![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
646019 |
6ohx ![]() ![]() |
30598 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 3.027 -0.476 -1.086 3 HA3 GLY 1 HA3 GLY 1 1.518 -0.564 -1.982 4 H GLU 2 H GLU 2 2.160 0.745 -3.665 5 HA GLU 2 HA GLU 2 3.532 3.143 -3.516 6 HB2 GLU 2 HB2 GLU 2 2.495 3.687 -5.698 7 HB3 GLU 2 HB3 GLU 2 3.133 2.050 -5.636 8 HG2 GLU 2 HG2 GLU 2 0.901 1.166 -5.294 9 HG3 GLU 2 HG3 GLU 2 0.239 2.799 -5.282 10 H GLU 3 H GLU 3 2.998 5.252 -3.174 11 HA GLU 3 HA GLU 3 0.244 6.073 -2.893 12 HB2 GLU 3 HB2 GLU 3 0.607 6.947 -0.568 13 HB3 GLU 3 HB3 GLU 3 0.530 5.195 -0.690 14 HG2 GLU 3 HG2 GLU 3 3.032 5.176 -0.701 15 HG3 GLU 3 HG3 GLU 3 2.980 6.899 -0.337 16 H VAL 4 H VAL 4 0.083 8.044 -3.720 17 HA VAL 4 HA VAL 4 2.221 9.987 -3.292 18 HB VAL 4 HB VAL 4 2.055 10.660 -5.734 19 HG11 VAL 4 HG11 VAL 4 3.253 8.000 -5.850 20 HG12 VAL 4 HG12 VAL 4 3.993 9.588 -6.053 21 HG13 VAL 4 HG13 VAL 4 3.739 8.933 -4.435 22 HG21 VAL 4 HG21 VAL 4 1.375 8.917 -7.314 23 HG22 VAL 4 HG22 VAL 4 0.871 7.894 -5.969 24 HG23 VAL 4 HG23 VAL 4 0.031 9.413 -6.284 25 H ARG 5 H ARG 5 1.559 12.192 -4.060 26 HA ARG 5 HA ARG 5 -1.238 12.699 -4.457 27 HB2 ARG 5 HB2 ARG 5 -1.786 13.719 -2.426 28 HB3 ARG 5 HB3 ARG 5 -0.907 12.276 -1.939 29 HG2 ARG 5 HG2 ARG 5 0.269 15.042 -2.127 30 HG3 ARG 5 HG3 ARG 5 -0.267 14.256 -0.641 31 HD2 ARG 5 HD2 ARG 5 1.364 12.355 -1.475 32 HD3 ARG 5 HD3 ARG 5 2.109 13.697 -2.343 33 HE ARG 5 HE ARG 5 2.995 14.388 -0.365 34 HH11 ARG 5 HH11 ARG 5 0.198 12.428 0.310 35 HH12 ARG 5 HH12 ARG 5 0.415 12.480 2.028 36 HH21 ARG 5 HH21 ARG 5 3.290 14.465 1.896 37 HH22 ARG 5 HH22 ARG 5 2.173 13.640 2.929 38 H ASP 6 H ASP 6 -1.628 14.745 -5.239 39 HA ASP 6 HA ASP 6 0.654 16.179 -6.217 40 HB2 ASP 6 HB2 ASP 6 -2.140 17.259 -6.351 41 HB3 ASP 6 HB3 ASP 6 -0.839 17.388 -7.532 42 H ALA 7 H ALA 7 1.798 17.439 -4.904 43 HA ALA 7 HA ALA 7 0.384 19.457 -3.326 44 HB1 ALA 7 HB1 ALA 7 1.632 17.186 -2.181 45 HB2 ALA 7 HB2 ALA 7 2.609 18.598 -1.780 46 HB3 ALA 7 HB3 ALA 7 0.896 18.564 -1.362 47 H TYR 8 H TYR 8 1.788 21.231 -2.635 48 HA TYR 8 HA TYR 8 3.548 22.021 -4.741 49 HB2 TYR 8 HB2 TYR 8 2.388 23.256 -2.328 50 HB3 TYR 8 HB3 TYR 8 3.963 23.884 -2.800 51 HD1 TYR 8 HD1 TYR 8 0.522 24.278 -3.215 52 HD2 TYR 8 HD2 TYR 8 4.162 24.399 -5.415 53 HE1 TYR 8 HE1 TYR 8 -0.558 25.691 -4.913 54 HE2 TYR 8 HE2 TYR 8 3.092 25.813 -7.119 55 HH TYR 8 HH TYR 8 0.327 27.458 -6.672 56 H ILE 9 H ILE 9 5.482 21.078 -4.913 57 HA ILE 9 HA ILE 9 6.954 19.972 -2.783 58 HB ILE 9 HB ILE 9 7.223 19.387 -5.212 59 HG12 ILE 9 HG12 ILE 9 9.745 20.139 -3.718 60 HG13 ILE 9 HG13 ILE 9 8.827 18.655 -3.491 61 HG21 ILE 9 HG21 ILE 9 7.708 22.107 -5.481 62 HG22 ILE 9 HG22 ILE 9 9.283 21.350 -5.722 63 HG23 ILE 9 HG23 ILE 9 7.912 20.870 -6.721 64 HD11 ILE 9 HD11 ILE 9 10.938 19.119 -5.266 65 HD12 ILE 9 HD12 ILE 9 9.927 17.679 -5.138 66 HD13 ILE 9 HD13 ILE 9 9.486 18.970 -6.256 67 H ALA 10 H ALA 10 8.852 20.678 -1.760 68 HA ALA 10 HA ALA 10 9.685 23.444 -2.132 69 HB1 ALA 10 HB1 ALA 10 8.562 24.230 -0.386 70 HB2 ALA 10 HB2 ALA 10 7.975 22.617 0.021 71 HB3 ALA 10 HB3 ALA 10 9.523 23.178 0.653 72 H GLN 11 H GLN 11 11.814 23.750 -1.739 73 HA GLN 11 HA GLN 11 13.593 21.652 -1.646 74 HB2 GLN 11 HB2 GLN 11 15.242 23.417 -0.769 75 HB3 GLN 11 HB3 GLN 11 14.473 23.713 -2.323 76 HG2 GLN 11 HG2 GLN 11 12.946 25.270 -1.346 77 HG3 GLN 11 HG3 GLN 11 13.500 24.866 0.278 78 HE21 GLN 11 HE21 GLN 11 14.409 26.367 -2.757 79 HE22 GLN 11 HE22 GLN 11 15.658 27.368 -2.107 80 HA PRO 12 HA PRO 12 13.850 20.192 2.481 81 HB2 PRO 12 HB2 PRO 12 16.503 19.666 2.727 82 HB3 PRO 12 HB3 PRO 12 15.416 18.683 1.738 83 HG2 PRO 12 HG2 PRO 12 17.299 20.852 0.897 84 HG3 PRO 12 HG3 PRO 12 16.992 19.280 0.136 85 HD2 PRO 12 HD2 PRO 12 15.902 21.582 -0.783 86 HD3 PRO 12 HD3 PRO 12 15.071 20.018 -0.903 87 H HIS 13 H HIS 13 15.376 23.078 1.555 88 HA HIS 13 HA HIS 13 16.337 23.679 4.248 89 HB2 HIS 13 HB2 HIS 13 16.683 24.975 1.563 90 HB3 HIS 13 HB3 HIS 13 17.011 25.885 3.035 91 HD1 HIS 13 HD1 HIS 13 19.120 24.902 0.809 92 HD2 HIS 13 HD2 HIS 13 18.503 23.270 4.579 93 HE1 HIS 13 HE1 HIS 13 21.264 23.724 1.391 94 H ASN 14 H ASN 14 13.505 23.390 3.787 95 HA ASN 14 HA ASN 14 11.513 24.436 4.160 96 HB2 ASN 14 HB2 ASN 14 12.798 24.773 6.330 97 HB3 ASN 14 HB3 ASN 14 13.133 26.409 5.770 98 HD21 ASN 14 HD21 ASN 14 10.250 24.349 5.636 99 HD22 ASN 14 HD22 ASN 14 9.201 25.473 6.425 100 H CYS 15 H CYS 15 11.571 25.081 1.851 101 HA CYS 15 HA CYS 15 10.826 27.788 1.553 102 HB2 CYS 15 HB2 CYS 15 13.627 27.238 1.239 103 HB3 CYS 15 HB3 CYS 15 12.950 27.717 -0.315 104 H VAL 16 H VAL 16 10.293 28.323 -0.724 105 HA VAL 16 HA VAL 16 9.205 25.973 -2.037 106 HB VAL 16 HB VAL 16 8.103 27.625 -3.546 107 HG11 VAL 16 HG11 VAL 16 7.577 28.399 -0.698 108 HG12 VAL 16 HG12 VAL 16 6.431 28.181 -2.022 109 HG13 VAL 16 HG13 VAL 16 7.206 26.778 -1.287 110 HG21 VAL 16 HG21 VAL 16 8.466 29.961 -1.954 111 HG22 VAL 16 HG22 VAL 16 10.049 29.363 -2.452 112 HG23 VAL 16 HG23 VAL 16 8.821 29.723 -3.665 113 H TYR 17 H TYR 17 10.074 25.010 -3.751 114 HA TYR 17 HA TYR 17 12.586 25.571 -4.754 115 HB2 TYR 17 HB2 TYR 17 10.320 23.874 -5.577 116 HB3 TYR 17 HB3 TYR 17 11.439 24.295 -6.869 117 HD1 TYR 17 HD1 TYR 17 13.938 23.841 -6.447 118 HD2 TYR 17 HD2 TYR 17 10.822 22.127 -4.113 119 HE1 TYR 17 HE1 TYR 17 15.480 22.080 -5.693 120 HE2 TYR 17 HE2 TYR 17 12.355 20.362 -3.351 121 HH TYR 17 HH TYR 17 15.775 20.444 -4.112 122 H HIS 18 H HIS 18 13.111 27.526 -5.536 123 HA HIS 18 HA HIS 18 11.336 29.111 -7.118 124 HB2 HIS 18 HB2 HIS 18 12.964 30.212 -5.712 125 HB3 HIS 18 HB3 HIS 18 14.288 29.386 -6.527 126 HD1 HIS 18 HD1 HIS 18 11.652 32.017 -7.190 127 HD2 HIS 18 HD2 HIS 18 15.265 30.670 -8.737 128 HE1 HIS 18 HE1 HIS 18 12.292 33.689 -8.956 129 H CYS 19 H CYS 19 10.793 28.435 -9.096 130 HA CYS 19 HA CYS 19 12.893 27.335 -10.836 131 HB2 CYS 19 HB2 CYS 19 11.091 26.355 -12.156 132 HB3 CYS 19 HB3 CYS 19 10.936 25.881 -10.468 133 H PHE 20 H PHE 20 13.423 28.301 -12.723 134 HA PHE 20 HA PHE 20 12.709 31.023 -13.111 135 HB2 PHE 20 HB2 PHE 20 14.880 29.717 -13.787 136 HB3 PHE 20 HB3 PHE 20 13.987 29.381 -15.267 137 HD1 PHE 20 HD1 PHE 20 14.417 30.780 -17.021 138 HD2 PHE 20 HD2 PHE 20 14.654 32.320 -13.061 139 HE1 PHE 20 HE1 PHE 20 15.076 32.974 -17.918 140 HE2 PHE 20 HE2 PHE 20 15.313 34.517 -13.951 141 HZ PHE 20 HZ PHE 20 15.524 34.847 -16.383 142 H ARG 21 H ARG 21 11.784 28.003 -14.686 143 HA ARG 21 HA ARG 21 9.394 29.270 -15.720 144 HB2 ARG 21 HB2 ARG 21 9.787 28.523 -18.037 145 HB3 ARG 21 HB3 ARG 21 10.965 29.721 -17.518 146 HG2 ARG 21 HG2 ARG 21 12.627 28.005 -17.184 147 HG3 ARG 21 HG3 ARG 21 11.447 26.750 -17.567 148 HD2 ARG 21 HD2 ARG 21 12.535 26.966 -19.581 149 HD3 ARG 21 HD3 ARG 21 11.191 28.086 -19.798 150 HE ARG 21 HE ARG 21 13.409 29.449 -18.715 151 HH11 ARG 21 HH11 ARG 21 12.299 27.987 -21.673 152 HH12 ARG 21 HH12 ARG 21 13.242 29.024 -22.692 153 HH21 ARG 21 HH21 ARG 21 14.655 30.820 -20.046 154 HH22 ARG 21 HH22 ARG 21 14.582 30.634 -21.766 155 H ASP 22 H ASP 22 7.974 27.628 -16.833 156 HA ASP 22 HA ASP 22 7.441 25.486 -15.174 157 HB2 ASP 22 HB2 ASP 22 5.809 24.828 -16.719 158 HB3 ASP 22 HB3 ASP 22 5.986 26.554 -17.026 159 H SER 23 H SER 23 9.489 25.626 -18.028 160 HA SER 23 HA SER 23 9.889 22.894 -18.436 161 HB2 SER 23 HB2 SER 23 10.631 24.820 -19.928 162 HB3 SER 23 HB3 SER 23 12.015 24.999 -18.850 163 HG SER 23 HG SER 23 11.800 23.364 -20.877 164 H TYR 24 H TYR 24 11.261 25.082 -16.090 165 HA TYR 24 HA TYR 24 13.406 23.390 -15.280 166 HB2 TYR 24 HB2 TYR 24 13.414 25.823 -14.882 167 HB3 TYR 24 HB3 TYR 24 12.059 25.642 -13.774 168 HD1 TYR 24 HD1 TYR 24 12.378 24.593 -11.581 169 HD2 TYR 24 HD2 TYR 24 15.652 25.220 -14.224 170 HE1 TYR 24 HE1 TYR 24 13.943 24.220 -9.721 171 HE2 TYR 24 HE2 TYR 24 17.226 24.847 -12.372 172 HH TYR 24 HH TYR 24 17.351 24.825 -10.038 173 H CYS 25 H CYS 25 10.351 24.253 -13.648 174 HA CYS 25 HA CYS 25 10.568 22.352 -11.598 175 HB2 CYS 25 HB2 CYS 25 9.035 24.185 -11.359 176 HB3 CYS 25 HB3 CYS 25 8.151 23.706 -12.805 177 H ASN 26 H ASN 26 9.275 22.138 -14.850 178 HA ASN 26 HA ASN 26 7.829 19.771 -14.662 179 HB2 ASN 26 HB2 ASN 26 7.603 20.939 -16.683 180 HB3 ASN 26 HB3 ASN 26 9.344 21.066 -16.912 181 HD21 ASN 26 HD21 ASN 26 7.292 18.283 -16.160 182 HD22 ASN 26 HD22 ASN 26 7.743 17.356 -17.547 183 H ASP 27 H ASP 27 11.211 20.137 -15.740 184 HA ASP 27 HA ASP 27 11.706 17.325 -15.661 185 HB2 ASP 27 HB2 ASP 27 12.922 19.376 -16.923 186 HB3 ASP 27 HB3 ASP 27 14.003 19.194 -15.545 187 H LEU 28 H LEU 28 12.264 20.015 -13.470 188 HA LEU 28 HA LEU 28 13.997 18.792 -11.661 189 HB2 LEU 28 HB2 LEU 28 13.723 21.073 -11.366 190 HB3 LEU 28 HB3 LEU 28 11.965 20.972 -11.440 191 HG LEU 28 HG LEU 28 11.903 20.027 -9.201 192 HD11 LEU 28 HD11 LEU 28 14.450 20.469 -8.178 193 HD12 LEU 28 HD12 LEU 28 13.677 18.910 -8.468 194 HD13 LEU 28 HD13 LEU 28 14.717 19.621 -9.702 195 HD21 LEU 28 HD21 LEU 28 12.294 22.604 -9.811 196 HD22 LEU 28 HD22 LEU 28 12.094 22.027 -8.157 197 HD23 LEU 28 HD23 LEU 28 13.710 22.332 -8.795 198 H CYS 29 H CYS 29 10.520 18.547 -12.022 199 HA CYS 29 HA CYS 29 10.060 17.211 -9.542 200 HB2 CYS 29 HB2 CYS 29 8.436 17.608 -12.042 201 HB3 CYS 29 HB3 CYS 29 7.864 16.563 -10.745 202 H ILE 30 H ILE 30 10.697 16.176 -12.845 203 HA ILE 30 HA ILE 30 10.088 13.465 -12.602 204 HB ILE 30 HB ILE 30 12.290 14.687 -14.270 205 HG12 ILE 30 HG12 ILE 30 9.445 14.065 -15.079 206 HG13 ILE 30 HG13 ILE 30 9.987 15.666 -14.586 207 HG21 ILE 30 HG21 ILE 30 12.748 12.485 -14.533 208 HG22 ILE 30 HG22 ILE 30 11.119 11.979 -14.085 209 HG23 ILE 30 HG23 ILE 30 11.435 12.599 -15.706 210 HD11 ILE 30 HD11 ILE 30 10.659 14.118 -17.045 211 HD12 ILE 30 HD12 ILE 30 10.079 15.776 -16.884 212 HD13 ILE 30 HD13 ILE 30 11.743 15.379 -16.458 213 H LYS 31 H LYS 31 13.119 15.184 -11.942 214 HA LYS 31 HA LYS 31 14.719 12.979 -11.347 215 HB2 LYS 31 HB2 LYS 31 15.670 15.188 -11.641 216 HB3 LYS 31 HB3 LYS 31 14.804 15.787 -10.233 217 HG2 LYS 31 HG2 LYS 31 16.637 13.488 -9.848 218 HG3 LYS 31 HG3 LYS 31 17.349 15.079 -10.128 219 HD2 LYS 31 HD2 LYS 31 15.697 15.866 -8.291 220 HD3 LYS 31 HD3 LYS 31 15.607 14.153 -7.874 221 HE2 LYS 31 HE2 LYS 31 17.312 14.883 -6.503 222 HE3 LYS 31 HE3 LYS 31 18.206 14.291 -7.902 223 HZ1 LYS 31 HZ1 LYS 31 18.805 16.574 -6.943 224 HZ2 LYS 31 HZ2 LYS 31 18.658 16.429 -8.622 225 HZ3 LYS 31 HZ3 LYS 31 17.407 17.124 -7.720 226 H HIS 32 H HIS 32 12.493 14.809 -9.313 227 HA HIS 32 HA HIS 32 13.183 13.497 -6.885 228 HB2 HIS 32 HB2 HIS 32 10.832 15.170 -7.745 229 HB3 HIS 32 HB3 HIS 32 10.900 14.427 -6.149 230 HD1 HIS 32 HD1 HIS 32 11.488 16.201 -4.539 231 HD2 HIS 32 HD2 HIS 32 13.677 16.525 -8.055 232 HE1 HIS 32 HE1 HIS 32 13.074 18.117 -4.169 233 H GLY 33 H GLY 33 10.976 12.802 -9.495 234 HA2 GLY 33 HA2 GLY 33 10.455 10.405 -9.776 235 HA3 GLY 33 HA3 GLY 33 10.137 10.365 -8.048 236 H ALA 34 H ALA 34 9.127 12.965 -10.178 237 HA ALA 34 HA ALA 34 6.332 12.205 -9.649 238 HB1 ALA 34 HB1 ALA 34 5.894 14.325 -9.132 239 HB2 ALA 34 HB2 ALA 34 7.636 14.599 -9.141 240 HB3 ALA 34 HB3 ALA 34 6.686 14.918 -10.592 241 H GLU 35 H GLU 35 4.761 12.827 -11.350 242 HA GLU 35 HA GLU 35 5.529 11.747 -13.853 243 HB2 GLU 35 HB2 GLU 35 3.106 12.476 -12.545 244 HB3 GLU 35 HB3 GLU 35 3.120 13.247 -14.125 245 HG2 GLU 35 HG2 GLU 35 3.321 11.177 -15.242 246 HG3 GLU 35 HG3 GLU 35 3.690 10.324 -13.744 247 H SER 36 H SER 36 4.762 15.054 -12.807 248 HA SER 36 HA SER 36 6.554 16.161 -14.758 249 HB2 SER 36 HB2 SER 36 4.904 17.464 -15.996 250 HB3 SER 36 HB3 SER 36 4.540 15.745 -16.144 251 HG SER 36 HG SER 36 2.624 16.533 -15.596 252 H GLY 37 H GLY 37 5.967 18.736 -14.806 253 HA2 GLY 37 HA2 GLY 37 5.136 19.686 -12.194 254 HA3 GLY 37 HA3 GLY 37 6.850 19.873 -12.537 255 H GLU 38 H GLU 38 4.603 21.835 -12.151 256 HA GLU 38 HA GLU 38 5.277 23.499 -14.452 257 HB2 GLU 38 HB2 GLU 38 3.009 24.100 -14.935 258 HB3 GLU 38 HB3 GLU 38 3.116 22.345 -14.962 259 HG2 GLU 38 HG2 GLU 38 2.346 22.529 -12.487 260 HG3 GLU 38 HG3 GLU 38 1.792 24.129 -12.975 261 H CYS 39 H CYS 39 5.234 25.704 -14.042 262 HA CYS 39 HA CYS 39 5.394 26.421 -11.248 263 HB2 CYS 39 HB2 CYS 39 5.868 27.957 -13.803 264 HB3 CYS 39 HB3 CYS 39 5.983 28.698 -12.210 265 H LYS 40 H LYS 40 3.966 27.591 -10.092 266 HA LYS 40 HA LYS 40 1.615 28.675 -11.494 267 HB2 LYS 40 HB2 LYS 40 1.753 26.736 -9.267 268 HB3 LYS 40 HB3 LYS 40 0.568 28.021 -9.082 269 HG2 LYS 40 HG2 LYS 40 -0.640 27.349 -10.951 270 HG3 LYS 40 HG3 LYS 40 0.708 26.413 -11.602 271 HD2 LYS 40 HD2 LYS 40 -0.144 24.597 -10.643 272 HD3 LYS 40 HD3 LYS 40 0.137 25.336 -9.064 273 HE2 LYS 40 HE2 LYS 40 -2.197 24.626 -9.353 274 HE3 LYS 40 HE3 LYS 40 -2.057 26.369 -9.130 275 HZ1 LYS 40 HZ1 LYS 40 -2.102 25.289 -11.859 276 HZ2 LYS 40 HZ2 LYS 40 -3.557 25.392 -11.001 277 HZ3 LYS 40 HZ3 LYS 40 -2.642 26.786 -11.286 278 H TRP 41 H TRP 41 1.424 30.784 -11.178 279 HA TRP 41 HA TRP 41 2.920 32.108 -9.097 280 HB2 TRP 41 HB2 TRP 41 2.397 32.898 -11.557 281 HB3 TRP 41 HB3 TRP 41 0.932 33.537 -10.816 282 HD1 TRP 41 HD1 TRP 41 4.728 33.693 -9.957 283 HE1 TRP 41 HE1 TRP 41 5.271 36.108 -9.252 284 HE3 TRP 41 HE3 TRP 41 0.063 35.736 -10.405 285 HZ2 TRP 41 HZ2 TRP 41 3.902 38.556 -8.928 286 HZ3 TRP 41 HZ3 TRP 41 -0.235 38.121 -9.878 287 HH2 TRP 41 HH2 TRP 41 1.646 39.500 -9.154 288 H PHE 42 H PHE 42 2.009 31.561 -7.140 289 HA PHE 42 HA PHE 42 -0.828 31.834 -6.693 290 HB2 PHE 42 HB2 PHE 42 0.653 30.112 -5.569 291 HB3 PHE 42 HB3 PHE 42 1.319 31.429 -4.609 292 HD1 PHE 42 HD1 PHE 42 -2.145 30.515 -5.654 293 HD2 PHE 42 HD2 PHE 42 0.546 31.320 -2.455 294 HE1 PHE 42 HE1 PHE 42 -3.989 30.268 -4.045 295 HE2 PHE 42 HE2 PHE 42 -1.294 31.073 -0.841 296 HZ PHE 42 HZ PHE 42 -3.565 30.545 -1.635 297 H THR 43 H THR 43 2.095 33.650 -5.991 298 HA THR 43 HA THR 43 0.541 36.037 -5.529 299 HB THR 43 HB THR 43 0.615 34.916 -3.278 300 HG1 THR 43 HG1 THR 43 0.545 37.284 -3.675 301 HG21 THR 43 HG21 THR 43 2.527 34.185 -2.391 302 HG22 THR 43 HG22 THR 43 3.309 34.538 -3.931 303 HG23 THR 43 HG23 THR 43 3.305 35.746 -2.647 304 H SER 44 H SER 44 2.266 37.807 -4.663 305 HA SER 44 HA SER 44 4.306 37.837 -6.730 306 HB2 SER 44 HB2 SER 44 2.797 39.814 -6.201 307 HB3 SER 44 HB3 SER 44 3.725 40.011 -4.715 308 HG SER 44 HG SER 44 4.614 40.244 -7.389 309 H SER 45 H SER 45 4.599 36.016 -4.473 310 HA SER 45 HA SER 45 6.950 37.156 -3.123 311 HB2 SER 45 HB2 SER 45 5.126 36.289 -1.666 312 HB3 SER 45 HB3 SER 45 5.363 34.690 -2.370 313 HG SER 45 HG SER 45 7.385 34.601 -1.468 314 H GLY 46 H GLY 46 6.559 35.762 -5.870 315 HA2 GLY 46 HA2 GLY 46 8.490 34.866 -7.017 316 HA3 GLY 46 HA3 GLY 46 8.890 33.986 -5.550 317 H ASN 47 H ASN 47 8.321 33.199 -8.435 318 HA ASN 47 HA ASN 47 5.920 31.694 -8.450 319 HB2 ASN 47 HB2 ASN 47 7.065 30.503 -10.406 320 HB3 ASN 47 HB3 ASN 47 6.812 32.238 -10.568 321 HD21 ASN 47 HD21 ASN 47 8.454 33.092 -11.606 322 HD22 ASN 47 HD22 ASN 47 10.124 32.736 -11.341 323 H ALA 48 H ALA 48 5.492 29.625 -7.883 324 HA ALA 48 HA ALA 48 7.641 28.166 -6.503 325 HB1 ALA 48 HB1 ALA 48 6.076 27.261 -5.067 326 HB2 ALA 48 HB2 ALA 48 5.416 28.871 -5.354 327 HB3 ALA 48 HB3 ALA 48 4.748 27.479 -6.206 328 H CYS 49 H CYS 49 7.543 25.777 -6.636 329 HA CYS 49 HA CYS 49 6.902 24.957 -9.382 330 HB2 CYS 49 HB2 CYS 49 9.224 24.652 -8.866 331 HB3 CYS 49 HB3 CYS 49 8.840 23.843 -7.351 332 H TRP 50 H TRP 50 5.181 23.725 -9.693 333 HA TRP 50 HA TRP 50 4.067 22.247 -7.414 334 HB2 TRP 50 HB2 TRP 50 2.475 23.755 -8.384 335 HB3 TRP 50 HB3 TRP 50 2.833 23.178 -10.009 336 HD1 TRP 50 HD1 TRP 50 1.801 20.796 -10.722 337 HE1 TRP 50 HE1 TRP 50 -0.198 19.463 -9.800 338 HE3 TRP 50 HE3 TRP 50 1.208 23.210 -6.254 339 HZ2 TRP 50 HZ2 TRP 50 -1.814 19.439 -7.485 340 HZ3 TRP 50 HZ3 TRP 50 -0.588 22.470 -4.744 341 HH2 TRP 50 HH2 TRP 50 -2.067 20.624 -5.349 342 H CYS 51 H CYS 51 4.262 20.113 -7.332 343 HA CYS 51 HA CYS 51 5.041 18.682 -9.780 344 HB2 CYS 51 HB2 CYS 51 5.512 18.115 -6.858 345 HB3 CYS 51 HB3 CYS 51 5.734 16.877 -8.090 346 H VAL 52 H VAL 52 4.079 16.673 -10.281 347 HA VAL 52 HA VAL 52 1.348 16.408 -9.234 348 HB VAL 52 HB VAL 52 2.560 15.289 -11.766 349 HG11 VAL 52 HG11 VAL 52 -0.098 14.946 -10.462 350 HG12 VAL 52 HG12 VAL 52 -0.003 14.984 -12.223 351 HG13 VAL 52 HG13 VAL 52 0.899 13.768 -11.317 352 HG21 VAL 52 HG21 VAL 52 0.377 17.079 -12.190 353 HG22 VAL 52 HG22 VAL 52 1.577 17.867 -11.166 354 HG23 VAL 52 HG23 VAL 52 2.048 17.220 -12.738 355 H LYS 53 H LYS 53 0.555 14.466 -8.476 356 HA LYS 53 HA LYS 53 0.771 12.618 -7.120 357 HB2 LYS 53 HB2 LYS 53 1.386 10.630 -8.380 358 HB3 LYS 53 HB3 LYS 53 0.417 11.703 -9.382 359 HG2 LYS 53 HG2 LYS 53 2.209 12.288 -10.721 360 HG3 LYS 53 HG3 LYS 53 3.400 11.817 -9.506 361 HD2 LYS 53 HD2 LYS 53 1.837 9.532 -10.174 362 HD3 LYS 53 HD3 LYS 53 2.387 10.289 -11.670 363 HE2 LYS 53 HE2 LYS 53 4.647 10.391 -10.178 364 HE3 LYS 53 HE3 LYS 53 3.914 8.908 -9.569 365 HZ1 LYS 53 HZ1 LYS 53 4.925 7.992 -11.328 366 HZ2 LYS 53 HZ2 LYS 53 3.624 8.611 -12.215 367 HZ3 LYS 53 HZ3 LYS 53 5.085 9.461 -12.153 368 H LEU 54 H LEU 54 2.769 14.432 -6.476 369 HA LEU 54 HA LEU 54 5.367 13.313 -6.497 370 HB2 LEU 54 HB2 LEU 54 4.507 15.741 -5.996 371 HB3 LEU 54 HB3 LEU 54 4.474 15.160 -4.333 372 HG LEU 54 HG LEU 54 6.872 14.676 -4.456 373 HD11 LEU 54 HD11 LEU 54 7.581 16.146 -6.779 374 HD12 LEU 54 HD12 LEU 54 7.908 14.455 -6.400 375 HD13 LEU 54 HD13 LEU 54 6.425 14.899 -7.246 376 HD21 LEU 54 HD21 LEU 54 6.782 16.735 -3.555 377 HD22 LEU 54 HD22 LEU 54 7.453 17.240 -5.106 378 HD23 LEU 54 HD23 LEU 54 5.717 17.355 -4.816 379 HA PRO 55 HA PRO 55 4.879 10.203 -3.388 380 HB2 PRO 55 HB2 PRO 55 7.516 9.687 -3.001 381 HB3 PRO 55 HB3 PRO 55 6.626 9.127 -4.422 382 HG2 PRO 55 HG2 PRO 55 8.430 11.498 -4.130 383 HG3 PRO 55 HG3 PRO 55 8.329 10.326 -5.457 384 HD2 PRO 55 HD2 PRO 55 7.187 12.777 -5.589 385 HD3 PRO 55 HD3 PRO 55 6.493 11.355 -6.395 386 H LYS 56 H LYS 56 4.943 10.054 -1.180 387 HA LYS 56 HA LYS 56 5.198 12.371 0.350 388 HB2 LYS 56 HB2 LYS 56 5.181 9.454 1.113 389 HB3 LYS 56 HB3 LYS 56 5.246 10.737 2.314 390 HG2 LYS 56 HG2 LYS 56 3.097 11.430 1.893 391 HG3 LYS 56 HG3 LYS 56 3.098 10.787 0.249 392 HD2 LYS 56 HD2 LYS 56 2.660 8.630 0.952 393 HD3 LYS 56 HD3 LYS 56 3.317 8.913 2.566 394 HE2 LYS 56 HE2 LYS 56 1.373 10.440 2.985 395 HE3 LYS 56 HE3 LYS 56 0.696 9.897 1.451 396 HZ1 LYS 56 HZ1 LYS 56 1.485 7.858 3.394 397 HZ2 LYS 56 HZ2 LYS 56 0.078 8.741 3.712 398 HZ3 LYS 56 HZ3 LYS 56 0.213 7.852 2.279 399 H SER 57 H SER 57 7.540 9.916 -0.482 400 HA SER 57 HA SER 57 9.496 10.318 1.424 401 HB2 SER 57 HB2 SER 57 10.318 9.988 -1.435 402 HB3 SER 57 HB3 SER 57 10.942 9.189 0.008 403 HG SER 57 HG SER 57 8.888 8.075 0.096 404 H GLU 58 H GLU 58 8.732 12.254 -1.410 405 HA GLU 58 HA GLU 58 11.024 13.961 -1.141 406 HB2 GLU 58 HB2 GLU 58 8.488 14.246 -2.759 407 HB3 GLU 58 HB3 GLU 58 9.845 15.359 -2.847 408 HG2 GLU 58 HG2 GLU 58 10.057 12.419 -3.435 409 HG3 GLU 58 HG3 GLU 58 9.759 13.650 -4.660 410 HA PRO 59 HA PRO 59 9.550 16.883 1.782 411 HB2 PRO 59 HB2 PRO 59 10.666 19.176 0.849 412 HB3 PRO 59 HB3 PRO 59 11.606 17.897 1.627 413 HG2 PRO 59 HG2 PRO 59 11.247 18.478 -1.287 414 HG3 PRO 59 HG3 PRO 59 12.723 18.041 -0.407 415 HD2 PRO 59 HD2 PRO 59 11.310 16.248 -1.864 416 HD3 PRO 59 HD3 PRO 59 12.203 15.795 -0.398 417 H ILE 60 H ILE 60 8.191 18.754 2.080 418 HA ILE 60 HA ILE 60 6.793 19.790 -0.251 419 HB ILE 60 HB ILE 60 4.561 19.334 0.824 420 HG12 ILE 60 HG12 ILE 60 6.196 17.361 2.435 421 HG13 ILE 60 HG13 ILE 60 5.398 18.794 3.075 422 HG21 ILE 60 HG21 ILE 60 5.511 18.074 -1.115 423 HG22 ILE 60 HG22 ILE 60 6.070 16.852 0.028 424 HG23 ILE 60 HG23 ILE 60 4.344 17.167 -0.152 425 HD11 ILE 60 HD11 ILE 60 3.560 17.622 3.405 426 HD12 ILE 60 HD12 ILE 60 3.467 17.256 1.682 427 HD13 ILE 60 HD13 ILE 60 4.360 16.187 2.763 428 H LYS 61 H LYS 61 5.577 21.691 0.175 429 HA LYS 61 HA LYS 61 6.719 23.504 1.916 430 HB2 LYS 61 HB2 LYS 61 5.329 24.178 0.025 431 HB3 LYS 61 HB3 LYS 61 3.905 23.502 0.807 432 HG2 LYS 61 HG2 LYS 61 3.953 25.916 1.027 433 HG3 LYS 61 HG3 LYS 61 4.109 25.140 2.606 434 HD2 LYS 61 HD2 LYS 61 6.518 25.503 2.561 435 HD3 LYS 61 HD3 LYS 61 6.392 26.231 0.958 436 HE2 LYS 61 HE2 LYS 61 4.808 27.913 2.018 437 HE3 LYS 61 HE3 LYS 61 5.346 27.284 3.574 438 HZ1 LYS 61 HZ1 LYS 61 6.606 29.240 2.921 439 HZ2 LYS 61 HZ2 LYS 61 7.612 27.882 2.995 440 HZ3 LYS 61 HZ3 LYS 61 7.102 28.476 1.495 441 H VAL 62 H VAL 62 6.514 23.988 4.016 442 HA VAL 62 HA VAL 62 4.287 22.778 5.517 443 HB VAL 62 HB VAL 62 5.962 22.607 7.452 444 HG11 VAL 62 HG11 VAL 62 6.997 20.478 6.137 445 HG12 VAL 62 HG12 VAL 62 5.384 20.518 6.848 446 HG13 VAL 62 HG13 VAL 62 5.598 20.845 5.128 447 HG21 VAL 62 HG21 VAL 62 7.651 23.854 5.708 448 HG22 VAL 62 HG22 VAL 62 8.157 22.940 7.129 449 HG23 VAL 62 HG23 VAL 62 8.138 22.167 5.544 450 HA PRO 63 HA PRO 63 3.595 26.732 7.295 451 HB2 PRO 63 HB2 PRO 63 2.761 26.065 9.791 452 HB3 PRO 63 HB3 PRO 63 1.771 25.813 8.348 453 HG2 PRO 63 HG2 PRO 63 3.462 23.852 9.851 454 HG3 PRO 63 HG3 PRO 63 1.834 23.642 9.181 455 HD2 PRO 63 HD2 PRO 63 4.053 22.710 7.939 456 HD3 PRO 63 HD3 PRO 63 2.624 23.272 7.047 457 H GLY 64 H GLY 64 5.143 28.131 7.840 458 HA2 GLY 64 HA2 GLY 64 6.369 28.225 10.348 459 HA3 GLY 64 HA3 GLY 64 7.489 27.434 9.249 460 H LYS 65 H LYS 65 8.903 28.729 8.304 461 HA LYS 65 HA LYS 65 8.124 31.304 7.268 462 HB2 LYS 65 HB2 LYS 65 9.322 31.113 9.867 463 HB3 LYS 65 HB3 LYS 65 10.448 31.903 8.771 464 HG2 LYS 65 HG2 LYS 65 7.986 33.086 8.237 465 HG3 LYS 65 HG3 LYS 65 8.048 32.923 9.994 466 HD2 LYS 65 HD2 LYS 65 10.466 33.875 9.700 467 HD3 LYS 65 HD3 LYS 65 9.834 34.467 8.162 468 HE2 LYS 65 HE2 LYS 65 7.851 35.253 9.780 469 HE3 LYS 65 HE3 LYS 65 9.185 35.285 10.932 470 HZ1 LYS 65 HZ1 LYS 65 9.179 37.401 10.016 471 HZ2 LYS 65 HZ2 LYS 65 10.389 36.615 9.132 472 HZ3 LYS 65 HZ3 LYS 65 8.859 36.848 8.450 473 H CYS 66 H CYS 66 9.035 31.368 5.332 474 HA CYS 66 HA CYS 66 11.282 29.712 4.665 475 HB2 CYS 66 HB2 CYS 66 9.570 30.021 3.002 476 HB3 CYS 66 HB3 CYS 66 9.733 31.772 3.086 477 H HIS 67 H HIS 67 13.377 30.254 4.490 478 HA HIS 67 HA HIS 67 14.352 32.605 5.694 479 HB2 HIS 67 HB2 HIS 67 15.553 30.340 4.174 480 HB3 HIS 67 HB3 HIS 67 16.523 31.797 4.377 481 HD1 HIS 67 HD1 HIS 67 17.034 32.501 6.897 482 HD2 HIS 67 HD2 HIS 67 15.430 28.705 6.371 483 HE1 HIS 67 HE1 HIS 67 17.467 31.284 9.054 Start of MODEL 2 1 H1 GLY 1 H GLY 1 2.703 -2.087 -0.866 2 HA2 GLY 1 HA2 GLY 1 1.109 -0.505 -1.911 3 HA3 GLY 1 HA3 GLY 1 1.250 -0.213 -0.184 4 H GLU 2 H GLU 2 1.885 0.994 -3.355 5 HA GLU 2 HA GLU 2 3.539 3.185 -2.523 6 HB2 GLU 2 HB2 GLU 2 3.359 2.058 -4.863 7 HB3 GLU 2 HB3 GLU 2 1.991 3.137 -5.094 8 HG2 GLU 2 HG2 GLU 2 3.333 5.052 -4.951 9 HG3 GLU 2 HG3 GLU 2 4.682 4.157 -4.256 10 H GLU 3 H GLU 3 2.936 5.448 -2.747 11 HA GLU 3 HA GLU 3 0.176 6.197 -2.844 12 HB2 GLU 3 HB2 GLU 3 0.082 7.122 -0.540 13 HB3 GLU 3 HB3 GLU 3 0.168 5.366 -0.579 14 HG2 GLU 3 HG2 GLU 3 2.739 5.796 -0.332 15 HG3 GLU 3 HG3 GLU 3 2.199 7.345 0.315 16 H VAL 4 H VAL 4 0.100 8.153 -3.722 17 HA VAL 4 HA VAL 4 2.199 10.100 -3.094 18 HB VAL 4 HB VAL 4 2.192 10.777 -5.542 19 HG11 VAL 4 HG11 VAL 4 3.492 8.436 -4.313 20 HG12 VAL 4 HG12 VAL 4 3.594 8.537 -6.071 21 HG13 VAL 4 HG13 VAL 4 4.200 9.861 -5.075 22 HG21 VAL 4 HG21 VAL 4 1.630 8.975 -7.145 23 HG22 VAL 4 HG22 VAL 4 0.944 8.044 -5.814 24 HG23 VAL 4 HG23 VAL 4 0.223 9.586 -6.274 25 H ARG 5 H ARG 5 1.614 12.311 -3.646 26 HA ARG 5 HA ARG 5 -1.176 12.835 -4.255 27 HB2 ARG 5 HB2 ARG 5 -1.737 13.928 -2.261 28 HB3 ARG 5 HB3 ARG 5 -0.900 12.477 -1.725 29 HG2 ARG 5 HG2 ARG 5 0.355 15.203 -1.965 30 HG3 ARG 5 HG3 ARG 5 -0.244 14.486 -0.468 31 HD2 ARG 5 HD2 ARG 5 1.344 12.510 -1.172 32 HD3 ARG 5 HD3 ARG 5 2.148 13.778 -2.096 33 HE ARG 5 HE ARG 5 3.027 14.541 -0.142 34 HH11 ARG 5 HH11 ARG 5 0.148 12.725 0.585 35 HH12 ARG 5 HH12 ARG 5 0.337 12.865 2.303 36 HH21 ARG 5 HH21 ARG 5 3.287 14.732 2.116 37 HH22 ARG 5 HH22 ARG 5 2.122 14.007 3.172 38 H ASP 6 H ASP 6 -1.492 14.789 -5.214 39 HA ASP 6 HA ASP 6 0.819 16.201 -6.130 40 HB2 ASP 6 HB2 ASP 6 -0.864 17.697 -7.229 41 HB3 ASP 6 HB3 ASP 6 -1.055 15.991 -7.622 42 H ALA 7 H ALA 7 1.912 17.496 -4.804 43 HA ALA 7 HA ALA 7 0.429 19.568 -3.355 44 HB1 ALA 7 HB1 ALA 7 1.791 17.370 -2.123 45 HB2 ALA 7 HB2 ALA 7 2.585 18.883 -1.689 46 HB3 ALA 7 HB3 ALA 7 0.864 18.669 -1.374 47 H TYR 8 H TYR 8 1.853 21.351 -2.623 48 HA TYR 8 HA TYR 8 3.585 22.151 -4.747 49 HB2 TYR 8 HB2 TYR 8 2.486 23.374 -2.291 50 HB3 TYR 8 HB3 TYR 8 4.031 24.018 -2.833 51 HD1 TYR 8 HD1 TYR 8 0.529 24.239 -3.181 52 HD2 TYR 8 HD2 TYR 8 4.151 24.658 -5.374 53 HE1 TYR 8 HE1 TYR 8 -0.641 25.634 -4.834 54 HE2 TYR 8 HE2 TYR 8 2.991 26.054 -7.033 55 HH TYR 8 HH TYR 8 -0.390 26.994 -6.603 56 H ILE 9 H ILE 9 5.509 21.188 -4.948 57 HA ILE 9 HA ILE 9 7.012 20.085 -2.838 58 HB ILE 9 HB ILE 9 7.243 19.480 -5.261 59 HG12 ILE 9 HG12 ILE 9 9.787 20.261 -3.819 60 HG13 ILE 9 HG13 ILE 9 8.887 18.768 -3.576 61 HG21 ILE 9 HG21 ILE 9 7.711 22.202 -5.565 62 HG22 ILE 9 HG22 ILE 9 9.280 21.445 -5.840 63 HG23 ILE 9 HG23 ILE 9 7.884 20.954 -6.799 64 HD11 ILE 9 HD11 ILE 9 9.496 19.083 -6.352 65 HD12 ILE 9 HD12 ILE 9 10.963 19.253 -5.388 66 HD13 ILE 9 HD13 ILE 9 9.972 17.801 -5.239 67 H ALA 10 H ALA 10 8.909 20.791 -1.830 68 HA ALA 10 HA ALA 10 9.743 23.557 -2.226 69 HB1 ALA 10 HB1 ALA 10 9.711 23.679 0.414 70 HB2 ALA 10 HB2 ALA 10 8.301 24.120 -0.550 71 HB3 ALA 10 HB3 ALA 10 8.388 22.531 0.211 72 H GLN 11 H GLN 11 11.881 23.865 -1.888 73 HA GLN 11 HA GLN 11 13.664 21.768 -1.844 74 HB2 GLN 11 HB2 GLN 11 15.334 23.534 -1.010 75 HB3 GLN 11 HB3 GLN 11 14.521 23.833 -2.542 76 HG2 GLN 11 HG2 GLN 11 13.021 25.387 -1.521 77 HG3 GLN 11 HG3 GLN 11 13.619 24.980 0.087 78 HE21 GLN 11 HE21 GLN 11 14.179 26.760 -2.811 79 HE22 GLN 11 HE22 GLN 11 15.547 27.655 -2.253 80 HA PRO 12 HA PRO 12 14.028 20.306 2.275 81 HB2 PRO 12 HB2 PRO 12 16.685 19.777 2.450 82 HB3 PRO 12 HB3 PRO 12 15.571 18.796 1.490 83 HG2 PRO 12 HG2 PRO 12 17.434 20.964 0.599 84 HG3 PRO 12 HG3 PRO 12 17.105 19.392 -0.153 85 HD2 PRO 12 HD2 PRO 12 15.993 21.695 -1.043 86 HD3 PRO 12 HD3 PRO 12 15.157 20.132 -1.140 87 H HIS 13 H HIS 13 15.535 23.190 1.309 88 HA HIS 13 HA HIS 13 16.566 23.789 3.975 89 HB2 HIS 13 HB2 HIS 13 17.551 24.402 1.515 90 HB3 HIS 13 HB3 HIS 13 16.674 25.880 1.895 91 HD1 HIS 13 HD1 HIS 13 17.934 27.541 3.228 92 HD2 HIS 13 HD2 HIS 13 19.458 23.704 3.692 93 HE1 HIS 13 HE1 HIS 13 19.984 27.800 4.661 94 H ASN 14 H ASN 14 13.723 23.504 3.591 95 HA ASN 14 HA ASN 14 11.743 24.552 4.018 96 HB2 ASN 14 HB2 ASN 14 13.119 24.901 6.145 97 HB3 ASN 14 HB3 ASN 14 13.383 26.547 5.576 98 HD21 ASN 14 HD21 ASN 14 10.563 24.397 5.557 99 HD22 ASN 14 HD22 ASN 14 9.510 25.490 6.384 100 H CYS 15 H CYS 15 11.746 25.193 1.706 101 HA CYS 15 HA CYS 15 10.980 27.891 1.418 102 HB2 CYS 15 HB2 CYS 15 13.774 27.404 1.104 103 HB3 CYS 15 HB3 CYS 15 13.103 27.790 -0.478 104 H VAL 16 H VAL 16 10.485 28.432 -0.896 105 HA VAL 16 HA VAL 16 9.346 26.081 -2.170 106 HB VAL 16 HB VAL 16 8.248 27.722 -3.685 107 HG11 VAL 16 HG11 VAL 16 6.700 28.589 -2.033 108 HG12 VAL 16 HG12 VAL 16 7.173 26.942 -1.613 109 HG13 VAL 16 HG13 VAL 16 7.877 28.309 -0.749 110 HG21 VAL 16 HG21 VAL 16 8.612 30.102 -2.211 111 HG22 VAL 16 HG22 VAL 16 10.217 29.466 -2.571 112 HG23 VAL 16 HG23 VAL 16 9.076 29.773 -3.881 113 H TYR 17 H TYR 17 10.105 25.138 -3.959 114 HA TYR 17 HA TYR 17 12.653 25.655 -4.960 115 HB2 TYR 17 HB2 TYR 17 10.352 23.979 -5.791 116 HB3 TYR 17 HB3 TYR 17 11.554 24.324 -7.030 117 HD1 TYR 17 HD1 TYR 17 14.045 23.896 -6.323 118 HD2 TYR 17 HD2 TYR 17 10.675 22.171 -4.381 119 HE1 TYR 17 HE1 TYR 17 15.482 22.111 -5.430 120 HE2 TYR 17 HE2 TYR 17 12.103 20.382 -3.481 121 HH TYR 17 HH TYR 17 15.593 20.311 -4.136 122 H HIS 18 H HIS 18 13.128 27.635 -5.734 123 HA HIS 18 HA HIS 18 11.342 29.166 -7.350 124 HB2 HIS 18 HB2 HIS 18 12.948 30.316 -5.962 125 HB3 HIS 18 HB3 HIS 18 14.288 29.488 -6.750 126 HD1 HIS 18 HD1 HIS 18 11.670 32.120 -7.433 127 HD2 HIS 18 HD2 HIS 18 15.229 30.693 -9.032 128 HE1 HIS 18 HE1 HIS 18 12.297 33.752 -9.241 129 H CYS 19 H CYS 19 10.808 28.434 -9.313 130 HA CYS 19 HA CYS 19 12.933 27.359 -11.039 131 HB2 CYS 19 HB2 CYS 19 11.164 26.296 -12.331 132 HB3 CYS 19 HB3 CYS 19 11.005 25.866 -10.631 133 H PHE 20 H PHE 20 13.385 28.263 -12.991 134 HA PHE 20 HA PHE 20 12.706 30.976 -13.407 135 HB2 PHE 20 HB2 PHE 20 14.006 28.961 -15.248 136 HB3 PHE 20 HB3 PHE 20 13.886 30.683 -15.593 137 HD1 PHE 20 HD1 PHE 20 14.598 32.051 -13.239 138 HD2 PHE 20 HD2 PHE 20 16.145 28.366 -14.705 139 HE1 PHE 20 HE1 PHE 20 16.690 32.443 -12.004 140 HE2 PHE 20 HE2 PHE 20 18.240 28.752 -13.472 141 HZ PHE 20 HZ PHE 20 18.515 30.793 -12.121 142 H ARG 21 H ARG 21 11.619 27.969 -14.921 143 HA ARG 21 HA ARG 21 9.170 29.271 -15.756 144 HB2 ARG 21 HB2 ARG 21 9.441 28.376 -18.114 145 HB3 ARG 21 HB3 ARG 21 10.428 29.770 -17.698 146 HG2 ARG 21 HG2 ARG 21 12.371 28.390 -17.434 147 HG3 ARG 21 HG3 ARG 21 11.409 26.926 -17.648 148 HD2 ARG 21 HD2 ARG 21 10.865 27.633 -19.933 149 HD3 ARG 21 HD3 ARG 21 11.849 29.080 -19.714 150 HE ARG 21 HE ARG 21 13.357 26.732 -19.194 151 HH11 ARG 21 HH11 ARG 21 12.030 28.650 -21.779 152 HH12 ARG 21 HH12 ARG 21 13.224 28.158 -22.932 153 HH21 ARG 21 HH21 ARG 21 14.936 26.076 -20.704 154 HH22 ARG 21 HH22 ARG 21 14.876 26.693 -22.320 155 H ASP 22 H ASP 22 7.663 27.650 -16.800 156 HA ASP 22 HA ASP 22 7.218 25.498 -15.131 157 HB2 ASP 22 HB2 ASP 22 6.358 25.871 -18.007 158 HB3 ASP 22 HB3 ASP 22 5.708 24.640 -16.928 159 H SER 23 H SER 23 9.105 25.651 -18.091 160 HA SER 23 HA SER 23 9.453 22.928 -18.568 161 HB2 SER 23 HB2 SER 23 11.214 25.312 -19.133 162 HB3 SER 23 HB3 SER 23 11.657 23.680 -19.635 163 HG SER 23 HG SER 23 10.224 25.285 -21.001 164 H TYR 24 H TYR 24 11.109 25.092 -16.348 165 HA TYR 24 HA TYR 24 13.201 23.323 -15.637 166 HB2 TYR 24 HB2 TYR 24 13.242 25.772 -15.220 167 HB3 TYR 24 HB3 TYR 24 12.003 25.559 -13.989 168 HD1 TYR 24 HD1 TYR 24 12.536 24.395 -11.882 169 HD2 TYR 24 HD2 TYR 24 15.533 25.208 -14.790 170 HE1 TYR 24 HE1 TYR 24 14.278 23.974 -10.196 171 HE2 TYR 24 HE2 TYR 24 17.283 24.788 -13.113 172 HH TYR 24 HH TYR 24 16.799 24.777 -9.916 173 H CYS 25 H CYS 25 10.263 24.236 -13.829 174 HA CYS 25 HA CYS 25 10.539 22.331 -11.801 175 HB2 CYS 25 HB2 CYS 25 9.021 24.169 -11.509 176 HB3 CYS 25 HB3 CYS 25 8.082 23.688 -12.919 177 H ASN 26 H ASN 26 9.120 22.109 -15.000 178 HA ASN 26 HA ASN 26 7.672 19.751 -14.751 179 HB2 ASN 26 HB2 ASN 26 7.608 21.194 -16.748 180 HB3 ASN 26 HB3 ASN 26 9.250 20.701 -17.153 181 HD21 ASN 26 HD21 ASN 26 9.606 18.427 -17.600 182 HD22 ASN 26 HD22 ASN 26 8.337 17.503 -18.322 183 H ASP 27 H ASP 27 11.026 20.101 -15.916 184 HA ASP 27 HA ASP 27 11.507 17.285 -15.854 185 HB2 ASP 27 HB2 ASP 27 12.692 19.313 -17.165 186 HB3 ASP 27 HB3 ASP 27 13.808 19.159 -15.811 187 H LEU 28 H LEU 28 12.173 19.981 -13.694 188 HA LEU 28 HA LEU 28 13.940 18.751 -11.932 189 HB2 LEU 28 HB2 LEU 28 13.693 21.031 -11.627 190 HB3 LEU 28 HB3 LEU 28 11.932 20.946 -11.663 191 HG LEU 28 HG LEU 28 11.912 20.003 -9.421 192 HD11 LEU 28 HD11 LEU 28 14.586 20.488 -8.594 193 HD12 LEU 28 HD12 LEU 28 13.679 18.975 -8.573 194 HD13 LEU 28 HD13 LEU 28 14.624 19.418 -9.995 195 HD21 LEU 28 HD21 LEU 28 13.741 22.289 -9.040 196 HD22 LEU 28 HD22 LEU 28 12.325 22.580 -10.052 197 HD23 LEU 28 HD23 LEU 28 12.124 22.006 -8.396 198 H CYS 29 H CYS 29 10.448 18.540 -12.172 199 HA CYS 29 HA CYS 29 10.051 17.215 -9.682 200 HB2 CYS 29 HB2 CYS 29 8.369 17.598 -12.145 201 HB3 CYS 29 HB3 CYS 29 7.827 16.553 -10.835 202 H ILE 30 H ILE 30 10.629 16.150 -12.982 203 HA ILE 30 HA ILE 30 10.018 13.441 -12.700 204 HB ILE 30 HB ILE 30 12.184 14.639 -14.431 205 HG12 ILE 30 HG12 ILE 30 9.312 14.037 -15.158 206 HG13 ILE 30 HG13 ILE 30 9.888 15.638 -14.707 207 HG21 ILE 30 HG21 ILE 30 11.176 11.936 -14.073 208 HG22 ILE 30 HG22 ILE 30 11.090 12.481 -15.748 209 HG23 ILE 30 HG23 ILE 30 12.631 12.503 -14.891 210 HD11 ILE 30 HD11 ILE 30 10.574 14.022 -17.133 211 HD12 ILE 30 HD12 ILE 30 9.852 15.628 -17.041 212 HD13 ILE 30 HD13 ILE 30 11.548 15.398 -16.616 213 H LYS 31 H LYS 31 13.000 15.207 -12.009 214 HA LYS 31 HA LYS 31 14.637 12.992 -11.464 215 HB2 LYS 31 HB2 LYS 31 15.393 15.369 -11.797 216 HB3 LYS 31 HB3 LYS 31 14.823 15.715 -10.169 217 HG2 LYS 31 HG2 LYS 31 16.634 14.820 -9.227 218 HG3 LYS 31 HG3 LYS 31 16.603 13.413 -10.292 219 HD2 LYS 31 HD2 LYS 31 17.770 14.575 -12.002 220 HD3 LYS 31 HD3 LYS 31 17.560 16.126 -11.184 221 HE2 LYS 31 HE2 LYS 31 19.074 15.517 -9.460 222 HE3 LYS 31 HE3 LYS 31 19.098 13.833 -9.983 223 HZ1 LYS 31 HZ1 LYS 31 20.089 16.075 -11.654 224 HZ2 LYS 31 HZ2 LYS 31 21.084 15.164 -10.633 225 HZ3 LYS 31 HZ3 LYS 31 20.293 14.417 -11.929 226 H HIS 32 H HIS 32 12.496 14.888 -9.387 227 HA HIS 32 HA HIS 32 13.214 13.607 -6.963 228 HB2 HIS 32 HB2 HIS 32 10.834 15.242 -7.815 229 HB3 HIS 32 HB3 HIS 32 10.931 14.528 -6.208 230 HD1 HIS 32 HD1 HIS 32 11.557 16.308 -4.622 231 HD2 HIS 32 HD2 HIS 32 13.632 16.644 -8.206 232 HE1 HIS 32 HE1 HIS 32 13.123 18.251 -4.312 233 H GLY 33 H GLY 33 10.970 12.840 -9.522 234 HA2 GLY 33 HA2 GLY 33 10.472 10.431 -9.745 235 HA3 GLY 33 HA3 GLY 33 10.178 10.425 -8.012 236 H ALA 34 H ALA 34 9.111 12.986 -10.156 237 HA ALA 34 HA ALA 34 6.332 12.193 -9.593 238 HB1 ALA 34 HB1 ALA 34 7.621 14.615 -9.130 239 HB2 ALA 34 HB2 ALA 34 6.617 14.903 -10.551 240 HB3 ALA 34 HB3 ALA 34 5.886 14.307 -9.061 241 H GLU 35 H GLU 35 4.736 12.790 -11.280 242 HA GLU 35 HA GLU 35 5.479 11.698 -13.781 243 HB2 GLU 35 HB2 GLU 35 3.062 12.504 -12.465 244 HB3 GLU 35 HB3 GLU 35 3.077 13.165 -14.094 245 HG2 GLU 35 HG2 GLU 35 3.497 10.917 -14.986 246 HG3 GLU 35 HG3 GLU 35 3.421 10.269 -13.348 247 H SER 36 H SER 36 4.672 15.016 -12.787 248 HA SER 36 HA SER 36 6.465 16.103 -14.756 249 HB2 SER 36 HB2 SER 36 4.972 17.081 -16.224 250 HB3 SER 36 HB3 SER 36 4.111 15.588 -15.847 251 HG SER 36 HG SER 36 3.360 18.126 -15.403 252 H GLY 37 H GLY 37 5.813 18.687 -14.831 253 HA2 GLY 37 HA2 GLY 37 5.054 19.646 -12.201 254 HA3 GLY 37 HA3 GLY 37 6.752 19.862 -12.602 255 H GLU 38 H GLU 38 4.638 21.855 -12.112 256 HA GLU 38 HA GLU 38 5.131 23.464 -14.488 257 HB2 GLU 38 HB2 GLU 38 2.744 24.168 -14.602 258 HB3 GLU 38 HB3 GLU 38 3.004 22.484 -15.038 259 HG2 GLU 38 HG2 GLU 38 2.361 21.891 -12.679 260 HG3 GLU 38 HG3 GLU 38 1.860 23.569 -12.483 261 H CYS 39 H CYS 39 5.215 25.650 -14.092 262 HA CYS 39 HA CYS 39 5.531 26.415 -11.334 263 HB2 CYS 39 HB2 CYS 39 5.859 27.879 -13.950 264 HB3 CYS 39 HB3 CYS 39 6.026 28.690 -12.396 265 H LYS 40 H LYS 40 4.371 28.012 -10.227 266 HA LYS 40 HA LYS 40 1.981 29.133 -11.423 267 HB2 LYS 40 HB2 LYS 40 1.930 26.916 -9.447 268 HB3 LYS 40 HB3 LYS 40 0.781 28.225 -9.200 269 HG2 LYS 40 HG2 LYS 40 -0.558 27.216 -10.646 270 HG3 LYS 40 HG3 LYS 40 0.607 27.608 -11.914 271 HD2 LYS 40 HD2 LYS 40 1.410 25.495 -12.011 272 HD3 LYS 40 HD3 LYS 40 1.229 25.234 -10.274 273 HE2 LYS 40 HE2 LYS 40 -1.131 25.374 -12.130 274 HE3 LYS 40 HE3 LYS 40 -0.264 23.868 -11.829 275 HZ1 LYS 40 HZ1 LYS 40 -0.740 24.894 -9.342 276 HZ2 LYS 40 HZ2 LYS 40 -2.169 25.219 -10.187 277 HZ3 LYS 40 HZ3 LYS 40 -1.591 23.632 -10.081 278 H TRP 41 H TRP 41 1.912 31.179 -10.797 279 HA TRP 41 HA TRP 41 3.441 32.078 -8.522 280 HB2 TRP 41 HB2 TRP 41 3.144 33.287 -10.786 281 HB3 TRP 41 HB3 TRP 41 1.584 33.801 -10.146 282 HD1 TRP 41 HD1 TRP 41 5.198 33.803 -8.689 283 HE1 TRP 41 HE1 TRP 41 5.611 36.111 -7.629 284 HE3 TRP 41 HE3 TRP 41 0.685 35.981 -9.705 285 HZ2 TRP 41 HZ2 TRP 41 4.209 38.535 -7.271 286 HZ3 TRP 41 HZ3 TRP 41 0.302 38.298 -8.970 287 HH2 TRP 41 HH2 TRP 41 2.028 39.547 -7.777 288 H PHE 42 H PHE 42 2.325 31.066 -6.795 289 HA PHE 42 HA PHE 42 -0.446 31.787 -6.320 290 HB2 PHE 42 HB2 PHE 42 0.480 29.501 -5.810 291 HB3 PHE 42 HB3 PHE 42 1.412 30.236 -4.510 292 HD1 PHE 42 HD1 PHE 42 -2.123 30.362 -5.716 293 HD2 PHE 42 HD2 PHE 42 0.539 29.914 -2.425 294 HE1 PHE 42 HE1 PHE 42 -4.044 30.107 -4.201 295 HE2 PHE 42 HE2 PHE 42 -1.379 29.657 -0.904 296 HZ PHE 42 HZ PHE 42 -3.674 29.754 -1.791 297 H THR 43 H THR 43 2.748 32.543 -5.069 298 HA THR 43 HA THR 43 1.525 34.618 -3.369 299 HB THR 43 HB THR 43 4.239 33.873 -2.603 300 HG1 THR 43 HG1 THR 43 3.953 31.782 -2.612 301 HG21 THR 43 HG21 THR 43 2.815 33.504 -0.401 302 HG22 THR 43 HG22 THR 43 3.179 35.123 -1.000 303 HG23 THR 43 HG23 THR 43 1.604 34.398 -1.320 304 H SER 44 H SER 44 3.177 36.398 -2.842 305 HA SER 44 HA SER 44 4.205 37.371 -5.380 306 HB2 SER 44 HB2 SER 44 4.342 39.516 -4.336 307 HB3 SER 44 HB3 SER 44 2.832 38.791 -3.789 308 HG SER 44 HG SER 44 3.843 39.601 -1.997 309 H SER 45 H SER 45 5.514 35.192 -3.752 310 HA SER 45 HA SER 45 8.118 36.466 -3.262 311 HB2 SER 45 HB2 SER 45 6.945 35.030 -1.470 312 HB3 SER 45 HB3 SER 45 7.393 33.650 -2.472 313 HG SER 45 HG SER 45 9.432 33.906 -1.935 314 H GLY 46 H GLY 46 6.749 35.428 -5.844 315 HA2 GLY 46 HA2 GLY 46 8.110 34.986 -7.795 316 HA3 GLY 46 HA3 GLY 46 9.132 33.969 -6.790 317 H ASN 47 H ASN 47 8.097 33.103 -9.225 318 HA ASN 47 HA ASN 47 5.702 31.613 -8.934 319 HB2 ASN 47 HB2 ASN 47 7.975 31.131 -10.872 320 HB3 ASN 47 HB3 ASN 47 6.320 30.553 -11.035 321 HD21 ASN 47 HD21 ASN 47 5.011 31.726 -12.232 322 HD22 ASN 47 HD22 ASN 47 5.234 33.386 -12.655 323 H ALA 48 H ALA 48 5.360 29.789 -7.861 324 HA ALA 48 HA ALA 48 7.615 28.308 -6.780 325 HB1 ALA 48 HB1 ALA 48 4.800 27.468 -6.309 326 HB2 ALA 48 HB2 ALA 48 6.179 27.467 -5.210 327 HB3 ALA 48 HB3 ALA 48 5.359 28.981 -5.597 328 H CYS 49 H CYS 49 7.579 25.912 -6.839 329 HA CYS 49 HA CYS 49 6.878 25.001 -9.538 330 HB2 CYS 49 HB2 CYS 49 9.211 24.729 -9.050 331 HB3 CYS 49 HB3 CYS 49 8.856 23.962 -7.506 332 H TRP 50 H TRP 50 5.164 23.744 -9.788 333 HA TRP 50 HA TRP 50 4.102 22.318 -7.452 334 HB2 TRP 50 HB2 TRP 50 2.486 23.797 -8.432 335 HB3 TRP 50 HB3 TRP 50 2.809 23.169 -10.046 336 HD1 TRP 50 HD1 TRP 50 1.765 20.768 -10.661 337 HE1 TRP 50 HE1 TRP 50 -0.205 19.456 -9.648 338 HE3 TRP 50 HE3 TRP 50 1.279 23.310 -6.251 339 HZ2 TRP 50 HZ2 TRP 50 -1.760 19.495 -7.291 340 HZ3 TRP 50 HZ3 TRP 50 -0.475 22.611 -4.673 341 HH2 TRP 50 HH2 TRP 50 -1.962 20.743 -5.185 342 H CYS 51 H CYS 51 4.269 20.181 -7.330 343 HA CYS 51 HA CYS 51 5.031 18.701 -9.755 344 HB2 CYS 51 HB2 CYS 51 5.558 18.213 -6.830 345 HB3 CYS 51 HB3 CYS 51 5.747 16.935 -8.026 346 H VAL 52 H VAL 52 4.047 16.707 -10.227 347 HA VAL 52 HA VAL 52 1.349 16.437 -9.101 348 HB VAL 52 HB VAL 52 2.488 15.306 -11.661 349 HG11 VAL 52 HG11 VAL 52 -0.036 14.853 -10.207 350 HG12 VAL 52 HG12 VAL 52 -0.181 15.123 -11.944 351 HG13 VAL 52 HG13 VAL 52 0.828 13.811 -11.336 352 HG21 VAL 52 HG21 VAL 52 1.589 17.895 -11.071 353 HG22 VAL 52 HG22 VAL 52 1.916 17.207 -12.661 354 HG23 VAL 52 HG23 VAL 52 0.290 17.126 -11.982 355 H LYS 53 H LYS 53 0.574 14.481 -8.342 356 HA LYS 53 HA LYS 53 0.827 12.635 -6.988 357 HB2 LYS 53 HB2 LYS 53 1.440 10.653 -8.256 358 HB3 LYS 53 HB3 LYS 53 0.450 11.718 -9.245 359 HG2 LYS 53 HG2 LYS 53 2.216 12.309 -10.613 360 HG3 LYS 53 HG3 LYS 53 3.428 11.861 -9.411 361 HD2 LYS 53 HD2 LYS 53 1.816 9.584 -10.125 362 HD3 LYS 53 HD3 LYS 53 2.517 10.323 -11.565 363 HE2 LYS 53 HE2 LYS 53 4.684 10.351 -10.044 364 HE3 LYS 53 HE3 LYS 53 3.849 9.018 -9.248 365 HZ1 LYS 53 HZ1 LYS 53 3.699 7.887 -11.375 366 HZ2 LYS 53 HZ2 LYS 53 4.489 9.170 -12.146 367 HZ3 LYS 53 HZ3 LYS 53 5.312 8.232 -11.003 368 H LEU 54 H LEU 54 2.816 14.466 -6.370 369 HA LEU 54 HA LEU 54 5.424 13.364 -6.429 370 HB2 LEU 54 HB2 LEU 54 4.552 15.791 -5.929 371 HB3 LEU 54 HB3 LEU 54 4.558 15.219 -4.261 372 HG LEU 54 HG LEU 54 6.956 14.752 -4.432 373 HD11 LEU 54 HD11 LEU 54 7.941 14.518 -6.402 374 HD12 LEU 54 HD12 LEU 54 6.446 14.977 -7.218 375 HD13 LEU 54 HD13 LEU 54 7.620 16.214 -6.767 376 HD21 LEU 54 HD21 LEU 54 5.765 17.171 -4.109 377 HD22 LEU 54 HD22 LEU 54 7.488 16.865 -3.892 378 HD23 LEU 54 HD23 LEU 54 6.893 17.515 -5.420 379 HA PRO 55 HA PRO 55 5.004 10.274 -3.291 380 HB2 PRO 55 HB2 PRO 55 7.651 9.785 -2.933 381 HB3 PRO 55 HB3 PRO 55 6.748 9.207 -4.339 382 HG2 PRO 55 HG2 PRO 55 8.535 11.596 -4.085 383 HG3 PRO 55 HG3 PRO 55 8.428 10.413 -5.402 384 HD2 PRO 55 HD2 PRO 55 7.262 12.854 -5.537 385 HD3 PRO 55 HD3 PRO 55 6.571 11.421 -6.325 386 H LYS 56 H LYS 56 5.081 10.150 -1.085 387 HA LYS 56 HA LYS 56 5.339 12.477 0.426 388 HB2 LYS 56 HB2 LYS 56 5.295 9.562 1.165 389 HB3 LYS 56 HB3 LYS 56 5.476 10.808 2.393 390 HG2 LYS 56 HG2 LYS 56 3.350 11.757 1.836 391 HG3 LYS 56 HG3 LYS 56 3.187 10.685 0.443 392 HD2 LYS 56 HD2 LYS 56 2.850 8.800 1.788 393 HD3 LYS 56 HD3 LYS 56 3.506 9.595 3.221 394 HE2 LYS 56 HE2 LYS 56 1.038 10.646 1.893 395 HE3 LYS 56 HE3 LYS 56 0.941 9.277 3.000 396 HZ1 LYS 56 HZ1 LYS 56 2.365 10.922 4.477 397 HZ2 LYS 56 HZ2 LYS 56 1.541 12.078 3.555 398 HZ3 LYS 56 HZ3 LYS 56 0.673 10.953 4.475 399 H SER 57 H SER 57 7.690 10.026 -0.403 400 HA SER 57 HA SER 57 9.663 10.468 1.477 401 HB2 SER 57 HB2 SER 57 9.889 9.785 -1.457 402 HB3 SER 57 HB3 SER 57 11.272 9.794 -0.364 403 HG SER 57 HG SER 57 9.928 7.750 -0.752 404 H GLU 58 H GLU 58 8.854 12.359 -1.374 405 HA GLU 58 HA GLU 58 11.139 14.084 -1.156 406 HB2 GLU 58 HB2 GLU 58 8.585 14.323 -2.752 407 HB3 GLU 58 HB3 GLU 58 9.929 15.450 -2.868 408 HG2 GLU 58 HG2 GLU 58 10.177 12.505 -3.413 409 HG3 GLU 58 HG3 GLU 58 9.839 13.708 -4.655 410 HA PRO 59 HA PRO 59 9.676 17.041 1.738 411 HB2 PRO 59 HB2 PRO 59 10.766 19.326 0.759 412 HB3 PRO 59 HB3 PRO 59 11.724 18.065 1.546 413 HG2 PRO 59 HG2 PRO 59 11.328 18.599 -1.373 414 HG3 PRO 59 HG3 PRO 59 12.817 18.186 -0.503 415 HD2 PRO 59 HD2 PRO 59 11.402 16.362 -1.917 416 HD3 PRO 59 HD3 PRO 59 12.313 15.937 -0.454 417 H ILE 60 H ILE 60 8.295 18.889 2.027 418 HA ILE 60 HA ILE 60 6.875 19.896 -0.303 419 HB ILE 60 HB ILE 60 4.653 19.425 0.794 420 HG12 ILE 60 HG12 ILE 60 6.320 17.464 2.387 421 HG13 ILE 60 HG13 ILE 60 5.520 18.891 3.036 422 HG21 ILE 60 HG21 ILE 60 4.450 17.249 -0.174 423 HG22 ILE 60 HG22 ILE 60 5.587 18.176 -1.155 424 HG23 ILE 60 HG23 ILE 60 6.185 16.964 -0.023 425 HD11 ILE 60 HD11 ILE 60 3.549 17.404 1.696 426 HD12 ILE 60 HD12 ILE 60 4.489 16.264 2.657 427 HD13 ILE 60 HD13 ILE 60 3.734 17.657 3.431 428 H LYS 61 H LYS 61 5.870 21.867 0.031 429 HA LYS 61 HA LYS 61 6.936 23.600 1.901 430 HB2 LYS 61 HB2 LYS 61 5.846 24.431 -0.084 431 HB3 LYS 61 HB3 LYS 61 4.305 23.752 0.424 432 HG2 LYS 61 HG2 LYS 61 4.257 26.105 0.810 433 HG3 LYS 61 HG3 LYS 61 4.338 25.291 2.375 434 HD2 LYS 61 HD2 LYS 61 6.701 25.755 2.542 435 HD3 LYS 61 HD3 LYS 61 6.714 26.443 0.916 436 HE2 LYS 61 HE2 LYS 61 5.259 27.527 3.326 437 HE3 LYS 61 HE3 LYS 61 6.690 28.217 2.562 438 HZ1 LYS 61 HZ1 LYS 61 5.121 29.467 1.552 439 HZ2 LYS 61 HZ2 LYS 61 5.064 28.154 0.487 440 HZ3 LYS 61 HZ3 LYS 61 3.904 28.302 1.710 441 H VAL 62 H VAL 62 6.541 24.080 3.973 442 HA VAL 62 HA VAL 62 4.220 22.794 5.256 443 HB VAL 62 HB VAL 62 5.610 23.075 7.388 444 HG11 VAL 62 HG11 VAL 62 6.506 20.939 7.157 445 HG12 VAL 62 HG12 VAL 62 5.196 20.958 5.976 446 HG13 VAL 62 HG13 VAL 62 6.866 21.169 5.446 447 HG21 VAL 62 HG21 VAL 62 8.071 22.922 5.792 448 HG22 VAL 62 HG22 VAL 62 7.283 24.499 5.794 449 HG23 VAL 62 HG23 VAL 62 7.755 23.748 7.318 450 HA PRO 63 HA PRO 63 2.644 26.697 6.505 451 HB2 PRO 63 HB2 PRO 63 1.585 26.100 8.932 452 HB3 PRO 63 HB3 PRO 63 0.865 25.560 7.412 453 HG2 PRO 63 HG2 PRO 63 2.625 24.059 9.312 454 HG3 PRO 63 HG3 PRO 63 1.165 23.511 8.469 455 HD2 PRO 63 HD2 PRO 63 3.659 22.886 7.620 456 HD3 PRO 63 HD3 PRO 63 2.298 23.112 6.502 457 H GLY 64 H GLY 64 3.789 28.412 7.130 458 HA2 GLY 64 HA2 GLY 64 4.543 29.127 9.632 459 HA3 GLY 64 HA3 GLY 64 5.904 28.162 9.080 460 H LYS 65 H LYS 65 7.441 29.123 7.902 461 HA LYS 65 HA LYS 65 7.039 31.212 6.072 462 HB2 LYS 65 HB2 LYS 65 6.951 32.117 8.707 463 HB3 LYS 65 HB3 LYS 65 8.582 32.496 8.173 464 HG2 LYS 65 HG2 LYS 65 7.886 34.146 6.844 465 HG3 LYS 65 HG3 LYS 65 6.535 33.197 6.219 466 HD2 LYS 65 HD2 LYS 65 5.700 35.138 7.404 467 HD3 LYS 65 HD3 LYS 65 5.281 33.670 8.291 468 HE2 LYS 65 HE2 LYS 65 7.049 34.042 9.864 469 HE3 LYS 65 HE3 LYS 65 7.683 35.382 8.909 470 HZ1 LYS 65 HZ1 LYS 65 6.418 36.707 10.131 471 HZ2 LYS 65 HZ2 LYS 65 5.050 36.008 9.421 472 HZ3 LYS 65 HZ3 LYS 65 5.648 35.401 10.884 473 H CYS 66 H CYS 66 8.760 31.317 4.756 474 HA CYS 66 HA CYS 66 10.925 29.554 5.065 475 HB2 CYS 66 HB2 CYS 66 10.156 30.320 2.871 476 HB3 CYS 66 HB3 CYS 66 10.660 31.963 3.254 477 H HIS 67 H HIS 67 13.060 29.859 5.623 478 HA HIS 67 HA HIS 67 13.574 31.961 7.509 479 HB2 HIS 67 HB2 HIS 67 15.334 29.760 6.415 480 HB3 HIS 67 HB3 HIS 67 15.831 30.882 7.678 481 HD1 HIS 67 HD1 HIS 67 15.847 27.973 8.390 482 HD2 HIS 67 HD2 HIS 67 12.485 30.368 8.859 483 HE1 HIS 67 HE1 HIS 67 14.439 26.822 10.126 Start of MODEL 3 1 H1 GLY 1 H GLY 1 2.722 -1.534 -0.274 2 HA2 GLY 1 HA2 GLY 1 1.702 -0.868 -2.737 3 HA3 GLY 1 HA3 GLY 1 0.963 -0.392 -1.216 4 H GLU 2 H GLU 2 2.566 0.665 -4.017 5 HA GLU 2 HA GLU 2 3.778 3.030 -3.255 6 HB2 GLU 2 HB2 GLU 2 3.613 3.727 -5.513 7 HB3 GLU 2 HB3 GLU 2 3.742 1.974 -5.557 8 HG2 GLU 2 HG2 GLU 2 1.176 3.528 -5.791 9 HG3 GLU 2 HG3 GLU 2 2.084 2.849 -7.139 10 H GLU 3 H GLU 3 3.101 5.173 -3.082 11 HA GLU 3 HA GLU 3 0.308 5.858 -3.286 12 HB2 GLU 3 HB2 GLU 3 0.189 6.648 -0.898 13 HB3 GLU 3 HB3 GLU 3 0.194 4.902 -1.106 14 HG2 GLU 3 HG2 GLU 3 2.663 4.960 -0.650 15 HG3 GLU 3 HG3 GLU 3 2.460 6.652 -0.198 16 H VAL 4 H VAL 4 0.208 7.858 -4.051 17 HA VAL 4 HA VAL 4 2.209 9.827 -3.202 18 HB VAL 4 HB VAL 4 2.267 10.677 -5.592 19 HG11 VAL 4 HG11 VAL 4 3.655 8.428 -4.388 20 HG12 VAL 4 HG12 VAL 4 3.682 8.369 -6.151 21 HG13 VAL 4 HG13 VAL 4 4.294 9.791 -5.306 22 HG21 VAL 4 HG21 VAL 4 1.096 7.944 -6.100 23 HG22 VAL 4 HG22 VAL 4 0.369 9.503 -6.494 24 HG23 VAL 4 HG23 VAL 4 1.823 8.967 -7.338 25 H ARG 5 H ARG 5 1.548 12.022 -3.444 26 HA ARG 5 HA ARG 5 -1.276 12.460 -4.086 27 HB2 ARG 5 HB2 ARG 5 -1.802 13.493 -2.061 28 HB3 ARG 5 HB3 ARG 5 -0.841 12.106 -1.565 29 HG2 ARG 5 HG2 ARG 5 0.174 14.927 -1.851 30 HG3 ARG 5 HG3 ARG 5 -0.240 14.128 -0.333 31 HD2 ARG 5 HD2 ARG 5 1.462 12.322 -1.197 32 HD3 ARG 5 HD3 ARG 5 2.069 13.668 -2.161 33 HE ARG 5 HE ARG 5 3.034 14.490 -0.271 34 HH11 ARG 5 HH11 ARG 5 0.402 12.408 0.656 35 HH12 ARG 5 HH12 ARG 5 0.717 12.546 2.353 36 HH21 ARG 5 HH21 ARG 5 3.459 14.680 1.962 37 HH22 ARG 5 HH22 ARG 5 2.456 13.839 3.095 38 H ASP 6 H ASP 6 -1.805 14.643 -4.595 39 HA ASP 6 HA ASP 6 0.397 16.061 -5.819 40 HB2 ASP 6 HB2 ASP 6 -1.467 17.620 -6.572 41 HB3 ASP 6 HB3 ASP 6 -1.565 15.958 -7.147 42 H ALA 7 H ALA 7 1.527 17.598 -4.847 43 HA ALA 7 HA ALA 7 0.247 19.528 -3.120 44 HB1 ALA 7 HB1 ALA 7 1.419 17.263 -1.947 45 HB2 ALA 7 HB2 ALA 7 2.540 18.596 -1.672 46 HB3 ALA 7 HB3 ALA 7 0.863 18.731 -1.142 47 H TYR 8 H TYR 8 1.756 21.260 -2.460 48 HA TYR 8 HA TYR 8 3.455 21.971 -4.660 49 HB2 TYR 8 HB2 TYR 8 2.425 23.307 -2.218 50 HB3 TYR 8 HB3 TYR 8 3.938 23.925 -2.876 51 HD1 TYR 8 HD1 TYR 8 0.352 23.776 -3.264 52 HD2 TYR 8 HD2 TYR 8 3.989 24.770 -5.235 53 HE1 TYR 8 HE1 TYR 8 -0.911 25.076 -4.926 54 HE2 TYR 8 HE2 TYR 8 2.736 26.074 -6.902 55 HH TYR 8 HH TYR 8 -0.059 27.254 -6.593 56 H ILE 9 H ILE 9 5.405 21.088 -4.850 57 HA ILE 9 HA ILE 9 6.892 19.970 -2.734 58 HB ILE 9 HB ILE 9 7.142 19.420 -5.183 59 HG12 ILE 9 HG12 ILE 9 9.657 20.104 -3.645 60 HG13 ILE 9 HG13 ILE 9 8.728 18.617 -3.491 61 HG21 ILE 9 HG21 ILE 9 7.880 20.908 -6.666 62 HG22 ILE 9 HG22 ILE 9 7.644 22.131 -5.417 63 HG23 ILE 9 HG23 ILE 9 9.227 21.383 -5.631 64 HD11 ILE 9 HD11 ILE 9 9.879 17.704 -5.135 65 HD12 ILE 9 HD12 ILE 9 9.408 19.005 -6.229 66 HD13 ILE 9 HD13 ILE 9 10.858 19.168 -5.238 67 H ALA 10 H ALA 10 8.796 20.676 -1.719 68 HA ALA 10 HA ALA 10 9.621 23.446 -2.079 69 HB1 ALA 10 HB1 ALA 10 7.933 22.591 0.092 70 HB2 ALA 10 HB2 ALA 10 9.474 23.196 0.699 71 HB3 ALA 10 HB3 ALA 10 8.474 24.214 -0.338 72 H GLN 11 H GLN 11 11.747 23.767 -1.661 73 HA GLN 11 HA GLN 11 13.534 21.671 -1.594 74 HB2 GLN 11 HB2 GLN 11 15.174 23.435 -0.693 75 HB3 GLN 11 HB3 GLN 11 14.411 23.739 -2.248 76 HG2 GLN 11 HG2 GLN 11 12.897 25.300 -1.293 77 HG3 GLN 11 HG3 GLN 11 13.385 24.862 0.343 78 HE21 GLN 11 HE21 GLN 11 14.461 26.372 -2.641 79 HE22 GLN 11 HE22 GLN 11 15.676 27.364 -1.919 80 HA PRO 12 HA PRO 12 13.793 20.172 2.520 81 HB2 PRO 12 HB2 PRO 12 16.447 19.655 2.764 82 HB3 PRO 12 HB3 PRO 12 15.365 18.677 1.764 83 HG2 PRO 12 HG2 PRO 12 17.241 20.861 0.947 84 HG3 PRO 12 HG3 PRO 12 16.940 19.296 0.170 85 HD2 PRO 12 HD2 PRO 12 15.843 21.602 -0.728 86 HD3 PRO 12 HD3 PRO 12 15.018 20.035 -0.864 87 H HIS 13 H HIS 13 15.322 23.069 1.622 88 HA HIS 13 HA HIS 13 16.266 23.649 4.326 89 HB2 HIS 13 HB2 HIS 13 16.637 24.953 1.650 90 HB3 HIS 13 HB3 HIS 13 16.940 25.868 3.124 91 HD1 HIS 13 HD1 HIS 13 18.001 22.488 1.715 92 HD2 HIS 13 HD2 HIS 13 19.512 25.679 3.904 93 HE1 HIS 13 HE1 HIS 13 20.419 21.936 2.128 94 H ASN 14 H ASN 14 13.438 23.365 3.850 95 HA ASN 14 HA ASN 14 11.444 24.408 4.222 96 HB2 ASN 14 HB2 ASN 14 12.725 24.742 6.396 97 HB3 ASN 14 HB3 ASN 14 13.057 26.380 5.842 98 HD21 ASN 14 HD21 ASN 14 10.178 24.313 5.696 99 HD22 ASN 14 HD22 ASN 14 9.126 25.433 6.485 100 H CYS 15 H CYS 15 11.502 25.058 1.917 101 HA CYS 15 HA CYS 15 10.730 27.746 1.608 102 HB2 CYS 15 HB2 CYS 15 13.545 27.294 1.403 103 HB3 CYS 15 HB3 CYS 15 12.928 27.704 -0.194 104 H VAL 16 H VAL 16 10.358 28.299 -0.736 105 HA VAL 16 HA VAL 16 9.338 25.924 -2.083 106 HB VAL 16 HB VAL 16 8.132 27.470 -3.536 107 HG11 VAL 16 HG11 VAL 16 7.586 26.956 -0.935 108 HG12 VAL 16 HG12 VAL 16 7.576 28.719 -0.933 109 HG13 VAL 16 HG13 VAL 16 6.508 27.832 -2.020 110 HG21 VAL 16 HG21 VAL 16 9.677 29.271 -3.758 111 HG22 VAL 16 HG22 VAL 16 8.221 29.923 -3.004 112 HG23 VAL 16 HG23 VAL 16 9.649 29.589 -2.024 113 H TYR 17 H TYR 17 10.149 25.094 -3.914 114 HA TYR 17 HA TYR 17 12.720 25.751 -4.800 115 HB2 TYR 17 HB2 TYR 17 10.528 23.995 -5.771 116 HB3 TYR 17 HB3 TYR 17 11.793 24.403 -6.923 117 HD1 TYR 17 HD1 TYR 17 14.253 24.079 -6.023 118 HD2 TYR 17 HD2 TYR 17 10.821 22.150 -4.407 119 HE1 TYR 17 HE1 TYR 17 15.693 22.329 -5.067 120 HE2 TYR 17 HE2 TYR 17 12.252 20.396 -3.445 121 HH TYR 17 HH TYR 17 15.783 20.541 -3.739 122 H HIS 18 H HIS 18 13.214 27.679 -5.635 123 HA HIS 18 HA HIS 18 11.388 29.245 -7.167 124 HB2 HIS 18 HB2 HIS 18 13.291 30.110 -5.714 125 HB3 HIS 18 HB3 HIS 18 14.376 29.639 -7.019 126 HD1 HIS 18 HD1 HIS 18 14.766 31.352 -8.772 127 HD2 HIS 18 HD2 HIS 18 11.290 32.089 -6.619 128 HE1 HIS 18 HE1 HIS 18 13.919 33.569 -9.600 129 H CYS 19 H CYS 19 10.783 28.613 -9.137 130 HA CYS 19 HA CYS 19 12.808 27.473 -10.939 131 HB2 CYS 19 HB2 CYS 19 10.980 26.496 -12.188 132 HB3 CYS 19 HB3 CYS 19 10.795 26.086 -10.486 133 H PHE 20 H PHE 20 13.245 28.386 -12.892 134 HA PHE 20 HA PHE 20 12.537 31.140 -13.241 135 HB2 PHE 20 HB2 PHE 20 14.166 29.202 -14.879 136 HB3 PHE 20 HB3 PHE 20 13.867 30.856 -15.401 137 HD1 PHE 20 HD1 PHE 20 14.181 32.490 -13.116 138 HD2 PHE 20 HD2 PHE 20 16.322 28.961 -14.151 139 HE1 PHE 20 HE1 PHE 20 16.093 33.260 -11.772 140 HE2 PHE 20 HE2 PHE 20 18.237 29.724 -12.808 141 HZ PHE 20 HZ PHE 20 18.123 31.876 -11.615 142 H ARG 21 H ARG 21 11.654 28.093 -14.771 143 HA ARG 21 HA ARG 21 9.283 29.333 -15.881 144 HB2 ARG 21 HB2 ARG 21 9.695 28.621 -18.167 145 HB3 ARG 21 HB3 ARG 21 10.979 29.698 -17.636 146 HG2 ARG 21 HG2 ARG 21 12.408 27.739 -17.203 147 HG3 ARG 21 HG3 ARG 21 11.125 26.698 -17.824 148 HD2 ARG 21 HD2 ARG 21 12.540 26.982 -19.653 149 HD3 ARG 21 HD3 ARG 21 11.251 28.150 -19.939 150 HE ARG 21 HE ARG 21 13.381 29.357 -18.521 151 HH11 ARG 21 HH11 ARG 21 12.500 28.205 -21.687 152 HH12 ARG 21 HH12 ARG 21 13.550 29.300 -22.521 153 HH21 ARG 21 HH21 ARG 21 14.768 30.805 -19.609 154 HH22 ARG 21 HH22 ARG 21 14.840 30.778 -21.339 155 H ASP 22 H ASP 22 7.813 27.710 -16.849 156 HA ASP 22 HA ASP 22 7.336 25.575 -15.166 157 HB2 ASP 22 HB2 ASP 22 5.775 24.753 -16.865 158 HB3 ASP 22 HB3 ASP 22 5.651 26.502 -16.698 159 H SER 23 H SER 23 9.053 25.592 -18.266 160 HA SER 23 HA SER 23 9.458 22.891 -18.626 161 HB2 SER 23 HB2 SER 23 11.589 24.955 -19.180 162 HB3 SER 23 HB3 SER 23 11.282 23.454 -20.052 163 HG SER 23 HG SER 23 10.333 24.966 -21.286 164 H TYR 24 H TYR 24 11.012 25.062 -16.381 165 HA TYR 24 HA TYR 24 13.165 23.321 -15.694 166 HB2 TYR 24 HB2 TYR 24 13.055 25.848 -15.348 167 HB3 TYR 24 HB3 TYR 24 12.045 25.510 -13.947 168 HD1 TYR 24 HD1 TYR 24 12.995 24.772 -11.901 169 HD2 TYR 24 HD2 TYR 24 15.413 25.017 -15.393 170 HE1 TYR 24 HE1 TYR 24 15.007 24.446 -10.524 171 HE2 TYR 24 HE2 TYR 24 17.431 24.690 -14.026 172 HH TYR 24 HH TYR 24 18.249 24.486 -11.969 173 H CYS 25 H CYS 25 10.215 24.271 -13.925 174 HA CYS 25 HA CYS 25 10.502 22.451 -11.822 175 HB2 CYS 25 HB2 CYS 25 8.957 24.280 -11.617 176 HB3 CYS 25 HB3 CYS 25 8.032 23.725 -13.008 177 H ASN 26 H ASN 26 9.061 22.097 -15.006 178 HA ASN 26 HA ASN 26 7.668 19.722 -14.672 179 HB2 ASN 26 HB2 ASN 26 7.351 20.801 -16.730 180 HB3 ASN 26 HB3 ASN 26 9.081 20.941 -17.028 181 HD21 ASN 26 HD21 ASN 26 7.139 18.148 -16.064 182 HD22 ASN 26 HD22 ASN 26 7.534 17.179 -17.438 183 H ASP 27 H ASP 27 11.006 20.082 -15.878 184 HA ASP 27 HA ASP 27 11.540 17.284 -15.724 185 HB2 ASP 27 HB2 ASP 27 12.708 19.352 -17.044 186 HB3 ASP 27 HB3 ASP 27 13.840 19.135 -15.712 187 H LEU 28 H LEU 28 12.129 20.043 -13.628 188 HA LEU 28 HA LEU 28 13.917 18.883 -11.829 189 HB2 LEU 28 HB2 LEU 28 13.658 21.165 -11.583 190 HB3 LEU 28 HB3 LEU 28 11.899 21.074 -11.643 191 HG LEU 28 HG LEU 28 11.859 20.178 -9.374 192 HD11 LEU 28 HD11 LEU 28 14.435 20.716 -8.426 193 HD12 LEU 28 HD12 LEU 28 13.649 19.145 -8.572 194 HD13 LEU 28 HD13 LEU 28 14.651 19.755 -9.888 195 HD21 LEU 28 HD21 LEU 28 12.229 22.746 -10.079 196 HD22 LEU 28 HD22 LEU 28 11.995 22.216 -8.414 197 HD23 LEU 28 HD23 LEU 28 13.622 22.516 -9.024 198 H CYS 29 H CYS 29 10.421 18.659 -12.059 199 HA CYS 29 HA CYS 29 10.019 17.406 -9.538 200 HB2 CYS 29 HB2 CYS 29 8.371 17.793 -12.006 201 HB3 CYS 29 HB3 CYS 29 7.830 16.644 -10.787 202 H ILE 30 H ILE 30 10.668 16.236 -12.786 203 HA ILE 30 HA ILE 30 10.072 13.528 -12.410 204 HB ILE 30 HB ILE 30 12.233 14.684 -14.176 205 HG12 ILE 30 HG12 ILE 30 9.372 14.032 -14.902 206 HG13 ILE 30 HG13 ILE 30 9.923 15.652 -14.486 207 HG21 ILE 30 HG21 ILE 30 12.597 12.377 -14.094 208 HG22 ILE 30 HG22 ILE 30 10.870 12.014 -14.066 209 HG23 ILE 30 HG23 ILE 30 11.622 12.608 -15.546 210 HD11 ILE 30 HD11 ILE 30 9.942 15.633 -16.801 211 HD12 ILE 30 HD12 ILE 30 11.627 15.329 -16.376 212 HD13 ILE 30 HD13 ILE 30 10.591 13.994 -16.880 213 H LYS 31 H LYS 31 13.151 15.264 -12.007 214 HA LYS 31 HA LYS 31 14.773 13.132 -11.315 215 HB2 LYS 31 HB2 LYS 31 15.396 15.591 -11.685 216 HB3 LYS 31 HB3 LYS 31 14.978 15.832 -9.993 217 HG2 LYS 31 HG2 LYS 31 17.090 15.324 -9.539 218 HG3 LYS 31 HG3 LYS 31 16.665 13.655 -9.925 219 HD2 LYS 31 HD2 LYS 31 17.299 14.056 -12.269 220 HD3 LYS 31 HD3 LYS 31 17.764 15.706 -11.848 221 HE2 LYS 31 HE2 LYS 31 19.684 14.145 -11.968 222 HE3 LYS 31 HE3 LYS 31 19.494 14.897 -10.384 223 HZ1 LYS 31 HZ1 LYS 31 18.110 12.382 -10.685 224 HZ2 LYS 31 HZ2 LYS 31 19.795 12.260 -10.798 225 HZ3 LYS 31 HZ3 LYS 31 19.087 12.937 -9.419 226 H HIS 32 H HIS 32 12.486 14.929 -9.343 227 HA HIS 32 HA HIS 32 13.279 13.733 -6.869 228 HB2 HIS 32 HB2 HIS 32 10.878 15.343 -7.721 229 HB3 HIS 32 HB3 HIS 32 11.019 14.671 -6.099 230 HD1 HIS 32 HD1 HIS 32 11.635 16.523 -4.589 231 HD2 HIS 32 HD2 HIS 32 13.687 16.730 -8.197 232 HE1 HIS 32 HE1 HIS 32 13.199 18.479 -4.362 233 H GLY 33 H GLY 33 11.024 12.938 -9.409 234 HA2 GLY 33 HA2 GLY 33 10.545 10.509 -9.579 235 HA3 GLY 33 HA3 GLY 33 10.208 10.559 -7.855 236 H ALA 34 H ALA 34 9.208 13.054 -10.107 237 HA ALA 34 HA ALA 34 6.410 12.289 -9.590 238 HB1 ALA 34 HB1 ALA 34 7.689 14.713 -9.152 239 HB2 ALA 34 HB2 ALA 34 6.751 14.970 -10.623 240 HB3 ALA 34 HB3 ALA 34 5.950 14.421 -9.151 241 H GLU 35 H GLU 35 4.860 12.816 -11.333 242 HA GLU 35 HA GLU 35 5.748 11.719 -13.810 243 HB2 GLU 35 HB2 GLU 35 3.517 11.230 -13.109 244 HB3 GLU 35 HB3 GLU 35 3.131 12.937 -12.935 245 HG2 GLU 35 HG2 GLU 35 2.945 13.266 -15.212 246 HG3 GLU 35 HG3 GLU 35 3.919 11.848 -15.600 247 H SER 36 H SER 36 4.758 14.955 -12.758 248 HA SER 36 HA SER 36 6.375 16.166 -14.810 249 HB2 SER 36 HB2 SER 36 4.447 17.502 -15.744 250 HB3 SER 36 HB3 SER 36 4.432 15.790 -16.169 251 HG SER 36 HG SER 36 2.406 16.852 -15.335 252 H GLY 37 H GLY 37 5.798 18.696 -14.769 253 HA2 GLY 37 HA2 GLY 37 4.994 19.642 -12.158 254 HA3 GLY 37 HA3 GLY 37 6.717 19.786 -12.475 255 H GLU 38 H GLU 38 4.508 21.799 -12.109 256 HA GLU 38 HA GLU 38 5.214 23.429 -14.435 257 HB2 GLU 38 HB2 GLU 38 2.875 24.253 -14.594 258 HB3 GLU 38 HB3 GLU 38 3.043 22.553 -15.010 259 HG2 GLU 38 HG2 GLU 38 2.262 21.952 -12.754 260 HG3 GLU 38 HG3 GLU 38 2.027 23.663 -12.404 261 H CYS 39 H CYS 39 4.913 25.729 -14.090 262 HA CYS 39 HA CYS 39 5.437 26.443 -11.315 263 HB2 CYS 39 HB2 CYS 39 5.768 27.876 -13.940 264 HB3 CYS 39 HB3 CYS 39 5.885 28.736 -12.409 265 H LYS 40 H LYS 40 4.008 27.399 -10.024 266 HA LYS 40 HA LYS 40 1.580 28.545 -11.243 267 HB2 LYS 40 HB2 LYS 40 1.932 26.605 -9.067 268 HB3 LYS 40 HB3 LYS 40 0.840 27.925 -8.674 269 HG2 LYS 40 HG2 LYS 40 -0.653 26.483 -9.580 270 HG3 LYS 40 HG3 LYS 40 -0.154 27.319 -11.053 271 HD2 LYS 40 HD2 LYS 40 0.982 25.518 -11.850 272 HD3 LYS 40 HD3 LYS 40 1.450 24.965 -10.240 273 HE2 LYS 40 HE2 LYS 40 -0.063 23.352 -11.061 274 HE3 LYS 40 HE3 LYS 40 -0.975 24.321 -9.904 275 HZ1 LYS 40 HZ1 LYS 40 -2.042 23.781 -12.150 276 HZ2 LYS 40 HZ2 LYS 40 -2.143 25.375 -11.588 277 HZ3 LYS 40 HZ3 LYS 40 -1.015 24.969 -12.783 278 H TRP 41 H TRP 41 1.394 30.658 -10.958 279 HA TRP 41 HA TRP 41 3.062 32.045 -9.057 280 HB2 TRP 41 HB2 TRP 41 2.304 32.772 -11.474 281 HB3 TRP 41 HB3 TRP 41 0.905 33.413 -10.616 282 HD1 TRP 41 HD1 TRP 41 4.760 33.624 -10.094 283 HE1 TRP 41 HE1 TRP 41 5.337 36.062 -9.507 284 HE3 TRP 41 HE3 TRP 41 0.055 35.620 -10.208 285 HZ2 TRP 41 HZ2 TRP 41 3.977 38.509 -9.140 286 HZ3 TRP 41 HZ3 TRP 41 -0.221 38.018 -9.727 287 HH2 TRP 41 HH2 TRP 41 1.701 39.430 -9.204 288 H PHE 42 H PHE 42 2.389 31.663 -6.996 289 HA PHE 42 HA PHE 42 -0.417 31.902 -6.299 290 HB2 PHE 42 HB2 PHE 42 0.956 30.151 -5.248 291 HB3 PHE 42 HB3 PHE 42 2.002 31.384 -4.554 292 HD1 PHE 42 HD1 PHE 42 -1.643 30.588 -4.703 293 HD2 PHE 42 HD2 PHE 42 1.655 31.891 -2.350 294 HE1 PHE 42 HE1 PHE 42 -3.104 30.704 -2.726 295 HE2 PHE 42 HE2 PHE 42 0.201 32.009 -0.370 296 HZ PHE 42 HZ PHE 42 -2.182 31.413 -0.555 297 H THR 43 H THR 43 2.575 33.698 -5.904 298 HA THR 43 HA THR 43 1.097 36.109 -5.341 299 HB THR 43 HB THR 43 1.355 35.009 -3.088 300 HG1 THR 43 HG1 THR 43 1.257 37.025 -2.480 301 HG21 THR 43 HG21 THR 43 4.200 35.858 -3.037 302 HG22 THR 43 HG22 THR 43 3.385 34.574 -2.143 303 HG23 THR 43 HG23 THR 43 3.824 34.330 -3.834 304 H SER 44 H SER 44 2.955 37.838 -4.597 305 HA SER 44 HA SER 44 4.777 37.848 -6.859 306 HB2 SER 44 HB2 SER 44 3.383 39.855 -6.139 307 HB3 SER 44 HB3 SER 44 4.480 40.005 -4.765 308 HG SER 44 HG SER 44 5.617 41.139 -6.127 309 H SER 45 H SER 45 5.246 35.980 -4.674 310 HA SER 45 HA SER 45 7.752 37.032 -3.552 311 HB2 SER 45 HB2 SER 45 7.544 35.488 -1.775 312 HB3 SER 45 HB3 SER 45 5.908 36.092 -2.030 313 HG SER 45 HG SER 45 5.874 33.845 -1.863 314 H GLY 46 H GLY 46 7.036 35.686 -6.262 315 HA2 GLY 46 HA2 GLY 46 8.810 34.758 -7.617 316 HA3 GLY 46 HA3 GLY 46 9.343 33.851 -6.209 317 H ASN 47 H ASN 47 8.471 33.094 -9.016 318 HA ASN 47 HA ASN 47 6.038 31.657 -8.800 319 HB2 ASN 47 HB2 ASN 47 8.289 31.020 -10.707 320 HB3 ASN 47 HB3 ASN 47 6.566 30.736 -10.934 321 HD21 ASN 47 HD21 ASN 47 5.507 32.160 -12.107 322 HD22 ASN 47 HD22 ASN 47 6.018 33.774 -12.452 323 H ALA 48 H ALA 48 5.633 29.821 -7.773 324 HA ALA 48 HA ALA 48 7.836 28.254 -6.702 325 HB1 ALA 48 HB1 ALA 48 5.599 26.973 -5.854 326 HB2 ALA 48 HB2 ALA 48 6.368 28.312 -5.003 327 HB3 ALA 48 HB3 ALA 48 4.994 28.615 -6.065 328 H CYS 49 H CYS 49 7.736 25.865 -6.812 329 HA CYS 49 HA CYS 49 6.978 25.022 -9.521 330 HB2 CYS 49 HB2 CYS 49 9.321 24.719 -9.084 331 HB3 CYS 49 HB3 CYS 49 8.985 23.906 -7.559 332 H TRP 50 H TRP 50 5.288 23.734 -9.781 333 HA TRP 50 HA TRP 50 4.173 22.376 -7.436 334 HB2 TRP 50 HB2 TRP 50 2.535 23.709 -8.509 335 HB3 TRP 50 HB3 TRP 50 3.014 23.149 -10.108 336 HD1 TRP 50 HD1 TRP 50 2.156 20.711 -10.863 337 HE1 TRP 50 HE1 TRP 50 0.181 19.275 -10.049 338 HE3 TRP 50 HE3 TRP 50 1.177 23.104 -6.453 339 HZ2 TRP 50 HZ2 TRP 50 -1.562 19.171 -7.831 340 HZ3 TRP 50 HZ3 TRP 50 -0.661 22.274 -5.043 341 HH2 TRP 50 HH2 TRP 50 -2.001 20.348 -5.719 342 H CYS 51 H CYS 51 3.931 20.196 -7.310 343 HA CYS 51 HA CYS 51 4.934 18.608 -9.581 344 HB2 CYS 51 HB2 CYS 51 5.479 18.335 -6.636 345 HB3 CYS 51 HB3 CYS 51 5.635 16.954 -7.716 346 H VAL 52 H VAL 52 3.760 16.866 -10.195 347 HA VAL 52 HA VAL 52 1.177 16.492 -8.870 348 HB VAL 52 HB VAL 52 1.087 16.900 -11.266 349 HG11 VAL 52 HG11 VAL 52 3.064 14.673 -11.339 350 HG12 VAL 52 HG12 VAL 52 1.957 14.875 -12.698 351 HG13 VAL 52 HG13 VAL 52 3.039 16.190 -12.239 352 HG21 VAL 52 HG21 VAL 52 -0.568 15.401 -11.655 353 HG22 VAL 52 HG22 VAL 52 0.424 14.019 -11.185 354 HG23 VAL 52 HG23 VAL 52 -0.314 15.038 -9.948 355 H LYS 53 H LYS 53 0.415 14.464 -8.241 356 HA LYS 53 HA LYS 53 0.718 12.539 -7.017 357 HB2 LYS 53 HB2 LYS 53 1.364 10.651 -8.418 358 HB3 LYS 53 HB3 LYS 53 0.315 11.746 -9.310 359 HG2 LYS 53 HG2 LYS 53 2.047 12.511 -10.656 360 HG3 LYS 53 HG3 LYS 53 3.292 11.947 -9.538 361 HD2 LYS 53 HD2 LYS 53 1.751 9.700 -10.323 362 HD3 LYS 53 HD3 LYS 53 2.171 10.601 -11.782 363 HE2 LYS 53 HE2 LYS 53 4.546 10.664 -10.630 364 HE3 LYS 53 HE3 LYS 53 3.932 9.228 -9.813 365 HZ1 LYS 53 HZ1 LYS 53 4.545 9.631 -12.649 366 HZ2 LYS 53 HZ2 LYS 53 4.860 8.298 -11.657 367 HZ3 LYS 53 HZ3 LYS 53 3.297 8.563 -12.247 368 H LEU 54 H LEU 54 2.670 14.352 -6.289 369 HA LEU 54 HA LEU 54 5.291 13.244 -6.443 370 HB2 LEU 54 HB2 LEU 54 4.457 15.679 -5.921 371 HB3 LEU 54 HB3 LEU 54 4.476 15.100 -4.256 372 HG LEU 54 HG LEU 54 6.869 14.591 -4.472 373 HD11 LEU 54 HD11 LEU 54 7.822 14.390 -6.460 374 HD12 LEU 54 HD12 LEU 54 6.319 14.882 -7.243 375 HD13 LEU 54 HD13 LEU 54 7.513 16.096 -6.784 376 HD21 LEU 54 HD21 LEU 54 7.423 16.682 -3.880 377 HD22 LEU 54 HD22 LEU 54 6.841 17.372 -5.395 378 HD23 LEU 54 HD23 LEU 54 5.706 17.023 -4.091 379 HA PRO 55 HA PRO 55 4.901 10.151 -3.309 380 HB2 PRO 55 HB2 PRO 55 7.549 9.680 -2.943 381 HB3 PRO 55 HB3 PRO 55 6.657 9.101 -4.356 382 HG2 PRO 55 HG2 PRO 55 8.424 11.503 -4.084 383 HG3 PRO 55 HG3 PRO 55 8.331 10.326 -5.407 384 HD2 PRO 55 HD2 PRO 55 7.148 12.758 -5.535 385 HD3 PRO 55 HD3 PRO 55 6.470 11.323 -6.332 386 H LYS 56 H LYS 56 4.987 10.006 -1.102 387 HA LYS 56 HA LYS 56 5.233 12.338 0.417 388 HB2 LYS 56 HB2 LYS 56 5.415 9.477 1.380 389 HB3 LYS 56 HB3 LYS 56 5.062 10.880 2.379 390 HG2 LYS 56 HG2 LYS 56 3.052 11.240 0.837 391 HG3 LYS 56 HG3 LYS 56 3.348 9.588 0.288 392 HD2 LYS 56 HD2 LYS 56 3.259 10.038 3.215 393 HD3 LYS 56 HD3 LYS 56 1.732 10.167 2.338 394 HE2 LYS 56 HE2 LYS 56 2.110 7.896 3.175 395 HE3 LYS 56 HE3 LYS 56 2.057 7.942 1.413 396 HZ1 LYS 56 HZ1 LYS 56 4.247 7.434 1.240 397 HZ2 LYS 56 HZ2 LYS 56 4.671 8.184 2.696 398 HZ3 LYS 56 HZ3 LYS 56 3.935 6.661 2.713 399 H SER 57 H SER 57 7.573 9.879 -0.410 400 HA SER 57 HA SER 57 9.532 10.286 1.490 401 HB2 SER 57 HB2 SER 57 10.075 9.836 -1.452 402 HB3 SER 57 HB3 SER 57 11.104 9.381 -0.094 403 HG SER 57 HG SER 57 9.958 7.579 -0.777 404 H GLU 58 H GLU 58 8.735 12.234 -1.321 405 HA GLU 58 HA GLU 58 11.036 13.939 -1.063 406 HB2 GLU 58 HB2 GLU 58 8.517 14.132 -2.713 407 HB3 GLU 58 HB3 GLU 58 9.784 15.351 -2.751 408 HG2 GLU 58 HG2 GLU 58 10.085 12.451 -3.496 409 HG3 GLU 58 HG3 GLU 58 10.001 13.814 -4.610 410 HA PRO 59 HA PRO 59 9.547 16.875 1.837 411 HB2 PRO 59 HB2 PRO 59 10.632 19.173 0.881 412 HB3 PRO 59 HB3 PRO 59 11.591 17.911 1.663 413 HG2 PRO 59 HG2 PRO 59 11.209 18.466 -1.254 414 HG3 PRO 59 HG3 PRO 59 12.694 18.051 -0.379 415 HD2 PRO 59 HD2 PRO 59 11.295 16.233 -1.815 416 HD3 PRO 59 HD3 PRO 59 12.199 15.801 -0.350 417 H ILE 60 H ILE 60 8.175 18.743 2.125 418 HA ILE 60 HA ILE 60 6.750 19.739 -0.207 419 HB ILE 60 HB ILE 60 4.530 19.273 0.884 420 HG12 ILE 60 HG12 ILE 60 6.183 17.328 2.510 421 HG13 ILE 60 HG13 ILE 60 5.397 18.773 3.138 422 HG21 ILE 60 HG21 ILE 60 5.607 17.967 -1.022 423 HG22 ILE 60 HG22 ILE 60 5.972 16.734 0.185 424 HG23 ILE 60 HG23 ILE 60 4.297 17.177 -0.145 425 HD11 ILE 60 HD11 ILE 60 4.348 16.165 2.874 426 HD12 ILE 60 HD12 ILE 60 3.559 17.610 3.505 427 HD13 ILE 60 HD13 ILE 60 3.445 17.223 1.788 428 H LYS 61 H LYS 61 5.511 21.630 0.212 429 HA LYS 61 HA LYS 61 6.656 23.443 1.981 430 HB2 LYS 61 HB2 LYS 61 5.364 24.130 0.020 431 HB3 LYS 61 HB3 LYS 61 3.893 23.500 0.750 432 HG2 LYS 61 HG2 LYS 61 3.979 25.905 0.962 433 HG3 LYS 61 HG3 LYS 61 4.092 25.150 2.552 434 HD2 LYS 61 HD2 LYS 61 6.492 25.489 2.577 435 HD3 LYS 61 HD3 LYS 61 6.442 26.147 0.939 436 HE2 LYS 61 HE2 LYS 61 6.594 27.926 2.604 437 HE3 LYS 61 HE3 LYS 61 5.069 28.006 1.722 438 HZ1 LYS 61 HZ1 LYS 61 3.877 27.487 3.551 439 HZ2 LYS 61 HZ2 LYS 61 5.066 26.470 4.196 440 HZ3 LYS 61 HZ3 LYS 61 5.210 28.148 4.354 441 H VAL 62 H VAL 62 6.334 23.972 4.061 442 HA VAL 62 HA VAL 62 4.013 22.822 5.455 443 HB VAL 62 HB VAL 62 5.585 22.572 7.465 444 HG11 VAL 62 HG11 VAL 62 5.298 20.835 5.101 445 HG12 VAL 62 HG12 VAL 62 6.586 20.400 6.226 446 HG13 VAL 62 HG13 VAL 62 4.920 20.521 6.795 447 HG21 VAL 62 HG21 VAL 62 7.406 23.752 5.806 448 HG22 VAL 62 HG22 VAL 62 7.803 22.822 7.250 449 HG23 VAL 62 HG23 VAL 62 7.833 22.046 5.667 450 HA PRO 63 HA PRO 63 3.406 26.796 7.221 451 HB2 PRO 63 HB2 PRO 63 2.428 26.156 9.672 452 HB3 PRO 63 HB3 PRO 63 1.497 25.952 8.182 453 HG2 PRO 63 HG2 PRO 63 3.031 23.915 9.752 454 HG3 PRO 63 HG3 PRO 63 1.429 23.777 9.005 455 HD2 PRO 63 HD2 PRO 63 3.661 22.755 7.863 456 HD3 PRO 63 HD3 PRO 63 2.302 23.382 6.909 457 H GLY 64 H GLY 64 4.982 28.127 7.850 458 HA2 GLY 64 HA2 GLY 64 6.110 28.097 10.423 459 HA3 GLY 64 HA3 GLY 64 7.252 27.356 9.312 460 H LYS 65 H LYS 65 8.438 28.620 7.963 461 HA LYS 65 HA LYS 65 7.787 31.248 7.199 462 HB2 LYS 65 HB2 LYS 65 8.349 31.410 9.749 463 HB3 LYS 65 HB3 LYS 65 10.016 31.272 9.203 464 HG2 LYS 65 HG2 LYS 65 9.477 33.220 7.641 465 HG3 LYS 65 HG3 LYS 65 8.032 33.443 8.629 466 HD2 LYS 65 HD2 LYS 65 10.824 33.341 9.759 467 HD3 LYS 65 HD3 LYS 65 10.014 34.839 9.295 468 HE2 LYS 65 HE2 LYS 65 8.804 32.879 11.227 469 HE3 LYS 65 HE3 LYS 65 9.888 34.169 11.746 470 HZ1 LYS 65 HZ1 LYS 65 8.338 35.751 10.652 471 HZ2 LYS 65 HZ2 LYS 65 7.264 34.470 10.397 472 HZ3 LYS 65 HZ3 LYS 65 7.667 34.936 11.973 473 H CYS 66 H CYS 66 8.744 31.346 5.287 474 HA CYS 66 HA CYS 66 11.049 29.743 4.670 475 HB2 CYS 66 HB2 CYS 66 9.353 30.010 2.975 476 HB3 CYS 66 HB3 CYS 66 9.495 31.763 3.046 477 H HIS 67 H HIS 67 13.125 30.333 4.664 478 HA HIS 67 HA HIS 67 13.969 32.755 5.823 479 HB2 HIS 67 HB2 HIS 67 16.224 32.037 5.289 480 HB3 HIS 67 HB3 HIS 67 15.290 30.656 5.856 481 HD1 HIS 67 HD1 HIS 67 16.640 32.149 2.656 482 HD2 HIS 67 HD2 HIS 67 15.155 28.549 4.106 483 HE1 HIS 67 HE1 HIS 67 17.042 30.469 0.827 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.691 0.378 0.408 2 HA2 GLY 1 HA2 GLY 1 3.582 -0.903 -1.403 3 HA3 GLY 1 HA3 GLY 1 1.942 -0.708 -2.005 4 H GLU 2 H GLU 2 2.308 0.768 -3.593 5 HA GLU 2 HA GLU 2 3.922 3.107 -3.130 6 HB2 GLU 2 HB2 GLU 2 3.401 1.760 -5.363 7 HB3 GLU 2 HB3 GLU 2 2.083 2.918 -5.467 8 HG2 GLU 2 HG2 GLU 2 3.771 4.742 -5.225 9 HG3 GLU 2 HG3 GLU 2 5.028 3.512 -5.352 10 H GLU 3 H GLU 3 3.202 5.263 -3.104 11 HA GLU 3 HA GLU 3 0.420 5.925 -3.100 12 HB2 GLU 3 HB2 GLU 3 0.366 6.735 -0.740 13 HB3 GLU 3 HB3 GLU 3 0.456 4.986 -0.890 14 HG2 GLU 3 HG2 GLU 3 2.970 5.256 -0.587 15 HG3 GLU 3 HG3 GLU 3 2.609 6.900 -0.067 16 H VAL 4 H VAL 4 0.221 7.958 -3.779 17 HA VAL 4 HA VAL 4 2.267 9.930 -3.096 18 HB VAL 4 HB VAL 4 2.276 10.733 -5.488 19 HG11 VAL 4 HG11 VAL 4 3.862 8.904 -4.206 20 HG12 VAL 4 HG12 VAL 4 3.460 8.074 -5.710 21 HG13 VAL 4 HG13 VAL 4 4.223 9.664 -5.756 22 HG21 VAL 4 HG21 VAL 4 0.995 8.040 -5.928 23 HG22 VAL 4 HG22 VAL 4 0.330 9.621 -6.339 24 HG23 VAL 4 HG23 VAL 4 1.738 9.004 -7.203 25 H ARG 5 H ARG 5 1.598 12.154 -3.688 26 HA ARG 5 HA ARG 5 -1.249 12.544 -4.138 27 HB2 ARG 5 HB2 ARG 5 -1.749 13.598 -2.132 28 HB3 ARG 5 HB3 ARG 5 -0.707 12.281 -1.608 29 HG2 ARG 5 HG2 ARG 5 0.124 15.146 -2.019 30 HG3 ARG 5 HG3 ARG 5 -0.137 14.343 -0.469 31 HD2 ARG 5 HD2 ARG 5 1.629 12.647 -1.574 32 HD3 ARG 5 HD3 ARG 5 2.124 14.145 -2.361 33 HE ARG 5 HE ARG 5 1.808 14.345 0.498 34 HH11 ARG 5 HH11 ARG 5 3.979 13.616 -2.124 35 HH12 ARG 5 HH12 ARG 5 5.409 13.947 -1.204 36 HH21 ARG 5 HH21 ARG 5 3.684 14.786 1.719 37 HH22 ARG 5 HH22 ARG 5 5.240 14.613 0.982 38 H ASP 6 H ASP 6 -1.801 14.810 -4.512 39 HA ASP 6 HA ASP 6 0.376 16.173 -5.883 40 HB2 ASP 6 HB2 ASP 6 -1.523 17.691 -6.655 41 HB3 ASP 6 HB3 ASP 6 -1.582 16.019 -7.203 42 H ALA 7 H ALA 7 1.538 17.646 -4.852 43 HA ALA 7 HA ALA 7 0.232 19.652 -3.215 44 HB1 ALA 7 HB1 ALA 7 0.596 18.370 -1.372 45 HB2 ALA 7 HB2 ALA 7 1.971 17.531 -2.088 46 HB3 ALA 7 HB3 ALA 7 2.166 19.169 -1.463 47 H TYR 8 H TYR 8 1.775 21.373 -2.544 48 HA TYR 8 HA TYR 8 3.465 22.057 -4.761 49 HB2 TYR 8 HB2 TYR 8 2.481 23.418 -2.311 50 HB3 TYR 8 HB3 TYR 8 3.977 24.025 -3.013 51 HD1 TYR 8 HD1 TYR 8 0.373 23.797 -3.367 52 HD2 TYR 8 HD2 TYR 8 3.978 24.926 -5.325 53 HE1 TYR 8 HE1 TYR 8 -0.929 25.081 -5.011 54 HE2 TYR 8 HE2 TYR 8 2.687 26.214 -6.974 55 HH TYR 8 HH TYR 8 -0.778 26.024 -7.148 56 H ILE 9 H ILE 9 5.451 21.280 -4.970 57 HA ILE 9 HA ILE 9 6.929 20.117 -2.851 58 HB ILE 9 HB ILE 9 7.165 19.557 -5.300 59 HG12 ILE 9 HG12 ILE 9 9.689 20.243 -3.777 60 HG13 ILE 9 HG13 ILE 9 8.757 18.758 -3.611 61 HG21 ILE 9 HG21 ILE 9 9.251 21.520 -5.758 62 HG22 ILE 9 HG22 ILE 9 7.907 21.036 -6.792 63 HG23 ILE 9 HG23 ILE 9 7.666 22.263 -5.549 64 HD11 ILE 9 HD11 ILE 9 9.882 17.832 -5.268 65 HD12 ILE 9 HD12 ILE 9 9.436 19.147 -6.356 66 HD13 ILE 9 HD13 ILE 9 10.884 19.280 -5.359 67 H ALA 10 H ALA 10 8.835 20.823 -1.845 68 HA ALA 10 HA ALA 10 9.662 23.591 -2.219 69 HB1 ALA 10 HB1 ALA 10 8.185 24.151 -0.568 70 HB2 ALA 10 HB2 ALA 10 8.278 22.569 0.207 71 HB3 ALA 10 HB3 ALA 10 9.588 23.731 0.415 72 H GLN 11 H GLN 11 11.792 23.907 -1.825 73 HA GLN 11 HA GLN 11 13.577 21.809 -1.761 74 HB2 GLN 11 HB2 GLN 11 15.226 23.577 -0.879 75 HB3 GLN 11 HB3 GLN 11 14.453 23.873 -2.431 76 HG2 GLN 11 HG2 GLN 11 12.939 25.436 -1.467 77 HG3 GLN 11 HG3 GLN 11 13.456 25.012 0.164 78 HE21 GLN 11 HE21 GLN 11 14.517 26.460 -2.861 79 HE22 GLN 11 HE22 GLN 11 15.726 27.478 -2.164 80 HA PRO 12 HA PRO 12 13.867 20.327 2.356 81 HB2 PRO 12 HB2 PRO 12 16.522 19.807 2.581 82 HB3 PRO 12 HB3 PRO 12 15.431 18.827 1.594 83 HG2 PRO 12 HG2 PRO 12 17.303 21.006 0.753 84 HG3 PRO 12 HG3 PRO 12 16.995 19.437 -0.015 85 HD2 PRO 12 HD2 PRO 12 15.892 21.742 -0.914 86 HD3 PRO 12 HD3 PRO 12 15.065 20.176 -1.037 87 H HIS 13 H HIS 13 15.385 23.221 1.435 88 HA HIS 13 HA HIS 13 16.358 23.809 4.126 89 HB2 HIS 13 HB2 HIS 13 16.674 25.143 1.453 90 HB3 HIS 13 HB3 HIS 13 17.042 26.014 2.939 91 HD1 HIS 13 HD1 HIS 13 18.587 23.933 0.471 92 HD2 HIS 13 HD2 HIS 13 19.042 24.477 4.565 93 HE1 HIS 13 HE1 HIS 13 20.857 23.004 1.025 94 H ASN 14 H ASN 14 13.524 23.518 3.680 95 HA ASN 14 HA ASN 14 11.532 24.558 4.070 96 HB2 ASN 14 HB2 ASN 14 12.820 24.888 6.236 97 HB3 ASN 14 HB3 ASN 14 13.168 26.522 5.679 98 HD21 ASN 14 HD21 ASN 14 10.266 24.490 5.546 99 HD22 ASN 14 HD22 ASN 14 9.230 25.620 6.341 100 H CYS 15 H CYS 15 11.572 25.211 1.764 101 HA CYS 15 HA CYS 15 10.811 27.912 1.476 102 HB2 CYS 15 HB2 CYS 15 13.607 27.442 1.227 103 HB3 CYS 15 HB3 CYS 15 12.980 27.801 -0.378 104 H VAL 16 H VAL 16 10.281 28.454 -0.802 105 HA VAL 16 HA VAL 16 9.242 26.089 -2.137 106 HB VAL 16 HB VAL 16 8.077 27.732 -3.610 107 HG11 VAL 16 HG11 VAL 16 6.743 26.962 -1.878 108 HG12 VAL 16 HG12 VAL 16 7.727 27.740 -0.638 109 HG13 VAL 16 HG13 VAL 16 6.672 28.711 -1.664 110 HG21 VAL 16 HG21 VAL 16 8.790 29.833 -3.704 111 HG22 VAL 16 HG22 VAL 16 8.305 30.058 -2.023 112 HG23 VAL 16 HG23 VAL 16 9.942 29.524 -2.404 113 H TYR 17 H TYR 17 10.136 25.187 -3.871 114 HA TYR 17 HA TYR 17 12.618 25.871 -4.883 115 HB2 TYR 17 HB2 TYR 17 10.388 24.137 -5.814 116 HB3 TYR 17 HB3 TYR 17 11.642 24.534 -6.983 117 HD1 TYR 17 HD1 TYR 17 14.110 24.182 -6.117 118 HD2 TYR 17 HD2 TYR 17 10.680 22.284 -4.462 119 HE1 TYR 17 HE1 TYR 17 15.545 22.414 -5.186 120 HE2 TYR 17 HE2 TYR 17 12.106 20.512 -3.525 121 HH TYR 17 HH TYR 17 15.477 20.764 -3.353 122 H HIS 18 H HIS 18 13.262 27.568 -6.013 123 HA HIS 18 HA HIS 18 11.359 29.253 -7.383 124 HB2 HIS 18 HB2 HIS 18 13.458 29.976 -6.019 125 HB3 HIS 18 HB3 HIS 18 14.335 29.628 -7.506 126 HD1 HIS 18 HD1 HIS 18 14.304 31.390 -9.287 127 HD2 HIS 18 HD2 HIS 18 11.493 32.086 -6.308 128 HE1 HIS 18 HE1 HIS 18 13.378 33.680 -9.759 129 H CYS 19 H CYS 19 10.654 28.633 -9.320 130 HA CYS 19 HA CYS 19 12.556 27.389 -11.187 131 HB2 CYS 19 HB2 CYS 19 10.625 26.494 -12.360 132 HB3 CYS 19 HB3 CYS 19 10.525 26.078 -10.651 133 H PHE 20 H PHE 20 12.984 28.284 -13.142 134 HA PHE 20 HA PHE 20 12.276 31.047 -13.513 135 HB2 PHE 20 HB2 PHE 20 14.098 29.105 -14.860 136 HB3 PHE 20 HB3 PHE 20 13.597 30.536 -15.756 137 HD1 PHE 20 HD1 PHE 20 15.423 31.941 -15.843 138 HD2 PHE 20 HD2 PHE 20 14.406 30.085 -12.151 139 HE1 PHE 20 HE1 PHE 20 17.161 33.261 -14.706 140 HE2 PHE 20 HE2 PHE 20 16.141 31.402 -11.006 141 HZ PHE 20 HZ PHE 20 17.522 32.991 -12.284 142 H ARG 21 H ARG 21 11.453 27.966 -15.000 143 HA ARG 21 HA ARG 21 9.107 29.167 -16.199 144 HB2 ARG 21 HB2 ARG 21 9.639 28.174 -18.448 145 HB3 ARG 21 HB3 ARG 21 10.631 29.552 -17.994 146 HG2 ARG 21 HG2 ARG 21 12.450 28.061 -17.376 147 HG3 ARG 21 HG3 ARG 21 11.452 26.663 -17.781 148 HD2 ARG 21 HD2 ARG 21 12.989 27.167 -19.594 149 HD3 ARG 21 HD3 ARG 21 11.322 27.439 -20.101 150 HE ARG 21 HE ARG 21 11.850 29.627 -20.452 151 HH11 ARG 21 HH11 ARG 21 14.195 28.257 -18.275 152 HH12 ARG 21 HH12 ARG 21 15.186 29.678 -18.238 153 HH21 ARG 21 HH21 ARG 21 13.145 31.505 -20.412 154 HH22 ARG 21 HH22 ARG 21 14.586 31.525 -19.454 155 H ASP 22 H ASP 22 7.657 27.520 -17.144 156 HA ASP 22 HA ASP 22 7.166 25.417 -15.422 157 HB2 ASP 22 HB2 ASP 22 6.354 25.824 -18.301 158 HB3 ASP 22 HB3 ASP 22 5.757 24.486 -17.324 159 H SER 23 H SER 23 9.111 25.482 -18.350 160 HA SER 23 HA SER 23 9.469 22.744 -18.731 161 HB2 SER 23 HB2 SER 23 11.178 25.136 -19.375 162 HB3 SER 23 HB3 SER 23 11.726 23.502 -19.745 163 HG SER 23 HG SER 23 9.157 24.277 -20.546 164 H TYR 24 H TYR 24 11.085 24.984 -16.558 165 HA TYR 24 HA TYR 24 13.163 23.233 -15.755 166 HB2 TYR 24 HB2 TYR 24 13.115 25.741 -15.447 167 HB3 TYR 24 HB3 TYR 24 11.985 25.486 -14.123 168 HD1 TYR 24 HD1 TYR 24 12.758 24.910 -11.973 169 HD2 TYR 24 HD2 TYR 24 15.427 24.726 -15.281 170 HE1 TYR 24 HE1 TYR 24 14.642 24.576 -10.428 171 HE2 TYR 24 HE2 TYR 24 17.318 24.391 -13.744 172 HH TYR 24 HH TYR 24 16.838 23.837 -10.335 173 H CYS 25 H CYS 25 10.195 24.228 -14.042 174 HA CYS 25 HA CYS 25 10.430 22.421 -11.922 175 HB2 CYS 25 HB2 CYS 25 8.903 24.273 -11.760 176 HB3 CYS 25 HB3 CYS 25 7.988 23.707 -13.153 177 H ASN 26 H ASN 26 9.042 22.055 -15.127 178 HA ASN 26 HA ASN 26 7.613 19.699 -14.792 179 HB2 ASN 26 HB2 ASN 26 7.351 20.785 -16.862 180 HB3 ASN 26 HB3 ASN 26 9.087 20.862 -17.142 181 HD21 ASN 26 HD21 ASN 26 7.010 18.163 -16.185 182 HD22 ASN 26 HD22 ASN 26 7.400 17.157 -17.535 183 H ASP 27 H ASP 27 10.972 20.012 -15.953 184 HA ASP 27 HA ASP 27 11.473 17.208 -15.768 185 HB2 ASP 27 HB2 ASP 27 12.813 19.506 -16.805 186 HB3 ASP 27 HB3 ASP 27 13.923 18.658 -15.732 187 H LEU 28 H LEU 28 12.077 19.981 -13.690 188 HA LEU 28 HA LEU 28 13.833 18.860 -11.858 189 HB2 LEU 28 HB2 LEU 28 13.498 21.127 -11.592 190 HB3 LEU 28 HB3 LEU 28 11.745 20.985 -11.697 191 HG LEU 28 HG LEU 28 11.654 20.101 -9.438 192 HD11 LEU 28 HD11 LEU 28 14.274 20.647 -8.502 193 HD12 LEU 28 HD12 LEU 28 13.402 19.114 -8.506 194 HD13 LEU 28 HD13 LEU 28 14.402 19.564 -9.887 195 HD21 LEU 28 HD21 LEU 28 12.016 22.665 -10.093 196 HD22 LEU 28 HD22 LEU 28 11.815 22.124 -8.428 197 HD23 LEU 28 HD23 LEU 28 13.429 22.439 -9.063 198 H CYS 29 H CYS 29 10.345 18.535 -12.128 199 HA CYS 29 HA CYS 29 9.978 17.223 -9.624 200 HB2 CYS 29 HB2 CYS 29 8.300 17.597 -12.082 201 HB3 CYS 29 HB3 CYS 29 7.785 16.471 -10.830 202 H ILE 30 H ILE 30 10.629 16.151 -12.904 203 HA ILE 30 HA ILE 30 10.058 13.443 -12.672 204 HB ILE 30 HB ILE 30 12.339 14.651 -14.239 205 HG12 ILE 30 HG12 ILE 30 10.252 15.771 -14.795 206 HG13 ILE 30 HG13 ILE 30 10.720 14.707 -16.117 207 HG21 ILE 30 HG21 ILE 30 11.744 12.647 -15.747 208 HG22 ILE 30 HG22 ILE 30 12.680 12.351 -14.282 209 HG23 ILE 30 HG23 ILE 30 10.952 11.997 -14.310 210 HD11 ILE 30 HD11 ILE 30 8.340 14.581 -15.702 211 HD12 ILE 30 HD12 ILE 30 9.116 13.039 -15.331 212 HD13 ILE 30 HD13 ILE 30 8.639 14.125 -14.024 213 H LYS 31 H LYS 31 13.192 15.061 -12.146 214 HA LYS 31 HA LYS 31 14.684 12.874 -11.372 215 HB2 LYS 31 HB2 LYS 31 15.522 15.213 -11.746 216 HB3 LYS 31 HB3 LYS 31 14.905 15.630 -10.153 217 HG2 LYS 31 HG2 LYS 31 16.625 14.661 -9.098 218 HG3 LYS 31 HG3 LYS 31 16.651 13.278 -10.195 219 HD2 LYS 31 HD2 LYS 31 17.936 14.447 -11.795 220 HD3 LYS 31 HD3 LYS 31 17.645 16.000 -11.006 221 HE2 LYS 31 HE2 LYS 31 19.137 13.738 -9.692 222 HE3 LYS 31 HE3 LYS 31 19.932 14.985 -10.654 223 HZ1 LYS 31 HZ1 LYS 31 19.887 16.346 -8.925 224 HZ2 LYS 31 HZ2 LYS 31 18.211 16.183 -8.764 225 HZ3 LYS 31 HZ3 LYS 31 19.247 15.104 -7.971 226 H HIS 32 H HIS 32 12.567 14.908 -9.395 227 HA HIS 32 HA HIS 32 13.168 13.699 -6.916 228 HB2 HIS 32 HB2 HIS 32 10.857 15.331 -7.929 229 HB3 HIS 32 HB3 HIS 32 10.823 14.632 -6.313 230 HD1 HIS 32 HD1 HIS 32 11.458 16.330 -4.648 231 HD2 HIS 32 HD2 HIS 32 13.604 16.770 -8.177 232 HE1 HIS 32 HE1 HIS 32 13.006 18.271 -4.255 233 H GLY 33 H GLY 33 11.017 12.827 -9.521 234 HA2 GLY 33 HA2 GLY 33 10.497 10.433 -9.696 235 HA3 GLY 33 HA3 GLY 33 10.210 10.450 -7.962 236 H ALA 34 H ALA 34 9.124 12.961 -10.160 237 HA ALA 34 HA ALA 34 6.350 12.183 -9.550 238 HB1 ALA 34 HB1 ALA 34 7.639 14.618 -9.180 239 HB2 ALA 34 HB2 ALA 34 6.630 14.857 -10.607 240 HB3 ALA 34 HB3 ALA 34 5.904 14.313 -9.094 241 H GLU 35 H GLU 35 4.757 12.941 -11.276 242 HA GLU 35 HA GLU 35 5.515 11.724 -13.758 243 HB2 GLU 35 HB2 GLU 35 3.117 12.178 -12.405 244 HB3 GLU 35 HB3 GLU 35 3.006 13.178 -13.848 245 HG2 GLU 35 HG2 GLU 35 3.763 10.276 -13.950 246 HG3 GLU 35 HG3 GLU 35 2.091 10.829 -14.014 247 H SER 36 H SER 36 4.757 15.008 -12.684 248 HA SER 36 HA SER 36 6.384 16.154 -14.735 249 HB2 SER 36 HB2 SER 36 4.429 17.538 -15.673 250 HB3 SER 36 HB3 SER 36 4.562 15.863 -16.207 251 HG SER 36 HG SER 36 2.695 15.488 -15.341 252 H GLY 37 H GLY 37 5.786 18.700 -14.771 253 HA2 GLY 37 HA2 GLY 37 4.951 19.688 -12.184 254 HA3 GLY 37 HA3 GLY 37 6.675 19.841 -12.490 255 H GLU 38 H GLU 38 4.437 21.838 -12.184 256 HA GLU 38 HA GLU 38 5.138 23.421 -14.547 257 HB2 GLU 38 HB2 GLU 38 2.800 24.242 -14.702 258 HB3 GLU 38 HB3 GLU 38 2.959 22.530 -15.070 259 HG2 GLU 38 HG2 GLU 38 2.375 22.238 -12.540 260 HG3 GLU 38 HG3 GLU 38 1.700 23.857 -12.722 261 H CYS 39 H CYS 39 4.905 25.718 -14.251 262 HA CYS 39 HA CYS 39 5.539 26.513 -11.543 263 HB2 CYS 39 HB2 CYS 39 5.629 27.833 -14.229 264 HB3 CYS 39 HB3 CYS 39 5.652 28.834 -12.781 265 H LYS 40 H LYS 40 4.426 28.067 -10.327 266 HA LYS 40 HA LYS 40 1.858 29.036 -11.258 267 HB2 LYS 40 HB2 LYS 40 2.158 26.866 -9.251 268 HB3 LYS 40 HB3 LYS 40 0.965 28.112 -8.905 269 HG2 LYS 40 HG2 LYS 40 -0.166 27.655 -10.994 270 HG3 LYS 40 HG3 LYS 40 1.068 26.472 -11.430 271 HD2 LYS 40 HD2 LYS 40 0.447 25.180 -9.386 272 HD3 LYS 40 HD3 LYS 40 -0.887 26.310 -9.138 273 HE2 LYS 40 HE2 LYS 40 -0.540 24.824 -11.723 274 HE3 LYS 40 HE3 LYS 40 -1.379 24.102 -10.351 275 HZ1 LYS 40 HZ1 LYS 40 -2.839 26.106 -10.358 276 HZ2 LYS 40 HZ2 LYS 40 -2.124 26.568 -11.820 277 HZ3 LYS 40 HZ3 LYS 40 -2.997 25.122 -11.724 278 H TRP 41 H TRP 41 1.719 31.083 -10.642 279 HA TRP 41 HA TRP 41 3.459 32.121 -8.589 280 HB2 TRP 41 HB2 TRP 41 2.724 33.242 -10.834 281 HB3 TRP 41 HB3 TRP 41 1.304 33.734 -9.914 282 HD1 TRP 41 HD1 TRP 41 5.086 33.779 -8.997 283 HE1 TRP 41 HE1 TRP 41 5.655 36.137 -8.137 284 HE3 TRP 41 HE3 TRP 41 0.511 35.984 -9.586 285 HZ2 TRP 41 HZ2 TRP 41 4.338 38.605 -7.758 286 HZ3 TRP 41 HZ3 TRP 41 0.250 38.346 -8.951 287 HH2 TRP 41 HH2 TRP 41 2.124 39.628 -8.055 288 H PHE 42 H PHE 42 2.775 31.342 -6.624 289 HA PHE 42 HA PHE 42 -0.002 31.653 -5.832 290 HB2 PHE 42 HB2 PHE 42 1.489 29.650 -5.243 291 HB3 PHE 42 HB3 PHE 42 2.252 30.714 -4.067 292 HD1 PHE 42 HD1 PHE 42 -1.241 29.899 -5.111 293 HD2 PHE 42 HD2 PHE 42 1.528 30.418 -1.921 294 HE1 PHE 42 HE1 PHE 42 -3.015 29.370 -3.490 295 HE2 PHE 42 HE2 PHE 42 -0.241 29.890 -0.295 296 HZ PHE 42 HZ PHE 42 -2.516 29.364 -1.079 297 H THR 43 H THR 43 3.140 33.066 -5.147 298 HA THR 43 HA THR 43 1.787 35.279 -3.780 299 HB THR 43 HB THR 43 4.411 34.584 -2.635 300 HG1 THR 43 HG1 THR 43 2.206 33.053 -1.757 301 HG21 THR 43 HG21 THR 43 3.419 36.283 -1.467 302 HG22 THR 43 HG22 THR 43 1.789 35.676 -1.752 303 HG23 THR 43 HG23 THR 43 2.816 34.908 -0.542 304 H SER 44 H SER 44 3.634 37.016 -3.275 305 HA SER 44 HA SER 44 4.759 37.647 -5.878 306 HB2 SER 44 HB2 SER 44 3.485 39.299 -4.385 307 HB3 SER 44 HB3 SER 44 4.947 39.358 -3.401 308 HG SER 44 HG SER 44 5.358 40.912 -4.808 309 H SER 45 H SER 45 5.894 35.518 -4.130 310 HA SER 45 HA SER 45 8.570 36.635 -3.641 311 HB2 SER 45 HB2 SER 45 8.755 34.205 -2.528 312 HB3 SER 45 HB3 SER 45 8.092 35.590 -1.660 313 HG SER 45 HG SER 45 6.718 33.778 -1.513 314 H GLY 46 H GLY 46 7.174 35.549 -6.193 315 HA2 GLY 46 HA2 GLY 46 8.530 34.914 -8.093 316 HA3 GLY 46 HA3 GLY 46 9.473 33.895 -7.015 317 H ASN 47 H ASN 47 8.291 33.069 -9.472 318 HA ASN 47 HA ASN 47 5.860 31.675 -9.039 319 HB2 ASN 47 HB2 ASN 47 7.986 31.034 -11.091 320 HB3 ASN 47 HB3 ASN 47 6.274 30.626 -11.169 321 HD21 ASN 47 HD21 ASN 47 8.284 32.385 -12.727 322 HD22 ASN 47 HD22 ASN 47 7.389 33.839 -12.999 323 H ALA 48 H ALA 48 5.508 29.877 -7.929 324 HA ALA 48 HA ALA 48 7.742 28.333 -6.919 325 HB1 ALA 48 HB1 ALA 48 4.931 27.513 -6.414 326 HB2 ALA 48 HB2 ALA 48 6.320 27.528 -5.327 327 HB3 ALA 48 HB3 ALA 48 5.492 29.035 -5.722 328 H CYS 49 H CYS 49 7.678 25.941 -6.992 329 HA CYS 49 HA CYS 49 6.916 25.050 -9.683 330 HB2 CYS 49 HB2 CYS 49 9.260 24.764 -9.237 331 HB3 CYS 49 HB3 CYS 49 8.924 23.974 -7.699 332 H TRP 50 H TRP 50 5.188 23.807 -9.902 333 HA TRP 50 HA TRP 50 4.081 22.472 -7.547 334 HB2 TRP 50 HB2 TRP 50 2.440 23.757 -8.663 335 HB3 TRP 50 HB3 TRP 50 2.950 23.182 -10.248 336 HD1 TRP 50 HD1 TRP 50 2.122 20.735 -10.993 337 HE1 TRP 50 HE1 TRP 50 0.155 19.284 -10.188 338 HE3 TRP 50 HE3 TRP 50 1.071 23.149 -6.611 339 HZ2 TRP 50 HZ2 TRP 50 -1.609 19.176 -7.988 340 HZ3 TRP 50 HZ3 TRP 50 -0.772 22.309 -5.214 341 HH2 TRP 50 HH2 TRP 50 -2.084 20.364 -5.891 342 H CYS 51 H CYS 51 3.853 20.296 -7.364 343 HA CYS 51 HA CYS 51 4.886 18.652 -9.582 344 HB2 CYS 51 HB2 CYS 51 5.417 18.482 -6.629 345 HB3 CYS 51 HB3 CYS 51 5.564 17.055 -7.650 346 H VAL 52 H VAL 52 3.763 16.840 -10.120 347 HA VAL 52 HA VAL 52 1.168 16.486 -8.798 348 HB VAL 52 HB VAL 52 1.029 16.874 -11.186 349 HG11 VAL 52 HG11 VAL 52 3.067 14.701 -11.294 350 HG12 VAL 52 HG12 VAL 52 1.948 14.898 -12.642 351 HG13 VAL 52 HG13 VAL 52 3.003 16.231 -12.170 352 HG21 VAL 52 HG21 VAL 52 -0.573 15.314 -11.574 353 HG22 VAL 52 HG22 VAL 52 0.464 13.970 -11.093 354 HG23 VAL 52 HG23 VAL 52 -0.304 14.975 -9.863 355 H LYS 53 H LYS 53 0.434 14.462 -8.136 356 HA LYS 53 HA LYS 53 0.769 12.548 -6.904 357 HB2 LYS 53 HB2 LYS 53 1.394 10.654 -8.297 358 HB3 LYS 53 HB3 LYS 53 0.345 11.743 -9.194 359 HG2 LYS 53 HG2 LYS 53 2.064 12.478 -10.566 360 HG3 LYS 53 HG3 LYS 53 3.318 11.952 -9.440 361 HD2 LYS 53 HD2 LYS 53 1.773 9.682 -10.192 362 HD3 LYS 53 HD3 LYS 53 2.232 10.553 -11.657 363 HE2 LYS 53 HE2 LYS 53 4.182 9.473 -11.493 364 HE3 LYS 53 HE3 LYS 53 4.545 10.587 -10.177 365 HZ1 LYS 53 HZ1 LYS 53 4.862 8.194 -9.634 366 HZ2 LYS 53 HZ2 LYS 53 3.804 9.003 -8.590 367 HZ3 LYS 53 HZ3 LYS 53 3.190 7.977 -9.787 368 H LEU 54 H LEU 54 2.731 14.393 -6.244 369 HA LEU 54 HA LEU 54 5.353 13.300 -6.420 370 HB2 LEU 54 HB2 LEU 54 4.505 15.732 -5.899 371 HB3 LEU 54 HB3 LEU 54 4.561 15.163 -4.232 372 HG LEU 54 HG LEU 54 6.953 14.680 -4.485 373 HD11 LEU 54 HD11 LEU 54 6.350 14.938 -7.251 374 HD12 LEU 54 HD12 LEU 54 7.550 16.157 -6.823 375 HD13 LEU 54 HD13 LEU 54 7.865 14.455 -6.490 376 HD21 LEU 54 HD21 LEU 54 6.868 17.450 -5.445 377 HD22 LEU 54 HD22 LEU 54 5.779 17.100 -4.102 378 HD23 LEU 54 HD23 LEU 54 7.507 16.786 -3.942 379 HA PRO 55 HA PRO 55 5.031 10.223 -3.261 380 HB2 PRO 55 HB2 PRO 55 7.688 9.763 -2.946 381 HB3 PRO 55 HB3 PRO 55 6.769 9.173 -4.336 382 HG2 PRO 55 HG2 PRO 55 8.534 11.580 -4.116 383 HG3 PRO 55 HG3 PRO 55 8.417 10.394 -5.429 384 HD2 PRO 55 HD2 PRO 55 7.225 12.822 -5.550 385 HD3 PRO 55 HD3 PRO 55 6.535 11.379 -6.323 386 H LYS 56 H LYS 56 5.213 10.064 -1.050 387 HA LYS 56 HA LYS 56 5.452 12.411 0.452 388 HB2 LYS 56 HB2 LYS 56 5.065 9.555 0.997 389 HB3 LYS 56 HB3 LYS 56 5.888 10.417 2.292 390 HG2 LYS 56 HG2 LYS 56 3.863 12.124 1.784 391 HG3 LYS 56 HG3 LYS 56 3.101 10.585 1.374 392 HD2 LYS 56 HD2 LYS 56 3.904 9.722 3.599 393 HD3 LYS 56 HD3 LYS 56 4.372 11.378 3.989 394 HE2 LYS 56 HE2 LYS 56 2.254 12.009 4.369 395 HE3 LYS 56 HE3 LYS 56 1.641 11.123 2.973 396 HZ1 LYS 56 HZ1 LYS 56 1.872 10.285 5.749 397 HZ2 LYS 56 HZ2 LYS 56 0.716 9.873 4.585 398 HZ3 LYS 56 HZ3 LYS 56 2.225 9.108 4.586 399 H SER 57 H SER 57 7.809 9.993 -0.438 400 HA SER 57 HA SER 57 9.814 10.432 1.406 401 HB2 SER 57 HB2 SER 57 10.399 10.050 -1.527 402 HB3 SER 57 HB3 SER 57 11.312 9.454 -0.141 403 HG SER 57 HG SER 57 10.188 7.706 -0.450 404 H GLU 58 H GLU 58 8.915 12.361 -1.390 405 HA GLU 58 HA GLU 58 11.189 14.113 -1.166 406 HB2 GLU 58 HB2 GLU 58 8.645 14.312 -2.786 407 HB3 GLU 58 HB3 GLU 58 9.972 15.461 -2.887 408 HG2 GLU 58 HG2 GLU 58 10.183 12.521 -3.494 409 HG3 GLU 58 HG3 GLU 58 9.997 13.797 -4.696 410 HA PRO 59 HA PRO 59 9.639 17.030 1.725 411 HB2 PRO 59 HB2 PRO 59 10.698 19.338 0.767 412 HB3 PRO 59 HB3 PRO 59 11.669 18.093 1.559 413 HG2 PRO 59 HG2 PRO 59 11.298 18.631 -1.361 414 HG3 PRO 59 HG3 PRO 59 12.784 18.241 -0.476 415 HD2 PRO 59 HD2 PRO 59 11.417 16.398 -1.914 416 HD3 PRO 59 HD3 PRO 59 12.320 15.983 -0.442 417 H ILE 60 H ILE 60 8.238 18.875 1.998 418 HA ILE 60 HA ILE 60 6.814 19.845 -0.345 419 HB ILE 60 HB ILE 60 4.594 19.350 0.737 420 HG12 ILE 60 HG12 ILE 60 6.272 17.435 2.373 421 HG13 ILE 60 HG13 ILE 60 5.452 18.863 2.995 422 HG21 ILE 60 HG21 ILE 60 4.455 17.116 -0.160 423 HG22 ILE 60 HG22 ILE 60 5.502 18.094 -1.188 424 HG23 ILE 60 HG23 ILE 60 6.207 16.933 -0.063 425 HD11 ILE 60 HD11 ILE 60 4.458 16.243 2.755 426 HD12 ILE 60 HD12 ILE 60 3.618 17.684 3.330 427 HD13 ILE 60 HD13 ILE 60 3.556 17.249 1.621 428 H LYS 61 H LYS 61 5.769 21.801 -0.026 429 HA LYS 61 HA LYS 61 6.809 23.558 1.846 430 HB2 LYS 61 HB2 LYS 61 5.749 24.381 -0.153 431 HB3 LYS 61 HB3 LYS 61 4.208 23.676 0.315 432 HG2 LYS 61 HG2 LYS 61 4.151 26.047 0.686 433 HG3 LYS 61 HG3 LYS 61 4.125 25.214 2.242 434 HD2 LYS 61 HD2 LYS 61 6.491 25.651 2.547 435 HD3 LYS 61 HD3 LYS 61 6.584 26.396 0.950 436 HE2 LYS 61 HE2 LYS 61 5.037 27.392 3.338 437 HE3 LYS 61 HE3 LYS 61 6.470 28.125 2.621 438 HZ1 LYS 61 HZ1 LYS 61 3.715 28.324 1.819 439 HZ2 LYS 61 HZ2 LYS 61 5.015 29.356 1.488 440 HZ3 LYS 61 HZ3 LYS 61 4.761 27.981 0.533 441 H VAL 62 H VAL 62 6.376 24.050 3.908 442 HA VAL 62 HA VAL 62 3.987 22.834 5.139 443 HB VAL 62 HB VAL 62 5.383 22.932 7.291 444 HG11 VAL 62 HG11 VAL 62 4.961 20.785 6.644 445 HG12 VAL 62 HG12 VAL 62 5.650 21.014 5.037 446 HG13 VAL 62 HG13 VAL 62 6.712 20.810 6.430 447 HG21 VAL 62 HG21 VAL 62 7.744 22.974 7.116 448 HG22 VAL 62 HG22 VAL 62 7.687 22.909 5.354 449 HG23 VAL 62 HG23 VAL 62 7.159 24.362 6.201 450 HA PRO 63 HA PRO 63 2.720 26.799 6.533 451 HB2 PRO 63 HB2 PRO 63 1.604 26.198 8.935 452 HB3 PRO 63 HB3 PRO 63 0.851 25.775 7.392 453 HG2 PRO 63 HG2 PRO 63 2.474 24.068 9.240 454 HG3 PRO 63 HG3 PRO 63 0.981 23.670 8.371 455 HD2 PRO 63 HD2 PRO 63 3.422 22.880 7.507 456 HD3 PRO 63 HD3 PRO 63 2.091 23.255 6.395 457 H GLY 64 H GLY 64 3.980 28.398 7.238 458 HA2 GLY 64 HA2 GLY 64 4.794 28.897 9.792 459 HA3 GLY 64 HA3 GLY 64 6.098 27.924 9.126 460 H LYS 65 H LYS 65 7.738 29.101 8.433 461 HA LYS 65 HA LYS 65 7.296 31.372 6.704 462 HB2 LYS 65 HB2 LYS 65 8.243 31.661 9.515 463 HB3 LYS 65 HB3 LYS 65 8.997 32.668 8.286 464 HG2 LYS 65 HG2 LYS 65 6.630 33.339 7.621 465 HG3 LYS 65 HG3 LYS 65 6.124 32.604 9.144 466 HD2 LYS 65 HD2 LYS 65 6.457 34.735 9.876 467 HD3 LYS 65 HD3 LYS 65 8.099 34.122 10.078 468 HE2 LYS 65 HE2 LYS 65 8.584 34.978 7.761 469 HE3 LYS 65 HE3 LYS 65 7.012 35.774 7.807 470 HZ1 LYS 65 HZ1 LYS 65 8.563 37.376 8.485 471 HZ2 LYS 65 HZ2 LYS 65 7.828 36.858 9.918 472 HZ3 LYS 65 HZ3 LYS 65 9.374 36.303 9.511 473 H CYS 66 H CYS 66 8.871 31.515 5.223 474 HA CYS 66 HA CYS 66 10.955 29.575 5.181 475 HB2 CYS 66 HB2 CYS 66 9.984 30.277 3.096 476 HB3 CYS 66 HB3 CYS 66 10.377 31.962 3.420 477 H HIS 67 H HIS 67 13.111 29.772 5.572 478 HA HIS 67 HA HIS 67 14.987 30.545 6.609 479 HB2 HIS 67 HB2 HIS 67 14.074 32.963 5.063 480 HB3 HIS 67 HB3 HIS 67 15.568 32.969 5.996 481 HD1 HIS 67 HD1 HIS 67 16.418 33.428 3.388 482 HD2 HIS 67 HD2 HIS 67 15.263 29.573 4.423 483 HE1 HIS 67 HE1 HIS 67 17.442 31.928 1.649 Start of MODEL 5 1 H1 GLY 1 H GLY 1 3.917 -0.899 -0.343 2 HA2 GLY 1 HA2 GLY 1 2.032 -0.630 -1.829 3 HA3 GLY 1 HA3 GLY 1 1.111 -0.002 -0.470 4 H GLU 2 H GLU 2 2.177 0.969 -3.267 5 HA GLU 2 HA GLU 2 3.693 3.307 -2.652 6 HB2 GLU 2 HB2 GLU 2 3.430 1.976 -4.904 7 HB3 GLU 2 HB3 GLU 2 2.071 3.062 -5.153 8 HG2 GLU 2 HG2 GLU 2 3.781 4.176 -6.205 9 HG3 GLU 2 HG3 GLU 2 3.777 4.930 -4.612 10 H GLU 3 H GLU 3 3.008 5.500 -2.847 11 HA GLU 3 HA GLU 3 0.228 6.168 -3.013 12 HB2 GLU 3 HB2 GLU 3 0.080 7.136 -0.720 13 HB3 GLU 3 HB3 GLU 3 0.176 5.381 -0.743 14 HG2 GLU 3 HG2 GLU 3 2.686 5.698 -0.373 15 HG3 GLU 3 HG3 GLU 3 2.278 7.359 0.050 16 H VAL 4 H VAL 4 0.081 8.136 -3.865 17 HA VAL 4 HA VAL 4 2.150 10.125 -3.265 18 HB VAL 4 HB VAL 4 2.093 10.804 -5.710 19 HG11 VAL 4 HG11 VAL 4 3.486 8.559 -4.457 20 HG12 VAL 4 HG12 VAL 4 3.484 8.508 -6.220 21 HG13 VAL 4 HG13 VAL 4 4.125 9.920 -5.380 22 HG21 VAL 4 HG21 VAL 4 0.113 9.554 -6.372 23 HG22 VAL 4 HG22 VAL 4 1.510 9.046 -7.322 24 HG23 VAL 4 HG23 VAL 4 0.928 8.035 -5.998 25 H ARG 5 H ARG 5 1.514 12.326 -3.837 26 HA ARG 5 HA ARG 5 -1.280 12.811 -4.419 27 HB2 ARG 5 HB2 ARG 5 -1.884 13.840 -2.405 28 HB3 ARG 5 HB3 ARG 5 -1.021 12.396 -1.895 29 HG2 ARG 5 HG2 ARG 5 0.176 15.154 -2.057 30 HG3 ARG 5 HG3 ARG 5 -0.423 14.388 -0.584 31 HD2 ARG 5 HD2 ARG 5 1.210 12.471 -1.244 32 HD3 ARG 5 HD3 ARG 5 1.975 13.711 -2.235 33 HE ARG 5 HE ARG 5 2.881 14.571 -0.333 34 HH11 ARG 5 HH11 ARG 5 0.066 12.713 0.531 35 HH12 ARG 5 HH12 ARG 5 0.297 12.914 2.237 36 HH21 ARG 5 HH21 ARG 5 3.194 14.844 1.910 37 HH22 ARG 5 HH22 ARG 5 2.076 14.127 3.020 38 H ASP 6 H ASP 6 -1.607 14.760 -5.368 39 HA ASP 6 HA ASP 6 0.657 16.226 -6.262 40 HB2 ASP 6 HB2 ASP 6 -1.014 17.743 -7.288 41 HB3 ASP 6 HB3 ASP 6 -1.325 16.048 -7.654 42 H ALA 7 H ALA 7 1.803 17.519 -4.988 43 HA ALA 7 HA ALA 7 0.402 19.541 -3.409 44 HB1 ALA 7 HB1 ALA 7 0.795 18.465 -1.499 45 HB2 ALA 7 HB2 ALA 7 1.848 17.291 -2.289 46 HB3 ALA 7 HB3 ALA 7 2.501 18.838 -1.747 47 H TYR 8 H TYR 8 1.775 21.334 -2.777 48 HA TYR 8 HA TYR 8 3.568 22.080 -4.863 49 HB2 TYR 8 HB2 TYR 8 2.403 23.352 -2.469 50 HB3 TYR 8 HB3 TYR 8 3.975 23.973 -2.958 51 HD1 TYR 8 HD1 TYR 8 0.529 24.347 -3.374 52 HD2 TYR 8 HD2 TYR 8 4.168 24.452 -5.576 53 HE1 TYR 8 HE1 TYR 8 -0.558 25.729 -5.092 54 HE2 TYR 8 HE2 TYR 8 3.091 25.837 -7.301 55 HH TYR 8 HH TYR 8 -0.283 26.297 -7.444 56 H ILE 9 H ILE 9 5.506 21.144 -5.010 57 HA ILE 9 HA ILE 9 6.956 20.050 -2.859 58 HB ILE 9 HB ILE 9 7.245 19.468 -5.293 59 HG12 ILE 9 HG12 ILE 9 9.745 20.180 -3.743 60 HG13 ILE 9 HG13 ILE 9 8.809 18.701 -3.555 61 HG21 ILE 9 HG21 ILE 9 7.993 20.942 -6.785 62 HG22 ILE 9 HG22 ILE 9 7.757 22.179 -5.550 63 HG23 ILE 9 HG23 ILE 9 9.336 21.419 -5.746 64 HD11 ILE 9 HD11 ILE 9 9.936 17.737 -5.191 65 HD12 ILE 9 HD12 ILE 9 9.532 19.045 -6.301 66 HD13 ILE 9 HD13 ILE 9 10.963 19.168 -5.277 67 H ALA 10 H ALA 10 8.845 20.761 -1.821 68 HA ALA 10 HA ALA 10 9.697 23.517 -2.202 69 HB1 ALA 10 HB1 ALA 10 8.203 22.556 0.179 70 HB2 ALA 10 HB2 ALA 10 9.534 23.685 0.434 71 HB3 ALA 10 HB3 ALA 10 8.186 24.133 -0.610 72 H GLN 11 H GLN 11 11.819 23.804 -1.776 73 HA GLN 11 HA GLN 11 13.575 21.695 -1.599 74 HB2 GLN 11 HB2 GLN 11 15.215 23.464 -0.704 75 HB3 GLN 11 HB3 GLN 11 14.497 23.732 -2.286 76 HG2 GLN 11 HG2 GLN 11 12.952 25.320 -1.392 77 HG3 GLN 11 HG3 GLN 11 13.454 24.950 0.257 78 HE21 GLN 11 HE21 GLN 11 14.232 26.613 -2.672 79 HE22 GLN 11 HE22 GLN 11 15.558 27.528 -2.050 80 HA PRO 12 HA PRO 12 13.728 20.305 2.559 81 HB2 PRO 12 HB2 PRO 12 16.371 19.778 2.882 82 HB3 PRO 12 HB3 PRO 12 15.309 18.781 1.882 83 HG2 PRO 12 HG2 PRO 12 17.219 20.933 1.056 84 HG3 PRO 12 HG3 PRO 12 16.928 19.350 0.312 85 HD2 PRO 12 HD2 PRO 12 15.867 21.638 -0.673 86 HD3 PRO 12 HD3 PRO 12 15.037 20.073 -0.788 87 H HIS 13 H HIS 13 15.243 23.185 1.629 88 HA HIS 13 HA HIS 13 16.172 23.824 4.324 89 HB2 HIS 13 HB2 HIS 13 17.216 24.438 1.883 90 HB3 HIS 13 HB3 HIS 13 16.313 25.908 2.241 91 HD1 HIS 13 HD1 HIS 13 19.333 26.072 2.106 92 HD2 HIS 13 HD2 HIS 13 17.254 25.278 5.613 93 HE1 HIS 13 HE1 HIS 13 20.883 26.738 3.972 94 H ASN 14 H ASN 14 13.345 23.489 3.835 95 HA ASN 14 HA ASN 14 11.335 24.507 4.185 96 HB2 ASN 14 HB2 ASN 14 12.526 24.846 6.377 97 HB3 ASN 14 HB3 ASN 14 12.962 26.459 5.822 98 HD21 ASN 14 HD21 ASN 14 9.977 24.563 5.574 99 HD22 ASN 14 HD22 ASN 14 8.966 25.739 6.336 100 H CYS 15 H CYS 15 11.392 25.151 1.882 101 HA CYS 15 HA CYS 15 10.582 27.821 1.553 102 HB2 CYS 15 HB2 CYS 15 13.332 27.637 1.592 103 HB3 CYS 15 HB3 CYS 15 12.967 27.580 -0.129 104 H VAL 16 H VAL 16 10.003 28.323 -0.678 105 HA VAL 16 HA VAL 16 9.076 25.963 -2.053 106 HB VAL 16 HB VAL 16 7.974 27.529 -3.592 107 HG11 VAL 16 HG11 VAL 16 7.608 27.538 -0.686 108 HG12 VAL 16 HG12 VAL 16 6.865 28.905 -1.517 109 HG13 VAL 16 HG13 VAL 16 6.440 27.256 -1.978 110 HG21 VAL 16 HG21 VAL 16 9.770 29.455 -2.246 111 HG22 VAL 16 HG22 VAL 16 9.187 29.417 -3.911 112 HG23 VAL 16 HG23 VAL 16 8.142 30.019 -2.623 113 H TYR 17 H TYR 17 9.961 25.018 -3.778 114 HA TYR 17 HA TYR 17 12.542 25.559 -4.646 115 HB2 TYR 17 HB2 TYR 17 10.300 23.881 -5.605 116 HB3 TYR 17 HB3 TYR 17 11.546 24.252 -6.791 117 HD1 TYR 17 HD1 TYR 17 14.005 23.816 -6.029 118 HD2 TYR 17 HD2 TYR 17 10.595 22.082 -4.167 119 HE1 TYR 17 HE1 TYR 17 15.424 22.033 -5.106 120 HE2 TYR 17 HE2 TYR 17 12.004 20.294 -3.236 121 HH TYR 17 HH TYR 17 14.975 20.352 -2.766 122 H HIS 18 H HIS 18 13.126 27.482 -5.448 123 HA HIS 18 HA HIS 18 11.424 29.086 -7.085 124 HB2 HIS 18 HB2 HIS 18 13.455 29.735 -5.515 125 HB3 HIS 18 HB3 HIS 18 14.377 29.532 -7.001 126 HD1 HIS 18 HD1 HIS 18 12.897 30.881 -9.109 127 HD2 HIS 18 HD2 HIS 18 12.859 32.342 -5.221 128 HE1 HIS 18 HE1 HIS 18 12.266 33.308 -9.310 129 H CYS 19 H CYS 19 10.899 28.387 -9.061 130 HA CYS 19 HA CYS 19 13.009 27.235 -10.754 131 HB2 CYS 19 HB2 CYS 19 11.206 26.275 -12.097 132 HB3 CYS 19 HB3 CYS 19 11.036 25.806 -10.409 133 H PHE 20 H PHE 20 13.596 28.181 -12.632 134 HA PHE 20 HA PHE 20 12.986 30.904 -13.063 135 HB2 PHE 20 HB2 PHE 20 15.058 29.467 -13.790 136 HB3 PHE 20 HB3 PHE 20 14.104 29.178 -15.241 137 HD1 PHE 20 HD1 PHE 20 14.644 30.515 -17.012 138 HD2 PHE 20 HD2 PHE 20 14.927 32.110 -13.077 139 HE1 PHE 20 HE1 PHE 20 15.404 32.662 -17.941 140 HE2 PHE 20 HE2 PHE 20 15.686 34.260 -14.000 141 HZ PHE 20 HZ PHE 20 15.924 34.539 -16.435 142 H ARG 21 H ARG 21 11.915 27.936 -14.668 143 HA ARG 21 HA ARG 21 9.521 29.286 -15.580 144 HB2 ARG 21 HB2 ARG 21 9.840 28.559 -17.939 145 HB3 ARG 21 HB3 ARG 21 10.989 29.787 -17.425 146 HG2 ARG 21 HG2 ARG 21 12.720 28.133 -17.175 147 HG3 ARG 21 HG3 ARG 21 11.576 26.837 -17.530 148 HD2 ARG 21 HD2 ARG 21 12.934 27.354 -19.484 149 HD3 ARG 21 HD3 ARG 21 11.241 27.749 -19.774 150 HE ARG 21 HE ARG 21 12.575 30.036 -18.835 151 HH11 ARG 21 HH11 ARG 21 12.415 27.980 -21.639 152 HH12 ARG 21 HH12 ARG 21 12.861 29.235 -22.746 153 HH21 ARG 21 HH21 ARG 21 13.163 31.698 -20.282 154 HH22 ARG 21 HH22 ARG 21 13.287 31.350 -21.973 155 H ASP 22 H ASP 22 8.043 27.707 -16.725 156 HA ASP 22 HA ASP 22 7.499 25.526 -15.123 157 HB2 ASP 22 HB2 ASP 22 5.829 24.944 -16.657 158 HB3 ASP 22 HB3 ASP 22 6.035 26.674 -16.917 159 H SER 23 H SER 23 9.495 25.710 -18.014 160 HA SER 23 HA SER 23 9.838 22.989 -18.513 161 HB2 SER 23 HB2 SER 23 10.629 24.507 -20.156 162 HB3 SER 23 HB3 SER 23 11.635 25.365 -18.990 163 HG SER 23 HG SER 23 12.346 23.377 -20.550 164 H TYR 24 H TYR 24 11.299 25.068 -16.120 165 HA TYR 24 HA TYR 24 13.405 23.291 -15.391 166 HB2 TYR 24 HB2 TYR 24 13.195 25.830 -14.940 167 HB3 TYR 24 HB3 TYR 24 12.227 25.356 -13.549 168 HD1 TYR 24 HD1 TYR 24 13.263 24.765 -11.541 169 HD2 TYR 24 HD2 TYR 24 15.562 24.853 -15.118 170 HE1 TYR 24 HE1 TYR 24 15.312 24.424 -10.224 171 HE2 TYR 24 HE2 TYR 24 17.619 24.511 -13.813 172 HH TYR 24 HH TYR 24 18.229 23.515 -11.568 173 H CYS 25 H CYS 25 10.400 24.194 -13.689 174 HA CYS 25 HA CYS 25 10.585 22.243 -11.690 175 HB2 CYS 25 HB2 CYS 25 9.087 24.100 -11.408 176 HB3 CYS 25 HB3 CYS 25 8.186 23.662 -12.856 177 H ASN 26 H ASN 26 9.278 22.117 -14.941 178 HA ASN 26 HA ASN 26 7.775 19.791 -14.809 179 HB2 ASN 26 HB2 ASN 26 7.617 20.988 -16.819 180 HB3 ASN 26 HB3 ASN 26 9.366 21.065 -17.018 181 HD21 ASN 26 HD21 ASN 26 7.245 18.323 -16.317 182 HD22 ASN 26 HD22 ASN 26 7.680 17.405 -17.716 183 H ASP 27 H ASP 27 11.206 20.093 -15.733 184 HA ASP 27 HA ASP 27 11.602 17.252 -15.700 185 HB2 ASP 27 HB2 ASP 27 13.068 19.572 -16.563 186 HB3 ASP 27 HB3 ASP 27 14.106 18.550 -15.573 187 H LEU 28 H LEU 28 12.362 19.942 -13.542 188 HA LEU 28 HA LEU 28 13.999 18.691 -11.710 189 HB2 LEU 28 HB2 LEU 28 13.739 20.959 -11.375 190 HB3 LEU 28 HB3 LEU 28 11.983 20.881 -11.504 191 HG LEU 28 HG LEU 28 11.855 19.894 -9.275 192 HD11 LEU 28 HD11 LEU 28 14.593 19.349 -9.714 193 HD12 LEU 28 HD12 LEU 28 14.483 20.426 -8.322 194 HD13 LEU 28 HD13 LEU 28 13.595 18.903 -8.331 195 HD21 LEU 28 HD21 LEU 28 13.623 22.299 -9.028 196 HD22 LEU 28 HD22 LEU 28 12.016 22.427 -9.744 197 HD23 LEU 28 HD23 LEU 28 12.199 21.858 -8.085 198 H CYS 29 H CYS 29 10.513 18.483 -12.060 199 HA CYS 29 HA CYS 29 10.050 17.113 -9.603 200 HB2 CYS 29 HB2 CYS 29 8.423 17.531 -12.102 201 HB3 CYS 29 HB3 CYS 29 7.847 16.497 -10.797 202 H ILE 30 H ILE 30 10.728 16.118 -12.904 203 HA ILE 30 HA ILE 30 10.071 13.424 -12.762 204 HB ILE 30 HB ILE 30 12.411 14.617 -14.254 205 HG12 ILE 30 HG12 ILE 30 10.355 15.788 -14.818 206 HG13 ILE 30 HG13 ILE 30 10.830 14.751 -16.158 207 HG21 ILE 30 HG21 ILE 30 11.237 11.941 -14.129 208 HG22 ILE 30 HG22 ILE 30 11.433 12.567 -15.767 209 HG23 ILE 30 HG23 ILE 30 12.826 12.460 -14.692 210 HD11 ILE 30 HD11 ILE 30 8.729 14.086 -14.110 211 HD12 ILE 30 HD12 ILE 30 8.422 14.698 -15.736 212 HD13 ILE 30 HD13 ILE 30 9.170 13.116 -15.517 213 H LYS 31 H LYS 31 13.258 14.911 -12.162 214 HA LYS 31 HA LYS 31 14.649 12.650 -11.409 215 HB2 LYS 31 HB2 LYS 31 15.552 14.995 -11.726 216 HB3 LYS 31 HB3 LYS 31 14.988 15.347 -10.097 217 HG2 LYS 31 HG2 LYS 31 16.715 14.301 -9.150 218 HG3 LYS 31 HG3 LYS 31 16.623 12.936 -10.267 219 HD2 LYS 31 HD2 LYS 31 17.904 14.065 -11.902 220 HD3 LYS 31 HD3 LYS 31 17.734 15.614 -11.073 221 HE2 LYS 31 HE2 LYS 31 19.849 15.054 -10.417 222 HE3 LYS 31 HE3 LYS 31 18.925 14.301 -9.117 223 HZ1 LYS 31 HZ1 LYS 31 20.451 13.071 -11.260 224 HZ2 LYS 31 HZ2 LYS 31 20.156 12.523 -9.687 225 HZ3 LYS 31 HZ3 LYS 31 18.981 12.321 -10.886 226 H HIS 32 H HIS 32 12.614 14.749 -9.408 227 HA HIS 32 HA HIS 32 13.131 13.489 -6.946 228 HB2 HIS 32 HB2 HIS 32 10.905 15.212 -7.984 229 HB3 HIS 32 HB3 HIS 32 10.771 14.464 -6.396 230 HD1 HIS 32 HD1 HIS 32 11.378 16.095 -4.654 231 HD2 HIS 32 HD2 HIS 32 13.723 16.541 -8.055 232 HE1 HIS 32 HE1 HIS 32 12.979 17.961 -4.127 233 H GLY 33 H GLY 33 10.995 12.694 -9.586 234 HA2 GLY 33 HA2 GLY 33 10.423 10.314 -9.791 235 HA3 GLY 33 HA3 GLY 33 10.108 10.324 -8.062 236 H ALA 34 H ALA 34 9.118 12.902 -10.217 237 HA ALA 34 HA ALA 34 6.316 12.156 -9.700 238 HB1 ALA 34 HB1 ALA 34 7.635 14.548 -9.193 239 HB2 ALA 34 HB2 ALA 34 6.675 14.866 -10.638 240 HB3 ALA 34 HB3 ALA 34 5.892 14.275 -9.173 241 H GLU 35 H GLU 35 4.759 12.819 -11.411 242 HA GLU 35 HA GLU 35 5.529 11.724 -13.909 243 HB2 GLU 35 HB2 GLU 35 3.101 12.520 -12.619 244 HB3 GLU 35 HB3 GLU 35 3.142 13.223 -14.230 245 HG2 GLU 35 HG2 GLU 35 3.634 10.951 -15.130 246 HG3 GLU 35 HG3 GLU 35 3.368 10.314 -13.507 247 H SER 36 H SER 36 4.760 15.038 -12.881 248 HA SER 36 HA SER 36 6.581 16.128 -14.821 249 HB2 SER 36 HB2 SER 36 4.392 15.671 -16.078 250 HB3 SER 36 HB3 SER 36 3.697 16.966 -15.104 251 HG SER 36 HG SER 36 4.495 18.212 -16.595 252 H GLY 37 H GLY 37 5.940 18.721 -14.877 253 HA2 GLY 37 HA2 GLY 37 5.139 19.676 -12.268 254 HA3 GLY 37 HA3 GLY 37 6.858 19.838 -12.593 255 H GLU 38 H GLU 38 4.785 21.894 -12.176 256 HA GLU 38 HA GLU 38 5.471 23.534 -14.473 257 HB2 GLU 38 HB2 GLU 38 3.218 24.177 -15.002 258 HB3 GLU 38 HB3 GLU 38 3.315 22.422 -15.064 259 HG2 GLU 38 HG2 GLU 38 2.479 22.561 -12.606 260 HG3 GLU 38 HG3 GLU 38 1.947 24.173 -13.078 261 H CYS 39 H CYS 39 5.380 25.752 -14.064 262 HA CYS 39 HA CYS 39 5.495 26.444 -11.256 263 HB2 CYS 39 HB2 CYS 39 6.021 28.031 -13.773 264 HB3 CYS 39 HB3 CYS 39 6.164 28.704 -12.152 265 H LYS 40 H LYS 40 4.104 27.739 -10.150 266 HA LYS 40 HA LYS 40 1.790 28.824 -11.602 267 HB2 LYS 40 HB2 LYS 40 1.823 26.864 -9.384 268 HB3 LYS 40 HB3 LYS 40 0.641 28.159 -9.248 269 HG2 LYS 40 HG2 LYS 40 -0.567 27.437 -11.045 270 HG3 LYS 40 HG3 LYS 40 0.831 26.694 -11.826 271 HD2 LYS 40 HD2 LYS 40 0.795 24.999 -9.930 272 HD3 LYS 40 HD3 LYS 40 -0.797 25.645 -9.524 273 HE2 LYS 40 HE2 LYS 40 -1.705 24.973 -11.597 274 HE3 LYS 40 HE3 LYS 40 -0.110 24.666 -12.282 275 HZ1 LYS 40 HZ1 LYS 40 -1.748 22.814 -11.137 276 HZ2 LYS 40 HZ2 LYS 40 -0.100 22.614 -11.466 277 HZ3 LYS 40 HZ3 LYS 40 -0.602 23.116 -9.930 278 H TRP 41 H TRP 41 1.626 30.931 -11.263 279 HA TRP 41 HA TRP 41 3.074 32.199 -9.114 280 HB2 TRP 41 HB2 TRP 41 2.679 33.042 -11.568 281 HB3 TRP 41 HB3 TRP 41 1.172 33.667 -10.904 282 HD1 TRP 41 HD1 TRP 41 4.626 33.709 -9.159 283 HE1 TRP 41 HE1 TRP 41 5.230 36.159 -8.651 284 HE3 TRP 41 HE3 TRP 41 0.671 36.012 -11.438 285 HZ2 TRP 41 HZ2 TRP 41 4.171 38.727 -9.150 286 HZ3 TRP 41 HZ3 TRP 41 0.541 38.469 -11.376 287 HH2 TRP 41 HH2 TRP 41 2.255 39.796 -10.255 288 H PHE 42 H PHE 42 1.728 30.996 -7.485 289 HA PHE 42 HA PHE 42 -0.968 31.431 -7.037 290 HB2 PHE 42 HB2 PHE 42 0.218 29.789 -5.743 291 HB3 PHE 42 HB3 PHE 42 1.282 31.015 -5.063 292 HD1 PHE 42 HD1 PHE 42 -2.244 29.878 -5.155 293 HD2 PHE 42 HD2 PHE 42 0.726 32.115 -3.083 294 HE1 PHE 42 HE1 PHE 42 -3.780 30.147 -3.251 295 HE2 PHE 42 HE2 PHE 42 -0.804 32.386 -1.175 296 HZ PHE 42 HZ PHE 42 -3.060 31.400 -1.257 297 H THR 43 H THR 43 1.785 33.464 -6.250 298 HA THR 43 HA THR 43 0.100 35.772 -6.006 299 HB THR 43 HB THR 43 -0.066 34.705 -3.726 300 HG1 THR 43 HG1 THR 43 -0.358 36.702 -3.104 301 HG21 THR 43 HG21 THR 43 1.741 34.203 -2.499 302 HG22 THR 43 HG22 THR 43 2.660 34.378 -3.995 303 HG23 THR 43 HG23 THR 43 2.526 35.737 -2.878 304 H SER 44 H SER 44 1.662 37.610 -4.919 305 HA SER 44 HA SER 44 3.921 37.705 -6.743 306 HB2 SER 44 HB2 SER 44 2.929 39.825 -4.824 307 HB3 SER 44 HB3 SER 44 4.072 40.056 -6.147 308 HG SER 44 HG SER 44 2.451 40.239 -7.460 309 H SER 45 H SER 45 4.023 35.879 -4.483 310 HA SER 45 HA SER 45 6.162 37.083 -2.864 311 HB2 SER 45 HB2 SER 45 4.182 36.107 -1.667 312 HB3 SER 45 HB3 SER 45 4.637 34.528 -2.308 313 HG SER 45 HG SER 45 5.569 34.681 -0.317 314 H GLY 46 H GLY 46 6.139 35.712 -5.650 315 HA2 GLY 46 HA2 GLY 46 8.221 34.902 -6.575 316 HA3 GLY 46 HA3 GLY 46 8.483 34.017 -5.081 317 H ASN 47 H ASN 47 8.222 33.294 -8.053 318 HA ASN 47 HA ASN 47 5.913 31.672 -8.310 319 HB2 ASN 47 HB2 ASN 47 7.273 30.604 -10.196 320 HB3 ASN 47 HB3 ASN 47 6.944 32.328 -10.331 321 HD21 ASN 47 HD21 ASN 47 9.376 30.056 -9.129 322 HD22 ASN 47 HD22 ASN 47 10.741 31.032 -9.540 323 H ALA 48 H ALA 48 5.592 29.512 -7.963 324 HA ALA 48 HA ALA 48 7.733 28.096 -6.512 325 HB1 ALA 48 HB1 ALA 48 6.022 28.480 -4.948 326 HB2 ALA 48 HB2 ALA 48 4.756 28.068 -6.105 327 HB3 ALA 48 HB3 ALA 48 5.807 26.807 -5.461 328 H CYS 49 H CYS 49 7.621 25.706 -6.677 329 HA CYS 49 HA CYS 49 6.956 24.935 -9.429 330 HB2 CYS 49 HB2 CYS 49 9.265 24.566 -8.910 331 HB3 CYS 49 HB3 CYS 49 8.858 23.753 -7.402 332 H TRP 50 H TRP 50 5.213 23.742 -9.771 333 HA TRP 50 HA TRP 50 4.036 22.273 -7.520 334 HB2 TRP 50 HB2 TRP 50 2.488 23.806 -8.514 335 HB3 TRP 50 HB3 TRP 50 2.872 23.235 -10.136 336 HD1 TRP 50 HD1 TRP 50 1.783 20.911 -10.911 337 HE1 TRP 50 HE1 TRP 50 -0.243 19.590 -10.032 338 HE3 TRP 50 HE3 TRP 50 1.213 23.216 -6.384 339 HZ2 TRP 50 HZ2 TRP 50 -1.869 19.534 -7.726 340 HZ3 TRP 50 HZ3 TRP 50 -0.602 22.470 -4.901 341 HH2 TRP 50 HH2 TRP 50 -2.111 20.667 -5.559 342 H CYS 51 H CYS 51 4.306 20.152 -7.421 343 HA CYS 51 HA CYS 51 5.040 18.703 -9.870 344 HB2 CYS 51 HB2 CYS 51 5.500 18.104 -6.948 345 HB3 CYS 51 HB3 CYS 51 5.774 16.911 -8.216 346 H VAL 52 H VAL 52 4.043 16.731 -10.392 347 HA VAL 52 HA VAL 52 1.327 16.469 -9.314 348 HB VAL 52 HB VAL 52 2.512 15.318 -11.843 349 HG11 VAL 52 HG11 VAL 52 -0.097 15.115 -12.253 350 HG12 VAL 52 HG12 VAL 52 0.819 13.843 -11.447 351 HG13 VAL 52 HG13 VAL 52 -0.114 14.997 -10.493 352 HG21 VAL 52 HG21 VAL 52 1.079 16.962 -12.984 353 HG22 VAL 52 HG22 VAL 52 0.625 17.633 -11.418 354 HG23 VAL 52 HG23 VAL 52 2.298 17.732 -11.968 355 H LYS 53 H LYS 53 0.522 14.524 -8.563 356 HA LYS 53 HA LYS 53 0.733 12.680 -7.201 357 HB2 LYS 53 HB2 LYS 53 1.345 10.688 -8.456 358 HB3 LYS 53 HB3 LYS 53 0.378 11.761 -9.459 359 HG2 LYS 53 HG2 LYS 53 2.167 12.333 -10.805 360 HG3 LYS 53 HG3 LYS 53 3.360 11.877 -9.586 361 HD2 LYS 53 HD2 LYS 53 1.761 9.600 -10.287 362 HD3 LYS 53 HD3 LYS 53 2.424 10.338 -11.747 363 HE2 LYS 53 HE2 LYS 53 4.610 10.393 -10.205 364 HE3 LYS 53 HE3 LYS 53 3.799 8.998 -9.493 365 HZ1 LYS 53 HZ1 LYS 53 5.219 8.237 -11.226 366 HZ2 LYS 53 HZ2 LYS 53 3.626 8.074 -11.774 367 HZ3 LYS 53 HZ3 LYS 53 4.586 9.350 -12.332 368 H LEU 54 H LEU 54 2.724 14.482 -6.539 369 HA LEU 54 HA LEU 54 5.325 13.364 -6.563 370 HB2 LEU 54 HB2 LEU 54 4.453 15.791 -6.050 371 HB3 LEU 54 HB3 LEU 54 4.440 15.201 -4.390 372 HG LEU 54 HG LEU 54 6.837 14.731 -4.537 373 HD11 LEU 54 HD11 LEU 54 7.532 16.199 -6.860 374 HD12 LEU 54 HD12 LEU 54 7.846 14.502 -6.494 375 HD13 LEU 54 HD13 LEU 54 6.360 14.965 -7.326 376 HD21 LEU 54 HD21 LEU 54 6.749 16.789 -3.636 377 HD22 LEU 54 HD22 LEU 54 7.403 17.296 -5.193 378 HD23 LEU 54 HD23 LEU 54 5.670 17.407 -4.887 379 HA PRO 55 HA PRO 55 4.835 10.247 -3.462 380 HB2 PRO 55 HB2 PRO 55 7.472 9.738 -3.064 381 HB3 PRO 55 HB3 PRO 55 6.591 9.179 -4.490 382 HG2 PRO 55 HG2 PRO 55 8.385 11.555 -4.184 383 HG3 PRO 55 HG3 PRO 55 8.294 10.386 -5.514 384 HD2 PRO 55 HD2 PRO 55 7.145 12.834 -5.646 385 HD3 PRO 55 HD3 PRO 55 6.459 11.412 -6.458 386 H LYS 56 H LYS 56 4.899 10.085 -1.253 387 HA LYS 56 HA LYS 56 5.131 12.399 0.286 388 HB2 LYS 56 HB2 LYS 56 5.144 9.481 1.045 389 HB3 LYS 56 HB3 LYS 56 5.179 10.766 2.245 390 HG2 LYS 56 HG2 LYS 56 3.055 11.625 1.375 391 HG3 LYS 56 HG3 LYS 56 3.017 10.310 0.198 392 HD2 LYS 56 HD2 LYS 56 1.687 9.466 1.886 393 HD3 LYS 56 HD3 LYS 56 3.264 8.791 2.304 394 HE2 LYS 56 HE2 LYS 56 3.552 10.868 3.773 395 HE3 LYS 56 HE3 LYS 56 1.818 11.109 3.557 396 HZ1 LYS 56 HZ1 LYS 56 2.952 8.563 4.555 397 HZ2 LYS 56 HZ2 LYS 56 2.526 9.831 5.591 398 HZ3 LYS 56 HZ3 LYS 56 1.346 9.091 4.631 399 H SER 57 H SER 57 7.494 9.958 -0.540 400 HA SER 57 HA SER 57 9.440 10.376 1.371 401 HB2 SER 57 HB2 SER 57 9.713 9.738 -1.571 402 HB3 SER 57 HB3 SER 57 11.075 9.720 -0.450 403 HG SER 57 HG SER 57 10.370 7.678 -0.385 404 H GLU 58 H GLU 58 8.657 12.313 -1.454 405 HA GLU 58 HA GLU 58 10.943 14.032 -1.184 406 HB2 GLU 58 HB2 GLU 58 8.413 14.292 -2.816 407 HB3 GLU 58 HB3 GLU 58 9.760 15.418 -2.899 408 HG2 GLU 58 HG2 GLU 58 10.011 12.479 -3.476 409 HG3 GLU 58 HG3 GLU 58 9.695 13.700 -4.708 410 HA PRO 59 HA PRO 59 9.429 16.948 1.727 411 HB2 PRO 59 HB2 PRO 59 10.536 19.246 0.799 412 HB3 PRO 59 HB3 PRO 59 11.479 17.974 1.585 413 HG2 PRO 59 HG2 PRO 59 11.136 18.549 -1.332 414 HG3 PRO 59 HG3 PRO 59 12.609 18.123 -0.442 415 HD2 PRO 59 HD2 PRO 59 11.219 16.319 -1.906 416 HD3 PRO 59 HD3 PRO 59 12.103 15.874 -0.433 417 H ILE 60 H ILE 60 8.097 18.866 1.996 418 HA ILE 60 HA ILE 60 6.681 19.842 -0.349 419 HB ILE 60 HB ILE 60 4.456 19.425 0.746 420 HG12 ILE 60 HG12 ILE 60 6.079 17.493 2.419 421 HG13 ILE 60 HG13 ILE 60 5.318 18.965 3.014 422 HG21 ILE 60 HG21 ILE 60 5.789 16.813 0.155 423 HG22 ILE 60 HG22 ILE 60 4.182 17.376 -0.303 424 HG23 ILE 60 HG23 ILE 60 5.608 18.033 -1.105 425 HD11 ILE 60 HD11 ILE 60 3.343 17.411 1.696 426 HD12 ILE 60 HD12 ILE 60 4.223 16.373 2.817 427 HD13 ILE 60 HD13 ILE 60 3.455 17.850 3.401 428 H LYS 61 H LYS 61 5.651 21.819 -0.035 429 HA LYS 61 HA LYS 61 6.771 23.602 1.749 430 HB2 LYS 61 HB2 LYS 61 4.877 23.717 -0.301 431 HB3 LYS 61 HB3 LYS 61 4.039 24.347 1.112 432 HG2 LYS 61 HG2 LYS 61 6.657 25.347 0.008 433 HG3 LYS 61 HG3 LYS 61 5.085 26.136 -0.145 434 HD2 LYS 61 HD2 LYS 61 5.278 25.772 2.556 435 HD3 LYS 61 HD3 LYS 61 6.957 26.083 2.107 436 HE2 LYS 61 HE2 LYS 61 5.827 28.159 2.669 437 HE3 LYS 61 HE3 LYS 61 6.258 28.134 0.959 438 HZ1 LYS 61 HZ1 LYS 61 3.668 27.055 1.342 439 HZ2 LYS 61 HZ2 LYS 61 3.761 28.591 2.047 440 HZ3 LYS 61 HZ3 LYS 61 4.141 28.386 0.410 441 H VAL 62 H VAL 62 6.497 24.066 3.837 442 HA VAL 62 HA VAL 62 4.050 23.135 5.182 443 HB VAL 62 HB VAL 62 5.562 22.701 7.209 444 HG11 VAL 62 HG11 VAL 62 6.255 20.645 5.236 445 HG12 VAL 62 HG12 VAL 62 5.364 20.511 6.751 446 HG13 VAL 62 HG13 VAL 62 4.544 21.066 5.292 447 HG21 VAL 62 HG21 VAL 62 7.791 22.755 7.023 448 HG22 VAL 62 HG22 VAL 62 7.769 21.943 5.457 449 HG23 VAL 62 HG23 VAL 62 7.516 23.686 5.551 450 HA PRO 63 HA PRO 63 3.823 27.122 7.005 451 HB2 PRO 63 HB2 PRO 63 2.753 26.549 9.433 452 HB3 PRO 63 HB3 PRO 63 1.827 26.461 7.930 453 HG2 PRO 63 HG2 PRO 63 3.127 24.259 9.485 454 HG3 PRO 63 HG3 PRO 63 1.529 24.293 8.717 455 HD2 PRO 63 HD2 PRO 63 3.662 23.068 7.586 456 HD3 PRO 63 HD3 PRO 63 2.385 23.842 6.626 457 H GLY 64 H GLY 64 5.519 28.277 7.670 458 HA2 GLY 64 HA2 GLY 64 6.616 28.041 10.262 459 HA3 GLY 64 HA3 GLY 64 7.703 27.291 9.102 460 H LYS 65 H LYS 65 9.068 28.545 7.976 461 HA LYS 65 HA LYS 65 8.596 31.221 7.244 462 HB2 LYS 65 HB2 LYS 65 8.989 31.261 9.842 463 HB3 LYS 65 HB3 LYS 65 10.681 31.106 9.388 464 HG2 LYS 65 HG2 LYS 65 10.687 33.166 8.274 465 HG3 LYS 65 HG3 LYS 65 8.924 33.245 8.234 466 HD2 LYS 65 HD2 LYS 65 9.665 34.768 9.910 467 HD3 LYS 65 HD3 LYS 65 8.970 33.374 10.741 468 HE2 LYS 65 HE2 LYS 65 11.233 32.466 11.064 469 HE3 LYS 65 HE3 LYS 65 11.905 33.892 10.275 470 HZ1 LYS 65 HZ1 LYS 65 11.000 33.564 12.969 471 HZ2 LYS 65 HZ2 LYS 65 11.980 34.771 12.301 472 HZ3 LYS 65 HZ3 LYS 65 10.296 34.910 12.223 473 H CYS 66 H CYS 66 9.707 31.344 5.418 474 HA CYS 66 HA CYS 66 11.830 29.594 4.760 475 HB2 CYS 66 HB2 CYS 66 10.443 30.467 3.003 476 HB3 CYS 66 HB3 CYS 66 10.833 32.126 3.447 477 H HIS 67 H HIS 67 14.018 29.885 4.692 478 HA HIS 67 HA HIS 67 15.214 31.589 6.565 479 HB2 HIS 67 HB2 HIS 67 17.332 30.836 5.681 480 HB3 HIS 67 HB3 HIS 67 16.215 29.475 5.703 481 HD1 HIS 67 HD1 HIS 67 18.329 31.481 3.464 482 HD2 HIS 67 HD2 HIS 67 15.241 28.726 3.099 483 HE1 HIS 67 HE1 HIS 67 18.366 30.744 1.059 Start of MODEL 6 1 H1 GLY 1 H GLY 1 0.204 -1.670 -2.534 2 HA2 GLY 1 HA2 GLY 1 1.766 -0.617 -0.952 3 HA3 GLY 1 HA3 GLY 1 2.633 -1.157 -2.382 4 H GLU 2 H GLU 2 1.659 0.845 -4.164 5 HA GLU 2 HA GLU 2 3.486 2.948 -3.503 6 HB2 GLU 2 HB2 GLU 2 2.819 1.978 -5.840 7 HB3 GLU 2 HB3 GLU 2 1.502 3.138 -5.742 8 HG2 GLU 2 HG2 GLU 2 3.148 4.943 -5.440 9 HG3 GLU 2 HG3 GLU 2 4.444 3.762 -5.624 10 H GLU 3 H GLU 3 2.967 5.203 -3.356 11 HA GLU 3 HA GLU 3 0.241 6.019 -2.925 12 HB2 GLU 3 HB2 GLU 3 0.682 6.825 -0.589 13 HB3 GLU 3 HB3 GLU 3 0.584 5.078 -0.758 14 HG2 GLU 3 HG2 GLU 3 3.113 5.090 -0.892 15 HG3 GLU 3 HG3 GLU 3 3.031 6.769 -0.363 16 H VAL 4 H VAL 4 0.084 7.995 -3.735 17 HA VAL 4 HA VAL 4 2.203 9.943 -3.264 18 HB VAL 4 HB VAL 4 2.090 10.638 -5.702 19 HG11 VAL 4 HG11 VAL 4 3.780 8.962 -4.389 20 HG12 VAL 4 HG12 VAL 4 3.299 7.967 -5.763 21 HG13 VAL 4 HG13 VAL 4 4.027 9.550 -6.033 22 HG21 VAL 4 HG21 VAL 4 1.477 8.873 -7.308 23 HG22 VAL 4 HG22 VAL 4 0.897 7.880 -5.971 24 HG23 VAL 4 HG23 VAL 4 0.101 9.408 -6.344 25 H ARG 5 H ARG 5 1.544 12.127 -3.587 26 HA ARG 5 HA ARG 5 -1.287 12.597 -4.126 27 HB2 ARG 5 HB2 ARG 5 -1.770 13.645 -2.097 28 HB3 ARG 5 HB3 ARG 5 -0.835 12.237 -1.611 29 HG2 ARG 5 HG2 ARG 5 0.245 15.032 -1.910 30 HG3 ARG 5 HG3 ARG 5 -0.182 14.250 -0.387 31 HD2 ARG 5 HD2 ARG 5 1.469 12.395 -1.290 32 HD3 ARG 5 HD3 ARG 5 2.119 13.754 -2.207 33 HE ARG 5 HE ARG 5 3.083 14.494 -0.283 34 HH11 ARG 5 HH11 ARG 5 0.392 12.449 0.554 35 HH12 ARG 5 HH12 ARG 5 0.694 12.529 2.258 36 HH21 ARG 5 HH21 ARG 5 3.491 14.606 1.958 37 HH22 ARG 5 HH22 ARG 5 2.456 13.757 3.055 38 H ASP 6 H ASP 6 -1.774 14.727 -4.744 39 HA ASP 6 HA ASP 6 0.458 16.140 -5.913 40 HB2 ASP 6 HB2 ASP 6 -2.361 17.162 -5.945 41 HB3 ASP 6 HB3 ASP 6 -1.109 17.316 -7.174 42 H ALA 7 H ALA 7 1.601 17.566 -4.799 43 HA ALA 7 HA ALA 7 0.245 19.570 -3.192 44 HB1 ALA 7 HB1 ALA 7 1.719 17.347 -2.028 45 HB2 ALA 7 HB2 ALA 7 2.310 18.922 -1.498 46 HB3 ALA 7 HB3 ALA 7 0.614 18.494 -1.271 47 H TYR 8 H TYR 8 1.705 21.324 -2.528 48 HA TYR 8 HA TYR 8 3.469 22.025 -4.667 49 HB2 TYR 8 HB2 TYR 8 2.439 23.349 -2.212 50 HB3 TYR 8 HB3 TYR 8 3.939 23.971 -2.890 51 HD1 TYR 8 HD1 TYR 8 0.344 23.759 -3.265 52 HD2 TYR 8 HD2 TYR 8 3.961 24.872 -5.210 53 HE1 TYR 8 HE1 TYR 8 -0.946 25.056 -4.911 54 HE2 TYR 8 HE2 TYR 8 2.682 26.174 -6.859 55 HH TYR 8 HH TYR 8 0.339 27.342 -6.863 56 H ILE 9 H ILE 9 5.442 21.204 -4.842 57 HA ILE 9 HA ILE 9 6.883 20.043 -2.699 58 HB ILE 9 HB ILE 9 7.155 19.476 -5.141 59 HG12 ILE 9 HG12 ILE 9 9.659 20.159 -3.584 60 HG13 ILE 9 HG13 ILE 9 8.721 18.677 -3.427 61 HG21 ILE 9 HG21 ILE 9 9.256 21.423 -5.583 62 HG22 ILE 9 HG22 ILE 9 7.912 20.953 -6.626 63 HG23 ILE 9 HG23 ILE 9 7.677 22.184 -5.385 64 HD11 ILE 9 HD11 ILE 9 9.874 17.745 -5.061 65 HD12 ILE 9 HD12 ILE 9 9.436 19.050 -6.163 66 HD13 ILE 9 HD13 ILE 9 10.873 19.195 -5.152 67 H ALA 10 H ALA 10 8.779 20.741 -1.667 68 HA ALA 10 HA ALA 10 9.612 23.510 -2.025 69 HB1 ALA 10 HB1 ALA 10 8.201 22.474 0.375 70 HB2 ALA 10 HB2 ALA 10 9.527 23.611 0.620 71 HB3 ALA 10 HB3 ALA 10 8.144 24.071 -0.374 72 H GLN 11 H GLN 11 11.738 23.838 -1.592 73 HA GLN 11 HA GLN 11 13.532 21.749 -1.554 74 HB2 GLN 11 HB2 GLN 11 15.162 23.506 -0.617 75 HB3 GLN 11 HB3 GLN 11 14.407 23.826 -2.173 76 HG2 GLN 11 HG2 GLN 11 12.880 25.368 -1.207 77 HG3 GLN 11 HG3 GLN 11 13.362 24.911 0.426 78 HE21 GLN 11 HE21 GLN 11 14.417 26.493 -2.523 79 HE22 GLN 11 HE22 GLN 11 15.635 27.471 -1.785 80 HA PRO 12 HA PRO 12 13.793 20.185 2.535 81 HB2 PRO 12 HB2 PRO 12 16.450 19.681 2.778 82 HB3 PRO 12 HB3 PRO 12 15.378 18.713 1.759 83 HG2 PRO 12 HG2 PRO 12 17.241 20.924 0.984 84 HG3 PRO 12 HG3 PRO 12 16.954 19.369 0.180 85 HD2 PRO 12 HD2 PRO 12 15.842 21.682 -0.683 86 HD3 PRO 12 HD3 PRO 12 15.029 20.112 -0.847 87 H HIS 13 H HIS 13 15.313 23.104 1.689 88 HA HIS 13 HA HIS 13 16.241 23.646 4.405 89 HB2 HIS 13 HB2 HIS 13 16.619 24.990 1.751 90 HB3 HIS 13 HB3 HIS 13 16.901 25.891 3.238 91 HD1 HIS 13 HD1 HIS 13 19.396 25.880 2.034 92 HD2 HIS 13 HD2 HIS 13 18.074 22.360 3.802 93 HE1 HIS 13 HE1 HIS 13 21.462 24.495 2.401 94 H ASN 14 H ASN 14 13.416 23.354 3.910 95 HA ASN 14 HA ASN 14 11.414 24.381 4.287 96 HB2 ASN 14 HB2 ASN 14 12.676 24.671 6.478 97 HB3 ASN 14 HB3 ASN 14 13.008 26.321 5.961 98 HD21 ASN 14 HD21 ASN 14 10.136 24.253 5.746 99 HD22 ASN 14 HD22 ASN 14 9.075 25.353 6.551 100 H CYS 15 H CYS 15 11.480 25.083 1.999 101 HA CYS 15 HA CYS 15 10.708 27.779 1.748 102 HB2 CYS 15 HB2 CYS 15 13.525 27.317 1.523 103 HB3 CYS 15 HB3 CYS 15 12.901 27.781 -0.057 104 H VAL 16 H VAL 16 10.324 28.380 -0.578 105 HA VAL 16 HA VAL 16 9.290 26.042 -1.972 106 HB VAL 16 HB VAL 16 8.205 27.714 -3.471 107 HG11 VAL 16 HG11 VAL 16 6.653 27.143 -1.939 108 HG12 VAL 16 HG12 VAL 16 7.731 27.443 -0.577 109 HG13 VAL 16 HG13 VAL 16 6.909 28.790 -1.363 110 HG21 VAL 16 HG21 VAL 16 10.078 29.458 -2.267 111 HG22 VAL 16 HG22 VAL 16 8.881 29.829 -3.508 112 HG23 VAL 16 HG23 VAL 16 8.469 30.010 -1.802 113 H TYR 17 H TYR 17 10.101 25.224 -3.807 114 HA TYR 17 HA TYR 17 12.683 25.863 -4.677 115 HB2 TYR 17 HB2 TYR 17 10.476 24.139 -5.671 116 HB3 TYR 17 HB3 TYR 17 11.749 24.549 -6.817 117 HD1 TYR 17 HD1 TYR 17 14.204 24.199 -5.905 118 HD2 TYR 17 HD2 TYR 17 10.751 22.269 -4.342 119 HE1 TYR 17 HE1 TYR 17 15.628 22.429 -4.965 120 HE2 TYR 17 HE2 TYR 17 12.165 20.492 -3.397 121 HH TYR 17 HH TYR 17 14.338 19.971 -2.837 122 H HIS 18 H HIS 18 13.334 27.625 -5.702 123 HA HIS 18 HA HIS 18 11.498 29.315 -7.130 124 HB2 HIS 18 HB2 HIS 18 13.563 30.012 -5.720 125 HB3 HIS 18 HB3 HIS 18 14.484 29.641 -7.175 126 HD1 HIS 18 HD1 HIS 18 14.860 31.608 -8.608 127 HD2 HIS 18 HD2 HIS 18 11.332 31.943 -6.441 128 HE1 HIS 18 HE1 HIS 18 13.911 33.859 -9.210 129 H CYS 19 H CYS 19 10.815 28.697 -9.079 130 HA CYS 19 HA CYS 19 12.743 27.469 -10.928 131 HB2 CYS 19 HB2 CYS 19 10.862 26.537 -12.110 132 HB3 CYS 19 HB3 CYS 19 10.664 26.187 -10.397 133 H PHE 20 H PHE 20 13.132 28.331 -12.923 134 HA PHE 20 HA PHE 20 12.455 31.117 -13.266 135 HB2 PHE 20 HB2 PHE 20 14.180 29.187 -14.814 136 HB3 PHE 20 HB3 PHE 20 13.857 30.819 -15.389 137 HD1 PHE 20 HD1 PHE 20 14.311 32.712 -13.604 138 HD2 PHE 20 HD2 PHE 20 16.054 28.829 -13.542 139 HE1 PHE 20 HE1 PHE 20 16.157 33.565 -12.217 140 HE2 PHE 20 HE2 PHE 20 17.901 29.676 -12.155 141 HZ PHE 20 HZ PHE 20 17.953 32.046 -11.490 142 H ARG 21 H ARG 21 11.647 28.042 -14.773 143 HA ARG 21 HA ARG 21 9.315 29.248 -15.995 144 HB2 ARG 21 HB2 ARG 21 9.847 28.328 -18.246 145 HB3 ARG 21 HB3 ARG 21 10.921 29.629 -17.748 146 HG2 ARG 21 HG2 ARG 21 12.688 28.114 -17.291 147 HG3 ARG 21 HG3 ARG 21 11.617 26.721 -17.447 148 HD2 ARG 21 HD2 ARG 21 11.271 27.322 -19.830 149 HD3 ARG 21 HD3 ARG 21 12.459 28.611 -19.640 150 HE ARG 21 HE ARG 21 13.588 26.169 -18.817 151 HH11 ARG 21 HH11 ARG 21 12.549 27.826 -21.696 152 HH12 ARG 21 HH12 ARG 21 13.672 27.007 -22.731 153 HH21 ARG 21 HH21 ARG 21 15.071 25.084 -20.167 154 HH22 ARG 21 HH22 ARG 21 15.106 25.447 -21.859 155 H ASP 22 H ASP 22 7.849 27.626 -16.913 156 HA ASP 22 HA ASP 22 7.369 25.500 -15.216 157 HB2 ASP 22 HB2 ASP 22 5.804 24.674 -16.907 158 HB3 ASP 22 HB3 ASP 22 5.686 26.425 -16.752 159 H SER 23 H SER 23 9.083 25.499 -18.318 160 HA SER 23 HA SER 23 9.480 22.791 -18.661 161 HB2 SER 23 HB2 SER 23 10.227 24.071 -20.450 162 HB3 SER 23 HB3 SER 23 11.085 25.209 -19.411 163 HG SER 23 HG SER 23 11.861 22.506 -19.787 164 H TYR 24 H TYR 24 11.043 24.977 -16.437 165 HA TYR 24 HA TYR 24 13.194 23.232 -15.744 166 HB2 TYR 24 HB2 TYR 24 13.241 25.707 -15.424 167 HB3 TYR 24 HB3 TYR 24 12.052 25.527 -14.138 168 HD1 TYR 24 HD1 TYR 24 12.675 24.341 -12.043 169 HD2 TYR 24 HD2 TYR 24 15.548 25.244 -15.049 170 HE1 TYR 24 HE1 TYR 24 14.482 23.969 -10.417 171 HE2 TYR 24 HE2 TYR 24 17.364 24.872 -13.432 172 HH TYR 24 HH TYR 24 17.750 23.686 -11.336 173 H CYS 25 H CYS 25 10.232 24.201 -14.006 174 HA CYS 25 HA CYS 25 10.524 22.415 -11.868 175 HB2 CYS 25 HB2 CYS 25 8.982 24.250 -11.688 176 HB3 CYS 25 HB3 CYS 25 8.057 23.677 -13.072 177 H ASN 26 H ASN 26 9.096 22.018 -15.051 178 HA ASN 26 HA ASN 26 7.692 19.651 -14.684 179 HB2 ASN 26 HB2 ASN 26 7.720 21.088 -16.756 180 HB3 ASN 26 HB3 ASN 26 9.270 20.358 -17.163 181 HD21 ASN 26 HD21 ASN 26 9.271 17.946 -17.238 182 HD22 ASN 26 HD22 ASN 26 7.889 17.177 -17.933 183 H ASP 27 H ASP 27 11.029 19.982 -15.908 184 HA ASP 27 HA ASP 27 11.558 17.187 -15.706 185 HB2 ASP 27 HB2 ASP 27 12.822 19.441 -16.851 186 HB3 ASP 27 HB3 ASP 27 13.974 18.742 -15.716 187 H LEU 28 H LEU 28 12.165 19.981 -13.659 188 HA LEU 28 HA LEU 28 13.964 18.886 -11.850 189 HB2 LEU 28 HB2 LEU 28 13.623 21.156 -11.607 190 HB3 LEU 28 HB3 LEU 28 11.868 21.002 -11.668 191 HG LEU 28 HG LEU 28 11.841 20.136 -9.397 192 HD11 LEU 28 HD11 LEU 28 13.653 19.069 -8.672 193 HD12 LEU 28 HD12 LEU 28 14.679 19.820 -9.893 194 HD13 LEU 28 HD13 LEU 28 14.358 20.659 -8.375 195 HD21 LEU 28 HD21 LEU 28 11.962 22.177 -8.441 196 HD22 LEU 28 HD22 LEU 28 13.587 22.488 -9.050 197 HD23 LEU 28 HD23 LEU 28 12.193 22.705 -10.107 198 H CYS 29 H CYS 29 10.471 18.556 -12.046 199 HA CYS 29 HA CYS 29 10.147 17.271 -9.527 200 HB2 CYS 29 HB2 CYS 29 8.428 17.550 -11.976 201 HB3 CYS 29 HB3 CYS 29 7.937 16.503 -10.649 202 H ILE 30 H ILE 30 10.771 16.156 -12.796 203 HA ILE 30 HA ILE 30 10.224 13.443 -12.502 204 HB ILE 30 HB ILE 30 12.457 14.630 -14.150 205 HG12 ILE 30 HG12 ILE 30 10.372 15.759 -14.672 206 HG13 ILE 30 HG13 ILE 30 10.784 14.662 -15.984 207 HG21 ILE 30 HG21 ILE 30 12.855 12.554 -14.818 208 HG22 ILE 30 HG22 ILE 30 11.601 11.956 -13.731 209 HG23 ILE 30 HG23 ILE 30 11.189 12.414 -15.383 210 HD11 ILE 30 HD11 ILE 30 8.402 14.617 -15.439 211 HD12 ILE 30 HD12 ILE 30 9.170 13.051 -15.178 212 HD13 ILE 30 HD13 ILE 30 8.794 14.088 -13.803 213 H LYS 31 H LYS 31 13.327 15.133 -12.043 214 HA LYS 31 HA LYS 31 14.876 12.970 -11.283 215 HB2 LYS 31 HB2 LYS 31 15.855 15.143 -11.717 216 HB3 LYS 31 HB3 LYS 31 15.011 15.839 -10.340 217 HG2 LYS 31 HG2 LYS 31 16.818 13.543 -9.833 218 HG3 LYS 31 HG3 LYS 31 17.547 15.104 -10.214 219 HD2 LYS 31 HD2 LYS 31 15.930 16.026 -8.414 220 HD3 LYS 31 HD3 LYS 31 15.807 14.342 -7.895 221 HE2 LYS 31 HE2 LYS 31 17.517 15.335 -6.588 222 HE3 LYS 31 HE3 LYS 31 18.322 14.313 -7.779 223 HZ1 LYS 31 HZ1 LYS 31 18.699 17.039 -7.318 224 HZ2 LYS 31 HZ2 LYS 31 19.447 16.066 -8.482 225 HZ3 LYS 31 HZ3 LYS 31 18.014 16.884 -8.858 226 H HIS 32 H HIS 32 12.615 14.874 -9.383 227 HA HIS 32 HA HIS 32 13.342 13.741 -6.866 228 HB2 HIS 32 HB2 HIS 32 10.967 15.333 -7.818 229 HB3 HIS 32 HB3 HIS 32 11.068 14.708 -6.174 230 HD1 HIS 32 HD1 HIS 32 11.619 16.636 -4.729 231 HD2 HIS 32 HD2 HIS 32 13.831 16.658 -8.246 232 HE1 HIS 32 HE1 HIS 32 13.198 18.582 -4.518 233 H GLY 33 H GLY 33 11.130 12.874 -9.423 234 HA2 GLY 33 HA2 GLY 33 10.624 10.459 -9.549 235 HA3 GLY 33 HA3 GLY 33 10.305 10.530 -7.822 236 H ALA 34 H ALA 34 9.282 13.008 -10.078 237 HA ALA 34 HA ALA 34 6.491 12.243 -9.535 238 HB1 ALA 34 HB1 ALA 34 7.804 14.693 -9.185 239 HB2 ALA 34 HB2 ALA 34 6.743 14.905 -10.579 240 HB3 ALA 34 HB3 ALA 34 6.077 14.366 -9.037 241 H GLU 35 H GLU 35 4.925 12.756 -11.266 242 HA GLU 35 HA GLU 35 5.780 11.642 -13.742 243 HB2 GLU 35 HB2 GLU 35 3.538 11.218 -12.958 244 HB3 GLU 35 HB3 GLU 35 3.181 12.939 -12.916 245 HG2 GLU 35 HG2 GLU 35 4.024 11.809 -15.514 246 HG3 GLU 35 HG3 GLU 35 2.431 11.350 -14.913 247 H SER 36 H SER 36 4.864 14.899 -12.698 248 HA SER 36 HA SER 36 6.481 16.078 -14.760 249 HB2 SER 36 HB2 SER 36 4.479 17.456 -15.621 250 HB3 SER 36 HB3 SER 36 4.633 15.795 -16.193 251 HG SER 36 HG SER 36 2.533 16.058 -15.557 252 H GLY 37 H GLY 37 5.817 18.624 -14.762 253 HA2 GLY 37 HA2 GLY 37 5.040 19.591 -12.158 254 HA3 GLY 37 HA3 GLY 37 6.762 19.739 -12.472 255 H GLU 38 H GLU 38 4.591 21.767 -12.116 256 HA GLU 38 HA GLU 38 5.294 23.377 -14.450 257 HB2 GLU 38 HB2 GLU 38 3.031 24.091 -14.849 258 HB3 GLU 38 HB3 GLU 38 3.080 22.336 -14.906 259 HG2 GLU 38 HG2 GLU 38 2.402 22.524 -12.393 260 HG3 GLU 38 HG3 GLU 38 1.856 24.131 -12.870 261 H CYS 39 H CYS 39 4.937 25.678 -14.124 262 HA CYS 39 HA CYS 39 5.417 26.413 -11.347 263 HB2 CYS 39 HB2 CYS 39 5.754 27.837 -13.977 264 HB3 CYS 39 HB3 CYS 39 5.827 28.713 -12.452 265 H LYS 40 H LYS 40 3.944 27.323 -10.075 266 HA LYS 40 HA LYS 40 1.521 28.446 -11.325 267 HB2 LYS 40 HB2 LYS 40 1.862 26.493 -9.150 268 HB3 LYS 40 HB3 LYS 40 0.717 27.781 -8.797 269 HG2 LYS 40 HG2 LYS 40 -0.721 27.147 -10.488 270 HG3 LYS 40 HG3 LYS 40 0.539 26.296 -11.382 271 HD2 LYS 40 HD2 LYS 40 -0.021 24.385 -10.393 272 HD3 LYS 40 HD3 LYS 40 0.267 25.099 -8.806 273 HE2 LYS 40 HE2 LYS 40 -2.020 24.208 -9.049 274 HE3 LYS 40 HE3 LYS 40 -1.996 25.942 -8.734 275 HZ1 LYS 40 HZ1 LYS 40 -2.138 24.910 -11.494 276 HZ2 LYS 40 HZ2 LYS 40 -3.536 25.063 -10.555 277 HZ3 LYS 40 HZ3 LYS 40 -2.598 26.428 -10.904 278 H TRP 41 H TRP 41 1.301 30.551 -11.012 279 HA TRP 41 HA TRP 41 2.908 31.931 -9.053 280 HB2 TRP 41 HB2 TRP 41 2.214 32.692 -11.471 281 HB3 TRP 41 HB3 TRP 41 0.769 33.283 -10.655 282 HD1 TRP 41 HD1 TRP 41 4.469 33.497 -9.496 283 HE1 TRP 41 HE1 TRP 41 5.010 35.972 -9.039 284 HE3 TRP 41 HE3 TRP 41 0.022 35.577 -10.923 285 HZ2 TRP 41 HZ2 TRP 41 3.721 38.474 -9.254 286 HZ3 TRP 41 HZ3 TRP 41 -0.242 38.018 -10.766 287 HH2 TRP 41 HH2 TRP 41 1.570 39.435 -9.948 288 H PHE 42 H PHE 42 2.224 31.627 -7.002 289 HA PHE 42 HA PHE 42 -0.608 31.749 -6.360 290 HB2 PHE 42 HB2 PHE 42 0.817 30.057 -5.272 291 HB3 PHE 42 HB3 PHE 42 1.789 31.340 -4.559 292 HD1 PHE 42 HD1 PHE 42 -1.436 29.609 -4.480 293 HD2 PHE 42 HD2 PHE 42 0.986 32.616 -2.687 294 HE1 PHE 42 HE1 PHE 42 -2.951 29.670 -2.542 295 HE2 PHE 42 HE2 PHE 42 -0.525 32.680 -0.747 296 HZ PHE 42 HZ PHE 42 -2.496 31.206 -0.672 297 H THR 43 H THR 43 2.312 33.653 -5.927 298 HA THR 43 HA THR 43 0.734 36.011 -5.402 299 HB THR 43 HB THR 43 1.013 34.950 -3.139 300 HG1 THR 43 HG1 THR 43 1.998 37.022 -2.274 301 HG21 THR 43 HG21 THR 43 3.653 34.614 -3.989 302 HG22 THR 43 HG22 THR 43 3.724 35.868 -2.751 303 HG23 THR 43 HG23 THR 43 3.008 34.301 -2.378 304 H SER 44 H SER 44 2.484 37.840 -4.703 305 HA SER 44 HA SER 44 4.346 37.875 -6.932 306 HB2 SER 44 HB2 SER 44 4.452 40.197 -6.652 307 HB3 SER 44 HB3 SER 44 2.797 39.818 -6.176 308 HG SER 44 HG SER 44 3.724 41.169 -4.638 309 H SER 45 H SER 45 4.864 36.104 -4.672 310 HA SER 45 HA SER 45 7.292 37.317 -3.542 311 HB2 SER 45 HB2 SER 45 5.713 36.492 -1.868 312 HB3 SER 45 HB3 SER 45 5.718 34.899 -2.624 313 HG SER 45 HG SER 45 7.477 34.456 -1.577 314 H GLY 46 H GLY 46 6.711 35.867 -6.224 315 HA2 GLY 46 HA2 GLY 46 8.564 34.989 -7.508 316 HA3 GLY 46 HA3 GLY 46 9.096 34.141 -6.064 317 H ASN 47 H ASN 47 8.323 33.291 -8.880 318 HA ASN 47 HA ASN 47 5.956 31.746 -8.686 319 HB2 ASN 47 HB2 ASN 47 6.974 30.536 -10.703 320 HB3 ASN 47 HB3 ASN 47 6.673 32.263 -10.876 321 HD21 ASN 47 HD21 ASN 47 8.222 32.159 -12.601 322 HD22 ASN 47 HD22 ASN 47 9.911 32.216 -12.243 323 H ALA 48 H ALA 48 5.609 29.676 -8.061 324 HA ALA 48 HA ALA 48 7.880 28.282 -6.817 325 HB1 ALA 48 HB1 ALA 48 4.939 28.281 -6.240 326 HB2 ALA 48 HB2 ALA 48 5.982 26.976 -5.673 327 HB3 ALA 48 HB3 ALA 48 6.285 28.635 -5.157 328 H CYS 49 H CYS 49 7.817 25.889 -6.900 329 HA CYS 49 HA CYS 49 7.023 25.013 -9.587 330 HB2 CYS 49 HB2 CYS 49 9.371 24.722 -9.170 331 HB3 CYS 49 HB3 CYS 49 9.054 23.928 -7.630 332 H TRP 50 H TRP 50 5.318 23.739 -9.808 333 HA TRP 50 HA TRP 50 4.244 22.383 -7.445 334 HB2 TRP 50 HB2 TRP 50 2.589 23.715 -8.498 335 HB3 TRP 50 HB3 TRP 50 3.042 23.147 -10.102 336 HD1 TRP 50 HD1 TRP 50 2.209 20.668 -10.801 337 HE1 TRP 50 HE1 TRP 50 0.232 19.252 -9.959 338 HE3 TRP 50 HE3 TRP 50 1.211 23.174 -6.458 339 HZ2 TRP 50 HZ2 TRP 50 -1.520 19.205 -7.745 340 HZ3 TRP 50 HZ3 TRP 50 -0.633 22.379 -5.035 341 HH2 TRP 50 HH2 TRP 50 -1.968 20.436 -5.668 342 H CYS 51 H CYS 51 4.027 20.206 -7.301 343 HA CYS 51 HA CYS 51 5.007 18.614 -9.580 344 HB2 CYS 51 HB2 CYS 51 5.522 18.311 -6.629 345 HB3 CYS 51 HB3 CYS 51 5.714 16.956 -7.737 346 H VAL 52 H VAL 52 3.835 16.870 -10.195 347 HA VAL 52 HA VAL 52 1.236 16.516 -8.898 348 HB VAL 52 HB VAL 52 1.193 16.891 -11.305 349 HG11 VAL 52 HG11 VAL 52 3.101 14.592 -11.323 350 HG12 VAL 52 HG12 VAL 52 2.060 14.882 -12.716 351 HG13 VAL 52 HG13 VAL 52 3.188 16.129 -12.183 352 HG21 VAL 52 HG21 VAL 52 -0.481 15.415 -11.684 353 HG22 VAL 52 HG22 VAL 52 0.488 14.024 -11.195 354 HG23 VAL 52 HG23 VAL 52 -0.246 15.061 -9.972 355 H LYS 53 H LYS 53 0.458 14.502 -8.245 356 HA LYS 53 HA LYS 53 0.737 12.595 -6.988 357 HB2 LYS 53 HB2 LYS 53 1.372 10.684 -8.350 358 HB3 LYS 53 HB3 LYS 53 0.361 11.779 -9.283 359 HG2 LYS 53 HG2 LYS 53 2.124 12.477 -10.617 360 HG3 LYS 53 HG3 LYS 53 3.342 11.950 -9.453 361 HD2 LYS 53 HD2 LYS 53 1.868 9.658 -10.152 362 HD3 LYS 53 HD3 LYS 53 2.200 10.515 -11.659 363 HE2 LYS 53 HE2 LYS 53 4.409 10.100 -11.554 364 HE3 LYS 53 HE3 LYS 53 4.474 10.350 -9.809 365 HZ1 LYS 53 HZ1 LYS 53 4.948 8.102 -10.117 366 HZ2 LYS 53 HZ2 LYS 53 3.320 8.110 -9.657 367 HZ3 LYS 53 HZ3 LYS 53 3.739 7.893 -11.281 368 H LEU 54 H LEU 54 2.704 14.421 -6.289 369 HA LEU 54 HA LEU 54 5.320 13.316 -6.398 370 HB2 LEU 54 HB2 LEU 54 4.486 15.743 -5.882 371 HB3 LEU 54 HB3 LEU 54 4.453 15.162 -4.219 372 HG LEU 54 HG LEU 54 6.853 14.645 -4.370 373 HD11 LEU 54 HD11 LEU 54 7.874 14.476 -6.326 374 HD12 LEU 54 HD12 LEU 54 6.385 14.943 -7.148 375 HD13 LEU 54 HD13 LEU 54 7.546 16.177 -6.658 376 HD21 LEU 54 HD21 LEU 54 7.486 17.191 -4.893 377 HD22 LEU 54 HD22 LEU 54 5.740 17.362 -4.718 378 HD23 LEU 54 HD23 LEU 54 6.696 16.685 -3.400 379 HA PRO 55 HA PRO 55 4.903 10.198 -3.291 380 HB2 PRO 55 HB2 PRO 55 7.549 9.712 -2.926 381 HB3 PRO 55 HB3 PRO 55 6.655 9.147 -4.341 382 HG2 PRO 55 HG2 PRO 55 8.434 11.538 -4.055 383 HG3 PRO 55 HG3 PRO 55 8.336 10.369 -5.385 384 HD2 PRO 55 HD2 PRO 55 7.164 12.807 -5.499 385 HD3 PRO 55 HD3 PRO 55 6.480 11.381 -6.305 386 H LYS 56 H LYS 56 4.905 10.096 -1.094 387 HA LYS 56 HA LYS 56 5.189 12.400 0.437 388 HB2 LYS 56 HB2 LYS 56 5.120 9.482 1.178 389 HB3 LYS 56 HB3 LYS 56 5.250 10.741 2.400 390 HG2 LYS 56 HG2 LYS 56 3.109 11.444 2.107 391 HG3 LYS 56 HG3 LYS 56 3.075 10.991 0.400 392 HD2 LYS 56 HD2 LYS 56 1.606 9.543 1.672 393 HD3 LYS 56 HD3 LYS 56 2.977 8.617 1.057 394 HE2 LYS 56 HE2 LYS 56 2.531 7.994 3.350 395 HE3 LYS 56 HE3 LYS 56 4.076 8.838 3.252 396 HZ1 LYS 56 HZ1 LYS 56 2.776 9.599 5.136 397 HZ2 LYS 56 HZ2 LYS 56 2.979 10.852 4.018 398 HZ3 LYS 56 HZ3 LYS 56 1.500 10.038 4.117 399 H SER 57 H SER 57 7.517 9.924 -0.379 400 HA SER 57 HA SER 57 9.469 10.318 1.531 401 HB2 SER 57 HB2 SER 57 9.403 8.652 -0.444 402 HB3 SER 57 HB3 SER 57 10.178 9.936 -1.371 403 HG SER 57 HG SER 57 11.503 8.274 -0.118 404 H GLU 58 H GLU 58 8.703 12.270 -1.286 405 HA GLU 58 HA GLU 58 11.014 13.962 -1.006 406 HB2 GLU 58 HB2 GLU 58 8.529 14.115 -2.704 407 HB3 GLU 58 HB3 GLU 58 9.743 15.387 -2.699 408 HG2 GLU 58 HG2 GLU 58 10.090 12.525 -3.549 409 HG3 GLU 58 HG3 GLU 58 10.166 13.968 -4.559 410 HA PRO 59 HA PRO 59 9.503 16.924 1.856 411 HB2 PRO 59 HB2 PRO 59 10.587 19.218 0.889 412 HB3 PRO 59 HB3 PRO 59 11.545 17.963 1.686 413 HG2 PRO 59 HG2 PRO 59 11.176 18.496 -1.237 414 HG3 PRO 59 HG3 PRO 59 12.659 18.092 -0.352 415 HD2 PRO 59 HD2 PRO 59 11.271 16.259 -1.781 416 HD3 PRO 59 HD3 PRO 59 12.169 15.841 -0.309 417 H ILE 60 H ILE 60 8.126 18.791 2.124 418 HA ILE 60 HA ILE 60 6.709 19.766 -0.222 419 HB ILE 60 HB ILE 60 4.484 19.302 0.859 420 HG12 ILE 60 HG12 ILE 60 6.133 17.381 2.518 421 HG13 ILE 60 HG13 ILE 60 5.339 18.830 3.124 422 HG21 ILE 60 HG21 ILE 60 5.822 16.701 0.264 423 HG22 ILE 60 HG22 ILE 60 4.244 17.296 -0.251 424 HG23 ILE 60 HG23 ILE 60 5.712 17.935 -0.991 425 HD11 ILE 60 HD11 ILE 60 3.515 17.652 3.508 426 HD12 ILE 60 HD12 ILE 60 3.388 17.281 1.788 427 HD13 ILE 60 HD13 ILE 60 4.296 16.211 2.856 428 H LYS 61 H LYS 61 5.654 21.726 0.100 429 HA LYS 61 HA LYS 61 6.729 23.506 1.913 430 HB2 LYS 61 HB2 LYS 61 4.854 23.613 -0.156 431 HB3 LYS 61 HB3 LYS 61 3.997 24.224 1.254 432 HG2 LYS 61 HG2 LYS 61 6.609 25.261 0.171 433 HG3 LYS 61 HG3 LYS 61 5.030 26.036 0.026 434 HD2 LYS 61 HD2 LYS 61 6.434 25.440 2.631 435 HD3 LYS 61 HD3 LYS 61 6.426 27.010 1.823 436 HE2 LYS 61 HE2 LYS 61 4.010 25.519 2.843 437 HE3 LYS 61 HE3 LYS 61 4.757 26.926 3.599 438 HZ1 LYS 61 HZ1 LYS 61 3.380 26.825 0.973 439 HZ2 LYS 61 HZ2 LYS 61 2.884 27.661 2.359 440 HZ3 LYS 61 HZ3 LYS 61 4.264 28.161 1.516 441 H VAL 62 H VAL 62 6.435 23.928 4.006 442 HA VAL 62 HA VAL 62 3.987 22.946 5.313 443 HB VAL 62 HB VAL 62 5.482 22.536 7.356 444 HG11 VAL 62 HG11 VAL 62 4.458 20.865 5.575 445 HG12 VAL 62 HG12 VAL 62 6.164 20.572 5.234 446 HG13 VAL 62 HG13 VAL 62 5.532 20.310 6.860 447 HG21 VAL 62 HG21 VAL 62 7.771 22.282 7.107 448 HG22 VAL 62 HG22 VAL 62 7.666 22.118 5.355 449 HG23 VAL 62 HG23 VAL 62 7.440 23.697 6.108 450 HA PRO 63 HA PRO 63 3.636 26.916 7.150 451 HB2 PRO 63 HB2 PRO 63 2.548 26.303 9.561 452 HB3 PRO 63 HB3 PRO 63 1.645 26.201 8.046 453 HG2 PRO 63 HG2 PRO 63 2.978 24.023 9.607 454 HG3 PRO 63 HG3 PRO 63 1.390 24.022 8.818 455 HD2 PRO 63 HD2 PRO 63 3.568 22.857 7.710 456 HD3 PRO 63 HD3 PRO 63 2.286 23.603 6.736 457 H GLY 64 H GLY 64 5.308 28.099 7.830 458 HA2 GLY 64 HA2 GLY 64 6.365 27.906 10.438 459 HA3 GLY 64 HA3 GLY 64 7.481 27.149 9.311 460 H LYS 65 H LYS 65 8.989 28.418 8.475 461 HA LYS 65 HA LYS 65 8.406 31.182 7.820 462 HB2 LYS 65 HB2 LYS 65 10.278 30.367 10.015 463 HB3 LYS 65 HB3 LYS 65 10.613 31.813 9.073 464 HG2 LYS 65 HG2 LYS 65 8.373 32.675 9.683 465 HG3 LYS 65 HG3 LYS 65 8.154 31.264 10.721 466 HD2 LYS 65 HD2 LYS 65 10.601 32.928 11.068 467 HD3 LYS 65 HD3 LYS 65 9.065 33.544 11.684 468 HE2 LYS 65 HE2 LYS 65 10.048 30.778 12.323 469 HE3 LYS 65 HE3 LYS 65 10.517 32.180 13.283 470 HZ1 LYS 65 HZ1 LYS 65 8.000 30.771 13.189 471 HZ2 LYS 65 HZ2 LYS 65 8.667 31.714 14.424 472 HZ3 LYS 65 HZ3 LYS 65 7.847 32.456 13.144 473 H CYS 66 H CYS 66 9.133 31.370 5.814 474 HA CYS 66 HA CYS 66 11.331 29.715 4.879 475 HB2 CYS 66 HB2 CYS 66 9.423 29.890 3.417 476 HB3 CYS 66 HB3 CYS 66 9.491 31.649 3.459 477 H HIS 67 H HIS 67 13.357 30.386 4.525 478 HA HIS 67 HA HIS 67 14.144 32.995 5.433 479 HB2 HIS 67 HB2 HIS 67 15.599 30.583 4.400 480 HB3 HIS 67 HB3 HIS 67 16.443 32.120 4.552 481 HD1 HIS 67 HD1 HIS 67 17.687 32.252 6.670 482 HD2 HIS 67 HD2 HIS 67 14.184 30.057 7.087 483 HE1 HIS 67 HE1 HIS 67 17.631 31.525 9.077 Start of MODEL 7 1 H1 GLY 1 H GLY 1 3.887 -0.520 -1.577 2 HA2 GLY 1 HA2 GLY 1 1.117 -0.647 -2.490 3 HA3 GLY 1 HA3 GLY 1 1.377 -0.130 -0.831 4 H GLU 2 H GLU 2 1.771 0.696 -4.197 5 HA GLU 2 HA GLU 2 3.226 3.054 -3.990 6 HB2 GLU 2 HB2 GLU 2 2.419 3.612 -6.146 7 HB3 GLU 2 HB3 GLU 2 2.505 1.857 -6.104 8 HG2 GLU 2 HG2 GLU 2 0.004 3.479 -5.688 9 HG3 GLU 2 HG3 GLU 2 0.469 2.688 -7.193 10 H GLU 3 H GLU 3 2.779 5.108 -3.410 11 HA GLU 3 HA GLU 3 0.058 6.022 -3.080 12 HB2 GLU 3 HB2 GLU 3 0.476 6.701 -0.686 13 HB3 GLU 3 HB3 GLU 3 0.260 4.977 -0.956 14 HG2 GLU 3 HG2 GLU 3 2.696 4.680 -0.897 15 HG3 GLU 3 HG3 GLU 3 2.883 6.402 -0.569 16 H VAL 4 H VAL 4 0.009 8.033 -3.811 17 HA VAL 4 HA VAL 4 2.144 9.894 -3.131 18 HB VAL 4 HB VAL 4 2.237 10.682 -5.539 19 HG11 VAL 4 HG11 VAL 4 3.350 7.951 -5.557 20 HG12 VAL 4 HG12 VAL 4 4.141 9.503 -5.829 21 HG13 VAL 4 HG13 VAL 4 3.805 8.963 -4.186 22 HG21 VAL 4 HG21 VAL 4 1.714 8.953 -7.246 23 HG22 VAL 4 HG22 VAL 4 0.941 7.995 -5.984 24 HG23 VAL 4 HG23 VAL 4 0.288 9.576 -6.415 25 H ARG 5 H ARG 5 1.563 12.101 -3.395 26 HA ARG 5 HA ARG 5 -1.250 12.625 -4.037 27 HB2 ARG 5 HB2 ARG 5 -1.704 13.745 -2.043 28 HB3 ARG 5 HB3 ARG 5 -0.775 12.350 -1.510 29 HG2 ARG 5 HG2 ARG 5 0.309 15.130 -1.919 30 HG3 ARG 5 HG3 ARG 5 -0.085 14.389 -0.366 31 HD2 ARG 5 HD2 ARG 5 1.550 12.511 -1.283 32 HD3 ARG 5 HD3 ARG 5 2.189 13.871 -2.204 33 HE ARG 5 HE ARG 5 3.164 14.617 -0.288 34 HH11 ARG 5 HH11 ARG 5 0.498 12.547 0.568 35 HH12 ARG 5 HH12 ARG 5 0.817 12.621 2.268 36 HH21 ARG 5 HH21 ARG 5 3.593 14.722 1.950 37 HH22 ARG 5 HH22 ARG 5 2.576 13.859 3.054 38 H ASP 6 H ASP 6 -1.708 14.823 -4.588 39 HA ASP 6 HA ASP 6 0.568 16.132 -5.840 40 HB2 ASP 6 HB2 ASP 6 -2.245 17.164 -5.982 41 HB3 ASP 6 HB3 ASP 6 -0.962 17.263 -7.185 42 H ALA 7 H ALA 7 1.703 17.538 -4.686 43 HA ALA 7 HA ALA 7 0.294 19.598 -3.173 44 HB1 ALA 7 HB1 ALA 7 1.743 17.422 -1.953 45 HB2 ALA 7 HB2 ALA 7 2.458 18.978 -1.531 46 HB3 ALA 7 HB3 ALA 7 0.751 18.674 -1.204 47 H TYR 8 H TYR 8 1.835 21.335 -2.441 48 HA TYR 8 HA TYR 8 3.502 22.074 -4.661 49 HB2 TYR 8 HB2 TYR 8 2.449 23.392 -2.230 50 HB3 TYR 8 HB3 TYR 8 3.982 24.010 -2.834 51 HD1 TYR 8 HD1 TYR 8 0.441 24.098 -3.185 52 HD2 TYR 8 HD2 TYR 8 4.075 24.676 -5.322 53 HE1 TYR 8 HE1 TYR 8 -0.765 25.429 -4.865 54 HE2 TYR 8 HE2 TYR 8 2.878 26.009 -7.008 55 HH TYR 8 HH TYR 8 -0.407 27.020 -6.558 56 H ILE 9 H ILE 9 5.445 21.167 -4.861 57 HA ILE 9 HA ILE 9 6.957 20.078 -2.748 58 HB ILE 9 HB ILE 9 7.176 19.496 -5.193 59 HG12 ILE 9 HG12 ILE 9 9.708 20.194 -3.690 60 HG13 ILE 9 HG13 ILE 9 8.779 18.710 -3.511 61 HG21 ILE 9 HG21 ILE 9 7.672 22.199 -5.473 62 HG22 ILE 9 HG22 ILE 9 9.258 21.457 -5.680 63 HG23 ILE 9 HG23 ILE 9 7.911 20.960 -6.704 64 HD11 ILE 9 HD11 ILE 9 9.914 17.779 -5.157 65 HD12 ILE 9 HD12 ILE 9 9.433 19.068 -6.259 66 HD13 ILE 9 HD13 ILE 9 10.892 19.241 -5.285 67 H ALA 10 H ALA 10 8.869 20.798 -1.763 68 HA ALA 10 HA ALA 10 9.685 23.564 -2.168 69 HB1 ALA 10 HB1 ALA 10 8.194 24.106 -0.511 70 HB2 ALA 10 HB2 ALA 10 8.360 22.549 0.300 71 HB3 ALA 10 HB3 ALA 10 9.634 23.760 0.447 72 H GLN 11 H GLN 11 11.821 23.873 -1.833 73 HA GLN 11 HA GLN 11 13.604 21.776 -1.747 74 HB2 GLN 11 HB2 GLN 11 15.272 23.556 -0.946 75 HB3 GLN 11 HB3 GLN 11 14.462 23.828 -2.483 76 HG2 GLN 11 HG2 GLN 11 12.966 25.403 -1.495 77 HG3 GLN 11 HG3 GLN 11 13.554 25.021 0.122 78 HE21 GLN 11 HE21 GLN 11 14.083 26.807 -2.760 79 HE22 GLN 11 HE22 GLN 11 15.471 27.686 -2.225 80 HA PRO 12 HA PRO 12 13.956 20.394 2.401 81 HB2 PRO 12 HB2 PRO 12 16.612 19.867 2.592 82 HB3 PRO 12 HB3 PRO 12 15.500 18.867 1.650 83 HG2 PRO 12 HG2 PRO 12 17.367 21.015 0.721 84 HG3 PRO 12 HG3 PRO 12 17.037 19.430 -0.002 85 HD2 PRO 12 HD2 PRO 12 15.930 21.717 -0.939 86 HD3 PRO 12 HD3 PRO 12 15.094 20.151 -1.007 87 H HIS 13 H HIS 13 15.460 23.259 1.383 88 HA HIS 13 HA HIS 13 16.492 23.909 4.038 89 HB2 HIS 13 HB2 HIS 13 17.458 24.486 1.551 90 HB3 HIS 13 HB3 HIS 13 16.599 25.975 1.938 91 HD1 HIS 13 HD1 HIS 13 18.514 27.502 2.450 92 HD2 HIS 13 HD2 HIS 13 18.761 23.903 4.510 93 HE1 HIS 13 HE1 HIS 13 20.427 27.779 4.059 94 H ASN 14 H ASN 14 13.646 23.614 3.644 95 HA ASN 14 HA ASN 14 11.664 24.667 4.053 96 HB2 ASN 14 HB2 ASN 14 13.021 25.043 6.181 97 HB3 ASN 14 HB3 ASN 14 13.311 26.677 5.588 98 HD21 ASN 14 HD21 ASN 14 10.463 24.563 5.581 99 HD22 ASN 14 HD22 ASN 14 9.419 25.682 6.382 100 H CYS 15 H CYS 15 11.678 25.273 1.729 101 HA CYS 15 HA CYS 15 10.917 27.974 1.405 102 HB2 CYS 15 HB2 CYS 15 13.704 27.485 1.112 103 HB3 CYS 15 HB3 CYS 15 13.049 27.802 -0.492 104 H VAL 16 H VAL 16 10.370 28.476 -0.888 105 HA VAL 16 HA VAL 16 9.251 26.101 -2.137 106 HB VAL 16 HB VAL 16 8.110 27.722 -3.645 107 HG11 VAL 16 HG11 VAL 16 6.562 28.557 -1.980 108 HG12 VAL 16 HG12 VAL 16 7.076 26.924 -1.555 109 HG13 VAL 16 HG13 VAL 16 7.759 28.312 -0.708 110 HG21 VAL 16 HG21 VAL 16 10.059 29.501 -2.544 111 HG22 VAL 16 HG22 VAL 16 8.911 29.782 -3.853 112 HG23 VAL 16 HG23 VAL 16 8.443 30.109 -2.184 113 H TYR 17 H TYR 17 10.073 25.125 -3.868 114 HA TYR 17 HA TYR 17 12.572 25.685 -4.924 115 HB2 TYR 17 HB2 TYR 17 10.279 23.987 -5.741 116 HB3 TYR 17 HB3 TYR 17 11.485 24.330 -6.976 117 HD1 TYR 17 HD1 TYR 17 13.969 23.901 -6.284 118 HD2 TYR 17 HD2 TYR 17 10.612 22.209 -4.290 119 HE1 TYR 17 HE1 TYR 17 15.411 22.129 -5.373 120 HE2 TYR 17 HE2 TYR 17 12.045 20.433 -3.373 121 HH TYR 17 HH TYR 17 15.240 20.561 -3.183 122 H HIS 18 H HIS 18 13.064 27.620 -5.766 123 HA HIS 18 HA HIS 18 11.238 29.159 -7.336 124 HB2 HIS 18 HB2 HIS 18 12.925 30.266 -5.972 125 HB3 HIS 18 HB3 HIS 18 14.212 29.476 -6.879 126 HD1 HIS 18 HD1 HIS 18 11.866 32.344 -6.988 127 HD2 HIS 18 HD2 HIS 18 14.636 30.516 -9.488 128 HE1 HIS 18 HE1 HIS 18 12.260 33.974 -8.862 129 H CYS 19 H CYS 19 10.666 28.524 -9.310 130 HA CYS 19 HA CYS 19 12.706 27.331 -11.061 131 HB2 CYS 19 HB2 CYS 19 10.820 26.442 -12.371 132 HB3 CYS 19 HB3 CYS 19 10.745 25.920 -10.691 133 H PHE 20 H PHE 20 13.246 28.256 -12.965 134 HA PHE 20 HA PHE 20 12.573 30.996 -13.381 135 HB2 PHE 20 HB2 PHE 20 14.144 29.010 -15.025 136 HB3 PHE 20 HB3 PHE 20 13.928 30.691 -15.501 137 HD1 PHE 20 HD1 PHE 20 14.447 32.376 -13.434 138 HD2 PHE 20 HD2 PHE 20 16.132 28.511 -14.021 139 HE1 PHE 20 HE1 PHE 20 16.381 33.014 -12.055 140 HE2 PHE 20 HE2 PHE 20 18.069 29.142 -12.642 141 HZ PHE 20 HZ PHE 20 18.196 31.397 -11.658 142 H ARG 21 H ARG 21 11.631 27.955 -14.889 143 HA ARG 21 HA ARG 21 9.297 29.236 -16.026 144 HB2 ARG 21 HB2 ARG 21 9.749 28.308 -18.303 145 HB3 ARG 21 HB3 ARG 21 10.838 29.605 -17.828 146 HG2 ARG 21 HG2 ARG 21 12.479 27.814 -17.146 147 HG3 ARG 21 HG3 ARG 21 11.414 26.660 -17.952 148 HD2 ARG 21 HD2 ARG 21 11.612 28.379 -19.937 149 HD3 ARG 21 HD3 ARG 21 13.105 28.822 -19.109 150 HE ARG 21 HE ARG 21 13.302 26.144 -19.270 151 HH11 ARG 21 HH11 ARG 21 12.565 28.596 -21.629 152 HH12 ARG 21 HH12 ARG 21 13.248 27.713 -22.954 153 HH21 ARG 21 HH21 ARG 21 14.205 24.970 -21.006 154 HH22 ARG 21 HH22 ARG 21 14.180 25.650 -22.598 155 H ASP 22 H ASP 22 7.856 27.593 -17.099 156 HA ASP 22 HA ASP 22 7.241 25.523 -15.378 157 HB2 ASP 22 HB2 ASP 22 5.815 26.541 -17.249 158 HB3 ASP 22 HB3 ASP 22 6.628 25.408 -18.327 159 H SER 23 H SER 23 9.093 25.374 -18.404 160 HA SER 23 HA SER 23 9.505 22.654 -18.579 161 HB2 SER 23 HB2 SER 23 10.220 24.346 -20.274 162 HB3 SER 23 HB3 SER 23 11.568 24.775 -19.220 163 HG SER 23 HG SER 23 12.492 22.843 -19.586 164 H TYR 24 H TYR 24 11.067 24.989 -16.488 165 HA TYR 24 HA TYR 24 13.199 23.344 -15.621 166 HB2 TYR 24 HB2 TYR 24 13.048 25.844 -15.347 167 HB3 TYR 24 HB3 TYR 24 11.887 25.570 -14.052 168 HD1 TYR 24 HD1 TYR 24 12.619 24.392 -11.977 169 HD2 TYR 24 HD2 TYR 24 15.381 25.598 -14.979 170 HE1 TYR 24 HE1 TYR 24 14.462 24.158 -10.366 171 HE2 TYR 24 HE2 TYR 24 17.233 25.366 -13.377 172 HH TYR 24 HH TYR 24 17.753 25.113 -11.189 173 H CYS 25 H CYS 25 10.173 24.231 -13.947 174 HA CYS 25 HA CYS 25 10.472 22.430 -11.820 175 HB2 CYS 25 HB2 CYS 25 8.908 24.251 -11.647 176 HB3 CYS 25 HB3 CYS 25 7.992 23.663 -13.029 177 H ASN 26 H ASN 26 9.055 22.052 -15.014 178 HA ASN 26 HA ASN 26 7.689 19.660 -14.678 179 HB2 ASN 26 HB2 ASN 26 7.547 20.996 -16.725 180 HB3 ASN 26 HB3 ASN 26 9.222 20.609 -17.108 181 HD21 ASN 26 HD21 ASN 26 9.745 18.372 -17.520 182 HD22 ASN 26 HD22 ASN 26 8.547 17.333 -18.209 183 H ASP 27 H ASP 27 11.018 20.055 -15.899 184 HA ASP 27 HA ASP 27 11.590 17.267 -15.736 185 HB2 ASP 27 HB2 ASP 27 12.735 19.359 -17.047 186 HB3 ASP 27 HB3 ASP 27 13.871 19.138 -15.719 187 H LEU 28 H LEU 28 12.117 20.028 -13.632 188 HA LEU 28 HA LEU 28 13.927 18.896 -11.833 189 HB2 LEU 28 HB2 LEU 28 13.627 21.173 -11.582 190 HB3 LEU 28 HB3 LEU 28 11.869 21.051 -11.646 191 HG LEU 28 HG LEU 28 11.837 20.155 -9.378 192 HD11 LEU 28 HD11 LEU 28 14.568 19.635 -9.892 193 HD12 LEU 28 HD12 LEU 28 14.488 20.763 -8.539 194 HD13 LEU 28 HD13 LEU 28 13.625 19.227 -8.458 195 HD21 LEU 28 HD21 LEU 28 11.953 22.192 -8.410 196 HD22 LEU 28 HD22 LEU 28 13.576 22.513 -9.024 197 HD23 LEU 28 HD23 LEU 28 12.176 22.727 -10.076 198 H CYS 29 H CYS 29 10.440 18.601 -12.081 199 HA CYS 29 HA CYS 29 10.058 17.333 -9.560 200 HB2 CYS 29 HB2 CYS 29 8.402 17.714 -12.023 201 HB3 CYS 29 HB3 CYS 29 7.880 16.545 -10.814 202 H ILE 30 H ILE 30 10.712 16.193 -12.818 203 HA ILE 30 HA ILE 30 10.163 13.473 -12.452 204 HB ILE 30 HB ILE 30 12.291 14.673 -14.228 205 HG12 ILE 30 HG12 ILE 30 9.431 13.986 -14.925 206 HG13 ILE 30 HG13 ILE 30 9.973 15.612 -14.524 207 HG21 ILE 30 HG21 ILE 30 10.858 12.023 -14.339 208 HG22 ILE 30 HG22 ILE 30 11.948 12.641 -15.581 209 HG23 ILE 30 HG23 ILE 30 12.562 12.284 -13.966 210 HD11 ILE 30 HD11 ILE 30 11.700 15.161 -16.443 211 HD12 ILE 30 HD12 ILE 30 10.492 13.980 -16.949 212 HD13 ILE 30 HD13 ILE 30 10.054 15.682 -16.800 213 H LYS 31 H LYS 31 13.118 15.335 -11.875 214 HA LYS 31 HA LYS 31 14.822 13.203 -11.262 215 HB2 LYS 31 HB2 LYS 31 15.519 15.574 -11.649 216 HB3 LYS 31 HB3 LYS 31 14.892 15.973 -10.054 217 HG2 LYS 31 HG2 LYS 31 16.677 15.126 -9.004 218 HG3 LYS 31 HG3 LYS 31 16.781 13.736 -10.086 219 HD2 LYS 31 HD2 LYS 31 18.693 14.821 -10.698 220 HD3 LYS 31 HD3 LYS 31 17.560 15.605 -11.800 221 HE2 LYS 31 HE2 LYS 31 18.794 17.361 -10.850 222 HE3 LYS 31 HE3 LYS 31 17.260 17.363 -9.981 223 HZ1 LYS 31 HZ1 LYS 31 18.254 16.818 -8.067 224 HZ2 LYS 31 HZ2 LYS 31 19.318 15.719 -8.792 225 HZ3 LYS 31 HZ3 LYS 31 19.670 17.374 -8.807 226 H HIS 32 H HIS 32 12.492 14.946 -9.291 227 HA HIS 32 HA HIS 32 13.299 13.756 -6.818 228 HB2 HIS 32 HB2 HIS 32 10.878 15.329 -7.677 229 HB3 HIS 32 HB3 HIS 32 11.008 14.640 -6.062 230 HD1 HIS 32 HD1 HIS 32 11.657 16.415 -4.483 231 HD2 HIS 32 HD2 HIS 32 13.587 16.834 -8.139 232 HE1 HIS 32 HE1 HIS 32 13.165 18.411 -4.222 233 H GLY 33 H GLY 33 11.071 12.925 -9.370 234 HA2 GLY 33 HA2 GLY 33 10.635 10.494 -9.559 235 HA3 GLY 33 HA3 GLY 33 10.309 10.518 -7.832 236 H ALA 34 H ALA 34 9.240 13.007 -10.062 237 HA ALA 34 HA ALA 34 6.463 12.189 -9.520 238 HB1 ALA 34 HB1 ALA 34 6.791 14.879 -10.566 239 HB2 ALA 34 HB2 ALA 34 5.943 14.321 -9.125 240 HB3 ALA 34 HB3 ALA 34 7.680 14.623 -9.065 241 H GLU 35 H GLU 35 4.889 12.796 -11.264 242 HA GLU 35 HA GLU 35 5.743 11.644 -13.734 243 HB2 GLU 35 HB2 GLU 35 3.296 12.062 -12.434 244 HB3 GLU 35 HB3 GLU 35 3.198 13.008 -13.912 245 HG2 GLU 35 HG2 GLU 35 4.071 10.141 -13.929 246 HG3 GLU 35 HG3 GLU 35 2.370 10.602 -13.983 247 H SER 36 H SER 36 4.861 14.905 -12.682 248 HA SER 36 HA SER 36 6.479 16.081 -14.735 249 HB2 SER 36 HB2 SER 36 4.590 17.408 -15.737 250 HB3 SER 36 HB3 SER 36 4.549 15.686 -16.116 251 HG SER 36 HG SER 36 2.504 16.278 -15.493 252 H GLY 37 H GLY 37 5.822 18.625 -14.747 253 HA2 GLY 37 HA2 GLY 37 5.018 19.593 -12.150 254 HA3 GLY 37 HA3 GLY 37 6.741 19.748 -12.455 255 H GLU 38 H GLU 38 4.547 21.762 -12.117 256 HA GLU 38 HA GLU 38 5.262 23.378 -14.444 257 HB2 GLU 38 HB2 GLU 38 3.037 24.017 -14.953 258 HB3 GLU 38 HB3 GLU 38 3.024 22.263 -14.834 259 HG2 GLU 38 HG2 GLU 38 2.186 22.501 -12.498 260 HG3 GLU 38 HG3 GLU 38 2.039 24.233 -12.789 261 H CYS 39 H CYS 39 5.000 25.658 -14.113 262 HA CYS 39 HA CYS 39 5.449 26.408 -11.352 263 HB2 CYS 39 HB2 CYS 39 5.628 27.896 -13.968 264 HB3 CYS 39 HB3 CYS 39 5.805 28.709 -12.416 265 H LYS 40 H LYS 40 4.246 27.926 -10.192 266 HA LYS 40 HA LYS 40 1.747 28.899 -11.314 267 HB2 LYS 40 HB2 LYS 40 1.939 26.761 -9.266 268 HB3 LYS 40 HB3 LYS 40 0.735 28.011 -8.988 269 HG2 LYS 40 HG2 LYS 40 -0.590 27.292 -10.655 270 HG3 LYS 40 HG3 LYS 40 0.770 26.884 -11.703 271 HD2 LYS 40 HD2 LYS 40 0.140 24.765 -11.254 272 HD3 LYS 40 HD3 LYS 40 1.065 25.018 -9.773 273 HE2 LYS 40 HE2 LYS 40 -0.798 25.166 -8.475 274 HE3 LYS 40 HE3 LYS 40 -1.770 25.878 -9.761 275 HZ1 LYS 40 HZ1 LYS 40 -1.747 23.632 -10.828 276 HZ2 LYS 40 HZ2 LYS 40 -1.060 23.022 -9.407 277 HZ3 LYS 40 HZ3 LYS 40 -2.602 23.716 -9.370 278 H TRP 41 H TRP 41 1.594 30.963 -10.768 279 HA TRP 41 HA TRP 41 3.179 32.041 -8.611 280 HB2 TRP 41 HB2 TRP 41 2.679 33.126 -10.915 281 HB3 TRP 41 HB3 TRP 41 1.150 33.605 -10.184 282 HD1 TRP 41 HD1 TRP 41 4.816 33.772 -8.882 283 HE1 TRP 41 HE1 TRP 41 5.220 36.153 -7.990 284 HE3 TRP 41 HE3 TRP 41 0.246 35.816 -9.919 285 HZ2 TRP 41 HZ2 TRP 41 3.791 38.576 -7.757 286 HZ3 TRP 41 HZ3 TRP 41 -0.154 38.171 -9.329 287 HH2 TRP 41 HH2 TRP 41 1.583 39.520 -8.270 288 H PHE 42 H PHE 42 2.245 31.114 -6.761 289 HA PHE 42 HA PHE 42 -0.551 31.651 -6.184 290 HB2 PHE 42 HB2 PHE 42 0.358 29.474 -5.559 291 HB3 PHE 42 HB3 PHE 42 1.582 30.251 -4.559 292 HD1 PHE 42 HD1 PHE 42 -2.060 30.945 -4.868 293 HD2 PHE 42 HD2 PHE 42 1.129 29.606 -2.387 294 HE1 PHE 42 HE1 PHE 42 -3.592 30.869 -2.944 295 HE2 PHE 42 HE2 PHE 42 -0.398 29.528 -0.460 296 HZ PHE 42 HZ PHE 42 -2.763 30.159 -0.737 297 H THR 43 H THR 43 2.634 32.723 -5.171 298 HA THR 43 HA THR 43 1.348 34.876 -3.629 299 HB THR 43 HB THR 43 2.366 33.218 -2.095 300 HG1 THR 43 HG1 THR 43 2.535 35.049 -1.033 301 HG21 THR 43 HG21 THR 43 5.106 33.829 -2.379 302 HG22 THR 43 HG22 THR 43 4.314 32.271 -2.615 303 HG23 THR 43 HG23 THR 43 4.519 33.371 -3.977 304 H SER 44 H SER 44 3.012 36.684 -3.185 305 HA SER 44 HA SER 44 4.121 37.441 -5.760 306 HB2 SER 44 HB2 SER 44 2.716 38.976 -4.269 307 HB3 SER 44 HB3 SER 44 4.146 39.110 -3.246 308 HG SER 44 HG SER 44 3.645 40.587 -5.271 309 H SER 45 H SER 45 5.374 35.373 -3.992 310 HA SER 45 HA SER 45 7.966 36.665 -3.480 311 HB2 SER 45 HB2 SER 45 6.681 35.282 -1.682 312 HB3 SER 45 HB3 SER 45 7.273 33.883 -2.579 313 HG SER 45 HG SER 45 8.622 34.737 -0.785 314 H GLY 46 H GLY 46 6.682 35.508 -6.051 315 HA2 GLY 46 HA2 GLY 46 8.113 34.964 -7.928 316 HA3 GLY 46 HA3 GLY 46 9.082 33.984 -6.838 317 H ASN 47 H ASN 47 7.996 33.120 -9.324 318 HA ASN 47 HA ASN 47 5.628 31.607 -8.959 319 HB2 ASN 47 HB2 ASN 47 7.831 31.077 -10.960 320 HB3 ASN 47 HB3 ASN 47 6.142 30.595 -11.084 321 HD21 ASN 47 HD21 ASN 47 4.598 32.108 -11.644 322 HD22 ASN 47 HD22 ASN 47 5.009 33.655 -12.295 323 H ALA 48 H ALA 48 5.335 29.786 -7.870 324 HA ALA 48 HA ALA 48 7.629 28.330 -6.845 325 HB1 ALA 48 HB1 ALA 48 6.264 27.552 -5.212 326 HB2 ALA 48 HB2 ALA 48 5.314 28.963 -5.674 327 HB3 ALA 48 HB3 ALA 48 4.885 27.370 -6.296 328 H CYS 49 H CYS 49 7.624 25.933 -6.904 329 HA CYS 49 HA CYS 49 6.884 25.014 -9.591 330 HB2 CYS 49 HB2 CYS 49 9.229 24.774 -9.148 331 HB3 CYS 49 HB3 CYS 49 8.914 23.999 -7.597 332 H TRP 50 H TRP 50 5.183 23.736 -9.810 333 HA TRP 50 HA TRP 50 4.119 22.362 -7.453 334 HB2 TRP 50 HB2 TRP 50 2.452 23.659 -8.527 335 HB3 TRP 50 HB3 TRP 50 2.928 23.089 -10.125 336 HD1 TRP 50 HD1 TRP 50 2.147 20.591 -10.815 337 HE1 TRP 50 HE1 TRP 50 0.186 19.147 -9.980 338 HE3 TRP 50 HE3 TRP 50 1.063 23.107 -6.498 339 HZ2 TRP 50 HZ2 TRP 50 -1.585 19.083 -7.783 340 HZ3 TRP 50 HZ3 TRP 50 -0.779 22.289 -5.087 341 HH2 TRP 50 HH2 TRP 50 -2.075 20.319 -5.718 342 H CYS 51 H CYS 51 3.909 20.178 -7.313 343 HA CYS 51 HA CYS 51 4.938 18.592 -9.574 344 HB2 CYS 51 HB2 CYS 51 5.481 18.347 -6.627 345 HB3 CYS 51 HB3 CYS 51 5.657 16.960 -7.696 346 H VAL 52 H VAL 52 3.777 16.853 -10.197 347 HA VAL 52 HA VAL 52 1.197 16.445 -8.883 348 HB VAL 52 HB VAL 52 1.112 16.813 -11.279 349 HG11 VAL 52 HG11 VAL 52 3.142 14.629 -11.319 350 HG12 VAL 52 HG12 VAL 52 2.054 14.819 -12.694 351 HG13 VAL 52 HG13 VAL 52 3.105 16.151 -12.211 352 HG21 VAL 52 HG21 VAL 52 -0.242 14.915 -9.954 353 HG22 VAL 52 HG22 VAL 52 -0.499 15.266 -11.663 354 HG23 VAL 52 HG23 VAL 52 0.531 13.916 -11.185 355 H LYS 53 H LYS 53 0.463 14.428 -8.206 356 HA LYS 53 HA LYS 53 0.783 12.528 -6.950 357 HB2 LYS 53 HB2 LYS 53 1.442 10.622 -8.315 358 HB3 LYS 53 HB3 LYS 53 0.390 11.693 -9.230 359 HG2 LYS 53 HG2 LYS 53 2.123 12.443 -10.585 360 HG3 LYS 53 HG3 LYS 53 3.366 11.907 -9.453 361 HD2 LYS 53 HD2 LYS 53 1.825 9.643 -10.214 362 HD3 LYS 53 HD3 LYS 53 2.279 10.516 -11.679 363 HE2 LYS 53 HE2 LYS 53 4.630 10.589 -10.458 364 HE3 LYS 53 HE3 LYS 53 3.987 9.154 -9.662 365 HZ1 LYS 53 HZ1 LYS 53 4.547 7.997 -11.446 366 HZ2 LYS 53 HZ2 LYS 53 3.454 8.893 -12.377 367 HZ3 LYS 53 HZ3 LYS 53 5.066 9.392 -12.251 368 H LEU 54 H LEU 54 2.722 14.376 -6.261 369 HA LEU 54 HA LEU 54 5.352 13.281 -6.391 370 HB2 LEU 54 HB2 LEU 54 4.518 15.724 -5.940 371 HB3 LEU 54 HB3 LEU 54 4.510 15.193 -4.260 372 HG LEU 54 HG LEU 54 6.909 14.670 -4.433 373 HD11 LEU 54 HD11 LEU 54 7.582 16.141 -6.759 374 HD12 LEU 54 HD12 LEU 54 7.888 14.440 -6.406 375 HD13 LEU 54 HD13 LEU 54 6.395 14.919 -7.215 376 HD21 LEU 54 HD21 LEU 54 7.496 17.225 -5.071 377 HD22 LEU 54 HD22 LEU 54 5.763 17.361 -4.780 378 HD23 LEU 54 HD23 LEU 54 6.822 16.728 -3.520 379 HA PRO 55 HA PRO 55 4.972 10.264 -3.183 380 HB2 PRO 55 HB2 PRO 55 7.623 9.802 -2.819 381 HB3 PRO 55 HB3 PRO 55 6.723 9.188 -4.211 382 HG2 PRO 55 HG2 PRO 55 8.492 11.596 -4.009 383 HG3 PRO 55 HG3 PRO 55 8.392 10.386 -5.302 384 HD2 PRO 55 HD2 PRO 55 7.207 12.814 -5.484 385 HD3 PRO 55 HD3 PRO 55 6.526 11.360 -6.241 386 H LYS 56 H LYS 56 5.098 10.157 -0.969 387 HA LYS 56 HA LYS 56 5.345 12.534 0.490 388 HB2 LYS 56 HB2 LYS 56 5.288 9.637 1.306 389 HB3 LYS 56 HB3 LYS 56 5.438 10.925 2.495 390 HG2 LYS 56 HG2 LYS 56 3.294 11.627 2.213 391 HG3 LYS 56 HG3 LYS 56 3.233 11.123 0.522 392 HD2 LYS 56 HD2 LYS 56 1.838 9.586 1.547 393 HD3 LYS 56 HD3 LYS 56 3.377 8.722 1.500 394 HE2 LYS 56 HE2 LYS 56 2.487 8.407 3.675 395 HE3 LYS 56 HE3 LYS 56 3.798 9.576 3.831 396 HZ1 LYS 56 HZ1 LYS 56 0.951 10.360 3.574 397 HZ2 LYS 56 HZ2 LYS 56 1.717 10.134 5.066 398 HZ3 LYS 56 HZ3 LYS 56 2.257 11.342 4.012 399 H SER 57 H SER 57 7.678 10.069 -0.317 400 HA SER 57 HA SER 57 9.651 10.494 1.566 401 HB2 SER 57 HB2 SER 57 9.768 9.726 -1.340 402 HB3 SER 57 HB3 SER 57 11.246 9.912 -0.396 403 HG SER 57 HG SER 57 10.695 8.220 0.838 404 H GLU 58 H GLU 58 8.854 12.403 -1.276 405 HA GLU 58 HA GLU 58 11.147 14.118 -1.035 406 HB2 GLU 58 HB2 GLU 58 8.612 14.365 -2.660 407 HB3 GLU 58 HB3 GLU 58 9.959 15.490 -2.760 408 HG2 GLU 58 HG2 GLU 58 10.122 12.546 -3.361 409 HG3 GLU 58 HG3 GLU 58 9.955 13.822 -4.566 410 HA PRO 59 HA PRO 59 9.659 17.075 1.845 411 HB2 PRO 59 HB2 PRO 59 10.762 19.361 0.879 412 HB3 PRO 59 HB3 PRO 59 11.709 18.099 1.674 413 HG2 PRO 59 HG2 PRO 59 11.344 18.636 -1.248 414 HG3 PRO 59 HG3 PRO 59 12.823 18.220 -0.364 415 HD2 PRO 59 HD2 PRO 59 11.420 16.398 -1.794 416 HD3 PRO 59 HD3 PRO 59 12.316 15.972 -0.322 417 H ILE 60 H ILE 60 8.309 18.970 2.109 418 HA ILE 60 HA ILE 60 6.891 19.941 -0.237 419 HB ILE 60 HB ILE 60 4.668 19.514 0.860 420 HG12 ILE 60 HG12 ILE 60 6.296 17.580 2.524 421 HG13 ILE 60 HG13 ILE 60 5.543 19.053 3.126 422 HG21 ILE 60 HG21 ILE 60 4.434 17.349 -0.074 423 HG22 ILE 60 HG22 ILE 60 5.665 18.175 -1.029 424 HG23 ILE 60 HG23 ILE 60 6.140 16.980 0.178 425 HD11 ILE 60 HD11 ILE 60 3.680 17.940 3.521 426 HD12 ILE 60 HD12 ILE 60 3.554 17.513 1.815 427 HD13 ILE 60 HD13 ILE 60 4.438 16.464 2.924 428 H LYS 61 H LYS 61 5.757 21.883 0.112 429 HA LYS 61 HA LYS 61 6.898 23.668 1.921 430 HB2 LYS 61 HB2 LYS 61 5.801 24.471 -0.068 431 HB3 LYS 61 HB3 LYS 61 4.262 23.792 0.449 432 HG2 LYS 61 HG2 LYS 61 4.256 26.175 0.779 433 HG3 LYS 61 HG3 LYS 61 4.233 25.361 2.345 434 HD2 LYS 61 HD2 LYS 61 6.673 25.706 2.522 435 HD3 LYS 61 HD3 LYS 61 6.637 26.590 0.995 436 HE2 LYS 61 HE2 LYS 61 4.878 27.409 3.276 437 HE3 LYS 61 HE3 LYS 61 6.569 27.905 3.227 438 HZ1 LYS 61 HZ1 LYS 61 6.029 28.738 0.901 439 HZ2 LYS 61 HZ2 LYS 61 4.402 28.586 1.337 440 HZ3 LYS 61 HZ3 LYS 61 5.416 29.629 2.201 441 H VAL 62 H VAL 62 6.467 24.261 3.967 442 HA VAL 62 HA VAL 62 4.124 23.040 5.277 443 HB VAL 62 HB VAL 62 5.551 23.207 7.399 444 HG11 VAL 62 HG11 VAL 62 6.781 21.063 6.792 445 HG12 VAL 62 HG12 VAL 62 5.029 21.063 6.587 446 HG13 VAL 62 HG13 VAL 62 6.082 21.249 5.184 447 HG21 VAL 62 HG21 VAL 62 7.975 22.884 5.775 448 HG22 VAL 62 HG22 VAL 62 7.305 24.516 5.795 449 HG23 VAL 62 HG23 VAL 62 7.738 23.721 7.309 450 HA PRO 63 HA PRO 63 2.828 27.026 6.581 451 HB2 PRO 63 HB2 PRO 63 1.757 26.478 9.014 452 HB3 PRO 63 HB3 PRO 63 0.986 26.003 7.496 453 HG2 PRO 63 HG2 PRO 63 2.661 24.368 9.364 454 HG3 PRO 63 HG3 PRO 63 1.157 23.928 8.532 455 HD2 PRO 63 HD2 PRO 63 3.595 23.144 7.650 456 HD3 PRO 63 HD3 PRO 63 2.242 23.473 6.549 457 H GLY 64 H GLY 64 4.051 28.672 7.241 458 HA2 GLY 64 HA2 GLY 64 4.891 29.300 9.732 459 HA3 GLY 64 HA3 GLY 64 6.181 28.255 9.152 460 H LYS 65 H LYS 65 7.848 29.296 8.313 461 HA LYS 65 HA LYS 65 7.475 31.480 6.470 462 HB2 LYS 65 HB2 LYS 65 8.338 31.928 9.270 463 HB3 LYS 65 HB3 LYS 65 9.267 32.760 8.030 464 HG2 LYS 65 HG2 LYS 65 6.955 33.517 7.149 465 HG3 LYS 65 HG3 LYS 65 6.385 33.069 8.757 466 HD2 LYS 65 HD2 LYS 65 8.300 34.528 9.635 467 HD3 LYS 65 HD3 LYS 65 8.393 35.168 7.993 468 HE2 LYS 65 HE2 LYS 65 7.003 36.594 9.381 469 HE3 LYS 65 HE3 LYS 65 6.033 35.823 8.127 470 HZ1 LYS 65 HZ1 LYS 65 4.711 35.073 9.717 471 HZ2 LYS 65 HZ2 LYS 65 5.983 34.145 10.337 472 HZ3 LYS 65 HZ3 LYS 65 5.711 35.708 10.925 473 H CYS 66 H CYS 66 9.190 31.729 5.100 474 HA CYS 66 HA CYS 66 11.143 29.631 5.077 475 HB2 CYS 66 HB2 CYS 66 10.262 30.382 2.970 476 HB3 CYS 66 HB3 CYS 66 10.730 32.045 3.307 477 H HIS 67 H HIS 67 13.285 29.711 5.548 478 HA HIS 67 HA HIS 67 14.420 32.282 6.398 479 HB2 HIS 67 HB2 HIS 67 15.497 31.171 8.321 480 HB3 HIS 67 HB3 HIS 67 13.740 31.116 8.430 481 HD1 HIS 67 HD1 HIS 67 16.702 28.905 7.681 482 HD2 HIS 67 HD2 HIS 67 12.648 28.591 8.534 483 HE1 HIS 67 HE1 HIS 67 16.280 26.454 8.055 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -0.889 -0.777 -2.978 2 HA2 GLY 1 HA2 GLY 1 1.267 -0.728 -1.121 3 HA3 GLY 1 HA3 GLY 1 1.402 -0.955 -2.859 4 H GLU 2 H GLU 2 1.577 0.893 -4.217 5 HA GLU 2 HA GLU 2 3.285 2.878 -3.277 6 HB2 GLU 2 HB2 GLU 2 2.650 2.097 -5.715 7 HB3 GLU 2 HB3 GLU 2 1.515 3.435 -5.618 8 HG2 GLU 2 HG2 GLU 2 3.433 4.919 -5.035 9 HG3 GLU 2 HG3 GLU 2 4.508 3.562 -5.368 10 H GLU 3 H GLU 3 2.959 5.171 -3.053 11 HA GLU 3 HA GLU 3 0.249 6.122 -2.633 12 HB2 GLU 3 HB2 GLU 3 0.784 6.946 -0.337 13 HB3 GLU 3 HB3 GLU 3 0.683 5.195 -0.463 14 HG2 GLU 3 HG2 GLU 3 3.232 5.271 -0.746 15 HG3 GLU 3 HG3 GLU 3 3.106 6.917 -0.125 16 H VAL 4 H VAL 4 0.134 8.069 -3.514 17 HA VAL 4 HA VAL 4 2.301 9.980 -3.138 18 HB VAL 4 HB VAL 4 2.190 10.586 -5.602 19 HG11 VAL 4 HG11 VAL 4 3.869 8.961 -4.234 20 HG12 VAL 4 HG12 VAL 4 3.355 7.888 -5.535 21 HG13 VAL 4 HG13 VAL 4 4.101 9.439 -5.915 22 HG21 VAL 4 HG21 VAL 4 0.945 7.841 -5.752 23 HG22 VAL 4 HG22 VAL 4 0.186 9.369 -6.202 24 HG23 VAL 4 HG23 VAL 4 1.553 8.755 -7.133 25 H ARG 5 H ARG 5 1.690 12.175 -3.812 26 HA ARG 5 HA ARG 5 -1.094 12.708 -4.348 27 HB2 ARG 5 HB2 ARG 5 -1.678 13.767 -2.344 28 HB3 ARG 5 HB3 ARG 5 -0.837 12.314 -1.819 29 HG2 ARG 5 HG2 ARG 5 0.403 15.051 -2.014 30 HG3 ARG 5 HG3 ARG 5 -0.203 14.310 -0.532 31 HD2 ARG 5 HD2 ARG 5 1.401 12.356 -1.216 32 HD3 ARG 5 HD3 ARG 5 2.195 13.613 -2.164 33 HE ARG 5 HE ARG 5 3.083 14.409 -0.227 34 HH11 ARG 5 HH11 ARG 5 0.221 12.584 0.546 35 HH12 ARG 5 HH12 ARG 5 0.422 12.746 2.259 36 HH21 ARG 5 HH21 ARG 5 3.360 14.628 2.027 37 HH22 ARG 5 HH22 ARG 5 2.208 13.910 3.101 38 H ASP 6 H ASP 6 -1.395 14.674 -5.285 39 HA ASP 6 HA ASP 6 0.934 16.102 -6.138 40 HB2 ASP 6 HB2 ASP 6 -0.720 17.589 -7.282 41 HB3 ASP 6 HB3 ASP 6 -0.904 15.882 -7.678 42 H ALA 7 H ALA 7 1.977 17.428 -4.806 43 HA ALA 7 HA ALA 7 0.433 19.459 -3.367 44 HB1 ALA 7 HB1 ALA 7 1.833 17.277 -2.127 45 HB2 ALA 7 HB2 ALA 7 2.550 18.817 -1.649 46 HB3 ALA 7 HB3 ALA 7 0.829 18.527 -1.391 47 H TYR 8 H TYR 8 1.817 21.257 -2.590 48 HA TYR 8 HA TYR 8 3.574 22.104 -4.675 49 HB2 TYR 8 HB2 TYR 8 2.387 23.284 -2.248 50 HB3 TYR 8 HB3 TYR 8 3.957 23.940 -2.699 51 HD1 TYR 8 HD1 TYR 8 0.511 24.289 -3.135 52 HD2 TYR 8 HD2 TYR 8 4.169 24.512 -5.297 53 HE1 TYR 8 HE1 TYR 8 -0.577 25.716 -4.817 54 HE2 TYR 8 HE2 TYR 8 3.091 25.941 -6.984 55 HH TYR 8 HH TYR 8 -0.305 26.926 -6.658 56 H ILE 9 H ILE 9 5.507 21.146 -4.849 57 HA ILE 9 HA ILE 9 6.992 20.057 -2.719 58 HB ILE 9 HB ILE 9 7.260 19.468 -5.148 59 HG12 ILE 9 HG12 ILE 9 9.777 20.243 -3.656 60 HG13 ILE 9 HG13 ILE 9 8.874 18.749 -3.434 61 HG21 ILE 9 HG21 ILE 9 9.303 21.448 -5.667 62 HG22 ILE 9 HG22 ILE 9 7.934 20.953 -6.663 63 HG23 ILE 9 HG23 ILE 9 7.722 22.191 -5.426 64 HD11 ILE 9 HD11 ILE 9 9.343 18.180 -5.798 65 HD12 ILE 9 HD12 ILE 9 10.362 19.616 -5.897 66 HD13 ILE 9 HD13 ILE 9 10.787 18.308 -4.793 67 H ALA 10 H ALA 10 8.878 20.778 -1.694 68 HA ALA 10 HA ALA 10 9.686 23.553 -2.070 69 HB1 ALA 10 HB1 ALA 10 8.288 22.519 0.335 70 HB2 ALA 10 HB2 ALA 10 9.612 23.658 0.577 71 HB3 ALA 10 HB3 ALA 10 8.227 24.114 -0.414 72 H GLN 11 H GLN 11 11.814 23.891 -1.676 73 HA GLN 11 HA GLN 11 13.621 21.817 -1.622 74 HB2 GLN 11 HB2 GLN 11 15.250 23.593 -0.727 75 HB3 GLN 11 HB3 GLN 11 14.471 23.899 -2.273 76 HG2 GLN 11 HG2 GLN 11 12.925 25.420 -1.269 77 HG3 GLN 11 HG3 GLN 11 13.493 25.004 0.347 78 HE21 GLN 11 HE21 GLN 11 14.419 26.505 -2.694 79 HE22 GLN 11 HE22 GLN 11 15.635 27.535 -2.027 80 HA PRO 12 HA PRO 12 13.923 20.303 2.482 81 HB2 PRO 12 HB2 PRO 12 16.585 19.814 2.708 82 HB3 PRO 12 HB3 PRO 12 15.508 18.829 1.710 83 HG2 PRO 12 HG2 PRO 12 17.354 21.039 0.892 84 HG3 PRO 12 HG3 PRO 12 17.067 19.474 0.110 85 HD2 PRO 12 HD2 PRO 12 15.937 21.771 -0.771 86 HD3 PRO 12 HD3 PRO 12 15.130 20.196 -0.909 87 H HIS 13 H HIS 13 15.408 23.223 1.590 88 HA HIS 13 HA HIS 13 16.364 23.799 4.289 89 HB2 HIS 13 HB2 HIS 13 16.698 25.127 1.619 90 HB3 HIS 13 HB3 HIS 13 17.003 26.034 3.097 91 HD1 HIS 13 HD1 HIS 13 18.536 23.647 0.796 92 HD2 HIS 13 HD2 HIS 13 19.138 24.897 4.712 93 HE1 HIS 13 HE1 HIS 13 20.851 22.873 1.400 94 H ASN 14 H ASN 14 13.535 23.484 3.822 95 HA ASN 14 HA ASN 14 11.530 24.500 4.208 96 HB2 ASN 14 HB2 ASN 14 13.127 24.990 6.313 97 HB3 ASN 14 HB3 ASN 14 12.808 26.648 5.812 98 HD21 ASN 14 HD21 ASN 14 10.224 26.424 4.898 99 HD22 ASN 14 HD22 ASN 14 9.181 26.047 6.222 100 H CYS 15 H CYS 15 11.566 25.184 1.916 101 HA CYS 15 HA CYS 15 10.794 27.885 1.659 102 HB2 CYS 15 HB2 CYS 15 13.598 27.405 1.377 103 HB3 CYS 15 HB3 CYS 15 12.944 27.837 -0.201 104 H VAL 16 H VAL 16 10.310 28.458 -0.640 105 HA VAL 16 HA VAL 16 9.209 26.127 -1.975 106 HB VAL 16 HB VAL 16 8.145 27.790 -3.490 107 HG11 VAL 16 HG11 VAL 16 7.431 28.853 -0.851 108 HG12 VAL 16 HG12 VAL 16 6.437 28.030 -2.053 109 HG13 VAL 16 HG13 VAL 16 7.451 27.092 -0.955 110 HG21 VAL 16 HG21 VAL 16 8.972 29.844 -3.644 111 HG22 VAL 16 HG22 VAL 16 8.496 30.148 -1.973 112 HG23 VAL 16 HG23 VAL 16 10.101 29.511 -2.331 113 H TYR 17 H TYR 17 10.026 25.189 -3.737 114 HA TYR 17 HA TYR 17 12.584 25.715 -4.687 115 HB2 TYR 17 HB2 TYR 17 10.310 24.035 -5.542 116 HB3 TYR 17 HB3 TYR 17 11.473 24.428 -6.804 117 HD1 TYR 17 HD1 TYR 17 13.970 23.984 -6.245 118 HD2 TYR 17 HD2 TYR 17 10.723 22.252 -4.109 119 HE1 TYR 17 HE1 TYR 17 15.462 22.207 -5.428 120 HE2 TYR 17 HE2 TYR 17 12.206 20.471 -3.286 121 HH TYR 17 HH TYR 17 15.627 20.342 -4.239 122 H HIS 18 H HIS 18 13.230 27.538 -5.623 123 HA HIS 18 HA HIS 18 11.453 29.193 -7.158 124 HB2 HIS 18 HB2 HIS 18 13.172 30.221 -5.768 125 HB3 HIS 18 HB3 HIS 18 14.433 29.391 -6.676 126 HD1 HIS 18 HD1 HIS 18 12.419 32.443 -6.638 127 HD2 HIS 18 HD2 HIS 18 14.694 30.342 -9.407 128 HE1 HIS 18 HE1 HIS 18 12.831 34.051 -8.527 129 H CYS 19 H CYS 19 10.849 28.481 -9.108 130 HA CYS 19 HA CYS 19 12.890 27.310 -10.872 131 HB2 CYS 19 HB2 CYS 19 11.061 26.316 -12.122 132 HB3 CYS 19 HB3 CYS 19 10.893 25.915 -10.416 133 H PHE 20 H PHE 20 13.350 28.194 -12.829 134 HA PHE 20 HA PHE 20 12.730 30.935 -13.238 135 HB2 PHE 20 HB2 PHE 20 14.129 28.869 -14.932 136 HB3 PHE 20 HB3 PHE 20 13.895 30.527 -15.476 137 HD1 PHE 20 HD1 PHE 20 14.479 32.218 -13.318 138 HD2 PHE 20 HD2 PHE 20 16.285 28.486 -14.278 139 HE1 PHE 20 HE1 PHE 20 16.516 32.900 -12.119 140 HE2 PHE 20 HE2 PHE 20 18.325 29.162 -13.080 141 HZ PHE 20 HZ PHE 20 18.444 31.372 -12.000 142 H ARG 21 H ARG 21 11.659 27.935 -14.780 143 HA ARG 21 HA ARG 21 9.234 29.249 -15.663 144 HB2 ARG 21 HB2 ARG 21 9.475 28.654 -18.002 145 HB3 ARG 21 HB3 ARG 21 10.822 29.673 -17.510 146 HG2 ARG 21 HG2 ARG 21 11.965 27.325 -17.085 147 HG3 ARG 21 HG3 ARG 21 10.788 26.816 -18.297 148 HD2 ARG 21 HD2 ARG 21 11.954 29.238 -19.190 149 HD3 ARG 21 HD3 ARG 21 13.262 28.180 -18.665 150 HE ARG 21 HE ARG 21 12.834 26.818 -20.456 151 HH11 ARG 21 HH11 ARG 21 10.145 28.981 -19.993 152 HH12 ARG 21 HH12 ARG 21 9.356 28.526 -21.467 153 HH21 ARG 21 HH21 ARG 21 11.805 26.209 -22.398 154 HH22 ARG 21 HH22 ARG 21 10.301 26.948 -22.834 155 H ASP 22 H ASP 22 7.800 27.601 -16.846 156 HA ASP 22 HA ASP 22 7.283 25.454 -15.164 157 HB2 ASP 22 HB2 ASP 22 5.602 24.826 -16.669 158 HB3 ASP 22 HB3 ASP 22 5.779 26.554 -16.954 159 H SER 23 H SER 23 9.241 25.615 -18.081 160 HA SER 23 HA SER 23 9.610 22.883 -18.526 161 HB2 SER 23 HB2 SER 23 11.592 25.118 -19.026 162 HB3 SER 23 HB3 SER 23 11.617 23.522 -19.777 163 HG SER 23 HG SER 23 9.597 24.026 -20.727 164 H TYR 24 H TYR 24 11.079 25.047 -16.217 165 HA TYR 24 HA TYR 24 13.245 23.342 -15.495 166 HB2 TYR 24 HB2 TYR 24 12.929 25.893 -15.078 167 HB3 TYR 24 HB3 TYR 24 12.058 25.381 -13.636 168 HD1 TYR 24 HD1 TYR 24 13.220 24.463 -11.747 169 HD2 TYR 24 HD2 TYR 24 15.336 25.417 -15.314 170 HE1 TYR 24 HE1 TYR 24 15.349 24.230 -10.540 171 HE2 TYR 24 HE2 TYR 24 17.470 25.186 -14.116 172 HH TYR 24 HH TYR 24 18.173 23.758 -11.866 173 H CYS 25 H CYS 25 10.248 24.188 -13.748 174 HA CYS 25 HA CYS 25 10.536 22.259 -11.733 175 HB2 CYS 25 HB2 CYS 25 9.018 24.097 -11.418 176 HB3 CYS 25 HB3 CYS 25 8.076 23.628 -12.830 177 H ASN 26 H ASN 26 9.122 22.094 -14.937 178 HA ASN 26 HA ASN 26 7.662 19.746 -14.747 179 HB2 ASN 26 HB2 ASN 26 7.425 20.927 -16.757 180 HB3 ASN 26 HB3 ASN 26 9.166 21.028 -17.011 181 HD21 ASN 26 HD21 ASN 26 7.104 18.262 -16.231 182 HD22 ASN 26 HD22 ASN 26 7.511 17.341 -17.634 183 H ASP 27 H ASP 27 11.061 20.096 -15.765 184 HA ASP 27 HA ASP 27 11.499 17.259 -15.728 185 HB2 ASP 27 HB2 ASP 27 12.901 19.593 -16.654 186 HB3 ASP 27 HB3 ASP 27 13.986 18.595 -15.689 187 H LEU 28 H LEU 28 12.297 19.978 -13.619 188 HA LEU 28 HA LEU 28 14.003 18.761 -11.829 189 HB2 LEU 28 HB2 LEU 28 13.733 21.027 -11.499 190 HB3 LEU 28 HB3 LEU 28 11.975 20.934 -11.585 191 HG LEU 28 HG LEU 28 11.924 19.940 -9.344 192 HD11 LEU 28 HD11 LEU 28 14.600 19.370 -9.835 193 HD12 LEU 28 HD12 LEU 28 14.626 20.605 -8.576 194 HD13 LEU 28 HD13 LEU 28 13.718 19.114 -8.329 195 HD21 LEU 28 HD21 LEU 28 12.259 21.928 -8.169 196 HD22 LEU 28 HD22 LEU 28 13.603 22.421 -9.198 197 HD23 LEU 28 HD23 LEU 28 11.953 22.462 -9.821 198 H CYS 29 H CYS 29 10.511 18.509 -12.070 199 HA CYS 29 HA CYS 29 10.138 17.159 -9.587 200 HB2 CYS 29 HB2 CYS 29 8.438 17.553 -12.036 201 HB3 CYS 29 HB3 CYS 29 7.913 16.494 -10.733 202 H ILE 30 H ILE 30 10.750 16.140 -12.890 203 HA ILE 30 HA ILE 30 10.129 13.435 -12.692 204 HB ILE 30 HB ILE 30 12.393 14.639 -14.288 205 HG12 ILE 30 HG12 ILE 30 10.308 15.784 -14.787 206 HG13 ILE 30 HG13 ILE 30 10.737 14.732 -16.131 207 HG21 ILE 30 HG21 ILE 30 12.810 12.546 -14.902 208 HG22 ILE 30 HG22 ILE 30 11.423 11.951 -13.990 209 HG23 ILE 30 HG23 ILE 30 11.215 12.500 -15.653 210 HD11 ILE 30 HD11 ILE 30 9.117 13.096 -15.408 211 HD12 ILE 30 HD12 ILE 30 8.730 14.072 -13.991 212 HD13 ILE 30 HD13 ILE 30 8.347 14.671 -15.605 213 H LYS 31 H LYS 31 13.301 14.994 -12.213 214 HA LYS 31 HA LYS 31 14.772 12.772 -11.498 215 HB2 LYS 31 HB2 LYS 31 15.621 15.122 -11.855 216 HB3 LYS 31 HB3 LYS 31 15.076 15.494 -10.225 217 HG2 LYS 31 HG2 LYS 31 16.831 14.486 -9.280 218 HG3 LYS 31 HG3 LYS 31 16.773 13.120 -10.396 219 HD2 LYS 31 HD2 LYS 31 17.995 14.301 -12.047 220 HD3 LYS 31 HD3 LYS 31 17.800 15.835 -11.196 221 HE2 LYS 31 HE2 LYS 31 19.058 14.571 -9.275 222 HE3 LYS 31 HE3 LYS 31 19.609 13.538 -10.593 223 HZ1 LYS 31 HZ1 LYS 31 21.128 15.054 -11.072 224 HZ2 LYS 31 HZ2 LYS 31 19.914 16.184 -11.412 225 HZ3 LYS 31 HZ3 LYS 31 20.556 16.075 -9.850 226 H HIS 32 H HIS 32 12.745 14.822 -9.442 227 HA HIS 32 HA HIS 32 13.375 13.573 -6.995 228 HB2 HIS 32 HB2 HIS 32 11.076 15.256 -7.947 229 HB3 HIS 32 HB3 HIS 32 11.039 14.521 -6.346 230 HD1 HIS 32 HD1 HIS 32 11.793 16.097 -4.614 231 HD2 HIS 32 HD2 HIS 32 13.767 16.724 -8.216 232 HE1 HIS 32 HE1 HIS 32 13.358 18.020 -4.197 233 H GLY 33 H GLY 33 11.156 12.757 -9.561 234 HA2 GLY 33 HA2 GLY 33 10.615 10.365 -9.744 235 HA3 GLY 33 HA3 GLY 33 10.346 10.378 -8.008 236 H ALA 34 H ALA 34 9.268 12.936 -10.144 237 HA ALA 34 HA ALA 34 6.490 12.157 -9.552 238 HB1 ALA 34 HB1 ALA 34 6.775 14.868 -10.500 239 HB2 ALA 34 HB2 ALA 34 6.064 14.268 -9.002 240 HB3 ALA 34 HB3 ALA 34 7.798 14.571 -9.094 241 H GLU 35 H GLU 35 4.879 12.701 -11.214 242 HA GLU 35 HA GLU 35 5.601 11.647 -13.731 243 HB2 GLU 35 HB2 GLU 35 3.189 12.475 -12.391 244 HB3 GLU 35 HB3 GLU 35 3.191 13.070 -14.046 245 HG2 GLU 35 HG2 GLU 35 3.901 10.225 -13.529 246 HG3 GLU 35 HG3 GLU 35 2.210 10.720 -13.464 247 H SER 36 H SER 36 4.813 14.954 -12.693 248 HA SER 36 HA SER 36 6.564 16.062 -14.686 249 HB2 SER 36 HB2 SER 36 4.389 15.579 -15.916 250 HB3 SER 36 HB3 SER 36 3.644 16.807 -14.892 251 HG SER 36 HG SER 36 4.456 17.560 -16.968 252 H GLY 37 H GLY 37 5.844 18.649 -14.737 253 HA2 GLY 37 HA2 GLY 37 5.114 19.600 -12.110 254 HA3 GLY 37 HA3 GLY 37 6.820 19.791 -12.482 255 H GLU 38 H GLU 38 4.727 21.813 -12.015 256 HA GLU 38 HA GLU 38 5.304 23.442 -14.352 257 HB2 GLU 38 HB2 GLU 38 3.018 24.072 -14.763 258 HB3 GLU 38 HB3 GLU 38 3.137 22.320 -14.844 259 HG2 GLU 38 HG2 GLU 38 2.273 22.193 -12.534 260 HG3 GLU 38 HG3 GLU 38 2.067 23.943 -12.547 261 H CYS 39 H CYS 39 5.083 25.692 -13.982 262 HA CYS 39 HA CYS 39 5.361 26.403 -11.177 263 HB2 CYS 39 HB2 CYS 39 5.818 27.920 -13.746 264 HB3 CYS 39 HB3 CYS 39 5.940 28.676 -12.160 265 H LYS 40 H LYS 40 3.972 27.636 -10.022 266 HA LYS 40 HA LYS 40 1.594 28.686 -11.404 267 HB2 LYS 40 HB2 LYS 40 1.768 26.801 -9.129 268 HB3 LYS 40 HB3 LYS 40 0.577 28.085 -8.972 269 HG2 LYS 40 HG2 LYS 40 -0.694 27.309 -10.715 270 HG3 LYS 40 HG3 LYS 40 0.669 26.505 -11.494 271 HD2 LYS 40 HD2 LYS 40 0.656 24.970 -9.419 272 HD3 LYS 40 HD3 LYS 40 -0.970 25.600 -9.151 273 HE2 LYS 40 HE2 LYS 40 -1.237 24.970 -11.708 274 HE3 LYS 40 HE3 LYS 40 0.065 23.846 -11.319 275 HZ1 LYS 40 HZ1 LYS 40 -1.885 22.660 -10.926 276 HZ2 LYS 40 HZ2 LYS 40 -1.403 23.154 -9.381 277 HZ3 LYS 40 HZ3 LYS 40 -2.658 23.964 -10.176 278 H TRP 41 H TRP 41 1.413 30.800 -11.129 279 HA TRP 41 HA TRP 41 2.944 32.163 -9.099 280 HB2 TRP 41 HB2 TRP 41 2.391 32.905 -11.565 281 HB3 TRP 41 HB3 TRP 41 0.935 33.559 -10.821 282 HD1 TRP 41 HD1 TRP 41 4.750 33.745 -10.065 283 HE1 TRP 41 HE1 TRP 41 5.298 36.169 -9.396 284 HE3 TRP 41 HE3 TRP 41 0.058 35.750 -10.370 285 HZ2 TRP 41 HZ2 TRP 41 3.922 38.609 -9.043 286 HZ3 TRP 41 HZ3 TRP 41 -0.242 38.137 -9.851 287 HH2 TRP 41 HH2 TRP 41 1.652 39.535 -9.200 288 H PHE 42 H PHE 42 2.001 31.510 -7.151 289 HA PHE 42 HA PHE 42 -0.805 31.847 -6.661 290 HB2 PHE 42 HB2 PHE 42 0.343 30.113 -5.456 291 HB3 PHE 42 HB3 PHE 42 1.524 31.259 -4.828 292 HD1 PHE 42 HD1 PHE 42 -2.202 31.002 -4.929 293 HD2 PHE 42 HD2 PHE 42 1.290 31.717 -2.602 294 HE1 PHE 42 HE1 PHE 42 -3.604 31.344 -2.936 295 HE2 PHE 42 HE2 PHE 42 -0.106 32.060 -0.605 296 HZ PHE 42 HZ PHE 42 -2.556 31.873 -0.770 297 H THR 43 H THR 43 2.119 33.683 -6.022 298 HA THR 43 HA THR 43 0.568 36.076 -5.591 299 HB THR 43 HB THR 43 0.647 34.992 -3.321 300 HG1 THR 43 HG1 THR 43 0.761 36.957 -2.464 301 HG21 THR 43 HG21 THR 43 2.561 34.287 -2.417 302 HG22 THR 43 HG22 THR 43 3.336 34.600 -3.970 303 HG23 THR 43 HG23 THR 43 3.340 35.841 -2.717 304 H SER 44 H SER 44 2.294 37.860 -4.760 305 HA SER 44 HA SER 44 4.332 37.851 -6.829 306 HB2 SER 44 HB2 SER 44 2.777 39.830 -6.227 307 HB3 SER 44 HB3 SER 44 3.870 40.086 -4.866 308 HG SER 44 HG SER 44 4.413 41.287 -6.793 309 H SER 45 H SER 45 4.633 36.069 -4.546 310 HA SER 45 HA SER 45 6.979 37.236 -3.212 311 HB2 SER 45 HB2 SER 45 5.262 34.865 -2.442 312 HB3 SER 45 HB3 SER 45 6.701 35.385 -1.565 313 HG SER 45 HG SER 45 5.652 37.096 -0.819 314 H GLY 46 H GLY 46 6.593 35.802 -5.940 315 HA2 GLY 46 HA2 GLY 46 8.527 34.898 -7.075 316 HA3 GLY 46 HA3 GLY 46 8.932 34.041 -5.596 317 H ASN 47 H ASN 47 8.335 33.235 -8.486 318 HA ASN 47 HA ASN 47 5.952 31.700 -8.449 319 HB2 ASN 47 HB2 ASN 47 7.071 30.520 -10.425 320 HB3 ASN 47 HB3 ASN 47 6.795 32.251 -10.585 321 HD21 ASN 47 HD21 ASN 47 8.406 33.104 -11.676 322 HD22 ASN 47 HD22 ASN 47 10.084 32.775 -11.436 323 H ALA 48 H ALA 48 5.567 29.615 -7.893 324 HA ALA 48 HA ALA 48 7.770 28.183 -6.566 325 HB1 ALA 48 HB1 ALA 48 4.880 27.528 -6.149 326 HB2 ALA 48 HB2 ALA 48 6.254 27.254 -5.078 327 HB3 ALA 48 HB3 ALA 48 5.624 28.885 -5.305 328 H CYS 49 H CYS 49 7.665 25.792 -6.678 329 HA CYS 49 HA CYS 49 6.942 24.958 -9.398 330 HB2 CYS 49 HB2 CYS 49 9.269 24.619 -8.921 331 HB3 CYS 49 HB3 CYS 49 8.897 23.824 -7.394 332 H TRP 50 H TRP 50 5.239 23.694 -9.694 333 HA TRP 50 HA TRP 50 4.116 22.280 -7.376 334 HB2 TRP 50 HB2 TRP 50 2.526 23.777 -8.355 335 HB3 TRP 50 HB3 TRP 50 2.878 23.188 -9.977 336 HD1 TRP 50 HD1 TRP 50 1.787 20.856 -10.705 337 HE1 TRP 50 HE1 TRP 50 -0.199 19.519 -9.759 338 HE3 TRP 50 HE3 TRP 50 1.326 23.183 -6.176 339 HZ2 TRP 50 HZ2 TRP 50 -1.755 19.459 -7.405 340 HZ3 TRP 50 HZ3 TRP 50 -0.437 22.426 -4.635 341 HH2 TRP 50 HH2 TRP 50 -1.945 20.603 -5.239 342 H CYS 51 H CYS 51 4.375 20.158 -7.249 343 HA CYS 51 HA CYS 51 5.086 18.673 -9.683 344 HB2 CYS 51 HB2 CYS 51 5.596 18.143 -6.758 345 HB3 CYS 51 HB3 CYS 51 5.827 16.907 -7.989 346 H VAL 52 H VAL 52 4.108 16.665 -10.136 347 HA VAL 52 HA VAL 52 1.405 16.410 -9.011 348 HB VAL 52 HB VAL 52 2.525 15.251 -11.567 349 HG11 VAL 52 HG11 VAL 52 0.821 13.796 -10.991 350 HG12 VAL 52 HG12 VAL 52 -0.140 15.061 -10.224 351 HG13 VAL 52 HG13 VAL 52 -0.026 14.984 -11.982 352 HG21 VAL 52 HG21 VAL 52 0.589 17.532 -11.187 353 HG22 VAL 52 HG22 VAL 52 2.298 17.715 -11.583 354 HG23 VAL 52 HG23 VAL 52 1.209 16.917 -12.718 355 H LYS 53 H LYS 53 0.630 14.462 -8.239 356 HA LYS 53 HA LYS 53 0.887 12.616 -6.884 357 HB2 LYS 53 HB2 LYS 53 1.474 10.629 -8.158 358 HB3 LYS 53 HB3 LYS 53 0.476 11.698 -9.135 359 HG2 LYS 53 HG2 LYS 53 2.225 12.280 -10.527 360 HG3 LYS 53 HG3 LYS 53 3.453 11.828 -9.341 361 HD2 LYS 53 HD2 LYS 53 1.854 9.540 -9.990 362 HD3 LYS 53 HD3 LYS 53 2.453 10.285 -11.475 363 HE2 LYS 53 HE2 LYS 53 4.705 10.361 -10.071 364 HE3 LYS 53 HE3 LYS 53 3.943 9.001 -9.248 365 HZ1 LYS 53 HZ1 LYS 53 4.240 7.675 -11.006 366 HZ2 LYS 53 HZ2 LYS 53 3.818 8.869 -12.128 367 HZ3 LYS 53 HZ3 LYS 53 5.390 8.811 -11.505 368 H LEU 54 H LEU 54 2.896 14.435 -6.292 369 HA LEU 54 HA LEU 54 5.498 13.329 -6.384 370 HB2 LEU 54 HB2 LEU 54 4.624 15.750 -5.839 371 HB3 LEU 54 HB3 LEU 54 4.664 15.155 -4.181 372 HG LEU 54 HG LEU 54 7.058 14.703 -4.396 373 HD11 LEU 54 HD11 LEU 54 8.009 14.478 -6.383 374 HD12 LEU 54 HD12 LEU 54 6.500 14.937 -7.171 375 HD13 LEU 54 HD13 LEU 54 7.679 16.174 -6.736 376 HD21 LEU 54 HD21 LEU 54 6.922 16.766 -3.483 377 HD22 LEU 54 HD22 LEU 54 7.626 17.250 -5.025 378 HD23 LEU 54 HD23 LEU 54 5.887 17.388 -4.768 379 HA PRO 55 HA PRO 55 5.112 10.201 -3.279 380 HB2 PRO 55 HB2 PRO 55 7.762 9.707 -2.957 381 HB3 PRO 55 HB3 PRO 55 6.843 9.146 -4.360 382 HG2 PRO 55 HG2 PRO 55 8.633 11.531 -4.099 383 HG3 PRO 55 HG3 PRO 55 8.511 10.364 -5.428 384 HD2 PRO 55 HD2 PRO 55 7.345 12.806 -5.521 385 HD3 PRO 55 HD3 PRO 55 6.644 11.383 -6.317 386 H LYS 56 H LYS 56 5.174 10.078 -1.080 387 HA LYS 56 HA LYS 56 5.456 12.373 0.458 388 HB2 LYS 56 HB2 LYS 56 5.240 9.465 1.038 389 HB3 LYS 56 HB3 LYS 56 5.790 10.504 2.347 390 HG2 LYS 56 HG2 LYS 56 3.711 11.935 1.737 391 HG3 LYS 56 HG3 LYS 56 3.153 10.456 0.950 392 HD2 LYS 56 HD2 LYS 56 4.141 10.434 3.783 393 HD3 LYS 56 HD3 LYS 56 2.475 10.872 3.400 394 HE2 LYS 56 HE2 LYS 56 3.604 8.372 2.239 395 HE3 LYS 56 HE3 LYS 56 3.153 8.383 3.943 396 HZ1 LYS 56 HZ1 LYS 56 0.989 9.474 2.881 397 HZ2 LYS 56 HZ2 LYS 56 1.467 8.508 1.577 398 HZ3 LYS 56 HZ3 LYS 56 1.166 7.804 3.085 399 H SER 57 H SER 57 7.819 9.963 -0.444 400 HA SER 57 HA SER 57 9.814 10.388 1.415 401 HB2 SER 57 HB2 SER 57 9.845 9.613 -1.480 402 HB3 SER 57 HB3 SER 57 11.370 9.912 -0.646 403 HG SER 57 HG SER 57 10.674 7.702 -0.558 404 H GLU 58 H GLU 58 8.937 12.336 -1.375 405 HA GLU 58 HA GLU 58 11.206 14.086 -1.128 406 HB2 GLU 58 HB2 GLU 58 8.662 14.311 -2.742 407 HB3 GLU 58 HB3 GLU 58 9.996 15.453 -2.835 408 HG2 GLU 58 HG2 GLU 58 10.241 12.516 -3.435 409 HG3 GLU 58 HG3 GLU 58 9.963 13.763 -4.651 410 HA PRO 59 HA PRO 59 9.665 16.970 1.799 411 HB2 PRO 59 HB2 PRO 59 10.738 19.286 0.872 412 HB3 PRO 59 HB3 PRO 59 11.700 18.025 1.652 413 HG2 PRO 59 HG2 PRO 59 11.339 18.603 -1.263 414 HG3 PRO 59 HG3 PRO 59 12.821 18.193 -0.379 415 HD2 PRO 59 HD2 PRO 59 11.449 16.375 -1.843 416 HD3 PRO 59 HD3 PRO 59 12.346 15.939 -0.374 417 H ILE 60 H ILE 60 8.271 18.818 2.093 418 HA ILE 60 HA ILE 60 6.859 19.826 -0.242 419 HB ILE 60 HB ILE 60 4.633 19.325 0.817 420 HG12 ILE 60 HG12 ILE 60 6.287 17.388 2.452 421 HG13 ILE 60 HG13 ILE 60 5.475 18.818 3.079 422 HG21 ILE 60 HG21 ILE 60 5.663 18.063 -1.099 423 HG22 ILE 60 HG22 ILE 60 6.173 16.849 0.073 424 HG23 ILE 60 HG23 ILE 60 4.457 17.173 -0.170 425 HD11 ILE 60 HD11 ILE 60 3.674 17.600 3.444 426 HD12 ILE 60 HD12 ILE 60 3.537 17.297 1.712 427 HD13 ILE 60 HD13 ILE 60 4.458 16.190 2.730 428 H LYS 61 H LYS 61 5.697 21.739 0.144 429 HA LYS 61 HA LYS 61 6.774 23.535 1.941 430 HB2 LYS 61 HB2 LYS 61 5.469 24.224 -0.005 431 HB3 LYS 61 HB3 LYS 61 4.009 23.562 0.718 432 HG2 LYS 61 HG2 LYS 61 3.999 25.938 0.987 433 HG3 LYS 61 HG3 LYS 61 4.241 25.191 2.568 434 HD2 LYS 61 HD2 LYS 61 6.587 25.679 2.509 435 HD3 LYS 61 HD3 LYS 61 6.479 26.230 0.835 436 HE2 LYS 61 HE2 LYS 61 5.161 28.124 1.482 437 HE3 LYS 61 HE3 LYS 61 5.025 27.526 3.134 438 HZ1 LYS 61 HZ1 LYS 61 6.769 28.840 3.522 439 HZ2 LYS 61 HZ2 LYS 61 7.695 27.645 2.762 440 HZ3 LYS 61 HZ3 LYS 61 7.164 28.990 1.883 441 H VAL 62 H VAL 62 6.558 23.903 4.052 442 HA VAL 62 HA VAL 62 4.255 22.705 5.450 443 HB VAL 62 HB VAL 62 5.853 22.597 7.456 444 HG11 VAL 62 HG11 VAL 62 5.299 20.502 6.795 445 HG12 VAL 62 HG12 VAL 62 5.708 20.807 5.107 446 HG13 VAL 62 HG13 VAL 62 6.985 20.473 6.278 447 HG21 VAL 62 HG21 VAL 62 8.061 22.951 7.215 448 HG22 VAL 62 HG22 VAL 62 8.106 22.224 5.608 449 HG23 VAL 62 HG23 VAL 62 7.576 23.895 5.807 450 HA PRO 63 HA PRO 63 3.369 26.641 7.176 451 HB2 PRO 63 HB2 PRO 63 2.452 25.960 9.639 452 HB3 PRO 63 HB3 PRO 63 1.532 25.671 8.158 453 HG2 PRO 63 HG2 PRO 63 3.219 23.771 9.741 454 HG3 PRO 63 HG3 PRO 63 1.628 23.508 9.005 455 HD2 PRO 63 HD2 PRO 63 3.923 22.639 7.862 456 HD3 PRO 63 HD3 PRO 63 2.517 23.153 6.908 457 H GLY 64 H GLY 64 4.863 28.083 7.765 458 HA2 GLY 64 HA2 GLY 64 5.956 28.283 10.313 459 HA3 GLY 64 HA3 GLY 64 7.141 27.441 9.326 460 H LYS 65 H LYS 65 8.568 28.653 8.279 461 HA LYS 65 HA LYS 65 7.850 31.228 7.189 462 HB2 LYS 65 HB2 LYS 65 8.975 31.099 9.785 463 HB3 LYS 65 HB3 LYS 65 10.237 31.687 8.711 464 HG2 LYS 65 HG2 LYS 65 7.848 33.058 8.056 465 HG3 LYS 65 HG3 LYS 65 8.034 33.099 9.811 466 HD2 LYS 65 HD2 LYS 65 9.358 34.870 9.390 467 HD3 LYS 65 HD3 LYS 65 10.568 33.643 9.010 468 HE2 LYS 65 HE2 LYS 65 10.641 34.299 6.888 469 HE3 LYS 65 HE3 LYS 65 8.895 34.119 6.726 470 HZ1 LYS 65 HZ1 LYS 65 10.292 36.466 6.662 471 HZ2 LYS 65 HZ2 LYS 65 8.616 36.307 6.836 472 HZ3 LYS 65 HZ3 LYS 65 9.600 36.457 8.206 473 H CYS 66 H CYS 66 8.983 31.626 5.387 474 HA CYS 66 HA CYS 66 11.056 29.738 4.629 475 HB2 CYS 66 HB2 CYS 66 9.378 30.196 2.965 476 HB3 CYS 66 HB3 CYS 66 9.640 31.932 3.107 477 H HIS 67 H HIS 67 13.179 30.160 4.514 478 HA HIS 67 HA HIS 67 14.062 32.863 5.255 479 HB2 HIS 67 HB2 HIS 67 15.648 30.290 5.344 480 HB3 HIS 67 HB3 HIS 67 16.123 31.847 6.016 481 HD1 HIS 67 HD1 HIS 67 14.372 32.729 7.972 482 HD2 HIS 67 HD2 HIS 67 14.485 28.657 7.157 483 HE1 HIS 67 HE1 HIS 67 13.356 31.612 9.983 Start of MODEL 9 1 H1 GLY 1 H GLY 1 3.462 -0.827 1.224 2 HA2 GLY 1 HA2 GLY 1 2.195 -0.368 -0.822 3 HA3 GLY 1 HA3 GLY 1 1.456 0.484 0.524 4 H GLU 2 H GLU 2 2.430 0.829 -2.579 5 HA GLU 2 HA GLU 2 3.709 3.335 -2.618 6 HB2 GLU 2 HB2 GLU 2 3.114 3.422 -4.967 7 HB3 GLU 2 HB3 GLU 2 3.636 1.798 -4.548 8 HG2 GLU 2 HG2 GLU 2 1.269 1.118 -4.382 9 HG3 GLU 2 HG3 GLU 2 0.799 2.731 -4.915 10 H GLU 3 H GLU 3 2.947 5.414 -2.811 11 HA GLU 3 HA GLU 3 0.197 6.059 -3.130 12 HB2 GLU 3 HB2 GLU 3 -0.192 7.010 -0.887 13 HB3 GLU 3 HB3 GLU 3 0.026 5.267 -0.843 14 HG2 GLU 3 HG2 GLU 3 2.506 5.864 -0.337 15 HG3 GLU 3 HG3 GLU 3 1.835 7.426 0.131 16 H VAL 4 H VAL 4 0.054 8.065 -3.921 17 HA VAL 4 HA VAL 4 2.146 10.015 -3.260 18 HB VAL 4 HB VAL 4 2.118 10.748 -5.680 19 HG11 VAL 4 HG11 VAL 4 3.390 8.360 -6.226 20 HG12 VAL 4 HG12 VAL 4 4.113 9.772 -5.454 21 HG13 VAL 4 HG13 VAL 4 3.453 8.468 -4.467 22 HG21 VAL 4 HG21 VAL 4 0.122 9.645 -6.439 23 HG22 VAL 4 HG22 VAL 4 1.498 8.989 -7.326 24 HG23 VAL 4 HG23 VAL 4 0.778 8.066 -6.007 25 H ARG 5 H ARG 5 1.522 12.235 -4.189 26 HA ARG 5 HA ARG 5 -1.273 12.747 -4.575 27 HB2 ARG 5 HB2 ARG 5 -1.822 13.799 -2.575 28 HB3 ARG 5 HB3 ARG 5 -0.879 12.417 -2.032 29 HG2 ARG 5 HG2 ARG 5 0.126 15.239 -2.335 30 HG3 ARG 5 HG3 ARG 5 -0.264 14.425 -0.819 31 HD2 ARG 5 HD2 ARG 5 1.459 12.648 -1.775 32 HD3 ARG 5 HD3 ARG 5 2.059 14.067 -2.634 33 HE ARG 5 HE ARG 5 1.684 14.457 0.197 34 HH11 ARG 5 HH11 ARG 5 3.873 13.443 -2.313 35 HH12 ARG 5 HH12 ARG 5 5.297 13.748 -1.375 36 HH21 ARG 5 HH21 ARG 5 3.551 14.861 1.443 37 HH22 ARG 5 HH22 ARG 5 5.114 14.553 0.762 38 H ASP 6 H ASP 6 -1.718 15.046 -4.918 39 HA ASP 6 HA ASP 6 0.581 16.347 -6.151 40 HB2 ASP 6 HB2 ASP 6 -2.215 17.435 -6.227 41 HB3 ASP 6 HB3 ASP 6 -0.933 17.583 -7.426 42 H ALA 7 H ALA 7 1.766 17.595 -4.860 43 HA ALA 7 HA ALA 7 0.421 19.667 -3.302 44 HB1 ALA 7 HB1 ALA 7 1.692 17.362 -2.136 45 HB2 ALA 7 HB2 ALA 7 2.511 18.844 -1.639 46 HB3 ALA 7 HB3 ALA 7 0.780 18.655 -1.357 47 H TYR 8 H TYR 8 1.899 21.379 -2.601 48 HA TYR 8 HA TYR 8 3.710 22.082 -4.689 49 HB2 TYR 8 HB2 TYR 8 2.707 23.358 -2.198 50 HB3 TYR 8 HB3 TYR 8 4.232 23.953 -2.844 51 HD1 TYR 8 HD1 TYR 8 0.684 24.130 -3.066 52 HD2 TYR 8 HD2 TYR 8 4.252 24.667 -5.321 53 HE1 TYR 8 HE1 TYR 8 -0.550 25.523 -4.674 54 HE2 TYR 8 HE2 TYR 8 3.027 26.062 -6.935 55 HH TYR 8 HH TYR 8 0.024 27.362 -6.337 56 H ILE 9 H ILE 9 5.666 21.226 -4.884 57 HA ILE 9 HA ILE 9 7.060 19.966 -2.755 58 HB ILE 9 HB ILE 9 7.300 19.412 -5.204 59 HG12 ILE 9 HG12 ILE 9 9.834 19.979 -3.650 60 HG13 ILE 9 HG13 ILE 9 8.838 18.536 -3.502 61 HG21 ILE 9 HG21 ILE 9 8.285 20.793 -6.687 62 HG22 ILE 9 HG22 ILE 9 7.791 22.043 -5.545 63 HG23 ILE 9 HG23 ILE 9 9.437 21.412 -5.505 64 HD11 ILE 9 HD11 ILE 9 10.023 17.579 -5.097 65 HD12 ILE 9 HD12 ILE 9 9.504 18.828 -6.229 66 HD13 ILE 9 HD13 ILE 9 10.979 19.049 -5.288 67 H ALA 10 H ALA 10 8.967 20.587 -1.708 68 HA ALA 10 HA ALA 10 9.972 23.287 -2.079 69 HB1 ALA 10 HB1 ALA 10 8.369 22.446 0.273 70 HB2 ALA 10 HB2 ALA 10 9.763 23.488 0.556 71 HB3 ALA 10 HB3 ALA 10 8.473 24.014 -0.526 72 H GLN 11 H GLN 11 12.106 23.402 -1.698 73 HA GLN 11 HA GLN 11 13.710 21.194 -1.414 74 HB2 GLN 11 HB2 GLN 11 15.440 22.912 -0.516 75 HB3 GLN 11 HB3 GLN 11 14.822 23.092 -2.153 76 HG2 GLN 11 HG2 GLN 11 13.260 24.497 -0.118 77 HG3 GLN 11 HG3 GLN 11 14.920 25.063 -0.285 78 HE21 GLN 11 HE21 GLN 11 15.235 26.586 -1.731 79 HE22 GLN 11 HE22 GLN 11 14.244 26.906 -3.109 80 HA PRO 12 HA PRO 12 13.749 19.947 2.790 81 HB2 PRO 12 HB2 PRO 12 16.355 19.285 3.168 82 HB3 PRO 12 HB3 PRO 12 15.250 18.314 2.188 83 HG2 PRO 12 HG2 PRO 12 17.287 20.325 1.313 84 HG3 PRO 12 HG3 PRO 12 16.916 18.735 0.621 85 HD2 PRO 12 HD2 PRO 12 15.998 21.044 -0.457 86 HD3 PRO 12 HD3 PRO 12 15.082 19.524 -0.529 87 H HIS 13 H HIS 13 15.433 22.704 1.783 88 HA HIS 13 HA HIS 13 16.372 23.383 4.463 89 HB2 HIS 13 HB2 HIS 13 16.767 24.620 1.748 90 HB3 HIS 13 HB3 HIS 13 17.199 25.484 3.220 91 HD1 HIS 13 HD1 HIS 13 18.661 23.404 0.752 92 HD2 HIS 13 HD2 HIS 13 19.040 23.719 4.877 93 HE1 HIS 13 HE1 HIS 13 20.854 22.308 1.311 94 H ASN 14 H ASN 14 13.527 23.189 3.919 95 HA ASN 14 HA ASN 14 11.572 24.332 4.194 96 HB2 ASN 14 HB2 ASN 14 12.836 24.641 6.403 97 HB3 ASN 14 HB3 ASN 14 13.184 26.274 5.842 98 HD21 ASN 14 HD21 ASN 14 10.306 24.208 5.667 99 HD22 ASN 14 HD22 ASN 14 9.240 25.339 6.420 100 H CYS 15 H CYS 15 11.745 24.954 1.886 101 HA CYS 15 HA CYS 15 11.202 27.723 1.565 102 HB2 CYS 15 HB2 CYS 15 13.874 27.257 1.529 103 HB3 CYS 15 HB3 CYS 15 13.489 27.027 -0.173 104 H VAL 16 H VAL 16 10.490 28.251 -0.590 105 HA VAL 16 HA VAL 16 9.267 25.982 -1.896 106 HB VAL 16 HB VAL 16 8.221 27.698 -3.369 107 HG11 VAL 16 HG11 VAL 16 7.853 27.329 -0.536 108 HG12 VAL 16 HG12 VAL 16 7.353 28.948 -1.027 109 HG13 VAL 16 HG13 VAL 16 6.648 27.531 -1.806 110 HG21 VAL 16 HG21 VAL 16 8.496 30.047 -2.887 111 HG22 VAL 16 HG22 VAL 16 9.612 29.681 -1.571 112 HG23 VAL 16 HG23 VAL 16 10.072 29.336 -3.239 113 H TYR 17 H TYR 17 9.761 25.146 -3.861 114 HA TYR 17 HA TYR 17 12.362 25.514 -4.894 115 HB2 TYR 17 HB2 TYR 17 10.016 23.867 -5.524 116 HB3 TYR 17 HB3 TYR 17 10.996 24.274 -6.928 117 HD1 TYR 17 HD1 TYR 17 13.410 23.626 -6.967 118 HD2 TYR 17 HD2 TYR 17 10.758 22.277 -3.926 119 HE1 TYR 17 HE1 TYR 17 15.001 21.844 -6.380 120 HE2 TYR 17 HE2 TYR 17 12.342 20.492 -3.330 121 HH TYR 17 HH TYR 17 15.541 20.324 -4.747 122 H HIS 18 H HIS 18 12.812 27.548 -5.592 123 HA HIS 18 HA HIS 18 11.019 29.070 -7.220 124 HB2 HIS 18 HB2 HIS 18 12.577 30.216 -5.757 125 HB3 HIS 18 HB3 HIS 18 13.946 29.463 -6.568 126 HD1 HIS 18 HD1 HIS 18 11.786 32.402 -6.669 127 HD2 HIS 18 HD2 HIS 18 14.297 30.402 -9.306 128 HE1 HIS 18 HE1 HIS 18 12.217 34.020 -8.545 129 H CYS 19 H CYS 19 10.571 28.446 -9.231 130 HA CYS 19 HA CYS 19 12.744 27.370 -10.895 131 HB2 CYS 19 HB2 CYS 19 10.938 26.470 -12.333 132 HB3 CYS 19 HB3 CYS 19 10.852 25.862 -10.683 133 H PHE 20 H PHE 20 13.245 28.271 -12.853 134 HA PHE 20 HA PHE 20 12.577 31.024 -13.216 135 HB2 PHE 20 HB2 PHE 20 14.787 29.847 -13.801 136 HB3 PHE 20 HB3 PHE 20 13.964 29.301 -15.258 137 HD1 PHE 20 HD1 PHE 20 14.651 30.486 -17.091 138 HD2 PHE 20 HD2 PHE 20 14.086 32.541 -13.406 139 HE1 PHE 20 HE1 PHE 20 15.200 32.614 -18.198 140 HE2 PHE 20 HE2 PHE 20 14.633 34.672 -14.507 141 HZ PHE 20 HZ PHE 20 15.190 34.711 -16.906 142 H ARG 21 H ARG 21 11.654 28.002 -14.769 143 HA ARG 21 HA ARG 21 9.329 29.293 -15.912 144 HB2 ARG 21 HB2 ARG 21 9.797 28.414 -18.196 145 HB3 ARG 21 HB3 ARG 21 10.904 29.683 -17.690 146 HG2 ARG 21 HG2 ARG 21 12.651 28.128 -17.305 147 HG3 ARG 21 HG3 ARG 21 11.553 26.758 -17.470 148 HD2 ARG 21 HD2 ARG 21 11.251 27.210 -19.808 149 HD3 ARG 21 HD3 ARG 21 12.166 28.711 -19.681 150 HE ARG 21 HE ARG 21 13.758 26.532 -18.852 151 HH11 ARG 21 HH11 ARG 21 12.401 27.986 -21.710 152 HH12 ARG 21 HH12 ARG 21 13.650 27.403 -22.758 153 HH21 ARG 21 HH21 ARG 21 15.410 25.760 -20.223 154 HH22 ARG 21 HH22 ARG 21 15.361 26.136 -21.911 155 H ASP 22 H ASP 22 7.890 27.668 -16.999 156 HA ASP 22 HA ASP 22 7.282 25.567 -15.313 157 HB2 ASP 22 HB2 ASP 22 6.585 26.153 -18.171 158 HB3 ASP 22 HB3 ASP 22 6.064 24.642 -17.430 159 H SER 23 H SER 23 9.379 25.612 -18.132 160 HA SER 23 HA SER 23 9.718 22.854 -18.464 161 HB2 SER 23 HB2 SER 23 10.480 24.687 -20.039 162 HB3 SER 23 HB3 SER 23 11.853 24.934 -18.961 163 HG SER 23 HG SER 23 12.410 22.732 -19.325 164 H TYR 24 H TYR 24 11.281 25.141 -16.303 165 HA TYR 24 HA TYR 24 13.367 23.462 -15.418 166 HB2 TYR 24 HB2 TYR 24 13.217 25.952 -15.080 167 HB3 TYR 24 HB3 TYR 24 12.025 25.648 -13.821 168 HD1 TYR 24 HD1 TYR 24 12.761 24.114 -11.873 169 HD2 TYR 24 HD2 TYR 24 15.484 25.988 -14.551 170 HE1 TYR 24 HE1 TYR 24 14.565 23.830 -10.227 171 HE2 TYR 24 HE2 TYR 24 17.297 25.707 -12.913 172 HH TYR 24 HH TYR 24 17.901 24.652 -10.997 173 H CYS 25 H CYS 25 10.307 24.310 -13.786 174 HA CYS 25 HA CYS 25 10.567 22.423 -11.720 175 HB2 CYS 25 HB2 CYS 25 9.045 24.267 -11.464 176 HB3 CYS 25 HB3 CYS 25 8.128 23.774 -12.885 177 H ASN 26 H ASN 26 9.202 22.208 -14.943 178 HA ASN 26 HA ASN 26 7.759 19.843 -14.720 179 HB2 ASN 26 HB2 ASN 26 7.691 21.274 -16.712 180 HB3 ASN 26 HB3 ASN 26 9.354 20.836 -17.093 181 HD21 ASN 26 HD21 ASN 26 9.791 18.592 -17.578 182 HD22 ASN 26 HD22 ASN 26 8.561 17.631 -18.320 183 H ASP 27 H ASP 27 11.116 20.202 -15.876 184 HA ASP 27 HA ASP 27 11.609 17.391 -15.805 185 HB2 ASP 27 HB2 ASP 27 12.811 19.482 -17.059 186 HB3 ASP 27 HB3 ASP 27 13.936 19.207 -15.733 187 H LEU 28 H LEU 28 12.216 20.080 -13.628 188 HA LEU 28 HA LEU 28 13.992 18.869 -11.858 189 HB2 LEU 28 HB2 LEU 28 13.708 21.141 -11.539 190 HB3 LEU 28 HB3 LEU 28 11.950 21.032 -11.598 191 HG LEU 28 HG LEU 28 11.924 20.064 -9.360 192 HD11 LEU 28 HD11 LEU 28 13.711 19.062 -8.522 193 HD12 LEU 28 HD12 LEU 28 14.673 19.586 -9.905 194 HD13 LEU 28 HD13 LEU 28 14.555 20.610 -8.474 195 HD21 LEU 28 HD21 LEU 28 12.305 22.661 -9.986 196 HD22 LEU 28 HD22 LEU 28 12.036 22.071 -8.345 197 HD23 LEU 28 HD23 LEU 28 13.676 22.386 -8.911 198 H CYS 29 H CYS 29 10.503 18.613 -12.121 199 HA CYS 29 HA CYS 29 10.115 17.258 -9.644 200 HB2 CYS 29 HB2 CYS 29 8.429 17.645 -12.106 201 HB3 CYS 29 HB3 CYS 29 7.897 16.594 -10.797 202 H ILE 30 H ILE 30 10.716 16.241 -12.955 203 HA ILE 30 HA ILE 30 10.131 13.518 -12.695 204 HB ILE 30 HB ILE 30 12.263 14.757 -14.438 205 HG12 ILE 30 HG12 ILE 30 9.391 14.136 -15.145 206 HG13 ILE 30 HG13 ILE 30 9.951 15.736 -14.672 207 HG21 ILE 30 HG21 ILE 30 11.354 12.670 -15.846 208 HG22 ILE 30 HG22 ILE 30 12.715 12.559 -14.728 209 HG23 ILE 30 HG23 ILE 30 11.106 12.048 -14.215 210 HD11 ILE 30 HD11 ILE 30 10.076 14.432 -17.228 211 HD12 ILE 30 HD12 ILE 30 10.376 16.118 -16.807 212 HD13 ILE 30 HD13 ILE 30 11.680 14.937 -16.699 213 H LYS 31 H LYS 31 13.075 15.330 -11.985 214 HA LYS 31 HA LYS 31 14.763 13.136 -11.495 215 HB2 LYS 31 HB2 LYS 31 15.504 15.503 -11.805 216 HB3 LYS 31 HB3 LYS 31 14.893 15.862 -10.196 217 HG2 LYS 31 HG2 LYS 31 16.679 14.976 -9.190 218 HG3 LYS 31 HG3 LYS 31 16.724 13.587 -10.279 219 HD2 LYS 31 HD2 LYS 31 17.881 14.849 -11.949 220 HD3 LYS 31 HD3 LYS 31 17.656 16.349 -11.048 221 HE2 LYS 31 HE2 LYS 31 19.189 13.995 -9.968 222 HE3 LYS 31 HE3 LYS 31 19.945 15.291 -10.894 223 HZ1 LYS 31 HZ1 LYS 31 20.223 16.154 -8.846 224 HZ2 LYS 31 HZ2 LYS 31 18.642 16.711 -9.078 225 HZ3 LYS 31 HZ3 LYS 31 18.921 15.309 -8.173 226 H HIS 32 H HIS 32 12.479 14.856 -9.450 227 HA HIS 32 HA HIS 32 13.277 13.566 -7.026 228 HB2 HIS 32 HB2 HIS 32 10.880 15.213 -7.814 229 HB3 HIS 32 HB3 HIS 32 11.010 14.470 -6.223 230 HD1 HIS 32 HD1 HIS 32 11.694 16.191 -4.599 231 HD2 HIS 32 HD2 HIS 32 13.622 16.673 -8.247 232 HE1 HIS 32 HE1 HIS 32 13.243 18.147 -4.286 233 H GLY 33 H GLY 33 11.020 12.865 -9.590 234 HA2 GLY 33 HA2 GLY 33 10.533 10.453 -9.860 235 HA3 GLY 33 HA3 GLY 33 10.221 10.421 -8.132 236 H ALA 34 H ALA 34 9.182 13.025 -10.233 237 HA ALA 34 HA ALA 34 6.395 12.218 -9.728 238 HB1 ALA 34 HB1 ALA 34 6.751 14.962 -10.610 239 HB2 ALA 34 HB2 ALA 34 5.909 14.328 -9.196 240 HB3 ALA 34 HB3 ALA 34 7.649 14.605 -9.135 241 H GLU 35 H GLU 35 4.822 12.788 -11.416 242 HA GLU 35 HA GLU 35 5.601 11.787 -13.934 243 HB2 GLU 35 HB2 GLU 35 3.163 12.586 -12.638 244 HB3 GLU 35 HB3 GLU 35 3.206 13.243 -14.269 245 HG2 GLU 35 HG2 GLU 35 3.745 10.931 -15.078 246 HG3 GLU 35 HG3 GLU 35 3.410 10.362 -13.444 247 H SER 36 H SER 36 4.731 15.079 -12.900 248 HA SER 36 HA SER 36 6.564 16.213 -14.815 249 HB2 SER 36 HB2 SER 36 3.669 17.019 -15.080 250 HB3 SER 36 HB3 SER 36 5.012 17.396 -16.159 251 HG SER 36 HG SER 36 3.543 15.668 -16.850 252 H GLY 37 H GLY 37 5.891 18.800 -14.837 253 HA2 GLY 37 HA2 GLY 37 5.102 19.704 -12.202 254 HA3 GLY 37 HA3 GLY 37 6.810 19.912 -12.558 255 H GLU 38 H GLU 38 4.579 21.860 -12.115 256 HA GLU 38 HA GLU 38 5.194 23.546 -14.418 257 HB2 GLU 38 HB2 GLU 38 2.847 24.219 -14.688 258 HB3 GLU 38 HB3 GLU 38 3.069 22.506 -15.007 259 HG2 GLU 38 HG2 GLU 38 2.438 22.387 -12.410 260 HG3 GLU 38 HG3 GLU 38 1.575 23.858 -12.856 261 H CYS 39 H CYS 39 5.011 25.780 -14.014 262 HA CYS 39 HA CYS 39 5.314 26.470 -11.215 263 HB2 CYS 39 HB2 CYS 39 5.636 28.067 -13.758 264 HB3 CYS 39 HB3 CYS 39 5.860 28.747 -12.151 265 H LYS 40 H LYS 40 3.895 27.568 -9.990 266 HA LYS 40 HA LYS 40 1.461 28.597 -11.295 267 HB2 LYS 40 HB2 LYS 40 1.771 26.682 -9.082 268 HB3 LYS 40 HB3 LYS 40 0.620 27.973 -8.767 269 HG2 LYS 40 HG2 LYS 40 -0.784 26.482 -9.729 270 HG3 LYS 40 HG3 LYS 40 -0.222 27.295 -11.191 271 HD2 LYS 40 HD2 LYS 40 1.053 25.517 -11.853 272 HD3 LYS 40 HD3 LYS 40 1.350 24.976 -10.199 273 HE2 LYS 40 HE2 LYS 40 -1.260 24.713 -11.690 274 HE3 LYS 40 HE3 LYS 40 -0.089 23.419 -11.442 275 HZ1 LYS 40 HZ1 LYS 40 -1.389 22.998 -9.672 276 HZ2 LYS 40 HZ2 LYS 40 -0.476 24.218 -8.937 277 HZ3 LYS 40 HZ3 LYS 40 -1.999 24.574 -9.583 278 H TRP 41 H TRP 41 1.226 30.707 -11.023 279 HA TRP 41 HA TRP 41 2.798 32.128 -9.065 280 HB2 TRP 41 HB2 TRP 41 2.071 32.820 -11.524 281 HB3 TRP 41 HB3 TRP 41 0.684 33.490 -10.671 282 HD1 TRP 41 HD1 TRP 41 4.524 33.616 -10.033 283 HE1 TRP 41 HE1 TRP 41 5.148 36.058 -9.505 284 HE3 TRP 41 HE3 TRP 41 -0.107 35.743 -10.436 285 HZ2 TRP 41 HZ2 TRP 41 3.848 38.553 -9.287 286 HZ3 TRP 41 HZ3 TRP 41 -0.332 38.163 -10.051 287 HH2 TRP 41 HH2 TRP 41 1.606 39.537 -9.489 288 H PHE 42 H PHE 42 2.070 31.804 -7.023 289 HA PHE 42 HA PHE 42 -0.769 31.968 -6.432 290 HB2 PHE 42 HB2 PHE 42 0.567 30.251 -5.310 291 HB3 PHE 42 HB3 PHE 42 1.605 31.494 -4.618 292 HD1 PHE 42 HD1 PHE 42 -1.639 29.840 -4.443 293 HD2 PHE 42 HD2 PHE 42 0.823 32.900 -2.802 294 HE1 PHE 42 HE1 PHE 42 -3.132 29.991 -2.492 295 HE2 PHE 42 HE2 PHE 42 -0.664 33.055 -0.849 296 HZ PHE 42 HZ PHE 42 -2.646 31.600 -0.692 297 H THR 43 H THR 43 2.170 33.827 -5.940 298 HA THR 43 HA THR 43 0.635 36.217 -5.476 299 HB THR 43 HB THR 43 0.773 35.143 -3.199 300 HG1 THR 43 HG1 THR 43 1.024 37.113 -2.291 301 HG21 THR 43 HG21 THR 43 3.584 36.038 -2.951 302 HG22 THR 43 HG22 THR 43 2.743 34.712 -2.150 303 HG23 THR 43 HG23 THR 43 3.310 34.523 -3.810 304 H SER 44 H SER 44 2.418 37.984 -4.651 305 HA SER 44 HA SER 44 4.379 37.985 -6.796 306 HB2 SER 44 HB2 SER 44 3.941 40.177 -4.769 307 HB3 SER 44 HB3 SER 44 4.624 40.312 -6.388 308 HG SER 44 HG SER 44 1.956 40.062 -5.589 309 H SER 45 H SER 45 4.741 36.160 -4.559 310 HA SER 45 HA SER 45 7.150 37.274 -3.292 311 HB2 SER 45 HB2 SER 45 6.861 35.733 -1.518 312 HB3 SER 45 HB3 SER 45 5.238 36.327 -1.871 313 HG SER 45 HG SER 45 5.523 33.969 -1.640 314 H GLY 46 H GLY 46 6.633 35.880 -6.025 315 HA2 GLY 46 HA2 GLY 46 8.486 34.962 -7.264 316 HA3 GLY 46 HA3 GLY 46 8.981 34.113 -5.808 317 H ASN 47 H ASN 47 8.247 33.269 -8.640 318 HA ASN 47 HA ASN 47 5.866 31.740 -8.480 319 HB2 ASN 47 HB2 ASN 47 6.902 30.526 -10.484 320 HB3 ASN 47 HB3 ASN 47 6.614 32.254 -10.659 321 HD21 ASN 47 HD21 ASN 47 8.163 32.908 -11.993 322 HD22 ASN 47 HD22 ASN 47 9.857 32.658 -11.758 323 H ALA 48 H ALA 48 5.511 29.632 -7.943 324 HA ALA 48 HA ALA 48 7.747 28.241 -6.628 325 HB1 ALA 48 HB1 ALA 48 5.598 28.904 -5.357 326 HB2 ALA 48 HB2 ALA 48 4.868 27.539 -6.201 327 HB3 ALA 48 HB3 ALA 48 6.250 27.280 -5.136 328 H CYS 49 H CYS 49 7.695 25.851 -6.737 329 HA CYS 49 HA CYS 49 6.969 24.996 -9.450 330 HB2 CYS 49 HB2 CYS 49 9.308 24.715 -8.994 331 HB3 CYS 49 HB3 CYS 49 8.970 23.913 -7.463 332 H TRP 50 H TRP 50 5.256 23.741 -9.707 333 HA TRP 50 HA TRP 50 4.214 22.275 -7.386 334 HB2 TRP 50 HB2 TRP 50 2.589 23.768 -8.331 335 HB3 TRP 50 HB3 TRP 50 2.900 23.165 -9.957 336 HD1 TRP 50 HD1 TRP 50 1.877 20.751 -10.585 337 HE1 TRP 50 HE1 TRP 50 -0.093 19.430 -9.585 338 HE3 TRP 50 HE3 TRP 50 1.368 23.275 -6.170 339 HZ2 TRP 50 HZ2 TRP 50 -1.656 19.455 -7.234 340 HZ3 TRP 50 HZ3 TRP 50 -0.389 22.565 -4.601 341 HH2 TRP 50 HH2 TRP 50 -1.869 20.695 -5.124 342 H CYS 51 H CYS 51 4.257 20.120 -7.318 343 HA CYS 51 HA CYS 51 5.077 18.685 -9.753 344 HB2 CYS 51 HB2 CYS 51 5.505 18.093 -6.828 345 HB3 CYS 51 HB3 CYS 51 5.750 16.875 -8.075 346 H VAL 52 H VAL 52 4.094 16.687 -10.262 347 HA VAL 52 HA VAL 52 1.358 16.448 -9.220 348 HB VAL 52 HB VAL 52 2.541 15.347 -11.772 349 HG11 VAL 52 HG11 VAL 52 0.848 13.867 -11.445 350 HG12 VAL 52 HG12 VAL 52 -0.067 14.970 -10.416 351 HG13 VAL 52 HG13 VAL 52 -0.087 15.176 -12.167 352 HG21 VAL 52 HG21 VAL 52 0.629 17.638 -11.317 353 HG22 VAL 52 HG22 VAL 52 2.317 17.776 -11.811 354 HG23 VAL 52 HG23 VAL 52 1.142 17.020 -12.888 355 H LYS 53 H LYS 53 0.543 14.496 -8.501 356 HA LYS 53 HA LYS 53 0.743 12.624 -7.176 357 HB2 LYS 53 HB2 LYS 53 1.333 10.653 -8.473 358 HB3 LYS 53 HB3 LYS 53 0.374 11.754 -9.452 359 HG2 LYS 53 HG2 LYS 53 2.163 12.335 -10.791 360 HG3 LYS 53 HG3 LYS 53 3.356 11.848 -9.585 361 HD2 LYS 53 HD2 LYS 53 1.781 9.576 -10.272 362 HD3 LYS 53 HD3 LYS 53 2.333 10.346 -11.762 363 HE2 LYS 53 HE2 LYS 53 4.605 10.429 -10.329 364 HE3 LYS 53 HE3 LYS 53 3.871 8.982 -9.641 365 HZ1 LYS 53 HZ1 LYS 53 5.051 9.379 -12.227 366 HZ2 LYS 53 HZ2 LYS 53 4.751 7.941 -11.386 367 HZ3 LYS 53 HZ3 LYS 53 3.526 8.652 -12.310 368 H LEU 54 H LEU 54 2.757 14.401 -6.495 369 HA LEU 54 HA LEU 54 5.347 13.265 -6.550 370 HB2 LEU 54 HB2 LEU 54 4.495 15.685 -5.977 371 HB3 LEU 54 HB3 LEU 54 4.480 15.057 -4.330 372 HG LEU 54 HG LEU 54 6.874 14.572 -4.495 373 HD11 LEU 54 HD11 LEU 54 6.393 14.885 -7.275 374 HD12 LEU 54 HD12 LEU 54 7.573 16.097 -6.778 375 HD13 LEU 54 HD13 LEU 54 7.876 14.388 -6.460 376 HD21 LEU 54 HD21 LEU 54 7.470 17.141 -5.066 377 HD22 LEU 54 HD22 LEU 54 5.733 17.270 -4.793 378 HD23 LEU 54 HD23 LEU 54 6.775 16.608 -3.535 379 HA PRO 55 HA PRO 55 4.852 10.079 -3.521 380 HB2 PRO 55 HB2 PRO 55 7.488 9.547 -3.146 381 HB3 PRO 55 HB3 PRO 55 6.598 9.027 -4.581 382 HG2 PRO 55 HG2 PRO 55 8.407 11.385 -4.226 383 HG3 PRO 55 HG3 PRO 55 8.304 10.248 -5.584 384 HD2 PRO 55 HD2 PRO 55 7.168 12.704 -5.652 385 HD3 PRO 55 HD3 PRO 55 6.471 11.307 -6.496 386 H LYS 56 H LYS 56 4.885 9.891 -1.321 387 HA LYS 56 HA LYS 56 5.154 12.160 0.269 388 HB2 LYS 56 HB2 LYS 56 4.922 9.235 0.816 389 HB3 LYS 56 HB3 LYS 56 5.361 10.299 2.146 390 HG2 LYS 56 HG2 LYS 56 3.309 11.671 1.491 391 HG3 LYS 56 HG3 LYS 56 2.839 10.270 0.526 392 HD2 LYS 56 HD2 LYS 56 2.979 8.869 2.556 393 HD3 LYS 56 HD3 LYS 56 3.355 10.311 3.500 394 HE2 LYS 56 HE2 LYS 56 0.880 10.165 1.814 395 HE3 LYS 56 HE3 LYS 56 0.917 9.472 3.436 396 HZ1 LYS 56 HZ1 LYS 56 0.075 11.729 3.472 397 HZ2 LYS 56 HZ2 LYS 56 1.547 11.643 4.303 398 HZ3 LYS 56 HZ3 LYS 56 1.493 12.304 2.746 399 H SER 57 H SER 57 7.491 9.718 -0.617 400 HA SER 57 HA SER 57 9.443 10.069 1.303 401 HB2 SER 57 HB2 SER 57 9.595 8.351 -0.433 402 HB3 SER 57 HB3 SER 57 9.829 9.593 -1.663 403 HG SER 57 HG SER 57 11.561 8.989 0.503 404 H GLU 58 H GLU 58 8.676 12.083 -1.471 405 HA GLU 58 HA GLU 58 10.977 13.779 -1.140 406 HB2 GLU 58 HB2 GLU 58 8.475 14.087 -2.807 407 HB3 GLU 58 HB3 GLU 58 9.833 15.203 -2.848 408 HG2 GLU 58 HG2 GLU 58 10.040 12.274 -3.494 409 HG3 GLU 58 HG3 GLU 58 9.806 13.543 -4.695 410 HA PRO 59 HA PRO 59 9.431 16.644 1.803 411 HB2 PRO 59 HB2 PRO 59 10.573 18.952 0.942 412 HB3 PRO 59 HB3 PRO 59 11.492 17.658 1.720 413 HG2 PRO 59 HG2 PRO 59 11.207 18.294 -1.191 414 HG3 PRO 59 HG3 PRO 59 12.660 17.838 -0.282 415 HD2 PRO 59 HD2 PRO 59 11.283 16.075 -1.809 416 HD3 PRO 59 HD3 PRO 59 12.138 15.594 -0.329 417 H ILE 60 H ILE 60 8.123 18.585 2.081 418 HA ILE 60 HA ILE 60 6.748 19.601 -0.271 419 HB ILE 60 HB ILE 60 4.506 19.203 0.803 420 HG12 ILE 60 HG12 ILE 60 6.082 17.220 2.457 421 HG13 ILE 60 HG13 ILE 60 5.355 18.701 3.070 422 HG21 ILE 60 HG21 ILE 60 4.242 17.053 -0.157 423 HG22 ILE 60 HG22 ILE 60 5.493 17.870 -1.094 424 HG23 ILE 60 HG23 ILE 60 5.941 16.653 0.103 425 HD11 ILE 60 HD11 ILE 60 3.455 17.636 3.423 426 HD12 ILE 60 HD12 ILE 60 3.356 17.197 1.718 427 HD13 ILE 60 HD13 ILE 60 4.201 16.142 2.853 428 H LYS 61 H LYS 61 5.753 21.592 0.045 429 HA LYS 61 HA LYS 61 6.871 23.340 1.864 430 HB2 LYS 61 HB2 LYS 61 5.698 24.076 -0.152 431 HB3 LYS 61 HB3 LYS 61 4.167 23.537 0.523 432 HG2 LYS 61 HG2 LYS 61 4.375 25.934 0.720 433 HG3 LYS 61 HG3 LYS 61 4.388 25.190 2.320 434 HD2 LYS 61 HD2 LYS 61 6.869 25.322 2.301 435 HD3 LYS 61 HD3 LYS 61 6.773 26.193 0.768 436 HE2 LYS 61 HE2 LYS 61 5.744 28.050 1.760 437 HE3 LYS 61 HE3 LYS 61 5.308 27.143 3.208 438 HZ1 LYS 61 HZ1 LYS 61 7.130 28.016 4.101 439 HZ2 LYS 61 HZ2 LYS 61 8.026 26.978 3.112 440 HZ3 LYS 61 HZ3 LYS 61 7.716 28.564 2.612 441 H VAL 62 H VAL 62 6.395 24.051 3.886 442 HA VAL 62 HA VAL 62 4.047 22.879 5.225 443 HB VAL 62 HB VAL 62 5.517 22.853 7.326 444 HG11 VAL 62 HG11 VAL 62 5.248 20.682 6.937 445 HG12 VAL 62 HG12 VAL 62 5.182 20.956 5.196 446 HG13 VAL 62 HG13 VAL 62 6.737 20.712 5.992 447 HG21 VAL 62 HG21 VAL 62 7.807 22.952 7.169 448 HG22 VAL 62 HG22 VAL 62 7.820 22.505 5.464 449 HG23 VAL 62 HG23 VAL 62 7.346 24.134 5.945 450 HA PRO 63 HA PRO 63 3.123 26.915 6.685 451 HB2 PRO 63 HB2 PRO 63 2.047 26.377 9.119 452 HB3 PRO 63 HB3 PRO 63 1.214 26.023 7.601 453 HG2 PRO 63 HG2 PRO 63 2.769 24.186 9.381 454 HG3 PRO 63 HG3 PRO 63 1.221 23.905 8.562 455 HD2 PRO 63 HD2 PRO 63 3.568 22.946 7.610 456 HD3 PRO 63 HD3 PRO 63 2.231 23.428 6.546 457 H GLY 64 H GLY 64 4.600 28.366 7.290 458 HA2 GLY 64 HA2 GLY 64 5.523 28.746 9.864 459 HA3 GLY 64 HA3 GLY 64 6.738 27.752 9.076 460 H LYS 65 H LYS 65 8.251 28.725 7.874 461 HA LYS 65 HA LYS 65 7.883 31.067 6.365 462 HB2 LYS 65 HB2 LYS 65 7.864 31.840 8.882 463 HB3 LYS 65 HB3 LYS 65 9.608 31.669 8.734 464 HG2 LYS 65 HG2 LYS 65 9.641 33.257 6.908 465 HG3 LYS 65 HG3 LYS 65 7.881 33.387 6.961 466 HD2 LYS 65 HD2 LYS 65 7.912 34.492 9.027 467 HD3 LYS 65 HD3 LYS 65 9.571 33.993 9.368 468 HE2 LYS 65 HE2 LYS 65 8.940 35.750 7.023 469 HE3 LYS 65 HE3 LYS 65 9.120 36.431 8.639 470 HZ1 LYS 65 HZ1 LYS 65 11.204 34.650 7.573 471 HZ2 LYS 65 HZ2 LYS 65 11.160 36.267 7.078 472 HZ3 LYS 65 HZ3 LYS 65 11.337 35.889 8.718 473 H CYS 66 H CYS 66 9.456 31.164 4.881 474 HA CYS 66 HA CYS 66 11.652 29.295 5.070 475 HB2 CYS 66 HB2 CYS 66 10.534 29.446 2.947 476 HB3 CYS 66 HB3 CYS 66 10.765 31.191 2.890 477 H HIS 67 H HIS 67 13.802 29.769 5.235 478 HA HIS 67 HA HIS 67 14.594 32.048 6.633 479 HB2 HIS 67 HB2 HIS 67 16.891 31.327 6.193 480 HB3 HIS 67 HB3 HIS 67 15.879 29.953 6.626 481 HD1 HIS 67 HD1 HIS 67 18.023 31.277 3.938 482 HD2 HIS 67 HD2 HIS 67 15.255 28.218 4.429 483 HE1 HIS 67 HE1 HIS 67 18.358 29.747 1.972 Start of MODEL 10 1 H1 GLY 1 H GLY 1 2.424 -1.836 -3.958 2 HA2 GLY 1 HA2 GLY 1 0.778 -0.597 -2.939 3 HA3 GLY 1 HA3 GLY 1 1.696 -0.732 -1.447 4 H GLU 2 H GLU 2 2.435 0.807 -4.573 5 HA GLU 2 HA GLU 2 3.767 2.999 -3.483 6 HB2 GLU 2 HB2 GLU 2 3.520 4.047 -5.671 7 HB3 GLU 2 HB3 GLU 2 3.936 2.348 -5.845 8 HG2 GLU 2 HG2 GLU 2 1.066 3.101 -5.888 9 HG3 GLU 2 HG3 GLU 2 2.053 3.470 -7.300 10 H GLU 3 H GLU 3 3.164 5.145 -3.108 11 HA GLU 3 HA GLU 3 0.357 5.871 -3.222 12 HB2 GLU 3 HB2 GLU 3 0.426 6.608 -0.793 13 HB3 GLU 3 HB3 GLU 3 0.311 4.878 -1.079 14 HG2 GLU 3 HG2 GLU 3 2.779 4.736 -0.757 15 HG3 GLU 3 HG3 GLU 3 2.758 6.433 -0.282 16 H VAL 4 H VAL 4 0.290 7.850 -4.034 17 HA VAL 4 HA VAL 4 2.262 9.832 -3.149 18 HB VAL 4 HB VAL 4 2.341 10.694 -5.537 19 HG11 VAL 4 HG11 VAL 4 4.376 9.833 -5.263 20 HG12 VAL 4 HG12 VAL 4 3.754 8.492 -4.302 21 HG13 VAL 4 HG13 VAL 4 3.780 8.379 -6.062 22 HG21 VAL 4 HG21 VAL 4 1.936 8.998 -7.297 23 HG22 VAL 4 HG22 VAL 4 1.223 7.945 -6.076 24 HG23 VAL 4 HG23 VAL 4 0.465 9.491 -6.459 25 H ARG 5 H ARG 5 1.597 12.041 -3.488 26 HA ARG 5 HA ARG 5 -1.233 12.440 -4.116 27 HB2 ARG 5 HB2 ARG 5 -1.774 13.492 -2.106 28 HB3 ARG 5 HB3 ARG 5 -0.796 12.124 -1.590 29 HG2 ARG 5 HG2 ARG 5 0.186 14.952 -1.912 30 HG3 ARG 5 HG3 ARG 5 -0.221 14.168 -0.385 31 HD2 ARG 5 HD2 ARG 5 1.503 12.372 -1.210 32 HD3 ARG 5 HD3 ARG 5 2.093 13.700 -2.209 33 HE ARG 5 HE ARG 5 3.053 14.579 -0.343 34 HH11 ARG 5 HH11 ARG 5 0.449 12.489 0.644 35 HH12 ARG 5 HH12 ARG 5 0.769 12.672 2.336 36 HH21 ARG 5 HH21 ARG 5 3.484 14.827 1.883 37 HH22 ARG 5 HH22 ARG 5 2.496 14.004 3.040 38 H ASP 6 H ASP 6 -1.780 14.612 -4.655 39 HA ASP 6 HA ASP 6 0.424 16.040 -5.874 40 HB2 ASP 6 HB2 ASP 6 -1.452 17.550 -6.697 41 HB3 ASP 6 HB3 ASP 6 -1.507 15.876 -7.241 42 H ALA 7 H ALA 7 1.515 17.589 -4.881 43 HA ALA 7 HA ALA 7 0.159 19.537 -3.228 44 HB1 ALA 7 HB1 ALA 7 1.627 17.333 -2.053 45 HB2 ALA 7 HB2 ALA 7 2.288 18.896 -1.576 46 HB3 ALA 7 HB3 ALA 7 0.586 18.533 -1.287 47 H TYR 8 H TYR 8 1.609 21.312 -2.578 48 HA TYR 8 HA TYR 8 3.345 22.020 -4.743 49 HB2 TYR 8 HB2 TYR 8 2.277 23.359 -2.318 50 HB3 TYR 8 HB3 TYR 8 3.782 23.994 -2.974 51 HD1 TYR 8 HD1 TYR 8 0.196 23.719 -3.425 52 HD2 TYR 8 HD2 TYR 8 3.837 24.889 -5.291 53 HE1 TYR 8 HE1 TYR 8 -1.079 24.987 -5.104 54 HE2 TYR 8 HE2 TYR 8 2.571 26.161 -6.974 55 HH TYR 8 HH TYR 8 -0.978 26.176 -6.981 56 H ILE 9 H ILE 9 5.303 21.145 -4.899 57 HA ILE 9 HA ILE 9 6.776 20.068 -2.752 58 HB ILE 9 HB ILE 9 7.053 19.493 -5.197 59 HG12 ILE 9 HG12 ILE 9 9.544 20.192 -3.625 60 HG13 ILE 9 HG13 ILE 9 8.614 18.705 -3.475 61 HG21 ILE 9 HG21 ILE 9 9.141 21.464 -5.619 62 HG22 ILE 9 HG22 ILE 9 7.827 20.964 -6.683 63 HG23 ILE 9 HG23 ILE 9 7.546 22.197 -5.455 64 HD11 ILE 9 HD11 ILE 9 9.337 19.075 -6.205 65 HD12 ILE 9 HD12 ILE 9 10.770 19.245 -5.191 66 HD13 ILE 9 HD13 ILE 9 9.792 17.781 -5.096 67 H ALA 10 H ALA 10 8.664 20.804 -1.729 68 HA ALA 10 HA ALA 10 9.472 23.573 -2.118 69 HB1 ALA 10 HB1 ALA 10 8.035 22.579 0.284 70 HB2 ALA 10 HB2 ALA 10 9.344 23.738 0.517 71 HB3 ALA 10 HB3 ALA 10 7.969 24.155 -0.506 72 H GLN 11 H GLN 11 11.591 23.917 -1.671 73 HA GLN 11 HA GLN 11 13.392 21.837 -1.552 74 HB2 GLN 11 HB2 GLN 11 15.002 23.626 -0.642 75 HB3 GLN 11 HB3 GLN 11 14.266 23.903 -2.214 76 HG2 GLN 11 HG2 GLN 11 12.716 25.461 -1.302 77 HG3 GLN 11 HG3 GLN 11 13.190 25.051 0.347 78 HE21 GLN 11 HE21 GLN 11 14.240 26.573 -2.632 79 HE22 GLN 11 HE22 GLN 11 15.454 27.572 -1.917 80 HA PRO 12 HA PRO 12 13.602 20.384 2.581 81 HB2 PRO 12 HB2 PRO 12 16.257 19.899 2.874 82 HB3 PRO 12 HB3 PRO 12 15.202 18.899 1.867 83 HG2 PRO 12 HG2 PRO 12 17.068 21.096 1.058 84 HG3 PRO 12 HG3 PRO 12 16.797 19.519 0.293 85 HD2 PRO 12 HD2 PRO 12 15.690 21.804 -0.647 86 HD3 PRO 12 HD3 PRO 12 14.885 20.227 -0.780 87 H HIS 13 H HIS 13 15.114 23.290 1.678 88 HA HIS 13 HA HIS 13 16.008 23.907 4.391 89 HB2 HIS 13 HB2 HIS 13 17.070 24.542 1.950 90 HB3 HIS 13 HB3 HIS 13 16.198 26.019 2.352 91 HD1 HIS 13 HD1 HIS 13 19.132 23.957 3.366 92 HD2 HIS 13 HD2 HIS 13 17.221 27.453 4.545 93 HE1 HIS 13 HE1 HIS 13 20.720 25.088 4.954 94 H ASN 14 H ASN 14 13.189 23.585 3.863 95 HA ASN 14 HA ASN 14 11.178 24.609 4.191 96 HB2 ASN 14 HB2 ASN 14 12.181 24.917 6.412 97 HB3 ASN 14 HB3 ASN 14 12.898 26.436 5.884 98 HD21 ASN 14 HD21 ASN 14 9.674 25.100 5.315 99 HD22 ASN 14 HD22 ASN 14 8.813 26.400 6.062 100 H CYS 15 H CYS 15 11.283 25.250 1.883 101 HA CYS 15 HA CYS 15 10.496 27.937 1.554 102 HB2 CYS 15 HB2 CYS 15 13.317 27.469 1.356 103 HB3 CYS 15 HB3 CYS 15 12.698 27.909 -0.231 104 H VAL 16 H VAL 16 10.113 28.471 -0.781 105 HA VAL 16 HA VAL 16 9.115 26.090 -2.125 106 HB VAL 16 HB VAL 16 7.950 27.648 -3.621 107 HG11 VAL 16 HG11 VAL 16 7.646 27.698 -0.689 108 HG12 VAL 16 HG12 VAL 16 6.783 28.955 -1.575 109 HG13 VAL 16 HG13 VAL 16 6.489 27.256 -1.945 110 HG21 VAL 16 HG21 VAL 16 8.128 30.130 -2.504 111 HG22 VAL 16 HG22 VAL 16 9.793 29.560 -2.384 112 HG23 VAL 16 HG23 VAL 16 8.988 29.610 -3.953 113 H TYR 17 H TYR 17 9.964 25.227 -3.919 114 HA TYR 17 HA TYR 17 12.536 25.876 -4.793 115 HB2 TYR 17 HB2 TYR 17 10.362 24.094 -5.737 116 HB3 TYR 17 HB3 TYR 17 11.601 24.510 -6.915 117 HD1 TYR 17 HD1 TYR 17 14.077 24.212 -6.080 118 HD2 TYR 17 HD2 TYR 17 10.708 22.281 -4.340 119 HE1 TYR 17 HE1 TYR 17 15.558 22.491 -5.134 120 HE2 TYR 17 HE2 TYR 17 12.180 20.556 -3.389 121 HH TYR 17 HH TYR 17 15.699 20.744 -3.743 122 H HIS 18 H HIS 18 12.968 27.861 -5.563 123 HA HIS 18 HA HIS 18 11.169 29.351 -7.197 124 HB2 HIS 18 HB2 HIS 18 13.018 30.247 -5.650 125 HB3 HIS 18 HB3 HIS 18 14.126 29.877 -6.967 126 HD1 HIS 18 HD1 HIS 18 13.620 31.175 -9.272 127 HD2 HIS 18 HD2 HIS 18 11.724 32.638 -5.878 128 HE1 HIS 18 HE1 HIS 18 12.863 33.496 -9.874 129 H CYS 19 H CYS 19 10.669 28.619 -9.168 130 HA CYS 19 HA CYS 19 12.835 27.609 -10.883 131 HB2 CYS 19 HB2 CYS 19 11.147 26.458 -12.163 132 HB3 CYS 19 HB3 CYS 19 10.904 26.086 -10.460 133 H PHE 20 H PHE 20 13.237 28.502 -12.861 134 HA PHE 20 HA PHE 20 12.425 31.206 -13.263 135 HB2 PHE 20 HB2 PHE 20 14.197 29.269 -14.670 136 HB3 PHE 20 HB3 PHE 20 13.614 30.654 -15.587 137 HD1 PHE 20 HD1 PHE 20 15.386 32.108 -15.823 138 HD2 PHE 20 HD2 PHE 20 14.644 30.342 -12.022 139 HE1 PHE 20 HE1 PHE 20 17.151 33.506 -14.832 140 HE2 PHE 20 HE2 PHE 20 16.408 31.738 -11.025 141 HZ PHE 20 HZ PHE 20 17.665 33.321 -12.431 142 H ARG 21 H ARG 21 11.609 28.124 -14.783 143 HA ARG 21 HA ARG 21 9.142 29.264 -15.780 144 HB2 ARG 21 HB2 ARG 21 9.526 28.517 -18.100 145 HB3 ARG 21 HB3 ARG 21 10.652 29.778 -17.613 146 HG2 ARG 21 HG2 ARG 21 12.370 28.068 -17.218 147 HG3 ARG 21 HG3 ARG 21 11.238 26.828 -17.761 148 HD2 ARG 21 HD2 ARG 21 12.502 27.260 -19.662 149 HD3 ARG 21 HD3 ARG 21 11.059 28.243 -19.906 150 HE ARG 21 HE ARG 21 12.891 29.871 -18.640 151 HH11 ARG 21 HH11 ARG 21 12.701 28.089 -21.625 152 HH12 ARG 21 HH12 ARG 21 13.720 29.186 -22.497 153 HH21 ARG 21 HH21 ARG 21 14.234 31.323 -19.777 154 HH22 ARG 21 HH22 ARG 21 14.592 31.024 -21.444 155 H ASP 22 H ASP 22 7.717 27.588 -16.725 156 HA ASP 22 HA ASP 22 7.412 25.398 -15.072 157 HB2 ASP 22 HB2 ASP 22 5.685 24.695 -16.490 158 HB3 ASP 22 HB3 ASP 22 5.762 26.433 -16.767 159 H SER 23 H SER 23 9.199 25.664 -18.090 160 HA SER 23 HA SER 23 9.662 22.990 -18.646 161 HB2 SER 23 HB2 SER 23 11.659 25.235 -19.012 162 HB3 SER 23 HB3 SER 23 11.598 23.718 -19.909 163 HG SER 23 HG SER 23 10.630 25.607 -20.958 164 H TYR 24 H TYR 24 11.117 25.055 -16.234 165 HA TYR 24 HA TYR 24 13.261 23.261 -15.599 166 HB2 TYR 24 HB2 TYR 24 13.457 25.670 -15.182 167 HB3 TYR 24 HB3 TYR 24 12.127 25.588 -14.032 168 HD1 TYR 24 HD1 TYR 24 12.445 24.626 -11.826 169 HD2 TYR 24 HD2 TYR 24 15.657 24.804 -14.610 170 HE1 TYR 24 HE1 TYR 24 14.036 24.147 -10.012 171 HE2 TYR 24 HE2 TYR 24 17.257 24.325 -12.805 172 HH TYR 24 HH TYR 24 17.325 24.607 -10.282 173 H CYS 25 H CYS 25 10.347 24.265 -13.801 174 HA CYS 25 HA CYS 25 10.555 22.425 -11.726 175 HB2 CYS 25 HB2 CYS 25 9.001 24.255 -11.572 176 HB3 CYS 25 HB3 CYS 25 8.110 23.684 -12.978 177 H ASN 26 H ASN 26 9.211 22.063 -14.950 178 HA ASN 26 HA ASN 26 7.810 19.686 -14.652 179 HB2 ASN 26 HB2 ASN 26 7.552 20.762 -16.719 180 HB3 ASN 26 HB3 ASN 26 9.289 20.903 -16.968 181 HD21 ASN 26 HD21 ASN 26 7.331 18.107 -16.051 182 HD22 ASN 26 HD22 ASN 26 7.765 17.136 -17.412 183 H ASP 27 H ASP 27 11.188 20.061 -15.735 184 HA ASP 27 HA ASP 27 11.724 17.261 -15.578 185 HB2 ASP 27 HB2 ASP 27 12.920 19.282 -16.890 186 HB3 ASP 27 HB3 ASP 27 13.982 19.185 -15.488 187 H LEU 28 H LEU 28 12.247 20.018 -13.455 188 HA LEU 28 HA LEU 28 13.967 18.858 -11.597 189 HB2 LEU 28 HB2 LEU 28 13.683 21.133 -11.340 190 HB3 LEU 28 HB3 LEU 28 11.928 21.033 -11.474 191 HG LEU 28 HG LEU 28 11.782 20.146 -9.217 192 HD11 LEU 28 HD11 LEU 28 13.504 19.113 -8.280 193 HD12 LEU 28 HD12 LEU 28 14.546 19.591 -9.620 194 HD13 LEU 28 HD13 LEU 28 14.378 20.643 -8.215 195 HD21 LEU 28 HD21 LEU 28 12.193 22.702 -9.867 196 HD22 LEU 28 HD22 LEU 28 11.963 22.165 -8.202 197 HD23 LEU 28 HD23 LEU 28 13.590 22.455 -8.818 198 H CYS 29 H CYS 29 10.485 18.601 -11.957 199 HA CYS 29 HA CYS 29 10.008 17.327 -9.457 200 HB2 CYS 29 HB2 CYS 29 8.442 17.734 -11.973 201 HB3 CYS 29 HB3 CYS 29 7.871 16.554 -10.798 202 H ILE 30 H ILE 30 10.778 16.190 -12.689 203 HA ILE 30 HA ILE 30 10.193 13.473 -12.351 204 HB ILE 30 HB ILE 30 12.392 14.658 -14.047 205 HG12 ILE 30 HG12 ILE 30 9.556 13.997 -14.856 206 HG13 ILE 30 HG13 ILE 30 10.088 15.616 -14.416 207 HG21 ILE 30 HG21 ILE 30 12.829 12.409 -14.113 208 HG22 ILE 30 HG22 ILE 30 11.142 11.962 -13.863 209 HG23 ILE 30 HG23 ILE 30 11.674 12.550 -15.438 210 HD11 ILE 30 HD11 ILE 30 11.860 15.270 -16.262 211 HD12 ILE 30 HD12 ILE 30 10.787 13.983 -16.812 212 HD13 ILE 30 HD13 ILE 30 10.197 15.643 -16.716 213 H LYS 31 H LYS 31 13.201 15.269 -11.776 214 HA LYS 31 HA LYS 31 14.848 13.145 -11.080 215 HB2 LYS 31 HB2 LYS 31 15.518 15.556 -11.411 216 HB3 LYS 31 HB3 LYS 31 14.912 15.875 -9.790 217 HG2 LYS 31 HG2 LYS 31 16.719 14.995 -8.811 218 HG3 LYS 31 HG3 LYS 31 16.796 13.643 -9.943 219 HD2 LYS 31 HD2 LYS 31 17.978 14.914 -11.538 220 HD3 LYS 31 HD3 LYS 31 17.601 16.433 -10.723 221 HE2 LYS 31 HE2 LYS 31 19.273 14.257 -9.484 222 HE3 LYS 31 HE3 LYS 31 19.955 15.584 -10.423 223 HZ1 LYS 31 HZ1 LYS 31 18.481 16.958 -8.724 224 HZ2 LYS 31 HZ2 LYS 31 18.784 15.606 -7.753 225 HZ3 LYS 31 HZ3 LYS 31 20.074 16.506 -8.377 226 H HIS 32 H HIS 32 12.461 14.873 -9.165 227 HA HIS 32 HA HIS 32 13.188 13.648 -6.683 228 HB2 HIS 32 HB2 HIS 32 10.811 15.256 -7.596 229 HB3 HIS 32 HB3 HIS 32 10.878 14.541 -5.987 230 HD1 HIS 32 HD1 HIS 32 11.448 16.322 -4.380 231 HD2 HIS 32 HD2 HIS 32 13.591 16.703 -7.919 232 HE1 HIS 32 HE1 HIS 32 12.978 18.287 -4.032 233 H GLY 33 H GLY 33 11.028 12.871 -9.310 234 HA2 GLY 33 HA2 GLY 33 10.573 10.451 -9.551 235 HA3 GLY 33 HA3 GLY 33 10.206 10.447 -7.832 236 H ALA 34 H ALA 34 9.210 12.983 -10.041 237 HA ALA 34 HA ALA 34 6.415 12.181 -9.576 238 HB1 ALA 34 HB1 ALA 34 7.642 14.597 -9.059 239 HB2 ALA 34 HB2 ALA 34 6.787 14.883 -10.575 240 HB3 ALA 34 HB3 ALA 34 5.904 14.310 -9.159 241 H GLU 35 H GLU 35 4.881 12.740 -11.336 242 HA GLU 35 HA GLU 35 5.775 11.640 -13.801 243 HB2 GLU 35 HB2 GLU 35 3.517 11.227 -13.139 244 HB3 GLU 35 HB3 GLU 35 3.185 12.945 -12.969 245 HG2 GLU 35 HG2 GLU 35 3.329 13.260 -15.348 246 HG3 GLU 35 HG3 GLU 35 3.827 11.584 -15.575 247 H SER 36 H SER 36 4.891 14.906 -12.757 248 HA SER 36 HA SER 36 6.602 16.082 -14.733 249 HB2 SER 36 HB2 SER 36 4.601 17.481 -15.654 250 HB3 SER 36 HB3 SER 36 4.884 15.865 -16.298 251 HG SER 36 HG SER 36 2.976 16.645 -14.351 252 H GLY 37 H GLY 37 5.982 18.625 -14.767 253 HA2 GLY 37 HA2 GLY 37 5.066 19.580 -12.194 254 HA3 GLY 37 HA3 GLY 37 6.797 19.754 -12.452 255 H GLU 38 H GLU 38 4.584 21.749 -12.163 256 HA GLU 38 HA GLU 38 5.319 23.358 -14.495 257 HB2 GLU 38 HB2 GLU 38 3.021 24.115 -14.818 258 HB3 GLU 38 HB3 GLU 38 3.136 22.372 -15.024 259 HG2 GLU 38 HG2 GLU 38 2.332 22.122 -12.675 260 HG3 GLU 38 HG3 GLU 38 2.045 23.861 -12.652 261 H CYS 39 H CYS 39 5.130 25.632 -14.169 262 HA CYS 39 HA CYS 39 5.592 26.395 -11.417 263 HB2 CYS 39 HB2 CYS 39 5.820 27.803 -14.064 264 HB3 CYS 39 HB3 CYS 39 5.897 28.707 -12.554 265 H LYS 40 H LYS 40 4.394 27.870 -10.227 266 HA LYS 40 HA LYS 40 1.915 28.911 -11.335 267 HB2 LYS 40 HB2 LYS 40 2.067 26.742 -9.306 268 HB3 LYS 40 HB3 LYS 40 0.856 27.993 -9.057 269 HG2 LYS 40 HG2 LYS 40 -0.239 27.481 -11.076 270 HG3 LYS 40 HG3 LYS 40 1.112 26.500 -11.649 271 HD2 LYS 40 HD2 LYS 40 0.158 24.698 -10.764 272 HD3 LYS 40 HD3 LYS 40 0.282 25.431 -9.162 273 HE2 LYS 40 HE2 LYS 40 -2.021 24.780 -9.690 274 HE3 LYS 40 HE3 LYS 40 -1.867 26.522 -9.473 275 HZ1 LYS 40 HZ1 LYS 40 -3.136 25.451 -11.519 276 HZ2 LYS 40 HZ2 LYS 40 -2.314 26.925 -11.637 277 HZ3 LYS 40 HZ3 LYS 40 -1.583 25.503 -12.189 278 H TRP 41 H TRP 41 1.691 30.942 -10.688 279 HA TRP 41 HA TRP 41 3.344 31.984 -8.566 280 HB2 TRP 41 HB2 TRP 41 2.628 33.103 -10.842 281 HB3 TRP 41 HB3 TRP 41 1.222 33.611 -9.911 282 HD1 TRP 41 HD1 TRP 41 4.940 33.535 -8.796 283 HE1 TRP 41 HE1 TRP 41 5.577 35.902 -8.012 284 HE3 TRP 41 HE3 TRP 41 0.564 35.951 -9.871 285 HZ2 TRP 41 HZ2 TRP 41 4.382 38.455 -7.867 286 HZ3 TRP 41 HZ3 TRP 41 0.393 38.356 -9.378 287 HH2 TRP 41 HH2 TRP 41 2.264 39.580 -8.396 288 H PHE 42 H PHE 42 2.603 31.186 -6.631 289 HA PHE 42 HA PHE 42 -0.204 31.440 -5.937 290 HB2 PHE 42 HB2 PHE 42 0.966 29.424 -5.236 291 HB3 PHE 42 HB3 PHE 42 2.156 30.386 -4.367 292 HD1 PHE 42 HD1 PHE 42 -1.574 30.259 -4.509 293 HD2 PHE 42 HD2 PHE 42 1.931 30.252 -2.096 294 HE1 PHE 42 HE1 PHE 42 -2.970 30.147 -2.487 295 HE2 PHE 42 HE2 PHE 42 0.541 30.138 -0.070 296 HZ PHE 42 HZ PHE 42 -1.913 30.085 -0.263 297 H THR 43 H THR 43 2.878 32.925 -5.144 298 HA THR 43 HA THR 43 1.423 35.094 -3.806 299 HB THR 43 HB THR 43 4.046 34.489 -2.610 300 HG1 THR 43 HG1 THR 43 3.277 32.725 -1.427 301 HG21 THR 43 HG21 THR 43 2.949 36.143 -1.461 302 HG22 THR 43 HG22 THR 43 1.356 35.449 -1.766 303 HG23 THR 43 HG23 THR 43 2.410 34.734 -0.546 304 H SER 44 H SER 44 3.224 36.877 -3.246 305 HA SER 44 HA SER 44 4.361 37.570 -5.829 306 HB2 SER 44 HB2 SER 44 4.913 39.747 -4.556 307 HB3 SER 44 HB3 SER 44 3.214 39.381 -4.856 308 HG SER 44 HG SER 44 4.428 39.770 -2.524 309 H SER 45 H SER 45 5.528 35.453 -4.074 310 HA SER 45 HA SER 45 8.171 36.631 -3.554 311 HB2 SER 45 HB2 SER 45 6.850 35.310 -1.753 312 HB3 SER 45 HB3 SER 45 7.332 33.881 -2.667 313 HG SER 45 HG SER 45 8.771 34.590 -0.905 314 H GLY 46 H GLY 46 6.826 35.524 -6.126 315 HA2 GLY 46 HA2 GLY 46 8.216 34.934 -8.015 316 HA3 GLY 46 HA3 GLY 46 9.173 33.932 -6.933 317 H ASN 47 H ASN 47 8.075 33.060 -9.390 318 HA ASN 47 HA ASN 47 5.660 31.623 -9.016 319 HB2 ASN 47 HB2 ASN 47 7.880 31.108 -11.008 320 HB3 ASN 47 HB3 ASN 47 6.233 30.494 -11.110 321 HD21 ASN 47 HD21 ASN 47 8.149 32.587 -12.505 322 HD22 ASN 47 HD22 ASN 47 7.051 33.867 -12.881 323 H ALA 48 H ALA 48 5.309 29.823 -7.909 324 HA ALA 48 HA ALA 48 7.539 28.335 -6.812 325 HB1 ALA 48 HB1 ALA 48 4.843 27.293 -6.334 326 HB2 ALA 48 HB2 ALA 48 6.125 27.700 -5.193 327 HB3 ALA 48 HB3 ALA 48 5.079 28.967 -5.832 328 H CYS 49 H CYS 49 7.531 25.942 -6.870 329 HA CYS 49 HA CYS 49 6.880 25.016 -9.578 330 HB2 CYS 49 HB2 CYS 49 9.213 24.783 -9.054 331 HB3 CYS 49 HB3 CYS 49 8.845 24.001 -7.519 332 H TRP 50 H TRP 50 5.195 23.726 -9.849 333 HA TRP 50 HA TRP 50 4.054 22.366 -7.520 334 HB2 TRP 50 HB2 TRP 50 2.417 23.645 -8.659 335 HB3 TRP 50 HB3 TRP 50 2.956 23.077 -10.236 336 HD1 TRP 50 HD1 TRP 50 2.172 20.615 -10.989 337 HE1 TRP 50 HE1 TRP 50 0.208 19.143 -10.214 338 HE3 TRP 50 HE3 TRP 50 1.019 23.028 -6.631 339 HZ2 TRP 50 HZ2 TRP 50 -1.592 19.021 -8.043 340 HZ3 TRP 50 HZ3 TRP 50 -0.838 22.170 -5.265 341 HH2 TRP 50 HH2 TRP 50 -2.115 20.208 -5.957 342 H CYS 51 H CYS 51 3.776 20.175 -7.403 343 HA CYS 51 HA CYS 51 4.903 18.578 -9.608 344 HB2 CYS 51 HB2 CYS 51 5.371 18.358 -6.646 345 HB3 CYS 51 HB3 CYS 51 5.576 16.962 -7.698 346 H VAL 52 H VAL 52 3.766 16.825 -10.242 347 HA VAL 52 HA VAL 52 1.155 16.420 -8.985 348 HB VAL 52 HB VAL 52 1.106 16.783 -11.379 349 HG11 VAL 52 HG11 VAL 52 2.101 14.813 -12.785 350 HG12 VAL 52 HG12 VAL 52 3.129 16.150 -12.271 351 HG13 VAL 52 HG13 VAL 52 3.162 14.621 -11.389 352 HG21 VAL 52 HG21 VAL 52 -0.247 14.864 -10.086 353 HG22 VAL 52 HG22 VAL 52 -0.475 15.216 -11.798 354 HG23 VAL 52 HG23 VAL 52 0.562 13.878 -11.304 355 H LYS 53 H LYS 53 0.416 14.405 -8.313 356 HA LYS 53 HA LYS 53 0.724 12.511 -7.043 357 HB2 LYS 53 HB2 LYS 53 1.410 10.599 -8.401 358 HB3 LYS 53 HB3 LYS 53 0.342 11.658 -9.312 359 HG2 LYS 53 HG2 LYS 53 2.063 12.431 -10.671 360 HG3 LYS 53 HG3 LYS 53 3.316 11.899 -9.547 361 HD2 LYS 53 HD2 LYS 53 1.772 9.633 -10.323 362 HD3 LYS 53 HD3 LYS 53 2.246 10.514 -11.778 363 HE2 LYS 53 HE2 LYS 53 4.576 10.567 -10.472 364 HE3 LYS 53 HE3 LYS 53 3.909 9.089 -9.781 365 HZ1 LYS 53 HZ1 LYS 53 3.455 8.462 -12.207 366 HZ2 LYS 53 HZ2 LYS 53 4.568 9.675 -12.595 367 HZ3 LYS 53 HZ3 LYS 53 5.047 8.361 -11.644 368 H LEU 54 H LEU 54 2.636 14.332 -6.296 369 HA LEU 54 HA LEU 54 5.276 13.249 -6.418 370 HB2 LEU 54 HB2 LEU 54 4.418 15.687 -5.949 371 HB3 LEU 54 HB3 LEU 54 4.423 15.138 -4.275 372 HG LEU 54 HG LEU 54 6.823 14.643 -4.458 373 HD11 LEU 54 HD11 LEU 54 7.792 14.411 -6.434 374 HD12 LEU 54 HD12 LEU 54 6.297 14.889 -7.239 375 HD13 LEU 54 HD13 LEU 54 7.485 16.112 -6.786 376 HD21 LEU 54 HD21 LEU 54 5.634 17.075 -4.138 377 HD22 LEU 54 HD22 LEU 54 7.350 16.747 -3.890 378 HD23 LEU 54 HD23 LEU 54 6.791 17.406 -5.427 379 HA PRO 55 HA PRO 55 4.877 10.212 -3.233 380 HB2 PRO 55 HB2 PRO 55 7.524 9.770 -2.827 381 HB3 PRO 55 HB3 PRO 55 6.654 9.159 -4.238 382 HG2 PRO 55 HG2 PRO 55 8.397 11.580 -3.990 383 HG3 PRO 55 HG3 PRO 55 8.330 10.379 -5.293 384 HD2 PRO 55 HD2 PRO 55 7.127 12.797 -5.479 385 HD3 PRO 55 HD3 PRO 55 6.471 11.342 -6.257 386 H LYS 56 H LYS 56 4.952 10.099 -1.019 387 HA LYS 56 HA LYS 56 5.149 12.461 0.461 388 HB2 LYS 56 HB2 LYS 56 5.399 9.639 1.515 389 HB3 LYS 56 HB3 LYS 56 4.933 11.063 2.436 390 HG2 LYS 56 HG2 LYS 56 2.868 11.240 1.275 391 HG3 LYS 56 HG3 LYS 56 3.357 10.019 0.098 392 HD2 LYS 56 HD2 LYS 56 3.188 8.281 1.669 393 HD3 LYS 56 HD3 LYS 56 3.166 9.402 3.032 394 HE2 LYS 56 HE2 LYS 56 0.948 8.422 2.549 395 HE3 LYS 56 HE3 LYS 56 0.968 10.180 2.414 396 HZ1 LYS 56 HZ1 LYS 56 0.813 10.090 0.127 397 HZ2 LYS 56 HZ2 LYS 56 1.389 8.502 0.028 398 HZ3 LYS 56 HZ3 LYS 56 -0.178 8.800 0.591 399 H SER 57 H SER 57 7.534 10.033 -0.317 400 HA SER 57 HA SER 57 9.471 10.489 1.595 401 HB2 SER 57 HB2 SER 57 10.188 10.092 -1.303 402 HB3 SER 57 HB3 SER 57 11.012 9.476 0.129 403 HG SER 57 HG SER 57 9.847 7.758 -0.122 404 H GLU 58 H GLU 58 8.681 12.388 -1.255 405 HA GLU 58 HA GLU 58 10.946 14.135 -0.991 406 HB2 GLU 58 HB2 GLU 58 8.422 14.352 -2.636 407 HB3 GLU 58 HB3 GLU 58 9.758 15.491 -2.725 408 HG2 GLU 58 HG2 GLU 58 10.003 12.548 -3.294 409 HG3 GLU 58 HG3 GLU 58 9.746 13.785 -4.524 410 HA PRO 59 HA PRO 59 9.393 17.064 1.883 411 HB2 PRO 59 HB2 PRO 59 10.479 19.364 0.936 412 HB3 PRO 59 HB3 PRO 59 11.433 18.110 1.738 413 HG2 PRO 59 HG2 PRO 59 11.094 18.652 -1.187 414 HG3 PRO 59 HG3 PRO 59 12.568 18.250 -0.286 415 HD2 PRO 59 HD2 PRO 59 11.202 16.417 -1.736 416 HD3 PRO 59 HD3 PRO 59 12.086 15.996 -0.256 417 H ILE 60 H ILE 60 8.035 18.964 2.130 418 HA ILE 60 HA ILE 60 6.621 19.907 -0.230 419 HB ILE 60 HB ILE 60 4.395 19.470 0.852 420 HG12 ILE 60 HG12 ILE 60 6.022 17.569 2.555 421 HG13 ILE 60 HG13 ILE 60 5.254 19.045 3.131 422 HG21 ILE 60 HG21 ILE 60 4.151 17.430 -0.201 423 HG22 ILE 60 HG22 ILE 60 5.609 18.063 -0.966 424 HG23 ILE 60 HG23 ILE 60 5.737 16.856 0.315 425 HD11 ILE 60 HD11 ILE 60 3.406 17.912 3.538 426 HD12 ILE 60 HD12 ILE 60 3.279 17.492 1.830 427 HD13 ILE 60 HD13 ILE 60 4.167 16.440 2.933 428 H LYS 61 H LYS 61 5.450 21.835 0.108 429 HA LYS 61 HA LYS 61 6.572 23.692 1.816 430 HB2 LYS 61 HB2 LYS 61 4.446 23.630 -0.073 431 HB3 LYS 61 HB3 LYS 61 3.847 24.427 1.375 432 HG2 LYS 61 HG2 LYS 61 6.284 25.194 -0.217 433 HG3 LYS 61 HG3 LYS 61 4.746 26.058 -0.150 434 HD2 LYS 61 HD2 LYS 61 5.394 25.893 2.490 435 HD3 LYS 61 HD3 LYS 61 6.988 26.037 1.746 436 HE2 LYS 61 HE2 LYS 61 6.660 28.223 1.540 437 HE3 LYS 61 HE3 LYS 61 5.313 27.897 0.450 438 HZ1 LYS 61 HZ1 LYS 61 4.656 29.289 2.323 439 HZ2 LYS 61 HZ2 LYS 61 3.830 27.812 2.341 440 HZ3 LYS 61 HZ3 LYS 61 5.116 28.076 3.409 441 H VAL 62 H VAL 62 6.351 24.210 3.901 442 HA VAL 62 HA VAL 62 4.032 23.164 5.379 443 HB VAL 62 HB VAL 62 5.658 22.847 7.338 444 HG11 VAL 62 HG11 VAL 62 6.220 20.868 5.181 445 HG12 VAL 62 HG12 VAL 62 5.803 20.602 6.874 446 HG13 VAL 62 HG13 VAL 62 4.558 21.096 5.725 447 HG21 VAL 62 HG21 VAL 62 7.867 23.032 7.048 448 HG22 VAL 62 HG22 VAL 62 7.823 22.177 5.505 449 HG23 VAL 62 HG23 VAL 62 7.476 23.905 5.568 450 HA PRO 63 HA PRO 63 3.675 27.167 7.145 451 HB2 PRO 63 HB2 PRO 63 2.749 26.583 9.629 452 HB3 PRO 63 HB3 PRO 63 1.762 26.419 8.173 453 HG2 PRO 63 HG2 PRO 63 3.247 24.316 9.700 454 HG3 PRO 63 HG3 PRO 63 1.616 24.253 9.007 455 HD2 PRO 63 HD2 PRO 63 3.759 23.122 7.798 456 HD3 PRO 63 HD3 PRO 63 2.400 23.809 6.886 457 H GLY 64 H GLY 64 5.319 28.435 7.729 458 HA2 GLY 64 HA2 GLY 64 6.548 28.304 10.265 459 HA3 GLY 64 HA3 GLY 64 7.621 27.586 9.071 460 H LYS 65 H LYS 65 8.716 28.879 7.653 461 HA LYS 65 HA LYS 65 8.079 31.568 7.095 462 HB2 LYS 65 HB2 LYS 65 8.912 31.548 9.580 463 HB3 LYS 65 HB3 LYS 65 10.505 31.407 8.847 464 HG2 LYS 65 HG2 LYS 65 9.974 33.465 7.520 465 HG3 LYS 65 HG3 LYS 65 8.520 33.639 8.505 466 HD2 LYS 65 HD2 LYS 65 9.789 33.936 10.485 467 HD3 LYS 65 HD3 LYS 65 11.279 33.419 9.692 468 HE2 LYS 65 HE2 LYS 65 11.530 35.415 8.569 469 HE3 LYS 65 HE3 LYS 65 9.809 35.791 8.637 470 HZ1 LYS 65 HZ1 LYS 65 11.698 35.882 10.927 471 HZ2 LYS 65 HZ2 LYS 65 11.068 37.221 10.108 472 HZ3 LYS 65 HZ3 LYS 65 10.042 36.221 11.009 473 H CYS 66 H CYS 66 8.793 31.658 5.077 474 HA CYS 66 HA CYS 66 11.005 30.064 4.170 475 HB2 CYS 66 HB2 CYS 66 8.974 30.550 2.787 476 HB3 CYS 66 HB3 CYS 66 9.509 32.223 2.672 477 H HIS 67 H HIS 67 13.072 30.622 4.187 478 HA HIS 67 HA HIS 67 13.806 33.448 3.964 479 HB2 HIS 67 HB2 HIS 67 15.390 33.301 5.794 480 HB3 HIS 67 HB3 HIS 67 13.787 32.866 6.377 481 HD1 HIS 67 HD1 HIS 67 17.138 31.823 6.695 482 HD2 HIS 67 HD2 HIS 67 13.532 29.817 6.219 483 HE1 HIS 67 HE1 HIS 67 17.563 29.479 7.497 Start of MODEL 11 1 H1 GLY 1 H GLY 1 0.341 -0.166 -1.569 2 HA2 GLY 1 HA2 GLY 1 2.401 -0.465 -0.218 3 HA3 GLY 1 HA3 GLY 1 3.170 -1.010 -1.700 4 H GLU 2 H GLU 2 2.220 0.890 -3.493 5 HA GLU 2 HA GLU 2 3.863 3.151 -2.731 6 HB2 GLU 2 HB2 GLU 2 3.607 3.870 -5.046 7 HB3 GLU 2 HB3 GLU 2 4.081 2.178 -4.975 8 HG2 GLU 2 HG2 GLU 2 1.185 2.781 -5.122 9 HG3 GLU 2 HG3 GLU 2 2.155 3.053 -6.569 10 H GLU 3 H GLU 3 3.155 5.354 -2.905 11 HA GLU 3 HA GLU 3 0.381 5.998 -3.146 12 HB2 GLU 3 HB2 GLU 3 0.104 6.849 -0.827 13 HB3 GLU 3 HB3 GLU 3 0.253 5.100 -0.914 14 HG2 GLU 3 HG2 GLU 3 2.748 5.505 -0.434 15 HG3 GLU 3 HG3 GLU 3 2.230 7.108 0.084 16 H VAL 4 H VAL 4 0.244 8.005 -3.906 17 HA VAL 4 HA VAL 4 2.270 9.979 -3.134 18 HB VAL 4 HB VAL 4 2.295 10.776 -5.543 19 HG11 VAL 4 HG11 VAL 4 4.320 9.883 -5.286 20 HG12 VAL 4 HG12 VAL 4 3.693 8.557 -4.307 21 HG13 VAL 4 HG13 VAL 4 3.681 8.437 -6.067 22 HG21 VAL 4 HG21 VAL 4 0.350 9.557 -6.341 23 HG22 VAL 4 HG22 VAL 4 1.781 9.091 -7.258 24 HG23 VAL 4 HG23 VAL 4 1.150 8.023 -6.004 25 H ARG 5 H ARG 5 1.628 12.189 -3.519 26 HA ARG 5 HA ARG 5 -1.205 12.624 -4.090 27 HB2 ARG 5 HB2 ARG 5 -1.698 13.709 -2.085 28 HB3 ARG 5 HB3 ARG 5 -0.736 12.332 -1.566 29 HG2 ARG 5 HG2 ARG 5 0.284 15.140 -1.936 30 HG3 ARG 5 HG3 ARG 5 -0.107 14.377 -0.394 31 HD2 ARG 5 HD2 ARG 5 1.577 12.545 -1.287 32 HD3 ARG 5 HD3 ARG 5 2.185 13.906 -2.229 33 HE ARG 5 HE ARG 5 3.149 14.696 -0.325 34 HH11 ARG 5 HH11 ARG 5 0.517 12.598 0.566 35 HH12 ARG 5 HH12 ARG 5 0.833 12.707 2.266 36 HH21 ARG 5 HH21 ARG 5 3.576 14.848 1.910 37 HH22 ARG 5 HH22 ARG 5 2.572 13.988 3.030 38 H ASP 6 H ASP 6 -1.724 14.784 -4.671 39 HA ASP 6 HA ASP 6 0.498 16.173 -5.908 40 HB2 ASP 6 HB2 ASP 6 -2.333 17.165 -5.957 41 HB3 ASP 6 HB3 ASP 6 -1.084 17.310 -7.190 42 H ALA 7 H ALA 7 1.644 17.574 -4.760 43 HA ALA 7 HA ALA 7 0.260 19.612 -3.203 44 HB1 ALA 7 HB1 ALA 7 0.765 18.777 -1.213 45 HB2 ALA 7 HB2 ALA 7 1.545 17.392 -1.974 46 HB3 ALA 7 HB3 ALA 7 2.480 18.845 -1.622 47 H TYR 8 H TYR 8 1.749 21.367 -2.521 48 HA TYR 8 HA TYR 8 3.459 22.086 -4.703 49 HB2 TYR 8 HB2 TYR 8 2.386 23.406 -2.284 50 HB3 TYR 8 HB3 TYR 8 3.934 24.013 -2.860 51 HD1 TYR 8 HD1 TYR 8 0.382 24.033 -3.336 52 HD2 TYR 8 HD2 TYR 8 4.093 24.790 -5.276 53 HE1 TYR 8 HE1 TYR 8 -0.784 25.380 -5.032 54 HE2 TYR 8 HE2 TYR 8 2.936 26.139 -6.976 55 HH TYR 8 HH TYR 8 -0.150 27.287 -6.623 56 H ILE 9 H ILE 9 5.402 21.178 -4.892 57 HA ILE 9 HA ILE 9 6.893 20.084 -2.763 58 HB ILE 9 HB ILE 9 7.117 19.480 -5.203 59 HG12 ILE 9 HG12 ILE 9 9.646 20.169 -3.690 60 HG13 ILE 9 HG13 ILE 9 8.705 18.692 -3.509 61 HG21 ILE 9 HG21 ILE 9 9.217 21.418 -5.697 62 HG22 ILE 9 HG22 ILE 9 7.868 20.927 -6.721 63 HG23 ILE 9 HG23 ILE 9 7.639 22.178 -5.500 64 HD11 ILE 9 HD11 ILE 9 9.858 17.745 -5.134 65 HD12 ILE 9 HD12 ILE 9 9.368 19.015 -6.255 66 HD13 ILE 9 HD13 ILE 9 10.828 19.210 -5.285 67 H ALA 10 H ALA 10 8.805 20.797 -1.775 68 HA ALA 10 HA ALA 10 9.618 23.569 -2.188 69 HB1 ALA 10 HB1 ALA 10 7.948 22.774 -0.027 70 HB2 ALA 10 HB2 ALA 10 9.530 23.211 0.620 71 HB3 ALA 10 HB3 ALA 10 8.632 24.364 -0.368 72 H GLN 11 H GLN 11 11.756 23.900 -1.858 73 HA GLN 11 HA GLN 11 13.559 21.821 -1.848 74 HB2 GLN 11 HB2 GLN 11 15.217 23.597 -1.009 75 HB3 GLN 11 HB3 GLN 11 14.396 23.896 -2.534 76 HG2 GLN 11 HG2 GLN 11 12.896 25.437 -1.511 77 HG3 GLN 11 HG3 GLN 11 13.475 25.014 0.099 78 HE21 GLN 11 HE21 GLN 11 14.459 26.437 -2.972 79 HE22 GLN 11 HE22 GLN 11 15.664 27.482 -2.309 80 HA PRO 12 HA PRO 12 13.975 20.327 2.255 81 HB2 PRO 12 HB2 PRO 12 16.639 19.828 2.404 82 HB3 PRO 12 HB3 PRO 12 15.529 18.841 1.445 83 HG2 PRO 12 HG2 PRO 12 17.360 21.039 0.559 84 HG3 PRO 12 HG3 PRO 12 17.042 19.470 -0.205 85 HD2 PRO 12 HD2 PRO 12 15.898 21.768 -1.065 86 HD3 PRO 12 HD3 PRO 12 15.079 20.195 -1.171 87 H HIS 13 H HIS 13 15.430 23.240 1.304 88 HA HIS 13 HA HIS 13 16.480 23.826 3.968 89 HB2 HIS 13 HB2 HIS 13 16.706 25.174 1.291 90 HB3 HIS 13 HB3 HIS 13 17.109 26.042 2.769 91 HD1 HIS 13 HD1 HIS 13 18.910 24.685 0.260 92 HD2 HIS 13 HD2 HIS 13 18.858 23.813 4.322 93 HE1 HIS 13 HE1 HIS 13 21.125 23.596 0.743 94 H ASN 14 H ASN 14 13.634 23.513 3.592 95 HA ASN 14 HA ASN 14 11.645 24.533 4.045 96 HB2 ASN 14 HB2 ASN 14 13.001 24.865 6.173 97 HB3 ASN 14 HB3 ASN 14 13.298 26.510 5.616 98 HD21 ASN 14 HD21 ASN 14 10.438 24.413 5.570 99 HD22 ASN 14 HD22 ASN 14 9.403 25.519 6.402 100 H CYS 15 H CYS 15 11.635 25.195 1.736 101 HA CYS 15 HA CYS 15 10.831 27.888 1.481 102 HB2 CYS 15 HB2 CYS 15 13.626 27.460 1.175 103 HB3 CYS 15 HB3 CYS 15 12.964 27.807 -0.419 104 H VAL 16 H VAL 16 10.294 28.444 -0.809 105 HA VAL 16 HA VAL 16 9.190 26.093 -2.109 106 HB VAL 16 HB VAL 16 8.038 27.716 -3.582 107 HG11 VAL 16 HG11 VAL 16 6.694 28.818 -1.711 108 HG12 VAL 16 HG12 VAL 16 6.794 27.057 -1.707 109 HG13 VAL 16 HG13 VAL 16 7.796 27.999 -0.603 110 HG21 VAL 16 HG21 VAL 16 8.397 30.119 -2.172 111 HG22 VAL 16 HG22 VAL 16 10.012 29.493 -2.503 112 HG23 VAL 16 HG23 VAL 16 8.880 29.758 -3.829 113 H TYR 17 H TYR 17 10.004 25.153 -3.867 114 HA TYR 17 HA TYR 17 12.517 25.717 -4.888 115 HB2 TYR 17 HB2 TYR 17 10.224 24.043 -5.746 116 HB3 TYR 17 HB3 TYR 17 11.423 24.415 -6.978 117 HD1 TYR 17 HD1 TYR 17 13.914 23.981 -6.292 118 HD2 TYR 17 HD2 TYR 17 10.561 22.222 -4.352 119 HE1 TYR 17 HE1 TYR 17 15.361 22.187 -5.432 120 HE2 TYR 17 HE2 TYR 17 11.997 20.425 -3.485 121 HH TYR 17 HH TYR 17 14.202 19.851 -3.106 122 H HIS 18 H HIS 18 13.147 27.517 -5.870 123 HA HIS 18 HA HIS 18 11.308 29.166 -7.353 124 HB2 HIS 18 HB2 HIS 18 13.014 30.235 -5.996 125 HB3 HIS 18 HB3 HIS 18 14.287 29.407 -6.886 126 HD1 HIS 18 HD1 HIS 18 12.036 32.345 -7.022 127 HD2 HIS 18 HD2 HIS 18 14.756 30.417 -9.503 128 HE1 HIS 18 HE1 HIS 18 12.493 33.954 -8.900 129 H CYS 19 H CYS 19 10.707 28.531 -9.321 130 HA CYS 19 HA CYS 19 12.721 27.331 -11.097 131 HB2 CYS 19 HB2 CYS 19 10.848 26.423 -12.375 132 HB3 CYS 19 HB3 CYS 19 10.715 25.960 -10.681 133 H PHE 20 H PHE 20 13.253 28.264 -13.000 134 HA PHE 20 HA PHE 20 12.576 31.010 -13.397 135 HB2 PHE 20 HB2 PHE 20 14.198 29.031 -14.994 136 HB3 PHE 20 HB3 PHE 20 13.932 30.684 -15.538 137 HD1 PHE 20 HD1 PHE 20 14.198 32.289 -13.183 138 HD2 PHE 20 HD2 PHE 20 16.379 28.814 -14.313 139 HE1 PHE 20 HE1 PHE 20 16.101 33.044 -11.818 140 HE2 PHE 20 HE2 PHE 20 18.285 29.562 -12.950 141 HZ PHE 20 HZ PHE 20 18.148 31.680 -11.700 142 H ARG 21 H ARG 21 11.653 27.969 -14.910 143 HA ARG 21 HA ARG 21 9.328 29.246 -16.070 144 HB2 ARG 21 HB2 ARG 21 9.766 28.450 -18.342 145 HB3 ARG 21 HB3 ARG 21 11.011 29.575 -17.816 146 HG2 ARG 21 HG2 ARG 21 12.563 27.799 -17.450 147 HG3 ARG 21 HG3 ARG 21 11.312 26.584 -17.722 148 HD2 ARG 21 HD2 ARG 21 12.773 26.849 -19.674 149 HD3 ARG 21 HD3 ARG 21 11.103 27.281 -20.036 150 HE ARG 21 HE ARG 21 12.701 29.533 -19.274 151 HH11 ARG 21 HH11 ARG 21 11.804 27.453 -21.918 152 HH12 ARG 21 HH12 ARG 21 12.152 28.635 -23.136 153 HH21 ARG 21 HH21 ARG 21 13.163 31.096 -20.868 154 HH22 ARG 21 HH22 ARG 21 12.926 30.707 -22.538 155 H ASP 22 H ASP 22 7.878 27.612 -17.119 156 HA ASP 22 HA ASP 22 7.276 25.533 -15.405 157 HB2 ASP 22 HB2 ASP 22 5.833 26.565 -17.252 158 HB3 ASP 22 HB3 ASP 22 6.632 25.441 -18.348 159 H SER 23 H SER 23 9.116 25.413 -18.438 160 HA SER 23 HA SER 23 9.514 22.693 -18.654 161 HB2 SER 23 HB2 SER 23 11.476 24.908 -19.301 162 HB3 SER 23 HB3 SER 23 11.596 23.247 -19.881 163 HG SER 23 HG SER 23 10.583 24.443 -21.457 164 H TYR 24 H TYR 24 11.084 24.988 -16.523 165 HA TYR 24 HA TYR 24 13.197 23.297 -15.679 166 HB2 TYR 24 HB2 TYR 24 13.016 25.833 -15.407 167 HB3 TYR 24 HB3 TYR 24 11.974 25.503 -14.026 168 HD1 TYR 24 HD1 TYR 24 12.881 24.793 -11.941 169 HD2 TYR 24 HD2 TYR 24 15.395 25.113 -15.358 170 HE1 TYR 24 HE1 TYR 24 14.859 24.550 -10.501 171 HE2 TYR 24 HE2 TYR 24 17.381 24.871 -13.928 172 HH TYR 24 HH TYR 24 17.773 25.416 -11.220 173 H CYS 25 H CYS 25 10.203 24.256 -13.988 174 HA CYS 25 HA CYS 25 10.461 22.464 -11.858 175 HB2 CYS 25 HB2 CYS 25 8.914 24.296 -11.697 176 HB3 CYS 25 HB3 CYS 25 8.009 23.722 -13.094 177 H ASN 26 H ASN 26 9.063 22.069 -15.056 178 HA ASN 26 HA ASN 26 7.670 19.694 -14.704 179 HB2 ASN 26 HB2 ASN 26 7.683 21.127 -16.769 180 HB3 ASN 26 HB3 ASN 26 9.254 20.438 -17.169 181 HD21 ASN 26 HD21 ASN 26 9.318 18.034 -17.281 182 HD22 ASN 26 HD22 ASN 26 7.959 17.235 -17.985 183 H ASP 27 H ASP 27 11.010 20.051 -15.906 184 HA ASP 27 HA ASP 27 11.557 17.259 -15.724 185 HB2 ASP 27 HB2 ASP 27 12.845 19.567 -16.781 186 HB3 ASP 27 HB3 ASP 27 13.978 18.773 -15.690 187 H LEU 28 H LEU 28 12.099 20.026 -13.629 188 HA LEU 28 HA LEU 28 13.889 18.923 -11.811 189 HB2 LEU 28 HB2 LEU 28 13.536 21.183 -11.529 190 HB3 LEU 28 HB3 LEU 28 11.784 21.028 -11.644 191 HG LEU 28 HG LEU 28 11.690 20.131 -9.389 192 HD11 LEU 28 HD11 LEU 28 14.305 20.710 -8.447 193 HD12 LEU 28 HD12 LEU 28 13.446 19.170 -8.443 194 HD13 LEU 28 HD13 LEU 28 14.443 19.620 -9.827 195 HD21 LEU 28 HD21 LEU 28 12.047 22.706 -10.043 196 HD22 LEU 28 HD22 LEU 28 11.802 22.155 -8.386 197 HD23 LEU 28 HD23 LEU 28 13.432 22.481 -8.974 198 H CYS 29 H CYS 29 10.401 18.569 -12.062 199 HA CYS 29 HA CYS 29 10.061 17.241 -9.564 200 HB2 CYS 29 HB2 CYS 29 8.355 17.549 -12.021 201 HB3 CYS 29 HB3 CYS 29 7.857 16.500 -10.698 202 H ILE 30 H ILE 30 10.698 16.190 -12.853 203 HA ILE 30 HA ILE 30 10.145 13.485 -12.657 204 HB ILE 30 HB ILE 30 12.445 14.730 -14.168 205 HG12 ILE 30 HG12 ILE 30 10.349 15.806 -14.765 206 HG13 ILE 30 HG13 ILE 30 10.863 14.754 -16.079 207 HG21 ILE 30 HG21 ILE 30 11.639 12.639 -15.665 208 HG22 ILE 30 HG22 ILE 30 12.936 12.550 -14.474 209 HG23 ILE 30 HG23 ILE 30 11.309 12.015 -14.049 210 HD11 ILE 30 HD11 ILE 30 8.460 14.618 -15.660 211 HD12 ILE 30 HD12 ILE 30 9.266 13.073 -15.389 212 HD13 ILE 30 HD13 ILE 30 8.785 14.069 -14.016 213 H LYS 31 H LYS 31 13.273 15.090 -12.056 214 HA LYS 31 HA LYS 31 14.746 12.892 -11.276 215 HB2 LYS 31 HB2 LYS 31 15.587 15.241 -11.603 216 HB3 LYS 31 HB3 LYS 31 14.948 15.629 -10.012 217 HG2 LYS 31 HG2 LYS 31 16.672 14.683 -8.961 218 HG3 LYS 31 HG3 LYS 31 16.670 13.276 -10.027 219 HD2 LYS 31 HD2 LYS 31 17.962 14.403 -11.665 220 HD3 LYS 31 HD3 LYS 31 17.731 15.964 -10.874 221 HE2 LYS 31 HE2 LYS 31 19.919 15.299 -10.320 222 HE3 LYS 31 HE3 LYS 31 18.952 14.966 -8.884 223 HZ1 LYS 31 HZ1 LYS 31 20.567 13.196 -10.242 224 HZ2 LYS 31 HZ2 LYS 31 19.477 12.831 -9.001 225 HZ3 LYS 31 HZ3 LYS 31 18.987 12.721 -10.616 226 H HIS 32 H HIS 32 12.619 14.924 -9.299 227 HA HIS 32 HA HIS 32 13.161 13.677 -6.832 228 HB2 HIS 32 HB2 HIS 32 10.847 15.303 -7.858 229 HB3 HIS 32 HB3 HIS 32 10.831 14.616 -6.237 230 HD1 HIS 32 HD1 HIS 32 11.490 16.309 -4.578 231 HD2 HIS 32 HD2 HIS 32 13.551 16.788 -8.153 232 HE1 HIS 32 HE1 HIS 32 13.017 18.274 -4.215 233 H GLY 33 H GLY 33 11.055 12.842 -9.484 234 HA2 GLY 33 HA2 GLY 33 10.540 10.446 -9.691 235 HA3 GLY 33 HA3 GLY 33 10.207 10.452 -7.965 236 H ALA 34 H ALA 34 9.186 12.991 -10.158 237 HA ALA 34 HA ALA 34 6.396 12.215 -9.632 238 HB1 ALA 34 HB1 ALA 34 6.679 14.888 -10.666 239 HB2 ALA 34 HB2 ALA 34 5.965 14.340 -9.149 240 HB3 ALA 34 HB3 ALA 34 7.698 14.654 -9.245 241 H GLU 35 H GLU 35 4.833 12.840 -11.372 242 HA GLU 35 HA GLU 35 5.683 11.702 -13.853 243 HB2 GLU 35 HB2 GLU 35 3.429 11.312 -13.013 244 HB3 GLU 35 HB3 GLU 35 3.084 13.035 -13.075 245 HG2 GLU 35 HG2 GLU 35 2.056 12.151 -14.970 246 HG3 GLU 35 HG3 GLU 35 3.545 12.878 -15.568 247 H SER 36 H SER 36 4.781 14.953 -12.779 248 HA SER 36 HA SER 36 6.402 16.147 -14.826 249 HB2 SER 36 HB2 SER 36 3.905 15.561 -15.690 250 HB3 SER 36 HB3 SER 36 3.622 17.156 -14.993 251 HG SER 36 HG SER 36 4.332 17.759 -16.896 252 H GLY 37 H GLY 37 5.792 18.687 -14.806 253 HA2 GLY 37 HA2 GLY 37 4.982 19.639 -12.203 254 HA3 GLY 37 HA3 GLY 37 6.707 19.780 -12.503 255 H GLU 38 H GLU 38 4.489 21.794 -12.170 256 HA GLU 38 HA GLU 38 5.236 23.426 -14.479 257 HB2 GLU 38 HB2 GLU 38 3.010 24.106 -14.958 258 HB3 GLU 38 HB3 GLU 38 2.989 22.350 -14.883 259 HG2 GLU 38 HG2 GLU 38 2.085 22.451 -12.619 260 HG3 GLU 38 HG3 GLU 38 2.110 24.212 -12.688 261 H CYS 39 H CYS 39 4.960 25.715 -14.137 262 HA CYS 39 HA CYS 39 5.464 26.444 -11.378 263 HB2 CYS 39 HB2 CYS 39 5.615 27.928 -13.995 264 HB3 CYS 39 HB3 CYS 39 5.771 28.762 -12.453 265 H LYS 40 H LYS 40 4.292 27.984 -10.198 266 HA LYS 40 HA LYS 40 1.760 28.937 -11.264 267 HB2 LYS 40 HB2 LYS 40 2.015 26.827 -9.186 268 HB3 LYS 40 HB3 LYS 40 0.793 28.064 -8.921 269 HG2 LYS 40 HG2 LYS 40 -0.391 27.472 -10.849 270 HG3 LYS 40 HG3 LYS 40 0.967 26.559 -11.508 271 HD2 LYS 40 HD2 LYS 40 -0.248 24.807 -10.730 272 HD3 LYS 40 HD3 LYS 40 0.603 25.198 -9.234 273 HE2 LYS 40 HE2 LYS 40 -1.407 26.776 -8.799 274 HE3 LYS 40 HE3 LYS 40 -2.223 25.799 -10.019 275 HZ1 LYS 40 HZ1 LYS 40 -1.549 25.147 -7.296 276 HZ2 LYS 40 HZ2 LYS 40 -2.737 24.488 -8.304 277 HZ3 LYS 40 HZ3 LYS 40 -1.141 23.934 -8.402 278 H TRP 41 H TRP 41 1.613 31.003 -10.727 279 HA TRP 41 HA TRP 41 3.246 32.103 -8.619 280 HB2 TRP 41 HB2 TRP 41 2.622 33.149 -10.942 281 HB3 TRP 41 HB3 TRP 41 1.175 33.689 -10.095 282 HD1 TRP 41 HD1 TRP 41 4.842 33.667 -8.824 283 HE1 TRP 41 HE1 TRP 41 5.441 36.063 -8.099 284 HE3 TRP 41 HE3 TRP 41 0.507 36.025 -10.158 285 HZ2 TRP 41 HZ2 TRP 41 4.234 38.616 -8.092 286 HZ3 TRP 41 HZ3 TRP 41 0.309 38.444 -9.757 287 HH2 TRP 41 HH2 TRP 41 2.134 39.711 -8.746 288 H PHE 42 H PHE 42 2.373 31.205 -6.732 289 HA PHE 42 HA PHE 42 -0.413 31.718 -6.090 290 HB2 PHE 42 HB2 PHE 42 0.629 29.558 -5.480 291 HB3 PHE 42 HB3 PHE 42 1.750 30.413 -4.425 292 HD1 PHE 42 HD1 PHE 42 -1.853 29.730 -4.975 293 HD2 PHE 42 HD2 PHE 42 1.174 30.898 -2.220 294 HE1 PHE 42 HE1 PHE 42 -3.473 29.565 -3.130 295 HE2 PHE 42 HE2 PHE 42 -0.440 30.734 -0.370 296 HZ PHE 42 HZ PHE 42 -2.768 30.068 -0.826 297 H THR 43 H THR 43 2.785 32.837 -5.173 298 HA THR 43 HA THR 43 1.515 35.017 -3.657 299 HB THR 43 HB THR 43 2.523 33.386 -2.087 300 HG1 THR 43 HG1 THR 43 3.122 35.030 -0.874 301 HG21 THR 43 HG21 THR 43 4.683 33.500 -3.971 302 HG22 THR 43 HG22 THR 43 5.266 33.970 -2.373 303 HG23 THR 43 HG23 THR 43 4.463 32.415 -2.598 304 H SER 44 H SER 44 3.214 36.814 -3.240 305 HA SER 44 HA SER 44 4.310 37.519 -5.836 306 HB2 SER 44 HB2 SER 44 2.942 39.107 -4.395 307 HB3 SER 44 HB3 SER 44 4.343 39.206 -3.329 308 HG SER 44 HG SER 44 4.164 39.978 -6.050 309 H SER 45 H SER 45 5.553 35.457 -4.062 310 HA SER 45 HA SER 45 8.165 36.719 -3.583 311 HB2 SER 45 HB2 SER 45 7.354 33.975 -2.635 312 HB3 SER 45 HB3 SER 45 8.638 35.014 -2.016 313 HG SER 45 HG SER 45 6.963 35.207 -0.603 314 H GLY 46 H GLY 46 6.846 35.558 -6.132 315 HA2 GLY 46 HA2 GLY 46 8.254 34.978 -8.015 316 HA3 GLY 46 HA3 GLY 46 9.217 33.993 -6.924 317 H ASN 47 H ASN 47 8.090 33.133 -9.399 318 HA ASN 47 HA ASN 47 5.709 31.651 -8.994 319 HB2 ASN 47 HB2 ASN 47 7.852 31.012 -11.021 320 HB3 ASN 47 HB3 ASN 47 6.124 30.683 -11.132 321 HD21 ASN 47 HD21 ASN 47 8.466 32.576 -12.304 322 HD22 ASN 47 HD22 ASN 47 7.556 33.987 -12.709 323 H ALA 48 H ALA 48 5.410 29.836 -7.897 324 HA ALA 48 HA ALA 48 7.697 28.360 -6.889 325 HB1 ALA 48 HB1 ALA 48 6.222 28.504 -5.170 326 HB2 ALA 48 HB2 ALA 48 4.814 28.519 -6.232 327 HB3 ALA 48 HB3 ALA 48 5.639 26.999 -5.882 328 H CYS 49 H CYS 49 7.678 25.965 -6.948 329 HA CYS 49 HA CYS 49 6.918 25.049 -9.630 330 HB2 CYS 49 HB2 CYS 49 9.266 24.800 -9.190 331 HB3 CYS 49 HB3 CYS 49 8.948 24.014 -7.646 332 H TRP 50 H TRP 50 5.214 23.772 -9.842 333 HA TRP 50 HA TRP 50 4.159 22.402 -7.477 334 HB2 TRP 50 HB2 TRP 50 2.494 23.722 -8.531 335 HB3 TRP 50 HB3 TRP 50 2.943 23.146 -10.134 336 HD1 TRP 50 HD1 TRP 50 2.129 20.655 -10.811 337 HE1 TRP 50 HE1 TRP 50 0.164 19.231 -9.951 338 HE3 TRP 50 HE3 TRP 50 1.125 23.187 -6.484 339 HZ2 TRP 50 HZ2 TRP 50 -1.581 19.188 -7.733 340 HZ3 TRP 50 HZ3 TRP 50 -0.708 22.389 -5.050 341 HH2 TRP 50 HH2 TRP 50 -2.033 20.432 -5.663 342 H CYS 51 H CYS 51 3.941 20.219 -7.345 343 HA CYS 51 HA CYS 51 4.934 18.639 -9.627 344 HB2 CYS 51 HB2 CYS 51 5.505 18.384 -6.686 345 HB3 CYS 51 HB3 CYS 51 5.642 16.989 -7.752 346 H VAL 52 H VAL 52 3.754 16.913 -10.252 347 HA VAL 52 HA VAL 52 1.180 16.519 -8.923 348 HB VAL 52 HB VAL 52 1.106 16.904 -11.326 349 HG11 VAL 52 HG11 VAL 52 3.090 16.174 -12.243 350 HG12 VAL 52 HG12 VAL 52 3.051 14.640 -11.374 351 HG13 VAL 52 HG13 VAL 52 1.980 14.901 -12.751 352 HG21 VAL 52 HG21 VAL 52 -0.556 15.412 -11.693 353 HG22 VAL 52 HG22 VAL 52 0.436 14.029 -11.228 354 HG23 VAL 52 HG23 VAL 52 -0.296 15.046 -9.988 355 H LYS 53 H LYS 53 0.430 14.499 -8.264 356 HA LYS 53 HA LYS 53 0.744 12.591 -7.015 357 HB2 LYS 53 HB2 LYS 53 1.376 10.687 -8.397 358 HB3 LYS 53 HB3 LYS 53 0.330 11.774 -9.301 359 HG2 LYS 53 HG2 LYS 53 2.055 12.502 -10.670 360 HG3 LYS 53 HG3 LYS 53 3.305 11.979 -9.538 361 HD2 LYS 53 HD2 LYS 53 1.845 9.676 -10.215 362 HD3 LYS 53 HD3 LYS 53 2.115 10.548 -11.725 363 HE2 LYS 53 HE2 LYS 53 4.560 10.761 -10.676 364 HE3 LYS 53 HE3 LYS 53 4.056 9.267 -9.887 365 HZ1 LYS 53 HZ1 LYS 53 4.614 8.232 -11.750 366 HZ2 LYS 53 HZ2 LYS 53 3.321 8.998 -12.527 367 HZ3 LYS 53 HZ3 LYS 53 4.867 9.687 -12.575 368 H LEU 54 H LEU 54 2.704 14.421 -6.334 369 HA LEU 54 HA LEU 54 5.322 13.298 -6.482 370 HB2 LEU 54 HB2 LEU 54 4.531 15.749 -6.032 371 HB3 LEU 54 HB3 LEU 54 4.503 15.222 -4.351 372 HG LEU 54 HG LEU 54 6.901 14.648 -4.528 373 HD11 LEU 54 HD11 LEU 54 7.613 16.155 -6.810 374 HD12 LEU 54 HD12 LEU 54 7.862 14.434 -6.511 375 HD13 LEU 54 HD13 LEU 54 6.389 14.987 -7.307 376 HD21 LEU 54 HD21 LEU 54 5.788 17.358 -4.810 377 HD22 LEU 54 HD22 LEU 54 6.843 16.684 -3.569 378 HD23 LEU 54 HD23 LEU 54 7.520 17.210 -5.110 379 HA PRO 55 HA PRO 55 4.934 10.284 -3.273 380 HB2 PRO 55 HB2 PRO 55 7.582 9.801 -2.920 381 HB3 PRO 55 HB3 PRO 55 6.672 9.195 -4.309 382 HG2 PRO 55 HG2 PRO 55 8.460 11.588 -4.113 383 HG3 PRO 55 HG3 PRO 55 8.346 10.380 -5.405 384 HD2 PRO 55 HD2 PRO 55 7.180 12.818 -5.583 385 HD3 PRO 55 HD3 PRO 55 6.484 11.370 -6.338 386 H LYS 56 H LYS 56 5.045 10.189 -1.063 387 HA LYS 56 HA LYS 56 5.322 12.557 0.396 388 HB2 LYS 56 HB2 LYS 56 5.562 9.761 1.512 389 HB3 LYS 56 HB3 LYS 56 5.054 11.208 2.372 390 HG2 LYS 56 HG2 LYS 56 3.067 11.330 0.899 391 HG3 LYS 56 HG3 LYS 56 3.562 9.802 0.167 392 HD2 LYS 56 HD2 LYS 56 1.948 9.261 1.814 393 HD3 LYS 56 HD3 LYS 56 3.514 8.816 2.494 394 HE2 LYS 56 HE2 LYS 56 3.547 10.992 3.691 395 HE3 LYS 56 HE3 LYS 56 1.920 11.306 3.091 396 HZ1 LYS 56 HZ1 LYS 56 1.906 10.405 5.342 397 HZ2 LYS 56 HZ2 LYS 56 1.134 9.357 4.260 398 HZ3 LYS 56 HZ3 LYS 56 2.697 9.009 4.806 399 H SER 57 H SER 57 7.638 10.078 -0.419 400 HA SER 57 HA SER 57 9.618 10.489 1.457 401 HB2 SER 57 HB2 SER 57 9.945 9.906 -1.496 402 HB3 SER 57 HB3 SER 57 11.212 9.716 -0.285 403 HG SER 57 HG SER 57 10.384 7.855 0.183 404 H GLU 58 H GLU 58 8.814 12.414 -1.369 405 HA GLU 58 HA GLU 58 11.121 14.112 -1.141 406 HB2 GLU 58 HB2 GLU 58 8.576 14.383 -2.747 407 HB3 GLU 58 HB3 GLU 58 9.933 15.496 -2.853 408 HG2 GLU 58 HG2 GLU 58 10.081 12.551 -3.454 409 HG3 GLU 58 HG3 GLU 58 9.888 13.821 -4.662 410 HA PRO 59 HA PRO 59 9.670 17.067 1.761 411 HB2 PRO 59 HB2 PRO 59 10.787 19.348 0.800 412 HB3 PRO 59 HB3 PRO 59 11.728 18.074 1.585 413 HG2 PRO 59 HG2 PRO 59 11.354 18.626 -1.334 414 HG3 PRO 59 HG3 PRO 59 12.834 18.194 -0.457 415 HD2 PRO 59 HD2 PRO 59 11.409 16.391 -1.888 416 HD3 PRO 59 HD3 PRO 59 12.308 15.950 -0.422 417 H ILE 60 H ILE 60 8.343 18.978 2.037 418 HA ILE 60 HA ILE 60 6.918 19.965 -0.298 419 HB ILE 60 HB ILE 60 4.698 19.556 0.812 420 HG12 ILE 60 HG12 ILE 60 6.321 17.613 2.469 421 HG13 ILE 60 HG13 ILE 60 5.574 19.089 3.072 422 HG21 ILE 60 HG21 ILE 60 4.531 17.235 0.036 423 HG22 ILE 60 HG22 ILE 60 5.433 18.243 -1.096 424 HG23 ILE 60 HG23 ILE 60 6.290 17.136 -0.024 425 HD11 ILE 60 HD11 ILE 60 3.560 17.589 1.783 426 HD12 ILE 60 HD12 ILE 60 4.457 16.494 2.835 427 HD13 ILE 60 HD13 ILE 60 3.731 17.957 3.500 428 H LYS 61 H LYS 61 5.453 21.770 0.249 429 HA LYS 61 HA LYS 61 6.733 23.616 1.978 430 HB2 LYS 61 HB2 LYS 61 5.442 24.214 -0.085 431 HB3 LYS 61 HB3 LYS 61 3.963 23.824 0.783 432 HG2 LYS 61 HG2 LYS 61 4.388 26.225 0.749 433 HG3 LYS 61 HG3 LYS 61 4.415 25.583 2.393 434 HD2 LYS 61 HD2 LYS 61 6.827 25.601 2.407 435 HD3 LYS 61 HD3 LYS 61 6.869 26.088 0.711 436 HE2 LYS 61 HE2 LYS 61 7.269 27.950 2.315 437 HE3 LYS 61 HE3 LYS 61 5.904 28.215 1.232 438 HZ1 LYS 61 HZ1 LYS 61 5.749 28.603 3.834 439 HZ2 LYS 61 HZ2 LYS 61 4.422 28.091 2.917 440 HZ3 LYS 61 HZ3 LYS 61 5.324 26.965 3.801 441 H VAL 62 H VAL 62 6.384 24.117 4.054 442 HA VAL 62 HA VAL 62 4.086 22.852 5.403 443 HB VAL 62 HB VAL 62 5.557 23.045 7.491 444 HG11 VAL 62 HG11 VAL 62 5.474 21.079 5.387 445 HG12 VAL 62 HG12 VAL 62 7.024 21.034 6.226 446 HG13 VAL 62 HG13 VAL 62 5.524 20.850 7.135 447 HG21 VAL 62 HG21 VAL 62 7.916 22.873 5.706 448 HG22 VAL 62 HG22 VAL 62 7.220 24.472 5.970 449 HG23 VAL 62 HG23 VAL 62 7.776 23.515 7.343 450 HA PRO 63 HA PRO 63 2.707 26.790 6.768 451 HB2 PRO 63 HB2 PRO 63 1.709 26.193 9.221 452 HB3 PRO 63 HB3 PRO 63 0.918 25.706 7.718 453 HG2 PRO 63 HG2 PRO 63 2.681 24.107 9.532 454 HG3 PRO 63 HG3 PRO 63 1.173 23.629 8.731 455 HD2 PRO 63 HD2 PRO 63 3.611 22.924 7.787 456 HD3 PRO 63 HD3 PRO 63 2.223 23.222 6.721 457 H GLY 64 H GLY 64 3.881 28.473 7.427 458 HA2 GLY 64 HA2 GLY 64 4.758 29.132 9.880 459 HA3 GLY 64 HA3 GLY 64 6.054 28.093 9.309 460 H LYS 65 H LYS 65 7.695 29.101 8.379 461 HA LYS 65 HA LYS 65 7.297 31.257 6.524 462 HB2 LYS 65 HB2 LYS 65 8.193 31.775 9.308 463 HB3 LYS 65 HB3 LYS 65 9.051 32.621 8.028 464 HG2 LYS 65 HG2 LYS 65 6.690 33.278 7.204 465 HG3 LYS 65 HG3 LYS 65 6.181 32.828 8.834 466 HD2 LYS 65 HD2 LYS 65 8.283 34.371 9.448 467 HD3 LYS 65 HD3 LYS 65 7.823 35.114 7.914 468 HE2 LYS 65 HE2 LYS 65 5.525 35.376 8.761 469 HE3 LYS 65 HE3 LYS 65 6.030 34.686 10.303 470 HZ1 LYS 65 HZ1 LYS 65 7.818 36.669 9.934 471 HZ2 LYS 65 HZ2 LYS 65 6.421 37.345 9.261 472 HZ3 LYS 65 HZ3 LYS 65 6.410 36.800 10.864 473 H CYS 66 H CYS 66 9.074 31.606 5.211 474 HA CYS 66 HA CYS 66 11.010 29.491 5.160 475 HB2 CYS 66 HB2 CYS 66 10.174 30.318 3.059 476 HB3 CYS 66 HB3 CYS 66 10.654 31.963 3.458 477 H HIS 67 H HIS 67 13.161 29.555 5.632 478 HA HIS 67 HA HIS 67 14.059 31.420 7.551 479 HB2 HIS 67 HB2 HIS 67 15.360 29.218 5.990 480 HB3 HIS 67 HB3 HIS 67 16.357 30.319 6.937 481 HD1 HIS 67 HD1 HIS 67 17.050 28.628 8.697 482 HD2 HIS 67 HD2 HIS 67 12.930 28.970 8.292 483 HE1 HIS 67 HE1 HIS 67 16.077 27.362 10.639 Start of MODEL 12 1 H1 GLY 1 H GLY 1 0.810 -1.446 -3.144 2 HA2 GLY 1 HA2 GLY 1 2.077 -0.623 -0.812 3 HA3 GLY 1 HA3 GLY 1 2.904 -1.003 -2.316 4 H GLU 2 H GLU 2 2.715 0.820 -4.008 5 HA GLU 2 HA GLU 2 4.031 3.076 -3.013 6 HB2 GLU 2 HB2 GLU 2 3.524 4.072 -5.274 7 HB3 GLU 2 HB3 GLU 2 4.334 2.513 -5.302 8 HG2 GLU 2 HG2 GLU 2 2.374 1.387 -5.947 9 HG3 GLU 2 HG3 GLU 2 1.357 2.773 -5.558 10 H GLU 3 H GLU 3 3.369 5.268 -2.853 11 HA GLU 3 HA GLU 3 0.555 5.914 -2.935 12 HB2 GLU 3 HB2 GLU 3 0.583 6.736 -0.542 13 HB3 GLU 3 HB3 GLU 3 0.546 4.991 -0.750 14 HG2 GLU 3 HG2 GLU 3 3.031 4.993 -0.430 15 HG3 GLU 3 HG3 GLU 3 2.902 6.695 0.008 16 H VAL 4 H VAL 4 0.375 7.909 -3.697 17 HA VAL 4 HA VAL 4 2.366 9.926 -2.958 18 HB VAL 4 HB VAL 4 2.371 10.741 -5.346 19 HG11 VAL 4 HG11 VAL 4 3.919 8.796 -4.074 20 HG12 VAL 4 HG12 VAL 4 3.635 8.177 -5.700 21 HG13 VAL 4 HG13 VAL 4 4.365 9.766 -5.477 22 HG21 VAL 4 HG21 VAL 4 0.451 9.605 -6.216 23 HG22 VAL 4 HG22 VAL 4 1.873 9.006 -7.070 24 HG23 VAL 4 HG23 VAL 4 1.131 8.032 -5.801 25 H ARG 5 H ARG 5 1.660 12.146 -3.661 26 HA ARG 5 HA ARG 5 -1.189 12.486 -4.080 27 HB2 ARG 5 HB2 ARG 5 -1.718 13.537 -2.080 28 HB3 ARG 5 HB3 ARG 5 -0.658 12.238 -1.547 29 HG2 ARG 5 HG2 ARG 5 0.126 15.116 -1.956 30 HG3 ARG 5 HG3 ARG 5 -0.122 14.307 -0.408 31 HD2 ARG 5 HD2 ARG 5 1.676 12.643 -1.479 32 HD3 ARG 5 HD3 ARG 5 2.136 14.126 -2.313 33 HE ARG 5 HE ARG 5 1.839 14.405 0.541 34 HH11 ARG 5 HH11 ARG 5 4.003 13.636 -2.076 35 HH12 ARG 5 HH12 ARG 5 5.434 14.020 -1.178 36 HH21 ARG 5 HH21 ARG 5 3.716 14.915 1.733 37 HH22 ARG 5 HH22 ARG 5 5.270 14.747 0.988 38 H ASP 6 H ASP 6 -1.774 14.767 -4.415 39 HA ASP 6 HA ASP 6 0.378 16.150 -5.808 40 HB2 ASP 6 HB2 ASP 6 -1.543 17.657 -6.552 41 HB3 ASP 6 HB3 ASP 6 -1.591 15.987 -7.109 42 H ALA 7 H ALA 7 1.525 17.657 -4.814 43 HA ALA 7 HA ALA 7 0.223 19.633 -3.141 44 HB1 ALA 7 HB1 ALA 7 2.485 18.862 -1.630 45 HB2 ALA 7 HB2 ALA 7 0.783 18.778 -1.174 46 HB3 ALA 7 HB3 ALA 7 1.553 17.404 -1.968 47 H TYR 8 H TYR 8 1.838 21.317 -2.405 48 HA TYR 8 HA TYR 8 3.465 22.047 -4.671 49 HB2 TYR 8 HB2 TYR 8 2.465 23.389 -2.224 50 HB3 TYR 8 HB3 TYR 8 3.977 23.999 -2.886 51 HD1 TYR 8 HD1 TYR 8 0.391 23.881 -3.252 52 HD2 TYR 8 HD2 TYR 8 4.023 24.835 -5.253 53 HE1 TYR 8 HE1 TYR 8 -0.873 25.190 -4.909 54 HE2 TYR 8 HE2 TYR 8 2.770 26.147 -6.914 55 HH TYR 8 HH TYR 8 -0.454 27.054 -6.488 56 H ILE 9 H ILE 9 5.435 21.231 -4.898 57 HA ILE 9 HA ILE 9 6.949 20.091 -2.799 58 HB ILE 9 HB ILE 9 7.160 19.538 -5.252 59 HG12 ILE 9 HG12 ILE 9 9.700 20.229 -3.760 60 HG13 ILE 9 HG13 ILE 9 8.772 18.744 -3.575 61 HG21 ILE 9 HG21 ILE 9 7.654 22.249 -5.496 62 HG22 ILE 9 HG22 ILE 9 9.235 21.503 -5.732 63 HG23 ILE 9 HG23 ILE 9 7.875 21.025 -6.747 64 HD11 ILE 9 HD11 ILE 9 9.417 19.131 -6.331 65 HD12 ILE 9 HD12 ILE 9 10.877 19.256 -5.350 66 HD13 ILE 9 HD13 ILE 9 9.868 17.813 -5.250 67 H ALA 10 H ALA 10 8.867 20.803 -1.819 68 HA ALA 10 HA ALA 10 9.670 23.578 -2.191 69 HB1 ALA 10 HB1 ALA 10 8.319 22.537 0.241 70 HB2 ALA 10 HB2 ALA 10 9.640 23.688 0.451 71 HB3 ALA 10 HB3 ALA 10 8.229 24.130 -0.512 72 H GLN 11 H GLN 11 11.807 23.898 -1.850 73 HA GLN 11 HA GLN 11 13.603 21.812 -1.817 74 HB2 GLN 11 HB2 GLN 11 15.261 23.583 -0.977 75 HB3 GLN 11 HB3 GLN 11 14.446 23.885 -2.506 76 HG2 GLN 11 HG2 GLN 11 12.943 25.428 -1.479 77 HG3 GLN 11 HG3 GLN 11 13.535 25.012 0.129 78 HE21 GLN 11 HE21 GLN 11 14.084 26.831 -2.741 79 HE22 GLN 11 HE22 GLN 11 15.453 27.720 -2.176 80 HA PRO 12 HA PRO 12 13.976 20.334 2.296 81 HB2 PRO 12 HB2 PRO 12 16.636 19.822 2.469 82 HB3 PRO 12 HB3 PRO 12 15.530 18.838 1.505 83 HG2 PRO 12 HG2 PRO 12 17.378 21.021 0.624 84 HG3 PRO 12 HG3 PRO 12 17.059 19.452 -0.136 85 HD2 PRO 12 HD2 PRO 12 15.932 21.751 -1.015 86 HD3 PRO 12 HD3 PRO 12 15.107 20.182 -1.120 87 H HIS 13 H HIS 13 15.464 23.232 1.343 88 HA HIS 13 HA HIS 13 16.490 23.826 4.013 89 HB2 HIS 13 HB2 HIS 13 17.441 24.472 1.529 90 HB3 HIS 13 HB3 HIS 13 16.594 25.949 1.977 91 HD1 HIS 13 HD1 HIS 13 18.602 27.402 2.434 92 HD2 HIS 13 HD2 HIS 13 18.687 23.822 4.542 93 HE1 HIS 13 HE1 HIS 13 20.511 27.622 4.057 94 H ASN 14 H ASN 14 13.649 23.525 3.624 95 HA ASN 14 HA ASN 14 11.661 24.558 4.056 96 HB2 ASN 14 HB2 ASN 14 13.011 24.897 6.190 97 HB3 ASN 14 HB3 ASN 14 13.308 26.539 5.627 98 HD21 ASN 14 HD21 ASN 14 10.449 24.441 5.575 99 HD22 ASN 14 HD22 ASN 14 9.411 25.551 6.396 100 H CYS 15 H CYS 15 11.658 25.209 1.747 101 HA CYS 15 HA CYS 15 10.879 27.907 1.474 102 HB2 CYS 15 HB2 CYS 15 13.672 27.440 1.161 103 HB3 CYS 15 HB3 CYS 15 13.003 27.807 -0.427 104 H VAL 16 H VAL 16 10.337 28.451 -0.814 105 HA VAL 16 HA VAL 16 9.242 26.090 -2.111 106 HB VAL 16 HB VAL 16 8.066 27.718 -3.573 107 HG11 VAL 16 HG11 VAL 16 7.477 26.991 -1.034 108 HG12 VAL 16 HG12 VAL 16 7.445 28.748 -0.890 109 HG13 VAL 16 HG13 VAL 16 6.409 27.940 -2.067 110 HG21 VAL 16 HG21 VAL 16 10.019 29.497 -2.516 111 HG22 VAL 16 HG22 VAL 16 8.803 29.804 -3.757 112 HG23 VAL 16 HG23 VAL 16 8.420 30.085 -2.059 113 H TYR 17 H TYR 17 10.056 25.173 -3.880 114 HA TYR 17 HA TYR 17 12.552 25.795 -4.921 115 HB2 TYR 17 HB2 TYR 17 10.287 24.073 -5.772 116 HB3 TYR 17 HB3 TYR 17 11.492 24.459 -6.995 117 HD1 TYR 17 HD1 TYR 17 13.989 24.087 -6.257 118 HD2 TYR 17 HD2 TYR 17 10.636 22.246 -4.395 119 HE1 TYR 17 HE1 TYR 17 15.456 22.320 -5.375 120 HE2 TYR 17 HE2 TYR 17 12.093 20.475 -3.506 121 HH TYR 17 HH TYR 17 15.595 20.509 -4.100 122 H HIS 18 H HIS 18 13.044 27.714 -5.780 123 HA HIS 18 HA HIS 18 11.171 29.259 -7.304 124 HB2 HIS 18 HB2 HIS 18 13.137 30.081 -5.810 125 HB3 HIS 18 HB3 HIS 18 14.123 29.801 -7.242 126 HD1 HIS 18 HD1 HIS 18 13.999 31.516 -9.096 127 HD2 HIS 18 HD2 HIS 18 11.180 32.148 -6.110 128 HE1 HIS 18 HE1 HIS 18 13.001 33.773 -9.580 129 H CYS 19 H CYS 19 10.607 28.565 -9.270 130 HA CYS 19 HA CYS 19 12.701 27.511 -11.046 131 HB2 CYS 19 HB2 CYS 19 10.916 26.459 -12.316 132 HB3 CYS 19 HB3 CYS 19 10.771 26.019 -10.617 133 H PHE 20 H PHE 20 13.141 28.457 -12.974 134 HA PHE 20 HA PHE 20 12.316 31.163 -13.355 135 HB2 PHE 20 HB2 PHE 20 14.550 29.904 -14.023 136 HB3 PHE 20 HB3 PHE 20 13.678 29.635 -15.528 137 HD1 PHE 20 HD1 PHE 20 13.727 31.247 -17.180 138 HD2 PHE 20 HD2 PHE 20 14.642 32.349 -13.171 139 HE1 PHE 20 HE1 PHE 20 14.354 33.500 -17.946 140 HE2 PHE 20 HE2 PHE 20 15.269 34.603 -13.930 141 HZ PHE 20 HZ PHE 20 15.125 35.181 -16.320 142 H ARG 21 H ARG 21 11.544 28.082 -14.882 143 HA ARG 21 HA ARG 21 9.118 29.228 -15.977 144 HB2 ARG 21 HB2 ARG 21 9.562 28.471 -18.268 145 HB3 ARG 21 HB3 ARG 21 10.726 29.686 -17.757 146 HG2 ARG 21 HG2 ARG 21 12.406 28.007 -17.402 147 HG3 ARG 21 HG3 ARG 21 11.242 26.721 -17.729 148 HD2 ARG 21 HD2 ARG 21 12.611 27.069 -19.681 149 HD3 ARG 21 HD3 ARG 21 10.966 27.607 -20.020 150 HE ARG 21 HE ARG 21 11.759 29.735 -20.298 151 HH11 ARG 21 HH11 ARG 21 14.167 27.828 -18.660 152 HH12 ARG 21 HH12 ARG 21 15.389 29.053 -18.752 153 HH21 ARG 21 HH21 ARG 21 13.359 31.356 -20.425 154 HH22 ARG 21 HH22 ARG 21 14.927 31.060 -19.755 155 H ASP 22 H ASP 22 7.683 27.568 -16.888 156 HA ASP 22 HA ASP 22 7.336 25.396 -15.221 157 HB2 ASP 22 HB2 ASP 22 5.609 24.707 -16.646 158 HB3 ASP 22 HB3 ASP 22 5.713 26.441 -16.938 159 H SER 23 H SER 23 9.151 25.612 -18.225 160 HA SER 23 HA SER 23 9.581 22.920 -18.743 161 HB2 SER 23 HB2 SER 23 11.742 24.978 -19.141 162 HB3 SER 23 HB3 SER 23 11.343 23.588 -20.152 163 HG SER 23 HG SER 23 9.678 24.662 -21.007 164 H TYR 24 H TYR 24 11.050 25.012 -16.365 165 HA TYR 24 HA TYR 24 13.188 23.221 -15.706 166 HB2 TYR 24 HB2 TYR 24 13.416 25.618 -15.310 167 HB3 TYR 24 HB3 TYR 24 12.054 25.586 -14.197 168 HD1 TYR 24 HD1 TYR 24 12.294 24.679 -11.958 169 HD2 TYR 24 HD2 TYR 24 15.584 24.726 -14.656 170 HE1 TYR 24 HE1 TYR 24 13.825 24.217 -10.090 171 HE2 TYR 24 HE2 TYR 24 17.124 24.263 -12.795 172 HH TYR 24 HH TYR 24 17.130 23.374 -10.588 173 H CYS 25 H CYS 25 10.259 24.241 -13.939 174 HA CYS 25 HA CYS 25 10.470 22.422 -11.840 175 HB2 CYS 25 HB2 CYS 25 8.929 24.264 -11.691 176 HB3 CYS 25 HB3 CYS 25 8.032 23.694 -13.094 177 H ASN 26 H ASN 26 9.119 22.046 -15.058 178 HA ASN 26 HA ASN 26 7.701 19.681 -14.738 179 HB2 ASN 26 HB2 ASN 26 7.443 20.751 -16.810 180 HB3 ASN 26 HB3 ASN 26 9.182 20.868 -17.070 181 HD21 ASN 26 HD21 ASN 26 7.166 18.115 -16.138 182 HD22 ASN 26 HD22 ASN 26 7.589 17.125 -17.488 183 H ASP 27 H ASP 27 11.073 20.021 -15.853 184 HA ASP 27 HA ASP 27 11.590 17.220 -15.669 185 HB2 ASP 27 HB2 ASP 27 12.913 19.513 -16.711 186 HB3 ASP 27 HB3 ASP 27 14.022 18.718 -15.598 187 H LEU 28 H LEU 28 12.137 19.992 -13.577 188 HA LEU 28 HA LEU 28 13.874 18.853 -11.724 189 HB2 LEU 28 HB2 LEU 28 13.576 21.132 -11.489 190 HB3 LEU 28 HB3 LEU 28 11.821 21.016 -11.592 191 HG LEU 28 HG LEU 28 11.718 20.153 -9.326 192 HD11 LEU 28 HD11 LEU 28 13.468 19.061 -8.509 193 HD12 LEU 28 HD12 LEU 28 14.530 19.702 -9.763 194 HD13 LEU 28 HD13 LEU 28 14.259 20.622 -8.283 195 HD21 LEU 28 HD21 LEU 28 13.527 22.462 -8.958 196 HD22 LEU 28 HD22 LEU 28 12.132 22.708 -10.009 197 HD23 LEU 28 HD23 LEU 28 11.899 22.183 -8.341 198 H CYS 29 H CYS 29 10.396 18.564 -12.064 199 HA CYS 29 HA CYS 29 9.958 17.295 -9.546 200 HB2 CYS 29 HB2 CYS 29 8.343 17.744 -12.020 201 HB3 CYS 29 HB3 CYS 29 7.792 16.539 -10.861 202 H ILE 30 H ILE 30 10.644 16.176 -12.804 203 HA ILE 30 HA ILE 30 10.050 13.462 -12.481 204 HB ILE 30 HB ILE 30 12.224 14.663 -14.200 205 HG12 ILE 30 HG12 ILE 30 9.386 13.969 -14.973 206 HG13 ILE 30 HG13 ILE 30 9.902 15.593 -14.531 207 HG21 ILE 30 HG21 ILE 30 12.540 12.299 -14.001 208 HG22 ILE 30 HG22 ILE 30 10.827 11.996 -14.290 209 HG23 ILE 30 HG23 ILE 30 11.841 12.627 -15.587 210 HD11 ILE 30 HD11 ILE 30 10.515 14.005 -16.965 211 HD12 ILE 30 HD12 ILE 30 10.032 15.693 -16.806 212 HD13 ILE 30 HD13 ILE 30 11.680 15.205 -16.408 213 H LYS 31 H LYS 31 13.132 15.182 -12.031 214 HA LYS 31 HA LYS 31 14.743 13.046 -11.342 215 HB2 LYS 31 HB2 LYS 31 15.286 15.580 -11.625 216 HB3 LYS 31 HB3 LYS 31 14.983 15.664 -9.895 217 HG2 LYS 31 HG2 LYS 31 17.169 15.223 -9.726 218 HG3 LYS 31 HG3 LYS 31 16.674 13.553 -10.013 219 HD2 LYS 31 HD2 LYS 31 16.996 13.986 -12.468 220 HD3 LYS 31 HD3 LYS 31 17.714 15.537 -12.029 221 HE2 LYS 31 HE2 LYS 31 19.524 14.056 -12.314 222 HE3 LYS 31 HE3 LYS 31 19.317 14.219 -10.572 223 HZ1 LYS 31 HZ1 LYS 31 19.623 11.934 -11.036 224 HZ2 LYS 31 HZ2 LYS 31 17.982 12.128 -10.673 225 HZ3 LYS 31 HZ3 LYS 31 18.477 11.947 -12.280 226 H HIS 32 H HIS 32 12.427 14.806 -9.370 227 HA HIS 32 HA HIS 32 13.188 13.559 -6.909 228 HB2 HIS 32 HB2 HIS 32 10.793 15.188 -7.747 229 HB3 HIS 32 HB3 HIS 32 10.945 14.504 -6.131 230 HD1 HIS 32 HD1 HIS 32 11.442 16.458 -4.685 231 HD2 HIS 32 HD2 HIS 32 13.722 16.470 -8.157 232 HE1 HIS 32 HE1 HIS 32 13.038 18.385 -4.435 233 H GLY 33 H GLY 33 10.957 12.833 -9.490 234 HA2 GLY 33 HA2 GLY 33 10.440 10.430 -9.739 235 HA3 GLY 33 HA3 GLY 33 10.135 10.410 -8.008 236 H ALA 34 H ALA 34 9.104 12.999 -10.136 237 HA ALA 34 HA ALA 34 6.313 12.223 -9.602 238 HB1 ALA 34 HB1 ALA 34 7.613 14.624 -9.091 239 HB2 ALA 34 HB2 ALA 34 6.639 14.942 -10.526 240 HB3 ALA 34 HB3 ALA 34 5.874 14.334 -9.058 241 H GLU 35 H GLU 35 4.734 12.718 -11.283 242 HA GLU 35 HA GLU 35 5.506 11.703 -13.794 243 HB2 GLU 35 HB2 GLU 35 3.152 11.887 -12.572 244 HB3 GLU 35 HB3 GLU 35 3.028 13.341 -13.553 245 HG2 GLU 35 HG2 GLU 35 1.989 11.489 -14.685 246 HG3 GLU 35 HG3 GLU 35 3.426 12.004 -15.567 247 H SER 36 H SER 36 4.742 15.000 -12.724 248 HA SER 36 HA SER 36 6.510 16.131 -14.672 249 HB2 SER 36 HB2 SER 36 4.650 17.552 -15.712 250 HB3 SER 36 HB3 SER 36 4.738 15.867 -16.223 251 HG SER 36 HG SER 36 2.622 16.274 -15.739 252 H GLY 37 H GLY 37 5.882 18.700 -14.726 253 HA2 GLY 37 HA2 GLY 37 4.988 19.659 -12.149 254 HA3 GLY 37 HA3 GLY 37 6.718 19.822 -12.414 255 H GLU 38 H GLU 38 4.434 21.792 -12.157 256 HA GLU 38 HA GLU 38 5.192 23.403 -14.488 257 HB2 GLU 38 HB2 GLU 38 2.933 24.128 -14.871 258 HB3 GLU 38 HB3 GLU 38 2.957 22.372 -14.893 259 HG2 GLU 38 HG2 GLU 38 2.272 22.535 -12.424 260 HG3 GLU 38 HG3 GLU 38 1.864 24.208 -12.800 261 H CYS 39 H CYS 39 4.990 25.689 -14.176 262 HA CYS 39 HA CYS 39 5.536 26.464 -11.443 263 HB2 CYS 39 HB2 CYS 39 5.671 27.861 -14.101 264 HB3 CYS 39 HB3 CYS 39 5.786 28.774 -12.601 265 H LYS 40 H LYS 40 4.378 27.961 -10.229 266 HA LYS 40 HA LYS 40 1.850 28.967 -11.256 267 HB2 LYS 40 HB2 LYS 40 2.095 26.820 -9.215 268 HB3 LYS 40 HB3 LYS 40 0.894 28.069 -8.919 269 HG2 LYS 40 HG2 LYS 40 -0.307 27.531 -10.858 270 HG3 LYS 40 HG3 LYS 40 1.027 26.589 -11.525 271 HD2 LYS 40 HD2 LYS 40 -0.218 24.859 -10.753 272 HD3 LYS 40 HD3 LYS 40 0.630 25.231 -9.249 273 HE2 LYS 40 HE2 LYS 40 -1.337 26.823 -8.786 274 HE3 LYS 40 HE3 LYS 40 -2.171 25.936 -10.061 275 HZ1 LYS 40 HZ1 LYS 40 -2.746 24.922 -8.025 276 HZ2 LYS 40 HZ2 LYS 40 -1.642 23.875 -8.766 277 HZ3 LYS 40 HZ3 LYS 40 -1.141 24.872 -7.494 278 H TRP 41 H TRP 41 1.708 31.021 -10.670 279 HA TRP 41 HA TRP 41 3.392 32.076 -8.579 280 HB2 TRP 41 HB2 TRP 41 2.746 33.178 -10.854 281 HB3 TRP 41 HB3 TRP 41 1.287 33.674 -10.002 282 HD1 TRP 41 HD1 TRP 41 5.028 33.748 -8.931 283 HE1 TRP 41 HE1 TRP 41 5.548 36.117 -8.070 284 HE3 TRP 41 HE3 TRP 41 0.467 35.919 -9.721 285 HZ2 TRP 41 HZ2 TRP 41 4.203 38.579 -7.764 286 HZ3 TRP 41 HZ3 TRP 41 0.167 38.286 -9.116 287 HH2 TRP 41 HH2 TRP 41 1.997 39.587 -8.157 288 H PHE 42 H PHE 42 2.626 31.279 -6.641 289 HA PHE 42 HA PHE 42 -0.166 31.650 -5.935 290 HB2 PHE 42 HB2 PHE 42 0.875 29.586 -5.223 291 HB3 PHE 42 HB3 PHE 42 2.165 30.469 -4.414 292 HD1 PHE 42 HD1 PHE 42 -1.570 30.543 -4.399 293 HD2 PHE 42 HD2 PHE 42 2.032 30.430 -2.134 294 HE1 PHE 42 HE1 PHE 42 -2.883 30.544 -2.318 295 HE2 PHE 42 HE2 PHE 42 0.725 30.429 -0.050 296 HZ PHE 42 HZ PHE 42 -1.735 30.486 -0.140 297 H THR 43 H THR 43 2.981 32.998 -5.147 298 HA THR 43 HA THR 43 1.621 35.213 -3.780 299 HB THR 43 HB THR 43 4.259 34.514 -2.666 300 HG1 THR 43 HG1 THR 43 3.633 32.690 -1.667 301 HG21 THR 43 HG21 THR 43 2.398 34.745 -0.633 302 HG22 THR 43 HG22 THR 43 3.420 36.040 -1.259 303 HG23 THR 43 HG23 THR 43 1.784 35.828 -1.883 304 H SER 44 H SER 44 3.441 36.967 -3.285 305 HA SER 44 HA SER 44 4.562 37.612 -5.887 306 HB2 SER 44 HB2 SER 44 4.312 39.201 -3.326 307 HB3 SER 44 HB3 SER 44 5.077 39.821 -4.788 308 HG SER 44 HG SER 44 2.993 40.468 -4.921 309 H SER 45 H SER 45 5.721 35.503 -4.126 310 HA SER 45 HA SER 45 8.380 36.657 -3.636 311 HB2 SER 45 HB2 SER 45 7.117 34.107 -2.604 312 HB3 SER 45 HB3 SER 45 8.783 34.590 -2.287 313 HG SER 45 HG SER 45 6.728 35.230 -0.867 314 H GLY 46 H GLY 46 7.006 35.544 -6.187 315 HA2 GLY 46 HA2 GLY 46 8.373 34.918 -8.081 316 HA3 GLY 46 HA3 GLY 46 9.328 33.917 -6.997 317 H ASN 47 H ASN 47 8.161 33.067 -9.453 318 HA ASN 47 HA ASN 47 5.751 31.639 -9.017 319 HB2 ASN 47 HB2 ASN 47 7.899 31.074 -11.071 320 HB3 ASN 47 HB3 ASN 47 6.218 30.554 -11.139 321 HD21 ASN 47 HD21 ASN 47 4.587 32.282 -11.193 322 HD22 ASN 47 HD22 ASN 47 4.959 33.729 -12.062 323 H ALA 48 H ALA 48 5.425 29.838 -7.904 324 HA ALA 48 HA ALA 48 7.683 28.328 -6.893 325 HB1 ALA 48 HB1 ALA 48 4.987 28.813 -6.064 326 HB2 ALA 48 HB2 ALA 48 5.281 27.076 -6.135 327 HB3 ALA 48 HB3 ALA 48 6.323 28.106 -5.154 328 H CYS 49 H CYS 49 7.644 25.935 -6.955 329 HA CYS 49 HA CYS 49 6.888 25.024 -9.641 330 HB2 CYS 49 HB2 CYS 49 9.232 24.758 -9.199 331 HB3 CYS 49 HB3 CYS 49 8.909 23.982 -7.652 332 H TRP 50 H TRP 50 5.173 23.764 -9.854 333 HA TRP 50 HA TRP 50 4.082 22.424 -7.493 334 HB2 TRP 50 HB2 TRP 50 2.423 23.694 -8.597 335 HB3 TRP 50 HB3 TRP 50 2.935 23.134 -10.186 336 HD1 TRP 50 HD1 TRP 50 2.154 20.660 -10.926 337 HE1 TRP 50 HE1 TRP 50 0.192 19.194 -10.132 338 HE3 TRP 50 HE3 TRP 50 1.031 23.092 -6.571 339 HZ2 TRP 50 HZ2 TRP 50 -1.594 19.082 -7.949 340 HZ3 TRP 50 HZ3 TRP 50 -0.818 22.242 -5.188 341 HH2 TRP 50 HH2 TRP 50 -2.102 20.279 -5.865 342 H CYS 51 H CYS 51 3.780 20.236 -7.351 343 HA CYS 51 HA CYS 51 4.847 18.606 -9.562 344 HB2 CYS 51 HB2 CYS 51 5.370 18.401 -6.606 345 HB3 CYS 51 HB3 CYS 51 5.555 17.003 -7.660 346 H VAL 52 H VAL 52 3.718 16.805 -10.113 347 HA VAL 52 HA VAL 52 1.121 16.450 -8.801 348 HB VAL 52 HB VAL 52 0.988 16.796 -11.187 349 HG11 VAL 52 HG11 VAL 52 2.990 16.192 -12.142 350 HG12 VAL 52 HG12 VAL 52 3.074 14.667 -11.263 351 HG13 VAL 52 HG13 VAL 52 1.968 14.839 -12.625 352 HG21 VAL 52 HG21 VAL 52 -0.302 14.861 -9.858 353 HG22 VAL 52 HG22 VAL 52 -0.580 15.204 -11.565 354 HG23 VAL 52 HG23 VAL 52 0.489 13.883 -11.095 355 H LYS 53 H LYS 53 0.394 14.451 -8.084 356 HA LYS 53 HA LYS 53 0.727 12.561 -6.814 357 HB2 LYS 53 HB2 LYS 53 1.345 10.634 -8.175 358 HB3 LYS 53 HB3 LYS 53 0.273 11.702 -9.072 359 HG2 LYS 53 HG2 LYS 53 1.971 12.431 -10.482 360 HG3 LYS 53 HG3 LYS 53 3.243 11.904 -9.377 361 HD2 LYS 53 HD2 LYS 53 1.645 9.649 -10.099 362 HD3 LYS 53 HD3 LYS 53 2.134 10.500 -11.567 363 HE2 LYS 53 HE2 LYS 53 4.475 10.528 -10.340 364 HE3 LYS 53 HE3 LYS 53 3.794 9.127 -9.513 365 HZ1 LYS 53 HZ1 LYS 53 3.457 9.110 -12.382 366 HZ2 LYS 53 HZ2 LYS 53 5.070 9.032 -11.873 367 HZ3 LYS 53 HZ3 LYS 53 3.957 7.872 -11.342 368 H LEU 54 H LEU 54 2.685 14.385 -6.163 369 HA LEU 54 HA LEU 54 5.311 13.296 -6.356 370 HB2 LEU 54 HB2 LEU 54 4.463 15.728 -5.838 371 HB3 LEU 54 HB3 LEU 54 4.529 15.165 -4.169 372 HG LEU 54 HG LEU 54 6.918 14.686 -4.429 373 HD11 LEU 54 HD11 LEU 54 7.830 14.452 -6.432 374 HD12 LEU 54 HD12 LEU 54 6.305 14.907 -7.192 375 HD13 LEU 54 HD13 LEU 54 7.493 16.146 -6.789 376 HD21 LEU 54 HD21 LEU 54 6.839 17.446 -5.414 377 HD22 LEU 54 HD22 LEU 54 5.742 17.114 -4.075 378 HD23 LEU 54 HD23 LEU 54 7.467 16.795 -3.899 379 HA PRO 55 HA PRO 55 5.005 10.228 -3.188 380 HB2 PRO 55 HB2 PRO 55 7.663 9.762 -2.891 381 HB3 PRO 55 HB3 PRO 55 6.733 9.170 -4.272 382 HG2 PRO 55 HG2 PRO 55 8.504 11.575 -4.074 383 HG3 PRO 55 HG3 PRO 55 8.375 10.385 -5.383 384 HD2 PRO 55 HD2 PRO 55 7.185 12.815 -5.501 385 HD3 PRO 55 HD3 PRO 55 6.487 11.372 -6.264 386 H LYS 56 H LYS 56 5.148 10.108 -0.982 387 HA LYS 56 HA LYS 56 5.426 12.450 0.510 388 HB2 LYS 56 HB2 LYS 56 5.182 9.557 1.136 389 HB3 LYS 56 HB3 LYS 56 5.775 10.600 2.422 390 HG2 LYS 56 HG2 LYS 56 3.699 12.058 1.792 391 HG3 LYS 56 HG3 LYS 56 3.106 10.545 1.102 392 HD2 LYS 56 HD2 LYS 56 4.181 10.665 3.901 393 HD3 LYS 56 HD3 LYS 56 2.506 11.095 3.545 394 HE2 LYS 56 HE2 LYS 56 3.658 8.510 2.568 395 HE3 LYS 56 HE3 LYS 56 3.081 8.660 4.227 396 HZ1 LYS 56 HZ1 LYS 56 1.079 9.731 2.708 397 HZ2 LYS 56 HZ2 LYS 56 1.588 8.393 1.808 398 HZ3 LYS 56 HZ3 LYS 56 1.084 8.191 3.410 399 H SER 57 H SER 57 7.765 10.010 -0.373 400 HA SER 57 HA SER 57 9.780 10.454 1.461 401 HB2 SER 57 HB2 SER 57 11.329 9.619 -0.228 402 HB3 SER 57 HB3 SER 57 9.829 8.694 -0.287 403 HG SER 57 HG SER 57 10.861 10.545 -2.112 404 H GLU 58 H GLU 58 8.881 12.364 -1.346 405 HA GLU 58 HA GLU 58 11.167 14.102 -1.157 406 HB2 GLU 58 HB2 GLU 58 8.599 14.331 -2.735 407 HB3 GLU 58 HB3 GLU 58 9.948 15.451 -2.869 408 HG2 GLU 58 HG2 GLU 58 10.147 12.500 -3.418 409 HG3 GLU 58 HG3 GLU 58 9.851 13.723 -4.653 410 HA PRO 59 HA PRO 59 9.689 17.038 1.750 411 HB2 PRO 59 HB2 PRO 59 10.764 19.333 0.774 412 HB3 PRO 59 HB3 PRO 59 11.729 18.076 1.557 413 HG2 PRO 59 HG2 PRO 59 11.328 18.614 -1.359 414 HG3 PRO 59 HG3 PRO 59 12.820 18.208 -0.492 415 HD2 PRO 59 HD2 PRO 59 11.414 16.378 -1.909 416 HD3 PRO 59 HD3 PRO 59 12.330 15.956 -0.447 417 H ILE 60 H ILE 60 8.306 18.891 2.041 418 HA ILE 60 HA ILE 60 6.871 19.884 -0.285 419 HB ILE 60 HB ILE 60 4.656 19.406 0.811 420 HG12 ILE 60 HG12 ILE 60 6.325 17.468 2.429 421 HG13 ILE 60 HG13 ILE 60 5.528 18.904 3.062 422 HG21 ILE 60 HG21 ILE 60 5.581 18.141 -1.123 423 HG22 ILE 60 HG22 ILE 60 6.214 16.953 0.017 424 HG23 ILE 60 HG23 ILE 60 4.474 17.204 -0.119 425 HD11 ILE 60 HD11 ILE 60 3.669 17.761 3.390 426 HD12 ILE 60 HD12 ILE 60 3.615 17.293 1.689 427 HD13 ILE 60 HD13 ILE 60 4.503 16.303 2.849 428 H LYS 61 H LYS 61 5.769 21.823 0.079 429 HA LYS 61 HA LYS 61 6.866 23.584 1.921 430 HB2 LYS 61 HB2 LYS 61 5.714 24.346 -0.083 431 HB3 LYS 61 HB3 LYS 61 4.186 23.725 0.528 432 HG2 LYS 61 HG2 LYS 61 4.320 26.135 0.787 433 HG3 LYS 61 HG3 LYS 61 4.254 25.335 2.358 434 HD2 LYS 61 HD2 LYS 61 6.565 25.690 2.738 435 HD3 LYS 61 HD3 LYS 61 6.841 26.156 1.058 436 HE2 LYS 61 HE2 LYS 61 6.818 28.077 2.624 437 HE3 LYS 61 HE3 LYS 61 5.591 28.188 1.363 438 HZ1 LYS 61 HZ1 LYS 61 4.850 26.966 3.920 439 HZ2 LYS 61 HZ2 LYS 61 5.010 28.649 3.857 440 HZ3 LYS 61 HZ3 LYS 61 3.906 27.865 2.842 441 H VAL 62 H VAL 62 6.463 24.103 3.989 442 HA VAL 62 HA VAL 62 4.168 22.795 5.299 443 HB VAL 62 HB VAL 62 5.588 23.057 7.416 444 HG11 VAL 62 HG11 VAL 62 7.071 21.028 6.590 445 HG12 VAL 62 HG12 VAL 62 5.331 20.866 6.829 446 HG13 VAL 62 HG13 VAL 62 5.980 21.109 5.207 447 HG21 VAL 62 HG21 VAL 62 7.910 23.342 7.230 448 HG22 VAL 62 HG22 VAL 62 7.885 23.119 5.481 449 HG23 VAL 62 HG23 VAL 62 7.224 24.591 6.192 450 HA PRO 63 HA PRO 63 2.636 26.701 6.590 451 HB2 PRO 63 HB2 PRO 63 1.606 26.098 9.029 452 HB3 PRO 63 HB3 PRO 63 0.862 25.571 7.515 453 HG2 PRO 63 HG2 PRO 63 2.637 24.049 9.384 454 HG3 PRO 63 HG3 PRO 63 1.162 23.514 8.557 455 HD2 PRO 63 HD2 PRO 63 3.640 22.877 7.672 456 HD3 PRO 63 HD3 PRO 63 2.266 23.118 6.573 457 H GLY 64 H GLY 64 3.749 28.425 7.249 458 HA2 GLY 64 HA2 GLY 64 4.548 29.147 9.709 459 HA3 GLY 64 HA3 GLY 64 5.885 28.133 9.191 460 H LYS 65 H LYS 65 7.525 29.175 8.300 461 HA LYS 65 HA LYS 65 7.112 31.300 6.404 462 HB2 LYS 65 HB2 LYS 65 7.934 31.855 9.198 463 HB3 LYS 65 HB3 LYS 65 8.840 32.684 7.939 464 HG2 LYS 65 HG2 LYS 65 6.438 33.260 7.043 465 HG3 LYS 65 HG3 LYS 65 5.986 32.963 8.723 466 HD2 LYS 65 HD2 LYS 65 6.451 35.217 8.776 467 HD3 LYS 65 HD3 LYS 65 8.015 34.538 9.232 468 HE2 LYS 65 HE2 LYS 65 8.773 34.738 6.915 469 HE3 LYS 65 HE3 LYS 65 7.208 35.406 6.457 470 HZ1 LYS 65 HZ1 LYS 65 9.276 36.919 7.072 471 HZ2 LYS 65 HZ2 LYS 65 7.682 37.397 7.382 472 HZ3 LYS 65 HZ3 LYS 65 8.625 36.742 8.625 473 H CYS 66 H CYS 66 8.942 31.742 5.160 474 HA CYS 66 HA CYS 66 10.926 29.644 5.176 475 HB2 CYS 66 HB2 CYS 66 10.032 30.354 3.041 476 HB3 CYS 66 HB3 CYS 66 10.512 32.019 3.351 477 H HIS 67 H HIS 67 13.096 29.841 5.580 478 HA HIS 67 HA HIS 67 13.875 32.044 7.275 479 HB2 HIS 67 HB2 HIS 67 15.369 29.584 6.348 480 HB3 HIS 67 HB3 HIS 67 16.021 30.770 7.475 481 HD1 HIS 67 HD1 HIS 67 15.898 28.065 8.599 482 HD2 HIS 67 HD2 HIS 67 12.597 30.585 8.689 483 HE1 HIS 67 HE1 HIS 67 14.441 27.199 10.457 Start of MODEL 13 1 H1 GLY 1 H GLY 1 2.984 -1.675 -2.556 2 HA2 GLY 1 HA2 GLY 1 1.513 -0.370 -1.359 3 HA3 GLY 1 HA3 GLY 1 2.747 -0.219 -0.118 4 H GLU 2 H GLU 2 2.911 0.752 -3.520 5 HA GLU 2 HA GLU 2 4.103 3.232 -2.956 6 HB2 GLU 2 HB2 GLU 2 3.663 3.773 -5.312 7 HB3 GLU 2 HB3 GLU 2 4.327 2.155 -5.131 8 HG2 GLU 2 HG2 GLU 2 1.849 1.405 -5.156 9 HG3 GLU 2 HG3 GLU 2 1.560 2.988 -5.877 10 H GLU 3 H GLU 3 3.301 5.324 -2.920 11 HA GLU 3 HA GLU 3 0.505 5.873 -3.270 12 HB2 GLU 3 HB2 GLU 3 0.179 6.708 -0.931 13 HB3 GLU 3 HB3 GLU 3 0.318 4.960 -1.066 14 HG2 GLU 3 HG2 GLU 3 2.741 5.213 -0.455 15 HG3 GLU 3 HG3 GLU 3 2.391 6.900 -0.085 16 H VAL 4 H VAL 4 0.314 7.881 -4.015 17 HA VAL 4 HA VAL 4 2.249 9.919 -3.169 18 HB VAL 4 HB VAL 4 2.314 10.756 -5.549 19 HG11 VAL 4 HG11 VAL 4 4.338 9.854 -5.417 20 HG12 VAL 4 HG12 VAL 4 3.753 8.612 -4.310 21 HG13 VAL 4 HG13 VAL 4 3.674 8.348 -6.053 22 HG21 VAL 4 HG21 VAL 4 1.105 8.043 -6.062 23 HG22 VAL 4 HG22 VAL 4 0.428 9.615 -6.483 24 HG23 VAL 4 HG23 VAL 4 1.877 9.032 -7.301 25 H ARG 5 H ARG 5 1.545 12.139 -3.865 26 HA ARG 5 HA ARG 5 -1.294 12.463 -4.361 27 HB2 ARG 5 HB2 ARG 5 -1.884 13.492 -2.365 28 HB3 ARG 5 HB3 ARG 5 -0.834 12.192 -1.818 29 HG2 ARG 5 HG2 ARG 5 -0.048 15.076 -2.176 30 HG3 ARG 5 HG3 ARG 5 -0.344 14.253 -0.643 31 HD2 ARG 5 HD2 ARG 5 1.490 12.601 -1.641 32 HD3 ARG 5 HD3 ARG 5 1.967 14.071 -2.491 33 HE ARG 5 HE ARG 5 1.604 14.398 0.351 34 HH11 ARG 5 HH11 ARG 5 3.828 13.595 -2.204 35 HH12 ARG 5 HH12 ARG 5 5.237 14.001 -1.282 36 HH21 ARG 5 HH21 ARG 5 3.451 14.937 1.574 37 HH22 ARG 5 HH22 ARG 5 5.022 14.764 0.867 38 H ASP 6 H ASP 6 -1.887 14.741 -4.692 39 HA ASP 6 HA ASP 6 0.283 16.150 -6.024 40 HB2 ASP 6 HB2 ASP 6 -1.624 17.665 -6.778 41 HB3 ASP 6 HB3 ASP 6 -1.672 16.000 -7.349 42 H ALA 7 H ALA 7 1.419 17.641 -4.992 43 HA ALA 7 HA ALA 7 0.096 19.597 -3.314 44 HB1 ALA 7 HB1 ALA 7 2.161 19.010 -1.641 45 HB2 ALA 7 HB2 ALA 7 0.501 18.452 -1.429 46 HB3 ALA 7 HB3 ALA 7 1.691 17.405 -2.204 47 H TYR 8 H TYR 8 1.645 21.306 -2.586 48 HA TYR 8 HA TYR 8 3.341 22.032 -4.798 49 HB2 TYR 8 HB2 TYR 8 2.284 23.375 -2.370 50 HB3 TYR 8 HB3 TYR 8 3.793 23.999 -3.027 51 HD1 TYR 8 HD1 TYR 8 0.204 23.725 -3.493 52 HD2 TYR 8 HD2 TYR 8 3.853 24.923 -5.324 53 HE1 TYR 8 HE1 TYR 8 -1.063 25.002 -5.170 54 HE2 TYR 8 HE2 TYR 8 2.595 26.205 -7.004 55 HH TYR 8 HH TYR 8 -0.590 27.025 -6.686 56 H ILE 9 H ILE 9 5.315 21.208 -4.964 57 HA ILE 9 HA ILE 9 6.779 20.096 -2.819 58 HB ILE 9 HB ILE 9 7.053 19.526 -5.264 59 HG12 ILE 9 HG12 ILE 9 9.546 20.218 -3.695 60 HG13 ILE 9 HG13 ILE 9 8.616 18.732 -3.548 61 HG21 ILE 9 HG21 ILE 9 7.549 22.230 -5.519 62 HG22 ILE 9 HG22 ILE 9 9.143 21.495 -5.687 63 HG23 ILE 9 HG23 ILE 9 7.825 20.998 -6.749 64 HD11 ILE 9 HD11 ILE 9 9.796 17.813 -5.168 65 HD12 ILE 9 HD12 ILE 9 9.333 19.103 -6.278 66 HD13 ILE 9 HD13 ILE 9 10.769 19.280 -5.270 67 H ALA 10 H ALA 10 8.670 20.823 -1.796 68 HA ALA 10 HA ALA 10 9.491 23.588 -2.180 69 HB1 ALA 10 HB1 ALA 10 9.352 23.694 0.484 70 HB2 ALA 10 HB2 ALA 10 8.037 24.225 -0.563 71 HB3 ALA 10 HB3 ALA 10 7.985 22.624 0.176 72 H GLN 11 H GLN 11 11.616 23.891 -1.788 73 HA GLN 11 HA GLN 11 13.392 21.798 -1.623 74 HB2 GLN 11 HB2 GLN 11 15.034 23.576 -0.773 75 HB3 GLN 11 HB3 GLN 11 14.274 23.849 -2.335 76 HG2 GLN 11 HG2 GLN 11 12.716 25.402 -1.358 77 HG3 GLN 11 HG3 GLN 11 13.336 25.057 0.257 78 HE21 GLN 11 HE21 GLN 11 13.970 26.612 -2.790 79 HE22 GLN 11 HE22 GLN 11 15.282 27.596 -2.245 80 HA PRO 12 HA PRO 12 13.600 20.426 2.537 81 HB2 PRO 12 HB2 PRO 12 16.250 19.907 2.825 82 HB3 PRO 12 HB3 PRO 12 15.174 18.902 1.846 83 HG2 PRO 12 HG2 PRO 12 17.068 21.053 0.981 84 HG3 PRO 12 HG3 PRO 12 16.769 19.465 0.250 85 HD2 PRO 12 HD2 PRO 12 15.691 21.746 -0.732 86 HD3 PRO 12 HD3 PRO 12 14.861 20.179 -0.827 87 H HIS 13 H HIS 13 15.107 23.301 1.571 88 HA HIS 13 HA HIS 13 16.063 23.957 4.253 89 HB2 HIS 13 HB2 HIS 13 16.415 25.175 1.539 90 HB3 HIS 13 HB3 HIS 13 16.677 26.165 2.972 91 HD1 HIS 13 HD1 HIS 13 18.768 24.871 0.744 92 HD2 HIS 13 HD2 HIS 13 18.320 23.959 4.772 93 HE1 HIS 13 HE1 HIS 13 20.961 23.867 1.454 94 H ASN 14 H ASN 14 13.230 23.631 3.788 95 HA ASN 14 HA ASN 14 11.225 24.662 4.136 96 HB2 ASN 14 HB2 ASN 14 12.503 25.021 6.311 97 HB3 ASN 14 HB3 ASN 14 12.813 26.661 5.748 98 HD21 ASN 14 HD21 ASN 14 9.966 24.550 5.616 99 HD22 ASN 14 HD22 ASN 14 8.895 25.661 6.395 100 H CYS 15 H CYS 15 11.282 25.299 1.829 101 HA CYS 15 HA CYS 15 10.527 28.003 1.516 102 HB2 CYS 15 HB2 CYS 15 13.300 27.598 1.360 103 HB3 CYS 15 HB3 CYS 15 12.757 27.751 -0.309 104 H VAL 16 H VAL 16 9.908 28.512 -0.713 105 HA VAL 16 HA VAL 16 8.846 26.161 -2.024 106 HB VAL 16 HB VAL 16 7.676 27.735 -3.491 107 HG11 VAL 16 HG11 VAL 16 7.442 27.642 -0.614 108 HG12 VAL 16 HG12 VAL 16 6.839 29.168 -1.258 109 HG13 VAL 16 HG13 VAL 16 6.181 27.641 -1.846 110 HG21 VAL 16 HG21 VAL 16 9.279 29.816 -2.013 111 HG22 VAL 16 HG22 VAL 16 9.300 29.471 -3.742 112 HG23 VAL 16 HG23 VAL 16 7.865 30.182 -3.003 113 H TYR 17 H TYR 17 9.601 25.229 -3.822 114 HA TYR 17 HA TYR 17 12.155 25.783 -4.816 115 HB2 TYR 17 HB2 TYR 17 9.907 24.021 -5.590 116 HB3 TYR 17 HB3 TYR 17 11.065 24.392 -6.862 117 HD1 TYR 17 HD1 TYR 17 13.577 24.040 -6.253 118 HD2 TYR 17 HD2 TYR 17 10.341 22.274 -4.127 119 HE1 TYR 17 HE1 TYR 17 15.100 22.322 -5.372 120 HE2 TYR 17 HE2 TYR 17 11.857 20.552 -3.240 121 HH TYR 17 HH TYR 17 15.114 20.789 -3.244 122 H HIS 18 H HIS 18 12.661 27.672 -5.732 123 HA HIS 18 HA HIS 18 10.795 29.121 -7.382 124 HB2 HIS 18 HB2 HIS 18 12.270 30.395 -5.958 125 HB3 HIS 18 HB3 HIS 18 13.689 29.631 -6.668 126 HD1 HIS 18 HD1 HIS 18 11.102 32.248 -7.338 127 HD2 HIS 18 HD2 HIS 18 14.508 30.677 -9.125 128 HE1 HIS 18 HE1 HIS 18 11.674 33.833 -9.206 129 H CYS 19 H CYS 19 10.412 28.479 -9.395 130 HA CYS 19 HA CYS 19 12.628 27.361 -10.974 131 HB2 CYS 19 HB2 CYS 19 10.857 26.427 -12.436 132 HB3 CYS 19 HB3 CYS 19 10.730 25.859 -10.773 133 H PHE 20 H PHE 20 13.281 28.301 -12.834 134 HA PHE 20 HA PHE 20 12.585 31.013 -13.315 135 HB2 PHE 20 HB2 PHE 20 14.397 29.012 -14.572 136 HB3 PHE 20 HB3 PHE 20 13.941 30.415 -15.535 137 HD1 PHE 20 HD1 PHE 20 15.701 31.887 -15.603 138 HD2 PHE 20 HD2 PHE 20 14.734 29.995 -11.915 139 HE1 PHE 20 HE1 PHE 20 17.425 33.226 -14.469 140 HE2 PHE 20 HE2 PHE 20 16.456 31.332 -10.774 141 HZ PHE 20 HZ PHE 20 17.806 32.949 -12.052 142 H ARG 21 H ARG 21 11.718 27.959 -14.837 143 HA ARG 21 HA ARG 21 9.434 29.225 -16.089 144 HB2 ARG 21 HB2 ARG 21 9.937 28.569 -18.335 145 HB3 ARG 21 HB3 ARG 21 11.311 29.484 -17.727 146 HG2 ARG 21 HG2 ARG 21 12.528 27.416 -17.323 147 HG3 ARG 21 HG3 ARG 21 11.145 26.483 -17.897 148 HD2 ARG 21 HD2 ARG 21 11.489 27.062 -20.088 149 HD3 ARG 21 HD3 ARG 21 12.270 28.586 -19.673 150 HE ARG 21 HE ARG 21 13.543 26.077 -20.102 151 HH11 ARG 21 HH11 ARG 21 13.738 29.024 -18.258 152 HH12 ARG 21 HH12 ARG 21 15.453 28.926 -18.039 153 HH21 ARG 21 HH21 ARG 21 15.802 25.936 -19.819 154 HH22 ARG 21 HH22 ARG 21 16.627 27.170 -18.928 155 H ASP 22 H ASP 22 8.029 27.581 -17.186 156 HA ASP 22 HA ASP 22 7.372 25.509 -15.477 157 HB2 ASP 22 HB2 ASP 22 6.001 26.540 -17.393 158 HB3 ASP 22 HB3 ASP 22 6.820 25.380 -18.436 159 H SER 23 H SER 23 9.303 25.376 -18.453 160 HA SER 23 HA SER 23 9.712 22.656 -18.640 161 HB2 SER 23 HB2 SER 23 10.483 24.211 -20.356 162 HB3 SER 23 HB3 SER 23 11.681 24.876 -19.246 163 HG SER 23 HG SER 23 12.948 23.360 -19.930 164 H TYR 24 H TYR 24 11.226 24.971 -16.489 165 HA TYR 24 HA TYR 24 13.316 23.294 -15.571 166 HB2 TYR 24 HB2 TYR 24 13.080 25.839 -15.313 167 HB3 TYR 24 HB3 TYR 24 12.042 25.482 -13.939 168 HD1 TYR 24 HD1 TYR 24 12.956 24.811 -11.850 169 HD2 TYR 24 HD2 TYR 24 15.473 25.131 -15.266 170 HE1 TYR 24 HE1 TYR 24 14.936 24.600 -10.405 171 HE2 TYR 24 HE2 TYR 24 17.459 24.920 -13.830 172 HH TYR 24 HH TYR 24 17.169 24.751 -10.308 173 H CYS 25 H CYS 25 10.267 24.239 -13.972 174 HA CYS 25 HA CYS 25 10.476 22.451 -11.831 175 HB2 CYS 25 HB2 CYS 25 8.920 24.277 -11.712 176 HB3 CYS 25 HB3 CYS 25 8.054 23.703 -13.133 177 H ASN 26 H ASN 26 9.174 22.048 -15.067 178 HA ASN 26 HA ASN 26 7.772 19.672 -14.754 179 HB2 ASN 26 HB2 ASN 26 7.718 20.984 -16.822 180 HB3 ASN 26 HB3 ASN 26 9.403 20.583 -17.137 181 HD21 ASN 26 HD21 ASN 26 9.928 18.341 -17.511 182 HD22 ASN 26 HD22 ASN 26 8.750 17.301 -18.230 183 H ASP 27 H ASP 27 11.151 20.027 -15.851 184 HA ASP 27 HA ASP 27 11.689 17.235 -15.635 185 HB2 ASP 27 HB2 ASP 27 13.002 19.526 -16.686 186 HB3 ASP 27 HB3 ASP 27 14.107 18.759 -15.548 187 H LEU 28 H LEU 28 12.174 20.020 -13.550 188 HA LEU 28 HA LEU 28 13.907 18.908 -11.673 189 HB2 LEU 28 HB2 LEU 28 13.590 21.186 -11.458 190 HB3 LEU 28 HB3 LEU 28 11.837 21.056 -11.578 191 HG LEU 28 HG LEU 28 11.725 20.199 -9.305 192 HD11 LEU 28 HD11 LEU 28 13.493 19.131 -8.487 193 HD12 LEU 28 HD12 LEU 28 14.560 19.820 -9.711 194 HD13 LEU 28 HD13 LEU 28 14.230 20.712 -8.225 195 HD21 LEU 28 HD21 LEU 28 12.104 22.756 -10.006 196 HD22 LEU 28 HD22 LEU 28 11.855 22.240 -8.339 197 HD23 LEU 28 HD23 LEU 28 13.487 22.541 -8.933 198 H CYS 29 H CYS 29 10.434 18.592 -12.049 199 HA CYS 29 HA CYS 29 9.980 17.335 -9.528 200 HB2 CYS 29 HB2 CYS 29 8.382 17.728 -12.029 201 HB3 CYS 29 HB3 CYS 29 7.824 16.568 -10.827 202 H ILE 30 H ILE 30 10.703 16.202 -12.774 203 HA ILE 30 HA ILE 30 10.122 13.489 -12.445 204 HB ILE 30 HB ILE 30 12.313 14.694 -14.138 205 HG12 ILE 30 HG12 ILE 30 9.492 13.974 -14.948 206 HG13 ILE 30 HG13 ILE 30 9.989 15.605 -14.509 207 HG21 ILE 30 HG21 ILE 30 12.842 12.547 -14.477 208 HG22 ILE 30 HG22 ILE 30 11.339 11.970 -13.757 209 HG23 ILE 30 HG23 ILE 30 11.369 12.481 -15.445 210 HD11 ILE 30 HD11 ILE 30 10.798 13.976 -16.883 211 HD12 ILE 30 HD12 ILE 30 10.057 15.575 -16.833 212 HD13 ILE 30 HD13 ILE 30 11.741 15.368 -16.350 213 H LYS 31 H LYS 31 13.160 15.250 -11.902 214 HA LYS 31 HA LYS 31 14.780 13.114 -11.196 215 HB2 LYS 31 HB2 LYS 31 15.301 15.663 -11.478 216 HB3 LYS 31 HB3 LYS 31 14.997 15.729 -9.747 217 HG2 LYS 31 HG2 LYS 31 17.152 15.235 -9.509 218 HG3 LYS 31 HG3 LYS 31 16.709 13.594 -9.984 219 HD2 LYS 31 HD2 LYS 31 17.194 15.530 -12.170 220 HD3 LYS 31 HD3 LYS 31 18.601 15.020 -11.235 221 HE2 LYS 31 HE2 LYS 31 16.632 13.118 -12.495 222 HE3 LYS 31 HE3 LYS 31 18.131 13.635 -13.265 223 HZ1 LYS 31 HZ1 LYS 31 18.628 11.614 -12.233 224 HZ2 LYS 31 HZ2 LYS 31 19.261 12.780 -11.184 225 HZ3 LYS 31 HZ3 LYS 31 17.799 12.013 -10.814 226 H HIS 32 H HIS 32 12.419 14.873 -9.278 227 HA HIS 32 HA HIS 32 13.144 13.652 -6.795 228 HB2 HIS 32 HB2 HIS 32 10.752 15.253 -7.690 229 HB3 HIS 32 HB3 HIS 32 10.878 14.583 -6.067 230 HD1 HIS 32 HD1 HIS 32 11.420 16.474 -4.571 231 HD2 HIS 32 HD2 HIS 32 13.589 16.635 -8.110 232 HE1 HIS 32 HE1 HIS 32 12.971 18.436 -4.319 233 H GLY 33 H GLY 33 10.967 12.885 -9.410 234 HA2 GLY 33 HA2 GLY 33 10.479 10.473 -9.645 235 HA3 GLY 33 HA3 GLY 33 10.134 10.471 -7.921 236 H ALA 34 H ALA 34 9.135 13.009 -10.130 237 HA ALA 34 HA ALA 34 6.337 12.234 -9.627 238 HB1 ALA 34 HB1 ALA 34 6.683 14.929 -10.626 239 HB2 ALA 34 HB2 ALA 34 5.871 14.360 -9.166 240 HB3 ALA 34 HB3 ALA 34 7.611 14.652 -9.152 241 H GLU 35 H GLU 35 4.790 12.821 -11.368 242 HA GLU 35 HA GLU 35 5.637 11.708 -13.844 243 HB2 GLU 35 HB2 GLU 35 3.381 11.332 -13.163 244 HB3 GLU 35 HB3 GLU 35 3.081 13.055 -12.980 245 HG2 GLU 35 HG2 GLU 35 2.856 13.400 -15.232 246 HG3 GLU 35 HG3 GLU 35 3.857 12.011 -15.656 247 H SER 36 H SER 36 4.818 14.990 -12.794 248 HA SER 36 HA SER 36 6.533 16.138 -14.782 249 HB2 SER 36 HB2 SER 36 4.670 17.522 -15.816 250 HB3 SER 36 HB3 SER 36 4.693 15.817 -16.269 251 HG SER 36 HG SER 36 2.834 17.237 -14.809 252 H GLY 37 H GLY 37 5.908 18.696 -14.820 253 HA2 GLY 37 HA2 GLY 37 5.027 19.670 -12.250 254 HA3 GLY 37 HA3 GLY 37 6.762 19.806 -12.499 255 H GLU 38 H GLU 38 4.544 21.829 -12.247 256 HA GLU 38 HA GLU 38 5.354 23.432 -14.559 257 HB2 GLU 38 HB2 GLU 38 3.147 24.117 -15.093 258 HB3 GLU 38 HB3 GLU 38 3.098 22.365 -14.974 259 HG2 GLU 38 HG2 GLU 38 2.371 22.820 -12.521 260 HG3 GLU 38 HG3 GLU 38 1.958 24.419 -13.137 261 H CYS 39 H CYS 39 5.183 25.710 -14.238 262 HA CYS 39 HA CYS 39 5.621 26.470 -11.485 263 HB2 CYS 39 HB2 CYS 39 5.774 27.979 -14.094 264 HB3 CYS 39 HB3 CYS 39 6.025 28.752 -12.532 265 H LYS 40 H LYS 40 4.420 27.943 -10.295 266 HA LYS 40 HA LYS 40 1.941 28.983 -11.409 267 HB2 LYS 40 HB2 LYS 40 2.097 26.801 -9.404 268 HB3 LYS 40 HB3 LYS 40 0.910 28.064 -9.102 269 HG2 LYS 40 HG2 LYS 40 -0.361 27.498 -10.914 270 HG3 LYS 40 HG3 LYS 40 1.011 26.838 -11.808 271 HD2 LYS 40 HD2 LYS 40 1.061 24.950 -10.164 272 HD3 LYS 40 HD3 LYS 40 -0.444 25.576 -9.488 273 HE2 LYS 40 HE2 LYS 40 -1.485 25.353 -11.724 274 HE3 LYS 40 HE3 LYS 40 0.007 24.621 -12.313 275 HZ1 LYS 40 HZ1 LYS 40 -1.520 22.896 -11.756 276 HZ2 LYS 40 HZ2 LYS 40 -0.288 22.884 -10.595 277 HZ3 LYS 40 HZ3 LYS 40 -1.799 23.545 -10.219 278 H TRP 41 H TRP 41 1.813 31.036 -10.821 279 HA TRP 41 HA TRP 41 3.411 32.053 -8.645 280 HB2 TRP 41 HB2 TRP 41 2.864 33.174 -10.947 281 HB3 TRP 41 HB3 TRP 41 1.396 33.704 -10.129 282 HD1 TRP 41 HD1 TRP 41 5.064 33.635 -8.845 283 HE1 TRP 41 HE1 TRP 41 5.643 35.996 -7.998 284 HE3 TRP 41 HE3 TRP 41 0.691 36.013 -10.014 285 HZ2 TRP 41 HZ2 TRP 41 4.409 38.531 -7.845 286 HZ3 TRP 41 HZ3 TRP 41 0.471 38.406 -9.483 287 HH2 TRP 41 HH2 TRP 41 2.292 39.636 -8.421 288 H PHE 42 H PHE 42 2.547 31.254 -6.749 289 HA PHE 42 HA PHE 42 -0.270 31.661 -6.170 290 HB2 PHE 42 HB2 PHE 42 0.762 29.570 -5.453 291 HB3 PHE 42 HB3 PHE 42 1.951 30.458 -4.507 292 HD1 PHE 42 HD1 PHE 42 -1.727 30.927 -4.800 293 HD2 PHE 42 HD2 PHE 42 1.562 29.906 -2.298 294 HE1 PHE 42 HE1 PHE 42 -3.232 30.859 -2.855 295 HE2 PHE 42 HE2 PHE 42 0.061 29.837 -0.349 296 HZ PHE 42 HZ PHE 42 -2.338 30.314 -0.626 297 H THR 43 H THR 43 2.859 32.948 -5.228 298 HA THR 43 HA THR 43 1.472 35.157 -3.874 299 HB THR 43 HB THR 43 4.079 34.449 -2.705 300 HG1 THR 43 HG1 THR 43 1.798 32.786 -2.288 301 HG21 THR 43 HG21 THR 43 2.205 34.615 -0.701 302 HG22 THR 43 HG22 THR 43 3.163 35.960 -1.320 303 HG23 THR 43 HG23 THR 43 1.538 35.674 -1.942 304 H SER 44 H SER 44 3.265 36.908 -3.320 305 HA SER 44 HA SER 44 4.463 37.578 -5.880 306 HB2 SER 44 HB2 SER 44 3.112 39.163 -4.301 307 HB3 SER 44 HB3 SER 44 4.643 39.317 -3.440 308 HG SER 44 HG SER 44 4.024 40.785 -5.361 309 H SER 45 H SER 45 5.576 35.457 -4.105 310 HA SER 45 HA SER 45 8.215 36.616 -3.522 311 HB2 SER 45 HB2 SER 45 7.275 33.891 -2.641 312 HB3 SER 45 HB3 SER 45 8.573 34.873 -1.965 313 HG SER 45 HG SER 45 7.081 36.223 -1.061 314 H GLY 46 H GLY 46 6.922 35.518 -6.123 315 HA2 GLY 46 HA2 GLY 46 8.352 34.912 -7.978 316 HA3 GLY 46 HA3 GLY 46 9.273 33.903 -6.872 317 H ASN 47 H ASN 47 8.180 33.078 -9.375 318 HA ASN 47 HA ASN 47 5.763 31.639 -9.021 319 HB2 ASN 47 HB2 ASN 47 7.936 30.988 -11.014 320 HB3 ASN 47 HB3 ASN 47 6.210 30.662 -11.155 321 HD21 ASN 47 HD21 ASN 47 8.668 32.707 -12.022 322 HD22 ASN 47 HD22 ASN 47 7.728 34.064 -12.536 323 H ALA 48 H ALA 48 5.410 29.823 -7.941 324 HA ALA 48 HA ALA 48 7.648 28.304 -6.893 325 HB1 ALA 48 HB1 ALA 48 5.123 28.920 -5.936 326 HB2 ALA 48 HB2 ALA 48 5.030 27.201 -6.320 327 HB3 ALA 48 HB3 ALA 48 6.273 27.793 -5.217 328 H CYS 49 H CYS 49 7.602 25.909 -6.975 329 HA CYS 49 HA CYS 49 6.892 25.025 -9.682 330 HB2 CYS 49 HB2 CYS 49 9.226 24.746 -9.196 331 HB3 CYS 49 HB3 CYS 49 8.870 23.955 -7.664 332 H TRP 50 H TRP 50 5.177 23.773 -9.939 333 HA TRP 50 HA TRP 50 4.031 22.424 -7.611 334 HB2 TRP 50 HB2 TRP 50 2.408 23.708 -8.756 335 HB3 TRP 50 HB3 TRP 50 2.948 23.135 -10.331 336 HD1 TRP 50 HD1 TRP 50 2.135 20.689 -11.094 337 HE1 TRP 50 HE1 TRP 50 0.160 19.230 -10.323 338 HE3 TRP 50 HE3 TRP 50 1.010 23.091 -6.723 339 HZ2 TRP 50 HZ2 TRP 50 -1.639 19.114 -8.150 340 HZ3 TRP 50 HZ3 TRP 50 -0.853 22.244 -5.358 341 HH2 TRP 50 HH2 TRP 50 -2.148 20.296 -6.058 342 H CYS 51 H CYS 51 3.797 20.244 -7.448 343 HA CYS 51 HA CYS 51 4.881 18.615 -9.652 344 HB2 CYS 51 HB2 CYS 51 5.360 18.424 -6.691 345 HB3 CYS 51 HB3 CYS 51 5.547 17.013 -7.727 346 H VAL 52 H VAL 52 3.724 16.869 -10.271 347 HA VAL 52 HA VAL 52 1.121 16.486 -8.986 348 HB VAL 52 HB VAL 52 1.032 16.849 -11.373 349 HG11 VAL 52 HG11 VAL 52 2.027 14.855 -12.782 350 HG12 VAL 52 HG12 VAL 52 3.019 16.242 -12.332 351 HG13 VAL 52 HG13 VAL 52 3.132 14.741 -11.413 352 HG21 VAL 52 HG21 VAL 52 -0.534 15.263 -11.793 353 HG22 VAL 52 HG22 VAL 52 0.516 13.936 -11.294 354 HG23 VAL 52 HG23 VAL 52 -0.297 14.922 -10.078 355 H LYS 53 H LYS 53 0.378 14.477 -8.306 356 HA LYS 53 HA LYS 53 0.688 12.579 -7.041 357 HB2 LYS 53 HB2 LYS 53 1.345 10.663 -8.408 358 HB3 LYS 53 HB3 LYS 53 0.270 11.730 -9.304 359 HG2 LYS 53 HG2 LYS 53 1.975 12.491 -10.689 360 HG3 LYS 53 HG3 LYS 53 3.241 11.958 -9.582 361 HD2 LYS 53 HD2 LYS 53 1.674 9.697 -10.335 362 HD3 LYS 53 HD3 LYS 53 2.143 10.572 -11.795 363 HE2 LYS 53 HE2 LYS 53 4.486 10.615 -10.533 364 HE3 LYS 53 HE3 LYS 53 3.820 9.160 -9.793 365 HZ1 LYS 53 HZ1 LYS 53 3.780 8.054 -11.787 366 HZ2 LYS 53 HZ2 LYS 53 3.719 9.468 -12.715 367 HZ3 LYS 53 HZ3 LYS 53 5.170 8.999 -11.984 368 H LEU 54 H LEU 54 2.612 14.375 -6.297 369 HA LEU 54 HA LEU 54 5.248 13.287 -6.462 370 HB2 LEU 54 HB2 LEU 54 4.397 15.723 -5.954 371 HB3 LEU 54 HB3 LEU 54 4.434 15.155 -4.287 372 HG LEU 54 HG LEU 54 6.827 14.666 -4.514 373 HD11 LEU 54 HD11 LEU 54 7.757 14.434 -6.511 374 HD12 LEU 54 HD12 LEU 54 6.253 14.927 -7.288 375 HD13 LEU 54 HD13 LEU 54 7.456 16.139 -6.846 376 HD21 LEU 54 HD21 LEU 54 5.651 17.094 -4.158 377 HD22 LEU 54 HD22 LEU 54 7.374 16.769 -3.958 378 HD23 LEU 54 HD23 LEU 54 6.772 17.433 -5.477 379 HA PRO 55 HA PRO 55 4.877 10.219 -3.302 380 HB2 PRO 55 HB2 PRO 55 7.528 9.764 -2.935 381 HB3 PRO 55 HB3 PRO 55 6.638 9.170 -4.341 382 HG2 PRO 55 HG2 PRO 55 8.393 11.581 -4.092 383 HG3 PRO 55 HG3 PRO 55 8.304 10.394 -5.404 384 HD2 PRO 55 HD2 PRO 55 7.109 12.819 -5.551 385 HD3 PRO 55 HD3 PRO 55 6.437 11.374 -6.335 386 H LYS 56 H LYS 56 4.971 10.089 -1.093 387 HA LYS 56 HA LYS 56 5.191 12.430 0.411 388 HB2 LYS 56 HB2 LYS 56 5.087 9.518 1.099 389 HB3 LYS 56 HB3 LYS 56 5.413 10.694 2.366 390 HG2 LYS 56 HG2 LYS 56 3.319 11.824 1.888 391 HG3 LYS 56 HG3 LYS 56 2.997 10.698 0.568 392 HD2 LYS 56 HD2 LYS 56 2.962 8.841 2.169 393 HD3 LYS 56 HD3 LYS 56 3.273 9.975 3.486 394 HE2 LYS 56 HE2 LYS 56 1.161 11.168 2.794 395 HE3 LYS 56 HE3 LYS 56 0.836 9.806 1.725 396 HZ1 LYS 56 HZ1 LYS 56 0.337 10.026 4.482 397 HZ2 LYS 56 HZ2 LYS 56 -0.052 8.753 3.439 398 HZ3 LYS 56 HZ3 LYS 56 1.440 8.767 4.235 399 H SER 57 H SER 57 7.573 10.016 -0.426 400 HA SER 57 HA SER 57 9.537 10.463 1.460 401 HB2 SER 57 HB2 SER 57 11.047 9.448 -0.024 402 HB3 SER 57 HB3 SER 57 9.485 8.796 -0.518 403 HG SER 57 HG SER 57 10.507 9.469 -2.359 404 H GLU 58 H GLU 58 8.695 12.385 -1.357 405 HA GLU 58 HA GLU 58 10.959 14.141 -1.098 406 HB2 GLU 58 HB2 GLU 58 8.429 14.362 -2.737 407 HB3 GLU 58 HB3 GLU 58 9.773 15.492 -2.831 408 HG2 GLU 58 HG2 GLU 58 9.999 12.547 -3.400 409 HG3 GLU 58 HG3 GLU 58 9.739 13.783 -4.630 410 HA PRO 59 HA PRO 59 9.384 17.044 1.793 411 HB2 PRO 59 HB2 PRO 59 10.465 19.354 0.863 412 HB3 PRO 59 HB3 PRO 59 11.421 18.099 1.661 413 HG2 PRO 59 HG2 PRO 59 11.089 18.656 -1.262 414 HG3 PRO 59 HG3 PRO 59 12.562 18.255 -0.360 415 HD2 PRO 59 HD2 PRO 59 11.208 16.425 -1.825 416 HD3 PRO 59 HD3 PRO 59 12.089 15.999 -0.344 417 H ILE 60 H ILE 60 7.997 18.908 2.055 418 HA ILE 60 HA ILE 60 6.602 19.887 -0.301 419 HB ILE 60 HB ILE 60 4.368 19.406 0.753 420 HG12 ILE 60 HG12 ILE 60 6.010 17.481 2.414 421 HG13 ILE 60 HG13 ILE 60 5.200 18.919 3.023 422 HG21 ILE 60 HG21 ILE 60 4.193 17.235 -0.205 423 HG22 ILE 60 HG22 ILE 60 5.390 18.124 -1.147 424 HG23 ILE 60 HG23 ILE 60 5.913 16.924 0.035 425 HD11 ILE 60 HD11 ILE 60 3.292 17.338 1.640 426 HD12 ILE 60 HD12 ILE 60 4.179 16.304 2.761 427 HD13 ILE 60 HD13 ILE 60 3.360 17.748 3.353 428 H LYS 61 H LYS 61 5.481 21.821 0.037 429 HA LYS 61 HA LYS 61 6.540 23.621 1.842 430 HB2 LYS 61 HB2 LYS 61 5.342 24.395 -0.094 431 HB3 LYS 61 HB3 LYS 61 3.856 23.631 0.456 432 HG2 LYS 61 HG2 LYS 61 3.729 26.002 0.821 433 HG3 LYS 61 HG3 LYS 61 3.808 25.174 2.378 434 HD2 LYS 61 HD2 LYS 61 6.252 25.639 2.431 435 HD3 LYS 61 HD3 LYS 61 6.063 26.588 0.955 436 HE2 LYS 61 HE2 LYS 61 4.233 27.836 2.337 437 HE3 LYS 61 HE3 LYS 61 5.090 27.162 3.722 438 HZ1 LYS 61 HZ1 LYS 61 6.964 28.387 3.275 439 HZ2 LYS 61 HZ2 LYS 61 6.599 28.581 1.634 440 HZ3 LYS 61 HZ3 LYS 61 5.754 29.471 2.799 441 H VAL 62 H VAL 62 6.258 24.045 3.936 442 HA VAL 62 HA VAL 62 3.860 22.989 5.278 443 HB VAL 62 HB VAL 62 5.397 22.635 7.302 444 HG11 VAL 62 HG11 VAL 62 5.503 20.409 6.813 445 HG12 VAL 62 HG12 VAL 62 4.397 20.927 5.541 446 HG13 VAL 62 HG13 VAL 62 6.106 20.682 5.179 447 HG21 VAL 62 HG21 VAL 62 7.627 22.786 7.111 448 HG22 VAL 62 HG22 VAL 62 7.636 22.031 5.517 449 HG23 VAL 62 HG23 VAL 62 7.288 23.752 5.675 450 HA PRO 63 HA PRO 63 3.407 26.950 7.113 451 HB2 PRO 63 HB2 PRO 63 2.373 26.309 9.540 452 HB3 PRO 63 HB3 PRO 63 1.453 26.174 8.037 453 HG2 PRO 63 HG2 PRO 63 2.877 24.044 9.585 454 HG3 PRO 63 HG3 PRO 63 1.279 23.990 8.817 455 HD2 PRO 63 HD2 PRO 63 3.478 22.892 7.681 456 HD3 PRO 63 HD3 PRO 63 2.158 23.595 6.724 457 H GLY 64 H GLY 64 5.044 28.192 7.772 458 HA2 GLY 64 HA2 GLY 64 6.144 28.042 10.364 459 HA3 GLY 64 HA3 GLY 64 7.267 27.312 9.226 460 H LYS 65 H LYS 65 8.746 28.627 8.416 461 HA LYS 65 HA LYS 65 8.114 31.288 7.553 462 HB2 LYS 65 HB2 LYS 65 9.433 30.824 10.161 463 HB3 LYS 65 HB3 LYS 65 10.181 32.039 9.132 464 HG2 LYS 65 HG2 LYS 65 7.750 32.953 8.922 465 HG3 LYS 65 HG3 LYS 65 7.485 32.031 10.403 466 HD2 LYS 65 HD2 LYS 65 8.143 34.001 11.334 467 HD3 LYS 65 HD3 LYS 65 9.734 33.270 11.106 468 HE2 LYS 65 HE2 LYS 65 10.033 35.382 10.217 469 HE3 LYS 65 HE3 LYS 65 9.650 34.428 8.786 470 HZ1 LYS 65 HZ1 LYS 65 7.741 36.120 10.307 471 HZ2 LYS 65 HZ2 LYS 65 8.417 36.496 8.803 472 HZ3 LYS 65 HZ3 LYS 65 7.355 35.187 8.949 473 H CYS 66 H CYS 66 9.117 31.311 5.659 474 HA CYS 66 HA CYS 66 11.393 29.699 5.076 475 HB2 CYS 66 HB2 CYS 66 9.859 30.165 3.298 476 HB3 CYS 66 HB3 CYS 66 10.011 31.902 3.542 477 H HIS 67 H HIS 67 13.522 30.232 4.891 478 HA HIS 67 HA HIS 67 14.278 32.949 5.745 479 HB2 HIS 67 HB2 HIS 67 16.204 32.028 6.870 480 HB3 HIS 67 HB3 HIS 67 14.769 31.174 7.431 481 HD1 HIS 67 HD1 HIS 67 17.816 30.703 5.274 482 HD2 HIS 67 HD2 HIS 67 14.731 28.457 6.920 483 HE1 HIS 67 HE1 HIS 67 18.456 28.301 4.895 Start of MODEL 14 1 H1 GLY 1 H GLY 1 3.172 0.501 1.882 2 HA2 GLY 1 HA2 GLY 1 4.015 0.000 -0.199 3 HA3 GLY 1 HA3 GLY 1 2.361 -0.248 -0.738 4 H GLU 2 H GLU 2 3.004 0.737 -2.742 5 HA GLU 2 HA GLU 2 4.052 3.302 -3.015 6 HB2 GLU 2 HB2 GLU 2 3.273 3.248 -5.280 7 HB3 GLU 2 HB3 GLU 2 3.783 1.622 -4.846 8 HG2 GLU 2 HG2 GLU 2 1.446 0.998 -4.465 9 HG3 GLU 2 HG3 GLU 2 0.946 2.622 -4.937 10 H GLU 3 H GLU 3 3.227 5.321 -2.950 11 HA GLU 3 HA GLU 3 0.446 5.901 -3.131 12 HB2 GLU 3 HB2 GLU 3 0.165 6.769 -0.822 13 HB3 GLU 3 HB3 GLU 3 0.363 5.023 -0.886 14 HG2 GLU 3 HG2 GLU 3 2.798 5.399 -0.363 15 HG3 GLU 3 HG3 GLU 3 2.380 7.079 -0.036 16 H VAL 4 H VAL 4 0.217 7.931 -3.832 17 HA VAL 4 HA VAL 4 2.230 9.938 -3.131 18 HB VAL 4 HB VAL 4 2.239 10.724 -5.526 19 HG11 VAL 4 HG11 VAL 4 4.197 9.675 -5.756 20 HG12 VAL 4 HG12 VAL 4 3.811 8.869 -4.235 21 HG13 VAL 4 HG13 VAL 4 3.437 8.083 -5.769 22 HG21 VAL 4 HG21 VAL 4 0.952 8.030 -5.947 23 HG22 VAL 4 HG22 VAL 4 0.301 9.610 -6.381 24 HG23 VAL 4 HG23 VAL 4 1.710 8.973 -7.230 25 H ARG 5 H ARG 5 1.540 12.154 -3.793 26 HA ARG 5 HA ARG 5 -1.303 12.522 -4.244 27 HB2 ARG 5 HB2 ARG 5 -1.837 13.569 -2.243 28 HB3 ARG 5 HB3 ARG 5 -0.795 12.257 -1.709 29 HG2 ARG 5 HG2 ARG 5 0.022 15.129 -2.096 30 HG3 ARG 5 HG3 ARG 5 -0.249 14.314 -0.554 31 HD2 ARG 5 HD2 ARG 5 1.542 12.638 -1.641 32 HD3 ARG 5 HD3 ARG 5 2.030 14.138 -2.428 33 HE ARG 5 HE ARG 5 1.692 14.346 0.427 34 HH11 ARG 5 HH11 ARG 5 3.887 13.623 -2.176 35 HH12 ARG 5 HH12 ARG 5 5.308 13.970 -1.248 36 HH21 ARG 5 HH21 ARG 5 3.555 14.806 1.660 37 HH22 ARG 5 HH22 ARG 5 5.118 14.642 0.934 38 H ASP 6 H ASP 6 -1.865 14.796 -4.599 39 HA ASP 6 HA ASP 6 0.310 16.170 -5.960 40 HB2 ASP 6 HB2 ASP 6 -1.588 17.698 -6.715 41 HB3 ASP 6 HB3 ASP 6 -1.655 16.028 -7.273 42 H ALA 7 H ALA 7 1.469 17.653 -4.944 43 HA ALA 7 HA ALA 7 0.174 19.638 -3.275 44 HB1 ALA 7 HB1 ALA 7 0.972 17.506 -1.914 45 HB2 ALA 7 HB2 ALA 7 2.519 18.353 -1.986 46 HB3 ALA 7 HB3 ALA 7 1.116 19.140 -1.263 47 H TYR 8 H TYR 8 1.765 21.327 -2.556 48 HA TYR 8 HA TYR 8 3.431 22.036 -4.796 49 HB2 TYR 8 HB2 TYR 8 2.446 23.390 -2.340 50 HB3 TYR 8 HB3 TYR 8 3.937 24.002 -3.049 51 HD1 TYR 8 HD1 TYR 8 0.331 23.720 -3.419 52 HD2 TYR 8 HD2 TYR 8 3.929 24.951 -5.326 53 HE1 TYR 8 HE1 TYR 8 -0.983 24.999 -5.058 54 HE2 TYR 8 HE2 TYR 8 2.626 26.235 -6.969 55 HH TYR 8 HH TYR 8 0.185 27.350 -6.916 56 H ILE 9 H ILE 9 5.411 21.244 -5.004 57 HA ILE 9 HA ILE 9 6.893 20.088 -2.886 58 HB ILE 9 HB ILE 9 7.129 19.529 -5.335 59 HG12 ILE 9 HG12 ILE 9 9.654 20.218 -3.816 60 HG13 ILE 9 HG13 ILE 9 8.722 18.734 -3.644 61 HG21 ILE 9 HG21 ILE 9 7.861 21.011 -6.827 62 HG22 ILE 9 HG22 ILE 9 7.632 22.238 -5.581 63 HG23 ILE 9 HG23 ILE 9 9.214 21.487 -5.799 64 HD11 ILE 9 HD11 ILE 9 9.390 19.107 -6.391 65 HD12 ILE 9 HD12 ILE 9 10.843 19.257 -5.404 66 HD13 ILE 9 HD13 ILE 9 9.850 17.803 -5.296 67 H ALA 10 H ALA 10 8.802 20.795 -1.884 68 HA ALA 10 HA ALA 10 9.624 23.565 -2.255 69 HB1 ALA 10 HB1 ALA 10 7.835 22.873 -0.211 70 HB2 ALA 10 HB2 ALA 10 9.402 23.096 0.568 71 HB3 ALA 10 HB3 ALA 10 8.711 24.391 -0.409 72 H GLN 11 H GLN 11 11.753 23.888 -1.853 73 HA GLN 11 HA GLN 11 13.545 21.798 -1.806 74 HB2 GLN 11 HB2 GLN 11 15.187 23.561 -0.906 75 HB3 GLN 11 HB3 GLN 11 14.413 23.872 -2.455 76 HG2 GLN 11 HG2 GLN 11 12.894 25.419 -1.473 77 HG3 GLN 11 HG3 GLN 11 13.413 24.980 0.154 78 HE21 GLN 11 HE21 GLN 11 14.581 26.354 -2.885 79 HE22 GLN 11 HE22 GLN 11 15.743 27.410 -2.166 80 HA PRO 12 HA PRO 12 13.833 20.277 2.298 81 HB2 PRO 12 HB2 PRO 12 16.489 19.760 2.520 82 HB3 PRO 12 HB3 PRO 12 15.401 18.788 1.523 83 HG2 PRO 12 HG2 PRO 12 17.269 20.978 0.705 84 HG3 PRO 12 HG3 PRO 12 16.965 19.417 -0.078 85 HD2 PRO 12 HD2 PRO 12 15.858 21.727 -0.957 86 HD3 PRO 12 HD3 PRO 12 15.035 20.160 -1.095 87 H HIS 13 H HIS 13 15.323 23.189 1.409 88 HA HIS 13 HA HIS 13 16.305 23.752 4.104 89 HB2 HIS 13 HB2 HIS 13 16.597 25.136 1.450 90 HB3 HIS 13 HB3 HIS 13 16.990 25.965 2.952 91 HD1 HIS 13 HD1 HIS 13 18.833 24.691 0.455 92 HD2 HIS 13 HD2 HIS 13 18.658 23.626 4.467 93 HE1 HIS 13 HE1 HIS 13 21.018 23.547 0.942 94 H ASN 14 H ASN 14 13.469 23.453 3.648 95 HA ASN 14 HA ASN 14 11.472 24.477 4.054 96 HB2 ASN 14 HB2 ASN 14 13.088 24.959 6.147 97 HB3 ASN 14 HB3 ASN 14 12.772 26.618 5.649 98 HD21 ASN 14 HD21 ASN 14 10.180 26.408 4.756 99 HD22 ASN 14 HD22 ASN 14 9.145 26.032 6.087 100 H CYS 15 H CYS 15 11.513 25.161 1.756 101 HA CYS 15 HA CYS 15 10.732 27.857 1.500 102 HB2 CYS 15 HB2 CYS 15 13.527 27.442 1.290 103 HB3 CYS 15 HB3 CYS 15 12.931 27.759 -0.336 104 H VAL 16 H VAL 16 10.210 28.427 -0.772 105 HA VAL 16 HA VAL 16 9.178 26.080 -2.139 106 HB VAL 16 HB VAL 16 8.024 27.718 -3.603 107 HG11 VAL 16 HG11 VAL 16 7.393 26.968 -1.074 108 HG12 VAL 16 HG12 VAL 16 7.333 28.725 -0.931 109 HG13 VAL 16 HG13 VAL 16 6.334 27.902 -2.130 110 HG21 VAL 16 HG21 VAL 16 9.905 29.520 -2.364 111 HG22 VAL 16 HG22 VAL 16 8.874 29.768 -3.773 112 HG23 VAL 16 HG23 VAL 16 8.251 30.093 -2.156 113 H TYR 17 H TYR 17 10.079 25.178 -3.869 114 HA TYR 17 HA TYR 17 12.582 25.824 -4.846 115 HB2 TYR 17 HB2 TYR 17 10.331 24.141 -5.812 116 HB3 TYR 17 HB3 TYR 17 11.589 24.538 -6.978 117 HD1 TYR 17 HD1 TYR 17 14.050 24.120 -6.152 118 HD2 TYR 17 HD2 TYR 17 10.605 22.284 -4.457 119 HE1 TYR 17 HE1 TYR 17 15.460 22.319 -5.250 120 HE2 TYR 17 HE2 TYR 17 12.008 20.479 -3.549 121 HH TYR 17 HH TYR 17 15.293 20.661 -3.283 122 H HIS 18 H HIS 18 13.252 27.566 -5.891 123 HA HIS 18 HA HIS 18 11.405 29.279 -7.296 124 HB2 HIS 18 HB2 HIS 18 13.139 30.327 -5.984 125 HB3 HIS 18 HB3 HIS 18 14.391 29.449 -6.857 126 HD1 HIS 18 HD1 HIS 18 12.315 32.491 -6.987 127 HD2 HIS 18 HD2 HIS 18 14.812 30.370 -9.542 128 HE1 HIS 18 HE1 HIS 18 12.803 34.051 -8.898 129 H CYS 19 H CYS 19 10.739 28.651 -9.249 130 HA CYS 19 HA CYS 19 12.703 27.475 -11.097 131 HB2 CYS 19 HB2 CYS 19 10.872 26.463 -12.266 132 HB3 CYS 19 HB3 CYS 19 10.642 26.145 -10.550 133 H PHE 20 H PHE 20 13.022 28.330 -13.120 134 HA PHE 20 HA PHE 20 12.326 31.106 -13.441 135 HB2 PHE 20 HB2 PHE 20 14.535 29.815 -14.109 136 HB3 PHE 20 HB3 PHE 20 13.655 29.534 -15.608 137 HD1 PHE 20 HD1 PHE 20 14.136 30.991 -17.299 138 HD2 PHE 20 HD2 PHE 20 14.243 32.400 -13.284 139 HE1 PHE 20 HE1 PHE 20 14.790 33.223 -18.103 140 HE2 PHE 20 HE2 PHE 20 14.897 34.633 -14.080 141 HZ PHE 20 HZ PHE 20 15.170 35.049 -16.493 142 H ARG 21 H ARG 21 11.471 28.040 -14.948 143 HA ARG 21 HA ARG 21 9.077 29.243 -16.048 144 HB2 ARG 21 HB2 ARG 21 9.564 28.250 -18.330 145 HB3 ARG 21 HB3 ARG 21 10.485 29.685 -17.899 146 HG2 ARG 21 HG2 ARG 21 12.431 28.381 -17.430 147 HG3 ARG 21 HG3 ARG 21 11.524 26.877 -17.609 148 HD2 ARG 21 HD2 ARG 21 12.765 27.200 -19.613 149 HD3 ARG 21 HD3 ARG 21 11.075 27.538 -19.983 150 HE ARG 21 HE ARG 21 11.656 29.696 -20.462 151 HH11 ARG 21 HH11 ARG 21 14.219 28.216 -18.629 152 HH12 ARG 21 HH12 ARG 21 15.304 29.553 -18.821 153 HH21 ARG 21 HH21 ARG 21 13.075 31.462 -20.722 154 HH22 ARG 21 HH22 ARG 21 14.652 31.399 -20.010 155 H ASP 22 H ASP 22 7.602 27.611 -16.959 156 HA ASP 22 HA ASP 22 7.191 25.465 -15.272 157 HB2 ASP 22 HB2 ASP 22 6.307 25.670 -18.159 158 HB3 ASP 22 HB3 ASP 22 5.591 24.636 -16.925 159 H SER 23 H SER 23 9.028 25.609 -18.266 160 HA SER 23 HA SER 23 9.391 22.888 -18.732 161 HB2 SER 23 HB2 SER 23 11.168 25.260 -19.309 162 HB3 SER 23 HB3 SER 23 11.556 23.627 -19.850 163 HG SER 23 HG SER 23 9.371 25.258 -20.584 164 H TYR 24 H TYR 24 11.058 25.065 -16.534 165 HA TYR 24 HA TYR 24 13.150 23.277 -15.836 166 HB2 TYR 24 HB2 TYR 24 13.198 25.757 -15.481 167 HB3 TYR 24 HB3 TYR 24 12.035 25.546 -14.177 168 HD1 TYR 24 HD1 TYR 24 12.893 25.504 -12.043 169 HD2 TYR 24 HD2 TYR 24 15.320 24.100 -15.242 170 HE1 TYR 24 HE1 TYR 24 14.734 25.103 -10.462 171 HE2 TYR 24 HE2 TYR 24 17.168 23.693 -13.671 172 HH TYR 24 HH TYR 24 17.824 23.730 -11.552 173 H CYS 25 H CYS 25 10.188 24.233 -14.095 174 HA CYS 25 HA CYS 25 10.469 22.430 -11.971 175 HB2 CYS 25 HB2 CYS 25 8.920 24.263 -11.794 176 HB3 CYS 25 HB3 CYS 25 8.002 23.688 -13.182 177 H ASN 26 H ASN 26 9.048 22.056 -15.163 178 HA ASN 26 HA ASN 26 7.658 19.680 -14.824 179 HB2 ASN 26 HB2 ASN 26 7.347 20.747 -16.887 180 HB3 ASN 26 HB3 ASN 26 9.079 20.891 -17.179 181 HD21 ASN 26 HD21 ASN 26 7.145 18.095 -16.209 182 HD22 ASN 26 HD22 ASN 26 7.550 17.121 -17.577 183 H ASP 27 H ASP 27 10.998 20.038 -16.027 184 HA ASP 27 HA ASP 27 11.537 17.242 -15.851 185 HB2 ASP 27 HB2 ASP 27 12.698 19.278 -17.201 186 HB3 ASP 27 HB3 ASP 27 13.818 19.129 -15.849 187 H LEU 28 H LEU 28 12.101 20.013 -13.766 188 HA LEU 28 HA LEU 28 13.889 18.863 -11.955 189 HB2 LEU 28 HB2 LEU 28 13.627 21.151 -11.735 190 HB3 LEU 28 HB3 LEU 28 11.867 21.054 -11.783 191 HG LEU 28 HG LEU 28 11.839 20.183 -9.506 192 HD11 LEU 28 HD11 LEU 28 14.632 19.752 -10.034 193 HD12 LEU 28 HD12 LEU 28 14.418 20.709 -8.567 194 HD13 LEU 28 HD13 LEU 28 13.630 19.138 -8.720 195 HD21 LEU 28 HD21 LEU 28 12.203 22.740 -10.226 196 HD22 LEU 28 HD22 LEU 28 12.009 22.225 -8.551 197 HD23 LEU 28 HD23 LEU 28 13.621 22.519 -9.202 198 H CYS 29 H CYS 29 10.396 18.634 -12.205 199 HA CYS 29 HA CYS 29 9.980 17.403 -9.673 200 HB2 CYS 29 HB2 CYS 29 8.354 17.834 -12.137 201 HB3 CYS 29 HB3 CYS 29 7.811 16.610 -10.993 202 H ILE 30 H ILE 30 10.651 16.208 -12.907 203 HA ILE 30 HA ILE 30 10.055 13.501 -12.507 204 HB ILE 30 HB ILE 30 12.216 14.641 -14.283 205 HG12 ILE 30 HG12 ILE 30 9.351 13.991 -14.999 206 HG13 ILE 30 HG13 ILE 30 9.911 15.613 -14.606 207 HG21 ILE 30 HG21 ILE 30 11.310 11.958 -13.764 208 HG22 ILE 30 HG22 ILE 30 11.054 12.390 -15.454 209 HG23 ILE 30 HG23 ILE 30 12.664 12.515 -14.748 210 HD11 ILE 30 HD11 ILE 30 11.575 15.340 -16.492 211 HD12 ILE 30 HD12 ILE 30 10.654 13.909 -16.957 212 HD13 ILE 30 HD13 ILE 30 9.877 15.491 -16.946 213 H LYS 31 H LYS 31 13.118 15.257 -12.099 214 HA LYS 31 HA LYS 31 14.759 13.142 -11.399 215 HB2 LYS 31 HB2 LYS 31 15.595 15.406 -11.795 216 HB3 LYS 31 HB3 LYS 31 14.804 15.971 -10.330 217 HG2 LYS 31 HG2 LYS 31 16.733 13.732 -10.083 218 HG3 LYS 31 HG3 LYS 31 17.370 15.350 -10.389 219 HD2 LYS 31 HD2 LYS 31 15.841 16.078 -8.444 220 HD3 LYS 31 HD3 LYS 31 15.775 14.359 -8.049 221 HE2 LYS 31 HE2 LYS 31 18.362 15.851 -8.419 222 HE3 LYS 31 HE3 LYS 31 17.548 15.729 -6.860 223 HZ1 LYS 31 HZ1 LYS 31 19.168 13.811 -8.196 224 HZ2 LYS 31 HZ2 LYS 31 18.611 13.817 -6.598 225 HZ3 LYS 31 HZ3 LYS 31 17.650 13.160 -7.826 226 H HIS 32 H HIS 32 12.439 14.911 -9.439 227 HA HIS 32 HA HIS 32 13.232 13.711 -6.963 228 HB2 HIS 32 HB2 HIS 32 10.845 15.335 -7.823 229 HB3 HIS 32 HB3 HIS 32 10.954 14.638 -6.210 230 HD1 HIS 32 HD1 HIS 32 11.489 16.523 -4.699 231 HD2 HIS 32 HD2 HIS 32 13.733 16.655 -8.192 232 HE1 HIS 32 HE1 HIS 32 13.075 18.452 -4.407 233 H GLY 33 H GLY 33 10.988 12.923 -9.516 234 HA2 GLY 33 HA2 GLY 33 10.500 10.506 -9.711 235 HA3 GLY 33 HA3 GLY 33 10.186 10.528 -7.982 236 H ALA 34 H ALA 34 9.148 13.048 -10.190 237 HA ALA 34 HA ALA 34 6.361 12.272 -9.641 238 HB1 ALA 34 HB1 ALA 34 7.627 14.684 -9.171 239 HB2 ALA 34 HB2 ALA 34 6.712 14.968 -10.653 240 HB3 ALA 34 HB3 ALA 34 5.885 14.404 -9.200 241 H GLU 35 H GLU 35 4.784 12.732 -11.346 242 HA GLU 35 HA GLU 35 5.606 11.660 -13.835 243 HB2 GLU 35 HB2 GLU 35 3.345 11.330 -12.981 244 HB3 GLU 35 HB3 GLU 35 3.039 13.059 -13.066 245 HG2 GLU 35 HG2 GLU 35 1.989 12.174 -14.948 246 HG3 GLU 35 HG3 GLU 35 3.494 12.860 -15.557 247 H SER 36 H SER 36 4.734 14.935 -12.799 248 HA SER 36 HA SER 36 6.414 16.102 -14.806 249 HB2 SER 36 HB2 SER 36 4.305 15.537 -16.075 250 HB3 SER 36 HB3 SER 36 3.453 16.674 -15.030 251 HG SER 36 HG SER 36 4.154 17.636 -16.996 252 H GLY 37 H GLY 37 5.906 18.624 -14.835 253 HA2 GLY 37 HA2 GLY 37 4.970 19.606 -12.267 254 HA3 GLY 37 HA3 GLY 37 6.695 19.783 -12.553 255 H GLU 38 H GLU 38 4.499 21.782 -12.241 256 HA GLU 38 HA GLU 38 5.175 23.358 -14.614 257 HB2 GLU 38 HB2 GLU 38 2.854 24.150 -14.821 258 HB3 GLU 38 HB3 GLU 38 2.982 22.418 -15.096 259 HG2 GLU 38 HG2 GLU 38 2.236 22.039 -12.768 260 HG3 GLU 38 HG3 GLU 38 1.998 23.778 -12.599 261 H CYS 39 H CYS 39 4.965 25.647 -14.317 262 HA CYS 39 HA CYS 39 5.538 26.440 -11.588 263 HB2 CYS 39 HB2 CYS 39 5.738 27.773 -14.268 264 HB3 CYS 39 HB3 CYS 39 5.797 28.741 -12.799 265 H LYS 40 H LYS 40 4.402 27.982 -10.404 266 HA LYS 40 HA LYS 40 1.910 29.038 -11.449 267 HB2 LYS 40 HB2 LYS 40 2.062 26.874 -9.409 268 HB3 LYS 40 HB3 LYS 40 0.861 28.137 -9.170 269 HG2 LYS 40 HG2 LYS 40 -0.025 27.666 -11.431 270 HG3 LYS 40 HG3 LYS 40 1.119 26.328 -11.562 271 HD2 LYS 40 HD2 LYS 40 -0.718 26.467 -9.212 272 HD3 LYS 40 HD3 LYS 40 -1.335 25.895 -10.764 273 HE2 LYS 40 HE2 LYS 40 0.904 24.443 -10.635 274 HE3 LYS 40 HE3 LYS 40 0.613 24.653 -8.908 275 HZ1 LYS 40 HZ1 LYS 40 -1.149 23.297 -8.962 276 HZ2 LYS 40 HZ2 LYS 40 -1.719 23.899 -10.437 277 HZ3 LYS 40 HZ3 LYS 40 -0.496 22.731 -10.417 278 H TRP 41 H TRP 41 1.756 31.076 -10.807 279 HA TRP 41 HA TRP 41 3.455 32.076 -8.701 280 HB2 TRP 41 HB2 TRP 41 2.754 33.215 -10.967 281 HB3 TRP 41 HB3 TRP 41 1.359 33.748 -10.034 282 HD1 TRP 41 HD1 TRP 41 5.076 33.601 -8.924 283 HE1 TRP 41 HE1 TRP 41 5.758 35.956 -8.138 284 HE3 TRP 41 HE3 TRP 41 0.745 36.101 -9.990 285 HZ2 TRP 41 HZ2 TRP 41 4.612 38.530 -7.990 286 HZ3 TRP 41 HZ3 TRP 41 0.620 38.508 -9.496 287 HH2 TRP 41 HH2 TRP 41 2.515 39.695 -8.515 288 H PHE 42 H PHE 42 2.723 31.318 -6.752 289 HA PHE 42 HA PHE 42 -0.074 31.629 -6.032 290 HB2 PHE 42 HB2 PHE 42 1.492 29.651 -5.401 291 HB3 PHE 42 HB3 PHE 42 2.080 30.732 -4.141 292 HD1 PHE 42 HD1 PHE 42 -1.118 29.405 -5.521 293 HD2 PHE 42 HD2 PHE 42 1.040 30.706 -2.091 294 HE1 PHE 42 HE1 PHE 42 -3.009 28.753 -4.088 295 HE2 PHE 42 HE2 PHE 42 -0.846 30.055 -0.652 296 HZ PHE 42 HZ PHE 42 -2.875 29.076 -1.650 297 H THR 43 H THR 43 3.050 33.040 -5.261 298 HA THR 43 HA THR 43 1.659 35.255 -3.933 299 HB THR 43 HB THR 43 4.262 34.569 -2.732 300 HG1 THR 43 HG1 THR 43 2.088 33.047 -1.817 301 HG21 THR 43 HG21 THR 43 2.264 34.810 -0.794 302 HG22 THR 43 HG22 THR 43 3.403 36.055 -1.307 303 HG23 THR 43 HG23 THR 43 1.814 35.947 -2.066 304 H SER 44 H SER 44 3.489 36.999 -3.392 305 HA SER 44 HA SER 44 4.668 37.629 -5.971 306 HB2 SER 44 HB2 SER 44 4.376 39.223 -3.418 307 HB3 SER 44 HB3 SER 44 5.185 39.834 -4.861 308 HG SER 44 HG SER 44 2.984 40.455 -4.784 309 H SER 45 H SER 45 5.774 35.511 -4.192 310 HA SER 45 HA SER 45 8.433 36.641 -3.644 311 HB2 SER 45 HB2 SER 45 8.609 34.223 -2.516 312 HB3 SER 45 HB3 SER 45 7.902 35.601 -1.671 313 HG SER 45 HG SER 45 6.749 33.296 -2.302 314 H GLY 46 H GLY 46 7.099 35.540 -6.225 315 HA2 GLY 46 HA2 GLY 46 8.502 34.908 -8.091 316 HA3 GLY 46 HA3 GLY 46 9.423 33.896 -6.989 317 H ASN 47 H ASN 47 8.289 33.072 -9.476 318 HA ASN 47 HA ASN 47 5.862 31.661 -9.085 319 HB2 ASN 47 HB2 ASN 47 7.968 30.901 -11.100 320 HB3 ASN 47 HB3 ASN 47 6.220 30.737 -11.230 321 HD21 ASN 47 HD21 ASN 47 8.903 32.655 -11.909 322 HD22 ASN 47 HD22 ASN 47 8.069 34.053 -12.489 323 H ALA 48 H ALA 48 5.506 29.856 -7.987 324 HA ALA 48 HA ALA 48 7.741 28.317 -6.964 325 HB1 ALA 48 HB1 ALA 48 6.371 28.085 -5.234 326 HB2 ALA 48 HB2 ALA 48 5.059 28.845 -6.135 327 HB3 ALA 48 HB3 ALA 48 5.304 27.101 -6.235 328 H CYS 49 H CYS 49 7.676 25.925 -7.038 329 HA CYS 49 HA CYS 49 6.915 25.035 -9.730 330 HB2 CYS 49 HB2 CYS 49 9.257 24.746 -9.290 331 HB3 CYS 49 HB3 CYS 49 8.927 23.966 -7.747 332 H TRP 50 H TRP 50 5.195 23.782 -9.954 333 HA TRP 50 HA TRP 50 4.089 22.444 -7.597 334 HB2 TRP 50 HB2 TRP 50 2.440 23.729 -8.693 335 HB3 TRP 50 HB3 TRP 50 2.951 23.180 -10.287 336 HD1 TRP 50 HD1 TRP 50 2.158 20.715 -11.048 337 HE1 TRP 50 HE1 TRP 50 0.186 19.255 -10.271 338 HE3 TRP 50 HE3 TRP 50 1.037 23.122 -6.678 339 HZ2 TRP 50 HZ2 TRP 50 -1.608 19.139 -8.095 340 HZ3 TRP 50 HZ3 TRP 50 -0.822 22.273 -5.308 341 HH2 TRP 50 HH2 TRP 50 -2.116 20.323 -6.004 342 H CYS 51 H CYS 51 3.806 20.262 -7.448 343 HA CYS 51 HA CYS 51 4.851 18.631 -9.670 344 HB2 CYS 51 HB2 CYS 51 5.366 18.415 -6.713 345 HB3 CYS 51 HB3 CYS 51 5.539 17.017 -7.768 346 H VAL 52 H VAL 52 3.730 16.815 -10.210 347 HA VAL 52 HA VAL 52 1.121 16.479 -8.912 348 HB VAL 52 HB VAL 52 1.010 16.841 -11.304 349 HG11 VAL 52 HG11 VAL 52 1.949 14.857 -12.734 350 HG12 VAL 52 HG12 VAL 52 3.000 16.190 -12.253 351 HG13 VAL 52 HG13 VAL 52 3.049 14.665 -11.368 352 HG21 VAL 52 HG21 VAL 52 -0.329 14.940 -9.976 353 HG22 VAL 52 HG22 VAL 52 -0.592 15.283 -11.687 354 HG23 VAL 52 HG23 VAL 52 0.445 13.940 -11.206 355 H LYS 53 H LYS 53 0.377 14.471 -8.224 356 HA LYS 53 HA LYS 53 0.692 12.572 -6.964 357 HB2 LYS 53 HB2 LYS 53 1.309 10.655 -8.330 358 HB3 LYS 53 HB3 LYS 53 0.269 11.739 -9.244 359 HG2 LYS 53 HG2 LYS 53 1.994 12.441 -10.623 360 HG3 LYS 53 HG3 LYS 53 3.244 11.930 -9.485 361 HD2 LYS 53 HD2 LYS 53 1.736 9.636 -10.166 362 HD3 LYS 53 HD3 LYS 53 2.105 10.486 -11.669 363 HE2 LYS 53 HE2 LYS 53 4.108 9.514 -11.587 364 HE3 LYS 53 HE3 LYS 53 4.474 10.591 -10.241 365 HZ1 LYS 53 HZ1 LYS 53 4.870 8.193 -9.790 366 HZ2 LYS 53 HZ2 LYS 53 3.813 8.932 -8.695 367 HZ3 LYS 53 HZ3 LYS 53 3.203 7.931 -9.914 368 H LEU 54 H LEU 54 2.663 14.407 -6.313 369 HA LEU 54 HA LEU 54 5.280 13.302 -6.471 370 HB2 LEU 54 HB2 LEU 54 4.439 15.738 -5.964 371 HB3 LEU 54 HB3 LEU 54 4.483 15.177 -4.294 372 HG LEU 54 HG LEU 54 6.875 14.681 -4.534 373 HD11 LEU 54 HD11 LEU 54 6.287 14.932 -7.302 374 HD12 LEU 54 HD12 LEU 54 7.486 16.153 -6.874 375 HD13 LEU 54 HD13 LEU 54 7.799 14.451 -6.532 376 HD21 LEU 54 HD21 LEU 54 6.806 17.450 -5.501 377 HD22 LEU 54 HD22 LEU 54 5.709 17.107 -4.163 378 HD23 LEU 54 HD23 LEU 54 7.435 16.787 -3.992 379 HA PRO 55 HA PRO 55 4.932 10.238 -3.302 380 HB2 PRO 55 HB2 PRO 55 7.586 9.766 -2.976 381 HB3 PRO 55 HB3 PRO 55 6.668 9.175 -4.367 382 HG2 PRO 55 HG2 PRO 55 8.444 11.575 -4.151 383 HG3 PRO 55 HG3 PRO 55 8.327 10.384 -5.460 384 HD2 PRO 55 HD2 PRO 55 7.145 12.817 -5.593 385 HD3 PRO 55 HD3 PRO 55 6.452 11.375 -6.363 386 H LYS 56 H LYS 56 5.118 10.079 -1.088 387 HA LYS 56 HA LYS 56 5.365 12.436 0.406 388 HB2 LYS 56 HB2 LYS 56 4.956 9.584 0.963 389 HB3 LYS 56 HB3 LYS 56 5.772 10.451 2.257 390 HG2 LYS 56 HG2 LYS 56 3.706 12.138 1.604 391 HG3 LYS 56 HG3 LYS 56 2.990 10.535 1.410 392 HD2 LYS 56 HD2 LYS 56 4.560 11.320 3.855 393 HD3 LYS 56 HD3 LYS 56 2.822 11.597 3.716 394 HE2 LYS 56 HE2 LYS 56 3.776 8.880 3.059 395 HE3 LYS 56 HE3 LYS 56 3.893 9.360 4.750 396 HZ1 LYS 56 HZ1 LYS 56 1.374 10.092 3.678 397 HZ2 LYS 56 HZ2 LYS 56 1.651 8.441 3.432 398 HZ3 LYS 56 HZ3 LYS 56 1.721 9.087 4.993 399 H SER 57 H SER 57 7.703 9.994 -0.467 400 HA SER 57 HA SER 57 9.704 10.421 1.383 401 HB2 SER 57 HB2 SER 57 9.775 9.669 -1.528 402 HB3 SER 57 HB3 SER 57 11.268 9.862 -0.611 403 HG SER 57 HG SER 57 10.394 7.689 -0.643 404 H GLU 58 H GLU 58 8.835 12.349 -1.421 405 HA GLU 58 HA GLU 58 11.123 14.082 -1.197 406 HB2 GLU 58 HB2 GLU 58 8.579 14.307 -2.814 407 HB3 GLU 58 HB3 GLU 58 9.920 15.439 -2.919 408 HG2 GLU 58 HG2 GLU 58 10.100 12.497 -3.521 409 HG3 GLU 58 HG3 GLU 58 9.919 13.771 -4.724 410 HA PRO 59 HA PRO 59 9.607 17.016 1.692 411 HB2 PRO 59 HB2 PRO 59 10.687 19.313 0.731 412 HB3 PRO 59 HB3 PRO 59 11.647 18.059 1.524 413 HG2 PRO 59 HG2 PRO 59 11.276 18.599 -1.398 414 HG3 PRO 59 HG3 PRO 59 12.759 18.194 -0.514 415 HD2 PRO 59 HD2 PRO 59 11.374 16.363 -1.948 416 HD3 PRO 59 HD3 PRO 59 12.273 15.942 -0.477 417 H ILE 60 H ILE 60 8.209 18.853 1.974 418 HA ILE 60 HA ILE 60 6.801 19.854 -0.366 419 HB ILE 60 HB ILE 60 4.574 19.362 0.710 420 HG12 ILE 60 HG12 ILE 60 6.234 17.400 2.306 421 HG13 ILE 60 HG13 ILE 60 5.440 18.829 2.959 422 HG21 ILE 60 HG21 ILE 60 4.379 17.227 -0.304 423 HG22 ILE 60 HG22 ILE 60 5.591 18.116 -1.228 424 HG23 ILE 60 HG23 ILE 60 6.093 16.886 -0.069 425 HD11 ILE 60 HD11 ILE 60 3.543 17.217 1.546 426 HD12 ILE 60 HD12 ILE 60 4.407 16.243 2.734 427 HD13 ILE 60 HD13 ILE 60 3.561 17.704 3.241 428 H LYS 61 H LYS 61 5.606 21.757 0.023 429 HA LYS 61 HA LYS 61 6.695 23.552 1.832 430 HB2 LYS 61 HB2 LYS 61 5.454 24.273 -0.134 431 HB3 LYS 61 HB3 LYS 61 3.969 23.601 0.527 432 HG2 LYS 61 HG2 LYS 61 4.014 26.007 0.789 433 HG3 LYS 61 HG3 LYS 61 4.057 25.213 2.363 434 HD2 LYS 61 HD2 LYS 61 6.356 25.677 2.642 435 HD3 LYS 61 HD3 LYS 61 6.551 26.117 0.945 436 HE2 LYS 61 HE2 LYS 61 4.901 27.635 2.964 437 HE3 LYS 61 HE3 LYS 61 6.523 28.079 2.435 438 HZ1 LYS 61 HZ1 LYS 61 5.629 29.153 0.739 439 HZ2 LYS 61 HZ2 LYS 61 4.942 27.719 0.161 440 HZ3 LYS 61 HZ3 LYS 61 4.073 28.702 1.229 441 H VAL 62 H VAL 62 6.420 23.947 3.933 442 HA VAL 62 HA VAL 62 4.134 22.673 5.294 443 HB VAL 62 HB VAL 62 5.657 22.782 7.353 444 HG11 VAL 62 HG11 VAL 62 7.023 20.732 6.312 445 HG12 VAL 62 HG12 VAL 62 5.317 20.624 6.747 446 HG13 VAL 62 HG13 VAL 62 5.784 20.906 5.069 447 HG21 VAL 62 HG21 VAL 62 7.315 24.184 5.735 448 HG22 VAL 62 HG22 VAL 62 7.838 23.317 7.179 449 HG23 VAL 62 HG23 VAL 62 8.002 22.566 5.592 450 HA PRO 63 HA PRO 63 2.846 26.586 6.811 451 HB2 PRO 63 HB2 PRO 63 1.893 25.926 9.266 452 HB3 PRO 63 HB3 PRO 63 1.061 25.500 7.767 453 HG2 PRO 63 HG2 PRO 63 2.840 23.818 9.490 454 HG3 PRO 63 HG3 PRO 63 1.307 23.388 8.709 455 HD2 PRO 63 HD2 PRO 63 3.713 22.677 7.688 456 HD3 PRO 63 HD3 PRO 63 2.306 23.027 6.664 457 H GLY 64 H GLY 64 3.935 28.271 7.606 458 HA2 GLY 64 HA2 GLY 64 4.922 28.788 10.035 459 HA3 GLY 64 HA3 GLY 64 6.208 27.800 9.359 460 H LYS 65 H LYS 65 7.760 28.805 8.262 461 HA LYS 65 HA LYS 65 7.301 31.058 6.588 462 HB2 LYS 65 HB2 LYS 65 7.370 31.847 9.139 463 HB3 LYS 65 HB3 LYS 65 9.103 31.799 8.838 464 HG2 LYS 65 HG2 LYS 65 7.674 33.144 6.709 465 HG3 LYS 65 HG3 LYS 65 7.385 33.890 8.282 466 HD2 LYS 65 HD2 LYS 65 9.990 33.644 8.518 467 HD3 LYS 65 HD3 LYS 65 9.930 33.590 6.755 468 HE2 LYS 65 HE2 LYS 65 8.837 35.778 8.522 469 HE3 LYS 65 HE3 LYS 65 10.289 35.866 7.525 470 HZ1 LYS 65 HZ1 LYS 65 8.793 36.845 6.143 471 HZ2 LYS 65 HZ2 LYS 65 8.575 35.240 5.657 472 HZ3 LYS 65 HZ3 LYS 65 7.476 35.957 6.726 473 H CYS 66 H CYS 66 9.082 31.554 5.301 474 HA CYS 66 HA CYS 66 11.070 29.479 5.147 475 HB2 CYS 66 HB2 CYS 66 10.164 30.322 3.081 476 HB3 CYS 66 HB3 CYS 66 10.601 31.973 3.507 477 H HIS 67 H HIS 67 13.234 29.621 5.559 478 HA HIS 67 HA HIS 67 15.115 30.299 6.652 479 HB2 HIS 67 HB2 HIS 67 14.198 32.800 5.266 480 HB3 HIS 67 HB3 HIS 67 15.624 32.829 6.300 481 HD1 HIS 67 HD1 HIS 67 16.964 33.404 4.084 482 HD2 HIS 67 HD2 HIS 67 15.269 29.614 4.219 483 HE1 HIS 67 HE1 HIS 67 18.098 32.095 2.260 Start of MODEL 15 1 H1 GLY 1 H GLY 1 2.654 -2.240 -3.617 2 HA2 GLY 1 HA2 GLY 1 0.962 -0.720 -3.930 3 HA3 GLY 1 HA3 GLY 1 0.791 -0.716 -2.181 4 H GLU 2 H GLU 2 1.763 1.047 -4.912 5 HA GLU 2 HA GLU 2 3.505 2.895 -3.594 6 HB2 GLU 2 HB2 GLU 2 3.281 2.326 -6.136 7 HB3 GLU 2 HB3 GLU 2 2.017 3.549 -6.113 8 HG2 GLU 2 HG2 GLU 2 3.943 4.686 -6.773 9 HG3 GLU 2 HG3 GLU 2 3.742 5.092 -5.070 10 H GLU 3 H GLU 3 3.069 5.110 -3.141 11 HA GLU 3 HA GLU 3 0.280 5.940 -3.016 12 HB2 GLU 3 HB2 GLU 3 0.623 6.652 -0.598 13 HB3 GLU 3 HB3 GLU 3 0.415 4.930 -0.887 14 HG2 GLU 3 HG2 GLU 3 2.891 4.687 -0.814 15 HG3 GLU 3 HG3 GLU 3 2.991 6.382 -0.340 16 H VAL 4 H VAL 4 0.199 7.919 -3.822 17 HA VAL 4 HA VAL 4 2.232 9.877 -3.057 18 HB VAL 4 HB VAL 4 2.301 10.688 -5.460 19 HG11 VAL 4 HG11 VAL 4 4.291 9.686 -5.603 20 HG12 VAL 4 HG12 VAL 4 3.863 8.873 -4.098 21 HG13 VAL 4 HG13 VAL 4 3.571 8.077 -5.644 22 HG21 VAL 4 HG21 VAL 4 0.404 9.498 -6.349 23 HG22 VAL 4 HG22 VAL 4 1.861 8.957 -7.183 24 HG23 VAL 4 HG23 VAL 4 1.133 7.947 -5.933 25 H ARG 5 H ARG 5 1.573 12.068 -3.343 26 HA ARG 5 HA ARG 5 -1.251 12.493 -3.997 27 HB2 ARG 5 HB2 ARG 5 -1.779 13.563 -1.993 28 HB3 ARG 5 HB3 ARG 5 -0.814 12.190 -1.468 29 HG2 ARG 5 HG2 ARG 5 0.193 15.007 -1.812 30 HG3 ARG 5 HG3 ARG 5 -0.219 14.238 -0.279 31 HD2 ARG 5 HD2 ARG 5 1.488 12.422 -1.079 32 HD3 ARG 5 HD3 ARG 5 2.084 13.726 -2.106 33 HE ARG 5 HE ARG 5 3.061 14.632 -0.262 34 HH11 ARG 5 HH11 ARG 5 0.450 12.577 0.776 35 HH12 ARG 5 HH12 ARG 5 0.783 12.785 2.464 36 HH21 ARG 5 HH21 ARG 5 3.509 14.915 1.957 37 HH22 ARG 5 HH22 ARG 5 2.522 14.116 3.133 38 H ASP 6 H ASP 6 -1.780 14.667 -4.548 39 HA ASP 6 HA ASP 6 0.434 16.066 -5.782 40 HB2 ASP 6 HB2 ASP 6 -1.430 17.590 -6.607 41 HB3 ASP 6 HB3 ASP 6 -1.503 15.913 -7.141 42 H ALA 7 H ALA 7 1.520 17.659 -4.853 43 HA ALA 7 HA ALA 7 0.196 19.610 -3.188 44 HB1 ALA 7 HB1 ALA 7 0.660 18.679 -1.225 45 HB2 ALA 7 HB2 ALA 7 1.594 17.397 -1.993 46 HB3 ALA 7 HB3 ALA 7 2.372 18.923 -1.575 47 H TYR 8 H TYR 8 1.711 21.352 -2.508 48 HA TYR 8 HA TYR 8 3.414 22.051 -4.709 49 HB2 TYR 8 HB2 TYR 8 2.368 23.403 -2.287 50 HB3 TYR 8 HB3 TYR 8 3.888 24.016 -2.931 51 HD1 TYR 8 HD1 TYR 8 0.301 23.799 -3.406 52 HD2 TYR 8 HD2 TYR 8 3.972 24.920 -5.243 53 HE1 TYR 8 HE1 TYR 8 -0.942 25.090 -5.090 54 HE2 TYR 8 HE2 TYR 8 2.738 26.215 -6.931 55 HH TYR 8 HH TYR 8 0.490 27.342 -7.106 56 H ILE 9 H ILE 9 5.392 21.239 -4.893 57 HA ILE 9 HA ILE 9 6.868 20.125 -2.754 58 HB ILE 9 HB ILE 9 7.117 19.534 -5.195 59 HG12 ILE 9 HG12 ILE 9 9.629 20.239 -3.662 60 HG13 ILE 9 HG13 ILE 9 8.698 18.756 -3.487 61 HG21 ILE 9 HG21 ILE 9 9.203 21.500 -5.655 62 HG22 ILE 9 HG22 ILE 9 7.877 20.990 -6.702 63 HG23 ILE 9 HG23 ILE 9 7.609 22.235 -5.481 64 HD11 ILE 9 HD11 ILE 9 9.845 17.813 -5.120 65 HD12 ILE 9 HD12 ILE 9 9.388 19.105 -6.230 66 HD13 ILE 9 HD13 ILE 9 10.835 19.269 -5.233 67 H ALA 10 H ALA 10 8.767 20.853 -1.749 68 HA ALA 10 HA ALA 10 9.594 23.614 -2.162 69 HB1 ALA 10 HB1 ALA 10 8.090 24.202 -0.543 70 HB2 ALA 10 HB2 ALA 10 8.186 22.641 0.270 71 HB3 ALA 10 HB3 ALA 10 9.487 23.816 0.463 72 H GLN 11 H GLN 11 11.724 23.910 -1.805 73 HA GLN 11 HA GLN 11 13.498 21.815 -1.650 74 HB2 GLN 11 HB2 GLN 11 15.154 23.593 -0.827 75 HB3 GLN 11 HB3 GLN 11 14.373 23.865 -2.379 76 HG2 GLN 11 HG2 GLN 11 12.817 25.410 -1.367 77 HG3 GLN 11 HG3 GLN 11 13.497 25.087 0.227 78 HE21 GLN 11 HE21 GLN 11 13.768 26.875 -2.664 79 HE22 GLN 11 HE22 GLN 11 15.187 27.769 -2.252 80 HA PRO 12 HA PRO 12 13.753 20.459 2.512 81 HB2 PRO 12 HB2 PRO 12 16.403 19.930 2.769 82 HB3 PRO 12 HB3 PRO 12 15.313 18.926 1.807 83 HG2 PRO 12 HG2 PRO 12 17.202 21.067 0.910 84 HG3 PRO 12 HG3 PRO 12 16.889 19.478 0.190 85 HD2 PRO 12 HD2 PRO 12 15.805 21.759 -0.787 86 HD3 PRO 12 HD3 PRO 12 14.970 20.195 -0.867 87 H HIS 13 H HIS 13 15.262 23.323 1.516 88 HA HIS 13 HA HIS 13 16.247 23.985 4.185 89 HB2 HIS 13 HB2 HIS 13 16.577 25.195 1.464 90 HB3 HIS 13 HB3 HIS 13 16.868 26.181 2.894 91 HD1 HIS 13 HD1 HIS 13 18.246 23.949 4.613 92 HD2 HIS 13 HD2 HIS 13 19.186 24.880 0.674 93 HE1 HIS 13 HE1 HIS 13 20.609 23.155 4.279 94 H ASN 14 H ASN 14 13.409 23.673 3.747 95 HA ASN 14 HA ASN 14 11.414 24.719 4.110 96 HB2 ASN 14 HB2 ASN 14 13.023 25.244 6.197 97 HB3 ASN 14 HB3 ASN 14 12.721 26.892 5.655 98 HD21 ASN 14 HD21 ASN 14 10.133 26.682 4.756 99 HD22 ASN 14 HD22 ASN 14 9.089 26.349 6.091 100 H CYS 15 H CYS 15 11.438 25.345 1.804 101 HA CYS 15 HA CYS 15 10.712 28.057 1.488 102 HB2 CYS 15 HB2 CYS 15 13.480 27.588 1.259 103 HB3 CYS 15 HB3 CYS 15 12.886 27.790 -0.385 104 H VAL 16 H VAL 16 10.076 28.563 -0.743 105 HA VAL 16 HA VAL 16 8.963 26.210 -2.019 106 HB VAL 16 HB VAL 16 7.760 27.784 -3.457 107 HG11 VAL 16 HG11 VAL 16 6.227 28.004 -1.860 108 HG12 VAL 16 HG12 VAL 16 7.442 27.448 -0.709 109 HG13 VAL 16 HG13 VAL 16 7.217 29.175 -0.989 110 HG21 VAL 16 HG21 VAL 16 7.967 30.233 -2.977 111 HG22 VAL 16 HG22 VAL 16 9.408 29.864 -2.029 112 HG23 VAL 16 HG23 VAL 16 9.376 29.516 -3.758 113 H TYR 17 H TYR 17 9.667 25.283 -3.841 114 HA TYR 17 HA TYR 17 12.202 25.808 -4.886 115 HB2 TYR 17 HB2 TYR 17 9.911 24.095 -5.629 116 HB3 TYR 17 HB3 TYR 17 11.029 24.474 -6.933 117 HD1 TYR 17 HD1 TYR 17 13.549 24.063 -6.437 118 HD2 TYR 17 HD2 TYR 17 10.378 22.333 -4.189 119 HE1 TYR 17 HE1 TYR 17 15.079 22.309 -5.639 120 HE2 TYR 17 HE2 TYR 17 11.900 20.576 -3.384 121 HH TYR 17 HH TYR 17 15.283 20.443 -4.454 122 H HIS 18 H HIS 18 12.795 27.612 -5.889 123 HA HIS 18 HA HIS 18 10.904 29.148 -7.457 124 HB2 HIS 18 HB2 HIS 18 12.758 30.059 -5.876 125 HB3 HIS 18 HB3 HIS 18 13.833 29.773 -7.242 126 HD1 HIS 18 HD1 HIS 18 13.816 31.469 -9.102 127 HD2 HIS 18 HD2 HIS 18 10.728 32.035 -6.380 128 HE1 HIS 18 HE1 HIS 18 12.781 33.678 -9.710 129 H CYS 19 H CYS 19 10.471 28.423 -9.441 130 HA CYS 19 HA CYS 19 12.681 27.372 -11.073 131 HB2 CYS 19 HB2 CYS 19 10.963 26.299 -12.445 132 HB3 CYS 19 HB3 CYS 19 10.784 25.839 -10.755 133 H PHE 20 H PHE 20 13.254 28.327 -12.951 134 HA PHE 20 HA PHE 20 12.488 31.006 -13.429 135 HB2 PHE 20 HB2 PHE 20 14.104 29.013 -15.007 136 HB3 PHE 20 HB3 PHE 20 13.784 30.633 -15.615 137 HD1 PHE 20 HD1 PHE 20 14.191 32.479 -13.619 138 HD2 PHE 20 HD2 PHE 20 16.179 28.746 -14.095 139 HE1 PHE 20 HE1 PHE 20 16.106 33.340 -12.337 140 HE2 PHE 20 HE2 PHE 20 18.097 29.600 -12.813 141 HZ PHE 20 HZ PHE 20 18.063 31.900 -11.931 142 H ARG 21 H ARG 21 11.569 27.940 -14.901 143 HA ARG 21 HA ARG 21 9.196 29.177 -16.006 144 HB2 ARG 21 HB2 ARG 21 9.634 28.219 -18.285 145 HB3 ARG 21 HB3 ARG 21 10.673 29.569 -17.843 146 HG2 ARG 21 HG2 ARG 21 12.412 27.883 -17.181 147 HG3 ARG 21 HG3 ARG 21 11.381 26.649 -17.906 148 HD2 ARG 21 HD2 ARG 21 12.161 29.080 -19.465 149 HD3 ARG 21 HD3 ARG 21 13.277 27.724 -19.315 150 HE ARG 21 HE ARG 21 10.755 26.775 -20.126 151 HH11 ARG 21 HH11 ARG 21 13.462 28.608 -21.324 152 HH12 ARG 21 HH12 ARG 21 13.206 28.153 -22.976 153 HH21 ARG 21 HH21 ARG 21 10.408 26.169 -22.297 154 HH22 ARG 21 HH22 ARG 21 11.467 26.767 -23.528 155 H ASP 22 H ASP 22 7.775 27.496 -17.064 156 HA ASP 22 HA ASP 22 7.240 25.416 -15.315 157 HB2 ASP 22 HB2 ASP 22 6.471 25.873 -18.190 158 HB3 ASP 22 HB3 ASP 22 5.922 24.452 -17.307 159 H SER 23 H SER 23 9.240 25.454 -18.207 160 HA SER 23 HA SER 23 9.613 22.709 -18.540 161 HB2 SER 23 HB2 SER 23 11.409 25.055 -19.161 162 HB3 SER 23 HB3 SER 23 11.815 23.400 -19.612 163 HG SER 23 HG SER 23 9.787 25.069 -20.581 164 H TYR 24 H TYR 24 11.223 25.005 -16.413 165 HA TYR 24 HA TYR 24 13.304 23.303 -15.553 166 HB2 TYR 24 HB2 TYR 24 13.223 25.795 -15.248 167 HB3 TYR 24 HB3 TYR 24 12.031 25.546 -13.976 168 HD1 TYR 24 HD1 TYR 24 12.715 24.169 -11.948 169 HD2 TYR 24 HD2 TYR 24 15.520 25.643 -14.788 170 HE1 TYR 24 HE1 TYR 24 14.523 23.873 -10.308 171 HE2 TYR 24 HE2 TYR 24 17.336 25.348 -13.156 172 HH TYR 24 HH TYR 24 17.835 24.895 -11.018 173 H CYS 25 H CYS 25 10.283 24.220 -13.888 174 HA CYS 25 HA CYS 25 10.541 22.406 -11.769 175 HB2 CYS 25 HB2 CYS 25 8.989 24.238 -11.603 176 HB3 CYS 25 HB3 CYS 25 8.087 23.666 -13.002 177 H ASN 26 H ASN 26 9.158 22.052 -14.980 178 HA ASN 26 HA ASN 26 7.769 19.669 -14.667 179 HB2 ASN 26 HB2 ASN 26 7.471 20.746 -16.726 180 HB3 ASN 26 HB3 ASN 26 9.203 20.904 -17.001 181 HD21 ASN 26 HD21 ASN 26 7.279 18.089 -16.070 182 HD22 ASN 26 HD22 ASN 26 7.702 17.127 -17.442 183 H ASP 27 H ASP 27 11.116 20.042 -15.849 184 HA ASP 27 HA ASP 27 11.663 17.248 -15.688 185 HB2 ASP 27 HB2 ASP 27 12.830 19.299 -17.008 186 HB3 ASP 27 HB3 ASP 27 13.937 19.144 -15.647 187 H LEU 28 H LEU 28 12.186 19.998 -13.568 188 HA LEU 28 HA LEU 28 13.965 18.841 -11.751 189 HB2 LEU 28 HB2 LEU 28 13.689 21.124 -11.509 190 HB3 LEU 28 HB3 LEU 28 11.931 21.020 -11.580 191 HG LEU 28 HG LEU 28 11.876 20.132 -9.313 192 HD11 LEU 28 HD11 LEU 28 14.610 19.580 -9.816 193 HD12 LEU 28 HD12 LEU 28 14.521 20.682 -8.441 194 HD13 LEU 28 HD13 LEU 28 13.642 19.152 -8.405 195 HD21 LEU 28 HD21 LEU 28 13.660 22.461 -8.968 196 HD22 LEU 28 HD22 LEU 28 12.250 22.695 -10.001 197 HD23 LEU 28 HD23 LEU 28 12.043 22.162 -8.332 198 H CYS 29 H CYS 29 10.473 18.606 -12.030 199 HA CYS 29 HA CYS 29 10.038 17.347 -9.519 200 HB2 CYS 29 HB2 CYS 29 8.436 17.766 -12.004 201 HB3 CYS 29 HB3 CYS 29 7.885 16.557 -10.848 202 H ILE 30 H ILE 30 10.750 16.181 -12.755 203 HA ILE 30 HA ILE 30 10.168 13.467 -12.381 204 HB ILE 30 HB ILE 30 12.337 14.633 -14.131 205 HG12 ILE 30 HG12 ILE 30 9.472 13.989 -14.855 206 HG13 ILE 30 HG13 ILE 30 10.048 15.609 -14.478 207 HG21 ILE 30 HG21 ILE 30 11.410 11.939 -13.653 208 HG22 ILE 30 HG22 ILE 30 11.218 12.397 -15.346 209 HG23 ILE 30 HG23 ILE 30 12.802 12.505 -14.578 210 HD11 ILE 30 HD11 ILE 30 10.066 15.545 -16.789 211 HD12 ILE 30 HD12 ILE 30 11.745 15.208 -16.365 212 HD13 ILE 30 HD13 ILE 30 10.673 13.890 -16.840 213 H LYS 31 H LYS 31 13.170 15.281 -11.848 214 HA LYS 31 HA LYS 31 14.837 13.156 -11.176 215 HB2 LYS 31 HB2 LYS 31 15.675 15.418 -11.552 216 HB3 LYS 31 HB3 LYS 31 14.845 15.987 -10.109 217 HG2 LYS 31 HG2 LYS 31 16.781 13.761 -9.802 218 HG3 LYS 31 HG3 LYS 31 17.417 15.379 -10.106 219 HD2 LYS 31 HD2 LYS 31 15.776 16.075 -8.201 220 HD3 LYS 31 HD3 LYS 31 15.838 14.363 -7.778 221 HE2 LYS 31 HE2 LYS 31 18.331 15.986 -8.187 222 HE3 LYS 31 HE3 LYS 31 17.500 15.940 -6.634 223 HZ1 LYS 31 HZ1 LYS 31 17.745 13.516 -6.647 224 HZ2 LYS 31 HZ2 LYS 31 18.612 13.607 -8.098 225 HZ3 LYS 31 HZ3 LYS 31 19.244 14.300 -6.690 226 H HIS 32 H HIS 32 12.484 14.902 -9.235 227 HA HIS 32 HA HIS 32 13.254 13.703 -6.755 228 HB2 HIS 32 HB2 HIS 32 10.866 15.307 -7.642 229 HB3 HIS 32 HB3 HIS 32 10.954 14.600 -6.031 230 HD1 HIS 32 HD1 HIS 32 11.451 16.475 -4.497 231 HD2 HIS 32 HD2 HIS 32 13.741 16.658 -7.959 232 HE1 HIS 32 HE1 HIS 32 13.015 18.418 -4.167 233 H GLY 33 H GLY 33 11.051 12.899 -9.337 234 HA2 GLY 33 HA2 GLY 33 10.592 10.475 -9.545 235 HA3 GLY 33 HA3 GLY 33 10.255 10.489 -7.820 236 H ALA 34 H ALA 34 9.220 13.005 -10.035 237 HA ALA 34 HA ALA 34 6.433 12.200 -9.522 238 HB1 ALA 34 HB1 ALA 34 6.788 14.902 -10.531 239 HB2 ALA 34 HB2 ALA 34 5.924 14.330 -9.105 240 HB3 ALA 34 HB3 ALA 34 7.662 14.620 -9.025 241 H GLU 35 H GLU 35 4.873 12.735 -11.258 242 HA GLU 35 HA GLU 35 5.728 11.633 -13.732 243 HB2 GLU 35 HB2 GLU 35 3.479 11.229 -13.042 244 HB3 GLU 35 HB3 GLU 35 3.156 12.948 -12.865 245 HG2 GLU 35 HG2 GLU 35 3.098 13.290 -15.183 246 HG3 GLU 35 HG3 GLU 35 3.855 11.733 -15.514 247 H SER 36 H SER 36 4.859 14.909 -12.696 248 HA SER 36 HA SER 36 6.557 16.075 -14.686 249 HB2 SER 36 HB2 SER 36 4.641 17.430 -15.705 250 HB3 SER 36 HB3 SER 36 4.765 15.743 -16.202 251 HG SER 36 HG SER 36 2.865 16.995 -14.584 252 H GLY 37 H GLY 37 5.983 18.608 -14.730 253 HA2 GLY 37 HA2 GLY 37 5.047 19.581 -12.165 254 HA3 GLY 37 HA3 GLY 37 6.774 19.762 -12.433 255 H GLU 38 H GLU 38 4.549 21.746 -12.150 256 HA GLU 38 HA GLU 38 5.265 23.341 -14.496 257 HB2 GLU 38 HB2 GLU 38 2.971 24.073 -14.837 258 HB3 GLU 38 HB3 GLU 38 3.078 22.324 -14.988 259 HG2 GLU 38 HG2 GLU 38 2.428 22.409 -12.436 260 HG3 GLU 38 HG3 GLU 38 1.761 23.972 -12.902 261 H CYS 39 H CYS 39 5.000 25.628 -14.194 262 HA CYS 39 HA CYS 39 5.525 26.419 -11.462 263 HB2 CYS 39 HB2 CYS 39 5.596 27.855 -14.108 264 HB3 CYS 39 HB3 CYS 39 5.767 28.723 -12.585 265 H LYS 40 H LYS 40 4.365 27.999 -10.303 266 HA LYS 40 HA LYS 40 1.806 28.905 -11.321 267 HB2 LYS 40 HB2 LYS 40 2.090 26.777 -9.268 268 HB3 LYS 40 HB3 LYS 40 0.871 28.009 -8.972 269 HG2 LYS 40 HG2 LYS 40 -0.214 27.498 -11.065 270 HG3 LYS 40 HG3 LYS 40 1.055 26.341 -11.473 271 HD2 LYS 40 HD2 LYS 40 0.412 25.149 -9.302 272 HD3 LYS 40 HD3 LYS 40 -1.043 26.148 -9.330 273 HE2 LYS 40 HE2 LYS 40 -0.153 24.317 -11.556 274 HE3 LYS 40 HE3 LYS 40 -1.375 23.920 -10.348 275 HZ1 LYS 40 HZ1 LYS 40 -2.708 24.702 -11.987 276 HZ2 LYS 40 HZ2 LYS 40 -2.383 26.177 -11.225 277 HZ3 LYS 40 HZ3 LYS 40 -1.537 25.742 -12.625 278 H TRP 41 H TRP 41 1.631 30.963 -10.758 279 HA TRP 41 HA TRP 41 3.291 32.070 -8.677 280 HB2 TRP 41 HB2 TRP 41 2.668 33.157 -10.939 281 HB3 TRP 41 HB3 TRP 41 1.148 33.578 -10.154 282 HD1 TRP 41 HD1 TRP 41 4.902 33.946 -9.182 283 HE1 TRP 41 HE1 TRP 41 5.229 36.307 -8.212 284 HE3 TRP 41 HE3 TRP 41 0.098 35.652 -9.561 285 HZ2 TRP 41 HZ2 TRP 41 3.658 38.590 -7.677 286 HZ3 TRP 41 HZ3 TRP 41 -0.406 37.936 -8.798 287 HH2 TRP 41 HH2 TRP 41 1.338 39.373 -7.875 288 H PHE 42 H PHE 42 2.540 31.260 -6.733 289 HA PHE 42 HA PHE 42 -0.256 31.599 -6.023 290 HB2 PHE 42 HB2 PHE 42 0.948 29.545 -5.362 291 HB3 PHE 42 HB3 PHE 42 2.046 30.515 -4.387 292 HD1 PHE 42 HD1 PHE 42 -1.663 30.496 -4.790 293 HD2 PHE 42 HD2 PHE 42 1.664 30.130 -2.160 294 HE1 PHE 42 HE1 PHE 42 -3.200 30.303 -2.878 295 HE2 PHE 42 HE2 PHE 42 0.131 29.936 -0.244 296 HZ PHE 42 HZ PHE 42 -2.303 30.021 -0.602 297 H THR 43 H THR 43 2.880 32.971 -5.237 298 HA THR 43 HA THR 43 1.504 35.170 -3.859 299 HB THR 43 HB THR 43 4.155 34.503 -2.761 300 HG1 THR 43 HG1 THR 43 3.678 32.521 -2.225 301 HG21 THR 43 HG21 THR 43 2.313 34.692 -0.714 302 HG22 THR 43 HG22 THR 43 3.291 36.014 -1.351 303 HG23 THR 43 HG23 THR 43 1.653 35.759 -1.955 304 H SER 44 H SER 44 3.300 36.946 -3.374 305 HA SER 44 HA SER 44 4.402 37.608 -5.979 306 HB2 SER 44 HB2 SER 44 4.800 39.834 -5.003 307 HB3 SER 44 HB3 SER 44 3.132 39.318 -4.755 308 HG SER 44 HG SER 44 3.594 39.839 -2.757 309 H SER 45 H SER 45 5.594 35.513 -4.218 310 HA SER 45 HA SER 45 8.242 36.699 -3.746 311 HB2 SER 45 HB2 SER 45 8.502 35.302 -1.980 312 HB3 SER 45 HB3 SER 45 6.746 35.156 -2.063 313 HG SER 45 HG SER 45 7.164 33.113 -2.330 314 H GLY 46 H GLY 46 6.864 35.558 -6.285 315 HA2 GLY 46 HA2 GLY 46 8.230 34.944 -8.184 316 HA3 GLY 46 HA3 GLY 46 9.202 33.958 -7.103 317 H ASN 47 H ASN 47 8.067 33.057 -9.536 318 HA ASN 47 HA ASN 47 5.660 31.622 -9.109 319 HB2 ASN 47 HB2 ASN 47 7.851 31.101 -11.130 320 HB3 ASN 47 HB3 ASN 47 6.212 30.461 -11.197 321 HD21 ASN 47 HD21 ASN 47 4.569 31.735 -11.912 322 HD22 ASN 47 HD22 ASN 47 4.803 33.315 -12.571 323 H ALA 48 H ALA 48 5.330 29.836 -7.971 324 HA ALA 48 HA ALA 48 7.577 28.363 -6.894 325 HB1 ALA 48 HB1 ALA 48 5.231 27.063 -6.138 326 HB2 ALA 48 HB2 ALA 48 6.161 28.221 -5.187 327 HB3 ALA 48 HB3 ALA 48 4.814 28.776 -6.180 328 H CYS 49 H CYS 49 7.571 25.968 -6.923 329 HA CYS 49 HA CYS 49 6.894 25.013 -9.615 330 HB2 CYS 49 HB2 CYS 49 9.230 24.784 -9.109 331 HB3 CYS 49 HB3 CYS 49 8.877 24.021 -7.563 332 H TRP 50 H TRP 50 5.202 23.727 -9.856 333 HA TRP 50 HA TRP 50 4.085 22.388 -7.504 334 HB2 TRP 50 HB2 TRP 50 2.436 23.659 -8.629 335 HB3 TRP 50 HB3 TRP 50 2.958 23.085 -10.211 336 HD1 TRP 50 HD1 TRP 50 2.184 20.603 -10.932 337 HE1 TRP 50 HE1 TRP 50 0.220 19.142 -10.137 338 HE3 TRP 50 HE3 TRP 50 1.032 23.074 -6.607 339 HZ2 TRP 50 HZ2 TRP 50 -1.579 19.048 -7.964 340 HZ3 TRP 50 HZ3 TRP 50 -0.824 22.233 -5.227 341 HH2 TRP 50 HH2 TRP 50 -2.102 20.262 -5.894 342 H CYS 51 H CYS 51 3.821 20.199 -7.361 343 HA CYS 51 HA CYS 51 4.912 18.583 -9.570 344 HB2 CYS 51 HB2 CYS 51 5.417 18.386 -6.612 345 HB3 CYS 51 HB3 CYS 51 5.607 16.981 -7.656 346 H VAL 52 H VAL 52 3.773 16.816 -10.170 347 HA VAL 52 HA VAL 52 1.177 16.425 -8.875 348 HB VAL 52 HB VAL 52 1.086 16.776 -11.268 349 HG11 VAL 52 HG11 VAL 52 3.159 14.632 -11.302 350 HG12 VAL 52 HG12 VAL 52 2.070 14.799 -12.680 351 HG13 VAL 52 HG13 VAL 52 3.093 16.152 -12.196 352 HG21 VAL 52 HG21 VAL 52 -0.241 14.859 -9.952 353 HG22 VAL 52 HG22 VAL 52 -0.488 15.193 -11.665 354 HG23 VAL 52 HG23 VAL 52 0.562 13.867 -11.168 355 H LYS 53 H LYS 53 0.447 14.413 -8.184 356 HA LYS 53 HA LYS 53 0.772 12.524 -6.910 357 HB2 LYS 53 HB2 LYS 53 1.437 10.607 -8.267 358 HB3 LYS 53 HB3 LYS 53 0.364 11.663 -9.175 359 HG2 LYS 53 HG2 LYS 53 2.073 12.424 -10.555 360 HG3 LYS 53 HG3 LYS 53 3.337 11.898 -9.437 361 HD2 LYS 53 HD2 LYS 53 1.779 9.631 -10.187 362 HD3 LYS 53 HD3 LYS 53 2.248 10.501 -11.650 363 HE2 LYS 53 HE2 LYS 53 4.591 10.558 -10.406 364 HE3 LYS 53 HE3 LYS 53 3.932 9.122 -9.625 365 HZ1 LYS 53 HZ1 LYS 53 4.321 9.549 -12.535 366 HZ2 LYS 53 HZ2 LYS 53 5.142 8.449 -11.546 367 HZ3 LYS 53 HZ3 LYS 53 3.498 8.225 -11.878 368 H LEU 54 H LEU 54 2.694 14.354 -6.203 369 HA LEU 54 HA LEU 54 5.332 13.275 -6.351 370 HB2 LEU 54 HB2 LEU 54 4.469 15.711 -5.872 371 HB3 LEU 54 HB3 LEU 54 4.508 15.163 -4.197 372 HG LEU 54 HG LEU 54 6.904 14.685 -4.416 373 HD11 LEU 54 HD11 LEU 54 6.331 14.908 -7.192 374 HD12 LEU 54 HD12 LEU 54 7.527 16.132 -6.766 375 HD13 LEU 54 HD13 LEU 54 7.838 14.434 -6.408 376 HD21 LEU 54 HD21 LEU 54 6.794 16.753 -3.521 377 HD22 LEU 54 HD22 LEU 54 7.465 17.231 -5.080 378 HD23 LEU 54 HD23 LEU 54 5.730 17.364 -4.788 379 HA PRO 55 HA PRO 55 4.977 10.241 -3.156 380 HB2 PRO 55 HB2 PRO 55 7.631 9.799 -2.790 381 HB3 PRO 55 HB3 PRO 55 6.739 9.186 -4.187 382 HG2 PRO 55 HG2 PRO 55 8.486 11.607 -3.970 383 HG3 PRO 55 HG3 PRO 55 8.399 10.403 -5.268 384 HD2 PRO 55 HD2 PRO 55 7.194 12.821 -5.441 385 HD3 PRO 55 HD3 PRO 55 6.527 11.365 -6.207 386 H LYS 56 H LYS 56 5.105 10.121 -0.942 387 HA LYS 56 HA LYS 56 5.317 12.488 0.532 388 HB2 LYS 56 HB2 LYS 56 5.497 9.622 1.483 389 HB3 LYS 56 HB3 LYS 56 5.259 11.016 2.529 390 HG2 LYS 56 HG2 LYS 56 3.193 11.472 1.034 391 HG3 LYS 56 HG3 LYS 56 3.372 9.778 0.575 392 HD2 LYS 56 HD2 LYS 56 3.455 10.415 3.469 393 HD3 LYS 56 HD3 LYS 56 1.896 10.558 2.656 394 HE2 LYS 56 HE2 LYS 56 3.499 8.114 2.144 395 HE3 LYS 56 HE3 LYS 56 2.745 8.275 3.729 396 HZ1 LYS 56 HZ1 LYS 56 0.873 8.965 1.752 397 HZ2 LYS 56 HZ2 LYS 56 1.556 7.473 1.341 398 HZ3 LYS 56 HZ3 LYS 56 0.820 7.679 2.850 399 H SER 57 H SER 57 7.693 10.064 -0.286 400 HA SER 57 HA SER 57 9.662 10.525 1.592 401 HB2 SER 57 HB2 SER 57 10.217 8.784 0.190 402 HB3 SER 57 HB3 SER 57 9.678 9.636 -1.257 403 HG SER 57 HG SER 57 11.596 10.508 -1.467 404 H GLU 58 H GLU 58 8.822 12.420 -1.247 405 HA GLU 58 HA GLU 58 11.087 14.175 -1.011 406 HB2 GLU 58 HB2 GLU 58 8.548 14.378 -2.636 407 HB3 GLU 58 HB3 GLU 58 9.881 15.520 -2.739 408 HG2 GLU 58 HG2 GLU 58 10.110 12.576 -3.312 409 HG3 GLU 58 HG3 GLU 58 9.872 13.822 -4.536 410 HA PRO 59 HA PRO 59 9.541 17.104 1.868 411 HB2 PRO 59 HB2 PRO 59 10.615 19.405 0.910 412 HB3 PRO 59 HB3 PRO 59 11.578 18.157 1.710 413 HG2 PRO 59 HG2 PRO 59 11.220 18.690 -1.215 414 HG3 PRO 59 HG3 PRO 59 12.700 18.295 -0.321 415 HD2 PRO 59 HD2 PRO 59 11.331 16.454 -1.760 416 HD3 PRO 59 HD3 PRO 59 12.225 16.039 -0.283 417 H ILE 60 H ILE 60 8.161 18.975 2.127 418 HA ILE 60 HA ILE 60 6.744 19.934 -0.224 419 HB ILE 60 HB ILE 60 4.520 19.466 0.859 420 HG12 ILE 60 HG12 ILE 60 6.170 17.541 2.511 421 HG13 ILE 60 HG13 ILE 60 5.387 18.993 3.124 422 HG21 ILE 60 HG21 ILE 60 6.112 17.026 0.087 423 HG22 ILE 60 HG22 ILE 60 4.362 17.228 -0.019 424 HG23 ILE 60 HG23 ILE 60 5.426 18.183 -1.052 425 HD11 ILE 60 HD11 ILE 60 4.333 16.395 2.917 426 HD12 ILE 60 HD12 ILE 60 3.527 17.860 3.475 427 HD13 ILE 60 HD13 ILE 60 3.451 17.406 1.772 428 H LYS 61 H LYS 61 5.660 21.883 0.095 429 HA LYS 61 HA LYS 61 6.730 23.685 1.892 430 HB2 LYS 61 HB2 LYS 61 5.527 24.410 -0.084 431 HB3 LYS 61 HB3 LYS 61 4.027 23.738 0.541 432 HG2 LYS 61 HG2 LYS 61 4.128 26.175 0.768 433 HG3 LYS 61 HG3 LYS 61 4.000 25.363 2.330 434 HD2 LYS 61 HD2 LYS 61 6.185 25.857 2.911 435 HD3 LYS 61 HD3 LYS 61 6.693 26.061 1.232 436 HE2 LYS 61 HE2 LYS 61 6.648 28.227 2.181 437 HE3 LYS 61 HE3 LYS 61 5.213 28.105 1.165 438 HZ1 LYS 61 HZ1 LYS 61 5.057 29.051 3.573 439 HZ2 LYS 61 HZ2 LYS 61 3.827 28.061 2.963 440 HZ3 LYS 61 HZ3 LYS 61 4.992 27.417 4.008 441 H VAL 62 H VAL 62 6.519 23.995 4.004 442 HA VAL 62 HA VAL 62 4.135 22.896 5.351 443 HB VAL 62 HB VAL 62 5.658 22.814 7.404 444 HG11 VAL 62 HG11 VAL 62 6.022 20.982 5.044 445 HG12 VAL 62 HG12 VAL 62 6.681 20.636 6.643 446 HG13 VAL 62 HG13 VAL 62 4.938 20.782 6.421 447 HG21 VAL 62 HG21 VAL 62 7.427 24.183 6.007 448 HG22 VAL 62 HG22 VAL 62 7.934 22.998 7.211 449 HG23 VAL 62 HG23 VAL 62 7.934 22.571 5.500 450 HA PRO 63 HA PRO 63 3.208 26.879 6.948 451 HB2 PRO 63 HB2 PRO 63 2.196 26.256 9.389 452 HB3 PRO 63 HB3 PRO 63 1.330 25.939 7.881 453 HG2 PRO 63 HG2 PRO 63 2.944 24.066 9.567 454 HG3 PRO 63 HG3 PRO 63 1.380 23.794 8.778 455 HD2 PRO 63 HD2 PRO 63 3.711 22.889 7.741 456 HD3 PRO 63 HD3 PRO 63 2.345 23.388 6.724 457 H GLY 64 H GLY 64 4.526 28.407 7.703 458 HA2 GLY 64 HA2 GLY 64 5.566 28.647 10.226 459 HA3 GLY 64 HA3 GLY 64 6.791 27.753 9.336 460 H LYS 65 H LYS 65 8.256 28.883 8.237 461 HA LYS 65 HA LYS 65 7.694 31.346 6.929 462 HB2 LYS 65 HB2 LYS 65 7.935 31.854 9.495 463 HB3 LYS 65 HB3 LYS 65 9.654 31.691 9.164 464 HG2 LYS 65 HG2 LYS 65 9.400 33.422 7.386 465 HG3 LYS 65 HG3 LYS 65 7.739 33.658 7.935 466 HD2 LYS 65 HD2 LYS 65 10.025 33.834 9.864 467 HD3 LYS 65 HD3 LYS 65 9.601 35.212 8.846 468 HE2 LYS 65 HE2 LYS 65 7.310 35.136 9.727 469 HE3 LYS 65 HE3 LYS 65 7.760 33.781 10.762 470 HZ1 LYS 65 HZ1 LYS 65 8.069 36.535 11.245 471 HZ2 LYS 65 HZ2 LYS 65 8.419 35.237 12.273 472 HZ3 LYS 65 HZ3 LYS 65 9.601 35.819 11.212 473 H CYS 66 H CYS 66 9.233 31.828 5.428 474 HA CYS 66 HA CYS 66 11.341 29.868 5.072 475 HB2 CYS 66 HB2 CYS 66 10.045 30.459 3.120 476 HB3 CYS 66 HB3 CYS 66 10.398 32.168 3.351 477 H HIS 67 H HIS 67 13.518 30.258 5.119 478 HA HIS 67 HA HIS 67 14.375 32.949 5.951 479 HB2 HIS 67 HB2 HIS 67 16.036 31.908 7.444 480 HB3 HIS 67 HB3 HIS 67 14.390 31.486 7.906 481 HD1 HIS 67 HD1 HIS 67 17.561 30.019 6.623 482 HD2 HIS 67 HD2 HIS 67 13.705 28.776 7.542 483 HE1 HIS 67 HE1 HIS 67 17.655 27.506 6.655 Start of MODEL 16 1 H1 GLY 1 H GLY 1 2.176 -1.362 0.067 2 HA2 GLY 1 HA2 GLY 1 2.785 -1.106 -2.597 3 HA3 GLY 1 HA3 GLY 1 1.274 -0.553 -1.889 4 H GLU 2 H GLU 2 2.179 0.770 -4.047 5 HA GLU 2 HA GLU 2 3.859 2.985 -3.387 6 HB2 GLU 2 HB2 GLU 2 3.361 1.933 -5.710 7 HB3 GLU 2 HB3 GLU 2 1.940 2.968 -5.695 8 HG2 GLU 2 HG2 GLU 2 3.797 3.989 -6.898 9 HG3 GLU 2 HG3 GLU 2 3.334 4.935 -5.484 10 H GLU 3 H GLU 3 3.227 5.214 -3.321 11 HA GLU 3 HA GLU 3 0.463 5.931 -3.034 12 HB2 GLU 3 HB2 GLU 3 0.700 6.744 -0.685 13 HB3 GLU 3 HB3 GLU 3 0.731 4.993 -0.842 14 HG2 GLU 3 HG2 GLU 3 3.201 5.071 -0.720 15 HG3 GLU 3 HG3 GLU 3 3.096 6.806 -0.429 16 H VAL 4 H VAL 4 0.258 7.928 -3.788 17 HA VAL 4 HA VAL 4 2.337 9.911 -3.263 18 HB VAL 4 HB VAL 4 2.209 10.648 -5.689 19 HG11 VAL 4 HG11 VAL 4 3.913 8.938 -4.398 20 HG12 VAL 4 HG12 VAL 4 3.479 8.021 -5.842 21 HG13 VAL 4 HG13 VAL 4 4.180 9.632 -5.997 22 HG21 VAL 4 HG21 VAL 4 1.119 7.855 -6.038 23 HG22 VAL 4 HG22 VAL 4 0.228 9.353 -6.308 24 HG23 VAL 4 HG23 VAL 4 1.603 8.948 -7.335 25 H ARG 5 H ARG 5 1.640 12.082 -3.515 26 HA ARG 5 HA ARG 5 -1.209 12.502 -4.029 27 HB2 ARG 5 HB2 ARG 5 -1.668 13.543 -1.992 28 HB3 ARG 5 HB3 ARG 5 -0.685 12.162 -1.524 29 HG2 ARG 5 HG2 ARG 5 0.312 14.984 -1.858 30 HG3 ARG 5 HG3 ARG 5 -0.049 14.192 -0.323 31 HD2 ARG 5 HD2 ARG 5 1.627 12.384 -1.245 32 HD3 ARG 5 HD3 ARG 5 2.203 13.736 -2.219 33 HE ARG 5 HE ARG 5 3.220 14.549 -0.353 34 HH11 ARG 5 HH11 ARG 5 0.618 12.458 0.637 35 HH12 ARG 5 HH12 ARG 5 0.983 12.588 2.326 36 HH21 ARG 5 HH21 ARG 5 3.710 14.729 1.867 37 HH22 ARG 5 HH22 ARG 5 2.740 13.882 3.025 38 H ASP 6 H ASP 6 -1.760 14.654 -4.581 39 HA ASP 6 HA ASP 6 0.415 16.093 -5.835 40 HB2 ASP 6 HB2 ASP 6 -1.370 17.519 -6.768 41 HB3 ASP 6 HB3 ASP 6 -1.676 15.808 -7.060 42 H ALA 7 H ALA 7 1.512 17.667 -4.888 43 HA ALA 7 HA ALA 7 0.196 19.614 -3.211 44 HB1 ALA 7 HB1 ALA 7 1.541 17.383 -2.017 45 HB2 ALA 7 HB2 ALA 7 2.389 18.877 -1.619 46 HB3 ALA 7 HB3 ALA 7 0.675 18.708 -1.242 47 H TYR 8 H TYR 8 1.673 21.373 -2.573 48 HA TYR 8 HA TYR 8 3.395 22.063 -4.754 49 HB2 TYR 8 HB2 TYR 8 2.368 23.412 -2.317 50 HB3 TYR 8 HB3 TYR 8 3.874 24.028 -2.988 51 HD1 TYR 8 HD1 TYR 8 0.289 23.889 -3.337 52 HD2 TYR 8 HD2 TYR 8 3.907 24.834 -5.368 53 HE1 TYR 8 HE1 TYR 8 -0.988 25.173 -5.002 54 HE2 TYR 8 HE2 TYR 8 2.639 26.121 -7.037 55 HH TYR 8 HH TYR 8 -0.360 27.209 -6.632 56 H ILE 9 H ILE 9 5.367 21.238 -4.939 57 HA ILE 9 HA ILE 9 6.844 20.124 -2.799 58 HB ILE 9 HB ILE 9 7.087 19.522 -5.237 59 HG12 ILE 9 HG12 ILE 9 9.607 20.234 -3.719 60 HG13 ILE 9 HG13 ILE 9 8.675 18.752 -3.531 61 HG21 ILE 9 HG21 ILE 9 7.823 20.981 -6.751 62 HG22 ILE 9 HG22 ILE 9 7.597 22.228 -5.525 63 HG23 ILE 9 HG23 ILE 9 9.176 21.469 -5.731 64 HD11 ILE 9 HD11 ILE 9 10.801 19.262 -5.296 65 HD12 ILE 9 HD12 ILE 9 9.823 17.802 -5.157 66 HD13 ILE 9 HD13 ILE 9 9.348 19.076 -6.278 67 H ALA 10 H ALA 10 8.750 20.847 -1.802 68 HA ALA 10 HA ALA 10 9.585 23.603 -2.223 69 HB1 ALA 10 HB1 ALA 10 8.667 24.482 -0.402 70 HB2 ALA 10 HB2 ALA 10 7.762 22.982 -0.193 71 HB3 ALA 10 HB3 ALA 10 9.319 23.191 0.610 72 H GLN 11 H GLN 11 11.713 23.913 -1.827 73 HA GLN 11 HA GLN 11 13.486 21.811 -1.691 74 HB2 GLN 11 HB2 GLN 11 15.137 23.591 -0.841 75 HB3 GLN 11 HB3 GLN 11 14.378 23.853 -2.405 76 HG2 GLN 11 HG2 GLN 11 12.864 25.447 -1.489 77 HG3 GLN 11 HG3 GLN 11 13.368 25.061 0.155 78 HE21 GLN 11 HE21 GLN 11 14.534 26.351 -2.916 79 HE22 GLN 11 HE22 GLN 11 15.714 27.410 -2.230 80 HA PRO 12 HA PRO 12 13.734 20.432 2.465 81 HB2 PRO 12 HB2 PRO 12 16.385 19.911 2.729 82 HB3 PRO 12 HB3 PRO 12 15.302 18.910 1.756 83 HG2 PRO 12 HG2 PRO 12 17.188 21.062 0.879 84 HG3 PRO 12 HG3 PRO 12 16.882 19.476 0.148 85 HD2 PRO 12 HD2 PRO 12 15.795 21.759 -0.819 86 HD3 PRO 12 HD3 PRO 12 14.966 20.192 -0.911 87 H HIS 13 H HIS 13 15.234 23.309 1.491 88 HA HIS 13 HA HIS 13 16.209 23.958 4.167 89 HB2 HIS 13 HB2 HIS 13 16.532 25.202 1.458 90 HB3 HIS 13 HB3 HIS 13 16.841 26.159 2.904 91 HD1 HIS 13 HD1 HIS 13 19.300 26.297 3.114 92 HD2 HIS 13 HD2 HIS 13 18.045 22.465 2.109 93 HE1 HIS 13 HE1 HIS 13 21.381 24.884 3.121 94 H ASN 14 H ASN 14 13.376 23.637 3.728 95 HA ASN 14 HA ASN 14 11.376 24.669 4.100 96 HB2 ASN 14 HB2 ASN 14 12.989 25.216 6.178 97 HB3 ASN 14 HB3 ASN 14 12.675 26.860 5.629 98 HD21 ASN 14 HD21 ASN 14 10.087 26.641 4.746 99 HD22 ASN 14 HD22 ASN 14 9.049 26.303 6.085 100 H CYS 15 H CYS 15 11.403 25.283 1.786 101 HA CYS 15 HA CYS 15 10.601 27.956 1.439 102 HB2 CYS 15 HB2 CYS 15 13.380 27.671 1.364 103 HB3 CYS 15 HB3 CYS 15 12.895 27.755 -0.326 104 H VAL 16 H VAL 16 10.060 28.448 -0.831 105 HA VAL 16 HA VAL 16 9.092 26.057 -2.152 106 HB VAL 16 HB VAL 16 7.951 27.629 -3.685 107 HG11 VAL 16 HG11 VAL 16 7.121 28.849 -1.203 108 HG12 VAL 16 HG12 VAL 16 6.270 27.695 -2.229 109 HG13 VAL 16 HG13 VAL 16 7.401 27.119 -1.005 110 HG21 VAL 16 HG21 VAL 16 8.132 30.078 -2.418 111 HG22 VAL 16 HG22 VAL 16 9.799 29.502 -2.455 112 HG23 VAL 16 HG23 VAL 16 8.880 29.640 -3.954 113 H TYR 17 H TYR 17 9.991 25.113 -3.865 114 HA TYR 17 HA TYR 17 12.524 25.712 -4.804 115 HB2 TYR 17 HB2 TYR 17 10.286 24.006 -5.743 116 HB3 TYR 17 HB3 TYR 17 11.537 24.381 -6.924 117 HD1 TYR 17 HD1 TYR 17 14.000 23.983 -6.117 118 HD2 TYR 17 HD2 TYR 17 10.579 22.193 -4.329 119 HE1 TYR 17 HE1 TYR 17 15.424 22.211 -5.178 120 HE2 TYR 17 HE2 TYR 17 11.994 20.417 -3.385 121 HH TYR 17 HH TYR 17 15.335 20.611 -3.241 122 H HIS 18 H HIS 18 13.179 27.495 -5.798 123 HA HIS 18 HA HIS 18 11.391 29.169 -7.290 124 HB2 HIS 18 HB2 HIS 18 13.148 30.213 -6.006 125 HB3 HIS 18 HB3 HIS 18 14.381 29.287 -6.856 126 HD1 HIS 18 HD1 HIS 18 12.118 32.238 -7.239 127 HD2 HIS 18 HD2 HIS 18 15.078 30.263 -9.384 128 HE1 HIS 18 HE1 HIS 18 12.706 33.772 -9.142 129 H CYS 19 H CYS 19 10.723 28.563 -9.244 130 HA CYS 19 HA CYS 19 12.636 27.250 -11.051 131 HB2 CYS 19 HB2 CYS 19 10.683 26.446 -12.289 132 HB3 CYS 19 HB3 CYS 19 10.582 25.979 -10.595 133 H PHE 20 H PHE 20 13.176 28.143 -12.971 134 HA PHE 20 HA PHE 20 12.589 30.917 -13.378 135 HB2 PHE 20 HB2 PHE 20 14.774 29.635 -13.926 136 HB3 PHE 20 HB3 PHE 20 13.944 29.153 -15.401 137 HD1 PHE 20 HD1 PHE 20 14.568 30.369 -17.233 138 HD2 PHE 20 HD2 PHE 20 14.316 32.323 -13.460 139 HE1 PHE 20 HE1 PHE 20 15.220 32.491 -18.292 140 HE2 PHE 20 HE2 PHE 20 14.967 34.449 -14.514 141 HZ PHE 20 HZ PHE 20 15.421 34.535 -16.933 142 H ARG 21 H ARG 21 11.645 27.885 -14.909 143 HA ARG 21 HA ARG 21 9.340 29.190 -16.081 144 HB2 ARG 21 HB2 ARG 21 9.829 28.261 -18.353 145 HB3 ARG 21 HB3 ARG 21 10.906 29.559 -17.856 146 HG2 ARG 21 HG2 ARG 21 12.674 28.035 -17.415 147 HG3 ARG 21 HG3 ARG 21 11.600 26.646 -17.593 148 HD2 ARG 21 HD2 ARG 21 11.566 26.793 -19.879 149 HD3 ARG 21 HD3 ARG 21 11.866 28.530 -19.878 150 HE ARG 21 HE ARG 21 14.177 27.468 -18.920 151 HH11 ARG 21 HH11 ARG 21 12.256 26.930 -21.774 152 HH12 ARG 21 HH12 ARG 21 13.610 26.488 -22.761 153 HH21 ARG 21 HH21 ARG 21 15.968 26.888 -20.209 154 HH22 ARG 21 HH22 ARG 21 15.720 26.463 -21.868 155 H ASP 22 H ASP 22 7.890 27.574 -17.160 156 HA ASP 22 HA ASP 22 7.248 25.491 -15.467 157 HB2 ASP 22 HB2 ASP 22 5.856 26.551 -17.352 158 HB3 ASP 22 HB3 ASP 22 6.644 25.390 -18.416 159 H SER 23 H SER 23 9.107 25.355 -18.491 160 HA SER 23 HA SER 23 9.496 22.633 -18.691 161 HB2 SER 23 HB2 SER 23 10.252 24.487 -20.293 162 HB3 SER 23 HB3 SER 23 11.691 24.616 -19.282 163 HG SER 23 HG SER 23 10.789 22.309 -20.669 164 H TYR 24 H TYR 24 11.087 24.938 -16.583 165 HA TYR 24 HA TYR 24 13.186 23.244 -15.723 166 HB2 TYR 24 HB2 TYR 24 13.068 25.762 -15.464 167 HB3 TYR 24 HB3 TYR 24 11.952 25.493 -14.131 168 HD1 TYR 24 HD1 TYR 24 12.820 25.381 -11.993 169 HD2 TYR 24 HD2 TYR 24 15.339 24.405 -15.280 170 HE1 TYR 24 HE1 TYR 24 14.719 25.121 -10.453 171 HE2 TYR 24 HE2 TYR 24 17.245 24.141 -13.749 172 HH TYR 24 HH TYR 24 16.914 24.782 -10.276 173 H CYS 25 H CYS 25 10.195 24.224 -14.039 174 HA CYS 25 HA CYS 25 10.445 22.445 -11.897 175 HB2 CYS 25 HB2 CYS 25 8.903 24.279 -11.747 176 HB3 CYS 25 HB3 CYS 25 8.001 23.706 -13.147 177 H ASN 26 H ASN 26 9.049 22.032 -15.096 178 HA ASN 26 HA ASN 26 7.649 19.664 -14.730 179 HB2 ASN 26 HB2 ASN 26 7.677 21.084 -16.806 180 HB3 ASN 26 HB3 ASN 26 9.242 20.379 -17.198 181 HD21 ASN 26 HD21 ASN 26 9.287 17.974 -17.288 182 HD22 ASN 26 HD22 ASN 26 7.922 17.180 -17.988 183 H ASP 27 H ASP 27 10.992 19.998 -15.933 184 HA ASP 27 HA ASP 27 11.531 17.207 -15.727 185 HB2 ASP 27 HB2 ASP 27 12.874 19.553 -16.715 186 HB3 ASP 27 HB3 ASP 27 13.978 18.610 -15.716 187 H LEU 28 H LEU 28 12.076 19.987 -13.650 188 HA LEU 28 HA LEU 28 13.858 18.888 -11.820 189 HB2 LEU 28 HB2 LEU 28 13.515 21.152 -11.558 190 HB3 LEU 28 HB3 LEU 28 11.762 21.005 -11.674 191 HG LEU 28 HG LEU 28 11.661 20.127 -9.412 192 HD11 LEU 28 HD11 LEU 28 14.266 20.688 -8.451 193 HD12 LEU 28 HD12 LEU 28 13.409 19.145 -8.475 194 HD13 LEU 28 HD13 LEU 28 14.421 19.614 -9.842 195 HD21 LEU 28 HD21 LEU 28 13.421 22.472 -9.026 196 HD22 LEU 28 HD22 LEU 28 12.023 22.692 -10.080 197 HD23 LEU 28 HD23 LEU 28 11.798 22.156 -8.414 198 H CYS 29 H CYS 29 10.369 18.549 -12.078 199 HA CYS 29 HA CYS 29 10.017 17.242 -9.571 200 HB2 CYS 29 HB2 CYS 29 8.319 17.552 -12.032 201 HB3 CYS 29 HB3 CYS 29 7.812 16.501 -10.715 202 H ILE 30 H ILE 30 10.662 16.166 -12.850 203 HA ILE 30 HA ILE 30 10.091 13.464 -12.638 204 HB ILE 30 HB ILE 30 12.399 14.690 -14.153 205 HG12 ILE 30 HG12 ILE 30 10.306 15.764 -14.763 206 HG13 ILE 30 HG13 ILE 30 10.822 14.700 -16.067 207 HG21 ILE 30 HG21 ILE 30 12.885 12.504 -14.429 208 HG22 ILE 30 HG22 ILE 30 11.252 11.978 -14.020 209 HG23 ILE 30 HG23 ILE 30 11.603 12.591 -15.636 210 HD11 ILE 30 HD11 ILE 30 9.219 13.030 -15.377 211 HD12 ILE 30 HD12 ILE 30 8.741 14.026 -14.002 212 HD13 ILE 30 HD13 ILE 30 8.414 14.576 -15.645 213 H LYS 31 H LYS 31 13.220 15.062 -12.029 214 HA LYS 31 HA LYS 31 14.685 12.864 -11.236 215 HB2 LYS 31 HB2 LYS 31 15.458 15.279 -11.551 216 HB3 LYS 31 HB3 LYS 31 14.926 15.554 -9.898 217 HG2 LYS 31 HG2 LYS 31 16.677 14.459 -9.009 218 HG3 LYS 31 HG3 LYS 31 16.704 13.242 -10.288 219 HD2 LYS 31 HD2 LYS 31 18.571 14.302 -10.955 220 HD3 LYS 31 HD3 LYS 31 17.452 15.476 -11.650 221 HE2 LYS 31 HE2 LYS 31 17.551 16.675 -9.417 222 HE3 LYS 31 HE3 LYS 31 18.910 15.624 -9.023 223 HZ1 LYS 31 HZ1 LYS 31 19.504 16.618 -11.499 224 HZ2 LYS 31 HZ2 LYS 31 18.839 17.943 -10.684 225 HZ3 LYS 31 HZ3 LYS 31 20.171 17.130 -10.030 226 H HIS 32 H HIS 32 12.561 14.910 -9.272 227 HA HIS 32 HA HIS 32 13.086 13.664 -6.801 228 HB2 HIS 32 HB2 HIS 32 10.776 15.294 -7.836 229 HB3 HIS 32 HB3 HIS 32 10.766 14.619 -6.209 230 HD1 HIS 32 HD1 HIS 32 11.430 16.328 -4.569 231 HD2 HIS 32 HD2 HIS 32 13.490 16.765 -8.150 232 HE1 HIS 32 HE1 HIS 32 12.965 18.291 -4.227 233 H GLY 33 H GLY 33 10.986 12.834 -9.459 234 HA2 GLY 33 HA2 GLY 33 10.458 10.442 -9.665 235 HA3 GLY 33 HA3 GLY 33 10.119 10.453 -7.940 236 H ALA 34 H ALA 34 9.120 12.993 -10.141 237 HA ALA 34 HA ALA 34 6.323 12.229 -9.628 238 HB1 ALA 34 HB1 ALA 34 5.903 14.355 -9.136 239 HB2 ALA 34 HB2 ALA 34 7.635 14.663 -9.233 240 HB3 ALA 34 HB3 ALA 34 6.617 14.904 -10.652 241 H GLU 35 H GLU 35 4.769 12.814 -11.367 242 HA GLU 35 HA GLU 35 5.619 11.690 -13.844 243 HB2 GLU 35 HB2 GLU 35 3.356 11.334 -13.014 244 HB3 GLU 35 HB3 GLU 35 3.034 13.061 -13.087 245 HG2 GLU 35 HG2 GLU 35 3.845 11.599 -15.557 246 HG3 GLU 35 HG3 GLU 35 2.186 11.496 -14.974 247 H SER 36 H SER 36 4.720 14.954 -12.800 248 HA SER 36 HA SER 36 6.382 16.124 -14.832 249 HB2 SER 36 HB2 SER 36 4.776 17.138 -16.181 250 HB3 SER 36 HB3 SER 36 4.056 15.556 -15.884 251 HG SER 36 HG SER 36 2.488 17.066 -15.488 252 H GLY 37 H GLY 37 5.762 18.675 -14.830 253 HA2 GLY 37 HA2 GLY 37 4.953 19.641 -12.235 254 HA3 GLY 37 HA3 GLY 37 6.682 19.770 -12.524 255 H GLU 38 H GLU 38 4.479 21.802 -12.211 256 HA GLU 38 HA GLU 38 5.246 23.415 -14.530 257 HB2 GLU 38 HB2 GLU 38 3.032 24.103 -15.025 258 HB3 GLU 38 HB3 GLU 38 2.980 22.351 -14.908 259 HG2 GLU 38 HG2 GLU 38 2.240 22.708 -12.493 260 HG3 GLU 38 HG3 GLU 38 1.960 24.384 -12.959 261 H CYS 39 H CYS 39 5.033 25.701 -14.198 262 HA CYS 39 HA CYS 39 5.538 26.442 -11.446 263 HB2 CYS 39 HB2 CYS 39 5.758 27.839 -14.093 264 HB3 CYS 39 HB3 CYS 39 5.793 28.771 -12.599 265 H LYS 40 H LYS 40 4.375 27.965 -10.252 266 HA LYS 40 HA LYS 40 1.858 28.961 -11.315 267 HB2 LYS 40 HB2 LYS 40 2.085 26.817 -9.280 268 HB3 LYS 40 HB3 LYS 40 0.906 28.082 -8.954 269 HG2 LYS 40 HG2 LYS 40 -0.438 27.471 -10.687 270 HG3 LYS 40 HG3 LYS 40 0.901 26.846 -11.651 271 HD2 LYS 40 HD2 LYS 40 1.072 24.942 -10.049 272 HD3 LYS 40 HD3 LYS 40 -0.386 25.541 -9.256 273 HE2 LYS 40 HE2 LYS 40 -0.133 24.619 -12.116 274 HE3 LYS 40 HE3 LYS 40 -0.956 23.773 -10.807 275 HZ1 LYS 40 HZ1 LYS 40 -2.157 26.182 -10.780 276 HZ2 LYS 40 HZ2 LYS 40 -1.865 25.973 -12.434 277 HZ3 LYS 40 HZ3 LYS 40 -2.758 24.818 -11.580 278 H TRP 41 H TRP 41 1.708 31.021 -10.753 279 HA TRP 41 HA TRP 41 3.371 32.100 -8.658 280 HB2 TRP 41 HB2 TRP 41 2.723 33.170 -10.958 281 HB3 TRP 41 HB3 TRP 41 1.279 33.696 -10.096 282 HD1 TRP 41 HD1 TRP 41 5.040 33.738 -9.090 283 HE1 TRP 41 HE1 TRP 41 5.599 36.107 -8.254 284 HE3 TRP 41 HE3 TRP 41 0.484 35.947 -9.801 285 HZ2 TRP 41 HZ2 TRP 41 4.284 38.584 -7.937 286 HZ3 TRP 41 HZ3 TRP 41 0.218 38.319 -9.206 287 HH2 TRP 41 HH2 TRP 41 2.079 39.609 -8.292 288 H PHE 42 H PHE 42 2.588 31.321 -6.718 289 HA PHE 42 HA PHE 42 -0.211 31.705 -6.042 290 HB2 PHE 42 HB2 PHE 42 1.119 29.654 -5.379 291 HB3 PHE 42 HB3 PHE 42 1.990 30.681 -4.245 292 HD1 PHE 42 HD1 PHE 42 -1.457 29.623 -5.159 293 HD2 PHE 42 HD2 PHE 42 1.181 30.965 -2.100 294 HE1 PHE 42 HE1 PHE 42 -3.220 29.258 -3.484 295 HE2 PHE 42 HE2 PHE 42 -0.579 30.602 -0.419 296 HZ PHE 42 HZ PHE 42 -2.783 29.748 -1.110 297 H THR 43 H THR 43 2.935 33.043 -5.236 298 HA THR 43 HA THR 43 1.575 35.273 -3.894 299 HB THR 43 HB THR 43 4.197 34.568 -2.747 300 HG1 THR 43 HG1 THR 43 3.602 32.713 -1.843 301 HG21 THR 43 HG21 THR 43 1.698 35.868 -1.986 302 HG22 THR 43 HG22 THR 43 2.345 34.819 -0.725 303 HG23 THR 43 HG23 THR 43 3.335 36.123 -1.380 304 H SER 44 H SER 44 3.382 37.029 -3.401 305 HA SER 44 HA SER 44 4.547 37.640 -5.992 306 HB2 SER 44 HB2 SER 44 3.233 39.329 -4.659 307 HB3 SER 44 HB3 SER 44 4.559 39.351 -3.498 308 HG SER 44 HG SER 44 4.348 40.676 -5.800 309 H SER 45 H SER 45 5.679 35.551 -4.194 310 HA SER 45 HA SER 45 8.327 36.713 -3.664 311 HB2 SER 45 HB2 SER 45 8.531 34.309 -2.512 312 HB3 SER 45 HB3 SER 45 7.809 35.686 -1.680 313 HG SER 45 HG SER 45 6.330 34.109 -1.465 314 H GLY 46 H GLY 46 7.001 35.579 -6.233 315 HA2 GLY 46 HA2 GLY 46 8.405 34.940 -8.094 316 HA3 GLY 46 HA3 GLY 46 9.338 33.946 -6.986 317 H ASN 47 H ASN 47 8.190 33.103 -9.469 318 HA ASN 47 HA ASN 47 5.783 31.664 -9.047 319 HB2 ASN 47 HB2 ASN 47 7.884 30.938 -11.084 320 HB3 ASN 47 HB3 ASN 47 6.140 30.724 -11.191 321 HD21 ASN 47 HD21 ASN 47 4.953 32.271 -12.108 322 HD22 ASN 47 HD22 ASN 47 5.549 33.813 -12.608 323 H ALA 48 H ALA 48 5.460 29.856 -7.944 324 HA ALA 48 HA ALA 48 7.725 28.347 -6.939 325 HB1 ALA 48 HB1 ALA 48 6.320 28.341 -5.198 326 HB2 ALA 48 HB2 ALA 48 4.917 28.688 -6.208 327 HB3 ALA 48 HB3 ALA 48 5.500 27.031 -6.046 328 H CYS 49 H CYS 49 7.678 25.952 -7.001 329 HA CYS 49 HA CYS 49 6.907 25.046 -9.684 330 HB2 CYS 49 HB2 CYS 49 9.252 24.772 -9.251 331 HB3 CYS 49 HB3 CYS 49 8.931 23.993 -7.705 332 H TRP 50 H TRP 50 5.211 23.760 -9.907 333 HA TRP 50 HA TRP 50 4.128 22.420 -7.538 334 HB2 TRP 50 HB2 TRP 50 2.474 23.733 -8.615 335 HB3 TRP 50 HB3 TRP 50 2.940 23.151 -10.212 336 HD1 TRP 50 HD1 TRP 50 2.100 20.684 -10.910 337 HE1 TRP 50 HE1 TRP 50 0.135 19.258 -10.059 338 HE3 TRP 50 HE3 TRP 50 1.119 23.173 -6.554 339 HZ2 TRP 50 HZ2 TRP 50 -1.603 19.195 -7.836 340 HZ3 TRP 50 HZ3 TRP 50 -0.713 22.366 -5.122 341 HH2 TRP 50 HH2 TRP 50 -2.045 20.418 -5.752 342 H CYS 51 H CYS 51 3.899 20.239 -7.386 343 HA CYS 51 HA CYS 51 4.894 18.632 -9.648 344 HB2 CYS 51 HB2 CYS 51 5.459 18.390 -6.704 345 HB3 CYS 51 HB3 CYS 51 5.620 17.002 -7.774 346 H VAL 52 H VAL 52 3.710 16.896 -10.247 347 HA VAL 52 HA VAL 52 1.142 16.519 -8.899 348 HB VAL 52 HB VAL 52 1.030 16.887 -11.296 349 HG11 VAL 52 HG11 VAL 52 3.046 14.697 -11.352 350 HG12 VAL 52 HG12 VAL 52 1.928 14.857 -12.707 351 HG13 VAL 52 HG13 VAL 52 2.986 16.200 -12.274 352 HG21 VAL 52 HG21 VAL 52 -0.333 15.014 -9.950 353 HG22 VAL 52 HG22 VAL 52 -0.602 15.356 -11.659 354 HG23 VAL 52 HG23 VAL 52 0.415 13.997 -11.182 355 H LYS 53 H LYS 53 0.397 14.506 -8.218 356 HA LYS 53 HA LYS 53 0.719 12.605 -6.962 357 HB2 LYS 53 HB2 LYS 53 1.357 10.692 -8.339 358 HB3 LYS 53 HB3 LYS 53 0.277 11.762 -9.224 359 HG2 LYS 53 HG2 LYS 53 1.978 12.527 -10.618 360 HG3 LYS 53 HG3 LYS 53 3.249 11.973 -9.525 361 HD2 LYS 53 HD2 LYS 53 1.717 9.708 -10.230 362 HD3 LYS 53 HD3 LYS 53 2.032 10.600 -11.720 363 HE2 LYS 53 HE2 LYS 53 4.240 10.160 -11.663 364 HE3 LYS 53 HE3 LYS 53 4.334 10.337 -9.912 365 HZ1 LYS 53 HZ1 LYS 53 4.181 7.971 -11.445 366 HZ2 LYS 53 HZ2 LYS 53 4.421 8.142 -9.779 367 HZ3 LYS 53 HZ3 LYS 53 2.851 8.049 -10.402 368 H LEU 54 H LEU 54 2.660 14.409 -6.253 369 HA LEU 54 HA LEU 54 5.290 13.316 -6.442 370 HB2 LEU 54 HB2 LEU 54 4.451 15.751 -5.926 371 HB3 LEU 54 HB3 LEU 54 4.496 15.184 -4.259 372 HG LEU 54 HG LEU 54 6.886 14.690 -4.499 373 HD11 LEU 54 HD11 LEU 54 7.482 16.167 -6.848 374 HD12 LEU 54 HD12 LEU 54 7.824 14.473 -6.493 375 HD13 LEU 54 HD13 LEU 54 6.303 14.923 -7.263 376 HD21 LEU 54 HD21 LEU 54 5.794 17.419 -4.955 377 HD22 LEU 54 HD22 LEU 54 6.656 16.763 -3.564 378 HD23 LEU 54 HD23 LEU 54 7.540 17.187 -5.029 379 HA PRO 55 HA PRO 55 4.953 10.244 -3.281 380 HB2 PRO 55 HB2 PRO 55 7.608 9.789 -2.943 381 HB3 PRO 55 HB3 PRO 55 6.701 9.196 -4.340 382 HG2 PRO 55 HG2 PRO 55 8.460 11.608 -4.108 383 HG3 PRO 55 HG3 PRO 55 8.356 10.420 -5.421 384 HD2 PRO 55 HD2 PRO 55 7.160 12.846 -5.553 385 HD3 PRO 55 HD3 PRO 55 6.480 11.402 -6.330 386 H LYS 56 H LYS 56 5.022 10.146 -1.079 387 HA LYS 56 HA LYS 56 5.281 12.477 0.422 388 HB2 LYS 56 HB2 LYS 56 5.477 9.610 1.365 389 HB3 LYS 56 HB3 LYS 56 5.202 11.003 2.402 390 HG2 LYS 56 HG2 LYS 56 3.032 11.202 1.798 391 HG3 LYS 56 HG3 LYS 56 3.323 10.636 0.151 392 HD2 LYS 56 HD2 LYS 56 2.132 8.873 1.040 393 HD3 LYS 56 HD3 LYS 56 3.793 8.351 1.325 394 HE2 LYS 56 HE2 LYS 56 2.436 7.987 3.305 395 HE3 LYS 56 HE3 LYS 56 3.661 9.216 3.616 396 HZ1 LYS 56 HZ1 LYS 56 2.114 10.848 3.785 397 HZ2 LYS 56 HZ2 LYS 56 1.036 10.121 2.703 398 HZ3 LYS 56 HZ3 LYS 56 1.153 9.552 4.293 399 H SER 57 H SER 57 7.644 10.049 -0.425 400 HA SER 57 HA SER 57 9.623 10.488 1.447 401 HB2 SER 57 HB2 SER 57 9.970 9.942 -1.511 402 HB3 SER 57 HB3 SER 57 11.221 9.738 -0.285 403 HG SER 57 HG SER 57 10.355 7.906 0.264 404 H GLU 58 H GLU 58 8.773 12.411 -1.368 405 HA GLU 58 HA GLU 58 11.047 14.153 -1.132 406 HB2 GLU 58 HB2 GLU 58 8.500 14.379 -2.743 407 HB3 GLU 58 HB3 GLU 58 9.836 15.518 -2.844 408 HG2 GLU 58 HG2 GLU 58 10.078 12.577 -3.427 409 HG3 GLU 58 HG3 GLU 58 9.795 13.816 -4.649 410 HA PRO 59 HA PRO 59 9.530 17.069 1.776 411 HB2 PRO 59 HB2 PRO 59 10.601 19.374 0.825 412 HB3 PRO 59 HB3 PRO 59 11.567 18.118 1.608 413 HG2 PRO 59 HG2 PRO 59 11.188 18.672 -1.309 414 HG3 PRO 59 HG3 PRO 59 12.675 18.267 -0.431 415 HD2 PRO 59 HD2 PRO 59 11.290 16.440 -1.871 416 HD3 PRO 59 HD3 PRO 59 12.195 16.013 -0.405 417 H ILE 60 H ILE 60 8.155 18.940 2.059 418 HA ILE 60 HA ILE 60 6.722 19.916 -0.276 419 HB ILE 60 HB ILE 60 4.506 19.448 0.818 420 HG12 ILE 60 HG12 ILE 60 6.164 17.524 2.463 421 HG13 ILE 60 HG13 ILE 60 5.381 18.976 3.078 422 HG21 ILE 60 HG21 ILE 60 5.399 18.162 -1.098 423 HG22 ILE 60 HG22 ILE 60 6.089 17.004 0.040 424 HG23 ILE 60 HG23 ILE 60 4.340 17.209 -0.057 425 HD11 ILE 60 HD11 ILE 60 4.324 16.360 2.815 426 HD12 ILE 60 HD12 ILE 60 3.556 17.803 3.478 427 HD13 ILE 60 HD13 ILE 60 3.411 17.438 1.759 428 H LYS 61 H LYS 61 5.574 21.843 0.089 429 HA LYS 61 HA LYS 61 6.688 23.642 1.878 430 HB2 LYS 61 HB2 LYS 61 5.483 24.400 -0.074 431 HB3 LYS 61 HB3 LYS 61 3.987 23.697 0.525 432 HG2 LYS 61 HG2 LYS 61 3.925 26.068 0.854 433 HG3 LYS 61 HG3 LYS 61 4.054 25.277 2.426 434 HD2 LYS 61 HD2 LYS 61 6.406 25.777 2.543 435 HD3 LYS 61 HD3 LYS 61 6.392 26.414 0.897 436 HE2 LYS 61 HE2 LYS 61 6.382 28.213 2.552 437 HE3 LYS 61 HE3 LYS 61 4.903 28.214 1.593 438 HZ1 LYS 61 HZ1 LYS 61 4.922 28.369 4.239 439 HZ2 LYS 61 HZ2 LYS 61 3.645 27.680 3.366 440 HZ3 LYS 61 HZ3 LYS 61 4.824 26.689 4.066 441 H VAL 62 H VAL 62 6.501 23.918 3.997 442 HA VAL 62 HA VAL 62 4.126 22.810 5.351 443 HB VAL 62 HB VAL 62 5.670 22.739 7.395 444 HG11 VAL 62 HG11 VAL 62 6.866 20.620 6.252 445 HG12 VAL 62 HG12 VAL 62 5.177 20.627 6.762 446 HG13 VAL 62 HG13 VAL 62 5.589 20.920 5.073 447 HG21 VAL 62 HG21 VAL 62 7.444 24.135 6.316 448 HG22 VAL 62 HG22 VAL 62 8.029 22.629 7.023 449 HG23 VAL 62 HG23 VAL 62 7.814 22.758 5.277 450 HA PRO 63 HA PRO 63 3.181 26.776 6.977 451 HB2 PRO 63 HB2 PRO 63 2.201 26.137 9.427 452 HB3 PRO 63 HB3 PRO 63 1.322 25.817 7.928 453 HG2 PRO 63 HG2 PRO 63 2.972 23.953 9.589 454 HG3 PRO 63 HG3 PRO 63 1.402 23.670 8.816 455 HD2 PRO 63 HD2 PRO 63 3.730 22.789 7.750 456 HD3 PRO 63 HD3 PRO 63 2.348 23.279 6.751 457 H GLY 64 H GLY 64 4.521 28.303 7.698 458 HA2 GLY 64 HA2 GLY 64 5.581 28.537 10.223 459 HA3 GLY 64 HA3 GLY 64 6.803 27.674 9.301 460 H LYS 65 H LYS 65 8.224 28.833 8.171 461 HA LYS 65 HA LYS 65 7.613 31.290 6.892 462 HB2 LYS 65 HB2 LYS 65 7.803 31.845 9.428 463 HB3 LYS 65 HB3 LYS 65 9.532 31.644 9.173 464 HG2 LYS 65 HG2 LYS 65 9.628 33.453 7.672 465 HG3 LYS 65 HG3 LYS 65 7.872 33.503 7.499 466 HD2 LYS 65 HD2 LYS 65 8.541 35.321 8.910 467 HD3 LYS 65 HD3 LYS 65 7.721 34.121 9.911 468 HE2 LYS 65 HE2 LYS 65 9.669 34.885 11.081 469 HE3 LYS 65 HE3 LYS 65 9.948 33.226 10.557 470 HZ1 LYS 65 HZ1 LYS 65 10.880 35.536 8.964 471 HZ2 LYS 65 HZ2 LYS 65 11.818 34.881 10.211 472 HZ3 LYS 65 HZ3 LYS 65 11.392 33.927 8.879 473 H CYS 66 H CYS 66 9.053 31.664 5.305 474 HA CYS 66 HA CYS 66 11.218 29.799 4.959 475 HB2 CYS 66 HB2 CYS 66 9.951 30.400 3.008 476 HB3 CYS 66 HB3 CYS 66 10.230 32.116 3.290 477 H HIS 67 H HIS 67 13.388 30.183 5.048 478 HA HIS 67 HA HIS 67 15.315 31.116 5.828 479 HB2 HIS 67 HB2 HIS 67 13.971 33.452 4.486 480 HB3 HIS 67 HB3 HIS 67 15.559 33.611 5.229 481 HD1 HIS 67 HD1 HIS 67 16.122 34.189 2.602 482 HD2 HIS 67 HD2 HIS 67 15.328 30.226 3.564 483 HE1 HIS 67 HE1 HIS 67 17.052 32.834 0.697 Start of MODEL 17 1 H1 GLY 1 H GLY 1 1.150 -1.338 -0.928 2 HA2 GLY 1 HA2 GLY 1 2.286 0.568 0.450 3 HA3 GLY 1 HA3 GLY 1 3.235 -0.243 -0.786 4 H GLU 2 H GLU 2 2.321 0.759 -3.109 5 HA GLU 2 HA GLU 2 3.568 3.266 -3.265 6 HB2 GLU 2 HB2 GLU 2 2.714 3.350 -5.565 7 HB3 GLU 2 HB3 GLU 2 3.399 1.776 -5.188 8 HG2 GLU 2 HG2 GLU 2 1.125 0.910 -4.801 9 HG3 GLU 2 HG3 GLU 2 0.475 2.477 -5.276 10 H GLU 3 H GLU 3 2.869 5.264 -2.883 11 HA GLU 3 HA GLU 3 0.104 6.001 -3.229 12 HB2 GLU 3 HB2 GLU 3 -0.092 6.875 -0.875 13 HB3 GLU 3 HB3 GLU 3 -0.129 5.124 -1.028 14 HG2 GLU 3 HG2 GLU 3 2.314 5.122 -0.465 15 HG3 GLU 3 HG3 GLU 3 2.152 6.836 -0.085 16 H VAL 4 H VAL 4 0.060 7.990 -4.030 17 HA VAL 4 HA VAL 4 2.095 9.927 -3.187 18 HB VAL 4 HB VAL 4 2.233 10.720 -5.586 19 HG11 VAL 4 HG11 VAL 4 4.216 9.748 -5.307 20 HG12 VAL 4 HG12 VAL 4 3.521 8.472 -4.306 21 HG13 VAL 4 HG13 VAL 4 3.533 8.309 -6.062 22 HG21 VAL 4 HG21 VAL 4 1.737 9.014 -7.316 23 HG22 VAL 4 HG22 VAL 4 0.956 8.033 -6.077 24 HG23 VAL 4 HG23 VAL 4 0.296 9.614 -6.496 25 H ARG 5 H ARG 5 1.498 12.133 -3.488 26 HA ARG 5 HA ARG 5 -1.300 12.634 -4.193 27 HB2 ARG 5 HB2 ARG 5 -1.848 13.701 -2.197 28 HB3 ARG 5 HB3 ARG 5 -0.915 12.313 -1.654 29 HG2 ARG 5 HG2 ARG 5 0.133 15.119 -1.969 30 HG3 ARG 5 HG3 ARG 5 -0.303 14.340 -0.447 31 HD2 ARG 5 HD2 ARG 5 1.398 12.510 -1.324 32 HD3 ARG 5 HD3 ARG 5 2.040 13.888 -2.218 33 HE ARG 5 HE ARG 5 2.948 14.634 -0.269 34 HH11 ARG 5 HH11 ARG 5 0.277 12.536 0.496 35 HH12 ARG 5 HH12 ARG 5 0.538 12.611 2.207 36 HH21 ARG 5 HH21 ARG 5 3.302 14.740 1.982 37 HH22 ARG 5 HH22 ARG 5 2.258 13.866 3.051 38 H ASP 6 H ASP 6 -1.761 14.849 -4.700 39 HA ASP 6 HA ASP 6 0.523 16.188 -5.885 40 HB2 ASP 6 HB2 ASP 6 -1.069 17.544 -7.053 41 HB3 ASP 6 HB3 ASP 6 -1.663 15.886 -7.093 42 H ALA 7 H ALA 7 1.558 17.859 -5.019 43 HA ALA 7 HA ALA 7 0.240 19.802 -3.369 44 HB1 ALA 7 HB1 ALA 7 0.609 18.879 -1.383 45 HB2 ALA 7 HB2 ALA 7 1.532 17.562 -2.108 46 HB3 ALA 7 HB3 ALA 7 2.338 19.069 -1.671 47 H TYR 8 H TYR 8 1.771 21.509 -2.632 48 HA TYR 8 HA TYR 8 3.540 22.194 -4.773 49 HB2 TYR 8 HB2 TYR 8 2.508 23.512 -2.329 50 HB3 TYR 8 HB3 TYR 8 4.066 24.082 -2.918 51 HD1 TYR 8 HD1 TYR 8 0.558 24.395 -3.225 52 HD2 TYR 8 HD2 TYR 8 4.171 24.689 -5.453 53 HE1 TYR 8 HE1 TYR 8 -0.591 25.793 -4.891 54 HE2 TYR 8 HE2 TYR 8 3.033 26.089 -7.126 55 HH TYR 8 HH TYR 8 0.252 27.639 -6.641 56 H ILE 9 H ILE 9 5.485 21.311 -4.966 57 HA ILE 9 HA ILE 9 6.904 20.093 -2.840 58 HB ILE 9 HB ILE 9 7.145 19.528 -5.283 59 HG12 ILE 9 HG12 ILE 9 9.681 20.141 -3.747 60 HG13 ILE 9 HG13 ILE 9 8.704 18.685 -3.584 61 HG21 ILE 9 HG21 ILE 9 7.731 22.222 -5.525 62 HG22 ILE 9 HG22 ILE 9 9.290 21.425 -5.734 63 HG23 ILE 9 HG23 ILE 9 7.933 20.989 -6.771 64 HD11 ILE 9 HD11 ILE 9 9.808 17.724 -5.236 65 HD12 ILE 9 HD12 ILE 9 9.407 19.052 -6.326 66 HD13 ILE 9 HD13 ILE 9 10.855 19.140 -5.322 67 H ALA 10 H ALA 10 8.821 20.727 -1.811 68 HA ALA 10 HA ALA 10 9.756 23.462 -2.167 69 HB1 ALA 10 HB1 ALA 10 8.363 22.476 0.282 70 HB2 ALA 10 HB2 ALA 10 9.645 23.678 0.428 71 HB3 ALA 10 HB3 ALA 10 8.217 24.025 -0.548 72 H GLN 11 H GLN 11 11.894 23.679 -1.776 73 HA GLN 11 HA GLN 11 13.586 21.509 -1.664 74 HB2 GLN 11 HB2 GLN 11 15.304 23.213 -0.801 75 HB3 GLN 11 HB3 GLN 11 14.550 23.527 -2.358 76 HG2 GLN 11 HG2 GLN 11 13.094 25.159 -1.402 77 HG3 GLN 11 HG3 GLN 11 13.613 24.740 0.229 78 HE21 GLN 11 HE21 GLN 11 14.324 26.507 -2.630 79 HE22 GLN 11 HE22 GLN 11 15.724 27.329 -2.039 80 HA PRO 12 HA PRO 12 13.779 20.079 2.478 81 HB2 PRO 12 HB2 PRO 12 16.407 19.450 2.735 82 HB3 PRO 12 HB3 PRO 12 15.282 18.501 1.753 83 HG2 PRO 12 HG2 PRO 12 17.254 20.585 0.896 84 HG3 PRO 12 HG3 PRO 12 16.884 19.020 0.149 85 HD2 PRO 12 HD2 PRO 12 15.889 21.355 -0.795 86 HD3 PRO 12 HD3 PRO 12 14.996 19.823 -0.901 87 H HIS 13 H HIS 13 15.401 22.900 1.531 88 HA HIS 13 HA HIS 13 16.399 23.484 4.213 89 HB2 HIS 13 HB2 HIS 13 17.407 24.073 1.733 90 HB3 HIS 13 HB3 HIS 13 16.622 25.586 2.172 91 HD1 HIS 13 HD1 HIS 13 18.685 23.172 4.275 92 HD2 HIS 13 HD2 HIS 13 18.595 27.164 3.126 93 HE1 HIS 13 HE1 HIS 13 20.586 24.269 5.505 94 H ASN 14 H ASN 14 13.549 23.288 3.746 95 HA ASN 14 HA ASN 14 11.595 24.402 4.122 96 HB2 ASN 14 HB2 ASN 14 12.867 24.671 6.300 97 HB3 ASN 14 HB3 ASN 14 13.298 26.289 5.754 98 HD21 ASN 14 HD21 ASN 14 10.303 24.398 5.577 99 HD22 ASN 14 HD22 ASN 14 9.314 25.574 6.367 100 H CYS 15 H CYS 15 11.684 25.060 1.818 101 HA CYS 15 HA CYS 15 11.038 27.797 1.539 102 HB2 CYS 15 HB2 CYS 15 13.796 27.259 1.354 103 HB3 CYS 15 HB3 CYS 15 13.240 27.502 -0.299 104 H VAL 16 H VAL 16 10.455 28.359 -0.693 105 HA VAL 16 HA VAL 16 9.325 26.053 -2.040 106 HB VAL 16 HB VAL 16 8.235 27.752 -3.508 107 HG11 VAL 16 HG11 VAL 16 7.545 26.949 -1.027 108 HG12 VAL 16 HG12 VAL 16 7.587 28.697 -0.794 109 HG13 VAL 16 HG13 VAL 16 6.545 27.997 -2.034 110 HG21 VAL 16 HG21 VAL 16 9.081 29.802 -3.618 111 HG22 VAL 16 HG22 VAL 16 8.576 30.071 -1.949 112 HG23 VAL 16 HG23 VAL 16 10.190 29.451 -2.292 113 H TYR 17 H TYR 17 10.173 25.100 -3.768 114 HA TYR 17 HA TYR 17 12.678 25.659 -4.797 115 HB2 TYR 17 HB2 TYR 17 10.371 24.013 -5.670 116 HB3 TYR 17 HB3 TYR 17 11.577 24.383 -6.897 117 HD1 TYR 17 HD1 TYR 17 14.058 23.911 -6.223 118 HD2 TYR 17 HD2 TYR 17 10.691 22.187 -4.276 119 HE1 TYR 17 HE1 TYR 17 15.486 22.097 -5.373 120 HE2 TYR 17 HE2 TYR 17 12.110 20.370 -3.419 121 HH TYR 17 HH TYR 17 14.937 19.534 -4.591 122 H HIS 18 H HIS 18 13.214 27.600 -5.592 123 HA HIS 18 HA HIS 18 11.427 29.226 -7.113 124 HB2 HIS 18 HB2 HIS 18 13.498 29.887 -5.635 125 HB3 HIS 18 HB3 HIS 18 14.390 29.652 -7.135 126 HD1 HIS 18 HD1 HIS 18 12.837 30.979 -9.228 127 HD2 HIS 18 HD2 HIS 18 12.984 32.515 -5.371 128 HE1 HIS 18 HE1 HIS 18 12.241 33.411 -9.451 129 H CYS 19 H CYS 19 10.814 28.618 -9.087 130 HA CYS 19 HA CYS 19 12.822 27.455 -10.894 131 HB2 CYS 19 HB2 CYS 19 10.974 26.524 -12.157 132 HB3 CYS 19 HB3 CYS 19 10.799 26.088 -10.460 133 H PHE 20 H PHE 20 13.281 28.380 -12.835 134 HA PHE 20 HA PHE 20 12.549 31.140 -13.174 135 HB2 PHE 20 HB2 PHE 20 14.443 29.248 -14.473 136 HB3 PHE 20 HB3 PHE 20 13.918 30.641 -15.413 137 HD1 PHE 20 HD1 PHE 20 15.678 32.124 -15.487 138 HD2 PHE 20 HD2 PHE 20 14.678 30.276 -11.786 139 HE1 PHE 20 HE1 PHE 20 17.345 33.525 -14.341 140 HE2 PHE 20 HE2 PHE 20 16.343 31.675 -10.634 141 HZ PHE 20 HZ PHE 20 17.678 33.302 -11.912 142 H ARG 21 H ARG 21 11.791 28.079 -14.732 143 HA ARG 21 HA ARG 21 9.460 29.276 -15.963 144 HB2 ARG 21 HB2 ARG 21 10.087 28.251 -18.210 145 HB3 ARG 21 HB3 ARG 21 10.937 29.718 -17.747 146 HG2 ARG 21 HG2 ARG 21 12.833 28.325 -16.979 147 HG3 ARG 21 HG3 ARG 21 11.985 26.902 -17.586 148 HD2 ARG 21 HD2 ARG 21 11.959 27.936 -19.838 149 HD3 ARG 21 HD3 ARG 21 12.914 29.274 -19.200 150 HE ARG 21 HE ARG 21 14.307 26.970 -18.588 151 HH11 ARG 21 HH11 ARG 21 13.200 28.598 -21.459 152 HH12 ARG 21 HH12 ARG 21 14.497 28.016 -22.448 153 HH21 ARG 21 HH21 ARG 21 16.021 26.197 -19.879 154 HH22 ARG 21 HH22 ARG 21 16.101 26.650 -21.548 155 H ASP 22 H ASP 22 8.047 27.635 -16.965 156 HA ASP 22 HA ASP 22 7.536 25.496 -15.296 157 HB2 ASP 22 HB2 ASP 22 6.034 24.663 -17.025 158 HB3 ASP 22 HB3 ASP 22 5.914 26.418 -16.916 159 H SER 23 H SER 23 9.400 25.546 -18.305 160 HA SER 23 HA SER 23 9.843 22.848 -18.663 161 HB2 SER 23 HB2 SER 23 12.292 24.156 -19.252 162 HB3 SER 23 HB3 SER 23 11.014 23.692 -20.375 163 HG SER 23 HG SER 23 11.144 25.845 -20.612 164 H TYR 24 H TYR 24 11.260 25.016 -16.327 165 HA TYR 24 HA TYR 24 13.383 23.273 -15.541 166 HB2 TYR 24 HB2 TYR 24 13.324 25.781 -15.209 167 HB3 TYR 24 HB3 TYR 24 12.175 25.506 -13.905 168 HD1 TYR 24 HD1 TYR 24 12.887 24.454 -11.821 169 HD2 TYR 24 HD2 TYR 24 15.663 25.218 -14.952 170 HE1 TYR 24 HE1 TYR 24 14.746 24.101 -10.250 171 HE2 TYR 24 HE2 TYR 24 17.531 24.866 -13.390 172 HH TYR 24 HH TYR 24 18.096 24.078 -11.343 173 H CYS 25 H CYS 25 10.356 24.242 -13.918 174 HA CYS 25 HA CYS 25 10.534 22.438 -11.792 175 HB2 CYS 25 HB2 CYS 25 8.975 24.265 -11.686 176 HB3 CYS 25 HB3 CYS 25 8.126 23.694 -13.119 177 H ASN 26 H ASN 26 9.281 22.047 -15.049 178 HA ASN 26 HA ASN 26 7.873 19.670 -14.762 179 HB2 ASN 26 HB2 ASN 26 7.818 20.970 -16.823 180 HB3 ASN 26 HB3 ASN 26 9.519 20.623 -17.116 181 HD21 ASN 26 HD21 ASN 26 10.120 18.413 -17.522 182 HD22 ASN 26 HD22 ASN 26 8.985 17.341 -18.260 183 H ASP 27 H ASP 27 11.263 20.035 -15.817 184 HA ASP 27 HA ASP 27 11.804 17.243 -15.612 185 HB2 ASP 27 HB2 ASP 27 13.114 19.528 -16.655 186 HB3 ASP 27 HB3 ASP 27 14.210 18.796 -15.487 187 H LEU 28 H LEU 28 12.253 20.015 -13.504 188 HA LEU 28 HA LEU 28 13.969 18.895 -11.614 189 HB2 LEU 28 HB2 LEU 28 13.647 21.172 -11.391 190 HB3 LEU 28 HB3 LEU 28 11.895 21.040 -11.529 191 HG LEU 28 HG LEU 28 11.756 20.175 -9.264 192 HD11 LEU 28 HD11 LEU 28 13.485 19.180 -8.306 193 HD12 LEU 28 HD12 LEU 28 14.522 19.648 -9.654 194 HD13 LEU 28 HD13 LEU 28 14.345 20.720 -8.266 195 HD21 LEU 28 HD21 LEU 28 13.522 22.499 -8.837 196 HD22 LEU 28 HD22 LEU 28 12.176 22.739 -9.952 197 HD23 LEU 28 HD23 LEU 28 11.868 22.212 -8.297 198 H CYS 29 H CYS 29 10.503 18.575 -12.034 199 HA CYS 29 HA CYS 29 10.020 17.304 -9.526 200 HB2 CYS 29 HB2 CYS 29 8.454 17.735 -12.036 201 HB3 CYS 29 HB3 CYS 29 7.886 16.535 -10.880 202 H ILE 30 H ILE 30 10.775 16.189 -12.771 203 HA ILE 30 HA ILE 30 10.194 13.474 -12.469 204 HB ILE 30 HB ILE 30 12.411 14.693 -14.120 205 HG12 ILE 30 HG12 ILE 30 9.604 13.975 -14.978 206 HG13 ILE 30 HG13 ILE 30 10.092 15.604 -14.519 207 HG21 ILE 30 HG21 ILE 30 11.632 11.981 -13.665 208 HG22 ILE 30 HG22 ILE 30 11.310 12.410 -15.345 209 HG23 ILE 30 HG23 ILE 30 12.930 12.610 -14.680 210 HD11 ILE 30 HD11 ILE 30 10.200 15.596 -16.840 211 HD12 ILE 30 HD12 ILE 30 11.876 15.372 -16.336 212 HD13 ILE 30 HD13 ILE 30 10.932 13.992 -16.895 213 H LYS 31 H LYS 31 13.247 15.213 -11.908 214 HA LYS 31 HA LYS 31 14.851 13.082 -11.184 215 HB2 LYS 31 HB2 LYS 31 15.576 15.464 -11.493 216 HB3 LYS 31 HB3 LYS 31 14.913 15.818 -9.903 217 HG2 LYS 31 HG2 LYS 31 16.674 14.943 -8.842 218 HG3 LYS 31 HG3 LYS 31 16.765 13.558 -9.934 219 HD2 LYS 31 HD2 LYS 31 18.004 14.787 -11.536 220 HD3 LYS 31 HD3 LYS 31 17.664 16.319 -10.728 221 HE2 LYS 31 HE2 LYS 31 19.893 15.766 -10.175 222 HE3 LYS 31 HE3 LYS 31 18.932 15.404 -8.742 223 HZ1 LYS 31 HZ1 LYS 31 18.855 13.049 -9.645 224 HZ2 LYS 31 HZ2 LYS 31 20.105 13.511 -10.686 225 HZ3 LYS 31 HZ3 LYS 31 20.332 13.576 -9.011 226 H HIS 32 H HIS 32 12.473 14.828 -9.269 227 HA HIS 32 HA HIS 32 13.161 13.565 -6.795 228 HB2 HIS 32 HB2 HIS 32 10.803 15.207 -7.705 229 HB3 HIS 32 HB3 HIS 32 10.871 14.489 -6.098 230 HD1 HIS 32 HD1 HIS 32 11.496 16.235 -4.476 231 HD2 HIS 32 HD2 HIS 32 13.563 16.657 -8.055 232 HE1 HIS 32 HE1 HIS 32 13.038 18.193 -4.136 233 H GLY 33 H GLY 33 11.013 12.845 -9.448 234 HA2 GLY 33 HA2 GLY 33 10.513 10.442 -9.727 235 HA3 GLY 33 HA3 GLY 33 10.157 10.410 -8.006 236 H ALA 34 H ALA 34 9.179 13.008 -10.148 237 HA ALA 34 HA ALA 34 6.377 12.217 -9.699 238 HB1 ALA 34 HB1 ALA 34 7.655 14.624 -9.146 239 HB2 ALA 34 HB2 ALA 34 6.710 14.940 -10.602 240 HB3 ALA 34 HB3 ALA 34 5.917 14.323 -9.152 241 H GLU 35 H GLU 35 4.846 12.689 -11.422 242 HA GLU 35 HA GLU 35 5.694 11.698 -13.914 243 HB2 GLU 35 HB2 GLU 35 3.284 11.988 -12.713 244 HB3 GLU 35 HB3 GLU 35 3.217 13.311 -13.868 245 HG2 GLU 35 HG2 GLU 35 2.241 11.498 -14.965 246 HG3 GLU 35 HG3 GLU 35 3.868 11.609 -15.631 247 H SER 36 H SER 36 4.857 14.987 -12.870 248 HA SER 36 HA SER 36 6.679 16.127 -14.775 249 HB2 SER 36 HB2 SER 36 3.707 16.586 -15.129 250 HB3 SER 36 HB3 SER 36 4.975 17.483 -15.963 251 HG SER 36 HG SER 36 3.947 15.033 -16.514 252 H GLY 37 H GLY 37 6.015 18.703 -14.823 253 HA2 GLY 37 HA2 GLY 37 5.099 19.650 -12.258 254 HA3 GLY 37 HA3 GLY 37 6.836 19.798 -12.478 255 H GLU 38 H GLU 38 4.588 21.799 -12.252 256 HA GLU 38 HA GLU 38 5.441 23.438 -14.522 257 HB2 GLU 38 HB2 GLU 38 3.227 24.120 -15.089 258 HB3 GLU 38 HB3 GLU 38 3.232 22.362 -15.056 259 HG2 GLU 38 HG2 GLU 38 2.411 22.671 -12.610 260 HG3 GLU 38 HG3 GLU 38 1.969 24.287 -13.160 261 H CYS 39 H CYS 39 5.109 25.729 -14.196 262 HA CYS 39 HA CYS 39 5.418 26.447 -11.393 263 HB2 CYS 39 HB2 CYS 39 5.845 27.955 -13.971 264 HB3 CYS 39 HB3 CYS 39 5.955 28.728 -12.393 265 H LYS 40 H LYS 40 3.841 27.274 -10.200 266 HA LYS 40 HA LYS 40 1.519 28.464 -11.574 267 HB2 LYS 40 HB2 LYS 40 1.702 26.452 -9.426 268 HB3 LYS 40 HB3 LYS 40 0.517 27.723 -9.153 269 HG2 LYS 40 HG2 LYS 40 -0.809 27.051 -10.878 270 HG3 LYS 40 HG3 LYS 40 0.540 26.391 -11.806 271 HD2 LYS 40 HD2 LYS 40 -0.153 24.382 -11.120 272 HD3 LYS 40 HD3 LYS 40 0.486 24.820 -9.535 273 HE2 LYS 40 HE2 LYS 40 -2.233 25.783 -10.194 274 HE3 LYS 40 HE3 LYS 40 -2.048 24.049 -9.933 275 HZ1 LYS 40 HZ1 LYS 40 -0.674 25.101 -7.867 276 HZ2 LYS 40 HZ2 LYS 40 -1.937 26.215 -8.037 277 HZ3 LYS 40 HZ3 LYS 40 -2.280 24.577 -7.789 278 H TRP 41 H TRP 41 1.289 30.561 -11.205 279 HA TRP 41 HA TRP 41 2.761 31.859 -9.091 280 HB2 TRP 41 HB2 TRP 41 2.191 32.691 -11.541 281 HB3 TRP 41 HB3 TRP 41 0.748 33.317 -10.748 282 HD1 TRP 41 HD1 TRP 41 4.373 33.329 -9.376 283 HE1 TRP 41 HE1 TRP 41 5.017 35.767 -8.863 284 HE3 TRP 41 HE3 TRP 41 0.165 35.662 -11.104 285 HZ2 TRP 41 HZ2 TRP 41 3.890 38.339 -9.151 286 HZ3 TRP 41 HZ3 TRP 41 0.027 38.113 -10.947 287 HH2 TRP 41 HH2 TRP 41 1.852 39.422 -9.991 288 H PHE 42 H PHE 42 1.914 31.413 -7.116 289 HA PHE 42 HA PHE 42 -0.932 31.483 -6.648 290 HB2 PHE 42 HB2 PHE 42 0.786 29.961 -5.481 291 HB3 PHE 42 HB3 PHE 42 1.187 31.376 -4.512 292 HD1 PHE 42 HD1 PHE 42 -2.065 30.018 -5.730 293 HD2 PHE 42 HD2 PHE 42 0.354 31.078 -2.392 294 HE1 PHE 42 HE1 PHE 42 -3.935 29.506 -4.217 295 HE2 PHE 42 HE2 PHE 42 -1.513 30.566 -0.873 296 HZ PHE 42 HZ PHE 42 -3.661 29.779 -1.785 297 H THR 43 H THR 43 1.847 33.543 -6.046 298 HA THR 43 HA THR 43 0.133 35.829 -5.687 299 HB THR 43 HB THR 43 0.243 34.793 -3.391 300 HG1 THR 43 HG1 THR 43 -0.213 36.875 -3.182 301 HG21 THR 43 HG21 THR 43 2.987 35.879 -3.072 302 HG22 THR 43 HG22 THR 43 2.192 34.550 -2.230 303 HG23 THR 43 HG23 THR 43 2.822 34.310 -3.860 304 H SER 44 H SER 44 1.766 37.715 -4.791 305 HA SER 44 HA SER 44 3.802 37.840 -6.858 306 HB2 SER 44 HB2 SER 44 2.272 39.760 -6.466 307 HB3 SER 44 HB3 SER 44 2.965 39.952 -4.856 308 HG SER 44 HG SER 44 4.251 41.251 -5.935 309 H SER 45 H SER 45 4.190 36.044 -4.598 310 HA SER 45 HA SER 45 6.478 37.308 -3.250 311 HB2 SER 45 HB2 SER 45 6.212 35.772 -1.475 312 HB3 SER 45 HB3 SER 45 4.567 36.242 -1.904 313 HG SER 45 HG SER 45 5.404 33.834 -1.723 314 H GLY 46 H GLY 46 6.155 35.883 -5.993 315 HA2 GLY 46 HA2 GLY 46 8.129 35.085 -7.140 316 HA3 GLY 46 HA3 GLY 46 8.579 34.236 -5.668 317 H ASN 47 H ASN 47 8.054 33.397 -8.544 318 HA ASN 47 HA ASN 47 5.735 31.768 -8.548 319 HB2 ASN 47 HB2 ASN 47 6.933 30.626 -10.497 320 HB3 ASN 47 HB3 ASN 47 6.604 32.348 -10.669 321 HD21 ASN 47 HD21 ASN 47 8.207 33.284 -11.692 322 HD22 ASN 47 HD22 ASN 47 9.892 32.998 -11.431 323 H ALA 48 H ALA 48 5.504 29.551 -8.254 324 HA ALA 48 HA ALA 48 7.721 28.237 -6.823 325 HB1 ALA 48 HB1 ALA 48 6.278 27.321 -5.282 326 HB2 ALA 48 HB2 ALA 48 5.526 28.890 -5.567 327 HB3 ALA 48 HB3 ALA 48 4.883 27.448 -6.352 328 H CYS 49 H CYS 49 7.670 25.842 -6.933 329 HA CYS 49 HA CYS 49 6.937 24.995 -9.646 330 HB2 CYS 49 HB2 CYS 49 9.272 24.699 -9.196 331 HB3 CYS 49 HB3 CYS 49 8.935 23.907 -7.660 332 H TRP 50 H TRP 50 5.215 23.754 -9.905 333 HA TRP 50 HA TRP 50 4.082 22.378 -7.587 334 HB2 TRP 50 HB2 TRP 50 2.466 23.689 -8.729 335 HB3 TRP 50 HB3 TRP 50 2.983 23.092 -10.304 336 HD1 TRP 50 HD1 TRP 50 2.193 20.593 -10.982 337 HE1 TRP 50 HE1 TRP 50 0.190 19.184 -10.189 338 HE3 TRP 50 HE3 TRP 50 1.008 23.184 -6.738 339 HZ2 TRP 50 HZ2 TRP 50 -1.650 19.173 -8.048 340 HZ3 TRP 50 HZ3 TRP 50 -0.888 22.409 -5.373 341 HH2 TRP 50 HH2 TRP 50 -2.188 20.446 -6.017 342 H CYS 51 H CYS 51 3.813 20.193 -7.460 343 HA CYS 51 HA CYS 51 4.905 18.587 -9.676 344 HB2 CYS 51 HB2 CYS 51 5.357 18.331 -6.711 345 HB3 CYS 51 HB3 CYS 51 5.584 16.961 -7.793 346 H VAL 52 H VAL 52 3.773 16.811 -10.286 347 HA VAL 52 HA VAL 52 1.151 16.444 -9.035 348 HB VAL 52 HB VAL 52 1.082 16.800 -11.422 349 HG11 VAL 52 HG11 VAL 52 2.098 14.853 -12.845 350 HG12 VAL 52 HG12 VAL 52 3.112 16.197 -12.322 351 HG13 VAL 52 HG13 VAL 52 3.164 14.663 -11.453 352 HG21 VAL 52 HG21 VAL 52 0.546 13.903 -10.770 353 HG22 VAL 52 HG22 VAL 52 -0.550 15.250 -10.460 354 HG23 VAL 52 HG23 VAL 52 -0.144 14.808 -12.118 355 H LYS 53 H LYS 53 0.395 14.436 -8.362 356 HA LYS 53 HA LYS 53 0.684 12.538 -7.092 357 HB2 LYS 53 HB2 LYS 53 1.332 10.622 -8.441 358 HB3 LYS 53 HB3 LYS 53 0.316 11.705 -9.382 359 HG2 LYS 53 HG2 LYS 53 2.071 12.399 -10.723 360 HG3 LYS 53 HG3 LYS 53 3.294 11.902 -9.550 361 HD2 LYS 53 HD2 LYS 53 1.696 9.650 -10.379 362 HD3 LYS 53 HD3 LYS 53 2.396 10.469 -11.778 363 HE2 LYS 53 HE2 LYS 53 4.601 10.399 -10.521 364 HE3 LYS 53 HE3 LYS 53 3.816 9.285 -9.405 365 HZ1 LYS 53 HZ1 LYS 53 3.769 7.634 -10.938 366 HZ2 LYS 53 HZ2 LYS 53 3.628 8.685 -12.257 367 HZ3 LYS 53 HZ3 LYS 53 5.132 8.453 -11.517 368 H LEU 54 H LEU 54 2.633 14.374 -6.391 369 HA LEU 54 HA LEU 54 5.258 13.281 -6.492 370 HB2 LEU 54 HB2 LEU 54 4.400 15.711 -5.995 371 HB3 LEU 54 HB3 LEU 54 4.394 15.143 -4.327 372 HG LEU 54 HG LEU 54 6.791 14.658 -4.488 373 HD11 LEU 54 HD11 LEU 54 6.298 14.878 -7.271 374 HD12 LEU 54 HD12 LEU 54 7.457 16.129 -6.823 375 HD13 LEU 54 HD13 LEU 54 7.796 14.439 -6.449 376 HD21 LEU 54 HD21 LEU 54 5.608 17.086 -4.171 377 HD22 LEU 54 HD22 LEU 54 7.325 16.764 -3.930 378 HD23 LEU 54 HD23 LEU 54 6.757 17.423 -5.465 379 HA PRO 55 HA PRO 55 4.841 10.195 -3.352 380 HB2 PRO 55 HB2 PRO 55 7.488 9.713 -2.985 381 HB3 PRO 55 HB3 PRO 55 6.592 9.132 -4.393 382 HG2 PRO 55 HG2 PRO 55 8.371 11.527 -4.134 383 HG3 PRO 55 HG3 PRO 55 8.272 10.344 -5.452 384 HD2 PRO 55 HD2 PRO 55 7.100 12.781 -5.591 385 HD3 PRO 55 HD3 PRO 55 6.416 11.346 -6.380 386 H LYS 56 H LYS 56 4.847 10.116 -1.154 387 HA LYS 56 HA LYS 56 5.139 12.439 0.349 388 HB2 LYS 56 HB2 LYS 56 4.922 9.534 1.037 389 HB3 LYS 56 HB3 LYS 56 5.285 10.693 2.309 390 HG2 LYS 56 HG2 LYS 56 3.229 11.736 2.127 391 HG3 LYS 56 HG3 LYS 56 2.959 11.140 0.487 392 HD2 LYS 56 HD2 LYS 56 2.267 9.073 1.206 393 HD3 LYS 56 HD3 LYS 56 3.195 9.164 2.705 394 HE2 LYS 56 HE2 LYS 56 1.535 11.111 3.258 395 HE3 LYS 56 HE3 LYS 56 0.523 10.325 2.046 396 HZ1 LYS 56 HZ1 LYS 56 1.655 8.530 4.003 397 HZ2 LYS 56 HZ2 LYS 56 0.582 9.667 4.651 398 HZ3 LYS 56 HZ3 LYS 56 0.072 8.632 3.414 399 H SER 57 H SER 57 7.454 9.953 -0.454 400 HA SER 57 HA SER 57 9.406 10.338 1.459 401 HB2 SER 57 HB2 SER 57 9.769 9.766 -1.491 402 HB3 SER 57 HB3 SER 57 11.024 9.572 -0.267 403 HG SER 57 HG SER 57 9.898 7.919 0.636 404 H GLU 58 H GLU 58 8.667 12.283 -1.373 405 HA GLU 58 HA GLU 58 10.979 13.967 -1.086 406 HB2 GLU 58 HB2 GLU 58 8.473 14.261 -2.749 407 HB3 GLU 58 HB3 GLU 58 9.841 15.363 -2.822 408 HG2 GLU 58 HG2 GLU 58 10.005 12.417 -3.407 409 HG3 GLU 58 HG3 GLU 58 9.795 13.669 -4.631 410 HA PRO 59 HA PRO 59 9.478 16.914 1.796 411 HB2 PRO 59 HB2 PRO 59 10.638 19.191 0.877 412 HB3 PRO 59 HB3 PRO 59 11.547 17.905 1.680 413 HG2 PRO 59 HG2 PRO 59 11.255 18.476 -1.243 414 HG3 PRO 59 HG3 PRO 59 12.707 18.027 -0.332 415 HD2 PRO 59 HD2 PRO 59 11.305 16.243 -1.810 416 HD3 PRO 59 HD3 PRO 59 12.162 15.787 -0.323 417 H ILE 60 H ILE 60 8.150 18.824 2.052 418 HA ILE 60 HA ILE 60 6.803 19.847 -0.313 419 HB ILE 60 HB ILE 60 4.548 19.438 0.725 420 HG12 ILE 60 HG12 ILE 60 6.112 17.466 2.406 421 HG13 ILE 60 HG13 ILE 60 5.348 18.935 3.004 422 HG21 ILE 60 HG21 ILE 60 4.315 17.261 -0.216 423 HG22 ILE 60 HG22 ILE 60 5.529 18.119 -1.165 424 HG23 ILE 60 HG23 ILE 60 6.028 16.913 0.020 425 HD11 ILE 60 HD11 ILE 60 3.494 17.795 3.359 426 HD12 ILE 60 HD12 ILE 60 3.372 17.460 1.633 427 HD13 ILE 60 HD13 ILE 60 4.236 16.343 2.689 428 H LYS 61 H LYS 61 5.801 21.835 -0.001 429 HA LYS 61 HA LYS 61 6.890 23.577 1.840 430 HB2 LYS 61 HB2 LYS 61 5.762 24.356 -0.165 431 HB3 LYS 61 HB3 LYS 61 4.221 23.752 0.430 432 HG2 LYS 61 HG2 LYS 61 4.369 26.157 0.691 433 HG3 LYS 61 HG3 LYS 61 4.293 25.362 2.265 434 HD2 LYS 61 HD2 LYS 61 6.583 25.728 2.675 435 HD3 LYS 61 HD3 LYS 61 6.904 26.127 0.986 436 HE2 LYS 61 HE2 LYS 61 6.870 28.096 2.512 437 HE3 LYS 61 HE3 LYS 61 5.719 28.196 1.180 438 HZ1 LYS 61 HZ1 LYS 61 3.999 28.212 2.580 439 HZ2 LYS 61 HZ2 LYS 61 4.637 26.987 3.557 440 HZ3 LYS 61 HZ3 LYS 61 5.125 28.592 3.785 441 H VAL 62 H VAL 62 6.545 24.043 3.921 442 HA VAL 62 HA VAL 62 4.077 23.055 5.190 443 HB VAL 62 HB VAL 62 5.522 22.704 7.270 444 HG11 VAL 62 HG11 VAL 62 5.751 20.463 6.781 445 HG12 VAL 62 HG12 VAL 62 4.575 20.968 5.568 446 HG13 VAL 62 HG13 VAL 62 6.270 20.768 5.124 447 HG21 VAL 62 HG21 VAL 62 7.757 22.864 7.187 448 HG22 VAL 62 HG22 VAL 62 7.845 22.088 5.606 449 HG23 VAL 62 HG23 VAL 62 7.489 23.811 5.723 450 HA PRO 63 HA PRO 63 3.605 27.055 6.933 451 HB2 PRO 63 HB2 PRO 63 2.463 26.469 9.325 452 HB3 PRO 63 HB3 PRO 63 1.603 26.320 7.788 453 HG2 PRO 63 HG2 PRO 63 2.932 24.198 9.427 454 HG3 PRO 63 HG3 PRO 63 1.367 24.153 8.596 455 HD2 PRO 63 HD2 PRO 63 3.596 23.007 7.570 456 HD3 PRO 63 HD3 PRO 63 2.326 23.711 6.547 457 H GLY 64 H GLY 64 5.206 28.302 7.661 458 HA2 GLY 64 HA2 GLY 64 6.193 28.216 10.284 459 HA3 GLY 64 HA3 GLY 64 7.346 27.391 9.247 460 H LYS 65 H LYS 65 8.897 28.601 8.400 461 HA LYS 65 HA LYS 65 8.428 31.231 7.385 462 HB2 LYS 65 HB2 LYS 65 9.542 30.882 10.099 463 HB3 LYS 65 HB3 LYS 65 10.419 31.996 9.059 464 HG2 LYS 65 HG2 LYS 65 7.992 32.937 8.617 465 HG3 LYS 65 HG3 LYS 65 7.687 32.206 10.196 466 HD2 LYS 65 HD2 LYS 65 8.359 34.305 10.833 467 HD3 LYS 65 HD3 LYS 65 9.909 33.462 10.838 468 HE2 LYS 65 HE2 LYS 65 10.317 34.284 8.542 469 HE3 LYS 65 HE3 LYS 65 8.808 35.190 8.625 470 HZ1 LYS 65 HZ1 LYS 65 11.370 35.862 9.667 471 HZ2 LYS 65 HZ2 LYS 65 10.000 36.837 9.479 472 HZ3 LYS 65 HZ3 LYS 65 10.192 35.908 10.880 473 H CYS 66 H CYS 66 9.574 31.162 5.577 474 HA CYS 66 HA CYS 66 11.751 29.404 5.153 475 HB2 CYS 66 HB2 CYS 66 10.410 30.072 3.277 476 HB3 CYS 66 HB3 CYS 66 10.741 31.775 3.576 477 H HIS 67 H HIS 67 13.917 29.699 5.251 478 HA HIS 67 HA HIS 67 14.913 31.877 6.813 479 HB2 HIS 67 HB2 HIS 67 16.104 29.454 5.528 480 HB3 HIS 67 HB3 HIS 67 17.176 30.748 6.058 481 HD1 HIS 67 HD1 HIS 67 17.482 31.073 8.582 482 HD2 HIS 67 HD2 HIS 67 14.818 28.041 7.598 483 HE1 HIS 67 HE1 HIS 67 17.075 29.815 10.721 Start of MODEL 18 1 H1 GLY 1 H GLY 1 1.067 -1.272 -0.412 2 HA2 GLY 1 HA2 GLY 1 3.483 -0.725 -1.076 3 HA3 GLY 1 HA3 GLY 1 2.335 -0.860 -2.400 4 H GLU 2 H GLU 2 2.349 0.759 -3.800 5 HA GLU 2 HA GLU 2 3.870 3.123 -3.317 6 HB2 GLU 2 HB2 GLU 2 3.282 1.828 -5.557 7 HB3 GLU 2 HB3 GLU 2 1.942 2.966 -5.585 8 HG2 GLU 2 HG2 GLU 2 3.472 4.831 -5.544 9 HG3 GLU 2 HG3 GLU 2 4.845 3.736 -5.390 10 H GLU 3 H GLU 3 3.144 5.278 -3.228 11 HA GLU 3 HA GLU 3 0.364 5.929 -3.100 12 HB2 GLU 3 HB2 GLU 3 0.381 6.676 -0.727 13 HB3 GLU 3 HB3 GLU 3 0.502 4.933 -0.912 14 HG2 GLU 3 HG2 GLU 3 2.954 5.122 -0.597 15 HG3 GLU 3 HG3 GLU 3 2.737 6.841 -0.269 16 H VAL 4 H VAL 4 0.188 7.933 -3.841 17 HA VAL 4 HA VAL 4 2.199 9.932 -3.122 18 HB VAL 4 HB VAL 4 2.207 10.739 -5.521 19 HG11 VAL 4 HG11 VAL 4 3.486 8.142 -5.763 20 HG12 VAL 4 HG12 VAL 4 4.201 9.754 -5.703 21 HG13 VAL 4 HG13 VAL 4 3.804 8.909 -4.206 22 HG21 VAL 4 HG21 VAL 4 0.302 9.557 -6.380 23 HG22 VAL 4 HG22 VAL 4 1.739 8.993 -7.233 24 HG23 VAL 4 HG23 VAL 4 1.022 8.001 -5.963 25 H ARG 5 H ARG 5 1.509 12.151 -3.796 26 HA ARG 5 HA ARG 5 -1.331 12.511 -4.263 27 HB2 ARG 5 HB2 ARG 5 -1.882 13.557 -2.262 28 HB3 ARG 5 HB3 ARG 5 -0.850 12.238 -1.726 29 HG2 ARG 5 HG2 ARG 5 -0.007 15.105 -2.100 30 HG3 ARG 5 HG3 ARG 5 -0.316 14.298 -0.560 31 HD2 ARG 5 HD2 ARG 5 1.475 12.597 -1.565 32 HD3 ARG 5 HD3 ARG 5 1.987 14.057 -2.411 33 HE ARG 5 HE ARG 5 1.631 14.383 0.433 34 HH11 ARG 5 HH11 ARG 5 3.836 13.543 -2.128 35 HH12 ARG 5 HH12 ARG 5 5.254 13.916 -1.205 36 HH21 ARG 5 HH21 ARG 5 3.491 14.877 1.658 37 HH22 ARG 5 HH22 ARG 5 5.057 14.673 0.948 38 H ASP 6 H ASP 6 -1.902 14.760 -4.663 39 HA ASP 6 HA ASP 6 0.277 16.152 -5.990 40 HB2 ASP 6 HB2 ASP 6 -1.622 17.677 -6.747 41 HB3 ASP 6 HB3 ASP 6 -1.684 16.009 -7.310 42 H ALA 7 H ALA 7 1.448 17.591 -4.924 43 HA ALA 7 HA ALA 7 0.141 19.585 -3.268 44 HB1 ALA 7 HB1 ALA 7 2.416 18.713 -1.784 45 HB2 ALA 7 HB2 ALA 7 0.725 18.775 -1.287 46 HB3 ALA 7 HB3 ALA 7 1.359 17.333 -2.081 47 H TYR 8 H TYR 8 1.657 21.319 -2.610 48 HA TYR 8 HA TYR 8 3.367 22.000 -4.817 49 HB2 TYR 8 HB2 TYR 8 2.321 23.384 -2.404 50 HB3 TYR 8 HB3 TYR 8 3.817 24.004 -3.096 51 HD1 TYR 8 HD1 TYR 8 0.226 23.754 -3.469 52 HD2 TYR 8 HD2 TYR 8 3.836 24.824 -5.450 53 HE1 TYR 8 HE1 TYR 8 -1.073 24.989 -5.153 54 HE2 TYR 8 HE2 TYR 8 2.548 26.064 -7.139 55 HH TYR 8 HH TYR 8 0.342 27.150 -7.341 56 H ILE 9 H ILE 9 5.362 21.235 -4.977 57 HA ILE 9 HA ILE 9 6.820 20.126 -2.822 58 HB ILE 9 HB ILE 9 7.113 19.560 -5.266 59 HG12 ILE 9 HG12 ILE 9 9.592 20.274 -3.683 60 HG13 ILE 9 HG13 ILE 9 8.672 18.779 -3.539 61 HG21 ILE 9 HG21 ILE 9 9.188 21.549 -5.673 62 HG22 ILE 9 HG22 ILE 9 7.884 21.040 -6.745 63 HG23 ILE 9 HG23 ILE 9 7.586 22.268 -5.515 64 HD11 ILE 9 HD11 ILE 9 10.829 19.345 -5.252 65 HD12 ILE 9 HD12 ILE 9 9.871 17.868 -5.151 66 HD13 ILE 9 HD13 ILE 9 9.399 19.151 -6.265 67 H ALA 10 H ALA 10 8.695 20.871 -1.783 68 HA ALA 10 HA ALA 10 9.499 23.640 -2.166 69 HB1 ALA 10 HB1 ALA 10 7.982 24.238 -0.574 70 HB2 ALA 10 HB2 ALA 10 8.015 22.659 0.210 71 HB3 ALA 10 HB3 ALA 10 9.332 23.803 0.474 72 H GLN 11 H GLN 11 11.614 23.973 -1.721 73 HA GLN 11 HA GLN 11 13.408 21.893 -1.547 74 HB2 GLN 11 HB2 GLN 11 15.014 23.691 -0.645 75 HB3 GLN 11 HB3 GLN 11 14.296 23.945 -2.230 76 HG2 GLN 11 HG2 GLN 11 12.734 25.516 -1.354 77 HG3 GLN 11 HG3 GLN 11 13.203 25.138 0.302 78 HE21 GLN 11 HE21 GLN 11 14.432 26.435 -2.741 79 HE22 GLN 11 HE22 GLN 11 15.577 27.514 -2.026 80 HA PRO 12 HA PRO 12 13.576 20.502 2.610 81 HB2 PRO 12 HB2 PRO 12 16.227 20.022 2.940 82 HB3 PRO 12 HB3 PRO 12 15.186 19.007 1.936 83 HG2 PRO 12 HG2 PRO 12 17.058 21.193 1.116 84 HG3 PRO 12 HG3 PRO 12 16.798 19.606 0.371 85 HD2 PRO 12 HD2 PRO 12 15.699 21.876 -0.615 86 HD3 PRO 12 HD3 PRO 12 14.897 20.296 -0.734 87 H HIS 13 H HIS 13 15.044 23.408 1.687 88 HA HIS 13 HA HIS 13 15.951 24.061 4.385 89 HB2 HIS 13 HB2 HIS 13 16.292 25.338 1.691 90 HB3 HIS 13 HB3 HIS 13 16.562 26.282 3.153 91 HD1 HIS 13 HD1 HIS 13 18.673 25.155 0.900 92 HD2 HIS 13 HD2 HIS 13 18.190 23.936 4.841 93 HE1 HIS 13 HE1 HIS 13 20.866 24.114 1.554 94 H ASN 14 H ASN 14 13.132 23.682 3.885 95 HA ASN 14 HA ASN 14 11.105 24.668 4.227 96 HB2 ASN 14 HB2 ASN 14 12.341 25.051 6.414 97 HB3 ASN 14 HB3 ASN 14 12.651 26.690 5.850 98 HD21 ASN 14 HD21 ASN 14 9.813 24.572 5.678 99 HD22 ASN 14 HD22 ASN 14 8.729 25.678 6.444 100 H CYS 15 H CYS 15 11.173 25.302 1.917 101 HA CYS 15 HA CYS 15 10.318 27.960 1.578 102 HB2 CYS 15 HB2 CYS 15 13.082 27.787 1.600 103 HB3 CYS 15 HB3 CYS 15 12.687 27.772 -0.115 104 H VAL 16 H VAL 16 9.726 28.441 -0.652 105 HA VAL 16 HA VAL 16 8.892 26.040 -2.034 106 HB VAL 16 HB VAL 16 7.715 27.613 -3.563 107 HG11 VAL 16 HG11 VAL 16 6.249 26.955 -1.957 108 HG12 VAL 16 HG12 VAL 16 7.282 27.497 -0.634 109 HG13 VAL 16 HG13 VAL 16 6.330 28.667 -1.547 110 HG21 VAL 16 HG21 VAL 16 7.830 29.982 -2.024 111 HG22 VAL 16 HG22 VAL 16 9.491 29.490 -2.359 112 HG23 VAL 16 HG23 VAL 16 8.359 29.734 -3.688 113 H TYR 17 H TYR 17 9.885 25.153 -3.721 114 HA TYR 17 HA TYR 17 12.380 25.887 -4.640 115 HB2 TYR 17 HB2 TYR 17 10.224 24.109 -5.641 116 HB3 TYR 17 HB3 TYR 17 11.478 24.557 -6.793 117 HD1 TYR 17 HD1 TYR 17 13.942 24.243 -5.949 118 HD2 TYR 17 HD2 TYR 17 10.565 22.279 -4.264 119 HE1 TYR 17 HE1 TYR 17 15.421 22.511 -5.020 120 HE2 TYR 17 HE2 TYR 17 12.035 20.542 -3.328 121 HH TYR 17 HH TYR 17 15.248 20.850 -2.969 122 H HIS 18 H HIS 18 13.130 27.415 -5.951 123 HA HIS 18 HA HIS 18 11.223 29.122 -7.351 124 HB2 HIS 18 HB2 HIS 18 13.265 29.864 -5.848 125 HB3 HIS 18 HB3 HIS 18 14.165 29.650 -7.346 126 HD1 HIS 18 HD1 HIS 18 13.754 31.348 -9.228 127 HD2 HIS 18 HD2 HIS 18 11.458 32.021 -5.832 128 HE1 HIS 18 HE1 HIS 18 12.766 33.640 -9.530 129 H CYS 19 H CYS 19 10.675 28.448 -9.323 130 HA CYS 19 HA CYS 19 12.753 27.279 -11.045 131 HB2 CYS 19 HB2 CYS 19 10.974 26.255 -12.315 132 HB3 CYS 19 HB3 CYS 19 10.718 25.905 -10.609 133 H PHE 20 H PHE 20 13.221 28.138 -13.021 134 HA PHE 20 HA PHE 20 12.607 30.890 -13.435 135 HB2 PHE 20 HB2 PHE 20 14.168 28.817 -14.929 136 HB3 PHE 20 HB3 PHE 20 13.775 30.339 -15.722 137 HD1 PHE 20 HD1 PHE 20 14.379 32.495 -14.395 138 HD2 PHE 20 HD2 PHE 20 16.080 28.664 -13.654 139 HE1 PHE 20 HE1 PHE 20 16.304 33.565 -13.298 140 HE2 PHE 20 HE2 PHE 20 18.007 29.728 -12.555 141 HZ PHE 20 HZ PHE 20 18.120 32.182 -12.375 142 H ARG 21 H ARG 21 11.565 27.872 -14.945 143 HA ARG 21 HA ARG 21 9.184 29.188 -15.940 144 HB2 ARG 21 HB2 ARG 21 9.483 28.549 -18.249 145 HB3 ARG 21 HB3 ARG 21 10.858 29.522 -17.744 146 HG2 ARG 21 HG2 ARG 21 11.842 27.091 -17.224 147 HG3 ARG 21 HG3 ARG 21 10.729 26.682 -18.532 148 HD2 ARG 21 HD2 ARG 21 13.036 28.609 -18.580 149 HD3 ARG 21 HD3 ARG 21 12.811 27.154 -19.550 150 HE ARG 21 HE ARG 21 11.717 29.767 -20.056 151 HH11 ARG 21 HH11 ARG 21 11.384 26.351 -20.636 152 HH12 ARG 21 HH12 ARG 21 10.491 26.554 -22.107 153 HH21 ARG 21 HH21 ARG 21 10.541 30.049 -21.991 154 HH22 ARG 21 HH22 ARG 21 10.013 28.658 -22.876 155 H ASP 22 H ASP 22 7.820 27.482 -17.200 156 HA ASP 22 HA ASP 22 7.200 25.406 -15.442 157 HB2 ASP 22 HB2 ASP 22 6.534 25.745 -18.372 158 HB3 ASP 22 HB3 ASP 22 5.823 24.505 -17.341 159 H SER 23 H SER 23 9.236 25.447 -18.316 160 HA SER 23 HA SER 23 9.604 22.699 -18.638 161 HB2 SER 23 HB2 SER 23 11.517 24.972 -19.217 162 HB3 SER 23 HB3 SER 23 11.722 23.319 -19.795 163 HG SER 23 HG SER 23 9.852 23.533 -20.999 164 H TYR 24 H TYR 24 11.220 25.005 -16.524 165 HA TYR 24 HA TYR 24 13.293 23.305 -15.648 166 HB2 TYR 24 HB2 TYR 24 13.170 25.812 -15.355 167 HB3 TYR 24 HB3 TYR 24 12.028 25.531 -14.047 168 HD1 TYR 24 HD1 TYR 24 12.764 24.591 -11.931 169 HD2 TYR 24 HD2 TYR 24 15.524 25.262 -15.099 170 HE1 TYR 24 HE1 TYR 24 14.631 24.315 -10.354 171 HE2 TYR 24 HE2 TYR 24 17.399 24.986 -13.531 172 HH TYR 24 HH TYR 24 17.859 25.123 -11.169 173 H CYS 25 H CYS 25 10.268 24.228 -13.994 174 HA CYS 25 HA CYS 25 10.521 22.423 -11.868 175 HB2 CYS 25 HB2 CYS 25 8.966 24.258 -11.720 176 HB3 CYS 25 HB3 CYS 25 8.066 23.670 -13.114 177 H ASN 26 H ASN 26 9.161 22.050 -15.085 178 HA ASN 26 HA ASN 26 7.767 19.670 -14.767 179 HB2 ASN 26 HB2 ASN 26 7.481 20.743 -16.832 180 HB3 ASN 26 HB3 ASN 26 9.215 20.890 -17.101 181 HD21 ASN 26 HD21 ASN 26 7.274 18.090 -16.162 182 HD22 ASN 26 HD22 ASN 26 7.697 17.118 -17.527 183 H ASP 27 H ASP 27 11.120 20.041 -15.932 184 HA ASP 27 HA ASP 27 11.668 17.248 -15.755 185 HB2 ASP 27 HB2 ASP 27 12.842 19.303 -17.074 186 HB3 ASP 27 HB3 ASP 27 13.948 19.131 -15.714 187 H LEU 28 H LEU 28 12.176 20.009 -13.648 188 HA LEU 28 HA LEU 28 13.951 18.864 -11.818 189 HB2 LEU 28 HB2 LEU 28 13.672 21.149 -11.590 190 HB3 LEU 28 HB3 LEU 28 11.914 21.042 -11.666 191 HG LEU 28 HG LEU 28 11.851 20.167 -9.396 192 HD11 LEU 28 HD11 LEU 28 14.682 19.797 -9.871 193 HD12 LEU 28 HD12 LEU 28 14.374 20.655 -8.361 194 HD13 LEU 28 HD13 LEU 28 13.638 19.077 -8.645 195 HD21 LEU 28 HD21 LEU 28 12.004 22.205 -8.432 196 HD22 LEU 28 HD22 LEU 28 13.633 22.494 -9.045 197 HD23 LEU 28 HD23 LEU 28 12.239 22.728 -10.099 198 H CYS 29 H CYS 29 10.463 18.618 -12.115 199 HA CYS 29 HA CYS 29 10.021 17.370 -9.596 200 HB2 CYS 29 HB2 CYS 29 8.423 17.793 -12.082 201 HB3 CYS 29 HB3 CYS 29 7.870 16.577 -10.934 202 H ILE 30 H ILE 30 10.737 16.196 -12.828 203 HA ILE 30 HA ILE 30 10.151 13.484 -12.451 204 HB ILE 30 HB ILE 30 12.329 14.646 -14.192 205 HG12 ILE 30 HG12 ILE 30 9.475 13.988 -14.941 206 HG13 ILE 30 HG13 ILE 30 10.031 15.611 -14.546 207 HG21 ILE 30 HG21 ILE 30 11.867 12.586 -15.556 208 HG22 ILE 30 HG22 ILE 30 12.641 12.299 -13.997 209 HG23 ILE 30 HG23 ILE 30 10.916 11.988 -14.196 210 HD11 ILE 30 HD11 ILE 30 11.732 15.289 -16.416 211 HD12 ILE 30 HD12 ILE 30 10.747 13.908 -16.900 212 HD13 ILE 30 HD13 ILE 30 10.045 15.526 -16.871 213 H LYS 31 H LYS 31 13.184 15.269 -11.961 214 HA LYS 31 HA LYS 31 14.830 13.150 -11.258 215 HB2 LYS 31 HB2 LYS 31 15.509 15.550 -11.631 216 HB3 LYS 31 HB3 LYS 31 14.923 15.899 -10.009 217 HG2 LYS 31 HG2 LYS 31 16.730 15.012 -9.031 218 HG3 LYS 31 HG3 LYS 31 16.802 13.658 -10.160 219 HD2 LYS 31 HD2 LYS 31 18.729 14.801 -10.699 220 HD3 LYS 31 HD3 LYS 31 17.585 15.487 -11.854 221 HE2 LYS 31 HE2 LYS 31 18.804 17.299 -10.912 222 HE3 LYS 31 HE3 LYS 31 17.187 17.341 -10.211 223 HZ1 LYS 31 HZ1 LYS 31 18.295 17.481 -8.288 224 HZ2 LYS 31 HZ2 LYS 31 18.515 15.811 -8.452 225 HZ3 LYS 31 HZ3 LYS 31 19.737 16.877 -8.936 226 H HIS 32 H HIS 32 12.476 14.907 -9.329 227 HA HIS 32 HA HIS 32 13.240 13.706 -6.844 228 HB2 HIS 32 HB2 HIS 32 10.861 15.326 -7.733 229 HB3 HIS 32 HB3 HIS 32 10.948 14.624 -6.120 230 HD1 HIS 32 HD1 HIS 32 11.464 16.499 -4.592 231 HD2 HIS 32 HD2 HIS 32 13.744 16.659 -8.062 232 HE1 HIS 32 HE1 HIS 32 13.040 18.432 -4.272 233 H GLY 33 H GLY 33 11.033 12.917 -9.428 234 HA2 GLY 33 HA2 GLY 33 10.552 10.500 -9.636 235 HA3 GLY 33 HA3 GLY 33 10.217 10.515 -7.911 236 H ALA 34 H ALA 34 9.198 13.042 -10.118 237 HA ALA 34 HA ALA 34 6.407 12.253 -9.607 238 HB1 ALA 34 HB1 ALA 34 7.666 14.672 -9.120 239 HB2 ALA 34 HB2 ALA 34 6.745 14.955 -10.597 240 HB3 ALA 34 HB3 ALA 34 5.927 14.378 -9.145 241 H GLU 35 H GLU 35 4.849 12.772 -11.335 242 HA GLU 35 HA GLU 35 5.691 11.692 -13.814 243 HB2 GLU 35 HB2 GLU 35 3.416 11.385 -12.995 244 HB3 GLU 35 HB3 GLU 35 3.132 13.118 -13.072 245 HG2 GLU 35 HG2 GLU 35 2.096 12.256 -14.974 246 HG3 GLU 35 HG3 GLU 35 3.615 12.932 -15.558 247 H SER 36 H SER 36 4.817 14.974 -12.790 248 HA SER 36 HA SER 36 6.543 16.124 -14.776 249 HB2 SER 36 HB2 SER 36 3.626 16.852 -15.007 250 HB3 SER 36 HB3 SER 36 4.941 17.234 -16.118 251 HG SER 36 HG SER 36 3.320 15.127 -16.143 252 H GLY 37 H GLY 37 5.916 18.678 -14.816 253 HA2 GLY 37 HA2 GLY 37 5.041 19.653 -12.242 254 HA3 GLY 37 HA3 GLY 37 6.772 19.800 -12.505 255 H GLU 38 H GLU 38 4.528 21.800 -12.246 256 HA GLU 38 HA GLU 38 5.307 23.405 -14.569 257 HB2 GLU 38 HB2 GLU 38 2.975 24.215 -14.818 258 HB3 GLU 38 HB3 GLU 38 3.153 22.505 -15.185 259 HG2 GLU 38 HG2 GLU 38 2.422 22.106 -12.764 260 HG3 GLU 38 HG3 GLU 38 1.888 23.787 -12.795 261 H CYS 39 H CYS 39 5.041 25.699 -14.261 262 HA CYS 39 HA CYS 39 5.549 26.469 -11.517 263 HB2 CYS 39 HB2 CYS 39 5.713 27.880 -14.167 264 HB3 CYS 39 HB3 CYS 39 5.805 28.783 -12.658 265 H LYS 40 H LYS 40 4.386 28.038 -10.358 266 HA LYS 40 HA LYS 40 1.859 28.992 -11.414 267 HB2 LYS 40 HB2 LYS 40 2.082 26.860 -9.354 268 HB3 LYS 40 HB3 LYS 40 0.859 28.097 -9.101 269 HG2 LYS 40 HG2 LYS 40 -0.180 27.574 -11.205 270 HG3 LYS 40 HG3 LYS 40 1.109 26.435 -11.599 271 HD2 LYS 40 HD2 LYS 40 0.409 25.291 -9.366 272 HD3 LYS 40 HD3 LYS 40 -1.096 26.187 -9.592 273 HE2 LYS 40 HE2 LYS 40 -1.435 25.148 -11.745 274 HE3 LYS 40 HE3 LYS 40 0.130 24.344 -11.641 275 HZ1 LYS 40 HZ1 LYS 40 -0.720 22.726 -10.394 276 HZ2 LYS 40 HZ2 LYS 40 -1.562 23.796 -9.391 277 HZ3 LYS 40 HZ3 LYS 40 -2.246 23.294 -10.855 278 H TRP 41 H TRP 41 1.713 31.051 -10.847 279 HA TRP 41 HA TRP 41 3.345 32.114 -8.719 280 HB2 TRP 41 HB2 TRP 41 2.767 33.210 -11.010 281 HB3 TRP 41 HB3 TRP 41 1.276 33.702 -10.209 282 HD1 TRP 41 HD1 TRP 41 5.016 33.834 -9.127 283 HE1 TRP 41 HE1 TRP 41 5.482 36.194 -8.214 284 HE3 TRP 41 HE3 TRP 41 0.388 35.896 -9.810 285 HZ2 TRP 41 HZ2 TRP 41 4.074 38.611 -7.834 286 HZ3 TRP 41 HZ3 TRP 41 0.031 38.238 -9.145 287 HH2 TRP 41 HH2 TRP 41 1.837 39.565 -8.177 288 H PHE 42 H PHE 42 2.508 31.276 -6.814 289 HA PHE 42 HA PHE 42 -0.293 31.706 -6.176 290 HB2 PHE 42 HB2 PHE 42 1.227 29.655 -5.539 291 HB3 PHE 42 HB3 PHE 42 1.700 30.685 -4.191 292 HD1 PHE 42 HD1 PHE 42 -1.478 29.752 -5.919 293 HD2 PHE 42 HD2 PHE 42 0.592 30.272 -2.236 294 HE1 PHE 42 HE1 PHE 42 -3.495 29.062 -4.692 295 HE2 PHE 42 HE2 PHE 42 -1.422 29.582 -1.003 296 HZ PHE 42 HZ PHE 42 -3.470 28.977 -2.230 297 H THR 43 H THR 43 2.869 32.940 -5.268 298 HA THR 43 HA THR 43 1.531 35.136 -3.843 299 HB THR 43 HB THR 43 4.192 34.408 -2.808 300 HG1 THR 43 HG1 THR 43 3.644 32.365 -2.587 301 HG21 THR 43 HG21 THR 43 3.398 35.833 -1.284 302 HG22 THR 43 HG22 THR 43 1.769 35.732 -1.951 303 HG23 THR 43 HG23 THR 43 2.308 34.552 -0.757 304 H SER 44 H SER 44 3.288 36.914 -3.366 305 HA SER 44 HA SER 44 4.406 37.604 -5.958 306 HB2 SER 44 HB2 SER 44 4.776 39.828 -4.956 307 HB3 SER 44 HB3 SER 44 3.108 39.296 -4.748 308 HG SER 44 HG SER 44 4.513 40.182 -2.867 309 H SER 45 H SER 45 5.602 35.516 -4.180 310 HA SER 45 HA SER 45 8.234 36.729 -3.686 311 HB2 SER 45 HB2 SER 45 6.883 34.275 -2.576 312 HB3 SER 45 HB3 SER 45 8.624 34.513 -2.432 313 HG SER 45 HG SER 45 8.079 36.583 -1.444 314 H GLY 46 H GLY 46 6.899 35.588 -6.241 315 HA2 GLY 46 HA2 GLY 46 8.295 34.987 -8.125 316 HA3 GLY 46 HA3 GLY 46 9.254 33.999 -7.033 317 H ASN 47 H ASN 47 8.143 33.117 -9.493 318 HA ASN 47 HA ASN 47 5.740 31.668 -9.099 319 HB2 ASN 47 HB2 ASN 47 6.607 30.365 -11.147 320 HB3 ASN 47 HB3 ASN 47 6.286 32.084 -11.345 321 HD21 ASN 47 HD21 ASN 47 7.699 32.002 -13.161 322 HD22 ASN 47 HD22 ASN 47 9.412 32.050 -12.937 323 H ALA 48 H ALA 48 5.388 29.827 -8.052 324 HA ALA 48 HA ALA 48 7.644 28.359 -6.954 325 HB1 ALA 48 HB1 ALA 48 6.267 28.048 -5.243 326 HB2 ALA 48 HB2 ALA 48 4.988 28.886 -6.122 327 HB3 ALA 48 HB3 ALA 48 5.167 27.139 -6.279 328 H CYS 49 H CYS 49 7.614 25.962 -6.996 329 HA CYS 49 HA CYS 49 6.920 25.031 -9.692 330 HB2 CYS 49 HB2 CYS 49 9.256 24.778 -9.186 331 HB3 CYS 49 HB3 CYS 49 8.892 23.997 -7.650 332 H TRP 50 H TRP 50 5.211 23.767 -9.937 333 HA TRP 50 HA TRP 50 4.077 22.432 -7.592 334 HB2 TRP 50 HB2 TRP 50 2.433 23.702 -8.712 335 HB3 TRP 50 HB3 TRP 50 2.973 23.159 -10.299 336 HD1 TRP 50 HD1 TRP 50 2.196 20.703 -11.084 337 HE1 TRP 50 HE1 TRP 50 0.228 19.221 -10.333 338 HE3 TRP 50 HE3 TRP 50 1.025 23.063 -6.703 339 HZ2 TRP 50 HZ2 TRP 50 -1.580 19.073 -8.171 340 HZ3 TRP 50 HZ3 TRP 50 -0.837 22.189 -5.352 341 HH2 TRP 50 HH2 TRP 50 -2.111 20.236 -6.074 342 H CYS 51 H CYS 51 3.821 20.249 -7.437 343 HA CYS 51 HA CYS 51 4.894 18.621 -9.645 344 HB2 CYS 51 HB2 CYS 51 5.383 18.403 -6.683 345 HB3 CYS 51 HB3 CYS 51 5.599 17.019 -7.749 346 H VAL 52 H VAL 52 3.774 16.817 -10.207 347 HA VAL 52 HA VAL 52 1.169 16.453 -8.914 348 HB VAL 52 HB VAL 52 1.057 16.813 -11.302 349 HG11 VAL 52 HG11 VAL 52 3.138 14.679 -11.363 350 HG12 VAL 52 HG12 VAL 52 2.034 14.838 -12.729 351 HG13 VAL 52 HG13 VAL 52 3.053 16.197 -12.257 352 HG21 VAL 52 HG21 VAL 52 0.540 13.899 -11.200 353 HG22 VAL 52 HG22 VAL 52 -0.266 14.899 -9.991 354 HG23 VAL 52 HG23 VAL 52 -0.510 15.221 -11.709 355 H LYS 53 H LYS 53 0.434 14.437 -8.234 356 HA LYS 53 HA LYS 53 0.756 12.539 -6.974 357 HB2 LYS 53 HB2 LYS 53 1.401 10.630 -8.337 358 HB3 LYS 53 HB3 LYS 53 0.360 11.706 -9.259 359 HG2 LYS 53 HG2 LYS 53 2.090 12.421 -10.623 360 HG3 LYS 53 HG3 LYS 53 3.334 11.925 -9.474 361 HD2 LYS 53 HD2 LYS 53 1.848 9.618 -10.173 362 HD3 LYS 53 HD3 LYS 53 2.244 10.468 -11.669 363 HE2 LYS 53 HE2 LYS 53 4.243 9.488 -11.541 364 HE3 LYS 53 HE3 LYS 53 4.586 10.589 -10.209 365 HZ1 LYS 53 HZ1 LYS 53 4.978 8.193 -9.718 366 HZ2 LYS 53 HZ2 LYS 53 3.921 8.958 -8.642 367 HZ3 LYS 53 HZ3 LYS 53 3.311 7.937 -9.844 368 H LEU 54 H LEU 54 2.705 14.391 -6.305 369 HA LEU 54 HA LEU 54 5.334 13.318 -6.445 370 HB2 LEU 54 HB2 LEU 54 4.455 15.740 -5.923 371 HB3 LEU 54 HB3 LEU 54 4.499 15.164 -4.258 372 HG LEU 54 HG LEU 54 6.898 14.710 -4.485 373 HD11 LEU 54 HD11 LEU 54 7.835 14.492 -6.480 374 HD12 LEU 54 HD12 LEU 54 6.322 14.959 -7.258 375 HD13 LEU 54 HD13 LEU 54 7.505 16.191 -6.819 376 HD21 LEU 54 HD21 LEU 54 7.458 17.257 -5.096 377 HD22 LEU 54 HD22 LEU 54 5.717 17.393 -4.850 378 HD23 LEU 54 HD23 LEU 54 6.744 16.768 -3.560 379 HA PRO 55 HA PRO 55 5.000 10.225 -3.303 380 HB2 PRO 55 HB2 PRO 55 7.656 9.785 -2.958 381 HB3 PRO 55 HB3 PRO 55 6.759 9.193 -4.361 382 HG2 PRO 55 HG2 PRO 55 8.501 11.615 -4.111 383 HG3 PRO 55 HG3 PRO 55 8.410 10.433 -5.430 384 HD2 PRO 55 HD2 PRO 55 7.198 12.851 -5.555 385 HD3 PRO 55 HD3 PRO 55 6.530 11.406 -6.341 386 H LYS 56 H LYS 56 5.155 10.060 -1.089 387 HA LYS 56 HA LYS 56 5.352 12.399 0.427 388 HB2 LYS 56 HB2 LYS 56 4.952 9.553 0.936 389 HB3 LYS 56 HB3 LYS 56 5.827 10.355 2.234 390 HG2 LYS 56 HG2 LYS 56 3.759 12.094 1.688 391 HG3 LYS 56 HG3 LYS 56 3.022 10.501 1.508 392 HD2 LYS 56 HD2 LYS 56 4.230 9.986 3.755 393 HD3 LYS 56 HD3 LYS 56 4.298 11.742 3.914 394 HE2 LYS 56 HE2 LYS 56 2.165 11.821 4.532 395 HE3 LYS 56 HE3 LYS 56 1.669 10.924 3.096 396 HZ1 LYS 56 HZ1 LYS 56 2.836 9.518 5.411 397 HZ2 LYS 56 HZ2 LYS 56 1.194 9.929 5.397 398 HZ3 LYS 56 HZ3 LYS 56 1.822 8.913 4.199 399 H SER 57 H SER 57 7.753 10.025 -0.459 400 HA SER 57 HA SER 57 9.736 10.481 1.406 401 HB2 SER 57 HB2 SER 57 9.997 8.734 -0.228 402 HB3 SER 57 HB3 SER 57 9.978 9.898 -1.553 403 HG SER 57 HG SER 57 12.095 9.454 -1.194 404 H GLU 58 H GLU 58 8.815 12.428 -1.366 405 HA GLU 58 HA GLU 58 11.062 14.214 -1.109 406 HB2 GLU 58 HB2 GLU 58 8.534 14.394 -2.754 407 HB3 GLU 58 HB3 GLU 58 9.855 15.551 -2.838 408 HG2 GLU 58 HG2 GLU 58 10.151 12.614 -3.415 409 HG3 GLU 58 HG3 GLU 58 9.854 13.843 -4.643 410 HA PRO 59 HA PRO 59 9.426 17.072 1.793 411 HB2 PRO 59 HB2 PRO 59 10.469 19.405 0.877 412 HB3 PRO 59 HB3 PRO 59 11.444 18.165 1.672 413 HG2 PRO 59 HG2 PRO 59 11.112 18.731 -1.249 414 HG3 PRO 59 HG3 PRO 59 12.589 18.351 -0.343 415 HD2 PRO 59 HD2 PRO 59 11.272 16.505 -1.823 416 HD3 PRO 59 HD3 PRO 59 12.156 16.087 -0.341 417 H ILE 60 H ILE 60 8.026 18.939 2.051 418 HA ILE 60 HA ILE 60 6.607 19.879 -0.307 419 HB ILE 60 HB ILE 60 4.384 19.381 0.764 420 HG12 ILE 60 HG12 ILE 60 6.038 17.466 2.422 421 HG13 ILE 60 HG13 ILE 60 5.267 18.926 3.034 422 HG21 ILE 60 HG21 ILE 60 5.617 18.043 -1.085 423 HG22 ILE 60 HG22 ILE 60 5.794 16.815 0.167 424 HG23 ILE 60 HG23 ILE 60 4.186 17.349 -0.322 425 HD11 ILE 60 HD11 ILE 60 3.305 17.367 1.700 426 HD12 ILE 60 HD12 ILE 60 4.191 16.329 2.817 427 HD13 ILE 60 HD13 ILE 60 3.410 17.796 3.407 428 H LYS 61 H LYS 61 5.521 21.823 -0.000 429 HA LYS 61 HA LYS 61 6.552 23.626 1.818 430 HB2 LYS 61 HB2 LYS 61 4.778 23.743 -0.293 431 HB3 LYS 61 HB3 LYS 61 3.785 24.223 1.077 432 HG2 LYS 61 HG2 LYS 61 6.376 25.494 0.215 433 HG3 LYS 61 HG3 LYS 61 4.756 26.164 0.015 434 HD2 LYS 61 HD2 LYS 61 6.090 25.554 2.653 435 HD3 LYS 61 HD3 LYS 61 5.930 27.156 1.930 436 HE2 LYS 61 HE2 LYS 61 3.656 25.349 2.750 437 HE3 LYS 61 HE3 LYS 61 4.223 26.761 3.641 438 HZ1 LYS 61 HZ1 LYS 61 2.474 26.623 1.386 439 HZ2 LYS 61 HZ2 LYS 61 2.746 27.901 2.461 440 HZ3 LYS 61 HZ3 LYS 61 3.756 27.695 1.119 441 H VAL 62 H VAL 62 6.345 23.844 3.938 442 HA VAL 62 HA VAL 62 3.861 22.900 5.218 443 HB VAL 62 HB VAL 62 5.355 22.492 7.261 444 HG11 VAL 62 HG11 VAL 62 6.235 20.285 6.060 445 HG12 VAL 62 HG12 VAL 62 4.533 20.533 6.451 446 HG13 VAL 62 HG13 VAL 62 5.114 20.836 4.814 447 HG21 VAL 62 HG21 VAL 62 7.611 22.490 7.097 448 HG22 VAL 62 HG22 VAL 62 7.598 21.959 5.416 449 HG23 VAL 62 HG23 VAL 62 7.293 23.650 5.808 450 HA PRO 63 HA PRO 63 3.451 26.851 7.086 451 HB2 PRO 63 HB2 PRO 63 2.362 26.204 9.487 452 HB3 PRO 63 HB3 PRO 63 1.465 26.102 7.967 453 HG2 PRO 63 HG2 PRO 63 2.822 23.928 9.516 454 HG3 PRO 63 HG3 PRO 63 1.238 23.914 8.720 455 HD2 PRO 63 HD2 PRO 63 3.435 22.786 7.611 456 HD3 PRO 63 HD3 PRO 63 2.147 23.524 6.638 457 H GLY 64 H GLY 64 5.097 28.055 7.787 458 HA2 GLY 64 HA2 GLY 64 6.161 27.814 10.400 459 HA3 GLY 64 HA3 GLY 64 7.295 27.141 9.237 460 H LYS 65 H LYS 65 8.587 28.483 8.111 461 HA LYS 65 HA LYS 65 8.005 31.157 7.466 462 HB2 LYS 65 HB2 LYS 65 8.409 31.130 10.068 463 HB3 LYS 65 HB3 LYS 65 10.103 31.076 9.596 464 HG2 LYS 65 HG2 LYS 65 10.079 33.195 8.744 465 HG3 LYS 65 HG3 LYS 65 8.359 33.137 8.355 466 HD2 LYS 65 HD2 LYS 65 9.299 33.112 11.203 467 HD3 LYS 65 HD3 LYS 65 9.137 34.628 10.313 468 HE2 LYS 65 HE2 LYS 65 6.940 32.595 10.678 469 HE3 LYS 65 HE3 LYS 65 7.130 34.055 11.646 470 HZ1 LYS 65 HZ1 LYS 65 5.864 35.029 10.118 471 HZ2 LYS 65 HZ2 LYS 65 7.193 34.952 9.075 472 HZ3 LYS 65 HZ3 LYS 65 6.013 33.741 9.031 473 H CYS 66 H CYS 66 9.058 31.271 5.604 474 HA CYS 66 HA CYS 66 11.317 29.682 4.971 475 HB2 CYS 66 HB2 CYS 66 9.848 30.350 3.198 476 HB3 CYS 66 HB3 CYS 66 10.063 32.055 3.586 477 H HIS 67 H HIS 67 13.468 30.155 4.887 478 HA HIS 67 HA HIS 67 14.300 32.811 5.844 479 HB2 HIS 67 HB2 HIS 67 16.034 31.813 7.194 480 HB3 HIS 67 HB3 HIS 67 14.493 31.082 7.632 481 HD1 HIS 67 HD1 HIS 67 17.853 30.281 6.376 482 HD2 HIS 67 HD2 HIS 67 14.164 28.391 6.661 483 HE1 HIS 67 HE1 HIS 67 18.320 27.837 6.012 Start of MODEL 19 1 H1 GLY 1 H GLY 1 0.463 -1.623 -2.294 2 HA2 GLY 1 HA2 GLY 1 1.837 -0.536 -0.330 3 HA3 GLY 1 HA3 GLY 1 2.667 -0.966 -1.819 4 H GLU 2 H GLU 2 2.711 0.743 -3.526 5 HA GLU 2 HA GLU 2 3.892 3.071 -2.568 6 HB2 GLU 2 HB2 GLU 2 3.769 3.904 -4.855 7 HB3 GLU 2 HB3 GLU 2 4.237 2.209 -4.840 8 HG2 GLU 2 HG2 GLU 2 1.359 2.868 -5.142 9 HG3 GLU 2 HG3 GLU 2 2.432 3.134 -6.515 10 H GLU 3 H GLU 3 3.180 5.308 -2.821 11 HA GLU 3 HA GLU 3 0.400 5.913 -3.091 12 HB2 GLU 3 HB2 GLU 3 0.088 6.775 -0.782 13 HB3 GLU 3 HB3 GLU 3 0.269 5.028 -0.851 14 HG2 GLU 3 HG2 GLU 3 2.765 5.514 -0.370 15 HG3 GLU 3 HG3 GLU 3 2.176 7.083 0.173 16 H VAL 4 H VAL 4 0.243 7.912 -3.869 17 HA VAL 4 HA VAL 4 2.236 9.918 -3.094 18 HB VAL 4 HB VAL 4 2.276 10.699 -5.505 19 HG11 VAL 4 HG11 VAL 4 3.680 8.495 -4.250 20 HG12 VAL 4 HG12 VAL 4 3.680 8.366 -6.009 21 HG13 VAL 4 HG13 VAL 4 4.306 9.820 -5.230 22 HG21 VAL 4 HG21 VAL 4 0.358 9.486 -6.338 23 HG22 VAL 4 HG22 VAL 4 1.802 8.972 -7.209 24 HG23 VAL 4 HG23 VAL 4 1.124 7.946 -5.946 25 H ARG 5 H ARG 5 1.569 12.117 -3.495 26 HA ARG 5 HA ARG 5 -1.266 12.510 -4.093 27 HB2 ARG 5 HB2 ARG 5 -1.787 13.607 -2.100 28 HB3 ARG 5 HB3 ARG 5 -0.818 12.241 -1.565 29 HG2 ARG 5 HG2 ARG 5 0.187 15.054 -1.948 30 HG3 ARG 5 HG3 ARG 5 -0.221 14.306 -0.402 31 HD2 ARG 5 HD2 ARG 5 1.482 12.477 -1.189 32 HD3 ARG 5 HD3 ARG 5 2.079 13.772 -2.227 33 HE ARG 5 HE ARG 5 3.058 14.692 -0.391 34 HH11 ARG 5 HH11 ARG 5 0.443 12.652 0.666 35 HH12 ARG 5 HH12 ARG 5 0.777 12.876 2.352 36 HH21 ARG 5 HH21 ARG 5 3.507 14.996 1.825 37 HH22 ARG 5 HH22 ARG 5 2.519 14.210 3.009 38 H ASP 6 H ASP 6 -1.815 14.702 -4.615 39 HA ASP 6 HA ASP 6 0.383 16.089 -5.900 40 HB2 ASP 6 HB2 ASP 6 -1.496 17.597 -6.723 41 HB3 ASP 6 HB3 ASP 6 -1.562 15.916 -7.244 42 H ALA 7 H ALA 7 1.539 17.539 -4.829 43 HA ALA 7 HA ALA 7 0.201 19.562 -3.231 44 HB1 ALA 7 HB1 ALA 7 2.445 18.733 -1.687 45 HB2 ALA 7 HB2 ALA 7 0.742 18.768 -1.232 46 HB3 ALA 7 HB3 ALA 7 1.421 17.330 -1.994 47 H TYR 8 H TYR 8 1.732 21.290 -2.545 48 HA TYR 8 HA TYR 8 3.442 21.975 -4.749 49 HB2 TYR 8 HB2 TYR 8 2.377 23.338 -2.347 50 HB3 TYR 8 HB3 TYR 8 3.925 23.928 -2.941 51 HD1 TYR 8 HD1 TYR 8 0.356 23.844 -3.476 52 HD2 TYR 8 HD2 TYR 8 4.089 24.773 -5.295 53 HE1 TYR 8 HE1 TYR 8 -0.813 25.167 -5.188 54 HE2 TYR 8 HE2 TYR 8 2.929 26.099 -7.012 55 HH TYR 8 HH TYR 8 0.369 27.383 -6.926 56 H ILE 9 H ILE 9 5.428 21.190 -4.933 57 HA ILE 9 HA ILE 9 6.890 20.035 -2.806 58 HB ILE 9 HB ILE 9 7.165 19.486 -5.248 59 HG12 ILE 9 HG12 ILE 9 9.673 20.211 -3.718 60 HG13 ILE 9 HG13 ILE 9 8.756 18.720 -3.535 61 HG21 ILE 9 HG21 ILE 9 7.863 20.994 -6.729 62 HG22 ILE 9 HG22 ILE 9 7.654 22.210 -5.469 63 HG23 ILE 9 HG23 ILE 9 9.229 21.456 -5.713 64 HD11 ILE 9 HD11 ILE 9 9.890 17.786 -5.181 65 HD12 ILE 9 HD12 ILE 9 9.433 19.084 -6.284 66 HD13 ILE 9 HD13 ILE 9 10.879 19.241 -5.287 67 H ALA 10 H ALA 10 8.783 20.745 -1.775 68 HA ALA 10 HA ALA 10 9.572 23.533 -2.105 69 HB1 ALA 10 HB1 ALA 10 9.516 23.608 0.533 70 HB2 ALA 10 HB2 ALA 10 8.099 24.029 -0.430 71 HB3 ALA 10 HB3 ALA 10 8.223 22.430 0.305 72 H GLN 11 H GLN 11 11.700 23.872 -1.734 73 HA GLN 11 HA GLN 11 13.518 21.803 -1.721 74 HB2 GLN 11 HB2 GLN 11 15.152 23.577 -0.842 75 HB3 GLN 11 HB3 GLN 11 14.346 23.895 -2.371 76 HG2 GLN 11 HG2 GLN 11 12.810 25.400 -1.324 77 HG3 GLN 11 HG3 GLN 11 13.413 24.973 0.276 78 HE21 GLN 11 HE21 GLN 11 14.227 26.543 -2.754 79 HE22 GLN 11 HE22 GLN 11 15.469 27.558 -2.112 80 HA PRO 12 HA PRO 12 13.875 20.266 2.371 81 HB2 PRO 12 HB2 PRO 12 16.541 19.782 2.559 82 HB3 PRO 12 HB3 PRO 12 15.454 18.800 1.570 83 HG2 PRO 12 HG2 PRO 12 17.283 21.019 0.740 84 HG3 PRO 12 HG3 PRO 12 16.990 19.457 -0.047 85 HD2 PRO 12 HD2 PRO 12 15.843 21.756 -0.901 86 HD3 PRO 12 HD3 PRO 12 15.038 20.180 -1.037 87 H HIS 13 H HIS 13 15.343 23.194 1.475 88 HA HIS 13 HA HIS 13 16.334 23.758 4.165 89 HB2 HIS 13 HB2 HIS 13 16.624 25.107 1.499 90 HB3 HIS 13 HB3 HIS 13 16.958 25.997 2.983 91 HD1 HIS 13 HD1 HIS 13 19.145 25.517 4.167 92 HD2 HIS 13 HD2 HIS 13 18.414 22.942 0.990 93 HE1 HIS 13 HE1 HIS 13 21.290 24.251 3.820 94 H ASN 14 H ASN 14 13.500 23.438 3.739 95 HA ASN 14 HA ASN 14 11.499 24.446 4.159 96 HB2 ASN 14 HB2 ASN 14 13.124 24.937 6.241 97 HB3 ASN 14 HB3 ASN 14 12.798 26.595 5.746 98 HD21 ASN 14 HD21 ASN 14 10.201 26.376 4.870 99 HD22 ASN 14 HD22 ASN 14 9.177 25.996 6.209 100 H CYS 15 H CYS 15 11.504 25.132 1.865 101 HA CYS 15 HA CYS 15 10.706 27.824 1.619 102 HB2 CYS 15 HB2 CYS 15 13.516 27.363 1.298 103 HB3 CYS 15 HB3 CYS 15 12.832 27.828 -0.256 104 H VAL 16 H VAL 16 10.258 28.405 -0.706 105 HA VAL 16 HA VAL 16 9.152 26.066 -2.031 106 HB VAL 16 HB VAL 16 7.998 27.657 -3.487 107 HG11 VAL 16 HG11 VAL 16 6.462 27.625 -1.882 108 HG12 VAL 16 HG12 VAL 16 7.706 27.472 -0.642 109 HG13 VAL 16 HG13 VAL 16 7.202 29.069 -1.192 110 HG21 VAL 16 HG21 VAL 16 9.629 29.391 -3.707 111 HG22 VAL 16 HG22 VAL 16 8.188 30.099 -2.978 112 HG23 VAL 16 HG23 VAL 16 9.589 29.723 -1.975 113 H TYR 17 H TYR 17 9.875 25.198 -3.884 114 HA TYR 17 HA TYR 17 12.463 25.731 -4.818 115 HB2 TYR 17 HB2 TYR 17 10.211 24.009 -5.636 116 HB3 TYR 17 HB3 TYR 17 11.334 24.431 -6.924 117 HD1 TYR 17 HD1 TYR 17 13.852 24.037 -6.432 118 HD2 TYR 17 HD2 TYR 17 10.699 22.239 -4.210 119 HE1 TYR 17 HE1 TYR 17 15.401 22.290 -5.658 120 HE2 TYR 17 HE2 TYR 17 12.240 20.488 -3.429 121 HH TYR 17 HH TYR 17 14.442 19.920 -3.249 122 H HIS 18 H HIS 18 12.959 27.694 -5.600 123 HA HIS 18 HA HIS 18 11.194 29.302 -7.133 124 HB2 HIS 18 HB2 HIS 18 12.917 30.387 -5.869 125 HB3 HIS 18 HB3 HIS 18 14.175 29.446 -6.665 126 HD1 HIS 18 HD1 HIS 18 11.500 31.958 -7.688 127 HD2 HIS 18 HD2 HIS 18 15.367 30.803 -8.672 128 HE1 HIS 18 HE1 HIS 18 12.248 33.565 -9.472 129 H CYS 19 H CYS 19 10.519 28.709 -9.089 130 HA CYS 19 HA CYS 19 12.439 27.458 -10.930 131 HB2 CYS 19 HB2 CYS 19 10.451 26.693 -12.188 132 HB3 CYS 19 HB3 CYS 19 10.453 26.112 -10.526 133 H PHE 20 H PHE 20 12.939 28.379 -12.850 134 HA PHE 20 HA PHE 20 12.220 31.147 -13.220 135 HB2 PHE 20 HB2 PHE 20 14.085 29.248 -14.616 136 HB3 PHE 20 HB3 PHE 20 13.702 30.814 -15.324 137 HD1 PHE 20 HD1 PHE 20 13.778 32.752 -13.359 138 HD2 PHE 20 HD2 PHE 20 16.099 29.189 -13.542 139 HE1 PHE 20 HE1 PHE 20 15.502 33.807 -11.957 140 HE2 PHE 20 HE2 PHE 20 17.826 30.238 -12.140 141 HZ PHE 20 HZ PHE 20 17.529 32.550 -11.345 142 H ARG 21 H ARG 21 11.527 28.065 -14.762 143 HA ARG 21 HA ARG 21 9.243 29.245 -16.098 144 HB2 ARG 21 HB2 ARG 21 9.839 28.580 -18.318 145 HB3 ARG 21 HB3 ARG 21 11.169 29.535 -17.676 146 HG2 ARG 21 HG2 ARG 21 12.304 27.367 -17.096 147 HG3 ARG 21 HG3 ARG 21 11.041 26.553 -18.021 148 HD2 ARG 21 HD2 ARG 21 13.088 26.947 -19.339 149 HD3 ARG 21 HD3 ARG 21 11.673 27.751 -20.018 150 HE ARG 21 HE ARG 21 13.240 29.416 -18.269 151 HH11 ARG 21 HH11 ARG 21 12.813 28.274 -21.530 152 HH12 ARG 21 HH12 ARG 21 13.611 29.633 -22.249 153 HH21 ARG 21 HH21 ARG 21 14.294 31.210 -19.204 154 HH22 ARG 21 HH22 ARG 21 14.454 31.301 -20.926 155 H ASP 22 H ASP 22 7.898 27.561 -17.178 156 HA ASP 22 HA ASP 22 7.313 25.462 -15.459 157 HB2 ASP 22 HB2 ASP 22 5.871 26.489 -17.324 158 HB3 ASP 22 HB3 ASP 22 6.689 25.365 -18.404 159 H SER 23 H SER 23 9.203 25.436 -18.459 160 HA SER 23 HA SER 23 9.659 22.729 -18.723 161 HB2 SER 23 HB2 SER 23 11.557 25.015 -19.303 162 HB3 SER 23 HB3 SER 23 11.774 23.363 -19.881 163 HG SER 23 HG SER 23 9.774 23.580 -20.984 164 H TYR 24 H TYR 24 11.143 25.012 -16.522 165 HA TYR 24 HA TYR 24 13.267 23.332 -15.670 166 HB2 TYR 24 HB2 TYR 24 13.122 25.844 -15.381 167 HB3 TYR 24 HB3 TYR 24 11.990 25.548 -14.066 168 HD1 TYR 24 HD1 TYR 24 12.847 25.496 -11.927 169 HD2 TYR 24 HD2 TYR 24 15.382 24.422 -15.172 170 HE1 TYR 24 HE1 TYR 24 14.728 25.234 -10.364 171 HE2 TYR 24 HE2 TYR 24 17.269 24.156 -13.616 172 HH TYR 24 HH TYR 24 17.984 24.764 -11.467 173 H CYS 25 H CYS 25 10.241 24.259 -14.019 174 HA CYS 25 HA CYS 25 10.476 22.465 -11.890 175 HB2 CYS 25 HB2 CYS 25 8.898 24.277 -11.770 176 HB3 CYS 25 HB3 CYS 25 8.027 23.679 -13.179 177 H ASN 26 H ASN 26 9.173 22.046 -15.123 178 HA ASN 26 HA ASN 26 7.798 19.655 -14.806 179 HB2 ASN 26 HB2 ASN 26 7.690 20.929 -16.873 180 HB3 ASN 26 HB3 ASN 26 9.398 20.629 -17.182 181 HD21 ASN 26 HD21 ASN 26 10.058 18.442 -17.601 182 HD22 ASN 26 HD22 ASN 26 8.945 17.334 -18.320 183 H ASP 27 H ASP 27 11.170 20.050 -15.906 184 HA ASP 27 HA ASP 27 11.743 17.264 -15.694 185 HB2 ASP 27 HB2 ASP 27 12.919 19.305 -17.019 186 HB3 ASP 27 HB3 ASP 27 13.994 19.187 -15.629 187 H LEU 28 H LEU 28 12.200 20.054 -13.608 188 HA LEU 28 HA LEU 28 13.947 18.961 -11.734 189 HB2 LEU 28 HB2 LEU 28 13.606 21.235 -11.515 190 HB3 LEU 28 HB3 LEU 28 11.854 21.086 -11.637 191 HG LEU 28 HG LEU 28 11.746 20.227 -9.366 192 HD11 LEU 28 HD11 LEU 28 14.340 20.813 -8.397 193 HD12 LEU 28 HD12 LEU 28 13.499 19.263 -8.417 194 HD13 LEU 28 HD13 LEU 28 14.514 19.732 -9.779 195 HD21 LEU 28 HD21 LEU 28 13.488 22.584 -8.989 196 HD22 LEU 28 HD22 LEU 28 12.104 22.788 -10.063 197 HD23 LEU 28 HD23 LEU 28 11.857 22.267 -8.396 198 H CYS 29 H CYS 29 10.483 18.593 -12.116 199 HA CYS 29 HA CYS 29 10.046 17.331 -9.592 200 HB2 CYS 29 HB2 CYS 29 8.444 17.760 -12.075 201 HB3 CYS 29 HB3 CYS 29 7.907 16.528 -10.936 202 H ILE 30 H ILE 30 10.725 16.204 -12.856 203 HA ILE 30 HA ILE 30 10.192 13.487 -12.523 204 HB ILE 30 HB ILE 30 12.365 14.714 -14.225 205 HG12 ILE 30 HG12 ILE 30 9.548 13.978 -15.031 206 HG13 ILE 30 HG13 ILE 30 10.027 15.609 -14.574 207 HG21 ILE 30 HG21 ILE 30 11.471 11.987 -13.809 208 HG22 ILE 30 HG22 ILE 30 11.363 12.475 -15.500 209 HG23 ILE 30 HG23 ILE 30 12.901 12.593 -14.645 210 HD11 ILE 30 HD11 ILE 30 11.806 15.348 -16.424 211 HD12 ILE 30 HD12 ILE 30 10.785 14.023 -16.986 212 HD13 ILE 30 HD13 ILE 30 10.129 15.656 -16.877 213 H LYS 31 H LYS 31 13.190 15.299 -11.947 214 HA LYS 31 HA LYS 31 14.854 13.178 -11.273 215 HB2 LYS 31 HB2 LYS 31 15.687 15.446 -11.605 216 HB3 LYS 31 HB3 LYS 31 14.832 15.993 -10.168 217 HG2 LYS 31 HG2 LYS 31 16.772 13.772 -9.857 218 HG3 LYS 31 HG3 LYS 31 17.407 15.395 -10.135 219 HD2 LYS 31 HD2 LYS 31 15.743 16.073 -8.248 220 HD3 LYS 31 HD3 LYS 31 15.789 14.355 -7.842 221 HE2 LYS 31 HE2 LYS 31 18.245 14.492 -7.676 222 HE3 LYS 31 HE3 LYS 31 18.156 16.219 -8.015 223 HZ1 LYS 31 HZ1 LYS 31 17.756 14.845 -5.555 224 HZ2 LYS 31 HZ2 LYS 31 17.950 16.503 -5.837 225 HZ3 LYS 31 HZ3 LYS 31 16.414 15.803 -5.936 226 H HIS 32 H HIS 32 12.494 14.912 -9.320 227 HA HIS 32 HA HIS 32 13.231 13.658 -6.858 228 HB2 HIS 32 HB2 HIS 32 10.851 15.283 -7.731 229 HB3 HIS 32 HB3 HIS 32 10.942 14.562 -6.127 230 HD1 HIS 32 HD1 HIS 32 11.492 16.381 -4.551 231 HD2 HIS 32 HD2 HIS 32 13.683 16.675 -8.069 232 HE1 HIS 32 HE1 HIS 32 13.048 18.327 -4.213 233 H GLY 33 H GLY 33 11.045 12.915 -9.472 234 HA2 GLY 33 HA2 GLY 33 10.564 10.504 -9.734 235 HA3 GLY 33 HA3 GLY 33 10.229 10.479 -8.008 236 H ALA 34 H ALA 34 9.204 13.067 -10.138 237 HA ALA 34 HA ALA 34 6.414 12.248 -9.666 238 HB1 ALA 34 HB1 ALA 34 6.707 14.978 -10.557 239 HB2 ALA 34 HB2 ALA 34 5.944 14.346 -9.098 240 HB3 ALA 34 HB3 ALA 34 7.678 14.667 -9.118 241 H GLU 35 H GLU 35 4.867 12.665 -11.369 242 HA GLU 35 HA GLU 35 5.695 11.706 -13.870 243 HB2 GLU 35 HB2 GLU 35 3.311 11.892 -12.683 244 HB3 GLU 35 HB3 GLU 35 3.203 13.320 -13.704 245 HG2 GLU 35 HG2 GLU 35 2.211 11.338 -14.747 246 HG3 GLU 35 HG3 GLU 35 3.557 11.990 -15.680 247 H SER 36 H SER 36 4.801 14.990 -12.845 248 HA SER 36 HA SER 36 6.616 16.139 -14.763 249 HB2 SER 36 HB2 SER 36 4.509 15.660 -16.082 250 HB3 SER 36 HB3 SER 36 3.685 16.825 -15.046 251 HG SER 36 HG SER 36 5.521 17.237 -17.075 252 H GLY 37 H GLY 37 5.948 18.713 -14.796 253 HA2 GLY 37 HA2 GLY 37 5.069 19.652 -12.214 254 HA3 GLY 37 HA3 GLY 37 6.802 19.807 -12.466 255 H GLU 38 H GLU 38 4.443 21.748 -12.252 256 HA GLU 38 HA GLU 38 5.252 23.389 -14.550 257 HB2 GLU 38 HB2 GLU 38 3.029 24.067 -15.019 258 HB3 GLU 38 HB3 GLU 38 2.986 22.313 -14.894 259 HG2 GLU 38 HG2 GLU 38 2.121 22.497 -12.616 260 HG3 GLU 38 HG3 GLU 38 2.155 24.254 -12.750 261 H CYS 39 H CYS 39 4.995 25.683 -14.229 262 HA CYS 39 HA CYS 39 5.549 26.441 -11.489 263 HB2 CYS 39 HB2 CYS 39 5.884 27.669 -14.164 264 HB3 CYS 39 HB3 CYS 39 5.608 28.784 -12.830 265 H LYS 40 H LYS 40 4.402 27.987 -10.298 266 HA LYS 40 HA LYS 40 1.876 28.983 -11.316 267 HB2 LYS 40 HB2 LYS 40 2.090 26.810 -9.294 268 HB3 LYS 40 HB3 LYS 40 0.872 28.050 -9.025 269 HG2 LYS 40 HG2 LYS 40 -0.148 27.569 -11.160 270 HG3 LYS 40 HG3 LYS 40 1.123 26.401 -11.533 271 HD2 LYS 40 HD2 LYS 40 0.406 25.160 -9.443 272 HD3 LYS 40 HD3 LYS 40 -1.007 26.218 -9.413 273 HE2 LYS 40 HE2 LYS 40 -1.344 25.456 -11.855 274 HE3 LYS 40 HE3 LYS 40 -0.237 24.148 -11.441 275 HZ1 LYS 40 HZ1 LYS 40 -2.112 23.126 -10.804 276 HZ2 LYS 40 HZ2 LYS 40 -1.958 24.054 -9.398 277 HZ3 LYS 40 HZ3 LYS 40 -2.987 24.565 -10.641 278 H TRP 41 H TRP 41 1.770 31.034 -10.711 279 HA TRP 41 HA TRP 41 3.411 32.025 -8.554 280 HB2 TRP 41 HB2 TRP 41 2.824 33.161 -10.847 281 HB3 TRP 41 HB3 TRP 41 1.390 33.710 -9.984 282 HD1 TRP 41 HD1 TRP 41 5.030 33.537 -8.659 283 HE1 TRP 41 HE1 TRP 41 5.698 35.894 -7.870 284 HE3 TRP 41 HE3 TRP 41 0.813 36.079 -10.037 285 HZ2 TRP 41 HZ2 TRP 41 4.584 38.488 -7.836 286 HZ3 TRP 41 HZ3 TRP 41 0.694 38.495 -9.591 287 HH2 TRP 41 HH2 TRP 41 2.541 39.672 -8.512 288 H PHE 42 H PHE 42 2.648 31.425 -6.590 289 HA PHE 42 HA PHE 42 -0.181 31.668 -5.978 290 HB2 PHE 42 HB2 PHE 42 1.372 29.767 -5.191 291 HB3 PHE 42 HB3 PHE 42 1.978 30.930 -4.014 292 HD1 PHE 42 HD1 PHE 42 -1.403 29.981 -5.288 293 HD2 PHE 42 HD2 PHE 42 1.130 30.579 -1.921 294 HE1 PHE 42 HE1 PHE 42 -3.274 29.430 -3.788 295 HE2 PHE 42 HE2 PHE 42 -0.735 30.027 -0.415 296 HZ PHE 42 HZ PHE 42 -2.941 29.453 -1.347 297 H THR 43 H THR 43 2.892 33.084 -4.920 298 HA THR 43 HA THR 43 1.379 35.383 -3.880 299 HB THR 43 HB THR 43 3.902 34.800 -2.475 300 HG1 THR 43 HG1 THR 43 1.646 33.249 -1.761 301 HG21 THR 43 HG21 THR 43 1.197 35.883 -1.891 302 HG22 THR 43 HG22 THR 43 2.100 35.171 -0.554 303 HG23 THR 43 HG23 THR 43 2.785 36.518 -1.463 304 H SER 44 H SER 44 3.157 37.173 -3.291 305 HA SER 44 HA SER 44 4.490 37.711 -5.816 306 HB2 SER 44 HB2 SER 44 3.075 39.413 -4.545 307 HB3 SER 44 HB3 SER 44 4.412 39.520 -3.400 308 HG SER 44 HG SER 44 4.228 40.963 -5.448 309 H SER 45 H SER 45 5.501 35.680 -3.884 310 HA SER 45 HA SER 45 8.108 36.863 -3.216 311 HB2 SER 45 HB2 SER 45 6.829 35.768 -1.371 312 HB3 SER 45 HB3 SER 45 6.943 34.243 -2.248 313 HG SER 45 HG SER 45 8.593 34.623 -0.603 314 H GLY 46 H GLY 46 6.958 35.657 -5.834 315 HA2 GLY 46 HA2 GLY 46 8.492 34.972 -7.577 316 HA3 GLY 46 HA3 GLY 46 9.338 34.001 -6.380 317 H ASN 47 H ASN 47 8.264 33.184 -8.960 318 HA ASN 47 HA ASN 47 5.867 31.714 -8.602 319 HB2 ASN 47 HB2 ASN 47 6.898 32.431 -10.808 320 HB3 ASN 47 HB3 ASN 47 8.037 31.102 -10.611 321 HD21 ASN 47 HD21 ASN 47 5.302 31.959 -12.111 322 HD22 ASN 47 HD22 ASN 47 4.549 30.414 -12.293 323 H ALA 48 H ALA 48 5.504 29.646 -7.973 324 HA ALA 48 HA ALA 48 7.791 28.207 -6.824 325 HB1 ALA 48 HB1 ALA 48 5.197 27.093 -6.185 326 HB2 ALA 48 HB2 ALA 48 6.471 27.676 -5.113 327 HB3 ALA 48 HB3 ALA 48 5.292 28.807 -5.778 328 H CYS 49 H CYS 49 7.728 25.815 -6.956 329 HA CYS 49 HA CYS 49 6.929 24.994 -9.658 330 HB2 CYS 49 HB2 CYS 49 9.273 24.687 -9.265 331 HB3 CYS 49 HB3 CYS 49 8.970 23.882 -7.729 332 H TRP 50 H TRP 50 5.202 23.754 -9.891 333 HA TRP 50 HA TRP 50 4.104 22.378 -7.559 334 HB2 TRP 50 HB2 TRP 50 2.455 23.659 -8.661 335 HB3 TRP 50 HB3 TRP 50 2.979 23.118 -10.253 336 HD1 TRP 50 HD1 TRP 50 2.199 20.655 -11.029 337 HE1 TRP 50 HE1 TRP 50 0.231 19.181 -10.268 338 HE3 TRP 50 HE3 TRP 50 1.048 23.033 -6.652 339 HZ2 TRP 50 HZ2 TRP 50 -1.571 19.045 -8.099 340 HZ3 TRP 50 HZ3 TRP 50 -0.811 22.168 -5.293 341 HH2 TRP 50 HH2 TRP 50 -2.094 20.216 -6.004 342 H CYS 51 H CYS 51 3.846 20.193 -7.417 343 HA CYS 51 HA CYS 51 4.904 18.580 -9.645 344 HB2 CYS 51 HB2 CYS 51 5.410 18.335 -6.686 345 HB3 CYS 51 HB3 CYS 51 5.626 16.965 -7.770 346 H VAL 52 H VAL 52 3.776 16.785 -10.214 347 HA VAL 52 HA VAL 52 1.176 16.419 -8.916 348 HB VAL 52 HB VAL 52 1.078 16.768 -11.309 349 HG11 VAL 52 HG11 VAL 52 2.040 14.761 -12.709 350 HG12 VAL 52 HG12 VAL 52 3.060 16.129 -12.264 351 HG13 VAL 52 HG13 VAL 52 3.147 14.628 -11.343 352 HG21 VAL 52 HG21 VAL 52 -0.507 15.192 -11.703 353 HG22 VAL 52 HG22 VAL 52 0.532 13.862 -11.190 354 HG23 VAL 52 HG23 VAL 52 -0.265 14.874 -9.985 355 H LYS 53 H LYS 53 0.437 14.405 -8.230 356 HA LYS 53 HA LYS 53 0.755 12.513 -6.960 357 HB2 LYS 53 HB2 LYS 53 1.394 10.597 -8.311 358 HB3 LYS 53 HB3 LYS 53 0.365 11.674 -9.246 359 HG2 LYS 53 HG2 LYS 53 2.101 12.363 -10.610 360 HG3 LYS 53 HG3 LYS 53 3.339 11.889 -9.445 361 HD2 LYS 53 HD2 LYS 53 1.746 9.619 -10.249 362 HD3 LYS 53 HD3 LYS 53 2.448 10.429 -11.652 363 HE2 LYS 53 HE2 LYS 53 4.651 10.376 -10.391 364 HE3 LYS 53 HE3 LYS 53 3.866 9.270 -9.265 365 HZ1 LYS 53 HZ1 LYS 53 5.168 8.502 -11.474 366 HZ2 LYS 53 HZ2 LYS 53 3.952 7.593 -10.729 367 HZ3 LYS 53 HZ3 LYS 53 3.581 8.572 -12.058 368 H LEU 54 H LEU 54 2.705 14.369 -6.300 369 HA LEU 54 HA LEU 54 5.333 13.296 -6.428 370 HB2 LEU 54 HB2 LEU 54 4.460 15.718 -5.916 371 HB3 LEU 54 HB3 LEU 54 4.485 15.147 -4.249 372 HG LEU 54 HG LEU 54 6.886 14.685 -4.452 373 HD11 LEU 54 HD11 LEU 54 7.850 14.472 -6.434 374 HD12 LEU 54 HD12 LEU 54 6.340 14.921 -7.228 375 HD13 LEU 54 HD13 LEU 54 7.509 16.166 -6.787 376 HD21 LEU 54 HD21 LEU 54 5.687 17.095 -4.096 377 HD22 LEU 54 HD22 LEU 54 7.415 16.798 -3.906 378 HD23 LEU 54 HD23 LEU 54 6.795 17.454 -5.421 379 HA PRO 55 HA PRO 55 4.988 10.205 -3.284 380 HB2 PRO 55 HB2 PRO 55 7.644 9.751 -2.947 381 HB3 PRO 55 HB3 PRO 55 6.738 9.162 -4.346 382 HG2 PRO 55 HG2 PRO 55 8.494 11.575 -4.106 383 HG3 PRO 55 HG3 PRO 55 8.392 10.391 -5.423 384 HD2 PRO 55 HD2 PRO 55 7.193 12.815 -5.547 385 HD3 PRO 55 HD3 PRO 55 6.514 11.373 -6.330 386 H LYS 56 H LYS 56 5.031 10.116 -1.085 387 HA LYS 56 HA LYS 56 5.306 12.442 0.419 388 HB2 LYS 56 HB2 LYS 56 4.951 9.568 0.997 389 HB3 LYS 56 HB3 LYS 56 5.641 10.518 2.306 390 HG2 LYS 56 HG2 LYS 56 3.709 12.093 2.058 391 HG3 LYS 56 HG3 LYS 56 2.996 10.930 0.938 392 HD2 LYS 56 HD2 LYS 56 3.124 9.212 2.730 393 HD3 LYS 56 HD3 LYS 56 3.689 10.466 3.838 394 HE2 LYS 56 HE2 LYS 56 1.635 11.655 3.662 395 HE3 LYS 56 HE3 LYS 56 1.092 10.642 2.325 396 HZ1 LYS 56 HZ1 LYS 56 1.499 8.810 4.217 397 HZ2 LYS 56 HZ2 LYS 56 1.040 10.125 5.177 398 HZ3 LYS 56 HZ3 LYS 56 0.009 9.569 3.956 399 H SER 57 H SER 57 7.652 9.994 -0.418 400 HA SER 57 HA SER 57 9.624 10.416 1.466 401 HB2 SER 57 HB2 SER 57 9.634 8.694 -0.381 402 HB3 SER 57 HB3 SER 57 10.158 9.971 -1.478 403 HG SER 57 HG SER 57 11.525 8.828 0.703 404 H GLU 58 H GLU 58 8.806 12.345 -1.356 405 HA GLU 58 HA GLU 58 11.096 14.068 -1.108 406 HB2 GLU 58 HB2 GLU 58 8.560 14.316 -2.733 407 HB3 GLU 58 HB3 GLU 58 9.907 15.441 -2.828 408 HG2 GLU 58 HG2 GLU 58 10.123 12.497 -3.406 409 HG3 GLU 58 HG3 GLU 58 9.858 13.735 -4.632 410 HA PRO 59 HA PRO 59 9.587 16.996 1.792 411 HB2 PRO 59 HB2 PRO 59 10.690 19.290 0.848 412 HB3 PRO 59 HB3 PRO 59 11.637 18.023 1.639 413 HG2 PRO 59 HG2 PRO 59 11.286 18.582 -1.281 414 HG3 PRO 59 HG3 PRO 59 12.761 18.162 -0.392 415 HD2 PRO 59 HD2 PRO 59 11.368 16.349 -1.843 416 HD3 PRO 59 HD3 PRO 59 12.258 15.912 -0.370 417 H ILE 60 H ILE 60 8.230 18.882 2.063 418 HA ILE 60 HA ILE 60 6.825 19.873 -0.282 419 HB ILE 60 HB ILE 60 4.595 19.429 0.798 420 HG12 ILE 60 HG12 ILE 60 6.218 17.476 2.445 421 HG13 ILE 60 HG13 ILE 60 5.460 18.939 3.062 422 HG21 ILE 60 HG21 ILE 60 4.373 17.273 -0.163 423 HG22 ILE 60 HG22 ILE 60 5.601 18.119 -1.104 424 HG23 ILE 60 HG23 ILE 60 6.081 16.910 0.088 425 HD11 ILE 60 HD11 ILE 60 4.363 16.375 2.904 426 HD12 ILE 60 HD12 ILE 60 3.554 17.870 3.376 427 HD13 ILE 60 HD13 ILE 60 3.519 17.342 1.694 428 H LYS 61 H LYS 61 5.575 21.767 0.126 429 HA LYS 61 HA LYS 61 6.731 23.580 1.901 430 HB2 LYS 61 HB2 LYS 61 5.509 24.315 -0.064 431 HB3 LYS 61 HB3 LYS 61 4.013 23.647 0.578 432 HG2 LYS 61 HG2 LYS 61 4.079 26.061 0.834 433 HG3 LYS 61 HG3 LYS 61 4.067 25.259 2.406 434 HD2 LYS 61 HD2 LYS 61 6.467 25.587 2.615 435 HD3 LYS 61 HD3 LYS 61 6.525 26.319 1.010 436 HE2 LYS 61 HE2 LYS 61 4.864 27.416 3.269 437 HE3 LYS 61 HE3 LYS 61 6.521 27.927 2.953 438 HZ1 LYS 61 HZ1 LYS 61 4.882 28.008 0.608 439 HZ2 LYS 61 HZ2 LYS 61 4.276 28.996 1.842 440 HZ3 LYS 61 HZ3 LYS 61 5.858 29.215 1.282 441 H VAL 62 H VAL 62 6.472 23.981 4.001 442 HA VAL 62 HA VAL 62 4.139 22.800 5.365 443 HB VAL 62 HB VAL 62 5.675 22.804 7.418 444 HG11 VAL 62 HG11 VAL 62 6.785 20.645 6.638 445 HG12 VAL 62 HG12 VAL 62 5.026 20.724 6.541 446 HG13 VAL 62 HG13 VAL 62 5.999 20.938 5.086 447 HG21 VAL 62 HG21 VAL 62 7.900 22.668 5.419 448 HG22 VAL 62 HG22 VAL 62 7.399 24.214 6.105 449 HG23 VAL 62 HG23 VAL 62 7.981 22.927 7.161 450 HA PRO 63 HA PRO 63 3.080 26.764 6.925 451 HB2 PRO 63 HB2 PRO 63 2.107 26.137 9.380 452 HB3 PRO 63 HB3 PRO 63 1.243 25.771 7.883 453 HG2 PRO 63 HG2 PRO 63 2.935 23.978 9.581 454 HG3 PRO 63 HG3 PRO 63 1.376 23.640 8.805 455 HD2 PRO 63 HD2 PRO 63 3.732 22.806 7.764 456 HD3 PRO 63 HD3 PRO 63 2.341 23.243 6.750 457 H GLY 64 H GLY 64 4.497 28.277 7.521 458 HA2 GLY 64 HA2 GLY 64 5.497 28.618 10.081 459 HA3 GLY 64 HA3 GLY 64 6.737 27.745 9.192 460 H LYS 65 H LYS 65 8.034 28.826 7.798 461 HA LYS 65 HA LYS 65 7.375 31.339 6.646 462 HB2 LYS 65 HB2 LYS 65 8.069 31.643 9.237 463 HB3 LYS 65 HB3 LYS 65 9.662 31.702 8.494 464 HG2 LYS 65 HG2 LYS 65 7.816 33.353 7.035 465 HG3 LYS 65 HG3 LYS 65 7.821 33.785 8.747 466 HD2 LYS 65 HD2 LYS 65 10.400 33.383 7.280 467 HD3 LYS 65 HD3 LYS 65 9.526 34.910 7.142 468 HE2 LYS 65 HE2 LYS 65 9.482 34.880 9.710 469 HE3 LYS 65 HE3 LYS 65 10.731 33.643 9.582 470 HZ1 LYS 65 HZ1 LYS 65 11.939 35.310 8.123 471 HZ2 LYS 65 HZ2 LYS 65 10.854 36.466 8.715 472 HZ3 LYS 65 HZ3 LYS 65 11.881 35.646 9.781 473 H CYS 66 H CYS 66 8.667 31.752 4.931 474 HA CYS 66 HA CYS 66 10.741 29.808 4.337 475 HB2 CYS 66 HB2 CYS 66 9.186 30.282 2.562 476 HB3 CYS 66 HB3 CYS 66 9.482 32.013 2.697 477 H HIS 67 H HIS 67 12.770 30.159 4.919 478 HA HIS 67 HA HIS 67 13.707 32.756 5.688 479 HB2 HIS 67 HB2 HIS 67 15.099 30.088 5.421 480 HB3 HIS 67 HB3 HIS 67 15.904 31.548 5.987 481 HD1 HIS 67 HD1 HIS 67 16.277 31.006 8.397 482 HD2 HIS 67 HD2 HIS 67 12.361 30.296 7.205 483 HE1 HIS 67 HE1 HIS 67 15.021 30.456 10.506 Start of MODEL 20 1 H1 GLY 1 H GLY 1 3.858 -0.581 -1.206 2 HA2 GLY 1 HA2 GLY 1 0.997 -0.267 -1.110 3 HA3 GLY 1 HA3 GLY 1 1.777 0.056 0.431 4 H GLU 2 H GLU 2 2.508 0.821 -2.977 5 HA GLU 2 HA GLU 2 3.781 3.239 -2.494 6 HB2 GLU 2 HB2 GLU 2 3.437 1.806 -4.693 7 HB3 GLU 2 HB3 GLU 2 2.121 2.943 -4.957 8 HG2 GLU 2 HG2 GLU 2 3.803 4.017 -6.047 9 HG3 GLU 2 HG3 GLU 2 3.980 4.721 -4.441 10 H GLU 3 H GLU 3 3.093 5.422 -2.749 11 HA GLU 3 HA GLU 3 0.311 6.086 -2.899 12 HB2 GLU 3 HB2 GLU 3 0.200 7.134 -0.637 13 HB3 GLU 3 HB3 GLU 3 0.286 5.378 -0.606 14 HG2 GLU 3 HG2 GLU 3 2.794 5.677 -0.269 15 HG3 GLU 3 HG3 GLU 3 2.421 7.364 0.080 16 H VAL 4 H VAL 4 0.143 8.035 -3.795 17 HA VAL 4 HA VAL 4 2.238 10.029 -3.309 18 HB VAL 4 HB VAL 4 2.109 10.643 -5.768 19 HG11 VAL 4 HG11 VAL 4 3.465 8.316 -6.253 20 HG12 VAL 4 HG12 VAL 4 4.144 9.753 -5.488 21 HG13 VAL 4 HG13 VAL 4 3.531 8.430 -4.494 22 HG21 VAL 4 HG21 VAL 4 1.415 8.931 -7.332 23 HG22 VAL 4 HG22 VAL 4 0.994 7.849 -6.005 24 HG23 VAL 4 HG23 VAL 4 0.074 9.332 -6.258 25 H ARG 5 H ARG 5 1.595 12.219 -3.968 26 HA ARG 5 HA ARG 5 -1.193 12.724 -4.499 27 HB2 ARG 5 HB2 ARG 5 -1.800 13.748 -2.485 28 HB3 ARG 5 HB3 ARG 5 -0.946 12.298 -1.975 29 HG2 ARG 5 HG2 ARG 5 0.264 15.051 -2.124 30 HG3 ARG 5 HG3 ARG 5 -0.341 14.281 -0.656 31 HD2 ARG 5 HD2 ARG 5 1.294 12.353 -1.405 32 HD3 ARG 5 HD3 ARG 5 2.089 13.671 -2.265 33 HE ARG 5 HE ARG 5 2.878 14.432 -0.266 34 HH11 ARG 5 HH11 ARG 5 0.173 12.325 0.331 35 HH12 ARG 5 HH12 ARG 5 0.363 12.352 2.053 36 HH21 ARG 5 HH21 ARG 5 3.140 14.477 2.000 37 HH22 ARG 5 HH22 ARG 5 2.051 13.578 3.002 38 H ASP 6 H ASP 6 -1.503 14.679 -5.442 39 HA ASP 6 HA ASP 6 0.784 16.138 -6.302 40 HB2 ASP 6 HB2 ASP 6 -0.866 17.646 -7.372 41 HB3 ASP 6 HB3 ASP 6 -1.163 15.949 -7.741 42 H ALA 7 H ALA 7 1.900 17.404 -4.970 43 HA ALA 7 HA ALA 7 0.449 19.425 -3.427 44 HB1 ALA 7 HB1 ALA 7 0.805 18.247 -1.554 45 HB2 ALA 7 HB2 ALA 7 2.029 17.228 -2.311 46 HB3 ALA 7 HB3 ALA 7 2.467 18.822 -1.696 47 H TYR 8 H TYR 8 1.754 21.256 -2.822 48 HA TYR 8 HA TYR 8 3.572 22.021 -4.874 49 HB2 TYR 8 HB2 TYR 8 2.374 23.284 -2.480 50 HB3 TYR 8 HB3 TYR 8 3.921 23.942 -3.000 51 HD1 TYR 8 HD1 TYR 8 0.460 24.212 -3.370 52 HD2 TYR 8 HD2 TYR 8 4.063 24.395 -5.625 53 HE1 TYR 8 HE1 TYR 8 -0.691 25.539 -5.090 54 HE2 TYR 8 HE2 TYR 8 2.922 25.725 -7.351 55 HH TYR 8 HH TYR 8 0.210 27.329 -6.941 56 H ILE 9 H ILE 9 5.517 21.086 -4.983 57 HA ILE 9 HA ILE 9 6.960 20.055 -2.797 58 HB ILE 9 HB ILE 9 7.275 19.428 -5.220 59 HG12 ILE 9 HG12 ILE 9 9.742 20.183 -3.638 60 HG13 ILE 9 HG13 ILE 9 8.823 18.692 -3.465 61 HG21 ILE 9 HG21 ILE 9 7.618 22.058 -5.663 62 HG22 ILE 9 HG22 ILE 9 9.301 21.546 -5.540 63 HG23 ILE 9 HG23 ILE 9 8.237 20.799 -6.732 64 HD11 ILE 9 HD11 ILE 9 10.996 19.207 -5.165 65 HD12 ILE 9 HD12 ILE 9 10.023 17.741 -5.054 66 HD13 ILE 9 HD13 ILE 9 9.579 19.011 -6.195 67 H ALA 10 H ALA 10 8.629 20.856 -1.584 68 HA ALA 10 HA ALA 10 9.520 23.602 -2.069 69 HB1 ALA 10 HB1 ALA 10 8.506 24.484 -0.301 70 HB2 ALA 10 HB2 ALA 10 7.629 22.966 -0.103 71 HB3 ALA 10 HB3 ALA 10 9.149 23.224 0.754 72 H GLN 11 H GLN 11 11.624 23.956 -1.574 73 HA GLN 11 HA GLN 11 13.427 21.888 -1.356 74 HB2 GLN 11 HB2 GLN 11 15.004 23.698 -0.433 75 HB3 GLN 11 HB3 GLN 11 14.311 23.946 -2.030 76 HG2 GLN 11 HG2 GLN 11 12.704 25.493 -1.159 77 HG3 GLN 11 HG3 GLN 11 13.202 25.145 0.496 78 HE21 GLN 11 HE21 GLN 11 14.190 26.589 -2.540 79 HE22 GLN 11 HE22 GLN 11 15.397 27.630 -1.871 80 HA PRO 12 HA PRO 12 13.514 20.512 2.807 81 HB2 PRO 12 HB2 PRO 12 16.161 20.044 3.191 82 HB3 PRO 12 HB3 PRO 12 15.142 19.021 2.171 83 HG2 PRO 12 HG2 PRO 12 17.024 21.212 1.380 84 HG3 PRO 12 HG3 PRO 12 16.783 19.620 0.636 85 HD2 PRO 12 HD2 PRO 12 15.696 21.882 -0.380 86 HD3 PRO 12 HD3 PRO 12 14.901 20.299 -0.509 87 H HIS 13 H HIS 13 15.008 23.416 1.902 88 HA HIS 13 HA HIS 13 15.837 24.084 4.623 89 HB2 HIS 13 HB2 HIS 13 16.289 25.320 1.930 90 HB3 HIS 13 HB3 HIS 13 16.496 26.293 3.383 91 HD1 HIS 13 HD1 HIS 13 17.505 22.671 3.176 92 HD2 HIS 13 HD2 HIS 13 19.250 26.441 3.242 93 HE1 HIS 13 HE1 HIS 13 19.971 22.265 3.453 94 H ASN 14 H ASN 14 13.032 23.722 4.021 95 HA ASN 14 HA ASN 14 11.002 24.728 4.283 96 HB2 ASN 14 HB2 ASN 14 12.489 25.290 6.450 97 HB3 ASN 14 HB3 ASN 14 12.179 26.929 5.890 98 HD21 ASN 14 HD21 ASN 14 9.646 26.654 4.857 99 HD22 ASN 14 HD22 ASN 14 8.542 26.300 6.138 100 H CYS 15 H CYS 15 11.167 25.350 1.972 101 HA CYS 15 HA CYS 15 10.385 28.042 1.609 102 HB2 CYS 15 HB2 CYS 15 13.185 27.617 1.523 103 HB3 CYS 15 HB3 CYS 15 12.656 27.876 -0.136 104 H VAL 16 H VAL 16 9.883 28.533 -0.662 105 HA VAL 16 HA VAL 16 8.886 26.167 -1.994 106 HB VAL 16 HB VAL 16 7.883 27.791 -3.599 107 HG11 VAL 16 HG11 VAL 16 6.606 29.022 -1.546 108 HG12 VAL 16 HG12 VAL 16 6.269 27.377 -2.090 109 HG13 VAL 16 HG13 VAL 16 7.342 27.649 -0.716 110 HG21 VAL 16 HG21 VAL 16 8.662 29.866 -3.738 111 HG22 VAL 16 HG22 VAL 16 8.165 30.169 -2.074 112 HG23 VAL 16 HG23 VAL 16 9.779 29.542 -2.413 113 H TYR 17 H TYR 17 9.839 25.146 -3.626 114 HA TYR 17 HA TYR 17 12.402 25.674 -4.520 115 HB2 TYR 17 HB2 TYR 17 10.165 23.966 -5.441 116 HB3 TYR 17 HB3 TYR 17 11.418 24.303 -6.630 117 HD1 TYR 17 HD1 TYR 17 13.873 23.890 -5.839 118 HD2 TYR 17 HD2 TYR 17 10.451 22.211 -3.949 119 HE1 TYR 17 HE1 TYR 17 15.286 22.135 -4.853 120 HE2 TYR 17 HE2 TYR 17 11.854 20.452 -2.957 121 HH TYR 17 HH TYR 17 14.893 20.554 -2.518 122 H HIS 18 H HIS 18 12.932 27.629 -5.315 123 HA HIS 18 HA HIS 18 11.247 29.148 -7.038 124 HB2 HIS 18 HB2 HIS 18 13.194 29.909 -5.450 125 HB3 HIS 18 HB3 HIS 18 14.201 29.617 -6.865 126 HD1 HIS 18 HD1 HIS 18 14.700 31.834 -7.834 127 HD2 HIS 18 HD2 HIS 18 10.728 31.520 -6.659 128 HE1 HIS 18 HE1 HIS 18 13.615 33.987 -8.550 129 H CYS 19 H CYS 19 10.789 28.481 -9.033 130 HA CYS 19 HA CYS 19 12.922 27.248 -10.638 131 HB2 CYS 19 HB2 CYS 19 11.144 26.312 -12.025 132 HB3 CYS 19 HB3 CYS 19 10.889 25.886 -10.336 133 H PHE 20 H PHE 20 13.563 28.121 -12.543 134 HA PHE 20 HA PHE 20 13.091 30.863 -13.017 135 HB2 PHE 20 HB2 PHE 20 14.542 28.680 -14.443 136 HB3 PHE 20 HB3 PHE 20 14.198 30.163 -15.327 137 HD1 PHE 20 HD1 PHE 20 16.191 31.303 -15.528 138 HD2 PHE 20 HD2 PHE 20 15.141 29.608 -11.768 139 HE1 PHE 20 HE1 PHE 20 18.158 32.368 -14.503 140 HE2 PHE 20 HE2 PHE 20 17.106 30.671 -10.737 141 HZ PHE 20 HZ PHE 20 18.618 32.051 -12.104 142 H ARG 21 H ARG 21 11.921 27.934 -14.635 143 HA ARG 21 HA ARG 21 9.584 29.371 -15.560 144 HB2 ARG 21 HB2 ARG 21 9.939 28.523 -17.926 145 HB3 ARG 21 HB3 ARG 21 10.961 29.863 -17.421 146 HG2 ARG 21 HG2 ARG 21 12.836 28.423 -17.131 147 HG3 ARG 21 HG3 ARG 21 11.836 26.986 -17.354 148 HD2 ARG 21 HD2 ARG 21 11.337 27.792 -19.665 149 HD3 ARG 21 HD3 ARG 21 12.516 29.079 -19.412 150 HE ARG 21 HE ARG 21 13.546 26.434 -18.937 151 HH11 ARG 21 HH11 ARG 21 12.976 28.915 -21.311 152 HH12 ARG 21 HH12 ARG 21 14.210 28.351 -22.388 153 HH21 ARG 21 HH21 ARG 21 15.174 25.681 -20.346 154 HH22 ARG 21 HH22 ARG 21 15.459 26.510 -21.838 155 H ASP 22 H ASP 22 8.111 27.818 -16.814 156 HA ASP 22 HA ASP 22 7.414 25.680 -15.215 157 HB2 ASP 22 HB2 ASP 22 6.029 24.905 -17.119 158 HB3 ASP 22 HB3 ASP 22 5.867 26.635 -16.828 159 H SER 23 H SER 23 9.312 25.627 -18.219 160 HA SER 23 HA SER 23 9.678 22.910 -18.499 161 HB2 SER 23 HB2 SER 23 10.490 24.264 -20.250 162 HB3 SER 23 HB3 SER 23 11.464 25.246 -19.155 163 HG SER 23 HG SER 23 11.979 22.724 -20.235 164 H TYR 24 H TYR 24 11.178 25.104 -16.240 165 HA TYR 24 HA TYR 24 13.306 23.419 -15.432 166 HB2 TYR 24 HB2 TYR 24 13.076 25.920 -15.020 167 HB3 TYR 24 HB3 TYR 24 11.974 25.509 -13.712 168 HD1 TYR 24 HD1 TYR 24 12.786 24.699 -11.623 169 HD2 TYR 24 HD2 TYR 24 15.461 25.231 -14.889 170 HE1 TYR 24 HE1 TYR 24 14.695 24.408 -10.099 171 HE2 TYR 24 HE2 TYR 24 17.378 24.941 -13.375 172 HH TYR 24 HH TYR 24 18.038 24.522 -11.301 173 H CYS 25 H CYS 25 10.241 24.201 -13.779 174 HA CYS 25 HA CYS 25 10.509 22.246 -11.775 175 HB2 CYS 25 HB2 CYS 25 8.987 24.068 -11.436 176 HB3 CYS 25 HB3 CYS 25 8.078 23.652 -12.885 177 H ASN 26 H ASN 26 9.146 22.141 -15.003 178 HA ASN 26 HA ASN 26 7.693 19.778 -14.867 179 HB2 ASN 26 HB2 ASN 26 7.709 21.319 -16.812 180 HB3 ASN 26 HB3 ASN 26 9.331 20.761 -17.214 181 HD21 ASN 26 HD21 ASN 26 9.572 18.448 -17.657 182 HD22 ASN 26 HD22 ASN 26 8.274 17.619 -18.440 183 H ASP 27 H ASP 27 11.071 20.158 -15.954 184 HA ASP 27 HA ASP 27 11.538 17.334 -15.958 185 HB2 ASP 27 HB2 ASP 27 12.737 19.377 -17.226 186 HB3 ASP 27 HB3 ASP 27 13.839 19.208 -15.862 187 H LEU 28 H LEU 28 12.203 19.987 -13.742 188 HA LEU 28 HA LEU 28 13.951 18.713 -11.992 189 HB2 LEU 28 HB2 LEU 28 13.711 20.989 -11.648 190 HB3 LEU 28 HB3 LEU 28 11.951 20.910 -11.691 191 HG LEU 28 HG LEU 28 11.945 19.885 -9.466 192 HD11 LEU 28 HD11 LEU 28 14.411 20.332 -8.390 193 HD12 LEU 28 HD12 LEU 28 13.800 18.764 -8.915 194 HD13 LEU 28 HD13 LEU 28 14.816 19.721 -9.993 195 HD21 LEU 28 HD21 LEU 28 12.314 21.850 -8.275 196 HD22 LEU 28 HD22 LEU 28 13.662 22.336 -9.303 197 HD23 LEU 28 HD23 LEU 28 12.011 22.419 -9.916 198 H CYS 29 H CYS 29 10.465 18.509 -12.275 199 HA CYS 29 HA CYS 29 10.030 17.154 -9.807 200 HB2 CYS 29 HB2 CYS 29 8.397 17.614 -12.282 201 HB3 CYS 29 HB3 CYS 29 7.836 16.480 -11.058 202 H ILE 30 H ILE 30 10.616 16.118 -13.122 203 HA ILE 30 HA ILE 30 10.032 13.401 -12.847 204 HB ILE 30 HB ILE 30 12.175 14.613 -14.594 205 HG12 ILE 30 HG12 ILE 30 9.254 14.099 -15.194 206 HG13 ILE 30 HG13 ILE 30 9.968 15.682 -14.908 207 HG21 ILE 30 HG21 ILE 30 10.648 12.025 -14.839 208 HG22 ILE 30 HG22 ILE 30 11.810 12.650 -16.009 209 HG23 ILE 30 HG23 ILE 30 12.346 12.191 -14.393 210 HD11 ILE 30 HD11 ILE 30 9.851 15.574 -17.206 211 HD12 ILE 30 HD12 ILE 30 11.511 15.074 -16.887 212 HD13 ILE 30 HD13 ILE 30 10.281 13.865 -17.252 213 H LYS 31 H LYS 31 12.964 15.212 -12.111 214 HA LYS 31 HA LYS 31 14.649 13.008 -11.618 215 HB2 LYS 31 HB2 LYS 31 15.226 15.523 -11.886 216 HB3 LYS 31 HB3 LYS 31 14.903 15.624 -10.160 217 HG2 LYS 31 HG2 LYS 31 17.070 15.145 -9.935 218 HG3 LYS 31 HG3 LYS 31 16.581 13.484 -10.277 219 HD2 LYS 31 HD2 LYS 31 16.960 13.980 -12.711 220 HD3 LYS 31 HD3 LYS 31 17.667 15.519 -12.217 221 HE2 LYS 31 HE2 LYS 31 19.450 13.965 -12.545 222 HE3 LYS 31 HE3 LYS 31 19.284 14.238 -10.810 223 HZ1 LYS 31 HZ1 LYS 31 19.547 11.847 -11.670 224 HZ2 LYS 31 HZ2 LYS 31 18.381 12.152 -10.483 225 HZ3 LYS 31 HZ3 LYS 31 17.914 11.967 -12.098 226 H HIS 32 H HIS 32 12.502 14.867 -9.511 227 HA HIS 32 HA HIS 32 13.250 13.554 -7.108 228 HB2 HIS 32 HB2 HIS 32 10.847 15.194 -7.897 229 HB3 HIS 32 HB3 HIS 32 11.011 14.489 -6.291 230 HD1 HIS 32 HD1 HIS 32 11.580 16.374 -4.793 231 HD2 HIS 32 HD2 HIS 32 13.725 16.518 -8.347 232 HE1 HIS 32 HE1 HIS 32 13.171 18.305 -4.540 233 H GLY 33 H GLY 33 10.972 12.838 -9.651 234 HA2 GLY 33 HA2 GLY 33 10.464 10.429 -9.893 235 HA3 GLY 33 HA3 GLY 33 10.169 10.415 -8.161 236 H ALA 34 H ALA 34 9.126 13.006 -10.277 237 HA ALA 34 HA ALA 34 6.338 12.222 -9.735 238 HB1 ALA 34 HB1 ALA 34 6.625 14.942 -10.643 239 HB2 ALA 34 HB2 ALA 34 5.914 14.324 -9.152 240 HB3 ALA 34 HB3 ALA 34 7.649 14.633 -9.241 241 H GLU 35 H GLU 35 4.753 12.712 -11.408 242 HA GLU 35 HA GLU 35 5.492 11.702 -13.919 243 HB2 GLU 35 HB2 GLU 35 3.089 12.451 -12.600 244 HB3 GLU 35 HB3 GLU 35 3.106 13.256 -14.163 245 HG2 GLU 35 HG2 GLU 35 3.390 10.303 -13.663 246 HG3 GLU 35 HG3 GLU 35 1.986 11.130 -14.334 247 H SER 36 H SER 36 4.738 15.023 -12.900 248 HA SER 36 HA SER 36 6.564 16.104 -14.836 249 HB2 SER 36 HB2 SER 36 4.343 15.622 -16.073 250 HB3 SER 36 HB3 SER 36 3.702 16.984 -15.155 251 HG SER 36 HG SER 36 4.880 17.207 -17.382 252 H GLY 37 H GLY 37 5.857 18.701 -14.923 253 HA2 GLY 37 HA2 GLY 37 5.076 19.653 -12.306 254 HA3 GLY 37 HA3 GLY 37 6.784 19.860 -12.666 255 H GLU 38 H GLU 38 4.671 21.864 -12.218 256 HA GLU 38 HA GLU 38 5.244 23.490 -14.559 257 HB2 GLU 38 HB2 GLU 38 2.923 24.135 -14.912 258 HB3 GLU 38 HB3 GLU 38 3.110 22.399 -15.110 259 HG2 GLU 38 HG2 GLU 38 2.402 22.322 -12.603 260 HG3 GLU 38 HG3 GLU 38 1.744 23.921 -12.945 261 H CYS 39 H CYS 39 5.456 25.623 -14.091 262 HA CYS 39 HA CYS 39 5.600 26.375 -11.338 263 HB2 CYS 39 HB2 CYS 39 6.012 27.870 -13.922 264 HB3 CYS 39 HB3 CYS 39 6.112 28.669 -12.357 265 H LYS 40 H LYS 40 4.375 27.903 -10.227 266 HA LYS 40 HA LYS 40 2.008 29.016 -11.497 267 HB2 LYS 40 HB2 LYS 40 1.958 26.810 -9.518 268 HB3 LYS 40 HB3 LYS 40 0.801 28.110 -9.264 269 HG2 LYS 40 HG2 LYS 40 -0.420 27.570 -11.090 270 HG3 LYS 40 HG3 LYS 40 0.985 27.011 -12.001 271 HD2 LYS 40 HD2 LYS 40 1.052 25.003 -10.516 272 HD3 LYS 40 HD3 LYS 40 -0.469 25.545 -9.803 273 HE2 LYS 40 HE2 LYS 40 -0.069 25.000 -12.741 274 HE3 LYS 40 HE3 LYS 40 -0.724 23.829 -11.597 275 HZ1 LYS 40 HZ1 LYS 40 -2.359 25.780 -11.082 276 HZ2 LYS 40 HZ2 LYS 40 -1.938 26.285 -12.642 277 HZ3 LYS 40 HZ3 LYS 40 -2.629 24.759 -12.404 278 H TRP 41 H TRP 41 1.888 31.067 -10.895 279 HA TRP 41 HA TRP 41 3.369 32.022 -8.612 280 HB2 TRP 41 HB2 TRP 41 3.040 33.187 -10.915 281 HB3 TRP 41 HB3 TRP 41 1.498 33.713 -10.244 282 HD1 TRP 41 HD1 TRP 41 5.150 33.721 -8.888 283 HE1 TRP 41 HE1 TRP 41 5.594 36.036 -7.855 284 HE3 TRP 41 HE3 TRP 41 0.609 35.893 -9.781 285 HZ2 TRP 41 HZ2 TRP 41 4.203 38.462 -7.469 286 HZ3 TRP 41 HZ3 TRP 41 0.247 38.214 -9.048 287 HH2 TRP 41 HH2 TRP 41 2.009 39.469 -7.916 288 H PHE 42 H PHE 42 2.320 31.139 -6.822 289 HA PHE 42 HA PHE 42 -0.499 31.706 -6.411 290 HB2 PHE 42 HB2 PHE 42 0.235 29.530 -5.711 291 HB3 PHE 42 HB3 PHE 42 1.549 30.218 -4.763 292 HD1 PHE 42 HD1 PHE 42 -2.134 30.794 -4.999 293 HD2 PHE 42 HD2 PHE 42 1.227 30.001 -2.511 294 HE1 PHE 42 HE1 PHE 42 -3.593 30.840 -3.018 295 HE2 PHE 42 HE2 PHE 42 -0.227 30.044 -0.527 296 HZ PHE 42 HZ PHE 42 -2.641 30.463 -0.779 297 H THR 43 H THR 43 2.633 32.729 -5.194 298 HA THR 43 HA THR 43 1.288 34.928 -3.773 299 HB THR 43 HB THR 43 3.849 34.017 -2.616 300 HG1 THR 43 HG1 THR 43 3.074 32.174 -1.765 301 HG21 THR 43 HG21 THR 43 1.302 35.258 -1.754 302 HG22 THR 43 HG22 THR 43 2.132 34.254 -0.566 303 HG23 THR 43 HG23 THR 43 2.961 35.634 -1.288 304 H SER 44 H SER 44 3.032 36.637 -3.134 305 HA SER 44 HA SER 44 4.378 37.359 -5.605 306 HB2 SER 44 HB2 SER 44 4.077 38.916 -3.024 307 HB3 SER 44 HB3 SER 44 4.698 39.551 -4.548 308 HG SER 44 HG SER 44 2.591 40.096 -4.560 309 H SER 45 H SER 45 5.374 35.195 -3.804 310 HA SER 45 HA SER 45 7.983 36.326 -3.056 311 HB2 SER 45 HB2 SER 45 6.512 33.853 -2.150 312 HB3 SER 45 HB3 SER 45 8.227 34.096 -1.820 313 HG SER 45 HG SER 45 6.339 34.925 -0.330 314 H GLY 46 H GLY 46 6.836 35.286 -5.745 315 HA2 GLY 46 HA2 GLY 46 8.367 34.703 -7.525 316 HA3 GLY 46 HA3 GLY 46 9.213 33.664 -6.388 317 H ASN 47 H ASN 47 8.254 32.903 -8.968 318 HA ASN 47 HA ASN 47 5.809 31.480 -8.782 319 HB2 ASN 47 HB2 ASN 47 8.052 30.771 -10.664 320 HB3 ASN 47 HB3 ASN 47 6.318 30.611 -10.920 321 HD21 ASN 47 HD21 ASN 47 5.326 32.154 -12.012 322 HD22 ASN 47 HD22 ASN 47 5.974 33.716 -12.363 323 H ALA 48 H ALA 48 5.382 29.648 -7.757 324 HA ALA 48 HA ALA 48 7.553 28.075 -6.643 325 HB1 ALA 48 HB1 ALA 48 4.704 27.299 -6.288 326 HB2 ALA 48 HB2 ALA 48 6.043 27.243 -5.142 327 HB3 ALA 48 HB3 ALA 48 5.274 28.783 -5.524 328 H CYS 49 H CYS 49 7.456 25.684 -6.762 329 HA CYS 49 HA CYS 49 6.818 24.855 -9.505 330 HB2 CYS 49 HB2 CYS 49 9.130 24.519 -8.945 331 HB3 CYS 49 HB3 CYS 49 8.704 23.709 -7.440 332 H TRP 50 H TRP 50 5.082 23.650 -9.836 333 HA TRP 50 HA TRP 50 3.912 22.199 -7.567 334 HB2 TRP 50 HB2 TRP 50 2.354 23.723 -8.556 335 HB3 TRP 50 HB3 TRP 50 2.733 23.153 -10.179 336 HD1 TRP 50 HD1 TRP 50 1.616 20.861 -10.971 337 HE1 TRP 50 HE1 TRP 50 -0.390 19.521 -10.077 338 HE3 TRP 50 HE3 TRP 50 1.135 23.079 -6.390 339 HZ2 TRP 50 HZ2 TRP 50 -1.968 19.416 -7.738 340 HZ3 TRP 50 HZ3 TRP 50 -0.649 22.300 -4.885 341 HH2 TRP 50 HH2 TRP 50 -2.167 20.507 -5.547 342 H CYS 51 H CYS 51 4.307 20.098 -7.452 343 HA CYS 51 HA CYS 51 4.970 18.635 -9.909 344 HB2 CYS 51 HB2 CYS 51 5.488 18.034 -6.995 345 HB3 CYS 51 HB3 CYS 51 5.791 16.874 -8.284 346 H VAL 52 H VAL 52 3.954 16.696 -10.440 347 HA VAL 52 HA VAL 52 1.281 16.389 -9.279 348 HB VAL 52 HB VAL 52 2.408 15.215 -11.825 349 HG11 VAL 52 HG11 VAL 52 -0.125 14.933 -12.258 350 HG12 VAL 52 HG12 VAL 52 0.696 13.772 -11.214 351 HG13 VAL 52 HG13 VAL 52 -0.275 15.064 -10.506 352 HG21 VAL 52 HG21 VAL 52 0.822 16.869 -12.888 353 HG22 VAL 52 HG22 VAL 52 0.696 17.635 -11.306 354 HG23 VAL 52 HG23 VAL 52 2.254 17.559 -12.128 355 H LYS 53 H LYS 53 0.507 14.424 -8.527 356 HA LYS 53 HA LYS 53 0.761 12.583 -7.169 357 HB2 LYS 53 HB2 LYS 53 1.391 10.604 -8.426 358 HB3 LYS 53 HB3 LYS 53 0.412 11.663 -9.432 359 HG2 LYS 53 HG2 LYS 53 2.191 12.247 -10.782 360 HG3 LYS 53 HG3 LYS 53 3.391 11.825 -9.559 361 HD2 LYS 53 HD2 LYS 53 1.858 9.502 -10.215 362 HD3 LYS 53 HD3 LYS 53 2.453 10.244 -11.702 363 HE2 LYS 53 HE2 LYS 53 4.674 10.387 -10.197 364 HE3 LYS 53 HE3 LYS 53 3.931 8.954 -9.491 365 HZ1 LYS 53 HZ1 LYS 53 4.496 9.341 -12.380 366 HZ2 LYS 53 HZ2 LYS 53 5.424 8.404 -11.321 367 HZ3 LYS 53 HZ3 LYS 53 3.832 7.954 -11.675 368 H LEU 54 H LEU 54 2.736 14.434 -6.547 369 HA LEU 54 HA LEU 54 5.353 13.373 -6.584 370 HB2 LEU 54 HB2 LEU 54 4.435 15.773 -6.047 371 HB3 LEU 54 HB3 LEU 54 4.432 15.172 -4.391 372 HG LEU 54 HG LEU 54 6.839 14.754 -4.535 373 HD11 LEU 54 HD11 LEU 54 6.365 14.984 -7.321 374 HD12 LEU 54 HD12 LEU 54 7.497 16.254 -6.854 375 HD13 LEU 54 HD13 LEU 54 7.863 14.567 -6.490 376 HD21 LEU 54 HD21 LEU 54 7.336 16.873 -3.977 377 HD22 LEU 54 HD22 LEU 54 6.729 17.527 -5.499 378 HD23 LEU 54 HD23 LEU 54 5.606 17.145 -4.193 379 HA PRO 55 HA PRO 55 4.955 10.213 -3.511 380 HB2 PRO 55 HB2 PRO 55 7.605 9.746 -3.158 381 HB3 PRO 55 HB3 PRO 55 6.712 9.185 -4.576 382 HG2 PRO 55 HG2 PRO 55 8.472 11.587 -4.275 383 HG3 PRO 55 HG3 PRO 55 8.380 10.429 -5.614 384 HD2 PRO 55 HD2 PRO 55 7.189 12.859 -5.705 385 HD3 PRO 55 HD3 PRO 55 6.514 11.433 -6.520 386 H LYS 56 H LYS 56 4.975 10.087 -1.314 387 HA LYS 56 HA LYS 56 5.217 12.370 0.243 388 HB2 LYS 56 HB2 LYS 56 5.217 9.442 0.921 389 HB3 LYS 56 HB3 LYS 56 5.396 10.658 2.177 390 HG2 LYS 56 HG2 LYS 56 3.254 11.522 1.809 391 HG3 LYS 56 HG3 LYS 56 3.110 10.729 0.238 392 HD2 LYS 56 HD2 LYS 56 1.763 9.460 1.690 393 HD3 LYS 56 HD3 LYS 56 3.254 8.530 1.522 394 HE2 LYS 56 HE2 LYS 56 2.895 10.486 3.766 395 HE3 LYS 56 HE3 LYS 56 2.244 8.851 3.876 396 HZ1 LYS 56 HZ1 LYS 56 4.843 8.568 3.000 397 HZ2 LYS 56 HZ2 LYS 56 4.915 9.737 4.222 398 HZ3 LYS 56 HZ3 LYS 56 4.244 8.217 4.544 399 H SER 57 H SER 57 7.622 10.011 -0.666 400 HA SER 57 HA SER 57 9.585 10.422 1.229 401 HB2 SER 57 HB2 SER 57 9.556 9.563 -1.608 402 HB3 SER 57 HB3 SER 57 11.111 10.109 -0.980 403 HG SER 57 HG SER 57 10.612 8.609 0.835 404 H GLU 58 H GLU 58 8.717 12.416 -1.532 405 HA GLU 58 HA GLU 58 10.960 14.192 -1.222 406 HB2 GLU 58 HB2 GLU 58 8.426 14.436 -2.851 407 HB3 GLU 58 HB3 GLU 58 9.763 15.575 -2.916 408 HG2 GLU 58 HG2 GLU 58 10.007 12.649 -3.565 409 HG3 GLU 58 HG3 GLU 58 9.734 13.914 -4.761 410 HA PRO 59 HA PRO 59 9.351 16.983 1.759 411 HB2 PRO 59 HB2 PRO 59 10.420 19.329 0.908 412 HB3 PRO 59 HB3 PRO 59 11.380 18.056 1.670 413 HG2 PRO 59 HG2 PRO 59 11.058 18.704 -1.235 414 HG3 PRO 59 HG3 PRO 59 12.530 18.284 -0.339 415 HD2 PRO 59 HD2 PRO 59 11.195 16.493 -1.869 416 HD3 PRO 59 HD3 PRO 59 12.072 16.026 -0.398 417 H ILE 60 H ILE 60 8.015 18.919 2.048 418 HA ILE 60 HA ILE 60 6.579 19.884 -0.290 419 HB ILE 60 HB ILE 60 4.364 19.440 0.800 420 HG12 ILE 60 HG12 ILE 60 5.984 17.522 2.489 421 HG13 ILE 60 HG13 ILE 60 5.252 19.011 3.075 422 HG21 ILE 60 HG21 ILE 60 5.175 18.112 -1.084 423 HG22 ILE 60 HG22 ILE 60 5.984 17.015 0.035 424 HG23 ILE 60 HG23 ILE 60 4.225 17.129 0.030 425 HD11 ILE 60 HD11 ILE 60 3.249 17.464 1.783 426 HD12 ILE 60 HD12 ILE 60 4.116 16.439 2.926 427 HD13 ILE 60 HD13 ILE 60 3.368 17.938 3.477 428 H LYS 61 H LYS 61 5.278 21.757 0.142 429 HA LYS 61 HA LYS 61 6.451 23.658 1.761 430 HB2 LYS 61 HB2 LYS 61 4.905 24.181 -0.082 431 HB3 LYS 61 HB3 LYS 61 3.564 23.554 0.867 432 HG2 LYS 61 HG2 LYS 61 3.672 26.004 0.888 433 HG3 LYS 61 HG3 LYS 61 3.847 25.308 2.502 434 HD2 LYS 61 HD2 LYS 61 5.967 26.048 2.727 435 HD3 LYS 61 HD3 LYS 61 6.364 25.737 1.036 436 HE2 LYS 61 HE2 LYS 61 6.414 28.141 1.631 437 HE3 LYS 61 HE3 LYS 61 5.261 27.762 0.352 438 HZ1 LYS 61 HZ1 LYS 61 4.758 29.092 2.724 439 HZ2 LYS 61 HZ2 LYS 61 3.625 28.583 1.575 440 HZ3 LYS 61 HZ3 LYS 61 4.012 27.582 2.884 441 H VAL 62 H VAL 62 6.519 23.964 3.882 442 HA VAL 62 HA VAL 62 4.356 22.831 5.537 443 HB VAL 62 HB VAL 62 6.171 22.711 7.354 444 HG11 VAL 62 HG11 VAL 62 6.808 20.479 6.686 445 HG12 VAL 62 HG12 VAL 62 5.125 20.765 6.247 446 HG13 VAL 62 HG13 VAL 62 6.380 20.824 5.010 447 HG21 VAL 62 HG21 VAL 62 8.337 23.033 6.858 448 HG22 VAL 62 HG22 VAL 62 8.195 22.245 5.286 449 HG23 VAL 62 HG23 VAL 62 7.718 23.933 5.473 450 HA PRO 63 HA PRO 63 3.743 26.796 7.318 451 HB2 PRO 63 HB2 PRO 63 3.101 26.150 9.876 452 HB3 PRO 63 HB3 PRO 63 2.013 25.868 8.511 453 HG2 PRO 63 HG2 PRO 63 3.834 23.947 9.911 454 HG3 PRO 63 HG3 PRO 63 2.165 23.708 9.362 455 HD2 PRO 63 HD2 PRO 63 4.300 22.788 7.974 456 HD3 PRO 63 HD3 PRO 63 2.803 23.321 7.181 457 H GLY 64 H GLY 64 4.961 28.381 8.188 458 HA2 GLY 64 HA2 GLY 64 6.467 28.445 10.441 459 HA3 GLY 64 HA3 GLY 64 7.546 27.692 9.276 460 H LYS 65 H LYS 65 8.851 29.026 8.232 461 HA LYS 65 HA LYS 65 7.931 31.598 7.295 462 HB2 LYS 65 HB2 LYS 65 8.792 31.789 9.759 463 HB3 LYS 65 HB3 LYS 65 10.382 31.663 9.019 464 HG2 LYS 65 HG2 LYS 65 9.879 33.619 7.628 465 HG3 LYS 65 HG3 LYS 65 8.301 33.753 8.408 466 HD2 LYS 65 HD2 LYS 65 9.265 34.296 10.491 467 HD3 LYS 65 HD3 LYS 65 10.872 33.785 9.969 468 HE2 LYS 65 HE2 LYS 65 9.475 36.005 8.537 469 HE3 LYS 65 HE3 LYS 65 10.274 36.322 10.076 470 HZ1 LYS 65 HZ1 LYS 65 11.437 35.622 7.487 471 HZ2 LYS 65 HZ2 LYS 65 11.988 36.709 8.661 472 HZ3 LYS 65 HZ3 LYS 65 12.217 35.047 8.873 473 H CYS 66 H CYS 66 8.645 31.672 5.279 474 HA CYS 66 HA CYS 66 10.864 30.083 4.394 475 HB2 CYS 66 HB2 CYS 66 8.872 30.473 2.981 476 HB3 CYS 66 HB3 CYS 66 9.278 32.183 2.900 477 H HIS 67 H HIS 67 12.925 30.648 4.474 478 HA HIS 67 HA HIS 67 13.609 33.512 4.384 479 HB2 HIS 67 HB2 HIS 67 15.599 32.883 5.827 480 HB3 HIS 67 HB3 HIS 67 14.029 32.838 6.624 481 HD1 HIS 67 HD1 HIS 67 16.771 30.605 5.378 482 HD2 HIS 67 HD2 HIS 67 13.202 30.323 7.488 483 HE1 HIS 67 HE1 HIS 67 16.730 28.275 6.321
Contact the webmaster for help, if required. Tuesday, June 25, 2024 5:51:44 AM GMT (wattos1)