRO 27 HD1 PRO 27 2.635 -2.439 8.931 176 H LYS 28 HN LYS 28 4.861 -2.321 5.583 177 HA LYS 28 HA LYS 28 4.690 -4.458 3.580 178 HB2 LYS 28 HB2 LYS 28 3.349 -1.880 3.917 179 HB3 LYS 28 HB1 LYS 28 3.956 -2.135 2.277 180 HG2 LYS 28 HG2 LYS 28 1.612 -2.890 2.601 181 HG3 LYS 28 HG1 LYS 28 2.699 -4.168 2.059 182 HD2 LYS 28 HD2 LYS 28 2.868 -5.003 4.357 183 HD3 LYS 28 HD1 LYS 28 1.795 -3.715 4.906 184 HE2 LYS 28 HE2 LYS 28 -0.001 -4.602 3.537 185 HE3 LYS 28 HE1 LYS 28 1.074 -5.846 2.899 186 HZ1 LYS 28 HZ1 LYS 28 1.298 -6.749 5.129 187 HZ2 LYS 28 HZ2 LYS 28 -0.329 -6.717 4.650 188 HZ3 LYS 28 HZ3 LYS 28 0.251 -5.560 5.736 189 H VAL 29 HN VAL 29 5.994 -4.608 1.883 190 HA VAL 29 HA VAL 29 8.160 -2.642 1.580 191 HB VAL 29 HB VAL 29 8.402 -5.659 1.617 192 HG11 VAL 29 HG11 VAL 29 10.580 -3.674 1.036 193 HG12 VAL 29 HG12 VAL 29 9.760 -4.656 -0.179 194 HG13 VAL 29 HG13 VAL 29 10.718 -5.434 1.085 195 HG21 VAL 29 HG21 VAL 29 9.725 -3.560 3.324 196 HG22 VAL 29 HG22 VAL 29 9.928 -5.308 3.463 197 HG23 VAL 29 HG23 VAL 29 8.366 -4.571 3.818 198 H TYR 30 HN TYR 30 9.004 -2.497 -0.600 199 HA TYR 30 HA TYR 30 7.405 -3.717 -2.727 200 HB2 TYR 30 HB2 TYR 30 7.632 -0.716 -2.416 201 HB3 TYR 30 HB1 TYR 30 6.799 -1.567 -3.709 202 HD1 TYR 30 HD1 TYR 30 4.687 -2.832 -3.170 203 HD2 TYR 30 HD2 TYR 30 6.549 -0.215 -0.382 204 HE1 TYR 30 HE1 TYR 30 2.601 -2.739 -1.872 205 HE2 TYR 30 HE2 TYR 30 4.474 -0.119 0.924 206 HH TYR 30 HH TYR 30 1.929 -2.252 0.509 207 H HIS 31 HN HIS 31 8.283 -3.020 -4.911 208 HA HIS 31 HA HIS 31 11.185 -2.755 -4.834 209 HB2 HIS 31 HB2 HIS 31 9.343 -2.935 -7.239 210 HB3 HIS 31 HB1 HIS 31 11.100 -3.022 -7.275 211 HD2 HIS 31 HD2 HIS 31 11.959 -5.364 -5.565 212 HE1 HIS 31 HE1 HIS 31 8.633 -7.515 -7.064 213 HE2 HIS 31 HE2 HIS 31 11.000 -7.709 -6.148 214 H ALA 32 HN ALA 32 12.291 -0.979 -5.618 215 HA ALA 32 HA ALA 32 11.054 1.544 -5.513 216 HB1 ALA 32 HB1 ALA 32 13.426 1.234 -5.056 217 HB2 ALA 32 HB2 ALA 32 13.187 2.410 -6.349 218 HB3 ALA 32 HB3 ALA 32 13.699 0.766 -6.736 219 H ASP 33 HN ASP 33 11.628 -0.727 -8.073 220 HA ASP 33 HA ASP 33 11.245 0.995 -10.273 221 HB2 ASP 33 HB2 ASP 33 12.280 -1.194 -10.546 222 HB3 ASP 33 HB1 ASP 33 10.784 -1.986 -10.066 223 H CYS 34 HN CYS 34 8.946 -1.190 -8.624 224 HA CYS 34 HA CYS 34 6.793 -0.439 -10.355 225 HB2 CYS 34 HB2 CYS 34 5.428 -1.730 -8.575 226 HB3 CYS 34 HB1 CYS 34 6.635 -2.633 -9.490 227 H LEU 35 HN LEU 35 8.157 0.900 -7.535 228 HA LEU 35 HA LEU 35 5.783 2.414 -6.839 229 HB2 LEU 35 HB2 LEU 35 8.600 2.448 -5.791 230 HB3 LEU 35 HB1 LEU 35 7.339 3.512 -5.205 231 HG LEU 35 HG LEU 35 7.234 0.504 -5.051 232 HD11 LEU 35 HD11 LEU 35 7.535 1.116 -2.559 233 HD12 LEU 35 HD12 LEU 35 8.223 2.612 -3.185 234 HD13 LEU 35 HD13 LEU 35 8.949 1.064 -3.610 235 HD21 LEU 35 HD21 LEU 35 5.525 2.657 -3.808 236 HD22 LEU 35 HD22 LEU 35 5.408 0.934 -3.460 237 HD23 LEU 35 HD23 LEU 35 5.029 1.533 -5.073 238 H ASN 36 HN ASN 36 8.116 2.637 -9.157 239 HA ASN 36 HA ASN 36 8.793 4.234 -10.607 240 HB2 ASN 36 HB2 ASN 36 6.450 5.792 -9.495 241 HB3 ASN 36 HB1 ASN 36 7.305 6.157 -10.985 242 HD21 ASN 36 HD21 ASN 36 6.987 4.848 -12.788 243 HD22 ASN 36 HD22 ASN 36 5.668 3.735 -12.895 244 H LEU 37 HN LEU 37 10.015 4.151 -8.039 245 HA LEU 37 HA LEU 37 10.276 6.783 -6.961 246 HB2 LEU 37 HB2 LEU 37 11.896 4.284 -6.525 247 HB3 LEU 37 HB1 LEU 37 12.170 5.782 -5.660 248 HG LEU 37 HG LEU 37 9.723 4.024 -5.507 249 HD11 LEU 37 HD11 LEU 37 10.379 3.698 -3.211 250 HD12 LEU 37 HD12 LEU 37 11.735 4.808 -3.405 251 HD13 LEU 37 HD13 LEU 37 11.728 3.269 -4.263 252 HD21 LEU 37 HD21 LEU 37 8.912 5.606 -3.822 253 HD22 LEU 37 HD22 LEU 37 9.041 6.347 -5.416 254 HD23 LEU 37 HD23 LEU 37 10.266 6.678 -4.189 255 H THR 38 HN THR 38 10.827 7.820 -9.066 256 HA THR 38 HA THR 38 13.409 7.438 -10.187 257 HB THR 38 HB THR 38 11.685 9.924 -10.285 258 HG1 THR 38 HG1 THR 38 11.278 7.464 -11.292 259 HG21 THR 38 HG21 THR 38 13.862 8.936 -12.128 260 HG22 THR 38 HG22 THR 38 13.983 10.303 -11.020 261 HG23 THR 38 HG23 THR 38 12.868 10.371 -12.384 262 H LYS 39 HN LYS 39 12.134 9.351 -7.547 263 HA LYS 39 HA LYS 39 14.784 10.534 -7.095 264 HB2 LYS 39 HB2 LYS 39 12.166 11.179 -5.723 265 HB3 LYS 39 HB1 LYS 39 13.679 12.044 -5.525 266 HG2 LYS 39 HG2 LYS 39 13.582 12.790 -7.836 267 HG3 LYS 39 HG1 LYS 39 12.092 11.879 -8.082 268 HD2 LYS 39 HD2 LYS 39 12.474 14.167 -6.151 269 HD3 LYS 39 HD1 LYS 39 11.627 14.247 -7.697 270 HE2 LYS 39 HE2 LYS 39 10.841 12.602 -5.290 271 HE3 LYS 39 HE1 LYS 39 10.035 14.053 -5.878 272 HZ1 LYS 39 HZ1 LYS 39 9.492 12.862 -7.924 273 HZ2 LYS 39 HZ2 LYS 39 8.851 12.088 -6.569 274 HZ3 LYS 39 HZ3 LYS 39 10.227 11.463 -7.321 275 H ARG 40 HN ARG 40 16.068 9.411 -5.751 276 HA ARG 40 HA ARG 40 15.037 7.429 -3.975 277 HB2 ARG 40 HB2 ARG 40 17.298 7.270 -4.994 278 HB3 ARG 40 HB1 ARG 40 17.806 8.645 -4.024 279 HG2 ARG 40 HG2 ARG 40 17.404 7.385 -1.984 280 HG3 ARG 40 HG1 ARG 40 16.840 6.010 -2.931 281 HD2 ARG 40 HD2 ARG 40 19.116 5.623 -2.251 282 HD3 ARG 40 HD1 ARG 40 19.067 5.875 -3.994 283 HE ARG 40 HE ARG 40 19.585 8.322 -2.690 284 HH11 ARG 40 HH11 ARG 40 21.105 5.266 -3.438 285 HH12 ARG 40 HH12 ARG 40 22.712 5.920 -3.434 286 HH21 ARG 40 HH21 ARG 40 21.701 9.193 -2.688 287 HH22 ARG 40 HH22 ARG 40 23.049 8.156 -3.033 288 HA PRO 41 HA PRO 41 13.809 10.474 -0.968 289 HB2 PRO 41 HB2 PRO 41 13.000 8.726 0.953 290 HB3 PRO 41 HB1 PRO 41 12.030 9.126 -0.467 291 HG2 PRO 41 HG2 PRO 41 13.808 6.762 0.009 292 HG3 PRO 41 HG1 PRO 41 12.177 6.812 -0.693 293 HD2 PRO 41 HD2 PRO 41 14.360 6.626 -2.247 294 HD3 PRO 41 HD1 PRO 41 12.946 7.576 -2.754 295 H ALA 42 HN ALA 42 14.689 11.423 0.800 296 HA ALA 42 HA ALA 42 16.925 10.030 2.118 297 HB1 ALA 42 HB1 ALA 42 17.955 12.224 2.463 298 HB2 ALA 42 HB2 ALA 42 16.613 12.989 1.614 299 HB3 ALA 42 HB3 ALA 42 17.697 11.901 0.750 300 H GLY 43 HN GLY 43 16.889 9.934 4.329 301 HA2 GLY 43 HA2 GLY 43 16.201 10.383 6.502 302 HA3 GLY 43 HA1 GLY 43 15.220 11.703 5.884 303 H LYS 44 HN LYS 44 13.089 11.439 5.846 304 HA LYS 44 HA LYS 44 12.039 8.792 6.502 305 HB2 LYS 44 HB2 LYS 44 10.923 11.570 6.714 306 HB3 LYS 44 HB1 LYS 44 9.871 10.165 6.779 307 HG2 LYS 44 HG2 LYS 44 11.179 9.323 8.699 308 HG3 LYS 44 HG1 LYS 44 12.134 10.804 8.657 309 HD2 LYS 44 HD2 LYS 44 10.264 10.804 10.331 310 HD3 LYS 44 HD1 LYS 44 10.235 12.142 9.184 311 HE2 LYS 44 HE2 LYS 44 8.006 11.164 9.562 312 HE3 LYS 44 HE1 LYS 44 8.519 11.044 7.882 313 HZ1 LYS 44 HZ1 LYS 44 8.332 8.904 9.907 314 HZ2 LYS 44 HZ2 LYS 44 9.300 8.716 8.538 315 HZ3 LYS 44 HZ3 LYS 44 7.634 8.964 8.362 316 H TRP 45 HN TRP 45 11.203 7.566 4.971 317 HA TRP 45 HA TRP 45 9.929 8.893 2.691 318 HB2 TRP 45 HB2 TRP 45 11.779 7.491 1.959 319 HB3 TRP 45 HB1 TRP 45 11.119 6.119 2.843 320 HD1 TRP 45 HD1 TRP 45 9.865 8.507 0.034 321 HE1 TRP 45 HE1 TRP 45 8.535 7.108 -1.659 322 HE3 TRP 45 HE3 TRP 45 10.207 3.942 2.316 323 HZ2 TRP 45 HZ2 TRP 45 7.737 4.426 -1.987 324 HZ3 TRP 45 HZ3 TRP 45 9.130 2.006 1.237 325 HH2 TRP 45 HH2 TRP 45 7.921 2.248 -0.867 326 H GLU 46 HN GLU 46 7.806 8.929 2.863 327 HA GLU 46 HA GLU 46 6.405 6.836 4.345 328 HB2 GLU 46 HB2 GLU 46 5.266 9.295 2.995 329 HB3 GLU 46 HB1 GLU 46 4.463 8.274 4.177 330 HG2 GLU 46 HG2 GLU 46 6.937 9.865 4.792 331 HG3 GLU 46 HG1 GLU 46 5.306 10.490 5.013 332 H CYS 47 HN CYS 47 5.825 5.057 3.189 333 HA CYS 47 HA CYS 47 5.898 4.887 0.395 334 HB2 CYS 47 HB2 CYS 47 4.956 2.704 0.605 335 HB3 CYS 47 HB1 CYS 47 5.970 2.940 2.021 336 HA PRO 48 HA PRO 48 2.153 6.740 -0.999 337 HB2 PRO 48 HB2 PRO 48 1.559 5.143 -3.145 338 HB3 PRO 48 HB1 PRO 48 2.816 6.387 -3.162 339 HG2 PRO 48 HG2 PRO 48 3.073 3.433 -2.750 340 HG3 PRO 48 HG1 PRO 48 4.085 4.520 -3.721 341 HD2 PRO 48 HD2 PRO 48 4.846 3.673 -1.283 342 HD3 PRO 48 HD1 PRO 48 5.239 5.306 -1.864 343 H TRP 49 HN TRP 49 2.225 3.686 0.349 344 HA TRP 49 HA TRP 49 -0.573 3.040 0.053 345 HB2 TRP 49 HB2 TRP 49 1.449 1.432 0.494 346 HB3 TRP 49 HB1 TRP 49 1.236 1.908 2.178 347 HD1 TRP 49 HD1 TRP 49 -1.409 0.878 -0.492 348 HE1 TRP 49 HE1 TRP 49 -2.814 -1.047 0.495 349 HE3 TRP 49 HE3 TRP 49 0.958 0.377 4.016 350 HZ2 TRP 49 HZ2 TRP 49 -2.909 -2.560 2.875 351 HZ3 TRP 49 HZ3 TRP 49 0.141 -1.318 5.595 352 HH2 TRP 49 HH2 TRP 49 -1.758 -2.758 5.035 353 H HIS 50 HN HIS 50 1.120 5.336 1.719 354 HA HIS 50 HA HIS 50 -0.915 5.555 3.826 355 HB2 HIS 50 HB2 HIS 50 1.624 7.169 3.455 356 HB3 HIS 50 HB1 HIS 50 0.535 7.236 4.840 357 HD1 HIS 50 HD1 HIS 50 0.324 4.028 5.136 358 HD2 HIS 50 HD2 HIS 50 3.785 6.314 4.857 359 HE1 HIS 50 HE1 HIS 50 2.163 2.678 6.240 360 H GLN 51 HN GLN 51 -0.830 6.271 0.759 361 HA GLN 51 HA GLN 51 -1.765 9.046 1.061 362 HB2 GLN 51 HB2 GLN 51 -0.240 7.854 -1.261 363 HB3 GLN 51 HB1 GLN 51 -0.918 9.476 -1.222 364 HG2 GLN 51 HG2 GLN 51 1.094 8.490 0.771 365 HG3 GLN 51 HG1 GLN 51 1.533 9.307 -0.728 366 HE21 GLN 51 HE21 GLN 51 -0.023 9.669 2.393 367 HE22 GLN 51 HE22 GLN 51 0.009 11.398 2.406 368 H CYS 52 HN CYS 52 -3.682 9.535 0.258 369 HA CYS 52 HA CYS 52 -5.426 7.492 -0.637 370 HB2 CYS 52 HB2 CYS 52 -6.224 9.453 0.588 371 HB3 CYS 52 HB1 CYS 52 -5.714 10.500 -0.729 372 H ASP 53 HN ASP 53 -5.620 6.666 -2.582 373 HA ASP 53 HA ASP 53 -4.057 7.395 -4.780 374 HB2 ASP 53 HB2 ASP 53 -4.993 5.149 -4.512 375 HB3 ASP 53 HB1 ASP 53 -6.623 5.778 -4.711 376 H VAL 54 HN VAL 54 -7.032 8.720 -3.684 377 HA VAL 54 HA VAL 54 -7.744 9.758 -6.302 378 HB VAL 54 HB VAL 54 -9.136 10.098 -3.644 379 HG11 VAL 54 HG11 VAL 54 -11.025 10.913 -4.953 380 HG12 VAL 54 HG12 VAL 54 -10.056 10.808 -6.422 381 HG13 VAL 54 HG13 VAL 54 -9.610 11.949 -5.152 382 HG21 VAL 54 HG21 VAL 54 -9.193 7.797 -4.376 383 HG22 VAL 54 HG22 VAL 54 -9.712 8.293 -5.988 384 HG23 VAL 54 HG23 VAL 54 -10.783 8.529 -4.606 385 H CYS 55 HN CYS 55 -7.079 11.180 -3.059 386 HA CYS 55 HA CYS 55 -6.757 13.744 -4.457 387 HB2 CYS 55 HB2 CYS 55 -7.269 14.842 -2.339 388 HB3 CYS 55 HB1 CYS 55 -8.542 13.729 -2.816 389 H GLY 56 HN GLY 56 -4.907 11.381 -2.910 390 HA2 GLY 56 HA2 GLY 56 -2.615 11.349 -2.620 391 HA3 GLY 56 HA1 GLY 56 -2.568 13.039 -3.099 392 H LYS 57 HN LYS 57 -4.817 12.850 -0.693 393 HA LYS 57 HA LYS 57 -2.933 13.915 1.219 394 HB2 LYS 57 HB2 LYS 57 -5.932 13.624 1.317 395 HB3 LYS 57 HB1 LYS 57 -4.975 14.311 2.619 396 HG2 LYS 57 HG2 LYS 57 -4.180 16.064 1.095 397 HG3 LYS 57 HG1 LYS 57 -5.193 15.388 -0.184 398 HD2 LYS 57 HD2 LYS 57 -7.187 15.852 1.076 399 HD3 LYS 57 HD1 LYS 57 -6.237 16.357 2.474 400 HE2 LYS 57 HE2 LYS 57 -7.081 18.300 1.301 401 HE3 LYS 57 HE1 LYS 57 -5.326 18.223 1.157 402 HZ1 LYS 57 HZ1 LYS 57 -5.574 17.328 -1.061 403 HZ2 LYS 57 HZ2 LYS 57 -6.396 18.799 -0.938 404 HZ3 LYS 57 HZ3 LYS 57 -7.260 17.346 -0.919 405 H GLU 58 HN GLU 58 -3.701 13.278 3.614 406 HA GLU 58 HA GLU 58 -2.507 10.867 4.208 407 HB2 GLU 58 HB2 GLU 58 -2.935 12.775 5.773 408 HB3 GLU 58 HB1 GLU 58 -4.613 12.265 5.865 409 HG2 GLU 58 HG2 GLU 58 -3.573 11.413 7.784 410 HG3 GLU 58 HG1 GLU 58 -3.768 10.042 6.693 411 H ALA 59 HN ALA 59 -3.121 8.859 3.787 412 HA ALA 59 HA ALA 59 -5.862 8.193 3.211 413 HB1 ALA 59 HB1 ALA 59 -4.095 7.137 1.944 414 HB2 ALA 59 HB2 ALA 59 -4.996 5.924 2.853 415 HB3 ALA 59 HB3 ALA 59 -3.411 6.455 3.420 416 H ALA 60 HN ALA 60 -7.217 6.895 4.387 417 HA ALA 60 HA ALA 60 -6.484 6.525 7.212 418 HB1 ALA 60 HB1 ALA 60 -9.218 6.853 5.979 419 HB2 ALA 60 HB2 ALA 60 -8.327 8.086 6.873 420 HB3 ALA 60 HB3 ALA 60 -8.881 6.627 7.696 421 H SER 61 HN SER 61 -8.068 5.070 4.423 422 HA SER 61 HA SER 61 -7.931 2.465 5.769 423 HB2 SER 61 HB2 SER 61 -9.706 1.785 4.152 424 HB3 SER 61 HB1 SER 61 -10.212 3.078 5.235 425 HG SER 61 HG SER 61 -10.537 3.203 2.775 426 H PHE 62 HN PHE 62 -7.233 0.666 4.486 427 HA PHE 62 HA PHE 62 -5.563 1.474 2.199 428 HB2 PHE 62 HB2 PHE 62 -4.683 -0.553 4.258 429 HB3 PHE 62 HB1 PHE 62 -3.694 0.293 3.063 430 HD1 PHE 62 HD1 PHE 62 -4.856 0.268 6.437 431 HD2 PHE 62 HD2 PHE 62 -3.424 2.822 3.348 432 HE1 PHE 62 HE1 PHE 62 -4.247 1.956 8.114 433 HE2 PHE 62 HE2 PHE 62 -2.821 4.513 5.026 434 HZ PHE 62 HZ PHE 62 -3.335 4.089 7.442 435 H CYS 63 HN CYS 63 -5.912 0.222 0.423 436 HA CYS 63 HA CYS 63 -7.547 -2.111 0.545 437 HB2 CYS 63 HB2 CYS 63 -7.295 -0.636 -1.504 438 HB3 CYS 63 HB1 CYS 63 -5.706 -1.364 -1.737 439 H GLU 64 HN GLU 64 -6.981 -4.114 1.034 440 HA GLU 64 HA GLU 64 -4.190 -4.606 1.685 441 HB2 GLU 64 HB2 GLU 64 -6.653 -6.293 2.152 442 HB3 GLU 64 HB1 GLU 64 -5.045 -6.656 2.763 443 HG2 GLU 64 HG2 GLU 64 -5.080 -4.581 4.070 444 HG3 GLU 64 HG1 GLU 64 -6.701 -4.240 3.468 445 H MET 65 HN MET 65 -5.316 -4.549 -1.131 446 HA MET 65 HA MET 65 -4.073 -7.091 -1.944 447 HB2 MET 65 HB2 MET 65 -6.471 -5.777 -3.223 448 HB3 MET 65 HB1 MET 65 -5.607 -7.162 -3.890 449 HG2 MET 65 HG2 MET 65 -6.201 -8.490 -1.942 450 HG3 MET 65 HG1 MET 65 -7.038 -7.108 -1.238 451 HE1 MET 65 HE1 MET 65 -9.959 -9.537 -2.203 452 HE2 MET 65 HE2 MET 65 -9.171 -8.647 -0.900 453 HE3 MET 65 HE3 MET 65 -8.354 -10.016 -1.655 454 H CYS 66 HN CYS 66 -4.011 -3.714 -2.165 455 HA CYS 66 HA CYS 66 -1.976 -3.790 -4.180 456 HB2 CYS 66 HB2 CYS 66 -3.066 -2.492 -5.864 457 HB3 CYS 66 HB1 CYS 66 -4.180 -3.795 -5.465 458 HA PRO 67 HA PRO 67 -0.759 -0.126 -2.025 459 HB2 PRO 67 HB2 PRO 67 0.239 1.173 -4.444 460 HB3 PRO 67 HB1 PRO 67 1.149 0.460 -3.110 461 HG2 PRO 67 HG2 PRO 67 1.109 -0.641 -5.568 462 HG3 PRO 67 HG1 PRO 67 1.215 -1.617 -4.091 463 HD2 PRO 67 HD2 PRO 67 -1.207 -1.017 -5.780 464 HD3 PRO 67 HD1 PRO 67 -0.666 -2.576 -5.102 465 H SER 68 HN SER 68 -3.494 -0.013 -3.454 466 HA SER 68 HA SER 68 -3.699 2.894 -3.741 467 HB2 SER 68 HB2 SER 68 -5.765 0.752 -4.324 468 HB3 SER 68 HB1 SER 68 -5.931 2.475 -4.667 469 HG SER 68 HG SER 68 -3.796 2.013 -5.872 470 H SER 69 HN SER 69 -3.778 3.738 -1.740 471 HA SER 69 HA SER 69 -5.758 2.663 0.144 472 HB2 SER 69 HB2 SER 69 -4.473 4.228 1.760 473 HB3 SER 69 HB1 SER 69 -3.664 2.751 1.228 474 HG SER 69 HG SER 69 -3.331 5.226 -0.119 475 H PHE 70 HN PHE 70 -7.028 4.345 1.398 476 HA PHE 70 HA PHE 70 -7.549 6.702 -0.289 477 HB2 PHE 70 HB2 PHE 70 -9.682 4.817 0.745 478 HB3 PHE 70 HB1 PHE 70 -9.968 6.315 -0.143 479 HD1 PHE 70 HD1 PHE 70 -9.067 6.477 -2.515 480 HD2 PHE 70 HD2 PHE 70 -9.385 2.808 -0.383 481 HE1 PHE 70 HE1 PHE 70 -8.985 5.238 -4.640 482 HE2 PHE 70 HE2 PHE 70 -9.299 1.563 -2.501 483 HZ PHE 70 HZ PHE 70 -9.098 2.778 -4.636 484 H CYS 71 HN CYS 71 -8.540 8.451 0.768 485 HA CYS 71 HA CYS 71 -7.991 8.613 3.595 486 HB2 CYS 71 HB2 CYS 71 -8.560 10.949 3.386 487 HB3 CYS 71 HB1 CYS 71 -7.569 10.499 2.002 488 H LYS 72 HN LYS 72 -9.847 9.882 4.900 489 HA LYS 72 HA LYS 72 -11.885 8.025 5.338 490 HB2 LYS 72 HB2 LYS 72 -11.816 10.954 6.057 491 HB3 LYS 72 HB1 LYS 72 -12.971 9.793 6.695 492 HG2 LYS 72 HG2 LYS 72 -11.140 8.525 7.699 493 HG3 LYS 72 HG1 LYS 72 -9.987 9.700 7.065 494 HD2 LYS 72 HD2 LYS 72 -11.112 11.464 8.377 495 HD3 LYS 72 HD1 LYS 72 -12.189 10.240 9.053 496 HE2 LYS 72 HE2 LYS 72 -10.282 9.078 10.016 497 HE3 LYS 72 HE1 LYS 72 -9.188 10.264 9.312 498 HZ1 LYS 72 HZ1 LYS 72 -10.270 11.971 10.665 499 HZ2 LYS 72 HZ2 LYS 72 -9.579 10.757 11.618 500 HZ3 LYS 72 HZ3 LYS 72 -11.251 10.792 11.377 501 H GLN 73 HN GLN 73 -11.756 10.794 3.232 502 HA GLN 73 HA GLN 73 -14.569 10.886 2.702 503 HB2 GLN 73 HB2 GLN 73 -12.236 12.117 1.245 504 HB3 GLN 73 HB1 GLN 73 -13.924 12.468 0.904 505 HG2 GLN 73 HG2 GLN 73 -12.539 12.973 3.527 506 HG3 GLN 73 HG1 GLN 73 -12.836 14.187 2.282 507 HE21 GLN 73 HE21 GLN 73 -13.756 14.000 5.083 508 HE22 GLN 73 HE22 GLN 73 -15.481 14.093 5.007 509 H HIS 74 HN HIS 74 -11.733 9.715 0.928 510 HA HIS 74 HA HIS 74 -13.477 8.945 -1.278 511 HB2 HIS 74 HB2 HIS 74 -10.458 9.048 -1.080 512 HB3 HIS 74 HB1 HIS 74 -11.354 8.569 -2.528 513 HD2 HIS 74 HD2 HIS 74 -13.600 10.916 -2.461 514 HE1 HIS 74 HE1 HIS 74 -10.286 13.527 -2.508 515 HE2 HIS 74 HE2 HIS 74 -12.806 13.372 -2.687 516 H ARG 75 HN ARG 75 -12.883 7.439 1.420 517 HA ARG 75 HA ARG 75 -12.225 4.842 0.300 518 HB2 ARG 75 HB2 ARG 75 -12.447 3.993 2.577 519 HB3 ARG 75 HB1 ARG 75 -11.368 5.377 2.519 520 HG2 ARG 75 HG2 ARG 75 -13.210 6.799 3.332 521 HG3 ARG 75 HG1 ARG 75 -14.224 5.362 3.462 522 HD2 ARG 75 HD2 ARG 75 -12.685 4.393 5.068 523 HD3 ARG 75 HD1 ARG 75 -11.600 5.768 4.901 524 HE ARG 75 HE ARG 75 -14.032 6.821 5.656 525 HH11 ARG 75 HH11 ARG 75 -11.835 4.448 6.997 526 HH12 ARG 75 HH12 ARG 75 -12.163 4.884 8.643 527 HH21 ARG 75 HH21 ARG 75 -14.475 7.382 7.832 528 HH22 ARG 75 HH22 ARG 75 -13.663 6.545 9.115 529 H GLU 76 HN GLU 76 -14.992 6.729 0.985 530 HA GLU 76 HA GLU 76 -16.875 4.651 1.353 531 HB2 GLU 76 HB2 GLU 76 -17.179 7.503 0.418 532 HB3 GLU 76 HB1 GLU 76 -18.544 6.426 0.679 533 HG2 GLU 76 HG2 GLU 76 -17.878 6.184 3.029 534 HG3 GLU 76 HG1 GLU 76 -16.551 7.310 2.755 535 H GLY 77 HN GLY 77 -17.623 3.237 -0.106 536 HA2 GLY 77 HA2 GLY 77 -18.479 2.464 -2.108 537 HA3 GLY 77 HA1 GLY 77 -18.199 4.055 -2.800 538 H MET 78 HN MET 78 -15.324 3.934 -1.972 539 HA MET 78 HA MET 78 -14.451 2.590 -4.397 540 HB2 MET 78 HB2 MET 78 -12.958 4.379 -2.460 541 HB3 MET 78 HB1 MET 78 -12.256 3.688 -3.916 542 HG2 MET 78 HG2 MET 78 -14.571 5.621 -3.805 543 HG3 MET 78 HG1 MET 78 -12.918 5.996 -4.287 544 HE1 MET 78 HE1 MET 78 -12.556 4.009 -7.636 545 HE2 MET 78 HE2 MET 78 -12.130 3.424 -6.028 546 HE3 MET 78 HE3 MET 78 -11.772 5.090 -6.484 547 H LEU 79 HN LEU 79 -14.203 2.205 -0.947 548 HA LEU 79 HA LEU 79 -12.629 -0.241 -1.400 549 HB2 LEU 79 HB2 LEU 79 -11.521 1.755 -0.170 550 HB3 LEU 79 HB1 LEU 79 -12.591 1.343 1.158 551 HG LEU 79 HG LEU 79 -11.563 -0.916 1.243 552 HD11 LEU 79 HD11 LEU 79 -9.422 -1.251 0.064 553 HD12 LEU 79 HD12 LEU 79 -9.713 0.240 -0.833 554 HD13 LEU 79 HD13 LEU 79 -10.796 -1.135 -1.031 555 HD21 LEU 79 HD21 LEU 79 -10.758 0.745 2.758 556 HD22 LEU 79 HD22 LEU 79 -9.749 1.470 1.508 557 HD23 LEU 79 HD23 LEU 79 -9.363 -0.133 2.129 558 H PHE 80 HN PHE 80 -13.344 -2.082 -0.362 559 HA PHE 80 HA PHE 80 -15.569 -1.901 1.511 560 HB2 PHE 80 HB2 PHE 80 -16.906 -3.546 0.195 561 HB3 PHE 80 HB1 PHE 80 -16.720 -2.007 -0.626 562 HD1 PHE 80 HD1 PHE 80 -15.688 -1.871 -2.761 563 HD2 PHE 80 HD2 PHE 80 -15.548 -5.512 -0.550 564 HE1 PHE 80 HE1 PHE 80 -14.844 -3.049 -4.744 565 HE2 PHE 80 HE2 PHE 80 -14.703 -6.683 -2.535 566 HZ PHE 80 HZ PHE 80 -14.349 -5.453 -4.635 567 H ILE 81 HN ILE 81 -16.092 -4.095 2.407 568 HA ILE 81 HA ILE 81 -13.621 -5.531 2.913 569 HB ILE 81 HB ILE 81 -16.371 -5.711 4.127 570 HG12 ILE 81 HG12 ILE 81 -14.860 -3.833 4.793 571 HG13 ILE 81 HG11 ILE 81 -15.299 -4.895 6.124 572 HG21 ILE 81 HG21 ILE 81 -13.979 -7.439 4.712 573 HG22 ILE 81 HG22 ILE 81 -15.524 -7.964 4.044 574 HG23 ILE 81 HG23 ILE 81 -15.437 -7.363 5.700 575 HD11 ILE 81 HD11 ILE 81 -12.687 -4.865 4.635 576 HD12 ILE 81 HD12 ILE 81 -13.124 -6.031 5.884 577 HD13 ILE 81 HD13 ILE 81 -12.981 -4.320 6.286 578 H SER 82 HN SER 82 -13.076 -7.391 2.031 579 HA SER 82 HA SER 82 -14.737 -8.689 0.094 580 HB2 SER 82 HB2 SER 82 -12.307 -8.661 -0.172 581 HB3 SER 82 HB1 SER 82 -12.109 -9.512 1.358 582 HG SER 82 HG SER 82 -13.339 -10.490 -1.012 583 H LYS 83 HN LYS 83 -16.191 -10.254 0.464 584 HA LYS 83 HA LYS 83 -16.721 -11.104 3.140 585 HB2 LYS 83 HB2 LYS 83 -17.870 -12.040 0.512 586 HB3 LYS 83 HB1 LYS 83 -18.471 -12.518 2.092 587 HG2 LYS 83 HG2 LYS 83 -18.961 -10.146 2.582 588 HG3 LYS 83 HG1 LYS 83 -18.456 -9.736 0.942 589 HD2 LYS 83 HD2 LYS 83 -20.718 -11.593 1.678 590 HD3 LYS 83 HD1 LYS 83 -20.893 -9.929 1.121 591 HE2 LYS 83 HE2 LYS 83 -19.709 -12.224 -0.435 592 HE3 LYS 83 HE1 LYS 83 -21.289 -11.491 -0.698 593 HZ1 LYS 83 HZ1 LYS 83 -20.124 -9.388 -1.200 594 HZ2 LYS 83 HZ2 LYS 83 -19.757 -10.625 -2.290 595 HZ3 LYS 83 HZ3 LYS 83 -18.646 -10.201 -1.090 596 H LEU 84 HN LEU 84 -14.663 -12.210 0.691 597 HA LEU 84 HA LEU 84 -14.637 -14.969 1.530 598 HB2 LEU 84 HB2 LEU 84 -12.866 -13.435 -0.357 599 HB3 LEU 84 HB1 LEU 84 -12.768 -15.164 -0.089 600 HG LEU 84 HG LEU 84 -15.191 -13.746 -1.198 601 HD11 LEU 84 HD11 LEU 84 -13.052 -15.323 -2.616 602 HD12 LEU 84 HD12 LEU 84 -13.321 -13.585 -2.741 603 HD13 LEU 84 HD13 LEU 84 -14.535 -14.711 -3.346 604 HD21 LEU 84 HD21 LEU 84 -15.757 -15.816 -0.073 605 HD22 LEU 84 HD22 LEU 84 -14.498 -16.671 -0.963 606 HD23 LEU 84 HD23 LEU 84 -15.895 -16.020 -1.819 607 H ASP 85 HN ASP 85 -12.273 -12.286 1.591 608 HA ASP 85 HA ASP 85 -10.663 -13.880 3.452 609 HB2 ASP 85 HB2 ASP 85 -9.936 -11.503 1.746 610 HB3 ASP 85 HB1 ASP 85 -8.859 -12.187 2.956 611 H GLY 86 HN GLY 86 -12.785 -11.252 3.481 612 HA2 GLY 86 HA2 GLY 86 -13.412 -9.845 5.195 613 HA3 GLY 86 HA1 GLY 86 -12.246 -10.656 6.230 614 H ARG 87 HN ARG 87 -10.888 -9.621 3.360 615 HA ARG 87 HA ARG 87 -9.443 -7.499 4.738 616 HB2 ARG 87 HB2 ARG 87 -8.990 -8.839 2.066 617 HB3 ARG 87 HB1 ARG 87 -7.930 -7.629 2.778 618 HG2 ARG 87 HG2 ARG 87 -7.427 -9.107 4.622 619 HG3 ARG 87 HG1 ARG 87 -8.562 -10.305 3.998 620 HD2 ARG 87 HD2 ARG 87 -7.201 -10.489 1.953 621 HD3 ARG 87 HD1 ARG 87 -6.052 -9.337 2.639 622 HE ARG 87 HE ARG 87 -6.294 -11.346 4.502 623 HH11 ARG 87 HH11 ARG 87 -5.308 -11.141 1.151 624 HH12 ARG 87 HH12 ARG 87 -4.203 -12.469 1.266 625 HH21 ARG 87 HH21 ARG 87 -4.841 -13.085 4.656 626 HH22 ARG 87 HH22 ARG 87 -3.932 -13.575 3.261 627 H LEU 88 HN LEU 88 -9.195 -5.417 3.843 628 HA LEU 88 HA LEU 88 -11.490 -4.423 2.445 629 HB2 LEU 88 HB2 LEU 88 -8.928 -3.188 3.396 630 HB3 LEU 88 HB1 LEU 88 -10.015 -2.300 2.353 631 HG LEU 88 HG LEU 88 -10.881 -3.467 4.987 632 HD11 LEU 88 HD11 LEU 88 -9.914 -0.678 4.376 633 HD12 LEU 88 HD12 LEU 88 -9.089 -1.868 5.381 634 HD13 LEU 88 HD13 LEU 88 -10.640 -1.205 5.894 635 HD21 LEU 88 HD21 LEU 88 -12.688 -1.802 4.757 636 HD22 LEU 88 HD22 LEU 88 -12.700 -2.989 3.456 637 HD23 LEU 88 HD23 LEU 88 -12.062 -1.371 3.168 638 H SER 89 HN SER 89 -11.801 -4.347 0.349 639 HA SER 89 HA SER 89 -9.468 -4.466 -1.443 640 HB2 SER 89 HB2 SER 89 -10.651 -6.670 -1.266 641 HB3 SER 89 HB1 SER 89 -12.108 -5.892 -1.882 642 HG SER 89 HG SER 89 -9.795 -6.655 -3.201 643 H CYS 90 HN CYS 90 -9.515 -3.094 -3.143 644 HA CYS 90 HA CYS 90 -11.553 -1.048 -3.148 645 HB2 CYS 90 HB2 CYS 90 -10.115 0.149 -4.678 646 HB3 CYS 90 HB1 CYS 90 -9.107 -0.530 -3.402 647 H THR 91 HN THR 91 -12.395 -0.272 -5.301 648 HA THR 91 HA THR 91 -13.906 -2.340 -6.513 649 HB THR 91 HB THR 91 -14.638 -0.502 -8.073 650 HG1 THR 91 HG1 THR 91 -12.737 0.783 -7.968 651 HG21 THR 91 HG21 THR 91 -15.909 -0.962 -6.075 652 HG22 THR 91 HG22 THR 91 -15.815 0.781 -6.309 653 HG23 THR 91 HG23 THR 91 -14.797 -0.003 -5.101 654 H GLU 92 HN GLU 92 -10.753 -1.470 -7.043 655 HA GLU 92 HA GLU 92 -10.809 -1.627 -9.939 656 HB2 GLU 92 HB2 GLU 92 -8.427 -1.347 -8.103 657 HB3 GLU 92 HB1 GLU 92 -8.470 -1.041 -9.834 658 HG2 GLU 92 HG2 GLU 92 -9.896 0.535 -7.702 659 HG3 GLU 92 HG1 GLU 92 -8.474 1.042 -8.606 660 H HIS 93 HN HIS 93 -11.257 -3.902 -7.881 661 HA HIS 93 HA HIS 93 -9.405 -5.805 -9.167 662 HB2 HIS 93 HB2 HIS 93 -10.579 -5.972 -6.378 663 HB3 HIS 93 HB1 HIS 93 -9.558 -7.189 -7.128 664 HD1 HIS 93 HD1 HIS 93 -7.608 -4.725 -8.270 665 HD2 HIS 93 HD2 HIS 93 -8.672 -5.701 -4.381 666 HE1 HIS 93 HE1 HIS 93 -5.795 -3.784 -6.775 667 H ASP 94 HN ASP 94 -11.646 -5.249 -10.499 668 HA ASP 94 HA ASP 94 -13.672 -7.215 -9.755 669 HB2 ASP 94 HB2 ASP 94 -14.451 -4.989 -10.439 670 HB3 ASP 94 HB1 ASP 94 -13.661 -5.189 -11.997 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 15.754 -4.843 14.844 2 H2 GLY 1 HT2 GLY 1 16.243 -6.395 14.391 3 H3 GLY 1 HT3 GLY 1 15.521 -6.145 15.900 4 HA2 GLY 1 HA1 GLY 1 14.221 -5.852 13.253 5 HA3 GLY 1 HA2 GLY 1 13.939 -7.144 14.411 6 H ALA 2 HN ALA 2 12.615 -6.815 16.135 7 HA ALA 2 HA ALA 2 10.947 -5.942 17.386 8 HB1 ALA 2 HB1 ALA 2 12.536 -4.181 17.973 9 HB2 ALA 2 HB2 ALA 2 10.887 -3.565 17.879 10 HB3 ALA 2 HB3 ALA 2 12.023 -3.248 16.567 11 H MET 3 HN MET 3 11.098 -3.541 14.759 12 HA MET 3 HA MET 3 8.270 -3.904 14.235 13 HB2 MET 3 HB2 MET 3 10.327 -2.128 12.911 14 HB3 MET 3 HB1 MET 3 8.608 -2.121 12.545 15 HG2 MET 3 HG2 MET 3 9.850 -1.428 15.197 16 HG3 MET 3 HG1 MET 3 9.217 -0.287 14.015 17 HE1 MET 3 HE1 MET 3 7.734 0.822 15.917 18 HE2 MET 3 HE2 MET 3 8.352 -0.338 17.091 19 HE3 MET 3 HE3 MET 3 6.614 -0.083 16.937 20 H GLU 4 HN GLU 4 7.779 -5.708 13.179 21 HA GLU 4 HA GLU 4 9.620 -7.010 11.433 22 HB2 GLU 4 HB2 GLU 4 6.789 -7.562 12.250 23 HB3 GLU 4 HB1 GLU 4 7.595 -8.527 11.022 24 HG2 GLU 4 HG2 GLU 4 8.509 -8.151 13.861 25 HG3 GLU 4 HG1 GLU 4 7.730 -9.587 13.196 26 H ARG 5 HN ARG 5 9.527 -7.345 9.268 27 HA ARG 5 HA ARG 5 7.564 -5.817 7.705 28 HB2 ARG 5 HB2 ARG 5 10.536 -6.010 7.178 29 HB3 ARG 5 HB1 ARG 5 9.369 -5.267 6.095 30 HG2 ARG 5 HG2 ARG 5 8.913 -3.532 7.701 31 HG3 ARG 5 HG1 ARG 5 9.950 -4.320 8.895 32 HD2 ARG 5 HD2 ARG 5 10.816 -3.164 6.246 33 HD3 ARG 5 HD1 ARG 5 11.132 -2.481 7.840 34 HE ARG 5 HE ARG 5 12.423 -4.595 8.264 35 HH11 ARG 5 HH11 ARG 5 12.012 -3.310 5.038 36 HH12 ARG 5 HH12 ARG 5 13.436 -4.076 4.412 37 HH21 ARG 5 HH21 ARG 5 14.304 -5.604 7.447 38 HH22 ARG 5 HH22 ARG 5 14.739 -5.384 5.783 39 H GLU 6 HN GLU 6 7.038 -6.744 5.688 40 HA GLU 6 HA GLU 6 7.576 -9.588 5.462 41 HB2 GLU 6 HB2 GLU 6 5.882 -7.717 3.789 42 HB3 GLU 6 HB1 GLU 6 5.969 -9.461 3.567 43 HG2 GLU 6 HG2 GLU 6 4.952 -9.863 5.670 44 HG3 GLU 6 HG1 GLU 6 5.104 -8.173 6.139 45 H ASP 7 HN ASP 7 8.939 -10.502 3.959 46 HA ASP 7 HA ASP 7 10.637 -8.601 2.518 47 HB2 ASP 7 HB2 ASP 7 11.629 -10.362 4.064 48 HB3 ASP 7 HB1 ASP 7 11.156 -11.553 2.855 49 H GLU 8 HN GLU 8 8.516 -8.499 1.210 50 HA GLU 8 HA GLU 8 9.082 -9.680 -1.325 51 HB2 GLU 8 HB2 GLU 8 7.866 -11.533 -0.191 52 HB3 GLU 8 HB1 GLU 8 6.508 -10.450 0.072 53 HG2 GLU 8 HG2 GLU 8 6.167 -10.253 -2.316 54 HG3 GLU 8 HG1 GLU 8 7.576 -11.268 -2.621 55 H CYS 9 HN CYS 9 7.825 -8.658 -3.009 56 HA CYS 9 HA CYS 9 6.981 -6.008 -2.224 57 HB2 CYS 9 HB2 CYS 9 8.288 -6.249 -4.267 58 HB3 CYS 9 HB1 CYS 9 7.082 -7.355 -4.926 59 H PHE 10 HN PHE 10 5.004 -5.669 -1.545 60 HA PHE 10 HA PHE 10 2.911 -7.549 -1.805 61 HB2 PHE 10 HB2 PHE 10 3.108 -6.013 0.096 62 HB3 PHE 10 HB1 PHE 10 2.841 -4.638 -0.965 63 HD1 PHE 10 HD1 PHE 10 0.707 -3.790 -1.199 64 HD2 PHE 10 HD2 PHE 10 1.222 -7.795 0.151 65 HE1 PHE 10 HE1 PHE 10 -1.714 -3.969 -0.811 66 HE2 PHE 10 HE2 PHE 10 -1.197 -7.976 0.538 67 HZ PHE 10 HZ PHE 10 -2.656 -6.023 0.123 68 H SER 11 HN SER 11 4.010 -5.041 -3.872 69 HA SER 11 HA SER 11 1.544 -4.677 -5.289 70 HB2 SER 11 HB2 SER 11 4.355 -3.990 -6.168 71 HB3 SER 11 HB1 SER 11 2.859 -3.374 -6.867 72 HG SER 11 HG SER 11 2.839 -1.915 -5.375 73 H CYS 12 HN CYS 12 4.441 -6.679 -5.734 74 HA CYS 12 HA CYS 12 3.336 -7.589 -8.311 75 HB2 CYS 12 HB2 CYS 12 6.200 -7.742 -7.358 76 HB3 CYS 12 HB1 CYS 12 5.605 -8.155 -8.967 77 H GLY 13 HN GLY 13 4.374 -8.680 -5.170 78 HA2 GLY 13 HA2 GLY 13 3.974 -10.782 -4.229 79 HA3 GLY 13 HA1 GLY 13 3.541 -11.391 -5.822 80 H ASP 14 HN ASP 14 6.393 -9.646 -5.926 81 HA ASP 14 HA ASP 14 7.993 -12.109 -5.785 82 HB2 ASP 14 HB2 ASP 14 8.327 -9.722 -7.612 83 HB3 ASP 14 HB1 ASP 14 9.488 -11.036 -7.483 84 H ALA 15 HN ALA 15 10.181 -11.874 -5.089 85 HA ALA 15 HA ALA 15 10.602 -9.531 -3.357 86 HB1 ALA 15 HB1 ALA 15 10.242 -11.597 -2.095 87 HB2 ALA 15 HB2 ALA 15 11.876 -10.975 -1.874 88 HB3 ALA 15 HB3 ALA 15 11.593 -12.348 -2.944 89 H GLY 16 HN GLY 16 12.870 -8.912 -3.037 90 HA2 GLY 16 HA2 GLY 16 15.125 -9.628 -4.238 91 HA3 GLY 16 HA1 GLY 16 14.227 -8.996 -5.611 92 H GLN 17 HN GLN 17 14.819 -6.985 -6.096 93 HA GLN 17 HA GLN 17 16.175 -5.309 -4.210 94 HB2 GLN 17 HB2 GLN 17 16.731 -5.317 -6.618 95 HB3 GLN 17 HB1 GLN 17 15.148 -4.634 -6.967 96 HG2 GLN 17 HG2 GLN 17 16.894 -2.935 -6.985 97 HG3 GLN 17 HG1 GLN 17 15.704 -2.638 -5.721 98 HE21 GLN 17 HE21 GLN 17 17.132 -1.362 -4.551 99 HE22 GLN 17 HE22 GLN 17 18.458 -2.037 -3.671 100 H LEU 18 HN LEU 18 14.689 -5.045 -2.565 101 HA LEU 18 HA LEU 18 12.232 -3.598 -3.232 102 HB2 LEU 18 HB2 LEU 18 12.945 -5.175 -0.759 103 HB3 LEU 18 HB1 LEU 18 11.411 -4.375 -1.048 104 HG LEU 18 HG LEU 18 12.426 -6.507 -2.899 105 HD11 LEU 18 HD11 LEU 18 12.358 -7.455 -0.643 106 HD12 LEU 18 HD12 LEU 18 11.100 -8.126 -1.680 107 HD13 LEU 18 HD13 LEU 18 10.691 -6.908 -0.476 108 HD21 LEU 18 HD21 LEU 18 10.076 -6.726 -3.437 109 HD22 LEU 18 HD22 LEU 18 10.630 -5.072 -3.691 110 HD23 LEU 18 HD23 LEU 18 9.679 -5.475 -2.262 111 H VAL 19 HN VAL 19 11.761 -1.685 -2.335 112 HA VAL 19 HA VAL 19 13.691 -0.504 -0.458 113 HB VAL 19 HB VAL 19 13.532 0.852 -2.446 114 HG11 VAL 19 HG11 VAL 19 11.380 1.873 -3.155 115 HG12 VAL 19 HG12 VAL 19 10.549 0.801 -2.026 116 HG13 VAL 19 HG13 VAL 19 11.453 0.127 -3.383 117 HG21 VAL 19 HG21 VAL 19 12.728 2.980 -1.513 118 HG22 VAL 19 HG22 VAL 19 13.717 2.075 -0.366 119 HG23 VAL 19 HG23 VAL 19 11.962 2.096 -0.194 120 H SER 20 HN SER 20 12.994 -0.002 1.549 121 HA SER 20 HA SER 20 10.328 -1.019 2.175 122 HB2 SER 20 HB2 SER 20 12.322 -2.057 3.258 123 HB3 SER 20 HB1 SER 20 12.652 -0.517 4.046 124 HG SER 20 HG SER 20 10.935 -0.773 5.322 125 H CYS 21 HN CYS 21 8.963 0.009 3.603 126 HA CYS 21 HA CYS 21 8.879 2.851 3.447 127 HB2 CYS 21 HB2 CYS 21 6.912 1.217 3.643 128 HB3 CYS 21 HB1 CYS 21 7.318 1.103 5.355 129 H LYS 22 HN LYS 22 9.681 4.332 4.874 130 HA LYS 22 HA LYS 22 11.415 3.284 6.949 131 HB2 LYS 22 HB2 LYS 22 12.043 5.106 5.275 132 HB3 LYS 22 HB1 LYS 22 11.022 6.182 6.219 133 HG2 LYS 22 HG2 LYS 22 12.415 5.987 8.122 134 HG3 LYS 22 HG1 LYS 22 13.306 4.638 7.416 135 HD2 LYS 22 HD2 LYS 22 13.282 7.444 6.310 136 HD3 LYS 22 HD1 LYS 22 14.546 6.786 7.349 137 HE2 LYS 22 HE2 LYS 22 14.958 5.021 5.662 138 HE3 LYS 22 HE1 LYS 22 13.758 5.777 4.617 139 HZ1 LYS 22 HZ1 LYS 22 15.943 6.466 3.967 140 HZ2 LYS 22 HZ2 LYS 22 16.307 6.984 5.534 141 HZ3 LYS 22 HZ3 LYS 22 15.132 7.799 4.628 142 H LYS 23 HN LYS 23 8.442 3.290 7.140 143 HA LYS 23 HA LYS 23 8.133 4.887 9.586 144 HB2 LYS 23 HB2 LYS 23 6.529 5.408 7.763 145 HB3 LYS 23 HB1 LYS 23 5.991 3.734 7.786 146 HG2 LYS 23 HG2 LYS 23 5.172 4.004 10.058 147 HG3 LYS 23 HG1 LYS 23 5.750 5.670 10.080 148 HD2 LYS 23 HD2 LYS 23 4.237 6.161 8.169 149 HD3 LYS 23 HD1 LYS 23 3.595 4.520 8.308 150 HE2 LYS 23 HE2 LYS 23 2.123 6.051 9.461 151 HE3 LYS 23 HE1 LYS 23 2.935 5.018 10.638 152 HZ1 LYS 23 HZ1 LYS 23 2.878 7.336 11.336 153 HZ2 LYS 23 HZ2 LYS 23 3.741 7.792 9.957 154 HZ3 LYS 23 HZ3 LYS 23 4.467 6.805 11.119 155 HA PRO 24 HA PRO 24 8.375 0.866 11.588 156 HB2 PRO 24 HB2 PRO 24 7.733 1.788 14.095 157 HB3 PRO 24 HB1 PRO 24 9.360 1.831 13.408 158 HG2 PRO 24 HG2 PRO 24 7.318 3.999 13.595 159 HG3 PRO 24 HG1 PRO 24 9.074 4.084 13.830 160 HD2 PRO 24 HD2 PRO 24 7.886 4.919 11.554 161 HD3 PRO 24 HD1 PRO 24 9.500 4.179 11.555 162 H GLY 25 HN GLY 25 6.844 -0.661 11.871 163 HA2 GLY 25 HA2 GLY 25 4.727 -1.435 12.673 164 HA3 GLY 25 HA1 GLY 25 4.101 0.205 12.501 165 H CYS 26 HN CYS 26 5.629 0.224 9.834 166 HA CYS 26 HA CYS 26 3.493 -0.974 8.248 167 HB2 CYS 26 HB2 CYS 26 4.358 1.398 7.887 168 HB3 CYS 26 HB1 CYS 26 5.840 0.665 7.278 169 HA PRO 27 HA PRO 27 6.509 -4.268 7.656 170 HB2 PRO 27 HB2 PRO 27 4.776 -6.270 7.335 171 HB3 PRO 27 HB1 PRO 27 4.984 -5.511 8.920 172 HG2 PRO 27 HG2 PRO 27 2.800 -5.158 6.911 173 HG3 PRO 27 HG1 PRO 27 2.701 -5.208 8.686 174 HD2 PRO 27 HD2 PRO 27 2.756 -2.886 7.102 175 HD3 PRO 27 HD1 PRO 27 3.045 -2.966 8.854 176 H LYS 28 HN LYS 28 5.242 -2.470 5.468 177 HA LYS 28 HA LYS 28 5.089 -4.458 3.314 178 HB2 LYS 28 HB2 LYS 28 3.694 -1.923 3.845 179 HB3 LYS 28 HB1 LYS 28 4.232 -2.112 2.172 180 HG2 LYS 28 HG2 LYS 28 1.941 -2.913 2.474 181 HG3 LYS 28 HG1 LYS 28 3.023 -4.223 2.002 182 HD2 LYS 28 HD2 LYS 28 3.147 -4.959 4.342 183 HD3 LYS 28 HD1 LYS 28 2.068 -3.640 4.809 184 HE2 LYS 28 HE2 LYS 28 0.303 -4.576 3.432 185 HE3 LYS 28 HE1 LYS 28 1.384 -5.856 2.883 186 HZ1 LYS 28 HZ1 LYS 28 0.527 -5.431 5.696 187 HZ2 LYS 28 HZ2 LYS 28 1.528 -6.683 5.132 188 HZ3 LYS 28 HZ3 LYS 28 -0.094 -6.605 4.647 189 H VAL 29 HN VAL 29 6.350 -4.399 1.574 190 HA VAL 29 HA VAL 29 8.307 -2.242 1.265 191 HB VAL 29 HB VAL 29 9.258 -4.238 2.552 192 HG11 VAL 29 HG11 VAL 29 8.232 -6.031 1.327 193 HG12 VAL 29 HG12 VAL 29 9.988 -6.146 1.209 194 HG13 VAL 29 HG13 VAL 29 9.050 -5.527 -0.151 195 HG21 VAL 29 HG21 VAL 29 10.466 -3.113 0.076 196 HG22 VAL 29 HG22 VAL 29 11.329 -4.320 1.029 197 HG23 VAL 29 HG23 VAL 29 10.855 -2.792 1.765 198 H TYR 30 HN TYR 30 9.107 -2.100 -0.952 199 HA TYR 30 HA TYR 30 7.551 -3.596 -2.940 200 HB2 TYR 30 HB2 TYR 30 7.605 -0.570 -2.873 201 HB3 TYR 30 HB1 TYR 30 6.763 -1.577 -4.044 202 HD1 TYR 30 HD1 TYR 30 4.849 -3.044 -3.172 203 HD2 TYR 30 HD2 TYR 30 6.516 0.171 -0.940 204 HE1 TYR 30 HE1 TYR 30 2.812 -2.939 -1.804 205 HE2 TYR 30 HE2 TYR 30 4.484 0.275 0.437 206 HH TYR 30 HH TYR 30 2.097 -0.367 0.259 207 H HIS 31 HN HIS 31 8.299 -3.044 -5.184 208 HA HIS 31 HA HIS 31 11.177 -2.649 -5.263 209 HB2 HIS 31 HB2 HIS 31 9.243 -3.016 -7.570 210 HB3 HIS 31 HB1 HIS 31 11.000 -3.093 -7.662 211 HD2 HIS 31 HD2 HIS 31 11.920 -5.301 -5.795 212 HE1 HIS 31 HE1 HIS 31 8.601 -7.590 -7.079 213 HE2 HIS 31 HE2 HIS 31 10.989 -7.690 -6.215 214 H ALA 32 HN ALA 32 12.174 -0.862 -6.128 215 HA ALA 32 HA ALA 32 10.780 1.592 -6.088 216 HB1 ALA 32 HB1 ALA 32 13.168 1.420 -5.589 217 HB2 ALA 32 HB2 ALA 32 12.862 2.576 -6.885 218 HB3 ALA 32 HB3 ALA 32 13.485 0.971 -7.265 219 H ASP 33 HN ASP 33 11.593 -0.687 -8.593 220 HA ASP 33 HA ASP 33 11.089 0.995 -10.806 221 HB2 ASP 33 HB2 ASP 33 10.939 -1.142 -12.103 222 HB3 ASP 33 HB1 ASP 33 12.411 -0.964 -11.159 223 H CYS 34 HN CYS 34 8.981 -1.333 -9.094 224 HA CYS 34 HA CYS 34 6.801 -0.844 -10.885 225 HB2 CYS 34 HB2 CYS 34 5.446 -2.091 -9.123 226 HB3 CYS 34 HB1 CYS 34 6.781 -2.982 -9.839 227 H LEU 35 HN LEU 35 7.994 0.676 -8.041 228 HA LEU 35 HA LEU 35 5.585 2.184 -7.539 229 HB2 LEU 35 HB2 LEU 35 8.411 2.464 -6.535 230 HB3 LEU 35 HB1 LEU 35 7.113 3.538 -6.059 231 HG LEU 35 HG LEU 35 7.111 0.565 -5.563 232 HD11 LEU 35 HD11 LEU 35 8.891 1.492 -4.299 233 HD12 LEU 35 HD12 LEU 35 7.528 1.290 -3.197 234 HD13 LEU 35 HD13 LEU 35 7.917 2.885 -3.834 235 HD21 LEU 35 HD21 LEU 35 5.362 2.804 -4.543 236 HD22 LEU 35 HD22 LEU 35 5.308 1.134 -3.979 237 HD23 LEU 35 HD23 LEU 35 4.878 1.515 -5.645 238 H ASN 36 HN ASN 36 7.879 2.256 -9.899 239 HA ASN 36 HA ASN 36 8.382 3.680 -11.581 240 HB2 ASN 36 HB2 ASN 36 5.977 5.108 -10.466 241 HB3 ASN 36 HB1 ASN 36 6.881 5.750 -11.829 242 HD21 ASN 36 HD21 ASN 36 6.523 2.317 -11.393 243 HD22 ASN 36 HD22 ASN 36 5.421 2.065 -12.696 244 H LEU 37 HN LEU 37 9.663 3.868 -9.003 245 HA LEU 37 HA LEU 37 10.166 6.657 -8.513 246 HB2 LEU 37 HB2 LEU 37 11.430 4.143 -7.441 247 HB3 LEU 37 HB1 LEU 37 11.953 5.749 -6.974 248 HG LEU 37 HG LEU 37 9.208 4.581 -6.488 249 HD11 LEU 37 HD11 LEU 37 10.995 3.601 -5.099 250 HD12 LEU 37 HD12 LEU 37 9.844 4.548 -4.158 251 HD13 LEU 37 HD13 LEU 37 11.426 5.220 -4.551 252 HD21 LEU 37 HD21 LEU 37 8.829 6.588 -5.142 253 HD22 LEU 37 HD22 LEU 37 9.103 6.988 -6.837 254 HD23 LEU 37 HD23 LEU 37 10.391 7.226 -5.654 255 H THR 38 HN THR 38 10.967 7.445 -10.475 256 HA THR 38 HA THR 38 13.331 6.306 -11.645 257 HB THR 38 HB THR 38 13.274 8.612 -12.893 258 HG1 THR 38 HG1 THR 38 10.644 8.843 -12.749 259 HG21 THR 38 HG21 THR 38 11.629 7.714 -14.472 260 HG22 THR 38 HG22 THR 38 11.111 6.537 -13.267 261 HG23 THR 38 HG23 THR 38 12.744 6.462 -13.927 262 H LYS 39 HN LYS 39 12.709 8.275 -9.001 263 HA LYS 39 HA LYS 39 15.560 8.987 -8.856 264 HB2 LYS 39 HB2 LYS 39 13.219 10.633 -7.869 265 HB3 LYS 39 HB1 LYS 39 14.906 10.993 -7.536 266 HG2 LYS 39 HG2 LYS 39 15.325 11.341 -9.906 267 HG3 LYS 39 HG1 LYS 39 13.656 10.907 -10.277 268 HD2 LYS 39 HD2 LYS 39 13.945 13.327 -10.273 269 HD3 LYS 39 HD1 LYS 39 12.864 12.820 -8.975 270 HE2 LYS 39 HE2 LYS 39 14.759 12.960 -7.395 271 HE3 LYS 39 HE1 LYS 39 15.779 13.553 -8.704 272 HZ1 LYS 39 HZ1 LYS 39 14.899 15.347 -7.335 273 HZ2 LYS 39 HZ2 LYS 39 13.320 14.883 -7.719 274 HZ3 LYS 39 HZ3 LYS 39 14.348 15.460 -8.930 275 H ARG 40 HN ARG 40 16.537 8.681 -6.863 276 HA ARG 40 HA ARG 40 15.138 6.840 -5.118 277 HB2 ARG 40 HB2 ARG 40 17.995 7.773 -5.279 278 HB3 ARG 40 HB1 ARG 40 17.413 6.766 -3.958 279 HG2 ARG 40 HG2 ARG 40 16.826 5.007 -5.484 280 HG3 ARG 40 HG1 ARG 40 17.219 6.027 -6.869 281 HD2 ARG 40 HD2 ARG 40 19.544 6.050 -6.253 282 HD3 ARG 40 HD1 ARG 40 19.198 5.193 -4.752 283 HE ARG 40 HE ARG 40 18.623 3.252 -6.091 284 HH11 ARG 40 HH11 ARG 40 20.342 5.815 -7.744 285 HH12 ARG 40 HH12 ARG 40 20.993 4.767 -8.959 286 HH21 ARG 40 HH21 ARG 40 19.477 1.870 -7.675 287 HH22 ARG 40 HH22 ARG 40 20.496 2.513 -8.924 288 HA PRO 41 HA PRO 41 13.838 10.166 -2.495 289 HB2 PRO 41 HB2 PRO 41 12.795 8.630 -0.504 290 HB3 PRO 41 HB1 PRO 41 11.972 8.920 -2.039 291 HG2 PRO 41 HG2 PRO 41 13.606 6.563 -1.177 292 HG3 PRO 41 HG1 PRO 41 12.055 6.594 -2.042 293 HD2 PRO 41 HD2 PRO 41 14.389 6.200 -3.333 294 HD3 PRO 41 HD1 PRO 41 13.055 7.107 -4.076 295 H ALA 42 HN ALA 42 14.518 11.230 -0.695 296 HA ALA 42 HA ALA 42 16.561 9.931 0.981 297 HB1 ALA 42 HB1 ALA 42 17.768 12.059 1.072 298 HB2 ALA 42 HB2 ALA 42 16.583 12.781 -0.015 299 HB3 ALA 42 HB3 ALA 42 17.627 11.482 -0.587 300 H GLY 43 HN GLY 43 16.536 10.529 3.191 301 HA2 GLY 43 HA2 GLY 43 15.691 11.580 5.107 302 HA3 GLY 43 HA1 GLY 43 14.523 12.424 4.098 303 H LYS 44 HN LYS 44 12.674 11.942 5.198 304 HA LYS 44 HA LYS 44 12.093 9.170 5.861 305 HB2 LYS 44 HB2 LYS 44 10.363 11.624 6.194 306 HB3 LYS 44 HB1 LYS 44 10.027 10.028 6.845 307 HG2 LYS 44 HG2 LYS 44 12.205 10.267 8.131 308 HG3 LYS 44 HG1 LYS 44 12.158 11.970 7.670 309 HD2 LYS 44 HD2 LYS 44 10.080 10.462 9.255 310 HD3 LYS 44 HD1 LYS 44 11.169 11.711 9.856 311 HE2 LYS 44 HE2 LYS 44 10.097 13.357 8.416 312 HE3 LYS 44 HE1 LYS 44 9.035 12.112 7.761 313 HZ1 LYS 44 HZ1 LYS 44 7.946 13.434 9.475 314 HZ2 LYS 44 HZ2 LYS 44 9.117 12.973 10.600 315 HZ3 LYS 44 HZ3 LYS 44 8.075 11.814 9.947 316 H TRP 45 HN TRP 45 11.253 7.872 4.379 317 HA TRP 45 HA TRP 45 9.481 9.051 2.367 318 HB2 TRP 45 HB2 TRP 45 11.486 8.039 1.384 319 HB3 TRP 45 HB1 TRP 45 11.121 6.518 2.193 320 HD1 TRP 45 HD1 TRP 45 9.611 8.829 -0.514 321 HE1 TRP 45 HE1 TRP 45 8.254 7.381 -2.144 322 HE3 TRP 45 HE3 TRP 45 10.070 4.326 1.854 323 HZ2 TRP 45 HZ2 TRP 45 7.479 4.674 -2.391 324 HZ3 TRP 45 HZ3 TRP 45 8.991 2.352 0.854 325 HH2 TRP 45 HH2 TRP 45 7.723 2.523 -1.221 326 H GLU 46 HN GLU 46 7.427 8.697 2.788 327 HA GLU 46 HA GLU 46 6.618 6.268 4.197 328 HB2 GLU 46 HB2 GLU 46 5.088 8.769 3.444 329 HB3 GLU 46 HB1 GLU 46 4.341 7.362 4.182 330 HG2 GLU 46 HG2 GLU 46 4.690 8.826 5.950 331 HG3 GLU 46 HG1 GLU 46 6.016 7.674 6.076 332 H CYS 47 HN CYS 47 5.617 4.615 3.165 333 HA CYS 47 HA CYS 47 5.618 4.458 0.361 334 HB2 CYS 47 HB2 CYS 47 4.546 2.327 0.600 335 HB3 CYS 47 HB1 CYS 47 5.655 2.491 1.954 336 HA PRO 48 HA PRO 48 1.953 6.595 -0.865 337 HB2 PRO 48 HB2 PRO 48 1.178 5.015 -2.986 338 HB3 PRO 48 HB1 PRO 48 2.457 6.234 -3.066 339 HG2 PRO 48 HG2 PRO 48 2.678 3.273 -2.687 340 HG3 PRO 48 HG1 PRO 48 3.663 4.349 -3.698 341 HD2 PRO 48 HD2 PRO 48 4.546 3.468 -1.328 342 HD3 PRO 48 HD1 PRO 48 4.902 5.118 -1.883 343 H TRP 49 HN TRP 49 1.939 3.502 0.388 344 HA TRP 49 HA TRP 49 -0.862 2.903 0.143 345 HB2 TRP 49 HB2 TRP 49 1.098 1.248 0.388 346 HB3 TRP 49 HB1 TRP 49 1.094 1.683 2.096 347 HD1 TRP 49 HD1 TRP 49 -1.874 0.769 -0.252 348 HE1 TRP 49 HE1 TRP 49 -3.166 -1.176 0.844 349 HE3 TRP 49 HE3 TRP 49 1.044 0.094 3.890 350 HZ2 TRP 49 HZ2 TRP 49 -2.980 -2.761 3.169 351 HZ3 TRP 49 HZ3 TRP 49 0.417 -1.649 5.503 352 HH2 TRP 49 HH2 TRP 49 -1.561 -3.050 5.149 353 H HIS 50 HN HIS 50 0.826 5.138 1.909 354 HA HIS 50 HA HIS 50 -1.176 5.151 4.066 355 HB2 HIS 50 HB2 HIS 50 1.366 6.784 3.847 356 HB3 HIS 50 HB1 HIS 50 0.261 6.750 5.221 357 HD1 HIS 50 HD1 HIS 50 0.062 3.486 5.139 358 HD2 HIS 50 HD2 HIS 50 3.464 5.864 5.323 359 HE1 HIS 50 HE1 HIS 50 1.885 2.056 6.171 360 H GLN 51 HN GLN 51 -0.829 6.323 1.055 361 HA GLN 51 HA GLN 51 -2.066 8.905 1.732 362 HB2 GLN 51 HB2 GLN 51 -0.228 8.303 -0.591 363 HB3 GLN 51 HB1 GLN 51 -1.070 9.825 -0.339 364 HG2 GLN 51 HG2 GLN 51 0.887 8.654 1.614 365 HG3 GLN 51 HG1 GLN 51 1.320 9.818 0.363 366 HE21 GLN 51 HE21 GLN 51 -0.362 9.344 3.397 367 HE22 GLN 51 HE22 GLN 51 -0.559 11.022 3.760 368 H CYS 52 HN CYS 52 -3.856 9.498 0.667 369 HA CYS 52 HA CYS 52 -5.426 7.475 -0.550 370 HB2 CYS 52 HB2 CYS 52 -6.407 9.329 0.718 371 HB3 CYS 52 HB1 CYS 52 -5.800 10.474 -0.468 372 H ASP 53 HN ASP 53 -5.242 6.754 -2.544 373 HA ASP 53 HA ASP 53 -3.512 7.846 -4.462 374 HB2 ASP 53 HB2 ASP 53 -4.242 5.462 -4.390 375 HB3 ASP 53 HB1 ASP 53 -5.830 5.960 -4.967 376 H VAL 54 HN VAL 54 -6.770 8.617 -3.692 377 HA VAL 54 HA VAL 54 -7.444 9.631 -6.297 378 HB VAL 54 HB VAL 54 -8.916 9.923 -3.674 379 HG11 VAL 54 HG11 VAL 54 -9.817 10.474 -6.494 380 HG12 VAL 54 HG12 VAL 54 -9.515 11.679 -5.241 381 HG13 VAL 54 HG13 VAL 54 -10.839 10.527 -5.057 382 HG21 VAL 54 HG21 VAL 54 -10.384 8.180 -4.558 383 HG22 VAL 54 HG22 VAL 54 -8.727 7.598 -4.394 384 HG23 VAL 54 HG23 VAL 54 -9.356 8.032 -5.982 385 H CYS 55 HN CYS 55 -6.749 11.118 -3.107 386 HA CYS 55 HA CYS 55 -6.652 13.681 -4.544 387 HB2 CYS 55 HB2 CYS 55 -7.386 14.792 -2.506 388 HB3 CYS 55 HB1 CYS 55 -8.532 13.567 -3.028 389 H GLY 56 HN GLY 56 -4.788 11.545 -2.605 390 HA2 GLY 56 HA2 GLY 56 -2.488 11.748 -2.248 391 HA3 GLY 56 HA1 GLY 56 -2.597 13.451 -2.672 392 H LYS 57 HN LYS 57 -5.011 12.845 -0.494 393 HA LYS 57 HA LYS 57 -3.523 14.048 1.668 394 HB2 LYS 57 HB2 LYS 57 -6.404 13.172 1.455 395 HB3 LYS 57 HB1 LYS 57 -5.717 13.941 2.877 396 HG2 LYS 57 HG2 LYS 57 -5.225 15.937 1.580 397 HG3 LYS 57 HG1 LYS 57 -5.867 15.164 0.129 398 HD2 LYS 57 HD2 LYS 57 -8.058 14.966 1.226 399 HD3 LYS 57 HD1 LYS 57 -7.407 15.777 2.649 400 HE2 LYS 57 HE2 LYS 57 -7.011 17.787 1.371 401 HE3 LYS 57 HE1 LYS 57 -7.519 16.981 -0.112 402 HZ1 LYS 57 HZ1 LYS 57 -9.299 18.333 0.734 403 HZ2 LYS 57 HZ2 LYS 57 -9.228 17.576 2.243 404 HZ3 LYS 57 HZ3 LYS 57 -9.733 16.704 0.883 405 H GLU 58 HN GLU 58 -3.977 13.123 3.933 406 HA GLU 58 HA GLU 58 -2.657 10.692 4.226 407 HB2 GLU 58 HB2 GLU 58 -2.910 12.493 5.955 408 HB3 GLU 58 HB1 GLU 58 -4.565 11.958 6.199 409 HG2 GLU 58 HG2 GLU 58 -3.241 11.018 7.925 410 HG3 GLU 58 HG1 GLU 58 -3.674 9.718 6.818 411 H ALA 59 HN ALA 59 -3.294 8.637 4.086 412 HA ALA 59 HA ALA 59 -6.063 8.073 3.452 413 HB1 ALA 59 HB1 ALA 59 -3.627 6.308 3.526 414 HB2 ALA 59 HB2 ALA 59 -4.402 7.002 2.099 415 HB3 ALA 59 HB3 ALA 59 -5.240 5.775 3.049 416 H ALA 60 HN ALA 60 -7.450 6.853 4.630 417 HA ALA 60 HA ALA 60 -6.677 6.371 7.421 418 HB1 ALA 60 HB1 ALA 60 -9.036 6.539 7.968 419 HB2 ALA 60 HB2 ALA 60 -9.442 6.713 6.260 420 HB3 ALA 60 HB3 ALA 60 -8.513 7.968 7.080 421 H SER 61 HN SER 61 -8.318 4.965 4.638 422 HA SER 61 HA SER 61 -8.105 2.342 5.946 423 HB2 SER 61 HB2 SER 61 -9.989 1.654 4.446 424 HB3 SER 61 HB1 SER 61 -10.430 2.910 5.598 425 HG SER 61 HG SER 61 -9.496 3.708 3.090 426 H PHE 62 HN PHE 62 -7.224 0.654 4.768 427 HA PHE 62 HA PHE 62 -5.742 1.514 2.365 428 HB2 PHE 62 HB2 PHE 62 -4.678 -0.506 4.332 429 HB3 PHE 62 HB1 PHE 62 -3.779 0.503 3.193 430 HD1 PHE 62 HD1 PHE 62 -4.763 0.073 6.549 431 HD2 PHE 62 HD2 PHE 62 -3.876 3.079 3.674 432 HE1 PHE 62 HE1 PHE 62 -4.369 1.687 8.362 433 HE2 PHE 62 HE2 PHE 62 -3.483 4.697 5.483 434 HZ PHE 62 HZ PHE 62 -3.723 4.002 7.829 435 H CYS 63 HN CYS 63 -5.991 0.198 0.603 436 HA CYS 63 HA CYS 63 -7.596 -2.141 0.716 437 HB2 CYS 63 HB2 CYS 63 -7.277 -0.764 -1.363 438 HB3 CYS 63 HB1 CYS 63 -5.640 -1.411 -1.478 439 H GLU 64 HN GLU 64 -7.069 -4.128 1.308 440 HA GLU 64 HA GLU 64 -4.310 -4.639 2.067 441 HB2 GLU 64 HB2 GLU 64 -6.787 -6.331 2.454 442 HB3 GLU 64 HB1 GLU 64 -5.208 -6.648 3.159 443 HG2 GLU 64 HG2 GLU 64 -5.359 -4.503 4.381 444 HG3 GLU 64 HG1 GLU 64 -6.980 -4.279 3.728 445 H MET 65 HN MET 65 -5.424 -4.645 -0.794 446 HA MET 65 HA MET 65 -4.150 -7.196 -1.529 447 HB2 MET 65 HB2 MET 65 -6.492 -5.868 -2.895 448 HB3 MET 65 HB1 MET 65 -5.609 -7.251 -3.539 449 HG2 MET 65 HG2 MET 65 -6.265 -8.576 -1.594 450 HG3 MET 65 HG1 MET 65 -7.154 -7.196 -0.951 451 HE1 MET 65 HE1 MET 65 -8.290 -9.409 -4.844 452 HE2 MET 65 HE2 MET 65 -6.921 -9.855 -3.827 453 HE3 MET 65 HE3 MET 65 -6.895 -8.338 -4.725 454 H CYS 66 HN CYS 66 -3.957 -3.844 -1.734 455 HA CYS 66 HA CYS 66 -1.814 -3.962 -3.606 456 HB2 CYS 66 HB2 CYS 66 -2.742 -2.744 -5.427 457 HB3 CYS 66 HB1 CYS 66 -3.911 -4.010 -5.070 458 HA PRO 67 HA PRO 67 -0.680 -0.281 -1.485 459 HB2 PRO 67 HB2 PRO 67 0.263 1.064 -3.918 460 HB3 PRO 67 HB1 PRO 67 1.195 0.434 -2.556 461 HG2 PRO 67 HG2 PRO 67 1.260 -0.729 -4.978 462 HG3 PRO 67 HG1 PRO 67 1.366 -1.669 -3.479 463 HD2 PRO 67 HD2 PRO 67 -1.020 -1.219 -5.258 464 HD3 PRO 67 HD1 PRO 67 -0.446 -2.731 -4.506 465 H SER 68 HN SER 68 -3.297 -0.155 -3.417 466 HA SER 68 HA SER 68 -3.578 2.721 -3.592 467 HB2 SER 68 HB2 SER 68 -5.627 0.563 -4.159 468 HB3 SER 68 HB1 SER 68 -5.736 2.262 -4.618 469 HG SER 68 HG SER 68 -3.412 1.149 -5.480 470 H SER 69 HN SER 69 -3.848 3.722 -1.713 471 HA SER 69 HA SER 69 -5.843 2.656 0.168 472 HB2 SER 69 HB2 SER 69 -4.596 4.234 1.794 473 HB3 SER 69 HB1 SER 69 -3.781 2.741 1.319 474 HG SER 69 HG SER 69 -3.385 5.270 0.071 475 H PHE 70 HN PHE 70 -7.101 4.366 1.357 476 HA PHE 70 HA PHE 70 -7.549 6.723 -0.339 477 HB2 PHE 70 HB2 PHE 70 -9.739 4.872 0.632 478 HB3 PHE 70 HB1 PHE 70 -9.967 6.356 -0.297 479 HD1 PHE 70 HD1 PHE 70 -8.911 6.454 -2.612 480 HD2 PHE 70 HD2 PHE 70 -9.468 2.838 -0.452 481 HE1 PHE 70 HE1 PHE 70 -8.744 5.183 -4.712 482 HE2 PHE 70 HE2 PHE 70 -9.306 1.554 -2.545 483 HZ PHE 70 HZ PHE 70 -8.924 2.705 -4.664 484 H CYS 71 HN CYS 71 -8.580 8.463 0.685 485 HA CYS 71 HA CYS 71 -8.071 8.647 3.518 486 HB2 CYS 71 HB2 CYS 71 -8.618 10.986 3.282 487 HB3 CYS 71 HB1 CYS 71 -7.620 10.519 1.911 488 H LYS 72 HN LYS 72 -9.973 10.053 4.681 489 HA LYS 72 HA LYS 72 -12.048 8.194 5.108 490 HB2 LYS 72 HB2 LYS 72 -11.885 11.106 5.884 491 HB3 LYS 72 HB1 LYS 72 -13.044 9.948 6.523 492 HG2 LYS 72 HG2 LYS 72 -11.325 8.692 7.583 493 HG3 LYS 72 HG1 LYS 72 -10.067 9.617 6.765 494 HD2 LYS 72 HD2 LYS 72 -10.780 11.629 7.975 495 HD3 LYS 72 HD1 LYS 72 -12.009 10.677 8.811 496 HE2 LYS 72 HE2 LYS 72 -10.343 9.341 9.878 497 HE3 LYS 72 HE1 LYS 72 -9.064 10.064 8.905 498 HZ1 LYS 72 HZ1 LYS 72 -9.421 12.156 9.996 499 HZ2 LYS 72 HZ2 LYS 72 -9.175 10.963 11.170 500 HZ3 LYS 72 HZ3 LYS 72 -10.733 11.537 10.866 501 H GLN 73 HN GLN 73 -11.750 11.008 3.089 502 HA GLN 73 HA GLN 73 -14.493 11.284 2.409 503 HB2 GLN 73 HB2 GLN 73 -11.998 12.170 0.961 504 HB3 GLN 73 HB1 GLN 73 -13.626 12.668 0.527 505 HG2 GLN 73 HG2 GLN 73 -13.874 13.809 2.643 506 HG3 GLN 73 HG1 GLN 73 -12.300 13.221 3.175 507 HE21 GLN 73 HE21 GLN 73 -13.972 15.408 1.041 508 HE22 GLN 73 HE22 GLN 73 -12.604 16.396 0.663 509 H HIS 74 HN HIS 74 -11.753 9.643 0.873 510 HA HIS 74 HA HIS 74 -13.512 8.920 -1.360 511 HB2 HIS 74 HB2 HIS 74 -10.493 8.995 -1.183 512 HB3 HIS 74 HB1 HIS 74 -11.402 8.478 -2.607 513 HD2 HIS 74 HD2 HIS 74 -13.594 10.832 -2.721 514 HE1 HIS 74 HE1 HIS 74 -10.263 13.423 -2.718 515 HE2 HIS 74 HE2 HIS 74 -12.684 13.159 -3.409 516 H ARG 75 HN ARG 75 -13.050 7.458 1.344 517 HA ARG 75 HA ARG 75 -12.145 4.887 0.376 518 HB2 ARG 75 HB2 ARG 75 -12.688 4.072 2.648 519 HB3 ARG 75 HB1 ARG 75 -11.591 5.445 2.654 520 HG2 ARG 75 HG2 ARG 75 -13.554 6.908 3.138 521 HG3 ARG 75 HG1 ARG 75 -14.525 5.444 3.309 522 HD2 ARG 75 HD2 ARG 75 -13.237 4.710 5.168 523 HD3 ARG 75 HD1 ARG 75 -12.021 5.957 4.910 524 HE ARG 75 HE ARG 75 -14.361 7.326 5.305 525 HH11 ARG 75 HH11 ARG 75 -12.604 4.916 7.145 526 HH12 ARG 75 HH12 ARG 75 -13.063 5.579 8.681 527 HH21 ARG 75 HH21 ARG 75 -14.961 8.198 7.330 528 HH22 ARG 75 HH22 ARG 75 -14.405 7.433 8.785 529 H GLU 76 HN GLU 76 -15.163 6.508 0.979 530 HA GLU 76 HA GLU 76 -16.805 4.202 0.847 531 HB2 GLU 76 HB2 GLU 76 -17.365 7.137 0.512 532 HB3 GLU 76 HB1 GLU 76 -18.624 5.918 0.354 533 HG2 GLU 76 HG2 GLU 76 -18.239 5.182 2.627 534 HG3 GLU 76 HG1 GLU 76 -16.911 6.328 2.796 535 H GLY 77 HN GLY 77 -17.560 3.110 -0.861 536 HA2 GLY 77 HA2 GLY 77 -18.233 2.698 -3.039 537 HA3 GLY 77 HA1 GLY 77 -17.793 4.348 -3.456 538 H MET 78 HN MET 78 -15.069 3.800 -2.208 539 HA MET 78 HA MET 78 -13.949 2.583 -4.632 540 HB2 MET 78 HB2 MET 78 -12.639 4.353 -2.546 541 HB3 MET 78 HB1 MET 78 -11.828 3.690 -3.959 542 HG2 MET 78 HG2 MET 78 -14.143 5.626 -3.990 543 HG3 MET 78 HG1 MET 78 -12.455 6.013 -4.321 544 HE1 MET 78 HE1 MET 78 -11.810 4.064 -7.658 545 HE2 MET 78 HE2 MET 78 -11.548 3.444 -6.030 546 HE3 MET 78 HE3 MET 78 -11.114 5.108 -6.419 547 H LEU 79 HN LEU 79 -13.987 2.287 -1.132 548 HA LEU 79 HA LEU 79 -12.490 -0.231 -1.418 549 HB2 LEU 79 HB2 LEU 79 -11.283 1.730 -0.287 550 HB3 LEU 79 HB1 LEU 79 -12.442 1.547 1.016 551 HG LEU 79 HG LEU 79 -11.616 -0.738 1.424 552 HD11 LEU 79 HD11 LEU 79 -10.849 -1.308 -0.805 553 HD12 LEU 79 HD12 LEU 79 -9.526 -1.459 0.348 554 HD13 LEU 79 HD13 LEU 79 -9.608 -0.061 -0.721 555 HD21 LEU 79 HD21 LEU 79 -9.556 1.460 1.409 556 HD22 LEU 79 HD22 LEU 79 -9.383 -0.060 2.283 557 HD23 LEU 79 HD23 LEU 79 -10.679 1.059 2.706 558 H PHE 80 HN PHE 80 -13.337 -1.986 -0.353 559 HA PHE 80 HA PHE 80 -15.534 -1.645 1.513 560 HB2 PHE 80 HB2 PHE 80 -17.017 -3.168 0.214 561 HB3 PHE 80 HB1 PHE 80 -16.717 -1.646 -0.609 562 HD1 PHE 80 HD1 PHE 80 -15.432 -1.573 -2.661 563 HD2 PHE 80 HD2 PHE 80 -16.120 -5.259 -0.639 564 HE1 PHE 80 HE1 PHE 80 -14.722 -2.804 -4.663 565 HE2 PHE 80 HE2 PHE 80 -15.411 -6.489 -2.644 566 HZ PHE 80 HZ PHE 80 -14.712 -5.262 -4.659 567 H ILE 81 HN ILE 81 -16.221 -3.811 2.403 568 HA ILE 81 HA ILE 81 -13.845 -5.409 2.894 569 HB ILE 81 HB ILE 81 -16.603 -5.482 4.113 570 HG12 ILE 81 HG12 ILE 81 -15.095 -3.607 4.763 571 HG13 ILE 81 HG11 ILE 81 -15.514 -4.661 6.108 572 HG21 ILE 81 HG21 ILE 81 -15.686 -7.128 5.706 573 HG22 ILE 81 HG22 ILE 81 -14.225 -7.224 4.721 574 HG23 ILE 81 HG23 ILE 81 -15.773 -7.745 4.055 575 HD11 ILE 81 HD11 ILE 81 -12.922 -4.642 4.585 576 HD12 ILE 81 HD12 ILE 81 -13.340 -5.784 5.862 577 HD13 ILE 81 HD13 ILE 81 -13.194 -4.065 6.228 578 H SER 82 HN SER 82 -13.409 -7.238 1.895 579 HA SER 82 HA SER 82 -15.377 -8.392 0.093 580 HB2 SER 82 HB2 SER 82 -13.051 -8.030 -0.675 581 HB3 SER 82 HB1 SER 82 -12.482 -9.140 0.572 582 HG SER 82 HG SER 82 -13.562 -9.665 -1.876 583 H LYS 83 HN LYS 83 -16.405 -10.279 0.432 584 HA LYS 83 HA LYS 83 -16.496 -11.278 3.106 585 HB2 LYS 83 HB2 LYS 83 -17.833 -12.247 0.581 586 HB3 LYS 83 HB1 LYS 83 -18.189 -12.842 2.196 587 HG2 LYS 83 HG2 LYS 83 -19.096 -10.768 2.867 588 HG3 LYS 83 HG1 LYS 83 -18.467 -9.947 1.441 589 HD2 LYS 83 HD2 LYS 83 -20.829 -10.302 1.156 590 HD3 LYS 83 HD1 LYS 83 -19.958 -11.346 0.036 591 HE2 LYS 83 HE2 LYS 83 -21.734 -12.619 0.988 592 HE3 LYS 83 HE1 LYS 83 -20.224 -13.203 1.680 593 HZ1 LYS 83 HZ1 LYS 83 -22.093 -11.310 2.997 594 HZ2 LYS 83 HZ2 LYS 83 -20.663 -11.917 3.668 595 HZ3 LYS 83 HZ3 LYS 83 -21.955 -12.958 3.352 596 H LEU 84 HN LEU 84 -14.376 -11.881 0.662 597 HA LEU 84 HA LEU 84 -14.124 -14.714 0.840 598 HB2 LEU 84 HB2 LEU 84 -12.165 -12.646 -0.148 599 HB3 LEU 84 HB1 LEU 84 -12.027 -14.375 -0.400 600 HG LEU 84 HG LEU 84 -14.230 -12.623 -1.499 601 HD11 LEU 84 HD11 LEU 84 -12.096 -12.161 -2.565 602 HD12 LEU 84 HD12 LEU 84 -13.168 -13.026 -3.666 603 HD13 LEU 84 HD13 LEU 84 -11.855 -13.883 -2.861 604 HD21 LEU 84 HD21 LEU 84 -14.796 -14.617 -2.837 605 HD22 LEU 84 HD22 LEU 84 -15.025 -14.873 -1.109 606 HD23 LEU 84 HD23 LEU 84 -13.610 -15.546 -1.920 607 H ASP 85 HN ASP 85 -12.106 -12.030 2.064 608 HA ASP 85 HA ASP 85 -11.121 -13.877 4.146 609 HB2 ASP 85 HB2 ASP 85 -9.532 -11.579 3.007 610 HB3 ASP 85 HB1 ASP 85 -8.961 -12.832 4.097 611 H GLY 86 HN GLY 86 -12.967 -11.193 3.634 612 HA2 GLY 86 HA2 GLY 86 -13.817 -9.625 5.099 613 HA3 GLY 86 HA1 GLY 86 -12.809 -10.317 6.363 614 H ARG 87 HN ARG 87 -11.341 -9.403 3.395 615 HA ARG 87 HA ARG 87 -9.794 -7.381 4.812 616 HB2 ARG 87 HB2 ARG 87 -9.421 -8.736 2.142 617 HB3 ARG 87 HB1 ARG 87 -8.370 -7.461 2.738 618 HG2 ARG 87 HG2 ARG 87 -7.729 -8.843 4.630 619 HG3 ARG 87 HG1 ARG 87 -8.817 -10.118 4.079 620 HD2 ARG 87 HD2 ARG 87 -7.537 -10.270 1.984 621 HD3 ARG 87 HD1 ARG 87 -6.431 -9.037 2.587 622 HE ARG 87 HE ARG 87 -6.415 -11.012 4.493 623 HH11 ARG 87 HH11 ARG 87 -5.756 -10.854 1.059 624 HH12 ARG 87 HH12 ARG 87 -4.554 -12.102 1.097 625 HH21 ARG 87 HH21 ARG 87 -4.833 -12.677 4.547 626 HH22 ARG 87 HH22 ARG 87 -4.035 -13.142 3.076 627 H LEU 88 HN LEU 88 -9.485 -5.300 4.034 628 HA LEU 88 HA LEU 88 -11.634 -4.114 2.566 629 HB2 LEU 88 HB2 LEU 88 -8.975 -3.084 3.540 630 HB3 LEU 88 HB1 LEU 88 -10.058 -2.101 2.584 631 HG LEU 88 HG LEU 88 -10.953 -3.344 5.164 632 HD11 LEU 88 HD11 LEU 88 -9.690 -0.629 4.788 633 HD12 LEU 88 HD12 LEU 88 -8.929 -2.002 5.587 634 HD13 LEU 88 HD13 LEU 88 -10.372 -1.268 6.284 635 HD21 LEU 88 HD21 LEU 88 -12.686 -2.492 3.668 636 HD22 LEU 88 HD22 LEU 88 -11.858 -0.936 3.587 637 HD23 LEU 88 HD23 LEU 88 -12.553 -1.486 5.111 638 H SER 89 HN SER 89 -11.856 -4.343 0.451 639 HA SER 89 HA SER 89 -9.421 -4.471 -1.199 640 HB2 SER 89 HB2 SER 89 -10.578 -6.671 -1.012 641 HB3 SER 89 HB1 SER 89 -12.025 -5.940 -1.708 642 HG SER 89 HG SER 89 -9.756 -6.830 -2.935 643 H CYS 90 HN CYS 90 -9.361 -3.178 -2.955 644 HA CYS 90 HA CYS 90 -11.353 -1.095 -3.080 645 HB2 CYS 90 HB2 CYS 90 -9.820 0.073 -4.520 646 HB3 CYS 90 HB1 CYS 90 -8.876 -0.652 -3.219 647 H THR 91 HN THR 91 -12.095 -0.308 -5.234 648 HA THR 91 HA THR 91 -13.477 -2.428 -6.571 649 HB THR 91 HB THR 91 -14.346 -0.473 -7.970 650 HG1 THR 91 HG1 THR 91 -13.358 1.370 -7.670 651 HG21 THR 91 HG21 THR 91 -15.790 0.318 -6.165 652 HG22 THR 91 HG22 THR 91 -14.687 -0.369 -4.972 653 HG23 THR 91 HG23 THR 91 -15.569 -1.429 -6.070 654 H GLU 92 HN GLU 92 -10.418 -1.259 -6.966 655 HA GLU 92 HA GLU 92 -10.340 -1.263 -9.853 656 HB2 GLU 92 HB2 GLU 92 -8.144 -1.057 -7.786 657 HB3 GLU 92 HB1 GLU 92 -7.891 -0.941 -9.520 658 HG2 GLU 92 HG2 GLU 92 -9.591 0.926 -7.879 659 HG3 GLU 92 HG1 GLU 92 -7.950 1.254 -8.431 660 H HIS 93 HN HIS 93 -10.712 -3.678 -7.769 661 HA HIS 93 HA HIS 93 -8.900 -5.506 -9.198 662 HB2 HIS 93 HB2 HIS 93 -10.294 -5.901 -6.542 663 HB3 HIS 93 HB1 HIS 93 -9.257 -7.084 -7.328 664 HD1 HIS 93 HD1 HIS 93 -7.110 -4.716 -8.132 665 HD2 HIS 93 HD2 HIS 93 -8.580 -5.757 -4.389 666 HE1 HIS 93 HE1 HIS 93 -5.414 -3.896 -6.443 667 H ASP 94 HN ASP 94 -10.973 -4.772 -10.646 668 HA ASP 94 HA ASP 94 -13.158 -6.648 -10.318 669 HB2 ASP 94 HB2 ASP 94 -13.704 -4.412 -11.070 670 HB3 ASP 94 HB1 ASP 94 -12.585 -4.556 -12.418 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 11.671 -11.445 6.120 2 H2 GLY 1 HT2 GLY 1 11.797 -13.104 6.445 3 H3 GLY 1 HT3 GLY 1 11.689 -11.999 7.722 4 HA2 GLY 1 HA1 GLY 1 9.565 -12.550 5.732 5 HA3 GLY 1 HA2 GLY 1 9.587 -13.133 7.391 6 H ALA 2 HN ALA 2 7.413 -11.854 6.941 7 HA ALA 2 HA ALA 2 7.665 -8.991 7.151 8 HB1 ALA 2 HB1 ALA 2 5.194 -10.706 7.320 9 HB2 ALA 2 HB2 ALA 2 5.872 -10.038 5.836 10 HB3 ALA 2 HB3 ALA 2 5.249 -8.959 7.083 11 H MET 3 HN MET 3 9.006 -9.690 9.267 12 HA MET 3 HA MET 3 7.319 -9.830 11.616 13 HB2 MET 3 HB2 MET 3 9.528 -10.872 11.682 14 HB3 MET 3 HB1 MET 3 10.293 -9.335 11.316 15 HG2 MET 3 HG2 MET 3 9.434 -8.442 13.459 16 HG3 MET 3 HG1 MET 3 8.792 -10.041 13.829 17 HE1 MET 3 HE1 MET 3 10.283 -12.180 14.229 18 HE2 MET 3 HE2 MET 3 12.044 -12.190 14.139 19 HE3 MET 3 HE3 MET 3 11.088 -11.958 12.675 20 H GLU 4 HN GLU 4 9.720 -7.472 10.488 21 HA GLU 4 HA GLU 4 7.939 -5.323 11.420 22 HB2 GLU 4 HB2 GLU 4 10.920 -5.571 11.506 23 HB3 GLU 4 HB1 GLU 4 10.182 -3.979 11.403 24 HG2 GLU 4 HG2 GLU 4 9.662 -6.021 13.546 25 HG3 GLU 4 HG1 GLU 4 10.688 -4.596 13.699 26 H ARG 5 HN ARG 5 10.286 -6.319 8.985 27 HA ARG 5 HA ARG 5 8.928 -4.556 7.078 28 HB2 ARG 5 HB2 ARG 5 11.886 -5.163 7.199 29 HB3 ARG 5 HB1 ARG 5 11.097 -4.248 5.921 30 HG2 ARG 5 HG2 ARG 5 10.352 -2.626 7.698 31 HG3 ARG 5 HG1 ARG 5 11.422 -3.480 8.810 32 HD2 ARG 5 HD2 ARG 5 12.226 -2.098 6.257 33 HD3 ARG 5 HD1 ARG 5 12.515 -1.516 7.893 34 HE ARG 5 HE ARG 5 13.632 -4.114 7.409 35 HH11 ARG 5 HH11 ARG 5 14.145 -0.677 7.007 36 HH12 ARG 5 HH12 ARG 5 15.876 -0.802 7.020 37 HH21 ARG 5 HH21 ARG 5 15.908 -4.291 7.419 38 HH22 ARG 5 HH22 ARG 5 16.880 -2.864 7.254 39 H GLU 6 HN GLU 6 8.259 -5.514 5.272 40 HA GLU 6 HA GLU 6 8.177 -8.356 5.228 41 HB2 GLU 6 HB2 GLU 6 6.360 -6.735 4.550 42 HB3 GLU 6 HB1 GLU 6 7.277 -6.435 3.084 43 HG2 GLU 6 HG2 GLU 6 6.900 -8.595 2.275 44 HG3 GLU 6 HG1 GLU 6 6.387 -9.189 3.856 45 H ASP 7 HN ASP 7 8.818 -9.720 3.426 46 HA ASP 7 HA ASP 7 11.247 -8.721 2.083 47 HB2 ASP 7 HB2 ASP 7 10.612 -11.415 3.246 48 HB3 ASP 7 HB1 ASP 7 11.812 -11.248 1.973 49 H GLU 8 HN GLU 8 8.437 -8.683 1.168 50 HA GLU 8 HA GLU 8 8.931 -9.766 -1.472 51 HB2 GLU 8 HB2 GLU 8 7.817 -11.604 -0.236 52 HB3 GLU 8 HB1 GLU 8 6.483 -10.525 0.137 53 HG2 GLU 8 HG2 GLU 8 5.863 -10.385 -2.163 54 HG3 GLU 8 HG1 GLU 8 7.306 -11.272 -2.655 55 H CYS 9 HN CYS 9 7.719 -8.659 -3.083 56 HA CYS 9 HA CYS 9 6.930 -6.031 -2.183 57 HB2 CYS 9 HB2 CYS 9 8.242 -6.219 -4.229 58 HB3 CYS 9 HB1 CYS 9 7.008 -7.258 -4.942 59 H PHE 10 HN PHE 10 4.952 -5.619 -1.538 60 HA PHE 10 HA PHE 10 2.784 -7.399 -1.882 61 HB2 PHE 10 HB2 PHE 10 2.960 -5.915 0.046 62 HB3 PHE 10 HB1 PHE 10 2.852 -4.501 -0.995 63 HD1 PHE 10 HD1 PHE 10 0.835 -3.443 -1.137 64 HD2 PHE 10 HD2 PHE 10 0.913 -7.599 -0.217 65 HE1 PHE 10 HE1 PHE 10 -1.603 -3.424 -0.855 66 HE2 PHE 10 HE2 PHE 10 -1.529 -7.584 0.064 67 HZ PHE 10 HZ PHE 10 -2.785 -5.494 -0.253 68 H SER 11 HN SER 11 4.021 -4.854 -3.820 69 HA SER 11 HA SER 11 1.594 -4.296 -5.244 70 HB2 SER 11 HB2 SER 11 3.354 -2.592 -4.956 71 HB3 SER 11 HB1 SER 11 4.454 -3.582 -5.910 72 HG SER 11 HG SER 11 2.096 -3.129 -7.201 73 H CYS 12 HN CYS 12 4.332 -6.457 -5.683 74 HA CYS 12 HA CYS 12 3.267 -7.173 -8.339 75 HB2 CYS 12 HB2 CYS 12 6.109 -7.491 -7.358 76 HB3 CYS 12 HB1 CYS 12 5.518 -7.833 -8.983 77 H GLY 13 HN GLY 13 4.227 -8.388 -5.223 78 HA2 GLY 13 HA2 GLY 13 3.650 -10.469 -4.317 79 HA3 GLY 13 HA1 GLY 13 3.247 -11.039 -5.933 80 H ASP 14 HN ASP 14 6.134 -9.509 -6.171 81 HA ASP 14 HA ASP 14 7.608 -12.037 -5.897 82 HB2 ASP 14 HB2 ASP 14 7.913 -9.798 -7.899 83 HB3 ASP 14 HB1 ASP 14 9.123 -11.057 -7.682 84 H ALA 15 HN ALA 15 9.781 -11.938 -5.219 85 HA ALA 15 HA ALA 15 10.488 -9.505 -3.729 86 HB1 ALA 15 HB1 ALA 15 11.524 -12.306 -3.329 87 HB2 ALA 15 HB2 ALA 15 10.241 -11.551 -2.383 88 HB3 ALA 15 HB3 ALA 15 11.876 -10.894 -2.331 89 H GLY 16 HN GLY 16 12.802 -8.936 -3.702 90 HA2 GLY 16 HA2 GLY 16 14.953 -9.572 -4.949 91 HA3 GLY 16 HA1 GLY 16 13.937 -9.405 -6.374 92 H GLN 17 HN GLN 17 15.617 -7.735 -3.838 93 HA GLN 17 HA GLN 17 16.344 -5.606 -3.604 94 HB2 GLN 17 HB2 GLN 17 16.991 -5.823 -5.980 95 HB3 GLN 17 HB1 GLN 17 15.410 -5.218 -6.449 96 HG2 GLN 17 HG2 GLN 17 15.893 -3.105 -5.312 97 HG3 GLN 17 HG1 GLN 17 17.491 -3.714 -4.883 98 HE21 GLN 17 HE21 GLN 17 15.445 -2.582 -7.443 99 HE22 GLN 17 HE22 GLN 17 16.697 -2.343 -8.613 100 H LEU 18 HN LEU 18 14.780 -5.240 -2.039 101 HA LEU 18 HA LEU 18 12.363 -3.839 -2.949 102 HB2 LEU 18 HB2 LEU 18 12.799 -5.474 -0.451 103 HB3 LEU 18 HB1 LEU 18 11.317 -4.625 -0.859 104 HG LEU 18 HG LEU 18 12.443 -6.723 -2.681 105 HD11 LEU 18 HD11 LEU 18 10.592 -7.147 -0.352 106 HD12 LEU 18 HD12 LEU 18 12.223 -7.795 -0.530 107 HD13 LEU 18 HD13 LEU 18 10.936 -8.330 -1.609 108 HD21 LEU 18 HD21 LEU 18 10.721 -5.212 -3.536 109 HD22 LEU 18 HD22 LEU 18 9.659 -5.689 -2.215 110 HD23 LEU 18 HD23 LEU 18 10.146 -6.873 -3.425 111 H VAL 19 HN VAL 19 11.744 -1.983 -1.956 112 HA VAL 19 HA VAL 19 13.594 -0.813 0.011 113 HB VAL 19 HB VAL 19 13.602 0.543 -1.978 114 HG11 VAL 19 HG11 VAL 19 10.595 0.572 -1.784 115 HG12 VAL 19 HG12 VAL 19 11.570 -0.178 -3.049 116 HG13 VAL 19 HG13 VAL 19 11.548 1.576 -2.879 117 HG21 VAL 19 HG21 VAL 19 11.875 1.814 0.139 118 HG22 VAL 19 HG22 VAL 19 12.750 2.684 -1.121 119 HG23 VAL 19 HG23 VAL 19 13.637 1.776 0.102 120 H SER 20 HN SER 20 12.783 -0.358 1.978 121 HA SER 20 HA SER 20 9.946 -0.987 2.359 122 HB2 SER 20 HB2 SER 20 11.713 -2.387 3.504 123 HB3 SER 20 HB1 SER 20 12.100 -0.966 4.473 124 HG SER 20 HG SER 20 9.585 -2.288 4.339 125 H CYS 21 HN CYS 21 8.872 0.087 4.145 126 HA CYS 21 HA CYS 21 8.958 2.924 3.834 127 HB2 CYS 21 HB2 CYS 21 6.989 1.225 4.343 128 HB3 CYS 21 HB1 CYS 21 7.438 1.544 6.018 129 H LYS 22 HN LYS 22 9.718 4.471 5.313 130 HA LYS 22 HA LYS 22 11.548 3.388 7.315 131 HB2 LYS 22 HB2 LYS 22 11.298 6.107 6.046 132 HB3 LYS 22 HB1 LYS 22 12.350 5.804 7.422 133 HG2 LYS 22 HG2 LYS 22 13.492 4.047 6.074 134 HG3 LYS 22 HG1 LYS 22 12.520 4.553 4.691 135 HD2 LYS 22 HD2 LYS 22 13.494 6.731 4.711 136 HD3 LYS 22 HD1 LYS 22 14.297 6.418 6.248 137 HE2 LYS 22 HE2 LYS 22 15.914 6.253 4.475 138 HE3 LYS 22 HE1 LYS 22 15.633 4.649 5.144 139 HZ1 LYS 22 HZ1 LYS 22 14.473 5.718 2.630 140 HZ2 LYS 22 HZ2 LYS 22 14.148 4.193 3.279 141 HZ3 LYS 22 HZ3 LYS 22 15.707 4.569 2.750 142 H LYS 23 HN LYS 23 8.557 3.647 7.644 143 HA LYS 23 HA LYS 23 8.682 5.129 10.181 144 HB2 LYS 23 HB2 LYS 23 6.269 4.657 8.420 145 HB3 LYS 23 HB1 LYS 23 6.211 5.386 10.020 146 HG2 LYS 23 HG2 LYS 23 7.858 7.111 9.080 147 HG3 LYS 23 HG1 LYS 23 7.395 6.487 7.496 148 HD2 LYS 23 HD2 LYS 23 5.549 7.675 9.571 149 HD3 LYS 23 HD1 LYS 23 6.062 8.437 8.067 150 HE2 LYS 23 HE2 LYS 23 4.953 6.646 6.800 151 HE3 LYS 23 HE1 LYS 23 4.407 5.924 8.315 152 HZ1 LYS 23 HZ1 LYS 23 3.704 8.646 7.351 153 HZ2 LYS 23 HZ2 LYS 23 3.153 7.925 8.782 154 HZ3 LYS 23 HZ3 LYS 23 2.690 7.290 7.285 155 HA PRO 24 HA PRO 24 8.460 0.985 11.936 156 HB2 PRO 24 HB2 PRO 24 7.755 2.674 14.291 157 HB3 PRO 24 HB1 PRO 24 8.914 1.346 14.168 158 HG2 PRO 24 HG2 PRO 24 9.755 3.864 14.233 159 HG3 PRO 24 HG1 PRO 24 10.533 2.674 13.173 160 HD2 PRO 24 HD2 PRO 24 8.636 4.875 12.482 161 HD3 PRO 24 HD1 PRO 24 10.006 4.231 11.554 162 H GLY 25 HN GLY 25 6.761 -0.356 12.078 163 HA2 GLY 25 HA2 GLY 25 4.530 -0.825 12.953 164 HA3 GLY 25 HA1 GLY 25 4.095 0.832 12.536 165 H CYS 26 HN CYS 26 5.662 0.554 9.992 166 HA CYS 26 HA CYS 26 3.522 -0.674 8.429 167 HB2 CYS 26 HB2 CYS 26 4.495 1.659 8.001 168 HB3 CYS 26 HB1 CYS 26 5.931 0.831 7.402 169 HA PRO 27 HA PRO 27 6.495 -4.060 7.997 170 HB2 PRO 27 HB2 PRO 27 4.751 -6.063 8.091 171 HB3 PRO 27 HB1 PRO 27 5.051 -5.086 9.537 172 HG2 PRO 27 HG2 PRO 27 2.738 -5.033 7.652 173 HG3 PRO 27 HG1 PRO 27 2.761 -4.788 9.414 174 HD2 PRO 27 HD2 PRO 27 2.746 -2.770 7.417 175 HD3 PRO 27 HD1 PRO 27 3.030 -2.547 9.159 176 H LYS 28 HN LYS 28 5.223 -2.510 5.705 177 HA LYS 28 HA LYS 28 4.950 -4.710 3.770 178 HB2 LYS 28 HB2 LYS 28 3.402 -2.360 4.200 179 HB3 LYS 28 HB1 LYS 28 4.197 -2.187 2.631 180 HG2 LYS 28 HG2 LYS 28 1.971 -3.212 2.439 181 HG3 LYS 28 HG1 LYS 28 3.253 -4.290 1.882 182 HD2 LYS 28 HD2 LYS 28 3.155 -5.546 3.946 183 HD3 LYS 28 HD1 LYS 28 1.993 -4.405 4.625 184 HE2 LYS 28 HE2 LYS 28 0.331 -5.057 3.030 185 HE3 LYS 28 HE1 LYS 28 1.494 -6.048 2.150 186 HZ1 LYS 28 HZ1 LYS 28 0.057 -7.399 3.544 187 HZ2 LYS 28 HZ2 LYS 28 0.543 -6.546 4.919 188 HZ3 LYS 28 HZ3 LYS 28 1.659 -7.495 4.079 189 H VAL 29 HN VAL 29 6.000 -4.529 1.714 190 HA VAL 29 HA VAL 29 8.082 -2.490 1.479 191 HB VAL 29 HB VAL 29 8.931 -4.651 2.630 192 HG11 VAL 29 HG11 VAL 29 7.887 -6.199 1.034 193 HG12 VAL 29 HG12 VAL 29 9.628 -6.428 1.186 194 HG13 VAL 29 HG13 VAL 29 8.967 -5.593 -0.218 195 HG21 VAL 29 HG21 VAL 29 10.295 -3.416 0.266 196 HG22 VAL 29 HG22 VAL 29 11.088 -4.502 1.407 197 HG23 VAL 29 HG23 VAL 29 10.440 -2.958 1.961 198 H TYR 30 HN TYR 30 8.996 -2.394 -0.713 199 HA TYR 30 HA TYR 30 7.442 -3.691 -2.823 200 HB2 TYR 30 HB2 TYR 30 7.602 -0.677 -2.587 201 HB3 TYR 30 HB1 TYR 30 6.832 -1.574 -3.888 202 HD1 TYR 30 HD1 TYR 30 4.749 -2.912 -3.359 203 HD2 TYR 30 HD2 TYR 30 6.424 -0.108 -0.635 204 HE1 TYR 30 HE1 TYR 30 2.604 -2.791 -2.169 205 HE2 TYR 30 HE2 TYR 30 4.285 0.014 0.567 206 HH TYR 30 HH TYR 30 1.778 -2.203 0.088 207 H HIS 31 HN HIS 31 8.338 -3.074 -5.001 208 HA HIS 31 HA HIS 31 11.223 -2.735 -4.939 209 HB2 HIS 31 HB2 HIS 31 9.396 -2.886 -7.357 210 HB3 HIS 31 HB1 HIS 31 11.151 -3.040 -7.358 211 HD2 HIS 31 HD2 HIS 31 11.911 -5.393 -5.649 212 HE1 HIS 31 HE1 HIS 31 8.518 -7.456 -7.129 213 HE2 HIS 31 HE2 HIS 31 10.868 -7.712 -6.186 214 H ALA 32 HN ALA 32 12.296 -0.943 -5.750 215 HA ALA 32 HA ALA 32 10.984 1.556 -5.596 216 HB1 ALA 32 HB1 ALA 32 13.356 1.300 -5.101 217 HB2 ALA 32 HB2 ALA 32 13.106 2.493 -6.375 218 HB3 ALA 32 HB3 ALA 32 13.670 0.873 -6.783 219 H ASP 33 HN ASP 33 11.677 -0.664 -8.155 220 HA ASP 33 HA ASP 33 11.358 1.064 -10.361 221 HB2 ASP 33 HB2 ASP 33 12.475 -1.123 -10.517 222 HB3 ASP 33 HB1 ASP 33 10.942 -1.928 -10.210 223 H CYS 34 HN CYS 34 9.041 -1.082 -8.707 224 HA CYS 34 HA CYS 34 6.934 -0.440 -10.551 225 HB2 CYS 34 HB2 CYS 34 5.519 -1.695 -8.791 226 HB3 CYS 34 HB1 CYS 34 6.774 -2.612 -9.622 227 H LEU 35 HN LEU 35 8.143 0.899 -7.622 228 HA LEU 35 HA LEU 35 5.776 2.458 -7.062 229 HB2 LEU 35 HB2 LEU 35 8.585 2.589 -5.982 230 HB3 LEU 35 HB1 LEU 35 7.271 3.601 -5.420 231 HG LEU 35 HG LEU 35 7.304 0.592 -5.221 232 HD11 LEU 35 HD11 LEU 35 9.004 1.342 -3.796 233 HD12 LEU 35 HD12 LEU 35 7.587 1.178 -2.756 234 HD13 LEU 35 HD13 LEU 35 8.088 2.768 -3.321 235 HD21 LEU 35 HD21 LEU 35 5.478 2.689 -4.050 236 HD22 LEU 35 HD22 LEU 35 5.445 0.974 -3.643 237 HD23 LEU 35 HD23 LEU 35 5.052 1.498 -5.279 238 H ASN 36 HN ASN 36 8.013 2.597 -9.420 239 HA ASN 36 HA ASN 36 8.674 4.128 -10.940 240 HB2 ASN 36 HB2 ASN 36 6.444 5.709 -9.672 241 HB3 ASN 36 HB1 ASN 36 7.365 6.297 -11.048 242 HD21 ASN 36 HD21 ASN 36 4.980 4.055 -9.939 243 HD22 ASN 36 HD22 ASN 36 4.486 3.492 -11.495 244 H LEU 37 HN LEU 37 9.986 3.955 -8.383 245 HA LEU 37 HA LEU 37 10.718 6.672 -7.695 246 HB2 LEU 37 HB2 LEU 37 11.634 4.017 -6.611 247 HB3 LEU 37 HB1 LEU 37 12.204 5.565 -6.021 248 HG LEU 37 HG LEU 37 9.384 4.501 -5.845 249 HD11 LEU 37 HD11 LEU 37 11.416 5.112 -3.706 250 HD12 LEU 37 HD12 LEU 37 10.973 3.500 -4.265 251 HD13 LEU 37 HD13 LEU 37 9.778 4.511 -3.450 252 HD21 LEU 37 HD21 LEU 37 8.913 6.531 -4.543 253 HD22 LEU 37 HD22 LEU 37 9.313 6.890 -6.220 254 HD23 LEU 37 HD23 LEU 37 10.512 7.150 -4.953 255 H THR 38 HN THR 38 11.511 6.920 -9.992 256 HA THR 38 HA THR 38 14.021 5.863 -10.750 257 HB THR 38 HB THR 38 13.055 8.628 -11.481 258 HG1 THR 38 HG1 THR 38 11.356 7.757 -12.381 259 HG21 THR 38 HG21 THR 38 15.248 7.956 -12.319 260 HG22 THR 38 HG22 THR 38 14.088 8.077 -13.640 261 HG23 THR 38 HG23 THR 38 14.547 6.495 -13.014 262 H LYS 39 HN LYS 39 12.978 8.538 -8.777 263 HA LYS 39 HA LYS 39 15.731 9.258 -8.115 264 HB2 LYS 39 HB2 LYS 39 14.396 11.156 -8.643 265 HB3 LYS 39 HB1 LYS 39 13.062 10.581 -7.655 266 HG2 LYS 39 HG2 LYS 39 14.131 12.406 -6.534 267 HG3 LYS 39 HG1 LYS 39 14.461 10.918 -5.646 268 HD2 LYS 39 HD2 LYS 39 16.673 10.787 -6.662 269 HD3 LYS 39 HD1 LYS 39 16.343 12.249 -7.594 270 HE2 LYS 39 HE2 LYS 39 16.044 13.474 -5.456 271 HE3 LYS 39 HE1 LYS 39 16.524 12.016 -4.591 272 HZ1 LYS 39 HZ1 LYS 39 18.659 12.102 -5.708 273 HZ2 LYS 39 HZ2 LYS 39 18.374 13.534 -4.860 274 HZ3 LYS 39 HZ3 LYS 39 18.198 13.501 -6.540 275 H ARG 40 HN ARG 40 16.613 8.436 -6.311 276 HA ARG 40 HA ARG 40 15.043 6.894 -4.481 277 HB2 ARG 40 HB2 ARG 40 17.327 6.219 -4.995 278 HB3 ARG 40 HB1 ARG 40 17.943 7.742 -4.371 279 HG2 ARG 40 HG2 ARG 40 17.399 7.166 -2.147 280 HG3 ARG 40 HG1 ARG 40 16.417 5.796 -2.668 281 HD2 ARG 40 HD2 ARG 40 18.585 5.075 -1.777 282 HD3 ARG 40 HD1 ARG 40 18.397 4.649 -3.476 283 HE ARG 40 HE ARG 40 19.710 7.128 -3.302 284 HH11 ARG 40 HH11 ARG 40 20.268 3.739 -2.636 285 HH12 ARG 40 HH12 ARG 40 21.985 3.845 -2.855 286 HH21 ARG 40 HH21 ARG 40 21.963 7.272 -3.606 287 HH22 ARG 40 HH22 ARG 40 22.952 5.856 -3.416 288 HA PRO 41 HA PRO 41 13.805 10.487 -2.168 289 HB2 PRO 41 HB2 PRO 41 12.489 9.167 -0.187 290 HB3 PRO 41 HB1 PRO 41 11.811 9.426 -1.796 291 HG2 PRO 41 HG2 PRO 41 13.175 7.003 -0.682 292 HG3 PRO 41 HG1 PRO 41 11.693 7.106 -1.659 293 HD2 PRO 41 HD2 PRO 41 14.066 6.446 -2.754 294 HD3 PRO 41 HD1 PRO 41 12.871 7.418 -3.642 295 H ALA 42 HN ALA 42 14.815 11.648 -0.665 296 HA ALA 42 HA ALA 42 16.720 10.285 1.096 297 HB1 ALA 42 HB1 ALA 42 17.615 12.034 -0.367 298 HB2 ALA 42 HB2 ALA 42 17.789 12.466 1.333 299 HB3 ALA 42 HB3 ALA 42 16.516 13.204 0.363 300 H GLY 43 HN GLY 43 16.699 10.604 3.339 301 HA2 GLY 43 HA2 GLY 43 15.915 11.472 5.371 302 HA3 GLY 43 HA1 GLY 43 14.677 12.354 4.489 303 H LYS 44 HN LYS 44 12.869 11.745 5.512 304 HA LYS 44 HA LYS 44 12.393 8.914 6.039 305 HB2 LYS 44 HB2 LYS 44 10.855 11.404 6.788 306 HB3 LYS 44 HB1 LYS 44 10.314 9.774 7.158 307 HG2 LYS 44 HG2 LYS 44 12.179 9.400 8.593 308 HG3 LYS 44 HG1 LYS 44 12.935 10.914 8.091 309 HD2 LYS 44 HD2 LYS 44 11.095 12.175 9.080 310 HD3 LYS 44 HD1 LYS 44 10.304 10.670 9.551 311 HE2 LYS 44 HE2 LYS 44 13.029 11.546 10.503 312 HE3 LYS 44 HE1 LYS 44 11.533 11.784 11.401 313 HZ1 LYS 44 HZ1 LYS 44 12.683 9.165 10.611 314 HZ2 LYS 44 HZ2 LYS 44 11.227 9.379 11.439 315 HZ3 LYS 44 HZ3 LYS 44 12.686 9.821 12.167 316 H TRP 45 HN TRP 45 11.669 7.819 4.340 317 HA TRP 45 HA TRP 45 9.799 9.083 2.507 318 HB2 TRP 45 HB2 TRP 45 11.629 7.951 1.419 319 HB3 TRP 45 HB1 TRP 45 11.323 6.481 2.340 320 HD1 TRP 45 HD1 TRP 45 9.597 8.646 -0.368 321 HE1 TRP 45 HE1 TRP 45 8.131 7.106 -1.811 322 HE3 TRP 45 HE3 TRP 45 10.288 4.267 2.174 323 HZ2 TRP 45 HZ2 TRP 45 7.374 4.389 -1.867 324 HZ3 TRP 45 HZ3 TRP 45 9.156 2.237 1.355 325 HH2 TRP 45 HH2 TRP 45 7.731 2.299 -0.621 326 H GLU 46 HN GLU 46 7.713 8.707 2.582 327 HA GLU 46 HA GLU 46 6.719 6.497 4.242 328 HB2 GLU 46 HB2 GLU 46 5.240 8.932 3.217 329 HB3 GLU 46 HB1 GLU 46 4.627 7.747 4.360 330 HG2 GLU 46 HG2 GLU 46 6.260 8.426 6.002 331 HG3 GLU 46 HG1 GLU 46 6.988 9.547 4.854 332 H CYS 47 HN CYS 47 5.694 4.822 3.257 333 HA CYS 47 HA CYS 47 5.755 4.578 0.449 334 HB2 CYS 47 HB2 CYS 47 4.757 2.430 0.735 335 HB3 CYS 47 HB1 CYS 47 5.819 2.669 2.115 336 HA PRO 48 HA PRO 48 2.042 6.556 -0.855 337 HB2 PRO 48 HB2 PRO 48 1.373 5.009 -3.010 338 HB3 PRO 48 HB1 PRO 48 2.679 6.203 -3.028 339 HG2 PRO 48 HG2 PRO 48 2.824 3.238 -2.658 340 HG3 PRO 48 HG1 PRO 48 3.868 4.300 -3.621 341 HD2 PRO 48 HD2 PRO 48 4.605 3.381 -1.199 342 HD3 PRO 48 HD1 PRO 48 5.077 4.992 -1.779 343 H TRP 49 HN TRP 49 2.078 3.478 0.422 344 HA TRP 49 HA TRP 49 -0.711 2.825 0.148 345 HB2 TRP 49 HB2 TRP 49 1.320 1.239 0.560 346 HB3 TRP 49 HB1 TRP 49 1.153 1.723 2.249 347 HD1 TRP 49 HD1 TRP 49 -1.663 0.755 -0.250 348 HE1 TRP 49 HE1 TRP 49 -2.972 -1.223 0.760 349 HE3 TRP 49 HE3 TRP 49 1.115 0.019 3.985 350 HZ2 TRP 49 HZ2 TRP 49 -2.849 -2.856 3.053 351 HZ3 TRP 49 HZ3 TRP 49 0.446 -1.766 5.537 352 HH2 TRP 49 HH2 TRP 49 -1.498 -3.179 5.078 353 H HIS 50 HN HIS 50 0.916 5.162 1.816 354 HA HIS 50 HA HIS 50 -1.128 5.289 3.929 355 HB2 HIS 50 HB2 HIS 50 1.430 6.891 3.680 356 HB3 HIS 50 HB1 HIS 50 0.302 6.929 5.035 357 HD1 HIS 50 HD1 HIS 50 0.118 3.635 5.038 358 HD2 HIS 50 HD2 HIS 50 3.478 6.067 5.312 359 HE1 HIS 50 HE1 HIS 50 1.912 2.256 6.186 360 H GLN 51 HN GLN 51 -0.773 6.260 0.876 361 HA GLN 51 HA GLN 51 -1.841 8.960 1.366 362 HB2 GLN 51 HB2 GLN 51 -0.184 8.042 -0.993 363 HB3 GLN 51 HB1 GLN 51 -0.865 9.648 -0.781 364 HG2 GLN 51 HG2 GLN 51 1.142 8.369 1.047 365 HG3 GLN 51 HG1 GLN 51 1.519 9.541 -0.215 366 HE21 GLN 51 HE21 GLN 51 1.938 9.709 2.675 367 HE22 GLN 51 HE22 GLN 51 1.090 11.119 3.199 368 H CYS 52 HN CYS 52 -3.656 9.554 0.342 369 HA CYS 52 HA CYS 52 -5.390 7.533 -0.610 370 HB2 CYS 52 HB2 CYS 52 -6.212 9.549 0.506 371 HB3 CYS 52 HB1 CYS 52 -5.603 10.543 -0.809 372 H ASP 53 HN ASP 53 -5.556 6.681 -2.548 373 HA ASP 53 HA ASP 53 -3.832 7.385 -4.667 374 HB2 ASP 53 HB2 ASP 53 -4.775 5.103 -4.263 375 HB3 ASP 53 HB1 ASP 53 -6.339 5.688 -4.821 376 H VAL 54 HN VAL 54 -6.854 8.664 -3.727 377 HA VAL 54 HA VAL 54 -7.517 9.583 -6.407 378 HB VAL 54 HB VAL 54 -8.998 10.031 -3.813 379 HG11 VAL 54 HG11 VAL 54 -9.819 10.573 -6.662 380 HG12 VAL 54 HG12 VAL 54 -9.449 11.786 -5.436 381 HG13 VAL 54 HG13 VAL 54 -10.854 10.735 -5.242 382 HG21 VAL 54 HG21 VAL 54 -10.579 8.378 -4.698 383 HG22 VAL 54 HG22 VAL 54 -8.976 7.685 -4.444 384 HG23 VAL 54 HG23 VAL 54 -9.509 8.103 -6.072 385 H CYS 55 HN CYS 55 -6.965 11.137 -3.202 386 HA CYS 55 HA CYS 55 -6.561 13.632 -4.699 387 HB2 CYS 55 HB2 CYS 55 -7.121 14.842 -2.655 388 HB3 CYS 55 HB1 CYS 55 -8.401 13.737 -3.123 389 H GLY 56 HN GLY 56 -4.784 11.318 -3.032 390 HA2 GLY 56 HA2 GLY 56 -2.509 11.283 -2.640 391 HA3 GLY 56 HA1 GLY 56 -2.434 12.951 -3.193 392 H LYS 57 HN LYS 57 -4.766 12.739 -0.816 393 HA LYS 57 HA LYS 57 -2.998 13.924 1.141 394 HB2 LYS 57 HB2 LYS 57 -5.960 13.360 1.252 395 HB3 LYS 57 HB1 LYS 57 -5.057 14.221 2.485 396 HG2 LYS 57 HG2 LYS 57 -4.507 15.966 0.861 397 HG3 LYS 57 HG1 LYS 57 -5.447 15.106 -0.364 398 HD2 LYS 57 HD2 LYS 57 -7.449 15.319 1.024 399 HD3 LYS 57 HD1 LYS 57 -6.510 16.172 2.249 400 HE2 LYS 57 HE2 LYS 57 -6.031 17.947 0.632 401 HE3 LYS 57 HE1 LYS 57 -6.991 17.098 -0.580 402 HZ1 LYS 57 HZ1 LYS 57 -8.289 18.827 0.446 403 HZ2 LYS 57 HZ2 LYS 57 -7.989 18.204 1.989 404 HZ3 LYS 57 HZ3 LYS 57 -8.920 17.323 0.887 405 H GLU 58 HN GLU 58 -3.810 13.212 3.517 406 HA GLU 58 HA GLU 58 -2.586 10.788 4.095 407 HB2 GLU 58 HB2 GLU 58 -2.874 12.557 5.746 408 HB3 GLU 58 HB1 GLU 58 -4.619 12.358 5.689 409 HG2 GLU 58 HG2 GLU 58 -4.293 10.028 6.531 410 HG3 GLU 58 HG1 GLU 58 -2.591 10.423 6.764 411 H ALA 59 HN ALA 59 -3.228 8.773 3.746 412 HA ALA 59 HA ALA 59 -5.991 8.162 3.170 413 HB1 ALA 59 HB1 ALA 59 -3.579 6.368 3.372 414 HB2 ALA 59 HB2 ALA 59 -4.254 7.058 1.895 415 HB3 ALA 59 HB3 ALA 59 -5.181 5.878 2.818 416 H ALA 60 HN ALA 60 -7.369 6.949 4.406 417 HA ALA 60 HA ALA 60 -6.559 6.542 7.204 418 HB1 ALA 60 HB1 ALA 60 -8.439 8.098 6.833 419 HB2 ALA 60 HB2 ALA 60 -8.902 6.686 7.780 420 HB3 ALA 60 HB3 ALA 60 -9.344 6.790 6.076 421 H SER 61 HN SER 61 -8.137 5.079 4.423 422 HA SER 61 HA SER 61 -7.989 2.479 5.781 423 HB2 SER 61 HB2 SER 61 -9.814 1.809 4.175 424 HB3 SER 61 HB1 SER 61 -10.291 3.027 5.354 425 HG SER 61 HG SER 61 -10.583 3.218 2.810 426 H PHE 62 HN PHE 62 -7.247 0.702 4.545 427 HA PHE 62 HA PHE 62 -5.620 1.513 2.224 428 HB2 PHE 62 HB2 PHE 62 -4.731 -0.576 4.209 429 HB3 PHE 62 HB1 PHE 62 -3.743 0.370 3.090 430 HD1 PHE 62 HD1 PHE 62 -4.835 0.023 6.425 431 HD2 PHE 62 HD2 PHE 62 -3.681 2.948 3.558 432 HE1 PHE 62 HE1 PHE 62 -4.376 1.619 8.240 433 HE2 PHE 62 HE2 PHE 62 -3.229 4.547 5.367 434 HZ PHE 62 HZ PHE 62 -3.570 3.883 7.712 435 H CYS 63 HN CYS 63 -5.957 0.252 0.433 436 HA CYS 63 HA CYS 63 -7.566 -2.094 0.550 437 HB2 CYS 63 HB2 CYS 63 -7.298 -0.693 -1.530 438 HB3 CYS 63 HB1 CYS 63 -5.668 -1.343 -1.687 439 H GLU 64 HN GLU 64 -6.998 -4.031 1.209 440 HA GLU 64 HA GLU 64 -4.222 -4.542 1.862 441 HB2 GLU 64 HB2 GLU 64 -6.713 -6.185 2.317 442 HB3 GLU 64 HB1 GLU 64 -5.117 -6.598 2.923 443 HG2 GLU 64 HG2 GLU 64 -5.095 -4.541 4.260 444 HG3 GLU 64 HG1 GLU 64 -6.700 -4.137 3.656 445 H MET 65 HN MET 65 -5.395 -4.514 -0.960 446 HA MET 65 HA MET 65 -4.110 -7.035 -1.756 447 HB2 MET 65 HB2 MET 65 -6.589 -5.828 -2.987 448 HB3 MET 65 HB1 MET 65 -5.700 -7.201 -3.650 449 HG2 MET 65 HG2 MET 65 -6.189 -8.505 -1.662 450 HG3 MET 65 HG1 MET 65 -7.029 -7.128 -0.947 451 HE1 MET 65 HE1 MET 65 -9.110 -8.770 -0.509 452 HE2 MET 65 HE2 MET 65 -8.239 -10.091 -1.288 453 HE3 MET 65 HE3 MET 65 -9.888 -9.708 -1.783 454 H CYS 66 HN CYS 66 -3.984 -3.695 -1.956 455 HA CYS 66 HA CYS 66 -1.935 -3.772 -3.918 456 HB2 CYS 66 HB2 CYS 66 -2.946 -2.628 -5.734 457 HB3 CYS 66 HB1 CYS 66 -4.092 -3.889 -5.298 458 HA PRO 67 HA PRO 67 -0.843 -0.031 -1.877 459 HB2 PRO 67 HB2 PRO 67 0.096 1.280 -4.321 460 HB3 PRO 67 HB1 PRO 67 1.038 0.631 -2.975 461 HG2 PRO 67 HG2 PRO 67 1.048 -0.520 -5.408 462 HG3 PRO 67 HG1 PRO 67 1.179 -1.466 -3.914 463 HD2 PRO 67 HD2 PRO 67 -1.250 -0.981 -5.628 464 HD3 PRO 67 HD1 PRO 67 -0.664 -2.508 -4.918 465 H SER 68 HN SER 68 -3.558 0.017 -3.488 466 HA SER 68 HA SER 68 -3.832 2.910 -3.747 467 HB2 SER 68 HB2 SER 68 -5.878 0.746 -4.313 468 HB3 SER 68 HB1 SER 68 -5.992 2.450 -4.759 469 HG SER 68 HG SER 68 -4.747 2.093 -6.419 470 H SER 69 HN SER 69 -3.779 3.594 -1.630 471 HA SER 69 HA SER 69 -5.896 2.638 0.155 472 HB2 SER 69 HB2 SER 69 -4.636 4.152 1.815 473 HB3 SER 69 HB1 SER 69 -3.806 2.689 1.280 474 HG SER 69 HG SER 69 -3.442 5.201 0.008 475 H PHE 70 HN PHE 70 -7.176 4.357 1.346 476 HA PHE 70 HA PHE 70 -7.571 6.706 -0.387 477 HB2 PHE 70 HB2 PHE 70 -9.787 4.929 0.664 478 HB3 PHE 70 HB1 PHE 70 -10.002 6.408 -0.273 479 HD1 PHE 70 HD1 PHE 70 -9.010 6.458 -2.629 480 HD2 PHE 70 HD2 PHE 70 -9.603 2.879 -0.407 481 HE1 PHE 70 HE1 PHE 70 -8.932 5.154 -4.715 482 HE2 PHE 70 HE2 PHE 70 -9.524 1.568 -2.488 483 HZ PHE 70 HZ PHE 70 -9.198 2.706 -4.646 484 H CYS 71 HN CYS 71 -8.472 8.522 0.617 485 HA CYS 71 HA CYS 71 -7.973 8.738 3.438 486 HB2 CYS 71 HB2 CYS 71 -8.542 11.074 3.180 487 HB3 CYS 71 HB1 CYS 71 -7.530 10.595 1.821 488 H LYS 72 HN LYS 72 -9.792 9.959 4.769 489 HA LYS 72 HA LYS 72 -11.835 8.113 5.180 490 HB2 LYS 72 HB2 LYS 72 -11.625 11.004 5.987 491 HB3 LYS 72 HB1 LYS 72 -12.937 9.959 6.508 492 HG2 LYS 72 HG2 LYS 72 -11.233 8.426 7.486 493 HG3 LYS 72 HG1 LYS 72 -10.010 9.635 7.098 494 HD2 LYS 72 HD2 LYS 72 -11.157 11.258 8.513 495 HD3 LYS 72 HD1 LYS 72 -12.402 10.065 8.882 496 HE2 LYS 72 HE2 LYS 72 -10.709 8.624 9.905 497 HE3 LYS 72 HE1 LYS 72 -9.472 9.825 9.542 498 HZ1 LYS 72 HZ1 LYS 72 -10.555 11.377 10.999 499 HZ2 LYS 72 HZ2 LYS 72 -10.265 9.940 11.843 500 HZ3 LYS 72 HZ3 LYS 72 -11.824 10.298 11.288 501 H GLN 73 HN GLN 73 -11.735 10.862 3.052 502 HA GLN 73 HA GLN 73 -14.583 10.901 2.639 503 HB2 GLN 73 HB2 GLN 73 -12.391 12.336 1.153 504 HB3 GLN 73 HB1 GLN 73 -14.112 12.657 0.995 505 HG2 GLN 73 HG2 GLN 73 -12.460 13.019 3.485 506 HG3 GLN 73 HG1 GLN 73 -13.016 14.308 2.420 507 HE21 GLN 73 HE21 GLN 73 -15.652 13.029 2.028 508 HE22 GLN 73 HE22 GLN 73 -16.520 13.285 3.500 509 H HIS 74 HN HIS 74 -11.737 9.831 0.824 510 HA HIS 74 HA HIS 74 -13.446 9.125 -1.433 511 HB2 HIS 74 HB2 HIS 74 -10.437 9.168 -1.143 512 HB3 HIS 74 HB1 HIS 74 -11.274 8.609 -2.595 513 HD2 HIS 74 HD2 HIS 74 -13.503 11.004 -2.690 514 HE1 HIS 74 HE1 HIS 74 -10.113 13.496 -2.921 515 HE2 HIS 74 HE2 HIS 74 -12.630 13.409 -3.084 516 H ARG 75 HN ARG 75 -13.002 7.565 1.259 517 HA ARG 75 HA ARG 75 -12.355 4.990 0.068 518 HB2 ARG 75 HB2 ARG 75 -12.499 4.081 2.323 519 HB3 ARG 75 HB1 ARG 75 -11.408 5.456 2.259 520 HG2 ARG 75 HG2 ARG 75 -13.243 6.866 3.161 521 HG3 ARG 75 HG1 ARG 75 -14.206 5.399 3.354 522 HD2 ARG 75 HD2 ARG 75 -12.487 4.465 4.819 523 HD3 ARG 75 HD1 ARG 75 -11.514 5.916 4.622 524 HE ARG 75 HE ARG 75 -13.940 6.793 5.564 525 HH11 ARG 75 HH11 ARG 75 -11.521 4.526 6.653 526 HH12 ARG 75 HH12 ARG 75 -11.805 4.817 8.335 527 HH21 ARG 75 HH21 ARG 75 -14.329 7.203 7.785 528 HH22 ARG 75 HH22 ARG 75 -13.416 6.339 8.980 529 H GLU 76 HN GLU 76 -15.084 6.896 0.757 530 HA GLU 76 HA GLU 76 -16.981 4.878 1.258 531 HB2 GLU 76 HB2 GLU 76 -17.262 7.656 0.140 532 HB3 GLU 76 HB1 GLU 76 -18.644 6.602 0.400 533 HG2 GLU 76 HG2 GLU 76 -17.785 6.436 2.817 534 HG3 GLU 76 HG1 GLU 76 -16.823 7.857 2.414 535 H GLY 77 HN GLY 77 -17.763 3.370 -0.046 536 HA2 GLY 77 HA2 GLY 77 -18.499 2.311 -1.945 537 HA3 GLY 77 HA1 GLY 77 -18.524 3.885 -2.730 538 H MET 78 HN MET 78 -15.458 3.514 -1.595 539 HA MET 78 HA MET 78 -14.566 2.491 -4.205 540 HB2 MET 78 HB2 MET 78 -13.092 4.235 -2.211 541 HB3 MET 78 HB1 MET 78 -12.421 3.648 -3.726 542 HG2 MET 78 HG2 MET 78 -14.794 5.491 -3.452 543 HG3 MET 78 HG1 MET 78 -13.159 5.969 -3.907 544 HE1 MET 78 HE1 MET 78 -13.957 7.165 -6.080 545 HE2 MET 78 HE2 MET 78 -15.630 6.796 -5.656 546 HE3 MET 78 HE3 MET 78 -15.030 6.436 -7.275 547 H LEU 79 HN LEU 79 -14.192 2.118 -0.731 548 HA LEU 79 HA LEU 79 -12.614 -0.316 -1.246 549 HB2 LEU 79 HB2 LEU 79 -11.544 1.684 0.015 550 HB3 LEU 79 HB1 LEU 79 -12.598 1.223 1.341 551 HG LEU 79 HG LEU 79 -11.524 -1.017 1.373 552 HD11 LEU 79 HD11 LEU 79 -9.694 0.223 -0.677 553 HD12 LEU 79 HD12 LEU 79 -10.761 -1.160 -0.917 554 HD13 LEU 79 HD13 LEU 79 -9.387 -1.288 0.175 555 HD21 LEU 79 HD21 LEU 79 -9.789 1.417 1.698 556 HD22 LEU 79 HD22 LEU 79 -9.322 -0.190 2.246 557 HD23 LEU 79 HD23 LEU 79 -10.745 0.596 2.931 558 H PHE 80 HN PHE 80 -13.295 -2.190 -0.244 559 HA PHE 80 HA PHE 80 -15.468 -2.086 1.685 560 HB2 PHE 80 HB2 PHE 80 -16.817 -3.729 0.341 561 HB3 PHE 80 HB1 PHE 80 -16.730 -2.121 -0.364 562 HD1 PHE 80 HD1 PHE 80 -15.743 -1.765 -2.502 563 HD2 PHE 80 HD2 PHE 80 -15.495 -5.593 -0.646 564 HE1 PHE 80 HE1 PHE 80 -14.951 -2.739 -4.612 565 HE2 PHE 80 HE2 PHE 80 -14.704 -6.562 -2.757 566 HZ PHE 80 HZ PHE 80 -14.443 -5.141 -4.745 567 H ILE 81 HN ILE 81 -15.975 -4.320 2.501 568 HA ILE 81 HA ILE 81 -13.484 -5.696 3.011 569 HB ILE 81 HB ILE 81 -16.280 -6.116 4.051 570 HG12 ILE 81 HG12 ILE 81 -15.022 -4.121 4.857 571 HG13 ILE 81 HG11 ILE 81 -15.401 -5.267 6.135 572 HG21 ILE 81 HG21 ILE 81 -13.770 -7.620 4.743 573 HG22 ILE 81 HG22 ILE 81 -15.216 -8.270 3.967 574 HG23 ILE 81 HG23 ILE 81 -15.288 -7.715 5.639 575 HD11 ILE 81 HD11 ILE 81 -13.109 -6.142 5.987 576 HD12 ILE 81 HD12 ILE 81 -13.170 -4.432 6.414 577 HD13 ILE 81 HD13 ILE 81 -12.745 -4.915 4.773 578 H SER 82 HN SER 82 -12.789 -7.463 2.045 579 HA SER 82 HA SER 82 -14.102 -8.603 -0.177 580 HB2 SER 82 HB2 SER 82 -11.677 -8.616 -0.005 581 HB3 SER 82 HB1 SER 82 -11.756 -9.597 1.453 582 HG SER 82 HG SER 82 -12.243 -10.313 -1.221 583 H LYS 83 HN LYS 83 -15.311 -10.375 -0.403 584 HA LYS 83 HA LYS 83 -16.621 -11.472 1.883 585 HB2 LYS 83 HB2 LYS 83 -16.687 -12.302 -1.019 586 HB3 LYS 83 HB1 LYS 83 -17.783 -12.883 0.229 587 HG2 LYS 83 HG2 LYS 83 -18.736 -10.725 0.505 588 HG3 LYS 83 HG1 LYS 83 -17.509 -9.987 -0.521 589 HD2 LYS 83 HD2 LYS 83 -18.359 -11.224 -2.442 590 HD3 LYS 83 HD1 LYS 83 -19.563 -12.007 -1.416 591 HE2 LYS 83 HE2 LYS 83 -20.615 -9.885 -0.963 592 HE3 LYS 83 HE1 LYS 83 -19.360 -9.030 -1.858 593 HZ1 LYS 83 HZ1 LYS 83 -20.082 -10.120 -3.872 594 HZ2 LYS 83 HZ2 LYS 83 -21.382 -9.309 -3.157 595 HZ3 LYS 83 HZ3 LYS 83 -21.259 -10.992 -3.021 596 H LEU 84 HN LEU 84 -13.871 -12.325 -0.011 597 HA LEU 84 HA LEU 84 -13.904 -15.109 0.764 598 HB2 LEU 84 HB2 LEU 84 -11.888 -13.486 -0.769 599 HB3 LEU 84 HB1 LEU 84 -11.781 -15.215 -0.508 600 HG LEU 84 HG LEU 84 -13.969 -13.817 -2.048 601 HD11 LEU 84 HD11 LEU 84 -11.834 -13.735 -3.212 602 HD12 LEU 84 HD12 LEU 84 -12.935 -14.858 -4.009 603 HD13 LEU 84 HD13 LEU 84 -11.633 -15.474 -2.992 604 HD21 LEU 84 HD21 LEU 84 -14.573 -16.116 -2.742 605 HD22 LEU 84 HD22 LEU 84 -14.809 -15.832 -1.019 606 HD23 LEU 84 HD23 LEU 84 -13.406 -16.743 -1.579 607 H ASP 85 HN ASP 85 -11.694 -12.355 1.242 608 HA ASP 85 HA ASP 85 -10.328 -13.927 3.308 609 HB2 ASP 85 HB2 ASP 85 -9.404 -11.585 1.650 610 HB3 ASP 85 HB1 ASP 85 -8.502 -12.183 3.037 611 H GLY 86 HN GLY 86 -12.548 -11.448 3.076 612 HA2 GLY 86 HA2 GLY 86 -13.434 -10.047 4.672 613 HA3 GLY 86 HA1 GLY 86 -12.387 -10.823 5.851 614 H ARG 87 HN ARG 87 -10.556 -9.777 3.316 615 HA ARG 87 HA ARG 87 -9.491 -7.564 4.855 616 HB2 ARG 87 HB2 ARG 87 -8.591 -8.953 2.331 617 HB3 ARG 87 HB1 ARG 87 -7.752 -7.575 3.024 618 HG2 ARG 87 HG2 ARG 87 -7.359 -8.850 5.075 619 HG3 ARG 87 HG1 ARG 87 -8.182 -10.237 4.358 620 HD2 ARG 87 HD2 ARG 87 -6.517 -10.386 2.628 621 HD3 ARG 87 HD1 ARG 87 -5.744 -8.905 3.194 622 HE ARG 87 HE ARG 87 -5.538 -10.400 5.366 623 HH11 ARG 87 HH11 ARG 87 -4.996 -11.277 2.023 624 HH12 ARG 87 HH12 ARG 87 -3.749 -12.424 2.390 625 HH21 ARG 87 HH21 ARG 87 -3.893 -11.917 5.856 626 HH22 ARG 87 HH22 ARG 87 -3.121 -12.789 4.571 627 H LEU 88 HN LEU 88 -9.148 -5.479 3.966 628 HA LEU 88 HA LEU 88 -11.359 -4.460 2.515 629 HB2 LEU 88 HB2 LEU 88 -8.700 -3.250 3.251 630 HB3 LEU 88 HB1 LEU 88 -9.969 -2.359 2.442 631 HG LEU 88 HG LEU 88 -10.444 -3.700 5.084 632 HD11 LEU 88 HD11 LEU 88 -9.473 -0.882 4.621 633 HD12 LEU 88 HD12 LEU 88 -8.519 -2.190 5.319 634 HD13 LEU 88 HD13 LEU 88 -9.939 -1.581 6.171 635 HD21 LEU 88 HD21 LEU 88 -12.420 -3.016 3.855 636 HD22 LEU 88 HD22 LEU 88 -11.753 -1.399 3.639 637 HD23 LEU 88 HD23 LEU 88 -12.187 -1.965 5.251 638 H SER 89 HN SER 89 -11.693 -4.360 0.405 639 HA SER 89 HA SER 89 -9.380 -4.499 -1.406 640 HB2 SER 89 HB2 SER 89 -10.559 -6.697 -1.258 641 HB3 SER 89 HB1 SER 89 -12.031 -5.912 -1.826 642 HG SER 89 HG SER 89 -9.808 -6.718 -3.217 643 H CYS 90 HN CYS 90 -9.437 -3.110 -3.092 644 HA CYS 90 HA CYS 90 -11.456 -1.043 -3.025 645 HB2 CYS 90 HB2 CYS 90 -10.013 0.185 -4.519 646 HB3 CYS 90 HB1 CYS 90 -9.001 -0.550 -3.276 647 H THR 91 HN THR 91 -12.386 -0.222 -5.084 648 HA THR 91 HA THR 91 -13.796 -2.308 -6.416 649 HB THR 91 HB THR 91 -14.741 -0.400 -7.769 650 HG1 THR 91 HG1 THR 91 -13.098 1.101 -7.666 651 HG21 THR 91 HG21 THR 91 -15.997 0.554 -5.879 652 HG22 THR 91 HG22 THR 91 -14.840 -0.169 -4.760 653 HG23 THR 91 HG23 THR 91 -15.859 -1.200 -5.763 654 H GLU 92 HN GLU 92 -10.734 -1.215 -6.918 655 HA GLU 92 HA GLU 92 -10.827 -1.191 -9.821 656 HB2 GLU 92 HB2 GLU 92 -8.443 -0.926 -7.984 657 HB3 GLU 92 HB1 GLU 92 -8.481 -0.588 -9.708 658 HG2 GLU 92 HG2 GLU 92 -9.887 0.931 -7.526 659 HG3 GLU 92 HG1 GLU 92 -8.542 1.485 -8.516 660 H HIS 93 HN HIS 93 -11.209 -3.585 -7.930 661 HA HIS 93 HA HIS 93 -9.310 -5.357 -9.314 662 HB2 HIS 93 HB2 HIS 93 -10.600 -5.733 -6.598 663 HB3 HIS 93 HB1 HIS 93 -9.607 -6.939 -7.408 664 HD1 HIS 93 HD1 HIS 93 -7.612 -4.417 -8.354 665 HD2 HIS 93 HD2 HIS 93 -8.655 -5.729 -4.552 666 HE1 HIS 93 HE1 HIS 93 -5.796 -3.595 -6.800 667 H ASP 94 HN ASP 94 -11.392 -4.665 -10.724 668 HA ASP 94 HA ASP 94 -13.214 -6.969 -10.584 669 HB2 ASP 94 HB2 ASP 94 -14.350 -4.833 -10.031 670 HB3 ASP 94 HB1 ASP 94 -13.861 -4.193 -11.592 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 7.355 -11.589 14.403 2 H2 GLY 1 HT2 GLY 1 6.978 -11.877 16.022 3 H3 GLY 1 HT3 GLY 1 7.842 -13.029 15.141 4 HA2 GLY 1 HA1 GLY 1 9.327 -11.843 16.607 5 HA3 GLY 1 HA2 GLY 1 9.706 -11.509 14.924 6 H ALA 2 HN ALA 2 10.781 -9.659 16.200 7 HA ALA 2 HA ALA 2 9.031 -7.544 17.079 8 HB1 ALA 2 HB1 ALA 2 11.080 -6.282 17.455 9 HB2 ALA 2 HB2 ALA 2 12.011 -7.524 16.621 10 HB3 ALA 2 HB3 ALA 2 11.206 -7.900 18.144 11 H MET 3 HN MET 3 7.784 -6.965 15.301 12 HA MET 3 HA MET 3 7.211 -5.898 13.379 13 HB2 MET 3 HB2 MET 3 8.489 -4.057 14.482 14 HB3 MET 3 HB1 MET 3 9.921 -4.584 13.614 15 HG2 MET 3 HG2 MET 3 8.891 -2.670 12.537 16 HG3 MET 3 HG1 MET 3 8.846 -4.091 11.494 17 HE1 MET 3 HE1 MET 3 6.769 -1.962 14.071 18 HE2 MET 3 HE2 MET 3 6.485 -3.622 14.593 19 HE3 MET 3 HE3 MET 3 5.169 -2.679 13.898 20 H GLU 4 HN GLU 4 7.463 -8.104 12.502 21 HA GLU 4 HA GLU 4 9.766 -8.866 11.056 22 HB2 GLU 4 HB2 GLU 4 8.098 -10.495 11.822 23 HB3 GLU 4 HB1 GLU 4 6.904 -9.782 10.747 24 HG2 GLU 4 HG2 GLU 4 8.274 -10.422 8.822 25 HG3 GLU 4 HG1 GLU 4 9.434 -11.174 9.916 26 H ARG 5 HN ARG 5 10.511 -7.626 9.479 27 HA ARG 5 HA ARG 5 8.914 -6.018 7.780 28 HB2 ARG 5 HB2 ARG 5 11.288 -5.564 8.344 29 HB3 ARG 5 HB1 ARG 5 11.757 -6.972 7.407 30 HG2 ARG 5 HG2 ARG 5 10.919 -5.933 5.380 31 HG3 ARG 5 HG1 ARG 5 10.377 -4.531 6.307 32 HD2 ARG 5 HD2 ARG 5 13.224 -5.484 6.054 33 HD3 ARG 5 HD1 ARG 5 12.522 -4.110 5.204 34 HE ARG 5 HE ARG 5 12.062 -3.338 7.659 35 HH11 ARG 5 HH11 ARG 5 14.933 -4.921 6.423 36 HH12 ARG 5 HH12 ARG 5 15.986 -4.191 7.589 37 HH21 ARG 5 HH21 ARG 5 13.445 -2.379 9.187 38 HH22 ARG 5 HH22 ARG 5 15.142 -2.739 9.164 39 H GLU 6 HN GLU 6 8.022 -6.448 5.845 40 HA GLU 6 HA GLU 6 7.726 -9.140 4.989 41 HB2 GLU 6 HB2 GLU 6 6.056 -7.255 4.727 42 HB3 GLU 6 HB1 GLU 6 7.075 -6.623 3.444 43 HG2 GLU 6 HG2 GLU 6 6.623 -8.445 2.040 44 HG3 GLU 6 HG1 GLU 6 5.958 -9.404 3.363 45 H ASP 7 HN ASP 7 8.675 -10.211 3.261 46 HA ASP 7 HA ASP 7 11.130 -8.929 2.258 47 HB2 ASP 7 HB2 ASP 7 12.057 -11.210 2.036 48 HB3 ASP 7 HB1 ASP 7 11.610 -10.830 3.696 49 H GLU 8 HN GLU 8 8.402 -8.894 1.089 50 HA GLU 8 HA GLU 8 9.189 -9.614 -1.604 51 HB2 GLU 8 HB2 GLU 8 8.098 -11.645 -0.715 52 HB3 GLU 8 HB1 GLU 8 6.671 -10.696 -0.326 53 HG2 GLU 8 HG2 GLU 8 6.271 -10.264 -2.663 54 HG3 GLU 8 HG1 GLU 8 7.767 -11.093 -3.100 55 H CYS 9 HN CYS 9 7.874 -8.546 -3.208 56 HA CYS 9 HA CYS 9 6.929 -6.007 -2.206 57 HB2 CYS 9 HB2 CYS 9 8.291 -6.030 -4.227 58 HB3 CYS 9 HB1 CYS 9 7.139 -7.110 -5.010 59 H PHE 10 HN PHE 10 4.926 -5.902 -1.456 60 HA PHE 10 HA PHE 10 2.858 -7.712 -2.117 61 HB2 PHE 10 HB2 PHE 10 2.906 -6.509 0.005 62 HB3 PHE 10 HB1 PHE 10 2.750 -4.969 -0.828 63 HD1 PHE 10 HD1 PHE 10 0.651 -4.044 -1.159 64 HD2 PHE 10 HD2 PHE 10 0.986 -8.199 -0.294 65 HE1 PHE 10 HE1 PHE 10 -1.796 -4.203 -0.976 66 HE2 PHE 10 HE2 PHE 10 -1.460 -8.360 -0.107 67 HZ PHE 10 HZ PHE 10 -2.851 -6.340 -0.421 68 H SER 11 HN SER 11 4.078 -4.989 -3.751 69 HA SER 11 HA SER 11 1.666 -4.269 -5.134 70 HB2 SER 11 HB2 SER 11 3.461 -2.620 -4.725 71 HB3 SER 11 HB1 SER 11 4.546 -3.561 -5.744 72 HG SER 11 HG SER 11 2.821 -1.678 -6.478 73 H CYS 12 HN CYS 12 4.400 -6.411 -5.754 74 HA CYS 12 HA CYS 12 3.296 -6.932 -8.441 75 HB2 CYS 12 HB2 CYS 12 6.160 -7.269 -7.543 76 HB3 CYS 12 HB1 CYS 12 5.543 -7.495 -9.178 77 H GLY 13 HN GLY 13 4.373 -8.386 -5.457 78 HA2 GLY 13 HA2 GLY 13 3.889 -10.563 -4.728 79 HA3 GLY 13 HA1 GLY 13 3.433 -10.989 -6.376 80 H ASP 14 HN ASP 14 6.354 -9.309 -6.189 81 HA ASP 14 HA ASP 14 7.907 -11.802 -6.265 82 HB2 ASP 14 HB2 ASP 14 8.103 -9.403 -8.084 83 HB3 ASP 14 HB1 ASP 14 9.415 -10.564 -7.919 84 H ALA 15 HN ALA 15 10.138 -11.578 -5.656 85 HA ALA 15 HA ALA 15 10.619 -9.271 -3.894 86 HB1 ALA 15 HB1 ALA 15 11.718 -12.065 -3.659 87 HB2 ALA 15 HB2 ALA 15 10.423 -11.377 -2.680 88 HB3 ALA 15 HB3 ALA 15 12.055 -10.719 -2.570 89 H GLY 16 HN GLY 16 12.849 -8.566 -3.717 90 HA2 GLY 16 HA2 GLY 16 15.004 -9.174 -5.248 91 HA3 GLY 16 HA1 GLY 16 13.965 -8.273 -6.347 92 H GLN 17 HN GLN 17 14.529 -6.189 -6.469 93 HA GLN 17 HA GLN 17 16.013 -4.914 -4.358 94 HB2 GLN 17 HB2 GLN 17 16.440 -4.404 -6.745 95 HB3 GLN 17 HB1 GLN 17 14.831 -3.703 -6.863 96 HG2 GLN 17 HG2 GLN 17 15.474 -2.068 -5.117 97 HG3 GLN 17 HG1 GLN 17 17.110 -2.720 -5.164 98 HE21 GLN 17 HE21 GLN 17 18.002 -0.790 -5.820 99 HE22 GLN 17 HE22 GLN 17 17.785 -0.156 -7.414 100 H LEU 18 HN LEU 18 14.644 -4.892 -2.580 101 HA LEU 18 HA LEU 18 12.084 -3.517 -2.903 102 HB2 LEU 18 HB2 LEU 18 13.117 -5.189 -0.615 103 HB3 LEU 18 HB1 LEU 18 11.525 -4.461 -0.705 104 HG LEU 18 HG LEU 18 12.506 -6.475 -2.709 105 HD11 LEU 18 HD11 LEU 18 11.148 -8.113 -1.492 106 HD12 LEU 18 HD12 LEU 18 10.882 -6.923 -0.219 107 HD13 LEU 18 HD13 LEU 18 12.507 -7.527 -0.535 108 HD21 LEU 18 HD21 LEU 18 10.118 -6.710 -3.185 109 HD22 LEU 18 HD22 LEU 18 10.691 -5.070 -3.474 110 HD23 LEU 18 HD23 LEU 18 9.769 -5.437 -2.018 111 H VAL 19 HN VAL 19 11.496 -1.789 -1.689 112 HA VAL 19 HA VAL 19 13.489 -0.637 0.140 113 HB VAL 19 HB VAL 19 13.413 0.812 -1.777 114 HG11 VAL 19 HG11 VAL 19 11.347 0.128 -2.800 115 HG12 VAL 19 HG12 VAL 19 11.323 1.873 -2.551 116 HG13 VAL 19 HG13 VAL 19 10.418 0.816 -1.467 117 HG21 VAL 19 HG21 VAL 19 12.597 2.909 -0.785 118 HG22 VAL 19 HG22 VAL 19 13.533 1.947 0.358 119 HG23 VAL 19 HG23 VAL 19 11.774 1.980 0.466 120 H SER 20 HN SER 20 12.754 -0.258 2.156 121 HA SER 20 HA SER 20 10.030 -1.176 2.672 122 HB2 SER 20 HB2 SER 20 11.874 -2.394 3.745 123 HB3 SER 20 HB1 SER 20 12.385 -0.916 4.553 124 HG SER 20 HG SER 20 10.728 -1.050 5.899 125 H CYS 21 HN CYS 21 8.699 -0.180 4.184 126 HA CYS 21 HA CYS 21 8.664 2.666 4.063 127 HB2 CYS 21 HB2 CYS 21 6.665 1.086 4.185 128 HB3 CYS 21 HB1 CYS 21 7.033 0.911 5.902 129 H LYS 22 HN LYS 22 9.153 4.161 5.642 130 HA LYS 22 HA LYS 22 10.859 3.148 7.788 131 HB2 LYS 22 HB2 LYS 22 10.505 5.925 6.649 132 HB3 LYS 22 HB1 LYS 22 11.616 5.514 7.950 133 HG2 LYS 22 HG2 LYS 22 12.885 4.088 6.494 134 HG3 LYS 22 HG1 LYS 22 11.710 4.305 5.196 135 HD2 LYS 22 HD2 LYS 22 12.267 6.643 5.023 136 HD3 LYS 22 HD1 LYS 22 13.344 6.524 6.415 137 HE2 LYS 22 HE2 LYS 22 13.697 5.067 3.799 138 HE3 LYS 22 HE1 LYS 22 14.564 6.524 4.279 139 HZ1 LYS 22 HZ1 LYS 22 14.693 3.887 5.634 140 HZ2 LYS 22 HZ2 LYS 22 15.479 5.284 6.162 141 HZ3 LYS 22 HZ3 LYS 22 15.906 4.582 4.685 142 H LYS 23 HN LYS 23 7.791 3.380 7.657 143 HA LYS 23 HA LYS 23 7.349 5.000 10.060 144 HB2 LYS 23 HB2 LYS 23 5.836 5.391 8.157 145 HB3 LYS 23 HB1 LYS 23 5.366 3.697 8.180 146 HG2 LYS 23 HG2 LYS 23 4.377 3.977 10.385 147 HG3 LYS 23 HG1 LYS 23 4.882 5.666 10.409 148 HD2 LYS 23 HD2 LYS 23 3.482 6.073 8.406 149 HD3 LYS 23 HD1 LYS 23 2.928 4.399 8.486 150 HE2 LYS 23 HE2 LYS 23 1.965 4.806 10.686 151 HE3 LYS 23 HE1 LYS 23 2.552 6.469 10.653 152 HZ1 LYS 23 HZ1 LYS 23 0.235 6.382 10.042 153 HZ2 LYS 23 HZ2 LYS 23 0.554 5.279 8.803 154 HZ3 LYS 23 HZ3 LYS 23 1.147 6.859 8.700 155 HA PRO 24 HA PRO 24 7.683 1.097 12.348 156 HB2 PRO 24 HB2 PRO 24 6.661 2.934 14.455 157 HB3 PRO 24 HB1 PRO 24 8.018 1.805 14.513 158 HG2 PRO 24 HG2 PRO 24 8.454 4.415 14.289 159 HG3 PRO 24 HG1 PRO 24 9.443 3.251 13.387 160 HD2 PRO 24 HD2 PRO 24 7.210 4.997 12.419 161 HD3 PRO 24 HD1 PRO 24 8.721 4.542 11.603 162 H GLY 25 HN GLY 25 6.155 -0.419 12.550 163 HA2 GLY 25 HA2 GLY 25 3.957 -1.161 13.221 164 HA3 GLY 25 HA1 GLY 25 3.345 0.439 12.799 165 H CYS 26 HN CYS 26 5.042 0.449 10.370 166 HA CYS 26 HA CYS 26 3.370 -1.295 8.690 167 HB2 CYS 26 HB2 CYS 26 3.103 1.143 8.371 168 HB3 CYS 26 HB1 CYS 26 4.826 1.277 8.035 169 HA PRO 27 HA PRO 27 7.479 -3.027 7.892 170 HB2 PRO 27 HB2 PRO 27 6.793 -5.592 8.038 171 HB3 PRO 27 HB1 PRO 27 6.817 -4.599 9.503 172 HG2 PRO 27 HG2 PRO 27 4.499 -5.566 7.899 173 HG3 PRO 27 HG1 PRO 27 4.623 -5.299 9.652 174 HD2 PRO 27 HD2 PRO 27 3.522 -3.522 7.709 175 HD3 PRO 27 HD1 PRO 27 3.812 -3.193 9.433 176 H LYS 28 HN LYS 28 5.212 -2.271 5.907 177 HA LYS 28 HA LYS 28 5.226 -4.408 3.981 178 HB2 LYS 28 HB2 LYS 28 3.495 -2.342 4.528 179 HB3 LYS 28 HB1 LYS 28 4.302 -1.765 3.064 180 HG2 LYS 28 HG2 LYS 28 2.235 -2.982 2.557 181 HG3 LYS 28 HG1 LYS 28 3.656 -3.780 1.876 182 HD2 LYS 28 HD2 LYS 28 3.642 -5.440 3.586 183 HD3 LYS 28 HD1 LYS 28 2.429 -4.560 4.516 184 HE2 LYS 28 HE2 LYS 28 0.757 -4.999 2.860 185 HE3 LYS 28 HE1 LYS 28 1.954 -5.687 1.764 186 HZ1 LYS 28 HZ1 LYS 28 0.618 -7.364 2.960 187 HZ2 LYS 28 HZ2 LYS 28 1.285 -6.826 4.419 188 HZ3 LYS 28 HZ3 LYS 28 2.285 -7.519 3.237 189 H VAL 29 HN VAL 29 6.176 -4.394 1.926 190 HA VAL 29 HA VAL 29 8.258 -2.375 1.496 191 HB VAL 29 HB VAL 29 9.074 -4.503 2.718 192 HG11 VAL 29 HG11 VAL 29 8.887 -5.583 -0.078 193 HG12 VAL 29 HG12 VAL 29 7.979 -6.147 1.325 194 HG13 VAL 29 HG13 VAL 29 9.731 -6.346 1.269 195 HG21 VAL 29 HG21 VAL 29 11.189 -4.512 1.362 196 HG22 VAL 29 HG22 VAL 29 10.656 -2.952 1.982 197 HG23 VAL 29 HG23 VAL 29 10.392 -3.360 0.290 198 H TYR 30 HN TYR 30 8.887 -2.124 -0.674 199 HA TYR 30 HA TYR 30 7.484 -3.658 -2.734 200 HB2 TYR 30 HB2 TYR 30 7.367 -0.635 -2.627 201 HB3 TYR 30 HB1 TYR 30 6.631 -1.669 -3.842 202 HD1 TYR 30 HD1 TYR 30 4.774 -3.265 -3.044 203 HD2 TYR 30 HD2 TYR 30 6.146 0.055 -0.766 204 HE1 TYR 30 HE1 TYR 30 2.674 -3.272 -1.774 205 HE2 TYR 30 HE2 TYR 30 4.049 0.050 0.515 206 HH TYR 30 HH TYR 30 1.836 -2.517 0.404 207 H HIS 31 HN HIS 31 8.322 -2.976 -4.940 208 HA HIS 31 HA HIS 31 11.177 -2.514 -4.861 209 HB2 HIS 31 HB2 HIS 31 9.380 -2.631 -7.299 210 HB3 HIS 31 HB1 HIS 31 11.137 -2.775 -7.275 211 HD2 HIS 31 HD2 HIS 31 11.879 -5.165 -5.612 212 HE1 HIS 31 HE1 HIS 31 8.535 -7.203 -7.219 213 HE2 HIS 31 HE2 HIS 31 10.888 -7.470 -6.298 214 H ALA 32 HN ALA 32 12.220 -0.689 -5.656 215 HA ALA 32 HA ALA 32 10.891 1.785 -5.462 216 HB1 ALA 32 HB1 ALA 32 12.971 2.745 -6.351 217 HB2 ALA 32 HB2 ALA 32 13.538 1.121 -6.742 218 HB3 ALA 32 HB3 ALA 32 13.270 1.582 -5.060 219 H ASP 33 HN ASP 33 11.510 -0.386 -8.102 220 HA ASP 33 HA ASP 33 11.060 1.335 -10.273 221 HB2 ASP 33 HB2 ASP 33 12.098 -0.771 -10.695 222 HB3 ASP 33 HB1 ASP 33 10.759 -1.654 -9.978 223 H CYS 34 HN CYS 34 8.794 -0.881 -8.621 224 HA CYS 34 HA CYS 34 6.610 -0.168 -10.297 225 HB2 CYS 34 HB2 CYS 34 5.305 -1.343 -8.349 226 HB3 CYS 34 HB1 CYS 34 6.379 -2.300 -9.368 227 H LEU 35 HN LEU 35 7.910 1.117 -7.352 228 HA LEU 35 HA LEU 35 5.564 2.677 -6.733 229 HB2 LEU 35 HB2 LEU 35 8.374 2.798 -5.657 230 HB3 LEU 35 HB1 LEU 35 7.028 3.727 -5.032 231 HG LEU 35 HG LEU 35 7.226 0.718 -4.995 232 HD11 LEU 35 HD11 LEU 35 8.819 1.514 -3.478 233 HD12 LEU 35 HD12 LEU 35 7.385 1.204 -2.493 234 HD13 LEU 35 HD13 LEU 35 7.790 2.850 -2.969 235 HD21 LEU 35 HD21 LEU 35 5.220 2.599 -3.760 236 HD22 LEU 35 HD22 LEU 35 5.287 0.858 -3.499 237 HD23 LEU 35 HD23 LEU 35 4.917 1.496 -5.100 238 H ASN 36 HN ASN 36 7.970 2.919 -8.996 239 HA ASN 36 HA ASN 36 8.652 4.519 -10.438 240 HB2 ASN 36 HB2 ASN 36 6.177 4.963 -10.553 241 HB3 ASN 36 HB1 ASN 36 6.398 6.204 -9.329 242 HD21 ASN 36 HD21 ASN 36 7.248 5.245 -12.597 243 HD22 ASN 36 HD22 ASN 36 7.572 6.843 -13.178 244 H LEU 37 HN LEU 37 9.801 4.321 -7.841 245 HA LEU 37 HA LEU 37 10.344 7.001 -6.923 246 HB2 LEU 37 HB2 LEU 37 11.496 4.333 -6.140 247 HB3 LEU 37 HB1 LEU 37 11.983 5.849 -5.412 248 HG LEU 37 HG LEU 37 9.238 4.601 -5.274 249 HD11 LEU 37 HD11 LEU 37 11.309 5.077 -3.136 250 HD12 LEU 37 HD12 LEU 37 10.944 3.519 -3.874 251 HD13 LEU 37 HD13 LEU 37 9.721 4.348 -2.910 252 HD21 LEU 37 HD21 LEU 37 8.706 6.445 -3.735 253 HD22 LEU 37 HD22 LEU 37 9.040 7.015 -5.370 254 HD23 LEU 37 HD23 LEU 37 10.261 7.188 -4.109 255 H THR 38 HN THR 38 11.113 7.707 -9.056 256 HA THR 38 HA THR 38 13.572 6.741 -10.100 257 HB THR 38 HB THR 38 12.422 9.501 -10.526 258 HG1 THR 38 HG1 THR 38 11.496 6.983 -11.300 259 HG21 THR 38 HG21 THR 38 14.652 9.101 -11.459 260 HG22 THR 38 HG22 THR 38 13.451 9.269 -12.739 261 HG23 THR 38 HG23 THR 38 14.049 7.670 -12.296 262 H LYS 39 HN LYS 39 12.664 9.274 -7.844 263 HA LYS 39 HA LYS 39 15.496 9.875 -7.359 264 HB2 LYS 39 HB2 LYS 39 13.010 11.324 -6.408 265 HB3 LYS 39 HB1 LYS 39 14.659 11.804 -6.046 266 HG2 LYS 39 HG2 LYS 39 15.081 12.222 -8.405 267 HG3 LYS 39 HG1 LYS 39 13.450 11.686 -8.806 268 HD2 LYS 39 HD2 LYS 39 13.558 14.110 -8.760 269 HD3 LYS 39 HD1 LYS 39 12.528 13.518 -7.456 270 HE2 LYS 39 HE2 LYS 39 13.985 15.334 -6.703 271 HE3 LYS 39 HE1 LYS 39 14.340 13.827 -5.863 272 HZ1 LYS 39 HZ1 LYS 39 15.877 14.809 -8.206 273 HZ2 LYS 39 HZ2 LYS 39 16.272 13.510 -7.195 274 HZ3 LYS 39 HZ3 LYS 39 16.324 15.090 -6.601 275 H ARG 40 HN ARG 40 16.443 8.860 -5.724 276 HA ARG 40 HA ARG 40 15.037 7.098 -4.025 277 HB2 ARG 40 HB2 ARG 40 17.842 8.182 -3.746 278 HB3 ARG 40 HB1 ARG 40 17.195 6.794 -2.887 279 HG2 ARG 40 HG2 ARG 40 16.956 5.571 -4.949 280 HG3 ARG 40 HG1 ARG 40 17.470 6.980 -5.876 281 HD2 ARG 40 HD2 ARG 40 19.123 5.419 -3.894 282 HD3 ARG 40 HD1 ARG 40 19.320 5.438 -5.646 283 HE ARG 40 HE ARG 40 19.509 8.060 -4.584 284 HH11 ARG 40 HH11 ARG 40 21.317 5.081 -4.911 285 HH12 ARG 40 HH12 ARG 40 22.861 5.861 -4.793 286 HH21 ARG 40 HH21 ARG 40 21.531 9.082 -4.417 287 HH22 ARG 40 HH22 ARG 40 22.984 8.136 -4.499 288 HA PRO 41 HA PRO 41 13.678 10.238 -1.138 289 HB2 PRO 41 HB2 PRO 41 12.437 8.545 0.592 290 HB3 PRO 41 HB1 PRO 41 11.718 9.069 -0.934 291 HG2 PRO 41 HG2 PRO 41 13.144 6.522 -0.281 292 HG3 PRO 41 HG1 PRO 41 11.661 6.765 -1.229 293 HD2 PRO 41 HD2 PRO 41 14.069 6.363 -2.397 294 HD3 PRO 41 HD1 PRO 41 12.832 7.404 -3.129 295 H ALA 42 HN ALA 42 14.277 10.977 0.889 296 HA ALA 42 HA ALA 42 16.260 9.371 2.346 297 HB1 ALA 42 HB1 ALA 42 17.444 10.964 0.917 298 HB2 ALA 42 HB2 ALA 42 17.660 11.358 2.621 299 HB3 ALA 42 HB3 ALA 42 16.533 12.290 1.636 300 H GLY 43 HN GLY 43 16.347 9.736 4.593 301 HA2 GLY 43 HA2 GLY 43 15.748 10.691 6.632 302 HA3 GLY 43 HA1 GLY 43 14.707 11.816 5.773 303 H LYS 44 HN LYS 44 12.643 11.581 6.237 304 HA LYS 44 HA LYS 44 11.676 8.950 7.097 305 HB2 LYS 44 HB2 LYS 44 11.273 10.906 8.589 306 HB3 LYS 44 HB1 LYS 44 10.312 11.640 7.312 307 HG2 LYS 44 HG2 LYS 44 8.752 10.668 8.741 308 HG3 LYS 44 HG1 LYS 44 8.888 9.532 7.398 309 HD2 LYS 44 HD2 LYS 44 10.502 8.214 8.759 310 HD3 LYS 44 HD1 LYS 44 10.184 9.301 10.112 311 HE2 LYS 44 HE2 LYS 44 8.326 7.349 8.790 312 HE3 LYS 44 HE1 LYS 44 8.785 7.457 10.489 313 HZ1 LYS 44 HZ1 LYS 44 6.620 8.314 10.334 314 HZ2 LYS 44 HZ2 LYS 44 6.977 9.238 8.966 315 HZ3 LYS 44 HZ3 LYS 44 7.614 9.678 10.477 316 H TRP 45 HN TRP 45 10.904 7.776 5.469 317 HA TRP 45 HA TRP 45 9.330 9.137 3.405 318 HB2 TRP 45 HB2 TRP 45 11.335 8.113 2.484 319 HB3 TRP 45 HB1 TRP 45 10.917 6.573 3.227 320 HD1 TRP 45 HD1 TRP 45 9.473 8.992 0.565 321 HE1 TRP 45 HE1 TRP 45 8.247 7.594 -1.204 322 HE3 TRP 45 HE3 TRP 45 10.011 4.376 2.690 323 HZ2 TRP 45 HZ2 TRP 45 7.591 4.872 -1.641 324 HZ3 TRP 45 HZ3 TRP 45 9.057 2.425 1.533 325 HH2 TRP 45 HH2 TRP 45 7.873 2.670 -0.584 326 H GLU 46 HN GLU 46 7.237 8.724 3.355 327 HA GLU 46 HA GLU 46 6.167 6.414 4.802 328 HB2 GLU 46 HB2 GLU 46 4.578 8.573 3.409 329 HB3 GLU 46 HB1 GLU 46 4.044 7.500 4.691 330 HG2 GLU 46 HG2 GLU 46 6.076 9.693 5.009 331 HG3 GLU 46 HG1 GLU 46 4.372 9.818 5.432 332 H CYS 47 HN CYS 47 5.361 4.654 3.691 333 HA CYS 47 HA CYS 47 5.723 4.444 0.887 334 HB2 CYS 47 HB2 CYS 47 4.766 2.255 1.048 335 HB3 CYS 47 HB1 CYS 47 5.711 2.498 2.511 336 HA PRO 48 HA PRO 48 2.061 6.371 -0.649 337 HB2 PRO 48 HB2 PRO 48 1.621 4.867 -2.909 338 HB3 PRO 48 HB1 PRO 48 2.818 6.164 -2.790 339 HG2 PRO 48 HG2 PRO 48 3.190 3.211 -2.590 340 HG3 PRO 48 HG1 PRO 48 4.222 4.429 -3.364 341 HD2 PRO 48 HD2 PRO 48 4.798 3.354 -0.946 342 HD3 PRO 48 HD1 PRO 48 5.231 5.023 -1.370 343 H TRP 49 HN TRP 49 2.101 3.236 0.505 344 HA TRP 49 HA TRP 49 -0.668 2.586 0.107 345 HB2 TRP 49 HB2 TRP 49 1.322 0.997 0.655 346 HB3 TRP 49 HB1 TRP 49 1.086 1.522 2.322 347 HD1 TRP 49 HD1 TRP 49 -1.745 0.648 -0.172 348 HE1 TRP 49 HE1 TRP 49 -3.064 -1.351 0.782 349 HE3 TRP 49 HE3 TRP 49 1.118 -0.317 3.959 350 HZ2 TRP 49 HZ2 TRP 49 -2.918 -3.080 2.998 351 HZ3 TRP 49 HZ3 TRP 49 0.454 -2.158 5.448 352 HH2 TRP 49 HH2 TRP 49 -1.527 -3.516 4.973 353 H HIS 50 HN HIS 50 0.940 4.892 1.869 354 HA HIS 50 HA HIS 50 -1.268 5.173 3.794 355 HB2 HIS 50 HB2 HIS 50 1.362 6.676 3.710 356 HB3 HIS 50 HB1 HIS 50 0.137 6.774 4.976 357 HD1 HIS 50 HD1 HIS 50 -0.143 3.473 4.957 358 HD2 HIS 50 HD2 HIS 50 3.228 5.826 5.549 359 HE1 HIS 50 HE1 HIS 50 1.512 2.044 6.237 360 H GLN 51 HN GLN 51 -0.848 5.914 0.768 361 HA GLN 51 HA GLN 51 -1.713 8.716 1.034 362 HB2 GLN 51 HB2 GLN 51 -0.085 7.528 -1.225 363 HB3 GLN 51 HB1 GLN 51 -0.659 9.188 -1.134 364 HG2 GLN 51 HG2 GLN 51 1.147 7.986 0.934 365 HG3 GLN 51 HG1 GLN 51 1.753 8.787 -0.512 366 HE21 GLN 51 HE21 GLN 51 0.037 9.231 2.514 367 HE22 GLN 51 HE22 GLN 51 0.247 10.945 2.586 368 H CYS 52 HN CYS 52 -3.567 9.223 0.169 369 HA CYS 52 HA CYS 52 -5.336 7.252 -0.801 370 HB2 CYS 52 HB2 CYS 52 -6.072 9.262 0.397 371 HB3 CYS 52 HB1 CYS 52 -5.501 10.268 -0.923 372 H ASP 53 HN ASP 53 -5.440 6.403 -2.756 373 HA ASP 53 HA ASP 53 -3.760 7.150 -4.866 374 HB2 ASP 53 HB2 ASP 53 -4.726 4.883 -4.602 375 HB3 ASP 53 HB1 ASP 53 -6.312 5.519 -5.027 376 H VAL 54 HN VAL 54 -6.856 8.356 -3.954 377 HA VAL 54 HA VAL 54 -7.502 9.374 -6.574 378 HB VAL 54 HB VAL 54 -8.857 9.870 -3.920 379 HG11 VAL 54 HG11 VAL 54 -10.728 10.713 -5.256 380 HG12 VAL 54 HG12 VAL 54 -9.752 10.547 -6.716 381 HG13 VAL 54 HG13 VAL 54 -9.278 11.696 -5.464 382 HG21 VAL 54 HG21 VAL 54 -9.541 8.030 -6.205 383 HG22 VAL 54 HG22 VAL 54 -10.575 8.345 -4.812 384 HG23 VAL 54 HG23 VAL 54 -9.014 7.552 -4.592 385 H CYS 55 HN CYS 55 -6.743 10.914 -3.408 386 HA CYS 55 HA CYS 55 -6.372 13.395 -4.926 387 HB2 CYS 55 HB2 CYS 55 -6.745 14.605 -2.826 388 HB3 CYS 55 HB1 CYS 55 -8.095 13.563 -3.246 389 H GLY 56 HN GLY 56 -4.575 11.062 -3.213 390 HA2 GLY 56 HA2 GLY 56 -2.255 10.952 -3.117 391 HA3 GLY 56 HA1 GLY 56 -2.182 12.631 -3.641 392 H LYS 57 HN LYS 57 -4.315 12.452 -1.096 393 HA LYS 57 HA LYS 57 -2.286 13.471 0.728 394 HB2 LYS 57 HB2 LYS 57 -5.297 13.470 0.874 395 HB3 LYS 57 HB1 LYS 57 -4.262 14.078 2.155 396 HG2 LYS 57 HG2 LYS 57 -3.344 15.746 0.650 397 HG3 LYS 57 HG1 LYS 57 -4.348 15.124 -0.662 398 HD2 LYS 57 HD2 LYS 57 -6.355 15.726 0.538 399 HD3 LYS 57 HD1 LYS 57 -5.403 16.238 1.932 400 HE2 LYS 57 HE2 LYS 57 -6.164 18.134 0.556 401 HE3 LYS 57 HE1 LYS 57 -4.408 18.022 0.646 402 HZ1 LYS 57 HZ1 LYS 57 -6.065 17.043 -1.616 403 HZ2 LYS 57 HZ2 LYS 57 -4.375 17.024 -1.533 404 HZ3 LYS 57 HZ3 LYS 57 -5.200 18.494 -1.598 405 H GLU 58 HN GLU 58 -3.213 12.953 3.159 406 HA GLU 58 HA GLU 58 -2.267 10.423 3.766 407 HB2 GLU 58 HB2 GLU 58 -3.213 10.802 6.016 408 HB3 GLU 58 HB1 GLU 58 -2.320 12.190 5.413 409 HG2 GLU 58 HG2 GLU 58 -4.446 13.248 4.779 410 HG3 GLU 58 HG1 GLU 58 -5.310 11.873 5.467 411 H ALA 59 HN ALA 59 -3.128 8.459 3.990 412 HA ALA 59 HA ALA 59 -5.919 8.098 3.194 413 HB1 ALA 59 HB1 ALA 59 -3.631 6.146 3.306 414 HB2 ALA 59 HB2 ALA 59 -4.313 6.897 1.862 415 HB3 ALA 59 HB3 ALA 59 -5.275 5.757 2.800 416 H ALA 60 HN ALA 60 -7.363 6.889 4.407 417 HA ALA 60 HA ALA 60 -6.579 6.494 7.214 418 HB1 ALA 60 HB1 ALA 60 -8.349 8.131 6.894 419 HB2 ALA 60 HB2 ALA 60 -8.958 6.714 7.748 420 HB3 ALA 60 HB3 ALA 60 -9.318 6.933 6.035 421 H SER 61 HN SER 61 -7.997 4.975 4.410 422 HA SER 61 HA SER 61 -7.917 2.424 5.861 423 HB2 SER 61 HB2 SER 61 -9.836 1.705 4.412 424 HB3 SER 61 HB1 SER 61 -10.240 2.995 5.541 425 HG SER 61 HG SER 61 -9.865 3.130 2.758 426 H PHE 62 HN PHE 62 -7.161 0.639 4.685 427 HA PHE 62 HA PHE 62 -5.653 1.397 2.266 428 HB2 PHE 62 HB2 PHE 62 -4.698 -0.659 4.253 429 HB3 PHE 62 HB1 PHE 62 -3.751 0.264 3.082 430 HD1 PHE 62 HD1 PHE 62 -4.564 -0.068 6.457 431 HD2 PHE 62 HD2 PHE 62 -3.821 2.901 3.503 432 HE1 PHE 62 HE1 PHE 62 -4.033 1.557 8.225 433 HE2 PHE 62 HE2 PHE 62 -3.293 4.527 5.267 434 HZ PHE 62 HZ PHE 62 -3.395 3.858 7.629 435 H CYS 63 HN CYS 63 -5.948 0.073 0.514 436 HA CYS 63 HA CYS 63 -7.630 -2.225 0.688 437 HB2 CYS 63 HB2 CYS 63 -7.363 -0.847 -1.405 438 HB3 CYS 63 HB1 CYS 63 -5.751 -1.534 -1.585 439 H GLU 64 HN GLU 64 -7.102 -4.200 1.298 440 HA GLU 64 HA GLU 64 -4.304 -4.798 1.839 441 HB2 GLU 64 HB2 GLU 64 -6.780 -6.425 2.425 442 HB3 GLU 64 HB1 GLU 64 -5.163 -6.757 3.025 443 HG2 GLU 64 HG2 GLU 64 -5.195 -4.673 4.294 444 HG3 GLU 64 HG1 GLU 64 -6.802 -4.312 3.667 445 H MET 65 HN MET 65 -5.713 -4.768 -0.897 446 HA MET 65 HA MET 65 -4.601 -7.356 -1.746 447 HB2 MET 65 HB2 MET 65 -7.071 -5.999 -2.842 448 HB3 MET 65 HB1 MET 65 -6.322 -7.442 -3.528 449 HG2 MET 65 HG2 MET 65 -6.763 -8.662 -1.463 450 HG3 MET 65 HG1 MET 65 -7.494 -7.221 -0.759 451 HE1 MET 65 HE1 MET 65 -7.786 -10.055 -3.416 452 HE2 MET 65 HE2 MET 65 -7.842 -8.636 -4.461 453 HE3 MET 65 HE3 MET 65 -9.276 -9.641 -4.265 454 H CYS 66 HN CYS 66 -4.150 -4.116 -1.864 455 HA CYS 66 HA CYS 66 -2.175 -4.306 -3.859 456 HB2 CYS 66 HB2 CYS 66 -3.061 -2.970 -5.624 457 HB3 CYS 66 HB1 CYS 66 -4.291 -4.177 -5.278 458 HA PRO 67 HA PRO 67 -0.734 -0.781 -1.643 459 HB2 PRO 67 HB2 PRO 67 0.316 0.475 -4.087 460 HB3 PRO 67 HB1 PRO 67 1.192 -0.186 -2.704 461 HG2 PRO 67 HG2 PRO 67 1.217 -1.414 -5.082 462 HG3 PRO 67 HG1 PRO 67 1.196 -2.331 -3.564 463 HD2 PRO 67 HD2 PRO 67 -1.090 -1.702 -5.417 464 HD3 PRO 67 HD1 PRO 67 -0.665 -3.248 -4.639 465 H SER 68 HN SER 68 -3.403 -0.440 -3.335 466 HA SER 68 HA SER 68 -3.399 2.468 -3.557 467 HB2 SER 68 HB2 SER 68 -5.566 0.479 -4.270 468 HB3 SER 68 HB1 SER 68 -5.585 2.206 -4.628 469 HG SER 68 HG SER 68 -3.513 1.723 -5.776 470 H SER 69 HN SER 69 -3.797 3.555 -1.761 471 HA SER 69 HA SER 69 -5.852 2.528 0.081 472 HB2 SER 69 HB2 SER 69 -4.684 3.992 1.789 473 HB3 SER 69 HB1 SER 69 -3.739 2.613 1.220 474 HG SER 69 HG SER 69 -3.432 4.956 -0.233 475 H PHE 70 HN PHE 70 -7.043 4.355 1.279 476 HA PHE 70 HA PHE 70 -7.403 6.682 -0.475 477 HB2 PHE 70 HB2 PHE 70 -9.669 4.930 0.503 478 HB3 PHE 70 HB1 PHE 70 -9.841 6.425 -0.420 479 HD1 PHE 70 HD1 PHE 70 -8.776 6.488 -2.739 480 HD2 PHE 70 HD2 PHE 70 -9.508 2.892 -0.594 481 HE1 PHE 70 HE1 PHE 70 -8.676 5.221 -4.846 482 HE2 PHE 70 HE2 PHE 70 -9.411 1.612 -2.696 483 HZ PHE 70 HZ PHE 70 -8.971 2.750 -4.808 484 H CYS 71 HN CYS 71 -8.315 8.496 0.513 485 HA CYS 71 HA CYS 71 -7.907 8.677 3.363 486 HB2 CYS 71 HB2 CYS 71 -8.314 11.034 3.109 487 HB3 CYS 71 HB1 CYS 71 -7.314 10.523 1.752 488 H LYS 72 HN LYS 72 -9.721 9.970 4.607 489 HA LYS 72 HA LYS 72 -11.908 8.273 4.866 490 HB2 LYS 72 HB2 LYS 72 -11.540 11.129 5.728 491 HB3 LYS 72 HB1 LYS 72 -12.951 10.170 6.161 492 HG2 LYS 72 HG2 LYS 72 -11.487 8.536 7.253 493 HG3 LYS 72 HG1 LYS 72 -10.092 9.532 6.843 494 HD2 LYS 72 HD2 LYS 72 -10.954 11.344 8.198 495 HD3 LYS 72 HD1 LYS 72 -12.411 10.412 8.552 496 HE2 LYS 72 HE2 LYS 72 -11.079 8.728 9.683 497 HE3 LYS 72 HE1 LYS 72 -9.605 9.608 9.293 498 HZ1 LYS 72 HZ1 LYS 72 -10.433 11.464 10.620 499 HZ2 LYS 72 HZ2 LYS 72 -10.284 10.057 11.544 500 HZ3 LYS 72 HZ3 LYS 72 -11.809 10.569 11.026 501 H GLN 73 HN GLN 73 -11.571 11.207 2.962 502 HA GLN 73 HA GLN 73 -14.298 11.441 2.247 503 HB2 GLN 73 HB2 GLN 73 -11.775 12.504 1.005 504 HB3 GLN 73 HB1 GLN 73 -13.355 12.821 0.312 505 HG2 GLN 73 HG2 GLN 73 -12.822 14.706 1.615 506 HG3 GLN 73 HG1 GLN 73 -14.005 13.795 2.550 507 HE21 GLN 73 HE21 GLN 73 -10.595 12.993 2.216 508 HE22 GLN 73 HE22 GLN 73 -10.183 13.276 3.874 509 H HIS 74 HN HIS 74 -11.547 9.836 0.717 510 HA HIS 74 HA HIS 74 -13.292 9.090 -1.516 511 HB2 HIS 74 HB2 HIS 74 -10.270 9.092 -1.333 512 HB3 HIS 74 HB1 HIS 74 -11.199 8.614 -2.757 513 HD2 HIS 74 HD2 HIS 74 -13.308 11.084 -2.793 514 HE1 HIS 74 HE1 HIS 74 -9.840 13.493 -2.900 515 HE2 HIS 74 HE2 HIS 74 -12.363 13.482 -3.096 516 H ARG 75 HN ARG 75 -12.865 7.672 1.236 517 HA ARG 75 HA ARG 75 -12.067 5.059 0.220 518 HB2 ARG 75 HB2 ARG 75 -12.219 4.268 2.509 519 HB3 ARG 75 HB1 ARG 75 -11.239 5.723 2.432 520 HG2 ARG 75 HG2 ARG 75 -13.173 7.030 3.225 521 HG3 ARG 75 HG1 ARG 75 -14.095 5.531 3.361 522 HD2 ARG 75 HD2 ARG 75 -12.541 4.678 5.000 523 HD3 ARG 75 HD1 ARG 75 -11.508 6.090 4.812 524 HE ARG 75 HE ARG 75 -13.877 7.169 5.544 525 HH11 ARG 75 HH11 ARG 75 -11.979 4.557 6.895 526 HH12 ARG 75 HH12 ARG 75 -12.448 4.889 8.529 527 HH21 ARG 75 HH21 ARG 75 -14.492 7.620 7.705 528 HH22 ARG 75 HH22 ARG 75 -13.872 6.634 8.992 529 H GLU 76 HN GLU 76 -14.922 6.792 1.182 530 HA GLU 76 HA GLU 76 -16.617 4.532 1.379 531 HB2 GLU 76 HB2 GLU 76 -17.187 7.464 1.007 532 HB3 GLU 76 HB1 GLU 76 -18.453 6.255 1.164 533 HG2 GLU 76 HG2 GLU 76 -17.529 5.619 3.359 534 HG3 GLU 76 HG1 GLU 76 -16.339 6.907 3.204 535 H GLY 77 HN GLY 77 -17.516 3.350 -0.183 536 HA2 GLY 77 HA2 GLY 77 -18.464 2.856 -2.246 537 HA3 GLY 77 HA1 GLY 77 -18.115 4.499 -2.770 538 H MET 78 HN MET 78 -15.255 3.800 -1.668 539 HA MET 78 HA MET 78 -14.366 2.667 -4.230 540 HB2 MET 78 HB2 MET 78 -12.862 4.365 -2.220 541 HB3 MET 78 HB1 MET 78 -12.148 3.671 -3.671 542 HG2 MET 78 HG2 MET 78 -14.400 5.676 -3.592 543 HG3 MET 78 HG1 MET 78 -12.718 6.014 -4.004 544 HE1 MET 78 HE1 MET 78 -15.142 6.866 -5.816 545 HE2 MET 78 HE2 MET 78 -14.580 6.407 -7.423 546 HE3 MET 78 HE3 MET 78 -13.468 7.162 -6.283 547 H LEU 79 HN LEU 79 -13.926 2.392 -0.723 548 HA LEU 79 HA LEU 79 -12.595 -0.193 -1.201 549 HB2 LEU 79 HB2 LEU 79 -11.319 1.704 -0.031 550 HB3 LEU 79 HB1 LEU 79 -12.427 1.467 1.309 551 HG LEU 79 HG LEU 79 -11.618 -0.877 1.510 552 HD11 LEU 79 HD11 LEU 79 -9.535 -1.493 0.386 553 HD12 LEU 79 HD12 LEU 79 -9.590 0.006 -0.537 554 HD13 LEU 79 HD13 LEU 79 -10.834 -1.217 -0.770 555 HD21 LEU 79 HD21 LEU 79 -9.360 -0.235 2.389 556 HD22 LEU 79 HD22 LEU 79 -10.703 0.744 2.977 557 HD23 LEU 79 HD23 LEU 79 -9.637 1.373 1.722 558 H PHE 80 HN PHE 80 -13.421 -1.984 -0.186 559 HA PHE 80 HA PHE 80 -15.525 -1.700 1.799 560 HB2 PHE 80 HB2 PHE 80 -17.063 -3.191 0.513 561 HB3 PHE 80 HB1 PHE 80 -16.818 -1.628 -0.250 562 HD1 PHE 80 HD1 PHE 80 -15.783 -1.447 -2.400 563 HD2 PHE 80 HD2 PHE 80 -16.047 -5.225 -0.449 564 HE1 PHE 80 HE1 PHE 80 -15.167 -2.572 -4.491 565 HE2 PHE 80 HE2 PHE 80 -15.432 -6.348 -2.545 566 HZ PHE 80 HZ PHE 80 -14.990 -5.023 -4.569 567 H ILE 81 HN ILE 81 -16.178 -3.923 2.624 568 HA ILE 81 HA ILE 81 -13.747 -5.465 2.973 569 HB ILE 81 HB ILE 81 -16.462 -5.739 4.252 570 HG12 ILE 81 HG12 ILE 81 -15.135 -3.755 4.928 571 HG13 ILE 81 HG11 ILE 81 -15.373 -4.891 6.249 572 HG21 ILE 81 HG21 ILE 81 -13.930 -7.289 4.747 573 HG22 ILE 81 HG22 ILE 81 -15.463 -7.921 4.144 574 HG23 ILE 81 HG23 ILE 81 -15.346 -7.321 5.798 575 HD11 ILE 81 HD11 ILE 81 -12.877 -4.527 4.621 576 HD12 ILE 81 HD12 ILE 81 -13.106 -5.768 5.851 577 HD13 ILE 81 HD13 ILE 81 -13.132 -4.063 6.301 578 H SER 82 HN SER 82 -13.278 -7.229 1.912 579 HA SER 82 HA SER 82 -14.957 -8.335 -0.085 580 HB2 SER 82 HB2 SER 82 -12.585 -8.487 -0.376 581 HB3 SER 82 HB1 SER 82 -12.378 -9.276 1.185 582 HG SER 82 HG SER 82 -13.492 -10.318 -1.200 583 H LYS 83 HN LYS 83 -16.552 -9.771 0.142 584 HA LYS 83 HA LYS 83 -17.135 -10.965 2.669 585 HB2 LYS 83 HB2 LYS 83 -18.297 -11.456 -0.074 586 HB3 LYS 83 HB1 LYS 83 -18.925 -12.156 1.412 587 HG2 LYS 83 HG2 LYS 83 -19.441 -9.948 2.268 588 HG3 LYS 83 HG1 LYS 83 -18.748 -9.210 0.823 589 HD2 LYS 83 HD2 LYS 83 -20.436 -10.343 -0.550 590 HD3 LYS 83 HD1 LYS 83 -21.136 -11.052 0.905 591 HE2 LYS 83 HE2 LYS 83 -21.690 -8.845 1.744 592 HE3 LYS 83 HE1 LYS 83 -20.912 -8.095 0.350 593 HZ1 LYS 83 HZ1 LYS 83 -22.546 -9.203 -1.074 594 HZ2 LYS 83 HZ2 LYS 83 -23.281 -8.162 0.035 595 HZ3 LYS 83 HZ3 LYS 83 -23.320 -9.832 0.292 596 H LEU 84 HN LEU 84 -15.157 -11.784 0.046 597 HA LEU 84 HA LEU 84 -15.195 -14.631 0.529 598 HB2 LEU 84 HB2 LEU 84 -13.511 -12.927 -1.291 599 HB3 LEU 84 HB1 LEU 84 -13.452 -14.677 -1.237 600 HG LEU 84 HG LEU 84 -15.883 -13.054 -2.005 601 HD11 LEU 84 HD11 LEU 84 -13.975 -14.623 -3.729 602 HD12 LEU 84 HD12 LEU 84 -14.100 -12.866 -3.661 603 HD13 LEU 84 HD13 LEU 84 -15.449 -13.822 -4.272 604 HD21 LEU 84 HD21 LEU 84 -16.754 -15.233 -2.778 605 HD22 LEU 84 HD22 LEU 84 -16.516 -15.170 -1.033 606 HD23 LEU 84 HD23 LEU 84 -15.356 -16.022 -2.051 607 H ASP 85 HN ASP 85 -12.756 -12.028 0.755 608 HA ASP 85 HA ASP 85 -11.066 -13.866 2.300 609 HB2 ASP 85 HB2 ASP 85 -10.473 -11.439 0.667 610 HB3 ASP 85 HB1 ASP 85 -9.382 -11.869 1.976 611 H GLY 86 HN GLY 86 -13.054 -11.131 2.748 612 HA2 GLY 86 HA2 GLY 86 -13.565 -10.006 4.706 613 HA3 GLY 86 HA1 GLY 86 -12.324 -10.939 5.530 614 H ARG 87 HN ARG 87 -10.887 -9.775 2.866 615 HA ARG 87 HA ARG 87 -9.383 -7.814 4.318 616 HB2 ARG 87 HB2 ARG 87 -9.329 -8.727 1.443 617 HB3 ARG 87 HB1 ARG 87 -8.247 -7.504 2.080 618 HG2 ARG 87 HG2 ARG 87 -7.387 -9.172 3.698 619 HG3 ARG 87 HG1 ARG 87 -8.401 -10.389 2.916 620 HD2 ARG 87 HD2 ARG 87 -7.256 -9.892 0.774 621 HD3 ARG 87 HD1 ARG 87 -6.192 -8.784 1.637 622 HE ARG 87 HE ARG 87 -6.217 -11.463 2.698 623 HH11 ARG 87 HH11 ARG 87 -4.711 -9.256 0.432 624 HH12 ARG 87 HH12 ARG 87 -3.283 -10.223 0.251 625 HH21 ARG 87 HH21 ARG 87 -4.323 -12.731 2.469 626 HH22 ARG 87 HH22 ARG 87 -3.057 -12.191 1.409 627 H LEU 88 HN LEU 88 -9.232 -5.610 3.890 628 HA LEU 88 HA LEU 88 -11.461 -4.250 2.749 629 HB2 LEU 88 HB2 LEU 88 -8.657 -3.345 3.419 630 HB3 LEU 88 HB1 LEU 88 -9.905 -2.270 2.834 631 HG LEU 88 HG LEU 88 -10.478 -3.876 5.272 632 HD11 LEU 88 HD11 LEU 88 -8.222 -2.987 5.654 633 HD12 LEU 88 HD12 LEU 88 -9.417 -2.187 6.676 634 HD13 LEU 88 HD13 LEU 88 -8.795 -1.372 5.241 635 HD21 LEU 88 HD21 LEU 88 -11.133 -1.059 4.406 636 HD22 LEU 88 HD22 LEU 88 -11.739 -1.865 5.855 637 HD23 LEU 88 HD23 LEU 88 -12.200 -2.456 4.259 638 H SER 89 HN SER 89 -11.902 -4.282 0.631 639 HA SER 89 HA SER 89 -9.639 -4.513 -1.240 640 HB2 SER 89 HB2 SER 89 -10.964 -6.611 -1.004 641 HB3 SER 89 HB1 SER 89 -12.392 -5.738 -1.561 642 HG SER 89 HG SER 89 -10.296 -6.765 -2.982 643 H CYS 90 HN CYS 90 -9.608 -3.161 -2.944 644 HA CYS 90 HA CYS 90 -11.496 -0.972 -2.927 645 HB2 CYS 90 HB2 CYS 90 -9.992 0.139 -4.444 646 HB3 CYS 90 HB1 CYS 90 -9.017 -0.621 -3.186 647 H THR 91 HN THR 91 -12.461 -0.178 -4.932 648 HA THR 91 HA THR 91 -13.998 -2.217 -6.159 649 HB THR 91 HB THR 91 -14.831 -0.259 -7.580 650 HG1 THR 91 HG1 THR 91 -14.064 1.673 -5.952 651 HG21 THR 91 HG21 THR 91 -16.050 -1.050 -5.650 652 HG22 THR 91 HG22 THR 91 -16.063 0.713 -5.671 653 HG23 THR 91 HG23 THR 91 -14.987 -0.147 -4.572 654 H GLU 92 HN GLU 92 -10.907 -1.343 -6.829 655 HA GLU 92 HA GLU 92 -11.036 -1.458 -9.706 656 HB2 GLU 92 HB2 GLU 92 -8.646 -1.601 -7.857 657 HB3 GLU 92 HB1 GLU 92 -8.589 -1.374 -9.599 658 HG2 GLU 92 HG2 GLU 92 -9.904 0.539 -7.685 659 HG3 GLU 92 HG1 GLU 92 -8.256 0.703 -8.279 660 H HIS 93 HN HIS 93 -11.186 -3.695 -7.228 661 HA HIS 93 HA HIS 93 -10.069 -5.846 -8.899 662 HB2 HIS 93 HB2 HIS 93 -10.843 -6.006 -5.977 663 HB3 HIS 93 HB1 HIS 93 -9.952 -7.206 -6.899 664 HD1 HIS 93 HD1 HIS 93 -8.056 -4.757 -8.134 665 HD2 HIS 93 HD2 HIS 93 -8.722 -5.889 -4.193 666 HE1 HIS 93 HE1 HIS 93 -6.102 -3.863 -6.794 667 H ASP 94 HN ASP 94 -11.659 -6.660 -10.162 668 HA ASP 94 HA ASP 94 -14.313 -7.026 -8.968 669 HB2 ASP 94 HB2 ASP 94 -13.407 -7.053 -11.851 670 HB3 ASP 94 HB1 ASP 94 -15.020 -7.535 -11.343 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 18.117 -8.197 10.870 2 H2 GLY 1 HT2 GLY 1 17.600 -7.977 9.275 3 H3 GLY 1 HT3 GLY 1 17.377 -9.469 10.037 4 HA2 GLY 1 HA1 GLY 1 15.297 -8.268 9.956 5 HA3 GLY 1 HA2 GLY 1 15.845 -8.471 11.614 6 H ALA 2 HN ALA 2 14.119 -6.415 10.243 7 HA ALA 2 HA ALA 2 15.563 -4.064 11.246 8 HB1 ALA 2 HB1 ALA 2 14.827 -2.730 9.347 9 HB2 ALA 2 HB2 ALA 2 14.056 -4.147 8.635 10 HB3 ALA 2 HB3 ALA 2 15.809 -4.092 8.809 11 H MET 3 HN MET 3 13.991 -4.997 12.962 12 HA MET 3 HA MET 3 12.224 -4.589 14.322 13 HB2 MET 3 HB2 MET 3 12.531 -2.213 13.735 14 HB3 MET 3 HB1 MET 3 11.485 -2.427 12.341 15 HG2 MET 3 HG2 MET 3 10.255 -1.381 14.111 16 HG3 MET 3 HG1 MET 3 9.632 -3.008 13.852 17 HE1 MET 3 HE1 MET 3 11.878 -0.724 16.065 18 HE2 MET 3 HE2 MET 3 12.983 -2.063 15.751 19 HE3 MET 3 HE3 MET 3 12.353 -1.803 17.376 20 H GLU 4 HN GLU 4 10.607 -3.719 11.300 21 HA GLU 4 HA GLU 4 9.297 -6.311 11.160 22 HB2 GLU 4 HB2 GLU 4 7.750 -3.722 11.371 23 HB3 GLU 4 HB1 GLU 4 7.053 -5.277 10.961 24 HG2 GLU 4 HG2 GLU 4 7.621 -6.131 13.152 25 HG3 GLU 4 HG1 GLU 4 8.397 -4.603 13.561 26 H ARG 5 HN ARG 5 9.939 -6.824 9.158 27 HA ARG 5 HA ARG 5 9.294 -5.012 6.968 28 HB2 ARG 5 HB2 ARG 5 11.608 -4.462 7.593 29 HB3 ARG 5 HB1 ARG 5 12.060 -6.151 7.430 30 HG2 ARG 5 HG2 ARG 5 11.574 -6.062 5.044 31 HG3 ARG 5 HG1 ARG 5 11.086 -4.373 5.202 32 HD2 ARG 5 HD2 ARG 5 13.827 -5.452 5.846 33 HD3 ARG 5 HD1 ARG 5 13.387 -4.639 4.348 34 HE ARG 5 HE ARG 5 12.735 -3.011 6.565 35 HH11 ARG 5 HH11 ARG 5 15.489 -4.160 4.734 36 HH12 ARG 5 HH12 ARG 5 16.469 -2.776 5.091 37 HH21 ARG 5 HH21 ARG 5 14.013 -1.181 7.030 38 HH22 ARG 5 HH22 ARG 5 15.627 -1.074 6.394 39 H GLU 6 HN GLU 6 8.346 -6.127 5.392 40 HA GLU 6 HA GLU 6 8.306 -9.008 5.464 41 HB2 GLU 6 HB2 GLU 6 6.341 -7.457 4.926 42 HB3 GLU 6 HB1 GLU 6 7.088 -7.236 3.350 43 HG2 GLU 6 HG2 GLU 6 6.874 -9.584 2.868 44 HG3 GLU 6 HG1 GLU 6 6.259 -9.894 4.490 45 H ASP 7 HN ASP 7 8.781 -10.320 3.527 46 HA ASP 7 HA ASP 7 11.158 -9.255 2.156 47 HB2 ASP 7 HB2 ASP 7 10.425 -12.044 3.005 48 HB3 ASP 7 HB1 ASP 7 11.620 -11.767 1.746 49 H GLU 8 HN GLU 8 8.427 -8.841 1.246 50 HA GLU 8 HA GLU 8 8.777 -9.766 -1.471 51 HB2 GLU 8 HB2 GLU 8 7.556 -11.616 -0.350 52 HB3 GLU 8 HB1 GLU 8 6.293 -10.481 0.101 53 HG2 GLU 8 HG2 GLU 8 5.813 -10.084 -2.262 54 HG3 GLU 8 HG1 GLU 8 7.069 -11.238 -2.707 55 H CYS 9 HN CYS 9 7.551 -8.548 -2.977 56 HA CYS 9 HA CYS 9 6.908 -5.898 -2.010 57 HB2 CYS 9 HB2 CYS 9 8.145 -6.087 -4.093 58 HB3 CYS 9 HB1 CYS 9 6.895 -7.123 -4.775 59 H PHE 10 HN PHE 10 4.929 -5.314 -1.411 60 HA PHE 10 HA PHE 10 2.687 -7.044 -1.765 61 HB2 PHE 10 HB2 PHE 10 3.000 -5.608 0.229 62 HB3 PHE 10 HB1 PHE 10 2.767 -4.182 -0.776 63 HD1 PHE 10 HD1 PHE 10 0.673 -3.235 -0.841 64 HD2 PHE 10 HD2 PHE 10 1.042 -7.377 0.080 65 HE1 PHE 10 HE1 PHE 10 -1.753 -3.364 -0.456 66 HE2 PHE 10 HE2 PHE 10 -1.381 -7.507 0.465 67 HZ PHE 10 HZ PHE 10 -2.772 -5.486 0.243 68 H SER 11 HN SER 11 4.068 -4.565 -3.666 69 HA SER 11 HA SER 11 1.678 -3.816 -5.059 70 HB2 SER 11 HB2 SER 11 4.542 -3.466 -5.966 71 HB3 SER 11 HB1 SER 11 3.132 -2.568 -6.526 72 HG SER 11 HG SER 11 3.870 -1.234 -5.034 73 H CYS 12 HN CYS 12 4.144 -6.283 -5.455 74 HA CYS 12 HA CYS 12 2.978 -6.970 -8.077 75 HB2 CYS 12 HB2 CYS 12 5.832 -7.398 -7.189 76 HB3 CYS 12 HB1 CYS 12 5.170 -7.735 -8.789 77 H GLY 13 HN GLY 13 4.001 -8.189 -4.972 78 HA2 GLY 13 HA2 GLY 13 3.551 -10.287 -4.050 79 HA3 GLY 13 HA1 GLY 13 2.975 -10.828 -5.624 80 H ASP 14 HN ASP 14 5.926 -9.243 -5.832 81 HA ASP 14 HA ASP 14 7.376 -11.799 -5.936 82 HB2 ASP 14 HB2 ASP 14 7.619 -9.377 -7.722 83 HB3 ASP 14 HB1 ASP 14 8.801 -10.678 -7.702 84 H ALA 15 HN ALA 15 9.696 -11.646 -5.557 85 HA ALA 15 HA ALA 15 10.382 -9.409 -3.772 86 HB1 ALA 15 HB1 ALA 15 10.193 -11.516 -2.571 87 HB2 ALA 15 HB2 ALA 15 11.856 -10.932 -2.579 88 HB3 ALA 15 HB3 ALA 15 11.378 -12.247 -3.653 89 H GLY 16 HN GLY 16 12.661 -8.805 -3.740 90 HA2 GLY 16 HA2 GLY 16 14.731 -9.507 -5.271 91 HA3 GLY 16 HA1 GLY 16 13.690 -8.716 -6.447 92 H GLN 17 HN GLN 17 14.004 -6.622 -6.727 93 HA GLN 17 HA GLN 17 15.810 -5.148 -5.042 94 HB2 GLN 17 HB2 GLN 17 15.754 -4.899 -7.506 95 HB3 GLN 17 HB1 GLN 17 14.133 -4.232 -7.387 96 HG2 GLN 17 HG2 GLN 17 15.069 -2.386 -6.007 97 HG3 GLN 17 HG1 GLN 17 16.678 -3.023 -6.344 98 HE21 GLN 17 HE21 GLN 17 15.526 -0.441 -7.045 99 HE22 GLN 17 HE22 GLN 17 15.622 -0.318 -8.767 100 H LEU 18 HN LEU 18 14.548 -5.236 -3.049 101 HA LEU 18 HA LEU 18 12.051 -3.726 -3.093 102 HB2 LEU 18 HB2 LEU 18 13.225 -5.495 -0.952 103 HB3 LEU 18 HB1 LEU 18 11.678 -4.677 -0.849 104 HG LEU 18 HG LEU 18 12.319 -6.716 -2.968 105 HD11 LEU 18 HD11 LEU 18 12.437 -7.804 -0.816 106 HD12 LEU 18 HD12 LEU 18 10.945 -8.261 -1.639 107 HD13 LEU 18 HD13 LEU 18 10.906 -7.075 -0.338 108 HD21 LEU 18 HD21 LEU 18 9.892 -6.782 -3.222 109 HD22 LEU 18 HD22 LEU 18 10.547 -5.180 -3.554 110 HD23 LEU 18 HD23 LEU 18 9.740 -5.502 -2.022 111 H VAL 19 HN VAL 19 11.674 -1.965 -1.923 112 HA VAL 19 HA VAL 19 13.758 -0.936 -0.125 113 HB VAL 19 HB VAL 19 13.703 0.512 -2.070 114 HG11 VAL 19 HG11 VAL 19 10.743 0.760 -1.586 115 HG12 VAL 19 HG12 VAL 19 11.528 -0.015 -2.962 116 HG13 VAL 19 HG13 VAL 19 11.671 1.727 -2.733 117 HG21 VAL 19 HG21 VAL 19 13.130 2.652 -1.020 118 HG22 VAL 19 HG22 VAL 19 14.026 1.600 0.074 119 HG23 VAL 19 HG23 VAL 19 12.282 1.788 0.264 120 H SER 20 HN SER 20 13.049 -0.540 1.917 121 HA SER 20 HA SER 20 10.255 -1.234 2.402 122 HB2 SER 20 HB2 SER 20 12.017 -2.567 3.518 123 HB3 SER 20 HB1 SER 20 12.549 -1.119 4.367 124 HG SER 20 HG SER 20 9.934 -2.223 4.532 125 H CYS 21 HN CYS 21 8.948 -0.124 3.799 126 HA CYS 21 HA CYS 21 9.247 2.735 3.799 127 HB2 CYS 21 HB2 CYS 21 7.078 1.398 3.538 128 HB3 CYS 21 HB1 CYS 21 7.185 1.089 5.268 129 H LYS 22 HN LYS 22 10.499 3.723 5.286 130 HA LYS 22 HA LYS 22 11.298 2.302 7.667 131 HB2 LYS 22 HB2 LYS 22 12.076 5.030 6.624 132 HB3 LYS 22 HB1 LYS 22 12.812 4.231 8.010 133 HG2 LYS 22 HG2 LYS 22 13.612 2.438 6.592 134 HG3 LYS 22 HG1 LYS 22 12.811 3.159 5.195 135 HD2 LYS 22 HD2 LYS 22 14.236 5.138 5.404 136 HD3 LYS 22 HD1 LYS 22 15.036 4.415 6.800 137 HE2 LYS 22 HE2 LYS 22 16.366 4.133 4.768 138 HE3 LYS 22 HE1 LYS 22 15.835 2.579 5.409 139 HZ1 LYS 22 HZ1 LYS 22 15.613 2.797 2.970 140 HZ2 LYS 22 HZ2 LYS 22 14.466 4.017 3.202 141 HZ3 LYS 22 HZ3 LYS 22 14.152 2.444 3.744 142 H LYS 23 HN LYS 23 8.584 2.931 7.605 143 HA LYS 23 HA LYS 23 8.314 5.007 9.671 144 HB2 LYS 23 HB2 LYS 23 7.052 5.309 7.495 145 HB3 LYS 23 HB1 LYS 23 6.136 3.870 7.912 146 HG2 LYS 23 HG2 LYS 23 5.364 4.994 9.972 147 HG3 LYS 23 HG1 LYS 23 6.213 6.451 9.458 148 HD2 LYS 23 HD2 LYS 23 4.836 6.394 7.357 149 HD3 LYS 23 HD1 LYS 23 3.889 5.099 8.097 150 HE2 LYS 23 HE2 LYS 23 2.741 7.174 8.458 151 HE3 LYS 23 HE1 LYS 23 3.405 6.630 9.999 152 HZ1 LYS 23 HZ1 LYS 23 4.668 8.648 8.224 153 HZ2 LYS 23 HZ2 LYS 23 5.216 8.171 9.756 154 HZ3 LYS 23 HZ3 LYS 23 3.756 9.007 9.607 155 HA PRO 24 HA PRO 24 7.589 1.521 12.446 156 HB2 PRO 24 HB2 PRO 24 6.362 3.716 14.045 157 HB3 PRO 24 HB1 PRO 24 7.545 2.497 14.534 158 HG2 PRO 24 HG2 PRO 24 8.301 5.005 14.105 159 HG3 PRO 24 HG1 PRO 24 9.322 3.649 13.591 160 HD2 PRO 24 HD2 PRO 24 7.553 5.420 11.944 161 HD3 PRO 24 HD1 PRO 24 9.142 4.730 11.549 162 H GLY 25 HN GLY 25 5.879 0.182 12.432 163 HA2 GLY 25 HA2 GLY 25 3.559 -0.297 12.757 164 HA3 GLY 25 HA1 GLY 25 3.183 1.335 12.208 165 H CYS 26 HN CYS 26 5.354 0.674 10.043 166 HA CYS 26 HA CYS 26 3.468 -0.653 8.204 167 HB2 CYS 26 HB2 CYS 26 4.255 1.808 7.904 168 HB3 CYS 26 HB1 CYS 26 5.777 1.092 7.387 169 HA PRO 27 HA PRO 27 6.953 -3.567 8.228 170 HB2 PRO 27 HB2 PRO 27 5.528 -5.817 8.156 171 HB3 PRO 27 HB1 PRO 27 5.538 -4.818 9.617 172 HG2 PRO 27 HG2 PRO 27 3.436 -5.094 7.515 173 HG3 PRO 27 HG1 PRO 27 3.253 -4.869 9.268 174 HD2 PRO 27 HD2 PRO 27 3.109 -2.854 7.287 175 HD3 PRO 27 HD1 PRO 27 3.219 -2.608 9.044 176 H LYS 28 HN LYS 28 5.391 -2.318 5.803 177 HA LYS 28 HA LYS 28 5.437 -4.576 3.959 178 HB2 LYS 28 HB2 LYS 28 3.786 -2.283 4.255 179 HB3 LYS 28 HB1 LYS 28 4.580 -2.160 2.682 180 HG2 LYS 28 HG2 LYS 28 2.389 -3.309 2.587 181 HG3 LYS 28 HG1 LYS 28 3.727 -4.311 2.020 182 HD2 LYS 28 HD2 LYS 28 3.774 -5.520 4.109 183 HD3 LYS 28 HD1 LYS 28 2.568 -4.436 4.804 184 HE2 LYS 28 HE2 LYS 28 0.887 -5.241 3.322 185 HE3 LYS 28 HE1 LYS 28 2.069 -6.147 2.379 186 HZ1 LYS 28 HZ1 LYS 28 2.442 -7.600 4.235 187 HZ2 LYS 28 HZ2 LYS 28 0.781 -7.545 3.911 188 HZ3 LYS 28 HZ3 LYS 28 1.412 -6.686 5.222 189 H VAL 29 HN VAL 29 6.355 -4.396 1.850 190 HA VAL 29 HA VAL 29 8.488 -2.436 1.522 191 HB VAL 29 HB VAL 29 9.352 -4.543 2.687 192 HG11 VAL 29 HG11 VAL 29 9.867 -6.451 1.267 193 HG12 VAL 29 HG12 VAL 29 8.972 -5.704 -0.056 194 HG13 VAL 29 HG13 VAL 29 8.128 -6.194 1.411 195 HG21 VAL 29 HG21 VAL 29 11.383 -4.642 1.245 196 HG22 VAL 29 HG22 VAL 29 10.903 -3.035 1.776 197 HG23 VAL 29 HG23 VAL 29 10.554 -3.557 0.131 198 H TYR 30 HN TYR 30 9.132 -2.194 -0.692 199 HA TYR 30 HA TYR 30 7.470 -3.562 -2.689 200 HB2 TYR 30 HB2 TYR 30 7.714 -0.554 -2.697 201 HB3 TYR 30 HB1 TYR 30 6.605 -1.556 -3.626 202 HD1 TYR 30 HD1 TYR 30 4.614 -2.535 -2.537 203 HD2 TYR 30 HD2 TYR 30 7.180 0.157 -0.470 204 HE1 TYR 30 HE1 TYR 30 2.868 -2.176 -0.849 205 HE2 TYR 30 HE2 TYR 30 5.438 0.516 1.229 206 HH TYR 30 HH TYR 30 2.742 -1.442 1.546 207 H HIS 31 HN HIS 31 8.239 -2.982 -4.934 208 HA HIS 31 HA HIS 31 11.127 -2.677 -5.005 209 HB2 HIS 31 HB2 HIS 31 9.205 -2.833 -7.346 210 HB3 HIS 31 HB1 HIS 31 10.957 -3.003 -7.414 211 HD2 HIS 31 HD2 HIS 31 11.742 -5.347 -5.683 212 HE1 HIS 31 HE1 HIS 31 8.295 -7.382 -7.053 213 HE2 HIS 31 HE2 HIS 31 10.671 -7.661 -6.195 214 H ALA 32 HN ALA 32 12.170 -0.842 -5.549 215 HA ALA 32 HA ALA 32 10.864 1.634 -5.505 216 HB1 ALA 32 HB1 ALA 32 13.012 2.575 -6.205 217 HB2 ALA 32 HB2 ALA 32 13.588 0.958 -6.608 218 HB3 ALA 32 HB3 ALA 32 13.223 1.372 -4.933 219 H ASP 33 HN ASP 33 11.664 -0.566 -8.055 220 HA ASP 33 HA ASP 33 11.364 1.199 -10.233 221 HB2 ASP 33 HB2 ASP 33 12.561 -0.950 -10.399 222 HB3 ASP 33 HB1 ASP 33 11.034 -1.804 -10.200 223 H CYS 34 HN CYS 34 9.071 -1.089 -8.720 224 HA CYS 34 HA CYS 34 7.038 -0.526 -10.644 225 HB2 CYS 34 HB2 CYS 34 5.540 -1.765 -8.996 226 HB3 CYS 34 HB1 CYS 34 6.910 -2.673 -9.623 227 H LEU 35 HN LEU 35 8.017 0.920 -7.665 228 HA LEU 35 HA LEU 35 5.589 2.459 -7.368 229 HB2 LEU 35 HB2 LEU 35 8.283 2.746 -6.051 230 HB3 LEU 35 HB1 LEU 35 6.852 3.653 -5.614 231 HG LEU 35 HG LEU 35 7.160 0.664 -5.355 232 HD11 LEU 35 HD11 LEU 35 8.583 1.727 -3.781 233 HD12 LEU 35 HD12 LEU 35 7.126 1.235 -2.912 234 HD13 LEU 35 HD13 LEU 35 7.349 2.919 -3.381 235 HD21 LEU 35 HD21 LEU 35 4.965 2.535 -4.477 236 HD22 LEU 35 HD22 LEU 35 5.091 0.836 -4.025 237 HD23 LEU 35 HD23 LEU 35 4.844 1.284 -5.713 238 H ASN 36 HN ASN 36 8.170 2.566 -9.415 239 HA ASN 36 HA ASN 36 9.045 4.056 -10.870 240 HB2 ASN 36 HB2 ASN 36 6.529 4.416 -11.250 241 HB3 ASN 36 HB1 ASN 36 6.710 5.868 -10.275 242 HD21 ASN 36 HD21 ASN 36 7.553 4.300 -13.263 243 HD22 ASN 36 HD22 ASN 36 8.068 5.723 -14.098 244 H LEU 37 HN LEU 37 10.012 4.132 -8.274 245 HA LEU 37 HA LEU 37 10.219 6.843 -7.365 246 HB2 LEU 37 HB2 LEU 37 11.781 4.368 -6.645 247 HB3 LEU 37 HB1 LEU 37 12.018 5.925 -5.879 248 HG LEU 37 HG LEU 37 9.511 4.247 -5.775 249 HD11 LEU 37 HD11 LEU 37 11.383 3.430 -4.395 250 HD12 LEU 37 HD12 LEU 37 10.023 3.999 -3.427 251 HD13 LEU 37 HD13 LEU 37 11.459 5.004 -3.607 252 HD21 LEU 37 HD21 LEU 37 10.101 6.918 -4.507 253 HD22 LEU 37 HD22 LEU 37 8.670 5.931 -4.215 254 HD23 LEU 37 HD23 LEU 37 8.953 6.618 -5.813 255 H THR 38 HN THR 38 11.063 8.128 -8.955 256 HA THR 38 HA THR 38 13.385 7.486 -10.452 257 HB THR 38 HB THR 38 12.335 10.258 -9.867 258 HG1 THR 38 HG1 THR 38 11.335 8.184 -11.494 259 HG21 THR 38 HG21 THR 38 14.507 10.139 -11.011 260 HG22 THR 38 HG22 THR 38 13.251 10.786 -12.065 261 HG23 THR 38 HG23 THR 38 13.789 9.117 -12.257 262 H LYS 39 HN LYS 39 12.802 9.399 -7.541 263 HA LYS 39 HA LYS 39 15.706 9.569 -7.102 264 HB2 LYS 39 HB2 LYS 39 13.488 11.321 -6.013 265 HB3 LYS 39 HB1 LYS 39 15.190 11.481 -5.607 266 HG2 LYS 39 HG2 LYS 39 14.124 11.743 -8.409 267 HG3 LYS 39 HG1 LYS 39 14.347 13.106 -7.310 268 HD2 LYS 39 HD2 LYS 39 16.731 12.572 -7.141 269 HD3 LYS 39 HD1 LYS 39 16.503 11.207 -8.235 270 HE2 LYS 39 HE2 LYS 39 15.824 12.720 -10.014 271 HE3 LYS 39 HE1 LYS 39 15.980 14.097 -8.924 272 HZ1 LYS 39 HZ1 LYS 39 17.904 13.811 -10.398 273 HZ2 LYS 39 HZ2 LYS 39 18.213 12.302 -9.699 274 HZ3 LYS 39 HZ3 LYS 39 18.330 13.707 -8.764 275 H ARG 40 HN ARG 40 16.468 8.286 -5.546 276 HA ARG 40 HA ARG 40 14.794 6.728 -3.891 277 HB2 ARG 40 HB2 ARG 40 17.016 5.965 -4.534 278 HB3 ARG 40 HB1 ARG 40 17.752 7.309 -3.675 279 HG2 ARG 40 HG2 ARG 40 17.029 6.426 -1.561 280 HG3 ARG 40 HG1 ARG 40 16.120 5.145 -2.365 281 HD2 ARG 40 HD2 ARG 40 19.106 5.510 -2.561 282 HD3 ARG 40 HD1 ARG 40 18.304 4.391 -1.459 283 HE ARG 40 HE ARG 40 17.318 3.721 -3.903 284 HH11 ARG 40 HH11 ARG 40 20.552 4.075 -2.619 285 HH12 ARG 40 HH12 ARG 40 21.234 2.853 -3.646 286 HH21 ARG 40 HH21 ARG 40 18.203 2.103 -5.246 287 HH22 ARG 40 HH22 ARG 40 19.894 1.730 -5.138 288 HA PRO 41 HA PRO 41 13.912 9.948 -0.930 289 HB2 PRO 41 HB2 PRO 41 12.491 8.404 0.799 290 HB3 PRO 41 HB1 PRO 41 11.824 9.021 -0.715 291 HG2 PRO 41 HG2 PRO 41 12.960 6.318 -0.105 292 HG3 PRO 41 HG1 PRO 41 11.488 6.737 -1.008 293 HD2 PRO 41 HD2 PRO 41 13.782 6.078 -2.262 294 HD3 PRO 41 HD1 PRO 41 12.672 7.295 -2.929 295 H ALA 42 HN ALA 42 14.875 10.662 0.893 296 HA ALA 42 HA ALA 42 16.514 8.740 2.410 297 HB1 ALA 42 HB1 ALA 42 17.117 11.639 1.827 298 HB2 ALA 42 HB2 ALA 42 17.906 10.245 1.088 299 HB3 ALA 42 HB3 ALA 42 18.104 10.559 2.811 300 H GLY 43 HN GLY 43 16.131 8.639 4.556 301 HA2 GLY 43 HA2 GLY 43 15.653 9.549 6.683 302 HA3 GLY 43 HA1 GLY 43 14.911 10.934 5.898 303 H LYS 44 HN LYS 44 12.915 10.979 6.695 304 HA LYS 44 HA LYS 44 11.399 8.572 7.138 305 HB2 LYS 44 HB2 LYS 44 10.543 11.468 7.291 306 HB3 LYS 44 HB1 LYS 44 9.619 10.091 7.873 307 HG2 LYS 44 HG2 LYS 44 11.369 9.604 9.505 308 HG3 LYS 44 HG1 LYS 44 12.292 10.994 8.927 309 HD2 LYS 44 HD2 LYS 44 10.441 12.475 9.563 310 HD3 LYS 44 HD1 LYS 44 9.537 11.083 10.157 311 HE2 LYS 44 HE2 LYS 44 12.176 12.088 11.216 312 HE3 LYS 44 HE1 LYS 44 10.605 12.260 11.997 313 HZ1 LYS 44 HZ1 LYS 44 10.480 9.836 12.150 314 HZ2 LYS 44 HZ2 LYS 44 11.830 10.440 12.965 315 HZ3 LYS 44 HZ3 LYS 44 12.017 9.703 11.455 316 H TRP 45 HN TRP 45 10.558 7.533 5.471 317 HA TRP 45 HA TRP 45 9.488 9.098 3.241 318 HB2 TRP 45 HB2 TRP 45 11.325 7.718 2.508 319 HB3 TRP 45 HB1 TRP 45 10.619 6.301 3.277 320 HD1 TRP 45 HD1 TRP 45 9.348 8.847 0.617 321 HE1 TRP 45 HE1 TRP 45 8.229 7.519 -1.273 322 HE3 TRP 45 HE3 TRP 45 10.036 4.117 2.435 323 HZ2 TRP 45 HZ2 TRP 45 7.710 4.824 -1.916 324 HZ3 TRP 45 HZ3 TRP 45 9.200 2.215 1.112 325 HH2 TRP 45 HH2 TRP 45 8.060 2.563 -1.015 326 H GLU 46 HN GLU 46 7.373 9.076 2.948 327 HA GLU 46 HA GLU 46 5.728 7.108 4.354 328 HB2 GLU 46 HB2 GLU 46 4.855 9.505 2.726 329 HB3 GLU 46 HB1 GLU 46 3.857 8.555 3.814 330 HG2 GLU 46 HG2 GLU 46 6.241 10.145 4.716 331 HG3 GLU 46 HG1 GLU 46 4.598 10.780 4.681 332 H CYS 47 HN CYS 47 5.635 5.218 3.164 333 HA CYS 47 HA CYS 47 5.680 5.014 0.378 334 HB2 CYS 47 HB2 CYS 47 4.932 2.761 0.618 335 HB3 CYS 47 HB1 CYS 47 5.923 3.097 2.030 336 HA PRO 48 HA PRO 48 1.810 6.556 -1.024 337 HB2 PRO 48 HB2 PRO 48 1.263 4.815 -3.083 338 HB3 PRO 48 HB1 PRO 48 2.408 6.161 -3.191 339 HG2 PRO 48 HG2 PRO 48 2.930 3.259 -2.691 340 HG3 PRO 48 HG1 PRO 48 3.825 4.401 -3.713 341 HD2 PRO 48 HD2 PRO 48 4.710 3.689 -1.276 342 HD3 PRO 48 HD1 PRO 48 4.946 5.333 -1.902 343 H TRP 49 HN TRP 49 2.071 3.542 0.413 344 HA TRP 49 HA TRP 49 -0.699 2.761 0.174 345 HB2 TRP 49 HB2 TRP 49 1.346 1.211 0.521 346 HB3 TRP 49 HB1 TRP 49 1.268 1.715 2.211 347 HD1 TRP 49 HD1 TRP 49 -1.726 0.752 -0.071 348 HE1 TRP 49 HE1 TRP 49 -2.948 -1.240 1.017 349 HE3 TRP 49 HE3 TRP 49 1.394 -0.039 3.912 350 HZ2 TRP 49 HZ2 TRP 49 -2.641 -2.900 3.273 351 HZ3 TRP 49 HZ3 TRP 49 0.852 -1.841 5.489 352 HH2 TRP 49 HH2 TRP 49 -1.122 -3.247 5.173 353 H HIS 50 HN HIS 50 0.985 5.068 1.931 354 HA HIS 50 HA HIS 50 -1.124 5.204 3.982 355 HB2 HIS 50 HB2 HIS 50 1.325 6.968 3.727 356 HB3 HIS 50 HB1 HIS 50 0.224 6.865 5.099 357 HD1 HIS 50 HD1 HIS 50 0.263 3.697 5.350 358 HD2 HIS 50 HD2 HIS 50 3.559 6.194 4.949 359 HE1 HIS 50 HE1 HIS 50 2.228 2.452 6.344 360 H GLN 51 HN GLN 51 -0.745 6.095 0.911 361 HA GLN 51 HA GLN 51 -1.803 8.808 1.302 362 HB2 GLN 51 HB2 GLN 51 -0.149 7.794 -1.017 363 HB3 GLN 51 HB1 GLN 51 -0.798 9.418 -0.850 364 HG2 GLN 51 HG2 GLN 51 1.121 8.188 1.101 365 HG3 GLN 51 HG1 GLN 51 1.618 9.169 -0.273 366 HE21 GLN 51 HE21 GLN 51 -0.037 9.185 2.820 367 HE22 GLN 51 HE22 GLN 51 0.052 10.894 3.061 368 H CYS 52 HN CYS 52 -3.639 9.339 0.356 369 HA CYS 52 HA CYS 52 -5.344 7.358 -0.694 370 HB2 CYS 52 HB2 CYS 52 -6.188 9.366 0.425 371 HB3 CYS 52 HB1 CYS 52 -5.524 10.374 -0.853 372 H ASP 53 HN ASP 53 -5.288 6.473 -2.620 373 HA ASP 53 HA ASP 53 -3.538 7.194 -4.671 374 HB2 ASP 53 HB2 ASP 53 -4.537 4.939 -4.400 375 HB3 ASP 53 HB1 ASP 53 -6.097 5.580 -4.908 376 H VAL 54 HN VAL 54 -6.604 8.481 -3.854 377 HA VAL 54 HA VAL 54 -7.128 9.508 -6.517 378 HB VAL 54 HB VAL 54 -8.694 9.912 -3.965 379 HG11 VAL 54 HG11 VAL 54 -10.504 10.626 -5.451 380 HG12 VAL 54 HG12 VAL 54 -9.410 10.499 -6.831 381 HG13 VAL 54 HG13 VAL 54 -9.098 11.687 -5.565 382 HG21 VAL 54 HG21 VAL 54 -8.668 7.574 -4.620 383 HG22 VAL 54 HG22 VAL 54 -9.141 8.013 -6.262 384 HG23 VAL 54 HG23 VAL 54 -10.257 8.279 -4.922 385 H CYS 55 HN CYS 55 -6.472 10.887 -3.254 386 HA CYS 55 HA CYS 55 -6.024 13.449 -4.639 387 HB2 CYS 55 HB2 CYS 55 -7.038 14.650 -2.831 388 HB3 CYS 55 HB1 CYS 55 -8.149 13.399 -3.381 389 H GLY 56 HN GLY 56 -4.373 11.153 -2.962 390 HA2 GLY 56 HA2 GLY 56 -2.178 11.248 -2.249 391 HA3 GLY 56 HA1 GLY 56 -2.207 12.983 -2.517 392 H LYS 57 HN LYS 57 -4.748 12.820 -0.609 393 HA LYS 57 HA LYS 57 -3.442 13.678 1.726 394 HB2 LYS 57 HB2 LYS 57 -6.248 12.698 1.243 395 HB3 LYS 57 HB1 LYS 57 -5.704 13.219 2.830 396 HG2 LYS 57 HG2 LYS 57 -5.150 15.433 1.851 397 HG3 LYS 57 HG1 LYS 57 -5.860 14.885 0.328 398 HD2 LYS 57 HD2 LYS 57 -8.001 14.552 1.404 399 HD3 LYS 57 HD1 LYS 57 -7.308 14.959 2.973 400 HE2 LYS 57 HE2 LYS 57 -6.808 17.226 2.117 401 HE3 LYS 57 HE1 LYS 57 -7.604 16.800 0.604 402 HZ1 LYS 57 HZ1 LYS 57 -8.887 16.864 3.281 403 HZ2 LYS 57 HZ2 LYS 57 -9.658 16.425 1.841 404 HZ3 LYS 57 HZ3 LYS 57 -9.097 18.008 2.054 405 H GLU 58 HN GLU 58 -3.581 12.654 3.888 406 HA GLU 58 HA GLU 58 -2.446 10.109 3.960 407 HB2 GLU 58 HB2 GLU 58 -2.204 11.675 5.820 408 HB3 GLU 58 HB1 GLU 58 -3.930 11.585 6.145 409 HG2 GLU 58 HG2 GLU 58 -3.713 9.229 6.722 410 HG3 GLU 58 HG1 GLU 58 -1.989 9.294 6.363 411 H ALA 59 HN ALA 59 -3.271 8.194 3.699 412 HA ALA 59 HA ALA 59 -6.071 7.825 3.275 413 HB1 ALA 59 HB1 ALA 59 -5.431 5.460 2.927 414 HB2 ALA 59 HB2 ALA 59 -3.774 5.883 3.367 415 HB3 ALA 59 HB3 ALA 59 -4.518 6.595 1.934 416 H ALA 60 HN ALA 60 -7.551 6.886 4.565 417 HA ALA 60 HA ALA 60 -6.749 6.349 7.331 418 HB1 ALA 60 HB1 ALA 60 -9.501 6.820 6.182 419 HB2 ALA 60 HB2 ALA 60 -8.503 8.026 6.997 420 HB3 ALA 60 HB3 ALA 60 -9.102 6.630 7.891 421 H SER 61 HN SER 61 -8.306 4.950 4.530 422 HA SER 61 HA SER 61 -8.201 2.343 5.875 423 HB2 SER 61 HB2 SER 61 -10.090 1.673 4.370 424 HB3 SER 61 HB1 SER 61 -10.523 2.928 5.526 425 HG SER 61 HG SER 61 -9.606 3.644 2.971 426 H PHE 62 HN PHE 62 -7.127 0.748 4.821 427 HA PHE 62 HA PHE 62 -5.748 1.575 2.346 428 HB2 PHE 62 HB2 PHE 62 -4.706 -0.502 4.266 429 HB3 PHE 62 HB1 PHE 62 -3.800 0.490 3.118 430 HD1 PHE 62 HD1 PHE 62 -4.428 0.010 6.494 431 HD2 PHE 62 HD2 PHE 62 -4.107 3.124 3.613 432 HE1 PHE 62 HE1 PHE 62 -3.884 1.605 8.282 433 HE2 PHE 62 HE2 PHE 62 -3.566 4.722 5.400 434 HZ PHE 62 HZ PHE 62 -3.518 3.932 7.784 435 H CYS 63 HN CYS 63 -5.891 0.230 0.569 436 HA CYS 63 HA CYS 63 -7.563 -2.076 0.683 437 HB2 CYS 63 HB2 CYS 63 -7.206 -0.677 -1.402 438 HB3 CYS 63 HB1 CYS 63 -5.615 -1.424 -1.537 439 H GLU 64 HN GLU 64 -7.051 -4.046 1.287 440 HA GLU 64 HA GLU 64 -4.298 -4.591 2.047 441 HB2 GLU 64 HB2 GLU 64 -6.847 -6.146 2.475 442 HB3 GLU 64 HB1 GLU 64 -5.278 -6.623 3.099 443 HG2 GLU 64 HG2 GLU 64 -5.191 -4.595 4.451 444 HG3 GLU 64 HG1 GLU 64 -6.748 -4.089 3.798 445 H MET 65 HN MET 65 -5.413 -4.600 -0.802 446 HA MET 65 HA MET 65 -4.176 -7.169 -1.531 447 HB2 MET 65 HB2 MET 65 -6.584 -5.901 -2.851 448 HB3 MET 65 HB1 MET 65 -5.720 -7.314 -3.460 449 HG2 MET 65 HG2 MET 65 -6.346 -8.592 -1.519 450 HG3 MET 65 HG1 MET 65 -7.101 -7.176 -0.787 451 HE1 MET 65 HE1 MET 65 -8.485 -10.086 -1.247 452 HE2 MET 65 HE2 MET 65 -10.106 -9.574 -1.719 453 HE3 MET 65 HE3 MET 65 -9.267 -8.749 -0.406 454 H CYS 66 HN CYS 66 -3.983 -3.835 -1.769 455 HA CYS 66 HA CYS 66 -1.905 -3.971 -3.702 456 HB2 CYS 66 HB2 CYS 66 -2.864 -2.768 -5.513 457 HB3 CYS 66 HB1 CYS 66 -4.040 -4.013 -5.115 458 HA PRO 67 HA PRO 67 -0.670 -0.296 -1.611 459 HB2 PRO 67 HB2 PRO 67 0.242 0.948 -4.123 460 HB3 PRO 67 HB1 PRO 67 1.185 0.426 -2.723 461 HG2 PRO 67 HG2 PRO 67 1.298 -0.911 -5.029 462 HG3 PRO 67 HG1 PRO 67 1.330 -1.759 -3.469 463 HD2 PRO 67 HD2 PRO 67 -0.993 -1.357 -5.347 464 HD3 PRO 67 HD1 PRO 67 -0.464 -2.844 -4.517 465 H SER 68 HN SER 68 -3.299 -0.150 -3.559 466 HA SER 68 HA SER 68 -3.520 2.744 -3.689 467 HB2 SER 68 HB2 SER 68 -5.519 0.598 -4.450 468 HB3 SER 68 HB1 SER 68 -5.690 2.324 -4.769 469 HG SER 68 HG SER 68 -3.319 1.253 -5.649 470 H SER 69 HN SER 69 -3.620 3.450 -1.603 471 HA SER 69 HA SER 69 -5.818 2.479 0.067 472 HB2 SER 69 HB2 SER 69 -4.659 4.010 1.785 473 HB3 SER 69 HB1 SER 69 -3.802 2.542 1.309 474 HG SER 69 HG SER 69 -3.357 4.988 -0.042 475 H PHE 70 HN PHE 70 -7.127 4.209 1.225 476 HA PHE 70 HA PHE 70 -7.493 6.553 -0.515 477 HB2 PHE 70 HB2 PHE 70 -9.713 4.737 0.454 478 HB3 PHE 70 HB1 PHE 70 -9.927 6.226 -0.469 479 HD1 PHE 70 HD1 PHE 70 -9.009 6.330 -2.813 480 HD2 PHE 70 HD2 PHE 70 -9.321 2.701 -0.614 481 HE1 PHE 70 HE1 PHE 70 -8.857 5.051 -4.909 482 HE2 PHE 70 HE2 PHE 70 -9.168 1.415 -2.706 483 HZ PHE 70 HZ PHE 70 -8.935 2.589 -4.856 484 H CYS 71 HN CYS 71 -8.405 8.358 0.455 485 HA CYS 71 HA CYS 71 -8.021 8.577 3.300 486 HB2 CYS 71 HB2 CYS 71 -8.493 10.920 3.011 487 HB3 CYS 71 HB1 CYS 71 -7.485 10.412 1.658 488 H LYS 72 HN LYS 72 -9.845 9.861 4.524 489 HA LYS 72 HA LYS 72 -12.066 8.182 4.772 490 HB2 LYS 72 HB2 LYS 72 -11.695 11.043 5.646 491 HB3 LYS 72 HB1 LYS 72 -13.042 10.026 6.140 492 HG2 LYS 72 HG2 LYS 72 -11.500 8.469 7.194 493 HG3 LYS 72 HG1 LYS 72 -10.137 9.453 6.670 494 HD2 LYS 72 HD2 LYS 72 -10.984 11.319 8.017 495 HD3 LYS 72 HD1 LYS 72 -12.325 10.305 8.556 496 HE2 LYS 72 HE2 LYS 72 -10.724 8.735 9.546 497 HE3 LYS 72 HE1 LYS 72 -9.395 9.769 9.024 498 HZ1 LYS 72 HZ1 LYS 72 -10.223 11.519 10.439 499 HZ2 LYS 72 HZ2 LYS 72 -9.981 10.117 11.352 500 HZ3 LYS 72 HZ3 LYS 72 -11.544 10.572 10.905 501 H GLN 73 HN GLN 73 -11.547 10.993 2.781 502 HA GLN 73 HA GLN 73 -14.270 11.421 2.064 503 HB2 GLN 73 HB2 GLN 73 -11.709 12.248 0.702 504 HB3 GLN 73 HB1 GLN 73 -13.305 12.819 0.243 505 HG2 GLN 73 HG2 GLN 73 -13.569 13.890 2.405 506 HG3 GLN 73 HG1 GLN 73 -12.007 13.256 2.928 507 HE21 GLN 73 HE21 GLN 73 -13.630 15.547 0.874 508 HE22 GLN 73 HE22 GLN 73 -12.241 16.522 0.532 509 H HIS 74 HN HIS 74 -11.577 9.665 0.588 510 HA HIS 74 HA HIS 74 -13.343 8.971 -1.650 511 HB2 HIS 74 HB2 HIS 74 -10.322 8.962 -1.472 512 HB3 HIS 74 HB1 HIS 74 -11.248 8.446 -2.887 513 HD2 HIS 74 HD2 HIS 74 -13.359 10.846 -3.088 514 HE1 HIS 74 HE1 HIS 74 -9.963 13.360 -3.068 515 HE2 HIS 74 HE2 HIS 74 -12.470 13.258 -3.438 516 H ARG 75 HN ARG 75 -12.758 7.589 1.132 517 HA ARG 75 HA ARG 75 -12.131 4.922 0.212 518 HB2 ARG 75 HB2 ARG 75 -12.420 4.216 2.483 519 HB3 ARG 75 HB1 ARG 75 -11.537 5.736 2.513 520 HG2 ARG 75 HG2 ARG 75 -13.574 6.925 3.088 521 HG3 ARG 75 HG1 ARG 75 -14.485 5.420 3.015 522 HD2 ARG 75 HD2 ARG 75 -13.096 4.523 4.842 523 HD3 ARG 75 HD1 ARG 75 -12.260 6.070 4.948 524 HE ARG 75 HE ARG 75 -15.136 6.254 5.161 525 HH11 ARG 75 HH11 ARG 75 -12.170 5.727 6.964 526 HH12 ARG 75 HH12 ARG 75 -12.821 6.341 8.450 527 HH21 ARG 75 HH21 ARG 75 -15.990 7.035 7.129 528 HH22 ARG 75 HH22 ARG 75 -14.988 7.083 8.546 529 H GLU 76 HN GLU 76 -14.923 6.877 0.691 530 HA GLU 76 HA GLU 76 -16.794 4.819 1.157 531 HB2 GLU 76 HB2 GLU 76 -17.229 7.599 0.079 532 HB3 GLU 76 HB1 GLU 76 -18.483 6.539 0.701 533 HG2 GLU 76 HG2 GLU 76 -16.221 7.790 2.228 534 HG3 GLU 76 HG1 GLU 76 -17.941 8.135 2.381 535 H GLY 77 HN GLY 77 -17.629 3.398 -0.214 536 HA2 GLY 77 HA2 GLY 77 -18.461 2.490 -2.156 537 HA3 GLY 77 HA1 GLY 77 -18.354 4.086 -2.887 538 H MET 78 HN MET 78 -15.340 3.703 -1.843 539 HA MET 78 HA MET 78 -14.502 2.564 -4.417 540 HB2 MET 78 HB2 MET 78 -12.934 4.323 -2.511 541 HB3 MET 78 HB1 MET 78 -12.378 3.752 -4.080 542 HG2 MET 78 HG2 MET 78 -14.676 5.637 -3.564 543 HG3 MET 78 HG1 MET 78 -13.106 6.046 -4.257 544 HE1 MET 78 HE1 MET 78 -15.585 6.480 -7.266 545 HE2 MET 78 HE2 MET 78 -14.392 7.266 -6.232 546 HE3 MET 78 HE3 MET 78 -15.955 6.791 -5.570 547 H LEU 79 HN LEU 79 -14.034 2.317 -0.945 548 HA LEU 79 HA LEU 79 -12.568 -0.197 -1.409 549 HB2 LEU 79 HB2 LEU 79 -11.334 1.754 -0.282 550 HB3 LEU 79 HB1 LEU 79 -12.413 1.504 1.079 551 HG LEU 79 HG LEU 79 -11.533 -0.811 1.304 552 HD11 LEU 79 HD11 LEU 79 -9.442 -1.371 0.141 553 HD12 LEU 79 HD12 LEU 79 -9.604 0.096 -0.825 554 HD13 LEU 79 HD13 LEU 79 -10.797 -1.192 -0.970 555 HD21 LEU 79 HD21 LEU 79 -10.635 0.928 2.689 556 HD22 LEU 79 HD22 LEU 79 -9.550 1.452 1.403 557 HD23 LEU 79 HD23 LEU 79 -9.313 -0.117 2.170 558 H PHE 80 HN PHE 80 -13.303 -1.997 -0.315 559 HA PHE 80 HA PHE 80 -15.456 -1.728 1.626 560 HB2 PHE 80 HB2 PHE 80 -16.885 -3.345 0.346 561 HB3 PHE 80 HB1 PHE 80 -16.704 -1.787 -0.444 562 HD1 PHE 80 HD1 PHE 80 -15.660 -1.600 -2.594 563 HD2 PHE 80 HD2 PHE 80 -15.687 -5.331 -0.527 564 HE1 PHE 80 HE1 PHE 80 -14.911 -2.741 -4.633 565 HE2 PHE 80 HE2 PHE 80 -14.937 -6.465 -2.574 566 HZ PHE 80 HZ PHE 80 -14.547 -5.171 -4.630 567 H ILE 81 HN ILE 81 -16.005 -3.867 2.594 568 HA ILE 81 HA ILE 81 -13.589 -5.390 3.041 569 HB ILE 81 HB ILE 81 -16.353 -5.603 4.223 570 HG12 ILE 81 HG12 ILE 81 -14.931 -3.686 4.931 571 HG13 ILE 81 HG11 ILE 81 -15.315 -4.788 6.248 572 HG21 ILE 81 HG21 ILE 81 -13.921 -7.277 4.809 573 HG22 ILE 81 HG22 ILE 81 -15.458 -7.832 4.147 574 HG23 ILE 81 HG23 ILE 81 -15.375 -7.236 5.805 575 HD11 ILE 81 HD11 ILE 81 -13.024 -4.108 6.406 576 HD12 ILE 81 HD12 ILE 81 -12.715 -4.614 4.747 577 HD13 ILE 81 HD13 ILE 81 -13.091 -5.818 5.979 578 H SER 82 HN SER 82 -13.052 -7.204 2.070 579 HA SER 82 HA SER 82 -14.598 -8.376 0.018 580 HB2 SER 82 HB2 SER 82 -12.197 -8.572 -0.046 581 HB3 SER 82 HB1 SER 82 -12.168 -9.362 1.529 582 HG SER 82 HG SER 82 -12.929 -10.373 -0.978 583 H LYS 83 HN LYS 83 -16.230 -9.769 0.167 584 HA LYS 83 HA LYS 83 -17.025 -10.900 2.667 585 HB2 LYS 83 HB2 LYS 83 -17.985 -11.437 -0.150 586 HB3 LYS 83 HB1 LYS 83 -18.725 -12.110 1.295 587 HG2 LYS 83 HG2 LYS 83 -20.081 -10.300 0.788 588 HG3 LYS 83 HG1 LYS 83 -19.012 -9.673 2.041 589 HD2 LYS 83 HD2 LYS 83 -17.625 -8.600 0.351 590 HD3 LYS 83 HD1 LYS 83 -18.633 -9.275 -0.928 591 HE2 LYS 83 HE2 LYS 83 -19.531 -7.326 1.196 592 HE3 LYS 83 HE1 LYS 83 -19.187 -6.934 -0.489 593 HZ1 LYS 83 HZ1 LYS 83 -20.983 -8.432 -1.147 594 HZ2 LYS 83 HZ2 LYS 83 -21.549 -7.193 -0.143 595 HZ3 LYS 83 HZ3 LYS 83 -21.330 -8.747 0.478 596 H LEU 84 HN LEU 84 -14.915 -11.808 0.158 597 HA LEU 84 HA LEU 84 -15.009 -14.643 0.706 598 HB2 LEU 84 HB2 LEU 84 -13.133 -13.037 -1.018 599 HB3 LEU 84 HB1 LEU 84 -13.248 -14.786 -0.988 600 HG LEU 84 HG LEU 84 -15.457 -12.928 -1.876 601 HD11 LEU 84 HD11 LEU 84 -14.937 -13.756 -4.130 602 HD12 LEU 84 HD12 LEU 84 -13.540 -14.613 -3.479 603 HD13 LEU 84 HD13 LEU 84 -13.598 -12.851 -3.424 604 HD21 LEU 84 HD21 LEU 84 -16.321 -15.010 -0.984 605 HD22 LEU 84 HD22 LEU 84 -15.202 -15.931 -1.986 606 HD23 LEU 84 HD23 LEU 84 -16.489 -14.988 -2.738 607 H ASP 85 HN ASP 85 -12.579 -12.050 0.988 608 HA ASP 85 HA ASP 85 -10.946 -13.864 2.625 609 HB2 ASP 85 HB2 ASP 85 -10.179 -11.351 1.134 610 HB3 ASP 85 HB1 ASP 85 -9.078 -12.303 2.123 611 H GLY 86 HN GLY 86 -12.857 -11.052 2.868 612 HA2 GLY 86 HA2 GLY 86 -13.390 -9.845 4.782 613 HA3 GLY 86 HA1 GLY 86 -12.103 -10.679 5.640 614 H ARG 87 HN ARG 87 -10.436 -9.866 3.147 615 HA ARG 87 HA ARG 87 -9.158 -7.649 4.361 616 HB2 ARG 87 HB2 ARG 87 -8.900 -8.930 1.646 617 HB3 ARG 87 HB1 ARG 87 -7.921 -7.561 2.134 618 HG2 ARG 87 HG2 ARG 87 -7.157 -8.957 4.090 619 HG3 ARG 87 HG1 ARG 87 -7.944 -10.326 3.300 620 HD2 ARG 87 HD2 ARG 87 -6.556 -9.958 1.309 621 HD3 ARG 87 HD1 ARG 87 -5.762 -8.609 2.121 622 HE ARG 87 HE ARG 87 -5.637 -11.186 3.461 623 HH11 ARG 87 HH11 ARG 87 -4.020 -8.826 1.423 624 HH12 ARG 87 HH12 ARG 87 -2.446 -9.521 1.666 625 HH21 ARG 87 HH21 ARG 87 -3.562 -12.078 3.784 626 HH22 ARG 87 HH22 ARG 87 -2.187 -11.361 3.007 627 H LEU 88 HN LEU 88 -9.159 -5.490 3.819 628 HA LEU 88 HA LEU 88 -11.391 -4.369 2.494 629 HB2 LEU 88 HB2 LEU 88 -8.695 -3.273 3.261 630 HB3 LEU 88 HB1 LEU 88 -9.877 -2.303 2.413 631 HG LEU 88 HG LEU 88 -10.584 -3.634 5.001 632 HD11 LEU 88 HD11 LEU 88 -9.923 -1.583 6.159 633 HD12 LEU 88 HD12 LEU 88 -9.252 -0.951 4.655 634 HD13 LEU 88 HD13 LEU 88 -8.534 -2.373 5.411 635 HD21 LEU 88 HD21 LEU 88 -11.539 -1.120 3.628 636 HD22 LEU 88 HD22 LEU 88 -12.167 -1.780 5.139 637 HD23 LEU 88 HD23 LEU 88 -12.381 -2.670 3.632 638 H SER 89 HN SER 89 -11.804 -4.346 0.399 639 HA SER 89 HA SER 89 -9.538 -4.590 -1.464 640 HB2 SER 89 HB2 SER 89 -10.859 -6.697 -1.239 641 HB3 SER 89 HB1 SER 89 -12.285 -5.825 -1.802 642 HG SER 89 HG SER 89 -10.089 -6.752 -3.209 643 H CYS 90 HN CYS 90 -9.521 -3.225 -3.161 644 HA CYS 90 HA CYS 90 -11.451 -1.065 -3.128 645 HB2 CYS 90 HB2 CYS 90 -9.927 0.091 -4.619 646 HB3 CYS 90 HB1 CYS 90 -8.999 -0.616 -3.296 647 H THR 91 HN THR 91 -12.259 -0.219 -5.250 648 HA THR 91 HA THR 91 -13.839 -2.150 -6.543 649 HB THR 91 HB THR 91 -14.300 -0.254 -8.173 650 HG1 THR 91 HG1 THR 91 -12.312 0.872 -7.875 651 HG21 THR 91 HG21 THR 91 -15.520 1.081 -6.479 652 HG22 THR 91 HG22 THR 91 -14.653 0.212 -5.212 653 HG23 THR 91 HG23 THR 91 -15.752 -0.655 -6.284 654 H GLU 92 HN GLU 92 -10.600 -1.435 -7.014 655 HA GLU 92 HA GLU 92 -10.523 -1.767 -9.867 656 HB2 GLU 92 HB2 GLU 92 -8.198 -1.913 -7.946 657 HB3 GLU 92 HB1 GLU 92 -8.146 -1.551 -9.664 658 HG2 GLU 92 HG2 GLU 92 -9.287 0.189 -7.487 659 HG3 GLU 92 HG1 GLU 92 -7.801 0.464 -8.390 660 H HIS 93 HN HIS 93 -10.959 -3.856 -7.332 661 HA HIS 93 HA HIS 93 -9.683 -6.098 -8.758 662 HB2 HIS 93 HB2 HIS 93 -10.541 -6.047 -5.858 663 HB3 HIS 93 HB1 HIS 93 -9.617 -7.307 -6.662 664 HD1 HIS 93 HD1 HIS 93 -7.744 -4.865 -8.021 665 HD2 HIS 93 HD2 HIS 93 -8.445 -5.831 -4.045 666 HE1 HIS 93 HE1 HIS 93 -5.831 -3.866 -6.697 667 H ASP 94 HN ASP 94 -11.861 -5.517 -9.965 668 HA ASP 94 HA ASP 94 -14.080 -6.977 -8.730 669 HB2 ASP 94 HB2 ASP 94 -14.543 -4.673 -9.500 670 HB3 ASP 94 HB1 ASP 94 -14.103 -5.149 -11.135 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 9.164 -11.930 15.099 2 H2 GLY 1 HT2 GLY 1 10.050 -12.493 13.772 3 H3 GLY 1 HT3 GLY 1 8.381 -12.757 13.849 4 HA2 GLY 1 HA1 GLY 1 7.955 -10.397 13.683 5 HA3 GLY 1 HA2 GLY 1 9.687 -10.103 13.637 6 H ALA 2 HN ALA 2 7.207 -12.037 11.966 7 HA ALA 2 HA ALA 2 8.775 -11.794 9.497 8 HB1 ALA 2 HB1 ALA 2 7.462 -13.644 8.651 9 HB2 ALA 2 HB2 ALA 2 6.450 -13.619 10.094 10 HB3 ALA 2 HB3 ALA 2 8.153 -14.061 10.220 11 H MET 3 HN MET 3 6.298 -10.216 11.007 12 HA MET 3 HA MET 3 4.729 -9.759 8.599 13 HB2 MET 3 HB2 MET 3 4.413 -8.788 11.435 14 HB3 MET 3 HB1 MET 3 3.390 -8.239 10.115 15 HG2 MET 3 HG2 MET 3 2.720 -10.578 9.712 16 HG3 MET 3 HG1 MET 3 3.668 -11.060 11.116 17 HE1 MET 3 HE1 MET 3 1.753 -9.277 14.036 18 HE2 MET 3 HE2 MET 3 3.124 -8.635 13.133 19 HE3 MET 3 HE3 MET 3 3.098 -10.334 13.606 20 H GLU 4 HN GLU 4 6.662 -7.856 10.893 21 HA GLU 4 HA GLU 4 6.435 -5.453 9.399 22 HB2 GLU 4 HB2 GLU 4 6.892 -5.425 11.804 23 HB3 GLU 4 HB1 GLU 4 8.430 -6.229 11.528 24 HG2 GLU 4 HG2 GLU 4 9.204 -4.300 10.245 25 HG3 GLU 4 HG1 GLU 4 7.666 -3.493 10.548 26 H ARG 5 HN ARG 5 7.730 -4.588 7.881 27 HA ARG 5 HA ARG 5 9.133 -4.555 6.108 28 HB2 ARG 5 HB2 ARG 5 10.919 -5.559 8.311 29 HB3 ARG 5 HB1 ARG 5 11.534 -5.266 6.687 30 HG2 ARG 5 HG2 ARG 5 11.010 -2.959 6.805 31 HG3 ARG 5 HG1 ARG 5 10.067 -3.182 8.279 32 HD2 ARG 5 HD2 ARG 5 12.992 -3.827 8.159 33 HD3 ARG 5 HD1 ARG 5 12.418 -2.197 8.491 34 HE ARG 5 HE ARG 5 11.064 -3.733 10.276 35 HH11 ARG 5 HH11 ARG 5 14.450 -3.375 9.487 36 HH12 ARG 5 HH12 ARG 5 14.990 -3.665 11.109 37 HH21 ARG 5 HH21 ARG 5 11.749 -4.107 12.408 38 HH22 ARG 5 HH22 ARG 5 13.455 -4.102 12.775 39 H GLU 6 HN GLU 6 7.594 -6.226 5.387 40 HA GLU 6 HA GLU 6 8.105 -8.945 5.231 41 HB2 GLU 6 HB2 GLU 6 6.005 -7.841 4.590 42 HB3 GLU 6 HB1 GLU 6 6.804 -7.098 3.216 43 HG2 GLU 6 HG2 GLU 6 7.041 -9.193 2.123 44 HG3 GLU 6 HG1 GLU 6 6.527 -10.068 3.565 45 H ASP 7 HN ASP 7 9.051 -10.239 3.528 46 HA ASP 7 HA ASP 7 11.259 -8.840 2.189 47 HB2 ASP 7 HB2 ASP 7 12.451 -10.918 2.148 48 HB3 ASP 7 HB1 ASP 7 11.813 -10.711 3.773 49 H GLU 8 HN GLU 8 8.513 -8.938 1.266 50 HA GLU 8 HA GLU 8 9.019 -9.813 -1.453 51 HB2 GLU 8 HB2 GLU 8 7.983 -11.769 -0.363 52 HB3 GLU 8 HB1 GLU 8 6.636 -10.767 0.153 53 HG2 GLU 8 HG2 GLU 8 5.951 -10.431 -2.127 54 HG3 GLU 8 HG1 GLU 8 7.371 -11.297 -2.715 55 H CYS 9 HN CYS 9 7.581 -8.748 -2.972 56 HA CYS 9 HA CYS 9 6.892 -6.121 -1.979 57 HB2 CYS 9 HB2 CYS 9 8.057 -6.273 -4.105 58 HB3 CYS 9 HB1 CYS 9 6.796 -7.324 -4.749 59 H PHE 10 HN PHE 10 4.973 -5.746 -1.149 60 HA PHE 10 HA PHE 10 2.739 -7.454 -1.440 61 HB2 PHE 10 HB2 PHE 10 3.014 -6.103 0.543 62 HB3 PHE 10 HB1 PHE 10 2.998 -4.620 -0.403 63 HD1 PHE 10 HD1 PHE 10 1.044 -3.413 -0.509 64 HD2 PHE 10 HD2 PHE 10 0.859 -7.586 0.309 65 HE1 PHE 10 HE1 PHE 10 -1.385 -3.242 -0.184 66 HE2 PHE 10 HE2 PHE 10 -1.566 -7.420 0.633 67 HZ PHE 10 HZ PHE 10 -2.680 -5.203 0.432 68 H SER 11 HN SER 11 3.939 -4.872 -3.356 69 HA SER 11 HA SER 11 1.441 -4.156 -4.570 70 HB2 SER 11 HB2 SER 11 3.296 -2.540 -4.386 71 HB3 SER 11 HB1 SER 11 4.271 -3.553 -5.447 72 HG SER 11 HG SER 11 2.063 -3.169 -6.759 73 H CYS 12 HN CYS 12 3.988 -6.460 -5.247 74 HA CYS 12 HA CYS 12 2.701 -7.038 -7.832 75 HB2 CYS 12 HB2 CYS 12 5.575 -7.536 -7.045 76 HB3 CYS 12 HB1 CYS 12 4.859 -7.882 -8.618 77 H GLY 13 HN GLY 13 3.753 -8.368 -4.803 78 HA2 GLY 13 HA2 GLY 13 3.240 -10.444 -3.882 79 HA3 GLY 13 HA1 GLY 13 2.547 -10.929 -5.426 80 H ASP 14 HN ASP 14 5.597 -9.499 -5.620 81 HA ASP 14 HA ASP 14 6.950 -12.097 -5.805 82 HB2 ASP 14 HB2 ASP 14 6.996 -9.814 -7.779 83 HB3 ASP 14 HB1 ASP 14 8.227 -11.071 -7.762 84 H ALA 15 HN ALA 15 9.266 -11.978 -5.514 85 HA ALA 15 HA ALA 15 10.015 -9.705 -3.818 86 HB1 ALA 15 HB1 ALA 15 10.057 -11.890 -2.732 87 HB2 ALA 15 HB2 ALA 15 11.661 -11.159 -2.805 88 HB3 ALA 15 HB3 ALA 15 11.230 -12.455 -3.922 89 H GLY 16 HN GLY 16 12.219 -8.934 -3.919 90 HA2 GLY 16 HA2 GLY 16 14.134 -9.496 -5.798 91 HA3 GLY 16 HA1 GLY 16 13.006 -8.416 -6.610 92 H GLN 17 HN GLN 17 14.222 -6.572 -6.736 93 HA GLN 17 HA GLN 17 15.722 -5.521 -4.553 94 HB2 GLN 17 HB2 GLN 17 16.279 -4.880 -6.829 95 HB3 GLN 17 HB1 GLN 17 14.678 -4.193 -7.062 96 HG2 GLN 17 HG2 GLN 17 15.174 -2.544 -5.290 97 HG3 GLN 17 HG1 GLN 17 16.806 -3.197 -5.184 98 HE21 GLN 17 HE21 GLN 17 17.015 -3.638 -8.052 99 HE22 GLN 17 HE22 GLN 17 17.244 -2.076 -8.757 100 H LEU 18 HN LEU 18 14.499 -5.303 -2.728 101 HA LEU 18 HA LEU 18 11.982 -3.832 -2.962 102 HB2 LEU 18 HB2 LEU 18 12.991 -5.525 -0.682 103 HB3 LEU 18 HB1 LEU 18 11.399 -4.795 -0.807 104 HG LEU 18 HG LEU 18 12.413 -6.814 -2.789 105 HD11 LEU 18 HD11 LEU 18 12.416 -7.873 -0.624 106 HD12 LEU 18 HD12 LEU 18 11.058 -8.462 -1.581 107 HD13 LEU 18 HD13 LEU 18 10.788 -7.280 -0.305 108 HD21 LEU 18 HD21 LEU 18 10.060 -7.064 -3.320 109 HD22 LEU 18 HD22 LEU 18 10.576 -5.392 -3.528 110 HD23 LEU 18 HD23 LEU 18 9.646 -5.857 -2.107 111 H VAL 19 HN VAL 19 11.669 -1.953 -2.033 112 HA VAL 19 HA VAL 19 13.707 -0.897 -0.194 113 HB VAL 19 HB VAL 19 13.619 0.493 -2.155 114 HG11 VAL 19 HG11 VAL 19 11.508 -0.127 -3.098 115 HG12 VAL 19 HG12 VAL 19 11.525 1.621 -2.865 116 HG13 VAL 19 HG13 VAL 19 10.637 0.589 -1.741 117 HG21 VAL 19 HG21 VAL 19 12.111 1.792 0.110 118 HG22 VAL 19 HG22 VAL 19 12.909 2.652 -1.207 119 HG23 VAL 19 HG23 VAL 19 13.862 1.695 -0.073 120 H SER 20 HN SER 20 13.065 -0.444 1.841 121 HA SER 20 HA SER 20 10.316 -1.174 2.475 122 HB2 SER 20 HB2 SER 20 12.164 -2.340 3.642 123 HB3 SER 20 HB1 SER 20 12.679 -0.804 4.333 124 HG SER 20 HG SER 20 11.217 -1.053 5.811 125 H CYS 21 HN CYS 21 9.027 0.020 3.845 126 HA CYS 21 HA CYS 21 9.134 2.840 3.451 127 HB2 CYS 21 HB2 CYS 21 7.061 1.341 3.721 128 HB3 CYS 21 HB1 CYS 21 7.406 1.383 5.449 129 H LYS 22 HN LYS 22 10.062 4.347 4.743 130 HA LYS 22 HA LYS 22 11.541 3.341 7.048 131 HB2 LYS 22 HB2 LYS 22 11.695 6.067 5.758 132 HB3 LYS 22 HB1 LYS 22 12.860 5.346 6.862 133 HG2 LYS 22 HG2 LYS 22 13.344 3.613 5.185 134 HG3 LYS 22 HG1 LYS 22 12.225 4.397 4.074 135 HD2 LYS 22 HD2 LYS 22 13.612 6.414 4.111 136 HD3 LYS 22 HD1 LYS 22 14.733 5.621 5.220 137 HE2 LYS 22 HE2 LYS 22 14.087 4.752 2.403 138 HE3 LYS 22 HE1 LYS 22 15.575 5.530 2.938 139 HZ1 LYS 22 HZ1 LYS 22 16.017 3.610 4.350 140 HZ2 LYS 22 HZ2 LYS 22 15.870 3.150 2.733 141 HZ3 LYS 22 HZ3 LYS 22 14.601 2.862 3.810 142 H LYS 23 HN LYS 23 8.649 3.804 7.025 143 HA LYS 23 HA LYS 23 8.432 5.833 9.143 144 HB2 LYS 23 HB2 LYS 23 7.018 6.088 7.047 145 HB3 LYS 23 HB1 LYS 23 6.185 4.617 7.529 146 HG2 LYS 23 HG2 LYS 23 5.483 5.709 9.613 147 HG3 LYS 23 HG1 LYS 23 6.286 7.191 9.093 148 HD2 LYS 23 HD2 LYS 23 4.819 7.204 7.079 149 HD3 LYS 23 HD1 LYS 23 3.956 5.817 7.750 150 HE2 LYS 23 HE2 LYS 23 2.717 7.801 8.274 151 HE3 LYS 23 HE1 LYS 23 3.445 7.192 9.760 152 HZ1 LYS 23 HZ1 LYS 23 4.526 9.411 8.103 153 HZ2 LYS 23 HZ2 LYS 23 5.180 8.843 9.559 154 HZ3 LYS 23 HZ3 LYS 23 3.667 9.593 9.553 155 HA PRO 24 HA PRO 24 8.378 2.263 11.867 156 HB2 PRO 24 HB2 PRO 24 7.109 4.289 13.648 157 HB3 PRO 24 HB1 PRO 24 8.453 3.190 13.975 158 HG2 PRO 24 HG2 PRO 24 8.899 5.769 13.514 159 HG3 PRO 24 HG1 PRO 24 9.991 4.526 12.873 160 HD2 PRO 24 HD2 PRO 24 7.917 6.144 11.453 161 HD3 PRO 24 HD1 PRO 24 9.492 5.563 10.872 162 H GLY 25 HN GLY 25 6.878 0.713 12.108 163 HA2 GLY 25 HA2 GLY 25 4.729 -0.021 12.875 164 HA3 GLY 25 HA1 GLY 25 4.056 1.513 12.338 165 H CYS 26 HN CYS 26 5.764 1.129 9.800 166 HA CYS 26 HA CYS 26 3.646 -0.206 8.334 167 HB2 CYS 26 HB2 CYS 26 4.926 1.986 7.713 168 HB3 CYS 26 HB1 CYS 26 6.153 0.880 7.099 169 HA PRO 27 HA PRO 27 6.215 -3.870 8.367 170 HB2 PRO 27 HB2 PRO 27 4.260 -5.657 8.124 171 HB3 PRO 27 HB1 PRO 27 4.389 -4.671 9.589 172 HG2 PRO 27 HG2 PRO 27 2.535 -4.385 7.262 173 HG3 PRO 27 HG1 PRO 27 2.212 -4.144 8.993 174 HD2 PRO 27 HD2 PRO 27 2.803 -2.126 7.125 175 HD3 PRO 27 HD1 PRO 27 2.844 -1.964 8.895 176 H LYS 28 HN LYS 28 5.097 -2.362 5.706 177 HA LYS 28 HA LYS 28 5.275 -4.750 3.997 178 HB2 LYS 28 HB2 LYS 28 3.451 -2.513 3.997 179 HB3 LYS 28 HB1 LYS 28 4.259 -2.652 2.430 180 HG2 LYS 28 HG2 LYS 28 2.246 -3.922 2.323 181 HG3 LYS 28 HG1 LYS 28 3.588 -5.064 2.387 182 HD2 LYS 28 HD2 LYS 28 3.189 -5.375 4.798 183 HD3 LYS 28 HD1 LYS 28 1.834 -4.248 4.707 184 HE2 LYS 28 HE2 LYS 28 0.807 -6.323 4.578 185 HE3 LYS 28 HE1 LYS 28 0.926 -5.829 2.893 186 HZ1 LYS 28 HZ1 LYS 28 1.587 -8.101 3.081 187 HZ2 LYS 28 HZ2 LYS 28 2.694 -7.747 4.305 188 HZ3 LYS 28 HZ3 LYS 28 2.977 -7.196 2.732 189 H VAL 29 HN VAL 29 6.300 -4.637 1.972 190 HA VAL 29 HA VAL 29 8.280 -2.491 1.625 191 HB VAL 29 HB VAL 29 9.159 -4.703 2.693 192 HG11 VAL 29 HG11 VAL 29 8.076 -6.228 1.154 193 HG12 VAL 29 HG12 VAL 29 9.829 -6.402 1.099 194 HG13 VAL 29 HG13 VAL 29 8.988 -5.535 -0.185 195 HG21 VAL 29 HG21 VAL 29 10.438 -3.362 0.338 196 HG22 VAL 29 HG22 VAL 29 11.263 -4.547 1.351 197 HG23 VAL 29 HG23 VAL 29 10.690 -3.036 2.052 198 H TYR 30 HN TYR 30 9.062 -2.389 -0.654 199 HA TYR 30 HA TYR 30 7.367 -3.717 -2.636 200 HB2 TYR 30 HB2 TYR 30 7.574 -0.702 -2.474 201 HB3 TYR 30 HB1 TYR 30 6.719 -1.616 -3.709 202 HD1 TYR 30 HD1 TYR 30 4.735 -3.069 -2.913 203 HD2 TYR 30 HD2 TYR 30 6.445 0.055 -0.588 204 HE1 TYR 30 HE1 TYR 30 2.688 -2.961 -1.561 205 HE2 TYR 30 HE2 TYR 30 4.402 0.172 0.768 206 HH TYR 30 HH TYR 30 2.032 -0.408 0.589 207 H HIS 31 HN HIS 31 8.116 -3.162 -4.880 208 HA HIS 31 HA HIS 31 11.002 -2.904 -5.023 209 HB2 HIS 31 HB2 HIS 31 9.001 -3.018 -7.301 210 HB3 HIS 31 HB1 HIS 31 10.747 -3.203 -7.435 211 HD2 HIS 31 HD2 HIS 31 11.567 -5.574 -5.741 212 HE1 HIS 31 HE1 HIS 31 8.069 -7.564 -7.070 213 HE2 HIS 31 HE2 HIS 31 10.462 -7.871 -6.263 214 H ALA 32 HN ALA 32 12.072 -1.176 -6.004 215 HA ALA 32 HA ALA 32 10.859 1.373 -5.762 216 HB1 ALA 32 HB1 ALA 32 12.957 2.220 -6.726 217 HB2 ALA 32 HB2 ALA 32 13.437 0.565 -7.096 218 HB3 ALA 32 HB3 ALA 32 13.241 1.072 -5.418 219 H ASP 33 HN ASP 33 11.303 -0.903 -8.328 220 HA ASP 33 HA ASP 33 10.853 0.781 -10.535 221 HB2 ASP 33 HB2 ASP 33 10.522 -2.187 -10.155 222 HB3 ASP 33 HB1 ASP 33 10.173 -1.401 -11.687 223 H CYS 34 HN CYS 34 8.584 -1.214 -8.637 224 HA CYS 34 HA CYS 34 6.387 -0.557 -10.361 225 HB2 CYS 34 HB2 CYS 34 5.053 -1.690 -8.441 226 HB3 CYS 34 HB1 CYS 34 6.163 -2.680 -9.380 227 H LEU 35 HN LEU 35 7.824 0.867 -7.588 228 HA LEU 35 HA LEU 35 5.484 2.434 -6.906 229 HB2 LEU 35 HB2 LEU 35 8.322 2.490 -5.912 230 HB3 LEU 35 HB1 LEU 35 7.069 3.564 -5.327 231 HG LEU 35 HG LEU 35 6.983 0.560 -5.096 232 HD11 LEU 35 HD11 LEU 35 7.354 1.140 -2.653 233 HD12 LEU 35 HD12 LEU 35 7.873 2.725 -3.223 234 HD13 LEU 35 HD13 LEU 35 8.746 1.277 -3.724 235 HD21 LEU 35 HD21 LEU 35 5.260 2.739 -3.921 236 HD22 LEU 35 HD22 LEU 35 5.178 1.035 -3.476 237 HD23 LEU 35 HD23 LEU 35 4.767 1.538 -5.114 238 H ASN 36 HN ASN 36 7.667 2.601 -9.333 239 HA ASN 36 HA ASN 36 8.325 4.178 -10.821 240 HB2 ASN 36 HB2 ASN 36 5.885 4.789 -10.726 241 HB3 ASN 36 HB1 ASN 36 6.286 5.984 -9.501 242 HD21 ASN 36 HD21 ASN 36 8.198 5.189 -12.354 243 HD22 ASN 36 HD22 ASN 36 8.026 6.733 -13.109 244 H LEU 37 HN LEU 37 9.775 3.892 -8.411 245 HA LEU 37 HA LEU 37 10.427 6.544 -7.466 246 HB2 LEU 37 HB2 LEU 37 11.545 3.826 -6.841 247 HB3 LEU 37 HB1 LEU 37 12.241 5.297 -6.196 248 HG LEU 37 HG LEU 37 9.450 4.265 -5.677 249 HD11 LEU 37 HD11 LEU 37 11.241 3.052 -4.510 250 HD12 LEU 37 HD12 LEU 37 10.219 3.965 -3.402 251 HD13 LEU 37 HD13 LEU 37 11.815 4.575 -3.836 252 HD21 LEU 37 HD21 LEU 37 10.819 6.753 -4.662 253 HD22 LEU 37 HD22 LEU 37 9.269 6.132 -4.096 254 HD23 LEU 37 HD23 LEU 37 9.438 6.691 -5.758 255 H THR 38 HN THR 38 10.925 7.175 -9.760 256 HA THR 38 HA THR 38 13.414 6.392 -10.897 257 HB THR 38 HB THR 38 12.035 9.042 -11.344 258 HG1 THR 38 HG1 THR 38 10.873 7.819 -13.015 259 HG21 THR 38 HG21 THR 38 12.932 8.787 -13.612 260 HG22 THR 38 HG22 THR 38 13.647 7.241 -13.159 261 HG23 THR 38 HG23 THR 38 14.222 8.730 -12.412 262 H LYS 39 HN LYS 39 12.381 8.742 -8.548 263 HA LYS 39 HA LYS 39 15.109 9.750 -8.237 264 HB2 LYS 39 HB2 LYS 39 12.523 10.585 -6.900 265 HB3 LYS 39 HB1 LYS 39 14.089 11.313 -6.589 266 HG2 LYS 39 HG2 LYS 39 12.678 11.316 -9.252 267 HG3 LYS 39 HG1 LYS 39 12.711 12.660 -8.107 268 HD2 LYS 39 HD2 LYS 39 15.192 12.671 -8.287 269 HD3 LYS 39 HD1 LYS 39 15.068 11.436 -9.540 270 HE2 LYS 39 HE2 LYS 39 15.320 13.649 -10.521 271 HE3 LYS 39 HE1 LYS 39 13.746 12.965 -10.916 272 HZ1 LYS 39 HZ1 LYS 39 12.774 14.307 -9.146 273 HZ2 LYS 39 HZ2 LYS 39 13.554 15.277 -10.290 274 HZ3 LYS 39 HZ3 LYS 39 14.290 14.974 -8.799 275 H ARG 40 HN ARG 40 16.388 9.098 -6.604 276 HA ARG 40 HA ARG 40 15.545 6.838 -5.046 277 HB2 ARG 40 HB2 ARG 40 17.798 6.898 -5.944 278 HB3 ARG 40 HB1 ARG 40 18.132 8.396 -5.087 279 HG2 ARG 40 HG2 ARG 40 17.990 7.262 -2.962 280 HG3 ARG 40 HG1 ARG 40 17.523 5.762 -3.764 281 HD2 ARG 40 HD2 ARG 40 20.136 7.197 -4.210 282 HD3 ARG 40 HD1 ARG 40 19.919 5.842 -3.106 283 HE ARG 40 HE ARG 40 19.228 5.481 -5.931 284 HH11 ARG 40 HH11 ARG 40 21.386 4.823 -3.259 285 HH12 ARG 40 HH12 ARG 40 22.123 3.450 -4.017 286 HH21 ARG 40 HH21 ARG 40 20.200 3.671 -6.945 287 HH22 ARG 40 HH22 ARG 40 21.453 2.798 -6.120 288 HA PRO 41 HA PRO 41 14.182 9.529 -1.722 289 HB2 PRO 41 HB2 PRO 41 13.035 7.620 -0.209 290 HB3 PRO 41 HB1 PRO 41 12.275 8.236 -1.680 291 HG2 PRO 41 HG2 PRO 41 13.840 5.720 -1.261 292 HG3 PRO 41 HG1 PRO 41 12.337 5.967 -2.173 293 HD2 PRO 41 HD2 PRO 41 14.798 5.828 -3.356 294 HD3 PRO 41 HD1 PRO 41 13.447 6.762 -4.033 295 H ALA 42 HN ALA 42 15.157 10.158 0.127 296 HA ALA 42 HA ALA 42 16.868 8.252 1.556 297 HB1 ALA 42 HB1 ALA 42 17.714 11.025 0.729 298 HB2 ALA 42 HB2 ALA 42 18.309 9.513 0.043 299 HB3 ALA 42 HB3 ALA 42 18.648 9.911 1.726 300 H GLY 43 HN GLY 43 17.299 8.849 3.769 301 HA2 GLY 43 HA2 GLY 43 16.884 10.017 5.762 302 HA3 GLY 43 HA1 GLY 43 15.782 11.072 4.888 303 H LYS 44 HN LYS 44 13.728 10.847 5.403 304 HA LYS 44 HA LYS 44 12.800 8.200 6.302 305 HB2 LYS 44 HB2 LYS 44 11.704 10.937 6.983 306 HB3 LYS 44 HB1 LYS 44 10.977 9.413 7.471 307 HG2 LYS 44 HG2 LYS 44 12.950 8.870 8.782 308 HG3 LYS 44 HG1 LYS 44 13.717 10.374 8.267 309 HD2 LYS 44 HD2 LYS 44 11.906 11.647 9.330 310 HD3 LYS 44 HD1 LYS 44 11.165 10.138 9.861 311 HE2 LYS 44 HE2 LYS 44 13.905 11.125 10.653 312 HE3 LYS 44 HE1 LYS 44 12.455 11.225 11.648 313 HZ1 LYS 44 HZ1 LYS 44 12.332 8.803 11.619 314 HZ2 LYS 44 HZ2 LYS 44 13.792 9.336 12.281 315 HZ3 LYS 44 HZ3 LYS 44 13.751 8.726 10.706 316 H TRP 45 HN TRP 45 11.855 7.242 4.638 317 HA TRP 45 HA TRP 45 10.230 8.843 2.811 318 HB2 TRP 45 HB2 TRP 45 12.021 7.679 1.681 319 HB3 TRP 45 HB1 TRP 45 11.555 6.157 2.429 320 HD1 TRP 45 HD1 TRP 45 10.131 8.729 -0.091 321 HE1 TRP 45 HE1 TRP 45 8.614 7.474 -1.739 322 HE3 TRP 45 HE3 TRP 45 10.356 4.074 2.002 323 HZ2 TRP 45 HZ2 TRP 45 7.642 4.846 -2.111 324 HZ3 TRP 45 HZ3 TRP 45 9.103 2.239 0.935 325 HH2 TRP 45 HH2 TRP 45 7.777 2.619 -1.074 326 H GLU 46 HN GLU 46 8.118 8.514 2.637 327 HA GLU 46 HA GLU 46 6.937 6.340 4.232 328 HB2 GLU 46 HB2 GLU 46 5.746 9.013 3.456 329 HB3 GLU 46 HB1 GLU 46 4.984 7.800 4.476 330 HG2 GLU 46 HG2 GLU 46 6.548 8.137 6.212 331 HG3 GLU 46 HG1 GLU 46 7.606 9.087 5.171 332 H CYS 47 HN CYS 47 5.893 4.803 3.122 333 HA CYS 47 HA CYS 47 5.800 4.777 0.313 334 HB2 CYS 47 HB2 CYS 47 4.700 2.665 0.490 335 HB3 CYS 47 HB1 CYS 47 5.837 2.752 1.830 336 HA PRO 48 HA PRO 48 2.037 6.865 -0.714 337 HB2 PRO 48 HB2 PRO 48 1.303 5.466 -2.942 338 HB3 PRO 48 HB1 PRO 48 2.617 6.653 -2.926 339 HG2 PRO 48 HG2 PRO 48 2.754 3.666 -2.727 340 HG3 PRO 48 HG1 PRO 48 3.760 4.769 -3.685 341 HD2 PRO 48 HD2 PRO 48 4.609 3.740 -1.347 342 HD3 PRO 48 HD1 PRO 48 5.046 5.386 -1.851 343 H TRP 49 HN TRP 49 2.112 3.714 0.401 344 HA TRP 49 HA TRP 49 -0.668 3.054 0.107 345 HB2 TRP 49 HB2 TRP 49 1.277 1.412 0.445 346 HB3 TRP 49 HB1 TRP 49 1.260 1.905 2.138 347 HD1 TRP 49 HD1 TRP 49 -1.757 0.997 -0.140 348 HE1 TRP 49 HE1 TRP 49 -3.052 -0.924 0.986 349 HE3 TRP 49 HE3 TRP 49 1.274 0.235 3.914 350 HZ2 TRP 49 HZ2 TRP 49 -2.833 -2.525 3.292 351 HZ3 TRP 49 HZ3 TRP 49 0.651 -1.505 5.534 352 HH2 TRP 49 HH2 TRP 49 -1.361 -2.863 5.227 353 H HIS 50 HN HIS 50 0.963 5.304 1.922 354 HA HIS 50 HA HIS 50 -1.069 5.330 4.037 355 HB2 HIS 50 HB2 HIS 50 1.368 7.098 3.736 356 HB3 HIS 50 HB1 HIS 50 0.301 7.008 5.135 357 HD1 HIS 50 HD1 HIS 50 0.269 3.851 5.393 358 HD2 HIS 50 HD2 HIS 50 3.621 6.244 4.882 359 HE1 HIS 50 HE1 HIS 50 2.227 2.551 6.347 360 H GLN 51 HN GLN 51 -0.792 6.407 0.982 361 HA GLN 51 HA GLN 51 -2.070 8.987 1.575 362 HB2 GLN 51 HB2 GLN 51 -0.179 8.361 -0.697 363 HB3 GLN 51 HB1 GLN 51 -1.061 9.868 -0.509 364 HG2 GLN 51 HG2 GLN 51 0.890 8.800 1.504 365 HG3 GLN 51 HG1 GLN 51 1.301 9.959 0.243 366 HE21 GLN 51 HE21 GLN 51 -0.428 9.463 3.244 367 HE22 GLN 51 HE22 GLN 51 -0.675 11.136 3.590 368 H CYS 52 HN CYS 52 -3.849 9.501 0.546 369 HA CYS 52 HA CYS 52 -5.469 7.518 -0.592 370 HB2 CYS 52 HB2 CYS 52 -6.331 9.490 0.566 371 HB3 CYS 52 HB1 CYS 52 -5.685 10.529 -0.691 372 H ASP 53 HN ASP 53 -5.509 6.710 -2.556 373 HA ASP 53 HA ASP 53 -3.759 7.457 -4.611 374 HB2 ASP 53 HB2 ASP 53 -4.698 5.202 -4.423 375 HB3 ASP 53 HB1 ASP 53 -6.309 5.822 -4.758 376 H VAL 54 HN VAL 54 -6.829 8.735 -3.738 377 HA VAL 54 HA VAL 54 -7.396 9.755 -6.392 378 HB VAL 54 HB VAL 54 -8.903 10.181 -3.808 379 HG11 VAL 54 HG11 VAL 54 -9.676 10.800 -6.655 380 HG12 VAL 54 HG12 VAL 54 -9.307 11.978 -5.393 381 HG13 VAL 54 HG13 VAL 54 -10.731 10.945 -5.248 382 HG21 VAL 54 HG21 VAL 54 -10.509 8.577 -4.754 383 HG22 VAL 54 HG22 VAL 54 -8.927 7.848 -4.480 384 HG23 VAL 54 HG23 VAL 54 -9.418 8.303 -6.112 385 H CYS 55 HN CYS 55 -6.660 11.161 -3.169 386 HA CYS 55 HA CYS 55 -6.303 13.720 -4.579 387 HB2 CYS 55 HB2 CYS 55 -6.979 14.877 -2.547 388 HB3 CYS 55 HB1 CYS 55 -8.221 13.756 -3.088 389 H GLY 56 HN GLY 56 -4.521 11.367 -3.068 390 HA2 GLY 56 HA2 GLY 56 -2.274 11.312 -2.595 391 HA3 GLY 56 HA1 GLY 56 -2.177 12.965 -3.183 392 H LYS 57 HN LYS 57 -4.421 12.445 -0.657 393 HA LYS 57 HA LYS 57 -2.566 13.714 1.225 394 HB2 LYS 57 HB2 LYS 57 -5.585 13.683 1.183 395 HB3 LYS 57 HB1 LYS 57 -4.613 14.442 2.434 396 HG2 LYS 57 HG2 LYS 57 -3.670 15.976 0.824 397 HG3 LYS 57 HG1 LYS 57 -4.544 15.179 -0.483 398 HD2 LYS 57 HD2 LYS 57 -6.659 15.859 0.464 399 HD3 LYS 57 HD1 LYS 57 -5.842 16.545 1.871 400 HE2 LYS 57 HE2 LYS 57 -6.465 18.294 0.289 401 HE3 LYS 57 HE1 LYS 57 -4.715 18.166 0.430 402 HZ1 LYS 57 HZ1 LYS 57 -4.677 16.901 -1.631 403 HZ2 LYS 57 HZ2 LYS 57 -5.395 18.413 -1.868 404 HZ3 LYS 57 HZ3 LYS 57 -6.359 17.031 -1.769 405 H GLU 58 HN GLU 58 -3.660 13.247 3.608 406 HA GLU 58 HA GLU 58 -2.654 10.777 4.357 407 HB2 GLU 58 HB2 GLU 58 -3.013 12.707 5.867 408 HB3 GLU 58 HB1 GLU 58 -4.744 12.426 5.790 409 HG2 GLU 58 HG2 GLU 58 -3.904 11.539 7.839 410 HG3 GLU 58 HG1 GLU 58 -4.389 10.203 6.797 411 H ALA 59 HN ALA 59 -3.400 8.764 4.254 412 HA ALA 59 HA ALA 59 -6.157 8.331 3.400 413 HB1 ALA 59 HB1 ALA 59 -4.500 7.217 2.083 414 HB2 ALA 59 HB2 ALA 59 -5.396 6.006 2.996 415 HB3 ALA 59 HB3 ALA 59 -3.780 6.489 3.518 416 H ALA 60 HN ALA 60 -7.631 7.127 4.537 417 HA ALA 60 HA ALA 60 -6.899 6.478 7.313 418 HB1 ALA 60 HB1 ALA 60 -9.284 6.666 7.826 419 HB2 ALA 60 HB2 ALA 60 -9.622 7.030 6.133 420 HB3 ALA 60 HB3 ALA 60 -8.666 8.150 7.103 421 H SER 61 HN SER 61 -8.377 5.272 4.376 422 HA SER 61 HA SER 61 -8.520 2.598 5.589 423 HB2 SER 61 HB2 SER 61 -10.099 2.098 3.700 424 HB3 SER 61 HB1 SER 61 -10.689 3.321 4.822 425 HG SER 61 HG SER 61 -9.219 4.295 2.704 426 H PHE 62 HN PHE 62 -7.473 0.908 4.587 427 HA PHE 62 HA PHE 62 -5.700 1.662 2.354 428 HB2 PHE 62 HB2 PHE 62 -4.928 -0.267 4.552 429 HB3 PHE 62 HB1 PHE 62 -3.872 0.543 3.390 430 HD1 PHE 62 HD1 PHE 62 -5.233 0.634 6.681 431 HD2 PHE 62 HD2 PHE 62 -3.696 3.100 3.572 432 HE1 PHE 62 HE1 PHE 62 -4.766 2.410 8.316 433 HE2 PHE 62 HE2 PHE 62 -3.234 4.876 5.206 434 HZ PHE 62 HZ PHE 62 -3.885 4.537 7.606 435 H CYS 63 HN CYS 63 -5.919 0.351 0.601 436 HA CYS 63 HA CYS 63 -7.500 -2.007 0.691 437 HB2 CYS 63 HB2 CYS 63 -7.207 -0.686 -1.395 438 HB3 CYS 63 HB1 CYS 63 -5.521 -1.199 -1.454 439 H GLU 64 HN GLU 64 -6.967 -3.995 1.241 440 HA GLU 64 HA GLU 64 -4.240 -4.473 2.124 441 HB2 GLU 64 HB2 GLU 64 -6.775 -6.085 2.414 442 HB3 GLU 64 HB1 GLU 64 -5.221 -6.571 3.076 443 HG2 GLU 64 HG2 GLU 64 -5.199 -4.521 4.449 444 HG3 GLU 64 HG1 GLU 64 -6.789 -4.105 3.813 445 H MET 65 HN MET 65 -5.230 -4.468 -0.786 446 HA MET 65 HA MET 65 -3.895 -7.002 -1.476 447 HB2 MET 65 HB2 MET 65 -6.200 -5.716 -2.942 448 HB3 MET 65 HB1 MET 65 -5.291 -7.115 -3.513 449 HG2 MET 65 HG2 MET 65 -6.027 -8.407 -1.596 450 HG3 MET 65 HG1 MET 65 -6.893 -7.008 -0.962 451 HE1 MET 65 HE1 MET 65 -8.115 -9.975 -1.519 452 HE2 MET 65 HE2 MET 65 -9.705 -9.517 -2.127 453 HE3 MET 65 HE3 MET 65 -9.005 -8.658 -0.756 454 H CYS 66 HN CYS 66 -3.780 -3.635 -1.706 455 HA CYS 66 HA CYS 66 -1.577 -3.726 -3.522 456 HB2 CYS 66 HB2 CYS 66 -2.494 -2.556 -5.376 457 HB3 CYS 66 HB1 CYS 66 -3.659 -3.823 -5.016 458 HA PRO 67 HA PRO 67 -0.549 -0.007 -1.408 459 HB2 PRO 67 HB2 PRO 67 0.379 1.363 -3.830 460 HB3 PRO 67 HB1 PRO 67 1.317 0.746 -2.467 461 HG2 PRO 67 HG2 PRO 67 1.421 -0.401 -4.893 462 HG3 PRO 67 HG1 PRO 67 1.538 -1.347 -3.398 463 HD2 PRO 67 HD2 PRO 67 -0.849 -0.935 -5.184 464 HD3 PRO 67 HD1 PRO 67 -0.244 -2.440 -4.445 465 H SER 68 HN SER 68 -3.158 0.063 -3.347 466 HA SER 68 HA SER 68 -3.486 2.938 -3.495 467 HB2 SER 68 HB2 SER 68 -5.421 0.725 -4.224 468 HB3 SER 68 HB1 SER 68 -5.635 2.442 -4.571 469 HG SER 68 HG SER 68 -3.450 2.153 -5.653 470 H SER 69 HN SER 69 -3.786 3.856 -1.578 471 HA SER 69 HA SER 69 -5.872 2.757 0.180 472 HB2 SER 69 HB2 SER 69 -4.777 4.257 1.919 473 HB3 SER 69 HB1 SER 69 -3.797 2.897 1.364 474 HG SER 69 HG SER 69 -3.543 5.309 -0.020 475 H PHE 70 HN PHE 70 -7.197 4.477 1.343 476 HA PHE 70 HA PHE 70 -7.622 6.809 -0.400 477 HB2 PHE 70 HB2 PHE 70 -9.817 4.955 0.558 478 HB3 PHE 70 HB1 PHE 70 -10.044 6.436 -0.374 479 HD1 PHE 70 HD1 PHE 70 -9.013 6.546 -2.691 480 HD2 PHE 70 HD2 PHE 70 -9.473 2.920 -0.518 481 HE1 PHE 70 HE1 PHE 70 -8.822 5.271 -4.786 482 HE2 PHE 70 HE2 PHE 70 -9.283 1.635 -2.607 483 HZ PHE 70 HZ PHE 70 -8.931 2.799 -4.736 484 H CYS 71 HN CYS 71 -8.585 8.591 0.590 485 HA CYS 71 HA CYS 71 -8.188 8.760 3.443 486 HB2 CYS 71 HB2 CYS 71 -8.615 11.115 3.192 487 HB3 CYS 71 HB1 CYS 71 -7.598 10.612 1.844 488 H LYS 72 HN LYS 72 -9.997 10.043 4.676 489 HA LYS 72 HA LYS 72 -12.205 8.378 4.955 490 HB2 LYS 72 HB2 LYS 72 -11.903 11.281 5.721 491 HB3 LYS 72 HB1 LYS 72 -13.207 10.236 6.271 492 HG2 LYS 72 HG2 LYS 72 -11.614 8.792 7.386 493 HG3 LYS 72 HG1 LYS 72 -10.280 9.770 6.782 494 HD2 LYS 72 HD2 LYS 72 -11.166 11.700 8.028 495 HD3 LYS 72 HD1 LYS 72 -12.448 10.672 8.669 496 HE2 LYS 72 HE2 LYS 72 -10.804 9.251 9.739 497 HE3 LYS 72 HE1 LYS 72 -9.496 10.212 9.055 498 HZ1 LYS 72 HZ1 LYS 72 -10.313 12.118 10.320 499 HZ2 LYS 72 HZ2 LYS 72 -9.893 10.832 11.335 500 HZ3 LYS 72 HZ3 LYS 72 -11.521 11.155 11.011 501 H GLN 73 HN GLN 73 -11.784 11.247 2.997 502 HA GLN 73 HA GLN 73 -14.527 11.530 2.290 503 HB2 GLN 73 HB2 GLN 73 -11.994 12.655 1.121 504 HB3 GLN 73 HB1 GLN 73 -13.592 13.072 0.523 505 HG2 GLN 73 HG2 GLN 73 -14.184 14.104 2.575 506 HG3 GLN 73 HG1 GLN 73 -12.764 13.447 3.388 507 HE21 GLN 73 HE21 GLN 73 -13.941 15.849 1.158 508 HE22 GLN 73 HE22 GLN 73 -12.519 16.832 1.166 509 H HIS 74 HN HIS 74 -11.755 9.934 0.782 510 HA HIS 74 HA HIS 74 -13.464 9.283 -1.518 511 HB2 HIS 74 HB2 HIS 74 -10.446 9.283 -1.293 512 HB3 HIS 74 HB1 HIS 74 -11.352 8.818 -2.737 513 HD2 HIS 74 HD2 HIS 74 -13.462 11.285 -2.774 514 HE1 HIS 74 HE1 HIS 74 -9.995 13.696 -2.812 515 HE2 HIS 74 HE2 HIS 74 -12.464 13.602 -3.381 516 H ARG 75 HN ARG 75 -13.237 7.785 1.145 517 HA ARG 75 HA ARG 75 -12.367 5.198 0.111 518 HB2 ARG 75 HB2 ARG 75 -12.685 4.355 2.382 519 HB3 ARG 75 HB1 ARG 75 -11.617 5.750 2.349 520 HG2 ARG 75 HG2 ARG 75 -13.511 7.162 3.064 521 HG3 ARG 75 HG1 ARG 75 -14.503 5.708 3.193 522 HD2 ARG 75 HD2 ARG 75 -13.040 4.812 4.890 523 HD3 ARG 75 HD1 ARG 75 -11.919 6.156 4.694 524 HE ARG 75 HE ARG 75 -14.416 7.221 5.332 525 HH11 ARG 75 HH11 ARG 75 -12.033 5.151 6.847 526 HH12 ARG 75 HH12 ARG 75 -12.368 5.730 8.450 527 HH21 ARG 75 HH21 ARG 75 -14.863 7.973 7.428 528 HH22 ARG 75 HH22 ARG 75 -13.972 7.338 8.778 529 H GLU 76 HN GLU 76 -15.227 6.994 0.604 530 HA GLU 76 HA GLU 76 -17.039 4.857 0.969 531 HB2 GLU 76 HB2 GLU 76 -17.418 7.668 -0.048 532 HB3 GLU 76 HB1 GLU 76 -18.752 6.540 0.161 533 HG2 GLU 76 HG2 GLU 76 -18.115 6.345 2.561 534 HG3 GLU 76 HG1 GLU 76 -16.931 7.623 2.299 535 H GLY 77 HN GLY 77 -17.760 3.410 -0.440 536 HA2 GLY 77 HA2 GLY 77 -18.311 2.395 -2.423 537 HA3 GLY 77 HA1 GLY 77 -18.247 3.982 -3.179 538 H MET 78 HN MET 78 -15.373 3.134 -1.550 539 HA MET 78 HA MET 78 -14.171 2.372 -4.132 540 HB2 MET 78 HB2 MET 78 -12.985 4.035 -1.904 541 HB3 MET 78 HB1 MET 78 -12.073 3.446 -3.287 542 HG2 MET 78 HG2 MET 78 -14.464 5.276 -3.441 543 HG3 MET 78 HG1 MET 78 -12.779 5.787 -3.548 544 HE1 MET 78 HE1 MET 78 -14.138 6.207 -7.214 545 HE2 MET 78 HE2 MET 78 -13.423 7.023 -5.823 546 HE3 MET 78 HE3 MET 78 -15.078 6.419 -5.739 547 H LEU 79 HN LEU 79 -14.283 1.686 -0.685 548 HA LEU 79 HA LEU 79 -12.533 -0.626 -1.197 549 HB2 LEU 79 HB2 LEU 79 -11.598 1.320 0.210 550 HB3 LEU 79 HB1 LEU 79 -12.736 0.808 1.442 551 HG LEU 79 HG LEU 79 -11.627 -1.389 1.550 552 HD11 LEU 79 HD11 LEU 79 -9.688 -0.178 -0.416 553 HD12 LEU 79 HD12 LEU 79 -10.773 -1.532 -0.723 554 HD13 LEU 79 HD13 LEU 79 -9.463 -1.699 0.441 555 HD21 LEU 79 HD21 LEU 79 -9.501 -0.566 2.550 556 HD22 LEU 79 HD22 LEU 79 -10.934 0.303 3.099 557 HD23 LEU 79 HD23 LEU 79 -9.868 1.030 1.896 558 H PHE 80 HN PHE 80 -13.198 -2.578 -0.369 559 HA PHE 80 HA PHE 80 -15.488 -2.709 1.424 560 HB2 PHE 80 HB2 PHE 80 -16.662 -4.316 -0.126 561 HB3 PHE 80 HB1 PHE 80 -16.633 -2.653 -0.688 562 HD1 PHE 80 HD1 PHE 80 -15.512 -2.047 -2.711 563 HD2 PHE 80 HD2 PHE 80 -15.223 -6.021 -1.198 564 HE1 PHE 80 HE1 PHE 80 -14.560 -2.792 -4.845 565 HE2 PHE 80 HE2 PHE 80 -14.268 -6.764 -3.336 566 HZ PHE 80 HZ PHE 80 -13.934 -5.147 -5.163 567 H ILE 81 HN ILE 81 -15.923 -5.055 2.039 568 HA ILE 81 HA ILE 81 -13.351 -6.306 2.549 569 HB ILE 81 HB ILE 81 -16.116 -6.976 3.554 570 HG12 ILE 81 HG12 ILE 81 -15.084 -4.880 4.425 571 HG13 ILE 81 HG11 ILE 81 -15.355 -6.091 5.670 572 HG21 ILE 81 HG21 ILE 81 -14.835 -9.009 3.445 573 HG22 ILE 81 HG22 ILE 81 -14.968 -8.498 5.126 574 HG23 ILE 81 HG23 ILE 81 -13.467 -8.231 4.240 575 HD11 ILE 81 HD11 ILE 81 -12.994 -6.711 5.561 576 HD12 ILE 81 HD12 ILE 81 -13.223 -5.012 5.977 577 HD13 ILE 81 HD13 ILE 81 -12.732 -5.462 4.344 578 H SER 82 HN SER 82 -12.600 -8.062 1.564 579 HA SER 82 HA SER 82 -14.016 -9.282 -0.592 580 HB2 SER 82 HB2 SER 82 -11.591 -9.131 -0.665 581 HB3 SER 82 HB1 SER 82 -11.456 -10.059 0.826 582 HG SER 82 HG SER 82 -12.005 -10.900 -1.769 583 H LYS 83 HN LYS 83 -15.309 -11.017 -0.552 584 HA LYS 83 HA LYS 83 -16.079 -12.170 1.943 585 HB2 LYS 83 HB2 LYS 83 -16.798 -12.829 -0.906 586 HB3 LYS 83 HB1 LYS 83 -17.465 -13.686 0.477 587 HG2 LYS 83 HG2 LYS 83 -18.402 -11.587 1.321 588 HG3 LYS 83 HG1 LYS 83 -17.748 -10.741 -0.079 589 HD2 LYS 83 HD2 LYS 83 -19.685 -13.039 -0.265 590 HD3 LYS 83 HD1 LYS 83 -20.174 -11.346 -0.249 591 HE2 LYS 83 HE2 LYS 83 -18.294 -12.566 -2.262 592 HE3 LYS 83 HE1 LYS 83 -20.018 -12.328 -2.528 593 HZ1 LYS 83 HZ1 LYS 83 -18.062 -10.166 -1.958 594 HZ2 LYS 83 HZ2 LYS 83 -19.708 -9.960 -2.274 595 HZ3 LYS 83 HZ3 LYS 83 -18.683 -10.541 -3.485 596 H LEU 84 HN LEU 84 -13.852 -13.023 -0.576 597 HA LEU 84 HA LEU 84 -13.500 -15.715 0.425 598 HB2 LEU 84 HB2 LEU 84 -12.041 -14.175 -1.710 599 HB3 LEU 84 HB1 LEU 84 -11.732 -15.854 -1.314 600 HG LEU 84 HG LEU 84 -14.286 -14.722 -2.467 601 HD11 LEU 84 HD11 LEU 84 -12.482 -14.890 -4.081 602 HD12 LEU 84 HD12 LEU 84 -13.716 -16.106 -4.402 603 HD13 LEU 84 HD13 LEU 84 -12.203 -16.568 -3.621 604 HD21 LEU 84 HD21 LEU 84 -14.852 -16.509 -0.956 605 HD22 LEU 84 HD22 LEU 84 -13.594 -17.536 -1.639 606 HD23 LEU 84 HD23 LEU 84 -14.994 -17.092 -2.613 607 H ASP 85 HN ASP 85 -11.508 -12.778 0.146 608 HA ASP 85 HA ASP 85 -9.382 -14.027 1.667 609 HB2 ASP 85 HB2 ASP 85 -9.638 -11.341 0.328 610 HB3 ASP 85 HB1 ASP 85 -8.268 -11.747 1.352 611 H GLY 86 HN GLY 86 -11.984 -11.844 2.263 612 HA2 GLY 86 HA2 GLY 86 -12.751 -10.960 4.254 613 HA3 GLY 86 HA1 GLY 86 -11.438 -11.786 5.082 614 H ARG 87 HN ARG 87 -9.964 -10.223 2.701 615 HA ARG 87 HA ARG 87 -9.111 -8.062 4.447 616 HB2 ARG 87 HB2 ARG 87 -8.061 -8.952 1.754 617 HB3 ARG 87 HB1 ARG 87 -7.304 -7.775 2.810 618 HG2 ARG 87 HG2 ARG 87 -7.683 -10.696 3.425 619 HG3 ARG 87 HG1 ARG 87 -6.182 -9.934 2.906 620 HD2 ARG 87 HD2 ARG 87 -5.830 -9.949 5.153 621 HD3 ARG 87 HD1 ARG 87 -6.658 -8.403 5.008 622 HE ARG 87 HE ARG 87 -8.204 -10.819 5.636 623 HH11 ARG 87 HH11 ARG 87 -7.031 -7.641 6.577 624 HH12 ARG 87 HH12 ARG 87 -8.007 -7.589 8.013 625 HH21 ARG 87 HH21 ARG 87 -9.468 -10.730 7.526 626 HH22 ARG 87 HH22 ARG 87 -9.393 -9.332 8.549 627 H LEU 88 HN LEU 88 -9.015 -5.875 3.733 628 HA LEU 88 HA LEU 88 -11.261 -4.951 2.294 629 HB2 LEU 88 HB2 LEU 88 -8.696 -3.591 3.103 630 HB3 LEU 88 HB1 LEU 88 -10.035 -2.755 2.351 631 HG LEU 88 HG LEU 88 -10.439 -4.285 4.893 632 HD11 LEU 88 HD11 LEU 88 -9.520 -1.422 4.650 633 HD12 LEU 88 HD12 LEU 88 -8.556 -2.762 5.268 634 HD13 LEU 88 HD13 LEU 88 -9.998 -2.238 6.139 635 HD21 LEU 88 HD21 LEU 88 -12.408 -3.530 3.650 636 HD22 LEU 88 HD22 LEU 88 -11.789 -1.879 3.671 637 HD23 LEU 88 HD23 LEU 88 -12.247 -2.668 5.180 638 H SER 89 HN SER 89 -11.583 -4.783 0.182 639 HA SER 89 HA SER 89 -9.241 -4.789 -1.604 640 HB2 SER 89 HB2 SER 89 -10.584 -6.913 -1.628 641 HB3 SER 89 HB1 SER 89 -11.967 -5.977 -2.190 642 HG SER 89 HG SER 89 -9.647 -6.736 -3.534 643 H CYS 90 HN CYS 90 -9.177 -3.217 -3.131 644 HA CYS 90 HA CYS 90 -11.159 -1.117 -2.976 645 HB2 CYS 90 HB2 CYS 90 -9.625 0.206 -4.293 646 HB3 CYS 90 HB1 CYS 90 -8.693 -0.640 -3.058 647 H THR 91 HN THR 91 -11.925 -0.093 -5.036 648 HA THR 91 HA THR 91 -13.354 -2.028 -6.546 649 HB THR 91 HB THR 91 -14.047 0.100 -7.844 650 HG1 THR 91 HG1 THR 91 -13.137 1.906 -7.200 651 HG21 THR 91 HG21 THR 91 -15.579 0.736 -6.034 652 HG22 THR 91 HG22 THR 91 -14.603 -0.187 -4.892 653 HG23 THR 91 HG23 THR 91 -15.455 -1.015 -6.195 654 H GLU 92 HN GLU 92 -10.224 -1.169 -6.883 655 HA GLU 92 HA GLU 92 -10.180 -1.170 -9.788 656 HB2 GLU 92 HB2 GLU 92 -7.932 -1.174 -7.763 657 HB3 GLU 92 HB1 GLU 92 -7.716 -1.072 -9.504 658 HG2 GLU 92 HG2 GLU 92 -9.212 0.944 -7.842 659 HG3 GLU 92 HG1 GLU 92 -7.532 1.103 -8.350 660 H HIS 93 HN HIS 93 -10.704 -3.443 -7.542 661 HA HIS 93 HA HIS 93 -9.266 -5.535 -9.038 662 HB2 HIS 93 HB2 HIS 93 -10.235 -5.695 -6.177 663 HB3 HIS 93 HB1 HIS 93 -9.305 -6.913 -7.034 664 HD1 HIS 93 HD1 HIS 93 -7.359 -4.393 -8.148 665 HD2 HIS 93 HD2 HIS 93 -8.199 -5.673 -4.292 666 HE1 HIS 93 HE1 HIS 93 -5.452 -3.582 -6.691 667 H ASP 94 HN ASP 94 -10.851 -6.027 -10.510 668 HA ASP 94 HA ASP 94 -13.392 -6.989 -9.395 669 HB2 ASP 94 HB2 ASP 94 -12.707 -6.185 -12.231 670 HB3 ASP 94 HB1 ASP 94 -14.240 -6.900 -11.746 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 2.789 -10.898 7.121 2 H2 GLY 1 HT2 GLY 1 4.146 -11.900 7.014 3 H3 GLY 1 HT3 GLY 1 4.258 -10.274 6.561 4 HA2 GLY 1 HA1 GLY 1 3.741 -11.281 9.304 5 HA3 GLY 1 HA2 GLY 1 5.269 -10.638 8.725 6 H ALA 2 HN ALA 2 3.287 -9.766 10.847 7 HA ALA 2 HA ALA 2 2.490 -7.146 9.836 8 HB1 ALA 2 HB1 ALA 2 1.263 -6.910 11.925 9 HB2 ALA 2 HB2 ALA 2 1.957 -8.418 12.520 10 HB3 ALA 2 HB3 ALA 2 0.862 -8.435 11.137 11 H MET 3 HN MET 3 5.234 -8.382 10.965 12 HA MET 3 HA MET 3 6.085 -5.831 12.133 13 HB2 MET 3 HB2 MET 3 5.677 -7.410 13.983 14 HB3 MET 3 HB1 MET 3 6.760 -8.572 13.236 15 HG2 MET 3 HG2 MET 3 7.761 -7.347 15.126 16 HG3 MET 3 HG1 MET 3 8.644 -7.149 13.613 17 HE1 MET 3 HE1 MET 3 9.973 -5.095 14.496 18 HE2 MET 3 HE2 MET 3 9.190 -5.264 16.067 19 HE3 MET 3 HE3 MET 3 9.236 -3.693 15.269 20 H GLU 4 HN GLU 4 8.570 -5.748 12.163 21 HA GLU 4 HA GLU 4 10.586 -5.849 11.108 22 HB2 GLU 4 HB2 GLU 4 9.559 -8.427 9.915 23 HB3 GLU 4 HB1 GLU 4 11.226 -7.885 9.908 24 HG2 GLU 4 HG2 GLU 4 11.329 -8.095 12.314 25 HG3 GLU 4 HG1 GLU 4 9.627 -8.562 12.360 26 H ARG 5 HN ARG 5 11.348 -6.610 8.609 27 HA ARG 5 HA ARG 5 9.609 -5.055 6.831 28 HB2 ARG 5 HB2 ARG 5 12.478 -5.958 6.479 29 HB3 ARG 5 HB1 ARG 5 11.566 -5.010 5.313 30 HG2 ARG 5 HG2 ARG 5 11.414 -3.171 6.882 31 HG3 ARG 5 HG1 ARG 5 12.244 -4.128 8.111 32 HD2 ARG 5 HD2 ARG 5 13.403 -3.324 5.448 33 HD3 ARG 5 HD1 ARG 5 13.740 -2.529 6.982 34 HE ARG 5 HE ARG 5 14.565 -4.875 7.652 35 HH11 ARG 5 HH11 ARG 5 14.835 -3.499 4.444 36 HH12 ARG 5 HH12 ARG 5 16.279 -4.372 4.054 37 HH21 ARG 5 HH21 ARG 5 16.473 -6.027 7.138 38 HH22 ARG 5 HH22 ARG 5 17.219 -5.804 5.585 39 H GLU 6 HN GLU 6 8.309 -6.188 5.528 40 HA GLU 6 HA GLU 6 8.456 -9.015 5.325 41 HB2 GLU 6 HB2 GLU 6 6.388 -7.558 5.128 42 HB3 GLU 6 HB1 GLU 6 6.935 -7.131 3.515 43 HG2 GLU 6 HG2 GLU 6 6.539 -9.251 2.679 44 HG3 GLU 6 HG1 GLU 6 6.558 -9.995 4.278 45 H ASP 7 HN ASP 7 8.979 -10.279 3.438 46 HA ASP 7 HA ASP 7 10.995 -8.903 1.803 47 HB2 ASP 7 HB2 ASP 7 10.865 -11.758 2.753 48 HB3 ASP 7 HB1 ASP 7 11.946 -11.240 1.466 49 H GLU 8 HN GLU 8 8.531 -8.572 0.887 50 HA GLU 8 HA GLU 8 8.811 -9.682 -1.738 51 HB2 GLU 8 HB2 GLU 8 7.501 -11.457 -0.595 52 HB3 GLU 8 HB1 GLU 8 6.273 -10.262 -0.201 53 HG2 GLU 8 HG2 GLU 8 5.960 -9.866 -2.634 54 HG3 GLU 8 HG1 GLU 8 7.076 -11.196 -2.948 55 H CYS 9 HN CYS 9 7.768 -8.411 -3.291 56 HA CYS 9 HA CYS 9 6.942 -5.799 -2.357 57 HB2 CYS 9 HB2 CYS 9 8.340 -5.936 -4.360 58 HB3 CYS 9 HB1 CYS 9 7.138 -6.969 -5.139 59 H PHE 10 HN PHE 10 4.897 -5.443 -1.779 60 HA PHE 10 HA PHE 10 2.833 -7.315 -2.365 61 HB2 PHE 10 HB2 PHE 10 2.979 -5.885 -0.293 62 HB3 PHE 10 HB1 PHE 10 2.495 -4.509 -1.278 63 HD1 PHE 10 HD1 PHE 10 0.270 -3.947 -1.273 64 HD2 PHE 10 HD2 PHE 10 1.366 -7.997 -0.545 65 HE1 PHE 10 HE1 PHE 10 -2.089 -4.516 -0.883 66 HE2 PHE 10 HE2 PHE 10 -0.994 -8.568 -0.156 67 HZ PHE 10 HZ PHE 10 -2.723 -6.827 -0.319 68 H SER 11 HN SER 11 4.106 -4.657 -4.069 69 HA SER 11 HA SER 11 1.745 -4.011 -5.558 70 HB2 SER 11 HB2 SER 11 4.609 -3.408 -6.308 71 HB3 SER 11 HB1 SER 11 3.159 -2.562 -6.848 72 HG SER 11 HG SER 11 3.334 -1.353 -5.153 73 H CYS 12 HN CYS 12 4.486 -6.191 -5.997 74 HA CYS 12 HA CYS 12 3.463 -6.829 -8.690 75 HB2 CYS 12 HB2 CYS 12 6.292 -7.160 -7.682 76 HB3 CYS 12 HB1 CYS 12 5.728 -7.411 -9.334 77 H GLY 13 HN GLY 13 4.412 -8.166 -5.607 78 HA2 GLY 13 HA2 GLY 13 3.818 -10.296 -4.815 79 HA3 GLY 13 HA1 GLY 13 3.469 -10.791 -6.468 80 H ASP 14 HN ASP 14 6.367 -9.220 -6.478 81 HA ASP 14 HA ASP 14 7.843 -11.757 -6.340 82 HB2 ASP 14 HB2 ASP 14 8.238 -9.294 -8.023 83 HB3 ASP 14 HB1 ASP 14 9.550 -10.437 -7.763 84 H ALA 15 HN ALA 15 10.021 -11.688 -5.544 85 HA ALA 15 HA ALA 15 10.440 -9.548 -3.570 86 HB1 ALA 15 HB1 ALA 15 9.974 -11.714 -2.540 87 HB2 ALA 15 HB2 ALA 15 11.616 -11.169 -2.198 88 HB3 ALA 15 HB3 ALA 15 11.337 -12.418 -3.412 89 H GLY 16 HN GLY 16 12.698 -9.022 -3.104 90 HA2 GLY 16 HA2 GLY 16 14.994 -9.720 -4.256 91 HA3 GLY 16 HA1 GLY 16 14.190 -8.912 -5.593 92 H GLN 17 HN GLN 17 14.900 -6.903 -5.839 93 HA GLN 17 HA GLN 17 16.173 -5.467 -3.708 94 HB2 GLN 17 HB2 GLN 17 16.911 -5.288 -6.066 95 HB3 GLN 17 HB1 GLN 17 15.388 -4.506 -6.464 96 HG2 GLN 17 HG2 GLN 17 15.934 -2.666 -4.964 97 HG3 GLN 17 HG1 GLN 17 17.457 -3.452 -4.552 98 HE21 GLN 17 HE21 GLN 17 15.701 -1.692 -6.968 99 HE22 GLN 17 HE22 GLN 17 17.055 -1.361 -7.996 100 H LEU 18 HN LEU 18 14.718 -5.031 -2.115 101 HA LEU 18 HA LEU 18 12.284 -3.584 -2.894 102 HB2 LEU 18 HB2 LEU 18 12.769 -5.337 -0.488 103 HB3 LEU 18 HB1 LEU 18 11.268 -4.508 -0.863 104 HG LEU 18 HG LEU 18 12.465 -6.515 -2.743 105 HD11 LEU 18 HD11 LEU 18 10.987 -8.188 -1.804 106 HD12 LEU 18 HD12 LEU 18 10.448 -7.049 -0.575 107 HD13 LEU 18 HD13 LEU 18 12.116 -7.614 -0.581 108 HD21 LEU 18 HD21 LEU 18 10.784 -4.989 -3.629 109 HD22 LEU 18 HD22 LEU 18 9.668 -5.490 -2.360 110 HD23 LEU 18 HD23 LEU 18 10.197 -6.650 -3.577 111 H VAL 19 HN VAL 19 11.752 -1.732 -1.904 112 HA VAL 19 HA VAL 19 13.589 -0.667 0.133 113 HB VAL 19 HB VAL 19 13.661 0.717 -1.839 114 HG11 VAL 19 HG11 VAL 19 10.656 0.846 -1.647 115 HG12 VAL 19 HG12 VAL 19 11.612 0.102 -2.930 116 HG13 VAL 19 HG13 VAL 19 11.640 1.851 -2.711 117 HG21 VAL 19 HG21 VAL 19 12.898 2.876 -0.941 118 HG22 VAL 19 HG22 VAL 19 13.747 1.909 0.264 119 HG23 VAL 19 HG23 VAL 19 11.988 2.020 0.305 120 H SER 20 HN SER 20 12.765 -0.163 2.091 121 HA SER 20 HA SER 20 9.944 -0.872 2.459 122 HB2 SER 20 HB2 SER 20 11.725 -2.228 3.617 123 HB3 SER 20 HB1 SER 20 12.098 -0.797 4.576 124 HG SER 20 HG SER 20 9.582 -2.125 4.457 125 H CYS 21 HN CYS 21 8.810 0.169 4.219 126 HA CYS 21 HA CYS 21 8.820 3.004 3.927 127 HB2 CYS 21 HB2 CYS 21 6.873 1.324 4.357 128 HB3 CYS 21 HB1 CYS 21 7.323 1.492 6.053 129 H LYS 22 HN LYS 22 9.430 4.575 5.429 130 HA LYS 22 HA LYS 22 11.422 3.671 7.344 131 HB2 LYS 22 HB2 LYS 22 11.788 5.531 5.645 132 HB3 LYS 22 HB1 LYS 22 10.720 6.517 6.634 133 HG2 LYS 22 HG2 LYS 22 12.239 6.292 8.520 134 HG3 LYS 22 HG1 LYS 22 13.306 5.276 7.551 135 HD2 LYS 22 HD2 LYS 22 13.627 7.142 5.984 136 HD3 LYS 22 HD1 LYS 22 12.592 8.153 6.994 137 HE2 LYS 22 HE2 LYS 22 15.184 6.878 7.855 138 HE3 LYS 22 HE1 LYS 22 14.973 8.569 7.410 139 HZ1 LYS 22 HZ1 LYS 22 14.947 8.290 9.799 140 HZ2 LYS 22 HZ2 LYS 22 13.660 7.202 9.694 141 HZ3 LYS 22 HZ3 LYS 22 13.435 8.817 9.257 142 H LYS 23 HN LYS 23 8.359 3.638 7.659 143 HA LYS 23 HA LYS 23 8.259 5.033 10.241 144 HB2 LYS 23 HB2 LYS 23 6.574 5.822 8.627 145 HB3 LYS 23 HB1 LYS 23 5.964 4.180 8.469 146 HG2 LYS 23 HG2 LYS 23 5.375 4.198 10.864 147 HG3 LYS 23 HG1 LYS 23 5.906 5.875 10.956 148 HD2 LYS 23 HD2 LYS 23 3.653 4.789 9.269 149 HD3 LYS 23 HD1 LYS 23 3.498 5.773 10.724 150 HE2 LYS 23 HE2 LYS 23 4.642 7.621 9.593 151 HE3 LYS 23 HE1 LYS 23 4.791 6.641 8.137 152 HZ1 LYS 23 HZ1 LYS 23 2.312 6.498 8.155 153 HZ2 LYS 23 HZ2 LYS 23 2.941 8.038 7.840 154 HZ3 LYS 23 HZ3 LYS 23 2.307 7.675 9.371 155 HA PRO 24 HA PRO 24 8.260 0.895 12.070 156 HB2 PRO 24 HB2 PRO 24 7.379 2.548 14.382 157 HB3 PRO 24 HB1 PRO 24 8.659 1.334 14.295 158 HG2 PRO 24 HG2 PRO 24 9.256 3.923 14.378 159 HG3 PRO 24 HG1 PRO 24 10.176 2.808 13.348 160 HD2 PRO 24 HD2 PRO 24 8.063 4.789 12.582 161 HD3 PRO 24 HD1 PRO 24 9.552 4.337 11.723 162 H GLY 25 HN GLY 25 6.594 -0.517 12.282 163 HA2 GLY 25 HA2 GLY 25 4.353 -1.087 12.926 164 HA3 GLY 25 HA1 GLY 25 3.883 0.584 12.613 165 H CYS 26 HN CYS 26 5.612 0.407 10.101 166 HA CYS 26 HA CYS 26 3.596 -0.903 8.411 167 HB2 CYS 26 HB2 CYS 26 4.292 1.566 8.134 168 HB3 CYS 26 HB1 CYS 26 5.809 0.937 7.497 169 HA PRO 27 HA PRO 27 6.996 -3.855 7.962 170 HB2 PRO 27 HB2 PRO 27 5.507 -6.054 7.691 171 HB3 PRO 27 HB1 PRO 27 5.625 -5.234 9.254 172 HG2 PRO 27 HG2 PRO 27 3.411 -5.196 7.248 173 HG3 PRO 27 HG1 PRO 27 3.322 -5.205 9.024 174 HD2 PRO 27 HD2 PRO 27 3.096 -2.941 7.372 175 HD3 PRO 27 HD1 PRO 27 3.393 -2.936 9.125 176 H LYS 28 HN LYS 28 5.071 -2.489 5.715 177 HA LYS 28 HA LYS 28 5.191 -4.551 3.695 178 HB2 LYS 28 HB2 LYS 28 3.478 -2.398 4.209 179 HB3 LYS 28 HB1 LYS 28 4.315 -1.960 2.722 180 HG2 LYS 28 HG2 LYS 28 2.187 -3.165 2.330 181 HG3 LYS 28 HG1 LYS 28 3.594 -3.985 1.647 182 HD2 LYS 28 HD2 LYS 28 3.639 -5.542 3.506 183 HD3 LYS 28 HD1 LYS 28 2.329 -4.670 4.302 184 HE2 LYS 28 HE2 LYS 28 0.766 -5.340 2.681 185 HE3 LYS 28 HE1 LYS 28 2.026 -5.875 1.570 186 HZ1 LYS 28 HZ1 LYS 28 0.923 -7.733 2.678 187 HZ2 LYS 28 HZ2 LYS 28 1.406 -7.134 4.185 188 HZ3 LYS 28 HZ3 LYS 28 2.571 -7.669 3.074 189 H VAL 29 HN VAL 29 6.122 -4.275 1.610 190 HA VAL 29 HA VAL 29 8.242 -2.284 1.375 191 HB VAL 29 HB VAL 29 9.045 -4.423 2.589 192 HG11 VAL 29 HG11 VAL 29 8.982 -5.432 -0.237 193 HG12 VAL 29 HG12 VAL 29 8.043 -6.048 1.122 194 HG13 VAL 29 HG13 VAL 29 9.799 -6.212 1.117 195 HG21 VAL 29 HG21 VAL 29 10.603 -2.797 1.937 196 HG22 VAL 29 HG22 VAL 29 10.446 -3.220 0.236 197 HG23 VAL 29 HG23 VAL 29 11.218 -4.343 1.357 198 H TYR 30 HN TYR 30 9.095 -2.137 -0.803 199 HA TYR 30 HA TYR 30 7.589 -3.502 -2.909 200 HB2 TYR 30 HB2 TYR 30 7.695 -0.489 -2.930 201 HB3 TYR 30 HB1 TYR 30 6.653 -1.555 -3.867 202 HD1 TYR 30 HD1 TYR 30 4.726 -2.696 -2.717 203 HD2 TYR 30 HD2 TYR 30 7.027 0.335 -0.815 204 HE1 TYR 30 HE1 TYR 30 2.939 -2.383 -1.057 205 HE2 TYR 30 HE2 TYR 30 5.250 0.647 0.848 206 HH TYR 30 HH TYR 30 2.823 0.264 1.043 207 H HIS 31 HN HIS 31 8.468 -2.810 -5.100 208 HA HIS 31 HA HIS 31 11.354 -2.538 -4.991 209 HB2 HIS 31 HB2 HIS 31 9.549 -2.585 -7.430 210 HB3 HIS 31 HB1 HIS 31 11.304 -2.751 -7.429 211 HD2 HIS 31 HD2 HIS 31 12.019 -5.157 -5.749 212 HE1 HIS 31 HE1 HIS 31 8.631 -7.138 -7.322 213 HE2 HIS 31 HE2 HIS 31 10.975 -7.444 -6.396 214 H ALA 32 HN ALA 32 12.505 -0.754 -5.602 215 HA ALA 32 HA ALA 32 11.278 1.771 -5.406 216 HB1 ALA 32 HB1 ALA 32 13.995 1.066 -6.503 217 HB2 ALA 32 HB2 ALA 32 13.614 1.379 -4.809 218 HB3 ALA 32 HB3 ALA 32 13.463 2.671 -5.999 219 H ASP 33 HN ASP 33 12.086 -0.302 -8.090 220 HA ASP 33 HA ASP 33 11.776 1.634 -10.131 221 HB2 ASP 33 HB2 ASP 33 12.993 -0.451 -10.531 222 HB3 ASP 33 HB1 ASP 33 11.504 -1.368 -10.332 223 H CYS 34 HN CYS 34 9.475 -0.737 -8.756 224 HA CYS 34 HA CYS 34 7.438 0.001 -10.628 225 HB2 CYS 34 HB2 CYS 34 5.926 -1.358 -9.094 226 HB3 CYS 34 HB1 CYS 34 7.295 -2.231 -9.771 227 H LEU 35 HN LEU 35 8.569 1.271 -7.673 228 HA LEU 35 HA LEU 35 6.199 2.867 -7.184 229 HB2 LEU 35 HB2 LEU 35 8.944 2.890 -5.942 230 HB3 LEU 35 HB1 LEU 35 7.626 3.924 -5.432 231 HG LEU 35 HG LEU 35 7.534 0.912 -5.329 232 HD11 LEU 35 HD11 LEU 35 8.366 2.969 -3.320 233 HD12 LEU 35 HD12 LEU 35 9.202 1.492 -3.800 234 HD13 LEU 35 HD13 LEU 35 7.733 1.403 -2.829 235 HD21 LEU 35 HD21 LEU 35 5.640 1.341 -3.800 236 HD22 LEU 35 HD22 LEU 35 5.338 1.922 -5.436 237 HD23 LEU 35 HD23 LEU 35 5.773 3.060 -4.162 238 H ASN 36 HN ASN 36 8.674 2.967 -9.333 239 HA ASN 36 HA ASN 36 9.587 4.482 -10.728 240 HB2 ASN 36 HB2 ASN 36 7.109 4.976 -11.054 241 HB3 ASN 36 HB1 ASN 36 7.336 6.342 -9.971 242 HD21 ASN 36 HD21 ASN 36 8.197 8.198 -10.760 243 HD22 ASN 36 HD22 ASN 36 8.729 8.407 -12.391 244 H LEU 37 HN LEU 37 10.649 4.376 -8.184 245 HA LEU 37 HA LEU 37 11.071 7.074 -7.243 246 HB2 LEU 37 HB2 LEU 37 12.289 4.440 -6.441 247 HB3 LEU 37 HB1 LEU 37 12.721 5.969 -5.702 248 HG LEU 37 HG LEU 37 10.006 4.646 -5.614 249 HD11 LEU 37 HD11 LEU 37 11.718 3.602 -4.186 250 HD12 LEU 37 HD12 LEU 37 10.450 4.386 -3.246 251 HD13 LEU 37 HD13 LEU 37 12.019 5.166 -3.431 252 HD21 LEU 37 HD21 LEU 37 9.784 7.070 -5.704 253 HD22 LEU 37 HD22 LEU 37 10.939 7.233 -4.380 254 HD23 LEU 37 HD23 LEU 37 9.379 6.459 -4.101 255 H THR 38 HN THR 38 11.877 7.850 -9.326 256 HA THR 38 HA THR 38 14.383 7.022 -10.351 257 HB THR 38 HB THR 38 13.142 9.768 -10.593 258 HG1 THR 38 HG1 THR 38 12.348 7.300 -11.573 259 HG21 THR 38 HG21 THR 38 14.936 8.202 -12.452 260 HG22 THR 38 HG22 THR 38 15.440 9.557 -11.442 261 HG23 THR 38 HG23 THR 38 14.287 9.814 -12.750 262 H LYS 39 HN LYS 39 13.374 9.283 -7.893 263 HA LYS 39 HA LYS 39 16.160 9.971 -7.295 264 HB2 LYS 39 HB2 LYS 39 13.593 11.144 -6.193 265 HB3 LYS 39 HB1 LYS 39 15.214 11.682 -5.788 266 HG2 LYS 39 HG2 LYS 39 13.979 11.818 -8.534 267 HG3 LYS 39 HG1 LYS 39 14.097 13.162 -7.396 268 HD2 LYS 39 HD2 LYS 39 16.599 12.791 -7.419 269 HD3 LYS 39 HD1 LYS 39 16.339 11.688 -8.770 270 HE2 LYS 39 HE2 LYS 39 15.608 14.617 -8.687 271 HE3 LYS 39 HE1 LYS 39 16.955 13.903 -9.569 272 HZ1 LYS 39 HZ1 LYS 39 15.392 12.691 -10.934 273 HZ2 LYS 39 HZ2 LYS 39 15.053 14.345 -11.002 274 HZ3 LYS 39 HZ3 LYS 39 14.083 13.324 -10.068 275 H ARG 40 HN ARG 40 16.967 9.637 -5.165 276 HA ARG 40 HA ARG 40 15.665 7.439 -3.770 277 HB2 ARG 40 HB2 ARG 40 18.392 8.693 -3.493 278 HB3 ARG 40 HB1 ARG 40 17.792 7.456 -2.393 279 HG2 ARG 40 HG2 ARG 40 17.561 5.900 -4.244 280 HG3 ARG 40 HG1 ARG 40 18.115 7.141 -5.370 281 HD2 ARG 40 HD2 ARG 40 19.912 5.588 -4.801 282 HD3 ARG 40 HD1 ARG 40 20.270 7.218 -4.240 283 HE ARG 40 HE ARG 40 19.792 6.500 -2.004 284 HH11 ARG 40 HH11 ARG 40 19.934 3.915 -4.361 285 HH12 ARG 40 HH12 ARG 40 20.312 2.695 -3.189 286 HH21 ARG 40 HH21 ARG 40 20.270 4.887 -0.452 287 HH22 ARG 40 HH22 ARG 40 20.486 3.244 -0.964 288 HA PRO 41 HA PRO 41 13.862 10.489 -1.078 289 HB2 PRO 41 HB2 PRO 41 12.513 8.762 0.517 290 HB3 PRO 41 HB1 PRO 41 11.960 9.214 -1.098 291 HG2 PRO 41 HG2 PRO 41 13.416 6.759 -0.204 292 HG3 PRO 41 HG1 PRO 41 12.062 6.908 -1.343 293 HD2 PRO 41 HD2 PRO 41 14.643 6.621 -2.157 294 HD3 PRO 41 HD1 PRO 41 13.441 7.531 -3.096 295 H ALA 42 HN ALA 42 14.659 11.455 0.663 296 HA ALA 42 HA ALA 42 15.966 9.862 2.746 297 HB1 ALA 42 HB1 ALA 42 17.732 10.709 1.283 298 HB2 ALA 42 HB2 ALA 42 17.807 11.469 2.871 299 HB3 ALA 42 HB3 ALA 42 17.132 12.351 1.502 300 H GLY 43 HN GLY 43 15.273 10.425 4.732 301 HA2 GLY 43 HA2 GLY 43 14.794 12.281 6.301 302 HA3 GLY 43 HA1 GLY 43 13.877 13.019 4.992 303 H LYS 44 HN LYS 44 11.767 12.565 4.817 304 HA LYS 44 HA LYS 44 10.749 10.216 6.274 305 HB2 LYS 44 HB2 LYS 44 9.380 12.893 5.942 306 HB3 LYS 44 HB1 LYS 44 8.662 11.472 6.686 307 HG2 LYS 44 HG2 LYS 44 10.472 11.547 8.399 308 HG3 LYS 44 HG1 LYS 44 10.993 13.081 7.702 309 HD2 LYS 44 HD2 LYS 44 8.259 12.508 8.846 310 HD3 LYS 44 HD1 LYS 44 9.543 13.402 9.660 311 HE2 LYS 44 HE2 LYS 44 9.475 15.118 7.957 312 HE3 LYS 44 HE1 LYS 44 8.280 14.201 7.042 313 HZ1 LYS 44 HZ1 LYS 44 7.287 15.992 8.353 314 HZ2 LYS 44 HZ2 LYS 44 7.859 15.279 9.773 315 HZ3 LYS 44 HZ3 LYS 44 6.712 14.476 8.828 316 H TRP 45 HN TRP 45 10.257 8.782 4.738 317 HA TRP 45 HA TRP 45 8.812 9.755 2.383 318 HB2 TRP 45 HB2 TRP 45 10.916 8.743 1.728 319 HB3 TRP 45 HB1 TRP 45 10.546 7.296 2.663 320 HD1 TRP 45 HD1 TRP 45 9.068 9.227 -0.362 321 HE1 TRP 45 HE1 TRP 45 8.023 7.520 -1.972 322 HE3 TRP 45 HE3 TRP 45 9.868 4.966 2.353 323 HZ2 TRP 45 HZ2 TRP 45 7.592 4.737 -2.079 324 HZ3 TRP 45 HZ3 TRP 45 9.107 2.818 1.417 325 HH2 TRP 45 HH2 TRP 45 7.995 2.707 -0.748 326 H GLU 46 HN GLU 46 6.725 9.450 2.622 327 HA GLU 46 HA GLU 46 5.682 7.229 4.155 328 HB2 GLU 46 HB2 GLU 46 4.294 9.394 2.558 329 HB3 GLU 46 HB1 GLU 46 3.473 8.202 3.556 330 HG2 GLU 46 HG2 GLU 46 5.472 10.194 4.594 331 HG3 GLU 46 HG1 GLU 46 3.725 10.425 4.618 332 H CYS 47 HN CYS 47 5.368 5.264 3.240 333 HA CYS 47 HA CYS 47 5.572 4.770 0.480 334 HB2 CYS 47 HB2 CYS 47 4.908 2.532 0.935 335 HB3 CYS 47 HB1 CYS 47 5.808 3.047 2.353 336 HA PRO 48 HA PRO 48 1.785 6.245 -1.142 337 HB2 PRO 48 HB2 PRO 48 1.258 4.353 -3.074 338 HB3 PRO 48 HB1 PRO 48 2.423 5.671 -3.257 339 HG2 PRO 48 HG2 PRO 48 2.894 2.814 -2.499 340 HG3 PRO 48 HG1 PRO 48 3.820 3.848 -3.603 341 HD2 PRO 48 HD2 PRO 48 4.674 3.360 -1.112 342 HD3 PRO 48 HD1 PRO 48 4.893 4.959 -1.854 343 H TRP 49 HN TRP 49 1.951 3.297 0.466 344 HA TRP 49 HA TRP 49 -0.834 2.577 0.242 345 HB2 TRP 49 HB2 TRP 49 1.284 1.080 0.777 346 HB3 TRP 49 HB1 TRP 49 0.959 1.588 2.436 347 HD1 TRP 49 HD1 TRP 49 -1.785 0.658 -0.130 348 HE1 TRP 49 HE1 TRP 49 -3.038 -1.419 0.752 349 HE3 TRP 49 HE3 TRP 49 1.081 -0.335 3.999 350 HZ2 TRP 49 HZ2 TRP 49 -2.842 -3.218 2.912 351 HZ3 TRP 49 HZ3 TRP 49 0.478 -2.248 5.419 352 HH2 TRP 49 HH2 TRP 49 -1.445 -3.665 4.883 353 H HIS 50 HN HIS 50 0.908 4.929 1.901 354 HA HIS 50 HA HIS 50 -1.259 5.260 3.870 355 HB2 HIS 50 HB2 HIS 50 1.339 6.807 3.717 356 HB3 HIS 50 HB1 HIS 50 0.151 6.853 5.020 357 HD1 HIS 50 HD1 HIS 50 0.024 3.530 4.971 358 HD2 HIS 50 HD2 HIS 50 3.278 6.055 5.522 359 HE1 HIS 50 HE1 HIS 50 1.795 2.167 6.174 360 H GLN 51 HN GLN 51 -0.876 5.944 0.821 361 HA GLN 51 HA GLN 51 -1.715 8.752 1.067 362 HB2 GLN 51 HB2 GLN 51 -0.148 7.517 -1.203 363 HB3 GLN 51 HB1 GLN 51 -0.718 9.180 -1.136 364 HG2 GLN 51 HG2 GLN 51 1.157 7.983 0.879 365 HG3 GLN 51 HG1 GLN 51 1.690 8.848 -0.559 366 HE21 GLN 51 HE21 GLN 51 0.087 9.146 2.545 367 HE22 GLN 51 HE22 GLN 51 0.247 10.861 2.666 368 H CYS 52 HN CYS 52 -3.599 9.247 0.300 369 HA CYS 52 HA CYS 52 -5.384 7.286 -0.686 370 HB2 CYS 52 HB2 CYS 52 -6.098 9.233 0.624 371 HB3 CYS 52 HB1 CYS 52 -5.564 10.304 -0.660 372 H ASP 53 HN ASP 53 -5.682 6.601 -2.710 373 HA ASP 53 HA ASP 53 -3.999 7.456 -4.804 374 HB2 ASP 53 HB2 ASP 53 -4.999 5.174 -4.631 375 HB3 ASP 53 HB1 ASP 53 -6.562 5.861 -5.068 376 H VAL 54 HN VAL 54 -6.999 8.689 -3.696 377 HA VAL 54 HA VAL 54 -7.710 9.830 -6.264 378 HB VAL 54 HB VAL 54 -9.054 10.140 -3.578 379 HG11 VAL 54 HG11 VAL 54 -9.946 10.992 -6.326 380 HG12 VAL 54 HG12 VAL 54 -9.508 12.055 -4.987 381 HG13 VAL 54 HG13 VAL 54 -10.943 11.034 -4.871 382 HG21 VAL 54 HG21 VAL 54 -10.760 8.654 -4.566 383 HG22 VAL 54 HG22 VAL 54 -9.192 7.866 -4.392 384 HG23 VAL 54 HG23 VAL 54 -9.722 8.437 -5.975 385 H CYS 55 HN CYS 55 -6.884 11.136 -3.016 386 HA CYS 55 HA CYS 55 -6.529 13.723 -4.346 387 HB2 CYS 55 HB2 CYS 55 -6.720 14.749 -2.111 388 HB3 CYS 55 HB1 CYS 55 -8.138 13.820 -2.570 389 H GLY 56 HN GLY 56 -4.682 11.212 -3.041 390 HA2 GLY 56 HA2 GLY 56 -2.381 11.021 -2.981 391 HA3 GLY 56 HA1 GLY 56 -2.271 12.699 -3.500 392 H LYS 57 HN LYS 57 -4.274 12.444 -0.831 393 HA LYS 57 HA LYS 57 -2.146 13.464 0.883 394 HB2 LYS 57 HB2 LYS 57 -5.136 13.491 1.306 395 HB3 LYS 57 HB1 LYS 57 -3.942 14.306 2.308 396 HG2 LYS 57 HG2 LYS 57 -3.320 15.731 0.445 397 HG3 LYS 57 HG1 LYS 57 -4.477 14.897 -0.596 398 HD2 LYS 57 HD2 LYS 57 -6.304 15.627 0.861 399 HD3 LYS 57 HD1 LYS 57 -5.143 16.467 1.891 400 HE2 LYS 57 HE2 LYS 57 -4.486 17.850 -0.052 401 HE3 LYS 57 HE1 LYS 57 -5.741 17.061 -1.004 402 HZ1 LYS 57 HZ1 LYS 57 -7.394 17.919 0.531 403 HZ2 LYS 57 HZ2 LYS 57 -6.487 19.184 -0.126 404 HZ3 LYS 57 HZ3 LYS 57 -6.189 18.664 1.453 405 H GLU 58 HN GLU 58 -3.136 12.953 3.360 406 HA GLU 58 HA GLU 58 -2.113 10.421 3.909 407 HB2 GLU 58 HB2 GLU 58 -2.189 12.277 5.526 408 HB3 GLU 58 HB1 GLU 58 -3.937 12.135 5.603 409 HG2 GLU 58 HG2 GLU 58 -3.711 9.886 6.540 410 HG3 GLU 58 HG1 GLU 58 -1.956 10.044 6.473 411 H ALA 59 HN ALA 59 -2.955 8.473 3.707 412 HA ALA 59 HA ALA 59 -5.785 8.126 3.167 413 HB1 ALA 59 HB1 ALA 59 -3.533 6.124 3.252 414 HB2 ALA 59 HB2 ALA 59 -4.178 6.908 1.809 415 HB3 ALA 59 HB3 ALA 59 -5.185 5.794 2.729 416 H ALA 60 HN ALA 60 -7.115 6.685 4.338 417 HA ALA 60 HA ALA 60 -6.262 6.272 7.121 418 HB1 ALA 60 HB1 ALA 60 -8.059 7.915 6.918 419 HB2 ALA 60 HB2 ALA 60 -8.597 6.470 7.771 420 HB3 ALA 60 HB3 ALA 60 -9.058 6.721 6.087 421 H SER 61 HN SER 61 -7.944 4.911 4.351 422 HA SER 61 HA SER 61 -7.930 2.316 5.716 423 HB2 SER 61 HB2 SER 61 -9.779 1.713 4.156 424 HB3 SER 61 HB1 SER 61 -10.188 3.043 5.233 425 HG SER 61 HG SER 61 -10.514 3.114 2.736 426 H PHE 62 HN PHE 62 -7.212 0.509 4.563 427 HA PHE 62 HA PHE 62 -5.560 1.164 2.211 428 HB2 PHE 62 HB2 PHE 62 -4.720 -0.913 4.215 429 HB3 PHE 62 HB1 PHE 62 -3.713 0.060 3.136 430 HD1 PHE 62 HD1 PHE 62 -4.867 -0.372 6.441 431 HD2 PHE 62 HD2 PHE 62 -3.652 2.625 3.675 432 HE1 PHE 62 HE1 PHE 62 -4.444 1.176 8.304 433 HE2 PHE 62 HE2 PHE 62 -3.228 4.175 5.531 434 HZ PHE 62 HZ PHE 62 -3.618 3.451 7.852 435 H CYS 63 HN CYS 63 -5.990 -0.137 0.470 436 HA CYS 63 HA CYS 63 -7.698 -2.404 0.675 437 HB2 CYS 63 HB2 CYS 63 -7.325 -1.058 -1.450 438 HB3 CYS 63 HB1 CYS 63 -5.769 -1.870 -1.596 439 H GLU 64 HN GLU 64 -7.219 -4.376 1.349 440 HA GLU 64 HA GLU 64 -4.440 -4.981 1.984 441 HB2 GLU 64 HB2 GLU 64 -6.945 -6.552 2.588 442 HB3 GLU 64 HB1 GLU 64 -5.347 -6.861 3.249 443 HG2 GLU 64 HG2 GLU 64 -5.385 -4.745 4.424 444 HG3 GLU 64 HG1 GLU 64 -6.937 -4.341 3.695 445 H MET 65 HN MET 65 -5.791 -5.055 -0.768 446 HA MET 65 HA MET 65 -4.716 -7.689 -1.516 447 HB2 MET 65 HB2 MET 65 -7.110 -6.287 -2.724 448 HB3 MET 65 HB1 MET 65 -6.406 -7.794 -3.315 449 HG2 MET 65 HG2 MET 65 -6.996 -8.929 -1.276 450 HG3 MET 65 HG1 MET 65 -7.565 -7.422 -0.557 451 HE1 MET 65 HE1 MET 65 -8.175 -10.128 -3.324 452 HE2 MET 65 HE2 MET 65 -8.123 -8.645 -4.279 453 HE3 MET 65 HE3 MET 65 -9.638 -9.530 -4.106 454 H CYS 66 HN CYS 66 -4.297 -4.409 -1.768 455 HA CYS 66 HA CYS 66 -2.261 -4.686 -3.711 456 HB2 CYS 66 HB2 CYS 66 -3.123 -3.419 -5.532 457 HB3 CYS 66 HB1 CYS 66 -4.376 -4.592 -5.148 458 HA PRO 67 HA PRO 67 -0.855 -1.085 -1.565 459 HB2 PRO 67 HB2 PRO 67 0.313 0.003 -4.042 460 HB3 PRO 67 HB1 PRO 67 1.122 -0.565 -2.579 461 HG2 PRO 67 HG2 PRO 67 1.250 -1.959 -4.848 462 HG3 PRO 67 HG1 PRO 67 1.105 -2.777 -3.278 463 HD2 PRO 67 HD2 PRO 67 -1.057 -2.181 -5.296 464 HD3 PRO 67 HD1 PRO 67 -0.712 -3.706 -4.437 465 H SER 68 HN SER 68 -3.518 -0.782 -3.056 466 HA SER 68 HA SER 68 -3.457 2.107 -3.520 467 HB2 SER 68 HB2 SER 68 -5.725 0.152 -3.988 468 HB3 SER 68 HB1 SER 68 -5.662 1.835 -4.510 469 HG SER 68 HG SER 68 -4.966 -0.111 -5.966 470 H SER 69 HN SER 69 -4.123 3.481 -2.005 471 HA SER 69 HA SER 69 -5.878 2.485 0.134 472 HB2 SER 69 HB2 SER 69 -4.527 4.137 1.605 473 HB3 SER 69 HB1 SER 69 -3.790 2.582 1.209 474 HG SER 69 HG SER 69 -3.345 4.971 -0.272 475 H PHE 70 HN PHE 70 -7.075 4.227 1.281 476 HA PHE 70 HA PHE 70 -7.451 6.631 -0.366 477 HB2 PHE 70 HB2 PHE 70 -9.715 4.862 0.595 478 HB3 PHE 70 HB1 PHE 70 -9.885 6.378 -0.292 479 HD1 PHE 70 HD1 PHE 70 -9.011 6.493 -2.653 480 HD2 PHE 70 HD2 PHE 70 -9.436 2.833 -0.524 481 HE1 PHE 70 HE1 PHE 70 -8.953 5.253 -4.778 482 HE2 PHE 70 HE2 PHE 70 -9.378 1.586 -2.643 483 HZ PHE 70 HZ PHE 70 -9.131 2.797 -4.775 484 H CYS 71 HN CYS 71 -8.385 8.405 0.757 485 HA CYS 71 HA CYS 71 -7.869 8.395 3.598 486 HB2 CYS 71 HB2 CYS 71 -8.320 10.768 3.525 487 HB3 CYS 71 HB1 CYS 71 -7.326 10.357 2.130 488 H LYS 72 HN LYS 72 -9.646 9.528 5.021 489 HA LYS 72 HA LYS 72 -11.834 7.791 5.147 490 HB2 LYS 72 HB2 LYS 72 -11.424 10.515 6.363 491 HB3 LYS 72 HB1 LYS 72 -12.832 9.517 6.706 492 HG2 LYS 72 HG2 LYS 72 -11.353 7.745 7.538 493 HG3 LYS 72 HG1 LYS 72 -9.962 8.783 7.234 494 HD2 LYS 72 HD2 LYS 72 -10.829 10.416 8.831 495 HD3 LYS 72 HD1 LYS 72 -12.229 9.382 9.128 496 HE2 LYS 72 HE2 LYS 72 -10.777 7.625 9.964 497 HE3 LYS 72 HE1 LYS 72 -9.357 8.611 9.620 498 HZ1 LYS 72 HZ1 LYS 72 -11.491 9.228 11.587 499 HZ2 LYS 72 HZ2 LYS 72 -10.192 10.246 11.220 500 HZ3 LYS 72 HZ3 LYS 72 -9.906 8.744 11.939 501 H GLN 73 HN GLN 73 -11.421 10.764 3.416 502 HA GLN 73 HA GLN 73 -14.189 11.202 2.866 503 HB2 GLN 73 HB2 GLN 73 -11.624 12.363 1.895 504 HB3 GLN 73 HB1 GLN 73 -13.089 12.654 0.970 505 HG2 GLN 73 HG2 GLN 73 -12.786 13.284 3.899 506 HG3 GLN 73 HG1 GLN 73 -12.522 14.444 2.596 507 HE21 GLN 73 HE21 GLN 73 -14.874 12.626 4.393 508 HE22 GLN 73 HE22 GLN 73 -16.270 13.437 3.771 509 H HIS 74 HN HIS 74 -11.510 9.715 1.091 510 HA HIS 74 HA HIS 74 -13.338 9.265 -1.155 511 HB2 HIS 74 HB2 HIS 74 -10.321 9.186 -1.037 512 HB3 HIS 74 HB1 HIS 74 -11.275 8.814 -2.478 513 HD2 HIS 74 HD2 HIS 74 -13.363 11.293 -2.305 514 HE1 HIS 74 HE1 HIS 74 -9.876 13.673 -2.309 515 HE2 HIS 74 HE2 HIS 74 -12.355 13.626 -2.819 516 H ARG 75 HN ARG 75 -12.743 7.542 1.435 517 HA ARG 75 HA ARG 75 -12.187 5.020 0.131 518 HB2 ARG 75 HB2 ARG 75 -12.506 4.003 2.336 519 HB3 ARG 75 HB1 ARG 75 -11.350 5.325 2.386 520 HG2 ARG 75 HG2 ARG 75 -13.123 6.788 3.284 521 HG3 ARG 75 HG1 ARG 75 -14.210 5.400 3.308 522 HD2 ARG 75 HD2 ARG 75 -12.735 4.240 4.847 523 HD3 ARG 75 HD1 ARG 75 -11.578 5.565 4.781 524 HE ARG 75 HE ARG 75 -13.936 6.705 5.603 525 HH11 ARG 75 HH11 ARG 75 -11.896 4.104 6.763 526 HH12 ARG 75 HH12 ARG 75 -12.278 4.376 8.431 527 HH21 ARG 75 HH21 ARG 75 -14.444 7.074 7.786 528 HH22 ARG 75 HH22 ARG 75 -13.741 6.072 9.018 529 H GLU 76 HN GLU 76 -14.889 6.959 0.738 530 HA GLU 76 HA GLU 76 -16.879 4.980 1.049 531 HB2 GLU 76 HB2 GLU 76 -17.095 7.777 -0.061 532 HB3 GLU 76 HB1 GLU 76 -18.450 6.777 0.444 533 HG2 GLU 76 HG2 GLU 76 -17.587 6.775 2.729 534 HG3 GLU 76 HG1 GLU 76 -16.238 7.786 2.218 535 H GLY 77 HN GLY 77 -17.626 3.579 -0.403 536 HA2 GLY 77 HA2 GLY 77 -18.331 2.708 -2.408 537 HA3 GLY 77 HA1 GLY 77 -18.164 4.314 -3.103 538 H MET 78 HN MET 78 -15.223 3.871 -1.873 539 HA MET 78 HA MET 78 -14.227 2.766 -4.409 540 HB2 MET 78 HB2 MET 78 -12.779 4.451 -2.344 541 HB3 MET 78 HB1 MET 78 -12.092 3.879 -3.858 542 HG2 MET 78 HG2 MET 78 -14.422 5.781 -3.590 543 HG3 MET 78 HG1 MET 78 -12.766 6.226 -3.996 544 HE1 MET 78 HE1 MET 78 -11.580 5.669 -6.246 545 HE2 MET 78 HE2 MET 78 -12.280 4.674 -7.523 546 HE3 MET 78 HE3 MET 78 -11.841 3.946 -5.978 547 H LEU 79 HN LEU 79 -13.925 2.478 -0.902 548 HA LEU 79 HA LEU 79 -12.595 -0.116 -1.337 549 HB2 LEU 79 HB2 LEU 79 -11.318 1.824 -0.158 550 HB3 LEU 79 HB1 LEU 79 -12.391 1.498 1.193 551 HG LEU 79 HG LEU 79 -11.527 -0.850 1.232 552 HD11 LEU 79 HD11 LEU 79 -10.729 -1.052 -1.033 553 HD12 LEU 79 HD12 LEU 79 -9.385 -1.271 0.084 554 HD13 LEU 79 HD13 LEU 79 -9.575 0.256 -0.778 555 HD21 LEU 79 HD21 LEU 79 -9.665 1.469 1.623 556 HD22 LEU 79 HD22 LEU 79 -9.254 -0.174 2.109 557 HD23 LEU 79 HD23 LEU 79 -10.648 0.636 2.828 558 H PHE 80 HN PHE 80 -13.488 -1.863 -0.282 559 HA PHE 80 HA PHE 80 -15.570 -1.456 1.702 560 HB2 PHE 80 HB2 PHE 80 -17.203 -2.854 0.465 561 HB3 PHE 80 HB1 PHE 80 -16.851 -1.349 -0.367 562 HD1 PHE 80 HD1 PHE 80 -15.607 -1.348 -2.465 563 HD2 PHE 80 HD2 PHE 80 -16.538 -4.991 -0.460 564 HE1 PHE 80 HE1 PHE 80 -15.059 -2.612 -4.499 565 HE2 PHE 80 HE2 PHE 80 -15.999 -6.248 -2.496 566 HZ PHE 80 HZ PHE 80 -15.277 -5.061 -4.526 567 H ILE 81 HN ILE 81 -16.270 -3.570 2.638 568 HA ILE 81 HA ILE 81 -13.947 -5.222 3.040 569 HB ILE 81 HB ILE 81 -16.734 -5.409 4.175 570 HG12 ILE 81 HG12 ILE 81 -15.348 -3.499 4.941 571 HG13 ILE 81 HG11 ILE 81 -15.707 -4.634 6.233 572 HG21 ILE 81 HG21 ILE 81 -14.303 -7.073 4.792 573 HG22 ILE 81 HG22 ILE 81 -15.811 -7.632 4.066 574 HG23 ILE 81 HG23 ILE 81 -15.792 -7.070 5.737 575 HD11 ILE 81 HD11 ILE 81 -13.462 -5.619 5.923 576 HD12 ILE 81 HD12 ILE 81 -13.435 -3.926 6.415 577 HD13 ILE 81 HD13 ILE 81 -13.115 -4.359 4.738 578 H SER 82 HN SER 82 -13.458 -6.986 1.981 579 HA SER 82 HA SER 82 -15.214 -8.010 -0.053 580 HB2 SER 82 HB2 SER 82 -12.811 -7.790 -0.490 581 HB3 SER 82 HB1 SER 82 -12.462 -8.903 0.833 582 HG SER 82 HG SER 82 -13.946 -9.521 -1.514 583 H LYS 83 HN LYS 83 -16.389 -9.815 0.020 584 HA LYS 83 HA LYS 83 -16.861 -11.059 2.548 585 HB2 LYS 83 HB2 LYS 83 -17.916 -11.711 -0.200 586 HB3 LYS 83 HB1 LYS 83 -18.495 -12.426 1.299 587 HG2 LYS 83 HG2 LYS 83 -19.186 -10.207 2.081 588 HG3 LYS 83 HG1 LYS 83 -18.635 -9.510 0.558 589 HD2 LYS 83 HD2 LYS 83 -20.246 -10.914 -0.653 590 HD3 LYS 83 HD1 LYS 83 -20.803 -11.582 0.882 591 HE2 LYS 83 HE2 LYS 83 -20.956 -8.684 0.057 592 HE3 LYS 83 HE1 LYS 83 -22.297 -9.826 0.063 593 HZ1 LYS 83 HZ1 LYS 83 -22.373 -8.486 2.030 594 HZ2 LYS 83 HZ2 LYS 83 -20.777 -8.876 2.428 595 HZ3 LYS 83 HZ3 LYS 83 -21.973 -10.068 2.475 596 H LEU 84 HN LEU 84 -14.444 -11.516 0.367 597 HA LEU 84 HA LEU 84 -14.365 -14.383 0.323 598 HB2 LEU 84 HB2 LEU 84 -12.253 -12.359 -0.388 599 HB3 LEU 84 HB1 LEU 84 -12.157 -14.075 -0.725 600 HG LEU 84 HG LEU 84 -14.176 -12.157 -1.899 601 HD11 LEU 84 HD11 LEU 84 -11.803 -13.530 -3.150 602 HD12 LEU 84 HD12 LEU 84 -11.924 -11.813 -2.767 603 HD13 LEU 84 HD13 LEU 84 -12.979 -12.520 -3.991 604 HD21 LEU 84 HD21 LEU 84 -13.716 -15.096 -2.393 605 HD22 LEU 84 HD22 LEU 84 -14.756 -14.057 -3.366 606 HD23 LEU 84 HD23 LEU 84 -15.146 -14.355 -1.674 607 H ASP 85 HN ASP 85 -12.252 -11.918 1.833 608 HA ASP 85 HA ASP 85 -11.725 -13.869 3.970 609 HB2 ASP 85 HB2 ASP 85 -9.680 -12.173 2.546 610 HB3 ASP 85 HB1 ASP 85 -9.375 -12.931 4.103 611 H GLY 86 HN GLY 86 -13.265 -11.164 3.468 612 HA2 GLY 86 HA2 GLY 86 -14.016 -9.539 4.912 613 HA3 GLY 86 HA1 GLY 86 -13.050 -10.284 6.174 614 H ARG 87 HN ARG 87 -11.507 -9.383 3.248 615 HA ARG 87 HA ARG 87 -9.889 -7.463 4.703 616 HB2 ARG 87 HB2 ARG 87 -9.656 -8.670 1.951 617 HB3 ARG 87 HB1 ARG 87 -8.547 -7.462 2.574 618 HG2 ARG 87 HG2 ARG 87 -8.012 -9.010 4.443 619 HG3 ARG 87 HG1 ARG 87 -9.005 -10.232 3.645 620 HD2 ARG 87 HD2 ARG 87 -7.579 -10.093 1.667 621 HD3 ARG 87 HD1 ARG 87 -6.589 -8.870 2.465 622 HE ARG 87 HE ARG 87 -6.845 -11.401 3.856 623 HH11 ARG 87 HH11 ARG 87 -4.925 -9.409 1.700 624 HH12 ARG 87 HH12 ARG 87 -3.480 -10.338 1.938 625 HH21 ARG 87 HH21 ARG 87 -4.945 -12.600 4.184 626 HH22 ARG 87 HH22 ARG 87 -3.486 -12.145 3.364 627 H LEU 88 HN LEU 88 -9.511 -5.357 4.010 628 HA LEU 88 HA LEU 88 -11.672 -3.991 2.740 629 HB2 LEU 88 HB2 LEU 88 -8.858 -3.129 3.423 630 HB3 LEU 88 HB1 LEU 88 -10.081 -2.055 2.783 631 HG LEU 88 HG LEU 88 -10.618 -3.561 5.305 632 HD11 LEU 88 HD11 LEU 88 -9.665 -1.721 6.586 633 HD12 LEU 88 HD12 LEU 88 -9.117 -0.954 5.097 634 HD13 LEU 88 HD13 LEU 88 -8.426 -2.497 5.600 635 HD21 LEU 88 HD21 LEU 88 -11.470 -0.863 4.254 636 HD22 LEU 88 HD22 LEU 88 -12.003 -1.596 5.767 637 HD23 LEU 88 HD23 LEU 88 -12.442 -2.336 4.228 638 H SER 89 HN SER 89 -12.063 -4.245 0.635 639 HA SER 89 HA SER 89 -9.766 -4.536 -1.185 640 HB2 SER 89 HB2 SER 89 -11.338 -5.857 -2.627 641 HB3 SER 89 HB1 SER 89 -11.038 -6.603 -1.056 642 HG SER 89 HG SER 89 -13.180 -4.864 -1.138 643 H CYS 90 HN CYS 90 -9.639 -3.211 -2.905 644 HA CYS 90 HA CYS 90 -11.424 -0.948 -3.038 645 HB2 CYS 90 HB2 CYS 90 -9.872 -0.045 -4.657 646 HB3 CYS 90 HB1 CYS 90 -8.936 -0.770 -3.350 647 H THR 91 HN THR 91 -12.248 -0.219 -5.224 648 HA THR 91 HA THR 91 -13.916 -2.302 -6.257 649 HB THR 91 HB THR 91 -14.749 -0.407 -7.755 650 HG1 THR 91 HG1 THR 91 -13.144 1.087 -7.703 651 HG21 THR 91 HG21 THR 91 -15.988 0.632 -5.920 652 HG22 THR 91 HG22 THR 91 -14.861 -0.069 -4.760 653 HG23 THR 91 HG23 THR 91 -15.903 -1.117 -5.723 654 H GLU 92 HN GLU 92 -10.920 -2.251 -6.899 655 HA GLU 92 HA GLU 92 -11.198 -2.396 -9.828 656 HB2 GLU 92 HB2 GLU 92 -8.693 -1.977 -8.191 657 HB3 GLU 92 HB1 GLU 92 -8.765 -2.077 -9.943 658 HG2 GLU 92 HG2 GLU 92 -10.280 -0.067 -9.881 659 HG3 GLU 92 HG1 GLU 92 -9.873 0.071 -8.172 660 H HIS 93 HN HIS 93 -11.760 -4.459 -7.693 661 HA HIS 93 HA HIS 93 -9.875 -6.498 -8.680 662 HB2 HIS 93 HB2 HIS 93 -11.021 -6.239 -5.892 663 HB3 HIS 93 HB1 HIS 93 -10.137 -7.646 -6.468 664 HD1 HIS 93 HD1 HIS 93 -8.203 -5.240 -8.009 665 HD2 HIS 93 HD2 HIS 93 -8.822 -6.197 -4.015 666 HE1 HIS 93 HE1 HIS 93 -6.226 -4.301 -6.735 667 H ASP 94 HN ASP 94 -12.135 -6.085 -10.073 668 HA ASP 94 HA ASP 94 -13.690 -8.505 -9.421 669 HB2 ASP 94 HB2 ASP 94 -14.625 -6.029 -10.893 670 HB3 ASP 94 HB1 ASP 94 -15.537 -7.528 -10.807 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 2.086 -11.405 11.809 2 H2 GLY 1 HT2 GLY 1 0.600 -11.761 11.079 3 H3 GLY 1 HT3 GLY 1 0.710 -11.666 12.764 4 HA2 GLY 1 HA1 GLY 1 1.083 -9.419 10.866 5 HA3 GLY 1 HA2 GLY 1 -0.340 -9.690 11.859 6 H ALA 2 HN ALA 2 3.161 -9.827 12.536 7 HA ALA 2 HA ALA 2 2.693 -7.884 14.707 8 HB1 ALA 2 HB1 ALA 2 4.364 -9.050 16.036 9 HB2 ALA 2 HB2 ALA 2 4.595 -10.222 14.739 10 HB3 ALA 2 HB3 ALA 2 3.054 -10.139 15.589 11 H MET 3 HN MET 3 3.276 -6.574 12.614 12 HA MET 3 HA MET 3 4.739 -5.211 11.517 13 HB2 MET 3 HB2 MET 3 6.260 -5.711 14.066 14 HB3 MET 3 HB1 MET 3 6.950 -4.735 12.781 15 HG2 MET 3 HG2 MET 3 5.952 -3.319 14.439 16 HG3 MET 3 HG1 MET 3 5.040 -3.200 12.941 17 HE1 MET 3 HE1 MET 3 5.118 -4.426 16.627 18 HE2 MET 3 HE2 MET 3 4.977 -5.972 15.791 19 HE3 MET 3 HE3 MET 3 3.635 -5.370 16.762 20 H GLU 4 HN GLU 4 4.713 -7.951 10.852 21 HA GLU 4 HA GLU 4 7.481 -8.783 10.515 22 HB2 GLU 4 HB2 GLU 4 4.913 -10.201 9.801 23 HB3 GLU 4 HB1 GLU 4 6.523 -10.905 9.769 24 HG2 GLU 4 HG2 GLU 4 6.714 -10.754 12.134 25 HG3 GLU 4 HG1 GLU 4 5.231 -9.807 12.247 26 H ARG 5 HN ARG 5 8.258 -7.419 8.942 27 HA ARG 5 HA ARG 5 6.967 -6.942 6.459 28 HB2 ARG 5 HB2 ARG 5 8.771 -5.521 7.469 29 HB3 ARG 5 HB1 ARG 5 9.919 -6.798 7.096 30 HG2 ARG 5 HG2 ARG 5 9.141 -6.535 4.672 31 HG3 ARG 5 HG1 ARG 5 8.420 -5.016 5.211 32 HD2 ARG 5 HD2 ARG 5 11.322 -5.810 5.352 33 HD3 ARG 5 HD1 ARG 5 10.608 -4.568 4.327 34 HE ARG 5 HE ARG 5 10.115 -3.331 6.397 35 HH11 ARG 5 HH11 ARG 5 12.605 -5.804 6.450 36 HH12 ARG 5 HH12 ARG 5 13.440 -5.105 7.801 37 HH21 ARG 5 HH21 ARG 5 11.230 -2.418 8.183 38 HH22 ARG 5 HH22 ARG 5 12.667 -3.188 8.774 39 H GLU 6 HN GLU 6 6.757 -8.313 4.780 40 HA GLU 6 HA GLU 6 8.243 -10.808 4.820 41 HB2 GLU 6 HB2 GLU 6 6.863 -11.395 2.831 42 HB3 GLU 6 HB1 GLU 6 5.913 -10.999 4.251 43 HG2 GLU 6 HG2 GLU 6 6.475 -8.938 2.156 44 HG3 GLU 6 HG1 GLU 6 5.173 -10.107 1.955 45 H ASP 7 HN ASP 7 9.749 -11.457 3.300 46 HA ASP 7 HA ASP 7 11.023 -9.354 1.778 47 HB2 ASP 7 HB2 ASP 7 12.373 -11.093 2.931 48 HB3 ASP 7 HB1 ASP 7 11.681 -12.308 1.863 49 H GLU 8 HN GLU 8 8.910 -9.084 0.675 50 HA GLU 8 HA GLU 8 9.028 -10.149 -1.965 51 HB2 GLU 8 HB2 GLU 8 7.919 -12.022 -0.782 52 HB3 GLU 8 HB1 GLU 8 6.692 -10.912 -0.194 53 HG2 GLU 8 HG2 GLU 8 6.033 -10.470 -2.532 54 HG3 GLU 8 HG1 GLU 8 7.195 -11.690 -3.054 55 H CYS 9 HN CYS 9 7.833 -8.846 -3.373 56 HA CYS 9 HA CYS 9 7.071 -6.295 -2.249 57 HB2 CYS 9 HB2 CYS 9 8.328 -6.316 -4.320 58 HB3 CYS 9 HB1 CYS 9 7.116 -7.348 -5.076 59 H PHE 10 HN PHE 10 5.087 -5.821 -1.640 60 HA PHE 10 HA PHE 10 2.919 -7.613 -1.939 61 HB2 PHE 10 HB2 PHE 10 3.148 -6.087 -0.024 62 HB3 PHE 10 HB1 PHE 10 2.950 -4.702 -1.089 63 HD1 PHE 10 HD1 PHE 10 0.870 -3.749 -1.286 64 HD2 PHE 10 HD2 PHE 10 1.171 -7.819 -0.071 65 HE1 PHE 10 HE1 PHE 10 -1.559 -3.819 -0.910 66 HE2 PHE 10 HE2 PHE 10 -1.255 -7.890 0.298 67 HZ PHE 10 HZ PHE 10 -2.623 -5.888 -0.116 68 H SER 11 HN SER 11 4.108 -5.037 -3.892 69 HA SER 11 HA SER 11 1.668 -4.529 -5.302 70 HB2 SER 11 HB2 SER 11 4.474 -3.825 -6.167 71 HB3 SER 11 HB1 SER 11 2.971 -3.043 -6.657 72 HG SER 11 HG SER 11 3.152 -1.823 -4.974 73 H CYS 12 HN CYS 12 4.444 -6.647 -5.778 74 HA CYS 12 HA CYS 12 3.396 -7.329 -8.449 75 HB2 CYS 12 HB2 CYS 12 6.255 -7.557 -7.505 76 HB3 CYS 12 HB1 CYS 12 5.660 -7.839 -9.143 77 H GLY 13 HN GLY 13 4.368 -8.595 -5.368 78 HA2 GLY 13 HA2 GLY 13 3.912 -10.719 -4.525 79 HA3 GLY 13 HA1 GLY 13 3.437 -11.228 -6.140 80 H ASP 14 HN ASP 14 6.424 -9.625 -6.032 81 HA ASP 14 HA ASP 14 7.882 -12.168 -5.937 82 HB2 ASP 14 HB2 ASP 14 7.943 -10.076 -8.088 83 HB3 ASP 14 HB1 ASP 14 9.346 -11.100 -7.798 84 H ALA 15 HN ALA 15 10.152 -11.964 -5.504 85 HA ALA 15 HA ALA 15 10.749 -9.586 -3.880 86 HB1 ALA 15 HB1 ALA 15 12.242 -10.978 -2.580 87 HB2 ALA 15 HB2 ALA 15 11.897 -12.359 -3.622 88 HB3 ALA 15 HB3 ALA 15 10.625 -11.677 -2.610 89 H GLY 16 HN GLY 16 13.003 -8.897 -3.839 90 HA2 GLY 16 HA2 GLY 16 15.196 -9.409 -5.084 91 HA3 GLY 16 HA1 GLY 16 14.189 -9.197 -6.509 92 H GLN 17 HN GLN 17 15.871 -7.636 -3.943 93 HA GLN 17 HA GLN 17 16.416 -5.492 -3.488 94 HB2 GLN 17 HB2 GLN 17 17.168 -5.408 -5.805 95 HB3 GLN 17 HB1 GLN 17 15.541 -5.002 -6.335 96 HG2 GLN 17 HG2 GLN 17 15.660 -2.914 -5.056 97 HG3 GLN 17 HG1 GLN 17 17.304 -3.320 -4.571 98 HE21 GLN 17 HE21 GLN 17 16.101 -4.054 -7.750 99 HE22 GLN 17 HE22 GLN 17 17.042 -2.876 -8.595 100 H LEU 18 HN LEU 18 14.801 -5.342 -1.925 101 HA LEU 18 HA LEU 18 12.371 -3.921 -2.767 102 HB2 LEU 18 HB2 LEU 18 12.829 -5.705 -0.375 103 HB3 LEU 18 HB1 LEU 18 11.343 -4.831 -0.706 104 HG LEU 18 HG LEU 18 12.455 -6.835 -2.646 105 HD11 LEU 18 HD11 LEU 18 12.137 -7.988 -0.532 106 HD12 LEU 18 HD12 LEU 18 10.910 -8.466 -1.703 107 HD13 LEU 18 HD13 LEU 18 10.504 -7.336 -0.414 108 HD21 LEU 18 HD21 LEU 18 10.151 -6.897 -3.419 109 HD22 LEU 18 HD22 LEU 18 10.805 -5.262 -3.489 110 HD23 LEU 18 HD23 LEU 18 9.704 -5.716 -2.191 111 H VAL 19 HN VAL 19 11.806 -2.065 -1.776 112 HA VAL 19 HA VAL 19 13.693 -0.963 0.190 113 HB VAL 19 HB VAL 19 13.646 0.410 -1.780 114 HG11 VAL 19 HG11 VAL 19 11.551 -0.272 -2.769 115 HG12 VAL 19 HG12 VAL 19 11.584 1.483 -2.604 116 HG13 VAL 19 HG13 VAL 19 10.648 0.506 -1.469 117 HG21 VAL 19 HG21 VAL 19 13.787 1.615 0.313 118 HG22 VAL 19 HG22 VAL 19 12.028 1.686 0.420 119 HG23 VAL 19 HG23 VAL 19 12.869 2.556 -0.863 120 H SER 20 HN SER 20 13.001 -0.535 2.174 121 HA SER 20 HA SER 20 10.232 -1.189 2.798 122 HB2 SER 20 HB2 SER 20 11.976 -2.360 4.043 123 HB3 SER 20 HB1 SER 20 12.632 -0.825 4.605 124 HG SER 20 HG SER 20 11.182 -0.797 6.116 125 H CYS 21 HN CYS 21 9.007 0.053 4.257 126 HA CYS 21 HA CYS 21 9.150 2.880 3.749 127 HB2 CYS 21 HB2 CYS 21 7.068 1.320 3.943 128 HB3 CYS 21 HB1 CYS 21 7.270 1.540 5.680 129 H LYS 22 HN LYS 22 9.753 4.475 5.192 130 HA LYS 22 HA LYS 22 11.146 3.545 7.582 131 HB2 LYS 22 HB2 LYS 22 11.157 6.178 6.113 132 HB3 LYS 22 HB1 LYS 22 12.000 5.923 7.634 133 HG2 LYS 22 HG2 LYS 22 13.353 4.175 6.593 134 HG3 LYS 22 HG1 LYS 22 12.504 4.430 5.067 135 HD2 LYS 22 HD2 LYS 22 13.354 6.668 4.901 136 HD3 LYS 22 HD1 LYS 22 14.054 6.570 6.517 137 HE2 LYS 22 HE2 LYS 22 14.870 4.880 4.155 138 HE3 LYS 22 HE1 LYS 22 15.736 6.301 4.737 139 HZ1 LYS 22 HZ1 LYS 22 15.293 3.784 6.250 140 HZ2 LYS 22 HZ2 LYS 22 16.062 5.158 6.860 141 HZ3 LYS 22 HZ3 LYS 22 16.752 4.304 5.580 142 H LYS 23 HN LYS 23 8.116 4.041 7.163 143 HA LYS 23 HA LYS 23 7.724 5.860 9.439 144 HB2 LYS 23 HB2 LYS 23 6.565 6.389 7.260 145 HB3 LYS 23 HB1 LYS 23 5.643 4.905 7.464 146 HG2 LYS 23 HG2 LYS 23 4.622 5.748 9.472 147 HG3 LYS 23 HG1 LYS 23 5.643 7.185 9.432 148 HD2 LYS 23 HD2 LYS 23 4.603 7.812 7.268 149 HD3 LYS 23 HD1 LYS 23 3.526 6.420 7.420 150 HE2 LYS 23 HE2 LYS 23 3.703 8.721 9.368 151 HE3 LYS 23 HE1 LYS 23 2.444 8.502 8.151 152 HZ1 LYS 23 HZ1 LYS 23 1.725 7.754 10.329 153 HZ2 LYS 23 HZ2 LYS 23 3.002 6.652 10.408 154 HZ3 LYS 23 HZ3 LYS 23 1.788 6.455 9.247 155 HA PRO 24 HA PRO 24 6.966 2.271 11.968 156 HB2 PRO 24 HB2 PRO 24 5.377 4.239 13.535 157 HB3 PRO 24 HB1 PRO 24 6.659 3.148 14.071 158 HG2 PRO 24 HG2 PRO 24 7.135 5.743 13.790 159 HG3 PRO 24 HG1 PRO 24 8.347 4.541 13.304 160 HD2 PRO 24 HD2 PRO 24 6.479 6.150 11.594 161 HD3 PRO 24 HD1 PRO 24 8.173 5.698 11.301 162 H GLY 25 HN GLY 25 5.317 0.826 12.344 163 HA2 GLY 25 HA2 GLY 25 3.149 -0.013 12.349 164 HA3 GLY 25 HA1 GLY 25 2.558 1.580 11.885 165 H CYS 26 HN CYS 26 5.113 0.537 9.930 166 HA CYS 26 HA CYS 26 3.230 -0.497 7.914 167 HB2 CYS 26 HB2 CYS 26 4.258 1.893 7.659 168 HB3 CYS 26 HB1 CYS 26 5.726 1.022 7.223 169 HA PRO 27 HA PRO 27 6.469 -3.660 8.130 170 HB2 PRO 27 HB2 PRO 27 4.877 -5.787 8.225 171 HB3 PRO 27 HB1 PRO 27 4.977 -4.696 9.615 172 HG2 PRO 27 HG2 PRO 27 2.831 -4.967 7.564 173 HG3 PRO 27 HG1 PRO 27 2.692 -4.574 9.292 174 HD2 PRO 27 HD2 PRO 27 2.719 -2.742 7.112 175 HD3 PRO 27 HD1 PRO 27 2.787 -2.351 8.846 176 H LYS 28 HN LYS 28 5.204 -2.377 5.636 177 HA LYS 28 HA LYS 28 5.205 -4.742 3.890 178 HB2 LYS 28 HB2 LYS 28 3.447 -2.505 4.063 179 HB3 LYS 28 HB1 LYS 28 4.262 -2.425 2.504 180 HG2 LYS 28 HG2 LYS 28 2.121 -3.665 2.422 181 HG3 LYS 28 HG1 LYS 28 3.508 -4.637 1.928 182 HD2 LYS 28 HD2 LYS 28 3.571 -5.713 4.106 183 HD3 LYS 28 HD1 LYS 28 2.257 -4.683 4.677 184 HE2 LYS 28 HE2 LYS 28 0.708 -5.705 3.195 185 HE3 LYS 28 HE1 LYS 28 1.991 -6.545 2.328 186 HZ1 LYS 28 HZ1 LYS 28 0.776 -8.004 3.857 187 HZ2 LYS 28 HZ2 LYS 28 1.247 -7.041 5.163 188 HZ3 LYS 28 HZ3 LYS 28 2.414 -7.890 4.270 189 H VAL 29 HN VAL 29 6.236 -4.624 1.844 190 HA VAL 29 HA VAL 29 8.327 -2.587 1.584 191 HB VAL 29 HB VAL 29 9.075 -4.757 2.785 192 HG11 VAL 29 HG11 VAL 29 9.017 -5.751 -0.044 193 HG12 VAL 29 HG12 VAL 29 8.069 -6.363 1.310 194 HG13 VAL 29 HG13 VAL 29 9.823 -6.547 1.307 195 HG21 VAL 29 HG21 VAL 29 10.680 -3.154 2.168 196 HG22 VAL 29 HG22 VAL 29 10.549 -3.577 0.464 197 HG23 VAL 29 HG23 VAL 29 11.270 -4.716 1.599 198 H TYR 30 HN TYR 30 9.111 -2.373 -0.613 199 HA TYR 30 HA TYR 30 7.532 -3.716 -2.693 200 HB2 TYR 30 HB2 TYR 30 7.760 -0.700 -2.626 201 HB3 TYR 30 HB1 TYR 30 6.758 -1.683 -3.688 202 HD1 TYR 30 HD1 TYR 30 4.722 -2.814 -2.742 203 HD2 TYR 30 HD2 TYR 30 6.970 0.037 -0.525 204 HE1 TYR 30 HE1 TYR 30 2.811 -2.490 -1.228 205 HE2 TYR 30 HE2 TYR 30 5.070 0.362 0.995 206 HH TYR 30 HH TYR 30 2.342 -1.705 1.005 207 H HIS 31 HN HIS 31 8.363 -3.105 -4.902 208 HA HIS 31 HA HIS 31 11.246 -2.734 -4.921 209 HB2 HIS 31 HB2 HIS 31 9.356 -2.879 -7.292 210 HB3 HIS 31 HB1 HIS 31 11.112 -2.999 -7.345 211 HD2 HIS 31 HD2 HIS 31 11.916 -5.366 -5.622 212 HE1 HIS 31 HE1 HIS 31 8.610 -7.468 -7.240 213 HE2 HIS 31 HE2 HIS 31 10.944 -7.693 -6.256 214 H ALA 32 HN ALA 32 12.274 -0.893 -5.613 215 HA ALA 32 HA ALA 32 10.921 1.573 -5.509 216 HB1 ALA 32 HB1 ALA 32 13.299 1.334 -4.995 217 HB2 ALA 32 HB2 ALA 32 13.028 2.550 -6.242 218 HB3 ALA 32 HB3 ALA 32 13.624 0.950 -6.686 219 H ASP 33 HN ASP 33 11.673 -0.640 -8.071 220 HA ASP 33 HA ASP 33 11.339 1.118 -10.257 221 HB2 ASP 33 HB2 ASP 33 12.515 -1.054 -10.420 222 HB3 ASP 33 HB1 ASP 33 10.975 -1.882 -10.221 223 H CYS 34 HN CYS 34 9.050 -1.161 -8.709 224 HA CYS 34 HA CYS 34 6.969 -0.558 -10.572 225 HB2 CYS 34 HB2 CYS 34 5.517 -1.741 -8.788 226 HB3 CYS 34 HB1 CYS 34 6.764 -2.690 -9.590 227 H LEU 35 HN LEU 35 8.144 0.932 -7.739 228 HA LEU 35 HA LEU 35 5.763 2.538 -7.335 229 HB2 LEU 35 HB2 LEU 35 8.515 2.686 -6.112 230 HB3 LEU 35 HB1 LEU 35 7.157 3.685 -5.635 231 HG LEU 35 HG LEU 35 7.156 0.678 -5.423 232 HD11 LEU 35 HD11 LEU 35 7.448 1.188 -2.965 233 HD12 LEU 35 HD12 LEU 35 7.954 2.802 -3.464 234 HD13 LEU 35 HD13 LEU 35 8.872 1.391 -3.982 235 HD21 LEU 35 HD21 LEU 35 5.298 1.098 -3.866 236 HD22 LEU 35 HD22 LEU 35 4.941 1.664 -5.498 237 HD23 LEU 35 HD23 LEU 35 5.392 2.818 -4.242 238 H ASN 36 HN ASN 36 8.248 2.492 -9.492 239 HA ASN 36 HA ASN 36 9.007 3.895 -11.085 240 HB2 ASN 36 HB2 ASN 36 6.534 5.361 -10.234 241 HB3 ASN 36 HB1 ASN 36 7.626 6.067 -11.416 242 HD21 ASN 36 HD21 ASN 36 7.148 2.622 -11.212 243 HD22 ASN 36 HD22 ASN 36 6.261 2.463 -12.685 244 H LEU 37 HN LEU 37 10.135 3.999 -8.490 245 HA LEU 37 HA LEU 37 10.659 6.769 -7.885 246 HB2 LEU 37 HB2 LEU 37 11.789 4.214 -6.764 247 HB3 LEU 37 HB1 LEU 37 12.230 5.809 -6.189 248 HG LEU 37 HG LEU 37 9.467 4.587 -6.055 249 HD11 LEU 37 HD11 LEU 37 11.112 3.589 -4.503 250 HD12 LEU 37 HD12 LEU 37 9.831 4.472 -3.674 251 HD13 LEU 37 HD13 LEU 37 11.429 5.194 -3.849 252 HD21 LEU 37 HD21 LEU 37 10.506 7.215 -5.004 253 HD22 LEU 37 HD22 LEU 37 8.904 6.541 -4.700 254 HD23 LEU 37 HD23 LEU 37 9.370 7.003 -6.336 255 H THR 38 HN THR 38 11.477 7.103 -10.173 256 HA THR 38 HA THR 38 14.047 6.158 -10.889 257 HB THR 38 HB THR 38 12.823 8.804 -11.700 258 HG1 THR 38 HG1 THR 38 12.173 6.173 -12.352 259 HG21 THR 38 HG21 THR 38 15.172 8.521 -12.320 260 HG22 THR 38 HG22 THR 38 14.136 8.473 -13.745 261 HG23 THR 38 HG23 THR 38 14.792 6.976 -13.083 262 H LYS 39 HN LYS 39 12.888 8.830 -8.938 263 HA LYS 39 HA LYS 39 15.613 9.675 -8.338 264 HB2 LYS 39 HB2 LYS 39 13.953 11.440 -8.677 265 HB3 LYS 39 HB1 LYS 39 12.945 10.756 -7.411 266 HG2 LYS 39 HG2 LYS 39 14.795 11.180 -5.799 267 HG3 LYS 39 HG1 LYS 39 15.657 12.016 -7.088 268 HD2 LYS 39 HD2 LYS 39 14.618 13.760 -5.990 269 HD3 LYS 39 HD1 LYS 39 13.479 13.415 -7.287 270 HE2 LYS 39 HE2 LYS 39 13.244 12.304 -4.492 271 HE3 LYS 39 HE1 LYS 39 12.445 13.776 -5.031 272 HZ1 LYS 39 HZ1 LYS 39 11.336 12.404 -6.759 273 HZ2 LYS 39 HZ2 LYS 39 10.904 11.994 -5.178 274 HZ3 LYS 39 HZ3 LYS 39 11.987 11.022 -6.033 275 H ARG 40 HN ARG 40 16.620 8.417 -6.910 276 HA ARG 40 HA ARG 40 15.354 6.674 -5.105 277 HB2 ARG 40 HB2 ARG 40 17.664 6.378 -5.915 278 HB3 ARG 40 HB1 ARG 40 18.158 7.805 -5.014 279 HG2 ARG 40 HG2 ARG 40 17.512 6.664 -2.923 280 HG3 ARG 40 HG1 ARG 40 17.137 5.219 -3.864 281 HD2 ARG 40 HD2 ARG 40 19.469 5.197 -4.681 282 HD3 ARG 40 HD1 ARG 40 19.819 6.573 -3.638 283 HE ARG 40 HE ARG 40 18.734 4.570 -2.040 284 HH11 ARG 40 HH11 ARG 40 21.586 5.123 -3.988 285 HH12 ARG 40 HH12 ARG 40 22.594 4.068 -3.047 286 HH21 ARG 40 HH21 ARG 40 20.062 3.179 -0.793 287 HH22 ARG 40 HH22 ARG 40 21.727 2.969 -1.228 288 HA PRO 41 HA PRO 41 14.156 9.728 -2.055 289 HB2 PRO 41 HB2 PRO 41 13.357 7.950 -0.140 290 HB3 PRO 41 HB1 PRO 41 12.359 8.424 -1.516 291 HG2 PRO 41 HG2 PRO 41 14.044 5.982 -1.142 292 HG3 PRO 41 HG1 PRO 41 12.419 6.128 -1.843 293 HD2 PRO 41 HD2 PRO 41 14.618 5.893 -3.391 294 HD3 PRO 41 HD1 PRO 41 13.228 6.880 -3.886 295 H ALA 42 HN ALA 42 15.221 10.706 -0.430 296 HA ALA 42 HA ALA 42 17.321 9.207 0.977 297 HB1 ALA 42 HB1 ALA 42 18.843 11.094 0.745 298 HB2 ALA 42 HB2 ALA 42 17.636 11.964 -0.199 299 HB3 ALA 42 HB3 ALA 42 18.355 10.485 -0.835 300 H GLY 43 HN GLY 43 16.738 9.227 3.070 301 HA2 GLY 43 HA2 GLY 43 16.803 10.723 5.050 302 HA3 GLY 43 HA1 GLY 43 15.704 11.773 4.165 303 H LYS 44 HN LYS 44 13.607 11.559 4.570 304 HA LYS 44 HA LYS 44 12.716 9.062 5.850 305 HB2 LYS 44 HB2 LYS 44 11.493 11.823 6.013 306 HB3 LYS 44 HB1 LYS 44 10.860 10.382 6.793 307 HG2 LYS 44 HG2 LYS 44 12.929 10.217 8.117 308 HG3 LYS 44 HG1 LYS 44 13.508 11.698 7.359 309 HD2 LYS 44 HD2 LYS 44 12.580 12.231 9.516 310 HD3 LYS 44 HD1 LYS 44 11.530 12.884 8.261 311 HE2 LYS 44 HE2 LYS 44 10.246 11.850 10.069 312 HE3 LYS 44 HE1 LYS 44 10.004 11.005 8.541 313 HZ1 LYS 44 HZ1 LYS 44 11.841 10.136 10.709 314 HZ2 LYS 44 HZ2 LYS 44 11.558 9.312 9.259 315 HZ3 LYS 44 HZ3 LYS 44 10.319 9.475 10.391 316 H TRP 45 HN TRP 45 11.813 7.786 4.383 317 HA TRP 45 HA TRP 45 10.228 9.012 2.254 318 HB2 TRP 45 HB2 TRP 45 12.056 7.631 1.427 319 HB3 TRP 45 HB1 TRP 45 11.491 6.268 2.389 320 HD1 TRP 45 HD1 TRP 45 10.202 8.493 -0.515 321 HE1 TRP 45 HE1 TRP 45 8.702 7.055 -2.023 322 HE3 TRP 45 HE3 TRP 45 10.311 4.130 2.155 323 HZ2 TRP 45 HZ2 TRP 45 7.701 4.428 -2.081 324 HZ3 TRP 45 HZ3 TRP 45 9.052 2.196 1.291 325 HH2 TRP 45 HH2 TRP 45 7.774 2.345 -0.782 326 H GLU 46 HN GLU 46 8.136 8.573 1.995 327 HA GLU 46 HA GLU 46 6.889 6.646 3.837 328 HB2 GLU 46 HB2 GLU 46 4.825 8.115 3.511 329 HB3 GLU 46 HB1 GLU 46 6.127 8.797 4.479 330 HG2 GLU 46 HG2 GLU 46 6.817 10.217 2.732 331 HG3 GLU 46 HG1 GLU 46 5.838 9.358 1.547 332 H CYS 47 HN CYS 47 5.825 4.992 2.884 333 HA CYS 47 HA CYS 47 5.785 4.704 0.064 334 HB2 CYS 47 HB2 CYS 47 4.704 2.614 0.418 335 HB3 CYS 47 HB1 CYS 47 5.798 2.816 1.781 336 HA PRO 48 HA PRO 48 2.105 6.858 -1.082 337 HB2 PRO 48 HB2 PRO 48 1.243 5.274 -3.147 338 HB3 PRO 48 HB1 PRO 48 2.575 6.431 -3.281 339 HG2 PRO 48 HG2 PRO 48 2.671 3.472 -2.831 340 HG3 PRO 48 HG1 PRO 48 3.671 4.476 -3.899 341 HD2 PRO 48 HD2 PRO 48 4.575 3.624 -1.522 342 HD3 PRO 48 HD1 PRO 48 5.000 5.228 -2.157 343 H TRP 49 HN TRP 49 2.074 3.796 0.262 344 HA TRP 49 HA TRP 49 -0.733 3.211 0.055 345 HB2 TRP 49 HB2 TRP 49 1.309 1.607 0.466 346 HB3 TRP 49 HB1 TRP 49 1.093 2.066 2.155 347 HD1 TRP 49 HD1 TRP 49 -1.799 1.315 -0.303 348 HE1 TRP 49 HE1 TRP 49 -3.084 -0.741 0.572 349 HE3 TRP 49 HE3 TRP 49 1.196 0.103 3.672 350 HZ2 TRP 49 HZ2 TRP 49 -2.871 -2.609 2.672 351 HZ3 TRP 49 HZ3 TRP 49 0.578 -1.827 5.061 352 HH2 TRP 49 HH2 TRP 49 -1.412 -3.160 4.569 353 H HIS 50 HN HIS 50 0.924 5.556 1.669 354 HA HIS 50 HA HIS 50 -0.995 5.624 3.900 355 HB2 HIS 50 HB2 HIS 50 1.550 7.226 3.538 356 HB3 HIS 50 HB1 HIS 50 0.487 7.264 4.948 357 HD1 HIS 50 HD1 HIS 50 0.209 4.005 4.957 358 HD2 HIS 50 HD2 HIS 50 3.671 6.305 5.012 359 HE1 HIS 50 HE1 HIS 50 2.013 2.559 5.995 360 H GLN 51 HN GLN 51 -0.787 6.679 0.861 361 HA GLN 51 HA GLN 51 -2.025 9.273 1.481 362 HB2 GLN 51 HB2 GLN 51 -0.386 8.569 -0.963 363 HB3 GLN 51 HB1 GLN 51 -1.191 10.105 -0.678 364 HG2 GLN 51 HG2 GLN 51 1.024 8.944 0.983 365 HG3 GLN 51 HG1 GLN 51 1.189 10.238 -0.201 366 HE21 GLN 51 HE21 GLN 51 1.888 10.374 2.558 367 HE22 GLN 51 HE22 GLN 51 0.876 11.569 3.294 368 H CYS 52 HN CYS 52 -3.873 9.799 0.453 369 HA CYS 52 HA CYS 52 -5.480 7.699 -0.599 370 HB2 CYS 52 HB2 CYS 52 -6.422 9.571 0.677 371 HB3 CYS 52 HB1 CYS 52 -5.886 10.696 -0.559 372 H ASP 53 HN ASP 53 -5.474 6.968 -2.625 373 HA ASP 53 HA ASP 53 -3.801 8.078 -4.609 374 HB2 ASP 53 HB2 ASP 53 -4.391 5.682 -4.515 375 HB3 ASP 53 HB1 ASP 53 -6.051 6.079 -4.954 376 H VAL 54 HN VAL 54 -6.948 8.950 -3.665 377 HA VAL 54 HA VAL 54 -7.697 9.963 -6.277 378 HB VAL 54 HB VAL 54 -9.155 10.190 -3.643 379 HG11 VAL 54 HG11 VAL 54 -11.084 10.824 -5.023 380 HG12 VAL 54 HG12 VAL 54 -10.043 10.838 -6.448 381 HG13 VAL 54 HG13 VAL 54 -9.767 11.992 -5.140 382 HG21 VAL 54 HG21 VAL 54 -9.580 8.354 -5.995 383 HG22 VAL 54 HG22 VAL 54 -10.644 8.486 -4.595 384 HG23 VAL 54 HG23 VAL 54 -8.996 7.887 -4.397 385 H CYS 55 HN CYS 55 -7.033 11.378 -3.039 386 HA CYS 55 HA CYS 55 -6.858 13.973 -4.412 387 HB2 CYS 55 HB2 CYS 55 -7.370 15.037 -2.257 388 HB3 CYS 55 HB1 CYS 55 -8.636 13.944 -2.787 389 H GLY 56 HN GLY 56 -4.927 11.659 -2.930 390 HA2 GLY 56 HA2 GLY 56 -2.629 11.672 -2.740 391 HA3 GLY 56 HA1 GLY 56 -2.639 13.371 -3.190 392 H LYS 57 HN LYS 57 -4.775 12.940 -0.662 393 HA LYS 57 HA LYS 57 -2.752 13.931 1.201 394 HB2 LYS 57 HB2 LYS 57 -5.756 14.052 1.469 395 HB3 LYS 57 HB1 LYS 57 -4.583 14.849 2.506 396 HG2 LYS 57 HG2 LYS 57 -3.789 16.044 0.400 397 HG3 LYS 57 HG1 LYS 57 -5.277 15.464 -0.344 398 HD2 LYS 57 HD2 LYS 57 -5.086 17.187 2.124 399 HD3 LYS 57 HD1 LYS 57 -5.512 17.746 0.510 400 HE2 LYS 57 HE2 LYS 57 -7.605 17.498 1.372 401 HE3 LYS 57 HE1 LYS 57 -7.366 15.867 0.753 402 HZ1 LYS 57 HZ1 LYS 57 -8.248 15.865 3.006 403 HZ2 LYS 57 HZ2 LYS 57 -6.897 16.725 3.558 404 HZ3 LYS 57 HZ3 LYS 57 -6.714 15.155 2.958 405 H GLU 58 HN GLU 58 -3.728 13.427 3.608 406 HA GLU 58 HA GLU 58 -2.724 10.998 4.309 407 HB2 GLU 58 HB2 GLU 58 -3.319 12.899 5.823 408 HB3 GLU 58 HB1 GLU 58 -4.996 12.388 5.731 409 HG2 GLU 58 HG2 GLU 58 -4.197 11.517 7.743 410 HG3 GLU 58 HG1 GLU 58 -4.216 10.153 6.628 411 H ALA 59 HN ALA 59 -3.313 8.951 4.016 412 HA ALA 59 HA ALA 59 -6.036 8.299 3.229 413 HB1 ALA 59 HB1 ALA 59 -4.262 7.243 1.992 414 HB2 ALA 59 HB2 ALA 59 -5.139 6.021 2.912 415 HB3 ALA 59 HB3 ALA 59 -3.567 6.590 3.476 416 H ALA 60 HN ALA 60 -7.403 6.943 4.363 417 HA ALA 60 HA ALA 60 -6.752 6.664 7.219 418 HB1 ALA 60 HB1 ALA 60 -9.461 6.862 5.911 419 HB2 ALA 60 HB2 ALA 60 -8.623 8.165 6.754 420 HB3 ALA 60 HB3 ALA 60 -9.149 6.735 7.642 421 H SER 61 HN SER 61 -8.181 5.028 4.427 422 HA SER 61 HA SER 61 -7.892 2.503 5.902 423 HB2 SER 61 HB2 SER 61 -9.741 1.633 4.452 424 HB3 SER 61 HB1 SER 61 -10.242 2.930 5.533 425 HG SER 61 HG SER 61 -10.834 2.970 3.153 426 H PHE 62 HN PHE 62 -7.196 0.679 4.661 427 HA PHE 62 HA PHE 62 -5.617 1.458 2.298 428 HB2 PHE 62 HB2 PHE 62 -4.623 -0.491 4.381 429 HB3 PHE 62 HB1 PHE 62 -3.688 0.394 3.170 430 HD1 PHE 62 HD1 PHE 62 -4.904 0.345 6.533 431 HD2 PHE 62 HD2 PHE 62 -3.449 2.918 3.473 432 HE1 PHE 62 HE1 PHE 62 -4.444 2.083 8.212 433 HE2 PHE 62 HE2 PHE 62 -2.988 4.653 5.148 434 HZ PHE 62 HZ PHE 62 -3.484 4.239 7.521 435 H CYS 63 HN CYS 63 -5.936 0.113 0.577 436 HA CYS 63 HA CYS 63 -7.572 -2.200 0.791 437 HB2 CYS 63 HB2 CYS 63 -7.311 -0.840 -1.318 438 HB3 CYS 63 HB1 CYS 63 -5.705 -1.540 -1.501 439 H GLU 64 HN GLU 64 -7.056 -4.198 1.358 440 HA GLU 64 HA GLU 64 -4.294 -4.756 2.058 441 HB2 GLU 64 HB2 GLU 64 -6.799 -6.406 2.440 442 HB3 GLU 64 HB1 GLU 64 -5.212 -6.810 3.081 443 HG2 GLU 64 HG2 GLU 64 -5.239 -4.794 4.454 444 HG3 GLU 64 HG1 GLU 64 -6.811 -4.354 3.788 445 H MET 65 HN MET 65 -5.563 -4.761 -0.790 446 HA MET 65 HA MET 65 -4.351 -7.335 -1.567 447 HB2 MET 65 HB2 MET 65 -6.641 -5.913 -2.929 448 HB3 MET 65 HB1 MET 65 -5.883 -7.407 -3.481 449 HG2 MET 65 HG2 MET 65 -6.623 -8.550 -1.472 450 HG3 MET 65 HG1 MET 65 -7.340 -7.058 -0.866 451 HE1 MET 65 HE1 MET 65 -7.486 -9.868 -3.568 452 HE2 MET 65 HE2 MET 65 -7.373 -8.432 -4.587 453 HE3 MET 65 HE3 MET 65 -8.862 -9.375 -4.555 454 H CYS 66 HN CYS 66 -4.090 -3.981 -1.800 455 HA CYS 66 HA CYS 66 -2.013 -4.160 -3.745 456 HB2 CYS 66 HB2 CYS 66 -2.994 -2.930 -5.537 457 HB3 CYS 66 HB1 CYS 66 -4.162 -4.182 -5.130 458 HA PRO 67 HA PRO 67 -0.800 -0.440 -1.675 459 HB2 PRO 67 HB2 PRO 67 0.259 0.753 -4.136 460 HB3 PRO 67 HB1 PRO 67 1.131 0.138 -2.729 461 HG2 PRO 67 HG2 PRO 67 1.209 -1.124 -5.095 462 HG3 PRO 67 HG1 PRO 67 1.220 -2.012 -3.559 463 HD2 PRO 67 HD2 PRO 67 -1.103 -1.486 -5.409 464 HD3 PRO 67 HD1 PRO 67 -0.612 -3.013 -4.627 465 H SER 68 HN SER 68 -3.512 -0.342 -3.086 466 HA SER 68 HA SER 68 -3.690 2.537 -3.561 467 HB2 SER 68 HB2 SER 68 -5.824 0.407 -3.863 468 HB3 SER 68 HB1 SER 68 -5.956 2.093 -4.361 469 HG SER 68 HG SER 68 -4.327 1.740 -5.875 470 H SER 69 HN SER 69 -4.240 3.849 -1.985 471 HA SER 69 HA SER 69 -5.893 2.843 0.226 472 HB2 SER 69 HB2 SER 69 -4.476 4.557 1.604 473 HB3 SER 69 HB1 SER 69 -3.786 2.970 1.246 474 HG SER 69 HG SER 69 -3.260 5.451 -0.038 475 H PHE 70 HN PHE 70 -7.171 4.529 1.314 476 HA PHE 70 HA PHE 70 -7.577 6.915 -0.350 477 HB2 PHE 70 HB2 PHE 70 -9.806 5.068 0.538 478 HB3 PHE 70 HB1 PHE 70 -10.003 6.575 -0.358 479 HD1 PHE 70 HD1 PHE 70 -8.854 6.708 -2.652 480 HD2 PHE 70 HD2 PHE 70 -9.612 3.063 -0.599 481 HE1 PHE 70 HE1 PHE 70 -8.681 5.483 -4.779 482 HE2 PHE 70 HE2 PHE 70 -9.439 1.826 -2.720 483 HZ PHE 70 HZ PHE 70 -8.967 3.012 -4.800 484 H CYS 71 HN CYS 71 -8.651 8.637 0.704 485 HA CYS 71 HA CYS 71 -8.231 8.730 3.556 486 HB2 CYS 71 HB2 CYS 71 -8.848 11.060 3.388 487 HB3 CYS 71 HB1 CYS 71 -7.782 10.673 2.041 488 H LYS 72 HN LYS 72 -10.164 9.919 4.807 489 HA LYS 72 HA LYS 72 -12.181 8.018 5.088 490 HB2 LYS 72 HB2 LYS 72 -12.095 10.906 5.931 491 HB3 LYS 72 HB1 LYS 72 -13.387 9.806 6.391 492 HG2 LYS 72 HG2 LYS 72 -11.748 8.358 7.494 493 HG3 LYS 72 HG1 LYS 72 -10.470 9.488 7.056 494 HD2 LYS 72 HD2 LYS 72 -11.643 11.246 8.346 495 HD3 LYS 72 HD1 LYS 72 -12.827 10.040 8.849 496 HE2 LYS 72 HE2 LYS 72 -11.205 10.287 10.594 497 HE3 LYS 72 HE1 LYS 72 -10.980 8.715 9.830 498 HZ1 LYS 72 HZ1 LYS 72 -9.344 11.146 9.352 499 HZ2 LYS 72 HZ2 LYS 72 -9.152 9.680 8.537 500 HZ3 LYS 72 HZ3 LYS 72 -8.862 9.765 10.198 501 H GLN 73 HN GLN 73 -12.108 10.946 3.144 502 HA GLN 73 HA GLN 73 -14.895 10.906 2.525 503 HB2 GLN 73 HB2 GLN 73 -13.545 12.975 2.511 504 HB3 GLN 73 HB1 GLN 73 -12.652 12.358 1.126 505 HG2 GLN 73 HG2 GLN 73 -14.718 12.315 -0.181 506 HG3 GLN 73 HG1 GLN 73 -15.603 12.947 1.203 507 HE21 GLN 73 HE21 GLN 73 -12.378 13.982 0.335 508 HE22 GLN 73 HE22 GLN 73 -12.821 15.578 -0.164 509 H HIS 74 HN HIS 74 -11.981 9.743 0.919 510 HA HIS 74 HA HIS 74 -13.593 9.056 -1.427 511 HB2 HIS 74 HB2 HIS 74 -10.592 9.218 -1.086 512 HB3 HIS 74 HB1 HIS 74 -11.403 8.719 -2.573 513 HD2 HIS 74 HD2 HIS 74 -13.700 11.063 -2.556 514 HE1 HIS 74 HE1 HIS 74 -10.367 13.654 -2.620 515 HE2 HIS 74 HE2 HIS 74 -12.813 13.405 -3.223 516 H ARG 75 HN ARG 75 -12.951 7.503 1.300 517 HA ARG 75 HA ARG 75 -12.198 4.968 0.101 518 HB2 ARG 75 HB2 ARG 75 -12.215 4.049 2.314 519 HB3 ARG 75 HB1 ARG 75 -11.385 5.594 2.369 520 HG2 ARG 75 HG2 ARG 75 -13.437 6.629 3.251 521 HG3 ARG 75 HG1 ARG 75 -14.204 5.041 3.259 522 HD2 ARG 75 HD2 ARG 75 -12.371 4.243 4.746 523 HD3 ARG 75 HD1 ARG 75 -11.777 5.894 4.832 524 HE ARG 75 HE ARG 75 -14.400 6.075 5.574 525 HH11 ARG 75 HH11 ARG 75 -11.646 4.234 6.691 526 HH12 ARG 75 HH12 ARG 75 -12.210 4.125 8.326 527 HH21 ARG 75 HH21 ARG 75 -15.164 5.925 7.719 528 HH22 ARG 75 HH22 ARG 75 -14.209 5.105 8.915 529 H GLU 76 HN GLU 76 -15.041 6.662 1.061 530 HA GLU 76 HA GLU 76 -16.794 4.463 1.277 531 HB2 GLU 76 HB2 GLU 76 -17.326 7.361 0.620 532 HB3 GLU 76 HB1 GLU 76 -18.573 6.181 1.004 533 HG2 GLU 76 HG2 GLU 76 -17.696 5.906 3.226 534 HG3 GLU 76 HG1 GLU 76 -16.326 6.950 2.853 535 H GLY 77 HN GLY 77 -17.602 3.204 -0.267 536 HA2 GLY 77 HA2 GLY 77 -18.512 2.625 -2.323 537 HA3 GLY 77 HA1 GLY 77 -18.165 4.248 -2.905 538 H MET 78 HN MET 78 -15.298 3.707 -1.828 539 HA MET 78 HA MET 78 -14.408 2.480 -4.344 540 HB2 MET 78 HB2 MET 78 -12.928 4.272 -2.398 541 HB3 MET 78 HB1 MET 78 -12.209 3.555 -3.833 542 HG2 MET 78 HG2 MET 78 -14.540 5.466 -3.832 543 HG3 MET 78 HG1 MET 78 -12.866 5.898 -4.181 544 HE1 MET 78 HE1 MET 78 -12.179 3.996 -7.517 545 HE2 MET 78 HE2 MET 78 -11.849 3.401 -5.891 546 HE3 MET 78 HE3 MET 78 -11.533 5.088 -6.292 547 H LEU 79 HN LEU 79 -13.960 2.294 -0.840 548 HA LEU 79 HA LEU 79 -12.583 -0.279 -1.262 549 HB2 LEU 79 HB2 LEU 79 -11.335 1.651 -0.111 550 HB3 LEU 79 HB1 LEU 79 -12.448 1.420 1.226 551 HG LEU 79 HG LEU 79 -11.615 -0.899 1.490 552 HD11 LEU 79 HD11 LEU 79 -9.640 -0.081 -0.634 553 HD12 LEU 79 HD12 LEU 79 -10.870 -1.336 -0.774 554 HD13 LEU 79 HD13 LEU 79 -9.531 -1.536 0.354 555 HD21 LEU 79 HD21 LEU 79 -10.674 0.818 2.868 556 HD22 LEU 79 HD22 LEU 79 -9.579 1.316 1.580 557 HD23 LEU 79 HD23 LEU 79 -9.373 -0.255 2.351 558 H PHE 80 HN PHE 80 -13.393 -2.062 -0.211 559 HA PHE 80 HA PHE 80 -15.502 -1.759 1.758 560 HB2 PHE 80 HB2 PHE 80 -17.053 -3.248 0.492 561 HB3 PHE 80 HB1 PHE 80 -16.795 -1.699 -0.293 562 HD1 PHE 80 HD1 PHE 80 -15.602 -1.551 -2.403 563 HD2 PHE 80 HD2 PHE 80 -16.209 -5.310 -0.487 564 HE1 PHE 80 HE1 PHE 80 -14.966 -2.715 -4.471 565 HE2 PHE 80 HE2 PHE 80 -15.580 -6.466 -2.555 566 HZ PHE 80 HZ PHE 80 -15.015 -5.167 -4.567 567 H ILE 81 HN ILE 81 -16.160 -3.961 2.610 568 HA ILE 81 HA ILE 81 -13.741 -5.496 3.025 569 HB ILE 81 HB ILE 81 -16.493 -5.711 4.229 570 HG12 ILE 81 HG12 ILE 81 -15.046 -3.826 4.958 571 HG13 ILE 81 HG11 ILE 81 -15.405 -4.954 6.257 572 HG21 ILE 81 HG21 ILE 81 -15.604 -7.948 4.081 573 HG22 ILE 81 HG22 ILE 81 -15.532 -7.395 5.754 574 HG23 ILE 81 HG23 ILE 81 -14.070 -7.414 4.768 575 HD11 ILE 81 HD11 ILE 81 -13.112 -4.302 6.395 576 HD12 ILE 81 HD12 ILE 81 -12.838 -4.737 4.710 577 HD13 ILE 81 HD13 ILE 81 -13.189 -5.992 5.898 578 H SER 82 HN SER 82 -13.208 -7.272 2.024 579 HA SER 82 HA SER 82 -14.680 -8.389 -0.092 580 HB2 SER 82 HB2 SER 82 -12.306 -8.641 -0.100 581 HB3 SER 82 HB1 SER 82 -12.314 -9.384 1.496 582 HG SER 82 HG SER 82 -12.808 -10.490 -0.989 583 H LYS 83 HN LYS 83 -16.261 -9.826 -0.110 584 HA LYS 83 HA LYS 83 -17.249 -10.987 2.310 585 HB2 LYS 83 HB2 LYS 83 -17.999 -11.460 -0.578 586 HB3 LYS 83 HB1 LYS 83 -18.865 -12.122 0.803 587 HG2 LYS 83 HG2 LYS 83 -19.400 -9.879 1.567 588 HG3 LYS 83 HG1 LYS 83 -18.499 -9.192 0.216 589 HD2 LYS 83 HD2 LYS 83 -20.047 -10.216 -1.357 590 HD3 LYS 83 HD1 LYS 83 -20.923 -10.971 -0.026 591 HE2 LYS 83 HE2 LYS 83 -20.624 -8.006 -0.491 592 HE3 LYS 83 HE1 LYS 83 -22.063 -8.964 -0.826 593 HZ1 LYS 83 HZ1 LYS 83 -22.253 -9.462 1.519 594 HZ2 LYS 83 HZ2 LYS 83 -22.230 -7.790 1.281 595 HZ3 LYS 83 HZ3 LYS 83 -20.849 -8.580 1.854 596 H LEU 84 HN LEU 84 -14.951 -11.857 -0.059 597 HA LEU 84 HA LEU 84 -15.122 -14.700 0.435 598 HB2 LEU 84 HB2 LEU 84 -13.162 -13.086 -1.184 599 HB3 LEU 84 HB1 LEU 84 -13.241 -14.837 -1.150 600 HG LEU 84 HG LEU 84 -15.421 -13.011 -2.176 601 HD11 LEU 84 HD11 LEU 84 -13.472 -14.770 -3.654 602 HD12 LEU 84 HD12 LEU 84 -13.483 -13.008 -3.639 603 HD13 LEU 84 HD13 LEU 84 -14.818 -13.891 -4.378 604 HD21 LEU 84 HD21 LEU 84 -16.425 -15.094 -3.022 605 HD22 LEU 84 HD22 LEU 84 -16.348 -15.051 -1.261 606 HD23 LEU 84 HD23 LEU 84 -15.187 -16.018 -2.172 607 H ASP 85 HN ASP 85 -12.596 -12.194 0.877 608 HA ASP 85 HA ASP 85 -11.228 -14.075 2.688 609 HB2 ASP 85 HB2 ASP 85 -10.127 -11.649 1.267 610 HB3 ASP 85 HB1 ASP 85 -9.214 -12.672 2.363 611 H GLY 86 HN GLY 86 -13.069 -11.250 2.746 612 HA2 GLY 86 HA2 GLY 86 -13.657 -9.924 4.551 613 HA3 GLY 86 HA1 GLY 86 -12.492 -10.800 5.533 614 H ARG 87 HN ARG 87 -10.846 -9.932 2.881 615 HA ARG 87 HA ARG 87 -9.314 -7.935 4.181 616 HB2 ARG 87 HB2 ARG 87 -9.414 -8.879 1.320 617 HB3 ARG 87 HB1 ARG 87 -8.266 -7.681 1.895 618 HG2 ARG 87 HG2 ARG 87 -7.305 -9.302 3.421 619 HG3 ARG 87 HG1 ARG 87 -8.490 -10.506 2.905 620 HD2 ARG 87 HD2 ARG 87 -7.605 -10.498 0.673 621 HD3 ARG 87 HD1 ARG 87 -6.527 -9.159 1.062 622 HE ARG 87 HE ARG 87 -5.905 -11.199 2.822 623 HH11 ARG 87 HH11 ARG 87 -5.934 -10.762 -0.649 624 HH12 ARG 87 HH12 ARG 87 -4.575 -11.802 -0.926 625 HH21 ARG 87 HH21 ARG 87 -4.095 -12.549 2.469 626 HH22 ARG 87 HH22 ARG 87 -3.515 -12.810 0.855 627 H LEU 88 HN LEU 88 -9.190 -5.728 3.819 628 HA LEU 88 HA LEU 88 -11.404 -4.339 2.698 629 HB2 LEU 88 HB2 LEU 88 -8.595 -3.486 3.387 630 HB3 LEU 88 HB1 LEU 88 -9.787 -2.382 2.745 631 HG LEU 88 HG LEU 88 -10.397 -3.935 5.224 632 HD11 LEU 88 HD11 LEU 88 -8.842 -1.355 5.089 633 HD12 LEU 88 HD12 LEU 88 -8.208 -2.916 5.609 634 HD13 LEU 88 HD13 LEU 88 -9.460 -2.111 6.557 635 HD21 LEU 88 HD21 LEU 88 -11.186 -1.188 4.254 636 HD22 LEU 88 HD22 LEU 88 -11.803 -2.011 5.687 637 HD23 LEU 88 HD23 LEU 88 -12.165 -2.645 4.084 638 H SER 89 HN SER 89 -11.886 -4.467 0.605 639 HA SER 89 HA SER 89 -9.665 -4.706 -1.309 640 HB2 SER 89 HB2 SER 89 -11.018 -6.773 -1.034 641 HB3 SER 89 HB1 SER 89 -12.448 -5.879 -1.549 642 HG SER 89 HG SER 89 -10.294 -6.821 -3.024 643 H CYS 90 HN CYS 90 -9.654 -3.375 -3.035 644 HA CYS 90 HA CYS 90 -11.545 -1.171 -2.991 645 HB2 CYS 90 HB2 CYS 90 -9.978 -0.002 -4.398 646 HB3 CYS 90 HB1 CYS 90 -9.058 -0.792 -3.119 647 H THR 91 HN THR 91 -12.211 -0.285 -5.174 648 HA THR 91 HA THR 91 -13.667 -2.316 -6.563 649 HB THR 91 HB THR 91 -14.397 -0.309 -7.965 650 HG1 THR 91 HG1 THR 91 -13.087 1.347 -7.665 651 HG21 THR 91 HG21 THR 91 -15.730 -1.209 -6.127 652 HG22 THR 91 HG22 THR 91 -15.832 0.550 -6.173 653 HG23 THR 91 HG23 THR 91 -14.809 -0.243 -4.975 654 H GLU 92 HN GLU 92 -10.542 -1.682 -6.833 655 HA GLU 92 HA GLU 92 -10.406 -1.619 -9.746 656 HB2 GLU 92 HB2 GLU 92 -8.238 -1.545 -7.637 657 HB3 GLU 92 HB1 GLU 92 -7.946 -1.493 -9.370 658 HG2 GLU 92 HG2 GLU 92 -9.619 0.535 -7.915 659 HG3 GLU 92 HG1 GLU 92 -7.889 0.719 -8.198 660 H HIS 93 HN HIS 93 -11.145 -3.929 -7.722 661 HA HIS 93 HA HIS 93 -9.441 -5.952 -9.028 662 HB2 HIS 93 HB2 HIS 93 -10.633 -6.107 -6.249 663 HB3 HIS 93 HB1 HIS 93 -9.632 -7.331 -7.014 664 HD1 HIS 93 HD1 HIS 93 -7.525 -5.004 -8.061 665 HD2 HIS 93 HD2 HIS 93 -8.822 -5.844 -4.204 666 HE1 HIS 93 HE1 HIS 93 -5.733 -4.129 -6.491 667 H ASP 94 HN ASP 94 -11.640 -5.250 -10.345 668 HA ASP 94 HA ASP 94 -13.630 -7.323 -9.693 669 HB2 ASP 94 HB2 ASP 94 -13.970 -4.623 -10.985 670 HB3 ASP 94 HB1 ASP 94 -15.170 -5.894 -11.178 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 11.210 -6.666 17.030 2 H2 GLY 1 HT2 GLY 1 11.644 -6.627 15.394 3 H3 GLY 1 HT3 GLY 1 11.159 -8.079 16.104 4 HA2 GLY 1 HA1 GLY 1 9.386 -7.200 14.754 5 HA3 GLY 1 HA2 GLY 1 8.937 -7.217 16.452 6 H ALA 2 HN ALA 2 11.137 -4.832 16.312 7 HA ALA 2 HA ALA 2 9.080 -2.793 16.255 8 HB1 ALA 2 HB1 ALA 2 10.817 -1.296 17.063 9 HB2 ALA 2 HB2 ALA 2 12.036 -2.542 16.800 10 HB3 ALA 2 HB3 ALA 2 10.783 -2.777 18.018 11 H MET 3 HN MET 3 11.761 -3.887 14.316 12 HA MET 3 HA MET 3 11.207 -1.745 12.375 13 HB2 MET 3 HB2 MET 3 13.677 -3.467 12.656 14 HB3 MET 3 HB1 MET 3 13.435 -2.228 11.437 15 HG2 MET 3 HG2 MET 3 13.622 -1.800 14.410 16 HG3 MET 3 HG1 MET 3 14.849 -1.411 13.210 17 HE1 MET 3 HE1 MET 3 13.023 -0.216 10.820 18 HE2 MET 3 HE2 MET 3 14.574 0.429 11.356 19 HE3 MET 3 HE3 MET 3 13.179 1.497 11.207 20 H GLU 4 HN GLU 4 9.298 -3.260 12.022 21 HA GLU 4 HA GLU 4 9.726 -5.782 10.826 22 HB2 GLU 4 HB2 GLU 4 7.338 -3.965 10.942 23 HB3 GLU 4 HB1 GLU 4 7.301 -5.513 10.111 24 HG2 GLU 4 HG2 GLU 4 7.945 -5.104 13.018 25 HG3 GLU 4 HG1 GLU 4 6.401 -5.659 12.371 26 H ARG 5 HN ARG 5 10.311 -6.290 8.870 27 HA ARG 5 HA ARG 5 9.660 -4.502 6.649 28 HB2 ARG 5 HB2 ARG 5 11.958 -3.970 7.162 29 HB3 ARG 5 HB1 ARG 5 12.386 -5.674 7.230 30 HG2 ARG 5 HG2 ARG 5 11.939 -5.893 4.845 31 HG3 ARG 5 HG1 ARG 5 11.478 -4.192 4.770 32 HD2 ARG 5 HD2 ARG 5 13.698 -3.495 5.310 33 HD3 ARG 5 HD1 ARG 5 14.188 -5.151 5.665 34 HE ARG 5 HE ARG 5 13.700 -5.571 3.220 35 HH11 ARG 5 HH11 ARG 5 14.783 -2.459 4.413 36 HH12 ARG 5 HH12 ARG 5 15.512 -1.997 2.908 37 HH21 ARG 5 HH21 ARG 5 14.659 -4.974 1.248 38 HH22 ARG 5 HH22 ARG 5 15.433 -3.428 1.103 39 H GLU 6 HN GLU 6 8.397 -5.665 5.399 40 HA GLU 6 HA GLU 6 8.272 -8.485 5.370 41 HB2 GLU 6 HB2 GLU 6 6.440 -6.858 4.775 42 HB3 GLU 6 HB1 GLU 6 7.280 -6.559 3.262 43 HG2 GLU 6 HG2 GLU 6 6.800 -8.675 2.437 44 HG3 GLU 6 HG1 GLU 6 6.459 -9.325 4.043 45 H ASP 7 HN ASP 7 8.875 -9.931 3.622 46 HA ASP 7 HA ASP 7 11.257 -8.937 2.198 47 HB2 ASP 7 HB2 ASP 7 10.656 -11.735 3.164 48 HB3 ASP 7 HB1 ASP 7 12.060 -11.287 2.205 49 H GLU 8 HN GLU 8 8.548 -8.784 1.246 50 HA GLU 8 HA GLU 8 9.026 -9.848 -1.380 51 HB2 GLU 8 HB2 GLU 8 7.918 -11.743 -0.190 52 HB3 GLU 8 HB1 GLU 8 6.549 -10.692 0.141 53 HG2 GLU 8 HG2 GLU 8 6.156 -10.455 -2.258 54 HG3 GLU 8 HG1 GLU 8 7.519 -11.524 -2.584 55 H CYS 9 HN CYS 9 7.705 -8.783 -2.956 56 HA CYS 9 HA CYS 9 6.828 -6.190 -2.028 57 HB2 CYS 9 HB2 CYS 9 8.083 -6.297 -4.107 58 HB3 CYS 9 HB1 CYS 9 6.900 -7.416 -4.785 59 H PHE 10 HN PHE 10 4.857 -5.893 -1.317 60 HA PHE 10 HA PHE 10 2.750 -7.745 -1.608 61 HB2 PHE 10 HB2 PHE 10 2.810 -6.294 0.302 62 HB3 PHE 10 HB1 PHE 10 2.835 -4.856 -0.709 63 HD1 PHE 10 HD1 PHE 10 0.876 -3.690 -0.986 64 HD2 PHE 10 HD2 PHE 10 0.698 -7.833 -0.036 65 HE1 PHE 10 HE1 PHE 10 -1.572 -3.553 -0.841 66 HE2 PHE 10 HE2 PHE 10 -1.747 -7.699 0.110 67 HZ PHE 10 HZ PHE 10 -2.878 -5.512 -0.262 68 H SER 11 HN SER 11 3.864 -5.179 -3.595 69 HA SER 11 HA SER 11 1.389 -4.720 -4.970 70 HB2 SER 11 HB2 SER 11 3.124 -2.964 -4.713 71 HB3 SER 11 HB1 SER 11 4.197 -3.909 -5.739 72 HG SER 11 HG SER 11 2.205 -3.758 -7.238 73 H CYS 12 HN CYS 12 4.172 -6.819 -5.435 74 HA CYS 12 HA CYS 12 3.081 -7.566 -8.075 75 HB2 CYS 12 HB2 CYS 12 5.969 -7.710 -7.196 76 HB3 CYS 12 HB1 CYS 12 5.344 -8.080 -8.803 77 H GLY 13 HN GLY 13 4.214 -8.739 -4.999 78 HA2 GLY 13 HA2 GLY 13 3.847 -10.868 -4.105 79 HA3 GLY 13 HA1 GLY 13 3.406 -11.444 -5.710 80 H ASP 14 HN ASP 14 6.200 -9.656 -5.896 81 HA ASP 14 HA ASP 14 7.845 -12.097 -5.865 82 HB2 ASP 14 HB2 ASP 14 8.029 -9.663 -7.651 83 HB3 ASP 14 HB1 ASP 14 9.242 -10.937 -7.603 84 H ALA 15 HN ALA 15 10.049 -11.864 -5.244 85 HA ALA 15 HA ALA 15 10.536 -9.542 -3.505 86 HB1 ALA 15 HB1 ALA 15 10.367 -11.656 -2.289 87 HB2 ALA 15 HB2 ALA 15 11.988 -10.971 -2.180 88 HB3 ALA 15 HB3 ALA 15 11.673 -12.324 -3.268 89 H GLY 16 HN GLY 16 12.795 -8.854 -3.336 90 HA2 GLY 16 HA2 GLY 16 14.946 -9.457 -4.825 91 HA3 GLY 16 HA1 GLY 16 13.911 -8.644 -5.993 92 H GLN 17 HN GLN 17 14.546 -6.602 -6.256 93 HA GLN 17 HA GLN 17 15.928 -5.161 -4.198 94 HB2 GLN 17 HB2 GLN 17 16.497 -4.826 -6.557 95 HB3 GLN 17 HB1 GLN 17 14.876 -4.230 -6.870 96 HG2 GLN 17 HG2 GLN 17 15.264 -2.320 -5.444 97 HG3 GLN 17 HG1 GLN 17 16.866 -2.929 -5.031 98 HE21 GLN 17 HE21 GLN 17 14.903 -1.471 -7.504 99 HE22 GLN 17 HE22 GLN 17 16.208 -1.003 -8.540 100 H LEU 18 HN LEU 18 14.485 -5.070 -2.500 101 HA LEU 18 HA LEU 18 11.966 -3.650 -2.965 102 HB2 LEU 18 HB2 LEU 18 12.852 -5.310 -0.606 103 HB3 LEU 18 HB1 LEU 18 11.283 -4.541 -0.774 104 HG LEU 18 HG LEU 18 12.280 -6.609 -2.719 105 HD11 LEU 18 HD11 LEU 18 10.870 -8.213 -1.520 106 HD12 LEU 18 HD12 LEU 18 10.589 -7.010 -0.265 107 HD13 LEU 18 HD13 LEU 18 12.212 -7.641 -0.532 108 HD21 LEU 18 HD21 LEU 18 9.914 -6.806 -3.258 109 HD22 LEU 18 HD22 LEU 18 10.506 -5.166 -3.522 110 HD23 LEU 18 HD23 LEU 18 9.544 -5.538 -2.092 111 H VAL 19 HN VAL 19 11.422 -1.840 -1.863 112 HA VAL 19 HA VAL 19 13.470 -0.644 -0.121 113 HB VAL 19 HB VAL 19 13.227 0.685 -2.130 114 HG11 VAL 19 HG11 VAL 19 10.284 0.764 -1.495 115 HG12 VAL 19 HG12 VAL 19 11.054 0.020 -2.899 116 HG13 VAL 19 HG13 VAL 19 11.078 1.773 -2.705 117 HG21 VAL 19 HG21 VAL 19 13.612 1.912 -0.084 118 HG22 VAL 19 HG22 VAL 19 11.879 1.993 0.225 119 HG23 VAL 19 HG23 VAL 19 12.567 2.847 -1.154 120 H SER 20 HN SER 20 12.879 -0.142 1.909 121 HA SER 20 HA SER 20 10.197 -1.007 2.691 122 HB2 SER 20 HB2 SER 20 12.062 -2.212 3.701 123 HB3 SER 20 HB1 SER 20 12.731 -0.706 4.320 124 HG SER 20 HG SER 20 10.877 -0.495 5.628 125 H CYS 21 HN CYS 21 8.963 0.115 4.169 126 HA CYS 21 HA CYS 21 9.014 2.960 3.896 127 HB2 CYS 21 HB2 CYS 21 6.971 1.395 4.137 128 HB3 CYS 21 HB1 CYS 21 7.338 1.392 5.861 129 H LYS 22 HN LYS 22 9.567 4.508 5.449 130 HA LYS 22 HA LYS 22 11.331 3.499 7.537 131 HB2 LYS 22 HB2 LYS 22 11.970 5.334 5.879 132 HB3 LYS 22 HB1 LYS 22 10.889 6.384 6.781 133 HG2 LYS 22 HG2 LYS 22 13.159 6.726 7.506 134 HG3 LYS 22 HG1 LYS 22 12.229 5.985 8.809 135 HD2 LYS 22 HD2 LYS 22 13.159 3.800 8.234 136 HD3 LYS 22 HD1 LYS 22 14.071 4.529 6.914 137 HE2 LYS 22 HE2 LYS 22 15.255 5.937 8.560 138 HE3 LYS 22 HE1 LYS 22 14.385 5.113 9.854 139 HZ1 LYS 22 HZ1 LYS 22 16.302 3.894 7.945 140 HZ2 LYS 22 HZ2 LYS 22 15.381 3.016 9.056 141 HZ3 LYS 22 HZ3 LYS 22 16.530 4.124 9.607 142 H LYS 23 HN LYS 23 8.208 3.768 7.538 143 HA LYS 23 HA LYS 23 7.991 5.303 10.026 144 HB2 LYS 23 HB2 LYS 23 6.410 5.937 8.253 145 HB3 LYS 23 HB1 LYS 23 5.789 4.291 8.216 146 HG2 LYS 23 HG2 LYS 23 4.949 4.496 10.459 147 HG3 LYS 23 HG1 LYS 23 5.694 6.084 10.633 148 HD2 LYS 23 HD2 LYS 23 3.491 5.366 8.697 149 HD3 LYS 23 HD1 LYS 23 3.291 6.254 10.208 150 HE2 LYS 23 HE2 LYS 23 4.790 8.013 9.348 151 HE3 LYS 23 HE1 LYS 23 4.912 7.142 7.822 152 HZ1 LYS 23 HZ1 LYS 23 2.476 7.375 7.611 153 HZ2 LYS 23 HZ2 LYS 23 3.297 8.853 7.597 154 HZ3 LYS 23 HZ3 LYS 23 2.470 8.353 8.989 155 HA PRO 24 HA PRO 24 8.014 1.407 12.298 156 HB2 PRO 24 HB2 PRO 24 6.890 3.322 14.296 157 HB3 PRO 24 HB1 PRO 24 8.173 2.123 14.491 158 HG2 PRO 24 HG2 PRO 24 8.790 4.682 14.268 159 HG3 PRO 24 HG1 PRO 24 9.758 3.456 13.427 160 HD2 PRO 24 HD2 PRO 24 7.684 5.319 12.325 161 HD3 PRO 24 HD1 PRO 24 9.218 4.783 11.604 162 H GLY 25 HN GLY 25 6.428 -0.085 12.531 163 HA2 GLY 25 HA2 GLY 25 4.236 -0.807 13.093 164 HA3 GLY 25 HA1 GLY 25 3.651 0.829 12.796 165 H CYS 26 HN CYS 26 5.372 0.784 10.266 166 HA CYS 26 HA CYS 26 3.387 -0.550 8.577 167 HB2 CYS 26 HB2 CYS 26 4.137 1.871 8.237 168 HB3 CYS 26 HB1 CYS 26 5.681 1.210 7.704 169 HA PRO 27 HA PRO 27 6.689 -3.610 8.165 170 HB2 PRO 27 HB2 PRO 27 5.149 -5.773 8.267 171 HB3 PRO 27 HB1 PRO 27 5.343 -4.762 9.707 172 HG2 PRO 27 HG2 PRO 27 3.039 -4.966 7.827 173 HG3 PRO 27 HG1 PRO 27 3.038 -4.675 9.581 174 HD2 PRO 27 HD2 PRO 27 2.854 -2.724 7.510 175 HD3 PRO 27 HD1 PRO 27 3.047 -2.432 9.255 176 H LYS 28 HN LYS 28 5.358 -2.182 5.857 177 HA LYS 28 HA LYS 28 5.115 -4.428 3.983 178 HB2 LYS 28 HB2 LYS 28 3.416 -2.243 4.430 179 HB3 LYS 28 HB1 LYS 28 4.214 -1.905 2.886 180 HG2 LYS 28 HG2 LYS 28 2.067 -3.138 2.651 181 HG3 LYS 28 HG1 LYS 28 3.456 -3.986 1.964 182 HD2 LYS 28 HD2 LYS 28 3.595 -5.412 3.931 183 HD3 LYS 28 HD1 LYS 28 2.275 -4.523 4.691 184 HE2 LYS 28 HE2 LYS 28 0.697 -5.376 3.195 185 HE3 LYS 28 HE1 LYS 28 1.933 -5.885 2.044 186 HZ1 LYS 28 HZ1 LYS 28 1.504 -7.073 4.731 187 HZ2 LYS 28 HZ2 LYS 28 2.654 -7.580 3.594 188 HZ3 LYS 28 HZ3 LYS 28 1.005 -7.759 3.271 189 H VAL 29 HN VAL 29 6.118 -4.384 1.984 190 HA VAL 29 HA VAL 29 8.184 -2.345 1.570 191 HB VAL 29 HB VAL 29 9.003 -4.518 2.754 192 HG11 VAL 29 HG11 VAL 29 8.924 -5.491 -0.083 193 HG12 VAL 29 HG12 VAL 29 7.908 -6.079 1.229 194 HG13 VAL 29 HG13 VAL 29 9.655 -6.317 1.293 195 HG21 VAL 29 HG21 VAL 29 10.335 -3.272 0.381 196 HG22 VAL 29 HG22 VAL 29 11.133 -4.449 1.425 197 HG23 VAL 29 HG23 VAL 29 10.577 -2.915 2.091 198 H TYR 30 HN TYR 30 8.909 -2.250 -0.668 199 HA TYR 30 HA TYR 30 7.274 -3.640 -2.656 200 HB2 TYR 30 HB2 TYR 30 7.286 -0.624 -2.365 201 HB3 TYR 30 HB1 TYR 30 6.595 -1.499 -3.724 202 HD1 TYR 30 HD1 TYR 30 4.662 -3.124 -3.202 203 HD2 TYR 30 HD2 TYR 30 5.982 -0.109 -0.506 204 HE1 TYR 30 HE1 TYR 30 2.502 -3.220 -2.046 205 HE2 TYR 30 HE2 TYR 30 3.819 -0.200 0.663 206 HH TYR 30 HH TYR 30 1.498 -0.885 0.200 207 H HIS 31 HN HIS 31 7.987 -3.021 -4.896 208 HA HIS 31 HA HIS 31 10.856 -2.545 -5.023 209 HB2 HIS 31 HB2 HIS 31 8.894 -2.902 -7.310 210 HB3 HIS 31 HB1 HIS 31 10.650 -2.926 -7.433 211 HD2 HIS 31 HD2 HIS 31 11.675 -5.163 -5.667 212 HE1 HIS 31 HE1 HIS 31 8.385 -7.499 -6.949 213 HE2 HIS 31 HE2 HIS 31 10.788 -7.567 -6.130 214 H ALA 32 HN ALA 32 11.771 -0.740 -5.987 215 HA ALA 32 HA ALA 32 10.384 1.697 -5.823 216 HB1 ALA 32 HB1 ALA 32 12.808 1.534 -5.603 217 HB2 ALA 32 HB2 ALA 32 12.363 2.672 -6.873 218 HB3 ALA 32 HB3 ALA 32 12.935 1.059 -7.296 219 H ASP 33 HN ASP 33 10.876 -0.596 -8.385 220 HA ASP 33 HA ASP 33 10.240 1.068 -10.574 221 HB2 ASP 33 HB2 ASP 33 11.427 -1.051 -10.858 222 HB3 ASP 33 HB1 ASP 33 9.997 -1.935 -10.344 223 H CYS 34 HN CYS 34 8.207 -1.180 -8.688 224 HA CYS 34 HA CYS 34 5.922 -0.725 -10.342 225 HB2 CYS 34 HB2 CYS 34 4.759 -1.883 -8.289 226 HB3 CYS 34 HB1 CYS 34 5.848 -2.822 -9.309 227 H LEU 35 HN LEU 35 7.328 0.887 -7.673 228 HA LEU 35 HA LEU 35 4.943 2.421 -7.057 229 HB2 LEU 35 HB2 LEU 35 7.791 2.798 -6.147 230 HB3 LEU 35 HB1 LEU 35 6.388 3.618 -5.494 231 HG LEU 35 HG LEU 35 6.849 0.643 -5.331 232 HD11 LEU 35 HD11 LEU 35 8.524 1.700 -4.032 233 HD12 LEU 35 HD12 LEU 35 7.263 1.179 -2.915 234 HD13 LEU 35 HD13 LEU 35 7.375 2.871 -3.390 235 HD21 LEU 35 HD21 LEU 35 4.842 2.436 -3.971 236 HD22 LEU 35 HD22 LEU 35 5.050 0.712 -3.673 237 HD23 LEU 35 HD23 LEU 35 4.488 1.273 -5.247 238 H ASN 36 HN ASN 36 7.152 2.410 -9.473 239 HA ASN 36 HA ASN 36 7.797 3.815 -11.108 240 HB2 ASN 36 HB2 ASN 36 5.434 5.396 -10.098 241 HB3 ASN 36 HB1 ASN 36 6.350 5.834 -11.534 242 HD21 ASN 36 HD21 ASN 36 4.076 3.633 -10.144 243 HD22 ASN 36 HD22 ASN 36 3.648 2.823 -11.610 244 H LEU 37 HN LEU 37 9.140 3.987 -8.633 245 HA LEU 37 HA LEU 37 9.624 6.767 -8.058 246 HB2 LEU 37 HB2 LEU 37 10.944 4.230 -7.128 247 HB3 LEU 37 HB1 LEU 37 11.491 5.818 -6.635 248 HG LEU 37 HG LEU 37 8.786 4.606 -6.048 249 HD11 LEU 37 HD11 LEU 37 9.534 4.582 -3.746 250 HD12 LEU 37 HD12 LEU 37 11.081 5.282 -4.215 251 HD13 LEU 37 HD13 LEU 37 10.653 3.658 -4.748 252 HD21 LEU 37 HD21 LEU 37 8.599 7.007 -6.369 253 HD22 LEU 37 HD22 LEU 37 9.942 7.275 -5.256 254 HD23 LEU 37 HD23 LEU 37 8.426 6.595 -4.663 255 H THR 38 HN THR 38 10.228 7.422 -10.228 256 HA THR 38 HA THR 38 12.675 6.516 -11.377 257 HB THR 38 HB THR 38 11.312 9.173 -11.852 258 HG1 THR 38 HG1 THR 38 10.723 6.556 -12.777 259 HG21 THR 38 HG21 THR 38 13.069 7.462 -13.617 260 HG22 THR 38 HG22 THR 38 13.550 8.961 -12.823 261 HG23 THR 38 HG23 THR 38 12.314 8.989 -14.079 262 H LYS 39 HN LYS 39 11.778 8.915 -9.007 263 HA LYS 39 HA LYS 39 14.586 9.747 -8.802 264 HB2 LYS 39 HB2 LYS 39 12.879 11.551 -9.130 265 HB3 LYS 39 HB1 LYS 39 12.173 11.094 -7.586 266 HG2 LYS 39 HG2 LYS 39 14.334 11.604 -6.491 267 HG3 LYS 39 HG1 LYS 39 14.951 12.163 -8.047 268 HD2 LYS 39 HD2 LYS 39 13.136 13.841 -8.119 269 HD3 LYS 39 HD1 LYS 39 12.620 13.313 -6.517 270 HE2 LYS 39 HE2 LYS 39 15.274 14.545 -7.250 271 HE3 LYS 39 HE1 LYS 39 13.981 15.299 -6.322 272 HZ1 LYS 39 HZ1 LYS 39 15.550 12.920 -5.486 273 HZ2 LYS 39 HZ2 LYS 39 14.301 13.633 -4.599 274 HZ3 LYS 39 HZ3 LYS 39 15.730 14.489 -4.883 275 H ARG 40 HN ARG 40 15.720 9.274 -7.021 276 HA ARG 40 HA ARG 40 14.605 7.374 -5.172 277 HB2 ARG 40 HB2 ARG 40 16.852 7.042 -6.028 278 HB3 ARG 40 HB1 ARG 40 17.354 8.606 -5.401 279 HG2 ARG 40 HG2 ARG 40 16.841 7.737 -3.103 280 HG3 ARG 40 HG1 ARG 40 16.627 6.146 -3.836 281 HD2 ARG 40 HD2 ARG 40 18.878 6.385 -2.945 282 HD3 ARG 40 HD1 ARG 40 18.915 6.244 -4.703 283 HE ARG 40 HE ARG 40 18.846 8.956 -4.097 284 HH11 ARG 40 HH11 ARG 40 20.995 6.244 -3.601 285 HH12 ARG 40 HH12 ARG 40 22.433 7.218 -3.617 286 HH21 ARG 40 HH21 ARG 40 20.720 10.241 -4.110 287 HH22 ARG 40 HH22 ARG 40 22.276 9.498 -3.905 288 HA PRO 41 HA PRO 41 13.628 10.493 -2.064 289 HB2 PRO 41 HB2 PRO 41 13.009 8.749 -0.076 290 HB3 PRO 41 HB1 PRO 41 11.896 9.141 -1.391 291 HG2 PRO 41 HG2 PRO 41 13.716 6.780 -1.085 292 HG3 PRO 41 HG1 PRO 41 12.021 6.826 -1.618 293 HD2 PRO 41 HD2 PRO 41 14.055 6.634 -3.378 294 HD3 PRO 41 HD1 PRO 41 12.578 7.545 -3.757 295 H ALA 42 HN ALA 42 14.447 11.082 0.067 296 HA ALA 42 HA ALA 42 17.054 9.864 0.683 297 HB1 ALA 42 HB1 ALA 42 17.945 12.115 1.127 298 HB2 ALA 42 HB2 ALA 42 16.423 12.811 0.569 299 HB3 ALA 42 HB3 ALA 42 17.446 11.913 -0.552 300 H GLY 43 HN GLY 43 17.280 9.312 2.774 301 HA2 GLY 43 HA2 GLY 43 17.163 9.560 5.090 302 HA3 GLY 43 HA1 GLY 43 16.084 10.929 4.859 303 H LYS 44 HN LYS 44 14.009 10.647 5.315 304 HA LYS 44 HA LYS 44 13.102 7.922 5.854 305 HB2 LYS 44 HB2 LYS 44 11.797 10.557 6.549 306 HB3 LYS 44 HB1 LYS 44 11.228 8.968 7.037 307 HG2 LYS 44 HG2 LYS 44 13.441 8.679 8.221 308 HG3 LYS 44 HG1 LYS 44 13.714 10.396 7.925 309 HD2 LYS 44 HD2 LYS 44 11.386 9.204 9.431 310 HD3 LYS 44 HD1 LYS 44 12.775 10.019 10.149 311 HE2 LYS 44 HE2 LYS 44 12.157 12.097 9.084 312 HE3 LYS 44 HE1 LYS 44 10.841 11.302 8.223 313 HZ1 LYS 44 HZ1 LYS 44 10.029 12.505 10.146 314 HZ2 LYS 44 HZ2 LYS 44 11.038 11.615 11.168 315 HZ3 LYS 44 HZ3 LYS 44 9.780 10.844 10.344 316 H TRP 45 HN TRP 45 12.104 6.921 4.264 317 HA TRP 45 HA TRP 45 10.507 8.476 2.381 318 HB2 TRP 45 HB2 TRP 45 12.078 7.031 1.285 319 HB3 TRP 45 HB1 TRP 45 11.583 5.657 2.265 320 HD1 TRP 45 HD1 TRP 45 10.046 7.994 -0.426 321 HE1 TRP 45 HE1 TRP 45 8.360 6.622 -1.798 322 HE3 TRP 45 HE3 TRP 45 10.328 3.583 2.132 323 HZ2 TRP 45 HZ2 TRP 45 7.306 4.008 -1.806 324 HZ3 TRP 45 HZ3 TRP 45 8.952 1.688 1.371 325 HH2 TRP 45 HH2 TRP 45 7.470 1.897 -0.553 326 H GLU 46 HN GLU 46 8.370 8.438 2.435 327 HA GLU 46 HA GLU 46 7.043 6.534 4.233 328 HB2 GLU 46 HB2 GLU 46 6.791 9.031 4.577 329 HB3 GLU 46 HB1 GLU 46 5.926 9.081 3.048 330 HG2 GLU 46 HG2 GLU 46 4.179 7.706 3.916 331 HG3 GLU 46 HG1 GLU 46 5.085 7.418 5.402 332 H CYS 47 HN CYS 47 5.856 4.932 3.337 333 HA CYS 47 HA CYS 47 5.874 4.571 0.529 334 HB2 CYS 47 HB2 CYS 47 4.822 2.481 0.903 335 HB3 CYS 47 HB1 CYS 47 5.863 2.732 2.297 336 HA PRO 48 HA PRO 48 2.193 6.643 -0.731 337 HB2 PRO 48 HB2 PRO 48 1.521 5.142 -2.914 338 HB3 PRO 48 HB1 PRO 48 2.838 6.322 -2.908 339 HG2 PRO 48 HG2 PRO 48 2.946 3.354 -2.649 340 HG3 PRO 48 HG1 PRO 48 4.034 4.451 -3.518 341 HD2 PRO 48 HD2 PRO 48 4.625 3.374 -1.092 342 HD3 PRO 48 HD1 PRO 48 5.241 4.948 -1.633 343 H TRP 49 HN TRP 49 2.200 3.611 0.586 344 HA TRP 49 HA TRP 49 -0.573 2.928 0.230 345 HB2 TRP 49 HB2 TRP 49 1.477 1.375 0.784 346 HB3 TRP 49 HB1 TRP 49 1.166 1.868 2.450 347 HD1 TRP 49 HD1 TRP 49 -1.532 0.962 -0.185 348 HE1 TRP 49 HE1 TRP 49 -2.858 -1.066 0.695 349 HE3 TRP 49 HE3 TRP 49 1.147 0.021 4.078 350 HZ2 TRP 49 HZ2 TRP 49 -2.787 -2.815 2.904 351 HZ3 TRP 49 HZ3 TRP 49 0.448 -1.844 5.519 352 HH2 TRP 49 HH2 TRP 49 -1.480 -3.236 4.940 353 H HIS 50 HN HIS 50 1.070 5.242 1.996 354 HA HIS 50 HA HIS 50 -1.097 5.466 3.966 355 HB2 HIS 50 HB2 HIS 50 1.433 7.116 3.776 356 HB3 HIS 50 HB1 HIS 50 0.268 7.115 5.101 357 HD1 HIS 50 HD1 HIS 50 0.116 3.934 5.380 358 HD2 HIS 50 HD2 HIS 50 3.548 6.256 5.175 359 HE1 HIS 50 HE1 HIS 50 1.953 2.592 6.500 360 H GLN 51 HN GLN 51 -0.829 6.214 0.923 361 HA GLN 51 HA GLN 51 -1.785 8.980 1.222 362 HB2 GLN 51 HB2 GLN 51 -0.155 7.829 -1.043 363 HB3 GLN 51 HB1 GLN 51 -0.841 9.447 -1.015 364 HG2 GLN 51 HG2 GLN 51 1.093 8.428 1.037 365 HG3 GLN 51 HG1 GLN 51 1.576 9.299 -0.416 366 HE21 GLN 51 HE21 GLN 51 -0.030 9.546 2.684 367 HE22 GLN 51 HE22 GLN 51 -0.024 11.273 2.750 368 H CYS 52 HN CYS 52 -3.633 9.513 0.310 369 HA CYS 52 HA CYS 52 -5.367 7.527 -0.727 370 HB2 CYS 52 HB2 CYS 52 -6.177 9.524 0.464 371 HB3 CYS 52 HB1 CYS 52 -5.566 10.544 -0.827 372 H ASP 53 HN ASP 53 -5.333 6.699 -2.702 373 HA ASP 53 HA ASP 53 -3.549 7.640 -4.693 374 HB2 ASP 53 HB2 ASP 53 -4.368 5.250 -4.362 375 HB3 ASP 53 HB1 ASP 53 -5.854 5.743 -5.168 376 H VAL 54 HN VAL 54 -6.574 8.757 -3.807 377 HA VAL 54 HA VAL 54 -7.309 9.660 -6.472 378 HB VAL 54 HB VAL 54 -8.732 10.108 -3.845 379 HG11 VAL 54 HG11 VAL 54 -9.608 10.598 -6.687 380 HG12 VAL 54 HG12 VAL 54 -9.271 11.825 -5.463 381 HG13 VAL 54 HG13 VAL 54 -10.640 10.731 -5.263 382 HG21 VAL 54 HG21 VAL 54 -9.281 8.129 -6.053 383 HG22 VAL 54 HG22 VAL 54 -10.306 8.409 -4.644 384 HG23 VAL 54 HG23 VAL 54 -8.683 7.748 -4.439 385 H CYS 55 HN CYS 55 -6.710 11.187 -3.267 386 HA CYS 55 HA CYS 55 -6.401 13.715 -4.737 387 HB2 CYS 55 HB2 CYS 55 -7.135 14.876 -2.733 388 HB3 CYS 55 HB1 CYS 55 -8.315 13.671 -3.229 389 H GLY 56 HN GLY 56 -4.601 11.474 -2.955 390 HA2 GLY 56 HA2 GLY 56 -2.319 11.559 -2.541 391 HA3 GLY 56 HA1 GLY 56 -2.333 13.262 -2.976 392 H LYS 57 HN LYS 57 -4.745 12.913 -0.763 393 HA LYS 57 HA LYS 57 -3.168 13.972 1.386 394 HB2 LYS 57 HB2 LYS 57 -6.060 13.110 1.276 395 HB3 LYS 57 HB1 LYS 57 -5.307 13.853 2.679 396 HG2 LYS 57 HG2 LYS 57 -4.837 15.858 1.352 397 HG3 LYS 57 HG1 LYS 57 -5.640 15.112 -0.033 398 HD2 LYS 57 HD2 LYS 57 -7.714 14.954 1.269 399 HD3 LYS 57 HD1 LYS 57 -6.907 15.724 2.635 400 HE2 LYS 57 HE2 LYS 57 -6.548 17.733 1.300 401 HE3 LYS 57 HE1 LYS 57 -7.321 16.963 -0.084 402 HZ1 LYS 57 HZ1 LYS 57 -9.373 16.833 1.167 403 HZ2 LYS 57 HZ2 LYS 57 -8.838 18.435 1.095 404 HZ3 LYS 57 HZ3 LYS 57 -8.636 17.539 2.515 405 H GLU 58 HN GLU 58 -3.471 12.973 3.638 406 HA GLU 58 HA GLU 58 -2.253 10.447 3.657 407 HB2 GLU 58 HB2 GLU 58 -2.068 12.169 5.458 408 HB3 GLU 58 HB1 GLU 58 -3.715 11.783 5.935 409 HG2 GLU 58 HG2 GLU 58 -3.014 9.470 6.395 410 HG3 GLU 58 HG1 GLU 58 -1.358 9.915 5.982 411 H ALA 59 HN ALA 59 -3.051 8.465 3.624 412 HA ALA 59 HA ALA 59 -5.866 8.093 3.186 413 HB1 ALA 59 HB1 ALA 59 -3.584 6.135 3.283 414 HB2 ALA 59 HB2 ALA 59 -4.290 6.871 1.840 415 HB3 ALA 59 HB3 ALA 59 -5.240 5.747 2.812 416 H ALA 60 HN ALA 60 -7.301 6.965 4.428 417 HA ALA 60 HA ALA 60 -6.472 6.399 7.194 418 HB1 ALA 60 HB1 ALA 60 -8.820 6.681 7.793 419 HB2 ALA 60 HB2 ALA 60 -9.222 6.973 6.101 420 HB3 ALA 60 HB3 ALA 60 -8.200 8.114 6.973 421 H SER 61 HN SER 61 -7.930 5.106 4.312 422 HA SER 61 HA SER 61 -8.110 2.482 5.627 423 HB2 SER 61 HB2 SER 61 -9.788 1.931 3.870 424 HB3 SER 61 HB1 SER 61 -10.301 3.250 4.915 425 HG SER 61 HG SER 61 -10.356 3.363 2.402 426 H PHE 62 HN PHE 62 -7.364 0.669 4.420 427 HA PHE 62 HA PHE 62 -5.507 1.378 2.248 428 HB2 PHE 62 HB2 PHE 62 -4.850 -0.686 4.352 429 HB3 PHE 62 HB1 PHE 62 -3.750 0.139 3.241 430 HD1 PHE 62 HD1 PHE 62 -5.241 0.140 6.493 431 HD2 PHE 62 HD2 PHE 62 -3.326 2.626 3.618 432 HE1 PHE 62 HE1 PHE 62 -4.776 1.801 8.243 433 HE2 PHE 62 HE2 PHE 62 -2.861 4.288 5.366 434 HZ PHE 62 HZ PHE 62 -3.583 3.879 7.682 435 H CYS 63 HN CYS 63 -5.873 0.158 0.457 436 HA CYS 63 HA CYS 63 -7.538 -2.151 0.519 437 HB2 CYS 63 HB2 CYS 63 -7.222 -0.691 -1.517 438 HB3 CYS 63 HB1 CYS 63 -5.615 -1.391 -1.693 439 H GLU 64 HN GLU 64 -7.024 -4.148 1.066 440 HA GLU 64 HA GLU 64 -4.258 -4.744 1.729 441 HB2 GLU 64 HB2 GLU 64 -6.791 -6.341 2.124 442 HB3 GLU 64 HB1 GLU 64 -5.204 -6.837 2.688 443 HG2 GLU 64 HG2 GLU 64 -5.109 -4.841 4.120 444 HG3 GLU 64 HG1 GLU 64 -6.721 -4.389 3.569 445 H MET 65 HN MET 65 -5.405 -4.583 -1.093 446 HA MET 65 HA MET 65 -4.182 -7.109 -1.969 447 HB2 MET 65 HB2 MET 65 -6.548 -5.745 -3.265 448 HB3 MET 65 HB1 MET 65 -5.715 -7.173 -3.885 449 HG2 MET 65 HG2 MET 65 -6.382 -8.433 -1.910 450 HG3 MET 65 HG1 MET 65 -7.199 -7.008 -1.266 451 HE1 MET 65 HE1 MET 65 -7.091 -9.642 -4.152 452 HE2 MET 65 HE2 MET 65 -7.110 -8.126 -5.053 453 HE3 MET 65 HE3 MET 65 -8.505 -9.201 -5.109 454 H CYS 66 HN CYS 66 -3.982 -3.752 -2.044 455 HA CYS 66 HA CYS 66 -1.913 -3.787 -3.992 456 HB2 CYS 66 HB2 CYS 66 -2.912 -2.592 -5.777 457 HB3 CYS 66 HB1 CYS 66 -4.079 -3.847 -5.375 458 HA PRO 67 HA PRO 67 -0.901 -0.027 -1.868 459 HB2 PRO 67 HB2 PRO 67 0.160 1.235 -4.289 460 HB3 PRO 67 HB1 PRO 67 1.031 0.621 -2.882 461 HG2 PRO 67 HG2 PRO 67 1.178 -0.586 -5.281 462 HG3 PRO 67 HG1 PRO 67 1.225 -1.498 -3.759 463 HD2 PRO 67 HD2 PRO 67 -1.110 -1.049 -5.613 464 HD3 PRO 67 HD1 PRO 67 -0.560 -2.563 -4.848 465 H SER 68 HN SER 68 -3.566 -0.032 -3.477 466 HA SER 68 HA SER 68 -3.855 2.852 -3.828 467 HB2 SER 68 HB2 SER 68 -5.875 0.643 -4.302 468 HB3 SER 68 HB1 SER 68 -6.082 2.346 -4.713 469 HG SER 68 HG SER 68 -4.834 2.106 -6.404 470 H SER 69 HN SER 69 -3.758 3.612 -1.767 471 HA SER 69 HA SER 69 -5.794 2.702 0.126 472 HB2 SER 69 HB2 SER 69 -4.403 4.374 1.611 473 HB3 SER 69 HB1 SER 69 -3.758 2.769 1.259 474 HG SER 69 HG SER 69 -3.138 5.183 -0.126 475 H PHE 70 HN PHE 70 -7.040 4.429 1.304 476 HA PHE 70 HA PHE 70 -7.497 6.762 -0.436 477 HB2 PHE 70 HB2 PHE 70 -9.676 4.972 0.671 478 HB3 PHE 70 HB1 PHE 70 -9.923 6.441 -0.276 479 HD1 PHE 70 HD1 PHE 70 -8.937 6.473 -2.648 480 HD2 PHE 70 HD2 PHE 70 -9.527 2.918 -0.385 481 HE1 PHE 70 HE1 PHE 70 -8.889 5.151 -4.722 482 HE2 PHE 70 HE2 PHE 70 -9.481 1.588 -2.455 483 HZ PHE 70 HZ PHE 70 -9.156 2.699 -4.623 484 H CYS 71 HN CYS 71 -8.410 8.574 0.577 485 HA CYS 71 HA CYS 71 -7.829 8.812 3.386 486 HB2 CYS 71 HB2 CYS 71 -8.399 11.149 3.128 487 HB3 CYS 71 HB1 CYS 71 -7.415 10.660 1.752 488 H LYS 72 HN LYS 72 -9.600 10.077 4.730 489 HA LYS 72 HA LYS 72 -11.678 8.309 5.245 490 HB2 LYS 72 HB2 LYS 72 -11.449 11.244 5.888 491 HB3 LYS 72 HB1 LYS 72 -12.710 10.200 6.531 492 HG2 LYS 72 HG2 LYS 72 -11.004 8.807 7.600 493 HG3 LYS 72 HG1 LYS 72 -9.749 9.865 6.957 494 HD2 LYS 72 HD2 LYS 72 -10.696 11.740 8.217 495 HD3 LYS 72 HD1 LYS 72 -11.936 10.667 8.870 496 HE2 LYS 72 HE2 LYS 72 -8.971 10.304 9.238 497 HE3 LYS 72 HE1 LYS 72 -10.043 11.050 10.421 498 HZ1 LYS 72 HZ1 LYS 72 -11.255 8.966 10.572 499 HZ2 LYS 72 HZ2 LYS 72 -9.622 8.729 10.933 500 HZ3 LYS 72 HZ3 LYS 72 -10.230 8.255 9.433 501 H GLN 73 HN GLN 73 -11.600 11.080 3.097 502 HA GLN 73 HA GLN 73 -14.423 11.119 2.638 503 HB2 GLN 73 HB2 GLN 73 -12.983 13.121 2.453 504 HB3 GLN 73 HB1 GLN 73 -12.210 12.404 1.046 505 HG2 GLN 73 HG2 GLN 73 -14.331 12.420 -0.143 506 HG3 GLN 73 HG1 GLN 73 -15.127 13.111 1.271 507 HE21 GLN 73 HE21 GLN 73 -12.943 13.706 -1.369 508 HE22 GLN 73 HE22 GLN 73 -12.935 15.430 -1.235 509 H HIS 74 HN HIS 74 -11.621 9.903 0.837 510 HA HIS 74 HA HIS 74 -13.399 9.150 -1.356 511 HB2 HIS 74 HB2 HIS 74 -10.382 9.196 -1.177 512 HB3 HIS 74 HB1 HIS 74 -11.282 8.645 -2.593 513 HD2 HIS 74 HD2 HIS 74 -13.489 11.062 -2.633 514 HE1 HIS 74 HE1 HIS 74 -10.067 13.511 -2.987 515 HE2 HIS 74 HE2 HIS 74 -12.530 13.298 -3.535 516 H ARG 75 HN ARG 75 -13.018 7.650 1.318 517 HA ARG 75 HA ARG 75 -12.260 5.064 0.197 518 HB2 ARG 75 HB2 ARG 75 -12.345 4.210 2.475 519 HB3 ARG 75 HB1 ARG 75 -11.282 5.601 2.345 520 HG2 ARG 75 HG2 ARG 75 -13.131 7.002 3.255 521 HG3 ARG 75 HG1 ARG 75 -14.042 5.514 3.530 522 HD2 ARG 75 HD2 ARG 75 -12.224 4.676 4.945 523 HD3 ARG 75 HD1 ARG 75 -11.326 6.163 4.682 524 HE ARG 75 HE ARG 75 -13.606 7.102 5.715 525 HH11 ARG 75 HH11 ARG 75 -11.584 4.418 6.704 526 HH12 ARG 75 HH12 ARG 75 -11.938 4.604 8.390 527 HH21 ARG 75 HH21 ARG 75 -14.074 7.352 7.946 528 HH22 ARG 75 HH22 ARG 75 -13.347 6.276 9.100 529 H GLU 76 HN GLU 76 -15.055 6.873 0.998 530 HA GLU 76 HA GLU 76 -16.829 4.720 1.484 531 HB2 GLU 76 HB2 GLU 76 -17.313 7.548 0.549 532 HB3 GLU 76 HB1 GLU 76 -18.609 6.414 0.902 533 HG2 GLU 76 HG2 GLU 76 -17.796 6.235 3.214 534 HG3 GLU 76 HG1 GLU 76 -16.539 7.413 2.851 535 H GLY 77 HN GLY 77 -17.600 3.266 0.086 536 HA2 GLY 77 HA2 GLY 77 -18.443 2.379 -1.866 537 HA3 GLY 77 HA1 GLY 77 -18.365 3.983 -2.578 538 H MET 78 HN MET 78 -15.350 3.621 -1.517 539 HA MET 78 HA MET 78 -14.464 2.581 -4.115 540 HB2 MET 78 HB2 MET 78 -12.999 4.260 -2.063 541 HB3 MET 78 HB1 MET 78 -12.284 3.662 -3.552 542 HG2 MET 78 HG2 MET 78 -14.641 5.538 -3.377 543 HG3 MET 78 HG1 MET 78 -12.977 6.004 -3.734 544 HE1 MET 78 HE1 MET 78 -12.056 3.537 -5.615 545 HE2 MET 78 HE2 MET 78 -11.665 5.232 -5.906 546 HE3 MET 78 HE3 MET 78 -12.374 4.256 -7.193 547 H LEU 79 HN LEU 79 -14.280 1.969 -0.693 548 HA LEU 79 HA LEU 79 -12.626 -0.396 -1.263 549 HB2 LEU 79 HB2 LEU 79 -11.570 1.569 0.063 550 HB3 LEU 79 HB1 LEU 79 -12.626 1.061 1.370 551 HG LEU 79 HG LEU 79 -11.541 -1.177 1.328 552 HD11 LEU 79 HD11 LEU 79 -9.698 0.153 -0.653 553 HD12 LEU 79 HD12 LEU 79 -10.754 -1.226 -0.959 554 HD13 LEU 79 HD13 LEU 79 -9.391 -1.389 0.144 555 HD21 LEU 79 HD21 LEU 79 -9.368 -0.378 2.272 556 HD22 LEU 79 HD22 LEU 79 -10.798 0.403 2.947 557 HD23 LEU 79 HD23 LEU 79 -9.812 1.248 1.753 558 H PHE 80 HN PHE 80 -13.312 -2.303 -0.335 559 HA PHE 80 HA PHE 80 -15.488 -2.274 1.598 560 HB2 PHE 80 HB2 PHE 80 -16.829 -3.866 0.202 561 HB3 PHE 80 HB1 PHE 80 -16.712 -2.257 -0.494 562 HD1 PHE 80 HD1 PHE 80 -15.643 -1.896 -2.611 563 HD2 PHE 80 HD2 PHE 80 -15.542 -5.742 -0.774 564 HE1 PHE 80 HE1 PHE 80 -14.817 -2.880 -4.703 565 HE2 PHE 80 HE2 PHE 80 -14.714 -6.719 -2.871 566 HZ PHE 80 HZ PHE 80 -14.349 -5.289 -4.837 567 H ILE 81 HN ILE 81 -15.923 -4.511 2.416 568 HA ILE 81 HA ILE 81 -13.415 -5.944 2.698 569 HB ILE 81 HB ILE 81 -16.076 -6.193 4.077 570 HG12 ILE 81 HG12 ILE 81 -14.488 -4.386 4.755 571 HG13 ILE 81 HG11 ILE 81 -14.851 -5.529 6.043 572 HG21 ILE 81 HG21 ILE 81 -13.684 -7.995 4.361 573 HG22 ILE 81 HG22 ILE 81 -15.295 -8.447 3.800 574 HG23 ILE 81 HG23 ILE 81 -15.050 -7.955 5.476 575 HD11 ILE 81 HD11 ILE 81 -12.722 -6.685 5.549 576 HD12 ILE 81 HD12 ILE 81 -12.520 -5.019 6.082 577 HD13 ILE 81 HD13 ILE 81 -12.351 -5.421 4.376 578 H SER 82 HN SER 82 -12.881 -7.673 1.592 579 HA SER 82 HA SER 82 -14.588 -8.848 -0.349 580 HB2 SER 82 HB2 SER 82 -12.208 -8.844 -0.737 581 HB3 SER 82 HB1 SER 82 -11.911 -9.704 0.773 582 HG SER 82 HG SER 82 -12.684 -10.660 -1.691 583 H LYS 83 HN LYS 83 -15.972 -10.477 -0.154 584 HA LYS 83 HA LYS 83 -16.506 -11.626 2.405 585 HB2 LYS 83 HB2 LYS 83 -17.592 -12.328 -0.322 586 HB3 LYS 83 HB1 LYS 83 -18.227 -12.920 1.207 587 HG2 LYS 83 HG2 LYS 83 -18.789 -10.643 1.867 588 HG3 LYS 83 HG1 LYS 83 -18.133 -10.036 0.347 589 HD2 LYS 83 HD2 LYS 83 -19.805 -11.384 -0.871 590 HD3 LYS 83 HD1 LYS 83 -20.487 -11.892 0.674 591 HE2 LYS 83 HE2 LYS 83 -20.993 -9.565 1.219 592 HE3 LYS 83 HE1 LYS 83 -20.300 -9.049 -0.317 593 HZ1 LYS 83 HZ1 LYS 83 -22.678 -10.794 0.019 594 HZ2 LYS 83 HZ2 LYS 83 -22.000 -10.339 -1.462 595 HZ3 LYS 83 HZ3 LYS 83 -22.691 -9.171 -0.455 596 H LEU 84 HN LEU 84 -14.362 -12.365 -0.089 597 HA LEU 84 HA LEU 84 -14.293 -15.211 0.384 598 HB2 LEU 84 HB2 LEU 84 -12.678 -13.376 -1.362 599 HB3 LEU 84 HB1 LEU 84 -12.288 -15.072 -1.180 600 HG LEU 84 HG LEU 84 -13.499 -14.781 -3.226 601 HD11 LEU 84 HD11 LEU 84 -15.320 -15.981 -1.151 602 HD12 LEU 84 HD12 LEU 84 -13.982 -16.803 -1.953 603 HD13 LEU 84 HD13 LEU 84 -15.382 -16.275 -2.887 604 HD21 LEU 84 HD21 LEU 84 -15.761 -13.872 -3.308 605 HD22 LEU 84 HD22 LEU 84 -14.611 -12.672 -2.722 606 HD23 LEU 84 HD23 LEU 84 -15.678 -13.499 -1.587 607 H ASP 85 HN ASP 85 -12.011 -12.506 0.756 608 HA ASP 85 HA ASP 85 -10.378 -14.237 2.478 609 HB2 ASP 85 HB2 ASP 85 -9.666 -11.835 0.813 610 HB3 ASP 85 HB1 ASP 85 -8.595 -12.447 2.064 611 H GLY 86 HN GLY 86 -12.512 -11.650 2.696 612 HA2 GLY 86 HA2 GLY 86 -13.110 -10.344 4.500 613 HA3 GLY 86 HA1 GLY 86 -11.899 -11.186 5.455 614 H ARG 87 HN ARG 87 -10.549 -10.048 2.656 615 HA ARG 87 HA ARG 87 -9.095 -7.995 4.086 616 HB2 ARG 87 HB2 ARG 87 -8.831 -9.175 1.321 617 HB3 ARG 87 HB1 ARG 87 -7.801 -7.884 1.917 618 HG2 ARG 87 HG2 ARG 87 -6.983 -9.335 3.691 619 HG3 ARG 87 HG1 ARG 87 -8.045 -10.629 3.128 620 HD2 ARG 87 HD2 ARG 87 -6.886 -10.657 0.988 621 HD3 ARG 87 HD1 ARG 87 -5.844 -9.340 1.524 622 HE ARG 87 HE ARG 87 -5.342 -11.163 3.393 623 HH11 ARG 87 HH11 ARG 87 -5.598 -11.526 -0.076 624 HH12 ARG 87 HH12 ARG 87 -4.409 -12.786 -0.163 625 HH21 ARG 87 HH21 ARG 87 -3.788 -12.844 3.288 626 HH22 ARG 87 HH22 ARG 87 -3.389 -13.551 1.752 627 H LEU 88 HN LEU 88 -8.982 -5.832 3.474 628 HA LEU 88 HA LEU 88 -11.304 -4.687 2.281 629 HB2 LEU 88 HB2 LEU 88 -8.616 -3.557 3.042 630 HB3 LEU 88 HB1 LEU 88 -9.876 -2.583 2.324 631 HG LEU 88 HG LEU 88 -10.367 -4.119 4.851 632 HD11 LEU 88 HD11 LEU 88 -8.385 -2.717 5.207 633 HD12 LEU 88 HD12 LEU 88 -9.778 -2.116 6.106 634 HD13 LEU 88 HD13 LEU 88 -9.277 -1.316 4.615 635 HD21 LEU 88 HD21 LEU 88 -12.322 -3.261 3.704 636 HD22 LEU 88 HD22 LEU 88 -11.594 -1.658 3.613 637 HD23 LEU 88 HD23 LEU 88 -12.041 -2.336 5.177 638 H SER 89 HN SER 89 -11.731 -4.528 0.190 639 HA SER 89 HA SER 89 -9.480 -4.598 -1.706 640 HB2 SER 89 HB2 SER 89 -10.845 -6.717 -1.593 641 HB3 SER 89 HB1 SER 89 -12.225 -5.787 -2.168 642 HG SER 89 HG SER 89 -9.954 -6.648 -3.516 643 H CYS 90 HN CYS 90 -9.482 -3.086 -3.279 644 HA CYS 90 HA CYS 90 -11.445 -0.965 -3.117 645 HB2 CYS 90 HB2 CYS 90 -9.945 0.299 -4.535 646 HB3 CYS 90 HB1 CYS 90 -8.981 -0.506 -3.297 647 H THR 91 HN THR 91 -12.267 -0.013 -5.214 648 HA THR 91 HA THR 91 -13.767 -2.009 -6.578 649 HB THR 91 HB THR 91 -14.567 -0.016 -7.942 650 HG1 THR 91 HG1 THR 91 -13.289 1.662 -7.759 651 HG21 THR 91 HG21 THR 91 -15.850 0.926 -6.049 652 HG22 THR 91 HG22 THR 91 -14.803 0.048 -4.934 653 HG23 THR 91 HG23 THR 91 -15.837 -0.835 -6.057 654 H GLU 92 HN GLU 92 -10.653 -1.319 -7.032 655 HA GLU 92 HA GLU 92 -10.681 -1.246 -9.949 656 HB2 GLU 92 HB2 GLU 92 -8.405 -1.141 -7.961 657 HB3 GLU 92 HB1 GLU 92 -8.212 -1.056 -9.705 658 HG2 GLU 92 HG2 GLU 92 -9.855 0.916 -8.150 659 HG3 GLU 92 HG1 GLU 92 -8.133 1.129 -8.455 660 H HIS 93 HN HIS 93 -11.346 -3.617 -8.026 661 HA HIS 93 HA HIS 93 -9.456 -5.529 -9.237 662 HB2 HIS 93 HB2 HIS 93 -10.653 -5.618 -6.462 663 HB3 HIS 93 HB1 HIS 93 -9.712 -6.915 -7.183 664 HD1 HIS 93 HD1 HIS 93 -7.782 -4.350 -8.390 665 HD2 HIS 93 HD2 HIS 93 -8.552 -5.668 -4.525 666 HE1 HIS 93 HE1 HIS 93 -5.879 -3.500 -6.952 667 H ASP 94 HN ASP 94 -11.678 -5.036 -10.632 668 HA ASP 94 HA ASP 94 -13.628 -7.096 -9.963 669 HB2 ASP 94 HB2 ASP 94 -13.575 -4.870 -11.969 670 HB3 ASP 94 HB1 ASP 94 -14.648 -6.242 -12.220 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 9.359 0.484 7.666 2 H2 GLY 1 HT2 GLY 1 8.273 0.959 8.875 3 H3 GLY 1 HT3 GLY 1 8.708 -0.669 8.722 4 HA2 GLY 1 HA1 GLY 1 10.519 1.550 9.483 5 HA3 GLY 1 HA2 GLY 1 9.849 0.354 10.583 6 H ALA 2 HN ALA 2 12.090 -0.122 11.100 7 HA ALA 2 HA ALA 2 13.479 -1.657 9.017 8 HB1 ALA 2 HB1 ALA 2 14.755 0.164 10.074 9 HB2 ALA 2 HB2 ALA 2 15.486 -1.416 10.347 10 HB3 ALA 2 HB3 ALA 2 14.570 -0.632 11.634 11 H MET 3 HN MET 3 12.073 -1.861 12.212 12 HA MET 3 HA MET 3 13.143 -4.386 12.910 13 HB2 MET 3 HB2 MET 3 12.192 -2.854 14.577 14 HB3 MET 3 HB1 MET 3 10.598 -3.061 13.863 15 HG2 MET 3 HG2 MET 3 10.840 -4.404 15.866 16 HG3 MET 3 HG1 MET 3 10.632 -5.424 14.442 17 HE1 MET 3 HE1 MET 3 11.613 -6.725 17.077 18 HE2 MET 3 HE2 MET 3 12.971 -7.694 16.505 19 HE3 MET 3 HE3 MET 3 11.498 -7.585 15.542 20 H GLU 4 HN GLU 4 9.791 -3.596 11.996 21 HA GLU 4 HA GLU 4 9.424 -6.361 11.144 22 HB2 GLU 4 HB2 GLU 4 7.469 -4.097 11.516 23 HB3 GLU 4 HB1 GLU 4 7.022 -5.696 10.942 24 HG2 GLU 4 HG2 GLU 4 8.330 -5.150 13.589 25 HG3 GLU 4 HG1 GLU 4 6.592 -5.323 13.347 26 H ARG 5 HN ARG 5 9.911 -6.821 9.118 27 HA ARG 5 HA ARG 5 9.074 -4.973 6.995 28 HB2 ARG 5 HB2 ARG 5 11.757 -6.362 7.153 29 HB3 ARG 5 HB1 ARG 5 11.173 -5.443 5.774 30 HG2 ARG 5 HG2 ARG 5 11.161 -3.411 7.125 31 HG3 ARG 5 HG1 ARG 5 11.731 -4.336 8.519 32 HD2 ARG 5 HD2 ARG 5 13.183 -3.931 5.907 33 HD3 ARG 5 HD1 ARG 5 13.596 -3.207 7.462 34 HE ARG 5 HE ARG 5 13.728 -5.795 8.064 35 HH11 ARG 5 HH11 ARG 5 15.036 -4.024 5.345 36 HH12 ARG 5 HH12 ARG 5 16.344 -5.132 5.086 37 HH21 ARG 5 HH21 ARG 5 15.452 -7.255 7.737 38 HH22 ARG 5 HH22 ARG 5 16.578 -6.977 6.447 39 H GLU 6 HN GLU 6 8.165 -5.973 5.275 40 HA GLU 6 HA GLU 6 7.905 -8.840 5.232 41 HB2 GLU 6 HB2 GLU 6 7.072 -6.681 3.288 42 HB3 GLU 6 HB1 GLU 6 6.745 -8.390 3.037 43 HG2 GLU 6 HG2 GLU 6 5.787 -6.797 5.402 44 HG3 GLU 6 HG1 GLU 6 4.834 -7.122 3.955 45 H ASP 7 HN ASP 7 8.656 -10.177 3.457 46 HA ASP 7 HA ASP 7 11.168 -9.152 2.319 47 HB2 ASP 7 HB2 ASP 7 11.959 -11.454 2.263 48 HB3 ASP 7 HB1 ASP 7 11.433 -11.041 3.891 49 H GLU 8 HN GLU 8 8.340 -9.043 1.304 50 HA GLU 8 HA GLU 8 8.953 -9.892 -1.409 51 HB2 GLU 8 HB2 GLU 8 7.705 -11.767 -0.385 52 HB3 GLU 8 HB1 GLU 8 6.404 -10.664 0.025 53 HG2 GLU 8 HG2 GLU 8 5.978 -10.258 -2.327 54 HG3 GLU 8 HG1 GLU 8 7.314 -11.323 -2.764 55 H CYS 9 HN CYS 9 7.750 -8.716 -2.993 56 HA CYS 9 HA CYS 9 7.011 -6.082 -2.055 57 HB2 CYS 9 HB2 CYS 9 8.361 -6.289 -4.083 58 HB3 CYS 9 HB1 CYS 9 7.106 -7.274 -4.831 59 H PHE 10 HN PHE 10 5.007 -5.620 -1.470 60 HA PHE 10 HA PHE 10 2.836 -7.392 -1.844 61 HB2 PHE 10 HB2 PHE 10 2.961 -5.856 0.063 62 HB3 PHE 10 HB1 PHE 10 2.848 -4.474 -1.020 63 HD1 PHE 10 HD1 PHE 10 0.785 -3.543 -1.482 64 HD2 PHE 10 HD2 PHE 10 0.989 -7.522 0.023 65 HE1 PHE 10 HE1 PHE 10 -1.664 -3.589 -1.276 66 HE2 PHE 10 HE2 PHE 10 -1.461 -7.571 0.228 67 HZ PHE 10 HZ PHE 10 -2.787 -5.601 -0.418 68 H SER 11 HN SER 11 4.108 -4.812 -3.745 69 HA SER 11 HA SER 11 1.721 -4.286 -5.234 70 HB2 SER 11 HB2 SER 11 4.586 -3.572 -5.879 71 HB3 SER 11 HB1 SER 11 3.149 -2.872 -6.619 72 HG SER 11 HG SER 11 2.847 -1.667 -4.912 73 H CYS 12 HN CYS 12 4.363 -6.546 -5.541 74 HA CYS 12 HA CYS 12 3.428 -7.180 -8.267 75 HB2 CYS 12 HB2 CYS 12 6.226 -7.508 -7.176 76 HB3 CYS 12 HB1 CYS 12 5.700 -7.877 -8.819 77 H GLY 13 HN GLY 13 4.254 -8.461 -5.133 78 HA2 GLY 13 HA2 GLY 13 3.661 -10.550 -4.280 79 HA3 GLY 13 HA1 GLY 13 3.187 -11.051 -5.899 80 H ASP 14 HN ASP 14 6.198 -9.599 -5.912 81 HA ASP 14 HA ASP 14 7.588 -12.178 -5.700 82 HB2 ASP 14 HB2 ASP 14 7.868 -10.072 -7.848 83 HB3 ASP 14 HB1 ASP 14 9.076 -11.325 -7.582 84 H ALA 15 HN ALA 15 9.837 -12.016 -5.172 85 HA ALA 15 HA ALA 15 10.418 -9.631 -3.571 86 HB1 ALA 15 HB1 ALA 15 11.962 -10.995 -2.324 87 HB2 ALA 15 HB2 ALA 15 11.703 -12.351 -3.423 88 HB3 ALA 15 HB3 ALA 15 10.389 -11.789 -2.389 89 H GLY 16 HN GLY 16 12.653 -8.885 -3.521 90 HA2 GLY 16 HA2 GLY 16 14.648 -9.436 -5.319 91 HA3 GLY 16 HA1 GLY 16 13.534 -8.380 -6.183 92 H GLN 17 HN GLN 17 14.722 -6.518 -6.279 93 HA GLN 17 HA GLN 17 16.101 -5.417 -4.041 94 HB2 GLN 17 HB2 GLN 17 16.712 -4.834 -6.344 95 HB3 GLN 17 HB1 GLN 17 15.139 -4.085 -6.579 96 HG2 GLN 17 HG2 GLN 17 15.685 -2.462 -4.806 97 HG3 GLN 17 HG1 GLN 17 17.289 -3.181 -4.680 98 HE21 GLN 17 HE21 GLN 17 15.585 -2.795 -7.700 99 HE22 GLN 17 HE22 GLN 17 16.632 -1.588 -8.359 100 H LEU 18 HN LEU 18 14.679 -5.336 -2.318 101 HA LEU 18 HA LEU 18 12.217 -3.811 -2.684 102 HB2 LEU 18 HB2 LEU 18 13.082 -5.585 -0.403 103 HB3 LEU 18 HB1 LEU 18 11.535 -4.767 -0.525 104 HG LEU 18 HG LEU 18 12.475 -6.812 -2.523 105 HD11 LEU 18 HD11 LEU 18 10.955 -8.367 -1.400 106 HD12 LEU 18 HD12 LEU 18 10.691 -7.174 -0.131 107 HD13 LEU 18 HD13 LEU 18 12.290 -7.877 -0.360 108 HD21 LEU 18 HD21 LEU 18 9.777 -5.615 -1.954 109 HD22 LEU 18 HD22 LEU 18 10.114 -6.883 -3.129 110 HD23 LEU 18 HD23 LEU 18 10.796 -5.273 -3.351 111 H VAL 19 HN VAL 19 11.827 -1.958 -1.694 112 HA VAL 19 HA VAL 19 13.800 -0.942 0.238 113 HB VAL 19 HB VAL 19 13.832 0.474 -1.703 114 HG11 VAL 19 HG11 VAL 19 10.831 0.634 -1.456 115 HG12 VAL 19 HG12 VAL 19 11.752 -0.124 -2.756 116 HG13 VAL 19 HG13 VAL 19 11.810 1.625 -2.541 117 HG21 VAL 19 HG21 VAL 19 12.219 1.763 0.492 118 HG22 VAL 19 HG22 VAL 19 13.092 2.630 -0.770 119 HG23 VAL 19 HG23 VAL 19 13.976 1.651 0.399 120 H SER 20 HN SER 20 13.074 -0.513 2.239 121 HA SER 20 HA SER 20 10.279 -1.174 2.749 122 HB2 SER 20 HB2 SER 20 11.966 -2.434 3.990 123 HB3 SER 20 HB1 SER 20 12.618 -0.939 4.655 124 HG SER 20 HG SER 20 11.225 -1.240 6.196 125 H CYS 21 HN CYS 21 8.924 0.057 3.951 126 HA CYS 21 HA CYS 21 9.028 2.849 3.605 127 HB2 CYS 21 HB2 CYS 21 6.993 1.308 3.951 128 HB3 CYS 21 HB1 CYS 21 7.363 1.405 5.672 129 H LYS 22 HN LYS 22 9.876 4.450 4.883 130 HA LYS 22 HA LYS 22 11.569 3.569 7.072 131 HB2 LYS 22 HB2 LYS 22 12.272 5.196 5.238 132 HB3 LYS 22 HB1 LYS 22 11.243 6.381 6.024 133 HG2 LYS 22 HG2 LYS 22 13.504 6.745 6.711 134 HG3 LYS 22 HG1 LYS 22 12.589 6.127 8.087 135 HD2 LYS 22 HD2 LYS 22 14.723 5.028 8.029 136 HD3 LYS 22 HD1 LYS 22 13.480 3.860 7.584 137 HE2 LYS 22 HE2 LYS 22 14.025 4.174 5.222 138 HE3 LYS 22 HE1 LYS 22 15.256 5.358 5.659 139 HZ1 LYS 22 HZ1 LYS 22 16.263 3.227 5.244 140 HZ2 LYS 22 HZ2 LYS 22 15.256 2.476 6.375 141 HZ3 LYS 22 HZ3 LYS 22 16.412 3.597 6.889 142 H LYS 23 HN LYS 23 8.600 3.672 7.270 143 HA LYS 23 HA LYS 23 8.391 5.472 9.584 144 HB2 LYS 23 HB2 LYS 23 6.912 5.921 7.538 145 HB3 LYS 23 HB1 LYS 23 6.067 4.438 7.962 146 HG2 LYS 23 HG2 LYS 23 5.321 5.338 10.020 147 HG3 LYS 23 HG1 LYS 23 6.397 6.730 9.876 148 HD2 LYS 23 HD2 LYS 23 5.121 7.390 7.823 149 HD3 LYS 23 HD1 LYS 23 3.970 6.102 8.198 150 HE2 LYS 23 HE2 LYS 23 3.411 7.151 10.291 151 HE3 LYS 23 HE1 LYS 23 4.670 8.364 10.066 152 HZ1 LYS 23 HZ1 LYS 23 3.453 9.053 8.014 153 HZ2 LYS 23 HZ2 LYS 23 2.628 9.353 9.465 154 HZ3 LYS 23 HZ3 LYS 23 2.183 8.042 8.498 155 HA PRO 24 HA PRO 24 8.091 1.729 11.940 156 HB2 PRO 24 HB2 PRO 24 7.050 2.779 14.229 157 HB3 PRO 24 HB1 PRO 24 8.748 2.957 13.770 158 HG2 PRO 24 HG2 PRO 24 6.480 4.884 13.444 159 HG3 PRO 24 HG1 PRO 24 8.140 5.191 13.995 160 HD2 PRO 24 HD2 PRO 24 7.351 5.734 11.469 161 HD3 PRO 24 HD1 PRO 24 8.994 5.170 11.838 162 H GLY 25 HN GLY 25 6.539 0.224 12.605 163 HA2 GLY 25 HA2 GLY 25 4.380 -0.589 13.020 164 HA3 GLY 25 HA1 GLY 25 3.726 0.986 12.576 165 H CYS 26 HN CYS 26 5.405 0.929 10.096 166 HA CYS 26 HA CYS 26 3.511 -0.580 8.456 167 HB2 CYS 26 HB2 CYS 26 4.039 1.872 8.065 168 HB3 CYS 26 HB1 CYS 26 5.654 1.364 7.578 169 HA PRO 27 HA PRO 27 7.012 -3.409 8.080 170 HB2 PRO 27 HB2 PRO 27 5.620 -5.673 7.921 171 HB3 PRO 27 HB1 PRO 27 5.682 -4.767 9.439 172 HG2 PRO 27 HG2 PRO 27 3.497 -4.930 7.408 173 HG3 PRO 27 HG1 PRO 27 3.382 -4.850 9.181 174 HD2 PRO 27 HD2 PRO 27 3.099 -2.685 7.401 175 HD3 PRO 27 HD1 PRO 27 3.343 -2.579 9.159 176 H LYS 28 HN LYS 28 4.959 -2.280 5.753 177 HA LYS 28 HA LYS 28 5.223 -4.456 3.876 178 HB2 LYS 28 HB2 LYS 28 3.499 -2.184 4.158 179 HB3 LYS 28 HB1 LYS 28 4.224 -2.158 2.545 180 HG2 LYS 28 HG2 LYS 28 2.047 -3.368 2.664 181 HG3 LYS 28 HG1 LYS 28 3.384 -4.347 2.055 182 HD2 LYS 28 HD2 LYS 28 3.639 -5.375 4.268 183 HD3 LYS 28 HD1 LYS 28 2.318 -4.383 4.881 184 HE2 LYS 28 HE2 LYS 28 0.752 -5.469 3.433 185 HE3 LYS 28 HE1 LYS 28 2.045 -6.336 2.605 186 HZ1 LYS 28 HZ1 LYS 28 1.317 -6.674 5.465 187 HZ2 LYS 28 HZ2 LYS 28 2.516 -7.535 4.638 188 HZ3 LYS 28 HZ3 LYS 28 0.892 -7.733 4.218 189 H VAL 29 HN VAL 29 6.260 -4.431 1.906 190 HA VAL 29 HA VAL 29 8.368 -2.415 1.576 191 HB VAL 29 HB VAL 29 9.106 -4.547 2.836 192 HG11 VAL 29 HG11 VAL 29 9.043 -5.655 0.047 193 HG12 VAL 29 HG12 VAL 29 8.017 -6.165 1.383 194 HG13 VAL 29 HG13 VAL 29 9.759 -6.429 1.459 195 HG21 VAL 29 HG21 VAL 29 10.749 -3.038 2.154 196 HG22 VAL 29 HG22 VAL 29 10.523 -3.432 0.452 197 HG23 VAL 29 HG23 VAL 29 11.269 -4.606 1.539 198 H TYR 30 HN TYR 30 9.208 -2.322 -0.610 199 HA TYR 30 HA TYR 30 7.630 -3.683 -2.674 200 HB2 TYR 30 HB2 TYR 30 7.884 -0.671 -2.677 201 HB3 TYR 30 HB1 TYR 30 6.889 -1.668 -3.731 202 HD1 TYR 30 HD1 TYR 30 4.786 -2.638 -2.892 203 HD2 TYR 30 HD2 TYR 30 7.108 0.009 -0.503 204 HE1 TYR 30 HE1 TYR 30 2.867 -2.315 -1.397 205 HE2 TYR 30 HE2 TYR 30 5.191 0.337 1.001 206 HH TYR 30 HH TYR 30 2.789 0.130 0.997 207 H HIS 31 HN HIS 31 8.529 -3.152 -4.877 208 HA HIS 31 HA HIS 31 11.413 -2.841 -4.821 209 HB2 HIS 31 HB2 HIS 31 9.600 -2.993 -7.249 210 HB3 HIS 31 HB1 HIS 31 11.352 -3.178 -7.233 211 HD2 HIS 31 HD2 HIS 31 12.038 -5.530 -5.470 212 HE1 HIS 31 HE1 HIS 31 8.637 -7.535 -7.008 213 HE2 HIS 31 HE2 HIS 31 10.959 -7.833 -6.013 214 H ALA 32 HN ALA 32 12.515 -1.079 -5.666 215 HA ALA 32 HA ALA 32 11.250 1.428 -5.507 216 HB1 ALA 32 HB1 ALA 32 13.357 2.342 -6.324 217 HB2 ALA 32 HB2 ALA 32 13.892 0.721 -6.772 218 HB3 ALA 32 HB3 ALA 32 13.628 1.127 -5.075 219 H ASP 33 HN ASP 33 11.841 -0.773 -8.154 220 HA ASP 33 HA ASP 33 11.459 1.084 -10.254 221 HB2 ASP 33 HB2 ASP 33 12.590 -1.062 -10.620 222 HB3 ASP 33 HB1 ASP 33 11.075 -1.912 -10.328 223 H CYS 34 HN CYS 34 9.189 -1.202 -8.711 224 HA CYS 34 HA CYS 34 7.076 -0.591 -10.518 225 HB2 CYS 34 HB2 CYS 34 5.677 -1.728 -8.628 226 HB3 CYS 34 HB1 CYS 34 6.847 -2.699 -9.516 227 H LEU 35 HN LEU 35 8.300 0.938 -7.719 228 HA LEU 35 HA LEU 35 5.912 2.529 -7.270 229 HB2 LEU 35 HB2 LEU 35 8.666 2.656 -6.056 230 HB3 LEU 35 HB1 LEU 35 7.314 3.650 -5.558 231 HG LEU 35 HG LEU 35 7.322 0.642 -5.382 232 HD11 LEU 35 HD11 LEU 35 9.025 1.331 -3.926 233 HD12 LEU 35 HD12 LEU 35 7.591 1.172 -2.907 234 HD13 LEU 35 HD13 LEU 35 8.130 2.765 -3.430 235 HD21 LEU 35 HD21 LEU 35 5.446 1.014 -3.849 236 HD22 LEU 35 HD22 LEU 35 5.099 1.638 -5.462 237 HD23 LEU 35 HD23 LEU 35 5.540 2.747 -4.163 238 H ASN 36 HN ASN 36 8.194 2.544 -9.563 239 HA ASN 36 HA ASN 36 8.997 4.028 -11.071 240 HB2 ASN 36 HB2 ASN 36 6.596 4.742 -11.137 241 HB3 ASN 36 HB1 ASN 36 6.972 5.961 -9.928 242 HD21 ASN 36 HD21 ASN 36 6.343 7.611 -11.324 243 HD22 ASN 36 HD22 ASN 36 7.324 8.105 -12.660 244 H LEU 37 HN LEU 37 10.164 3.818 -8.433 245 HA LEU 37 HA LEU 37 11.104 6.486 -7.813 246 HB2 LEU 37 HB2 LEU 37 11.747 3.791 -6.636 247 HB3 LEU 37 HB1 LEU 37 12.512 5.277 -6.110 248 HG LEU 37 HG LEU 37 9.579 4.591 -5.876 249 HD11 LEU 37 HD11 LEU 37 11.706 4.976 -3.774 250 HD12 LEU 37 HD12 LEU 37 11.039 3.426 -4.284 251 HD13 LEU 37 HD13 LEU 37 10.006 4.611 -3.484 252 HD21 LEU 37 HD21 LEU 37 11.066 7.084 -5.056 253 HD22 LEU 37 HD22 LEU 37 9.399 6.700 -4.627 254 HD23 LEU 37 HD23 LEU 37 9.836 6.962 -6.315 255 H THR 38 HN THR 38 11.912 6.535 -10.145 256 HA THR 38 HA THR 38 14.394 5.300 -10.741 257 HB THR 38 HB THR 38 13.578 8.010 -11.773 258 HG1 THR 38 HG1 THR 38 12.085 7.069 -13.086 259 HG21 THR 38 HG21 THR 38 14.601 7.184 -13.841 260 HG22 THR 38 HG22 THR 38 14.938 5.638 -13.060 261 HG23 THR 38 HG23 THR 38 15.736 7.106 -12.495 262 H LYS 39 HN LYS 39 13.389 8.008 -8.863 263 HA LYS 39 HA LYS 39 16.132 8.891 -8.378 264 HB2 LYS 39 HB2 LYS 39 13.509 10.004 -7.347 265 HB3 LYS 39 HB1 LYS 39 15.092 10.722 -7.103 266 HG2 LYS 39 HG2 LYS 39 13.792 10.333 -9.792 267 HG3 LYS 39 HG1 LYS 39 13.769 11.834 -8.870 268 HD2 LYS 39 HD2 LYS 39 16.265 10.428 -9.813 269 HD3 LYS 39 HD1 LYS 39 15.504 11.790 -10.637 270 HE2 LYS 39 HE2 LYS 39 16.624 11.808 -7.835 271 HE3 LYS 39 HE1 LYS 39 17.374 12.526 -9.255 272 HZ1 LYS 39 HZ1 LYS 39 16.267 14.219 -8.014 273 HZ2 LYS 39 HZ2 LYS 39 14.822 13.349 -7.991 274 HZ3 LYS 39 HZ3 LYS 39 15.405 13.978 -9.448 275 H ARG 40 HN ARG 40 16.966 8.937 -6.207 276 HA ARG 40 HA ARG 40 15.861 6.756 -4.604 277 HB2 ARG 40 HB2 ARG 40 18.177 6.461 -5.169 278 HB3 ARG 40 HB1 ARG 40 18.575 8.078 -4.603 279 HG2 ARG 40 HG2 ARG 40 18.238 7.467 -2.340 280 HG3 ARG 40 HG1 ARG 40 17.503 5.930 -2.799 281 HD2 ARG 40 HD2 ARG 40 20.348 6.670 -3.444 282 HD3 ARG 40 HD1 ARG 40 19.880 5.785 -1.992 283 HE ARG 40 HE ARG 40 18.779 4.401 -4.107 284 HH11 ARG 40 HH11 ARG 40 22.000 5.352 -3.123 285 HH12 ARG 40 HH12 ARG 40 22.756 3.936 -3.780 286 HH21 ARG 40 HH21 ARG 40 19.778 2.542 -4.991 287 HH22 ARG 40 HH22 ARG 40 21.496 2.345 -4.851 288 HA PRO 41 HA PRO 41 14.369 9.991 -1.841 289 HB2 PRO 41 HB2 PRO 41 13.016 8.329 -0.182 290 HB3 PRO 41 HB1 PRO 41 12.370 8.850 -1.741 291 HG2 PRO 41 HG2 PRO 41 13.720 6.284 -1.005 292 HG3 PRO 41 HG1 PRO 41 12.283 6.544 -2.016 293 HD2 PRO 41 HD2 PRO 41 14.752 6.097 -3.062 294 HD3 PRO 41 HD1 PRO 41 13.542 7.110 -3.877 295 H ALA 42 HN ALA 42 15.306 10.783 -0.025 296 HA ALA 42 HA ALA 42 17.138 8.985 1.411 297 HB1 ALA 42 HB1 ALA 42 17.410 11.953 0.974 298 HB2 ALA 42 HB2 ALA 42 18.296 10.699 0.109 299 HB3 ALA 42 HB3 ALA 42 18.548 10.923 1.839 300 H GLY 43 HN GLY 43 17.081 8.952 3.630 301 HA2 GLY 43 HA2 GLY 43 16.564 9.695 5.781 302 HA3 GLY 43 HA1 GLY 43 15.673 11.035 5.076 303 H LYS 44 HN LYS 44 13.635 10.964 5.690 304 HA LYS 44 HA LYS 44 12.410 8.398 6.299 305 HB2 LYS 44 HB2 LYS 44 11.345 11.206 6.642 306 HB3 LYS 44 HB1 LYS 44 10.560 9.740 7.209 307 HG2 LYS 44 HG2 LYS 44 12.373 9.304 8.735 308 HG3 LYS 44 HG1 LYS 44 13.269 10.690 8.114 309 HD2 LYS 44 HD2 LYS 44 10.582 10.835 9.480 310 HD3 LYS 44 HD1 LYS 44 12.131 11.156 10.260 311 HE2 LYS 44 HE2 LYS 44 10.946 12.682 7.943 312 HE3 LYS 44 HE1 LYS 44 11.038 13.233 9.613 313 HZ1 LYS 44 HZ1 LYS 44 13.466 13.138 9.444 314 HZ2 LYS 44 HZ2 LYS 44 12.799 14.204 8.313 315 HZ3 LYS 44 HZ3 LYS 44 13.342 12.683 7.819 316 H TRP 45 HN TRP 45 11.657 7.351 4.605 317 HA TRP 45 HA TRP 45 10.072 8.826 2.637 318 HB2 TRP 45 HB2 TRP 45 11.906 7.670 1.575 319 HB3 TRP 45 HB1 TRP 45 11.505 6.176 2.415 320 HD1 TRP 45 HD1 TRP 45 10.002 8.511 -0.280 321 HE1 TRP 45 HE1 TRP 45 8.524 7.095 -1.835 322 HE3 TRP 45 HE3 TRP 45 10.362 4.023 2.136 323 HZ2 TRP 45 HZ2 TRP 45 7.629 4.426 -2.015 324 HZ3 TRP 45 HZ3 TRP 45 9.164 2.082 1.203 325 HH2 TRP 45 HH2 TRP 45 7.827 2.283 -0.826 326 H GLU 46 HN GLU 46 7.958 8.572 2.692 327 HA GLU 46 HA GLU 46 6.851 6.301 4.182 328 HB2 GLU 46 HB2 GLU 46 5.642 8.957 3.391 329 HB3 GLU 46 HB1 GLU 46 4.738 7.663 4.165 330 HG2 GLU 46 HG2 GLU 46 6.196 7.780 6.105 331 HG3 GLU 46 HG1 GLU 46 7.143 9.048 5.330 332 H CYS 47 HN CYS 47 5.731 4.757 3.164 333 HA CYS 47 HA CYS 47 5.790 4.555 0.353 334 HB2 CYS 47 HB2 CYS 47 4.646 2.465 0.623 335 HB3 CYS 47 HB1 CYS 47 5.769 2.617 1.966 336 HA PRO 48 HA PRO 48 2.127 6.679 -0.924 337 HB2 PRO 48 HB2 PRO 48 1.411 5.168 -3.087 338 HB3 PRO 48 HB1 PRO 48 2.755 6.321 -3.104 339 HG2 PRO 48 HG2 PRO 48 2.807 3.349 -2.726 340 HG3 PRO 48 HG1 PRO 48 3.867 4.368 -3.718 341 HD2 PRO 48 HD2 PRO 48 4.634 3.459 -1.306 342 HD3 PRO 48 HD1 PRO 48 5.116 5.068 -1.885 343 H TRP 49 HN TRP 49 2.098 3.562 0.299 344 HA TRP 49 HA TRP 49 -0.676 2.928 -0.018 345 HB2 TRP 49 HB2 TRP 49 1.367 1.370 0.506 346 HB3 TRP 49 HB1 TRP 49 1.078 1.849 2.179 347 HD1 TRP 49 HD1 TRP 49 -1.647 0.939 -0.432 348 HE1 TRP 49 HE1 TRP 49 -2.946 -1.106 0.456 349 HE3 TRP 49 HE3 TRP 49 1.079 0.015 3.803 350 HZ2 TRP 49 HZ2 TRP 49 -2.837 -2.857 2.660 351 HZ3 TRP 49 HZ3 TRP 49 0.411 -1.856 5.249 352 HH2 TRP 49 HH2 TRP 49 -1.509 -3.268 4.686 353 H HIS 50 HN HIS 50 1.007 5.168 1.852 354 HA HIS 50 HA HIS 50 -1.091 5.304 3.890 355 HB2 HIS 50 HB2 HIS 50 1.384 7.023 3.576 356 HB3 HIS 50 HB1 HIS 50 0.270 7.036 4.944 357 HD1 HIS 50 HD1 HIS 50 0.156 3.843 5.243 358 HD2 HIS 50 HD2 HIS 50 3.549 6.216 4.949 359 HE1 HIS 50 HE1 HIS 50 2.038 2.533 6.322 360 H GLN 51 HN GLN 51 -0.791 6.288 0.810 361 HA GLN 51 HA GLN 51 -2.018 8.910 1.332 362 HB2 GLN 51 HB2 GLN 51 -0.247 8.138 -0.991 363 HB3 GLN 51 HB1 GLN 51 -1.063 9.686 -0.809 364 HG2 GLN 51 HG2 GLN 51 0.932 8.594 1.152 365 HG3 GLN 51 HG1 GLN 51 1.334 9.702 -0.156 366 HE21 GLN 51 HE21 GLN 51 -0.383 9.353 2.888 367 HE22 GLN 51 HE22 GLN 51 -0.525 11.044 3.208 368 H CYS 52 HN CYS 52 -3.840 9.416 0.371 369 HA CYS 52 HA CYS 52 -5.483 7.383 -0.710 370 HB2 CYS 52 HB2 CYS 52 -6.361 9.293 0.548 371 HB3 CYS 52 HB1 CYS 52 -5.798 10.390 -0.700 372 H ASP 53 HN ASP 53 -5.442 6.603 -2.701 373 HA ASP 53 HA ASP 53 -3.775 7.588 -4.728 374 HB2 ASP 53 HB2 ASP 53 -4.480 5.245 -4.642 375 HB3 ASP 53 HB1 ASP 53 -6.147 5.716 -4.965 376 H VAL 54 HN VAL 54 -6.923 8.553 -3.809 377 HA VAL 54 HA VAL 54 -7.629 9.603 -6.404 378 HB VAL 54 HB VAL 54 -9.011 9.956 -3.743 379 HG11 VAL 54 HG11 VAL 54 -9.543 11.765 -5.276 380 HG12 VAL 54 HG12 VAL 54 -10.929 10.692 -5.077 381 HG13 VAL 54 HG13 VAL 54 -9.943 10.596 -6.537 382 HG21 VAL 54 HG21 VAL 54 -9.582 8.101 -6.049 383 HG22 VAL 54 HG22 VAL 54 -10.620 8.325 -4.641 384 HG23 VAL 54 HG23 VAL 54 -9.007 7.637 -4.448 385 H CYS 55 HN CYS 55 -6.959 11.064 -3.185 386 HA CYS 55 HA CYS 55 -6.701 13.623 -4.607 387 HB2 CYS 55 HB2 CYS 55 -7.277 14.736 -2.512 388 HB3 CYS 55 HB1 CYS 55 -8.519 13.598 -3.009 389 H GLY 56 HN GLY 56 -4.811 11.324 -3.024 390 HA2 GLY 56 HA2 GLY 56 -2.520 11.361 -2.712 391 HA3 GLY 56 HA1 GLY 56 -2.520 13.055 -3.185 392 H LYS 57 HN LYS 57 -4.788 12.595 -0.781 393 HA LYS 57 HA LYS 57 -2.995 13.756 1.185 394 HB2 LYS 57 HB2 LYS 57 -5.987 13.364 1.210 395 HB3 LYS 57 HB1 LYS 57 -5.075 14.122 2.507 396 HG2 LYS 57 HG2 LYS 57 -4.337 15.873 0.979 397 HG3 LYS 57 HG1 LYS 57 -5.239 15.111 -0.333 398 HD2 LYS 57 HD2 LYS 57 -7.322 15.501 0.812 399 HD3 LYS 57 HD1 LYS 57 -6.470 16.116 2.229 400 HE2 LYS 57 HE2 LYS 57 -6.488 17.359 -0.521 401 HE3 LYS 57 HE1 LYS 57 -7.364 17.947 0.892 402 HZ1 LYS 57 HZ1 LYS 57 -5.192 18.243 1.998 403 HZ2 LYS 57 HZ2 LYS 57 -5.377 19.215 0.632 404 HZ3 LYS 57 HZ3 LYS 57 -4.417 17.826 0.553 405 H GLU 58 HN GLU 58 -3.901 13.018 3.556 406 HA GLU 58 HA GLU 58 -2.624 10.576 4.017 407 HB2 GLU 58 HB2 GLU 58 -2.968 12.451 5.658 408 HB3 GLU 58 HB1 GLU 58 -4.634 11.920 5.825 409 HG2 GLU 58 HG2 GLU 58 -3.363 11.051 7.648 410 HG3 GLU 58 HG1 GLU 58 -3.809 9.718 6.585 411 H ALA 59 HN ALA 59 -3.290 8.541 3.844 412 HA ALA 59 HA ALA 59 -6.046 7.983 3.161 413 HB1 ALA 59 HB1 ALA 59 -4.365 6.858 1.887 414 HB2 ALA 59 HB2 ALA 59 -5.228 5.665 2.857 415 HB3 ALA 59 HB3 ALA 59 -3.623 6.211 3.350 416 H ALA 60 HN ALA 60 -7.451 6.702 4.326 417 HA ALA 60 HA ALA 60 -6.758 6.386 7.166 418 HB1 ALA 60 HB1 ALA 60 -8.601 7.916 6.754 419 HB2 ALA 60 HB2 ALA 60 -9.163 6.474 7.599 420 HB3 ALA 60 HB3 ALA 60 -9.463 6.657 5.871 421 H SER 61 HN SER 61 -8.116 4.797 4.354 422 HA SER 61 HA SER 61 -7.874 2.243 5.778 423 HB2 SER 61 HB2 SER 61 -9.813 1.448 4.408 424 HB3 SER 61 HB1 SER 61 -10.233 2.734 5.536 425 HG SER 61 HG SER 61 -9.553 3.224 2.832 426 H PHE 62 HN PHE 62 -6.974 0.559 4.609 427 HA PHE 62 HA PHE 62 -5.606 1.437 2.145 428 HB2 PHE 62 HB2 PHE 62 -4.543 -0.647 4.049 429 HB3 PHE 62 HB1 PHE 62 -3.649 0.340 2.887 430 HD1 PHE 62 HD1 PHE 62 -4.498 -0.059 6.279 431 HD2 PHE 62 HD2 PHE 62 -3.712 2.923 3.352 432 HE1 PHE 62 HE1 PHE 62 -3.930 1.534 8.059 433 HE2 PHE 62 HE2 PHE 62 -3.150 4.523 5.133 434 HZ PHE 62 HZ PHE 62 -3.374 3.847 7.507 435 H CYS 63 HN CYS 63 -5.906 0.183 0.340 436 HA CYS 63 HA CYS 63 -7.557 -2.128 0.422 437 HB2 CYS 63 HB2 CYS 63 -7.312 -0.693 -1.624 438 HB3 CYS 63 HB1 CYS 63 -5.684 -1.340 -1.827 439 H GLU 64 HN GLU 64 -7.055 -4.149 0.897 440 HA GLU 64 HA GLU 64 -4.282 -4.777 1.491 441 HB2 GLU 64 HB2 GLU 64 -6.828 -6.345 1.944 442 HB3 GLU 64 HB1 GLU 64 -5.230 -6.867 2.456 443 HG2 GLU 64 HG2 GLU 64 -5.061 -4.821 3.852 444 HG3 GLU 64 HG1 GLU 64 -6.722 -4.431 3.410 445 H MET 65 HN MET 65 -5.548 -4.593 -1.301 446 HA MET 65 HA MET 65 -4.334 -7.107 -2.242 447 HB2 MET 65 HB2 MET 65 -6.645 -5.584 -3.443 448 HB3 MET 65 HB1 MET 65 -5.763 -6.850 -4.295 449 HG2 MET 65 HG2 MET 65 -6.400 -8.448 -2.540 450 HG3 MET 65 HG1 MET 65 -7.332 -7.177 -1.745 451 HE1 MET 65 HE1 MET 65 -8.361 -10.078 -2.722 452 HE2 MET 65 HE2 MET 65 -9.949 -9.687 -3.381 453 HE3 MET 65 HE3 MET 65 -9.421 -8.959 -1.865 454 H CYS 66 HN CYS 66 -4.241 -3.675 -2.351 455 HA CYS 66 HA CYS 66 -2.065 -3.726 -4.215 456 HB2 CYS 66 HB2 CYS 66 -3.049 -2.477 -5.988 457 HB3 CYS 66 HB1 CYS 66 -4.194 -3.767 -5.639 458 HA PRO 67 HA PRO 67 -1.015 -0.060 -1.984 459 HB2 PRO 67 HB2 PRO 67 0.050 1.241 -4.391 460 HB3 PRO 67 HB1 PRO 67 0.913 0.645 -2.969 461 HG2 PRO 67 HG2 PRO 67 1.120 -0.579 -5.343 462 HG3 PRO 67 HG1 PRO 67 1.108 -1.492 -3.821 463 HD2 PRO 67 HD2 PRO 67 -1.163 -1.021 -5.749 464 HD3 PRO 67 HD1 PRO 67 -0.647 -2.541 -4.973 465 H SER 68 HN SER 68 -3.609 0.024 -3.855 466 HA SER 68 HA SER 68 -3.905 2.904 -4.069 467 HB2 SER 68 HB2 SER 68 -5.941 0.720 -4.604 468 HB3 SER 68 HB1 SER 68 -6.096 2.423 -5.037 469 HG SER 68 HG SER 68 -4.747 2.158 -6.668 470 H SER 69 HN SER 69 -3.810 3.582 -1.957 471 HA SER 69 HA SER 69 -5.834 2.626 -0.086 472 HB2 SER 69 HB2 SER 69 -4.489 4.473 1.315 473 HB3 SER 69 HB1 SER 69 -3.877 2.827 1.115 474 HG SER 69 HG SER 69 -3.125 5.181 -0.279 475 H PHE 70 HN PHE 70 -7.090 4.319 1.153 476 HA PHE 70 HA PHE 70 -7.655 6.681 -0.500 477 HB2 PHE 70 HB2 PHE 70 -9.782 4.795 0.548 478 HB3 PHE 70 HB1 PHE 70 -10.066 6.293 -0.343 479 HD1 PHE 70 HD1 PHE 70 -9.165 6.436 -2.721 480 HD2 PHE 70 HD2 PHE 70 -9.533 2.782 -0.575 481 HE1 PHE 70 HE1 PHE 70 -9.110 5.189 -4.842 482 HE2 PHE 70 HE2 PHE 70 -9.478 1.529 -2.689 483 HZ PHE 70 HZ PHE 70 -9.264 2.732 -4.829 484 H CYS 71 HN CYS 71 -8.607 8.418 0.604 485 HA CYS 71 HA CYS 71 -7.981 8.545 3.413 486 HB2 CYS 71 HB2 CYS 71 -8.578 10.892 3.254 487 HB3 CYS 71 HB1 CYS 71 -7.589 10.459 1.861 488 H LYS 72 HN LYS 72 -9.718 9.770 4.816 489 HA LYS 72 HA LYS 72 -11.804 8.047 5.373 490 HB2 LYS 72 HB2 LYS 72 -11.540 10.997 5.920 491 HB3 LYS 72 HB1 LYS 72 -12.827 10.002 6.584 492 HG2 LYS 72 HG2 LYS 72 -11.179 8.620 7.727 493 HG3 LYS 72 HG1 LYS 72 -9.883 9.602 7.047 494 HD2 LYS 72 HD2 LYS 72 -10.610 11.524 8.261 495 HD3 LYS 72 HD1 LYS 72 -12.079 10.701 8.786 496 HE2 LYS 72 HE2 LYS 72 -9.276 9.882 9.505 497 HE3 LYS 72 HE1 LYS 72 -10.352 10.812 10.546 498 HZ1 LYS 72 HZ1 LYS 72 -10.450 8.528 11.183 499 HZ2 LYS 72 HZ2 LYS 72 -10.750 8.027 9.599 500 HZ3 LYS 72 HZ3 LYS 72 -11.921 8.914 10.438 501 H GLN 73 HN GLN 73 -11.713 10.705 3.119 502 HA GLN 73 HA GLN 73 -14.564 10.783 2.738 503 HB2 GLN 73 HB2 GLN 73 -12.337 12.111 1.199 504 HB3 GLN 73 HB1 GLN 73 -14.049 12.474 1.030 505 HG2 GLN 73 HG2 GLN 73 -14.133 13.273 3.315 506 HG3 GLN 73 HG1 GLN 73 -12.447 12.820 3.559 507 HE21 GLN 73 HE21 GLN 73 -13.644 14.262 0.603 508 HE22 GLN 73 HE22 GLN 73 -12.847 15.784 0.802 509 H HIS 74 HN HIS 74 -11.762 9.716 0.834 510 HA HIS 74 HA HIS 74 -13.548 8.941 -1.336 511 HB2 HIS 74 HB2 HIS 74 -10.526 9.008 -1.181 512 HB3 HIS 74 HB1 HIS 74 -11.444 8.514 -2.608 513 HD2 HIS 74 HD2 HIS 74 -13.646 10.906 -2.591 514 HE1 HIS 74 HE1 HIS 74 -10.265 13.432 -2.723 515 HE2 HIS 74 HE2 HIS 74 -12.789 13.335 -2.898 516 H ARG 75 HN ARG 75 -12.891 7.426 1.365 517 HA ARG 75 HA ARG 75 -12.219 4.848 0.207 518 HB2 ARG 75 HB2 ARG 75 -12.218 3.985 2.455 519 HB3 ARG 75 HB1 ARG 75 -11.287 5.472 2.403 520 HG2 ARG 75 HG2 ARG 75 -13.220 6.677 3.338 521 HG3 ARG 75 HG1 ARG 75 -14.089 5.145 3.449 522 HD2 ARG 75 HD2 ARG 75 -12.332 4.269 4.918 523 HD3 ARG 75 HD1 ARG 75 -11.486 5.807 4.825 524 HE ARG 75 HE ARG 75 -13.801 6.638 5.771 525 HH11 ARG 75 HH11 ARG 75 -11.996 3.769 6.660 526 HH12 ARG 75 HH12 ARG 75 -12.557 3.770 8.299 527 HH21 ARG 75 HH21 ARG 75 -14.532 6.642 7.930 528 HH22 ARG 75 HH22 ARG 75 -14.007 5.397 9.020 529 H GLU 76 HN GLU 76 -15.001 6.649 1.075 530 HA GLU 76 HA GLU 76 -16.768 4.485 1.519 531 HB2 GLU 76 HB2 GLU 76 -17.309 7.318 0.635 532 HB3 GLU 76 HB1 GLU 76 -18.550 6.171 1.124 533 HG2 GLU 76 HG2 GLU 76 -17.530 6.034 3.346 534 HG3 GLU 76 HG1 GLU 76 -16.308 7.202 2.847 535 H GLY 77 HN GLY 77 -17.586 3.101 0.098 536 HA2 GLY 77 HA2 GLY 77 -18.495 2.312 -1.872 537 HA3 GLY 77 HA1 GLY 77 -18.280 3.910 -2.571 538 H MET 78 HN MET 78 -15.381 3.877 -1.847 539 HA MET 78 HA MET 78 -14.536 2.548 -4.291 540 HB2 MET 78 HB2 MET 78 -12.977 4.311 -2.375 541 HB3 MET 78 HB1 MET 78 -12.377 3.702 -3.911 542 HG2 MET 78 HG2 MET 78 -14.718 5.575 -3.557 543 HG3 MET 78 HG1 MET 78 -13.097 6.031 -4.080 544 HE1 MET 78 HE1 MET 78 -15.208 6.469 -7.338 545 HE2 MET 78 HE2 MET 78 -14.127 7.246 -6.181 546 HE3 MET 78 HE3 MET 78 -15.756 6.779 -5.691 547 H LEU 79 HN LEU 79 -14.117 2.231 -0.830 548 HA LEU 79 HA LEU 79 -12.632 -0.264 -1.319 549 HB2 LEU 79 HB2 LEU 79 -11.341 1.683 -0.253 550 HB3 LEU 79 HB1 LEU 79 -12.373 1.450 1.148 551 HG LEU 79 HG LEU 79 -11.510 -0.872 1.354 552 HD11 LEU 79 HD11 LEU 79 -10.854 -1.273 -0.941 553 HD12 LEU 79 HD12 LEU 79 -9.466 -1.458 0.126 554 HD13 LEU 79 HD13 LEU 79 -9.644 0.004 -0.842 555 HD21 LEU 79 HD21 LEU 79 -9.281 -0.218 2.171 556 HD22 LEU 79 HD22 LEU 79 -10.543 0.903 2.678 557 HD23 LEU 79 HD23 LEU 79 -9.459 1.336 1.357 558 H PHE 80 HN PHE 80 -13.330 -2.055 -0.180 559 HA PHE 80 HA PHE 80 -15.388 -1.740 1.852 560 HB2 PHE 80 HB2 PHE 80 -16.877 -3.384 0.657 561 HB3 PHE 80 HB1 PHE 80 -16.755 -1.814 -0.122 562 HD1 PHE 80 HD1 PHE 80 -15.880 -1.597 -2.322 563 HD2 PHE 80 HD2 PHE 80 -15.675 -5.341 -0.298 564 HE1 PHE 80 HE1 PHE 80 -15.229 -2.695 -4.419 565 HE2 PHE 80 HE2 PHE 80 -15.027 -6.436 -2.398 566 HZ PHE 80 HZ PHE 80 -14.837 -5.115 -4.469 567 H ILE 81 HN ILE 81 -15.962 -3.869 2.819 568 HA ILE 81 HA ILE 81 -13.548 -5.430 3.205 569 HB ILE 81 HB ILE 81 -16.225 -5.441 4.590 570 HG12 ILE 81 HG12 ILE 81 -14.649 -3.579 5.089 571 HG13 ILE 81 HG11 ILE 81 -14.999 -4.584 6.488 572 HG21 ILE 81 HG21 ILE 81 -13.852 -7.211 5.114 573 HG22 ILE 81 HG22 ILE 81 -15.447 -7.717 4.555 574 HG23 ILE 81 HG23 ILE 81 -15.251 -7.051 6.176 575 HD11 ILE 81 HD11 ILE 81 -12.509 -4.640 4.807 576 HD12 ILE 81 HD12 ILE 81 -12.863 -5.762 6.121 577 HD13 ILE 81 HD13 ILE 81 -12.671 -4.041 6.458 578 H SER 82 HN SER 82 -13.170 -7.333 2.340 579 HA SER 82 HA SER 82 -14.804 -8.524 0.399 580 HB2 SER 82 HB2 SER 82 -12.455 -8.936 0.337 581 HB3 SER 82 HB1 SER 82 -12.453 -9.538 1.991 582 HG SER 82 HG SER 82 -13.321 -10.779 -0.370 583 H LYS 83 HN LYS 83 -16.417 -9.935 0.525 584 HA LYS 83 HA LYS 83 -17.496 -10.736 3.050 585 HB2 LYS 83 HB2 LYS 83 -18.191 -11.663 0.256 586 HB3 LYS 83 HB1 LYS 83 -19.144 -11.961 1.702 587 HG2 LYS 83 HG2 LYS 83 -19.577 -9.596 1.949 588 HG3 LYS 83 HG1 LYS 83 -18.539 -9.240 0.569 589 HD2 LYS 83 HD2 LYS 83 -20.045 -10.572 -0.864 590 HD3 LYS 83 HD1 LYS 83 -21.106 -10.821 0.522 591 HE2 LYS 83 HE2 LYS 83 -20.383 -8.154 -0.688 592 HE3 LYS 83 HE1 LYS 83 -21.901 -9.014 -0.929 593 HZ1 LYS 83 HZ1 LYS 83 -22.346 -8.821 1.437 594 HZ2 LYS 83 HZ2 LYS 83 -22.115 -7.298 0.750 595 HZ3 LYS 83 HZ3 LYS 83 -20.886 -7.997 1.672 596 H LEU 84 HN LEU 84 -15.255 -12.025 0.793 597 HA LEU 84 HA LEU 84 -15.524 -14.760 1.685 598 HB2 LEU 84 HB2 LEU 84 -13.553 -13.455 -0.183 599 HB3 LEU 84 HB1 LEU 84 -13.676 -15.180 0.102 600 HG LEU 84 HG LEU 84 -15.879 -13.487 -1.085 601 HD11 LEU 84 HD11 LEU 84 -13.907 -15.326 -2.427 602 HD12 LEU 84 HD12 LEU 84 -13.972 -13.571 -2.585 603 HD13 LEU 84 HD13 LEU 84 -15.292 -14.562 -3.206 604 HD21 LEU 84 HD21 LEU 84 -16.711 -15.467 0.053 605 HD22 LEU 84 HD22 LEU 84 -15.557 -16.476 -0.819 606 HD23 LEU 84 HD23 LEU 84 -16.854 -15.661 -1.693 607 H ASP 85 HN ASP 85 -12.919 -12.306 1.730 608 HA ASP 85 HA ASP 85 -11.487 -14.016 3.642 609 HB2 ASP 85 HB2 ASP 85 -10.444 -11.638 2.100 610 HB3 ASP 85 HB1 ASP 85 -9.493 -12.722 3.103 611 H GLY 86 HN GLY 86 -13.191 -11.048 3.468 612 HA2 GLY 86 HA2 GLY 86 -13.675 -9.541 5.159 613 HA3 GLY 86 HA1 GLY 86 -12.565 -10.405 6.211 614 H ARG 87 HN ARG 87 -11.009 -9.815 3.363 615 HA ARG 87 HA ARG 87 -9.403 -7.732 4.546 616 HB2 ARG 87 HB2 ARG 87 -9.198 -9.167 1.893 617 HB3 ARG 87 HB1 ARG 87 -8.013 -8.018 2.500 618 HG2 ARG 87 HG2 ARG 87 -7.567 -9.473 4.401 619 HG3 ARG 87 HG1 ARG 87 -8.763 -10.623 3.810 620 HD2 ARG 87 HD2 ARG 87 -7.436 -10.951 1.782 621 HD3 ARG 87 HD1 ARG 87 -6.248 -9.788 2.376 622 HE ARG 87 HE ARG 87 -6.558 -11.745 4.333 623 HH11 ARG 87 HH11 ARG 87 -5.362 -11.508 1.051 624 HH12 ARG 87 HH12 ARG 87 -4.243 -12.819 1.234 625 HH21 ARG 87 HH21 ARG 87 -5.095 -13.461 4.578 626 HH22 ARG 87 HH22 ARG 87 -4.088 -13.935 3.247 627 H LEU 88 HN LEU 88 -9.060 -5.683 3.691 628 HA LEU 88 HA LEU 88 -11.300 -4.448 2.434 629 HB2 LEU 88 HB2 LEU 88 -8.517 -3.487 3.056 630 HB3 LEU 88 HB1 LEU 88 -9.708 -2.475 2.275 631 HG LEU 88 HG LEU 88 -10.309 -3.752 4.915 632 HD11 LEU 88 HD11 LEU 88 -8.180 -2.593 5.188 633 HD12 LEU 88 HD12 LEU 88 -9.478 -1.722 6.004 634 HD13 LEU 88 HD13 LEU 88 -8.868 -1.144 4.455 635 HD21 LEU 88 HD21 LEU 88 -12.137 -2.709 3.648 636 HD22 LEU 88 HD22 LEU 88 -11.224 -1.200 3.592 637 HD23 LEU 88 HD23 LEU 88 -11.789 -1.832 5.138 638 H SER 89 HN SER 89 -11.768 -4.406 0.343 639 HA SER 89 HA SER 89 -9.551 -4.583 -1.587 640 HB2 SER 89 HB2 SER 89 -10.832 -6.736 -1.407 641 HB3 SER 89 HB1 SER 89 -12.271 -5.868 -1.941 642 HG SER 89 HG SER 89 -10.170 -6.818 -3.394 643 H CYS 90 HN CYS 90 -9.621 -3.154 -3.243 644 HA CYS 90 HA CYS 90 -11.596 -1.039 -3.053 645 HB2 CYS 90 HB2 CYS 90 -10.135 0.251 -4.463 646 HB3 CYS 90 HB1 CYS 90 -9.123 -0.576 -3.279 647 H THR 91 HN THR 91 -12.622 -0.159 -5.002 648 HA THR 91 HA THR 91 -13.930 -2.216 -6.484 649 HB THR 91 HB THR 91 -14.972 -0.240 -7.700 650 HG1 THR 91 HG1 THR 91 -13.396 1.331 -7.349 651 HG21 THR 91 HG21 THR 91 -16.063 -1.343 -5.820 652 HG22 THR 91 HG22 THR 91 -16.347 0.397 -5.774 653 HG23 THR 91 HG23 THR 91 -15.162 -0.333 -4.690 654 H GLU 92 HN GLU 92 -10.931 -1.043 -6.895 655 HA GLU 92 HA GLU 92 -11.028 -0.648 -9.765 656 HB2 GLU 92 HB2 GLU 92 -8.678 -0.562 -7.866 657 HB3 GLU 92 HB1 GLU 92 -8.658 -0.077 -9.558 658 HG2 GLU 92 HG2 GLU 92 -10.190 1.227 -7.319 659 HG3 GLU 92 HG1 GLU 92 -8.799 1.883 -8.179 660 H HIS 93 HN HIS 93 -11.254 -3.264 -8.050 661 HA HIS 93 HA HIS 93 -9.387 -4.842 -9.686 662 HB2 HIS 93 HB2 HIS 93 -10.684 -5.553 -7.042 663 HB3 HIS 93 HB1 HIS 93 -9.643 -6.623 -7.971 664 HD1 HIS 93 HD1 HIS 93 -7.573 -4.134 -8.594 665 HD2 HIS 93 HD2 HIS 93 -8.909 -5.569 -4.929 666 HE1 HIS 93 HE1 HIS 93 -5.816 -3.490 -6.890 667 H ASP 94 HN ASP 94 -10.245 -6.164 -11.168 668 HA ASP 94 HA ASP 94 -13.146 -6.564 -11.163 669 HB2 ASP 94 HB2 ASP 94 -12.264 -5.575 -13.198 670 HB3 ASP 94 HB1 ASP 94 -11.100 -6.884 -13.363 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 7.230 -12.407 15.486 2 H2 GLY 1 HT2 GLY 1 7.669 -12.144 17.093 3 H3 GLY 1 HT3 GLY 1 8.108 -13.585 16.321 4 HA2 GLY 1 HA1 GLY 1 10.004 -12.115 16.481 5 HA3 GLY 1 HA2 GLY 1 9.540 -12.388 14.808 6 H ALA 2 HN ALA 2 10.965 -10.311 14.865 7 HA ALA 2 HA ALA 2 9.161 -7.993 15.129 8 HB1 ALA 2 HB1 ALA 2 12.164 -8.020 15.418 9 HB2 ALA 2 HB2 ALA 2 11.003 -7.911 16.741 10 HB3 ALA 2 HB3 ALA 2 11.118 -6.607 15.559 11 H MET 3 HN MET 3 8.691 -9.047 12.882 12 HA MET 3 HA MET 3 10.622 -8.312 10.840 13 HB2 MET 3 HB2 MET 3 7.923 -9.652 10.684 14 HB3 MET 3 HB1 MET 3 8.909 -9.274 9.279 15 HG2 MET 3 HG2 MET 3 9.675 -11.100 11.542 16 HG3 MET 3 HG1 MET 3 9.155 -11.593 9.935 17 HE1 MET 3 HE1 MET 3 12.088 -10.388 7.671 18 HE2 MET 3 HE2 MET 3 10.605 -9.505 8.036 19 HE3 MET 3 HE3 MET 3 10.547 -11.243 7.743 20 H GLU 4 HN GLU 4 10.629 -6.066 10.983 21 HA GLU 4 HA GLU 4 8.119 -4.676 10.444 22 HB2 GLU 4 HB2 GLU 4 9.882 -3.905 12.162 23 HB3 GLU 4 HB1 GLU 4 10.809 -3.375 10.767 24 HG2 GLU 4 HG2 GLU 4 9.646 -1.489 11.531 25 HG3 GLU 4 HG1 GLU 4 8.794 -2.029 10.086 26 H ARG 5 HN ARG 5 10.752 -5.980 8.797 27 HA ARG 5 HA ARG 5 9.961 -4.517 6.378 28 HB2 ARG 5 HB2 ARG 5 12.759 -5.406 7.095 29 HB3 ARG 5 HB1 ARG 5 12.285 -4.673 5.568 30 HG2 ARG 5 HG2 ARG 5 11.581 -2.649 6.837 31 HG3 ARG 5 HG1 ARG 5 12.255 -3.388 8.290 32 HD2 ARG 5 HD2 ARG 5 14.447 -3.521 7.154 33 HD3 ARG 5 HD1 ARG 5 13.749 -2.685 5.767 34 HE ARG 5 HE ARG 5 13.367 -1.213 8.174 35 HH11 ARG 5 HH11 ARG 5 15.691 -1.948 5.665 36 HH12 ARG 5 HH12 ARG 5 16.653 -0.537 5.967 37 HH21 ARG 5 HH21 ARG 5 14.623 0.660 8.566 38 HH22 ARG 5 HH22 ARG 5 16.049 0.946 7.617 39 H GLU 6 HN GLU 6 8.754 -5.980 5.354 40 HA GLU 6 HA GLU 6 9.221 -8.784 5.406 41 HB2 GLU 6 HB2 GLU 6 7.000 -7.750 5.029 42 HB3 GLU 6 HB1 GLU 6 7.562 -7.128 3.487 43 HG2 GLU 6 HG2 GLU 6 6.159 -9.141 3.282 44 HG3 GLU 6 HG1 GLU 6 7.771 -9.348 2.602 45 H ASP 7 HN ASP 7 9.719 -10.105 3.459 46 HA ASP 7 HA ASP 7 11.706 -8.718 1.773 47 HB2 ASP 7 HB2 ASP 7 12.599 -10.405 3.451 48 HB3 ASP 7 HB1 ASP 7 11.789 -11.646 2.499 49 H GLU 8 HN GLU 8 9.193 -8.623 0.938 50 HA GLU 8 HA GLU 8 9.354 -9.909 -1.605 51 HB2 GLU 8 HB2 GLU 8 8.377 -11.736 -0.266 52 HB3 GLU 8 HB1 GLU 8 7.088 -10.663 0.253 53 HG2 GLU 8 HG2 GLU 8 6.314 -10.474 -2.050 54 HG3 GLU 8 HG1 GLU 8 7.609 -11.551 -2.576 55 H CYS 9 HN CYS 9 8.074 -8.836 -3.122 56 HA CYS 9 HA CYS 9 7.055 -6.282 -2.218 57 HB2 CYS 9 HB2 CYS 9 8.358 -6.390 -4.286 58 HB3 CYS 9 HB1 CYS 9 7.189 -7.518 -4.972 59 H PHE 10 HN PHE 10 5.032 -6.013 -1.609 60 HA PHE 10 HA PHE 10 3.083 -8.047 -1.801 61 HB2 PHE 10 HB2 PHE 10 3.052 -6.487 0.047 62 HB3 PHE 10 HB1 PHE 10 2.862 -5.123 -1.044 63 HD1 PHE 10 HD1 PHE 10 0.760 -4.271 -1.424 64 HD2 PHE 10 HD2 PHE 10 1.150 -8.278 -0.037 65 HE1 PHE 10 HE1 PHE 10 -1.683 -4.426 -1.194 66 HE2 PHE 10 HE2 PHE 10 -1.294 -8.438 0.187 67 HZ PHE 10 HZ PHE 10 -2.711 -6.511 -0.388 68 H SER 11 HN SER 11 3.944 -5.446 -3.904 69 HA SER 11 HA SER 11 1.458 -5.359 -5.319 70 HB2 SER 11 HB2 SER 11 4.167 -4.362 -6.214 71 HB3 SER 11 HB1 SER 11 2.599 -3.880 -6.859 72 HG SER 11 HG SER 11 2.959 -2.322 -5.443 73 H CYS 12 HN CYS 12 4.586 -6.959 -5.826 74 HA CYS 12 HA CYS 12 3.579 -7.940 -8.406 75 HB2 CYS 12 HB2 CYS 12 6.449 -7.835 -7.477 76 HB3 CYS 12 HB1 CYS 12 5.871 -8.173 -9.107 77 H GLY 13 HN GLY 13 4.769 -8.993 -5.294 78 HA2 GLY 13 HA2 GLY 13 4.480 -11.148 -4.408 79 HA3 GLY 13 HA1 GLY 13 4.193 -11.759 -6.033 80 H ASP 14 HN ASP 14 6.768 -9.979 -6.554 81 HA ASP 14 HA ASP 14 8.607 -12.220 -6.178 82 HB2 ASP 14 HB2 ASP 14 8.690 -9.782 -7.953 83 HB3 ASP 14 HB1 ASP 14 10.097 -10.809 -7.719 84 H ALA 15 HN ALA 15 10.800 -11.792 -5.489 85 HA ALA 15 HA ALA 15 11.016 -9.462 -3.704 86 HB1 ALA 15 HB1 ALA 15 12.222 -12.191 -3.276 87 HB2 ALA 15 HB2 ALA 15 10.795 -11.561 -2.453 88 HB3 ALA 15 HB3 ALA 15 12.365 -10.798 -2.202 89 H GLY 16 HN GLY 16 13.207 -8.663 -3.400 90 HA2 GLY 16 HA2 GLY 16 15.512 -9.259 -4.640 91 HA3 GLY 16 HA1 GLY 16 14.561 -8.570 -5.950 92 H GLN 17 HN GLN 17 14.743 -6.435 -6.234 93 HA GLN 17 HA GLN 17 16.103 -4.839 -4.248 94 HB2 GLN 17 HB2 GLN 17 16.601 -4.511 -6.624 95 HB3 GLN 17 HB1 GLN 17 14.928 -4.054 -6.919 96 HG2 GLN 17 HG2 GLN 17 15.215 -2.136 -5.409 97 HG3 GLN 17 HG1 GLN 17 16.909 -2.576 -5.204 98 HE21 GLN 17 HE21 GLN 17 17.599 -0.615 -6.035 99 HE22 GLN 17 HE22 GLN 17 17.516 -0.257 -7.726 100 H LEU 18 HN LEU 18 14.652 -4.840 -2.531 101 HA LEU 18 HA LEU 18 12.067 -3.552 -3.002 102 HB2 LEU 18 HB2 LEU 18 13.050 -5.096 -0.603 103 HB3 LEU 18 HB1 LEU 18 11.442 -4.417 -0.791 104 HG LEU 18 HG LEU 18 12.545 -6.483 -2.677 105 HD11 LEU 18 HD11 LEU 18 12.555 -7.467 -0.478 106 HD12 LEU 18 HD12 LEU 18 11.211 -8.118 -1.416 107 HD13 LEU 18 HD13 LEU 18 10.915 -6.893 -0.185 108 HD21 LEU 18 HD21 LEU 18 10.185 -6.830 -3.189 109 HD22 LEU 18 HD22 LEU 18 10.681 -5.170 -3.507 110 HD23 LEU 18 HD23 LEU 18 9.754 -5.549 -2.058 111 H VAL 19 HN VAL 19 11.494 -1.704 -1.997 112 HA VAL 19 HA VAL 19 13.486 -0.427 -0.246 113 HB VAL 19 HB VAL 19 13.243 0.894 -2.241 114 HG11 VAL 19 HG11 VAL 19 11.167 0.105 -3.121 115 HG12 VAL 19 HG12 VAL 19 11.048 1.851 -2.910 116 HG13 VAL 19 HG13 VAL 19 10.276 0.769 -1.751 117 HG21 VAL 19 HG21 VAL 19 12.411 3.019 -1.331 118 HG22 VAL 19 HG22 VAL 19 13.447 2.161 -0.191 119 HG23 VAL 19 HG23 VAL 19 11.697 2.142 0.023 120 H SER 20 HN SER 20 12.849 0.086 1.779 121 HA SER 20 HA SER 20 10.192 -0.906 2.495 122 HB2 SER 20 HB2 SER 20 12.176 -2.008 3.499 123 HB3 SER 20 HB1 SER 20 12.600 -0.484 4.276 124 HG SER 20 HG SER 20 10.979 -0.716 5.659 125 H CYS 21 HN CYS 21 8.910 0.127 3.979 126 HA CYS 21 HA CYS 21 8.790 2.962 3.708 127 HB2 CYS 21 HB2 CYS 21 6.858 1.283 3.925 128 HB3 CYS 21 HB1 CYS 21 7.224 1.256 5.649 129 H LYS 22 HN LYS 22 9.405 4.540 5.162 130 HA LYS 22 HA LYS 22 11.086 3.653 7.373 131 HB2 LYS 22 HB2 LYS 22 10.558 6.455 6.360 132 HB3 LYS 22 HB1 LYS 22 11.787 5.988 7.525 133 HG2 LYS 22 HG2 LYS 22 11.682 5.134 4.638 134 HG3 LYS 22 HG1 LYS 22 12.738 6.373 5.317 135 HD2 LYS 22 HD2 LYS 22 13.745 4.644 6.781 136 HD3 LYS 22 HD1 LYS 22 12.751 3.428 5.973 137 HE2 LYS 22 HE2 LYS 22 14.944 3.419 4.985 138 HE3 LYS 22 HE1 LYS 22 13.797 4.077 3.820 139 HZ1 LYS 22 HZ1 LYS 22 14.522 6.328 4.547 140 HZ2 LYS 22 HZ2 LYS 22 15.740 5.427 3.799 141 HZ3 LYS 22 HZ3 LYS 22 15.731 5.598 5.478 142 H LYS 23 HN LYS 23 8.255 3.265 7.577 143 HA LYS 23 HA LYS 23 7.609 5.052 9.828 144 HB2 LYS 23 HB2 LYS 23 6.029 5.329 7.974 145 HB3 LYS 23 HB1 LYS 23 5.738 3.597 7.943 146 HG2 LYS 23 HG2 LYS 23 3.895 4.637 9.027 147 HG3 LYS 23 HG1 LYS 23 4.820 3.766 10.246 148 HD2 LYS 23 HD2 LYS 23 4.175 5.903 11.133 149 HD3 LYS 23 HD1 LYS 23 5.919 5.901 10.871 150 HE2 LYS 23 HE2 LYS 23 4.987 8.005 10.126 151 HE3 LYS 23 HE1 LYS 23 5.570 7.091 8.737 152 HZ1 LYS 23 HZ1 LYS 23 3.214 6.334 8.436 153 HZ2 LYS 23 HZ2 LYS 23 3.484 7.982 8.150 154 HZ3 LYS 23 HZ3 LYS 23 2.763 7.476 9.601 155 HA PRO 24 HA PRO 24 7.998 1.210 12.228 156 HB2 PRO 24 HB2 PRO 24 6.761 3.018 14.241 157 HB3 PRO 24 HB1 PRO 24 8.184 1.981 14.388 158 HG2 PRO 24 HG2 PRO 24 8.449 4.618 14.159 159 HG3 PRO 24 HG1 PRO 24 9.574 3.515 13.342 160 HD2 PRO 24 HD2 PRO 24 7.285 5.077 12.201 161 HD3 PRO 24 HD1 PRO 24 8.882 4.741 11.497 162 H GLY 25 HN GLY 25 6.478 -0.367 12.481 163 HA2 GLY 25 HA2 GLY 25 4.322 -1.208 12.954 164 HA3 GLY 25 HA1 GLY 25 3.667 0.414 12.749 165 H CYS 26 HN CYS 26 5.548 0.272 10.186 166 HA CYS 26 HA CYS 26 3.513 -1.042 8.509 167 HB2 CYS 26 HB2 CYS 26 3.840 1.432 8.215 168 HB3 CYS 26 HB1 CYS 26 5.497 1.102 7.716 169 HA PRO 27 HA PRO 27 7.139 -3.644 7.757 170 HB2 PRO 27 HB2 PRO 27 5.871 -5.983 7.671 171 HB3 PRO 27 HB1 PRO 27 6.044 -5.117 9.205 172 HG2 PRO 27 HG2 PRO 27 3.668 -5.365 7.416 173 HG3 PRO 27 HG1 PRO 27 3.740 -5.325 9.192 174 HD2 PRO 27 HD2 PRO 27 3.151 -3.147 7.492 175 HD3 PRO 27 HD1 PRO 27 3.548 -3.061 9.223 176 H LYS 28 HN LYS 28 4.980 -2.421 5.725 177 HA LYS 28 HA LYS 28 4.987 -4.434 3.653 178 HB2 LYS 28 HB2 LYS 28 3.424 -2.124 4.261 179 HB3 LYS 28 HB1 LYS 28 4.100 -1.907 2.650 180 HG2 LYS 28 HG2 LYS 28 1.896 -2.962 2.567 181 HG3 LYS 28 HG1 LYS 28 3.151 -4.026 1.931 182 HD2 LYS 28 HD2 LYS 28 3.181 -5.292 3.999 183 HD3 LYS 28 HD1 LYS 28 2.032 -4.171 4.734 184 HE2 LYS 28 HE2 LYS 28 0.332 -4.824 3.135 185 HE3 LYS 28 HE1 LYS 28 1.478 -5.879 2.310 186 HZ1 LYS 28 HZ1 LYS 28 0.062 -7.152 3.765 187 HZ2 LYS 28 HZ2 LYS 28 0.491 -6.201 5.094 188 HZ3 LYS 28 HZ3 LYS 28 1.646 -7.189 4.352 189 H VAL 29 HN VAL 29 6.157 -4.449 1.803 190 HA VAL 29 HA VAL 29 8.136 -2.325 1.384 191 HB VAL 29 HB VAL 29 9.015 -4.359 2.722 192 HG11 VAL 29 HG11 VAL 29 9.813 -6.229 1.385 193 HG12 VAL 29 HG12 VAL 29 8.982 -5.570 -0.024 194 HG13 VAL 29 HG13 VAL 29 8.053 -6.113 1.372 195 HG21 VAL 29 HG21 VAL 29 10.379 -3.270 0.292 196 HG22 VAL 29 HG22 VAL 29 11.179 -4.330 1.449 197 HG23 VAL 29 HG23 VAL 29 10.557 -2.767 1.972 198 H TYR 30 HN TYR 30 8.818 -2.145 -0.805 199 HA TYR 30 HA TYR 30 7.436 -3.804 -2.792 200 HB2 TYR 30 HB2 TYR 30 7.294 -0.778 -2.837 201 HB3 TYR 30 HB1 TYR 30 6.544 -1.882 -3.980 202 HD1 TYR 30 HD1 TYR 30 4.668 -3.389 -3.127 203 HD2 TYR 30 HD2 TYR 30 6.142 -0.063 -0.921 204 HE1 TYR 30 HE1 TYR 30 2.615 -3.382 -1.777 205 HE2 TYR 30 HE2 TYR 30 4.093 -0.051 0.434 206 HH TYR 30 HH TYR 30 1.899 -2.593 0.488 207 H HIS 31 HN HIS 31 8.252 -3.242 -5.030 208 HA HIS 31 HA HIS 31 11.102 -2.762 -5.003 209 HB2 HIS 31 HB2 HIS 31 9.251 -3.024 -7.390 210 HB3 HIS 31 HB1 HIS 31 11.010 -3.080 -7.424 211 HD2 HIS 31 HD2 HIS 31 11.901 -5.358 -5.638 212 HE1 HIS 31 HE1 HIS 31 8.658 -7.620 -7.143 213 HE2 HIS 31 HE2 HIS 31 11.020 -7.736 -6.210 214 H ALA 32 HN ALA 32 12.130 -0.982 -5.872 215 HA ALA 32 HA ALA 32 10.783 1.493 -5.723 216 HB1 ALA 32 HB1 ALA 32 13.159 1.292 -5.261 217 HB2 ALA 32 HB2 ALA 32 12.878 2.449 -6.562 218 HB3 ALA 32 HB3 ALA 32 13.459 0.827 -6.936 219 H ASP 33 HN ASP 33 11.498 -0.724 -8.316 220 HA ASP 33 HA ASP 33 11.018 1.024 -10.483 221 HB2 ASP 33 HB2 ASP 33 12.218 -1.126 -10.713 222 HB3 ASP 33 HB1 ASP 33 10.713 -1.984 -10.413 223 H CYS 34 HN CYS 34 8.863 -1.296 -8.823 224 HA CYS 34 HA CYS 34 6.663 -0.681 -10.550 225 HB2 CYS 34 HB2 CYS 34 5.344 -2.027 -8.814 226 HB3 CYS 34 HB1 CYS 34 6.647 -2.880 -9.636 227 H LEU 35 HN LEU 35 8.021 0.844 -7.865 228 HA LEU 35 HA LEU 35 5.582 2.315 -7.236 229 HB2 LEU 35 HB2 LEU 35 8.367 2.414 -6.096 230 HB3 LEU 35 HB1 LEU 35 7.081 3.490 -5.593 231 HG LEU 35 HG LEU 35 6.962 0.487 -5.331 232 HD11 LEU 35 HD11 LEU 35 7.246 1.105 -2.868 233 HD12 LEU 35 HD12 LEU 35 7.868 2.644 -3.460 234 HD13 LEU 35 HD13 LEU 35 8.681 1.140 -3.891 235 HD21 LEU 35 HD21 LEU 35 4.768 1.519 -5.425 236 HD22 LEU 35 HD22 LEU 35 5.250 2.706 -4.215 237 HD23 LEU 35 HD23 LEU 35 5.115 1.004 -3.775 238 H ASN 36 HN ASN 36 7.906 2.440 -9.531 239 HA ASN 36 HA ASN 36 8.665 3.962 -11.016 240 HB2 ASN 36 HB2 ASN 36 6.159 4.473 -11.074 241 HB3 ASN 36 HB1 ASN 36 6.522 5.841 -10.035 242 HD21 ASN 36 HD21 ASN 36 7.018 4.436 -13.189 243 HD22 ASN 36 HD22 ASN 36 7.481 5.900 -13.984 244 H LEU 37 HN LEU 37 9.835 3.853 -8.449 245 HA LEU 37 HA LEU 37 10.437 6.586 -7.701 246 HB2 LEU 37 HB2 LEU 37 11.354 3.928 -6.641 247 HB3 LEU 37 HB1 LEU 37 12.013 5.448 -6.073 248 HG LEU 37 HG LEU 37 9.140 4.551 -5.822 249 HD11 LEU 37 HD11 LEU 37 10.714 3.396 -4.330 250 HD12 LEU 37 HD12 LEU 37 9.610 4.450 -3.447 251 HD13 LEU 37 HD13 LEU 37 11.275 4.958 -3.733 252 HD21 LEU 37 HD21 LEU 37 10.492 7.079 -4.884 253 HD22 LEU 37 HD22 LEU 37 8.859 6.573 -4.451 254 HD23 LEU 37 HD23 LEU 37 9.246 6.956 -6.127 255 H THR 38 HN THR 38 11.269 6.951 -9.945 256 HA THR 38 HA THR 38 13.789 5.930 -10.714 257 HB THR 38 HB THR 38 12.613 8.629 -11.411 258 HG1 THR 38 HG1 THR 38 11.528 7.560 -13.050 259 HG21 THR 38 HG21 THR 38 14.970 8.304 -12.051 260 HG22 THR 38 HG22 THR 38 13.913 8.407 -13.458 261 HG23 THR 38 HG23 THR 38 14.520 6.840 -12.925 262 H LYS 39 HN LYS 39 12.744 8.476 -8.595 263 HA LYS 39 HA LYS 39 15.474 9.353 -8.092 264 HB2 LYS 39 HB2 LYS 39 12.836 10.309 -6.951 265 HB3 LYS 39 HB1 LYS 39 14.405 10.984 -6.538 266 HG2 LYS 39 HG2 LYS 39 14.727 11.700 -8.843 267 HG3 LYS 39 HG1 LYS 39 13.182 10.982 -9.295 268 HD2 LYS 39 HD2 LYS 39 12.956 13.386 -8.989 269 HD3 LYS 39 HD1 LYS 39 12.029 12.516 -7.767 270 HE2 LYS 39 HE2 LYS 39 13.202 14.396 -6.773 271 HE3 LYS 39 HE1 LYS 39 13.833 12.876 -6.150 272 HZ1 LYS 39 HZ1 LYS 39 15.090 14.556 -8.251 273 HZ2 LYS 39 HZ2 LYS 39 15.689 13.073 -7.709 274 HZ3 LYS 39 HZ3 LYS 39 15.621 14.390 -6.654 275 H ARG 40 HN ARG 40 16.512 9.054 -6.136 276 HA ARG 40 HA ARG 40 15.527 6.804 -4.574 277 HB2 ARG 40 HB2 ARG 40 18.178 8.253 -4.424 278 HB3 ARG 40 HB1 ARG 40 17.778 6.735 -3.629 279 HG2 ARG 40 HG2 ARG 40 17.617 5.599 -5.719 280 HG3 ARG 40 HG1 ARG 40 17.762 7.112 -6.612 281 HD2 ARG 40 HD2 ARG 40 19.877 6.030 -6.709 282 HD3 ARG 40 HD1 ARG 40 20.035 7.387 -5.595 283 HE ARG 40 HE ARG 40 19.378 5.006 -4.196 284 HH11 ARG 40 HH11 ARG 40 22.017 6.635 -5.806 285 HH12 ARG 40 HH12 ARG 40 23.249 5.817 -4.902 286 HH21 ARG 40 HH21 ARG 40 21.000 3.926 -2.988 287 HH22 ARG 40 HH22 ARG 40 22.670 4.286 -3.287 288 HA PRO 41 HA PRO 41 13.937 9.850 -1.688 289 HB2 PRO 41 HB2 PRO 41 12.921 8.058 0.095 290 HB3 PRO 41 HB1 PRO 41 12.095 8.522 -1.395 291 HG2 PRO 41 HG2 PRO 41 13.748 6.098 -0.812 292 HG3 PRO 41 HG1 PRO 41 12.218 6.225 -1.704 293 HD2 PRO 41 HD2 PRO 41 14.601 6.018 -2.965 294 HD3 PRO 41 HD1 PRO 41 13.261 6.966 -3.643 295 H ALA 42 HN ALA 42 14.885 10.827 0.006 296 HA ALA 42 HA ALA 42 16.967 9.322 1.442 297 HB1 ALA 42 HB1 ALA 42 17.842 11.142 0.063 298 HB2 ALA 42 HB2 ALA 42 18.108 11.450 1.778 299 HB3 ALA 42 HB3 ALA 42 16.815 12.288 0.924 300 H GLY 43 HN GLY 43 16.701 9.032 3.578 301 HA2 GLY 43 HA2 GLY 43 16.171 9.630 5.772 302 HA3 GLY 43 HA1 GLY 43 15.320 11.038 5.158 303 H LYS 44 HN LYS 44 13.293 10.946 5.817 304 HA LYS 44 HA LYS 44 11.985 8.428 6.313 305 HB2 LYS 44 HB2 LYS 44 11.604 10.281 7.839 306 HB3 LYS 44 HB1 LYS 44 10.989 11.274 6.523 307 HG2 LYS 44 HG2 LYS 44 9.140 9.629 6.234 308 HG3 LYS 44 HG1 LYS 44 9.719 8.800 7.680 309 HD2 LYS 44 HD2 LYS 44 8.843 11.684 7.560 310 HD3 LYS 44 HD1 LYS 44 7.853 10.347 8.141 311 HE2 LYS 44 HE2 LYS 44 9.458 9.912 9.917 312 HE3 LYS 44 HE1 LYS 44 10.492 11.202 9.314 313 HZ1 LYS 44 HZ1 LYS 44 9.167 11.932 11.190 314 HZ2 LYS 44 HZ2 LYS 44 7.742 11.555 10.366 315 HZ3 LYS 44 HZ3 LYS 44 8.746 12.789 9.795 316 H TRP 45 HN TRP 45 11.353 7.333 4.568 317 HA TRP 45 HA TRP 45 9.675 8.749 2.628 318 HB2 TRP 45 HB2 TRP 45 11.575 7.678 1.554 319 HB3 TRP 45 HB1 TRP 45 11.196 6.150 2.343 320 HD1 TRP 45 HD1 TRP 45 9.719 8.537 -0.313 321 HE1 TRP 45 HE1 TRP 45 8.257 7.159 -1.911 322 HE3 TRP 45 HE3 TRP 45 10.008 4.011 2.040 323 HZ2 TRP 45 HZ2 TRP 45 7.345 4.497 -2.148 324 HZ3 TRP 45 HZ3 TRP 45 8.812 2.093 1.060 325 HH2 TRP 45 HH2 TRP 45 7.509 2.333 -0.990 326 H GLU 46 HN GLU 46 7.564 8.373 2.750 327 HA GLU 46 HA GLU 46 6.655 6.029 4.260 328 HB2 GLU 46 HB2 GLU 46 5.254 8.600 3.514 329 HB3 GLU 46 HB1 GLU 46 4.451 7.244 4.290 330 HG2 GLU 46 HG2 GLU 46 5.896 7.454 6.221 331 HG3 GLU 46 HG1 GLU 46 6.787 8.758 5.436 332 H CYS 47 HN CYS 47 5.525 4.452 3.284 333 HA CYS 47 HA CYS 47 5.537 4.229 0.479 334 HB2 CYS 47 HB2 CYS 47 4.367 2.153 0.784 335 HB3 CYS 47 HB1 CYS 47 5.510 2.303 2.112 336 HA PRO 48 HA PRO 48 1.913 6.473 -0.748 337 HB2 PRO 48 HB2 PRO 48 1.100 4.898 -2.860 338 HB3 PRO 48 HB1 PRO 48 2.396 6.099 -2.954 339 HG2 PRO 48 HG2 PRO 48 2.576 3.137 -2.573 340 HG3 PRO 48 HG1 PRO 48 3.573 4.201 -3.583 341 HD2 PRO 48 HD2 PRO 48 4.447 3.303 -1.212 342 HD3 PRO 48 HD1 PRO 48 4.834 4.944 -1.772 343 H TRP 49 HN TRP 49 1.866 3.369 0.490 344 HA TRP 49 HA TRP 49 -0.933 2.792 0.335 345 HB2 TRP 49 HB2 TRP 49 1.119 1.208 0.761 346 HB3 TRP 49 HB1 TRP 49 0.925 1.704 2.441 347 HD1 TRP 49 HD1 TRP 49 -1.883 0.737 -0.066 348 HE1 TRP 49 HE1 TRP 49 -3.168 -1.268 0.925 349 HE3 TRP 49 HE3 TRP 49 0.918 -0.021 4.151 350 HZ2 TRP 49 HZ2 TRP 49 -3.023 -2.926 3.202 351 HZ3 TRP 49 HZ3 TRP 49 0.274 -1.829 5.689 352 HH2 TRP 49 HH2 TRP 49 -1.661 -3.255 5.221 353 H HIS 50 HN HIS 50 0.794 5.118 1.965 354 HA HIS 50 HA HIS 50 -1.254 5.340 4.069 355 HB2 HIS 50 HB2 HIS 50 1.357 6.856 3.848 356 HB3 HIS 50 HB1 HIS 50 0.228 6.897 5.203 357 HD1 HIS 50 HD1 HIS 50 -0.052 3.618 5.150 358 HD2 HIS 50 HD2 HIS 50 3.385 5.936 5.451 359 HE1 HIS 50 HE1 HIS 50 1.700 2.164 6.271 360 H GLN 51 HN GLN 51 -0.889 6.249 1.019 361 HA GLN 51 HA GLN 51 -1.909 8.972 1.474 362 HB2 GLN 51 HB2 GLN 51 -0.199 8.036 -0.839 363 HB3 GLN 51 HB1 GLN 51 -0.894 9.641 -0.669 364 HG2 GLN 51 HG2 GLN 51 1.012 8.450 1.317 365 HG3 GLN 51 HG1 GLN 51 1.522 9.432 -0.052 366 HE21 GLN 51 HE21 GLN 51 -0.146 9.432 3.023 367 HE22 GLN 51 HE22 GLN 51 -0.119 11.145 3.249 368 H CYS 52 HN CYS 52 -3.705 9.552 0.430 369 HA CYS 52 HA CYS 52 -5.383 7.515 -0.615 370 HB2 CYS 52 HB2 CYS 52 -6.244 9.467 0.604 371 HB3 CYS 52 HB1 CYS 52 -5.669 10.524 -0.677 372 H ASP 53 HN ASP 53 -5.331 6.712 -2.591 373 HA ASP 53 HA ASP 53 -3.597 7.594 -4.595 374 HB2 ASP 53 HB2 ASP 53 -4.467 5.286 -4.441 375 HB3 ASP 53 HB1 ASP 53 -6.065 5.860 -4.910 376 H VAL 54 HN VAL 54 -6.752 8.693 -3.787 377 HA VAL 54 HA VAL 54 -7.308 9.754 -6.421 378 HB VAL 54 HB VAL 54 -8.847 10.104 -3.845 379 HG11 VAL 54 HG11 VAL 54 -9.595 10.776 -6.687 380 HG12 VAL 54 HG12 VAL 54 -9.278 11.927 -5.386 381 HG13 VAL 54 HG13 VAL 54 -10.678 10.854 -5.296 382 HG21 VAL 54 HG21 VAL 54 -9.313 8.276 -6.196 383 HG22 VAL 54 HG22 VAL 54 -10.409 8.491 -4.831 384 HG23 VAL 54 HG23 VAL 54 -8.811 7.787 -4.577 385 H CYS 55 HN CYS 55 -6.790 11.188 -3.159 386 HA CYS 55 HA CYS 55 -6.444 13.750 -4.549 387 HB2 CYS 55 HB2 CYS 55 -7.012 14.856 -2.438 388 HB3 CYS 55 HB1 CYS 55 -8.280 13.772 -2.984 389 H GLY 56 HN GLY 56 -4.597 11.400 -3.036 390 HA2 GLY 56 HA2 GLY 56 -2.305 11.375 -2.777 391 HA3 GLY 56 HA1 GLY 56 -2.273 13.069 -3.250 392 H LYS 57 HN LYS 57 -4.476 12.762 -0.803 393 HA LYS 57 HA LYS 57 -2.568 13.831 1.112 394 HB2 LYS 57 HB2 LYS 57 -5.578 13.644 1.237 395 HB3 LYS 57 HB1 LYS 57 -4.562 14.444 2.425 396 HG2 LYS 57 HG2 LYS 57 -3.835 16.051 0.765 397 HG3 LYS 57 HG1 LYS 57 -4.786 15.226 -0.473 398 HD2 LYS 57 HD2 LYS 57 -6.835 15.733 0.740 399 HD3 LYS 57 HD1 LYS 57 -5.902 16.513 2.016 400 HE2 LYS 57 HE2 LYS 57 -5.097 18.175 0.417 401 HE3 LYS 57 HE1 LYS 57 -6.013 17.391 -0.868 402 HZ1 LYS 57 HZ1 LYS 57 -7.187 19.310 -0.007 403 HZ2 LYS 57 HZ2 LYS 57 -7.165 18.665 1.556 404 HZ3 LYS 57 HZ3 LYS 57 -8.051 17.898 0.339 405 H GLU 58 HN GLU 58 -3.620 13.192 3.503 406 HA GLU 58 HA GLU 58 -2.548 10.705 4.087 407 HB2 GLU 58 HB2 GLU 58 -2.835 12.423 5.776 408 HB3 GLU 58 HB1 GLU 58 -4.582 12.334 5.617 409 HG2 GLU 58 HG2 GLU 58 -4.561 10.066 6.492 410 HG3 GLU 58 HG1 GLU 58 -2.803 10.125 6.621 411 H ALA 59 HN ALA 59 -3.266 8.686 3.962 412 HA ALA 59 HA ALA 59 -6.030 8.188 3.188 413 HB1 ALA 59 HB1 ALA 59 -5.277 5.877 2.846 414 HB2 ALA 59 HB2 ALA 59 -3.670 6.327 3.419 415 HB3 ALA 59 HB3 ALA 59 -4.310 7.034 1.936 416 H ALA 60 HN ALA 60 -7.442 6.939 4.384 417 HA ALA 60 HA ALA 60 -6.706 6.619 7.215 418 HB1 ALA 60 HB1 ALA 60 -9.034 6.906 7.751 419 HB2 ALA 60 HB2 ALA 60 -9.463 6.935 6.042 420 HB3 ALA 60 HB3 ALA 60 -8.504 8.243 6.735 421 H SER 61 HN SER 61 -8.146 5.069 4.424 422 HA SER 61 HA SER 61 -8.104 2.536 5.911 423 HB2 SER 61 HB2 SER 61 -9.967 1.812 4.393 424 HB3 SER 61 HB1 SER 61 -10.406 3.118 5.485 425 HG SER 61 HG SER 61 -9.451 3.668 2.897 426 H PHE 62 HN PHE 62 -7.282 0.740 4.833 427 HA PHE 62 HA PHE 62 -5.703 1.436 2.438 428 HB2 PHE 62 HB2 PHE 62 -4.869 -0.620 4.482 429 HB3 PHE 62 HB1 PHE 62 -3.860 0.244 3.316 430 HD1 PHE 62 HD1 PHE 62 -4.704 -0.005 6.671 431 HD2 PHE 62 HD2 PHE 62 -3.931 2.911 3.672 432 HE1 PHE 62 HE1 PHE 62 -4.165 1.642 8.415 433 HE2 PHE 62 HE2 PHE 62 -3.395 4.562 5.410 434 HZ PHE 62 HZ PHE 62 -3.507 3.930 7.785 435 H CYS 63 HN CYS 63 -5.982 0.127 0.686 436 HA CYS 63 HA CYS 63 -7.713 -2.141 0.810 437 HB2 CYS 63 HB2 CYS 63 -7.363 -0.693 -1.245 438 HB3 CYS 63 HB1 CYS 63 -5.801 -1.486 -1.439 439 H GLU 64 HN GLU 64 -7.227 -4.186 1.278 440 HA GLU 64 HA GLU 64 -4.478 -4.785 2.010 441 HB2 GLU 64 HB2 GLU 64 -7.009 -6.402 2.313 442 HB3 GLU 64 HB1 GLU 64 -5.436 -6.883 2.928 443 HG2 GLU 64 HG2 GLU 64 -5.408 -4.900 4.375 444 HG3 GLU 64 HG1 GLU 64 -6.998 -4.448 3.767 445 H MET 65 HN MET 65 -5.864 -4.770 -0.845 446 HA MET 65 HA MET 65 -4.632 -7.312 -1.690 447 HB2 MET 65 HB2 MET 65 -6.900 -5.778 -2.966 448 HB3 MET 65 HB1 MET 65 -6.103 -7.167 -3.702 449 HG2 MET 65 HG2 MET 65 -6.821 -8.571 -1.841 450 HG3 MET 65 HG1 MET 65 -7.611 -7.184 -1.093 451 HE1 MET 65 HE1 MET 65 -9.010 -10.072 -1.867 452 HE2 MET 65 HE2 MET 65 -10.584 -9.457 -2.365 453 HE3 MET 65 HE3 MET 65 -9.778 -8.775 -0.952 454 H CYS 66 HN CYS 66 -4.269 -3.954 -1.813 455 HA CYS 66 HA CYS 66 -2.180 -4.143 -3.758 456 HB2 CYS 66 HB2 CYS 66 -3.117 -2.795 -5.489 457 HB3 CYS 66 HB1 CYS 66 -4.328 -4.021 -5.132 458 HA PRO 67 HA PRO 67 -0.755 -0.585 -1.579 459 HB2 PRO 67 HB2 PRO 67 0.174 0.768 -4.011 460 HB3 PRO 67 HB1 PRO 67 1.118 0.047 -2.706 461 HG2 PRO 67 HG2 PRO 67 1.028 -1.051 -5.154 462 HG3 PRO 67 HG1 PRO 67 1.129 -2.038 -3.684 463 HD2 PRO 67 HD2 PRO 67 -1.291 -1.392 -5.356 464 HD3 PRO 67 HD1 PRO 67 -0.778 -2.959 -4.676 465 H SER 68 HN SER 68 -3.429 -0.273 -3.393 466 HA SER 68 HA SER 68 -3.546 2.617 -3.531 467 HB2 SER 68 HB2 SER 68 -5.728 0.596 -4.105 468 HB3 SER 68 HB1 SER 68 -5.724 2.302 -4.553 469 HG SER 68 HG SER 68 -5.044 0.658 -6.197 470 H SER 69 HN SER 69 -3.917 3.717 -1.741 471 HA SER 69 HA SER 69 -5.928 2.689 0.144 472 HB2 SER 69 HB2 SER 69 -4.682 4.189 1.816 473 HB3 SER 69 HB1 SER 69 -3.862 2.711 1.313 474 HG SER 69 HG SER 69 -3.426 5.185 -0.004 475 H PHE 70 HN PHE 70 -7.135 4.466 1.314 476 HA PHE 70 HA PHE 70 -7.473 6.833 -0.386 477 HB2 PHE 70 HB2 PHE 70 -9.740 5.008 0.448 478 HB3 PHE 70 HB1 PHE 70 -9.914 6.532 -0.422 479 HD1 PHE 70 HD1 PHE 70 -8.720 6.700 -2.693 480 HD2 PHE 70 HD2 PHE 70 -9.551 3.023 -0.726 481 HE1 PHE 70 HE1 PHE 70 -8.518 5.513 -4.839 482 HE2 PHE 70 HE2 PHE 70 -9.352 1.826 -2.867 483 HZ PHE 70 HZ PHE 70 -8.833 3.049 -4.915 484 H CYS 71 HN CYS 71 -8.510 8.588 0.622 485 HA CYS 71 HA CYS 71 -8.144 8.725 3.473 486 HB2 CYS 71 HB2 CYS 71 -8.743 11.061 3.251 487 HB3 CYS 71 HB1 CYS 71 -7.644 10.636 1.943 488 H LYS 72 HN LYS 72 -10.073 9.955 4.686 489 HA LYS 72 HA LYS 72 -12.115 8.056 4.945 490 HB2 LYS 72 HB2 LYS 72 -12.024 10.924 5.866 491 HB3 LYS 72 HB1 LYS 72 -13.236 9.755 6.374 492 HG2 LYS 72 HG2 LYS 72 -11.544 8.383 7.399 493 HG3 LYS 72 HG1 LYS 72 -10.276 9.444 6.796 494 HD2 LYS 72 HD2 LYS 72 -11.235 11.282 8.148 495 HD3 LYS 72 HD1 LYS 72 -12.403 10.136 8.813 496 HE2 LYS 72 HE2 LYS 72 -10.596 8.791 9.721 497 HE3 LYS 72 HE1 LYS 72 -9.407 9.878 9.010 498 HZ1 LYS 72 HZ1 LYS 72 -9.676 10.390 11.316 499 HZ2 LYS 72 HZ2 LYS 72 -11.350 10.544 11.145 500 HZ3 LYS 72 HZ3 LYS 72 -10.322 11.663 10.409 501 H GLN 73 HN GLN 73 -11.918 10.950 3.003 502 HA GLN 73 HA GLN 73 -14.685 11.017 2.292 503 HB2 GLN 73 HB2 GLN 73 -12.225 12.348 1.220 504 HB3 GLN 73 HB1 GLN 73 -13.766 12.500 0.390 505 HG2 GLN 73 HG2 GLN 73 -13.240 13.288 3.246 506 HG3 GLN 73 HG1 GLN 73 -13.293 14.396 1.875 507 HE21 GLN 73 HE21 GLN 73 -15.127 12.456 4.069 508 HE22 GLN 73 HE22 GLN 73 -16.690 13.036 3.610 509 H HIS 74 HN HIS 74 -11.755 9.885 0.640 510 HA HIS 74 HA HIS 74 -13.392 9.061 -1.625 511 HB2 HIS 74 HB2 HIS 74 -10.382 9.136 -1.296 512 HB3 HIS 74 HB1 HIS 74 -11.222 8.645 -2.770 513 HD2 HIS 74 HD2 HIS 74 -13.409 11.045 -2.873 514 HE1 HIS 74 HE1 HIS 74 -10.029 13.568 -2.810 515 HE2 HIS 74 HE2 HIS 74 -12.538 13.476 -3.107 516 H ARG 75 HN ARG 75 -12.900 7.611 1.143 517 HA ARG 75 HA ARG 75 -12.201 4.993 0.081 518 HB2 ARG 75 HB2 ARG 75 -12.257 4.186 2.335 519 HB3 ARG 75 HB1 ARG 75 -11.382 5.711 2.331 520 HG2 ARG 75 HG2 ARG 75 -13.389 6.851 3.140 521 HG3 ARG 75 HG1 ARG 75 -14.245 5.310 3.164 522 HD2 ARG 75 HD2 ARG 75 -12.660 4.449 4.804 523 HD3 ARG 75 HD1 ARG 75 -11.781 5.974 4.775 524 HE ARG 75 HE ARG 75 -14.557 6.321 5.386 525 HH11 ARG 75 HH11 ARG 75 -11.476 5.406 6.787 526 HH12 ARG 75 HH12 ARG 75 -11.900 5.932 8.384 527 HH21 ARG 75 HH21 ARG 75 -15.102 7.035 7.489 528 HH22 ARG 75 HH22 ARG 75 -13.952 6.868 8.778 529 H GLU 76 HN GLU 76 -15.009 6.827 0.978 530 HA GLU 76 HA GLU 76 -16.751 4.648 1.440 531 HB2 GLU 76 HB2 GLU 76 -17.427 7.457 0.567 532 HB3 GLU 76 HB1 GLU 76 -18.555 6.294 1.246 533 HG2 GLU 76 HG2 GLU 76 -16.219 7.585 2.633 534 HG3 GLU 76 HG1 GLU 76 -17.928 7.881 2.934 535 H GLY 77 HN GLY 77 -17.644 3.289 0.017 536 HA2 GLY 77 HA2 GLY 77 -18.596 2.535 -1.951 537 HA3 GLY 77 HA1 GLY 77 -18.432 4.157 -2.612 538 H MET 78 HN MET 78 -15.451 3.835 -1.709 539 HA MET 78 HA MET 78 -14.628 2.628 -4.251 540 HB2 MET 78 HB2 MET 78 -13.112 4.417 -2.331 541 HB3 MET 78 HB1 MET 78 -12.428 3.728 -3.798 542 HG2 MET 78 HG2 MET 78 -14.760 5.637 -3.669 543 HG3 MET 78 HG1 MET 78 -13.109 6.044 -4.138 544 HE1 MET 78 HE1 MET 78 -13.995 7.129 -6.390 545 HE2 MET 78 HE2 MET 78 -15.646 6.740 -5.907 546 HE3 MET 78 HE3 MET 78 -15.071 6.299 -7.515 547 H LEU 79 HN LEU 79 -14.033 2.425 -0.767 548 HA LEU 79 HA LEU 79 -12.684 -0.150 -1.262 549 HB2 LEU 79 HB2 LEU 79 -11.390 1.733 -0.118 550 HB3 LEU 79 HB1 LEU 79 -12.499 1.545 1.228 551 HG LEU 79 HG LEU 79 -11.724 -0.802 1.493 552 HD11 LEU 79 HD11 LEU 79 -9.651 -1.478 0.378 553 HD12 LEU 79 HD12 LEU 79 -9.701 -0.010 -0.595 554 HD13 LEU 79 HD13 LEU 79 -10.961 -1.229 -0.772 555 HD21 LEU 79 HD21 LEU 79 -10.776 0.878 2.894 556 HD22 LEU 79 HD22 LEU 79 -9.673 1.397 1.619 557 HD23 LEU 79 HD23 LEU 79 -9.471 -0.187 2.369 558 H PHE 80 HN PHE 80 -13.485 -1.947 -0.235 559 HA PHE 80 HA PHE 80 -15.608 -1.681 1.733 560 HB2 PHE 80 HB2 PHE 80 -17.116 -3.185 0.403 561 HB3 PHE 80 HB1 PHE 80 -16.888 -1.599 -0.319 562 HD1 PHE 80 HD1 PHE 80 -15.759 -1.347 -2.438 563 HD2 PHE 80 HD2 PHE 80 -16.107 -5.182 -0.610 564 HE1 PHE 80 HE1 PHE 80 -15.080 -2.416 -4.544 565 HE2 PHE 80 HE2 PHE 80 -15.433 -6.243 -2.718 566 HZ PHE 80 HZ PHE 80 -14.907 -4.854 -4.688 567 H ILE 81 HN ILE 81 -16.248 -3.882 2.561 568 HA ILE 81 HA ILE 81 -13.858 -5.465 2.920 569 HB ILE 81 HB ILE 81 -16.610 -5.644 4.120 570 HG12 ILE 81 HG12 ILE 81 -15.056 -3.885 4.939 571 HG13 ILE 81 HG11 ILE 81 -15.481 -5.059 6.178 572 HG21 ILE 81 HG21 ILE 81 -14.285 -7.507 4.538 573 HG22 ILE 81 HG22 ILE 81 -15.861 -7.914 3.856 574 HG23 ILE 81 HG23 ILE 81 -15.726 -7.452 5.553 575 HD11 ILE 81 HD11 ILE 81 -13.145 -4.528 6.317 576 HD12 ILE 81 HD12 ILE 81 -12.909 -4.946 4.625 577 HD13 ILE 81 HD13 ILE 81 -13.337 -6.200 5.789 578 H SER 82 HN SER 82 -13.332 -7.178 1.803 579 HA SER 82 HA SER 82 -15.062 -8.246 -0.217 580 HB2 SER 82 HB2 SER 82 -12.672 -8.091 -0.648 581 HB3 SER 82 HB1 SER 82 -12.325 -9.102 0.754 582 HG SER 82 HG SER 82 -13.394 -9.805 -1.747 583 H LYS 83 HN LYS 83 -16.392 -9.934 -0.037 584 HA LYS 83 HA LYS 83 -16.789 -11.146 2.521 585 HB2 LYS 83 HB2 LYS 83 -18.015 -11.818 -0.154 586 HB3 LYS 83 HB1 LYS 83 -18.557 -12.435 1.401 587 HG2 LYS 83 HG2 LYS 83 -18.942 -10.039 2.082 588 HG3 LYS 83 HG1 LYS 83 -18.677 -9.609 0.395 589 HD2 LYS 83 HD2 LYS 83 -21.046 -9.821 0.826 590 HD3 LYS 83 HD1 LYS 83 -20.518 -11.115 -0.249 591 HE2 LYS 83 HE2 LYS 83 -22.073 -11.875 1.525 592 HE3 LYS 83 HE1 LYS 83 -20.515 -12.695 1.560 593 HZ1 LYS 83 HZ1 LYS 83 -19.829 -11.296 3.382 594 HZ2 LYS 83 HZ2 LYS 83 -21.295 -12.041 3.775 595 HZ3 LYS 83 HZ3 LYS 83 -21.272 -10.416 3.310 596 H LEU 84 HN LEU 84 -14.551 -11.714 0.196 597 HA LEU 84 HA LEU 84 -14.534 -14.593 0.292 598 HB2 LEU 84 HB2 LEU 84 -12.453 -12.688 -0.763 599 HB3 LEU 84 HB1 LEU 84 -12.532 -14.411 -1.078 600 HG LEU 84 HG LEU 84 -14.541 -12.355 -2.008 601 HD11 LEU 84 HD11 LEU 84 -12.434 -12.176 -3.195 602 HD12 LEU 84 HD12 LEU 84 -13.674 -12.866 -4.242 603 HD13 LEU 84 HD13 LEU 84 -12.449 -13.909 -3.521 604 HD21 LEU 84 HD21 LEU 84 -14.377 -15.320 -2.535 605 HD22 LEU 84 HD22 LEU 84 -15.492 -14.199 -3.315 606 HD23 LEU 84 HD23 LEU 84 -15.609 -14.495 -1.582 607 H ASP 85 HN ASP 85 -12.331 -12.019 1.403 608 HA ASP 85 HA ASP 85 -11.184 -13.967 3.299 609 HB2 ASP 85 HB2 ASP 85 -9.812 -11.636 1.945 610 HB3 ASP 85 HB1 ASP 85 -9.078 -12.660 3.172 611 H GLY 86 HN GLY 86 -13.138 -11.338 3.203 612 HA2 GLY 86 HA2 GLY 86 -13.840 -9.849 4.811 613 HA3 GLY 86 HA1 GLY 86 -12.794 -10.679 5.954 614 H ARG 87 HN ARG 87 -11.329 -9.624 3.092 615 HA ARG 87 HA ARG 87 -9.772 -7.659 4.572 616 HB2 ARG 87 HB2 ARG 87 -9.411 -9.065 1.936 617 HB3 ARG 87 HB1 ARG 87 -8.404 -7.704 2.402 618 HG2 ARG 87 HG2 ARG 87 -7.649 -8.930 4.373 619 HG3 ARG 87 HG1 ARG 87 -8.663 -10.299 3.903 620 HD2 ARG 87 HD2 ARG 87 -7.405 -10.602 1.883 621 HD3 ARG 87 HD1 ARG 87 -6.479 -9.134 2.189 622 HE ARG 87 HE ARG 87 -5.932 -10.628 4.360 623 HH11 ARG 87 HH11 ARG 87 -5.899 -11.392 0.945 624 HH12 ARG 87 HH12 ARG 87 -4.552 -12.480 1.064 625 HH21 ARG 87 HH21 ARG 87 -4.149 -12.063 4.526 626 HH22 ARG 87 HH22 ARG 87 -3.555 -12.853 3.099 627 H LEU 88 HN LEU 88 -9.445 -5.548 3.823 628 HA LEU 88 HA LEU 88 -11.659 -4.332 2.509 629 HB2 LEU 88 HB2 LEU 88 -8.930 -3.306 3.273 630 HB3 LEU 88 HB1 LEU 88 -10.138 -2.309 2.494 631 HG LEU 88 HG LEU 88 -10.672 -3.703 5.098 632 HD11 LEU 88 HD11 LEU 88 -9.616 -0.908 4.690 633 HD12 LEU 88 HD12 LEU 88 -8.697 -2.263 5.346 634 HD13 LEU 88 HD13 LEU 88 -10.089 -1.632 6.226 635 HD21 LEU 88 HD21 LEU 88 -12.360 -1.922 5.314 636 HD22 LEU 88 HD22 LEU 88 -12.630 -2.928 3.892 637 HD23 LEU 88 HD23 LEU 88 -11.913 -1.327 3.716 638 H SER 89 HN SER 89 -12.038 -4.304 0.420 639 HA SER 89 HA SER 89 -9.764 -4.518 -1.438 640 HB2 SER 89 HB2 SER 89 -11.121 -6.612 -1.305 641 HB3 SER 89 HB1 SER 89 -12.531 -5.692 -1.833 642 HG SER 89 HG SER 89 -10.374 -6.621 -3.276 643 H CYS 90 HN CYS 90 -9.724 -3.088 -3.084 644 HA CYS 90 HA CYS 90 -11.639 -0.915 -2.996 645 HB2 CYS 90 HB2 CYS 90 -10.080 0.287 -4.406 646 HB3 CYS 90 HB1 CYS 90 -9.172 -0.495 -3.112 647 H THR 91 HN THR 91 -12.548 -0.030 -4.995 648 HA THR 91 HA THR 91 -13.873 -2.036 -6.518 649 HB THR 91 HB THR 91 -14.734 0.005 -7.803 650 HG1 THR 91 HG1 THR 91 -14.364 1.946 -6.310 651 HG21 THR 91 HG21 THR 91 -16.002 -1.079 -6.020 652 HG22 THR 91 HG22 THR 91 -16.206 0.671 -5.960 653 HG23 THR 91 HG23 THR 91 -15.133 -0.130 -4.815 654 H GLU 92 HN GLU 92 -10.809 -0.919 -6.817 655 HA GLU 92 HA GLU 92 -10.708 -0.747 -9.699 656 HB2 GLU 92 HB2 GLU 92 -8.546 -0.709 -7.589 657 HB3 GLU 92 HB1 GLU 92 -8.242 -0.550 -9.313 658 HG2 GLU 92 HG2 GLU 92 -9.958 1.315 -7.691 659 HG3 GLU 92 HG1 GLU 92 -8.278 1.611 -8.133 660 H HIS 93 HN HIS 93 -11.014 -3.230 -7.598 661 HA HIS 93 HA HIS 93 -9.390 -5.078 -9.196 662 HB2 HIS 93 HB2 HIS 93 -10.806 -5.541 -6.560 663 HB3 HIS 93 HB1 HIS 93 -9.829 -6.730 -7.413 664 HD1 HIS 93 HD1 HIS 93 -7.572 -4.431 -8.103 665 HD2 HIS 93 HD2 HIS 93 -9.075 -5.595 -4.410 666 HE1 HIS 93 HE1 HIS 93 -5.839 -3.770 -6.386 667 H ASP 94 HN ASP 94 -11.273 -4.242 -10.684 668 HA ASP 94 HA ASP 94 -13.687 -5.839 -10.420 669 HB2 ASP 94 HB2 ASP 94 -13.825 -3.463 -11.110 670 HB3 ASP 94 HB1 ASP 94 -12.878 -3.844 -12.541 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 9.319 -12.342 5.871 2 H2 GLY 1 HT2 GLY 1 9.546 -13.635 6.941 3 H3 GLY 1 HT3 GLY 1 10.171 -12.109 7.316 4 HA2 GLY 1 HA1 GLY 1 7.292 -12.779 7.085 5 HA3 GLY 1 HA2 GLY 1 8.166 -12.573 8.596 6 H ALA 2 HN ALA 2 6.046 -11.021 8.352 7 HA ALA 2 HA ALA 2 7.061 -8.414 7.434 8 HB1 ALA 2 HB1 ALA 2 4.197 -9.302 7.750 9 HB2 ALA 2 HB2 ALA 2 5.075 -9.148 6.227 10 HB3 ALA 2 HB3 ALA 2 4.735 -7.717 7.197 11 H MET 3 HN MET 3 8.169 -8.610 9.635 12 HA MET 3 HA MET 3 6.441 -7.846 11.853 13 HB2 MET 3 HB2 MET 3 8.264 -9.400 12.323 14 HB3 MET 3 HB1 MET 3 9.436 -8.257 11.689 15 HG2 MET 3 HG2 MET 3 8.891 -6.704 13.507 16 HG3 MET 3 HG1 MET 3 7.748 -7.884 14.153 17 HE1 MET 3 HE1 MET 3 9.009 -7.701 16.508 18 HE2 MET 3 HE2 MET 3 10.161 -6.557 15.816 19 HE3 MET 3 HE3 MET 3 10.741 -7.965 16.706 20 H GLU 4 HN GLU 4 9.505 -6.526 10.590 21 HA GLU 4 HA GLU 4 8.406 -3.827 10.964 22 HB2 GLU 4 HB2 GLU 4 10.588 -4.320 12.064 23 HB3 GLU 4 HB1 GLU 4 11.276 -4.657 10.483 24 HG2 GLU 4 HG2 GLU 4 10.630 -2.307 9.839 25 HG3 GLU 4 HG1 GLU 4 10.285 -2.034 11.544 26 H ARG 5 HN ARG 5 10.048 -5.930 8.680 27 HA ARG 5 HA ARG 5 9.026 -4.313 6.462 28 HB2 ARG 5 HB2 ARG 5 11.801 -5.510 6.564 29 HB3 ARG 5 HB1 ARG 5 11.142 -4.481 5.300 30 HG2 ARG 5 HG2 ARG 5 11.073 -2.602 6.828 31 HG3 ARG 5 HG1 ARG 5 11.646 -3.628 8.145 32 HD2 ARG 5 HD2 ARG 5 13.731 -4.019 6.913 33 HD3 ARG 5 HD1 ARG 5 13.154 -2.971 5.619 34 HE ARG 5 HE ARG 5 13.349 -1.863 8.323 35 HH11 ARG 5 HH11 ARG 5 14.666 -2.090 5.081 36 HH12 ARG 5 HH12 ARG 5 15.575 -0.618 5.207 37 HH21 ARG 5 HH21 ARG 5 14.549 0.075 8.488 38 HH22 ARG 5 HH22 ARG 5 15.512 0.609 7.148 39 H GLU 6 HN GLU 6 7.975 -5.570 5.016 40 HA GLU 6 HA GLU 6 7.836 -8.392 5.368 41 HB2 GLU 6 HB2 GLU 6 5.990 -6.879 4.501 42 HB3 GLU 6 HB1 GLU 6 6.866 -6.811 2.979 43 HG2 GLU 6 HG2 GLU 6 6.493 -9.080 2.535 44 HG3 GLU 6 HG1 GLU 6 6.030 -9.415 4.201 45 H ASP 7 HN ASP 7 8.428 -10.008 3.753 46 HA ASP 7 HA ASP 7 11.010 -9.316 2.552 47 HB2 ASP 7 HB2 ASP 7 11.454 -11.743 2.559 48 HB3 ASP 7 HB1 ASP 7 11.070 -11.140 4.168 49 H GLU 8 HN GLU 8 8.350 -8.826 1.339 50 HA GLU 8 HA GLU 8 8.897 -9.927 -1.271 51 HB2 GLU 8 HB2 GLU 8 7.611 -11.725 -0.243 52 HB3 GLU 8 HB1 GLU 8 6.369 -10.586 0.253 53 HG2 GLU 8 HG2 GLU 8 5.822 -10.158 -2.081 54 HG3 GLU 8 HG1 GLU 8 7.075 -11.293 -2.585 55 H CYS 9 HN CYS 9 7.762 -8.787 -2.932 56 HA CYS 9 HA CYS 9 6.982 -6.120 -2.130 57 HB2 CYS 9 HB2 CYS 9 8.322 -6.385 -4.150 58 HB3 CYS 9 HB1 CYS 9 7.100 -7.456 -4.837 59 H PHE 10 HN PHE 10 4.982 -5.611 -1.630 60 HA PHE 10 HA PHE 10 2.889 -7.499 -1.738 61 HB2 PHE 10 HB2 PHE 10 2.997 -5.816 0.014 62 HB3 PHE 10 HB1 PHE 10 2.852 -4.523 -1.170 63 HD1 PHE 10 HD1 PHE 10 0.785 -3.565 -1.472 64 HD2 PHE 10 HD2 PHE 10 1.023 -7.568 -0.042 65 HE1 PHE 10 HE1 PHE 10 -1.658 -3.615 -1.210 66 HE2 PHE 10 HE2 PHE 10 -1.419 -7.621 0.217 67 HZ PHE 10 HZ PHE 10 -2.757 -5.613 -0.355 68 H SER 11 HN SER 11 3.929 -5.026 -3.936 69 HA SER 11 HA SER 11 1.479 -4.895 -5.414 70 HB2 SER 11 HB2 SER 11 4.257 -4.013 -6.221 71 HB3 SER 11 HB1 SER 11 2.751 -3.562 -7.020 72 HG SER 11 HG SER 11 2.854 -1.938 -5.686 73 H CYS 12 HN CYS 12 4.529 -6.673 -5.762 74 HA CYS 12 HA CYS 12 3.585 -7.674 -8.356 75 HB2 CYS 12 HB2 CYS 12 6.358 -7.823 -7.161 76 HB3 CYS 12 HB1 CYS 12 5.902 -8.313 -8.792 77 H GLY 13 HN GLY 13 4.317 -8.726 -5.124 78 HA2 GLY 13 HA2 GLY 13 3.874 -10.799 -4.165 79 HA3 GLY 13 HA1 GLY 13 3.438 -11.413 -5.757 80 H ASP 14 HN ASP 14 6.347 -9.790 -5.881 81 HA ASP 14 HA ASP 14 7.866 -12.286 -5.576 82 HB2 ASP 14 HB2 ASP 14 7.926 -10.243 -7.766 83 HB3 ASP 14 HB1 ASP 14 9.377 -11.168 -7.395 84 H ALA 15 HN ALA 15 10.092 -12.046 -5.033 85 HA ALA 15 HA ALA 15 10.592 -9.643 -3.434 86 HB1 ALA 15 HB1 ALA 15 10.637 -11.738 -2.197 87 HB2 ALA 15 HB2 ALA 15 12.228 -10.977 -2.219 88 HB3 ALA 15 HB3 ALA 15 11.893 -12.354 -3.271 89 H GLY 16 HN GLY 16 12.814 -8.846 -3.389 90 HA2 GLY 16 HA2 GLY 16 14.802 -9.390 -5.224 91 HA3 GLY 16 HA1 GLY 16 13.688 -8.289 -6.032 92 H GLN 17 HN GLN 17 14.836 -6.389 -6.049 93 HA GLN 17 HA GLN 17 16.138 -5.463 -3.642 94 HB2 GLN 17 HB2 GLN 17 17.077 -4.886 -5.845 95 HB3 GLN 17 HB1 GLN 17 15.610 -3.991 -6.231 96 HG2 GLN 17 HG2 GLN 17 16.048 -2.469 -4.381 97 HG3 GLN 17 HG1 GLN 17 17.509 -3.366 -3.982 98 HE21 GLN 17 HE21 GLN 17 18.786 -1.556 -4.260 99 HE22 GLN 17 HE22 GLN 17 19.154 -0.920 -5.825 100 H LEU 18 HN LEU 18 14.548 -5.329 -2.129 101 HA LEU 18 HA LEU 18 12.136 -3.820 -2.750 102 HB2 LEU 18 HB2 LEU 18 12.873 -5.448 -0.319 103 HB3 LEU 18 HB1 LEU 18 11.326 -4.661 -0.577 104 HG LEU 18 HG LEU 18 12.390 -6.758 -2.451 105 HD11 LEU 18 HD11 LEU 18 10.920 -8.342 -1.310 106 HD12 LEU 18 HD12 LEU 18 10.559 -7.122 -0.093 107 HD13 LEU 18 HD13 LEU 18 12.195 -7.756 -0.243 108 HD21 LEU 18 HD21 LEU 18 9.638 -5.652 -1.961 109 HD22 LEU 18 HD22 LEU 18 10.050 -6.924 -3.108 110 HD23 LEU 18 HD23 LEU 18 10.669 -5.289 -3.342 111 H VAL 19 HN VAL 19 11.769 -1.842 -2.072 112 HA VAL 19 HA VAL 19 13.613 -0.622 -0.144 113 HB VAL 19 HB VAL 19 13.508 0.614 -2.229 114 HG11 VAL 19 HG11 VAL 19 10.527 0.747 -1.800 115 HG12 VAL 19 HG12 VAL 19 11.373 -0.106 -3.092 116 HG13 VAL 19 HG13 VAL 19 11.418 1.654 -3.023 117 HG21 VAL 19 HG21 VAL 19 11.973 2.043 -0.065 118 HG22 VAL 19 HG22 VAL 19 12.814 2.812 -1.411 119 HG23 VAL 19 HG23 VAL 19 13.729 1.924 -0.194 120 H SER 20 HN SER 20 12.876 0.012 1.807 121 HA SER 20 HA SER 20 10.154 -0.893 2.390 122 HB2 SER 20 HB2 SER 20 12.011 -2.093 3.492 123 HB3 SER 20 HB1 SER 20 12.503 -0.586 4.264 124 HG SER 20 HG SER 20 10.773 -0.652 5.550 125 H CYS 21 HN CYS 21 8.862 0.186 3.839 126 HA CYS 21 HA CYS 21 8.914 3.035 3.670 127 HB2 CYS 21 HB2 CYS 21 6.876 1.461 3.815 128 HB3 CYS 21 HB1 CYS 21 7.226 1.366 5.540 129 H LYS 22 HN LYS 22 9.785 4.463 5.139 130 HA LYS 22 HA LYS 22 11.189 3.262 7.399 131 HB2 LYS 22 HB2 LYS 22 12.282 4.876 5.738 132 HB3 LYS 22 HB1 LYS 22 11.364 6.145 6.537 133 HG2 LYS 22 HG2 LYS 22 12.490 5.802 8.586 134 HG3 LYS 22 HG1 LYS 22 13.198 4.290 8.026 135 HD2 LYS 22 HD2 LYS 22 13.812 7.024 6.912 136 HD3 LYS 22 HD1 LYS 22 14.825 6.133 8.047 137 HE2 LYS 22 HE2 LYS 22 14.120 5.321 5.227 138 HE3 LYS 22 HE1 LYS 22 15.689 5.876 5.804 139 HZ1 LYS 22 HZ1 LYS 22 15.718 3.508 5.626 140 HZ2 LYS 22 HZ2 LYS 22 14.313 3.353 6.548 141 HZ3 LYS 22 HZ3 LYS 22 15.737 3.901 7.273 142 H LYS 23 HN LYS 23 8.428 3.343 7.530 143 HA LYS 23 HA LYS 23 7.980 5.238 9.735 144 HB2 LYS 23 HB2 LYS 23 6.075 4.092 7.694 145 HB3 LYS 23 HB1 LYS 23 5.502 4.772 9.208 146 HG2 LYS 23 HG2 LYS 23 7.183 6.292 7.227 147 HG3 LYS 23 HG1 LYS 23 5.419 6.318 7.252 148 HD2 LYS 23 HD2 LYS 23 5.471 7.182 9.552 149 HD3 LYS 23 HD1 LYS 23 7.237 7.164 9.510 150 HE2 LYS 23 HE2 LYS 23 7.269 8.817 7.770 151 HE3 LYS 23 HE1 LYS 23 5.516 8.742 7.603 152 HZ1 LYS 23 HZ1 LYS 23 6.172 10.673 8.865 153 HZ2 LYS 23 HZ2 LYS 23 6.997 9.710 9.984 154 HZ3 LYS 23 HZ3 LYS 23 5.316 9.603 9.857 155 HA PRO 24 HA PRO 24 8.214 1.353 12.077 156 HB2 PRO 24 HB2 PRO 24 7.294 3.292 14.148 157 HB3 PRO 24 HB1 PRO 24 8.582 2.086 14.235 158 HG2 PRO 24 HG2 PRO 24 9.178 4.654 13.943 159 HG3 PRO 24 HG1 PRO 24 10.085 3.409 13.060 160 HD2 PRO 24 HD2 PRO 24 7.965 5.277 12.068 161 HD3 PRO 24 HD1 PRO 24 9.428 4.693 11.247 162 H GLY 25 HN GLY 25 6.610 -0.095 12.251 163 HA2 GLY 25 HA2 GLY 25 4.437 -0.765 13.036 164 HA3 GLY 25 HA1 GLY 25 3.873 0.881 12.750 165 H CYS 26 HN CYS 26 5.475 0.757 10.144 166 HA CYS 26 HA CYS 26 3.390 -0.559 8.557 167 HB2 CYS 26 HB2 CYS 26 4.061 1.852 8.156 168 HB3 CYS 26 HB1 CYS 26 5.630 1.252 7.625 169 HA PRO 27 HA PRO 27 6.682 -3.605 8.006 170 HB2 PRO 27 HB2 PRO 27 5.162 -5.779 8.071 171 HB3 PRO 27 HB1 PRO 27 5.362 -4.803 9.535 172 HG2 PRO 27 HG2 PRO 27 3.052 -4.950 7.647 173 HG3 PRO 27 HG1 PRO 27 3.050 -4.762 9.415 174 HD2 PRO 27 HD2 PRO 27 2.813 -2.691 7.494 175 HD3 PRO 27 HD1 PRO 27 3.092 -2.496 9.240 176 H LYS 28 HN LYS 28 5.323 -2.125 5.749 177 HA LYS 28 HA LYS 28 5.058 -4.324 3.817 178 HB2 LYS 28 HB2 LYS 28 3.410 -2.091 4.316 179 HB3 LYS 28 HB1 LYS 28 4.175 -1.796 2.756 180 HG2 LYS 28 HG2 LYS 28 2.007 -2.962 2.557 181 HG3 LYS 28 HG1 LYS 28 3.353 -3.893 1.894 182 HD2 LYS 28 HD2 LYS 28 3.433 -5.261 3.906 183 HD3 LYS 28 HD1 LYS 28 2.161 -4.286 4.642 184 HE2 LYS 28 HE2 LYS 28 0.569 -5.027 3.018 185 HE3 LYS 28 HE1 LYS 28 1.824 -5.845 2.087 186 HZ1 LYS 28 HZ1 LYS 28 0.978 -6.566 4.839 187 HZ2 LYS 28 HZ2 LYS 28 2.157 -7.369 3.926 188 HZ3 LYS 28 HZ3 LYS 28 0.536 -7.391 3.432 189 H VAL 29 HN VAL 29 6.076 -4.245 1.823 190 HA VAL 29 HA VAL 29 8.171 -2.233 1.463 191 HB VAL 29 HB VAL 29 8.960 -4.346 2.738 192 HG11 VAL 29 HG11 VAL 29 9.630 -6.219 1.372 193 HG12 VAL 29 HG12 VAL 29 8.919 -5.455 -0.049 194 HG13 VAL 29 HG13 VAL 29 7.885 -5.976 1.277 195 HG21 VAL 29 HG21 VAL 29 11.118 -4.354 1.461 196 HG22 VAL 29 HG22 VAL 29 10.551 -2.785 2.023 197 HG23 VAL 29 HG23 VAL 29 10.352 -3.236 0.331 198 H TYR 30 HN TYR 30 9.032 -2.237 -0.746 199 HA TYR 30 HA TYR 30 7.459 -3.642 -2.768 200 HB2 TYR 30 HB2 TYR 30 7.548 -0.612 -2.610 201 HB3 TYR 30 HB1 TYR 30 6.836 -1.547 -3.919 202 HD1 TYR 30 HD1 TYR 30 4.762 -2.904 -3.454 203 HD2 TYR 30 HD2 TYR 30 6.325 -0.113 -0.651 204 HE1 TYR 30 HE1 TYR 30 2.604 -2.882 -2.279 205 HE2 TYR 30 HE2 TYR 30 4.174 -0.086 0.529 206 HH TYR 30 HH TYR 30 1.743 -2.356 -0.001 207 H HIS 31 HN HIS 31 8.332 -3.138 -4.983 208 HA HIS 31 HA HIS 31 11.201 -2.621 -4.931 209 HB2 HIS 31 HB2 HIS 31 9.445 -3.085 -7.358 210 HB3 HIS 31 HB1 HIS 31 11.205 -3.137 -7.302 211 HD2 HIS 31 HD2 HIS 31 12.009 -5.319 -5.354 212 HE1 HIS 31 HE1 HIS 31 8.833 -7.667 -6.886 213 HE2 HIS 31 HE2 HIS 31 11.128 -7.722 -5.802 214 H ALA 32 HN ALA 32 12.143 -0.811 -5.871 215 HA ALA 32 HA ALA 32 10.601 1.558 -5.858 216 HB1 ALA 32 HB1 ALA 32 12.647 2.666 -6.596 217 HB2 ALA 32 HB2 ALA 32 13.379 1.093 -6.915 218 HB3 ALA 32 HB3 ALA 32 12.956 1.552 -5.265 219 H ASP 33 HN ASP 33 11.610 -0.655 -8.367 220 HA ASP 33 HA ASP 33 11.105 1.059 -10.561 221 HB2 ASP 33 HB2 ASP 33 11.205 -0.963 -11.952 222 HB3 ASP 33 HB1 ASP 33 12.540 -0.893 -10.808 223 H CYS 34 HN CYS 34 9.037 -1.364 -8.944 224 HA CYS 34 HA CYS 34 6.893 -0.979 -10.806 225 HB2 CYS 34 HB2 CYS 34 5.544 -2.201 -8.971 226 HB3 CYS 34 HB1 CYS 34 6.857 -3.088 -9.741 227 H LEU 35 HN LEU 35 7.999 0.676 -8.037 228 HA LEU 35 HA LEU 35 5.548 2.185 -7.689 229 HB2 LEU 35 HB2 LEU 35 8.302 2.499 -6.505 230 HB3 LEU 35 HB1 LEU 35 6.932 3.506 -6.088 231 HG LEU 35 HG LEU 35 6.995 0.523 -5.658 232 HD11 LEU 35 HD11 LEU 35 8.704 1.399 -4.286 233 HD12 LEU 35 HD12 LEU 35 7.290 1.217 -3.247 234 HD13 LEU 35 HD13 LEU 35 7.736 2.807 -3.860 235 HD21 LEU 35 HD21 LEU 35 5.128 1.012 -4.129 236 HD22 LEU 35 HD22 LEU 35 4.755 1.448 -5.796 237 HD23 LEU 35 HD23 LEU 35 5.181 2.701 -4.631 238 H ASN 36 HN ASN 36 7.903 2.131 -9.933 239 HA ASN 36 HA ASN 36 8.646 3.491 -11.566 240 HB2 ASN 36 HB2 ASN 36 6.191 5.028 -10.745 241 HB3 ASN 36 HB1 ASN 36 7.217 5.534 -12.082 242 HD21 ASN 36 HD21 ASN 36 4.914 3.208 -10.958 243 HD22 ASN 36 HD22 ASN 36 4.656 2.420 -12.476 244 H LEU 37 HN LEU 37 9.720 3.774 -8.918 245 HA LEU 37 HA LEU 37 10.307 6.594 -8.618 246 HB2 LEU 37 HB2 LEU 37 11.235 4.155 -7.113 247 HB3 LEU 37 HB1 LEU 37 11.750 5.785 -6.730 248 HG LEU 37 HG LEU 37 8.892 4.808 -6.622 249 HD11 LEU 37 HD11 LEU 37 10.351 3.784 -4.907 250 HD12 LEU 37 HD12 LEU 37 9.124 4.852 -4.226 251 HD13 LEU 37 HD13 LEU 37 10.791 5.402 -4.362 252 HD21 LEU 37 HD21 LEU 37 8.479 6.922 -5.450 253 HD22 LEU 37 HD22 LEU 37 9.047 7.186 -7.097 254 HD23 LEU 37 HD23 LEU 37 10.151 7.401 -5.738 255 H THR 38 HN THR 38 11.356 6.941 -10.644 256 HA THR 38 HA THR 38 13.706 5.589 -11.434 257 HB THR 38 HB THR 38 12.975 8.461 -12.045 258 HG1 THR 38 HG1 THR 38 12.146 6.040 -13.318 259 HG21 THR 38 HG21 THR 38 14.199 8.063 -14.127 260 HG22 THR 38 HG22 THR 38 14.579 6.427 -13.592 261 HG23 THR 38 HG23 THR 38 15.233 7.812 -12.721 262 H LYS 39 HN LYS 39 13.097 8.458 -9.482 263 HA LYS 39 HA LYS 39 15.911 8.639 -8.740 264 HB2 LYS 39 HB2 LYS 39 14.790 10.731 -9.236 265 HB3 LYS 39 HB1 LYS 39 13.518 10.365 -8.080 266 HG2 LYS 39 HG2 LYS 39 15.244 10.419 -6.278 267 HG3 LYS 39 HG1 LYS 39 16.403 10.983 -7.485 268 HD2 LYS 39 HD2 LYS 39 15.035 12.942 -7.919 269 HD3 LYS 39 HD1 LYS 39 13.810 12.363 -6.792 270 HE2 LYS 39 HE2 LYS 39 15.514 12.469 -4.983 271 HE3 LYS 39 HE1 LYS 39 16.630 13.202 -6.134 272 HZ1 LYS 39 HZ1 LYS 39 15.575 14.910 -4.858 273 HZ2 LYS 39 HZ2 LYS 39 14.034 14.320 -5.228 274 HZ3 LYS 39 HZ3 LYS 39 14.991 14.997 -6.442 275 H ARG 40 HN ARG 40 16.547 7.341 -7.136 276 HA ARG 40 HA ARG 40 14.779 6.057 -5.347 277 HB2 ARG 40 HB2 ARG 40 16.953 5.099 -5.939 278 HB3 ARG 40 HB1 ARG 40 17.771 6.445 -5.158 279 HG2 ARG 40 HG2 ARG 40 16.790 5.752 -3.002 280 HG3 ARG 40 HG1 ARG 40 16.068 4.358 -3.812 281 HD2 ARG 40 HD2 ARG 40 18.279 3.554 -4.432 282 HD3 ARG 40 HD1 ARG 40 19.018 4.966 -3.681 283 HE ARG 40 HE ARG 40 17.379 3.406 -1.894 284 HH11 ARG 40 HH11 ARG 40 20.582 3.844 -3.242 285 HH12 ARG 40 HH12 ARG 40 21.381 3.008 -1.947 286 HH21 ARG 40 HH21 ARG 40 18.428 2.302 -0.189 287 HH22 ARG 40 HH22 ARG 40 20.157 2.147 -0.205 288 HA PRO 41 HA PRO 41 14.221 9.581 -2.651 289 HB2 PRO 41 HB2 PRO 41 12.715 8.290 -0.780 290 HB3 PRO 41 HB1 PRO 41 12.064 8.886 -2.309 291 HG2 PRO 41 HG2 PRO 41 12.928 6.120 -1.561 292 HG3 PRO 41 HG1 PRO 41 11.497 6.639 -2.477 293 HD2 PRO 41 HD2 PRO 41 13.700 5.664 -3.698 294 HD3 PRO 41 HD1 PRO 41 12.705 6.935 -4.440 295 H ALA 42 HN ALA 42 15.490 10.323 -1.081 296 HA ALA 42 HA ALA 42 16.988 8.378 0.539 297 HB1 ALA 42 HB1 ALA 42 18.673 10.137 0.811 298 HB2 ALA 42 HB2 ALA 42 17.690 11.227 -0.166 299 HB3 ALA 42 HB3 ALA 42 18.386 9.778 -0.890 300 H GLY 43 HN GLY 43 16.950 8.525 2.757 301 HA2 GLY 43 HA2 GLY 43 16.651 9.667 4.817 302 HA3 GLY 43 HA1 GLY 43 15.684 10.872 3.977 303 H LYS 44 HN LYS 44 13.802 10.806 5.074 304 HA LYS 44 HA LYS 44 12.616 8.271 5.803 305 HB2 LYS 44 HB2 LYS 44 11.535 11.086 6.028 306 HB3 LYS 44 HB1 LYS 44 10.791 9.650 6.716 307 HG2 LYS 44 HG2 LYS 44 12.699 9.327 8.174 308 HG3 LYS 44 HG1 LYS 44 13.506 10.723 7.452 309 HD2 LYS 44 HD2 LYS 44 11.712 12.178 8.242 310 HD3 LYS 44 HD1 LYS 44 10.878 10.788 8.938 311 HE2 LYS 44 HE2 LYS 44 13.599 11.818 9.739 312 HE3 LYS 44 HE1 LYS 44 12.102 12.029 10.645 313 HZ1 LYS 44 HZ1 LYS 44 11.963 9.642 10.928 314 HZ2 LYS 44 HZ2 LYS 44 13.440 10.216 11.519 315 HZ3 LYS 44 HZ3 LYS 44 13.379 9.422 10.030 316 H TRP 45 HN TRP 45 11.804 7.129 4.165 317 HA TRP 45 HA TRP 45 10.156 8.527 2.201 318 HB2 TRP 45 HB2 TRP 45 11.877 7.173 1.167 319 HB3 TRP 45 HB1 TRP 45 11.387 5.768 2.112 320 HD1 TRP 45 HD1 TRP 45 9.864 8.111 -0.584 321 HE1 TRP 45 HE1 TRP 45 8.261 6.720 -2.033 322 HE3 TRP 45 HE3 TRP 45 10.212 3.649 1.883 323 HZ2 TRP 45 HZ2 TRP 45 7.279 4.082 -2.123 324 HZ3 TRP 45 HZ3 TRP 45 8.906 1.735 1.046 325 HH2 TRP 45 HH2 TRP 45 7.469 1.948 -0.913 326 H GLU 46 HN GLU 46 8.050 8.346 2.254 327 HA GLU 46 HA GLU 46 6.840 6.369 4.056 328 HB2 GLU 46 HB2 GLU 46 5.622 8.874 2.872 329 HB3 GLU 46 HB1 GLU 46 4.915 7.851 4.116 330 HG2 GLU 46 HG2 GLU 46 6.641 8.471 5.672 331 HG3 GLU 46 HG1 GLU 46 7.477 9.395 4.426 332 H CYS 47 HN CYS 47 5.737 4.718 3.156 333 HA CYS 47 HA CYS 47 5.675 4.351 0.364 334 HB2 CYS 47 HB2 CYS 47 4.504 2.312 0.779 335 HB3 CYS 47 HB1 CYS 47 5.626 2.518 2.117 336 HA PRO 48 HA PRO 48 2.082 6.646 -0.838 337 HB2 PRO 48 HB2 PRO 48 1.309 5.164 -3.012 338 HB3 PRO 48 HB1 PRO 48 2.649 6.320 -3.036 339 HG2 PRO 48 HG2 PRO 48 2.713 3.344 -2.738 340 HG3 PRO 48 HG1 PRO 48 3.774 4.397 -3.693 341 HD2 PRO 48 HD2 PRO 48 4.524 3.394 -1.307 342 HD3 PRO 48 HD1 PRO 48 5.036 5.009 -1.843 343 H TRP 49 HN TRP 49 2.027 3.581 0.414 344 HA TRP 49 HA TRP 49 -0.760 2.954 0.162 345 HB2 TRP 49 HB2 TRP 49 1.318 1.418 0.683 346 HB3 TRP 49 HB1 TRP 49 1.021 1.910 2.350 347 HD1 TRP 49 HD1 TRP 49 -1.676 0.937 -0.265 348 HE1 TRP 49 HE1 TRP 49 -2.952 -1.115 0.640 349 HE3 TRP 49 HE3 TRP 49 1.032 0.107 4.002 350 HZ2 TRP 49 HZ2 TRP 49 -2.832 -2.834 2.870 351 HZ3 TRP 49 HZ3 TRP 49 0.382 -1.756 5.467 352 HH2 TRP 49 HH2 TRP 49 -1.515 -3.202 4.909 353 H HIS 50 HN HIS 50 0.949 5.267 1.869 354 HA HIS 50 HA HIS 50 -1.125 5.501 3.939 355 HB2 HIS 50 HB2 HIS 50 1.442 7.083 3.640 356 HB3 HIS 50 HB1 HIS 50 0.312 7.172 4.991 357 HD1 HIS 50 HD1 HIS 50 0.064 3.924 5.162 358 HD2 HIS 50 HD2 HIS 50 3.506 6.251 5.226 359 HE1 HIS 50 HE1 HIS 50 1.847 2.532 6.307 360 H GLN 51 HN GLN 51 -0.778 6.361 0.860 361 HA GLN 51 HA GLN 51 -1.837 9.077 1.264 362 HB2 GLN 51 HB2 GLN 51 -0.201 8.085 -1.081 363 HB3 GLN 51 HB1 GLN 51 -0.845 9.708 -0.884 364 HG2 GLN 51 HG2 GLN 51 1.081 8.467 1.049 365 HG3 GLN 51 HG1 GLN 51 1.591 9.407 -0.350 366 HE21 GLN 51 HE21 GLN 51 -0.050 9.526 2.747 367 HE22 GLN 51 HE22 GLN 51 0.066 11.238 2.947 368 H CYS 52 HN CYS 52 -3.741 9.509 0.431 369 HA CYS 52 HA CYS 52 -5.402 7.492 -0.629 370 HB2 CYS 52 HB2 CYS 52 -6.244 9.426 0.619 371 HB3 CYS 52 HB1 CYS 52 -5.696 10.502 -0.655 372 H ASP 53 HN ASP 53 -5.522 6.728 -2.647 373 HA ASP 53 HA ASP 53 -3.822 7.659 -4.697 374 HB2 ASP 53 HB2 ASP 53 -4.691 5.314 -4.485 375 HB3 ASP 53 HB1 ASP 53 -6.260 5.892 -5.037 376 H VAL 54 HN VAL 54 -6.884 8.758 -3.690 377 HA VAL 54 HA VAL 54 -7.589 9.847 -6.287 378 HB VAL 54 HB VAL 54 -9.009 10.132 -3.637 379 HG11 VAL 54 HG11 VAL 54 -10.900 10.927 -4.983 380 HG12 VAL 54 HG12 VAL 54 -9.876 10.891 -6.419 381 HG13 VAL 54 HG13 VAL 54 -9.503 11.999 -5.098 382 HG21 VAL 54 HG21 VAL 54 -10.625 8.557 -4.614 383 HG22 VAL 54 HG22 VAL 54 -9.024 7.839 -4.421 384 HG23 VAL 54 HG23 VAL 54 -9.570 8.365 -6.013 385 H CYS 55 HN CYS 55 -6.905 11.192 -3.022 386 HA CYS 55 HA CYS 55 -6.541 13.782 -4.367 387 HB2 CYS 55 HB2 CYS 55 -7.081 14.865 -2.244 388 HB3 CYS 55 HB1 CYS 55 -8.371 13.799 -2.778 389 H GLY 56 HN GLY 56 -4.750 11.357 -2.923 390 HA2 GLY 56 HA2 GLY 56 -2.458 11.272 -2.662 391 HA3 GLY 56 HA1 GLY 56 -2.388 12.989 -3.026 392 H LYS 57 HN LYS 57 -4.611 12.716 -0.630 393 HA LYS 57 HA LYS 57 -2.656 13.652 1.303 394 HB2 LYS 57 HB2 LYS 57 -5.669 13.632 1.487 395 HB3 LYS 57 HB1 LYS 57 -4.564 14.494 2.552 396 HG2 LYS 57 HG2 LYS 57 -3.843 15.905 0.744 397 HG3 LYS 57 HG1 LYS 57 -4.816 14.990 -0.406 398 HD2 LYS 57 HD2 LYS 57 -6.844 15.679 0.839 399 HD3 LYS 57 HD1 LYS 57 -5.826 16.681 1.878 400 HE2 LYS 57 HE2 LYS 57 -5.079 17.949 -0.075 401 HE3 LYS 57 HE1 LYS 57 -6.083 16.946 -1.118 402 HZ1 LYS 57 HZ1 LYS 57 -8.032 17.754 0.124 403 HZ2 LYS 57 HZ2 LYS 57 -7.200 18.995 -0.668 404 HZ3 LYS 57 HZ3 LYS 57 -7.028 18.797 1.002 405 H GLU 58 HN GLU 58 -3.676 13.101 3.702 406 HA GLU 58 HA GLU 58 -2.623 10.628 4.314 407 HB2 GLU 58 HB2 GLU 58 -2.998 12.469 5.928 408 HB3 GLU 58 HB1 GLU 58 -4.721 12.128 5.889 409 HG2 GLU 58 HG2 GLU 58 -3.884 11.118 7.843 410 HG3 GLU 58 HG1 GLU 58 -4.170 9.812 6.694 411 H ALA 59 HN ALA 59 -3.281 8.638 3.970 412 HA ALA 59 HA ALA 59 -6.034 8.069 3.276 413 HB1 ALA 59 HB1 ALA 59 -3.597 6.312 3.456 414 HB2 ALA 59 HB2 ALA 59 -4.345 6.963 1.995 415 HB3 ALA 59 HB3 ALA 59 -5.196 5.757 2.958 416 H ALA 60 HN ALA 60 -7.479 6.910 4.473 417 HA ALA 60 HA ALA 60 -6.763 6.499 7.290 418 HB1 ALA 60 HB1 ALA 60 -9.144 6.637 7.762 419 HB2 ALA 60 HB2 ALA 60 -9.491 6.780 6.039 420 HB3 ALA 60 HB3 ALA 60 -8.604 8.058 6.869 421 H SER 61 HN SER 61 -8.037 4.945 4.437 422 HA SER 61 HA SER 61 -7.865 2.378 5.849 423 HB2 SER 61 HB2 SER 61 -9.752 1.588 4.411 424 HB3 SER 61 HB1 SER 61 -10.213 2.864 5.533 425 HG SER 61 HG SER 61 -9.332 3.779 3.100 426 H PHE 62 HN PHE 62 -7.175 0.599 4.552 427 HA PHE 62 HA PHE 62 -5.596 1.470 2.219 428 HB2 PHE 62 HB2 PHE 62 -4.662 -0.622 4.182 429 HB3 PHE 62 HB1 PHE 62 -3.696 0.327 3.046 430 HD1 PHE 62 HD1 PHE 62 -4.888 0.043 6.393 431 HD2 PHE 62 HD2 PHE 62 -3.490 2.845 3.515 432 HE1 PHE 62 HE1 PHE 62 -4.417 1.653 8.190 433 HE2 PHE 62 HE2 PHE 62 -3.024 4.457 5.307 434 HZ PHE 62 HZ PHE 62 -3.483 3.863 7.648 435 H CYS 63 HN CYS 63 -5.834 0.179 0.420 436 HA CYS 63 HA CYS 63 -7.491 -2.148 0.533 437 HB2 CYS 63 HB2 CYS 63 -7.252 -0.697 -1.520 438 HB3 CYS 63 HB1 CYS 63 -5.643 -1.382 -1.738 439 H GLU 64 HN GLU 64 -6.938 -4.183 0.940 440 HA GLU 64 HA GLU 64 -4.135 -4.697 1.566 441 HB2 GLU 64 HB2 GLU 64 -6.581 -6.394 2.094 442 HB3 GLU 64 HB1 GLU 64 -4.960 -6.708 2.699 443 HG2 GLU 64 HG2 GLU 64 -5.039 -4.605 3.967 444 HG3 GLU 64 HG1 GLU 64 -6.676 -4.327 3.379 445 H MET 65 HN MET 65 -5.425 -4.650 -1.216 446 HA MET 65 HA MET 65 -4.177 -7.184 -2.059 447 HB2 MET 65 HB2 MET 65 -6.549 -5.845 -3.367 448 HB3 MET 65 HB1 MET 65 -5.739 -7.302 -3.940 449 HG2 MET 65 HG2 MET 65 -6.409 -8.492 -1.931 450 HG3 MET 65 HG1 MET 65 -7.180 -7.035 -1.306 451 HE1 MET 65 HE1 MET 65 -8.642 -9.337 -5.036 452 HE2 MET 65 HE2 MET 65 -7.235 -9.799 -4.079 453 HE3 MET 65 HE3 MET 65 -7.197 -8.328 -5.050 454 H CYS 66 HN CYS 66 -4.049 -3.830 -2.204 455 HA CYS 66 HA CYS 66 -1.998 -3.851 -4.183 456 HB2 CYS 66 HB2 CYS 66 -3.046 -2.626 -5.922 457 HB3 CYS 66 HB1 CYS 66 -4.206 -3.885 -5.513 458 HA PRO 67 HA PRO 67 -0.827 -0.228 -1.993 459 HB2 PRO 67 HB2 PRO 67 -0.118 1.247 -4.437 460 HB3 PRO 67 HB1 PRO 67 0.931 0.632 -3.155 461 HG2 PRO 67 HG2 PRO 67 0.913 -0.475 -5.593 462 HG3 PRO 67 HG1 PRO 67 1.116 -1.454 -4.128 463 HD2 PRO 67 HD2 PRO 67 -1.372 -1.020 -5.771 464 HD3 PRO 67 HD1 PRO 67 -0.711 -2.539 -5.110 465 H SER 68 HN SER 68 -3.568 -0.053 -3.817 466 HA SER 68 HA SER 68 -3.929 2.799 -3.865 467 HB2 SER 68 HB2 SER 68 -5.959 0.585 -4.261 468 HB3 SER 68 HB1 SER 68 -6.234 2.297 -4.579 469 HG SER 68 HG SER 68 -5.688 1.280 -6.500 470 H SER 69 HN SER 69 -3.871 3.699 -1.892 471 HA SER 69 HA SER 69 -5.772 2.726 0.123 472 HB2 SER 69 HB2 SER 69 -4.395 4.455 1.542 473 HB3 SER 69 HB1 SER 69 -3.700 2.870 1.187 474 HG SER 69 HG SER 69 -3.205 5.304 -0.210 475 H PHE 70 HN PHE 70 -7.052 4.399 1.280 476 HA PHE 70 HA PHE 70 -7.508 6.800 -0.346 477 HB2 PHE 70 HB2 PHE 70 -9.702 4.897 0.508 478 HB3 PHE 70 HB1 PHE 70 -9.938 6.443 -0.310 479 HD1 PHE 70 HD1 PHE 70 -8.751 6.695 -2.603 480 HD2 PHE 70 HD2 PHE 70 -9.576 2.963 -0.739 481 HE1 PHE 70 HE1 PHE 70 -8.587 5.576 -4.787 482 HE2 PHE 70 HE2 PHE 70 -9.416 1.833 -2.922 483 HZ PHE 70 HZ PHE 70 -8.928 3.124 -4.942 484 H CYS 71 HN CYS 71 -8.504 8.512 0.726 485 HA CYS 71 HA CYS 71 -8.050 8.608 3.567 486 HB2 CYS 71 HB2 CYS 71 -8.628 10.950 3.384 487 HB3 CYS 71 HB1 CYS 71 -7.592 10.527 2.025 488 H LYS 72 HN LYS 72 -9.932 9.884 4.825 489 HA LYS 72 HA LYS 72 -11.989 8.075 5.266 490 HB2 LYS 72 HB2 LYS 72 -11.936 11.043 5.809 491 HB3 LYS 72 HB1 LYS 72 -13.141 9.939 6.451 492 HG2 LYS 72 HG2 LYS 72 -11.402 8.734 7.661 493 HG3 LYS 72 HG1 LYS 72 -10.185 9.824 7.000 494 HD2 LYS 72 HD2 LYS 72 -11.251 11.711 8.111 495 HD3 LYS 72 HD1 LYS 72 -12.506 10.643 8.742 496 HE2 LYS 72 HE2 LYS 72 -9.572 10.335 9.323 497 HE3 LYS 72 HE1 LYS 72 -10.695 11.199 10.370 498 HZ1 LYS 72 HZ1 LYS 72 -10.373 8.946 11.134 499 HZ2 LYS 72 HZ2 LYS 72 -10.845 8.326 9.636 500 HZ3 LYS 72 HZ3 LYS 72 -11.967 9.140 10.602 501 H GLN 73 HN GLN 73 -11.942 10.950 3.222 502 HA GLN 73 HA GLN 73 -14.719 10.867 2.608 503 HB2 GLN 73 HB2 GLN 73 -13.346 12.927 2.534 504 HB3 GLN 73 HB1 GLN 73 -12.491 12.274 1.144 505 HG2 GLN 73 HG2 GLN 73 -14.578 12.226 -0.121 506 HG3 GLN 73 HG1 GLN 73 -15.434 12.889 1.267 507 HE21 GLN 73 HE21 GLN 73 -12.212 13.891 0.338 508 HE22 GLN 73 HE22 GLN 73 -12.651 15.484 -0.171 509 H HIS 74 HN HIS 74 -11.799 9.810 0.903 510 HA HIS 74 HA HIS 74 -13.456 9.040 -1.374 511 HB2 HIS 74 HB2 HIS 74 -10.446 9.155 -1.097 512 HB3 HIS 74 HB1 HIS 74 -11.308 8.699 -2.568 513 HD2 HIS 74 HD2 HIS 74 -13.537 11.109 -2.470 514 HE1 HIS 74 HE1 HIS 74 -10.132 13.606 -2.545 515 HE2 HIS 74 HE2 HIS 74 -12.616 13.470 -3.020 516 H ARG 75 HN ARG 75 -12.889 7.503 1.344 517 HA ARG 75 HA ARG 75 -12.171 4.957 0.125 518 HB2 ARG 75 HB2 ARG 75 -12.086 4.034 2.317 519 HB3 ARG 75 HB1 ARG 75 -11.260 5.581 2.360 520 HG2 ARG 75 HG2 ARG 75 -13.284 6.592 3.343 521 HG3 ARG 75 HG1 ARG 75 -14.030 4.990 3.373 522 HD2 ARG 75 HD2 ARG 75 -12.103 4.202 4.742 523 HD3 ARG 75 HD1 ARG 75 -11.535 5.863 4.826 524 HE ARG 75 HE ARG 75 -13.904 6.239 5.823 525 HH11 ARG 75 HH11 ARG 75 -11.836 3.471 6.348 526 HH12 ARG 75 HH12 ARG 75 -12.472 3.123 7.920 527 HH21 ARG 75 HH21 ARG 75 -14.761 5.785 7.897 528 HH22 ARG 75 HH22 ARG 75 -14.148 4.432 8.796 529 H GLU 76 HN GLU 76 -14.954 6.689 1.235 530 HA GLU 76 HA GLU 76 -16.697 4.469 1.450 531 HB2 GLU 76 HB2 GLU 76 -17.265 7.397 0.996 532 HB3 GLU 76 HB1 GLU 76 -18.507 6.190 1.300 533 HG2 GLU 76 HG2 GLU 76 -17.350 5.684 3.464 534 HG3 GLU 76 HG1 GLU 76 -16.318 7.078 3.161 535 H GLY 77 HN GLY 77 -17.616 3.293 -0.105 536 HA2 GLY 77 HA2 GLY 77 -18.521 2.750 -2.162 537 HA3 GLY 77 HA1 GLY 77 -18.288 4.419 -2.667 538 H MET 78 HN MET 78 -15.369 3.578 -1.525 539 HA MET 78 HA MET 78 -14.473 2.652 -4.176 540 HB2 MET 78 HB2 MET 78 -12.986 4.326 -2.138 541 HB3 MET 78 HB1 MET 78 -12.293 3.725 -3.638 542 HG2 MET 78 HG2 MET 78 -14.637 5.614 -3.434 543 HG3 MET 78 HG1 MET 78 -12.974 6.082 -3.788 544 HE1 MET 78 HE1 MET 78 -13.717 7.345 -5.964 545 HE2 MET 78 HE2 MET 78 -15.397 6.934 -5.619 546 HE3 MET 78 HE3 MET 78 -14.727 6.634 -7.223 547 H LEU 79 HN LEU 79 -14.000 2.278 -0.682 548 HA LEU 79 HA LEU 79 -12.589 -0.246 -1.253 549 HB2 LEU 79 HB2 LEU 79 -11.293 1.635 -0.110 550 HB3 LEU 79 HB1 LEU 79 -12.362 1.407 1.262 551 HG LEU 79 HG LEU 79 -11.542 -0.932 1.466 552 HD11 LEU 79 HD11 LEU 79 -9.484 -1.552 0.288 553 HD12 LEU 79 HD12 LEU 79 -9.586 -0.069 -0.660 554 HD13 LEU 79 HD13 LEU 79 -10.827 -1.308 -0.825 555 HD21 LEU 79 HD21 LEU 79 -9.281 -0.289 2.296 556 HD22 LEU 79 HD22 LEU 79 -10.588 0.743 2.870 557 HD23 LEU 79 HD23 LEU 79 -9.528 1.302 1.577 558 H PHE 80 HN PHE 80 -13.322 -2.079 -0.234 559 HA PHE 80 HA PHE 80 -15.355 -1.891 1.831 560 HB2 PHE 80 HB2 PHE 80 -16.903 -3.402 0.563 561 HB3 PHE 80 HB1 PHE 80 -16.746 -1.799 -0.139 562 HD1 PHE 80 HD1 PHE 80 -15.739 -1.484 -2.307 563 HD2 PHE 80 HD2 PHE 80 -15.927 -5.360 -0.544 564 HE1 PHE 80 HE1 PHE 80 -15.145 -2.498 -4.463 565 HE2 PHE 80 HE2 PHE 80 -15.340 -6.368 -2.702 566 HZ PHE 80 HZ PHE 80 -14.999 -4.929 -4.685 567 H ILE 81 HN ILE 81 -15.934 -4.131 2.642 568 HA ILE 81 HA ILE 81 -13.482 -5.645 2.906 569 HB ILE 81 HB ILE 81 -16.186 -5.967 4.199 570 HG12 ILE 81 HG12 ILE 81 -14.793 -4.058 4.949 571 HG13 ILE 81 HG11 ILE 81 -15.048 -5.249 6.218 572 HG21 ILE 81 HG21 ILE 81 -15.239 -8.168 3.964 573 HG22 ILE 81 HG22 ILE 81 -15.109 -7.655 5.647 574 HG23 ILE 81 HG23 ILE 81 -13.692 -7.606 4.597 575 HD11 ILE 81 HD11 ILE 81 -12.564 -4.865 4.574 576 HD12 ILE 81 HD12 ILE 81 -12.810 -6.175 5.727 577 HD13 ILE 81 HD13 ILE 81 -12.783 -4.503 6.284 578 H SER 82 HN SER 82 -12.979 -7.412 1.843 579 HA SER 82 HA SER 82 -14.670 -8.529 -0.156 580 HB2 SER 82 HB2 SER 82 -12.301 -8.589 -0.521 581 HB3 SER 82 HB1 SER 82 -12.022 -9.391 1.022 582 HG SER 82 HG SER 82 -12.222 -10.579 -1.227 583 H LYS 83 HN LYS 83 -16.192 -10.022 0.100 584 HA LYS 83 HA LYS 83 -16.690 -11.227 2.645 585 HB2 LYS 83 HB2 LYS 83 -17.910 -11.757 -0.066 586 HB3 LYS 83 HB1 LYS 83 -18.507 -12.414 1.452 587 HG2 LYS 83 HG2 LYS 83 -19.027 -10.204 2.257 588 HG3 LYS 83 HG1 LYS 83 -18.320 -9.479 0.812 589 HD2 LYS 83 HD2 LYS 83 -20.011 -10.595 -0.567 590 HD3 LYS 83 HD1 LYS 83 -20.718 -11.307 0.884 591 HE2 LYS 83 HE2 LYS 83 -20.490 -8.355 0.317 592 HE3 LYS 83 HE1 LYS 83 -21.947 -9.323 0.118 593 HZ1 LYS 83 HZ1 LYS 83 -21.927 -8.101 2.215 594 HZ2 LYS 83 HZ2 LYS 83 -20.518 -8.906 2.689 595 HZ3 LYS 83 HZ3 LYS 83 -21.953 -9.772 2.478 596 H LEU 84 HN LEU 84 -14.583 -11.917 0.172 597 HA LEU 84 HA LEU 84 -14.699 -14.795 0.372 598 HB2 LEU 84 HB2 LEU 84 -12.725 -13.021 -1.053 599 HB3 LEU 84 HB1 LEU 84 -12.868 -14.758 -1.244 600 HG LEU 84 HG LEU 84 -14.963 -12.725 -2.029 601 HD11 LEU 84 HD11 LEU 84 -13.135 -14.418 -3.724 602 HD12 LEU 84 HD12 LEU 84 -12.998 -12.677 -3.478 603 HD13 LEU 84 HD13 LEU 84 -14.401 -13.342 -4.315 604 HD21 LEU 84 HD21 LEU 84 -15.987 -14.812 -1.341 605 HD22 LEU 84 HD22 LEU 84 -14.885 -15.720 -2.377 606 HD23 LEU 84 HD23 LEU 84 -16.080 -14.639 -3.093 607 H ASP 85 HN ASP 85 -12.263 -12.275 1.095 608 HA ASP 85 HA ASP 85 -10.963 -14.248 2.860 609 HB2 ASP 85 HB2 ASP 85 -9.608 -12.059 1.282 610 HB3 ASP 85 HB1 ASP 85 -8.809 -13.220 2.337 611 H GLY 86 HN GLY 86 -12.656 -11.409 2.931 612 HA2 GLY 86 HA2 GLY 86 -13.121 -10.054 4.743 613 HA3 GLY 86 HA1 GLY 86 -11.891 -10.910 5.657 614 H ARG 87 HN ARG 87 -10.637 -9.886 2.754 615 HA ARG 87 HA ARG 87 -9.031 -7.876 4.041 616 HB2 ARG 87 HB2 ARG 87 -9.093 -9.018 1.255 617 HB3 ARG 87 HB1 ARG 87 -8.052 -7.671 1.688 618 HG2 ARG 87 HG2 ARG 87 -6.984 -9.077 3.403 619 HG3 ARG 87 HG1 ARG 87 -7.990 -10.431 2.882 620 HD2 ARG 87 HD2 ARG 87 -7.017 -10.358 0.680 621 HD3 ARG 87 HD1 ARG 87 -6.099 -8.914 1.097 622 HE ARG 87 HE ARG 87 -4.983 -10.427 2.803 623 HH11 ARG 87 HH11 ARG 87 -6.294 -11.651 -0.214 624 HH12 ARG 87 HH12 ARG 87 -5.121 -12.921 -0.351 625 HH21 ARG 87 HH21 ARG 87 -3.430 -12.088 2.607 626 HH22 ARG 87 HH22 ARG 87 -3.495 -13.170 1.252 627 H LEU 88 HN LEU 88 -8.986 -5.705 3.593 628 HA LEU 88 HA LEU 88 -11.285 -4.449 2.474 629 HB2 LEU 88 HB2 LEU 88 -8.537 -3.438 3.191 630 HB3 LEU 88 HB1 LEU 88 -9.775 -2.403 2.519 631 HG LEU 88 HG LEU 88 -10.344 -3.966 5.003 632 HD11 LEU 88 HD11 LEU 88 -9.522 -2.105 6.343 633 HD12 LEU 88 HD12 LEU 88 -8.949 -1.293 4.887 634 HD13 LEU 88 HD13 LEU 88 -8.212 -2.812 5.396 635 HD21 LEU 88 HD21 LEU 88 -11.280 -1.304 3.932 636 HD22 LEU 88 HD22 LEU 88 -11.824 -2.057 5.431 637 HD23 LEU 88 HD23 LEU 88 -12.183 -2.818 3.883 638 H SER 89 HN SER 89 -11.749 -4.499 0.374 639 HA SER 89 HA SER 89 -9.508 -4.545 -1.536 640 HB2 SER 89 HB2 SER 89 -10.782 -6.691 -1.390 641 HB3 SER 89 HB1 SER 89 -12.229 -5.824 -1.902 642 HG SER 89 HG SER 89 -10.032 -6.647 -3.364 643 H CYS 90 HN CYS 90 -9.540 -3.097 -3.154 644 HA CYS 90 HA CYS 90 -11.461 -0.947 -2.973 645 HB2 CYS 90 HB2 CYS 90 -9.993 0.256 -4.472 646 HB3 CYS 90 HB1 CYS 90 -8.998 -0.548 -3.257 647 H THR 91 HN THR 91 -12.259 0.012 -5.096 648 HA THR 91 HA THR 91 -13.750 -2.028 -6.469 649 HB THR 91 HB THR 91 -14.743 -0.027 -7.668 650 HG1 THR 91 HG1 THR 91 -14.152 1.903 -6.074 651 HG21 THR 91 HG21 THR 91 -14.833 -0.095 -4.652 652 HG22 THR 91 HG22 THR 91 -15.845 -1.030 -5.752 653 HG23 THR 91 HG23 THR 91 -16.003 0.724 -5.686 654 H GLU 92 HN GLU 92 -10.733 -1.511 -6.897 655 HA GLU 92 HA GLU 92 -10.798 -1.187 -9.815 656 HB2 GLU 92 HB2 GLU 92 -8.378 -1.262 -8.009 657 HB3 GLU 92 HB1 GLU 92 -8.418 -0.799 -9.703 658 HG2 GLU 92 HG2 GLU 92 -9.853 1.139 -9.064 659 HG3 GLU 92 HG1 GLU 92 -9.599 0.695 -7.379 660 H HIS 93 HN HIS 93 -11.379 -3.592 -7.918 661 HA HIS 93 HA HIS 93 -9.553 -5.488 -9.244 662 HB2 HIS 93 HB2 HIS 93 -10.730 -5.696 -6.465 663 HB3 HIS 93 HB1 HIS 93 -9.781 -6.947 -7.252 664 HD1 HIS 93 HD1 HIS 93 -7.753 -4.490 -8.351 665 HD2 HIS 93 HD2 HIS 93 -8.759 -5.658 -4.493 666 HE1 HIS 93 HE1 HIS 93 -5.885 -3.678 -6.847 667 H ASP 94 HN ASP 94 -11.428 -5.278 -10.823 668 HA ASP 94 HA ASP 94 -13.704 -6.938 -10.092 669 HB2 ASP 94 HB2 ASP 94 -13.042 -5.330 -12.556 670 HB3 ASP 94 HB1 ASP 94 -14.378 -6.475 -12.524
Contact the webmaster for help, if required. Thursday, May 23, 2024 5:26:56 PM GMT (wattos1)