NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
566674 | 2mdg | 19486 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -12.818 22.289 7.016 2 H2 MET 1 HT2 MET 1 -13.042 23.868 6.468 3 H3 MET 1 HT3 MET 1 -12.611 23.585 8.079 4 HA MET 1 HA MET 1 -10.957 22.970 5.707 5 HB2 MET 1 HB2 MET 1 -10.645 25.165 7.809 6 HB3 MET 1 HB1 MET 1 -9.476 24.811 6.540 7 HG2 MET 1 HG2 MET 1 -12.296 25.843 6.153 8 HG3 MET 1 HG1 MET 1 -10.796 26.745 5.916 9 HE1 MET 1 HE1 MET 1 -11.465 27.491 3.416 10 HE2 MET 1 HE2 MET 1 -13.025 26.714 3.697 11 HE3 MET 1 HE3 MET 1 -12.114 26.353 2.232 12 H GLY 2 HN GLY 2 -8.500 23.119 6.864 13 HA2 GLY 2 HA2 GLY 2 -7.871 22.084 9.287 14 HA3 GLY 2 HA1 GLY 2 -8.361 20.652 8.383 15 H SER 3 HN SER 3 -6.451 19.645 8.124 16 HA SER 3 HA SER 3 -4.547 20.743 6.221 17 HB2 SER 3 HB2 SER 3 -2.574 20.209 7.742 18 HB3 SER 3 HB1 SER 3 -3.538 21.585 8.264 19 HG SER 3 HG SER 3 -4.515 19.327 9.358 20 H HIS 4 HN HIS 4 -5.081 19.106 4.875 21 HA HIS 4 HA HIS 4 -5.081 16.357 5.336 22 HB2 HIS 4 HB2 HIS 4 -5.366 17.892 3.040 23 HB3 HIS 4 HB1 HIS 4 -3.829 17.094 2.715 24 HD1 HIS 4 HD1 HIS 4 -7.316 16.626 2.194 25 HD2 HIS 4 HD2 HIS 4 -4.183 14.095 3.221 26 HE1 HIS 4 HE1 HIS 4 -8.129 14.304 1.714 27 HE2 HIS 4 HE2 HIS 4 -6.328 12.804 2.609 28 H LYS 5 HN LYS 5 -3.535 15.440 6.579 29 HA LYS 5 HA LYS 5 -0.668 16.080 6.113 30 HB2 LYS 5 HB2 LYS 5 -1.724 17.217 8.125 31 HB3 LYS 5 HB1 LYS 5 -2.020 15.623 8.808 32 HG2 LYS 5 HG2 LYS 5 0.401 15.193 8.903 33 HG3 LYS 5 HG1 LYS 5 0.718 16.758 8.148 34 HD2 LYS 5 HD2 LYS 5 1.093 17.015 10.512 35 HD3 LYS 5 HD1 LYS 5 -0.404 17.861 10.125 36 HE2 LYS 5 HE2 LYS 5 -1.713 15.972 11.004 37 HE3 LYS 5 HE1 LYS 5 -0.228 15.077 11.332 38 HZ1 LYS 5 HZ1 LYS 5 -1.049 16.095 13.321 39 HZ2 LYS 5 HZ2 LYS 5 -1.054 17.623 12.603 40 HZ3 LYS 5 HZ3 LYS 5 0.411 16.826 12.887 41 H CYS 6 HN CYS 6 0.836 14.386 6.709 42 HA CYS 6 HA CYS 6 0.112 11.915 5.612 43 HB2 CYS 6 HB2 CYS 6 2.412 12.721 5.467 44 HB3 CYS 6 HB1 CYS 6 2.602 12.621 7.229 45 H ASN 7 HN ASN 7 0.534 12.856 8.984 46 HA ASN 7 HA ASN 7 -0.143 12.066 10.945 47 HB2 ASN 7 HB2 ASN 7 -2.030 10.798 11.195 48 HB3 ASN 7 HB1 ASN 7 -2.173 11.037 9.463 49 HD21 ASN 7 HD21 ASN 7 -1.408 8.737 11.991 50 HD22 ASN 7 HD22 ASN 7 -1.550 7.323 11.004 51 H VAL 8 HN VAL 8 0.949 9.379 8.842 52 HA VAL 8 HA VAL 8 2.372 7.863 10.727 53 HB VAL 8 HB VAL 8 3.160 8.248 7.802 54 HG11 VAL 8 HG11 VAL 8 4.048 5.944 7.948 55 HG12 VAL 8 HG12 VAL 8 3.595 5.879 9.652 56 HG13 VAL 8 HG13 VAL 8 4.839 7.007 9.116 57 HG21 VAL 8 HG21 VAL 8 0.757 7.730 7.927 58 HG22 VAL 8 HG22 VAL 8 1.095 6.337 8.956 59 HG23 VAL 8 HG23 VAL 8 1.644 6.347 7.281 60 H CYS 9 HN CYS 9 3.656 10.333 8.466 61 HA CYS 9 HA CYS 9 6.063 10.780 10.022 62 HB2 CYS 9 HB2 CYS 9 4.905 12.453 7.754 63 HB3 CYS 9 HB1 CYS 9 6.511 12.645 8.446 64 H SER 10 HN SER 10 3.068 12.497 9.287 65 HA SER 10 HA SER 10 1.875 14.159 10.180 66 HB2 SER 10 HB2 SER 10 2.033 12.925 12.314 67 HB3 SER 10 HB1 SER 10 3.563 13.717 12.687 68 HG SER 10 HG SER 10 1.643 14.644 13.695 69 H ARG 11 HN ARG 11 5.032 14.492 9.346 70 HA ARG 11 HA ARG 11 5.257 17.359 10.084 71 HB2 ARG 11 HB2 ARG 11 7.492 15.439 9.349 72 HB3 ARG 11 HB1 ARG 11 7.670 17.064 10.007 73 HG2 ARG 11 HG2 ARG 11 6.703 16.314 12.141 74 HG3 ARG 11 HG1 ARG 11 6.475 14.693 11.476 75 HD2 ARG 11 HD2 ARG 11 9.110 16.111 11.994 76 HD3 ARG 11 HD1 ARG 11 8.488 14.678 12.813 77 HE ARG 11 HE ARG 11 8.645 13.567 10.528 78 HH11 ARG 11 HH11 ARG 11 10.875 16.077 11.538 79 HH12 ARG 11 HH12 ARG 11 12.124 15.567 10.450 80 HH21 ARG 11 HH21 ARG 11 10.295 12.920 9.111 81 HH22 ARG 11 HH22 ARG 11 11.804 13.772 9.092 82 H THR 12 HN THR 12 4.252 15.835 7.361 83 HA THR 12 HA THR 12 5.578 17.723 5.586 84 HB THR 12 HB THR 12 7.227 15.861 5.709 85 HG1 THR 12 HG1 THR 12 7.251 17.014 3.816 86 HG21 THR 12 HG21 THR 12 6.730 13.715 4.562 87 HG22 THR 12 HG22 THR 12 5.042 14.202 4.403 88 HG23 THR 12 HG23 THR 12 5.733 13.931 6.004 89 H PHE 13 HN PHE 13 4.557 18.222 3.905 90 HA PHE 13 HA PHE 13 3.283 16.581 2.062 91 HB2 PHE 13 HB2 PHE 13 1.075 17.926 1.849 92 HB3 PHE 13 HB1 PHE 13 1.134 16.704 3.087 93 HD1 PHE 13 HD2 PHE 13 1.123 20.342 2.426 94 HD2 PHE 13 HD1 PHE 13 0.948 17.325 5.452 95 HE1 PHE 13 HE2 PHE 13 0.364 22.017 4.057 96 HE2 PHE 13 HE1 PHE 13 0.184 19.007 7.072 97 HZ PHE 13 HZ PHE 13 -0.110 21.352 6.384 98 H PHE 14 HN PHE 14 3.349 17.600 0.031 99 HA PHE 14 HA PHE 14 4.644 20.205 -0.170 100 HB2 PHE 14 HB2 PHE 14 5.305 18.406 -1.730 101 HB3 PHE 14 HB1 PHE 14 3.642 18.229 -2.278 102 HD1 PHE 14 HD1 PHE 14 6.365 20.821 -2.060 103 HD2 PHE 14 HD2 PHE 14 2.999 19.346 -4.263 104 HE1 PHE 14 HE1 PHE 14 6.790 22.470 -3.833 105 HE2 PHE 14 HE2 PHE 14 3.446 20.995 -6.032 106 HZ PHE 14 HZ PHE 14 5.342 22.560 -5.826 107 H SER 15 HN SER 15 1.550 18.723 -0.444 108 HA SER 15 HA SER 15 -0.077 21.037 -0.298 109 HB2 SER 15 HB2 SER 15 -1.131 20.793 -2.615 110 HB3 SER 15 HB1 SER 15 0.515 21.424 -2.640 111 HG SER 15 HG SER 15 0.914 19.837 -3.944 112 H GLU 16 HN GLU 16 -2.520 20.049 -1.217 113 HA GLU 16 HA GLU 16 -3.027 17.742 0.436 114 HB2 GLU 16 HB2 GLU 16 -4.863 19.320 0.017 115 HB3 GLU 16 HB1 GLU 16 -4.773 19.021 -1.714 116 HG2 GLU 16 HG2 GLU 16 -5.537 16.723 -1.414 117 HG3 GLU 16 HG1 GLU 16 -5.504 16.906 0.339 118 H ASN 17 HN ASN 17 -2.535 18.312 -3.039 119 HA ASN 17 HA ASN 17 -2.960 15.615 -3.948 120 HB2 ASN 17 HB2 ASN 17 -3.219 17.562 -5.465 121 HB3 ASN 17 HB1 ASN 17 -1.525 17.980 -5.238 122 HD21 ASN 17 HD21 ASN 17 -0.950 17.817 -7.385 123 HD22 ASN 17 HD22 ASN 17 -0.934 16.334 -8.274 124 H GLY 18 HN GLY 18 -0.264 17.600 -3.041 125 HA2 GLY 18 HA2 GLY 18 1.955 15.956 -3.501 126 HA3 GLY 18 HA1 GLY 18 1.859 17.183 -2.245 127 H LEU 19 HN LEU 19 -0.036 16.226 -0.536 128 HA LEU 19 HA LEU 19 1.174 14.178 0.909 129 HB2 LEU 19 HB2 LEU 19 -0.434 16.071 1.623 130 HB3 LEU 19 HB1 LEU 19 -1.732 14.997 1.187 131 HG LEU 19 HG LEU 19 -0.988 15.140 3.689 132 HD11 LEU 19 HD11 LEU 19 -1.512 12.787 4.151 133 HD12 LEU 19 HD12 LEU 19 -1.339 12.412 2.434 134 HD13 LEU 19 HD13 LEU 19 -2.614 13.504 2.979 135 HD21 LEU 19 HD21 LEU 19 1.445 14.891 3.259 136 HD22 LEU 19 HD22 LEU 19 1.171 13.221 2.741 137 HD23 LEU 19 HD23 LEU 19 0.821 13.711 4.398 138 H ARG 20 HN ARG 20 -1.590 14.098 -1.298 139 HA ARG 20 HA ARG 20 -2.489 11.465 -0.941 140 HB2 ARG 20 HB2 ARG 20 -2.411 13.182 -3.454 141 HB3 ARG 20 HB1 ARG 20 -3.268 11.654 -3.375 142 HG2 ARG 20 HG2 ARG 20 -3.977 13.751 -1.336 143 HG3 ARG 20 HG1 ARG 20 -4.496 14.010 -3.001 144 HD2 ARG 20 HD2 ARG 20 -6.244 12.926 -1.668 145 HD3 ARG 20 HD1 ARG 20 -5.708 11.881 -2.985 146 HE ARG 20 HE ARG 20 -4.856 11.554 -0.164 147 HH11 ARG 20 HH11 ARG 20 -5.785 10.104 -3.220 148 HH12 ARG 20 HH12 ARG 20 -5.814 8.491 -2.583 149 HH21 ARG 20 HH21 ARG 20 -4.901 9.446 0.666 150 HH22 ARG 20 HH22 ARG 20 -5.289 8.118 -0.380 151 H GLU 21 HN GLU 21 -0.118 12.666 -3.330 152 HA GLU 21 HA GLU 21 0.812 10.221 -4.308 153 HB2 GLU 21 HB2 GLU 21 1.318 12.418 -5.363 154 HB3 GLU 21 HB1 GLU 21 2.342 12.831 -3.991 155 HG2 GLU 21 HG2 GLU 21 3.816 10.847 -4.603 156 HG3 GLU 21 HG1 GLU 21 2.854 10.669 -6.070 157 H HIS 22 HN HIS 22 1.888 12.158 -1.552 158 HA HIS 22 HA HIS 22 4.155 10.590 -0.871 159 HB2 HIS 22 HB2 HIS 22 4.107 12.916 -0.185 160 HB3 HIS 22 HB1 HIS 22 2.632 12.673 0.746 161 HD1 HIS 22 HD1 HIS 22 6.270 11.562 0.775 162 HD2 HIS 22 HD2 HIS 22 3.039 12.016 3.333 163 HE1 HIS 22 HE1 HIS 22 7.064 10.836 3.057 164 H LEU 23 HN LEU 23 0.767 10.245 -0.098 165 HA LEU 23 HA LEU 23 0.990 8.930 2.373 166 HB2 LEU 23 HB2 LEU 23 -1.124 9.938 1.302 167 HB3 LEU 23 HB1 LEU 23 -1.244 8.443 0.388 168 HG LEU 23 HG LEU 23 -1.221 7.190 2.618 169 HD11 LEU 23 HD11 LEU 23 -1.659 9.966 3.761 170 HD12 LEU 23 HD12 LEU 23 -0.251 8.936 4.027 171 HD13 LEU 23 HD13 LEU 23 -1.826 8.450 4.653 172 HD21 LEU 23 HD21 LEU 23 -3.309 7.513 1.350 173 HD22 LEU 23 HD22 LEU 23 -3.559 9.067 2.150 174 HD23 LEU 23 HD23 LEU 23 -3.594 7.573 3.087 175 H GLN 24 HN GLN 24 1.265 7.780 -0.920 176 HA GLN 24 HA GLN 24 0.933 4.996 -0.373 177 HB2 GLN 24 HB2 GLN 24 1.969 6.439 -2.817 178 HB3 GLN 24 HB1 GLN 24 1.575 4.723 -2.750 179 HG2 GLN 24 HG2 GLN 24 -0.424 6.930 -2.203 180 HG3 GLN 24 HG1 GLN 24 -0.165 6.204 -3.772 181 HE21 GLN 24 HE21 GLN 24 -2.327 5.509 -3.871 182 HE22 GLN 24 HE22 GLN 24 -2.903 4.173 -2.945 183 H THR 25 HN THR 25 3.597 7.143 -0.039 184 HA THR 25 HA THR 25 5.783 5.493 -0.757 185 HB THR 25 HB THR 25 7.212 7.035 0.510 186 HG1 THR 25 HG1 THR 25 5.360 8.765 1.424 187 HG21 THR 25 HG21 THR 25 6.379 7.848 -1.673 188 HG22 THR 25 HG22 THR 25 6.593 9.174 -0.528 189 HG23 THR 25 HG23 THR 25 4.978 8.552 -0.860 190 H HIS 26 HN HIS 26 3.633 5.186 1.862 191 HA HIS 26 HA HIS 26 5.586 3.840 3.612 192 HB2 HIS 26 HB2 HIS 26 2.781 4.868 4.214 193 HB3 HIS 26 HB1 HIS 26 3.803 4.017 5.375 194 HD1 HIS 26 HD1 HIS 26 6.014 5.295 6.147 195 HD2 HIS 26 HD2 HIS 26 3.342 7.552 3.892 196 HE1 HIS 26 HE1 HIS 26 6.769 7.696 6.336 197 H ARG 27 HN ARG 27 2.958 3.135 1.409 198 HA ARG 27 HA ARG 27 2.580 0.406 2.085 199 HB2 ARG 27 HB2 ARG 27 2.845 1.417 -0.789 200 HB3 ARG 27 HB1 ARG 27 1.910 0.040 -0.216 201 HG2 ARG 27 HG2 ARG 27 1.260 2.949 0.349 202 HG3 ARG 27 HG1 ARG 27 0.521 1.972 -0.917 203 HD2 ARG 27 HD2 ARG 27 -0.431 0.467 0.774 204 HD3 ARG 27 HD1 ARG 27 0.334 1.414 2.063 205 HE ARG 27 HE ARG 27 -1.336 2.983 0.311 206 HH11 ARG 27 HH11 ARG 27 -1.383 1.006 3.204 207 HH12 ARG 27 HH12 ARG 27 -2.854 1.698 3.805 208 HH21 ARG 27 HH21 ARG 27 -3.263 3.891 1.110 209 HH22 ARG 27 HH22 ARG 27 -3.924 3.338 2.616 210 H GLY 28 HN GLY 28 4.951 2.141 0.177 211 HA2 GLY 28 HA2 GLY 28 7.295 1.714 0.155 212 HA3 GLY 28 HA1 GLY 28 6.980 0.018 0.505 213 HA PRO 29 HA PRO 29 7.504 0.688 -4.190 214 HB2 PRO 29 HB2 PRO 29 9.912 -0.580 -4.533 215 HB3 PRO 29 HB1 PRO 29 9.777 1.148 -4.193 216 HG2 PRO 29 HG2 PRO 29 10.417 -1.108 -2.315 217 HG3 PRO 29 HG1 PRO 29 11.145 0.508 -2.424 218 HD2 PRO 29 HD2 PRO 29 9.257 -0.139 -0.551 219 HD3 PRO 29 HD1 PRO 29 9.447 1.503 -1.203 220 H ALA 30 HN ALA 30 6.235 -0.798 -5.195 221 HA ALA 30 HA ALA 30 5.695 -3.334 -4.026 222 HB1 ALA 30 HB1 ALA 30 4.770 -2.249 -6.711 223 HB2 ALA 30 HB2 ALA 30 3.967 -1.985 -5.161 224 HB3 ALA 30 HB3 ALA 30 4.074 -3.612 -5.827 225 H LYS 31 HN LYS 31 7.841 -4.254 -4.073 226 HA LYS 31 HA LYS 31 8.349 -5.829 -6.538 227 HB2 LYS 31 HB2 LYS 31 10.243 -5.325 -4.194 228 HB3 LYS 31 HB1 LYS 31 10.624 -6.221 -5.661 229 HG2 LYS 31 HG2 LYS 31 10.347 -4.129 -6.979 230 HG3 LYS 31 HG1 LYS 31 10.034 -3.248 -5.482 231 HD2 LYS 31 HD2 LYS 31 12.618 -4.671 -6.244 232 HD3 LYS 31 HD1 LYS 31 12.370 -2.924 -6.172 233 HE2 LYS 31 HE2 LYS 31 12.340 -4.859 -3.825 234 HE3 LYS 31 HE1 LYS 31 13.579 -3.662 -4.201 235 HZ1 LYS 31 HZ1 LYS 31 10.779 -3.115 -3.365 236 HZ2 LYS 31 HZ2 LYS 31 11.874 -1.923 -3.873 237 HZ3 LYS 31 HZ3 LYS 31 12.192 -2.823 -2.476 238 H HIS 32 HN HIS 32 6.235 -6.574 -5.370 239 HA HIS 32 HA HIS 32 6.541 -9.132 -4.208 240 HB2 HIS 32 HB2 HIS 32 5.619 -8.721 -1.957 241 HB3 HIS 32 HB1 HIS 32 7.092 -7.788 -2.160 242 HD1 HIS 32 HD1 HIS 32 3.690 -7.434 -1.009 243 HD2 HIS 32 HD2 HIS 32 6.464 -4.944 -2.848 244 HE1 HIS 32 HE1 HIS 32 2.859 -5.095 -0.640 245 HE2 HIS 32 HE2 HIS 32 4.660 -3.616 -1.573 246 H TYR 33 HN TYR 33 4.310 -10.018 -3.621 247 HA TYR 33 HA TYR 33 2.055 -8.380 -4.554 248 HB2 TYR 33 HB2 TYR 33 2.969 -10.011 -6.439 249 HB3 TYR 33 HB1 TYR 33 2.174 -11.266 -5.507 250 HD1 TYR 33 HD1 TYR 33 1.531 -8.015 -7.267 251 HD2 TYR 33 HD2 TYR 33 -0.211 -11.571 -5.682 252 HE1 TYR 33 HE1 TYR 33 -0.619 -7.443 -8.322 253 HE2 TYR 33 HE2 TYR 33 -2.343 -11.010 -6.741 254 HH TYR 33 HH TYR 33 -3.521 -8.942 -7.513 255 H MET 34 HN MET 34 0.069 -8.936 -3.628 256 HA MET 34 HA MET 34 0.159 -10.682 -1.240 257 HB2 MET 34 HB2 MET 34 -0.411 -8.281 -0.863 258 HB3 MET 34 HB1 MET 34 -1.735 -8.412 -2.011 259 HG2 MET 34 HG2 MET 34 -2.805 -10.081 -0.482 260 HG3 MET 34 HG1 MET 34 -1.529 -9.767 0.690 261 HE1 MET 34 HE1 MET 34 -1.149 -6.539 0.163 262 HE2 MET 34 HE2 MET 34 -1.114 -7.296 1.757 263 HE3 MET 34 HE3 MET 34 -2.178 -5.928 1.466 264 H CYS 35 HN CYS 35 -1.355 -12.335 -1.073 265 HA CYS 35 HA CYS 35 -2.071 -13.584 -3.500 266 HB2 CYS 35 HB2 CYS 35 -1.430 -14.760 -1.433 267 HB3 CYS 35 HB1 CYS 35 -2.902 -14.241 -0.675 268 HA PRO 36 HA PRO 36 -6.318 -12.030 -4.108 269 HB2 PRO 36 HB2 PRO 36 -6.674 -14.620 -5.591 270 HB3 PRO 36 HB1 PRO 36 -6.972 -12.966 -6.146 271 HG2 PRO 36 HG2 PRO 36 -4.845 -14.322 -7.027 272 HG3 PRO 36 HG1 PRO 36 -4.712 -12.591 -6.645 273 HD2 PRO 36 HD2 PRO 36 -3.851 -14.966 -5.001 274 HD3 PRO 36 HD1 PRO 36 -2.989 -13.443 -5.315 275 H ILE 37 HN ILE 37 -5.750 -15.504 -3.343 276 HA ILE 37 HA ILE 37 -8.439 -15.913 -2.430 277 HB ILE 37 HB ILE 37 -6.034 -17.773 -2.221 278 HG12 ILE 37 HG12 ILE 37 -8.051 -17.606 -4.528 279 HG13 ILE 37 HG11 ILE 37 -6.413 -16.971 -4.602 280 HG21 ILE 37 HG21 ILE 37 -7.712 -19.585 -2.218 281 HG22 ILE 37 HG22 ILE 37 -9.007 -18.388 -2.268 282 HG23 ILE 37 HG23 ILE 37 -7.949 -18.489 -0.860 283 HD11 ILE 37 HD11 ILE 37 -6.573 -19.094 -5.748 284 HD12 ILE 37 HD12 ILE 37 -7.190 -19.874 -4.294 285 HD13 ILE 37 HD13 ILE 37 -5.537 -19.260 -4.329 286 H CYS 38 HN CYS 38 -5.242 -16.239 -0.719 287 HA CYS 38 HA CYS 38 -6.670 -15.905 1.849 288 HB2 CYS 38 HB2 CYS 38 -5.122 -17.403 2.848 289 HB3 CYS 38 HB1 CYS 38 -5.607 -18.147 1.339 290 H GLY 39 HN GLY 39 -4.636 -14.095 -0.054 291 HA2 GLY 39 HA2 GLY 39 -3.593 -12.148 0.260 292 HA3 GLY 39 HA1 GLY 39 -4.279 -12.093 1.872 293 H GLU 40 HN GLU 40 -2.215 -14.806 1.360 294 HA GLU 40 HA GLU 40 -0.038 -13.898 2.881 295 HB2 GLU 40 HB2 GLU 40 -0.292 -16.176 0.889 296 HB3 GLU 40 HB1 GLU 40 1.152 -15.919 1.862 297 HG2 GLU 40 HG2 GLU 40 -1.629 -16.421 2.958 298 HG3 GLU 40 HG1 GLU 40 -0.358 -17.624 2.817 299 H ARG 41 HN ARG 41 2.058 -13.266 2.262 300 HA ARG 41 HA ARG 41 2.100 -11.738 -0.275 301 HB2 ARG 41 HB2 ARG 41 3.515 -10.047 0.877 302 HB3 ARG 41 HB1 ARG 41 1.918 -10.192 1.585 303 HG2 ARG 41 HG2 ARG 41 4.323 -11.573 2.812 304 HG3 ARG 41 HG1 ARG 41 3.911 -9.897 3.175 305 HD2 ARG 41 HD2 ARG 41 1.783 -10.550 4.108 306 HD3 ARG 41 HD1 ARG 41 1.997 -12.216 3.577 307 HE ARG 41 HE ARG 41 3.957 -11.110 5.442 308 HH11 ARG 41 HH11 ARG 41 1.157 -13.188 5.038 309 HH12 ARG 41 HH12 ARG 41 1.443 -14.069 6.499 310 HH21 ARG 41 HH21 ARG 41 4.310 -12.249 7.390 311 HH22 ARG 41 HH22 ARG 41 3.224 -13.524 7.846 312 H PHE 42 HN PHE 42 3.794 -11.983 -1.594 313 HA PHE 42 HA PHE 42 6.131 -13.582 -0.739 314 HB2 PHE 42 HB2 PHE 42 4.289 -14.042 -3.119 315 HB3 PHE 42 HB1 PHE 42 5.949 -14.617 -3.137 316 HD1 PHE 42 HD1 PHE 42 2.718 -14.933 -1.293 317 HD2 PHE 42 HD2 PHE 42 6.602 -16.591 -1.965 318 HE1 PHE 42 HE1 PHE 42 2.098 -16.928 -0.006 319 HE2 PHE 42 HE2 PHE 42 5.964 -18.590 -0.680 320 HZ PHE 42 HZ PHE 42 3.714 -18.756 0.306 321 HA PRO 43 HA PRO 43 8.574 -10.362 -2.369 322 HB2 PRO 43 HB2 PRO 43 10.800 -11.597 -3.368 323 HB3 PRO 43 HB1 PRO 43 10.417 -11.556 -1.642 324 HG2 PRO 43 HG2 PRO 43 9.887 -13.744 -3.651 325 HG3 PRO 43 HG1 PRO 43 10.605 -13.865 -2.029 326 HD2 PRO 43 HD2 PRO 43 8.006 -14.444 -2.469 327 HD3 PRO 43 HD1 PRO 43 8.538 -13.670 -0.957 328 H SER 44 HN SER 44 7.061 -12.265 -4.699 329 HA SER 44 HA SER 44 7.302 -10.122 -6.614 330 HB2 SER 44 HB2 SER 44 8.051 -11.632 -8.523 331 HB3 SER 44 HB1 SER 44 9.293 -11.334 -7.313 332 HG SER 44 HG SER 44 9.419 -13.412 -7.150 333 H LEU 45 HN LEU 45 5.984 -10.478 -8.533 334 HA LEU 45 HA LEU 45 3.573 -12.108 -8.136 335 HB2 LEU 45 HB2 LEU 45 3.748 -9.630 -9.119 336 HB3 LEU 45 HB1 LEU 45 4.181 -10.436 -10.613 337 HG LEU 45 HG LEU 45 1.544 -10.771 -9.115 338 HD11 LEU 45 HD11 LEU 45 1.745 -8.544 -10.129 339 HD12 LEU 45 HD12 LEU 45 0.540 -9.504 -10.982 340 HD13 LEU 45 HD13 LEU 45 2.139 -9.270 -11.691 341 HD21 LEU 45 HD21 LEU 45 0.734 -11.957 -11.120 342 HD22 LEU 45 HD22 LEU 45 2.058 -12.820 -10.338 343 HD23 LEU 45 HD23 LEU 45 2.359 -11.895 -11.812 344 H LEU 46 HN LEU 46 5.256 -13.871 -8.094 345 HA LEU 46 HA LEU 46 5.338 -15.413 -10.524 346 HB2 LEU 46 HB2 LEU 46 7.329 -14.007 -10.927 347 HB3 LEU 46 HB1 LEU 46 7.914 -14.302 -9.305 348 HG LEU 46 HG LEU 46 8.333 -16.691 -9.888 349 HD11 LEU 46 HD11 LEU 46 7.492 -15.900 -12.700 350 HD12 LEU 46 HD12 LEU 46 6.644 -17.025 -11.635 351 HD13 LEU 46 HD13 LEU 46 8.247 -17.429 -12.242 352 HD21 LEU 46 HD21 LEU 46 10.158 -15.052 -10.108 353 HD22 LEU 46 HD22 LEU 46 9.678 -14.724 -11.774 354 HD23 LEU 46 HD23 LEU 46 10.289 -16.317 -11.329 355 H THR 47 HN THR 47 7.112 -15.012 -7.460 356 HA THR 47 HA THR 47 6.837 -17.609 -6.459 357 HB THR 47 HB THR 47 7.162 -16.452 -4.184 358 HG1 THR 47 HG1 THR 47 7.823 -14.081 -5.472 359 HG21 THR 47 HG21 THR 47 9.468 -15.739 -4.640 360 HG22 THR 47 HG22 THR 47 9.135 -15.718 -6.373 361 HG23 THR 47 HG23 THR 47 9.101 -17.244 -5.488 362 H LEU 48 HN LEU 48 4.724 -14.746 -6.090 363 HA LEU 48 HA LEU 48 2.729 -15.937 -4.512 364 HB2 LEU 48 HB2 LEU 48 3.094 -13.432 -5.128 365 HB3 LEU 48 HB1 LEU 48 2.200 -13.780 -6.592 366 HG LEU 48 HG LEU 48 0.877 -12.686 -4.719 367 HD11 LEU 48 HD11 LEU 48 -0.314 -13.820 -6.524 368 HD12 LEU 48 HD12 LEU 48 -1.161 -13.985 -4.992 369 HD13 LEU 48 HD13 LEU 48 -0.240 -15.345 -5.632 370 HD21 LEU 48 HD21 LEU 48 1.092 -15.385 -3.362 371 HD22 LEU 48 HD22 LEU 48 0.123 -14.012 -2.826 372 HD23 LEU 48 HD23 LEU 48 1.880 -13.893 -2.829 373 H THR 49 HN THR 49 3.209 -15.929 -8.020 374 HA THR 49 HA THR 49 0.706 -17.021 -8.781 375 HB THR 49 HB THR 49 3.372 -17.134 -10.255 376 HG1 THR 49 HG1 THR 49 1.375 -15.209 -10.748 377 HG21 THR 49 HG21 THR 49 1.655 -18.621 -11.268 378 HG22 THR 49 HG22 THR 49 2.001 -17.239 -12.311 379 HG23 THR 49 HG23 THR 49 0.528 -17.264 -11.342 380 H GLU 50 HN GLU 50 3.869 -18.489 -8.127 381 HA GLU 50 HA GLU 50 3.243 -21.195 -8.633 382 HB2 GLU 50 HB2 GLU 50 5.293 -19.962 -6.751 383 HB3 GLU 50 HB1 GLU 50 5.243 -21.673 -7.180 384 HG2 GLU 50 HG2 GLU 50 5.725 -21.175 -9.494 385 HG3 GLU 50 HG1 GLU 50 5.578 -19.444 -9.209 386 H HIS 51 HN HIS 51 3.139 -19.285 -5.649 387 HA HIS 51 HA HIS 51 2.147 -21.205 -3.860 388 HB2 HIS 51 HB2 HIS 51 2.995 -19.203 -2.911 389 HB3 HIS 51 HB1 HIS 51 2.074 -18.183 -4.008 390 HD1 HIS 51 HD1 HIS 51 1.663 -20.167 -0.804 391 HD2 HIS 51 HD2 HIS 51 -0.381 -17.407 -3.135 392 HE1 HIS 51 HE1 HIS 51 -0.323 -19.409 0.562 393 H LYS 52 HN LYS 52 0.488 -19.095 -6.142 394 HA LYS 52 HA LYS 52 -2.154 -19.348 -5.230 395 HB2 LYS 52 HB2 LYS 52 -1.093 -17.628 -6.895 396 HB3 LYS 52 HB1 LYS 52 -1.420 -18.820 -8.141 397 HG2 LYS 52 HG2 LYS 52 -3.536 -17.516 -6.374 398 HG3 LYS 52 HG1 LYS 52 -3.114 -16.994 -8.001 399 HD2 LYS 52 HD2 LYS 52 -4.373 -19.665 -7.242 400 HD3 LYS 52 HD1 LYS 52 -5.196 -18.310 -8.013 401 HE2 LYS 52 HE2 LYS 52 -2.923 -19.914 -9.239 402 HE3 LYS 52 HE1 LYS 52 -4.628 -20.130 -9.619 403 HZ1 LYS 52 HZ1 LYS 52 -3.060 -17.667 -10.087 404 HZ2 LYS 52 HZ2 LYS 52 -4.692 -17.904 -10.467 405 HZ3 LYS 52 HZ3 LYS 52 -3.499 -18.798 -11.260 406 H VAL 53 HN VAL 53 -0.414 -21.194 -7.805 407 HA VAL 53 HA VAL 53 -2.768 -22.596 -8.601 408 HB VAL 53 HB VAL 53 -1.214 -23.940 -10.038 409 HG11 VAL 53 HG11 VAL 53 -0.829 -20.933 -10.232 410 HG12 VAL 53 HG12 VAL 53 -2.178 -21.856 -10.904 411 HG13 VAL 53 HG13 VAL 53 -0.546 -22.094 -11.528 412 HG21 VAL 53 HG21 VAL 53 1.167 -23.338 -10.206 413 HG22 VAL 53 HG22 VAL 53 0.797 -23.955 -8.594 414 HG23 VAL 53 HG23 VAL 53 0.999 -22.219 -8.854 415 H THR 54 HN THR 54 -0.008 -23.424 -6.522 416 HA THR 54 HA THR 54 -0.984 -26.159 -6.093 417 HB THR 54 HB THR 54 1.138 -26.363 -4.687 418 HG1 THR 54 HG1 THR 54 1.228 -23.951 -4.419 419 HG21 THR 54 HG21 THR 54 1.511 -25.470 -7.568 420 HG22 THR 54 HG22 THR 54 1.131 -27.110 -7.044 421 HG23 THR 54 HG23 THR 54 2.687 -26.389 -6.624 422 H HIS 55 HN HIS 55 -2.055 -23.409 -4.973 423 HA HIS 55 HA HIS 55 -2.127 -23.009 -2.392 424 HB2 HIS 55 HB2 HIS 55 -3.821 -22.341 -4.459 425 HB3 HIS 55 HB1 HIS 55 -4.923 -23.219 -3.417 426 HD1 HIS 55 HD1 HIS 55 -5.595 -22.040 -1.203 427 HD2 HIS 55 HD2 HIS 55 -2.745 -20.000 -3.423 428 HE1 HIS 55 HE1 HIS 55 -5.381 -19.750 -0.155 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -8.649 25.316 0.524 2 H2 MET 1 HT2 MET 1 -8.598 26.432 1.792 3 H3 MET 1 HT3 MET 1 -9.045 24.830 2.094 4 HA MET 1 HA MET 1 -6.397 25.716 1.147 5 HB2 MET 1 HB2 MET 1 -6.717 26.414 3.469 6 HB3 MET 1 HB1 MET 1 -7.345 24.837 3.913 7 HG2 MET 1 HG2 MET 1 -5.140 23.828 3.563 8 HG3 MET 1 HG1 MET 1 -4.493 25.385 3.045 9 HE1 MET 1 HE1 MET 1 -3.975 27.411 4.696 10 HE2 MET 1 HE2 MET 1 -4.549 27.456 6.365 11 HE3 MET 1 HE3 MET 1 -5.704 27.472 5.034 12 H GLY 2 HN GLY 2 -5.344 24.155 0.129 13 HA2 GLY 2 HA2 GLY 2 -6.156 21.311 0.399 14 HA3 GLY 2 HA1 GLY 2 -5.385 22.035 -1.007 15 H SER 3 HN SER 3 -4.867 20.798 2.228 16 HA SER 3 HA SER 3 -2.097 20.223 1.775 17 HB2 SER 3 HB2 SER 3 -2.852 22.258 3.941 18 HB3 SER 3 HB1 SER 3 -1.270 21.492 3.791 19 HG SER 3 HG SER 3 -1.615 22.488 1.479 20 H HIS 4 HN HIS 4 -2.306 18.024 2.512 21 HA HIS 4 HA HIS 4 -4.170 17.471 4.713 22 HB2 HIS 4 HB2 HIS 4 -4.227 16.337 2.338 23 HB3 HIS 4 HB1 HIS 4 -2.802 15.463 2.866 24 HD1 HIS 4 HD1 HIS 4 -6.477 15.643 3.268 25 HD2 HIS 4 HD2 HIS 4 -3.312 13.479 4.862 26 HE1 HIS 4 HE1 HIS 4 -7.528 13.742 4.528 27 HE2 HIS 4 HE2 HIS 4 -5.601 12.566 5.631 28 H LYS 5 HN LYS 5 -3.359 15.852 6.325 29 HA LYS 5 HA LYS 5 -0.468 16.118 6.882 30 HB2 LYS 5 HB2 LYS 5 -1.908 16.920 8.711 31 HB3 LYS 5 HB1 LYS 5 -2.781 15.391 8.734 32 HG2 LYS 5 HG2 LYS 5 -0.693 14.223 9.457 33 HG3 LYS 5 HG1 LYS 5 0.150 15.772 9.468 34 HD2 LYS 5 HD2 LYS 5 -2.251 15.090 11.213 35 HD3 LYS 5 HD1 LYS 5 -0.570 15.002 11.744 36 HE2 LYS 5 HE2 LYS 5 -0.328 17.430 11.352 37 HE3 LYS 5 HE1 LYS 5 -2.014 17.514 10.833 38 HZ1 LYS 5 HZ1 LYS 5 -1.798 18.197 13.109 39 HZ2 LYS 5 HZ2 LYS 5 -1.038 16.749 13.529 40 HZ3 LYS 5 HZ3 LYS 5 -2.657 16.742 13.050 41 H CYS 6 HN CYS 6 0.805 14.359 6.532 42 HA CYS 6 HA CYS 6 -0.224 11.695 6.131 43 HB2 CYS 6 HB2 CYS 6 1.868 12.359 5.068 44 HB3 CYS 6 HB1 CYS 6 2.596 12.722 6.623 45 H ASN 7 HN ASN 7 -0.857 10.341 7.748 46 HA ASN 7 HA ASN 7 -0.778 11.235 10.459 47 HB2 ASN 7 HB2 ASN 7 -2.700 10.003 9.444 48 HB3 ASN 7 HB1 ASN 7 -1.713 8.552 9.360 49 HD21 ASN 7 HD21 ASN 7 -1.268 7.409 11.284 50 HD22 ASN 7 HD22 ASN 7 -2.117 7.716 12.756 51 H VAL 8 HN VAL 8 1.127 8.900 8.602 52 HA VAL 8 HA VAL 8 2.410 7.515 10.720 53 HB VAL 8 HB VAL 8 3.662 8.138 7.997 54 HG11 VAL 8 HG11 VAL 8 4.919 6.029 8.336 55 HG12 VAL 8 HG12 VAL 8 4.158 5.834 9.919 56 HG13 VAL 8 HG13 VAL 8 5.239 7.196 9.623 57 HG21 VAL 8 HG21 VAL 8 1.825 5.808 8.685 58 HG22 VAL 8 HG22 VAL 8 2.660 6.058 7.149 59 HG23 VAL 8 HG23 VAL 8 1.410 7.189 7.666 60 H CYS 9 HN CYS 9 3.296 10.451 8.940 61 HA CYS 9 HA CYS 9 5.885 10.706 10.300 62 HB2 CYS 9 HB2 CYS 9 4.580 12.311 8.079 63 HB3 CYS 9 HB1 CYS 9 6.177 12.643 8.729 64 H SER 10 HN SER 10 2.737 12.132 10.311 65 HA SER 10 HA SER 10 1.597 13.515 11.632 66 HB2 SER 10 HB2 SER 10 4.112 13.762 13.355 67 HB3 SER 10 HB1 SER 10 2.480 14.263 13.812 68 HG SER 10 HG SER 10 1.846 12.159 13.894 69 H ARG 11 HN ARG 11 3.517 14.314 9.405 70 HA ARG 11 HA ARG 11 3.623 17.243 9.854 71 HB2 ARG 11 HB2 ARG 11 5.115 15.572 7.789 72 HB3 ARG 11 HB1 ARG 11 5.294 17.309 8.036 73 HG2 ARG 11 HG2 ARG 11 6.235 16.846 10.301 74 HG3 ARG 11 HG1 ARG 11 6.102 15.113 9.980 75 HD2 ARG 11 HD2 ARG 11 7.611 15.385 8.018 76 HD3 ARG 11 HD1 ARG 11 7.784 17.103 8.411 77 HE ARG 11 HE ARG 11 8.489 15.397 10.608 78 HH11 ARG 11 HH11 ARG 11 9.726 16.875 7.670 79 HH12 ARG 11 HH12 ARG 11 11.384 16.583 8.086 80 HH21 ARG 11 HH21 ARG 11 10.668 15.026 11.124 81 HH22 ARG 11 HH22 ARG 11 11.914 15.554 10.040 82 H THR 12 HN THR 12 3.535 18.331 7.492 83 HA THR 12 HA THR 12 1.177 17.295 6.032 84 HB THR 12 HB THR 12 0.383 19.058 7.629 85 HG1 THR 12 HG1 THR 12 -0.938 19.226 5.961 86 HG21 THR 12 HG21 THR 12 2.218 20.926 6.079 87 HG22 THR 12 HG22 THR 12 2.442 20.445 7.762 88 HG23 THR 12 HG23 THR 12 1.048 21.426 7.304 89 H PHE 13 HN PHE 13 1.095 17.904 3.836 90 HA PHE 13 HA PHE 13 3.490 19.220 2.681 91 HB2 PHE 13 HB2 PHE 13 2.787 16.788 1.925 92 HB3 PHE 13 HB1 PHE 13 1.494 17.585 1.054 93 HD1 PHE 13 HD1 PHE 13 2.099 19.253 -0.798 94 HD2 PHE 13 HD2 PHE 13 5.035 16.762 1.061 95 HE1 PHE 13 HE1 PHE 13 3.626 19.624 -2.692 96 HE2 PHE 13 HE2 PHE 13 6.548 17.138 -0.840 97 HZ PHE 13 HZ PHE 13 5.842 18.562 -2.723 98 H PHE 14 HN PHE 14 3.151 20.983 1.334 99 HA PHE 14 HA PHE 14 0.991 22.652 1.966 100 HB2 PHE 14 HB2 PHE 14 3.062 23.005 -0.236 101 HB3 PHE 14 HB1 PHE 14 2.064 24.282 0.462 102 HD1 PHE 14 HD2 PHE 14 2.489 25.078 2.798 103 HD2 PHE 14 HD1 PHE 14 5.002 22.128 0.981 104 HE1 PHE 14 HE2 PHE 14 4.189 25.435 4.544 105 HE2 PHE 14 HE1 PHE 14 6.681 22.478 2.744 106 HZ PHE 14 HZ PHE 14 6.278 24.134 4.523 107 H SER 15 HN SER 15 1.051 20.217 -0.430 108 HA SER 15 HA SER 15 -1.524 21.208 -1.467 109 HB2 SER 15 HB2 SER 15 -1.000 20.042 -3.617 110 HB3 SER 15 HB1 SER 15 0.165 21.323 -3.275 111 HG SER 15 HG SER 15 1.132 19.335 -3.965 112 H GLU 16 HN GLU 16 -3.200 19.697 -1.525 113 HA GLU 16 HA GLU 16 -3.249 17.325 -0.063 114 HB2 GLU 16 HB2 GLU 16 -4.895 18.154 -2.489 115 HB3 GLU 16 HB1 GLU 16 -5.205 16.662 -1.612 116 HG2 GLU 16 HG2 GLU 16 -5.376 19.446 -0.443 117 HG3 GLU 16 HG1 GLU 16 -6.744 18.492 -1.008 118 H ASN 17 HN ASN 17 -2.733 17.773 -3.569 119 HA ASN 17 HA ASN 17 -2.568 15.061 -4.279 120 HB2 ASN 17 HB2 ASN 17 -3.048 16.934 -5.855 121 HB3 ASN 17 HB1 ASN 17 -1.382 17.479 -5.711 122 HD21 ASN 17 HD21 ASN 17 0.224 16.387 -6.848 123 HD22 ASN 17 HD22 ASN 17 -0.115 15.168 -8.019 124 H GLY 18 HN GLY 18 -0.155 17.271 -3.035 125 HA2 GLY 18 HA2 GLY 18 2.183 15.756 -3.764 126 HA3 GLY 18 HA1 GLY 18 2.109 17.113 -2.655 127 H LEU 19 HN LEU 19 0.355 16.238 -0.710 128 HA LEU 19 HA LEU 19 1.828 14.467 0.892 129 HB2 LEU 19 HB2 LEU 19 0.065 16.237 1.557 130 HB3 LEU 19 HB1 LEU 19 -1.148 15.034 1.190 131 HG LEU 19 HG LEU 19 -0.585 15.302 3.637 132 HD11 LEU 19 HD11 LEU 19 -0.623 12.951 4.240 133 HD12 LEU 19 HD12 LEU 19 -0.136 12.495 2.607 134 HD13 LEU 19 HD13 LEU 19 -1.702 13.261 2.882 135 HD21 LEU 19 HD21 LEU 19 1.464 14.356 4.548 136 HD22 LEU 19 HD22 LEU 19 1.829 15.662 3.421 137 HD23 LEU 19 HD23 LEU 19 2.041 13.982 2.921 138 H ARG 20 HN ARG 20 -1.212 13.944 -0.868 139 HA ARG 20 HA ARG 20 -1.637 11.252 -0.431 140 HB2 ARG 20 HB2 ARG 20 -2.299 12.839 -2.919 141 HB3 ARG 20 HB1 ARG 20 -2.976 11.258 -2.510 142 HG2 ARG 20 HG2 ARG 20 -3.930 12.247 -0.413 143 HG3 ARG 20 HG1 ARG 20 -3.317 13.825 -0.912 144 HD2 ARG 20 HD2 ARG 20 -4.683 13.512 -3.048 145 HD3 ARG 20 HD1 ARG 20 -5.449 12.152 -2.226 146 HE ARG 20 HE ARG 20 -5.606 14.430 -0.569 147 HH11 ARG 20 HH11 ARG 20 -7.071 13.202 -3.528 148 HH12 ARG 20 HH12 ARG 20 -8.469 14.221 -3.388 149 HH21 ARG 20 HH21 ARG 20 -7.439 15.753 -0.416 150 HH22 ARG 20 HH22 ARG 20 -8.676 15.660 -1.637 151 H GLU 21 HN GLU 21 0.476 12.760 -2.805 152 HA GLU 21 HA GLU 21 1.344 10.433 -4.193 153 HB2 GLU 21 HB2 GLU 21 1.558 12.768 -5.057 154 HB3 GLU 21 HB1 GLU 21 2.749 13.110 -3.814 155 HG2 GLU 21 HG2 GLU 21 3.850 12.765 -5.939 156 HG3 GLU 21 HG1 GLU 21 4.284 11.463 -4.830 157 H HIS 22 HN HIS 22 2.551 12.212 -1.389 158 HA HIS 22 HA HIS 22 4.957 10.795 -0.934 159 HB2 HIS 22 HB2 HIS 22 4.849 12.967 0.003 160 HB3 HIS 22 HB1 HIS 22 3.243 12.715 0.668 161 HD1 HIS 22 HD1 HIS 22 6.876 11.899 1.394 162 HD2 HIS 22 HD2 HIS 22 3.148 11.745 3.215 163 HE1 HIS 22 HE1 HIS 22 7.279 11.266 3.806 164 H LEU 23 HN LEU 23 1.683 10.404 0.347 165 HA LEU 23 HA LEU 23 2.083 8.610 2.410 166 HB2 LEU 23 HB2 LEU 23 0.069 10.076 1.685 167 HB3 LEU 23 HB1 LEU 23 -0.384 8.740 0.652 168 HG LEU 23 HG LEU 23 -0.125 8.497 3.678 169 HD11 LEU 23 HD11 LEU 23 -2.648 9.018 2.070 170 HD12 LEU 23 HD12 LEU 23 -1.834 10.176 3.122 171 HD13 LEU 23 HD13 LEU 23 -2.558 8.726 3.813 172 HD21 LEU 23 HD21 LEU 23 -0.033 6.333 2.530 173 HD22 LEU 23 HD22 LEU 23 -1.527 6.701 1.667 174 HD23 LEU 23 HD23 LEU 23 -1.543 6.493 3.423 175 H GLN 24 HN GLN 24 1.803 8.102 -1.036 176 HA GLN 24 HA GLN 24 1.262 5.369 -1.210 177 HB2 GLN 24 HB2 GLN 24 2.785 7.184 -3.126 178 HB3 GLN 24 HB1 GLN 24 2.199 5.573 -3.531 179 HG2 GLN 24 HG2 GLN 24 -0.100 6.254 -3.244 180 HG3 GLN 24 HG1 GLN 24 0.391 7.825 -2.625 181 HE21 GLN 24 HE21 GLN 24 2.462 8.246 -4.641 182 HE22 GLN 24 HE22 GLN 24 1.631 8.584 -6.113 183 H THR 25 HN THR 25 4.186 6.847 -0.165 184 HA THR 25 HA THR 25 6.017 4.736 -0.969 185 HB THR 25 HB THR 25 7.714 5.993 0.290 186 HG1 THR 25 HG1 THR 25 6.346 8.191 0.979 187 HG21 THR 25 HG21 THR 25 7.660 8.130 -0.950 188 HG22 THR 25 HG22 THR 25 5.961 7.854 -1.346 189 HG23 THR 25 HG23 THR 25 7.205 6.778 -1.991 190 H HIS 26 HN HIS 26 4.017 5.557 1.760 191 HA HIS 26 HA HIS 26 5.174 3.639 3.618 192 HB2 HIS 26 HB2 HIS 26 2.548 5.187 3.786 193 HB3 HIS 26 HB1 HIS 26 3.253 4.226 5.091 194 HD1 HIS 26 HD1 HIS 26 5.619 5.162 6.033 195 HD2 HIS 26 HD2 HIS 26 3.398 7.774 3.682 196 HE1 HIS 26 HE1 HIS 26 6.512 7.481 6.495 197 H ARG 27 HN ARG 27 3.169 3.479 0.937 198 HA ARG 27 HA ARG 27 1.786 1.001 1.749 199 HB2 ARG 27 HB2 ARG 27 1.502 2.715 -0.769 200 HB3 ARG 27 HB1 ARG 27 0.541 1.286 -0.390 201 HG2 ARG 27 HG2 ARG 27 0.508 3.960 1.056 202 HG3 ARG 27 HG1 ARG 27 -0.787 3.245 0.089 203 HD2 ARG 27 HD2 ARG 27 0.257 2.242 2.769 204 HD3 ARG 27 HD1 ARG 27 -1.307 3.009 2.468 205 HE ARG 27 HE ARG 27 -1.165 0.746 0.834 206 HH11 ARG 27 HH11 ARG 27 -1.256 1.415 4.275 207 HH12 ARG 27 HH12 ARG 27 -1.974 -0.109 4.673 208 HH21 ARG 27 HH21 ARG 27 -2.069 -1.276 1.385 209 HH22 ARG 27 HH22 ARG 27 -2.416 -1.633 3.049 210 H GLY 28 HN GLY 28 4.761 1.661 0.942 211 HA2 GLY 28 HA2 GLY 28 6.487 0.423 0.075 212 HA3 GLY 28 HA1 GLY 28 5.332 -0.795 -0.455 213 HA PRO 29 HA PRO 29 6.616 1.358 -4.379 214 HB2 PRO 29 HB2 PRO 29 7.116 -0.954 -5.797 215 HB3 PRO 29 HB1 PRO 29 8.352 -0.122 -4.845 216 HG2 PRO 29 HG2 PRO 29 6.711 -2.539 -4.130 217 HG3 PRO 29 HG1 PRO 29 8.436 -2.226 -3.843 218 HD2 PRO 29 HD2 PRO 29 6.528 -1.927 -1.898 219 HD3 PRO 29 HD1 PRO 29 8.018 -0.960 -1.936 220 H ALA 30 HN ALA 30 4.930 1.869 -5.714 221 HA ALA 30 HA ALA 30 2.412 0.421 -5.426 222 HB1 ALA 30 HB1 ALA 30 2.988 3.044 -6.843 223 HB2 ALA 30 HB2 ALA 30 2.436 2.868 -5.177 224 HB3 ALA 30 HB3 ALA 30 1.392 2.368 -6.508 225 H LYS 31 HN LYS 31 3.805 -1.315 -6.617 226 HA LYS 31 HA LYS 31 2.704 -1.680 -9.228 227 HB2 LYS 31 HB2 LYS 31 4.731 -1.861 -10.520 228 HB3 LYS 31 HB1 LYS 31 4.770 -0.293 -9.724 229 HG2 LYS 31 HG2 LYS 31 6.375 -1.157 -8.056 230 HG3 LYS 31 HG1 LYS 31 6.299 -2.758 -8.804 231 HD2 LYS 31 HD2 LYS 31 7.145 -1.696 -10.953 232 HD3 LYS 31 HD1 LYS 31 7.412 -0.206 -10.042 233 HE2 LYS 31 HE2 LYS 31 8.731 -2.893 -9.506 234 HE3 LYS 31 HE1 LYS 31 9.493 -1.494 -10.262 235 HZ1 LYS 31 HZ1 LYS 31 8.478 -1.623 -7.477 236 HZ2 LYS 31 HZ2 LYS 31 9.201 -0.274 -8.199 237 HZ3 LYS 31 HZ3 LYS 31 10.095 -1.683 -7.953 238 H HIS 32 HN HIS 32 3.438 -3.842 -10.110 239 HA HIS 32 HA HIS 32 4.483 -5.761 -8.161 240 HB2 HIS 32 HB2 HIS 32 1.751 -6.027 -9.523 241 HB3 HIS 32 HB1 HIS 32 2.595 -7.388 -8.794 242 HD1 HIS 32 HD1 HIS 32 0.318 -4.626 -7.980 243 HD2 HIS 32 HD2 HIS 32 2.907 -7.124 -5.898 244 HE1 HIS 32 HE1 HIS 32 -0.328 -4.413 -5.572 245 HE2 HIS 32 HE2 HIS 32 1.304 -5.855 -4.324 246 H TYR 33 HN TYR 33 5.792 -4.593 -10.264 247 HA TYR 33 HA TYR 33 6.334 -6.913 -11.927 248 HB2 TYR 33 HB2 TYR 33 6.627 -5.348 -13.985 249 HB3 TYR 33 HB1 TYR 33 5.011 -5.895 -13.571 250 HD1 TYR 33 HD1 TYR 33 7.300 -2.908 -13.328 251 HD2 TYR 33 HD2 TYR 33 3.265 -4.305 -13.168 252 HE1 TYR 33 HE1 TYR 33 6.495 -0.593 -13.345 253 HE2 TYR 33 HE2 TYR 33 2.467 -1.979 -13.188 254 HH TYR 33 HH TYR 33 4.470 0.648 -13.963 255 H MET 34 HN MET 34 7.987 -7.107 -10.567 256 HA MET 34 HA MET 34 10.336 -5.368 -10.958 257 HB2 MET 34 HB2 MET 34 9.436 -4.959 -8.688 258 HB3 MET 34 HB1 MET 34 9.395 -6.684 -8.363 259 HG2 MET 34 HG2 MET 34 11.893 -6.732 -8.559 260 HG3 MET 34 HG1 MET 34 11.868 -4.976 -8.735 261 HE1 MET 34 HE1 MET 34 10.579 -7.225 -4.894 262 HE2 MET 34 HE2 MET 34 11.183 -8.025 -6.350 263 HE3 MET 34 HE3 MET 34 9.599 -7.250 -6.357 264 H CYS 35 HN CYS 35 11.935 -6.586 -11.874 265 HA CYS 35 HA CYS 35 11.568 -9.410 -12.233 266 HB2 CYS 35 HB2 CYS 35 12.604 -7.944 -13.954 267 HB3 CYS 35 HB1 CYS 35 13.955 -7.671 -12.896 268 HA PRO 36 HA PRO 36 13.503 -10.505 -8.268 269 HB2 PRO 36 HB2 PRO 36 13.846 -13.173 -9.631 270 HB3 PRO 36 HB1 PRO 36 13.143 -12.797 -8.048 271 HG2 PRO 36 HG2 PRO 36 11.551 -13.398 -10.098 272 HG3 PRO 36 HG1 PRO 36 11.107 -12.084 -8.983 273 HD2 PRO 36 HD2 PRO 36 12.319 -11.906 -11.745 274 HD3 PRO 36 HD1 PRO 36 11.011 -10.934 -11.024 275 H ILE 37 HN ILE 37 15.132 -11.470 -11.343 276 HA ILE 37 HA ILE 37 17.716 -11.689 -10.092 277 HB ILE 37 HB ILE 37 16.842 -11.695 -13.015 278 HG12 ILE 37 HG12 ILE 37 17.575 -14.029 -11.178 279 HG13 ILE 37 HG11 ILE 37 15.937 -13.593 -11.656 280 HG21 ILE 37 HG21 ILE 37 19.198 -11.047 -12.886 281 HG22 ILE 37 HG22 ILE 37 19.057 -12.678 -13.539 282 HG23 ILE 37 HG23 ILE 37 19.554 -12.435 -11.864 283 HD11 ILE 37 HD11 ILE 37 18.134 -14.554 -13.490 284 HD12 ILE 37 HD12 ILE 37 16.496 -14.119 -13.990 285 HD13 ILE 37 HD13 ILE 37 16.757 -15.493 -12.917 286 H CYS 38 HN CYS 38 16.401 -9.410 -12.601 287 HA CYS 38 HA CYS 38 18.689 -7.622 -12.035 288 HB2 CYS 38 HB2 CYS 38 18.924 -7.224 -14.338 289 HB3 CYS 38 HB1 CYS 38 18.669 -8.944 -14.204 290 H GLY 39 HN GLY 39 15.352 -7.621 -11.712 291 HA2 GLY 39 HA2 GLY 39 13.944 -6.063 -10.950 292 HA3 GLY 39 HA1 GLY 39 15.355 -5.071 -10.608 293 H GLU 40 HN GLU 40 14.749 -5.909 -13.922 294 HA GLU 40 HA GLU 40 14.167 -3.325 -14.789 295 HB2 GLU 40 HB2 GLU 40 13.713 -6.014 -16.116 296 HB3 GLU 40 HB1 GLU 40 13.412 -4.487 -16.934 297 HG2 GLU 40 HG2 GLU 40 15.831 -3.857 -16.468 298 HG3 GLU 40 HG1 GLU 40 16.070 -5.511 -15.896 299 H ARG 41 HN ARG 41 12.380 -2.169 -15.088 300 HA ARG 41 HA ARG 41 9.792 -3.102 -14.040 301 HB2 ARG 41 HB2 ARG 41 10.829 -0.338 -14.829 302 HB3 ARG 41 HB1 ARG 41 9.215 -0.646 -14.191 303 HG2 ARG 41 HG2 ARG 41 10.098 -1.301 -12.048 304 HG3 ARG 41 HG1 ARG 41 11.752 -1.304 -12.665 305 HD2 ARG 41 HD2 ARG 41 11.262 0.698 -11.287 306 HD3 ARG 41 HD1 ARG 41 11.700 1.116 -12.943 307 HE ARG 41 HE ARG 41 9.053 1.124 -13.147 308 HH11 ARG 41 HH11 ARG 41 11.024 2.514 -10.591 309 HH12 ARG 41 HH12 ARG 41 9.933 3.834 -10.312 310 HH21 ARG 41 HH21 ARG 41 7.656 2.868 -12.783 311 HH22 ARG 41 HH22 ARG 41 8.028 4.033 -11.555 312 H PHE 42 HN PHE 42 7.988 -3.295 -15.313 313 HA PHE 42 HA PHE 42 8.228 -2.795 -18.235 314 HB2 PHE 42 HB2 PHE 42 7.103 -5.209 -16.742 315 HB3 PHE 42 HB1 PHE 42 6.816 -4.925 -18.459 316 HD1 PHE 42 HD1 PHE 42 9.338 -5.839 -15.944 317 HD2 PHE 42 HD2 PHE 42 8.637 -5.099 -20.088 318 HE1 PHE 42 HE1 PHE 42 11.521 -6.822 -16.494 319 HE2 PHE 42 HE2 PHE 42 10.815 -6.087 -20.626 320 HZ PHE 42 HZ PHE 42 12.257 -6.947 -18.833 321 HA PRO 43 HA PRO 43 4.404 -0.529 -18.117 322 HB2 PRO 43 HB2 PRO 43 3.067 -1.363 -20.394 323 HB3 PRO 43 HB1 PRO 43 4.462 -0.275 -20.430 324 HG2 PRO 43 HG2 PRO 43 4.389 -3.272 -20.817 325 HG3 PRO 43 HG1 PRO 43 5.208 -2.043 -21.811 326 HD2 PRO 43 HD2 PRO 43 6.585 -3.467 -20.005 327 HD3 PRO 43 HD1 PRO 43 6.930 -1.734 -20.221 328 H SER 44 HN SER 44 4.333 -3.968 -18.000 329 HA SER 44 HA SER 44 1.822 -3.995 -16.516 330 HB2 SER 44 HB2 SER 44 0.951 -5.905 -17.953 331 HB3 SER 44 HB1 SER 44 0.999 -4.353 -18.776 332 HG SER 44 HG SER 44 2.044 -5.477 -20.226 333 H LEU 45 HN LEU 45 1.379 -6.202 -15.658 334 HA LEU 45 HA LEU 45 3.809 -7.787 -15.098 335 HB2 LEU 45 HB2 LEU 45 2.365 -7.171 -13.173 336 HB3 LEU 45 HB1 LEU 45 0.991 -7.963 -13.925 337 HG LEU 45 HG LEU 45 2.043 -10.174 -13.653 338 HD11 LEU 45 HD11 LEU 45 4.179 -10.464 -12.478 339 HD12 LEU 45 HD12 LEU 45 4.406 -8.715 -12.419 340 HD13 LEU 45 HD13 LEU 45 4.393 -9.558 -13.973 341 HD21 LEU 45 HD21 LEU 45 2.008 -10.365 -11.213 342 HD22 LEU 45 HD22 LEU 45 0.707 -9.308 -11.754 343 HD23 LEU 45 HD23 LEU 45 2.167 -8.613 -11.044 344 H LEU 46 HN LEU 46 3.393 -7.890 -17.599 345 HA LEU 46 HA LEU 46 2.308 -10.553 -18.237 346 HB2 LEU 46 HB2 LEU 46 1.865 -8.044 -19.930 347 HB3 LEU 46 HB1 LEU 46 1.468 -9.680 -20.437 348 HG LEU 46 HG LEU 46 0.131 -8.235 -18.100 349 HD11 LEU 46 HD11 LEU 46 -0.920 -8.684 -20.912 350 HD12 LEU 46 HD12 LEU 46 -0.447 -7.133 -20.215 351 HD13 LEU 46 HD13 LEU 46 -1.835 -8.002 -19.564 352 HD21 LEU 46 HD21 LEU 46 -1.513 -10.070 -18.185 353 HD22 LEU 46 HD22 LEU 46 0.103 -10.684 -17.842 354 HD23 LEU 46 HD23 LEU 46 -0.583 -10.862 -19.460 355 H THR 47 HN THR 47 3.920 -7.716 -19.617 356 HA THR 47 HA THR 47 5.933 -8.964 -21.114 357 HB THR 47 HB THR 47 7.165 -6.619 -20.571 358 HG1 THR 47 HG1 THR 47 4.511 -5.824 -20.036 359 HG21 THR 47 HG21 THR 47 5.854 -5.495 -22.316 360 HG22 THR 47 HG22 THR 47 4.589 -6.715 -22.178 361 HG23 THR 47 HG23 THR 47 6.185 -7.170 -22.775 362 H LEU 48 HN LEU 48 5.879 -8.066 -17.678 363 HA LEU 48 HA LEU 48 8.583 -8.677 -17.079 364 HB2 LEU 48 HB2 LEU 48 7.091 -7.246 -15.686 365 HB3 LEU 48 HB1 LEU 48 6.132 -8.646 -15.266 366 HG LEU 48 HG LEU 48 7.794 -7.708 -13.492 367 HD11 LEU 48 HD11 LEU 48 6.658 -9.834 -13.158 368 HD12 LEU 48 HD12 LEU 48 8.303 -9.893 -12.532 369 HD13 LEU 48 HD13 LEU 48 7.913 -10.675 -14.069 370 HD21 LEU 48 HD21 LEU 48 9.830 -9.208 -15.168 371 HD22 LEU 48 HD22 LEU 48 10.102 -8.519 -13.564 372 HD23 LEU 48 HD23 LEU 48 9.764 -7.460 -14.926 373 H THR 49 HN THR 49 5.649 -10.647 -17.176 374 HA THR 49 HA THR 49 6.660 -12.988 -15.925 375 HB THR 49 HB THR 49 4.415 -12.859 -17.993 376 HG1 THR 49 HG1 THR 49 3.083 -12.585 -16.036 377 HG21 THR 49 HG21 THR 49 3.495 -14.791 -16.752 378 HG22 THR 49 HG22 THR 49 4.874 -14.762 -15.655 379 HG23 THR 49 HG23 THR 49 5.117 -15.155 -17.358 380 H GLU 50 HN GLU 50 6.238 -12.049 -19.293 381 HA GLU 50 HA GLU 50 7.319 -14.269 -20.624 382 HB2 GLU 50 HB2 GLU 50 7.256 -11.337 -21.447 383 HB3 GLU 50 HB1 GLU 50 7.623 -12.671 -22.544 384 HG2 GLU 50 HG2 GLU 50 5.397 -13.589 -22.290 385 HG3 GLU 50 HG1 GLU 50 5.020 -12.441 -21.005 386 H HIS 51 HN HIS 51 8.888 -11.255 -19.588 387 HA HIS 51 HA HIS 51 11.496 -11.766 -20.545 388 HB2 HIS 51 HB2 HIS 51 10.911 -9.509 -20.049 389 HB3 HIS 51 HB1 HIS 51 10.331 -9.916 -18.439 390 HD1 HIS 51 HD1 HIS 51 13.584 -9.453 -20.341 391 HD2 HIS 51 HD2 HIS 51 12.168 -9.717 -16.447 392 HE1 HIS 51 HE1 HIS 51 15.514 -8.835 -18.836 393 H LYS 52 HN LYS 52 9.885 -12.613 -17.531 394 HA LYS 52 HA LYS 52 12.113 -13.127 -15.888 395 HB2 LYS 52 HB2 LYS 52 9.626 -12.784 -15.246 396 HB3 LYS 52 HB1 LYS 52 9.389 -14.485 -15.617 397 HG2 LYS 52 HG2 LYS 52 11.384 -13.502 -13.539 398 HG3 LYS 52 HG1 LYS 52 9.699 -13.831 -13.145 399 HD2 LYS 52 HD2 LYS 52 11.676 -15.883 -14.243 400 HD3 LYS 52 HD1 LYS 52 11.219 -15.724 -12.543 401 HE2 LYS 52 HE2 LYS 52 9.282 -16.384 -14.800 402 HE3 LYS 52 HE1 LYS 52 10.024 -17.574 -13.733 403 HZ1 LYS 52 HZ1 LYS 52 8.317 -15.347 -12.803 404 HZ2 LYS 52 HZ2 LYS 52 8.918 -16.629 -11.876 405 HZ3 LYS 52 HZ3 LYS 52 7.775 -16.920 -13.086 406 H VAL 53 HN VAL 53 10.164 -15.338 -17.935 407 HA VAL 53 HA VAL 53 11.622 -17.676 -17.065 408 HB VAL 53 HB VAL 53 10.151 -18.890 -18.691 409 HG11 VAL 53 HG11 VAL 53 8.689 -17.034 -16.775 410 HG12 VAL 53 HG12 VAL 53 9.410 -18.592 -16.369 411 HG13 VAL 53 HG13 VAL 53 8.027 -18.522 -17.460 412 HG21 VAL 53 HG21 VAL 53 8.922 -16.151 -19.222 413 HG22 VAL 53 HG22 VAL 53 8.282 -17.692 -19.798 414 HG23 VAL 53 HG23 VAL 53 9.839 -17.117 -20.387 415 H THR 54 HN THR 54 11.543 -15.676 -19.997 416 HA THR 54 HA THR 54 13.463 -17.373 -21.422 417 HB THR 54 HB THR 54 13.089 -15.825 -23.337 418 HG1 THR 54 HG1 THR 54 11.005 -14.445 -22.222 419 HG21 THR 54 HG21 THR 54 11.481 -17.702 -23.047 420 HG22 THR 54 HG22 THR 54 10.701 -16.283 -23.747 421 HG23 THR 54 HG23 THR 54 10.465 -16.666 -22.041 422 H HIS 55 HN HIS 55 14.727 -16.372 -19.154 423 HA HIS 55 HA HIS 55 15.373 -13.581 -19.316 424 HB2 HIS 55 HB2 HIS 55 15.062 -15.116 -17.173 425 HB3 HIS 55 HB1 HIS 55 16.770 -15.481 -17.400 426 HD1 HIS 55 HD1 HIS 55 18.444 -13.371 -17.113 427 HD2 HIS 55 HD2 HIS 55 14.464 -12.693 -16.197 428 HE1 HIS 55 HE1 HIS 55 18.350 -11.118 -15.949 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -4.707 26.617 -0.565 2 H2 MET 1 HT2 MET 1 -4.720 24.985 -0.981 3 H3 MET 1 HT3 MET 1 -3.515 25.994 -1.598 4 HA MET 1 HA MET 1 -2.613 24.657 0.129 5 HB2 MET 1 HB2 MET 1 -1.784 26.990 -0.114 6 HB3 MET 1 HB1 MET 1 -2.989 27.547 1.036 7 HG2 MET 1 HG2 MET 1 -1.917 26.109 2.777 8 HG3 MET 1 HG1 MET 1 -0.654 25.707 1.609 9 HE1 MET 1 HE1 MET 1 1.096 28.191 4.178 10 HE2 MET 1 HE2 MET 1 1.119 26.560 3.514 11 HE3 MET 1 HE3 MET 1 -0.193 27.052 4.583 12 H GLY 2 HN GLY 2 -3.878 23.166 1.094 13 HA2 GLY 2 HA2 GLY 2 -4.843 23.749 3.787 14 HA3 GLY 2 HA1 GLY 2 -6.033 23.082 2.657 15 H SER 3 HN SER 3 -3.157 22.398 4.515 16 HA SER 3 HA SER 3 -2.433 20.067 2.947 17 HB2 SER 3 HB2 SER 3 -1.054 21.361 5.342 18 HB3 SER 3 HB1 SER 3 -0.377 20.124 4.279 19 HG SER 3 HG SER 3 -1.267 22.646 3.351 20 H HIS 4 HN HIS 4 -4.245 18.834 3.597 21 HA HIS 4 HA HIS 4 -4.637 17.334 5.816 22 HB2 HIS 4 HB2 HIS 4 -5.615 16.680 3.651 23 HB3 HIS 4 HB1 HIS 4 -4.043 16.154 3.069 24 HD1 HIS 4 HD1 HIS 4 -3.744 13.676 3.180 25 HD2 HIS 4 HD2 HIS 4 -6.380 15.035 6.095 26 HE1 HIS 4 HE1 HIS 4 -4.517 11.628 4.411 27 HE2 HIS 4 HE2 HIS 4 -6.080 12.481 6.186 28 H LYS 5 HN LYS 5 -3.464 16.046 7.183 29 HA LYS 5 HA LYS 5 -0.566 16.272 6.993 30 HB2 LYS 5 HB2 LYS 5 -1.858 16.968 9.046 31 HB3 LYS 5 HB1 LYS 5 -2.272 15.279 9.320 32 HG2 LYS 5 HG2 LYS 5 0.281 14.846 9.440 33 HG3 LYS 5 HG1 LYS 5 0.465 16.600 9.494 34 HD2 LYS 5 HD2 LYS 5 0.501 15.753 11.784 35 HD3 LYS 5 HD1 LYS 5 -0.998 16.656 11.544 36 HE2 LYS 5 HE2 LYS 5 -2.189 14.498 11.169 37 HE3 LYS 5 HE1 LYS 5 -0.684 13.636 11.506 38 HZ1 LYS 5 HZ1 LYS 5 -2.090 13.692 13.442 39 HZ2 LYS 5 HZ2 LYS 5 -2.170 15.381 13.393 40 HZ3 LYS 5 HZ3 LYS 5 -0.706 14.615 13.728 41 H CYS 6 HN CYS 6 0.862 14.539 7.344 42 HA CYS 6 HA CYS 6 -0.080 11.823 6.735 43 HB2 CYS 6 HB2 CYS 6 1.903 12.743 5.489 44 HB3 CYS 6 HB1 CYS 6 2.758 12.926 7.005 45 H ASN 7 HN ASN 7 -0.812 10.850 8.631 46 HA ASN 7 HA ASN 7 -0.154 11.403 11.263 47 HB2 ASN 7 HB2 ASN 7 -2.091 10.021 10.596 48 HB3 ASN 7 HB1 ASN 7 -1.017 8.735 10.063 49 HD21 ASN 7 HD21 ASN 7 -2.393 10.331 12.862 50 HD22 ASN 7 HD22 ASN 7 -1.923 9.130 14.011 51 H VAL 8 HN VAL 8 1.376 8.958 9.155 52 HA VAL 8 HA VAL 8 2.985 7.660 11.035 53 HB VAL 8 HB VAL 8 3.574 8.050 8.063 54 HG11 VAL 8 HG11 VAL 8 4.591 5.910 9.974 55 HG12 VAL 8 HG12 VAL 8 5.556 7.187 9.228 56 HG13 VAL 8 HG13 VAL 8 4.841 5.922 8.225 57 HG21 VAL 8 HG21 VAL 8 1.340 7.119 8.435 58 HG22 VAL 8 HG22 VAL 8 2.016 5.832 9.440 59 HG23 VAL 8 HG23 VAL 8 2.413 5.919 7.717 60 H CYS 9 HN CYS 9 4.081 10.105 8.664 61 HA CYS 9 HA CYS 9 6.639 10.570 9.802 62 HB2 CYS 9 HB2 CYS 9 4.926 12.335 8.019 63 HB3 CYS 9 HB1 CYS 9 6.596 12.694 8.427 64 H SER 10 HN SER 10 3.536 11.925 10.431 65 HA SER 10 HA SER 10 2.581 13.348 11.883 66 HB2 SER 10 HB2 SER 10 3.661 14.283 13.796 67 HB3 SER 10 HB1 SER 10 4.441 12.723 13.558 68 HG SER 10 HG SER 10 6.266 13.703 13.056 69 H ARG 11 HN ARG 11 4.847 14.077 9.584 70 HA ARG 11 HA ARG 11 4.534 16.976 9.562 71 HB2 ARG 11 HB2 ARG 11 6.124 15.165 7.693 72 HB3 ARG 11 HB1 ARG 11 6.245 16.918 7.785 73 HG2 ARG 11 HG2 ARG 11 7.039 14.956 9.974 74 HG3 ARG 11 HG1 ARG 11 8.144 15.846 8.921 75 HD2 ARG 11 HD2 ARG 11 7.532 17.953 9.919 76 HD3 ARG 11 HD1 ARG 11 6.182 17.222 10.796 77 HE ARG 11 HE ARG 11 8.738 16.078 11.483 78 HH11 ARG 11 HH11 ARG 11 6.556 18.741 12.205 79 HH12 ARG 11 HH12 ARG 11 7.174 18.967 13.813 80 HH21 ARG 11 HH21 ARG 11 9.510 16.389 13.618 81 HH22 ARG 11 HH22 ARG 11 8.827 17.643 14.603 82 H THR 12 HN THR 12 4.446 17.658 6.964 83 HA THR 12 HA THR 12 2.267 16.298 5.584 84 HB THR 12 HB THR 12 1.043 17.694 7.224 85 HG1 THR 12 HG1 THR 12 -0.406 18.192 5.742 86 HG21 THR 12 HG21 THR 12 1.056 20.167 7.072 87 HG22 THR 12 HG22 THR 12 2.355 20.089 5.883 88 HG23 THR 12 HG23 THR 12 2.643 19.550 7.539 89 H PHE 13 HN PHE 13 1.780 17.272 3.483 90 HA PHE 13 HA PHE 13 4.202 18.342 2.192 91 HB2 PHE 13 HB2 PHE 13 2.727 16.248 1.405 92 HB3 PHE 13 HB1 PHE 13 1.695 17.471 0.697 93 HD1 PHE 13 HD1 PHE 13 2.735 19.069 -1.042 94 HD2 PHE 13 HD2 PHE 13 4.707 15.526 0.286 95 HE1 PHE 13 HE1 PHE 13 4.136 19.102 -3.057 96 HE2 PHE 13 HE2 PHE 13 6.110 15.565 -1.726 97 HZ PHE 13 HZ PHE 13 5.834 17.349 -3.407 98 H PHE 14 HN PHE 14 4.041 20.219 0.778 99 HA PHE 14 HA PHE 14 2.463 22.351 1.853 100 HB2 PHE 14 HB2 PHE 14 4.143 22.310 -0.695 101 HB3 PHE 14 HB1 PHE 14 3.587 23.749 0.155 102 HD1 PHE 14 HD2 PHE 14 4.536 24.310 2.426 103 HD2 PHE 14 HD1 PHE 14 6.104 21.104 0.068 104 HE1 PHE 14 HE2 PHE 14 6.577 24.287 3.794 105 HE2 PHE 14 HE1 PHE 14 8.133 21.085 1.454 106 HZ PHE 14 HZ PHE 14 8.371 22.679 3.314 107 H SER 15 HN SER 15 2.133 20.263 -0.876 108 HA SER 15 HA SER 15 -0.350 21.516 -1.816 109 HB2 SER 15 HB2 SER 15 1.203 20.940 -3.609 110 HB3 SER 15 HB1 SER 15 1.379 19.300 -2.991 111 HG SER 15 HG SER 15 -0.927 20.476 -4.156 112 H GLU 16 HN GLU 16 -2.246 20.263 -1.945 113 HA GLU 16 HA GLU 16 -2.685 18.400 0.230 114 HB2 GLU 16 HB2 GLU 16 -5.040 18.481 -0.359 115 HB3 GLU 16 HB1 GLU 16 -4.406 20.116 -0.318 116 HG2 GLU 16 HG2 GLU 16 -4.903 18.523 -2.855 117 HG3 GLU 16 HG1 GLU 16 -6.041 19.665 -2.160 118 H ASN 17 HN ASN 17 -2.388 18.351 -3.265 119 HA ASN 17 HA ASN 17 -3.202 15.592 -3.657 120 HB2 ASN 17 HB2 ASN 17 -1.719 17.480 -5.537 121 HB3 ASN 17 HB1 ASN 17 -2.453 15.943 -5.990 122 HD21 ASN 17 HD21 ASN 17 -2.966 18.645 -6.993 123 HD22 ASN 17 HD22 ASN 17 -4.642 18.954 -6.724 124 H GLY 18 HN GLY 18 -0.216 17.451 -3.620 125 HA2 GLY 18 HA2 GLY 18 1.752 15.596 -4.030 126 HA3 GLY 18 HA1 GLY 18 1.922 16.936 -2.913 127 H LEU 19 HN LEU 19 0.029 16.099 -0.961 128 HA LEU 19 HA LEU 19 1.491 14.221 0.587 129 HB2 LEU 19 HB2 LEU 19 -0.071 16.140 1.342 130 HB3 LEU 19 HB1 LEU 19 -1.391 15.048 1.087 131 HG LEU 19 HG LEU 19 -0.636 15.295 3.495 132 HD11 LEU 19 HD11 LEU 19 -0.533 12.451 2.489 133 HD12 LEU 19 HD12 LEU 19 -1.989 13.366 2.888 134 HD13 LEU 19 HD13 LEU 19 -0.829 12.966 4.156 135 HD21 LEU 19 HD21 LEU 19 1.811 13.751 2.610 136 HD22 LEU 19 HD22 LEU 19 1.367 14.130 4.277 137 HD23 LEU 19 HD23 LEU 19 1.769 15.429 3.159 138 H ARG 20 HN ARG 20 -1.432 13.973 -1.378 139 HA ARG 20 HA ARG 20 -2.210 11.324 -0.770 140 HB2 ARG 20 HB2 ARG 20 -2.642 12.920 -3.315 141 HB3 ARG 20 HB1 ARG 20 -3.373 11.344 -3.005 142 HG2 ARG 20 HG2 ARG 20 -4.319 12.402 -0.847 143 HG3 ARG 20 HG1 ARG 20 -3.866 13.952 -1.555 144 HD2 ARG 20 HD2 ARG 20 -5.652 11.938 -2.926 145 HD3 ARG 20 HD1 ARG 20 -6.265 13.228 -1.895 146 HE ARG 20 HE ARG 20 -4.874 14.665 -3.626 147 HH11 ARG 20 HH11 ARG 20 -6.972 11.938 -4.362 148 HH12 ARG 20 HH12 ARG 20 -7.551 12.631 -5.840 149 HH21 ARG 20 HH21 ARG 20 -5.670 15.555 -5.561 150 HH22 ARG 20 HH22 ARG 20 -6.828 14.678 -6.501 151 H GLU 21 HN GLU 21 0.029 12.526 -3.292 152 HA GLU 21 HA GLU 21 0.789 9.986 -4.294 153 HB2 GLU 21 HB2 GLU 21 1.165 12.098 -5.546 154 HB3 GLU 21 HB1 GLU 21 2.333 12.614 -4.331 155 HG2 GLU 21 HG2 GLU 21 3.779 10.659 -4.928 156 HG3 GLU 21 HG1 GLU 21 2.634 10.231 -6.199 157 H HIS 22 HN HIS 22 2.136 12.107 -1.821 158 HA HIS 22 HA HIS 22 4.403 10.656 -1.036 159 HB2 HIS 22 HB2 HIS 22 4.179 12.949 -0.348 160 HB3 HIS 22 HB1 HIS 22 2.647 12.646 0.449 161 HD1 HIS 22 HD1 HIS 22 6.368 12.257 0.983 162 HD2 HIS 22 HD2 HIS 22 2.796 11.701 3.019 163 HE1 HIS 22 HE1 HIS 22 6.985 11.768 3.386 164 H LEU 23 HN LEU 23 1.033 10.038 -0.384 165 HA LEU 23 HA LEU 23 1.280 8.665 2.104 166 HB2 LEU 23 HB2 LEU 23 -0.749 9.815 1.303 167 HB3 LEU 23 HB1 LEU 23 -0.921 8.654 0.004 168 HG LEU 23 HG LEU 23 -0.955 7.582 2.830 169 HD11 LEU 23 HD11 LEU 23 -2.405 9.561 2.998 170 HD12 LEU 23 HD12 LEU 23 -3.343 8.075 3.120 171 HD13 LEU 23 HD13 LEU 23 -3.348 8.999 1.612 172 HD21 LEU 23 HD21 LEU 23 -2.574 6.878 0.361 173 HD22 LEU 23 HD22 LEU 23 -2.606 6.021 1.906 174 HD23 LEU 23 HD23 LEU 23 -1.139 6.028 0.938 175 H GLN 24 HN GLN 24 1.979 7.742 -1.153 176 HA GLN 24 HA GLN 24 1.288 4.971 -1.027 177 HB2 GLN 24 HB2 GLN 24 2.989 6.556 -2.965 178 HB3 GLN 24 HB1 GLN 24 2.552 4.866 -3.190 179 HG2 GLN 24 HG2 GLN 24 0.570 7.151 -3.000 180 HG3 GLN 24 HG1 GLN 24 1.160 6.446 -4.483 181 HE21 GLN 24 HE21 GLN 24 -0.786 5.686 -5.249 182 HE22 GLN 24 HE22 GLN 24 -1.724 4.458 -4.481 183 H THR 25 HN THR 25 4.011 6.839 -0.066 184 HA THR 25 HA THR 25 6.030 4.809 -0.092 185 HB THR 25 HB THR 25 7.391 6.368 1.210 186 HG1 THR 25 HG1 THR 25 5.531 8.375 1.432 187 HG21 THR 25 HG21 THR 25 5.714 7.924 -0.787 188 HG22 THR 25 HG22 THR 25 7.108 6.918 -1.196 189 HG23 THR 25 HG23 THR 25 7.317 8.372 -0.215 190 H HIS 26 HN HIS 26 3.285 5.039 1.837 191 HA HIS 26 HA HIS 26 4.542 3.730 4.192 192 HB2 HIS 26 HB2 HIS 26 2.131 5.589 4.183 193 HB3 HIS 26 HB1 HIS 26 2.810 4.793 5.601 194 HD1 HIS 26 HD1 HIS 26 5.470 5.540 6.038 195 HD2 HIS 26 HD2 HIS 26 3.065 8.045 3.780 196 HE1 HIS 26 HE1 HIS 26 6.552 7.811 6.112 197 H ARG 27 HN ARG 27 2.755 3.003 1.589 198 HA ARG 27 HA ARG 27 0.527 1.582 2.448 199 HB2 ARG 27 HB2 ARG 27 2.441 0.862 0.194 200 HB3 ARG 27 HB1 ARG 27 0.827 0.182 0.397 201 HG2 ARG 27 HG2 ARG 27 1.432 3.118 -0.064 202 HG3 ARG 27 HG1 ARG 27 0.927 1.980 -1.311 203 HD2 ARG 27 HD2 ARG 27 -0.735 2.679 1.135 204 HD3 ARG 27 HD1 ARG 27 -0.929 3.430 -0.449 205 HE ARG 27 HE ARG 27 -1.480 0.601 0.212 206 HH11 ARG 27 HH11 ARG 27 -1.869 3.286 -2.014 207 HH12 ARG 27 HH12 ARG 27 -3.098 2.496 -2.943 208 HH21 ARG 27 HH21 ARG 27 -3.089 -0.425 -1.015 209 HH22 ARG 27 HH22 ARG 27 -3.795 0.396 -2.372 210 H GLY 28 HN GLY 28 3.883 0.453 2.198 211 HA2 GLY 28 HA2 GLY 28 3.802 -1.058 4.580 212 HA3 GLY 28 HA1 GLY 28 3.604 -2.148 3.207 213 HA PRO 29 HA PRO 29 8.250 -1.314 3.731 214 HB2 PRO 29 HB2 PRO 29 8.419 -4.200 4.472 215 HB3 PRO 29 HB1 PRO 29 9.137 -2.798 5.272 216 HG2 PRO 29 HG2 PRO 29 7.067 -4.140 6.379 217 HG3 PRO 29 HG1 PRO 29 7.236 -2.379 6.556 218 HD2 PRO 29 HD2 PRO 29 5.477 -3.936 4.649 219 HD3 PRO 29 HD1 PRO 29 5.072 -2.521 5.656 220 H ALA 30 HN ALA 30 9.674 -1.903 2.082 221 HA ALA 30 HA ALA 30 8.565 -3.546 -0.125 222 HB1 ALA 30 HB1 ALA 30 8.747 -1.148 -0.669 223 HB2 ALA 30 HB2 ALA 30 9.879 -2.094 -1.632 224 HB3 ALA 30 HB3 ALA 30 10.461 -1.165 -0.250 225 H LYS 31 HN LYS 31 9.461 -5.493 0.640 226 HA LYS 31 HA LYS 31 12.266 -5.950 0.150 227 HB2 LYS 31 HB2 LYS 31 12.820 -6.753 2.420 228 HB3 LYS 31 HB1 LYS 31 12.436 -5.036 2.407 229 HG2 LYS 31 HG2 LYS 31 10.230 -5.477 3.356 230 HG3 LYS 31 HG1 LYS 31 10.509 -7.219 3.261 231 HD2 LYS 31 HD2 LYS 31 12.402 -6.977 4.863 232 HD3 LYS 31 HD1 LYS 31 12.052 -5.249 4.988 233 HE2 LYS 31 HE2 LYS 31 9.813 -5.773 5.893 234 HE3 LYS 31 HE1 LYS 31 10.160 -7.501 5.766 235 HZ1 LYS 31 HZ1 LYS 31 11.977 -7.204 7.332 236 HZ2 LYS 31 HZ2 LYS 31 10.519 -6.671 8.010 237 HZ3 LYS 31 HZ3 LYS 31 11.642 -5.550 7.447 238 H HIS 32 HN HIS 32 9.939 -6.946 -1.013 239 HA HIS 32 HA HIS 32 9.503 -9.687 0.026 240 HB2 HIS 32 HB2 HIS 32 7.972 -8.121 -2.107 241 HB3 HIS 32 HB1 HIS 32 7.555 -9.728 -1.524 242 HD1 HIS 32 HD1 HIS 32 6.114 -9.856 0.551 243 HD2 HIS 32 HD2 HIS 32 7.481 -6.009 -0.218 244 HE1 HIS 32 HE1 HIS 32 4.837 -8.357 2.105 245 HE2 HIS 32 HE2 HIS 32 5.817 -6.071 1.745 246 H TYR 33 HN TYR 33 12.029 -9.272 -1.106 247 HA TYR 33 HA TYR 33 11.961 -9.666 -3.982 248 HB2 TYR 33 HB2 TYR 33 14.303 -9.356 -2.046 249 HB3 TYR 33 HB1 TYR 33 14.440 -9.417 -3.805 250 HD1 TYR 33 HD2 TYR 33 12.950 -7.625 -5.117 251 HD2 TYR 33 HD1 TYR 33 14.139 -7.204 -1.041 252 HE1 TYR 33 HE2 TYR 33 12.572 -5.207 -5.251 253 HE2 TYR 33 HE1 TYR 33 13.754 -4.779 -1.183 254 HH TYR 33 HH TYR 33 12.090 -3.337 -3.741 255 H MET 34 HN MET 34 11.765 -11.614 -4.777 256 HA MET 34 HA MET 34 12.651 -13.992 -3.248 257 HB2 MET 34 HB2 MET 34 10.157 -13.549 -3.271 258 HB3 MET 34 HB1 MET 34 10.173 -13.748 -5.015 259 HG2 MET 34 HG2 MET 34 10.878 -16.071 -4.776 260 HG3 MET 34 HG1 MET 34 10.990 -15.885 -3.024 261 HE1 MET 34 HE1 MET 34 8.294 -14.003 -2.601 262 HE2 MET 34 HE2 MET 34 8.840 -15.275 -1.507 263 HE3 MET 34 HE3 MET 34 7.183 -15.281 -2.113 264 H CYS 35 HN CYS 35 13.568 -15.640 -4.409 265 HA CYS 35 HA CYS 35 15.182 -15.021 -6.589 266 HB2 CYS 35 HB2 CYS 35 15.892 -16.747 -5.115 267 HB3 CYS 35 HB1 CYS 35 14.411 -17.627 -5.288 268 HA PRO 36 HA PRO 36 12.415 -15.641 -10.126 269 HB2 PRO 36 HB2 PRO 36 15.022 -16.018 -11.595 270 HB3 PRO 36 HB1 PRO 36 13.675 -14.927 -11.959 271 HG2 PRO 36 HG2 PRO 36 15.916 -13.949 -10.900 272 HG3 PRO 36 HG1 PRO 36 14.337 -13.363 -10.329 273 HD2 PRO 36 HD2 PRO 36 16.194 -15.371 -9.041 274 HD3 PRO 36 HD1 PRO 36 15.312 -14.017 -8.298 275 H ILE 37 HN ILE 37 15.238 -17.867 -9.699 276 HA ILE 37 HA ILE 37 14.016 -19.887 -11.382 277 HB ILE 37 HB ILE 37 16.609 -19.953 -9.788 278 HG12 ILE 37 HG12 ILE 37 16.189 -19.324 -12.755 279 HG13 ILE 37 HG11 ILE 37 16.518 -18.121 -11.514 280 HG21 ILE 37 HG21 ILE 37 17.263 -21.804 -11.307 281 HG22 ILE 37 HG22 ILE 37 15.656 -21.769 -12.037 282 HG23 ILE 37 HG23 ILE 37 15.848 -22.218 -10.342 283 HD11 ILE 37 HD11 ILE 37 18.709 -19.124 -11.112 284 HD12 ILE 37 HD12 ILE 37 18.501 -18.630 -12.792 285 HD13 ILE 37 HD13 ILE 37 18.383 -20.336 -12.358 286 H CYS 38 HN CYS 38 15.058 -19.876 -7.887 287 HA CYS 38 HA CYS 38 13.192 -22.105 -7.447 288 HB2 CYS 38 HB2 CYS 38 14.789 -23.174 -5.991 289 HB3 CYS 38 HB1 CYS 38 15.468 -22.941 -7.574 290 H GLY 39 HN GLY 39 13.514 -18.971 -6.603 291 HA2 GLY 39 HA2 GLY 39 12.187 -17.724 -5.345 292 HA3 GLY 39 HA1 GLY 39 11.163 -19.136 -5.165 293 H GLU 40 HN GLU 40 14.418 -18.793 -3.752 294 HA GLU 40 HA GLU 40 13.597 -18.697 -1.052 295 HB2 GLU 40 HB2 GLU 40 16.192 -17.737 -2.354 296 HB3 GLU 40 HB1 GLU 40 15.936 -17.868 -0.622 297 HG2 GLU 40 HG2 GLU 40 17.232 -19.732 -1.430 298 HG3 GLU 40 HG1 GLU 40 15.685 -20.295 -0.815 299 H ARG 41 HN ARG 41 12.847 -17.010 0.122 300 HA ARG 41 HA ARG 41 12.757 -14.308 -1.033 301 HB2 ARG 41 HB2 ARG 41 11.149 -13.706 0.642 302 HB3 ARG 41 HB1 ARG 41 10.677 -15.271 0.011 303 HG2 ARG 41 HG2 ARG 41 12.123 -14.900 2.653 304 HG3 ARG 41 HG1 ARG 41 10.369 -14.938 2.497 305 HD2 ARG 41 HD2 ARG 41 10.547 -17.231 1.539 306 HD3 ARG 41 HD1 ARG 41 12.289 -17.184 1.822 307 HE ARG 41 HE ARG 41 11.217 -16.657 4.271 308 HH11 ARG 41 HH11 ARG 41 10.833 -19.282 1.976 309 HH12 ARG 41 HH12 ARG 41 10.445 -20.458 3.191 310 HH21 ARG 41 HH21 ARG 41 10.691 -18.218 5.868 311 HH22 ARG 41 HH22 ARG 41 10.369 -19.861 5.402 312 H PHE 42 HN PHE 42 14.071 -12.715 -0.424 313 HA PHE 42 HA PHE 42 15.791 -13.011 1.961 314 HB2 PHE 42 HB2 PHE 42 16.500 -12.107 -0.848 315 HB3 PHE 42 HB1 PHE 42 17.452 -11.583 0.528 316 HD1 PHE 42 HD1 PHE 42 16.527 -14.514 -1.525 317 HD2 PHE 42 HD2 PHE 42 18.915 -13.112 1.733 318 HE1 PHE 42 HE1 PHE 42 17.848 -16.572 -1.599 319 HE2 PHE 42 HE2 PHE 42 20.240 -15.184 1.648 320 HZ PHE 42 HZ PHE 42 19.706 -16.918 -0.018 321 HA PRO 43 HA PRO 43 14.204 -9.165 3.420 322 HB2 PRO 43 HB2 PRO 43 16.351 -8.031 4.709 323 HB3 PRO 43 HB1 PRO 43 15.513 -9.462 5.325 324 HG2 PRO 43 HG2 PRO 43 18.017 -9.332 3.639 325 HG3 PRO 43 HG1 PRO 43 17.749 -10.235 5.147 326 HD2 PRO 43 HD2 PRO 43 17.561 -11.467 2.783 327 HD3 PRO 43 HD1 PRO 43 16.402 -11.853 4.078 328 H SER 44 HN SER 44 16.762 -9.044 1.041 329 HA SER 44 HA SER 44 15.950 -6.347 0.278 330 HB2 SER 44 HB2 SER 44 18.332 -5.513 0.262 331 HB3 SER 44 HB1 SER 44 17.711 -5.821 1.872 332 HG SER 44 HG SER 44 19.575 -6.868 1.967 333 H LEU 45 HN LEU 45 16.866 -5.656 -1.717 334 HA LEU 45 HA LEU 45 17.455 -7.780 -3.651 335 HB2 LEU 45 HB2 LEU 45 15.815 -5.730 -3.950 336 HB3 LEU 45 HB1 LEU 45 17.269 -4.830 -4.309 337 HG LEU 45 HG LEU 45 15.927 -5.678 -6.308 338 HD11 LEU 45 HD11 LEU 45 17.861 -6.263 -7.696 339 HD12 LEU 45 HD12 LEU 45 18.835 -6.518 -6.246 340 HD13 LEU 45 HD13 LEU 45 18.221 -4.910 -6.625 341 HD21 LEU 45 HD21 LEU 45 15.361 -7.901 -5.457 342 HD22 LEU 45 HD22 LEU 45 17.059 -8.382 -5.546 343 HD23 LEU 45 HD23 LEU 45 16.167 -7.997 -7.022 344 H LEU 46 HN LEU 46 19.329 -7.946 -2.067 345 HA LEU 46 HA LEU 46 21.777 -6.861 -3.196 346 HB2 LEU 46 HB2 LEU 46 21.154 -6.745 -0.192 347 HB3 LEU 46 HB1 LEU 46 22.714 -6.380 -0.914 348 HG LEU 46 HG LEU 46 20.188 -4.729 -1.338 349 HD11 LEU 46 HD11 LEU 46 21.206 -3.061 0.161 350 HD12 LEU 46 HD12 LEU 46 22.553 -4.163 0.474 351 HD13 LEU 46 HD13 LEU 46 20.923 -4.591 0.999 352 HD21 LEU 46 HD21 LEU 46 21.748 -4.533 -3.211 353 HD22 LEU 46 HD22 LEU 46 23.071 -4.157 -2.101 354 HD23 LEU 46 HD23 LEU 46 21.712 -3.044 -2.271 355 H THR 47 HN THR 47 20.366 -8.632 -0.483 356 HA THR 47 HA THR 47 22.183 -10.815 -0.432 357 HB THR 47 HB THR 47 20.372 -11.796 1.123 358 HG1 THR 47 HG1 THR 47 19.113 -9.348 1.328 359 HG21 THR 47 HG21 THR 47 22.243 -10.468 2.051 360 HG22 THR 47 HG22 THR 47 20.743 -10.136 2.925 361 HG23 THR 47 HG23 THR 47 21.348 -8.975 1.737 362 H LEU 48 HN LEU 48 18.929 -10.376 -1.812 363 HA LEU 48 HA LEU 48 18.519 -12.937 -2.859 364 HB2 LEU 48 HB2 LEU 48 16.849 -11.028 -2.629 365 HB3 LEU 48 HB1 LEU 48 17.557 -10.296 -4.052 366 HG LEU 48 HG LEU 48 15.346 -11.586 -4.364 367 HD11 LEU 48 HD11 LEU 48 17.629 -12.451 -6.161 368 HD12 LEU 48 HD12 LEU 48 16.700 -10.956 -6.310 369 HD13 LEU 48 HD13 LEU 48 15.903 -12.512 -6.545 370 HD21 LEU 48 HD21 LEU 48 15.869 -13.524 -2.959 371 HD22 LEU 48 HD22 LEU 48 17.145 -14.017 -4.079 372 HD23 LEU 48 HD23 LEU 48 15.460 -14.018 -4.599 373 H THR 49 HN THR 49 20.090 -10.095 -4.253 374 HA THR 49 HA THR 49 20.735 -11.136 -6.778 375 HB THR 49 HB THR 49 22.322 -9.018 -5.258 376 HG1 THR 49 HG1 THR 49 20.833 -7.551 -6.210 377 HG21 THR 49 HG21 THR 49 22.767 -8.125 -7.523 378 HG22 THR 49 HG22 THR 49 21.875 -9.469 -8.238 379 HG23 THR 49 HG23 THR 49 23.378 -9.772 -7.358 380 H GLU 50 HN GLU 50 22.542 -11.123 -3.747 381 HA GLU 50 HA GLU 50 24.955 -12.311 -4.561 382 HB2 GLU 50 HB2 GLU 50 23.525 -12.441 -1.879 383 HB3 GLU 50 HB1 GLU 50 25.147 -13.089 -2.135 384 HG2 GLU 50 HG2 GLU 50 25.947 -10.830 -2.725 385 HG3 GLU 50 HG1 GLU 50 24.328 -10.188 -2.479 386 H HIS 51 HN HIS 51 21.927 -13.812 -3.443 387 HA HIS 51 HA HIS 51 22.740 -16.516 -3.642 388 HB2 HIS 51 HB2 HIS 51 20.768 -16.028 -2.372 389 HB3 HIS 51 HB1 HIS 51 20.024 -15.149 -3.703 390 HD1 HIS 51 HD1 HIS 51 21.095 -18.750 -2.960 391 HD2 HIS 51 HD2 HIS 51 18.231 -16.612 -5.070 392 HE1 HIS 51 HE1 HIS 51 19.588 -20.458 -4.043 393 H LYS 52 HN LYS 52 21.294 -14.284 -5.945 394 HA LYS 52 HA LYS 52 20.593 -16.153 -7.938 395 HB2 LYS 52 HB2 LYS 52 19.541 -13.934 -7.662 396 HB3 LYS 52 HB1 LYS 52 21.042 -13.156 -8.160 397 HG2 LYS 52 HG2 LYS 52 20.834 -14.152 -10.398 398 HG3 LYS 52 HG1 LYS 52 19.385 -15.020 -9.891 399 HD2 LYS 52 HD2 LYS 52 18.787 -13.035 -11.218 400 HD3 LYS 52 HD1 LYS 52 18.190 -12.895 -9.564 401 HE2 LYS 52 HE2 LYS 52 20.017 -11.369 -8.998 402 HE3 LYS 52 HE1 LYS 52 20.717 -11.572 -10.607 403 HZ1 LYS 52 HZ1 LYS 52 19.450 -9.525 -10.449 404 HZ2 LYS 52 HZ2 LYS 52 18.072 -10.378 -9.994 405 HZ3 LYS 52 HZ3 LYS 52 18.713 -10.582 -11.544 406 H VAL 53 HN VAL 53 23.512 -14.169 -7.482 407 HA VAL 53 HA VAL 53 24.645 -14.847 -10.035 408 HB VAL 53 HB VAL 53 26.654 -13.666 -9.259 409 HG11 VAL 53 HG11 VAL 53 24.827 -12.327 -10.205 410 HG12 VAL 53 HG12 VAL 53 25.676 -11.413 -8.961 411 HG13 VAL 53 HG13 VAL 53 24.110 -12.139 -8.600 412 HG21 VAL 53 HG21 VAL 53 26.723 -14.335 -6.898 413 HG22 VAL 53 HG22 VAL 53 25.259 -13.400 -6.569 414 HG23 VAL 53 HG23 VAL 53 26.752 -12.578 -7.036 415 H THR 54 HN THR 54 24.814 -16.169 -6.815 416 HA THR 54 HA THR 54 26.943 -18.073 -7.472 417 HB THR 54 HB THR 54 26.551 -18.935 -5.127 418 HG1 THR 54 HG1 THR 54 25.098 -16.763 -4.318 419 HG21 THR 54 HG21 THR 54 27.041 -15.939 -5.335 420 HG22 THR 54 HG22 THR 54 28.263 -17.197 -5.528 421 HG23 THR 54 HG23 THR 54 27.479 -16.965 -3.967 422 H HIS 55 HN HIS 55 23.957 -18.026 -8.568 423 HA HIS 55 HA HIS 55 22.824 -20.507 -7.907 424 HB2 HIS 55 HB2 HIS 55 22.171 -18.338 -9.669 425 HB3 HIS 55 HB1 HIS 55 22.137 -19.780 -10.665 426 HD1 HIS 55 HD1 HIS 55 20.426 -21.626 -9.967 427 HD2 HIS 55 HD2 HIS 55 20.079 -18.058 -7.893 428 HE1 HIS 55 HE1 HIS 55 18.226 -21.733 -8.763 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -10.086 23.444 10.833 2 H2 MET 1 HT2 MET 1 -8.949 22.661 9.860 3 H3 MET 1 HT3 MET 1 -9.814 21.789 11.017 4 HA MET 1 HA MET 1 -11.859 22.161 9.858 5 HB2 MET 1 HB2 MET 1 -11.337 24.339 8.875 6 HB3 MET 1 HB1 MET 1 -10.084 23.636 7.865 7 HG2 MET 1 HG2 MET 1 -11.780 22.393 6.601 8 HG3 MET 1 HG1 MET 1 -13.051 23.031 7.642 9 HE1 MET 1 HE1 MET 1 -12.112 26.117 8.005 10 HE2 MET 1 HE2 MET 1 -13.772 25.604 7.692 11 HE3 MET 1 HE3 MET 1 -13.030 26.849 6.691 12 H GLY 2 HN GLY 2 -8.876 21.720 7.928 13 HA2 GLY 2 HA2 GLY 2 -9.493 18.863 7.504 14 HA3 GLY 2 HA1 GLY 2 -9.278 19.902 6.097 15 H SER 3 HN SER 3 -7.680 17.695 7.797 16 HA SER 3 HA SER 3 -5.038 18.989 7.423 17 HB2 SER 3 HB2 SER 3 -5.814 16.943 9.554 18 HB3 SER 3 HB1 SER 3 -4.192 17.589 9.286 19 HG SER 3 HG SER 3 -5.918 19.623 9.526 20 H HIS 4 HN HIS 4 -4.864 18.199 5.387 21 HA HIS 4 HA HIS 4 -4.384 15.327 4.988 22 HB2 HIS 4 HB2 HIS 4 -4.067 17.683 3.069 23 HB3 HIS 4 HB1 HIS 4 -3.691 16.010 2.654 24 HD1 HIS 4 HD1 HIS 4 -5.663 14.434 2.182 25 HD2 HIS 4 HD2 HIS 4 -6.853 18.226 3.372 26 HE1 HIS 4 HE1 HIS 4 -8.128 14.538 1.748 27 HE2 HIS 4 HE2 HIS 4 -8.808 16.861 2.425 28 H LYS 5 HN LYS 5 -2.923 15.371 6.782 29 HA LYS 5 HA LYS 5 -0.140 16.057 6.043 30 HB2 LYS 5 HB2 LYS 5 -0.917 17.681 7.719 31 HB3 LYS 5 HB1 LYS 5 -1.496 16.389 8.759 32 HG2 LYS 5 HG2 LYS 5 0.817 15.620 9.138 33 HG3 LYS 5 HG1 LYS 5 1.422 16.873 8.056 34 HD2 LYS 5 HD2 LYS 5 -0.038 17.352 10.681 35 HD3 LYS 5 HD1 LYS 5 1.699 17.495 10.425 36 HE2 LYS 5 HE2 LYS 5 1.305 19.329 8.810 37 HE3 LYS 5 HE1 LYS 5 -0.430 19.204 9.100 38 HZ1 LYS 5 HZ1 LYS 5 0.556 20.977 10.396 39 HZ2 LYS 5 HZ2 LYS 5 1.616 19.895 11.135 40 HZ3 LYS 5 HZ3 LYS 5 -0.047 19.775 11.415 41 H CYS 6 HN CYS 6 1.248 14.343 6.271 42 HA CYS 6 HA CYS 6 0.262 11.750 6.918 43 HB2 CYS 6 HB2 CYS 6 2.139 12.158 5.314 44 HB3 CYS 6 HB1 CYS 6 3.135 12.708 6.637 45 H ASN 7 HN ASN 7 -0.476 11.705 9.046 46 HA ASN 7 HA ASN 7 0.726 12.643 11.365 47 HB2 ASN 7 HB2 ASN 7 -1.560 11.871 11.393 48 HB3 ASN 7 HB1 ASN 7 -1.091 10.252 10.883 49 HD21 ASN 7 HD21 ASN 7 -0.336 8.802 12.447 50 HD22 ASN 7 HD22 ASN 7 -0.395 9.127 14.143 51 H VAL 8 HN VAL 8 1.384 9.660 9.613 52 HA VAL 8 HA VAL 8 2.780 8.172 11.534 53 HB VAL 8 HB VAL 8 3.419 8.140 8.544 54 HG11 VAL 8 HG11 VAL 8 5.003 6.834 9.893 55 HG12 VAL 8 HG12 VAL 8 4.008 5.760 8.905 56 HG13 VAL 8 HG13 VAL 8 3.674 5.944 10.631 57 HG21 VAL 8 HG21 VAL 8 0.993 7.962 8.829 58 HG22 VAL 8 HG22 VAL 8 1.202 6.636 9.982 59 HG23 VAL 8 HG23 VAL 8 1.666 6.424 8.291 60 H CYS 9 HN CYS 9 4.082 10.431 9.104 61 HA CYS 9 HA CYS 9 6.772 10.423 10.237 62 HB2 CYS 9 HB2 CYS 9 5.546 12.093 8.025 63 HB3 CYS 9 HB1 CYS 9 7.244 12.114 8.464 64 H SER 10 HN SER 10 3.938 12.386 10.267 65 HA SER 10 HA SER 10 3.140 14.140 11.409 66 HB2 SER 10 HB2 SER 10 4.343 13.294 13.405 67 HB3 SER 10 HB1 SER 10 5.774 14.203 12.936 68 HG SER 10 HG SER 10 3.653 15.845 12.997 69 H ARG 11 HN ARG 11 5.204 14.216 9.046 70 HA ARG 11 HA ARG 11 6.003 17.002 9.009 71 HB2 ARG 11 HB2 ARG 11 7.453 15.176 8.151 72 HB3 ARG 11 HB1 ARG 11 6.223 14.758 6.973 73 HG2 ARG 11 HG2 ARG 11 7.932 15.971 5.849 74 HG3 ARG 11 HG1 ARG 11 6.513 17.009 5.950 75 HD2 ARG 11 HD2 ARG 11 7.505 18.271 7.774 76 HD3 ARG 11 HD1 ARG 11 8.873 17.156 7.855 77 HE ARG 11 HE ARG 11 8.447 18.577 5.334 78 HH11 ARG 11 HH11 ARG 11 10.303 18.370 8.323 79 HH12 ARG 11 HH12 ARG 11 11.574 19.397 7.743 80 HH21 ARG 11 HH21 ARG 11 10.140 19.928 4.612 81 HH22 ARG 11 HH22 ARG 11 11.485 20.267 5.653 82 H THR 12 HN THR 12 5.259 18.500 7.413 83 HA THR 12 HA THR 12 2.427 18.136 6.710 84 HB THR 12 HB THR 12 3.071 20.185 7.992 85 HG1 THR 12 HG1 THR 12 2.135 20.959 5.420 86 HG21 THR 12 HG21 THR 12 4.208 22.052 6.875 87 HG22 THR 12 HG22 THR 12 4.465 21.059 5.438 88 HG23 THR 12 HG23 THR 12 5.277 20.649 6.951 89 H PHE 13 HN PHE 13 1.630 18.544 4.698 90 HA PHE 13 HA PHE 13 3.218 18.300 2.314 91 HB2 PHE 13 HB2 PHE 13 1.079 18.396 1.125 92 HB3 PHE 13 HB1 PHE 13 0.933 17.311 2.496 93 HD1 PHE 13 HD1 PHE 13 0.473 19.610 4.641 94 HD2 PHE 13 HD2 PHE 13 -1.268 18.774 0.832 95 HE1 PHE 13 HE1 PHE 13 -1.587 20.727 5.336 96 HE2 PHE 13 HE2 PHE 13 -3.319 19.907 1.526 97 HZ PHE 13 HZ PHE 13 -3.492 20.890 3.782 98 H PHE 14 HN PHE 14 2.340 19.898 0.445 99 HA PHE 14 HA PHE 14 2.408 22.730 1.309 100 HB2 PHE 14 HB2 PHE 14 3.674 21.622 -1.253 101 HB3 PHE 14 HB1 PHE 14 3.619 23.313 -0.772 102 HD1 PHE 14 HD2 PHE 14 4.977 24.083 1.224 103 HD2 PHE 14 HD1 PHE 14 5.414 20.172 -0.459 104 HE1 PHE 14 HE2 PHE 14 7.158 23.845 2.327 105 HE2 PHE 14 HE1 PHE 14 7.590 19.941 0.648 106 HZ PHE 14 HZ PHE 14 8.471 21.777 2.038 107 H SER 15 HN SER 15 1.752 20.502 -1.379 108 HA SER 15 HA SER 15 -0.941 21.664 -1.797 109 HB2 SER 15 HB2 SER 15 -0.764 20.736 -4.118 110 HB3 SER 15 HB1 SER 15 0.508 21.916 -3.792 111 HG SER 15 HG SER 15 0.984 19.695 -4.799 112 H GLU 16 HN GLU 16 -2.637 20.025 -2.251 113 HA GLU 16 HA GLU 16 -2.538 17.963 -0.281 114 HB2 GLU 16 HB2 GLU 16 -4.649 19.174 -0.883 115 HB3 GLU 16 HB1 GLU 16 -4.651 18.353 -2.445 116 HG2 GLU 16 HG2 GLU 16 -4.783 16.152 -1.255 117 HG3 GLU 16 HG1 GLU 16 -4.876 17.014 0.280 118 H ASN 17 HN ASN 17 -2.032 17.983 -3.787 119 HA ASN 17 HA ASN 17 -2.248 15.110 -4.099 120 HB2 ASN 17 HB2 ASN 17 -1.056 17.195 -5.990 121 HB3 ASN 17 HB1 ASN 17 -1.343 15.505 -6.387 122 HD21 ASN 17 HD21 ASN 17 -2.773 18.597 -6.002 123 HD22 ASN 17 HD22 ASN 17 -4.361 18.171 -6.521 124 H GLY 18 HN GLY 18 0.254 17.441 -3.345 125 HA2 GLY 18 HA2 GLY 18 2.569 15.846 -3.617 126 HA3 GLY 18 HA1 GLY 18 2.372 17.204 -2.516 127 H LEU 19 HN LEU 19 0.305 16.277 -0.877 128 HA LEU 19 HA LEU 19 1.471 14.455 0.927 129 HB2 LEU 19 HB2 LEU 19 -0.345 16.096 1.425 130 HB3 LEU 19 HB1 LEU 19 -1.480 15.123 0.544 131 HG LEU 19 HG LEU 19 -1.562 14.983 3.113 132 HD11 LEU 19 HD11 LEU 19 -2.774 13.372 1.726 133 HD12 LEU 19 HD12 LEU 19 -2.161 12.636 3.203 134 HD13 LEU 19 HD13 LEU 19 -1.348 12.333 1.666 135 HD21 LEU 19 HD21 LEU 19 -0.021 13.445 4.241 136 HD22 LEU 19 HD22 LEU 19 0.837 14.821 3.559 137 HD23 LEU 19 HD23 LEU 19 0.908 13.252 2.749 138 H ARG 20 HN ARG 20 -1.019 14.028 -1.570 139 HA ARG 20 HA ARG 20 -1.596 11.299 -1.185 140 HB2 ARG 20 HB2 ARG 20 -1.828 13.028 -3.674 141 HB3 ARG 20 HB1 ARG 20 -2.545 11.427 -3.508 142 HG2 ARG 20 HG2 ARG 20 -3.210 13.840 -1.806 143 HG3 ARG 20 HG1 ARG 20 -4.178 13.228 -3.141 144 HD2 ARG 20 HD2 ARG 20 -3.576 11.789 -0.541 145 HD3 ARG 20 HD1 ARG 20 -5.124 12.489 -1.014 146 HE ARG 20 HE ARG 20 -4.023 10.395 -2.741 147 HH11 ARG 20 HH11 ARG 20 -6.403 11.261 -0.295 148 HH12 ARG 20 HH12 ARG 20 -7.265 9.762 -0.437 149 HH21 ARG 20 HH21 ARG 20 -5.178 8.452 -2.937 150 HH22 ARG 20 HH22 ARG 20 -6.576 8.170 -1.948 151 H GLU 21 HN GLU 21 0.936 12.867 -3.044 152 HA GLU 21 HA GLU 21 1.879 10.655 -4.518 153 HB2 GLU 21 HB2 GLU 21 2.370 13.117 -4.960 154 HB3 GLU 21 HB1 GLU 21 3.426 13.113 -3.553 155 HG2 GLU 21 HG2 GLU 21 4.753 12.953 -5.567 156 HG3 GLU 21 HG1 GLU 21 4.871 11.440 -4.679 157 H HIS 22 HN HIS 22 2.855 12.168 -1.477 158 HA HIS 22 HA HIS 22 4.916 10.354 -0.739 159 HB2 HIS 22 HB2 HIS 22 4.900 12.617 0.131 160 HB3 HIS 22 HB1 HIS 22 3.301 12.407 0.828 161 HD1 HIS 22 HD1 HIS 22 6.911 11.468 1.426 162 HD2 HIS 22 HD2 HIS 22 3.226 11.266 3.319 163 HE1 HIS 22 HE1 HIS 22 7.373 10.770 3.804 164 H LEU 23 HN LEU 23 1.476 10.302 -0.338 165 HA LEU 23 HA LEU 23 1.074 8.846 2.004 166 HB2 LEU 23 HB2 LEU 23 -0.557 10.188 0.498 167 HB3 LEU 23 HB1 LEU 23 -0.726 8.708 -0.434 168 HG LEU 23 HG LEU 23 -1.510 7.562 1.665 169 HD11 LEU 23 HD11 LEU 23 -0.512 8.968 3.360 170 HD12 LEU 23 HD12 LEU 23 -2.260 8.990 3.568 171 HD13 LEU 23 HD13 LEU 23 -1.444 10.363 2.819 172 HD21 LEU 23 HD21 LEU 23 -3.774 8.570 1.653 173 HD22 LEU 23 HD22 LEU 23 -3.145 8.363 0.021 174 HD23 LEU 23 HD23 LEU 23 -3.144 9.962 0.770 175 H GLN 24 HN GLN 24 1.857 7.772 -1.210 176 HA GLN 24 HA GLN 24 0.815 5.131 -1.001 177 HB2 GLN 24 HB2 GLN 24 2.699 6.230 -3.092 178 HB3 GLN 24 HB1 GLN 24 1.623 4.849 -3.245 179 HG2 GLN 24 HG2 GLN 24 0.826 7.756 -3.005 180 HG3 GLN 24 HG1 GLN 24 0.666 6.722 -4.406 181 HE21 GLN 24 HE21 GLN 24 -1.330 8.272 -2.877 182 HE22 GLN 24 HE22 GLN 24 -2.567 7.147 -2.453 183 H THR 25 HN THR 25 3.861 6.486 -0.083 184 HA THR 25 HA THR 25 5.457 4.078 -0.339 185 HB THR 25 HB THR 25 7.115 5.401 1.114 186 HG1 THR 25 HG1 THR 25 6.003 6.936 2.125 187 HG21 THR 25 HG21 THR 25 7.355 5.341 -1.338 188 HG22 THR 25 HG22 THR 25 7.777 6.932 -0.704 189 HG23 THR 25 HG23 THR 25 6.218 6.681 -1.489 190 H HIS 26 HN HIS 26 3.082 5.003 1.863 191 HA HIS 26 HA HIS 26 4.184 3.372 4.078 192 HB2 HIS 26 HB2 HIS 26 1.845 5.319 4.042 193 HB3 HIS 26 HB1 HIS 26 2.264 4.312 5.428 194 HD1 HIS 26 HD1 HIS 26 4.643 4.839 6.553 195 HD2 HIS 26 HD2 HIS 26 3.278 7.623 3.804 196 HE1 HIS 26 HE1 HIS 26 5.995 6.922 6.936 197 H ARG 27 HN ARG 27 2.525 2.868 1.352 198 HA ARG 27 HA ARG 27 1.285 0.425 2.422 199 HB2 ARG 27 HB2 ARG 27 -0.677 0.694 0.897 200 HB3 ARG 27 HB1 ARG 27 -0.616 1.909 2.164 201 HG2 ARG 27 HG2 ARG 27 0.146 3.606 0.596 202 HG3 ARG 27 HG1 ARG 27 0.294 2.399 -0.687 203 HD2 ARG 27 HD2 ARG 27 -1.753 3.726 -0.970 204 HD3 ARG 27 HD1 ARG 27 -2.150 2.039 -0.650 205 HE ARG 27 HE ARG 27 -2.490 4.310 1.208 206 HH11 ARG 27 HH11 ARG 27 -3.127 0.928 0.495 207 HH12 ARG 27 HH12 ARG 27 -4.362 0.780 1.705 208 HH21 ARG 27 HH21 ARG 27 -4.138 4.096 2.775 209 HH22 ARG 27 HH22 ARG 27 -4.947 2.571 2.971 210 H GLY 28 HN GLY 28 3.706 1.468 0.734 211 HA2 GLY 28 HA2 GLY 28 3.483 -0.120 -1.689 212 HA3 GLY 28 HA1 GLY 28 4.921 0.711 -1.119 213 HA PRO 29 HA PRO 29 4.828 -4.086 -0.031 214 HB2 PRO 29 HB2 PRO 29 6.504 -4.316 -2.530 215 HB3 PRO 29 HB1 PRO 29 5.288 -5.429 -1.880 216 HG2 PRO 29 HG2 PRO 29 4.700 -3.893 -3.989 217 HG3 PRO 29 HG1 PRO 29 3.488 -4.161 -2.719 218 HD2 PRO 29 HD2 PRO 29 5.246 -1.740 -3.175 219 HD3 PRO 29 HD1 PRO 29 3.527 -1.811 -2.732 220 H ALA 30 HN ALA 30 6.298 -4.321 1.530 221 HA ALA 30 HA ALA 30 9.074 -3.347 1.180 222 HB1 ALA 30 HB1 ALA 30 7.848 -1.862 2.707 223 HB2 ALA 30 HB2 ALA 30 9.108 -2.742 3.571 224 HB3 ALA 30 HB3 ALA 30 7.422 -3.239 3.727 225 H LYS 31 HN LYS 31 9.370 -5.484 0.351 226 HA LYS 31 HA LYS 31 9.486 -7.682 2.313 227 HB2 LYS 31 HB2 LYS 31 9.725 -7.612 -0.726 228 HB3 LYS 31 HB1 LYS 31 10.234 -9.020 0.197 229 HG2 LYS 31 HG2 LYS 31 8.031 -9.396 -0.698 230 HG3 LYS 31 HG1 LYS 31 7.940 -9.288 1.060 231 HD2 LYS 31 HD2 LYS 31 7.059 -6.992 0.889 232 HD3 LYS 31 HD1 LYS 31 7.211 -7.048 -0.871 233 HE2 LYS 31 HE2 LYS 31 4.882 -7.439 -0.092 234 HE3 LYS 31 HE1 LYS 31 5.528 -8.808 -0.998 235 HZ1 LYS 31 HZ1 LYS 31 5.936 -9.956 1.063 236 HZ2 LYS 31 HZ2 LYS 31 4.317 -9.480 0.991 237 HZ3 LYS 31 HZ3 LYS 31 5.405 -8.629 1.962 238 H HIS 32 HN HIS 32 11.451 -8.662 2.859 239 HA HIS 32 HA HIS 32 13.909 -7.241 2.102 240 HB2 HIS 32 HB2 HIS 32 15.052 -8.399 3.870 241 HB3 HIS 32 HB1 HIS 32 13.529 -7.829 4.534 242 HD1 HIS 32 HD1 HIS 32 15.482 -10.915 3.829 243 HD2 HIS 32 HD2 HIS 32 11.694 -9.931 5.220 244 HE1 HIS 32 HE1 HIS 32 14.593 -12.997 4.891 245 HE2 HIS 32 HE2 HIS 32 12.307 -12.386 5.748 246 H TYR 33 HN TYR 33 15.262 -8.010 0.594 247 HA TYR 33 HA TYR 33 15.361 -10.801 -0.117 248 HB2 TYR 33 HB2 TYR 33 15.279 -10.080 -2.681 249 HB3 TYR 33 HB1 TYR 33 13.813 -10.495 -1.812 250 HD1 TYR 33 HD1 TYR 33 15.737 -7.680 -3.293 251 HD2 TYR 33 HD2 TYR 33 12.107 -8.804 -1.346 252 HE1 TYR 33 HE1 TYR 33 14.729 -5.537 -3.923 253 HE2 TYR 33 HE2 TYR 33 11.112 -6.653 -1.965 254 HH TYR 33 HH TYR 33 11.934 -4.335 -2.569 255 H MET 34 HN MET 34 17.255 -10.499 0.966 256 HA MET 34 HA MET 34 19.479 -9.583 -0.734 257 HB2 MET 34 HB2 MET 34 19.130 -7.939 1.148 258 HB3 MET 34 HB1 MET 34 19.315 -9.250 2.313 259 HG2 MET 34 HG2 MET 34 21.641 -9.590 1.539 260 HG3 MET 34 HG1 MET 34 21.449 -8.271 0.380 261 HE1 MET 34 HE1 MET 34 23.876 -8.284 2.396 262 HE2 MET 34 HE2 MET 34 23.843 -6.641 3.030 263 HE3 MET 34 HE3 MET 34 23.572 -6.930 1.310 264 H CYS 35 HN CYS 35 21.070 -11.105 -0.886 265 HA CYS 35 HA CYS 35 20.500 -13.786 -0.356 266 HB2 CYS 35 HB2 CYS 35 21.948 -13.244 -2.163 267 HB3 CYS 35 HB1 CYS 35 23.028 -12.356 -1.139 268 HA PRO 36 HA PRO 36 21.952 -14.172 3.936 269 HB2 PRO 36 HB2 PRO 36 21.984 -17.116 3.370 270 HB3 PRO 36 HB1 PRO 36 21.095 -16.217 4.611 271 HG2 PRO 36 HG2 PRO 36 19.820 -17.244 2.487 272 HG3 PRO 36 HG1 PRO 36 19.364 -15.658 3.143 273 HD2 PRO 36 HD2 PRO 36 21.074 -16.270 0.714 274 HD3 PRO 36 HD1 PRO 36 19.750 -15.092 0.901 275 H ILE 37 HN ILE 37 23.521 -16.031 1.288 276 HA ILE 37 HA ILE 37 25.889 -16.595 2.816 277 HB ILE 37 HB ILE 37 25.348 -17.027 -0.161 278 HG12 ILE 37 HG12 ILE 37 24.981 -19.014 2.153 279 HG13 ILE 37 HG11 ILE 37 23.666 -18.182 1.335 280 HG21 ILE 37 HG21 ILE 37 27.735 -17.114 0.389 281 HG22 ILE 37 HG22 ILE 37 27.154 -18.725 -0.007 282 HG23 ILE 37 HG23 ILE 37 27.435 -18.282 1.679 283 HD11 ILE 37 HD11 ILE 37 24.218 -19.333 -0.751 284 HD12 ILE 37 HD12 ILE 37 23.898 -20.466 0.562 285 HD13 ILE 37 HD13 ILE 37 25.557 -20.153 0.060 286 H CYS 38 HN CYS 38 25.396 -14.621 -0.196 287 HA CYS 38 HA CYS 38 27.728 -13.027 0.604 288 HB2 CYS 38 HB2 CYS 38 28.420 -12.932 -1.747 289 HB3 CYS 38 HB1 CYS 38 28.429 -14.550 -1.095 290 H GLY 39 HN GLY 39 24.493 -12.598 0.215 291 HA2 GLY 39 HA2 GLY 39 23.273 -10.778 0.580 292 HA3 GLY 39 HA1 GLY 39 24.760 -9.929 0.968 293 H GLU 40 HN GLU 40 23.892 -11.173 -2.245 294 HA GLU 40 HA GLU 40 23.723 -8.690 -3.555 295 HB2 GLU 40 HB2 GLU 40 22.538 -11.394 -4.332 296 HB3 GLU 40 HB1 GLU 40 22.590 -9.993 -5.391 297 HG2 GLU 40 HG2 GLU 40 24.336 -11.564 -5.953 298 HG3 GLU 40 HG1 GLU 40 25.043 -10.061 -5.386 299 H ARG 41 HN ARG 41 22.175 -7.184 -3.393 300 HA ARG 41 HA ARG 41 19.410 -7.779 -2.604 301 HB2 ARG 41 HB2 ARG 41 20.791 -5.181 -3.419 302 HB3 ARG 41 HB1 ARG 41 19.082 -5.284 -3.015 303 HG2 ARG 41 HG2 ARG 41 20.220 -4.402 -1.108 304 HG3 ARG 41 HG1 ARG 41 19.748 -6.054 -0.718 305 HD2 ARG 41 HD2 ARG 41 22.012 -5.528 0.100 306 HD3 ARG 41 HD1 ARG 41 22.040 -6.823 -1.100 307 HE ARG 41 HE ARG 41 22.626 -4.897 -2.717 308 HH11 ARG 41 HH11 ARG 41 23.650 -4.887 0.640 309 HH12 ARG 41 HH12 ARG 41 25.172 -4.135 0.299 310 HH21 ARG 41 HH21 ARG 41 24.615 -3.915 -3.147 311 HH22 ARG 41 HH22 ARG 41 25.719 -3.580 -1.850 312 H PHE 42 HN PHE 42 17.682 -7.786 -4.057 313 HA PHE 42 HA PHE 42 18.326 -7.662 -6.953 314 HB2 PHE 42 HB2 PHE 42 16.635 -9.594 -5.333 315 HB3 PHE 42 HB1 PHE 42 16.378 -9.412 -7.063 316 HD1 PHE 42 HD2 PHE 42 18.147 -10.035 -8.687 317 HD2 PHE 42 HD1 PHE 42 18.649 -10.738 -4.501 318 HE1 PHE 42 HE2 PHE 42 20.026 -11.537 -9.167 319 HE2 PHE 42 HE1 PHE 42 20.533 -12.235 -4.992 320 HZ PHE 42 HZ PHE 42 21.226 -12.639 -7.322 321 HA PRO 43 HA PRO 43 14.748 -4.925 -7.722 322 HB2 PRO 43 HB2 PRO 43 13.142 -6.301 -9.545 323 HB3 PRO 43 HB1 PRO 43 14.585 -5.375 -9.985 324 HG2 PRO 43 HG2 PRO 43 14.323 -8.344 -9.460 325 HG3 PRO 43 HG1 PRO 43 15.161 -7.518 -10.796 326 HD2 PRO 43 HD2 PRO 43 16.560 -8.456 -8.729 327 HD3 PRO 43 HD1 PRO 43 16.973 -6.868 -9.418 328 H SER 44 HN SER 44 13.847 -8.339 -7.159 329 HA SER 44 HA SER 44 11.902 -7.626 -5.132 330 HB2 SER 44 HB2 SER 44 10.971 -8.993 -7.702 331 HB3 SER 44 HB1 SER 44 10.001 -8.874 -6.235 332 HG SER 44 HG SER 44 10.709 -6.445 -6.687 333 H LEU 45 HN LEU 45 10.725 -9.784 -4.427 334 HA LEU 45 HA LEU 45 12.830 -11.681 -3.770 335 HB2 LEU 45 HB2 LEU 45 11.284 -10.777 -2.026 336 HB3 LEU 45 HB1 LEU 45 9.934 -11.553 -2.841 337 HG LEU 45 HG LEU 45 10.985 -13.790 -2.370 338 HD11 LEU 45 HD11 LEU 45 13.327 -13.116 -2.212 339 HD12 LEU 45 HD12 LEU 45 12.829 -13.950 -0.742 340 HD13 LEU 45 HD13 LEU 45 12.984 -12.192 -0.746 341 HD21 LEU 45 HD21 LEU 45 10.430 -13.857 0.032 342 HD22 LEU 45 HD22 LEU 45 9.244 -12.916 -0.872 343 HD23 LEU 45 HD23 LEU 45 10.468 -12.088 0.091 344 H LEU 46 HN LEU 46 12.959 -12.390 -6.040 345 HA LEU 46 HA LEU 46 11.510 -14.889 -6.450 346 HB2 LEU 46 HB2 LEU 46 10.092 -13.187 -7.595 347 HB3 LEU 46 HB1 LEU 46 11.476 -12.642 -8.518 348 HG LEU 46 HG LEU 46 11.581 -14.884 -9.635 349 HD11 LEU 46 HD11 LEU 46 10.511 -16.264 -7.921 350 HD12 LEU 46 HD12 LEU 46 9.687 -16.440 -9.466 351 HD13 LEU 46 HD13 LEU 46 8.969 -15.447 -8.198 352 HD21 LEU 46 HD21 LEU 46 10.425 -13.012 -10.739 353 HD22 LEU 46 HD22 LEU 46 8.917 -13.460 -9.943 354 HD23 LEU 46 HD23 LEU 46 9.650 -14.549 -11.120 355 H THR 47 HN THR 47 13.573 -12.526 -8.048 356 HA THR 47 HA THR 47 15.428 -14.342 -9.207 357 HB THR 47 HB THR 47 16.892 -12.233 -9.433 358 HG1 THR 47 HG1 THR 47 16.186 -10.412 -8.562 359 HG21 THR 47 HG21 THR 47 14.035 -12.053 -10.469 360 HG22 THR 47 HG22 THR 47 15.350 -12.935 -11.245 361 HG23 THR 47 HG23 THR 47 15.424 -11.177 -11.120 362 H LEU 48 HN LEU 48 15.241 -12.873 -6.027 363 HA LEU 48 HA LEU 48 17.817 -13.553 -5.067 364 HB2 LEU 48 HB2 LEU 48 16.171 -11.937 -4.029 365 HB3 LEU 48 HB1 LEU 48 15.232 -13.299 -3.475 366 HG LEU 48 HG LEU 48 16.765 -12.113 -1.753 367 HD11 LEU 48 HD11 LEU 48 15.720 -14.254 -1.229 368 HD12 LEU 48 HD12 LEU 48 17.335 -14.144 -0.536 369 HD13 LEU 48 HD13 LEU 48 17.063 -15.117 -1.982 370 HD21 LEU 48 HD21 LEU 48 18.775 -11.900 -3.121 371 HD22 LEU 48 HD22 LEU 48 18.937 -13.655 -3.208 372 HD23 LEU 48 HD23 LEU 48 19.119 -12.823 -1.665 373 H THR 49 HN THR 49 14.751 -15.301 -5.149 374 HA THR 49 HA THR 49 15.487 -17.623 -3.709 375 HB THR 49 HB THR 49 13.353 -17.320 -5.883 376 HG1 THR 49 HG1 THR 49 11.994 -16.765 -4.135 377 HG21 THR 49 HG21 THR 49 12.151 -19.106 -4.688 378 HG22 THR 49 HG22 THR 49 13.471 -19.247 -3.525 379 HG23 THR 49 HG23 THR 49 13.731 -19.686 -5.214 380 H GLU 50 HN GLU 50 15.434 -16.838 -7.142 381 HA GLU 50 HA GLU 50 16.409 -19.244 -8.224 382 HB2 GLU 50 HB2 GLU 50 16.692 -16.408 -9.292 383 HB3 GLU 50 HB1 GLU 50 17.023 -17.868 -10.224 384 HG2 GLU 50 HG2 GLU 50 14.641 -18.567 -9.954 385 HG3 GLU 50 HG1 GLU 50 14.331 -17.074 -9.071 386 H HIS 51 HN HIS 51 18.126 -16.340 -7.098 387 HA HIS 51 HA HIS 51 20.749 -17.097 -7.799 388 HB2 HIS 51 HB2 HIS 51 20.294 -14.796 -7.233 389 HB3 HIS 51 HB1 HIS 51 19.707 -15.234 -5.634 390 HD1 HIS 51 HD1 HIS 51 23.015 -15.405 -7.557 391 HD2 HIS 51 HD2 HIS 51 21.550 -14.873 -3.711 392 HE1 HIS 51 HE1 HIS 51 25.031 -15.028 -6.077 393 H LYS 52 HN LYS 52 18.762 -17.849 -5.019 394 HA LYS 52 HA LYS 52 20.786 -18.818 -3.290 395 HB2 LYS 52 HB2 LYS 52 18.532 -18.062 -2.564 396 HB3 LYS 52 HB1 LYS 52 17.807 -19.469 -3.328 397 HG2 LYS 52 HG2 LYS 52 19.011 -20.953 -1.764 398 HG3 LYS 52 HG1 LYS 52 19.771 -19.552 -1.005 399 HD2 LYS 52 HD2 LYS 52 16.785 -20.163 -1.041 400 HD3 LYS 52 HD1 LYS 52 17.869 -20.372 0.334 401 HE2 LYS 52 HE2 LYS 52 18.279 -17.949 0.404 402 HE3 LYS 52 HE1 LYS 52 17.220 -17.715 -0.991 403 HZ1 LYS 52 HZ1 LYS 52 16.389 -18.825 1.636 404 HZ2 LYS 52 HZ2 LYS 52 15.380 -18.561 0.312 405 HZ3 LYS 52 HZ3 LYS 52 16.093 -17.250 1.102 406 H VAL 53 HN VAL 53 18.722 -20.470 -5.730 407 HA VAL 53 HA VAL 53 19.566 -23.117 -4.895 408 HB VAL 53 HB VAL 53 18.078 -23.946 -6.668 409 HG11 VAL 53 HG11 VAL 53 16.776 -21.775 -4.986 410 HG12 VAL 53 HG12 VAL 53 17.089 -23.437 -4.486 411 HG13 VAL 53 HG13 VAL 53 15.925 -23.111 -5.770 412 HG21 VAL 53 HG21 VAL 53 17.556 -21.039 -7.398 413 HG22 VAL 53 HG22 VAL 53 16.691 -22.434 -8.053 414 HG23 VAL 53 HG23 VAL 53 18.408 -22.220 -8.399 415 H THR 54 HN THR 54 20.264 -20.897 -7.565 416 HA THR 54 HA THR 54 22.239 -22.753 -8.739 417 HB THR 54 HB THR 54 22.384 -21.058 -10.600 418 HG1 THR 54 HG1 THR 54 21.707 -19.243 -9.266 419 HG21 THR 54 HG21 THR 54 20.136 -21.477 -11.563 420 HG22 THR 54 HG22 THR 54 19.551 -22.008 -9.984 421 HG23 THR 54 HG23 THR 54 20.796 -22.937 -10.823 422 H HIS 55 HN HIS 55 23.103 -21.940 -6.235 423 HA HIS 55 HA HIS 55 24.163 -19.255 -6.215 424 HB2 HIS 55 HB2 HIS 55 23.139 -20.551 -4.197 425 HB3 HIS 55 HB1 HIS 55 24.695 -21.374 -4.088 426 HD1 HIS 55 HD1 HIS 55 26.802 -19.748 -3.601 427 HD2 HIS 55 HD2 HIS 55 23.045 -18.063 -3.204 428 HE1 HIS 55 HE1 HIS 55 27.152 -17.509 -2.491 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -11.436 22.570 8.394 2 H2 MET 1 HT2 MET 1 -10.453 21.582 9.346 3 H3 MET 1 HT3 MET 1 -12.111 21.290 9.274 4 HA MET 1 HA MET 1 -10.854 19.705 7.958 5 HB2 MET 1 HB2 MET 1 -12.218 19.833 5.939 6 HB3 MET 1 HB1 MET 1 -13.189 20.330 7.319 7 HG2 MET 1 HG2 MET 1 -11.920 22.192 5.290 8 HG3 MET 1 HG1 MET 1 -13.623 21.735 5.357 9 HE1 MET 1 HE1 MET 1 -12.670 24.780 5.259 10 HE2 MET 1 HE2 MET 1 -13.709 25.495 6.491 11 HE3 MET 1 HE3 MET 1 -14.368 24.305 5.370 12 H GLY 2 HN GLY 2 -10.080 19.625 5.470 13 HA2 GLY 2 HA2 GLY 2 -8.416 20.061 3.960 14 HA3 GLY 2 HA1 GLY 2 -8.411 21.732 4.511 15 H SER 3 HN SER 3 -7.743 18.696 6.222 16 HA SER 3 HA SER 3 -5.078 19.707 7.000 17 HB2 SER 3 HB2 SER 3 -6.626 19.404 8.919 18 HB3 SER 3 HB1 SER 3 -6.920 17.727 8.444 19 HG SER 3 HG SER 3 -4.816 17.243 8.941 20 H HIS 4 HN HIS 4 -4.145 18.922 5.183 21 HA HIS 4 HA HIS 4 -3.798 15.979 5.043 22 HB2 HIS 4 HB2 HIS 4 -3.242 18.139 2.983 23 HB3 HIS 4 HB1 HIS 4 -2.539 16.535 2.832 24 HD1 HIS 4 HD1 HIS 4 -4.983 18.148 1.172 25 HD2 HIS 4 HD2 HIS 4 -5.149 14.696 3.475 26 HE1 HIS 4 HE1 HIS 4 -6.951 16.864 0.314 27 HE2 HIS 4 HE2 HIS 4 -7.148 14.875 1.847 28 H LYS 5 HN LYS 5 -2.631 16.481 7.221 29 HA LYS 5 HA LYS 5 0.240 16.480 6.561 30 HB2 LYS 5 HB2 LYS 5 0.708 16.675 8.860 31 HB3 LYS 5 HB1 LYS 5 -0.671 17.728 8.636 32 HG2 LYS 5 HG2 LYS 5 -2.128 15.855 9.521 33 HG3 LYS 5 HG1 LYS 5 -0.647 14.966 9.896 34 HD2 LYS 5 HD2 LYS 5 -1.350 17.702 11.055 35 HD3 LYS 5 HD1 LYS 5 -1.688 16.173 11.863 36 HE2 LYS 5 HE2 LYS 5 0.310 16.971 12.855 37 HE3 LYS 5 HE1 LYS 5 0.843 15.719 11.736 38 HZ1 LYS 5 HZ1 LYS 5 2.245 17.681 11.644 39 HZ2 LYS 5 HZ2 LYS 5 0.921 18.649 11.227 40 HZ3 LYS 5 HZ3 LYS 5 1.463 17.449 10.171 41 H CYS 6 HN CYS 6 1.397 14.558 6.747 42 HA CYS 6 HA CYS 6 -0.104 12.114 6.419 43 HB2 CYS 6 HB2 CYS 6 1.865 12.555 5.016 44 HB3 CYS 6 HB1 CYS 6 2.883 12.683 6.441 45 H ASN 7 HN ASN 7 -0.915 11.362 8.295 46 HA ASN 7 HA ASN 7 -0.354 11.749 10.883 47 HB2 ASN 7 HB2 ASN 7 -2.282 10.467 9.850 48 HB3 ASN 7 HB1 ASN 7 -1.243 9.051 9.768 49 HD21 ASN 7 HD21 ASN 7 -3.754 9.362 11.159 50 HD22 ASN 7 HD22 ASN 7 -3.444 9.055 12.830 51 H VAL 8 HN VAL 8 1.034 9.011 9.048 52 HA VAL 8 HA VAL 8 2.349 7.700 11.160 53 HB VAL 8 HB VAL 8 3.209 7.673 8.218 54 HG11 VAL 8 HG11 VAL 8 4.874 6.606 9.670 55 HG12 VAL 8 HG12 VAL 8 4.054 5.378 8.707 56 HG13 VAL 8 HG13 VAL 8 3.633 5.594 10.407 57 HG21 VAL 8 HG21 VAL 8 1.129 5.913 9.585 58 HG22 VAL 8 HG22 VAL 8 1.695 5.745 7.918 59 HG23 VAL 8 HG23 VAL 8 0.809 7.190 8.410 60 H CYS 9 HN CYS 9 3.561 10.066 8.851 61 HA CYS 9 HA CYS 9 6.263 10.169 9.921 62 HB2 CYS 9 HB2 CYS 9 4.826 11.855 7.845 63 HB3 CYS 9 HB1 CYS 9 6.542 11.973 8.210 64 H SER 10 HN SER 10 3.361 11.975 10.190 65 HA SER 10 HA SER 10 2.495 13.688 11.294 66 HB2 SER 10 HB2 SER 10 3.480 14.683 13.266 67 HB3 SER 10 HB1 SER 10 3.808 12.954 13.306 68 HG SER 10 HG SER 10 5.890 13.333 13.062 69 H ARG 11 HN ARG 11 4.739 13.974 8.984 70 HA ARG 11 HA ARG 11 5.313 16.808 9.078 71 HB2 ARG 11 HB2 ARG 11 7.012 15.287 8.260 72 HB3 ARG 11 HB1 ARG 11 5.898 14.551 7.120 73 HG2 ARG 11 HG2 ARG 11 7.435 15.937 5.918 74 HG3 ARG 11 HG1 ARG 11 5.841 16.672 5.850 75 HD2 ARG 11 HD2 ARG 11 6.492 18.275 7.612 76 HD3 ARG 11 HD1 ARG 11 8.093 17.533 7.702 77 HE ARG 11 HE ARG 11 7.674 18.279 5.054 78 HH11 ARG 11 HH11 ARG 11 7.971 19.946 8.147 79 HH12 ARG 11 HH12 ARG 11 8.695 21.355 7.440 80 HH21 ARG 11 HH21 ARG 11 8.604 20.129 4.163 81 HH22 ARG 11 HH22 ARG 11 9.050 21.461 5.182 82 H THR 12 HN THR 12 4.591 18.309 7.454 83 HA THR 12 HA THR 12 1.769 17.918 6.709 84 HB THR 12 HB THR 12 2.444 19.956 8.017 85 HG1 THR 12 HG1 THR 12 1.472 21.099 5.700 86 HG21 THR 12 HG21 THR 12 4.616 20.468 6.914 87 HG22 THR 12 HG22 THR 12 3.530 21.854 6.884 88 HG23 THR 12 HG23 THR 12 3.757 20.887 5.429 89 H PHE 13 HN PHE 13 0.933 18.563 4.656 90 HA PHE 13 HA PHE 13 2.557 18.211 2.305 91 HB2 PHE 13 HB2 PHE 13 0.532 18.510 1.050 92 HB3 PHE 13 HB1 PHE 13 0.069 17.612 2.485 93 HD1 PHE 13 HD2 PHE 13 -0.263 19.836 4.523 94 HD2 PHE 13 HD1 PHE 13 -1.409 19.683 0.417 95 HE1 PHE 13 HE2 PHE 13 -2.017 21.489 4.945 96 HE2 PHE 13 HE1 PHE 13 -3.158 21.335 0.842 97 HZ PHE 13 HZ PHE 13 -3.475 22.246 3.112 98 H PHE 14 HN PHE 14 2.145 19.886 0.492 99 HA PHE 14 HA PHE 14 1.967 22.690 1.327 100 HB2 PHE 14 HB2 PHE 14 3.986 21.649 -0.731 101 HB3 PHE 14 HB1 PHE 14 3.686 23.348 -0.363 102 HD1 PHE 14 HD2 PHE 14 4.308 24.255 1.907 103 HD2 PHE 14 HD1 PHE 14 5.447 20.319 0.669 104 HE1 PHE 14 HE2 PHE 14 5.965 24.159 3.715 105 HE2 PHE 14 HE1 PHE 14 7.090 20.228 2.495 106 HZ PHE 14 HZ PHE 14 7.355 22.149 4.020 107 H SER 15 HN SER 15 1.985 20.272 -1.230 108 HA SER 15 HA SER 15 -0.424 21.444 -2.490 109 HB2 SER 15 HB2 SER 15 1.571 21.129 -3.979 110 HB3 SER 15 HB1 SER 15 1.548 19.406 -3.607 111 HG SER 15 HG SER 15 0.457 20.097 -5.596 112 H GLU 16 HN GLU 16 -2.264 20.114 -2.678 113 HA GLU 16 HA GLU 16 -2.635 18.324 -0.464 114 HB2 GLU 16 HB2 GLU 16 -4.990 18.120 -1.270 115 HB3 GLU 16 HB1 GLU 16 -4.459 19.788 -1.083 116 HG2 GLU 16 HG2 GLU 16 -4.196 20.050 -3.475 117 HG3 GLU 16 HG1 GLU 16 -4.511 18.333 -3.745 118 H ASN 17 HN ASN 17 -2.272 17.843 -3.947 119 HA ASN 17 HA ASN 17 -2.787 14.993 -3.915 120 HB2 ASN 17 HB2 ASN 17 -1.673 16.933 -5.981 121 HB3 ASN 17 HB1 ASN 17 -1.690 15.197 -6.269 122 HD21 ASN 17 HD21 ASN 17 -3.767 17.996 -5.690 123 HD22 ASN 17 HD22 ASN 17 -5.174 17.313 -6.415 124 H GLY 18 HN GLY 18 -0.071 17.106 -3.393 125 HA2 GLY 18 HA2 GLY 18 2.101 15.362 -3.800 126 HA3 GLY 18 HA1 GLY 18 2.104 16.784 -2.775 127 H LEU 19 HN LEU 19 0.210 16.053 -0.817 128 HA LEU 19 HA LEU 19 1.570 14.373 0.955 129 HB2 LEU 19 HB2 LEU 19 -0.373 16.085 1.337 130 HB3 LEU 19 HB1 LEU 19 -1.449 14.745 1.023 131 HG LEU 19 HG LEU 19 -1.086 15.246 3.461 132 HD11 LEU 19 HD11 LEU 19 -0.829 12.978 4.280 133 HD12 LEU 19 HD12 LEU 19 -0.187 12.457 2.717 134 HD13 LEU 19 HD13 LEU 19 -1.858 13.013 2.849 135 HD21 LEU 19 HD21 LEU 19 1.251 15.934 3.387 136 HD22 LEU 19 HD22 LEU 19 1.749 14.285 3.007 137 HD23 LEU 19 HD23 LEU 19 1.013 14.646 4.570 138 H ARG 20 HN ARG 20 -1.110 13.710 -1.248 139 HA ARG 20 HA ARG 20 -1.643 11.021 -0.456 140 HB2 ARG 20 HB2 ARG 20 -2.395 12.431 -3.037 141 HB3 ARG 20 HB1 ARG 20 -3.083 10.924 -2.433 142 HG2 ARG 20 HG2 ARG 20 -3.765 12.292 -0.335 143 HG3 ARG 20 HG1 ARG 20 -3.419 13.714 -1.319 144 HD2 ARG 20 HD2 ARG 20 -5.403 11.536 -1.960 145 HD3 ARG 20 HD1 ARG 20 -5.796 13.154 -1.375 146 HE ARG 20 HE ARG 20 -4.270 13.199 -3.807 147 HH11 ARG 20 HH11 ARG 20 -7.555 12.881 -2.597 148 HH12 ARG 20 HH12 ARG 20 -8.270 13.368 -4.101 149 HH21 ARG 20 HH21 ARG 20 -5.240 13.789 -5.755 150 HH22 ARG 20 HH22 ARG 20 -6.969 13.885 -5.865 151 H GLU 21 HN GLU 21 0.472 12.464 -2.847 152 HA GLU 21 HA GLU 21 1.144 10.115 -4.306 153 HB2 GLU 21 HB2 GLU 21 1.381 12.412 -5.209 154 HB3 GLU 21 HB1 GLU 21 2.607 12.768 -3.998 155 HG2 GLU 21 HG2 GLU 21 4.112 11.111 -5.002 156 HG3 GLU 21 HG1 GLU 21 2.882 10.684 -6.191 157 H HIS 22 HN HIS 22 2.687 11.992 -1.763 158 HA HIS 22 HA HIS 22 4.902 10.364 -1.196 159 HB2 HIS 22 HB2 HIS 22 5.010 12.567 -0.334 160 HB3 HIS 22 HB1 HIS 22 3.375 12.510 0.315 161 HD1 HIS 22 HD1 HIS 22 6.878 11.282 1.108 162 HD2 HIS 22 HD2 HIS 22 3.151 11.705 2.880 163 HE1 HIS 22 HE1 HIS 22 7.153 10.576 3.518 164 H LEU 23 HN LEU 23 1.544 10.000 -0.341 165 HA LEU 23 HA LEU 23 1.693 8.596 2.071 166 HB2 LEU 23 HB2 LEU 23 -0.310 9.676 0.827 167 HB3 LEU 23 HB1 LEU 23 -0.460 8.131 0.004 168 HG LEU 23 HG LEU 23 -0.761 7.026 2.231 169 HD11 LEU 23 HD11 LEU 23 0.426 8.583 3.672 170 HD12 LEU 23 HD12 LEU 23 -1.238 8.426 4.230 171 HD13 LEU 23 HD13 LEU 23 -0.743 9.857 3.321 172 HD21 LEU 23 HD21 LEU 23 -2.742 9.271 1.666 173 HD22 LEU 23 HD22 LEU 23 -3.073 7.815 2.611 174 HD23 LEU 23 HD23 LEU 23 -2.736 7.682 0.888 175 H GLN 24 HN GLN 24 2.508 7.458 -1.090 176 HA GLN 24 HA GLN 24 1.910 4.666 -0.747 177 HB2 GLN 24 HB2 GLN 24 3.718 6.013 -2.806 178 HB3 GLN 24 HB1 GLN 24 2.984 4.418 -2.925 179 HG2 GLN 24 HG2 GLN 24 0.727 5.508 -2.987 180 HG3 GLN 24 HG1 GLN 24 1.525 7.079 -2.969 181 HE21 GLN 24 HE21 GLN 24 0.685 7.684 -4.980 182 HE22 GLN 24 HE22 GLN 24 1.198 6.967 -6.465 183 H THR 25 HN THR 25 4.545 6.699 0.188 184 HA THR 25 HA THR 25 6.793 5.124 -0.352 185 HB THR 25 HB THR 25 7.989 6.637 1.248 186 HG1 THR 25 HG1 THR 25 5.951 8.341 1.724 187 HG21 THR 25 HG21 THR 25 7.567 8.751 0.052 188 HG22 THR 25 HG22 THR 25 6.072 8.090 -0.607 189 HG23 THR 25 HG23 THR 25 7.626 7.397 -1.081 190 H HIS 26 HN HIS 26 4.546 4.880 2.293 191 HA HIS 26 HA HIS 26 6.277 2.874 3.642 192 HB2 HIS 26 HB2 HIS 26 4.644 3.684 5.698 193 HB3 HIS 26 HB1 HIS 26 6.242 4.346 5.403 194 HD1 HIS 26 HD1 HIS 26 2.628 5.167 4.383 195 HD2 HIS 26 HD2 HIS 26 6.263 7.011 5.213 196 HE1 HIS 26 HE1 HIS 26 2.233 7.658 4.189 197 H ARG 27 HN ARG 27 3.533 3.263 1.849 198 HA ARG 27 HA ARG 27 1.926 1.250 3.250 199 HB2 ARG 27 HB2 ARG 27 0.850 3.289 2.257 200 HB3 ARG 27 HB1 ARG 27 1.317 2.724 0.657 201 HG2 ARG 27 HG2 ARG 27 -0.108 0.743 0.890 202 HG3 ARG 27 HG1 ARG 27 -0.492 1.190 2.553 203 HD2 ARG 27 HD2 ARG 27 -1.227 2.809 0.098 204 HD3 ARG 27 HD1 ARG 27 -2.319 1.734 0.970 205 HE ARG 27 HE ARG 27 -1.216 3.662 2.740 206 HH11 ARG 27 HH11 ARG 27 -3.580 3.411 0.146 207 HH12 ARG 27 HH12 ARG 27 -4.558 4.705 0.757 208 HH21 ARG 27 HH21 ARG 27 -2.543 5.314 3.545 209 HH22 ARG 27 HH22 ARG 27 -3.978 5.773 2.682 210 H GLY 28 HN GLY 28 4.072 1.538 0.518 211 HA2 GLY 28 HA2 GLY 28 5.192 -0.636 -0.032 212 HA3 GLY 28 HA1 GLY 28 3.574 -1.285 -0.289 213 HA PRO 29 HA PRO 29 5.094 0.671 -4.301 214 HB2 PRO 29 HB2 PRO 29 5.924 -1.471 -5.726 215 HB3 PRO 29 HB1 PRO 29 6.972 -0.701 -4.527 216 HG2 PRO 29 HG2 PRO 29 5.342 -3.217 -4.272 217 HG3 PRO 29 HG1 PRO 29 7.007 -2.902 -3.737 218 HD2 PRO 29 HD2 PRO 29 4.779 -2.773 -2.072 219 HD3 PRO 29 HD1 PRO 29 6.306 -1.917 -1.758 220 H ALA 30 HN ALA 30 3.724 0.953 -5.994 221 HA ALA 30 HA ALA 30 1.187 -0.486 -6.121 222 HB1 ALA 30 HB1 ALA 30 0.530 1.252 -7.737 223 HB2 ALA 30 HB2 ALA 30 2.183 1.878 -7.757 224 HB3 ALA 30 HB3 ALA 30 1.221 1.978 -6.284 225 H LYS 31 HN LYS 31 4.238 -0.634 -7.619 226 HA LYS 31 HA LYS 31 3.250 -2.230 -9.927 227 HB2 LYS 31 HB2 LYS 31 5.921 -0.778 -9.688 228 HB3 LYS 31 HB1 LYS 31 5.227 -1.494 -11.139 229 HG2 LYS 31 HG2 LYS 31 3.538 0.233 -11.278 230 HG3 LYS 31 HG1 LYS 31 3.985 0.872 -9.693 231 HD2 LYS 31 HD2 LYS 31 5.684 0.959 -12.223 232 HD3 LYS 31 HD1 LYS 31 4.880 2.322 -11.446 233 HE2 LYS 31 HE2 LYS 31 6.312 2.045 -9.453 234 HE3 LYS 31 HE1 LYS 31 7.138 0.688 -10.227 235 HZ1 LYS 31 HZ1 LYS 31 7.889 2.204 -11.962 236 HZ2 LYS 31 HZ2 LYS 31 8.401 2.726 -10.446 237 HZ3 LYS 31 HZ3 LYS 31 7.104 3.492 -11.202 238 H HIS 32 HN HIS 32 3.496 -4.340 -9.391 239 HA HIS 32 HA HIS 32 5.893 -5.243 -7.863 240 HB2 HIS 32 HB2 HIS 32 3.887 -5.062 -6.385 241 HB3 HIS 32 HB1 HIS 32 2.988 -6.110 -7.468 242 HD1 HIS 32 HD1 HIS 32 2.985 -8.525 -6.862 243 HD2 HIS 32 HD2 HIS 32 6.148 -6.491 -5.089 244 HE1 HIS 32 HE1 HIS 32 4.113 -10.193 -5.368 245 HE2 HIS 32 HE2 HIS 32 5.923 -8.899 -4.198 246 H TYR 33 HN TYR 33 5.263 -5.251 -10.789 247 HA TYR 33 HA TYR 33 4.679 -8.084 -11.375 248 HB2 TYR 33 HB2 TYR 33 4.645 -5.661 -13.229 249 HB3 TYR 33 HB1 TYR 33 4.157 -7.304 -13.664 250 HD1 TYR 33 HD2 TYR 33 2.277 -8.349 -12.070 251 HD2 TYR 33 HD1 TYR 33 2.930 -4.155 -12.574 252 HE1 TYR 33 HE2 TYR 33 -0.010 -7.904 -11.304 253 HE2 TYR 33 HE1 TYR 33 0.646 -3.711 -11.800 254 HH TYR 33 HH TYR 33 -1.529 -4.911 -11.670 255 H MET 34 HN MET 34 6.622 -8.987 -10.991 256 HA MET 34 HA MET 34 9.076 -8.002 -12.268 257 HB2 MET 34 HB2 MET 34 9.108 -8.492 -9.815 258 HB3 MET 34 HB1 MET 34 8.654 -10.156 -10.143 259 HG2 MET 34 HG2 MET 34 10.792 -10.505 -11.338 260 HG3 MET 34 HG1 MET 34 11.236 -8.830 -11.016 261 HE1 MET 34 HE1 MET 34 10.643 -12.392 -9.475 262 HE2 MET 34 HE2 MET 34 9.445 -11.437 -8.604 263 HE3 MET 34 HE3 MET 34 10.852 -12.081 -7.753 264 H CYS 35 HN CYS 35 10.177 -9.245 -13.755 265 HA CYS 35 HA CYS 35 8.813 -11.026 -15.448 266 HB2 CYS 35 HB2 CYS 35 10.624 -9.830 -16.405 267 HB3 CYS 35 HB1 CYS 35 11.703 -10.269 -15.134 268 HA PRO 36 HA PRO 36 9.260 -15.000 -13.256 269 HB2 PRO 36 HB2 PRO 36 9.068 -16.070 -16.077 270 HB3 PRO 36 HB1 PRO 36 8.165 -16.546 -14.624 271 HG2 PRO 36 HG2 PRO 36 6.982 -15.037 -16.472 272 HG3 PRO 36 HG1 PRO 36 6.739 -14.683 -14.750 273 HD2 PRO 36 HD2 PRO 36 8.530 -13.276 -16.732 274 HD3 PRO 36 HD1 PRO 36 7.476 -12.586 -15.471 275 H ILE 37 HN ILE 37 11.098 -14.398 -16.289 276 HA ILE 37 HA ILE 37 12.935 -16.570 -15.712 277 HB ILE 37 HB ILE 37 12.837 -14.692 -18.116 278 HG12 ILE 37 HG12 ILE 37 11.537 -17.448 -17.808 279 HG13 ILE 37 HG11 ILE 37 10.658 -15.925 -17.745 280 HG21 ILE 37 HG21 ILE 37 14.139 -17.427 -17.780 281 HG22 ILE 37 HG22 ILE 37 14.975 -15.883 -17.908 282 HG23 ILE 37 HG23 ILE 37 14.068 -16.499 -19.284 283 HD11 ILE 37 HD11 ILE 37 12.145 -17.028 -20.118 284 HD12 ILE 37 HD12 ILE 37 11.290 -15.483 -20.077 285 HD13 ILE 37 HD13 ILE 37 10.400 -16.996 -19.891 286 H CYS 38 HN CYS 38 13.419 -13.046 -16.531 287 HA CYS 38 HA CYS 38 15.934 -13.145 -15.017 288 HB2 CYS 38 HB2 CYS 38 16.836 -11.462 -16.626 289 HB3 CYS 38 HB1 CYS 38 16.540 -13.040 -17.279 290 H GLY 39 HN GLY 39 12.974 -11.861 -14.606 291 HA2 GLY 39 HA2 GLY 39 12.204 -10.651 -12.917 292 HA3 GLY 39 HA1 GLY 39 13.813 -10.716 -12.213 293 H GLU 40 HN GLU 40 13.116 -9.045 -15.241 294 HA GLU 40 HA GLU 40 13.505 -6.408 -14.360 295 HB2 GLU 40 HB2 GLU 40 11.968 -7.441 -16.791 296 HB3 GLU 40 HB1 GLU 40 12.391 -5.761 -16.518 297 HG2 GLU 40 HG2 GLU 40 13.879 -6.748 -18.131 298 HG3 GLU 40 HG1 GLU 40 14.782 -6.311 -16.691 299 H ARG 41 HN ARG 41 12.162 -5.136 -13.190 300 HA ARG 41 HA ARG 41 9.352 -5.849 -12.801 301 HB2 ARG 41 HB2 ARG 41 9.268 -4.237 -11.021 302 HB3 ARG 41 HB1 ARG 41 10.738 -5.171 -10.834 303 HG2 ARG 41 HG2 ARG 41 10.649 -2.380 -12.002 304 HG3 ARG 41 HG1 ARG 41 10.973 -2.737 -10.310 305 HD2 ARG 41 HD2 ARG 41 12.670 -3.552 -12.685 306 HD3 ARG 41 HD1 ARG 41 13.065 -2.313 -11.492 307 HE ARG 41 HE ARG 41 12.888 -4.350 -9.862 308 HH11 ARG 41 HH11 ARG 41 14.333 -4.396 -13.073 309 HH12 ARG 41 HH12 ARG 41 15.440 -5.671 -12.690 310 HH21 ARG 41 HH21 ARG 41 14.369 -6.019 -9.376 311 HH22 ARG 41 HH22 ARG 41 15.454 -6.595 -10.599 312 H PHE 42 HN PHE 42 7.683 -4.833 -13.725 313 HA PHE 42 HA PHE 42 8.135 -2.432 -15.400 314 HB2 PHE 42 HB2 PHE 42 6.633 -4.992 -16.041 315 HB3 PHE 42 HB1 PHE 42 6.231 -3.491 -16.855 316 HD1 PHE 42 HD1 PHE 42 8.859 -6.063 -16.463 317 HD2 PHE 42 HD2 PHE 42 7.717 -2.489 -18.506 318 HE1 PHE 42 HE1 PHE 42 10.665 -6.402 -18.084 319 HE2 PHE 42 HE2 PHE 42 9.531 -2.839 -20.127 320 HZ PHE 42 HZ PHE 42 11.006 -4.800 -19.919 321 HA PRO 43 HA PRO 43 4.949 -0.360 -13.239 322 HB2 PRO 43 HB2 PRO 43 3.573 1.039 -15.197 323 HB3 PRO 43 HB1 PRO 43 5.179 1.485 -14.606 324 HG2 PRO 43 HG2 PRO 43 4.442 -0.121 -17.051 325 HG3 PRO 43 HG1 PRO 43 5.605 1.218 -16.906 326 HD2 PRO 43 HD2 PRO 43 6.438 -1.335 -16.933 327 HD3 PRO 43 HD1 PRO 43 7.222 -0.141 -15.874 328 H SER 44 HN SER 44 3.865 -2.622 -15.691 329 HA SER 44 HA SER 44 1.290 -2.965 -14.332 330 HB2 SER 44 HB2 SER 44 0.012 -2.703 -16.499 331 HB3 SER 44 HB1 SER 44 0.715 -1.204 -15.911 332 HG SER 44 HG SER 44 1.447 -1.124 -17.896 333 H LEU 45 HN LEU 45 0.050 -4.736 -15.190 334 HA LEU 45 HA LEU 45 1.677 -6.981 -16.159 335 HB2 LEU 45 HB2 LEU 45 -0.207 -6.964 -14.223 336 HB3 LEU 45 HB1 LEU 45 -1.286 -7.230 -15.574 337 HG LEU 45 HG LEU 45 1.035 -9.058 -14.809 338 HD11 LEU 45 HD11 LEU 45 -0.738 -9.115 -13.127 339 HD12 LEU 45 HD12 LEU 45 -0.681 -10.632 -14.021 340 HD13 LEU 45 HD13 LEU 45 -1.942 -9.446 -14.377 341 HD21 LEU 45 HD21 LEU 45 0.087 -10.680 -16.393 342 HD22 LEU 45 HD22 LEU 45 0.564 -9.197 -17.217 343 HD23 LEU 45 HD23 LEU 45 -1.141 -9.507 -16.881 344 H LEU 46 HN LEU 46 1.845 -5.403 -18.020 345 HA LEU 46 HA LEU 46 0.302 -6.271 -20.270 346 HB2 LEU 46 HB2 LEU 46 -0.947 -4.235 -19.124 347 HB3 LEU 46 HB1 LEU 46 0.351 -3.258 -19.772 348 HG LEU 46 HG LEU 46 -1.593 -4.916 -21.433 349 HD11 LEU 46 HD11 LEU 46 -2.579 -2.766 -22.119 350 HD12 LEU 46 HD12 LEU 46 -1.502 -1.916 -21.007 351 HD13 LEU 46 HD13 LEU 46 -2.722 -3.025 -20.379 352 HD21 LEU 46 HD21 LEU 46 -0.697 -3.737 -23.401 353 HD22 LEU 46 HD22 LEU 46 0.552 -4.689 -22.602 354 HD23 LEU 46 HD23 LEU 46 0.506 -2.938 -22.382 355 H THR 47 HN THR 47 2.422 -3.629 -19.099 356 HA THR 47 HA THR 47 4.332 -3.700 -21.167 357 HB THR 47 HB THR 47 5.863 -2.628 -19.376 358 HG1 THR 47 HG1 THR 47 3.676 -2.229 -17.725 359 HG21 THR 47 HG21 THR 47 4.503 -1.217 -20.879 360 HG22 THR 47 HG22 THR 47 4.591 -0.526 -19.258 361 HG23 THR 47 HG23 THR 47 3.129 -1.364 -19.780 362 H LEU 48 HN LEU 48 4.241 -5.389 -18.010 363 HA LEU 48 HA LEU 48 6.631 -6.864 -18.249 364 HB2 LEU 48 HB2 LEU 48 5.210 -6.489 -16.167 365 HB3 LEU 48 HB1 LEU 48 4.095 -7.697 -16.761 366 HG LEU 48 HG LEU 48 5.741 -8.427 -14.920 367 HD11 LEU 48 HD11 LEU 48 5.753 -10.122 -17.431 368 HD12 LEU 48 HD12 LEU 48 4.500 -10.104 -16.190 369 HD13 LEU 48 HD13 LEU 48 6.118 -10.674 -15.792 370 HD21 LEU 48 HD21 LEU 48 8.016 -9.059 -15.566 371 HD22 LEU 48 HD22 LEU 48 7.754 -7.331 -15.775 372 HD23 LEU 48 HD23 LEU 48 7.760 -8.396 -17.185 373 H THR 49 HN THR 49 3.356 -7.461 -19.406 374 HA THR 49 HA THR 49 3.675 -10.119 -20.297 375 HB THR 49 HB THR 49 1.735 -8.026 -21.373 376 HG1 THR 49 HG1 THR 49 0.418 -8.576 -19.698 377 HG21 THR 49 HG21 THR 49 1.818 -10.109 -22.718 378 HG22 THR 49 HG22 THR 49 0.277 -9.938 -21.874 379 HG23 THR 49 HG23 THR 49 1.499 -11.054 -21.262 380 H GLU 50 HN GLU 50 4.060 -7.001 -21.964 381 HA GLU 50 HA GLU 50 4.673 -7.888 -24.552 382 HB2 GLU 50 HB2 GLU 50 5.899 -5.455 -23.187 383 HB3 GLU 50 HB1 GLU 50 5.763 -5.723 -24.921 384 HG2 GLU 50 HG2 GLU 50 3.503 -5.219 -22.978 385 HG3 GLU 50 HG1 GLU 50 4.129 -4.101 -24.164 386 H HIS 51 HN HIS 51 6.825 -7.381 -21.756 387 HA HIS 51 HA HIS 51 9.275 -8.119 -23.040 388 HB2 HIS 51 HB2 HIS 51 9.339 -6.753 -21.038 389 HB3 HIS 51 HB1 HIS 51 8.436 -7.948 -20.114 390 HD1 HIS 51 HD1 HIS 51 11.915 -7.428 -21.608 391 HD2 HIS 51 HD2 HIS 51 9.944 -9.812 -18.838 392 HE1 HIS 51 HE1 HIS 51 13.693 -8.778 -20.428 393 H LYS 52 HN LYS 52 6.760 -9.888 -21.366 394 HA LYS 52 HA LYS 52 8.159 -12.325 -20.892 395 HB2 LYS 52 HB2 LYS 52 6.194 -11.570 -19.593 396 HB3 LYS 52 HB1 LYS 52 5.176 -11.740 -21.013 397 HG2 LYS 52 HG2 LYS 52 5.666 -14.221 -20.980 398 HG3 LYS 52 HG1 LYS 52 6.523 -13.973 -19.452 399 HD2 LYS 52 HD2 LYS 52 4.439 -13.051 -18.450 400 HD3 LYS 52 HD1 LYS 52 3.590 -13.332 -19.969 401 HE2 LYS 52 HE2 LYS 52 4.040 -15.768 -19.729 402 HE3 LYS 52 HE1 LYS 52 4.788 -15.454 -18.167 403 HZ1 LYS 52 HZ1 LYS 52 1.966 -14.860 -18.871 404 HZ2 LYS 52 HZ2 LYS 52 2.687 -14.583 -17.367 405 HZ3 LYS 52 HZ3 LYS 52 2.487 -16.160 -17.937 406 H VAL 53 HN VAL 53 5.966 -11.253 -23.507 407 HA VAL 53 HA VAL 53 5.722 -13.887 -24.651 408 HB VAL 53 HB VAL 53 4.309 -12.806 -26.365 409 HG11 VAL 53 HG11 VAL 53 3.264 -13.495 -24.268 410 HG12 VAL 53 HG12 VAL 53 2.488 -12.031 -24.865 411 HG13 VAL 53 HG13 VAL 53 3.641 -11.936 -23.531 412 HG21 VAL 53 HG21 VAL 53 4.969 -10.161 -25.003 413 HG22 VAL 53 HG22 VAL 53 3.743 -10.392 -26.255 414 HG23 VAL 53 HG23 VAL 53 5.450 -10.639 -26.634 415 H THR 54 HN THR 54 7.388 -10.904 -25.561 416 HA THR 54 HA THR 54 8.751 -12.253 -27.829 417 HB THR 54 HB THR 54 9.543 -9.965 -28.476 418 HG1 THR 54 HG1 THR 54 9.515 -9.019 -26.391 419 HG21 THR 54 HG21 THR 54 6.528 -10.144 -28.062 420 HG22 THR 54 HG22 THR 54 7.428 -10.783 -29.445 421 HG23 THR 54 HG23 THR 54 7.350 -9.043 -29.168 422 H HIS 55 HN HIS 55 9.300 -12.738 -24.944 423 HA HIS 55 HA HIS 55 11.686 -11.798 -24.021 424 HB2 HIS 55 HB2 HIS 55 9.933 -13.621 -23.090 425 HB3 HIS 55 HB1 HIS 55 11.137 -14.756 -23.687 426 HD1 HIS 55 HD1 HIS 55 13.585 -14.512 -22.539 427 HD2 HIS 55 HD2 HIS 55 10.491 -12.412 -20.752 428 HE1 HIS 55 HE1 HIS 55 14.426 -13.820 -20.264 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -11.978 22.527 6.519 2 H2 MET 1 HT2 MET 1 -10.814 22.385 5.308 3 H3 MET 1 HT3 MET 1 -11.573 23.871 5.579 4 HA MET 1 HA MET 1 -9.359 23.877 6.466 5 HB2 MET 1 HB2 MET 1 -11.529 23.847 8.608 6 HB3 MET 1 HB1 MET 1 -9.924 24.537 8.823 7 HG2 MET 1 HG2 MET 1 -12.038 25.516 6.880 8 HG3 MET 1 HG1 MET 1 -11.551 26.294 8.390 9 HE1 MET 1 HE1 MET 1 -10.094 28.697 5.582 10 HE2 MET 1 HE2 MET 1 -11.131 28.612 7.004 11 HE3 MET 1 HE3 MET 1 -11.610 27.795 5.516 12 H GLY 2 HN GLY 2 -7.985 23.149 8.328 13 HA2 GLY 2 HA2 GLY 2 -7.604 21.329 10.003 14 HA3 GLY 2 HA1 GLY 2 -8.200 20.208 8.777 15 H SER 3 HN SER 3 -6.278 19.023 8.622 16 HA SER 3 HA SER 3 -4.299 20.202 6.833 17 HB2 SER 3 HB2 SER 3 -3.438 18.925 9.476 18 HB3 SER 3 HB1 SER 3 -2.351 19.412 8.173 19 HG SER 3 HG SER 3 -3.616 21.550 8.584 20 H HIS 4 HN HIS 4 -5.067 18.700 5.282 21 HA HIS 4 HA HIS 4 -4.620 15.885 5.509 22 HB2 HIS 4 HB2 HIS 4 -4.556 17.697 3.060 23 HB3 HIS 4 HB1 HIS 4 -4.275 15.964 2.949 24 HD1 HIS 4 HD1 HIS 4 -6.978 18.480 3.541 25 HD2 HIS 4 HD2 HIS 4 -6.577 14.352 3.275 26 HE1 HIS 4 HE1 HIS 4 -9.318 17.576 3.484 27 HE2 HIS 4 HE2 HIS 4 -9.046 15.081 3.455 28 H LYS 5 HN LYS 5 -2.826 15.995 6.889 29 HA LYS 5 HA LYS 5 -0.223 15.979 5.522 30 HB2 LYS 5 HB2 LYS 5 -0.364 18.010 6.968 31 HB3 LYS 5 HB1 LYS 5 -0.796 17.017 8.349 32 HG2 LYS 5 HG2 LYS 5 1.396 16.040 8.459 33 HG3 LYS 5 HG1 LYS 5 1.849 16.712 6.887 34 HD2 LYS 5 HD2 LYS 5 2.897 17.979 8.736 35 HD3 LYS 5 HD1 LYS 5 1.783 18.997 7.825 36 HE2 LYS 5 HE2 LYS 5 1.524 19.438 10.192 37 HE3 LYS 5 HE1 LYS 5 0.066 18.648 9.605 38 HZ1 LYS 5 HZ1 LYS 5 0.735 17.757 11.709 39 HZ2 LYS 5 HZ2 LYS 5 2.270 17.364 11.118 40 HZ3 LYS 5 HZ3 LYS 5 0.901 16.563 10.525 41 H CYS 6 HN CYS 6 1.138 14.328 6.275 42 HA CYS 6 HA CYS 6 -0.139 11.877 6.463 43 HB2 CYS 6 HB2 CYS 6 2.134 12.210 5.517 44 HB3 CYS 6 HB1 CYS 6 2.766 12.501 7.136 45 H ASN 7 HN ASN 7 -1.402 11.358 8.234 46 HA ASN 7 HA ASN 7 -0.931 12.075 10.886 47 HB2 ASN 7 HB2 ASN 7 -2.568 10.257 11.492 48 HB3 ASN 7 HB1 ASN 7 -3.128 11.366 10.251 49 HD21 ASN 7 HD21 ASN 7 -4.697 9.732 9.771 50 HD22 ASN 7 HD22 ASN 7 -4.283 8.376 8.785 51 H VAL 8 HN VAL 8 0.556 9.557 9.051 52 HA VAL 8 HA VAL 8 1.545 7.962 11.234 53 HB VAL 8 HB VAL 8 2.684 8.098 8.399 54 HG11 VAL 8 HG11 VAL 8 4.123 6.894 9.952 55 HG12 VAL 8 HG12 VAL 8 3.395 5.770 8.806 56 HG13 VAL 8 HG13 VAL 8 2.771 5.868 10.454 57 HG21 VAL 8 HG21 VAL 8 0.387 6.358 9.387 58 HG22 VAL 8 HG22 VAL 8 1.161 6.230 7.804 59 HG23 VAL 8 HG23 VAL 8 0.277 7.693 8.233 60 H CYS 9 HN CYS 9 3.186 10.262 8.985 61 HA CYS 9 HA CYS 9 5.609 10.297 10.652 62 HB2 CYS 9 HB2 CYS 9 5.121 11.826 8.062 63 HB3 CYS 9 HB1 CYS 9 6.671 11.521 8.837 64 H SER 10 HN SER 10 3.331 12.621 9.284 65 HA SER 10 HA SER 10 2.420 14.563 9.908 66 HB2 SER 10 HB2 SER 10 3.940 14.264 12.534 67 HB3 SER 10 HB1 SER 10 2.703 15.488 12.209 68 HG SER 10 HG SER 10 1.228 13.766 11.867 69 H ARG 11 HN ARG 11 5.403 14.106 8.944 70 HA ARG 11 HA ARG 11 6.919 16.326 9.525 71 HB2 ARG 11 HB2 ARG 11 6.843 14.650 6.998 72 HB3 ARG 11 HB1 ARG 11 8.108 15.823 7.344 73 HG2 ARG 11 HG2 ARG 11 7.480 13.412 9.085 74 HG3 ARG 11 HG1 ARG 11 8.738 13.462 7.846 75 HD2 ARG 11 HD2 ARG 11 8.610 15.232 10.312 76 HD3 ARG 11 HD1 ARG 11 9.653 13.822 10.110 77 HE ARG 11 HE ARG 11 9.982 15.853 8.072 78 HH11 ARG 11 HH11 ARG 11 11.097 14.780 11.222 79 HH12 ARG 11 HH12 ARG 11 12.601 15.634 11.102 80 HH21 ARG 11 HH21 ARG 11 11.941 16.947 7.929 81 HH22 ARG 11 HH22 ARG 11 13.078 16.862 9.236 82 H THR 12 HN THR 12 4.468 16.161 6.797 83 HA THR 12 HA THR 12 4.469 18.860 6.210 84 HB THR 12 HB THR 12 6.928 18.605 5.852 85 HG1 THR 12 HG1 THR 12 6.188 20.248 4.655 86 HG21 THR 12 HG21 THR 12 7.824 17.391 3.881 87 HG22 THR 12 HG22 THR 12 6.207 16.799 3.504 88 HG23 THR 12 HG23 THR 12 7.004 16.280 4.987 89 H PHE 13 HN PHE 13 4.104 19.258 3.800 90 HA PHE 13 HA PHE 13 3.389 17.336 1.936 91 HB2 PHE 13 HB2 PHE 13 0.971 17.801 1.525 92 HB3 PHE 13 HB1 PHE 13 1.218 16.993 3.052 93 HD1 PHE 13 HD1 PHE 13 1.105 18.425 5.207 94 HD2 PHE 13 HD2 PHE 13 -0.207 19.872 1.412 95 HE1 PHE 13 HE1 PHE 13 -0.272 20.137 6.325 96 HE2 PHE 13 HE2 PHE 13 -1.567 21.582 2.531 97 HZ PHE 13 HZ PHE 13 -1.611 21.715 4.990 98 H PHE 14 HN PHE 14 2.963 18.373 -0.149 99 HA PHE 14 HA PHE 14 4.009 21.115 -0.310 100 HB2 PHE 14 HB2 PHE 14 4.826 19.398 -1.931 101 HB3 PHE 14 HB1 PHE 14 3.183 19.141 -2.503 102 HD1 PHE 14 HD1 PHE 14 5.904 21.696 -2.303 103 HD2 PHE 14 HD2 PHE 14 2.296 20.516 -4.274 104 HE1 PHE 14 HE1 PHE 14 6.243 23.452 -3.994 105 HE2 PHE 14 HE2 PHE 14 2.650 22.275 -5.960 106 HZ PHE 14 HZ PHE 14 4.621 23.742 -5.823 107 H SER 15 HN SER 15 1.241 19.252 -1.406 108 HA SER 15 HA SER 15 -0.687 21.243 -0.554 109 HB2 SER 15 HB2 SER 15 -0.114 21.780 -2.997 110 HB3 SER 15 HB1 SER 15 -0.781 20.207 -3.428 111 HG SER 15 HG SER 15 -2.196 22.256 -2.048 112 H GLU 16 HN GLU 16 -3.011 19.948 -1.506 113 HA GLU 16 HA GLU 16 -3.179 17.749 0.308 114 HB2 GLU 16 HB2 GLU 16 -5.140 19.184 -0.321 115 HB3 GLU 16 HB1 GLU 16 -5.094 18.503 -1.944 116 HG2 GLU 16 HG2 GLU 16 -5.554 16.253 -1.000 117 HG3 GLU 16 HG1 GLU 16 -5.652 16.963 0.612 118 H ASN 17 HN ASN 17 -2.653 18.027 -3.184 119 HA ASN 17 HA ASN 17 -2.769 15.216 -3.814 120 HB2 ASN 17 HB2 ASN 17 -3.167 17.090 -5.496 121 HB3 ASN 17 HB1 ASN 17 -1.461 17.486 -5.397 122 HD21 ASN 17 HD21 ASN 17 -3.053 16.705 -7.706 123 HD22 ASN 17 HD22 ASN 17 -2.290 15.305 -8.375 124 H GLY 18 HN GLY 18 -0.330 17.524 -2.892 125 HA2 GLY 18 HA2 GLY 18 2.074 16.139 -3.309 126 HA3 GLY 18 HA1 GLY 18 1.806 17.339 -2.050 127 H LEU 19 HN LEU 19 0.003 16.188 -0.387 128 HA LEU 19 HA LEU 19 1.394 14.250 1.067 129 HB2 LEU 19 HB2 LEU 19 -0.453 15.909 1.802 130 HB3 LEU 19 HB1 LEU 19 -1.599 14.706 1.280 131 HG LEU 19 HG LEU 19 -0.991 14.801 3.802 132 HD11 LEU 19 HD11 LEU 19 -0.796 12.097 2.446 133 HD12 LEU 19 HD12 LEU 19 -2.280 12.930 2.903 134 HD13 LEU 19 HD13 LEU 19 -1.165 12.383 4.153 135 HD21 LEU 19 HD21 LEU 19 1.514 13.369 2.854 136 HD22 LEU 19 HD22 LEU 19 1.017 13.626 4.524 137 HD23 LEU 19 HD23 LEU 19 1.448 15.006 3.523 138 H ARG 20 HN ARG 20 -1.308 13.907 -1.227 139 HA ARG 20 HA ARG 20 -1.800 11.147 -0.970 140 HB2 ARG 20 HB2 ARG 20 -2.037 12.923 -3.434 141 HB3 ARG 20 HB1 ARG 20 -2.685 11.290 -3.336 142 HG2 ARG 20 HG2 ARG 20 -3.523 13.564 -1.510 143 HG3 ARG 20 HG1 ARG 20 -4.384 13.085 -2.970 144 HD2 ARG 20 HD2 ARG 20 -3.905 11.337 -0.531 145 HD3 ARG 20 HD1 ARG 20 -5.426 12.136 -0.950 146 HE ARG 20 HE ARG 20 -4.752 10.580 -3.137 147 HH11 ARG 20 HH11 ARG 20 -5.438 9.945 0.261 148 HH12 ARG 20 HH12 ARG 20 -6.162 8.402 -0.060 149 HH21 ARG 20 HH21 ARG 20 -5.681 8.561 -3.519 150 HH22 ARG 20 HH22 ARG 20 -6.296 7.616 -2.200 151 H GLU 21 HN GLU 21 0.560 12.815 -3.032 152 HA GLU 21 HA GLU 21 1.703 10.603 -4.318 153 HB2 GLU 21 HB2 GLU 21 1.976 13.072 -4.889 154 HB3 GLU 21 HB1 GLU 21 3.122 13.196 -3.565 155 HG2 GLU 21 HG2 GLU 21 3.531 11.289 -5.890 156 HG3 GLU 21 HG1 GLU 21 4.028 12.973 -5.965 157 H HIS 22 HN HIS 22 2.506 12.255 -1.273 158 HA HIS 22 HA HIS 22 4.749 10.676 -0.546 159 HB2 HIS 22 HB2 HIS 22 4.513 12.817 0.565 160 HB3 HIS 22 HB1 HIS 22 2.886 12.429 1.120 161 HD1 HIS 22 HD1 HIS 22 6.471 11.258 1.714 162 HD2 HIS 22 HD2 HIS 22 2.786 11.351 3.627 163 HE1 HIS 22 HE1 HIS 22 6.831 10.246 3.998 164 H LEU 23 HN LEU 23 1.293 10.211 -0.135 165 HA LEU 23 HA LEU 23 1.242 8.572 2.140 166 HB2 LEU 23 HB2 LEU 23 -0.665 9.852 1.072 167 HB3 LEU 23 HB1 LEU 23 -0.748 8.583 -0.133 168 HG LEU 23 HG LEU 23 -1.130 6.954 1.816 169 HD11 LEU 23 HD11 LEU 23 -1.648 9.525 3.336 170 HD12 LEU 23 HD12 LEU 23 -0.346 8.372 3.632 171 HD13 LEU 23 HD13 LEU 23 -2.017 7.891 3.907 172 HD21 LEU 23 HD21 LEU 23 -3.260 9.053 1.262 173 HD22 LEU 23 HD22 LEU 23 -3.546 7.443 1.927 174 HD23 LEU 23 HD23 LEU 23 -2.936 7.616 0.286 175 H GLN 24 HN GLN 24 1.995 7.851 -1.157 176 HA GLN 24 HA GLN 24 1.620 5.073 -1.279 177 HB2 GLN 24 HB2 GLN 24 3.498 6.929 -2.759 178 HB3 GLN 24 HB1 GLN 24 3.276 5.232 -3.178 179 HG2 GLN 24 HG2 GLN 24 1.056 7.298 -3.152 180 HG3 GLN 24 HG1 GLN 24 1.950 6.781 -4.569 181 HE21 GLN 24 HE21 GLN 24 -0.906 6.580 -4.067 182 HE22 GLN 24 HE22 GLN 24 -1.309 4.907 -4.211 183 H THR 25 HN THR 25 3.958 6.818 0.519 184 HA THR 25 HA THR 25 6.052 4.854 0.624 185 HB THR 25 HB THR 25 6.859 6.114 2.634 186 HG1 THR 25 HG1 THR 25 5.139 8.212 2.365 187 HG21 THR 25 HG21 THR 25 7.573 6.889 0.401 188 HG22 THR 25 HG22 THR 25 7.385 8.246 1.513 189 HG23 THR 25 HG23 THR 25 6.144 7.921 0.302 190 H HIS 26 HN HIS 26 2.911 4.998 1.879 191 HA HIS 26 HA HIS 26 3.430 2.978 3.981 192 HB2 HIS 26 HB2 HIS 26 1.143 5.001 3.983 193 HB3 HIS 26 HB1 HIS 26 1.568 3.892 5.283 194 HD1 HIS 26 HD1 HIS 26 3.996 4.399 6.438 195 HD2 HIS 26 HD2 HIS 26 2.341 7.421 4.114 196 HE1 HIS 26 HE1 HIS 26 5.287 6.501 6.963 197 H ARG 27 HN ARG 27 2.737 2.816 0.994 198 HA ARG 27 HA ARG 27 0.031 1.822 0.814 199 HB2 ARG 27 HB2 ARG 27 0.532 1.251 -1.481 200 HB3 ARG 27 HB1 ARG 27 1.283 2.808 -1.145 201 HG2 ARG 27 HG2 ARG 27 3.478 1.755 -0.956 202 HG3 ARG 27 HG1 ARG 27 2.768 0.152 -1.160 203 HD2 ARG 27 HD2 ARG 27 2.048 0.771 -3.453 204 HD3 ARG 27 HD1 ARG 27 2.759 2.373 -3.234 205 HE ARG 27 HE ARG 27 4.886 1.480 -3.435 206 HH11 ARG 27 HH11 ARG 27 2.579 -1.172 -3.438 207 HH12 ARG 27 HH12 ARG 27 3.709 -2.298 -4.117 208 HH21 ARG 27 HH21 ARG 27 6.356 -0.008 -4.293 209 HH22 ARG 27 HH22 ARG 27 5.846 -1.640 -4.608 210 H GLY 28 HN GLY 28 3.113 0.489 1.629 211 HA2 GLY 28 HA2 GLY 28 2.633 -2.279 1.081 212 HA3 GLY 28 HA1 GLY 28 3.915 -1.613 2.079 213 HA PRO 29 HA PRO 29 0.500 -3.802 4.643 214 HB2 PRO 29 HB2 PRO 29 2.627 -5.767 5.357 215 HB3 PRO 29 HB1 PRO 29 0.978 -6.061 4.791 216 HG2 PRO 29 HG2 PRO 29 3.124 -6.522 3.210 217 HG3 PRO 29 HG1 PRO 29 1.584 -5.929 2.551 218 HD2 PRO 29 HD2 PRO 29 4.102 -4.384 3.174 219 HD3 PRO 29 HD1 PRO 29 3.038 -4.279 1.750 220 H ALA 30 HN ALA 30 0.294 -3.444 6.809 221 HA ALA 30 HA ALA 30 2.442 -2.063 8.268 222 HB1 ALA 30 HB1 ALA 30 -0.497 -2.453 8.981 223 HB2 ALA 30 HB2 ALA 30 0.185 -1.028 8.195 224 HB3 ALA 30 HB3 ALA 30 0.653 -1.435 9.847 225 H LYS 31 HN LYS 31 2.637 -4.952 7.743 226 HA LYS 31 HA LYS 31 1.795 -6.363 10.174 227 HB2 LYS 31 HB2 LYS 31 2.961 -7.396 7.547 228 HB3 LYS 31 HB1 LYS 31 2.361 -8.398 8.869 229 HG2 LYS 31 HG2 LYS 31 0.080 -7.546 8.502 230 HG3 LYS 31 HG1 LYS 31 0.668 -6.481 7.225 231 HD2 LYS 31 HD2 LYS 31 -0.384 -8.507 6.285 232 HD3 LYS 31 HD1 LYS 31 1.328 -8.411 5.863 233 HE2 LYS 31 HE2 LYS 31 1.852 -10.027 7.669 234 HE3 LYS 31 HE1 LYS 31 0.136 -10.138 8.064 235 HZ1 LYS 31 HZ1 LYS 31 1.405 -10.926 5.498 236 HZ2 LYS 31 HZ2 LYS 31 -0.251 -10.979 5.816 237 HZ3 LYS 31 HZ3 LYS 31 0.806 -11.970 6.685 238 H HIS 32 HN HIS 32 3.216 -6.637 11.740 239 HA HIS 32 HA HIS 32 5.865 -7.566 11.466 240 HB2 HIS 32 HB2 HIS 32 6.522 -5.328 10.815 241 HB3 HIS 32 HB1 HIS 32 5.537 -4.593 12.071 242 HD1 HIS 32 HD1 HIS 32 6.941 -3.661 13.878 243 HD2 HIS 32 HD2 HIS 32 8.679 -7.079 12.262 244 HE1 HIS 32 HE1 HIS 32 9.051 -4.027 15.178 245 HE2 HIS 32 HE2 HIS 32 9.996 -6.187 14.306 246 H TYR 33 HN TYR 33 6.495 -8.463 13.408 247 HA TYR 33 HA TYR 33 5.343 -7.375 15.889 248 HB2 TYR 33 HB2 TYR 33 4.316 -9.726 15.039 249 HB3 TYR 33 HB1 TYR 33 5.766 -10.368 15.796 250 HD1 TYR 33 HD1 TYR 33 2.704 -8.341 16.449 251 HD2 TYR 33 HD2 TYR 33 5.909 -10.520 18.228 252 HE1 TYR 33 HE1 TYR 33 1.609 -8.180 18.642 253 HE2 TYR 33 HE2 TYR 33 4.810 -10.364 20.416 254 HH TYR 33 HH TYR 33 3.154 -8.902 21.556 255 H MET 34 HN MET 34 6.651 -7.462 17.646 256 HA MET 34 HA MET 34 9.531 -7.975 17.228 257 HB2 MET 34 HB2 MET 34 8.982 -5.631 17.805 258 HB3 MET 34 HB1 MET 34 8.034 -6.156 19.185 259 HG2 MET 34 HG2 MET 34 10.126 -7.039 20.238 260 HG3 MET 34 HG1 MET 34 11.041 -6.387 18.882 261 HE1 MET 34 HE1 MET 34 7.926 -4.798 20.751 262 HE2 MET 34 HE2 MET 34 8.738 -3.775 21.936 263 HE3 MET 34 HE3 MET 34 8.858 -5.532 22.054 264 H CYS 35 HN CYS 35 10.405 -9.637 18.421 265 HA CYS 35 HA CYS 35 8.801 -11.447 19.867 266 HB2 CYS 35 HB2 CYS 35 10.860 -12.168 18.832 267 HB3 CYS 35 HB1 CYS 35 11.799 -11.067 19.804 268 HA PRO 36 HA PRO 36 8.581 -9.280 23.848 269 HB2 PRO 36 HB2 PRO 36 7.665 -11.417 25.364 270 HB3 PRO 36 HB1 PRO 36 6.627 -10.431 24.327 271 HG2 PRO 36 HG2 PRO 36 7.911 -13.095 23.732 272 HG3 PRO 36 HG1 PRO 36 6.244 -12.562 23.424 273 HD2 PRO 36 HD2 PRO 36 8.055 -12.585 21.451 274 HD3 PRO 36 HD1 PRO 36 6.858 -11.270 21.563 275 H ILE 37 HN ILE 37 10.383 -12.283 23.329 276 HA ILE 37 HA ILE 37 11.755 -12.101 25.900 277 HB ILE 37 HB ILE 37 12.056 -14.213 23.730 278 HG12 ILE 37 HG12 ILE 37 10.148 -14.306 26.128 279 HG13 ILE 37 HG11 ILE 37 9.646 -13.959 24.477 280 HG21 ILE 37 HG21 ILE 37 13.852 -14.231 25.394 281 HG22 ILE 37 HG22 ILE 37 12.838 -15.659 25.580 282 HG23 ILE 37 HG23 ILE 37 12.676 -14.308 26.706 283 HD11 ILE 37 HD11 ILE 37 10.372 -16.203 23.795 284 HD12 ILE 37 HD12 ILE 37 9.160 -16.246 25.075 285 HD13 ILE 37 HD13 ILE 37 10.853 -16.543 25.461 286 H CYS 38 HN CYS 38 12.784 -12.351 22.403 287 HA CYS 38 HA CYS 38 15.220 -10.879 23.128 288 HB2 CYS 38 HB2 CYS 38 16.551 -12.355 21.771 289 HB3 CYS 38 HB1 CYS 38 15.704 -13.270 22.979 290 H GLY 39 HN GLY 39 12.575 -10.391 21.422 291 HA2 GLY 39 HA2 GLY 39 11.961 -8.794 19.972 292 HA3 GLY 39 HA1 GLY 39 13.270 -7.913 20.724 293 H GLU 40 HN GLU 40 13.854 -10.576 18.385 294 HA GLU 40 HA GLU 40 14.783 -8.737 16.385 295 HB2 GLU 40 HB2 GLU 40 15.082 -10.735 14.967 296 HB3 GLU 40 HB1 GLU 40 15.876 -10.889 16.520 297 HG2 GLU 40 HG2 GLU 40 13.137 -12.070 16.103 298 HG3 GLU 40 HG1 GLU 40 14.556 -12.894 15.501 299 H ARG 41 HN ARG 41 13.917 -8.635 14.202 300 HA ARG 41 HA ARG 41 11.087 -7.986 14.289 301 HB2 ARG 41 HB2 ARG 41 13.116 -7.629 12.026 302 HB3 ARG 41 HB1 ARG 41 11.510 -6.911 12.095 303 HG2 ARG 41 HG2 ARG 41 12.179 -5.516 13.995 304 HG3 ARG 41 HG1 ARG 41 13.773 -6.282 14.025 305 HD2 ARG 41 HD2 ARG 41 14.178 -5.403 11.710 306 HD3 ARG 41 HD1 ARG 41 12.625 -4.563 11.788 307 HE ARG 41 HE ARG 41 14.042 -3.735 14.011 308 HH11 ARG 41 HH11 ARG 41 14.520 -3.557 10.535 309 HH12 ARG 41 HH12 ARG 41 15.458 -2.102 10.616 310 HH21 ARG 41 HH21 ARG 41 15.282 -1.824 14.107 311 HH22 ARG 41 HH22 ARG 41 15.889 -1.121 12.636 312 H PHE 42 HN PHE 42 9.522 -9.375 13.581 313 HA PHE 42 HA PHE 42 10.110 -11.127 11.262 314 HB2 PHE 42 HB2 PHE 42 8.267 -11.613 13.631 315 HB3 PHE 42 HB1 PHE 42 8.077 -12.490 12.120 316 HD1 PHE 42 HD1 PHE 42 10.248 -12.051 15.065 317 HD2 PHE 42 HD2 PHE 42 9.748 -14.112 11.355 318 HE1 PHE 42 HE1 PHE 42 12.011 -13.632 15.693 319 HE2 PHE 42 HE2 PHE 42 11.521 -15.693 11.996 320 HZ PHE 42 HZ PHE 42 12.659 -15.455 14.170 321 HA PRO 43 HA PRO 43 7.330 -8.619 8.929 322 HB2 PRO 43 HB2 PRO 43 6.591 -10.340 6.935 323 HB3 PRO 43 HB1 PRO 43 8.225 -9.683 7.068 324 HG2 PRO 43 HG2 PRO 43 7.176 -12.347 8.017 325 HG3 PRO 43 HG1 PRO 43 8.636 -12.000 7.060 326 HD2 PRO 43 HD2 PRO 43 8.777 -12.404 9.717 327 HD3 PRO 43 HD1 PRO 43 9.819 -11.204 8.919 328 H SER 44 HN SER 44 6.086 -11.274 10.708 329 HA SER 44 HA SER 44 3.379 -10.194 10.547 330 HB2 SER 44 HB2 SER 44 2.372 -12.442 9.995 331 HB3 SER 44 HB1 SER 44 3.321 -11.769 8.678 332 HG SER 44 HG SER 44 4.092 -13.767 8.784 333 H LEU 45 HN LEU 45 1.917 -11.253 12.015 334 HA LEU 45 HA LEU 45 3.120 -12.213 14.530 335 HB2 LEU 45 HB2 LEU 45 1.079 -10.444 14.087 336 HB3 LEU 45 HB1 LEU 45 0.127 -11.909 14.153 337 HG LEU 45 HG LEU 45 1.862 -10.778 16.385 338 HD11 LEU 45 HD11 LEU 45 -1.158 -10.980 16.184 339 HD12 LEU 45 HD12 LEU 45 -0.194 -9.510 16.050 340 HD13 LEU 45 HD13 LEU 45 -0.246 -10.381 17.579 341 HD21 LEU 45 HD21 LEU 45 1.919 -13.207 16.533 342 HD22 LEU 45 HD22 LEU 45 0.157 -13.282 16.463 343 HD23 LEU 45 HD23 LEU 45 0.961 -12.533 17.848 344 H LEU 46 HN LEU 46 3.649 -13.959 12.653 345 HA LEU 46 HA LEU 46 2.022 -16.334 13.092 346 HB2 LEU 46 HB2 LEU 46 2.661 -15.248 10.307 347 HB3 LEU 46 HB1 LEU 46 2.161 -16.904 10.605 348 HG LEU 46 HG LEU 46 0.458 -14.423 11.064 349 HD11 LEU 46 HD11 LEU 46 0.737 -14.914 8.690 350 HD12 LEU 46 HD12 LEU 46 -0.909 -15.277 9.199 351 HD13 LEU 46 HD13 LEU 46 0.246 -16.589 8.949 352 HD21 LEU 46 HD21 LEU 46 -0.122 -16.126 12.719 353 HD22 LEU 46 HD22 LEU 46 -0.276 -17.349 11.455 354 HD23 LEU 46 HD23 LEU 46 -1.398 -15.989 11.511 355 H THR 47 HN THR 47 4.688 -14.935 11.178 356 HA THR 47 HA THR 47 6.519 -17.073 11.380 357 HB THR 47 HB THR 47 8.245 -15.231 10.825 358 HG1 THR 47 HG1 THR 47 6.200 -13.483 10.145 359 HG21 THR 47 HG21 THR 47 5.822 -15.420 8.992 360 HG22 THR 47 HG22 THR 47 7.159 -16.571 9.045 361 HG23 THR 47 HG23 THR 47 7.448 -14.912 8.527 362 H LEU 48 HN LEU 48 5.952 -14.203 13.424 363 HA LEU 48 HA LEU 48 8.047 -14.588 15.266 364 HB2 LEU 48 HB2 LEU 48 6.576 -12.528 15.020 365 HB3 LEU 48 HB1 LEU 48 5.305 -13.394 15.854 366 HG LEU 48 HG LEU 48 6.668 -11.700 17.227 367 HD11 LEU 48 HD11 LEU 48 5.223 -13.327 18.355 368 HD12 LEU 48 HD12 LEU 48 6.669 -12.981 19.297 369 HD13 LEU 48 HD13 LEU 48 6.550 -14.493 18.394 370 HD21 LEU 48 HD21 LEU 48 8.791 -13.850 17.090 371 HD22 LEU 48 HD22 LEU 48 8.813 -12.449 18.158 372 HD23 LEU 48 HD23 LEU 48 8.886 -12.216 16.418 373 H THR 49 HN THR 49 4.788 -15.911 15.125 374 HA THR 49 HA THR 49 4.698 -17.182 17.638 375 HB THR 49 HB THR 49 3.209 -17.950 15.093 376 HG1 THR 49 HG1 THR 49 1.835 -16.306 15.520 377 HG21 THR 49 HG21 THR 49 2.422 -18.317 18.012 378 HG22 THR 49 HG22 THR 49 2.940 -19.603 16.919 379 HG23 THR 49 HG23 THR 49 1.433 -18.741 16.611 380 H GLU 50 HN GLU 50 5.671 -18.334 14.448 381 HA GLU 50 HA GLU 50 6.314 -21.009 15.017 382 HB2 GLU 50 HB2 GLU 50 7.701 -19.147 13.041 383 HB3 GLU 50 HB1 GLU 50 7.770 -20.908 13.014 384 HG2 GLU 50 HG2 GLU 50 5.321 -19.186 12.524 385 HG3 GLU 50 HG1 GLU 50 6.248 -20.075 11.327 386 H HIS 51 HN HIS 51 8.318 -18.094 15.146 387 HA HIS 51 HA HIS 51 10.734 -19.195 16.074 388 HB2 HIS 51 HB2 HIS 51 10.738 -16.993 15.144 389 HB3 HIS 51 HB1 HIS 51 9.465 -16.439 16.222 390 HD1 HIS 51 HD1 HIS 51 13.147 -17.465 16.416 391 HD2 HIS 51 HD2 HIS 51 10.352 -15.091 18.380 392 HE1 HIS 51 HE1 HIS 51 14.409 -16.203 18.201 393 H LYS 52 HN LYS 52 7.896 -18.013 17.767 394 HA LYS 52 HA LYS 52 9.002 -17.884 20.375 395 HB2 LYS 52 HB2 LYS 52 7.084 -16.523 19.584 396 HB3 LYS 52 HB1 LYS 52 6.091 -17.976 19.505 397 HG2 LYS 52 HG2 LYS 52 6.199 -18.242 21.927 398 HG3 LYS 52 HG1 LYS 52 7.349 -16.910 22.057 399 HD2 LYS 52 HD2 LYS 52 5.058 -16.219 22.711 400 HD3 LYS 52 HD1 LYS 52 5.656 -15.304 21.326 401 HE2 LYS 52 HE2 LYS 52 4.294 -16.631 19.799 402 HE3 LYS 52 HE1 LYS 52 3.784 -17.695 21.114 403 HZ1 LYS 52 HZ1 LYS 52 3.209 -14.786 20.989 404 HZ2 LYS 52 HZ2 LYS 52 2.621 -15.885 22.124 405 HZ3 LYS 52 HZ3 LYS 52 2.130 -15.998 20.515 406 H VAL 53 HN VAL 53 7.178 -20.459 18.698 407 HA VAL 53 HA VAL 53 6.966 -22.113 21.048 408 HB VAL 53 HB VAL 53 6.049 -23.834 19.570 409 HG11 VAL 53 HG11 VAL 53 4.526 -22.093 20.380 410 HG12 VAL 53 HG12 VAL 53 4.043 -22.629 18.771 411 HG13 VAL 53 HG13 VAL 53 4.884 -21.090 18.973 412 HG21 VAL 53 HG21 VAL 53 7.461 -23.542 17.580 413 HG22 VAL 53 HG22 VAL 53 6.693 -21.993 17.238 414 HG23 VAL 53 HG23 VAL 53 5.752 -23.484 17.138 415 H THR 54 HN THR 54 9.249 -21.744 18.445 416 HA THR 54 HA THR 54 10.838 -24.092 19.254 417 HB THR 54 HB THR 54 12.256 -23.518 17.258 418 HG1 THR 54 HG1 THR 54 11.010 -21.184 17.452 419 HG21 THR 54 HG21 THR 54 10.372 -25.088 16.955 420 HG22 THR 54 HG22 THR 54 10.600 -24.107 15.506 421 HG23 THR 54 HG23 THR 54 9.288 -23.733 16.625 422 H HIS 55 HN HIS 55 10.758 -22.089 21.285 423 HA HIS 55 HA HIS 55 12.858 -20.115 20.724 424 HB2 HIS 55 HB2 HIS 55 10.458 -19.672 21.899 425 HB3 HIS 55 HB1 HIS 55 11.351 -20.076 23.358 426 HD1 HIS 55 HD1 HIS 55 13.594 -18.505 23.744 427 HD2 HIS 55 HD2 HIS 55 10.778 -17.183 20.994 428 HE1 HIS 55 HE1 HIS 55 14.145 -16.085 23.259 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -4.050 26.507 0.542 2 H2 MET 1 HT2 MET 1 -5.677 26.923 0.727 3 H3 MET 1 HT3 MET 1 -5.138 26.242 -0.719 4 HA MET 1 HA MET 1 -5.095 24.901 1.906 5 HB2 MET 1 HB2 MET 1 -7.420 25.296 0.997 6 HB3 MET 1 HB1 MET 1 -6.988 24.377 -0.436 7 HG2 MET 1 HG2 MET 1 -7.047 23.276 2.391 8 HG3 MET 1 HG1 MET 1 -8.320 23.062 1.187 9 HE1 MET 1 HE1 MET 1 -8.225 20.352 1.511 10 HE2 MET 1 HE2 MET 1 -7.020 20.631 2.767 11 HE3 MET 1 HE3 MET 1 -6.704 19.459 1.490 12 H GLY 2 HN GLY 2 -3.332 23.716 1.861 13 HA2 GLY 2 HA2 GLY 2 -2.867 21.608 0.000 14 HA3 GLY 2 HA1 GLY 2 -1.740 22.949 -0.260 15 H SER 3 HN SER 3 -3.198 21.308 2.524 16 HA SER 3 HA SER 3 -0.742 20.333 3.540 17 HB2 SER 3 HB2 SER 3 -0.914 21.613 5.757 18 HB3 SER 3 HB1 SER 3 -0.341 22.545 4.377 19 HG SER 3 HG SER 3 -1.923 23.853 4.733 20 H HIS 4 HN HIS 4 -1.546 18.298 3.919 21 HA HIS 4 HA HIS 4 -3.818 17.961 5.750 22 HB2 HIS 4 HB2 HIS 4 -4.472 17.377 3.405 23 HB3 HIS 4 HB1 HIS 4 -3.088 16.309 3.273 24 HD1 HIS 4 HD1 HIS 4 -6.609 16.402 4.304 25 HD2 HIS 4 HD2 HIS 4 -3.358 13.885 4.915 26 HE1 HIS 4 HE1 HIS 4 -7.573 14.227 5.111 27 HE2 HIS 4 HE2 HIS 4 -5.604 12.691 5.357 28 H LYS 5 HN LYS 5 -3.438 15.914 7.105 29 HA LYS 5 HA LYS 5 -0.568 15.876 7.746 30 HB2 LYS 5 HB2 LYS 5 -2.183 16.419 9.566 31 HB3 LYS 5 HB1 LYS 5 -2.937 14.845 9.362 32 HG2 LYS 5 HG2 LYS 5 -0.745 13.775 9.992 33 HG3 LYS 5 HG1 LYS 5 -0.104 15.385 10.311 34 HD2 LYS 5 HD2 LYS 5 -0.730 14.524 12.447 35 HD3 LYS 5 HD1 LYS 5 -1.996 15.673 12.024 36 HE2 LYS 5 HE2 LYS 5 -2.215 12.667 11.665 37 HE3 LYS 5 HE1 LYS 5 -2.826 13.536 13.067 38 HZ1 LYS 5 HZ1 LYS 5 -4.598 13.113 11.542 39 HZ2 LYS 5 HZ2 LYS 5 -3.761 13.830 10.264 40 HZ3 LYS 5 HZ3 LYS 5 -4.288 14.774 11.555 41 H CYS 6 HN CYS 6 0.564 14.241 6.702 42 HA CYS 6 HA CYS 6 -0.465 11.562 6.364 43 HB2 CYS 6 HB2 CYS 6 1.410 12.270 4.949 44 HB3 CYS 6 HB1 CYS 6 2.392 12.634 6.355 45 H ASN 7 HN ASN 7 -1.258 10.891 8.341 46 HA ASN 7 HA ASN 7 -0.635 11.401 10.886 47 HB2 ASN 7 HB2 ASN 7 -2.554 10.049 10.201 48 HB3 ASN 7 HB1 ASN 7 -1.505 8.696 9.793 49 HD21 ASN 7 HD21 ASN 7 -2.499 7.273 11.218 50 HD22 ASN 7 HD22 ASN 7 -2.362 7.418 12.936 51 H VAL 8 HN VAL 8 1.020 8.791 9.080 52 HA VAL 8 HA VAL 8 2.527 7.606 11.110 53 HB VAL 8 HB VAL 8 3.355 7.992 8.189 54 HG11 VAL 8 HG11 VAL 8 4.730 5.945 8.483 55 HG12 VAL 8 HG12 VAL 8 4.313 5.911 10.198 56 HG13 VAL 8 HG13 VAL 8 5.267 7.246 9.550 57 HG21 VAL 8 HG21 VAL 8 1.154 6.956 8.354 58 HG22 VAL 8 HG22 VAL 8 1.777 5.732 9.464 59 HG23 VAL 8 HG23 VAL 8 2.338 5.775 7.788 60 H CYS 9 HN CYS 9 3.266 10.365 9.070 61 HA CYS 9 HA CYS 9 5.932 10.814 10.204 62 HB2 CYS 9 HB2 CYS 9 4.356 12.191 8.006 63 HB3 CYS 9 HB1 CYS 9 5.979 12.647 8.490 64 H SER 10 HN SER 10 2.714 12.108 10.358 65 HA SER 10 HA SER 10 1.603 13.732 11.408 66 HB2 SER 10 HB2 SER 10 2.928 13.134 13.454 67 HB3 SER 10 HB1 SER 10 4.142 14.323 12.988 68 HG SER 10 HG SER 10 2.429 15.908 13.102 69 H ARG 11 HN ARG 11 3.666 14.162 9.076 70 HA ARG 11 HA ARG 11 3.911 17.118 9.180 71 HB2 ARG 11 HB2 ARG 11 5.445 15.200 7.377 72 HB3 ARG 11 HB1 ARG 11 5.782 16.906 7.643 73 HG2 ARG 11 HG2 ARG 11 6.141 14.656 9.656 74 HG3 ARG 11 HG1 ARG 11 7.426 15.510 8.796 75 HD2 ARG 11 HD2 ARG 11 6.893 17.576 9.987 76 HD3 ARG 11 HD1 ARG 11 5.500 16.809 10.759 77 HE ARG 11 HE ARG 11 7.754 15.282 11.384 78 HH11 ARG 11 HH11 ARG 11 6.514 18.493 12.130 79 HH12 ARG 11 HH12 ARG 11 7.332 18.567 13.657 80 HH21 ARG 11 HH21 ARG 11 8.799 15.417 13.367 81 HH22 ARG 11 HH22 ARG 11 8.611 16.823 14.370 82 H THR 12 HN THR 12 4.178 17.831 6.601 83 HA THR 12 HA THR 12 2.035 16.662 4.992 84 HB THR 12 HB THR 12 0.853 18.331 6.404 85 HG1 THR 12 HG1 THR 12 0.986 19.357 3.766 86 HG21 THR 12 HG21 THR 12 1.249 20.752 6.100 87 HG22 THR 12 HG22 THR 12 2.628 20.406 5.055 88 HG23 THR 12 HG23 THR 12 2.681 19.972 6.764 89 H PHE 13 HN PHE 13 1.969 17.407 2.828 90 HA PHE 13 HA PHE 13 4.386 18.708 1.746 91 HB2 PHE 13 HB2 PHE 13 3.383 16.462 0.804 92 HB3 PHE 13 HB1 PHE 13 2.102 17.453 0.129 93 HD1 PHE 13 HD1 PHE 13 2.649 19.133 -1.670 94 HD2 PHE 13 HD2 PHE 13 5.609 16.444 -0.178 95 HE1 PHE 13 HE1 PHE 13 4.059 19.605 -3.615 96 HE2 PHE 13 HE2 PHE 13 7.013 16.914 -2.137 97 HZ PHE 13 HZ PHE 13 6.244 18.496 -3.860 98 H PHE 14 HN PHE 14 4.136 20.645 0.449 99 HA PHE 14 HA PHE 14 2.115 22.472 1.078 100 HB2 PHE 14 HB2 PHE 14 4.141 22.472 -1.186 101 HB3 PHE 14 HB1 PHE 14 3.132 23.858 -0.783 102 HD1 PHE 14 HD2 PHE 14 5.987 21.784 0.333 103 HD2 PHE 14 HD1 PHE 14 3.571 25.197 1.234 104 HE1 PHE 14 HE2 PHE 14 7.649 22.532 1.982 105 HE2 PHE 14 HE1 PHE 14 5.240 25.932 2.890 106 HZ PHE 14 HZ PHE 14 7.277 24.601 3.270 107 H SER 15 HN SER 15 1.641 19.873 -0.925 108 HA SER 15 HA SER 15 -0.793 21.089 -2.064 109 HB2 SER 15 HB2 SER 15 0.729 20.770 -3.936 110 HB3 SER 15 HB1 SER 15 1.119 19.137 -3.406 111 HG SER 15 HG SER 15 -1.456 20.006 -4.246 112 H GLU 16 HN GLU 16 -2.609 19.808 -1.905 113 HA GLU 16 HA GLU 16 -2.731 17.645 -0.082 114 HB2 GLU 16 HB2 GLU 16 -5.048 17.414 -0.655 115 HB3 GLU 16 HB1 GLU 16 -4.695 19.134 -0.626 116 HG2 GLU 16 HG2 GLU 16 -4.886 17.473 -3.177 117 HG3 GLU 16 HG1 GLU 16 -6.230 18.365 -2.478 118 H ASN 17 HN ASN 17 -2.573 17.767 -3.634 119 HA ASN 17 HA ASN 17 -2.813 14.951 -4.101 120 HB2 ASN 17 HB2 ASN 17 -1.835 17.252 -5.838 121 HB3 ASN 17 HB1 ASN 17 -1.838 15.592 -6.414 122 HD21 ASN 17 HD21 ASN 17 -3.813 18.356 -5.674 123 HD22 ASN 17 HD22 ASN 17 -5.278 17.719 -6.330 124 H GLY 18 HN GLY 18 -0.234 17.137 -3.331 125 HA2 GLY 18 HA2 GLY 18 2.006 15.466 -4.063 126 HA3 GLY 18 HA1 GLY 18 2.055 16.925 -3.086 127 H LEU 19 HN LEU 19 0.277 16.199 -1.044 128 HA LEU 19 HA LEU 19 1.756 14.591 0.715 129 HB2 LEU 19 HB2 LEU 19 0.122 16.392 1.304 130 HB3 LEU 19 HB1 LEU 19 -1.179 15.361 0.817 131 HG LEU 19 HG LEU 19 -0.831 15.601 3.336 132 HD11 LEU 19 HD11 LEU 19 -0.705 12.725 2.392 133 HD12 LEU 19 HD12 LEU 19 -2.160 13.713 2.492 134 HD13 LEU 19 HD13 LEU 19 -1.279 13.300 3.960 135 HD21 LEU 19 HD21 LEU 19 1.620 13.881 2.871 136 HD22 LEU 19 HD22 LEU 19 0.944 14.343 4.434 137 HD23 LEU 19 HD23 LEU 19 1.612 15.576 3.373 138 H ARG 20 HN ARG 20 -1.248 13.913 -1.059 139 HA ARG 20 HA ARG 20 -1.623 11.215 -0.546 140 HB2 ARG 20 HB2 ARG 20 -2.068 12.745 -3.142 141 HB3 ARG 20 HB1 ARG 20 -2.655 11.109 -2.879 142 HG2 ARG 20 HG2 ARG 20 -3.478 13.370 -1.034 143 HG3 ARG 20 HG1 ARG 20 -4.300 13.096 -2.568 144 HD2 ARG 20 HD2 ARG 20 -5.538 12.035 -0.773 145 HD3 ARG 20 HD1 ARG 20 -4.885 10.799 -1.847 146 HE ARG 20 HE ARG 20 -3.608 11.491 0.736 147 HH11 ARG 20 HH11 ARG 20 -4.884 9.051 -1.433 148 HH12 ARG 20 HH12 ARG 20 -4.483 7.737 -0.376 149 HH21 ARG 20 HH21 ARG 20 -3.126 9.780 2.106 150 HH22 ARG 20 HH22 ARG 20 -3.486 8.151 1.638 151 H GLU 21 HN GLU 21 0.384 12.651 -3.112 152 HA GLU 21 HA GLU 21 1.385 10.245 -4.195 153 HB2 GLU 21 HB2 GLU 21 1.333 12.408 -5.435 154 HB3 GLU 21 HB1 GLU 21 2.585 13.037 -4.368 155 HG2 GLU 21 HG2 GLU 21 4.151 11.304 -5.174 156 HG3 GLU 21 HG1 GLU 21 2.904 10.656 -6.232 157 H HIS 22 HN HIS 22 2.451 12.257 -1.526 158 HA HIS 22 HA HIS 22 4.954 10.942 -1.075 159 HB2 HIS 22 HB2 HIS 22 4.828 13.083 -0.080 160 HB3 HIS 22 HB1 HIS 22 3.215 12.812 0.560 161 HD1 HIS 22 HD1 HIS 22 6.839 11.893 1.298 162 HD2 HIS 22 HD2 HIS 22 3.087 11.781 3.074 163 HE1 HIS 22 HE1 HIS 22 7.198 11.131 3.687 164 H LEU 23 HN LEU 23 1.640 10.503 0.191 165 HA LEU 23 HA LEU 23 2.350 8.850 2.348 166 HB2 LEU 23 HB2 LEU 23 0.354 10.356 2.108 167 HB3 LEU 23 HB1 LEU 23 -0.376 9.159 1.058 168 HG LEU 23 HG LEU 23 0.464 8.305 3.840 169 HD11 LEU 23 HD11 LEU 23 -2.081 9.853 3.278 170 HD12 LEU 23 HD12 LEU 23 -0.715 10.412 4.246 171 HD13 LEU 23 HD13 LEU 23 -1.675 9.038 4.794 172 HD21 LEU 23 HD21 LEU 23 -1.907 7.534 2.101 173 HD22 LEU 23 HD22 LEU 23 -1.485 6.815 3.657 174 HD23 LEU 23 HD23 LEU 23 -0.415 6.610 2.274 175 H GLN 24 HN GLN 24 1.586 8.099 -0.981 176 HA GLN 24 HA GLN 24 1.027 5.364 -0.752 177 HB2 GLN 24 HB2 GLN 24 1.439 5.193 -3.131 178 HB3 GLN 24 HB1 GLN 24 0.517 6.651 -2.780 179 HG2 GLN 24 HG2 GLN 24 2.526 7.992 -2.959 180 HG3 GLN 24 HG1 GLN 24 3.496 6.552 -3.239 181 HE21 GLN 24 HE21 GLN 24 3.171 8.885 -4.943 182 HE22 GLN 24 HE22 GLN 24 2.574 8.308 -6.456 183 H THR 25 HN THR 25 3.992 6.948 -0.212 184 HA THR 25 HA THR 25 5.850 4.894 -0.955 185 HB THR 25 HB THR 25 7.469 6.095 0.492 186 HG1 THR 25 HG1 THR 25 6.097 8.254 1.184 187 HG21 THR 25 HG21 THR 25 7.478 8.283 -0.656 188 HG22 THR 25 HG22 THR 25 5.827 7.999 -1.207 189 HG23 THR 25 HG23 THR 25 7.140 6.972 -1.784 190 H HIS 26 HN HIS 26 3.704 5.400 1.697 191 HA HIS 26 HA HIS 26 4.997 3.404 3.449 192 HB2 HIS 26 HB2 HIS 26 2.455 5.001 3.994 193 HB3 HIS 26 HB1 HIS 26 3.378 4.053 5.157 194 HD1 HIS 26 HD1 HIS 26 5.675 5.140 5.984 195 HD2 HIS 26 HD2 HIS 26 3.280 7.576 3.621 196 HE1 HIS 26 HE1 HIS 26 6.488 7.504 6.348 197 H ARG 27 HN ARG 27 2.267 3.946 1.350 198 HA ARG 27 HA ARG 27 0.693 1.681 2.012 199 HB2 ARG 27 HB2 ARG 27 -0.168 3.645 0.741 200 HB3 ARG 27 HB1 ARG 27 0.809 3.177 -0.646 201 HG2 ARG 27 HG2 ARG 27 -0.490 1.073 -0.835 202 HG3 ARG 27 HG1 ARG 27 -1.475 1.562 0.547 203 HD2 ARG 27 HD2 ARG 27 -2.651 2.007 -1.559 204 HD3 ARG 27 HD1 ARG 27 -2.276 3.523 -0.731 205 HE ARG 27 HE ARG 27 -0.166 3.204 -2.407 206 HH11 ARG 27 HH11 ARG 27 -3.635 3.196 -2.997 207 HH12 ARG 27 HH12 ARG 27 -3.466 3.781 -4.621 208 HH21 ARG 27 HH21 ARG 27 0.024 3.976 -4.508 209 HH22 ARG 27 HH22 ARG 27 -1.395 4.224 -5.478 210 H GLY 28 HN GLY 28 3.294 2.169 -0.356 211 HA2 GLY 28 HA2 GLY 28 3.454 -0.456 -1.391 212 HA3 GLY 28 HA1 GLY 28 4.791 0.683 -1.280 213 HA PRO 29 HA PRO 29 4.718 -2.824 2.085 214 HB2 PRO 29 HB2 PRO 29 6.254 -4.820 0.973 215 HB3 PRO 29 HB1 PRO 29 4.501 -4.719 0.768 216 HG2 PRO 29 HG2 PRO 29 6.687 -3.840 -1.112 217 HG3 PRO 29 HG1 PRO 29 5.186 -4.726 -1.472 218 HD2 PRO 29 HD2 PRO 29 5.441 -2.040 -1.898 219 HD3 PRO 29 HD1 PRO 29 3.891 -2.785 -1.446 220 H ALA 30 HN ALA 30 6.070 -2.055 3.593 221 HA ALA 30 HA ALA 30 8.833 -1.299 3.097 222 HB1 ALA 30 HB1 ALA 30 7.262 -1.389 5.697 223 HB2 ALA 30 HB2 ALA 30 7.459 0.020 4.660 224 HB3 ALA 30 HB3 ALA 30 8.861 -0.670 5.478 225 H LYS 31 HN LYS 31 10.213 -2.936 2.803 226 HA LYS 31 HA LYS 31 10.261 -5.267 4.554 227 HB2 LYS 31 HB2 LYS 31 9.789 -5.497 1.550 228 HB3 LYS 31 HB1 LYS 31 10.349 -6.843 2.543 229 HG2 LYS 31 HG2 LYS 31 8.272 -6.690 3.894 230 HG3 LYS 31 HG1 LYS 31 7.701 -5.378 2.860 231 HD2 LYS 31 HD2 LYS 31 7.684 -6.913 0.925 232 HD3 LYS 31 HD1 LYS 31 8.281 -8.225 1.949 233 HE2 LYS 31 HE2 LYS 31 6.216 -8.081 3.316 234 HE3 LYS 31 HE1 LYS 31 5.623 -6.779 2.282 235 HZ1 LYS 31 HZ1 LYS 31 6.192 -9.560 1.420 236 HZ2 LYS 31 HZ2 LYS 31 5.629 -8.319 0.423 237 HZ3 LYS 31 HZ3 LYS 31 4.659 -8.896 1.681 238 H HIS 32 HN HIS 32 12.232 -6.432 4.394 239 HA HIS 32 HA HIS 32 14.540 -5.600 3.035 240 HB2 HIS 32 HB2 HIS 32 15.669 -4.193 4.725 241 HB3 HIS 32 HB1 HIS 32 14.160 -3.425 4.245 242 HD1 HIS 32 HD1 HIS 32 16.021 -4.492 7.187 243 HD2 HIS 32 HD2 HIS 32 12.022 -3.842 6.269 244 HE1 HIS 32 HE1 HIS 32 14.845 -4.309 9.389 245 HE2 HIS 32 HE2 HIS 32 12.464 -3.738 8.800 246 H TYR 33 HN TYR 33 16.573 -6.163 4.484 247 HA TYR 33 HA TYR 33 16.032 -8.267 6.457 248 HB2 TYR 33 HB2 TYR 33 18.054 -9.548 5.399 249 HB3 TYR 33 HB1 TYR 33 16.483 -9.689 4.630 250 HD1 TYR 33 HD2 TYR 33 16.063 -8.683 2.407 251 HD2 TYR 33 HD1 TYR 33 19.912 -8.328 4.241 252 HE1 TYR 33 HE2 TYR 33 17.024 -7.980 0.261 253 HE2 TYR 33 HE1 TYR 33 20.869 -7.622 2.091 254 HH TYR 33 HH TYR 33 20.305 -7.899 -0.348 255 H MET 34 HN MET 34 16.775 -7.303 8.209 256 HA MET 34 HA MET 34 19.576 -6.389 8.291 257 HB2 MET 34 HB2 MET 34 18.123 -4.369 8.459 258 HB3 MET 34 HB1 MET 34 17.267 -5.094 9.814 259 HG2 MET 34 HG2 MET 34 19.336 -5.062 11.154 260 HG3 MET 34 HG1 MET 34 20.214 -4.371 9.788 261 HE1 MET 34 HE1 MET 34 20.167 -3.083 12.768 262 HE2 MET 34 HE2 MET 34 20.002 -1.377 12.356 263 HE3 MET 34 HE3 MET 34 21.089 -2.404 11.426 264 H CYS 35 HN CYS 35 20.717 -7.719 9.603 265 HA CYS 35 HA CYS 35 19.412 -9.356 11.626 266 HB2 CYS 35 HB2 CYS 35 21.280 -10.224 10.262 267 HB3 CYS 35 HB1 CYS 35 22.334 -8.964 10.881 268 HA PRO 36 HA PRO 36 18.795 -5.924 14.447 269 HB2 PRO 36 HB2 PRO 36 19.834 -8.011 16.396 270 HB3 PRO 36 HB1 PRO 36 18.509 -6.850 16.610 271 HG2 PRO 36 HG2 PRO 36 18.058 -9.410 15.862 272 HG3 PRO 36 HG1 PRO 36 17.046 -8.075 15.273 273 HD2 PRO 36 HD2 PRO 36 18.954 -9.745 13.776 274 HD3 PRO 36 HD1 PRO 36 17.739 -8.617 13.149 275 H ILE 37 HN ILE 37 21.779 -7.711 15.367 276 HA ILE 37 HA ILE 37 22.950 -5.298 16.488 277 HB ILE 37 HB ILE 37 24.062 -8.140 16.382 278 HG12 ILE 37 HG12 ILE 37 22.517 -6.893 18.708 279 HG13 ILE 37 HG11 ILE 37 21.777 -7.964 17.524 280 HG21 ILE 37 HG21 ILE 37 25.437 -7.439 18.329 281 HG22 ILE 37 HG22 ILE 37 24.807 -5.798 18.169 282 HG23 ILE 37 HG23 ILE 37 25.780 -6.503 16.878 283 HD11 ILE 37 HD11 ILE 37 24.014 -8.673 19.415 284 HD12 ILE 37 HD12 ILE 37 23.298 -9.766 18.227 285 HD13 ILE 37 HD13 ILE 37 22.323 -9.145 19.560 286 H CYS 38 HN CYS 38 23.788 -7.713 13.939 287 HA CYS 38 HA CYS 38 26.238 -6.226 13.302 288 HB2 CYS 38 HB2 CYS 38 27.232 -8.217 12.713 289 HB3 CYS 38 HB1 CYS 38 26.082 -8.813 13.895 290 H GLY 39 HN GLY 39 23.382 -7.642 11.575 291 HA2 GLY 39 HA2 GLY 39 22.291 -6.843 9.747 292 HA3 GLY 39 HA1 GLY 39 23.437 -5.528 9.659 293 H GLU 40 HN GLU 40 24.308 -8.947 9.539 294 HA GLU 40 HA GLU 40 25.611 -8.916 7.088 295 HB2 GLU 40 HB2 GLU 40 24.335 -11.247 8.556 296 HB3 GLU 40 HB1 GLU 40 25.379 -11.434 7.152 297 HG2 GLU 40 HG2 GLU 40 26.173 -10.191 9.784 298 HG3 GLU 40 HG1 GLU 40 26.597 -11.799 9.243 299 H ARG 41 HN ARG 41 24.955 -8.832 5.027 300 HA ARG 41 HA ARG 41 22.219 -8.715 4.254 301 HB2 ARG 41 HB2 ARG 41 23.089 -8.331 1.998 302 HB3 ARG 41 HB1 ARG 41 24.031 -7.412 3.158 303 HG2 ARG 41 HG2 ARG 41 25.489 -9.790 2.929 304 HG3 ARG 41 HG1 ARG 41 24.907 -9.530 1.290 305 HD2 ARG 41 HD2 ARG 41 26.513 -7.555 2.950 306 HD3 ARG 41 HD1 ARG 41 27.152 -8.564 1.650 307 HE ARG 41 HE ARG 41 25.037 -6.561 1.114 308 HH11 ARG 41 HH11 ARG 41 28.235 -7.814 0.435 309 HH12 ARG 41 HH12 ARG 41 28.546 -6.668 -0.822 310 HH21 ARG 41 HH21 ARG 41 25.482 -5.063 -0.548 311 HH22 ARG 41 HH22 ARG 41 27.010 -5.125 -1.374 312 H PHE 42 HN PHE 42 20.896 -10.288 3.446 313 HA PHE 42 HA PHE 42 22.000 -12.803 2.397 314 HB2 PHE 42 HB2 PHE 42 19.958 -12.557 4.644 315 HB3 PHE 42 HB1 PHE 42 20.020 -13.995 3.630 316 HD1 PHE 42 HD2 PHE 42 22.124 -15.376 3.519 317 HD2 PHE 42 HD1 PHE 42 21.639 -12.252 6.396 318 HE1 PHE 42 HE2 PHE 42 23.984 -16.300 4.835 319 HE2 PHE 42 HE1 PHE 42 23.501 -13.173 7.685 320 HZ PHE 42 HZ PHE 42 24.681 -15.196 6.924 321 HA PRO 43 HA PRO 43 19.337 -12.398 -1.076 322 HB2 PRO 43 HB2 PRO 43 18.278 -14.981 -1.389 323 HB3 PRO 43 HB1 PRO 43 19.912 -14.493 -1.871 324 HG2 PRO 43 HG2 PRO 43 19.025 -15.802 0.709 325 HG3 PRO 43 HG1 PRO 43 20.378 -16.242 -0.360 326 HD2 PRO 43 HD2 PRO 43 20.873 -14.838 1.831 327 HD3 PRO 43 HD1 PRO 43 21.672 -14.372 0.310 328 H SER 44 HN SER 44 17.855 -13.542 1.887 329 HA SER 44 HA SER 44 15.278 -12.385 1.257 330 HB2 SER 44 HB2 SER 44 15.489 -15.405 1.706 331 HB3 SER 44 HB1 SER 44 13.984 -14.493 1.614 332 HG SER 44 HG SER 44 15.147 -13.853 -0.568 333 H LEU 45 HN LEU 45 13.768 -12.625 3.107 334 HA LEU 45 HA LEU 45 15.160 -12.408 5.680 335 HB2 LEU 45 HB2 LEU 45 13.457 -10.675 4.906 336 HB3 LEU 45 HB1 LEU 45 12.212 -11.907 5.046 337 HG LEU 45 HG LEU 45 12.701 -12.065 7.515 338 HD11 LEU 45 HD11 LEU 45 14.524 -9.685 7.019 339 HD12 LEU 45 HD12 LEU 45 15.038 -11.299 7.516 340 HD13 LEU 45 HD13 LEU 45 14.060 -10.316 8.604 341 HD21 LEU 45 HD21 LEU 45 11.974 -9.275 6.552 342 HD22 LEU 45 HD22 LEU 45 11.603 -9.955 8.140 343 HD23 LEU 45 HD23 LEU 45 10.861 -10.637 6.696 344 H LEU 46 HN LEU 46 15.558 -14.803 5.147 345 HA LEU 46 HA LEU 46 13.931 -16.452 6.912 346 HB2 LEU 46 HB2 LEU 46 13.047 -16.780 4.501 347 HB3 LEU 46 HB1 LEU 46 14.621 -17.422 4.085 348 HG LEU 46 HG LEU 46 12.725 -18.688 6.117 349 HD11 LEU 46 HD11 LEU 46 13.217 -19.506 3.236 350 HD12 LEU 46 HD12 LEU 46 11.742 -18.788 3.883 351 HD13 LEU 46 HD13 LEU 46 12.237 -20.395 4.410 352 HD21 LEU 46 HD21 LEU 46 15.259 -19.831 4.884 353 HD22 LEU 46 HD22 LEU 46 14.133 -20.723 5.912 354 HD23 LEU 46 HD23 LEU 46 15.034 -19.359 6.570 355 H THR 47 HN THR 47 16.524 -16.609 4.453 356 HA THR 47 HA THR 47 18.409 -18.039 5.891 357 HB THR 47 HB THR 47 19.196 -15.846 3.927 358 HG1 THR 47 HG1 THR 47 18.017 -18.344 3.181 359 HG21 THR 47 HG21 THR 47 20.122 -18.731 4.225 360 HG22 THR 47 HG22 THR 47 20.998 -17.316 4.816 361 HG23 THR 47 HG23 THR 47 20.763 -17.548 3.080 362 H LEU 48 HN LEU 48 17.778 -14.560 5.794 363 HA LEU 48 HA LEU 48 19.760 -13.618 7.545 364 HB2 LEU 48 HB2 LEU 48 18.260 -12.244 6.034 365 HB3 LEU 48 HB1 LEU 48 16.922 -12.549 7.120 366 HG LEU 48 HG LEU 48 18.000 -10.239 7.281 367 HD11 LEU 48 HD11 LEU 48 17.882 -10.010 9.704 368 HD12 LEU 48 HD12 LEU 48 17.985 -11.759 9.906 369 HD13 LEU 48 HD13 LEU 48 16.577 -11.043 9.124 370 HD21 LEU 48 HD21 LEU 48 20.291 -11.723 8.598 371 HD22 LEU 48 HD22 LEU 48 20.096 -9.970 8.502 372 HD23 LEU 48 HD23 LEU 48 20.341 -10.907 7.030 373 H THR 49 HN THR 49 16.523 -14.950 8.160 374 HA THR 49 HA THR 49 16.345 -14.303 10.908 375 HB THR 49 HB THR 49 14.877 -16.496 9.387 376 HG1 THR 49 HG1 THR 49 13.507 -14.933 8.702 377 HG21 THR 49 HG21 THR 49 14.546 -16.578 11.853 378 HG22 THR 49 HG22 THR 49 13.066 -16.127 11.006 379 HG23 THR 49 HG23 THR 49 14.021 -14.891 11.824 380 H GLU 50 HN GLU 50 17.183 -17.316 9.218 381 HA GLU 50 HA GLU 50 17.778 -18.987 11.376 382 HB2 GLU 50 HB2 GLU 50 19.063 -18.945 8.604 383 HB3 GLU 50 HB1 GLU 50 19.128 -20.292 9.735 384 HG2 GLU 50 HG2 GLU 50 16.580 -19.209 8.499 385 HG3 GLU 50 HG1 GLU 50 17.487 -20.588 7.886 386 H HIS 51 HN HIS 51 19.826 -16.648 9.628 387 HA HIS 51 HA HIS 51 22.246 -17.226 11.019 388 HB2 HIS 51 HB2 HIS 51 22.515 -16.167 8.922 389 HB3 HIS 51 HB1 HIS 51 21.278 -14.958 9.254 390 HD1 HIS 51 HD1 HIS 51 24.843 -15.798 10.359 391 HD2 HIS 51 HD2 HIS 51 22.175 -12.634 10.195 392 HE1 HIS 51 HE1 HIS 51 26.069 -13.781 11.267 393 H LYS 52 HN LYS 52 19.665 -14.821 11.644 394 HA LYS 52 HA LYS 52 21.289 -13.130 13.222 395 HB2 LYS 52 HB2 LYS 52 19.389 -11.779 13.620 396 HB3 LYS 52 HB1 LYS 52 19.185 -12.419 11.998 397 HG2 LYS 52 HG2 LYS 52 17.472 -13.940 12.733 398 HG3 LYS 52 HG1 LYS 52 17.802 -13.581 14.430 399 HD2 LYS 52 HD2 LYS 52 17.161 -11.138 13.851 400 HD3 LYS 52 HD1 LYS 52 16.495 -11.793 12.353 401 HE2 LYS 52 HE2 LYS 52 15.673 -12.607 15.157 402 HE3 LYS 52 HE1 LYS 52 14.773 -11.503 14.114 403 HZ1 LYS 52 HZ1 LYS 52 14.453 -13.295 12.547 404 HZ2 LYS 52 HZ2 LYS 52 13.862 -13.724 14.067 405 HZ3 LYS 52 HZ3 LYS 52 15.335 -14.356 13.529 406 H VAL 53 HN VAL 53 19.275 -15.858 14.075 407 HA VAL 53 HA VAL 53 18.964 -15.263 16.849 408 HB VAL 53 HB VAL 53 18.035 -17.550 17.013 409 HG11 VAL 53 HG11 VAL 53 16.550 -15.750 16.235 410 HG12 VAL 53 HG12 VAL 53 16.132 -17.273 15.455 411 HG13 VAL 53 HG13 VAL 53 17.035 -16.045 14.563 412 HG21 VAL 53 HG21 VAL 53 17.877 -19.024 15.018 413 HG22 VAL 53 HG22 VAL 53 19.553 -18.753 15.481 414 HG23 VAL 53 HG23 VAL 53 18.879 -17.891 14.098 415 H THR 54 HN THR 54 21.332 -16.998 14.972 416 HA THR 54 HA THR 54 22.559 -18.447 17.105 417 HB THR 54 HB THR 54 24.292 -19.083 15.483 418 HG1 THR 54 HG1 THR 54 23.592 -16.761 14.301 419 HG21 THR 54 HG21 THR 54 22.126 -20.277 15.367 420 HG22 THR 54 HG22 THR 54 22.870 -20.149 13.773 421 HG23 THR 54 HG23 THR 54 21.524 -19.090 14.206 422 H HIS 55 HN HIS 55 22.587 -15.231 17.074 423 HA HIS 55 HA HIS 55 25.405 -14.706 17.545 424 HB2 HIS 55 HB2 HIS 55 22.863 -13.062 17.684 425 HB3 HIS 55 HB1 HIS 55 24.319 -12.464 18.469 426 HD1 HIS 55 HD1 HIS 55 26.129 -11.498 16.998 427 HD2 HIS 55 HD2 HIS 55 23.070 -13.250 14.816 428 HE1 HIS 55 HE1 HIS 55 26.523 -10.856 14.603 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -9.919 23.284 4.488 2 H2 MET 1 HT2 MET 1 -10.678 22.127 3.528 3 H3 MET 1 HT3 MET 1 -9.867 23.411 2.801 4 HA MET 1 HA MET 1 -8.576 21.423 2.628 5 HB2 MET 1 HB2 MET 1 -7.391 23.356 4.673 6 HB3 MET 1 HB1 MET 1 -6.483 22.274 3.624 7 HG2 MET 1 HG2 MET 1 -8.245 24.505 2.579 8 HG3 MET 1 HG1 MET 1 -6.520 24.688 2.897 9 HE1 MET 1 HE1 MET 1 -5.173 22.076 1.962 10 HE2 MET 1 HE2 MET 1 -4.623 23.673 1.448 11 HE3 MET 1 HE3 MET 1 -4.874 22.397 0.254 12 H GLY 2 HN GLY 2 -7.840 22.191 6.034 13 HA2 GLY 2 HA2 GLY 2 -9.004 20.999 7.881 14 HA3 GLY 2 HA1 GLY 2 -8.840 19.531 6.913 15 H SER 3 HN SER 3 -7.139 18.313 7.444 16 HA SER 3 HA SER 3 -4.504 19.577 7.722 17 HB2 SER 3 HB2 SER 3 -5.522 17.448 9.670 18 HB3 SER 3 HB1 SER 3 -3.867 18.065 9.598 19 HG SER 3 HG SER 3 -5.429 20.172 9.799 20 H HIS 4 HN HIS 4 -4.074 18.883 5.695 21 HA HIS 4 HA HIS 4 -3.902 16.031 5.077 22 HB2 HIS 4 HB2 HIS 4 -2.908 18.432 3.477 23 HB3 HIS 4 HB1 HIS 4 -2.923 16.764 2.910 24 HD1 HIS 4 HD1 HIS 4 -5.173 15.788 2.164 25 HD2 HIS 4 HD2 HIS 4 -5.455 19.686 3.571 26 HE1 HIS 4 HE1 HIS 4 -7.471 16.566 1.527 27 HE2 HIS 4 HE2 HIS 4 -7.519 18.993 2.180 28 H LYS 5 HN LYS 5 -2.694 15.757 7.056 29 HA LYS 5 HA LYS 5 0.217 16.254 6.858 30 HB2 LYS 5 HB2 LYS 5 -0.804 17.192 8.897 31 HB3 LYS 5 HB1 LYS 5 -1.582 15.657 9.258 32 HG2 LYS 5 HG2 LYS 5 0.664 14.631 9.607 33 HG3 LYS 5 HG1 LYS 5 1.407 16.203 9.310 34 HD2 LYS 5 HD2 LYS 5 -0.534 15.574 11.573 35 HD3 LYS 5 HD1 LYS 5 1.221 15.670 11.738 36 HE2 LYS 5 HE2 LYS 5 1.159 18.045 11.108 37 HE3 LYS 5 HE1 LYS 5 -0.591 17.961 10.895 38 HZ1 LYS 5 HZ1 LYS 5 -0.024 18.903 13.029 39 HZ2 LYS 5 HZ2 LYS 5 0.874 17.536 13.442 40 HZ3 LYS 5 HZ3 LYS 5 -0.797 17.421 13.252 41 H CYS 6 HN CYS 6 1.535 14.457 6.568 42 HA CYS 6 HA CYS 6 0.406 11.818 6.351 43 HB2 CYS 6 HB2 CYS 6 2.336 12.443 4.934 44 HB3 CYS 6 HB1 CYS 6 3.312 12.745 6.370 45 H ASN 7 HN ASN 7 -0.465 11.325 8.362 46 HA ASN 7 HA ASN 7 0.421 11.780 10.909 47 HB2 ASN 7 HB2 ASN 7 -1.053 9.294 9.942 48 HB3 ASN 7 HB1 ASN 7 -0.938 9.799 11.624 49 HD21 ASN 7 HD21 ASN 7 -3.139 10.032 11.893 50 HD22 ASN 7 HD22 ASN 7 -4.062 11.279 11.129 51 H VAL 8 HN VAL 8 1.479 9.129 8.819 52 HA VAL 8 HA VAL 8 2.826 7.496 10.681 53 HB VAL 8 HB VAL 8 3.638 7.884 7.758 54 HG11 VAL 8 HG11 VAL 8 4.017 5.494 9.612 55 HG12 VAL 8 HG12 VAL 8 5.280 6.584 9.036 56 HG13 VAL 8 HG13 VAL 8 4.438 5.536 7.896 57 HG21 VAL 8 HG21 VAL 8 2.078 6.042 7.195 58 HG22 VAL 8 HG22 VAL 8 1.233 7.437 7.866 59 HG23 VAL 8 HG23 VAL 8 1.505 6.012 8.868 60 H CYS 9 HN CYS 9 4.033 10.137 8.674 61 HA CYS 9 HA CYS 9 6.684 10.212 9.878 62 HB2 CYS 9 HB2 CYS 9 5.293 12.014 7.874 63 HB3 CYS 9 HB1 CYS 9 6.935 12.261 8.434 64 H SER 10 HN SER 10 3.668 11.714 10.317 65 HA SER 10 HA SER 10 2.686 13.293 11.506 66 HB2 SER 10 HB2 SER 10 3.540 14.094 13.616 67 HB3 SER 10 HB1 SER 10 4.009 12.401 13.471 68 HG SER 10 HG SER 10 6.058 12.963 13.278 69 H ARG 11 HN ARG 11 4.689 13.833 9.214 70 HA ARG 11 HA ARG 11 5.208 16.716 9.515 71 HB2 ARG 11 HB2 ARG 11 6.068 14.772 7.323 72 HB3 ARG 11 HB1 ARG 11 6.610 16.442 7.489 73 HG2 ARG 11 HG2 ARG 11 7.150 14.214 9.488 74 HG3 ARG 11 HG1 ARG 11 8.297 14.810 8.285 75 HD2 ARG 11 HD2 ARG 11 8.381 16.981 9.362 76 HD3 ARG 11 HD1 ARG 11 7.088 16.528 10.479 77 HE ARG 11 HE ARG 11 8.959 14.647 10.973 78 HH11 ARG 11 HH11 ARG 11 9.221 18.151 10.855 79 HH12 ARG 11 HH12 ARG 11 10.454 18.202 12.070 80 HH21 ARG 11 HH21 ARG 11 10.570 14.745 12.547 81 HH22 ARG 11 HH22 ARG 11 11.237 16.280 13.011 82 H THR 12 HN THR 12 4.878 18.068 7.466 83 HA THR 12 HA THR 12 2.022 17.822 6.773 84 HB THR 12 HB THR 12 2.824 19.925 7.917 85 HG1 THR 12 HG1 THR 12 1.876 20.562 5.312 86 HG21 THR 12 HG21 THR 12 4.208 20.507 5.265 87 HG22 THR 12 HG22 THR 12 5.028 20.183 6.794 88 HG23 THR 12 HG23 THR 12 4.039 21.631 6.616 89 H PHE 13 HN PHE 13 1.259 18.220 4.681 90 HA PHE 13 HA PHE 13 2.793 17.608 2.362 91 HB2 PHE 13 HB2 PHE 13 0.769 18.070 1.105 92 HB3 PHE 13 HB1 PHE 13 0.305 17.218 2.565 93 HD1 PHE 13 HD2 PHE 13 0.325 19.654 4.505 94 HD2 PHE 13 HD1 PHE 13 -1.261 19.174 0.575 95 HE1 PHE 13 HE2 PHE 13 -1.315 21.434 4.938 96 HE2 PHE 13 HE1 PHE 13 -2.886 20.954 1.014 97 HZ PHE 13 HZ PHE 13 -2.920 22.086 3.192 98 H PHE 14 HN PHE 14 2.303 19.167 0.374 99 HA PHE 14 HA PHE 14 2.890 22.002 0.941 100 HB2 PHE 14 HB2 PHE 14 4.940 20.973 0.019 101 HB3 PHE 14 HB1 PHE 14 4.027 20.236 -1.291 102 HD1 PHE 14 HD1 PHE 14 5.026 23.555 0.124 103 HD2 PHE 14 HD2 PHE 14 3.757 21.407 -3.351 104 HE1 PHE 14 HE1 PHE 14 5.460 25.537 -1.266 105 HE2 PHE 14 HE2 PHE 14 4.203 23.395 -4.733 106 HZ PHE 14 HZ PHE 14 5.054 25.462 -3.694 107 H SER 15 HN SER 15 1.972 19.774 -1.715 108 HA SER 15 HA SER 15 -0.590 21.216 -2.120 109 HB2 SER 15 HB2 SER 15 -0.646 20.043 -4.322 110 HB3 SER 15 HB1 SER 15 0.797 21.041 -4.152 111 HG SER 15 HG SER 15 1.410 19.061 -4.968 112 H GLU 16 HN GLU 16 -2.527 19.858 -2.350 113 HA GLU 16 HA GLU 16 -2.715 17.847 -0.332 114 HB2 GLU 16 HB2 GLU 16 -4.681 18.634 -2.517 115 HB3 GLU 16 HB1 GLU 16 -5.069 17.563 -1.170 116 HG2 GLU 16 HG2 GLU 16 -4.661 19.386 0.416 117 HG3 GLU 16 HG1 GLU 16 -4.217 20.463 -0.908 118 H ASN 17 HN ASN 17 -2.303 17.766 -3.824 119 HA ASN 17 HA ASN 17 -2.764 14.944 -4.191 120 HB2 ASN 17 HB2 ASN 17 -1.314 16.960 -5.970 121 HB3 ASN 17 HB1 ASN 17 -1.772 15.329 -6.454 122 HD21 ASN 17 HD21 ASN 17 -3.136 15.898 -8.112 123 HD22 ASN 17 HD22 ASN 17 -4.612 16.773 -7.885 124 H GLY 18 HN GLY 18 -0.086 17.053 -3.458 125 HA2 GLY 18 HA2 GLY 18 2.110 15.317 -3.809 126 HA3 GLY 18 HA1 GLY 18 2.054 16.712 -2.743 127 H LEU 19 HN LEU 19 0.076 15.987 -0.932 128 HA LEU 19 HA LEU 19 1.270 14.218 0.859 129 HB2 LEU 19 HB2 LEU 19 -0.621 15.971 1.205 130 HB3 LEU 19 HB1 LEU 19 -1.728 14.700 0.779 131 HG LEU 19 HG LEU 19 -1.431 15.121 3.274 132 HD11 LEU 19 HD11 LEU 19 -1.453 12.782 3.976 133 HD12 LEU 19 HD12 LEU 19 -0.838 12.282 2.399 134 HD13 LEU 19 HD13 LEU 19 -2.433 13.026 2.528 135 HD21 LEU 19 HD21 LEU 19 0.537 14.217 4.421 136 HD22 LEU 19 HD22 LEU 19 0.982 15.518 3.322 137 HD23 LEU 19 HD23 LEU 19 1.291 13.839 2.870 138 H ARG 20 HN ARG 20 -1.316 13.619 -1.534 139 HA ARG 20 HA ARG 20 -1.880 10.924 -0.937 140 HB2 ARG 20 HB2 ARG 20 -2.060 12.348 -3.620 141 HB3 ARG 20 HB1 ARG 20 -2.812 10.797 -3.253 142 HG2 ARG 20 HG2 ARG 20 -3.470 13.443 -1.919 143 HG3 ARG 20 HG1 ARG 20 -4.418 12.658 -3.177 144 HD2 ARG 20 HD2 ARG 20 -3.913 11.613 -0.367 145 HD3 ARG 20 HD1 ARG 20 -5.435 12.252 -0.998 146 HE ARG 20 HE ARG 20 -4.370 9.926 -2.395 147 HH11 ARG 20 HH11 ARG 20 -6.599 11.047 0.073 148 HH12 ARG 20 HH12 ARG 20 -7.444 9.536 0.152 149 HH21 ARG 20 HH21 ARG 20 -5.480 7.944 -2.262 150 HH22 ARG 20 HH22 ARG 20 -6.821 7.784 -1.168 151 H GLU 21 HN GLU 21 0.385 12.284 -3.338 152 HA GLU 21 HA GLU 21 1.380 9.924 -4.437 153 HB2 GLU 21 HB2 GLU 21 1.714 12.170 -5.429 154 HB3 GLU 21 HB1 GLU 21 2.746 12.628 -4.080 155 HG2 GLU 21 HG2 GLU 21 4.404 10.930 -4.784 156 HG3 GLU 21 HG1 GLU 21 3.367 10.489 -6.141 157 H HIS 22 HN HIS 22 2.471 11.838 -1.685 158 HA HIS 22 HA HIS 22 4.699 10.268 -0.893 159 HB2 HIS 22 HB2 HIS 22 4.469 12.616 -0.267 160 HB3 HIS 22 HB1 HIS 22 2.965 12.300 0.582 161 HD1 HIS 22 HD1 HIS 22 4.975 13.796 2.164 162 HD2 HIS 22 HD2 HIS 22 4.985 9.657 2.045 163 HE1 HIS 22 HE1 HIS 22 5.924 13.007 4.361 164 H LEU 23 HN LEU 23 1.247 10.157 -0.123 165 HA LEU 23 HA LEU 23 1.255 8.730 2.270 166 HB2 LEU 23 HB2 LEU 23 -0.653 10.011 1.128 167 HB3 LEU 23 HB1 LEU 23 -0.930 8.560 0.185 168 HG LEU 23 HG LEU 23 -1.298 7.308 2.337 169 HD11 LEU 23 HD11 LEU 23 -0.076 8.736 3.886 170 HD12 LEU 23 HD12 LEU 23 -1.751 8.588 4.407 171 HD13 LEU 23 HD13 LEU 23 -1.207 10.065 3.607 172 HD21 LEU 23 HD21 LEU 23 -3.581 8.176 2.732 173 HD22 LEU 23 HD22 LEU 23 -3.225 8.102 1.010 174 HD23 LEU 23 HD23 LEU 23 -3.181 9.654 1.849 175 H GLN 24 HN GLN 24 1.396 7.613 -1.051 176 HA GLN 24 HA GLN 24 0.771 4.876 -0.590 177 HB2 GLN 24 HB2 GLN 24 2.064 6.220 -2.976 178 HB3 GLN 24 HB1 GLN 24 1.428 4.577 -2.944 179 HG2 GLN 24 HG2 GLN 24 -0.240 7.068 -2.470 180 HG3 GLN 24 HG1 GLN 24 -0.086 6.242 -4.000 181 HE21 GLN 24 HE21 GLN 24 -2.340 5.862 -4.111 182 HE22 GLN 24 HE22 GLN 24 -3.131 4.702 -3.106 183 H THR 25 HN THR 25 3.685 6.668 -0.172 184 HA THR 25 HA THR 25 5.558 4.533 -0.625 185 HB THR 25 HB THR 25 6.018 7.136 -0.629 186 HG1 THR 25 HG1 THR 25 7.606 5.654 -1.188 187 HG21 THR 25 HG21 THR 25 7.163 7.913 1.392 188 HG22 THR 25 HG22 THR 25 6.770 6.403 2.214 189 HG23 THR 25 HG23 THR 25 5.484 7.517 1.753 190 H HIS 26 HN HIS 26 3.342 5.059 1.845 191 HA HIS 26 HA HIS 26 4.899 3.498 3.825 192 HB2 HIS 26 HB2 HIS 26 2.364 5.152 4.202 193 HB3 HIS 26 HB1 HIS 26 3.168 4.232 5.478 194 HD1 HIS 26 HD1 HIS 26 5.773 5.014 5.913 195 HD2 HIS 26 HD2 HIS 26 3.294 7.663 3.902 196 HE1 HIS 26 HE1 HIS 26 6.915 7.259 6.006 197 H ARG 27 HN ARG 27 2.191 3.295 1.640 198 HA ARG 27 HA ARG 27 1.031 0.894 2.484 199 HB2 ARG 27 HB2 ARG 27 0.224 2.626 0.797 200 HB3 ARG 27 HB1 ARG 27 1.377 1.960 -0.345 201 HG2 ARG 27 HG2 ARG 27 0.136 -0.231 -0.197 202 HG3 ARG 27 HG1 ARG 27 -1.063 0.583 0.813 203 HD2 ARG 27 HD2 ARG 27 -1.393 2.234 -1.066 204 HD3 ARG 27 HD1 ARG 27 -0.349 1.219 -2.063 205 HE ARG 27 HE ARG 27 -2.109 -0.593 -1.470 206 HH11 ARG 27 HH11 ARG 27 -2.799 2.795 -2.050 207 HH12 ARG 27 HH12 ARG 27 -4.389 2.489 -2.663 208 HH21 ARG 27 HH21 ARG 27 -4.224 -0.969 -2.303 209 HH22 ARG 27 HH22 ARG 27 -5.191 0.383 -2.802 210 H GLY 28 HN GLY 28 3.870 0.528 2.748 211 HA2 GLY 28 HA2 GLY 28 4.456 -1.986 2.072 212 HA3 GLY 28 HA1 GLY 28 4.896 -1.120 0.600 213 HA PRO 29 HA PRO 29 8.404 -0.789 3.811 214 HB2 PRO 29 HB2 PRO 29 10.083 -2.756 3.002 215 HB3 PRO 29 HB1 PRO 29 8.717 -3.094 4.077 216 HG2 PRO 29 HG2 PRO 29 8.921 -3.483 1.095 217 HG3 PRO 29 HG1 PRO 29 8.294 -4.603 2.324 218 HD2 PRO 29 HD2 PRO 29 6.678 -3.002 0.791 219 HD3 PRO 29 HD1 PRO 29 6.238 -3.530 2.430 220 H ALA 30 HN ALA 30 10.533 0.044 3.352 221 HA ALA 30 HA ALA 30 10.900 1.345 0.811 222 HB1 ALA 30 HB1 ALA 30 12.795 1.136 3.182 223 HB2 ALA 30 HB2 ALA 30 11.644 2.441 2.885 224 HB3 ALA 30 HB3 ALA 30 13.005 2.199 1.788 225 H LYS 31 HN LYS 31 10.943 -0.369 -0.654 226 HA LYS 31 HA LYS 31 13.500 -1.840 -0.869 227 HB2 LYS 31 HB2 LYS 31 10.719 -3.053 -1.170 228 HB3 LYS 31 HB1 LYS 31 12.165 -3.821 -1.818 229 HG2 LYS 31 HG2 LYS 31 11.664 -3.205 1.117 230 HG3 LYS 31 HG1 LYS 31 11.487 -4.789 0.353 231 HD2 LYS 31 HD2 LYS 31 13.898 -4.818 -0.175 232 HD3 LYS 31 HD1 LYS 31 14.087 -3.209 0.526 233 HE2 LYS 31 HE2 LYS 31 14.859 -4.965 2.066 234 HE3 LYS 31 HE1 LYS 31 13.484 -4.089 2.740 235 HZ1 LYS 31 HZ1 LYS 31 12.049 -5.907 2.072 236 HZ2 LYS 31 HZ2 LYS 31 13.291 -6.467 3.071 237 HZ3 LYS 31 HZ3 LYS 31 13.366 -6.737 1.407 238 H HIS 32 HN HIS 32 11.292 0.229 -2.236 239 HA HIS 32 HA HIS 32 12.220 -0.310 -5.000 240 HB2 HIS 32 HB2 HIS 32 10.171 0.865 -5.777 241 HB3 HIS 32 HB1 HIS 32 9.779 -0.554 -4.824 242 HD1 HIS 32 HD1 HIS 32 8.968 2.929 -5.188 243 HD2 HIS 32 HD2 HIS 32 8.992 0.233 -2.028 244 HE1 HIS 32 HE1 HIS 32 7.502 3.936 -3.427 245 HE2 HIS 32 HE2 HIS 32 7.671 2.376 -1.470 246 H TYR 33 HN TYR 33 14.168 0.754 -4.463 247 HA TYR 33 HA TYR 33 14.238 3.287 -3.127 248 HB2 TYR 33 HB2 TYR 33 16.397 1.536 -4.359 249 HB3 TYR 33 HB1 TYR 33 16.757 3.092 -3.605 250 HD1 TYR 33 HD1 TYR 33 15.600 -0.371 -2.950 251 HD2 TYR 33 HD2 TYR 33 16.577 3.392 -1.189 252 HE1 TYR 33 HE1 TYR 33 15.597 -1.409 -0.724 253 HE2 TYR 33 HE2 TYR 33 16.592 2.347 1.029 254 HH TYR 33 HH TYR 33 15.706 0.427 2.164 255 H MET 34 HN MET 34 13.779 5.108 -4.030 256 HA MET 34 HA MET 34 14.326 5.630 -6.885 257 HB2 MET 34 HB2 MET 34 11.935 5.739 -6.173 258 HB3 MET 34 HB1 MET 34 12.350 6.960 -4.980 259 HG2 MET 34 HG2 MET 34 12.972 8.522 -6.757 260 HG3 MET 34 HG1 MET 34 12.650 7.287 -7.977 261 HE1 MET 34 HE1 MET 34 9.338 9.166 -5.332 262 HE2 MET 34 HE2 MET 34 11.034 9.644 -5.242 263 HE3 MET 34 HE3 MET 34 10.538 8.039 -4.699 264 H CYS 35 HN CYS 35 15.705 7.255 -7.373 265 HA CYS 35 HA CYS 35 17.618 8.158 -5.546 266 HB2 CYS 35 HB2 CYS 35 18.122 7.974 -7.908 267 HB3 CYS 35 HB1 CYS 35 16.897 9.114 -8.326 268 HA PRO 36 HA PRO 36 15.222 11.644 -3.757 269 HB2 PRO 36 HB2 PRO 36 17.824 12.169 -2.344 270 HB3 PRO 36 HB1 PRO 36 16.203 11.949 -1.666 271 HG2 PRO 36 HG2 PRO 36 18.030 10.021 -1.433 272 HG3 PRO 36 HG1 PRO 36 16.332 9.615 -1.761 273 HD2 PRO 36 HD2 PRO 36 18.656 9.734 -3.694 274 HD3 PRO 36 HD1 PRO 36 17.394 8.488 -3.523 275 H ILE 37 HN ILE 37 18.339 11.747 -5.363 276 HA ILE 37 HA ILE 37 18.618 14.593 -5.386 277 HB ILE 37 HB ILE 37 20.108 12.489 -7.015 278 HG12 ILE 37 HG12 ILE 37 20.890 13.652 -4.286 279 HG13 ILE 37 HG11 ILE 37 20.214 12.043 -4.523 280 HG21 ILE 37 HG21 ILE 37 20.420 14.769 -7.864 281 HG22 ILE 37 HG22 ILE 37 21.911 14.169 -7.145 282 HG23 ILE 37 HG23 ILE 37 20.906 15.322 -6.265 283 HD11 ILE 37 HD11 ILE 37 22.857 13.020 -5.623 284 HD12 ILE 37 HD12 ILE 37 22.184 11.399 -5.811 285 HD13 ILE 37 HD13 ILE 37 22.631 11.986 -4.210 286 H CYS 38 HN CYS 38 18.082 12.228 -8.133 287 HA CYS 38 HA CYS 38 16.588 14.365 -9.491 288 HB2 CYS 38 HB2 CYS 38 17.514 13.702 -11.602 289 HB3 CYS 38 HB1 CYS 38 18.804 14.089 -10.498 290 H GLY 39 HN GLY 39 16.741 10.648 -9.432 291 HA2 GLY 39 HA2 GLY 39 14.775 9.874 -8.221 292 HA3 GLY 39 HA1 GLY 39 13.805 10.891 -9.271 293 H GLU 40 HN GLU 40 16.415 8.629 -10.088 294 HA GLU 40 HA GLU 40 14.866 6.958 -11.762 295 HB2 GLU 40 HB2 GLU 40 17.604 6.563 -10.473 296 HB3 GLU 40 HB1 GLU 40 16.933 5.479 -11.679 297 HG2 GLU 40 HG2 GLU 40 18.595 6.986 -12.633 298 HG3 GLU 40 HG1 GLU 40 17.013 7.232 -13.358 299 H ARG 41 HN ARG 41 13.522 5.362 -11.151 300 HA ARG 41 HA ARG 41 13.481 4.289 -8.438 301 HB2 ARG 41 HB2 ARG 41 11.422 4.828 -9.874 302 HB3 ARG 41 HB1 ARG 41 11.822 3.437 -10.859 303 HG2 ARG 41 HG2 ARG 41 11.153 3.297 -7.895 304 HG3 ARG 41 HG1 ARG 41 9.979 3.074 -9.187 305 HD2 ARG 41 HD2 ARG 41 11.529 1.160 -9.996 306 HD3 ARG 41 HD1 ARG 41 12.286 1.280 -8.405 307 HE ARG 41 HE ARG 41 9.410 0.993 -8.340 308 HH11 ARG 41 HH11 ARG 41 12.467 -0.729 -8.288 309 HH12 ARG 41 HH12 ARG 41 11.751 -2.207 -7.732 310 HH21 ARG 41 HH21 ARG 41 8.486 -0.936 -7.653 311 HH22 ARG 41 HH22 ARG 41 9.482 -2.332 -7.366 312 H PHE 42 HN PHE 42 14.626 2.552 -7.874 313 HA PHE 42 HA PHE 42 15.774 0.726 -9.904 314 HB2 PHE 42 HB2 PHE 42 16.982 1.836 -7.338 315 HB3 PHE 42 HB1 PHE 42 17.625 0.392 -8.113 316 HD1 PHE 42 HD2 PHE 42 18.208 0.606 -10.667 317 HD2 PHE 42 HD1 PHE 42 17.846 3.937 -8.023 318 HE1 PHE 42 HE2 PHE 42 19.583 1.962 -12.189 319 HE2 PHE 42 HE1 PHE 42 19.216 5.287 -9.549 320 HZ PHE 42 HZ PHE 42 20.094 4.305 -11.626 321 HA PRO 43 HA PRO 43 13.741 -2.653 -7.906 322 HB2 PRO 43 HB2 PRO 43 15.439 -4.757 -8.328 323 HB3 PRO 43 HB1 PRO 43 14.572 -3.969 -9.654 324 HG2 PRO 43 HG2 PRO 43 17.413 -3.521 -8.727 325 HG3 PRO 43 HG1 PRO 43 16.806 -3.783 -10.379 326 HD2 PRO 43 HD2 PRO 43 17.331 -1.301 -9.440 327 HD3 PRO 43 HD1 PRO 43 15.990 -1.607 -10.567 328 H SER 44 HN SER 44 16.907 -1.687 -6.707 329 HA SER 44 HA SER 44 16.410 -2.740 -4.066 330 HB2 SER 44 HB2 SER 44 18.508 -4.158 -4.056 331 HB3 SER 44 HB1 SER 44 17.242 -4.782 -5.105 332 HG SER 44 HG SER 44 19.274 -4.804 -6.141 333 H LEU 45 HN LEU 45 18.208 -2.294 -2.606 334 HA LEU 45 HA LEU 45 19.654 0.192 -3.183 335 HB2 LEU 45 HB2 LEU 45 18.439 -0.345 -0.957 336 HB3 LEU 45 HB1 LEU 45 19.800 -1.382 -0.588 337 HG LEU 45 HG LEU 45 19.808 0.976 0.426 338 HD11 LEU 45 HD11 LEU 45 21.841 -0.377 0.435 339 HD12 LEU 45 HD12 LEU 45 22.221 1.325 0.194 340 HD13 LEU 45 HD13 LEU 45 22.262 0.214 -1.176 341 HD21 LEU 45 HD21 LEU 45 19.035 2.222 -1.531 342 HD22 LEU 45 HD22 LEU 45 20.528 1.831 -2.388 343 HD23 LEU 45 HD23 LEU 45 20.575 2.848 -0.946 344 H LEU 46 HN LEU 46 20.720 -0.974 -4.897 345 HA LEU 46 HA LEU 46 23.393 -1.822 -4.149 346 HB2 LEU 46 HB2 LEU 46 21.535 -3.615 -5.788 347 HB3 LEU 46 HB1 LEU 46 23.282 -3.745 -5.883 348 HG LEU 46 HG LEU 46 21.632 -4.255 -3.373 349 HD11 LEU 46 HD11 LEU 46 22.995 -6.248 -5.214 350 HD12 LEU 46 HD12 LEU 46 21.256 -6.000 -5.047 351 HD13 LEU 46 HD13 LEU 46 22.185 -6.626 -3.689 352 HD21 LEU 46 HD21 LEU 46 23.873 -3.422 -2.811 353 HD22 LEU 46 HD22 LEU 46 24.612 -4.641 -3.851 354 HD23 LEU 46 HD23 LEU 46 23.729 -5.131 -2.405 355 H THR 47 HN THR 47 21.071 -1.667 -6.825 356 HA THR 47 HA THR 47 22.835 -0.498 -8.731 357 HB THR 47 HB THR 47 20.610 -0.104 -9.987 358 HG1 THR 47 HG1 THR 47 19.186 -1.838 -8.509 359 HG21 THR 47 HG21 THR 47 20.293 -2.504 -10.477 360 HG22 THR 47 HG22 THR 47 21.216 -2.930 -9.035 361 HG23 THR 47 HG23 THR 47 22.015 -2.114 -10.381 362 H LEU 48 HN LEU 48 20.326 0.851 -6.559 363 HA LEU 48 HA LEU 48 20.500 3.549 -7.295 364 HB2 LEU 48 HB2 LEU 48 18.780 2.518 -5.760 365 HB3 LEU 48 HB1 LEU 48 19.980 2.462 -4.492 366 HG LEU 48 HG LEU 48 18.237 4.340 -4.352 367 HD11 LEU 48 HD11 LEU 48 20.247 4.436 -2.976 368 HD12 LEU 48 HD12 LEU 48 19.768 6.048 -3.503 369 HD13 LEU 48 HD13 LEU 48 21.131 5.235 -4.280 370 HD21 LEU 48 HD21 LEU 48 19.857 5.593 -6.593 371 HD22 LEU 48 HD22 LEU 48 18.563 6.375 -5.681 372 HD23 LEU 48 HD23 LEU 48 18.198 5.001 -6.719 373 H THR 49 HN THR 49 22.492 1.647 -5.070 374 HA THR 49 HA THR 49 24.181 3.659 -4.083 375 HB THR 49 HB THR 49 24.898 0.735 -4.543 376 HG1 THR 49 HG1 THR 49 23.818 0.299 -2.739 377 HG21 THR 49 HG21 THR 49 26.443 1.036 -2.641 378 HG22 THR 49 HG22 THR 49 26.004 2.742 -2.535 379 HG23 THR 49 HG23 THR 49 26.857 2.137 -3.960 380 H GLU 50 HN GLU 50 24.456 1.632 -6.956 381 HA GLU 50 HA GLU 50 27.015 2.482 -7.866 382 HB2 GLU 50 HB2 GLU 50 24.678 1.390 -9.489 383 HB3 GLU 50 HB1 GLU 50 26.332 1.550 -10.083 384 HG2 GLU 50 HG2 GLU 50 27.094 -0.057 -8.364 385 HG3 GLU 50 HG1 GLU 50 25.439 -0.219 -7.784 386 H HIS 51 HN HIS 51 23.762 3.728 -8.401 387 HA HIS 51 HA HIS 51 24.390 5.602 -10.447 388 HB2 HIS 51 HB2 HIS 51 22.146 4.731 -10.258 389 HB3 HIS 51 HB1 HIS 51 22.003 5.279 -8.590 390 HD1 HIS 51 HD1 HIS 51 22.507 6.914 -12.038 391 HD2 HIS 51 HD2 HIS 51 20.618 7.549 -8.394 392 HE1 HIS 51 HE1 HIS 51 21.267 9.115 -12.245 393 H LYS 52 HN LYS 52 23.820 6.006 -6.944 394 HA LYS 52 HA LYS 52 23.907 8.816 -6.870 395 HB2 LYS 52 HB2 LYS 52 24.065 8.591 -4.413 396 HB3 LYS 52 HB1 LYS 52 22.861 7.498 -5.088 397 HG2 LYS 52 HG2 LYS 52 24.535 5.650 -4.962 398 HG3 LYS 52 HG1 LYS 52 25.646 6.749 -4.149 399 HD2 LYS 52 HD2 LYS 52 22.896 5.976 -3.105 400 HD3 LYS 52 HD1 LYS 52 24.408 5.218 -2.610 401 HE2 LYS 52 HE2 LYS 52 25.180 7.477 -1.786 402 HE3 LYS 52 HE1 LYS 52 23.563 8.096 -2.134 403 HZ1 LYS 52 HZ1 LYS 52 23.845 7.431 0.185 404 HZ2 LYS 52 HZ2 LYS 52 24.164 5.844 -0.304 405 HZ3 LYS 52 HZ3 LYS 52 22.646 6.527 -0.585 406 H VAL 53 HN VAL 53 26.520 6.423 -6.584 407 HA VAL 53 HA VAL 53 28.492 8.275 -5.644 408 HB VAL 53 HB VAL 53 30.118 6.471 -5.970 409 HG11 VAL 53 HG11 VAL 53 29.159 4.782 -4.428 410 HG12 VAL 53 HG12 VAL 53 27.550 5.456 -4.698 411 HG13 VAL 53 HG13 VAL 53 28.791 6.429 -3.912 412 HG21 VAL 53 HG21 VAL 53 29.331 5.492 -8.081 413 HG22 VAL 53 HG22 VAL 53 27.877 4.890 -7.288 414 HG23 VAL 53 HG23 VAL 53 29.456 4.232 -6.850 415 H THR 54 HN THR 54 27.428 7.193 -8.809 416 HA THR 54 HA THR 54 29.638 8.601 -10.169 417 HB THR 54 HB THR 54 28.660 7.569 -12.257 418 HG1 THR 54 HG1 THR 54 27.189 5.683 -10.926 419 HG21 THR 54 HG21 THR 54 29.354 5.604 -10.043 420 HG22 THR 54 HG22 THR 54 30.516 6.449 -11.070 421 HG23 THR 54 HG23 THR 54 29.409 5.269 -11.774 422 H HIS 55 HN HIS 55 26.959 9.684 -8.817 423 HA HIS 55 HA HIS 55 25.563 11.142 -10.745 424 HB2 HIS 55 HB2 HIS 55 25.490 10.905 -7.922 425 HB3 HIS 55 HB1 HIS 55 25.785 12.615 -8.183 426 HD1 HIS 55 HD1 HIS 55 23.981 13.639 -10.124 427 HD2 HIS 55 HD2 HIS 55 22.909 10.289 -7.928 428 HE1 HIS 55 HE1 HIS 55 21.474 13.448 -10.307 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -6.364 26.751 -0.442 2 H2 MET 1 HT2 MET 1 -6.403 25.246 -1.213 3 H3 MET 1 HT3 MET 1 -5.065 26.259 -1.406 4 HA MET 1 HA MET 1 -4.494 26.054 0.891 5 HB2 MET 1 HB2 MET 1 -6.943 24.228 0.995 6 HB3 MET 1 HB1 MET 1 -5.742 24.318 2.278 7 HG2 MET 1 HG2 MET 1 -6.296 26.716 2.598 8 HG3 MET 1 HG1 MET 1 -7.545 26.570 1.356 9 HE1 MET 1 HE1 MET 1 -9.358 27.539 3.143 10 HE2 MET 1 HE2 MET 1 -8.074 27.660 4.347 11 HE3 MET 1 HE3 MET 1 -9.581 26.843 4.747 12 H GLY 2 HN GLY 2 -3.948 23.600 1.913 13 HA2 GLY 2 HA2 GLY 2 -3.593 21.349 0.426 14 HA3 GLY 2 HA1 GLY 2 -2.256 22.385 -0.088 15 H SER 3 HN SER 3 -3.824 21.010 2.764 16 HA SER 3 HA SER 3 -1.348 20.362 4.028 17 HB2 SER 3 HB2 SER 3 -1.551 22.766 4.712 18 HB3 SER 3 HB1 SER 3 -3.141 22.435 5.395 19 HG SER 3 HG SER 3 -1.672 20.690 6.561 20 H HIS 4 HN HIS 4 -1.998 18.215 4.287 21 HA HIS 4 HA HIS 4 -4.176 17.669 6.150 22 HB2 HIS 4 HB2 HIS 4 -5.076 17.222 3.857 23 HB3 HIS 4 HB1 HIS 4 -3.662 16.235 3.483 24 HD1 HIS 4 HD1 HIS 4 -3.493 13.908 4.737 25 HD2 HIS 4 HD2 HIS 4 -7.110 15.895 5.208 26 HE1 HIS 4 HE1 HIS 4 -5.094 12.186 5.599 27 HE2 HIS 4 HE2 HIS 4 -7.308 13.372 5.739 28 H LYS 5 HN LYS 5 -3.646 15.503 7.280 29 HA LYS 5 HA LYS 5 -0.735 15.508 7.649 30 HB2 LYS 5 HB2 LYS 5 -3.065 14.740 9.403 31 HB3 LYS 5 HB1 LYS 5 -1.507 13.983 9.703 32 HG2 LYS 5 HG2 LYS 5 -0.455 16.157 9.997 33 HG3 LYS 5 HG1 LYS 5 -1.986 16.973 9.645 34 HD2 LYS 5 HD2 LYS 5 -2.986 15.940 11.677 35 HD3 LYS 5 HD1 LYS 5 -1.451 15.133 12.019 36 HE2 LYS 5 HE2 LYS 5 -0.354 17.317 12.305 37 HE3 LYS 5 HE1 LYS 5 -1.865 18.142 11.918 38 HZ1 LYS 5 HZ1 LYS 5 -1.426 16.350 14.244 39 HZ2 LYS 5 HZ2 LYS 5 -2.861 17.168 13.884 40 HZ3 LYS 5 HZ3 LYS 5 -1.474 18.040 14.298 41 H CYS 6 HN CYS 6 0.515 13.931 7.058 42 HA CYS 6 HA CYS 6 -0.455 11.302 6.222 43 HB2 CYS 6 HB2 CYS 6 1.410 12.250 4.937 44 HB3 CYS 6 HB1 CYS 6 2.338 12.513 6.405 45 H ASN 7 HN ASN 7 -1.060 10.067 7.946 46 HA ASN 7 HA ASN 7 -0.715 10.577 10.602 47 HB2 ASN 7 HB2 ASN 7 -2.395 9.018 9.675 48 HB3 ASN 7 HB1 ASN 7 -1.137 7.825 9.356 49 HD21 ASN 7 HD21 ASN 7 -1.435 9.848 12.293 50 HD22 ASN 7 HD22 ASN 7 -1.733 8.539 13.378 51 H VAL 8 HN VAL 8 1.294 8.394 8.689 52 HA VAL 8 HA VAL 8 2.907 7.258 10.668 53 HB VAL 8 HB VAL 8 3.767 7.933 7.813 54 HG11 VAL 8 HG11 VAL 8 5.238 5.939 8.011 55 HG12 VAL 8 HG12 VAL 8 4.751 5.753 9.698 56 HG13 VAL 8 HG13 VAL 8 5.638 7.188 9.192 57 HG21 VAL 8 HG21 VAL 8 2.260 5.463 8.764 58 HG22 VAL 8 HG22 VAL 8 2.873 5.744 7.131 59 HG23 VAL 8 HG23 VAL 8 1.604 6.776 7.784 60 H CYS 9 HN CYS 9 3.319 10.224 8.810 61 HA CYS 9 HA CYS 9 5.992 10.794 9.851 62 HB2 CYS 9 HB2 CYS 9 4.215 12.165 7.826 63 HB3 CYS 9 HB1 CYS 9 5.797 12.774 8.292 64 H SER 10 HN SER 10 2.739 11.903 10.280 65 HA SER 10 HA SER 10 1.605 13.474 11.357 66 HB2 SER 10 HB2 SER 10 2.321 14.345 13.490 67 HB3 SER 10 HB1 SER 10 2.846 12.670 13.390 68 HG SER 10 HG SER 10 4.927 13.329 13.127 69 H ARG 11 HN ARG 11 3.581 14.120 9.122 70 HA ARG 11 HA ARG 11 3.540 17.080 9.307 71 HB2 ARG 11 HB2 ARG 11 5.368 15.255 7.672 72 HB3 ARG 11 HB1 ARG 11 5.384 17.014 7.598 73 HG2 ARG 11 HG2 ARG 11 6.053 15.351 10.054 74 HG3 ARG 11 HG1 ARG 11 7.222 16.143 8.990 75 HD2 ARG 11 HD2 ARG 11 6.311 18.342 9.598 76 HD3 ARG 11 HD1 ARG 11 5.098 17.576 10.634 77 HE ARG 11 HE ARG 11 7.701 16.749 11.404 78 HH11 ARG 11 HH11 ARG 11 5.654 19.591 11.573 79 HH12 ARG 11 HH12 ARG 11 6.369 20.164 13.043 80 HH21 ARG 11 HH21 ARG 11 8.600 17.500 13.350 81 HH22 ARG 11 HH22 ARG 11 8.022 18.976 14.056 82 H THR 12 HN THR 12 3.738 17.872 6.777 83 HA THR 12 HA THR 12 1.724 16.598 5.101 84 HB THR 12 HB THR 12 0.317 17.997 6.538 85 HG1 THR 12 HG1 THR 12 0.538 19.376 4.063 86 HG21 THR 12 HG21 THR 12 1.988 20.372 5.639 87 HG22 THR 12 HG22 THR 12 1.955 19.699 7.272 88 HG23 THR 12 HG23 THR 12 0.511 20.457 6.595 89 H PHE 13 HN PHE 13 1.523 17.635 3.017 90 HA PHE 13 HA PHE 13 3.914 19.103 2.070 91 HB2 PHE 13 HB2 PHE 13 2.058 17.059 0.811 92 HB3 PHE 13 HB1 PHE 13 2.802 18.256 -0.246 93 HD1 PHE 13 HD2 PHE 13 3.727 15.801 2.452 94 HD2 PHE 13 HD1 PHE 13 4.950 17.807 -1.127 95 HE1 PHE 13 HE2 PHE 13 5.800 14.476 2.403 96 HE2 PHE 13 HE1 PHE 13 7.026 16.486 -1.149 97 HZ PHE 13 HZ PHE 13 7.452 14.816 0.612 98 H PHE 14 HN PHE 14 3.670 20.966 0.827 99 HA PHE 14 HA PHE 14 1.692 22.787 1.287 100 HB2 PHE 14 HB2 PHE 14 3.962 23.287 0.384 101 HB3 PHE 14 HB1 PHE 14 3.487 22.637 -1.177 102 HD1 PHE 14 HD1 PHE 14 2.747 25.365 1.265 103 HD2 PHE 14 HD2 PHE 14 2.413 24.060 -2.793 104 HE1 PHE 14 HE1 PHE 14 1.958 27.600 0.607 105 HE2 PHE 14 HE2 PHE 14 1.629 26.302 -3.442 106 HZ PHE 14 HZ PHE 14 1.397 28.073 -1.744 107 H SER 15 HN SER 15 1.643 20.282 -1.141 108 HA SER 15 HA SER 15 -1.041 21.143 -2.049 109 HB2 SER 15 HB2 SER 15 0.783 19.063 -3.353 110 HB3 SER 15 HB1 SER 15 -0.697 19.754 -4.022 111 HG SER 15 HG SER 15 1.654 21.215 -3.417 112 H GLU 16 HN GLU 16 -2.742 19.876 -1.482 113 HA GLU 16 HA GLU 16 -2.561 17.753 0.388 114 HB2 GLU 16 HB2 GLU 16 -4.958 17.449 0.110 115 HB3 GLU 16 HB1 GLU 16 -4.617 19.172 0.138 116 HG2 GLU 16 HG2 GLU 16 -5.169 17.550 -2.379 117 HG3 GLU 16 HG1 GLU 16 -6.367 18.506 -1.513 118 H ASN 17 HN ASN 17 -2.774 17.880 -3.120 119 HA ASN 17 HA ASN 17 -3.055 15.071 -3.612 120 HB2 ASN 17 HB2 ASN 17 -2.146 17.356 -5.417 121 HB3 ASN 17 HB1 ASN 17 -2.482 15.721 -5.979 122 HD21 ASN 17 HD21 ASN 17 -3.778 18.250 -6.721 123 HD22 ASN 17 HD22 ASN 17 -5.457 18.036 -6.371 124 H GLY 18 HN GLY 18 -0.394 17.245 -3.126 125 HA2 GLY 18 HA2 GLY 18 1.769 15.571 -4.014 126 HA3 GLY 18 HA1 GLY 18 1.899 16.980 -2.963 127 H LEU 19 HN LEU 19 0.078 16.128 -0.979 128 HA LEU 19 HA LEU 19 1.674 14.491 0.705 129 HB2 LEU 19 HB2 LEU 19 0.182 16.364 1.412 130 HB3 LEU 19 HB1 LEU 19 -1.210 15.405 1.022 131 HG LEU 19 HG LEU 19 -0.596 15.615 3.509 132 HD11 LEU 19 HD11 LEU 19 -0.885 12.774 2.490 133 HD12 LEU 19 HD12 LEU 19 -2.202 13.913 2.771 134 HD13 LEU 19 HD13 LEU 19 -1.233 13.344 4.129 135 HD21 LEU 19 HD21 LEU 19 1.145 14.178 4.416 136 HD22 LEU 19 HD22 LEU 19 1.836 15.331 3.276 137 HD23 LEU 19 HD23 LEU 19 1.598 13.647 2.794 138 H ARG 20 HN ARG 20 -1.427 13.957 -0.937 139 HA ARG 20 HA ARG 20 -1.866 11.274 -0.291 140 HB2 ARG 20 HB2 ARG 20 -2.696 12.785 -2.785 141 HB3 ARG 20 HB1 ARG 20 -3.280 11.173 -2.363 142 HG2 ARG 20 HG2 ARG 20 -4.019 12.269 -0.108 143 HG3 ARG 20 HG1 ARG 20 -3.826 13.798 -0.966 144 HD2 ARG 20 HD2 ARG 20 -5.613 11.508 -1.794 145 HD3 ARG 20 HD1 ARG 20 -6.148 12.995 -1.006 146 HE ARG 20 HE ARG 20 -4.749 13.608 -3.391 147 HH11 ARG 20 HH11 ARG 20 -7.848 12.364 -2.328 148 HH12 ARG 20 HH12 ARG 20 -8.663 12.824 -3.785 149 HH21 ARG 20 HH21 ARG 20 -5.839 14.184 -5.301 150 HH22 ARG 20 HH22 ARG 20 -7.537 13.855 -5.447 151 H GLU 21 HN GLU 21 -0.127 12.609 -3.092 152 HA GLU 21 HA GLU 21 0.747 10.254 -4.325 153 HB2 GLU 21 HB2 GLU 21 1.038 12.468 -5.387 154 HB3 GLU 21 HB1 GLU 21 2.165 12.948 -4.122 155 HG2 GLU 21 HG2 GLU 21 3.693 11.080 -4.899 156 HG3 GLU 21 HG1 GLU 21 2.606 10.847 -6.267 157 H HIS 22 HN HIS 22 2.113 12.140 -1.683 158 HA HIS 22 HA HIS 22 4.535 10.745 -1.298 159 HB2 HIS 22 HB2 HIS 22 4.485 12.931 -0.401 160 HB3 HIS 22 HB1 HIS 22 2.908 12.704 0.336 161 HD1 HIS 22 HD1 HIS 22 6.548 11.880 0.914 162 HD2 HIS 22 HD2 HIS 22 2.911 11.808 2.906 163 HE1 HIS 22 HE1 HIS 22 7.059 11.272 3.313 164 H LEU 23 HN LEU 23 1.263 10.258 0.036 165 HA LEU 23 HA LEU 23 1.883 8.589 2.198 166 HB2 LEU 23 HB2 LEU 23 -0.327 9.754 1.656 167 HB3 LEU 23 HB1 LEU 23 -0.664 8.412 0.574 168 HG LEU 23 HG LEU 23 -0.403 6.851 2.553 169 HD11 LEU 23 HD11 LEU 23 -0.539 7.783 4.833 170 HD12 LEU 23 HD12 LEU 23 -0.389 9.415 4.173 171 HD13 LEU 23 HD13 LEU 23 0.947 8.270 4.012 172 HD21 LEU 23 HD21 LEU 23 -2.654 7.498 1.759 173 HD22 LEU 23 HD22 LEU 23 -2.619 8.926 2.796 174 HD23 LEU 23 HD23 LEU 23 -2.636 7.313 3.513 175 H GLN 24 HN GLN 24 1.737 7.871 -1.168 176 HA GLN 24 HA GLN 24 1.346 5.109 -1.228 177 HB2 GLN 24 HB2 GLN 24 2.899 6.910 -3.130 178 HB3 GLN 24 HB1 GLN 24 2.435 5.248 -3.488 179 HG2 GLN 24 HG2 GLN 24 0.063 5.845 -3.310 180 HG3 GLN 24 HG1 GLN 24 0.496 7.509 -2.916 181 HE21 GLN 24 HE21 GLN 24 -1.079 6.382 -5.166 182 HE22 GLN 24 HE22 GLN 24 -0.325 6.983 -6.600 183 H THR 25 HN THR 25 4.129 6.868 -0.184 184 HA THR 25 HA THR 25 6.167 4.914 -0.759 185 HB THR 25 HB THR 25 7.605 6.291 0.724 186 HG1 THR 25 HG1 THR 25 5.887 8.325 1.209 187 HG21 THR 25 HG21 THR 25 5.930 8.033 -1.110 188 HG22 THR 25 HG22 THR 25 7.317 7.064 -1.608 189 HG23 THR 25 HG23 THR 25 7.540 8.422 -0.504 190 H HIS 26 HN HIS 26 3.714 5.159 1.618 191 HA HIS 26 HA HIS 26 5.154 3.523 3.629 192 HB2 HIS 26 HB2 HIS 26 2.556 5.090 3.924 193 HB3 HIS 26 HB1 HIS 26 3.415 4.256 5.215 194 HD1 HIS 26 HD1 HIS 26 5.799 5.340 5.869 195 HD2 HIS 26 HD2 HIS 26 3.308 7.647 3.485 196 HE1 HIS 26 HE1 HIS 26 6.641 7.706 6.049 197 H ARG 27 HN ARG 27 3.369 2.851 1.012 198 HA ARG 27 HA ARG 27 1.223 1.265 2.069 199 HB2 ARG 27 HB2 ARG 27 2.408 1.457 -0.719 200 HB3 ARG 27 HB1 ARG 27 1.077 0.371 -0.332 201 HG2 ARG 27 HG2 ARG 27 -0.232 2.385 0.466 202 HG3 ARG 27 HG1 ARG 27 1.063 3.402 -0.169 203 HD2 ARG 27 HD2 ARG 27 -0.834 3.216 -1.755 204 HD3 ARG 27 HD1 ARG 27 0.656 2.551 -2.432 205 HE ARG 27 HE ARG 27 -0.473 0.354 -1.394 206 HH11 ARG 27 HH11 ARG 27 -1.904 2.815 -3.441 207 HH12 ARG 27 HH12 ARG 27 -3.001 1.704 -4.196 208 HH21 ARG 27 HH21 ARG 27 -1.895 -1.074 -2.406 209 HH22 ARG 27 HH22 ARG 27 -2.990 -0.495 -3.622 210 H GLY 28 HN GLY 28 4.591 0.556 1.427 211 HA2 GLY 28 HA2 GLY 28 4.797 -1.702 2.942 212 HA3 GLY 28 HA1 GLY 28 4.270 -2.325 1.383 213 HA PRO 29 HA PRO 29 8.948 -2.156 1.361 214 HB2 PRO 29 HB2 PRO 29 9.394 -4.711 0.519 215 HB3 PRO 29 HB1 PRO 29 9.064 -4.332 2.215 216 HG2 PRO 29 HG2 PRO 29 7.171 -5.358 0.103 217 HG3 PRO 29 HG1 PRO 29 7.383 -5.911 1.779 218 HD2 PRO 29 HD2 PRO 29 5.375 -4.204 1.044 219 HD3 PRO 29 HD1 PRO 29 6.122 -4.153 2.655 220 H ALA 30 HN ALA 30 10.359 -2.031 -0.476 221 HA ALA 30 HA ALA 30 9.743 -2.544 -3.139 222 HB1 ALA 30 HB1 ALA 30 7.875 -0.949 -2.887 223 HB2 ALA 30 HB2 ALA 30 9.076 -0.336 -4.023 224 HB3 ALA 30 HB3 ALA 30 9.003 0.307 -2.382 225 H LYS 31 HN LYS 31 12.010 -3.023 -2.202 226 HA LYS 31 HA LYS 31 13.921 -0.872 -2.099 227 HB2 LYS 31 HB2 LYS 31 14.336 -3.880 -2.162 228 HB3 LYS 31 HB1 LYS 31 15.636 -2.709 -1.942 229 HG2 LYS 31 HG2 LYS 31 14.524 -1.898 0.123 230 HG3 LYS 31 HG1 LYS 31 13.278 -3.130 -0.088 231 HD2 LYS 31 HD2 LYS 31 15.073 -4.885 0.059 232 HD3 LYS 31 HD1 LYS 31 16.238 -3.605 0.423 233 HE2 LYS 31 HE2 LYS 31 15.448 -4.728 2.469 234 HE3 LYS 31 HE1 LYS 31 14.975 -3.028 2.455 235 HZ1 LYS 31 HZ1 LYS 31 13.173 -4.438 3.194 236 HZ2 LYS 31 HZ2 LYS 31 13.231 -5.334 1.762 237 HZ3 LYS 31 HZ3 LYS 31 12.761 -3.708 1.725 238 H HIS 32 HN HIS 32 12.417 -2.204 -4.729 239 HA HIS 32 HA HIS 32 12.760 -2.272 -6.945 240 HB2 HIS 32 HB2 HIS 32 13.754 -0.125 -7.906 241 HB3 HIS 32 HB1 HIS 32 12.392 0.060 -6.819 242 HD1 HIS 32 HD1 HIS 32 12.928 1.021 -4.415 243 HD2 HIS 32 HD2 HIS 32 16.082 1.222 -7.102 244 HE1 HIS 32 HE1 HIS 32 14.565 2.611 -3.403 245 HE2 HIS 32 HE2 HIS 32 16.404 2.835 -5.112 246 H TYR 33 HN TYR 33 13.999 -4.180 -7.082 247 HA TYR 33 HA TYR 33 16.894 -4.059 -6.845 248 HB2 TYR 33 HB2 TYR 33 15.273 -6.023 -6.087 249 HB3 TYR 33 HB1 TYR 33 15.405 -6.540 -7.753 250 HD1 TYR 33 HD1 TYR 33 17.366 -5.938 -4.629 251 HD2 TYR 33 HD2 TYR 33 17.471 -7.620 -8.548 252 HE1 TYR 33 HE1 TYR 33 19.497 -7.059 -4.117 253 HE2 TYR 33 HE2 TYR 33 19.578 -8.741 -8.023 254 HH TYR 33 HH TYR 33 20.743 -9.076 -4.913 255 H MET 34 HN MET 34 18.360 -4.432 -8.480 256 HA MET 34 HA MET 34 17.476 -3.859 -11.240 257 HB2 MET 34 HB2 MET 34 19.145 -2.318 -10.194 258 HB3 MET 34 HB1 MET 34 20.217 -3.672 -9.889 259 HG2 MET 34 HG2 MET 34 20.539 -3.992 -12.297 260 HG3 MET 34 HG1 MET 34 19.411 -2.679 -12.629 261 HE1 MET 34 HE1 MET 34 19.909 -0.109 -11.983 262 HE2 MET 34 HE2 MET 34 21.407 0.434 -11.227 263 HE3 MET 34 HE3 MET 34 20.266 -0.545 -10.310 264 H CYS 35 HN CYS 35 17.986 -5.340 -12.888 265 HA CYS 35 HA CYS 35 18.350 -8.065 -12.169 266 HB2 CYS 35 HB2 CYS 35 17.083 -7.299 -14.171 267 HB3 CYS 35 HB1 CYS 35 18.579 -6.815 -14.908 268 HA PRO 36 HA PRO 36 22.927 -8.105 -12.046 269 HB2 PRO 36 HB2 PRO 36 22.450 -11.068 -12.329 270 HB3 PRO 36 HB1 PRO 36 23.441 -10.197 -11.146 271 HG2 PRO 36 HG2 PRO 36 21.089 -11.213 -10.415 272 HG3 PRO 36 HG1 PRO 36 21.584 -9.608 -9.830 273 HD2 PRO 36 HD2 PRO 36 19.667 -10.310 -12.059 274 HD3 PRO 36 HD1 PRO 36 19.507 -9.080 -10.781 275 H ILE 37 HN ILE 37 20.952 -9.929 -14.369 276 HA ILE 37 HA ILE 37 23.130 -10.421 -16.185 277 HB ILE 37 HB ILE 37 20.130 -10.932 -16.483 278 HG12 ILE 37 HG12 ILE 37 22.287 -12.854 -15.453 279 HG13 ILE 37 HG11 ILE 37 21.120 -12.029 -14.428 280 HG21 ILE 37 HG21 ILE 37 20.798 -12.662 -18.131 281 HG22 ILE 37 HG22 ILE 37 22.485 -12.174 -17.963 282 HG23 ILE 37 HG23 ILE 37 21.305 -11.049 -18.630 283 HD11 ILE 37 HD11 ILE 37 20.501 -14.338 -14.824 284 HD12 ILE 37 HD12 ILE 37 20.485 -14.061 -16.562 285 HD13 ILE 37 HD13 ILE 37 19.303 -13.253 -15.529 286 H CYS 38 HN CYS 38 19.979 -8.619 -16.539 287 HA CYS 38 HA CYS 38 21.239 -6.997 -18.665 288 HB2 CYS 38 HB2 CYS 38 19.306 -7.227 -20.003 289 HB3 CYS 38 HB1 CYS 38 19.680 -8.834 -19.432 290 H GLY 39 HN GLY 39 20.254 -6.442 -15.669 291 HA2 GLY 39 HA2 GLY 39 19.720 -4.618 -14.489 292 HA3 GLY 39 HA1 GLY 39 20.236 -3.691 -15.884 293 H GLU 40 HN GLU 40 17.425 -5.725 -16.318 294 HA GLU 40 HA GLU 40 15.488 -3.736 -16.493 295 HB2 GLU 40 HB2 GLU 40 15.126 -6.658 -15.713 296 HB3 GLU 40 HB1 GLU 40 13.835 -5.582 -16.232 297 HG2 GLU 40 HG2 GLU 40 16.213 -6.388 -17.909 298 HG3 GLU 40 HG1 GLU 40 14.608 -7.094 -18.024 299 H ARG 41 HN ARG 41 14.269 -2.647 -15.053 300 HA ARG 41 HA ARG 41 14.843 -2.903 -12.203 301 HB2 ARG 41 HB2 ARG 41 13.645 -0.737 -11.983 302 HB3 ARG 41 HB1 ARG 41 14.955 -0.658 -13.154 303 HG2 ARG 41 HG2 ARG 41 13.339 -0.763 -15.001 304 HG3 ARG 41 HG1 ARG 41 12.011 -0.910 -13.851 305 HD2 ARG 41 HD2 ARG 41 13.851 1.489 -14.177 306 HD3 ARG 41 HD1 ARG 41 12.163 1.386 -14.687 307 HE ARG 41 HE ARG 41 12.546 0.892 -11.873 308 HH11 ARG 41 HH11 ARG 41 12.054 3.429 -14.238 309 HH12 ARG 41 HH12 ARG 41 11.510 4.572 -13.055 310 HH21 ARG 41 HH21 ARG 41 11.867 2.411 -10.345 311 HH22 ARG 41 HH22 ARG 41 11.405 4.004 -10.863 312 H PHE 42 HN PHE 42 13.561 -3.949 -10.837 313 HA PHE 42 HA PHE 42 10.645 -4.123 -11.307 314 HB2 PHE 42 HB2 PHE 42 12.531 -6.376 -10.492 315 HB3 PHE 42 HB1 PHE 42 10.812 -6.440 -10.140 316 HD1 PHE 42 HD1 PHE 42 13.296 -6.437 -12.906 317 HD2 PHE 42 HD2 PHE 42 9.170 -6.837 -11.876 318 HE1 PHE 42 HE1 PHE 42 12.807 -7.270 -15.163 319 HE2 PHE 42 HE2 PHE 42 8.698 -7.681 -14.136 320 HZ PHE 42 HZ PHE 42 10.511 -7.893 -15.784 321 HA PRO 43 HA PRO 43 10.191 -2.167 -7.438 322 HB2 PRO 43 HB2 PRO 43 7.962 -3.425 -6.340 323 HB3 PRO 43 HB1 PRO 43 7.896 -2.226 -7.639 324 HG2 PRO 43 HG2 PRO 43 7.891 -5.240 -7.840 325 HG3 PRO 43 HG1 PRO 43 6.838 -4.056 -8.658 326 HD2 PRO 43 HD2 PRO 43 8.914 -5.133 -9.958 327 HD3 PRO 43 HD1 PRO 43 8.539 -3.407 -10.155 328 H SER 44 HN SER 44 10.836 -5.624 -7.301 329 HA SER 44 HA SER 44 11.729 -5.409 -4.522 330 HB2 SER 44 HB2 SER 44 10.296 -7.327 -3.754 331 HB3 SER 44 HB1 SER 44 9.345 -5.913 -4.197 332 HG SER 44 HG SER 44 8.303 -7.325 -5.364 333 H LEU 45 HN LEU 45 12.538 -7.506 -3.722 334 HA LEU 45 HA LEU 45 14.206 -8.891 -5.706 335 HB2 LEU 45 HB2 LEU 45 14.714 -7.974 -3.151 336 HB3 LEU 45 HB1 LEU 45 14.273 -9.623 -2.775 337 HG LEU 45 HG LEU 45 16.577 -8.736 -4.554 338 HD11 LEU 45 HD11 LEU 45 16.997 -8.311 -2.179 339 HD12 LEU 45 HD12 LEU 45 18.032 -9.605 -2.772 340 HD13 LEU 45 HD13 LEU 45 16.617 -9.992 -1.791 341 HD21 LEU 45 HD21 LEU 45 17.267 -11.089 -4.640 342 HD22 LEU 45 HD22 LEU 45 15.690 -10.856 -5.386 343 HD23 LEU 45 HD23 LEU 45 15.800 -11.563 -3.772 344 H LEU 46 HN LEU 46 11.616 -9.406 -6.163 345 HA LEU 46 HA LEU 46 11.164 -12.205 -5.526 346 HB2 LEU 46 HB2 LEU 46 9.066 -10.038 -4.988 347 HB3 LEU 46 HB1 LEU 46 8.644 -11.717 -5.232 348 HG LEU 46 HG LEU 46 8.514 -11.427 -2.909 349 HD11 LEU 46 HD11 LEU 46 10.266 -12.809 -1.922 350 HD12 LEU 46 HD12 LEU 46 11.270 -12.591 -3.355 351 HD13 LEU 46 HD13 LEU 46 9.738 -13.458 -3.474 352 HD21 LEU 46 HD21 LEU 46 11.165 -9.960 -2.879 353 HD22 LEU 46 HD22 LEU 46 10.158 -10.321 -1.475 354 HD23 LEU 46 HD23 LEU 46 9.570 -9.227 -2.724 355 H THR 47 HN THR 47 9.748 -9.287 -6.990 356 HA THR 47 HA THR 47 8.887 -10.475 -9.407 357 HB THR 47 HB THR 47 8.790 -8.018 -10.182 358 HG1 THR 47 HG1 THR 47 9.077 -7.000 -7.678 359 HG21 THR 47 HG21 THR 47 6.931 -7.435 -8.660 360 HG22 THR 47 HG22 THR 47 7.447 -8.691 -7.533 361 HG23 THR 47 HG23 THR 47 6.838 -9.135 -9.130 362 H LEU 48 HN LEU 48 11.954 -8.831 -8.523 363 HA LEU 48 HA LEU 48 13.119 -9.086 -11.100 364 HB2 LEU 48 HB2 LEU 48 13.905 -7.634 -9.091 365 HB3 LEU 48 HB1 LEU 48 14.671 -9.087 -8.487 366 HG LEU 48 HG LEU 48 16.190 -7.455 -9.720 367 HD11 LEU 48 HD11 LEU 48 16.161 -10.260 -10.879 368 HD12 LEU 48 HD12 LEU 48 16.931 -9.765 -9.370 369 HD13 LEU 48 HD13 LEU 48 17.515 -9.125 -10.904 370 HD21 LEU 48 HD21 LEU 48 16.172 -7.405 -12.160 371 HD22 LEU 48 HD22 LEU 48 14.650 -6.803 -11.511 372 HD23 LEU 48 HD23 LEU 48 14.738 -8.428 -12.197 373 H THR 49 HN THR 49 12.940 -11.249 -8.322 374 HA THR 49 HA THR 49 14.829 -13.188 -9.107 375 HB THR 49 HB THR 49 12.356 -13.583 -7.360 376 HG1 THR 49 HG1 THR 49 13.739 -12.986 -5.660 377 HG21 THR 49 HG21 THR 49 13.655 -15.378 -6.274 378 HG22 THR 49 HG22 THR 49 14.992 -15.109 -7.392 379 HG23 THR 49 HG23 THR 49 13.453 -15.723 -7.995 380 H GLU 50 HN GLU 50 11.313 -12.994 -9.576 381 HA GLU 50 HA GLU 50 10.978 -15.477 -10.906 382 HB2 GLU 50 HB2 GLU 50 8.734 -14.776 -11.455 383 HB3 GLU 50 HB1 GLU 50 9.093 -14.198 -9.834 384 HG2 GLU 50 HG2 GLU 50 9.430 -11.941 -10.649 385 HG3 GLU 50 HG1 GLU 50 9.256 -12.473 -12.314 386 H HIS 51 HN HIS 51 11.616 -12.195 -12.101 387 HA HIS 51 HA HIS 51 11.506 -12.655 -14.882 388 HB2 HIS 51 HB2 HIS 51 11.486 -10.379 -14.225 389 HB3 HIS 51 HB1 HIS 51 12.846 -10.571 -13.130 390 HD1 HIS 51 HD1 HIS 51 12.199 -10.502 -16.897 391 HD2 HIS 51 HD2 HIS 51 15.222 -9.775 -14.146 392 HE1 HIS 51 HE1 HIS 51 14.140 -9.574 -18.213 393 H LYS 52 HN LYS 52 14.091 -12.947 -12.532 394 HA LYS 52 HA LYS 52 16.246 -13.209 -14.353 395 HB2 LYS 52 HB2 LYS 52 16.403 -12.373 -11.990 396 HB3 LYS 52 HB1 LYS 52 16.144 -14.018 -11.423 397 HG2 LYS 52 HG2 LYS 52 18.253 -14.700 -12.646 398 HG3 LYS 52 HG1 LYS 52 18.509 -12.999 -13.042 399 HD2 LYS 52 HD2 LYS 52 19.858 -13.666 -11.091 400 HD3 LYS 52 HD1 LYS 52 18.668 -12.436 -10.654 401 HE2 LYS 52 HE2 LYS 52 17.213 -14.164 -9.679 402 HE3 LYS 52 HE1 LYS 52 18.350 -15.423 -10.165 403 HZ1 LYS 52 HZ1 LYS 52 18.646 -14.891 -7.867 404 HZ2 LYS 52 HZ2 LYS 52 18.839 -13.254 -8.213 405 HZ3 LYS 52 HZ3 LYS 52 20.002 -14.366 -8.723 406 H VAL 53 HN VAL 53 14.168 -15.597 -12.728 407 HA VAL 53 HA VAL 53 15.819 -17.844 -13.476 408 HB VAL 53 HB VAL 53 14.080 -19.240 -12.432 409 HG11 VAL 53 HG11 VAL 53 15.842 -18.299 -11.007 410 HG12 VAL 53 HG12 VAL 53 14.334 -18.415 -10.101 411 HG13 VAL 53 HG13 VAL 53 14.871 -16.853 -10.724 412 HG21 VAL 53 HG21 VAL 53 12.129 -18.232 -11.277 413 HG22 VAL 53 HG22 VAL 53 12.044 -17.992 -13.020 414 HG23 VAL 53 HG23 VAL 53 12.535 -16.660 -11.975 415 H THR 54 HN THR 54 12.855 -16.343 -14.692 416 HA THR 54 HA THR 54 12.560 -18.309 -16.869 417 HB THR 54 HB THR 54 10.460 -17.045 -17.429 418 HG1 THR 54 HG1 THR 54 10.392 -15.663 -15.052 419 HG21 THR 54 HG21 THR 54 9.142 -17.721 -15.456 420 HG22 THR 54 HG22 THR 54 10.624 -17.912 -14.522 421 HG23 THR 54 HG23 THR 54 10.307 -18.973 -15.895 422 H HIS 55 HN HIS 55 14.946 -16.950 -17.195 423 HA HIS 55 HA HIS 55 14.583 -14.246 -18.155 424 HB2 HIS 55 HB2 HIS 55 16.539 -15.256 -16.657 425 HB3 HIS 55 HB1 HIS 55 17.257 -15.691 -18.206 426 HD1 HIS 55 HD1 HIS 55 17.766 -13.577 -19.849 427 HD2 HIS 55 HD2 HIS 55 16.756 -12.693 -15.924 428 HE1 HIS 55 HE1 HIS 55 18.391 -11.155 -19.478 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -9.003 19.652 -2.770 2 H2 MET 1 HT2 MET 1 -7.545 18.879 -3.122 3 H3 MET 1 HT3 MET 1 -8.323 19.784 -4.317 4 HA MET 1 HA MET 1 -6.424 20.941 -3.399 5 HB2 MET 1 HB2 MET 1 -9.118 22.211 -2.719 6 HB3 MET 1 HB1 MET 1 -7.595 23.085 -2.830 7 HG2 MET 1 HG2 MET 1 -7.441 22.440 -5.229 8 HG3 MET 1 HG1 MET 1 -9.028 21.684 -5.096 9 HE1 MET 1 HE1 MET 1 -8.341 26.231 -4.506 10 HE2 MET 1 HE2 MET 1 -7.039 25.119 -4.921 11 HE3 MET 1 HE3 MET 1 -7.814 25.022 -3.340 12 H GLY 2 HN GLY 2 -5.213 21.526 -1.624 13 HA2 GLY 2 HA2 GLY 2 -5.729 22.513 0.742 14 HA3 GLY 2 HA1 GLY 2 -6.232 20.857 1.059 15 H SER 3 HN SER 3 -4.691 20.497 2.583 16 HA SER 3 HA SER 3 -2.030 19.827 1.815 17 HB2 SER 3 HB2 SER 3 -2.451 22.120 3.820 18 HB3 SER 3 HB1 SER 3 -0.916 21.312 3.514 19 HG SER 3 HG SER 3 -1.319 22.004 1.243 20 H HIS 4 HN HIS 4 -2.118 17.776 2.829 21 HA HIS 4 HA HIS 4 -3.905 17.465 5.138 22 HB2 HIS 4 HB2 HIS 4 -3.019 15.691 2.845 23 HB3 HIS 4 HB1 HIS 4 -3.515 14.927 4.341 24 HD1 HIS 4 HD1 HIS 4 -5.913 14.308 4.339 25 HD2 HIS 4 HD2 HIS 4 -5.198 17.639 1.961 26 HE1 HIS 4 HE1 HIS 4 -8.138 14.919 3.343 27 HE2 HIS 4 HE2 HIS 4 -7.656 16.858 1.818 28 H LYS 5 HN LYS 5 -3.171 15.878 6.754 29 HA LYS 5 HA LYS 5 -0.330 16.309 7.402 30 HB2 LYS 5 HB2 LYS 5 -1.950 17.225 9.016 31 HB3 LYS 5 HB1 LYS 5 -2.727 15.656 9.173 32 HG2 LYS 5 HG2 LYS 5 -0.853 14.737 10.352 33 HG3 LYS 5 HG1 LYS 5 0.173 16.110 9.939 34 HD2 LYS 5 HD2 LYS 5 -0.561 16.226 12.295 35 HD3 LYS 5 HD1 LYS 5 -1.181 17.593 11.370 36 HE2 LYS 5 HE2 LYS 5 -2.915 16.748 12.853 37 HE3 LYS 5 HE1 LYS 5 -3.383 16.436 11.182 38 HZ1 LYS 5 HZ1 LYS 5 -2.220 14.478 13.085 39 HZ2 LYS 5 HZ2 LYS 5 -2.580 14.150 11.466 40 HZ3 LYS 5 HZ3 LYS 5 -3.818 14.537 12.546 41 H CYS 6 HN CYS 6 0.981 14.596 7.074 42 HA CYS 6 HA CYS 6 0.063 11.943 6.628 43 HB2 CYS 6 HB2 CYS 6 2.202 12.866 5.683 44 HB3 CYS 6 HB1 CYS 6 2.900 12.847 7.301 45 H ASN 7 HN ASN 7 -1.139 11.262 8.407 46 HA ASN 7 HA ASN 7 -0.586 11.188 11.092 47 HB2 ASN 7 HB2 ASN 7 -2.675 10.334 10.017 48 HB3 ASN 7 HB1 ASN 7 -1.801 8.925 9.432 49 HD21 ASN 7 HD21 ASN 7 -1.200 7.295 10.959 50 HD22 ASN 7 HD22 ASN 7 -1.947 7.191 12.514 51 H VAL 8 HN VAL 8 0.920 9.277 8.576 52 HA VAL 8 HA VAL 8 2.194 7.305 10.180 53 HB VAL 8 HB VAL 8 3.201 8.288 7.467 54 HG11 VAL 8 HG11 VAL 8 3.437 5.589 8.845 55 HG12 VAL 8 HG12 VAL 8 4.725 6.773 8.615 56 HG13 VAL 8 HG13 VAL 8 4.021 5.964 7.216 57 HG21 VAL 8 HG21 VAL 8 0.792 7.848 7.262 58 HG22 VAL 8 HG22 VAL 8 0.999 6.238 7.957 59 HG23 VAL 8 HG23 VAL 8 1.722 6.627 6.392 60 H CYS 9 HN CYS 9 3.413 10.388 8.780 61 HA CYS 9 HA CYS 9 5.879 10.215 10.394 62 HB2 CYS 9 HB2 CYS 9 5.111 12.356 8.363 63 HB3 CYS 9 HB1 CYS 9 6.660 12.210 9.182 64 H SER 10 HN SER 10 3.951 13.107 9.599 65 HA SER 10 HA SER 10 2.872 13.885 11.997 66 HB2 SER 10 HB2 SER 10 5.765 14.878 11.772 67 HB3 SER 10 HB1 SER 10 4.566 15.618 12.828 68 HG SER 10 HG SER 10 4.420 13.372 13.719 69 H ARG 11 HN ARG 11 4.920 15.106 9.300 70 HA ARG 11 HA ARG 11 3.776 17.746 9.483 71 HB2 ARG 11 HB2 ARG 11 6.248 17.153 9.305 72 HB3 ARG 11 HB1 ARG 11 5.948 16.634 7.660 73 HG2 ARG 11 HG2 ARG 11 6.971 18.823 7.725 74 HG3 ARG 11 HG1 ARG 11 5.355 18.893 7.026 75 HD2 ARG 11 HD2 ARG 11 5.652 20.808 8.486 76 HD3 ARG 11 HD1 ARG 11 4.472 19.719 9.210 77 HE ARG 11 HE ARG 11 7.072 19.168 10.219 78 HH11 ARG 11 HH11 ARG 11 4.473 21.533 10.542 79 HH12 ARG 11 HH12 ARG 11 4.992 22.055 12.114 80 HH21 ARG 11 HH21 ARG 11 7.738 19.888 12.271 81 HH22 ARG 11 HH22 ARG 11 6.838 21.125 13.093 82 H THR 12 HN THR 12 3.809 18.644 6.874 83 HA THR 12 HA THR 12 1.549 17.286 5.604 84 HB THR 12 HB THR 12 0.592 19.053 7.080 85 HG1 THR 12 HG1 THR 12 -0.684 19.061 5.388 86 HG21 THR 12 HG21 THR 12 1.082 21.438 6.700 87 HG22 THR 12 HG22 THR 12 2.315 21.002 5.513 88 HG23 THR 12 HG23 THR 12 2.533 20.573 7.213 89 H PHE 13 HN PHE 13 1.295 17.893 3.370 90 HA PHE 13 HA PHE 13 3.678 19.116 2.097 91 HB2 PHE 13 HB2 PHE 13 2.888 16.666 1.508 92 HB3 PHE 13 HB1 PHE 13 1.612 17.449 0.586 93 HD1 PHE 13 HD1 PHE 13 2.373 19.155 -1.263 94 HD2 PHE 13 HD2 PHE 13 5.034 16.340 0.532 95 HE1 PHE 13 HE1 PHE 13 3.920 19.403 -3.153 96 HE2 PHE 13 HE2 PHE 13 6.577 16.586 -1.369 97 HZ PHE 13 HZ PHE 13 6.027 18.123 -3.214 98 H PHE 14 HN PHE 14 3.423 20.904 0.840 99 HA PHE 14 HA PHE 14 1.487 22.778 1.129 100 HB2 PHE 14 HB2 PHE 14 3.218 22.302 -1.329 101 HB3 PHE 14 HB1 PHE 14 2.366 23.804 -0.992 102 HD1 PHE 14 HD2 PHE 14 3.088 25.273 0.878 103 HD2 PHE 14 HD1 PHE 14 5.285 21.738 -0.121 104 HE1 PHE 14 HE2 PHE 14 5.006 26.086 2.184 105 HE2 PHE 14 HE1 PHE 14 7.190 22.557 1.202 106 HZ PHE 14 HZ PHE 14 7.058 24.731 2.357 107 H SER 15 HN SER 15 1.438 20.220 -1.331 108 HA SER 15 HA SER 15 -1.275 21.016 -2.160 109 HB2 SER 15 HB2 SER 15 -0.848 19.550 -4.154 110 HB3 SER 15 HB1 SER 15 0.277 20.901 -4.041 111 HG SER 15 HG SER 15 1.620 19.258 -4.383 112 H GLU 16 HN GLU 16 -2.957 19.637 -1.821 113 HA GLU 16 HA GLU 16 -2.994 17.455 -0.104 114 HB2 GLU 16 HB2 GLU 16 -5.010 18.668 -0.739 115 HB3 GLU 16 HB1 GLU 16 -4.844 18.160 -2.418 116 HG2 GLU 16 HG2 GLU 16 -5.271 15.828 -1.762 117 HG3 GLU 16 HG1 GLU 16 -5.421 16.317 -0.072 118 H ASN 17 HN ASN 17 -2.807 17.508 -3.657 119 HA ASN 17 HA ASN 17 -2.683 14.793 -4.291 120 HB2 ASN 17 HB2 ASN 17 -1.417 17.223 -5.630 121 HB3 ASN 17 HB1 ASN 17 -1.391 15.619 -6.352 122 HD21 ASN 17 HD21 ASN 17 -2.499 16.735 -8.124 123 HD22 ASN 17 HD22 ASN 17 -4.213 16.948 -8.049 124 H GLY 18 HN GLY 18 -0.228 16.947 -3.035 125 HA2 GLY 18 HA2 GLY 18 2.072 15.351 -3.699 126 HA3 GLY 18 HA1 GLY 18 2.034 16.780 -2.683 127 H LEU 19 HN LEU 19 0.190 15.980 -0.687 128 HA LEU 19 HA LEU 19 1.737 14.310 0.984 129 HB2 LEU 19 HB2 LEU 19 -0.014 16.081 1.649 130 HB3 LEU 19 HB1 LEU 19 -1.234 14.870 1.378 131 HG LEU 19 HG LEU 19 -0.586 15.201 3.793 132 HD11 LEU 19 HD11 LEU 19 -0.519 12.869 4.480 133 HD12 LEU 19 HD12 LEU 19 -0.137 12.373 2.829 134 HD13 LEU 19 HD13 LEU 19 -1.693 13.125 3.189 135 HD21 LEU 19 HD21 LEU 19 1.809 15.609 3.470 136 HD22 LEU 19 HD22 LEU 19 2.045 13.914 3.036 137 HD23 LEU 19 HD23 LEU 19 1.509 14.341 4.660 138 H ARG 20 HN ARG 20 -1.255 13.681 -0.816 139 HA ARG 20 HA ARG 20 -1.652 10.976 -0.428 140 HB2 ARG 20 HB2 ARG 20 -2.001 12.535 -2.994 141 HB3 ARG 20 HB1 ARG 20 -2.641 10.915 -2.718 142 HG2 ARG 20 HG2 ARG 20 -3.982 11.813 -0.805 143 HG3 ARG 20 HG1 ARG 20 -3.411 13.435 -1.215 144 HD2 ARG 20 HD2 ARG 20 -4.400 13.192 -3.460 145 HD3 ARG 20 HD1 ARG 20 -4.988 11.591 -3.006 146 HE ARG 20 HE ARG 20 -5.931 13.504 -1.160 147 HH11 ARG 20 HH11 ARG 20 -6.454 12.531 -4.481 148 HH12 ARG 20 HH12 ARG 20 -8.112 13.034 -4.497 149 HH21 ARG 20 HH21 ARG 20 -8.121 14.169 -1.195 150 HH22 ARG 20 HH22 ARG 20 -9.050 13.965 -2.646 151 H GLU 21 HN GLU 21 0.486 12.500 -2.799 152 HA GLU 21 HA GLU 21 1.473 10.187 -4.081 153 HB2 GLU 21 HB2 GLU 21 1.569 12.455 -5.066 154 HB3 GLU 21 HB1 GLU 21 2.705 12.961 -3.820 155 HG2 GLU 21 HG2 GLU 21 4.373 11.345 -4.713 156 HG3 GLU 21 HG1 GLU 21 3.231 10.896 -5.983 157 H HIS 22 HN HIS 22 2.592 12.052 -1.329 158 HA HIS 22 HA HIS 22 5.046 10.696 -0.816 159 HB2 HIS 22 HB2 HIS 22 4.866 12.923 0.001 160 HB3 HIS 22 HB1 HIS 22 3.279 12.652 0.697 161 HD1 HIS 22 HD1 HIS 22 6.948 12.025 1.431 162 HD2 HIS 22 HD2 HIS 22 3.248 11.840 3.296 163 HE1 HIS 22 HE1 HIS 22 7.399 11.590 3.879 164 H LEU 23 HN LEU 23 1.726 10.275 0.293 165 HA LEU 23 HA LEU 23 2.092 8.478 2.394 166 HB2 LEU 23 HB2 LEU 23 0.078 9.935 1.654 167 HB3 LEU 23 HB1 LEU 23 -0.354 8.601 0.606 168 HG LEU 23 HG LEU 23 -0.079 8.278 3.620 169 HD11 LEU 23 HD11 LEU 23 -1.719 10.048 3.177 170 HD12 LEU 23 HD12 LEU 23 -2.502 8.605 3.813 171 HD13 LEU 23 HD13 LEU 23 -2.603 8.975 2.089 172 HD21 LEU 23 HD21 LEU 23 -1.583 6.620 1.565 173 HD22 LEU 23 HD22 LEU 23 -1.579 6.335 3.308 174 HD23 LEU 23 HD23 LEU 23 -0.088 6.160 2.383 175 H GLN 24 HN GLN 24 1.791 7.954 -1.083 176 HA GLN 24 HA GLN 24 1.223 5.240 -1.240 177 HB2 GLN 24 HB2 GLN 24 3.045 6.760 -3.154 178 HB3 GLN 24 HB1 GLN 24 2.146 5.290 -3.503 179 HG2 GLN 24 HG2 GLN 24 0.024 6.572 -3.198 180 HG3 GLN 24 HG1 GLN 24 0.988 8.036 -2.979 181 HE21 GLN 24 HE21 GLN 24 2.268 8.772 -4.800 182 HE22 GLN 24 HE22 GLN 24 1.798 8.375 -6.414 183 H THR 25 HN THR 25 4.156 6.740 -0.234 184 HA THR 25 HA THR 25 6.005 4.680 -1.079 185 HB THR 25 HB THR 25 7.731 6.033 -0.038 186 HG1 THR 25 HG1 THR 25 6.353 8.106 0.953 187 HG21 THR 25 HG21 THR 25 7.419 8.227 -1.133 188 HG22 THR 25 HG22 THR 25 5.697 7.892 -1.322 189 HG23 THR 25 HG23 THR 25 6.885 6.917 -2.189 190 H HIS 26 HN HIS 26 4.043 5.331 1.700 191 HA HIS 26 HA HIS 26 5.748 4.068 3.655 192 HB2 HIS 26 HB2 HIS 26 2.944 5.212 3.796 193 HB3 HIS 26 HB1 HIS 26 3.704 4.416 5.171 194 HD1 HIS 26 HD1 HIS 26 6.348 5.484 5.491 195 HD2 HIS 26 HD2 HIS 26 3.275 7.891 4.050 196 HE1 HIS 26 HE1 HIS 26 7.015 7.863 5.982 197 H ARG 27 HN ARG 27 2.957 3.091 1.728 198 HA ARG 27 HA ARG 27 2.811 0.457 2.955 199 HB2 ARG 27 HB2 ARG 27 1.449 1.539 0.439 200 HB3 ARG 27 HB1 ARG 27 0.982 0.102 1.348 201 HG2 ARG 27 HG2 ARG 27 0.307 1.487 3.258 202 HG3 ARG 27 HG1 ARG 27 0.865 2.943 2.430 203 HD2 ARG 27 HD2 ARG 27 -0.841 2.542 0.652 204 HD3 ARG 27 HD1 ARG 27 -1.429 1.146 1.565 205 HE ARG 27 HE ARG 27 -1.496 3.292 3.318 206 HH11 ARG 27 HH11 ARG 27 -3.050 2.484 0.272 207 HH12 ARG 27 HH12 ARG 27 -4.455 3.445 0.598 208 HH21 ARG 27 HH21 ARG 27 -3.357 4.539 3.736 209 HH22 ARG 27 HH22 ARG 27 -4.636 4.594 2.563 210 H GLY 28 HN GLY 28 5.407 1.163 1.876 211 HA2 GLY 28 HA2 GLY 28 7.098 0.229 0.629 212 HA3 GLY 28 HA1 GLY 28 5.956 -0.933 -0.032 213 HA PRO 29 HA PRO 29 6.738 2.376 -3.347 214 HB2 PRO 29 HB2 PRO 29 8.002 0.784 -5.201 215 HB3 PRO 29 HB1 PRO 29 8.885 1.749 -4.007 216 HG2 PRO 29 HG2 PRO 29 8.202 -1.185 -3.952 217 HG3 PRO 29 HG1 PRO 29 9.718 -0.376 -3.492 218 HD2 PRO 29 HD2 PRO 29 7.876 -1.198 -1.643 219 HD3 PRO 29 HD1 PRO 29 8.904 0.230 -1.393 220 H ALA 30 HN ALA 30 4.645 2.488 -4.072 221 HA ALA 30 HA ALA 30 2.845 0.528 -4.655 222 HB1 ALA 30 HB1 ALA 30 1.522 2.217 -5.811 223 HB2 ALA 30 HB2 ALA 30 2.934 3.264 -5.961 224 HB3 ALA 30 HB3 ALA 30 2.269 2.899 -4.368 225 H LYS 31 HN LYS 31 4.289 -0.975 -5.698 226 HA LYS 31 HA LYS 31 3.653 -1.257 -8.524 227 HB2 LYS 31 HB2 LYS 31 6.396 -1.820 -7.287 228 HB3 LYS 31 HB1 LYS 31 5.918 -2.266 -8.923 229 HG2 LYS 31 HG2 LYS 31 5.778 0.085 -9.562 230 HG3 LYS 31 HG1 LYS 31 6.095 0.579 -7.904 231 HD2 LYS 31 HD2 LYS 31 8.144 0.887 -9.096 232 HD3 LYS 31 HD1 LYS 31 8.362 -0.536 -8.083 233 HE2 LYS 31 HE2 LYS 31 7.683 -0.631 -11.042 234 HE3 LYS 31 HE1 LYS 31 9.315 -0.764 -10.391 235 HZ1 LYS 31 HZ1 LYS 31 8.511 -2.927 -10.824 236 HZ2 LYS 31 HZ2 LYS 31 7.068 -2.664 -9.998 237 HZ3 LYS 31 HZ3 LYS 31 8.524 -2.757 -9.144 238 H HIS 32 HN HIS 32 2.708 -2.124 -5.829 239 HA HIS 32 HA HIS 32 3.516 -4.952 -5.573 240 HB2 HIS 32 HB2 HIS 32 2.831 -4.665 -3.154 241 HB3 HIS 32 HB1 HIS 32 4.196 -3.672 -3.639 242 HD1 HIS 32 HD1 HIS 32 0.401 -3.198 -3.331 243 HD2 HIS 32 HD2 HIS 32 3.953 -1.124 -2.727 244 HE1 HIS 32 HE1 HIS 32 -0.267 -0.967 -2.399 245 HE2 HIS 32 HE2 HIS 32 1.905 0.224 -1.930 246 H TYR 33 HN TYR 33 1.872 -6.385 -4.633 247 HA TYR 33 HA TYR 33 -0.843 -5.840 -5.661 248 HB2 TYR 33 HB2 TYR 33 0.770 -8.430 -5.766 249 HB3 TYR 33 HB1 TYR 33 -0.936 -8.313 -6.201 250 HD1 TYR 33 HD1 TYR 33 2.498 -7.241 -7.177 251 HD2 TYR 33 HD2 TYR 33 -1.607 -7.351 -8.357 252 HE1 TYR 33 HE1 TYR 33 3.130 -6.507 -9.430 253 HE2 TYR 33 HE2 TYR 33 -0.965 -6.631 -10.619 254 HH TYR 33 HH TYR 33 2.271 -6.595 -11.700 255 H MET 34 HN MET 34 -2.520 -6.282 -4.371 256 HA MET 34 HA MET 34 -1.949 -7.093 -1.575 257 HB2 MET 34 HB2 MET 34 -2.537 -4.660 -2.001 258 HB3 MET 34 HB1 MET 34 -4.103 -5.177 -2.597 259 HG2 MET 34 HG2 MET 34 -4.716 -5.998 -0.389 260 HG3 MET 34 HG1 MET 34 -3.098 -5.640 0.229 261 HE1 MET 34 HE1 MET 34 -5.752 -4.513 1.692 262 HE2 MET 34 HE2 MET 34 -5.283 -2.842 1.992 263 HE3 MET 34 HE3 MET 34 -4.121 -4.140 2.251 264 H CYS 35 HN CYS 35 -3.340 -8.531 -0.598 265 HA CYS 35 HA CYS 35 -4.598 -10.502 -2.147 266 HB2 CYS 35 HB2 CYS 35 -3.788 -11.155 -0.033 267 HB3 CYS 35 HB1 CYS 35 -4.572 -9.854 0.787 268 HA PRO 36 HA PRO 36 -8.783 -8.761 -2.723 269 HB2 PRO 36 HB2 PRO 36 -9.531 -11.645 -3.164 270 HB3 PRO 36 HB1 PRO 36 -9.808 -10.237 -4.202 271 HG2 PRO 36 HG2 PRO 36 -7.926 -12.009 -4.850 272 HG3 PRO 36 HG1 PRO 36 -7.640 -10.268 -5.064 273 HD2 PRO 36 HD2 PRO 36 -6.669 -12.081 -2.846 274 HD3 PRO 36 HD1 PRO 36 -5.773 -10.850 -3.773 275 H ILE 37 HN ILE 37 -8.362 -11.811 -0.830 276 HA ILE 37 HA ILE 37 -10.923 -11.564 0.416 277 HB ILE 37 HB ILE 37 -8.650 -13.485 1.064 278 HG12 ILE 37 HG12 ILE 37 -11.003 -13.897 -0.866 279 HG13 ILE 37 HG11 ILE 37 -9.345 -13.568 -1.363 280 HG21 ILE 37 HG21 ILE 37 -11.628 -13.710 1.658 281 HG22 ILE 37 HG22 ILE 37 -10.356 -13.405 2.837 282 HG23 ILE 37 HG23 ILE 37 -10.417 -14.950 1.995 283 HD11 ILE 37 HD11 ILE 37 -10.276 -16.010 0.143 284 HD12 ILE 37 HD12 ILE 37 -8.622 -15.688 -0.386 285 HD13 ILE 37 HD13 ILE 37 -9.900 -15.920 -1.576 286 H CYS 38 HN CYS 38 -7.611 -11.600 1.918 287 HA CYS 38 HA CYS 38 -8.674 -9.846 4.022 288 HB2 CYS 38 HB2 CYS 38 -7.028 -10.985 5.560 289 HB3 CYS 38 HB1 CYS 38 -8.399 -11.922 5.045 290 H GLY 39 HN GLY 39 -6.605 -9.544 1.509 291 HA2 GLY 39 HA2 GLY 39 -5.437 -7.770 0.843 292 HA3 GLY 39 HA1 GLY 39 -6.137 -6.886 2.196 293 H GLU 40 HN GLU 40 -3.977 -9.595 2.656 294 HA GLU 40 HA GLU 40 -1.806 -8.360 3.773 295 HB2 GLU 40 HB2 GLU 40 -1.902 -10.896 2.091 296 HB3 GLU 40 HB1 GLU 40 -0.467 -10.372 2.952 297 HG2 GLU 40 HG2 GLU 40 -1.633 -12.107 4.163 298 HG3 GLU 40 HG1 GLU 40 -1.607 -10.612 5.088 299 H ARG 41 HN ARG 41 0.069 -7.476 3.050 300 HA ARG 41 HA ARG 41 0.130 -6.448 0.319 301 HB2 ARG 41 HB2 ARG 41 1.957 -4.991 1.203 302 HB3 ARG 41 HB1 ARG 41 0.451 -4.830 2.096 303 HG2 ARG 41 HG2 ARG 41 1.370 -6.264 3.891 304 HG3 ARG 41 HG1 ARG 41 2.888 -6.397 3.007 305 HD2 ARG 41 HD2 ARG 41 1.702 -3.800 4.035 306 HD3 ARG 41 HD1 ARG 41 2.955 -4.733 4.855 307 HE ARG 41 HE ARG 41 3.609 -3.976 2.139 308 HH11 ARG 41 HH11 ARG 41 3.759 -2.973 5.501 309 HH12 ARG 41 HH12 ARG 41 5.099 -1.900 5.245 310 HH21 ARG 41 HH21 ARG 41 5.386 -2.570 1.823 311 HH22 ARG 41 HH22 ARG 41 6.009 -1.666 3.167 312 H PHE 42 HN PHE 42 1.381 -7.321 -1.211 313 HA PHE 42 HA PHE 42 3.919 -8.635 -0.488 314 HB2 PHE 42 HB2 PHE 42 1.801 -9.766 -2.374 315 HB3 PHE 42 HB1 PHE 42 3.467 -10.322 -2.359 316 HD1 PHE 42 HD2 PHE 42 4.404 -11.504 -0.366 317 HD2 PHE 42 HD1 PHE 42 0.256 -10.487 -0.605 318 HE1 PHE 42 HE2 PHE 42 3.901 -13.069 1.465 319 HE2 PHE 42 HE1 PHE 42 -0.223 -12.039 1.228 320 HZ PHE 42 HZ PHE 42 1.591 -13.334 2.270 321 HA PRO 43 HA PRO 43 5.490 -5.737 -3.426 322 HB2 PRO 43 HB2 PRO 43 7.907 -6.840 -4.067 323 HB3 PRO 43 HB1 PRO 43 7.562 -6.201 -2.452 324 HG2 PRO 43 HG2 PRO 43 7.410 -9.056 -3.424 325 HG3 PRO 43 HG1 PRO 43 8.216 -8.425 -1.971 326 HD2 PRO 43 HD2 PRO 43 5.769 -9.539 -1.837 327 HD3 PRO 43 HD1 PRO 43 6.198 -8.146 -0.817 328 H SER 44 HN SER 44 4.616 -8.898 -4.506 329 HA SER 44 HA SER 44 4.746 -8.126 -7.320 330 HB2 SER 44 HB2 SER 44 6.002 -10.196 -7.965 331 HB3 SER 44 HB1 SER 44 6.969 -9.093 -6.998 332 HG SER 44 HG SER 44 7.321 -10.846 -5.868 333 H LEU 45 HN LEU 45 3.825 -9.799 -8.718 334 HA LEU 45 HA LEU 45 1.387 -10.998 -7.581 335 HB2 LEU 45 HB2 LEU 45 1.729 -9.499 -9.827 336 HB3 LEU 45 HB1 LEU 45 2.054 -11.062 -10.539 337 HG LEU 45 HG LEU 45 -0.547 -10.161 -9.235 338 HD11 LEU 45 HD11 LEU 45 -0.159 -9.180 -11.445 339 HD12 LEU 45 HD12 LEU 45 -1.506 -10.317 -11.484 340 HD13 LEU 45 HD13 LEU 45 0.067 -10.792 -12.138 341 HD21 LEU 45 HD21 LEU 45 0.025 -12.856 -10.510 342 HD22 LEU 45 HD22 LEU 45 -1.543 -12.290 -9.930 343 HD23 LEU 45 HD23 LEU 45 -0.232 -12.557 -8.787 344 H LEU 46 HN LEU 46 3.637 -12.243 -6.726 345 HA LEU 46 HA LEU 46 3.600 -14.872 -7.978 346 HB2 LEU 46 HB2 LEU 46 6.211 -13.418 -7.331 347 HB3 LEU 46 HB1 LEU 46 6.078 -15.126 -7.711 348 HG LEU 46 HG LEU 46 5.069 -14.271 -10.009 349 HD11 LEU 46 HD11 LEU 46 6.684 -11.818 -9.255 350 HD12 LEU 46 HD12 LEU 46 4.932 -11.884 -9.426 351 HD13 LEU 46 HD13 LEU 46 5.958 -12.155 -10.830 352 HD21 LEU 46 HD21 LEU 46 7.172 -15.531 -9.802 353 HD22 LEU 46 HD22 LEU 46 8.042 -14.033 -9.463 354 HD23 LEU 46 HD23 LEU 46 7.283 -14.279 -11.037 355 H THR 47 HN THR 47 5.214 -12.953 -5.431 356 HA THR 47 HA THR 47 4.930 -14.720 -3.297 357 HB THR 47 HB THR 47 5.046 -12.568 -1.866 358 HG1 THR 47 HG1 THR 47 5.783 -11.017 -4.004 359 HG21 THR 47 HG21 THR 47 7.366 -12.010 -2.543 360 HG22 THR 47 HG22 THR 47 7.148 -12.926 -4.038 361 HG23 THR 47 HG23 THR 47 7.110 -13.759 -2.482 362 H LEU 48 HN LEU 48 2.664 -12.256 -4.518 363 HA LEU 48 HA LEU 48 0.574 -12.660 -2.652 364 HB2 LEU 48 HB2 LEU 48 0.866 -10.741 -4.357 365 HB3 LEU 48 HB1 LEU 48 0.210 -11.823 -5.562 366 HG LEU 48 HG LEU 48 -1.421 -10.123 -4.653 367 HD11 LEU 48 HD11 LEU 48 -3.358 -11.569 -4.434 368 HD12 LEU 48 HD12 LEU 48 -2.324 -12.971 -4.158 369 HD13 LEU 48 HD13 LEU 48 -2.305 -12.150 -5.720 370 HD21 LEU 48 HD21 LEU 48 -2.410 -10.427 -2.424 371 HD22 LEU 48 HD22 LEU 48 -0.691 -10.050 -2.336 372 HD23 LEU 48 HD23 LEU 48 -1.243 -11.705 -2.075 373 H THR 49 HN THR 49 1.486 -14.389 -5.607 374 HA THR 49 HA THR 49 -0.906 -15.854 -6.014 375 HB THR 49 HB THR 49 1.930 -16.498 -6.924 376 HG1 THR 49 HG1 THR 49 0.819 -15.603 -8.950 377 HG21 THR 49 HG21 THR 49 0.496 -18.511 -7.107 378 HG22 THR 49 HG22 THR 49 0.862 -17.868 -8.708 379 HG23 THR 49 HG23 THR 49 -0.722 -17.582 -7.981 380 H GLU 50 HN GLU 50 2.219 -16.795 -4.431 381 HA GLU 50 HA GLU 50 1.530 -19.268 -3.466 382 HB2 GLU 50 HB2 GLU 50 3.377 -17.102 -2.468 383 HB3 GLU 50 HB1 GLU 50 3.135 -18.537 -1.476 384 HG2 GLU 50 HG2 GLU 50 5.093 -18.838 -2.791 385 HG3 GLU 50 HG1 GLU 50 3.872 -19.948 -3.363 386 H HIS 51 HN HIS 51 0.907 -16.119 -1.833 387 HA HIS 51 HA HIS 51 -0.425 -17.150 0.432 388 HB2 HIS 51 HB2 HIS 51 0.330 -14.840 0.414 389 HB3 HIS 51 HB1 HIS 51 -0.729 -14.441 -0.932 390 HD1 HIS 51 HD1 HIS 51 -1.119 -15.661 2.692 391 HD2 HIS 51 HD2 HIS 51 -3.058 -13.312 -0.130 392 HE1 HIS 51 HE1 HIS 51 -3.156 -14.704 3.843 393 H LYS 52 HN LYS 52 -1.559 -16.454 -2.792 394 HA LYS 52 HA LYS 52 -4.349 -16.309 -2.182 395 HB2 LYS 52 HB2 LYS 52 -3.160 -15.136 -4.087 396 HB3 LYS 52 HB1 LYS 52 -3.030 -16.682 -4.910 397 HG2 LYS 52 HG2 LYS 52 -5.430 -16.814 -5.155 398 HG3 LYS 52 HG1 LYS 52 -5.659 -15.399 -4.123 399 HD2 LYS 52 HD2 LYS 52 -4.398 -14.024 -5.826 400 HD3 LYS 52 HD1 LYS 52 -4.350 -15.444 -6.875 401 HE2 LYS 52 HE2 LYS 52 -6.850 -14.052 -5.897 402 HE3 LYS 52 HE1 LYS 52 -6.139 -13.873 -7.500 403 HZ1 LYS 52 HZ1 LYS 52 -7.905 -15.410 -7.661 404 HZ2 LYS 52 HZ2 LYS 52 -7.362 -16.310 -6.343 405 HZ3 LYS 52 HZ3 LYS 52 -6.479 -16.313 -7.782 406 H VAL 53 HN VAL 53 -2.191 -18.880 -3.408 407 HA VAL 53 HA VAL 53 -4.376 -20.727 -3.871 408 HB VAL 53 HB VAL 53 -2.649 -22.319 -4.593 409 HG11 VAL 53 HG11 VAL 53 -2.311 -19.568 -5.847 410 HG12 VAL 53 HG12 VAL 53 -3.558 -20.749 -6.249 411 HG13 VAL 53 HG13 VAL 53 -1.867 -21.098 -6.612 412 HG21 VAL 53 HG21 VAL 53 -0.258 -21.689 -4.761 413 HG22 VAL 53 HG22 VAL 53 -0.798 -21.715 -3.079 414 HG23 VAL 53 HG23 VAL 53 -0.601 -20.175 -3.918 415 H THR 54 HN THR 54 -1.776 -20.278 -1.482 416 HA THR 54 HA THR 54 -2.558 -22.541 0.149 417 HB THR 54 HB THR 54 -0.887 -21.745 1.788 418 HG1 THR 54 HG1 THR 54 -1.020 -19.403 0.251 419 HG21 THR 54 HG21 THR 54 -0.018 -23.023 -0.149 420 HG22 THR 54 HG22 THR 54 1.149 -21.815 0.389 421 HG23 THR 54 HG23 THR 54 0.179 -21.518 -1.052 422 H HIS 55 HN HIS 55 -4.347 -19.977 -0.404 423 HA HIS 55 HA HIS 55 -4.915 -18.762 2.037 424 HB2 HIS 55 HB2 HIS 55 -5.782 -18.366 -0.558 425 HB3 HIS 55 HB1 HIS 55 -7.237 -19.036 0.158 426 HD1 HIS 55 HD1 HIS 55 -7.970 -17.709 2.483 427 HD2 HIS 55 HD2 HIS 55 -5.480 -15.749 -0.196 428 HE1 HIS 55 HE1 HIS 55 -8.000 -15.271 3.137 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -10.502 26.021 7.145 2 H2 MET 1 HT2 MET 1 -9.222 25.420 8.059 3 H3 MET 1 HT3 MET 1 -10.690 24.590 8.031 4 HA MET 1 HA MET 1 -10.437 24.121 5.710 5 HB2 MET 1 HB2 MET 1 -9.095 26.108 5.110 6 HB3 MET 1 HB1 MET 1 -7.724 25.492 6.023 7 HG2 MET 1 HG2 MET 1 -7.533 23.585 4.454 8 HG3 MET 1 HG1 MET 1 -8.921 24.203 3.548 9 HE1 MET 1 HE1 MET 1 -8.823 26.323 1.943 10 HE2 MET 1 HE2 MET 1 -7.455 27.448 1.906 11 HE3 MET 1 HE3 MET 1 -8.456 27.319 3.351 12 H GLY 2 HN GLY 2 -7.635 24.079 7.960 13 HA2 GLY 2 HA2 GLY 2 -6.980 22.293 9.302 14 HA3 GLY 2 HA1 GLY 2 -7.967 21.194 8.349 15 H SER 3 HN SER 3 -5.978 19.851 8.537 16 HA SER 3 HA SER 3 -4.218 20.215 6.229 17 HB2 SER 3 HB2 SER 3 -3.122 19.875 9.055 18 HB3 SER 3 HB1 SER 3 -2.157 19.878 7.580 19 HG SER 3 HG SER 3 -3.345 22.071 7.348 20 H HIS 4 HN HIS 4 -5.138 18.357 5.368 21 HA HIS 4 HA HIS 4 -5.168 15.791 6.437 22 HB2 HIS 4 HB2 HIS 4 -5.822 16.512 3.980 23 HB3 HIS 4 HB1 HIS 4 -4.149 16.119 3.571 24 HD1 HIS 4 HD1 HIS 4 -7.435 14.568 3.975 25 HD2 HIS 4 HD2 HIS 4 -3.494 13.313 4.227 26 HE1 HIS 4 HE1 HIS 4 -7.504 12.072 3.833 27 HE2 HIS 4 HE2 HIS 4 -5.130 11.342 4.167 28 H LYS 5 HN LYS 5 -3.522 15.419 7.853 29 HA LYS 5 HA LYS 5 -0.730 15.880 7.134 30 HB2 LYS 5 HB2 LYS 5 -1.668 16.585 9.354 31 HB3 LYS 5 HB1 LYS 5 -1.987 14.900 9.741 32 HG2 LYS 5 HG2 LYS 5 0.485 14.462 9.554 33 HG3 LYS 5 HG1 LYS 5 0.726 16.196 9.343 34 HD2 LYS 5 HD2 LYS 5 -0.506 14.878 11.807 35 HD3 LYS 5 HD1 LYS 5 1.157 15.437 11.678 36 HE2 LYS 5 HE2 LYS 5 0.080 17.161 12.854 37 HE3 LYS 5 HE1 LYS 5 0.134 17.768 11.201 38 HZ1 LYS 5 HZ1 LYS 5 -2.206 16.418 12.431 39 HZ2 LYS 5 HZ2 LYS 5 -2.158 17.150 10.911 40 HZ3 LYS 5 HZ3 LYS 5 -2.019 18.093 12.301 41 H CYS 6 HN CYS 6 0.856 14.204 7.146 42 HA CYS 6 HA CYS 6 -0.092 11.528 6.511 43 HB2 CYS 6 HB2 CYS 6 1.844 12.552 5.307 44 HB3 CYS 6 HB1 CYS 6 2.754 12.569 6.812 45 H ASN 7 HN ASN 7 -0.895 10.557 8.292 46 HA ASN 7 HA ASN 7 -0.469 10.995 10.935 47 HB2 ASN 7 HB2 ASN 7 -2.307 9.630 10.016 48 HB3 ASN 7 HB1 ASN 7 -1.186 8.327 9.654 49 HD21 ASN 7 HD21 ASN 7 -2.818 10.087 12.217 50 HD22 ASN 7 HD22 ASN 7 -2.596 8.896 13.451 51 H VAL 8 HN VAL 8 1.367 8.661 8.981 52 HA VAL 8 HA VAL 8 2.839 7.419 11.061 53 HB VAL 8 HB VAL 8 3.666 7.756 8.135 54 HG11 VAL 8 HG11 VAL 8 5.544 6.995 9.541 55 HG12 VAL 8 HG12 VAL 8 5.014 5.704 8.472 56 HG13 VAL 8 HG13 VAL 8 4.566 5.668 10.179 57 HG21 VAL 8 HG21 VAL 8 2.060 5.500 9.406 58 HG22 VAL 8 HG22 VAL 8 2.605 5.556 7.724 59 HG23 VAL 8 HG23 VAL 8 1.442 6.742 8.316 60 H CYS 9 HN CYS 9 3.660 10.054 8.873 61 HA CYS 9 HA CYS 9 6.290 10.555 9.903 62 HB2 CYS 9 HB2 CYS 9 4.494 12.090 8.012 63 HB3 CYS 9 HB1 CYS 9 6.104 12.646 8.450 64 H SER 10 HN SER 10 3.150 11.891 10.539 65 HA SER 10 HA SER 10 2.243 13.532 11.757 66 HB2 SER 10 HB2 SER 10 4.884 13.527 13.272 67 HB3 SER 10 HB1 SER 10 3.463 14.449 13.765 68 HG SER 10 HG SER 10 2.341 12.530 14.042 69 H ARG 11 HN ARG 11 4.424 14.035 9.485 70 HA ARG 11 HA ARG 11 4.435 16.978 9.666 71 HB2 ARG 11 HB2 ARG 11 5.996 15.124 7.819 72 HB3 ARG 11 HB1 ARG 11 6.152 16.883 7.872 73 HG2 ARG 11 HG2 ARG 11 6.941 16.755 10.197 74 HG3 ARG 11 HG1 ARG 11 6.758 15.000 10.173 75 HD2 ARG 11 HD2 ARG 11 8.481 14.869 8.389 76 HD3 ARG 11 HD1 ARG 11 8.691 16.621 8.474 77 HE ARG 11 HE ARG 11 9.958 16.348 10.353 78 HH11 ARG 11 HH11 ARG 11 8.183 13.331 9.914 79 HH12 ARG 11 HH12 ARG 11 8.984 12.535 11.223 80 HH21 ARG 11 HH21 ARG 11 11.013 15.254 12.041 81 HH22 ARG 11 HH22 ARG 11 10.579 13.616 12.417 82 H THR 12 HN THR 12 4.208 18.089 7.476 83 HA THR 12 HA THR 12 1.583 17.244 6.401 84 HB THR 12 HB THR 12 1.200 19.793 6.276 85 HG1 THR 12 HG1 THR 12 2.547 21.099 7.374 86 HG21 THR 12 HG21 THR 12 0.515 19.971 8.648 87 HG22 THR 12 HG22 THR 12 1.451 18.522 9.026 88 HG23 THR 12 HG23 THR 12 0.045 18.414 7.961 89 H PHE 13 HN PHE 13 0.978 18.127 4.349 90 HA PHE 13 HA PHE 13 2.974 17.811 2.333 91 HB2 PHE 13 HB2 PHE 13 1.064 18.081 0.746 92 HB3 PHE 13 HB1 PHE 13 0.760 16.908 2.009 93 HD1 PHE 13 HD2 PHE 13 -0.098 20.366 0.886 94 HD2 PHE 13 HD1 PHE 13 -1.126 17.144 3.489 95 HE1 PHE 13 HE2 PHE 13 -2.242 21.450 1.385 96 HE2 PHE 13 HE1 PHE 13 -3.268 18.235 3.977 97 HZ PHE 13 HZ PHE 13 -3.843 20.389 2.931 98 H PHE 14 HN PHE 14 2.564 19.281 0.249 99 HA PHE 14 HA PHE 14 2.860 22.144 0.893 100 HB2 PHE 14 HB2 PHE 14 4.883 21.339 -0.191 101 HB3 PHE 14 HB1 PHE 14 3.960 20.483 -1.421 102 HD1 PHE 14 HD1 PHE 14 4.595 23.960 -0.128 103 HD2 PHE 14 HD2 PHE 14 3.550 21.536 -3.501 104 HE1 PHE 14 HE1 PHE 14 4.699 25.939 -1.589 105 HE2 PHE 14 HE2 PHE 14 3.672 23.521 -4.955 106 HZ PHE 14 HZ PHE 14 4.243 25.724 -3.998 107 H SER 15 HN SER 15 1.849 20.008 -1.801 108 HA SER 15 HA SER 15 -0.653 21.556 -2.156 109 HB2 SER 15 HB2 SER 15 -0.725 20.548 -4.414 110 HB3 SER 15 HB1 SER 15 0.803 21.393 -4.169 111 HG SER 15 HG SER 15 1.828 19.568 -4.355 112 H GLU 16 HN GLU 16 -2.598 20.211 -2.674 113 HA GLU 16 HA GLU 16 -3.063 18.441 -0.494 114 HB2 GLU 16 HB2 GLU 16 -5.361 18.203 -1.443 115 HB3 GLU 16 HB1 GLU 16 -4.849 19.880 -1.284 116 HG2 GLU 16 HG2 GLU 16 -4.399 20.026 -3.678 117 HG3 GLU 16 HG1 GLU 16 -4.752 18.312 -3.885 118 H ASN 17 HN ASN 17 -2.639 17.885 -3.980 119 HA ASN 17 HA ASN 17 -3.040 15.030 -3.872 120 HB2 ASN 17 HB2 ASN 17 -1.792 16.738 -6.065 121 HB3 ASN 17 HB1 ASN 17 -2.285 15.054 -6.231 122 HD21 ASN 17 HD21 ASN 17 -3.172 17.300 -7.783 123 HD22 ASN 17 HD22 ASN 17 -4.884 17.405 -7.589 124 H GLY 18 HN GLY 18 -0.442 17.240 -3.420 125 HA2 GLY 18 HA2 GLY 18 1.853 15.672 -3.718 126 HA3 GLY 18 HA1 GLY 18 1.680 17.019 -2.602 127 H LEU 19 HN LEU 19 -0.385 15.915 -0.942 128 HA LEU 19 HA LEU 19 1.119 14.204 0.797 129 HB2 LEU 19 HB2 LEU 19 -0.793 15.900 1.365 130 HB3 LEU 19 HB1 LEU 19 -1.900 14.603 1.015 131 HG LEU 19 HG LEU 19 -1.418 14.934 3.456 132 HD11 LEU 19 HD11 LEU 19 -2.278 12.796 2.756 133 HD12 LEU 19 HD12 LEU 19 -1.150 12.596 4.095 134 HD13 LEU 19 HD13 LEU 19 -0.646 12.198 2.447 135 HD21 LEU 19 HD21 LEU 19 0.692 14.206 4.446 136 HD22 LEU 19 HD22 LEU 19 0.939 15.556 3.340 137 HD23 LEU 19 HD23 LEU 19 1.365 13.919 2.837 138 H ARG 20 HN ARG 20 -1.506 13.739 -1.477 139 HA ARG 20 HA ARG 20 -2.179 11.053 -0.892 140 HB2 ARG 20 HB2 ARG 20 -2.462 12.440 -3.590 141 HB3 ARG 20 HB1 ARG 20 -3.403 11.075 -2.993 142 HG2 ARG 20 HG2 ARG 20 -3.490 13.929 -1.953 143 HG3 ARG 20 HG1 ARG 20 -4.730 13.109 -2.897 144 HD2 ARG 20 HD2 ARG 20 -5.013 11.486 -1.012 145 HD3 ARG 20 HD1 ARG 20 -3.868 12.439 -0.064 146 HE ARG 20 HE ARG 20 -5.611 14.323 -0.610 147 HH11 ARG 20 HH11 ARG 20 -6.321 10.992 0.271 148 HH12 ARG 20 HH12 ARG 20 -7.820 11.394 1.039 149 HH21 ARG 20 HH21 ARG 20 -7.588 14.816 0.407 150 HH22 ARG 20 HH22 ARG 20 -8.547 13.549 1.104 151 H GLU 21 HN GLU 21 0.064 12.452 -3.249 152 HA GLU 21 HA GLU 21 1.002 10.049 -4.391 153 HB2 GLU 21 HB2 GLU 21 1.243 12.300 -5.463 154 HB3 GLU 21 HB1 GLU 21 2.388 12.755 -4.204 155 HG2 GLU 21 HG2 GLU 21 3.906 10.930 -4.967 156 HG3 GLU 21 HG1 GLU 21 2.774 10.563 -6.266 157 H HIS 22 HN HIS 22 2.216 12.128 -1.784 158 HA HIS 22 HA HIS 22 4.556 10.719 -1.133 159 HB2 HIS 22 HB2 HIS 22 4.336 12.964 -0.296 160 HB3 HIS 22 HB1 HIS 22 2.802 12.610 0.488 161 HD1 HIS 22 HD1 HIS 22 6.512 11.768 0.876 162 HD2 HIS 22 HD2 HIS 22 2.993 11.852 3.076 163 HE1 HIS 22 HE1 HIS 22 7.131 11.112 3.237 164 H LEU 23 HN LEU 23 1.206 10.082 -0.304 165 HA LEU 23 HA LEU 23 1.573 8.710 2.133 166 HB2 LEU 23 HB2 LEU 23 -0.576 9.731 1.123 167 HB3 LEU 23 HB1 LEU 23 -0.727 8.231 0.223 168 HG LEU 23 HG LEU 23 -0.675 7.007 2.464 169 HD11 LEU 23 HD11 LEU 23 -1.049 9.804 3.578 170 HD12 LEU 23 HD12 LEU 23 0.350 8.759 3.831 171 HD13 LEU 23 HD13 LEU 23 -1.216 8.300 4.496 172 HD21 LEU 23 HD21 LEU 23 -2.983 8.931 2.002 173 HD22 LEU 23 HD22 LEU 23 -3.041 7.471 2.991 174 HD23 LEU 23 HD23 LEU 23 -2.794 7.344 1.251 175 H GLN 24 HN GLN 24 2.019 7.725 -1.158 176 HA GLN 24 HA GLN 24 1.490 4.962 -1.051 177 HB2 GLN 24 HB2 GLN 24 3.245 6.608 -2.886 178 HB3 GLN 24 HB1 GLN 24 2.831 4.921 -3.167 179 HG2 GLN 24 HG2 GLN 24 0.842 7.197 -2.986 180 HG3 GLN 24 HG1 GLN 24 1.458 6.485 -4.466 181 HE21 GLN 24 HE21 GLN 24 0.849 4.343 -5.016 182 HE22 GLN 24 HE22 GLN 24 -0.569 3.616 -4.352 183 H THR 25 HN THR 25 4.167 6.814 0.041 184 HA THR 25 HA THR 25 6.268 4.891 -0.114 185 HB THR 25 HB THR 25 7.510 6.427 1.378 186 HG1 THR 25 HG1 THR 25 5.725 8.430 1.578 187 HG21 THR 25 HG21 THR 25 5.912 7.940 -0.710 188 HG22 THR 25 HG22 THR 25 7.394 7.031 -1.010 189 HG23 THR 25 HG23 THR 25 7.436 8.478 0.001 190 H HIS 26 HN HIS 26 3.525 4.934 1.854 191 HA HIS 26 HA HIS 26 4.807 3.338 4.014 192 HB2 HIS 26 HB2 HIS 26 2.331 5.084 4.344 193 HB3 HIS 26 HB1 HIS 26 3.222 4.257 5.620 194 HD1 HIS 26 HD1 HIS 26 5.735 5.252 6.053 195 HD2 HIS 26 HD2 HIS 26 3.117 7.624 3.873 196 HE1 HIS 26 HE1 HIS 26 6.698 7.582 6.081 197 H ARG 27 HN ARG 27 2.347 3.501 1.588 198 HA ARG 27 HA ARG 27 0.874 1.172 2.719 199 HB2 ARG 27 HB2 ARG 27 -1.127 2.023 1.515 200 HB3 ARG 27 HB1 ARG 27 -0.519 3.187 2.688 201 HG2 ARG 27 HG2 ARG 27 0.540 4.475 0.883 202 HG3 ARG 27 HG1 ARG 27 -0.020 3.301 -0.306 203 HD2 ARG 27 HD2 ARG 27 -1.896 4.881 1.475 204 HD3 ARG 27 HD1 ARG 27 -1.385 5.432 -0.121 205 HE ARG 27 HE ARG 27 -2.351 3.135 -0.845 206 HH11 ARG 27 HH11 ARG 27 -3.744 5.136 1.684 207 HH12 ARG 27 HH12 ARG 27 -5.375 4.717 1.271 208 HH21 ARG 27 HH21 ARG 27 -4.491 2.634 -1.386 209 HH22 ARG 27 HH22 ARG 27 -5.800 3.295 -0.451 210 H GLY 28 HN GLY 28 3.185 1.628 0.531 211 HA2 GLY 28 HA2 GLY 28 2.046 0.153 -1.724 212 HA3 GLY 28 HA1 GLY 28 3.688 0.751 -1.562 213 HA PRO 29 HA PRO 29 3.676 -3.946 -0.892 214 HB2 PRO 29 HB2 PRO 29 5.859 -3.767 -2.940 215 HB3 PRO 29 HB1 PRO 29 4.530 -4.929 -2.823 216 HG2 PRO 29 HG2 PRO 29 4.493 -3.008 -4.686 217 HG3 PRO 29 HG1 PRO 29 3.002 -3.483 -3.842 218 HD2 PRO 29 HD2 PRO 29 4.762 -1.075 -3.353 219 HD3 PRO 29 HD1 PRO 29 2.987 -1.177 -3.412 220 H ALA 30 HN ALA 30 4.783 -4.414 0.901 221 HA ALA 30 HA ALA 30 7.273 -3.070 1.644 222 HB1 ALA 30 HB1 ALA 30 5.519 -3.301 3.359 223 HB2 ALA 30 HB2 ALA 30 6.966 -4.191 3.832 224 HB3 ALA 30 HB3 ALA 30 5.566 -5.059 3.190 225 H LYS 31 HN LYS 31 9.199 -3.955 1.233 226 HA LYS 31 HA LYS 31 9.901 -6.031 -0.268 227 HB2 LYS 31 HB2 LYS 31 11.472 -5.076 2.156 228 HB3 LYS 31 HB1 LYS 31 12.143 -5.943 0.781 229 HG2 LYS 31 HG2 LYS 31 11.588 -4.058 -0.707 230 HG3 LYS 31 HG1 LYS 31 10.888 -3.182 0.661 231 HD2 LYS 31 HD2 LYS 31 13.804 -4.024 0.367 232 HD3 LYS 31 HD1 LYS 31 13.175 -2.383 0.174 233 HE2 LYS 31 HE2 LYS 31 12.529 -2.324 2.531 234 HE3 LYS 31 HE1 LYS 31 13.054 -3.993 2.759 235 HZ1 LYS 31 HZ1 LYS 31 15.311 -3.284 2.180 236 HZ2 LYS 31 HZ2 LYS 31 14.718 -2.497 3.554 237 HZ3 LYS 31 HZ3 LYS 31 14.778 -1.680 2.077 238 H HIS 32 HN HIS 32 8.545 -7.844 0.160 239 HA HIS 32 HA HIS 32 8.944 -9.551 2.455 240 HB2 HIS 32 HB2 HIS 32 7.606 -10.067 -0.243 241 HB3 HIS 32 HB1 HIS 32 7.540 -11.174 1.130 242 HD1 HIS 32 HD1 HIS 32 5.403 -8.928 -0.448 243 HD2 HIS 32 HD2 HIS 32 6.486 -9.426 3.535 244 HE1 HIS 32 HE1 HIS 32 3.569 -7.869 0.890 245 HE2 HIS 32 HE2 HIS 32 4.239 -8.174 3.288 246 H TYR 33 HN TYR 33 9.379 -12.031 1.716 247 HA TYR 33 HA TYR 33 11.690 -12.251 -0.037 248 HB2 TYR 33 HB2 TYR 33 12.801 -13.642 2.024 249 HB3 TYR 33 HB1 TYR 33 13.133 -11.939 1.743 250 HD1 TYR 33 HD1 TYR 33 10.677 -14.093 3.653 251 HD2 TYR 33 HD2 TYR 33 12.929 -10.458 3.576 252 HE1 TYR 33 HE1 TYR 33 9.862 -13.537 5.905 253 HE2 TYR 33 HE2 TYR 33 12.115 -9.915 5.830 254 HH TYR 33 HH TYR 33 10.175 -10.467 7.277 255 H MET 34 HN MET 34 10.293 -13.441 -1.270 256 HA MET 34 HA MET 34 9.593 -16.164 -0.329 257 HB2 MET 34 HB2 MET 34 7.523 -14.749 -0.394 258 HB3 MET 34 HB1 MET 34 7.864 -14.331 -2.066 259 HG2 MET 34 HG2 MET 34 7.642 -16.771 -2.653 260 HG3 MET 34 HG1 MET 34 7.125 -17.067 -0.993 261 HE1 MET 34 HE1 MET 34 4.726 -14.560 -4.059 262 HE2 MET 34 HE2 MET 34 6.213 -15.428 -4.455 263 HE3 MET 34 HE3 MET 34 6.267 -14.017 -3.399 264 H CYS 35 HN CYS 35 10.693 -17.575 -1.578 265 HA CYS 35 HA CYS 35 12.451 -16.854 -3.596 266 HB2 CYS 35 HB2 CYS 35 12.665 -18.891 -2.278 267 HB3 CYS 35 HB1 CYS 35 11.212 -19.541 -2.965 268 HA PRO 36 HA PRO 36 9.724 -16.536 -7.218 269 HB2 PRO 36 HB2 PRO 36 11.672 -16.696 -9.202 270 HB3 PRO 36 HB1 PRO 36 11.346 -15.230 -8.267 271 HG2 PRO 36 HG2 PRO 36 13.478 -17.328 -7.812 272 HG3 PRO 36 HG1 PRO 36 13.630 -15.554 -7.806 273 HD2 PRO 36 HD2 PRO 36 13.449 -16.934 -5.502 274 HD3 PRO 36 HD1 PRO 36 12.662 -15.349 -5.675 275 H ILE 37 HN ILE 37 12.175 -19.144 -7.003 276 HA ILE 37 HA ILE 37 10.959 -20.704 -9.103 277 HB ILE 37 HB ILE 37 13.254 -21.412 -7.222 278 HG12 ILE 37 HG12 ILE 37 13.420 -20.134 -10.000 279 HG13 ILE 37 HG11 ILE 37 13.669 -19.263 -8.493 280 HG21 ILE 37 HG21 ILE 37 12.314 -23.358 -8.403 281 HG22 ILE 37 HG22 ILE 37 13.933 -22.994 -8.984 282 HG23 ILE 37 HG23 ILE 37 12.531 -22.540 -9.953 283 HD11 ILE 37 HD11 ILE 37 15.387 -21.493 -9.579 284 HD12 ILE 37 HD12 ILE 37 15.634 -20.670 -8.038 285 HD13 ILE 37 HD13 ILE 37 15.772 -19.771 -9.546 286 H CYS 38 HN CYS 38 11.634 -21.350 -5.598 287 HA CYS 38 HA CYS 38 9.453 -23.355 -5.622 288 HB2 CYS 38 HB2 CYS 38 10.741 -24.759 -4.231 289 HB3 CYS 38 HB1 CYS 38 11.848 -24.194 -5.462 290 H GLY 39 HN GLY 39 10.051 -20.354 -4.325 291 HA2 GLY 39 HA2 GLY 39 8.916 -19.112 -2.872 292 HA3 GLY 39 HA1 GLY 39 7.692 -20.370 -2.856 293 H GLU 40 HN GLU 40 10.909 -21.111 -1.710 294 HA GLU 40 HA GLU 40 10.262 -21.463 0.979 295 HB2 GLU 40 HB2 GLU 40 12.964 -20.888 -0.297 296 HB3 GLU 40 HB1 GLU 40 12.732 -21.451 1.357 297 HG2 GLU 40 HG2 GLU 40 11.971 -22.947 -1.158 298 HG3 GLU 40 HG1 GLU 40 13.357 -23.279 -0.132 299 H ARG 41 HN ARG 41 10.611 -20.269 2.790 300 HA ARG 41 HA ARG 41 10.791 -17.328 2.528 301 HB2 ARG 41 HB2 ARG 41 9.680 -17.287 4.737 302 HB3 ARG 41 HB1 ARG 41 8.743 -18.232 3.584 303 HG2 ARG 41 HG2 ARG 41 10.041 -20.284 4.663 304 HG3 ARG 41 HG1 ARG 41 10.297 -19.165 6.001 305 HD2 ARG 41 HD2 ARG 41 8.318 -20.548 6.411 306 HD3 ARG 41 HD1 ARG 41 7.839 -18.859 6.195 307 HE ARG 41 HE ARG 41 7.096 -19.401 3.957 308 HH11 ARG 41 HH11 ARG 41 7.689 -22.218 5.979 309 HH12 ARG 41 HH12 ARG 41 6.696 -23.254 5.009 310 HH21 ARG 41 HH21 ARG 41 5.825 -20.785 2.710 311 HH22 ARG 41 HH22 ARG 41 5.656 -22.453 3.159 312 H PHE 42 HN PHE 42 12.440 -16.232 3.550 313 HA PHE 42 HA PHE 42 14.281 -17.701 5.355 314 HB2 PHE 42 HB2 PHE 42 14.950 -16.072 2.879 315 HB3 PHE 42 HB1 PHE 42 16.098 -16.134 4.205 316 HD1 PHE 42 HD1 PHE 42 14.281 -18.282 1.749 317 HD2 PHE 42 HD2 PHE 42 17.457 -18.064 4.599 318 HE1 PHE 42 HE1 PHE 42 15.099 -20.478 1.018 319 HE2 PHE 42 HE2 PHE 42 18.271 -20.258 3.850 320 HZ PHE 42 HZ PHE 42 17.091 -21.472 2.066 321 HA PRO 43 HA PRO 43 13.804 -14.502 8.312 322 HB2 PRO 43 HB2 PRO 43 16.344 -14.093 9.337 323 HB3 PRO 43 HB1 PRO 43 15.368 -15.531 9.680 324 HG2 PRO 43 HG2 PRO 43 17.528 -15.166 7.599 325 HG3 PRO 43 HG1 PRO 43 17.310 -16.490 8.767 326 HD2 PRO 43 HD2 PRO 43 16.519 -16.775 6.226 327 HD3 PRO 43 HD1 PRO 43 15.536 -17.440 7.552 328 H SER 44 HN SER 44 15.854 -13.815 5.605 329 HA SER 44 HA SER 44 15.327 -10.952 5.866 330 HB2 SER 44 HB2 SER 44 17.729 -10.334 5.499 331 HB3 SER 44 HB1 SER 44 17.477 -11.151 7.032 332 HG SER 44 HG SER 44 19.209 -12.153 6.179 333 H LEU 45 HN LEU 45 16.054 -9.760 3.983 334 HA LEU 45 HA LEU 45 15.669 -11.193 1.441 335 HB2 LEU 45 HB2 LEU 45 14.560 -8.877 2.327 336 HB3 LEU 45 HB1 LEU 45 16.019 -8.191 1.646 337 HG LEU 45 HG LEU 45 13.882 -9.747 0.131 338 HD11 LEU 45 HD11 LEU 45 13.185 -7.482 0.760 339 HD12 LEU 45 HD12 LEU 45 13.393 -7.627 -0.982 340 HD13 LEU 45 HD13 LEU 45 14.625 -6.811 -0.013 341 HD21 LEU 45 HD21 LEU 45 15.080 -9.178 -1.932 342 HD22 LEU 45 HD22 LEU 45 16.073 -10.184 -0.878 343 HD23 LEU 45 HD23 LEU 45 16.384 -8.451 -0.987 344 H LEU 46 HN LEU 46 17.891 -11.994 2.534 345 HA LEU 46 HA LEU 46 20.134 -10.937 1.010 346 HB2 LEU 46 HB2 LEU 46 20.189 -11.169 4.062 347 HB3 LEU 46 HB1 LEU 46 21.633 -11.036 3.073 348 HG LEU 46 HG LEU 46 19.488 -8.888 3.348 349 HD11 LEU 46 HD11 LEU 46 22.294 -9.005 4.494 350 HD12 LEU 46 HD12 LEU 46 20.783 -9.086 5.402 351 HD13 LEU 46 HD13 LEU 46 21.224 -7.603 4.559 352 HD21 LEU 46 HD21 LEU 46 20.510 -8.780 1.121 353 HD22 LEU 46 HD22 LEU 46 22.126 -8.811 1.827 354 HD23 LEU 46 HD23 LEU 46 21.068 -7.429 2.107 355 H THR 47 HN THR 47 19.153 -13.148 3.628 356 HA THR 47 HA THR 47 20.592 -15.424 2.797 357 HB THR 47 HB THR 47 18.734 -16.663 4.162 358 HG1 THR 47 HG1 THR 47 18.061 -14.297 5.392 359 HG21 THR 47 HG21 THR 47 20.342 -14.479 5.535 360 HG22 THR 47 HG22 THR 47 20.940 -16.090 5.126 361 HG23 THR 47 HG23 THR 47 19.646 -15.904 6.313 362 H LEU 48 HN LEU 48 17.347 -14.257 1.901 363 HA LEU 48 HA LEU 48 16.594 -16.477 0.295 364 HB2 LEU 48 HB2 LEU 48 15.118 -14.628 1.286 365 HB3 LEU 48 HB1 LEU 48 15.640 -13.599 -0.024 366 HG LEU 48 HG LEU 48 13.317 -14.717 -0.216 367 HD11 LEU 48 HD11 LEU 48 14.302 -13.602 -2.131 368 HD12 LEU 48 HD12 LEU 48 13.439 -15.052 -2.640 369 HD13 LEU 48 HD13 LEU 48 15.205 -15.056 -2.557 370 HD21 LEU 48 HD21 LEU 48 14.954 -17.168 -0.938 371 HD22 LEU 48 HD22 LEU 48 13.204 -16.997 -1.104 372 HD23 LEU 48 HD23 LEU 48 13.942 -16.977 0.495 373 H THR 49 HN THR 49 18.579 -13.651 -0.347 374 HA THR 49 HA THR 49 18.798 -13.856 -3.177 375 HB THR 49 HB THR 49 20.809 -12.666 -1.207 376 HG1 THR 49 HG1 THR 49 19.637 -10.687 -1.704 377 HG21 THR 49 HG21 THR 49 20.336 -12.026 -4.144 378 HG22 THR 49 HG22 THR 49 21.727 -12.893 -3.493 379 HG23 THR 49 HG23 THR 49 21.473 -11.199 -3.076 380 H GLU 50 HN GLU 50 20.793 -15.029 -0.496 381 HA GLU 50 HA GLU 50 22.843 -16.344 -1.903 382 HB2 GLU 50 HB2 GLU 50 21.667 -17.163 0.791 383 HB3 GLU 50 HB1 GLU 50 23.243 -17.641 0.165 384 HG2 GLU 50 HG2 GLU 50 23.954 -15.263 0.223 385 HG3 GLU 50 HG1 GLU 50 22.393 -14.826 0.902 386 H HIS 51 HN HIS 51 19.782 -17.595 -0.645 387 HA HIS 51 HA HIS 51 19.916 -20.261 -1.453 388 HB2 HIS 51 HB2 HIS 51 18.274 -19.587 0.151 389 HB3 HIS 51 HB1 HIS 51 17.604 -18.367 -0.923 390 HD1 HIS 51 HD1 HIS 51 17.715 -22.169 -0.568 391 HD2 HIS 51 HD2 HIS 51 15.489 -19.182 -2.396 392 HE1 HIS 51 HE1 HIS 51 15.714 -23.309 -1.605 393 H LYS 52 HN LYS 52 18.786 -17.414 -3.198 394 HA LYS 52 HA LYS 52 17.434 -18.638 -5.323 395 HB2 LYS 52 HB2 LYS 52 17.280 -16.216 -4.669 396 HB3 LYS 52 HB1 LYS 52 18.877 -15.958 -5.357 397 HG2 LYS 52 HG2 LYS 52 17.974 -16.689 -7.589 398 HG3 LYS 52 HG1 LYS 52 16.370 -16.773 -6.861 399 HD2 LYS 52 HD2 LYS 52 18.089 -14.262 -7.097 400 HD3 LYS 52 HD1 LYS 52 16.729 -14.668 -8.139 401 HE2 LYS 52 HE2 LYS 52 15.848 -13.101 -6.637 402 HE3 LYS 52 HE1 LYS 52 15.303 -14.637 -5.976 403 HZ1 LYS 52 HZ1 LYS 52 17.669 -13.110 -5.030 404 HZ2 LYS 52 HZ2 LYS 52 17.048 -14.516 -4.327 405 HZ3 LYS 52 HZ3 LYS 52 16.146 -13.084 -4.298 406 H VAL 53 HN VAL 53 20.849 -17.617 -5.087 407 HA VAL 53 HA VAL 53 21.386 -18.196 -7.853 408 HB VAL 53 HB VAL 53 23.662 -17.431 -7.392 409 HG11 VAL 53 HG11 VAL 53 21.596 -15.625 -6.079 410 HG12 VAL 53 HG12 VAL 53 21.945 -15.709 -7.806 411 HG13 VAL 53 HG13 VAL 53 23.169 -15.104 -6.690 412 HG21 VAL 53 HG21 VAL 53 24.357 -16.632 -5.137 413 HG22 VAL 53 HG22 VAL 53 24.049 -18.369 -5.152 414 HG23 VAL 53 HG23 VAL 53 22.855 -17.269 -4.464 415 H THR 54 HN THR 54 22.114 -19.765 -4.751 416 HA THR 54 HA THR 54 23.610 -21.947 -6.052 417 HB THR 54 HB THR 54 24.028 -22.703 -3.643 418 HG1 THR 54 HG1 THR 54 23.249 -20.117 -2.833 419 HG21 THR 54 HG21 THR 54 25.741 -21.425 -4.864 420 HG22 THR 54 HG22 THR 54 25.713 -20.965 -3.160 421 HG23 THR 54 HG23 THR 54 24.979 -19.910 -4.372 422 H HIS 55 HN HIS 55 20.995 -22.006 -6.833 423 HA HIS 55 HA HIS 55 19.164 -23.001 -4.879 424 HB2 HIS 55 HB2 HIS 55 18.731 -21.527 -7.043 425 HB3 HIS 55 HB1 HIS 55 18.609 -23.082 -7.862 426 HD1 HIS 55 HD1 HIS 55 16.540 -24.623 -7.105 427 HD2 HIS 55 HD2 HIS 55 16.676 -20.820 -5.465 428 HE1 HIS 55 HE1 HIS 55 14.286 -24.242 -6.008 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -7.467 28.579 5.446 2 H2 MET 1 HT2 MET 1 -8.542 27.578 4.610 3 H3 MET 1 HT3 MET 1 -6.993 27.847 3.999 4 HA MET 1 HA MET 1 -5.991 26.714 5.833 5 HB2 MET 1 HB2 MET 1 -8.867 26.260 6.759 6 HB3 MET 1 HB1 MET 1 -7.467 25.443 7.446 7 HG2 MET 1 HG2 MET 1 -8.124 27.242 8.904 8 HG3 MET 1 HG1 MET 1 -6.575 27.647 8.168 9 HE1 MET 1 HE1 MET 1 -8.476 29.760 9.665 10 HE2 MET 1 HE2 MET 1 -8.398 31.134 8.564 11 HE3 MET 1 HE3 MET 1 -6.936 30.231 8.938 12 H GLY 2 HN GLY 2 -6.357 24.150 6.243 13 HA2 GLY 2 HA2 GLY 2 -7.312 22.113 5.411 14 HA3 GLY 2 HA1 GLY 2 -7.599 22.887 3.862 15 H SER 3 HN SER 3 -5.276 21.245 5.866 16 HA SER 3 HA SER 3 -3.675 20.691 3.460 17 HB2 SER 3 HB2 SER 3 -2.464 21.412 6.176 18 HB3 SER 3 HB1 SER 3 -1.564 20.875 4.758 19 HG SER 3 HG SER 3 -2.920 22.882 3.880 20 H HIS 4 HN HIS 4 -4.656 18.727 3.390 21 HA HIS 4 HA HIS 4 -4.765 16.680 5.195 22 HB2 HIS 4 HB2 HIS 4 -4.036 16.507 2.257 23 HB3 HIS 4 HB1 HIS 4 -4.087 15.047 3.244 24 HD1 HIS 4 HD1 HIS 4 -6.157 16.406 0.880 25 HD2 HIS 4 HD2 HIS 4 -6.824 15.440 4.865 26 HE1 HIS 4 HE1 HIS 4 -8.633 16.133 1.101 27 HE2 HIS 4 HE2 HIS 4 -9.022 15.695 3.540 28 H LYS 5 HN LYS 5 -3.477 15.535 6.385 29 HA LYS 5 HA LYS 5 -0.566 16.048 6.392 30 HB2 LYS 5 HB2 LYS 5 -1.849 16.879 8.342 31 HB3 LYS 5 HB1 LYS 5 -2.510 15.274 8.616 32 HG2 LYS 5 HG2 LYS 5 -0.158 14.466 9.057 33 HG3 LYS 5 HG1 LYS 5 0.372 16.144 8.956 34 HD2 LYS 5 HD2 LYS 5 -1.657 15.084 10.970 35 HD3 LYS 5 HD1 LYS 5 0.061 15.298 11.302 36 HE2 LYS 5 HE2 LYS 5 -0.975 17.206 12.228 37 HE3 LYS 5 HE1 LYS 5 -0.295 17.775 10.709 38 HZ1 LYS 5 HZ1 LYS 5 -3.132 16.988 11.083 39 HZ2 LYS 5 HZ2 LYS 5 -2.454 17.712 9.716 40 HZ3 LYS 5 HZ3 LYS 5 -2.554 18.573 11.159 41 H CYS 6 HN CYS 6 0.877 14.319 6.659 42 HA CYS 6 HA CYS 6 0.004 11.604 6.103 43 HB2 CYS 6 HB2 CYS 6 2.142 12.549 5.186 44 HB3 CYS 6 HB1 CYS 6 2.764 12.697 6.815 45 H ASN 7 HN ASN 7 -1.026 10.658 7.859 46 HA ASN 7 HA ASN 7 -0.679 11.161 10.565 47 HB2 ASN 7 HB2 ASN 7 -2.596 9.904 9.642 48 HB3 ASN 7 HB1 ASN 7 -1.542 8.552 9.238 49 HD21 ASN 7 HD21 ASN 7 -2.787 7.113 10.512 50 HD22 ASN 7 HD22 ASN 7 -2.747 7.146 12.239 51 H VAL 8 HN VAL 8 1.064 8.844 8.520 52 HA VAL 8 HA VAL 8 2.447 7.388 10.467 53 HB VAL 8 HB VAL 8 3.404 8.069 7.648 54 HG11 VAL 8 HG11 VAL 8 5.207 7.132 9.029 55 HG12 VAL 8 HG12 VAL 8 4.710 5.971 7.801 56 HG13 VAL 8 HG13 VAL 8 4.191 5.757 9.475 57 HG21 VAL 8 HG21 VAL 8 1.724 5.700 8.561 58 HG22 VAL 8 HG22 VAL 8 2.352 5.946 6.926 59 HG23 VAL 8 HG23 VAL 8 1.166 7.066 7.599 60 H CYS 9 HN CYS 9 3.707 10.087 8.511 61 HA CYS 9 HA CYS 9 6.055 10.533 10.075 62 HB2 CYS 9 HB2 CYS 9 4.613 12.297 8.069 63 HB3 CYS 9 HB1 CYS 9 6.158 12.711 8.794 64 H SER 10 HN SER 10 2.839 11.641 10.348 65 HA SER 10 HA SER 10 1.607 13.034 11.562 66 HB2 SER 10 HB2 SER 10 2.230 13.794 13.783 67 HB3 SER 10 HB1 SER 10 2.756 12.124 13.582 68 HG SER 10 HG SER 10 4.802 12.734 13.668 69 H ARG 11 HN ARG 11 4.078 13.976 9.745 70 HA ARG 11 HA ARG 11 3.677 16.874 10.007 71 HB2 ARG 11 HB2 ARG 11 5.603 15.351 8.180 72 HB3 ARG 11 HB1 ARG 11 5.594 17.089 8.486 73 HG2 ARG 11 HG2 ARG 11 6.222 14.928 10.531 74 HG3 ARG 11 HG1 ARG 11 7.409 15.942 9.701 75 HD2 ARG 11 HD2 ARG 11 5.224 17.008 11.532 76 HD3 ARG 11 HD1 ARG 11 6.877 16.666 12.046 77 HE ARG 11 HE ARG 11 7.127 18.356 9.908 78 HH11 ARG 11 HH11 ARG 11 5.433 18.616 12.978 79 HH12 ARG 11 HH12 ARG 11 5.771 20.307 13.135 80 HH21 ARG 11 HH21 ARG 11 7.548 20.567 10.160 81 HH22 ARG 11 HH22 ARG 11 6.956 21.399 11.564 82 H THR 12 HN THR 12 3.494 18.044 7.880 83 HA THR 12 HA THR 12 1.477 16.729 6.127 84 HB THR 12 HB THR 12 0.433 18.380 7.719 85 HG1 THR 12 HG1 THR 12 0.311 19.246 5.003 86 HG21 THR 12 HG21 THR 12 2.263 20.032 7.892 87 HG22 THR 12 HG22 THR 12 0.770 20.807 7.365 88 HG23 THR 12 HG23 THR 12 2.041 20.462 6.192 89 H PHE 13 HN PHE 13 1.468 17.393 3.948 90 HA PHE 13 HA PHE 13 3.928 18.573 2.871 91 HB2 PHE 13 HB2 PHE 13 2.609 16.529 1.861 92 HB3 PHE 13 HB1 PHE 13 1.478 17.721 1.260 93 HD1 PHE 13 HD2 PHE 13 4.950 16.450 0.980 94 HD2 PHE 13 HD1 PHE 13 2.046 19.108 -0.680 95 HE1 PHE 13 HE2 PHE 13 6.354 16.743 -1.019 96 HE2 PHE 13 HE1 PHE 13 3.459 19.398 -2.670 97 HZ PHE 13 HZ PHE 13 5.610 18.218 -2.844 98 H PHE 14 HN PHE 14 3.681 20.440 1.260 99 HA PHE 14 HA PHE 14 2.296 22.633 2.406 100 HB2 PHE 14 HB2 PHE 14 4.405 22.827 1.078 101 HB3 PHE 14 HB1 PHE 14 3.534 22.360 -0.377 102 HD1 PHE 14 HD1 PHE 14 3.660 24.988 2.289 103 HD2 PHE 14 HD2 PHE 14 2.494 24.037 -1.714 104 HE1 PHE 14 HE1 PHE 14 3.113 27.350 1.880 105 HE2 PHE 14 HE2 PHE 14 1.954 26.402 -2.115 106 HZ PHE 14 HZ PHE 14 2.263 28.060 -0.317 107 H SER 15 HN SER 15 1.500 20.355 -0.094 108 HA SER 15 HA SER 15 -1.197 21.514 -0.475 109 HB2 SER 15 HB2 SER 15 0.358 21.827 -2.469 110 HB3 SER 15 HB1 SER 15 0.454 20.072 -2.603 111 HG SER 15 HG SER 15 -1.720 21.787 -3.072 112 H GLU 16 HN GLU 16 -2.744 19.693 -1.342 113 HA GLU 16 HA GLU 16 -2.523 17.629 0.741 114 HB2 GLU 16 HB2 GLU 16 -4.931 17.311 0.467 115 HB3 GLU 16 HB1 GLU 16 -4.538 18.992 0.788 116 HG2 GLU 16 HG2 GLU 16 -4.838 19.508 -1.623 117 HG3 GLU 16 HG1 GLU 16 -5.282 17.823 -1.911 118 H ASN 17 HN ASN 17 -2.589 17.903 -2.767 119 HA ASN 17 HA ASN 17 -3.131 15.089 -3.289 120 HB2 ASN 17 HB2 ASN 17 -2.251 17.399 -5.079 121 HB3 ASN 17 HB1 ASN 17 -2.353 15.747 -5.680 122 HD21 ASN 17 HD21 ASN 17 -3.933 16.384 -7.191 123 HD22 ASN 17 HD22 ASN 17 -5.563 16.718 -6.723 124 H GLY 18 HN GLY 18 -0.380 17.272 -3.355 125 HA2 GLY 18 HA2 GLY 18 1.772 15.609 -3.870 126 HA3 GLY 18 HA1 GLY 18 1.838 16.991 -2.787 127 H LEU 19 HN LEU 19 0.141 16.136 -0.750 128 HA LEU 19 HA LEU 19 1.696 14.380 0.811 129 HB2 LEU 19 HB2 LEU 19 0.020 16.150 1.599 130 HB3 LEU 19 HB1 LEU 19 -1.246 15.002 1.269 131 HG LEU 19 HG LEU 19 -0.546 15.192 3.702 132 HD11 LEU 19 HD11 LEU 19 -0.291 12.397 2.585 133 HD12 LEU 19 HD12 LEU 19 -1.795 13.229 2.969 134 HD13 LEU 19 HD13 LEU 19 -0.662 12.833 4.257 135 HD21 LEU 19 HD21 LEU 19 1.866 15.466 3.365 136 HD22 LEU 19 HD22 LEU 19 1.988 13.788 2.815 137 HD23 LEU 19 HD23 LEU 19 1.499 14.147 4.471 138 H ARG 20 HN ARG 20 -1.346 13.874 -0.961 139 HA ARG 20 HA ARG 20 -1.952 11.265 -0.158 140 HB2 ARG 20 HB2 ARG 20 -2.565 12.776 -2.719 141 HB3 ARG 20 HB1 ARG 20 -3.208 11.162 -2.425 142 HG2 ARG 20 HG2 ARG 20 -3.662 13.511 -0.557 143 HG3 ARG 20 HG1 ARG 20 -4.766 13.067 -1.851 144 HD2 ARG 20 HD2 ARG 20 -5.118 10.858 -0.825 145 HD3 ARG 20 HD1 ARG 20 -3.951 11.247 0.439 146 HE ARG 20 HE ARG 20 -5.541 12.450 1.527 147 HH11 ARG 20 HH11 ARG 20 -6.723 12.017 -1.763 148 HH12 ARG 20 HH12 ARG 20 -8.332 12.527 -1.371 149 HH21 ARG 20 HH21 ARG 20 -7.656 13.083 2.019 150 HH22 ARG 20 HH22 ARG 20 -8.855 13.134 0.764 151 H GLU 21 HN GLU 21 0.057 12.295 -2.893 152 HA GLU 21 HA GLU 21 0.734 9.712 -3.810 153 HB2 GLU 21 HB2 GLU 21 0.967 11.921 -5.070 154 HB3 GLU 21 HB1 GLU 21 2.413 12.225 -4.111 155 HG2 GLU 21 HG2 GLU 21 3.448 10.181 -5.041 156 HG3 GLU 21 HG1 GLU 21 2.001 9.887 -6.004 157 H HIS 22 HN HIS 22 2.257 11.942 -1.527 158 HA HIS 22 HA HIS 22 4.517 10.393 -0.788 159 HB2 HIS 22 HB2 HIS 22 4.548 12.744 -0.250 160 HB3 HIS 22 HB1 HIS 22 3.033 12.639 0.637 161 HD1 HIS 22 HD1 HIS 22 6.691 11.694 0.976 162 HD2 HIS 22 HD2 HIS 22 3.243 11.957 3.268 163 HE1 HIS 22 HE1 HIS 22 7.379 11.198 3.358 164 H LEU 23 HN LEU 23 1.162 10.126 0.092 165 HA LEU 23 HA LEU 23 1.458 8.778 2.605 166 HB2 LEU 23 HB2 LEU 23 -0.530 10.186 1.597 167 HB3 LEU 23 HB1 LEU 23 -0.996 8.692 0.817 168 HG LEU 23 HG LEU 23 -0.762 9.030 3.831 169 HD11 LEU 23 HD11 LEU 23 -3.257 9.192 2.110 170 HD12 LEU 23 HD12 LEU 23 -2.477 10.536 2.941 171 HD13 LEU 23 HD13 LEU 23 -3.211 9.234 3.878 172 HD21 LEU 23 HD21 LEU 23 -2.143 6.979 3.956 173 HD22 LEU 23 HD22 LEU 23 -0.601 6.689 3.160 174 HD23 LEU 23 HD23 LEU 23 -2.070 6.831 2.197 175 H GLN 24 HN GLN 24 1.488 7.911 -0.771 176 HA GLN 24 HA GLN 24 0.901 5.106 -0.476 177 HB2 GLN 24 HB2 GLN 24 1.892 6.779 -2.808 178 HB3 GLN 24 HB1 GLN 24 1.474 5.069 -2.919 179 HG2 GLN 24 HG2 GLN 24 -0.432 7.284 -2.108 180 HG3 GLN 24 HG1 GLN 24 -0.325 6.558 -3.696 181 HE21 GLN 24 HE21 GLN 24 -1.037 4.409 -3.991 182 HE22 GLN 24 HE22 GLN 24 -2.074 3.630 -2.854 183 H THR 25 HN THR 25 3.719 7.165 -0.549 184 HA THR 25 HA THR 25 5.693 5.312 -1.300 185 HB THR 25 HB THR 25 7.353 6.896 -0.516 186 HG1 THR 25 HG1 THR 25 5.779 8.842 0.486 187 HG21 THR 25 HG21 THR 25 6.662 8.938 -1.702 188 HG22 THR 25 HG22 THR 25 4.980 8.407 -1.658 189 HG23 THR 25 HG23 THR 25 6.164 7.504 -2.605 190 H HIS 26 HN HIS 26 3.938 5.372 1.603 191 HA HIS 26 HA HIS 26 6.049 4.156 3.266 192 HB2 HIS 26 HB2 HIS 26 3.202 5.059 3.888 193 HB3 HIS 26 HB1 HIS 26 4.199 4.169 5.040 194 HD1 HIS 26 HD1 HIS 26 6.341 5.406 5.950 195 HD2 HIS 26 HD2 HIS 26 3.767 7.750 3.674 196 HE1 HIS 26 HE1 HIS 26 6.958 7.809 6.434 197 H ARG 27 HN ARG 27 3.207 3.325 1.441 198 HA ARG 27 HA ARG 27 3.292 0.500 2.347 199 HB2 ARG 27 HB2 ARG 27 1.153 0.202 1.247 200 HB3 ARG 27 HB1 ARG 27 1.071 1.650 2.243 201 HG2 ARG 27 HG2 ARG 27 1.451 3.024 0.175 202 HG3 ARG 27 HG1 ARG 27 1.374 1.538 -0.774 203 HD2 ARG 27 HD2 ARG 27 -0.772 2.604 -0.896 204 HD3 ARG 27 HD1 ARG 27 -0.959 1.170 0.116 205 HE ARG 27 HE ARG 27 -0.980 3.985 0.990 206 HH11 ARG 27 HH11 ARG 27 -1.455 0.604 1.865 207 HH12 ARG 27 HH12 ARG 27 -2.265 0.991 3.347 208 HH21 ARG 27 HH21 ARG 27 -2.056 4.444 2.926 209 HH22 ARG 27 HH22 ARG 27 -2.620 3.147 3.929 210 H GLY 28 HN GLY 28 4.298 2.505 -0.256 211 HA2 GLY 28 HA2 GLY 28 4.397 0.553 -2.349 212 HA3 GLY 28 HA1 GLY 28 5.063 2.178 -2.367 213 HA PRO 29 HA PRO 29 8.469 -1.149 -2.170 214 HB2 PRO 29 HB2 PRO 29 9.527 0.360 -4.530 215 HB3 PRO 29 HB1 PRO 29 9.329 -1.383 -4.314 216 HG2 PRO 29 HG2 PRO 29 7.697 -0.000 -5.940 217 HG3 PRO 29 HG1 PRO 29 7.087 -1.343 -4.949 218 HD2 PRO 29 HD2 PRO 29 6.863 1.625 -4.460 219 HD3 PRO 29 HD1 PRO 29 5.631 0.356 -4.269 220 H ALA 30 HN ALA 30 9.913 -0.653 -0.661 221 HA ALA 30 HA ALA 30 11.652 1.644 -0.685 222 HB1 ALA 30 HB1 ALA 30 9.597 2.731 0.171 223 HB2 ALA 30 HB2 ALA 30 10.828 2.656 1.428 224 HB3 ALA 30 HB3 ALA 30 9.472 1.526 1.454 225 H LYS 31 HN LYS 31 13.399 1.303 0.724 226 HA LYS 31 HA LYS 31 13.775 -1.322 1.835 227 HB2 LYS 31 HB2 LYS 31 15.464 1.190 2.224 228 HB3 LYS 31 HB1 LYS 31 15.957 -0.452 2.626 229 HG2 LYS 31 HG2 LYS 31 15.788 -1.052 0.207 230 HG3 LYS 31 HG1 LYS 31 15.411 0.634 -0.148 231 HD2 LYS 31 HD2 LYS 31 17.997 -0.315 1.161 232 HD3 LYS 31 HD1 LYS 31 17.811 -0.012 -0.564 233 HE2 LYS 31 HE2 LYS 31 18.870 1.917 0.357 234 HE3 LYS 31 HE1 LYS 31 17.207 2.383 0.025 235 HZ1 LYS 31 HZ1 LYS 31 16.689 2.222 2.339 236 HZ2 LYS 31 HZ2 LYS 31 18.078 3.174 2.181 237 HZ3 LYS 31 HZ3 LYS 31 18.206 1.575 2.702 238 H HIS 32 HN HIS 32 14.309 -1.728 4.117 239 HA HIS 32 HA HIS 32 12.992 0.098 6.051 240 HB2 HIS 32 HB2 HIS 32 12.480 -1.876 7.456 241 HB3 HIS 32 HB1 HIS 32 11.709 -2.000 5.883 242 HD1 HIS 32 HD1 HIS 32 12.161 -4.077 4.563 243 HD2 HIS 32 HD2 HIS 32 14.768 -3.689 7.774 244 HE1 HIS 32 HE1 HIS 32 13.421 -6.237 4.666 245 HE2 HIS 32 HE2 HIS 32 15.068 -5.941 6.548 246 H TYR 33 HN TYR 33 13.971 -0.084 8.264 247 HA TYR 33 HA TYR 33 16.840 0.321 7.916 248 HB2 TYR 33 HB2 TYR 33 14.986 1.840 9.210 249 HB3 TYR 33 HB1 TYR 33 15.507 0.871 10.561 250 HD1 TYR 33 HD2 TYR 33 18.239 0.686 10.732 251 HD2 TYR 33 HD1 TYR 33 16.105 3.909 8.917 252 HE1 TYR 33 HE2 TYR 33 20.174 2.151 11.066 253 HE2 TYR 33 HE1 TYR 33 18.052 5.377 9.250 254 HH TYR 33 HH TYR 33 20.018 5.506 10.751 255 H MET 34 HN MET 34 18.361 -0.956 8.688 256 HA MET 34 HA MET 34 17.806 -3.129 10.621 257 HB2 MET 34 HB2 MET 34 18.846 -3.973 8.570 258 HB3 MET 34 HB1 MET 34 20.059 -2.702 8.595 259 HG2 MET 34 HG2 MET 34 20.945 -3.718 10.737 260 HG3 MET 34 HG1 MET 34 19.851 -5.076 10.461 261 HE1 MET 34 HE1 MET 34 23.608 -6.242 9.559 262 HE2 MET 34 HE2 MET 34 22.289 -6.468 10.708 263 HE3 MET 34 HE3 MET 34 23.209 -4.964 10.704 264 H CYS 35 HN CYS 35 18.780 -2.986 12.626 265 HA CYS 35 HA CYS 35 19.603 -0.494 13.621 266 HB2 CYS 35 HB2 CYS 35 18.629 -2.390 14.960 267 HB3 CYS 35 HB1 CYS 35 20.144 -3.208 14.857 268 HA PRO 36 HA PRO 36 23.960 -0.559 12.180 269 HB2 PRO 36 HB2 PRO 36 24.171 1.691 14.180 270 HB3 PRO 36 HB1 PRO 36 24.718 1.629 12.494 271 HG2 PRO 36 HG2 PRO 36 22.512 2.984 13.097 272 HG3 PRO 36 HG1 PRO 36 22.542 1.957 11.644 273 HD2 PRO 36 HD2 PRO 36 21.314 1.374 14.347 274 HD3 PRO 36 HD1 PRO 36 20.639 1.099 12.722 275 H ILE 37 HN ILE 37 23.053 -0.470 15.648 276 HA ILE 37 HA ILE 37 25.720 -1.223 16.505 277 HB ILE 37 HB ILE 37 23.206 -0.838 18.186 278 HG12 ILE 37 HG12 ILE 37 25.345 1.241 17.488 279 HG13 ILE 37 HG11 ILE 37 23.719 1.204 16.811 280 HG21 ILE 37 HG21 ILE 37 24.782 -0.422 20.036 281 HG22 ILE 37 HG22 ILE 37 26.140 -0.722 18.953 282 HG23 ILE 37 HG23 ILE 37 25.025 -2.026 19.343 283 HD11 ILE 37 HD11 ILE 37 22.800 1.583 19.061 284 HD12 ILE 37 HD12 ILE 37 23.887 2.869 18.536 285 HD13 ILE 37 HD13 ILE 37 24.445 1.667 19.700 286 H CYS 38 HN CYS 38 22.412 -2.729 16.949 287 HA CYS 38 HA CYS 38 23.768 -5.308 17.475 288 HB2 CYS 38 HB2 CYS 38 22.126 -5.849 19.043 289 HB3 CYS 38 HB1 CYS 38 22.431 -4.156 19.349 290 H GLY 39 HN GLY 39 21.947 -3.845 15.090 291 HA2 GLY 39 HA2 GLY 39 21.219 -4.593 13.131 292 HA3 GLY 39 HA1 GLY 39 21.975 -6.136 13.496 293 H GLU 40 HN GLU 40 19.366 -4.972 15.532 294 HA GLU 40 HA GLU 40 17.425 -6.822 14.705 295 HB2 GLU 40 HB2 GLU 40 17.024 -4.103 16.022 296 HB3 GLU 40 HB1 GLU 40 15.840 -5.403 15.961 297 HG2 GLU 40 HG2 GLU 40 18.495 -5.474 17.415 298 HG3 GLU 40 HG1 GLU 40 16.912 -5.272 18.149 299 H ARG 41 HN ARG 41 16.608 -6.907 12.671 300 HA ARG 41 HA ARG 41 16.197 -4.553 11.007 301 HB2 ARG 41 HB2 ARG 41 15.466 -7.478 10.534 302 HB3 ARG 41 HB1 ARG 41 15.171 -6.188 9.379 303 HG2 ARG 41 HG2 ARG 41 17.108 -7.243 8.586 304 HG3 ARG 41 HG1 ARG 41 17.713 -5.797 9.393 305 HD2 ARG 41 HD2 ARG 41 18.369 -7.116 11.338 306 HD3 ARG 41 HD1 ARG 41 17.639 -8.568 10.643 307 HE ARG 41 HE ARG 41 19.479 -7.674 8.786 308 HH11 ARG 41 HH11 ARG 41 19.687 -8.758 12.132 309 HH12 ARG 41 HH12 ARG 41 21.271 -9.430 11.924 310 HH21 ARG 41 HH21 ARG 41 21.531 -8.565 8.542 311 HH22 ARG 41 HH22 ARG 41 22.314 -9.333 9.889 312 H PHE 42 HN PHE 42 14.358 -3.416 10.962 313 HA PHE 42 HA PHE 42 11.869 -4.515 12.150 314 HB2 PHE 42 HB2 PHE 42 13.116 -1.744 12.288 315 HB3 PHE 42 HB1 PHE 42 11.385 -1.954 12.507 316 HD1 PHE 42 HD1 PHE 42 14.687 -2.620 13.997 317 HD2 PHE 42 HD2 PHE 42 10.470 -3.092 14.460 318 HE1 PHE 42 HE1 PHE 42 15.005 -3.246 16.347 319 HE2 PHE 42 HE2 PHE 42 10.802 -3.706 16.813 320 HZ PHE 42 HZ PHE 42 13.068 -3.790 17.757 321 HA PRO 43 HA PRO 43 9.874 -4.106 8.253 322 HB2 PRO 43 HB2 PRO 43 7.317 -3.339 8.887 323 HB3 PRO 43 HB1 PRO 43 7.956 -4.943 9.265 324 HG2 PRO 43 HG2 PRO 43 7.772 -2.516 11.054 325 HG3 PRO 43 HG1 PRO 43 7.264 -4.188 11.391 326 HD2 PRO 43 HD2 PRO 43 9.620 -3.252 12.288 327 HD3 PRO 43 HD1 PRO 43 9.469 -4.928 11.710 328 H SER 44 HN SER 44 10.254 -1.270 10.174 329 HA SER 44 HA SER 44 10.118 0.463 7.847 330 HB2 SER 44 HB2 SER 44 8.539 2.058 9.034 331 HB3 SER 44 HB1 SER 44 7.794 0.550 8.523 332 HG SER 44 HG SER 44 7.154 0.541 10.546 333 H LEU 45 HN LEU 45 10.713 2.702 8.423 334 HA LEU 45 HA LEU 45 12.964 2.844 10.295 335 HB2 LEU 45 HB2 LEU 45 11.863 4.855 8.263 336 HB3 LEU 45 HB1 LEU 45 13.295 5.105 9.238 337 HG LEU 45 HG LEU 45 14.325 3.081 8.060 338 HD11 LEU 45 HD11 LEU 45 12.009 3.433 6.142 339 HD12 LEU 45 HD12 LEU 45 12.313 2.032 7.172 340 HD13 LEU 45 HD13 LEU 45 13.436 2.427 5.874 341 HD21 LEU 45 HD21 LEU 45 14.957 4.370 6.057 342 HD22 LEU 45 HD22 LEU 45 15.014 5.346 7.521 343 HD23 LEU 45 HD23 LEU 45 13.664 5.527 6.394 344 H LEU 46 HN LEU 46 10.708 2.502 11.714 345 HA LEU 46 HA LEU 46 9.868 5.082 12.855 346 HB2 LEU 46 HB2 LEU 46 7.909 2.894 11.994 347 HB3 LEU 46 HB1 LEU 46 7.489 4.418 12.758 348 HG LEU 46 HG LEU 46 8.676 4.178 9.965 349 HD11 LEU 46 HD11 LEU 46 5.777 4.552 10.765 350 HD12 LEU 46 HD12 LEU 46 6.486 3.106 10.040 351 HD13 LEU 46 HD13 LEU 46 6.417 4.604 9.118 352 HD21 LEU 46 HD21 LEU 46 7.394 6.562 11.355 353 HD22 LEU 46 HD22 LEU 46 7.966 6.516 9.686 354 HD23 LEU 46 HD23 LEU 46 9.116 6.362 11.010 355 H THR 47 HN THR 47 9.236 1.620 12.802 356 HA THR 47 HA THR 47 9.159 1.113 15.568 357 HB THR 47 HB THR 47 9.600 -1.317 14.720 358 HG1 THR 47 HG1 THR 47 8.893 -0.618 12.160 359 HG21 THR 47 HG21 THR 47 7.329 -1.510 13.779 360 HG22 THR 47 HG22 THR 47 7.257 0.240 13.570 361 HG23 THR 47 HG23 THR 47 7.334 -0.450 15.192 362 H LEU 48 HN LEU 48 11.847 1.036 13.191 363 HA LEU 48 HA LEU 48 13.866 0.192 14.996 364 HB2 LEU 48 HB2 LEU 48 14.044 0.337 12.424 365 HB3 LEU 48 HB1 LEU 48 14.302 2.051 12.620 366 HG LEU 48 HG LEU 48 16.392 0.637 12.221 367 HD11 LEU 48 HD11 LEU 48 16.491 2.313 14.735 368 HD12 LEU 48 HD12 LEU 48 16.621 2.906 13.078 369 HD13 LEU 48 HD13 LEU 48 17.865 1.841 13.728 370 HD21 LEU 48 HD21 LEU 48 17.391 -0.597 14.077 371 HD22 LEU 48 HD22 LEU 48 15.829 -1.272 13.620 372 HD23 LEU 48 HD23 LEU 48 15.962 -0.277 15.071 373 H THR 49 HN THR 49 12.421 3.358 14.332 374 HA THR 49 HA THR 49 14.282 4.942 15.780 375 HB THR 49 HB THR 49 11.369 5.571 15.145 376 HG1 THR 49 HG1 THR 49 12.030 6.158 13.185 377 HG21 THR 49 HG21 THR 49 13.708 7.425 15.739 378 HG22 THR 49 HG22 THR 49 12.322 7.130 16.793 379 HG23 THR 49 HG23 THR 49 12.096 7.936 15.240 380 H GLU 50 HN GLU 50 11.200 3.412 16.647 381 HA GLU 50 HA GLU 50 11.022 4.183 19.363 382 HB2 GLU 50 HB2 GLU 50 10.089 1.572 18.093 383 HB3 GLU 50 HB1 GLU 50 9.608 2.151 19.686 384 HG2 GLU 50 HG2 GLU 50 8.535 4.117 18.611 385 HG3 GLU 50 HG1 GLU 50 8.962 3.464 17.031 386 H HIS 51 HN HIS 51 12.748 1.577 17.765 387 HA HIS 51 HA HIS 51 13.585 0.149 20.069 388 HB2 HIS 51 HB2 HIS 51 13.445 -1.007 17.974 389 HB3 HIS 51 HB1 HIS 51 14.488 0.163 17.170 390 HD1 HIS 51 HD1 HIS 51 14.783 -2.405 19.984 391 HD2 HIS 51 HD2 HIS 51 17.033 -0.686 16.942 392 HE1 HIS 51 HE1 HIS 51 17.034 -3.530 20.037 393 H LYS 52 HN LYS 52 15.294 2.503 18.002 394 HA LYS 52 HA LYS 52 17.863 1.983 18.924 395 HB2 LYS 52 HB2 LYS 52 18.551 4.070 17.759 396 HB3 LYS 52 HB1 LYS 52 17.572 2.994 16.785 397 HG2 LYS 52 HG2 LYS 52 16.736 5.080 16.217 398 HG3 LYS 52 HG1 LYS 52 15.587 4.531 17.426 399 HD2 LYS 52 HD2 LYS 52 16.022 6.859 17.820 400 HD3 LYS 52 HD1 LYS 52 16.783 5.958 19.126 401 HE2 LYS 52 HE2 LYS 52 18.285 6.987 16.695 402 HE3 LYS 52 HE1 LYS 52 18.149 7.873 18.210 403 HZ1 LYS 52 HZ1 LYS 52 19.232 5.963 19.318 404 HZ2 LYS 52 HZ2 LYS 52 20.211 6.717 18.165 405 HZ3 LYS 52 HZ3 LYS 52 19.471 5.250 17.800 406 H VAL 53 HN VAL 53 15.499 4.132 20.279 407 HA VAL 53 HA VAL 53 17.129 5.763 21.895 408 HB VAL 53 HB VAL 53 15.120 6.354 23.119 409 HG11 VAL 53 HG11 VAL 53 15.370 7.342 20.891 410 HG12 VAL 53 HG12 VAL 53 13.663 7.086 21.258 411 HG13 VAL 53 HG13 VAL 53 14.505 5.981 20.169 412 HG21 VAL 53 HG21 VAL 53 12.954 5.198 22.784 413 HG22 VAL 53 HG22 VAL 53 14.161 4.124 23.490 414 HG23 VAL 53 HG23 VAL 53 13.759 3.990 21.778 415 H THR 54 HN THR 54 16.204 2.458 22.313 416 HA THR 54 HA THR 54 16.666 2.311 25.171 417 HB THR 54 HB THR 54 16.449 -0.136 24.949 418 HG1 THR 54 HG1 THR 54 15.791 -0.181 22.292 419 HG21 THR 54 HG21 THR 54 14.348 1.332 23.313 420 HG22 THR 54 HG22 THR 54 14.359 1.162 25.070 421 HG23 THR 54 HG23 THR 54 14.151 -0.261 24.048 422 H HIS 55 HN HIS 55 18.826 2.772 22.717 423 HA HIS 55 HA HIS 55 20.987 1.077 23.794 424 HB2 HIS 55 HB2 HIS 55 20.660 2.644 21.205 425 HB3 HIS 55 HB1 HIS 55 22.252 2.175 21.770 426 HD1 HIS 55 HD1 HIS 55 22.806 -0.390 21.785 427 HD2 HIS 55 HD2 HIS 55 19.159 0.591 20.043 428 HE1 HIS 55 HE1 HIS 55 22.108 -2.391 20.425 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -9.195 15.722 6.547 2 H2 MET 1 HT2 MET 1 -10.804 15.227 6.685 3 H3 MET 1 HT3 MET 1 -9.956 15.765 8.044 4 HA MET 1 HA MET 1 -10.594 17.416 5.694 5 HB2 MET 1 HB2 MET 1 -12.244 18.571 7.131 6 HB3 MET 1 HB1 MET 1 -12.644 16.871 6.964 7 HG2 MET 1 HG2 MET 1 -11.767 16.407 9.192 8 HG3 MET 1 HG1 MET 1 -11.255 18.083 9.367 9 HE1 MET 1 HE1 MET 1 -15.677 16.710 9.256 10 HE2 MET 1 HE2 MET 1 -14.313 15.597 9.231 11 HE3 MET 1 HE3 MET 1 -14.633 16.631 7.835 12 H GLY 2 HN GLY 2 -9.972 19.601 5.902 13 HA2 GLY 2 HA2 GLY 2 -8.769 21.424 6.559 14 HA3 GLY 2 HA1 GLY 2 -8.634 20.717 8.161 15 H SER 3 HN SER 3 -6.878 19.227 8.558 16 HA SER 3 HA SER 3 -4.464 20.088 7.197 17 HB2 SER 3 HB2 SER 3 -3.371 19.035 9.262 18 HB3 SER 3 HB1 SER 3 -4.438 20.402 9.589 19 HG SER 3 HG SER 3 -5.806 19.116 10.583 20 H HIS 4 HN HIS 4 -4.498 18.871 5.427 21 HA HIS 4 HA HIS 4 -4.412 16.020 5.289 22 HB2 HIS 4 HB2 HIS 4 -3.410 18.166 3.390 23 HB3 HIS 4 HB1 HIS 4 -3.116 16.465 3.055 24 HD1 HIS 4 HD1 HIS 4 -5.927 18.957 3.362 25 HD2 HIS 4 HD2 HIS 4 -5.269 15.078 2.027 26 HE1 HIS 4 HE1 HIS 4 -8.048 18.275 2.215 27 HE2 HIS 4 HE2 HIS 4 -7.611 15.949 1.372 28 H LYS 5 HN LYS 5 -3.168 15.773 7.272 29 HA LYS 5 HA LYS 5 -0.235 15.975 6.968 30 HB2 LYS 5 HB2 LYS 5 -1.185 17.126 8.938 31 HB3 LYS 5 HB1 LYS 5 -1.963 15.637 9.462 32 HG2 LYS 5 HG2 LYS 5 0.296 14.600 9.767 33 HG3 LYS 5 HG1 LYS 5 1.035 16.142 9.321 34 HD2 LYS 5 HD2 LYS 5 0.002 17.237 11.252 35 HD3 LYS 5 HD1 LYS 5 -0.852 15.750 11.675 36 HE2 LYS 5 HE2 LYS 5 1.337 14.642 12.085 37 HE3 LYS 5 HE1 LYS 5 2.157 16.157 11.698 38 HZ1 LYS 5 HZ1 LYS 5 1.899 15.841 14.078 39 HZ2 LYS 5 HZ2 LYS 5 0.222 15.776 13.915 40 HZ3 LYS 5 HZ3 LYS 5 1.048 17.204 13.552 41 H CYS 6 HN CYS 6 0.958 14.155 6.991 42 HA CYS 6 HA CYS 6 -0.336 11.524 6.953 43 HB2 CYS 6 HB2 CYS 6 1.121 12.111 5.074 44 HB3 CYS 6 HB1 CYS 6 2.420 12.540 6.157 45 H ASN 7 HN ASN 7 -0.737 11.376 9.170 46 HA ASN 7 HA ASN 7 0.841 12.278 11.258 47 HB2 ASN 7 HB2 ASN 7 -1.576 11.879 11.429 48 HB3 ASN 7 HB1 ASN 7 -1.322 10.141 11.300 49 HD21 ASN 7 HD21 ASN 7 -0.510 9.010 13.126 50 HD22 ASN 7 HD22 ASN 7 -0.472 9.727 14.698 51 H VAL 8 HN VAL 8 0.943 9.068 9.749 52 HA VAL 8 HA VAL 8 1.947 7.554 11.910 53 HB VAL 8 HB VAL 8 2.486 7.000 8.964 54 HG11 VAL 8 HG11 VAL 8 2.407 5.068 11.306 55 HG12 VAL 8 HG12 VAL 8 3.847 5.593 10.431 56 HG13 VAL 8 HG13 VAL 8 2.626 4.626 9.604 57 HG21 VAL 8 HG21 VAL 8 0.079 6.151 10.600 58 HG22 VAL 8 HG22 VAL 8 0.418 5.689 8.926 59 HG23 VAL 8 HG23 VAL 8 0.101 7.376 9.332 60 H CYS 9 HN CYS 9 3.742 9.124 9.256 61 HA CYS 9 HA CYS 9 6.329 8.786 10.621 62 HB2 CYS 9 HB2 CYS 9 7.336 9.649 8.634 63 HB3 CYS 9 HB1 CYS 9 6.067 8.571 8.096 64 H SER 10 HN SER 10 4.009 11.172 9.863 65 HA SER 10 HA SER 10 3.267 12.896 11.235 66 HB2 SER 10 HB2 SER 10 6.135 13.309 12.178 67 HB3 SER 10 HB1 SER 10 4.721 14.190 12.762 68 HG SER 10 HG SER 10 5.643 11.712 13.451 69 H ARG 11 HN ARG 11 5.014 12.797 8.536 70 HA ARG 11 HA ARG 11 5.717 15.594 8.210 71 HB2 ARG 11 HB2 ARG 11 5.754 13.289 6.222 72 HB3 ARG 11 HB1 ARG 11 6.339 14.911 5.867 73 HG2 ARG 11 HG2 ARG 11 7.479 13.002 7.935 74 HG3 ARG 11 HG1 ARG 11 8.200 13.415 6.379 75 HD2 ARG 11 HD2 ARG 11 8.412 15.789 7.153 76 HD3 ARG 11 HD1 ARG 11 7.780 15.300 8.731 77 HE ARG 11 HE ARG 11 10.104 13.817 7.821 78 HH11 ARG 11 HH11 ARG 11 9.031 16.590 9.712 79 HH12 ARG 11 HH12 ARG 11 10.528 16.728 10.577 80 HH21 ARG 11 HH21 ARG 11 12.064 14.027 8.969 81 HH22 ARG 11 HH22 ARG 11 12.241 15.287 10.149 82 H THR 12 HN THR 12 4.767 17.032 6.776 83 HA THR 12 HA THR 12 1.857 16.640 6.425 84 HB THR 12 HB THR 12 2.581 18.569 7.801 85 HG1 THR 12 HG1 THR 12 1.320 20.147 6.679 86 HG21 THR 12 HG21 THR 12 3.857 19.660 5.262 87 HG22 THR 12 HG22 THR 12 4.722 19.114 6.704 88 HG23 THR 12 HG23 THR 12 3.670 20.525 6.792 89 H PHE 13 HN PHE 13 0.887 17.705 4.524 90 HA PHE 13 HA PHE 13 2.097 17.018 2.042 91 HB2 PHE 13 HB2 PHE 13 0.093 17.841 0.984 92 HB3 PHE 13 HB1 PHE 13 -0.379 17.001 2.452 93 HD1 PHE 13 HD1 PHE 13 -0.137 19.051 4.565 94 HD2 PHE 13 HD2 PHE 13 -1.531 19.471 0.550 95 HE1 PHE 13 HE1 PHE 13 -1.515 20.974 5.230 96 HE2 PHE 13 HE2 PHE 13 -2.896 21.397 1.223 97 HZ PHE 13 HZ PHE 13 -2.891 22.155 3.565 98 H PHE 14 HN PHE 14 2.150 18.507 0.192 99 HA PHE 14 HA PHE 14 3.281 21.187 0.783 100 HB2 PHE 14 HB2 PHE 14 3.725 19.482 -1.729 101 HB3 PHE 14 HB1 PHE 14 4.572 20.962 -1.281 102 HD1 PHE 14 HD1 PHE 14 4.266 17.333 -0.627 103 HD2 PHE 14 HD2 PHE 14 6.390 20.912 0.370 104 HE1 PHE 14 HE1 PHE 14 6.010 15.996 0.485 105 HE2 PHE 14 HE2 PHE 14 8.132 19.568 1.466 106 HZ PHE 14 HZ PHE 14 7.946 17.115 1.532 107 H SER 15 HN SER 15 1.776 19.381 -1.898 108 HA SER 15 HA SER 15 -0.529 21.236 -1.939 109 HB2 SER 15 HB2 SER 15 -0.912 20.455 -4.254 110 HB3 SER 15 HB1 SER 15 0.727 21.086 -4.109 111 HG SER 15 HG SER 15 0.826 19.147 -5.205 112 H GLU 16 HN GLU 16 -2.591 19.885 -2.656 113 HA GLU 16 HA GLU 16 -3.030 17.984 -0.566 114 HB2 GLU 16 HB2 GLU 16 -4.776 18.779 -2.925 115 HB3 GLU 16 HB1 GLU 16 -5.304 17.743 -1.600 116 HG2 GLU 16 HG2 GLU 16 -4.861 19.610 -0.000 117 HG3 GLU 16 HG1 GLU 16 -4.430 20.640 -1.362 118 H ASN 17 HN ASN 17 -2.402 17.716 -4.049 119 HA ASN 17 HA ASN 17 -2.654 14.838 -4.171 120 HB2 ASN 17 HB2 ASN 17 -1.280 16.772 -6.094 121 HB3 ASN 17 HB1 ASN 17 -1.603 15.068 -6.418 122 HD21 ASN 17 HD21 ASN 17 -2.498 17.403 -7.895 123 HD22 ASN 17 HD22 ASN 17 -4.224 17.359 -7.901 124 H GLY 18 HN GLY 18 -0.166 17.185 -3.461 125 HA2 GLY 18 HA2 GLY 18 2.189 15.666 -3.541 126 HA3 GLY 18 HA1 GLY 18 1.894 17.040 -2.483 127 H LEU 19 HN LEU 19 -0.265 15.993 -0.967 128 HA LEU 19 HA LEU 19 0.895 14.352 0.993 129 HB2 LEU 19 HB2 LEU 19 -1.199 15.826 1.170 130 HB3 LEU 19 HB1 LEU 19 -2.094 14.547 0.404 131 HG LEU 19 HG LEU 19 -2.273 14.741 2.966 132 HD11 LEU 19 HD11 LEU 19 -2.393 12.348 3.377 133 HD12 LEU 19 HD12 LEU 19 -1.462 12.019 1.913 134 HD13 LEU 19 HD13 LEU 19 -3.067 12.746 1.797 135 HD21 LEU 19 HD21 LEU 19 -0.521 13.741 4.350 136 HD22 LEU 19 HD22 LEU 19 0.101 15.135 3.472 137 HD23 LEU 19 HD23 LEU 19 0.503 13.503 2.930 138 H ARG 20 HN ARG 20 -1.201 13.599 -1.736 139 HA ARG 20 HA ARG 20 -1.742 10.888 -1.136 140 HB2 ARG 20 HB2 ARG 20 -1.793 12.168 -3.899 141 HB3 ARG 20 HB1 ARG 20 -2.717 10.766 -3.362 142 HG2 ARG 20 HG2 ARG 20 -3.089 13.645 -2.482 143 HG3 ARG 20 HG1 ARG 20 -4.157 12.712 -3.521 144 HD2 ARG 20 HD2 ARG 20 -4.705 11.223 -1.645 145 HD3 ARG 20 HD1 ARG 20 -3.597 12.122 -0.597 146 HE ARG 20 HE ARG 20 -5.334 14.005 -1.621 147 HH11 ARG 20 HH11 ARG 20 -5.705 11.120 0.368 148 HH12 ARG 20 HH12 ARG 20 -7.137 11.709 1.144 149 HH21 ARG 20 HH21 ARG 20 -7.215 14.738 -0.586 150 HH22 ARG 20 HH22 ARG 20 -8.000 13.731 0.595 151 H GLU 21 HN GLU 21 0.744 12.410 -3.181 152 HA GLU 21 HA GLU 21 1.938 10.043 -4.191 153 HB2 GLU 21 HB2 GLU 21 2.271 12.273 -5.242 154 HB3 GLU 21 HB1 GLU 21 3.119 12.831 -3.801 155 HG2 GLU 21 HG2 GLU 21 4.849 11.027 -4.229 156 HG3 GLU 21 HG1 GLU 21 4.042 10.704 -5.762 157 H HIS 22 HN HIS 22 2.707 12.232 -1.520 158 HA HIS 22 HA HIS 22 4.971 10.937 -0.472 159 HB2 HIS 22 HB2 HIS 22 4.527 13.232 0.164 160 HB3 HIS 22 HB1 HIS 22 2.933 12.828 0.787 161 HD1 HIS 22 HD1 HIS 22 6.586 12.517 1.692 162 HD2 HIS 22 HD2 HIS 22 2.851 11.942 3.355 163 HE1 HIS 22 HE1 HIS 22 6.982 11.842 4.085 164 H LEU 23 HN LEU 23 1.561 10.296 -0.080 165 HA LEU 23 HA LEU 23 1.603 8.695 2.243 166 HB2 LEU 23 HB2 LEU 23 -0.397 9.792 0.937 167 HB3 LEU 23 HB1 LEU 23 -0.382 8.318 -0.011 168 HG LEU 23 HG LEU 23 -0.635 7.047 2.222 169 HD11 LEU 23 HD11 LEU 23 -1.604 8.296 4.113 170 HD12 LEU 23 HD12 LEU 23 -1.363 9.812 3.240 171 HD13 LEU 23 HD13 LEU 23 0.027 8.849 3.735 172 HD21 LEU 23 HD21 LEU 23 -2.923 8.840 1.319 173 HD22 LEU 23 HD22 LEU 23 -3.079 7.372 2.288 174 HD23 LEU 23 HD23 LEU 23 -2.495 7.270 0.631 175 H GLN 24 HN GLN 24 2.335 8.015 -1.134 176 HA GLN 24 HA GLN 24 1.902 5.177 -1.071 177 HB2 GLN 24 HB2 GLN 24 3.334 6.931 -3.111 178 HB3 GLN 24 HB1 GLN 24 2.859 5.257 -3.363 179 HG2 GLN 24 HG2 GLN 24 0.496 5.870 -3.215 180 HG3 GLN 24 HG1 GLN 24 0.935 7.539 -2.865 181 HE21 GLN 24 HE21 GLN 24 -0.672 6.435 -5.046 182 HE22 GLN 24 HE22 GLN 24 0.077 6.977 -6.506 183 H THR 25 HN THR 25 4.518 7.276 -0.229 184 HA THR 25 HA THR 25 6.713 5.507 -0.571 185 HB THR 25 HB THR 25 7.980 7.038 0.808 186 HG1 THR 25 HG1 THR 25 5.457 7.791 1.806 187 HG21 THR 25 HG21 THR 25 7.405 7.930 -1.424 188 HG22 THR 25 HG22 THR 25 7.518 9.229 -0.234 189 HG23 THR 25 HG23 THR 25 5.936 8.648 -0.760 190 H HIS 26 HN HIS 26 4.105 5.397 1.607 191 HA HIS 26 HA HIS 26 5.518 3.599 3.510 192 HB2 HIS 26 HB2 HIS 26 2.915 5.072 4.121 193 HB3 HIS 26 HB1 HIS 26 4.011 4.275 5.241 194 HD1 HIS 26 HD1 HIS 26 6.355 5.562 5.650 195 HD2 HIS 26 HD2 HIS 26 3.363 7.725 3.757 196 HE1 HIS 26 HE1 HIS 26 6.935 7.997 5.954 197 H ARG 27 HN ARG 27 3.042 3.937 1.143 198 HA ARG 27 HA ARG 27 1.418 1.678 2.013 199 HB2 ARG 27 HB2 ARG 27 1.258 3.416 -0.482 200 HB3 ARG 27 HB1 ARG 27 0.147 2.097 -0.128 201 HG2 ARG 27 HG2 ARG 27 0.478 4.666 1.455 202 HG3 ARG 27 HG1 ARG 27 -0.903 4.201 0.460 203 HD2 ARG 27 HD2 ARG 27 -0.022 2.928 3.081 204 HD3 ARG 27 HD1 ARG 27 -1.477 3.885 2.795 205 HE ARG 27 HE ARG 27 -1.069 1.313 1.391 206 HH11 ARG 27 HH11 ARG 27 -3.056 3.259 3.539 207 HH12 ARG 27 HH12 ARG 27 -4.322 2.086 3.608 208 HH21 ARG 27 HH21 ARG 27 -2.733 -0.198 1.495 209 HH22 ARG 27 HH22 ARG 27 -4.142 0.124 2.457 210 H GLY 28 HN GLY 28 3.743 2.473 -0.517 211 HA2 GLY 28 HA2 GLY 28 3.972 -0.230 -1.563 212 HA3 GLY 28 HA1 GLY 28 4.980 1.158 -1.953 213 HA PRO 29 HA PRO 29 7.647 -1.429 0.820 214 HB2 PRO 29 HB2 PRO 29 10.003 -1.006 -0.528 215 HB3 PRO 29 HB1 PRO 29 8.842 -2.257 -0.995 216 HG2 PRO 29 HG2 PRO 29 9.280 0.471 -2.185 217 HG3 PRO 29 HG1 PRO 29 8.971 -1.075 -3.003 218 HD2 PRO 29 HD2 PRO 29 7.024 0.826 -2.576 219 HD3 PRO 29 HD1 PRO 29 6.671 -0.911 -2.707 220 H ALA 30 HN ALA 30 8.079 -0.415 2.663 221 HA ALA 30 HA ALA 30 9.463 2.215 2.718 222 HB1 ALA 30 HB1 ALA 30 8.461 2.530 4.965 223 HB2 ALA 30 HB2 ALA 30 7.630 0.979 4.822 224 HB3 ALA 30 HB3 ALA 30 7.206 2.308 3.742 225 H LYS 31 HN LYS 31 11.433 2.279 3.776 226 HA LYS 31 HA LYS 31 12.853 -0.123 4.035 227 HB2 LYS 31 HB2 LYS 31 13.889 1.966 3.279 228 HB3 LYS 31 HB1 LYS 31 13.627 2.698 4.859 229 HG2 LYS 31 HG2 LYS 31 15.163 1.067 5.885 230 HG3 LYS 31 HG1 LYS 31 15.417 0.304 4.310 231 HD2 LYS 31 HD2 LYS 31 16.437 2.384 3.457 232 HD3 LYS 31 HD1 LYS 31 16.136 3.187 5.002 233 HE2 LYS 31 HE2 LYS 31 18.475 2.453 4.778 234 HE3 LYS 31 HE1 LYS 31 17.672 1.647 6.124 235 HZ1 LYS 31 HZ1 LYS 31 18.132 0.480 3.428 236 HZ2 LYS 31 HZ2 LYS 31 17.382 -0.305 4.719 237 HZ3 LYS 31 HZ3 LYS 31 19.015 0.123 4.824 238 H HIS 32 HN HIS 32 11.813 -1.402 5.612 239 HA HIS 32 HA HIS 32 12.347 -0.750 8.439 240 HB2 HIS 32 HB2 HIS 32 11.190 -3.290 7.198 241 HB3 HIS 32 HB1 HIS 32 11.303 -2.952 8.923 242 HD1 HIS 32 HD1 HIS 32 9.352 -2.060 5.846 243 HD2 HIS 32 HD2 HIS 32 9.316 -1.217 9.919 244 HE1 HIS 32 HE1 HIS 32 7.177 -0.887 6.271 245 HE2 HIS 32 HE2 HIS 32 7.246 -0.256 8.707 246 H TYR 33 HN TYR 33 13.945 -2.102 9.627 247 HA TYR 33 HA TYR 33 16.289 -2.065 7.969 248 HB2 TYR 33 HB2 TYR 33 15.857 -2.379 10.959 249 HB3 TYR 33 HB1 TYR 33 17.462 -2.458 10.230 250 HD1 TYR 33 HD2 TYR 33 18.415 -0.472 9.089 251 HD2 TYR 33 HD1 TYR 33 14.682 -0.221 11.136 252 HE1 TYR 33 HE2 TYR 33 18.543 1.977 9.022 253 HE2 TYR 33 HE1 TYR 33 14.806 2.229 11.053 254 HH TYR 33 HH TYR 33 16.616 3.977 10.865 255 H MET 34 HN MET 34 16.765 -3.683 6.763 256 HA MET 34 HA MET 34 16.596 -6.485 7.660 257 HB2 MET 34 HB2 MET 34 15.510 -5.993 5.480 258 HB3 MET 34 HB1 MET 34 16.993 -5.267 4.877 259 HG2 MET 34 HG2 MET 34 18.098 -7.529 5.134 260 HG3 MET 34 HG1 MET 34 16.506 -8.193 5.495 261 HE1 MET 34 HE1 MET 34 14.538 -8.376 3.660 262 HE2 MET 34 HE2 MET 34 14.653 -7.647 2.058 263 HE3 MET 34 HE3 MET 34 14.604 -6.622 3.490 264 H CYS 35 HN CYS 35 18.490 -7.675 7.800 265 HA CYS 35 HA CYS 35 20.874 -6.430 8.527 266 HB2 CYS 35 HB2 CYS 35 20.352 -8.628 9.342 267 HB3 CYS 35 HB1 CYS 35 20.261 -9.271 7.744 268 HA PRO 36 HA PRO 36 22.862 -5.715 4.469 269 HB2 PRO 36 HB2 PRO 36 25.345 -5.476 6.166 270 HB3 PRO 36 HB1 PRO 36 24.680 -4.345 4.975 271 HG2 PRO 36 HG2 PRO 36 24.478 -3.832 7.594 272 HG3 PRO 36 HG1 PRO 36 23.144 -3.454 6.486 273 HD2 PRO 36 HD2 PRO 36 23.429 -5.798 8.369 274 HD3 PRO 36 HD1 PRO 36 22.010 -4.769 8.053 275 H ILE 37 HN ILE 37 24.199 -7.865 7.001 276 HA ILE 37 HA ILE 37 26.095 -9.096 5.225 277 HB ILE 37 HB ILE 37 25.394 -9.878 8.088 278 HG12 ILE 37 HG12 ILE 37 27.490 -7.844 7.142 279 HG13 ILE 37 HG11 ILE 37 25.970 -7.435 7.924 280 HG21 ILE 37 HG21 ILE 37 27.699 -10.777 8.151 281 HG22 ILE 37 HG22 ILE 37 27.921 -10.333 6.458 282 HG23 ILE 37 HG23 ILE 37 26.731 -11.556 6.902 283 HD11 ILE 37 HD11 ILE 37 28.246 -8.962 9.178 284 HD12 ILE 37 HD12 ILE 37 26.721 -8.553 9.970 285 HD13 ILE 37 HD13 ILE 37 27.825 -7.275 9.462 286 H CYS 38 HN CYS 38 23.338 -10.505 7.137 287 HA CYS 38 HA CYS 38 23.010 -12.487 5.008 288 HB2 CYS 38 HB2 CYS 38 22.418 -14.149 6.749 289 HB3 CYS 38 HB1 CYS 38 24.074 -13.628 6.777 290 H GLY 39 HN GLY 39 21.383 -9.943 6.209 291 HA2 GLY 39 HA2 GLY 39 19.434 -9.099 5.576 292 HA3 GLY 39 HA1 GLY 39 19.325 -10.403 4.399 293 H GLU 40 HN GLU 40 19.215 -10.930 7.892 294 HA GLU 40 HA GLU 40 16.526 -11.719 8.083 295 HB2 GLU 40 HB2 GLU 40 18.371 -10.587 10.248 296 HB3 GLU 40 HB1 GLU 40 16.828 -11.361 10.560 297 HG2 GLU 40 HG2 GLU 40 18.618 -12.880 11.064 298 HG3 GLU 40 HG1 GLU 40 17.720 -13.492 9.684 299 H ARG 41 HN ARG 41 14.762 -10.456 7.862 300 HA ARG 41 HA ARG 41 14.755 -7.589 8.047 301 HB2 ARG 41 HB2 ARG 41 12.432 -9.576 8.015 302 HB3 ARG 41 HB1 ARG 41 12.264 -7.827 7.862 303 HG2 ARG 41 HG2 ARG 41 13.565 -7.895 5.753 304 HG3 ARG 41 HG1 ARG 41 13.694 -9.649 5.893 305 HD2 ARG 41 HD2 ARG 41 11.203 -9.800 5.792 306 HD3 ARG 41 HD1 ARG 41 11.135 -8.050 5.572 307 HE ARG 41 HE ARG 41 12.023 -8.277 3.414 308 HH11 ARG 41 HH11 ARG 41 11.646 -11.429 4.920 309 HH12 ARG 41 HH12 ARG 41 11.749 -12.288 3.418 310 HH21 ARG 41 HH21 ARG 41 12.121 -9.411 1.447 311 HH22 ARG 41 HH22 ARG 41 12.021 -11.142 1.445 312 H PHE 42 HN PHE 42 14.436 -6.375 9.819 313 HA PHE 42 HA PHE 42 13.243 -7.524 12.266 314 HB2 PHE 42 HB2 PHE 42 15.672 -5.693 12.035 315 HB3 PHE 42 HB1 PHE 42 14.791 -5.913 13.542 316 HD1 PHE 42 HD2 PHE 42 14.540 -8.317 14.468 317 HD2 PHE 42 HD1 PHE 42 17.376 -7.260 11.452 318 HE1 PHE 42 HE2 PHE 42 15.847 -10.346 14.981 319 HE2 PHE 42 HE1 PHE 42 18.667 -9.283 11.965 320 HZ PHE 42 HZ PHE 42 17.914 -10.826 13.730 321 HA PRO 43 HA PRO 43 10.299 -4.226 12.055 322 HB2 PRO 43 HB2 PRO 43 9.851 -3.616 14.718 323 HB3 PRO 43 HB1 PRO 43 9.246 -5.084 13.935 324 HG2 PRO 43 HG2 PRO 43 11.739 -4.728 15.603 325 HG3 PRO 43 HG1 PRO 43 10.495 -5.998 15.712 326 HD2 PRO 43 HD2 PRO 43 12.813 -6.457 14.441 327 HD3 PRO 43 HD1 PRO 43 11.288 -7.111 13.801 328 H SER 44 HN SER 44 13.357 -3.561 13.748 329 HA SER 44 HA SER 44 13.302 -0.759 13.086 330 HB2 SER 44 HB2 SER 44 13.049 -1.532 16.034 331 HB3 SER 44 HB1 SER 44 13.351 0.097 15.430 332 HG SER 44 HG SER 44 11.295 -0.308 14.211 333 H LEU 45 HN LEU 45 15.142 0.391 14.257 334 HA LEU 45 HA LEU 45 17.617 -1.058 13.876 335 HB2 LEU 45 HB2 LEU 45 18.615 1.275 14.338 336 HB3 LEU 45 HB1 LEU 45 17.653 1.064 12.894 337 HG LEU 45 HG LEU 45 15.710 2.109 14.185 338 HD11 LEU 45 HD11 LEU 45 17.858 3.032 16.107 339 HD12 LEU 45 HD12 LEU 45 16.529 1.934 16.480 340 HD13 LEU 45 HD13 LEU 45 16.188 3.608 16.057 341 HD21 LEU 45 HD21 LEU 45 16.425 4.411 13.743 342 HD22 LEU 45 HD22 LEU 45 16.907 3.327 12.444 343 HD23 LEU 45 HD23 LEU 45 18.103 3.875 13.619 344 H LEU 46 HN LEU 46 16.494 -2.285 15.985 345 HA LEU 46 HA LEU 46 18.069 -1.464 18.332 346 HB2 LEU 46 HB2 LEU 46 15.105 -2.223 18.468 347 HB3 LEU 46 HB1 LEU 46 16.172 -2.189 19.856 348 HG LEU 46 HG LEU 46 14.898 -0.219 20.036 349 HD11 LEU 46 HD11 LEU 46 17.259 0.201 20.457 350 HD12 LEU 46 HD12 LEU 46 16.471 1.634 19.807 351 HD13 LEU 46 HD13 LEU 46 17.504 0.653 18.766 352 HD21 LEU 46 HD21 LEU 46 14.512 1.423 18.253 353 HD22 LEU 46 HD22 LEU 46 13.891 -0.167 17.815 354 HD23 LEU 46 HD23 LEU 46 15.404 0.410 17.114 355 H THR 47 HN THR 47 15.743 -3.880 17.127 356 HA THR 47 HA THR 47 17.075 -6.170 18.128 357 HB THR 47 HB THR 47 15.567 -7.375 16.400 358 HG1 THR 47 HG1 THR 47 13.967 -5.163 16.115 359 HG21 THR 47 HG21 THR 47 13.497 -6.951 17.676 360 HG22 THR 47 HG22 THR 47 14.223 -5.514 18.397 361 HG23 THR 47 HG23 THR 47 14.886 -7.108 18.760 362 H LEU 48 HN LEU 48 17.237 -4.453 14.990 363 HA LEU 48 HA LEU 48 18.962 -6.275 13.666 364 HB2 LEU 48 HB2 LEU 48 17.601 -4.438 12.568 365 HB3 LEU 48 HB1 LEU 48 18.733 -3.265 13.199 366 HG LEU 48 HG LEU 48 18.967 -3.891 10.715 367 HD11 LEU 48 HD11 LEU 48 20.767 -2.688 11.858 368 HD12 LEU 48 HD12 LEU 48 21.398 -3.797 10.647 369 HD13 LEU 48 HD13 LEU 48 21.493 -4.217 12.359 370 HD21 LEU 48 HD21 LEU 48 18.652 -6.312 10.913 371 HD22 LEU 48 HD22 LEU 48 20.170 -6.454 11.805 372 HD23 LEU 48 HD23 LEU 48 20.176 -5.928 10.121 373 H THR 49 HN THR 49 19.563 -3.498 15.769 374 HA THR 49 HA THR 49 22.366 -3.319 15.523 375 HB THR 49 HB THR 49 20.686 -2.587 17.965 376 HG1 THR 49 HG1 THR 49 20.285 -0.669 16.954 377 HG21 THR 49 HG21 THR 49 22.392 -0.861 18.360 378 HG22 THR 49 HG22 THR 49 23.292 -1.401 16.940 379 HG23 THR 49 HG23 THR 49 23.135 -2.460 18.343 380 H GLU 50 HN GLU 50 20.316 -5.024 17.864 381 HA GLU 50 HA GLU 50 22.327 -6.218 19.449 382 HB2 GLU 50 HB2 GLU 50 19.491 -7.163 18.873 383 HB3 GLU 50 HB1 GLU 50 20.538 -7.898 20.087 384 HG2 GLU 50 HG2 GLU 50 20.661 -5.665 21.237 385 HG3 GLU 50 HG1 GLU 50 19.470 -5.058 20.088 386 H HIS 51 HN HIS 51 20.637 -7.406 16.552 387 HA HIS 51 HA HIS 51 21.871 -9.932 16.302 388 HB2 HIS 51 HB2 HIS 51 19.869 -9.420 15.047 389 HB3 HIS 51 HB1 HIS 51 20.635 -8.055 14.249 390 HD1 HIS 51 HD1 HIS 51 20.883 -11.867 14.302 391 HD2 HIS 51 HD2 HIS 51 21.690 -8.630 11.834 392 HE1 HIS 51 HE1 HIS 51 21.550 -12.826 12.067 393 H LYS 52 HN LYS 52 22.853 -6.732 15.233 394 HA LYS 52 HA LYS 52 25.008 -7.525 13.554 395 HB2 LYS 52 HB2 LYS 52 23.844 -5.398 13.233 396 HB3 LYS 52 HB1 LYS 52 24.368 -4.830 14.815 397 HG2 LYS 52 HG2 LYS 52 26.713 -4.816 14.046 398 HG3 LYS 52 HG1 LYS 52 26.211 -5.441 12.469 399 HD2 LYS 52 HD2 LYS 52 24.903 -3.398 12.058 400 HD3 LYS 52 HD1 LYS 52 25.335 -2.782 13.658 401 HE2 LYS 52 HE2 LYS 52 27.696 -2.711 13.010 402 HE3 LYS 52 HE1 LYS 52 27.301 -3.377 11.427 403 HZ1 LYS 52 HZ1 LYS 52 25.984 -1.407 10.967 404 HZ2 LYS 52 HZ2 LYS 52 27.581 -0.986 11.337 405 HZ3 LYS 52 HZ3 LYS 52 26.364 -0.766 12.484 406 H VAL 53 HN VAL 53 24.883 -6.528 16.996 407 HA VAL 53 HA VAL 53 27.752 -6.345 17.234 408 HB VAL 53 HB VAL 53 27.361 -5.936 19.628 409 HG11 VAL 53 HG11 VAL 53 27.238 -4.031 18.112 410 HG12 VAL 53 HG12 VAL 53 26.106 -3.815 19.449 411 HG13 VAL 53 HG13 VAL 53 25.512 -4.309 17.862 412 HG21 VAL 53 HG21 VAL 53 24.410 -6.416 19.076 413 HG22 VAL 53 HG22 VAL 53 25.085 -5.803 20.588 414 HG23 VAL 53 HG23 VAL 53 25.463 -7.440 20.055 415 H THR 54 HN THR 54 25.316 -8.777 17.872 416 HA THR 54 HA THR 54 27.311 -10.679 18.926 417 HB THR 54 HB THR 54 25.352 -12.159 19.364 418 HG1 THR 54 HG1 THR 54 23.447 -10.210 18.931 419 HG21 THR 54 HG21 THR 54 26.033 -10.582 21.138 420 HG22 THR 54 HG22 THR 54 24.284 -10.810 21.137 421 HG23 THR 54 HG23 THR 54 24.978 -9.342 20.450 422 H HIS 55 HN HIS 55 26.776 -9.707 15.947 423 HA HIS 55 HA HIS 55 26.044 -11.892 14.395 424 HB2 HIS 55 HB2 HIS 55 26.751 -9.306 13.805 425 HB3 HIS 55 HB1 HIS 55 28.199 -10.136 13.242 426 HD1 HIS 55 HD1 HIS 55 27.583 -12.212 11.482 427 HD2 HIS 55 HD2 HIS 55 24.774 -9.211 12.054 428 HE1 HIS 55 HE1 HIS 55 25.980 -12.358 9.534 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -11.452 24.621 7.514 2 H2 MET 1 HT2 MET 1 -11.567 23.129 6.743 3 H3 MET 1 HT3 MET 1 -10.066 23.867 6.906 4 HA MET 1 HA MET 1 -10.181 23.663 9.283 5 HB2 MET 1 HB2 MET 1 -12.636 23.751 9.496 6 HB3 MET 1 HB1 MET 1 -12.800 22.204 8.684 7 HG2 MET 1 HG2 MET 1 -11.730 21.069 10.567 8 HG3 MET 1 HG1 MET 1 -11.451 22.617 11.366 9 HE1 MET 1 HE1 MET 1 -13.440 24.170 12.308 10 HE2 MET 1 HE2 MET 1 -15.146 23.741 12.178 11 HE3 MET 1 HE3 MET 1 -14.228 24.154 10.730 12 H GLY 2 HN GLY 2 -9.017 21.971 10.132 13 HA2 GLY 2 HA2 GLY 2 -8.095 19.837 10.322 14 HA3 GLY 2 HA1 GLY 2 -8.972 19.326 8.887 15 H SER 3 HN SER 3 -6.658 18.332 8.769 16 HA SER 3 HA SER 3 -5.079 19.841 6.862 17 HB2 SER 3 HB2 SER 3 -3.900 18.939 9.522 18 HB3 SER 3 HB1 SER 3 -2.947 19.508 8.153 19 HG SER 3 HG SER 3 -4.273 21.485 8.347 20 H HIS 4 HN HIS 4 -5.440 18.224 5.366 21 HA HIS 4 HA HIS 4 -4.671 15.519 5.620 22 HB2 HIS 4 HB2 HIS 4 -4.679 17.406 3.234 23 HB3 HIS 4 HB1 HIS 4 -4.085 15.755 3.075 24 HD1 HIS 4 HD1 HIS 4 -5.826 14.348 2.081 25 HD2 HIS 4 HD2 HIS 4 -7.476 17.163 4.631 26 HE1 HIS 4 HE1 HIS 4 -8.279 13.855 2.115 27 HE2 HIS 4 HE2 HIS 4 -9.241 15.507 3.750 28 H LYS 5 HN LYS 5 -2.935 15.441 6.976 29 HA LYS 5 HA LYS 5 -0.271 16.002 5.845 30 HB2 LYS 5 HB2 LYS 5 -0.838 17.726 7.572 31 HB3 LYS 5 HB1 LYS 5 -1.139 16.439 8.736 32 HG2 LYS 5 HG2 LYS 5 1.222 15.798 8.709 33 HG3 LYS 5 HG1 LYS 5 1.558 16.971 7.427 34 HD2 LYS 5 HD2 LYS 5 2.274 17.817 9.652 35 HD3 LYS 5 HD1 LYS 5 1.018 18.831 8.946 36 HE2 LYS 5 HE2 LYS 5 -0.678 17.697 10.385 37 HE3 LYS 5 HE1 LYS 5 0.612 16.740 11.114 38 HZ1 LYS 5 HZ1 LYS 5 1.618 18.771 11.922 39 HZ2 LYS 5 HZ2 LYS 5 0.024 18.647 12.475 40 HZ3 LYS 5 HZ3 LYS 5 0.398 19.695 11.200 41 H CYS 6 HN CYS 6 1.358 14.467 6.669 42 HA CYS 6 HA CYS 6 0.158 11.943 6.056 43 HB2 CYS 6 HB2 CYS 6 2.234 12.760 4.963 44 HB3 CYS 6 HB1 CYS 6 3.099 12.515 6.488 45 H ASN 7 HN ASN 7 0.306 12.973 9.152 46 HA ASN 7 HA ASN 7 -0.487 11.919 10.930 47 HB2 ASN 7 HB2 ASN 7 -2.072 10.109 10.699 48 HB3 ASN 7 HB1 ASN 7 -2.278 11.224 9.369 49 HD21 ASN 7 HD21 ASN 7 -3.040 8.368 9.775 50 HD22 ASN 7 HD22 ASN 7 -2.456 7.545 8.375 51 H VAL 8 HN VAL 8 0.808 9.022 9.244 52 HA VAL 8 HA VAL 8 1.976 7.789 11.502 53 HB VAL 8 HB VAL 8 2.870 7.454 8.586 54 HG11 VAL 8 HG11 VAL 8 3.495 5.171 9.252 55 HG12 VAL 8 HG12 VAL 8 2.959 5.477 10.906 56 HG13 VAL 8 HG13 VAL 8 4.346 6.353 10.249 57 HG21 VAL 8 HG21 VAL 8 1.187 5.649 8.380 58 HG22 VAL 8 HG22 VAL 8 0.430 7.216 8.662 59 HG23 VAL 8 HG23 VAL 8 0.559 6.048 9.979 60 H CYS 9 HN CYS 9 3.432 9.636 8.814 61 HA CYS 9 HA CYS 9 5.939 10.181 10.033 62 HB2 CYS 9 HB2 CYS 9 4.401 11.620 7.850 63 HB3 CYS 9 HB1 CYS 9 6.021 12.080 8.339 64 H SER 10 HN SER 10 2.853 11.894 9.887 65 HA SER 10 HA SER 10 2.188 14.016 10.362 66 HB2 SER 10 HB2 SER 10 2.313 14.607 12.782 67 HB3 SER 10 HB1 SER 10 1.805 12.941 12.523 68 HG SER 10 HG SER 10 4.534 13.492 12.948 69 H ARG 11 HN ARG 11 3.471 15.269 8.891 70 HA ARG 11 HA ARG 11 5.992 16.363 9.881 71 HB2 ARG 11 HB2 ARG 11 5.717 14.796 7.298 72 HB3 ARG 11 HB1 ARG 11 6.953 16.035 7.480 73 HG2 ARG 11 HG2 ARG 11 6.669 13.549 9.195 74 HG3 ARG 11 HG1 ARG 11 7.858 13.807 7.917 75 HD2 ARG 11 HD2 ARG 11 7.644 15.413 10.484 76 HD3 ARG 11 HD1 ARG 11 8.832 14.147 10.160 77 HE ARG 11 HE ARG 11 8.890 16.243 8.196 78 HH11 ARG 11 HH11 ARG 11 10.074 15.409 11.410 79 HH12 ARG 11 HH12 ARG 11 11.421 16.496 11.309 80 HH21 ARG 11 HH21 ARG 11 10.650 17.643 8.099 81 HH22 ARG 11 HH22 ARG 11 11.758 17.755 9.430 82 H THR 12 HN THR 12 3.890 16.392 6.926 83 HA THR 12 HA THR 12 3.393 19.070 6.771 84 HB THR 12 HB THR 12 5.898 19.362 6.872 85 HG1 THR 12 HG1 THR 12 5.969 20.632 4.817 86 HG21 THR 12 HG21 THR 12 6.613 17.312 5.674 87 HG22 THR 12 HG22 THR 12 7.317 18.754 4.944 88 HG23 THR 12 HG23 THR 12 5.948 17.957 4.171 89 H PHE 13 HN PHE 13 3.694 19.598 4.091 90 HA PHE 13 HA PHE 13 3.110 17.507 2.293 91 HB2 PHE 13 HB2 PHE 13 0.745 18.427 1.642 92 HB3 PHE 13 HB1 PHE 13 0.828 17.356 3.021 93 HD1 PHE 13 HD1 PHE 13 0.563 18.292 5.346 94 HD2 PHE 13 HD2 PHE 13 0.105 20.762 1.889 95 HE1 PHE 13 HE1 PHE 13 -0.509 20.015 6.724 96 HE2 PHE 13 HE2 PHE 13 -0.976 22.485 3.273 97 HZ PHE 13 HZ PHE 13 -1.277 22.113 5.689 98 H PHE 14 HN PHE 14 3.248 18.304 0.158 99 HA PHE 14 HA PHE 14 4.250 21.008 -0.243 100 HB2 PHE 14 HB2 PHE 14 5.195 19.142 -1.554 101 HB3 PHE 14 HB1 PHE 14 3.610 18.736 -2.193 102 HD1 PHE 14 HD1 PHE 14 6.282 21.341 -2.243 103 HD2 PHE 14 HD2 PHE 14 2.775 19.830 -4.180 104 HE1 PHE 14 HE1 PHE 14 6.694 22.823 -4.158 105 HE2 PHE 14 HE2 PHE 14 3.202 21.312 -6.093 106 HZ PHE 14 HZ PHE 14 5.156 22.813 -6.085 107 H SER 15 HN SER 15 1.464 19.075 -0.962 108 HA SER 15 HA SER 15 -0.444 21.213 -0.942 109 HB2 SER 15 HB2 SER 15 -1.260 20.785 -3.292 110 HB3 SER 15 HB1 SER 15 0.363 21.470 -3.263 111 HG SER 15 HG SER 15 0.775 19.812 -4.510 112 H GLU 16 HN GLU 16 -2.676 20.023 -1.857 113 HA GLU 16 HA GLU 16 -3.254 17.803 -0.192 114 HB2 GLU 16 HB2 GLU 16 -4.667 18.851 -2.685 115 HB3 GLU 16 HB1 GLU 16 -5.314 17.563 -1.676 116 HG2 GLU 16 HG2 GLU 16 -4.761 20.399 -0.753 117 HG3 GLU 16 HG1 GLU 16 -6.341 19.755 -1.197 118 H ASN 17 HN ASN 17 -2.500 18.019 -3.676 119 HA ASN 17 HA ASN 17 -2.498 15.206 -4.219 120 HB2 ASN 17 HB2 ASN 17 -1.139 17.480 -5.738 121 HB3 ASN 17 HB1 ASN 17 -1.379 15.848 -6.352 122 HD21 ASN 17 HD21 ASN 17 -2.286 18.374 -7.441 123 HD22 ASN 17 HD22 ASN 17 -4.004 18.241 -7.574 124 H GLY 18 HN GLY 18 -0.168 17.536 -3.147 125 HA2 GLY 18 HA2 GLY 18 2.302 16.213 -3.440 126 HA3 GLY 18 HA1 GLY 18 1.957 17.429 -2.217 127 H LEU 19 HN LEU 19 0.166 16.343 -0.595 128 HA LEU 19 HA LEU 19 1.487 14.575 1.081 129 HB2 LEU 19 HB2 LEU 19 -0.420 16.221 1.545 130 HB3 LEU 19 HB1 LEU 19 -1.524 15.029 0.915 131 HG LEU 19 HG LEU 19 -1.329 15.207 3.463 132 HD11 LEU 19 HD11 LEU 19 -0.864 12.435 2.331 133 HD12 LEU 19 HD12 LEU 19 -2.417 13.263 2.443 134 HD13 LEU 19 HD13 LEU 19 -1.548 12.830 3.912 135 HD21 LEU 19 HD21 LEU 19 0.542 14.116 4.565 136 HD22 LEU 19 HD22 LEU 19 1.113 15.453 3.576 137 HD23 LEU 19 HD23 LEU 19 1.318 13.789 3.014 138 H ARG 20 HN ARG 20 -1.187 13.960 -1.185 139 HA ARG 20 HA ARG 20 -1.607 11.241 -0.559 140 HB2 ARG 20 HB2 ARG 20 -2.291 12.737 -3.099 141 HB3 ARG 20 HB1 ARG 20 -2.921 11.153 -2.641 142 HG2 ARG 20 HG2 ARG 20 -3.759 12.336 -0.478 143 HG3 ARG 20 HG1 ARG 20 -3.469 13.834 -1.361 144 HD2 ARG 20 HD2 ARG 20 -5.304 11.586 -2.171 145 HD3 ARG 20 HD1 ARG 20 -5.796 13.166 -1.557 146 HE ARG 20 HE ARG 20 -4.351 12.819 -4.122 147 HH11 ARG 20 HH11 ARG 20 -6.911 14.363 -2.306 148 HH12 ARG 20 HH12 ARG 20 -7.568 15.164 -3.696 149 HH21 ARG 20 HH21 ARG 20 -5.229 13.849 -5.922 150 HH22 ARG 20 HH22 ARG 20 -6.627 14.860 -5.744 151 H GLU 21 HN GLU 21 0.264 12.712 -3.186 152 HA GLU 21 HA GLU 21 1.266 10.491 -4.486 153 HB2 GLU 21 HB2 GLU 21 1.561 13.079 -4.950 154 HB3 GLU 21 HB1 GLU 21 3.020 12.930 -3.988 155 HG2 GLU 21 HG2 GLU 21 2.444 11.386 -6.548 156 HG3 GLU 21 HG1 GLU 21 3.408 12.853 -6.448 157 H HIS 22 HN HIS 22 2.490 12.128 -1.608 158 HA HIS 22 HA HIS 22 4.804 10.458 -1.252 159 HB2 HIS 22 HB2 HIS 22 5.064 12.638 -0.347 160 HB3 HIS 22 HB1 HIS 22 3.506 12.598 0.470 161 HD1 HIS 22 HD1 HIS 22 6.892 10.817 0.760 162 HD2 HIS 22 HD2 HIS 22 3.659 11.988 3.062 163 HE1 HIS 22 HE1 HIS 22 7.361 9.996 3.104 164 H LEU 23 HN LEU 23 1.467 10.162 -0.318 165 HA LEU 23 HA LEU 23 1.715 8.702 2.103 166 HB2 LEU 23 HB2 LEU 23 -0.317 9.968 1.205 167 HB3 LEU 23 HB1 LEU 23 -0.620 8.568 0.189 168 HG LEU 23 HG LEU 23 -0.724 7.171 2.322 169 HD11 LEU 23 HD11 LEU 23 -1.142 8.338 4.449 170 HD12 LEU 23 HD12 LEU 23 -0.810 9.885 3.669 171 HD13 LEU 23 HD13 LEU 23 0.471 8.682 3.825 172 HD21 LEU 23 HD21 LEU 23 -2.774 7.841 1.123 173 HD22 LEU 23 HD22 LEU 23 -2.811 9.361 2.022 174 HD23 LEU 23 HD23 LEU 23 -3.037 7.827 2.867 175 H GLN 24 HN GLN 24 1.920 7.699 -1.217 176 HA GLN 24 HA GLN 24 1.302 4.981 -1.114 177 HB2 GLN 24 HB2 GLN 24 3.378 6.353 -2.873 178 HB3 GLN 24 HB1 GLN 24 2.664 4.776 -3.171 179 HG2 GLN 24 HG2 GLN 24 0.442 5.816 -3.444 180 HG3 GLN 24 HG1 GLN 24 1.153 7.399 -3.135 181 HE21 GLN 24 HE21 GLN 24 2.495 8.339 -4.760 182 HE22 GLN 24 HE22 GLN 24 2.470 7.764 -6.387 183 H THR 25 HN THR 25 3.953 6.553 0.274 184 HA THR 25 HA THR 25 5.906 4.398 0.209 185 HB THR 25 HB THR 25 7.263 5.827 1.716 186 HG1 THR 25 HG1 THR 25 5.730 8.057 1.623 187 HG21 THR 25 HG21 THR 25 6.081 7.403 -0.590 188 HG22 THR 25 HG22 THR 25 7.416 6.260 -0.714 189 HG23 THR 25 HG23 THR 25 7.618 7.751 0.209 190 H HIS 26 HN HIS 26 3.087 4.697 1.870 191 HA HIS 26 HA HIS 26 3.997 3.142 4.247 192 HB2 HIS 26 HB2 HIS 26 1.662 5.112 4.199 193 HB3 HIS 26 HB1 HIS 26 2.285 4.248 5.606 194 HD1 HIS 26 HD1 HIS 26 4.708 4.999 6.412 195 HD2 HIS 26 HD2 HIS 26 2.882 7.466 3.633 196 HE1 HIS 26 HE1 HIS 26 6.061 7.109 6.340 197 H ARG 27 HN ARG 27 1.765 3.527 1.648 198 HA ARG 27 HA ARG 27 -0.340 1.854 2.356 199 HB2 ARG 27 HB2 ARG 27 -0.303 3.406 0.409 200 HB3 ARG 27 HB1 ARG 27 0.832 2.340 -0.409 201 HG2 ARG 27 HG2 ARG 27 -0.928 0.536 -0.336 202 HG3 ARG 27 HG1 ARG 27 -2.051 1.742 0.304 203 HD2 ARG 27 HD2 ARG 27 -2.334 1.456 -2.121 204 HD3 ARG 27 HD1 ARG 27 -1.782 3.091 -1.733 205 HE ARG 27 HE ARG 27 0.456 1.448 -2.258 206 HH11 ARG 27 HH11 ARG 27 -2.215 2.910 -4.019 207 HH12 ARG 27 HH12 ARG 27 -1.320 3.009 -5.503 208 HH21 ARG 27 HH21 ARG 27 1.590 1.586 -4.197 209 HH22 ARG 27 HH22 ARG 27 0.823 2.248 -5.606 210 H GLY 28 HN GLY 28 2.654 1.100 0.590 211 HA2 GLY 28 HA2 GLY 28 2.371 -1.800 1.193 212 HA3 GLY 28 HA1 GLY 28 3.401 -1.074 -0.032 213 HA PRO 29 HA PRO 29 6.376 -1.634 3.441 214 HB2 PRO 29 HB2 PRO 29 8.549 -2.215 1.922 215 HB3 PRO 29 HB1 PRO 29 7.292 -3.415 2.247 216 HG2 PRO 29 HG2 PRO 29 7.669 -1.696 -0.197 217 HG3 PRO 29 HG1 PRO 29 7.329 -3.439 -0.100 218 HD2 PRO 29 HD2 PRO 29 5.373 -1.563 -0.552 219 HD3 PRO 29 HD1 PRO 29 5.048 -3.095 0.281 220 H ALA 30 HN ALA 30 8.287 -0.438 4.027 221 HA ALA 30 HA ALA 30 8.648 2.198 2.687 222 HB1 ALA 30 HB1 ALA 30 9.385 3.032 4.907 223 HB2 ALA 30 HB2 ALA 30 9.091 1.439 5.608 224 HB3 ALA 30 HB3 ALA 30 7.744 2.394 4.985 225 H LYS 31 HN LYS 31 9.863 -0.076 1.682 226 HA LYS 31 HA LYS 31 12.206 -0.947 2.963 227 HB2 LYS 31 HB2 LYS 31 10.774 -2.201 1.242 228 HB3 LYS 31 HB1 LYS 31 11.572 -1.252 0.002 229 HG2 LYS 31 HG2 LYS 31 12.830 -3.192 -0.063 230 HG3 LYS 31 HG1 LYS 31 13.790 -2.231 1.058 231 HD2 LYS 31 HD2 LYS 31 11.782 -4.388 1.829 232 HD3 LYS 31 HD1 LYS 31 13.529 -4.588 1.785 233 HE2 LYS 31 HE2 LYS 31 13.703 -2.824 3.570 234 HE3 LYS 31 HE1 LYS 31 11.944 -2.822 3.679 235 HZ1 LYS 31 HZ1 LYS 31 13.737 -5.120 4.218 236 HZ2 LYS 31 HZ2 LYS 31 12.051 -5.177 4.272 237 HZ3 LYS 31 HZ3 LYS 31 12.899 -4.210 5.365 238 H HIS 32 HN HIS 32 14.323 -0.390 2.794 239 HA HIS 32 HA HIS 32 14.906 2.289 2.010 240 HB2 HIS 32 HB2 HIS 32 16.754 0.077 2.981 241 HB3 HIS 32 HB1 HIS 32 17.267 1.748 2.724 242 HD1 HIS 32 HD1 HIS 32 17.404 0.405 5.550 243 HD2 HIS 32 HD2 HIS 32 14.244 2.747 4.211 244 HE1 HIS 32 HE1 HIS 32 16.295 1.299 7.620 245 HE2 HIS 32 HE2 HIS 32 14.322 2.624 6.785 246 H TYR 33 HN TYR 33 15.600 -0.857 0.531 247 HA TYR 33 HA TYR 33 15.642 0.617 -2.002 248 HB2 TYR 33 HB2 TYR 33 18.079 -0.350 -1.113 249 HB3 TYR 33 HB1 TYR 33 17.492 -1.758 -1.963 250 HD1 TYR 33 HD2 TYR 33 16.478 -1.250 -4.425 251 HD2 TYR 33 HD1 TYR 33 19.315 1.235 -2.403 252 HE1 TYR 33 HE2 TYR 33 17.180 -0.289 -6.570 253 HE2 TYR 33 HE1 TYR 33 20.002 2.194 -4.552 254 HH TYR 33 HH TYR 33 18.238 1.872 -7.358 255 H MET 34 HN MET 34 13.844 -0.109 -2.976 256 HA MET 34 HA MET 34 13.179 -2.994 -2.964 257 HB2 MET 34 HB2 MET 34 11.305 -1.356 -2.720 258 HB3 MET 34 HB1 MET 34 11.735 -0.621 -4.259 259 HG2 MET 34 HG2 MET 34 11.201 -2.749 -5.410 260 HG3 MET 34 HG1 MET 34 10.741 -3.463 -3.864 261 HE1 MET 34 HE1 MET 34 9.200 -1.013 -2.426 262 HE2 MET 34 HE2 MET 34 8.587 -2.667 -2.451 263 HE3 MET 34 HE3 MET 34 7.547 -1.334 -2.946 264 H CYS 35 HN CYS 35 13.987 -4.239 -4.595 265 HA CYS 35 HA CYS 35 16.072 -3.219 -6.203 266 HB2 CYS 35 HB2 CYS 35 15.757 -5.528 -5.144 267 HB3 CYS 35 HB1 CYS 35 14.703 -5.897 -6.478 268 HA PRO 36 HA PRO 36 13.650 -1.495 -9.583 269 HB2 PRO 36 HB2 PRO 36 15.547 -1.761 -11.658 270 HB3 PRO 36 HB1 PRO 36 15.443 -0.415 -10.515 271 HG2 PRO 36 HG2 PRO 36 17.184 -2.874 -10.401 272 HG3 PRO 36 HG1 PRO 36 17.597 -1.185 -10.027 273 HD2 PRO 36 HD2 PRO 36 17.144 -2.927 -8.056 274 HD3 PRO 36 HD1 PRO 36 16.521 -1.263 -7.930 275 H ILE 37 HN ILE 37 15.352 -4.574 -10.483 276 HA ILE 37 HA ILE 37 13.458 -5.095 -12.618 277 HB ILE 37 HB ILE 37 15.720 -6.811 -11.499 278 HG12 ILE 37 HG12 ILE 37 15.751 -4.987 -13.960 279 HG13 ILE 37 HG11 ILE 37 16.469 -4.578 -12.409 280 HG21 ILE 37 HG21 ILE 37 14.220 -7.057 -14.138 281 HG22 ILE 37 HG22 ILE 37 14.091 -8.154 -12.764 282 HG23 ILE 37 HG23 ILE 37 15.608 -8.032 -13.647 283 HD11 ILE 37 HD11 ILE 37 18.024 -6.463 -12.636 284 HD12 ILE 37 HD12 ILE 37 18.154 -5.302 -13.958 285 HD13 ILE 37 HD13 ILE 37 17.321 -6.834 -14.217 286 H CYS 38 HN CYS 38 14.304 -6.753 -9.493 287 HA CYS 38 HA CYS 38 12.018 -8.555 -9.895 288 HB2 CYS 38 HB2 CYS 38 13.084 -10.096 -8.431 289 HB3 CYS 38 HB1 CYS 38 14.326 -9.493 -9.509 290 H GLY 39 HN GLY 39 13.283 -6.267 -7.443 291 HA2 GLY 39 HA2 GLY 39 12.189 -4.930 -6.000 292 HA3 GLY 39 HA1 GLY 39 10.670 -5.510 -6.667 293 H GLU 40 HN GLU 40 12.964 -7.719 -5.296 294 HA GLU 40 HA GLU 40 11.244 -8.678 -3.265 295 HB2 GLU 40 HB2 GLU 40 14.242 -9.072 -3.600 296 HB3 GLU 40 HB1 GLU 40 13.190 -10.040 -2.574 297 HG2 GLU 40 HG2 GLU 40 11.966 -10.870 -4.522 298 HG3 GLU 40 HG1 GLU 40 12.902 -9.826 -5.590 299 H ARG 41 HN ARG 41 11.814 -8.802 -0.918 300 HA ARG 41 HA ARG 41 12.479 -6.156 0.160 301 HB2 ARG 41 HB2 ARG 41 11.450 -8.580 1.698 302 HB3 ARG 41 HB1 ARG 41 11.428 -6.898 2.217 303 HG2 ARG 41 HG2 ARG 41 9.762 -8.123 -0.000 304 HG3 ARG 41 HG1 ARG 41 9.190 -7.652 1.598 305 HD2 ARG 41 HD2 ARG 41 9.618 -5.294 1.091 306 HD3 ARG 41 HD1 ARG 41 10.303 -5.725 -0.482 307 HE ARG 41 HE ARG 41 7.478 -6.256 0.257 308 HH11 ARG 41 HH11 ARG 41 9.806 -5.060 -2.072 309 HH12 ARG 41 HH12 ARG 41 8.615 -4.797 -3.303 310 HH21 ARG 41 HH21 ARG 41 5.933 -5.886 -1.353 311 HH22 ARG 41 HH22 ARG 41 6.423 -5.254 -2.894 312 H PHE 42 HN PHE 42 14.492 -5.776 0.904 313 HA PHE 42 HA PHE 42 16.172 -8.003 1.901 314 HB2 PHE 42 HB2 PHE 42 17.068 -5.274 0.855 315 HB3 PHE 42 HB1 PHE 42 18.117 -6.620 1.300 316 HD1 PHE 42 HD2 PHE 42 18.138 -8.711 -0.067 317 HD2 PHE 42 HD1 PHE 42 15.918 -5.271 -1.307 318 HE1 PHE 42 HE2 PHE 42 17.896 -9.675 -2.315 319 HE2 PHE 42 HE1 PHE 42 15.665 -6.252 -3.542 320 HZ PHE 42 HZ PHE 42 16.654 -8.448 -4.053 321 HA PRO 43 HA PRO 43 15.743 -6.487 6.060 322 HB2 PRO 43 HB2 PRO 43 18.338 -6.981 7.040 323 HB3 PRO 43 HB1 PRO 43 17.034 -8.172 6.950 324 HG2 PRO 43 HG2 PRO 43 19.280 -7.670 5.001 325 HG3 PRO 43 HG1 PRO 43 18.631 -9.217 5.589 326 HD2 PRO 43 HD2 PRO 43 17.963 -8.314 3.167 327 HD3 PRO 43 HD1 PRO 43 16.732 -9.090 4.191 328 H SER 44 HN SER 44 18.519 -5.332 4.184 329 HA SER 44 HA SER 44 18.020 -2.591 4.887 330 HB2 SER 44 HB2 SER 44 19.368 -3.398 6.876 331 HB3 SER 44 HB1 SER 44 20.703 -3.732 5.784 332 HG SER 44 HG SER 44 20.674 -1.633 6.920 333 H LEU 45 HN LEU 45 20.133 -1.304 4.017 334 HA LEU 45 HA LEU 45 20.182 -2.020 1.152 335 HB2 LEU 45 HB2 LEU 45 19.501 0.329 2.286 336 HB3 LEU 45 HB1 LEU 45 21.227 0.616 2.212 337 HG LEU 45 HG LEU 45 19.493 -0.018 -0.215 338 HD11 LEU 45 HD11 LEU 45 18.804 2.118 0.761 339 HD12 LEU 45 HD12 LEU 45 19.616 2.371 -0.780 340 HD13 LEU 45 HD13 LEU 45 20.473 2.693 0.730 341 HD21 LEU 45 HD21 LEU 45 21.382 0.801 -1.564 342 HD22 LEU 45 HD22 LEU 45 21.855 -0.587 -0.587 343 HD23 LEU 45 HD23 LEU 45 22.338 1.037 -0.096 344 H LEU 46 HN LEU 46 21.706 -3.751 2.229 345 HA LEU 46 HA LEU 46 24.436 -3.028 1.421 346 HB2 LEU 46 HB2 LEU 46 23.885 -4.715 3.912 347 HB3 LEU 46 HB1 LEU 46 25.455 -4.448 3.180 348 HG LEU 46 HG LEU 46 24.990 -1.899 3.735 349 HD11 LEU 46 HD11 LEU 46 23.167 -3.207 5.774 350 HD12 LEU 46 HD12 LEU 46 22.670 -2.129 4.473 351 HD13 LEU 46 HD13 LEU 46 23.681 -1.515 5.776 352 HD21 LEU 46 HD21 LEU 46 25.744 -3.876 5.912 353 HD22 LEU 46 HD22 LEU 46 26.086 -2.145 5.926 354 HD23 LEU 46 HD23 LEU 46 26.830 -3.176 4.710 355 H THR 47 HN THR 47 22.226 -5.601 2.479 356 HA THR 47 HA THR 47 23.247 -7.711 0.925 357 HB THR 47 HB THR 47 20.927 -8.751 1.208 358 HG1 THR 47 HG1 THR 47 19.358 -7.574 2.004 359 HG21 THR 47 HG21 THR 47 22.264 -7.697 3.732 360 HG22 THR 47 HG22 THR 47 22.696 -9.177 2.874 361 HG23 THR 47 HG23 THR 47 21.123 -9.037 3.660 362 H LEU 48 HN LEU 48 20.993 -5.095 0.076 363 HA LEU 48 HA LEU 48 20.168 -6.011 -2.456 364 HB2 LEU 48 HB2 LEU 48 19.251 -3.934 -1.272 365 HB3 LEU 48 HB1 LEU 48 20.730 -3.105 -1.704 366 HG LEU 48 HG LEU 48 18.636 -2.624 -3.139 367 HD11 LEU 48 HD11 LEU 48 19.824 -2.350 -5.233 368 HD12 LEU 48 HD12 LEU 48 21.109 -3.424 -4.676 369 HD13 LEU 48 HD13 LEU 48 20.839 -1.876 -3.872 370 HD21 LEU 48 HD21 LEU 48 19.256 -5.319 -4.362 371 HD22 LEU 48 HD22 LEU 48 18.090 -4.141 -4.974 372 HD23 LEU 48 HD23 LEU 48 17.827 -4.907 -3.413 373 H THR 49 HN THR 49 23.094 -4.287 -1.437 374 HA THR 49 HA THR 49 24.150 -3.710 -4.006 375 HB THR 49 HB THR 49 25.745 -4.020 -1.417 376 HG1 THR 49 HG1 THR 49 25.176 -1.812 -1.060 377 HG21 THR 49 HG21 THR 49 26.155 -2.203 -3.832 378 HG22 THR 49 HG22 THR 49 27.109 -3.635 -3.443 379 HG23 THR 49 HG23 THR 49 27.160 -2.230 -2.382 380 H GLU 50 HN GLU 50 24.755 -6.281 -1.671 381 HA GLU 50 HA GLU 50 26.638 -7.827 -3.102 382 HB2 GLU 50 HB2 GLU 50 24.580 -8.831 -1.085 383 HB3 GLU 50 HB1 GLU 50 26.091 -9.619 -1.519 384 HG2 GLU 50 HG2 GLU 50 25.812 -6.980 -0.058 385 HG3 GLU 50 HG1 GLU 50 26.253 -8.525 0.661 386 H HIS 51 HN HIS 51 23.099 -7.911 -3.020 387 HA HIS 51 HA HIS 51 22.733 -10.309 -4.491 388 HB2 HIS 51 HB2 HIS 51 20.961 -9.819 -3.070 389 HB3 HIS 51 HB1 HIS 51 20.976 -8.105 -3.442 390 HD1 HIS 51 HD1 HIS 51 19.607 -11.378 -4.731 391 HD2 HIS 51 HD2 HIS 51 19.302 -7.295 -5.443 392 HE1 HIS 51 HE1 HIS 51 17.626 -11.063 -6.275 393 H LYS 52 HN LYS 52 22.525 -6.903 -5.470 394 HA LYS 52 HA LYS 52 21.079 -7.121 -7.795 395 HB2 LYS 52 HB2 LYS 52 21.996 -4.886 -8.412 396 HB3 LYS 52 HB1 LYS 52 21.457 -4.979 -6.742 397 HG2 LYS 52 HG2 LYS 52 23.825 -5.280 -6.030 398 HG3 LYS 52 HG1 LYS 52 24.333 -5.061 -7.703 399 HD2 LYS 52 HD2 LYS 52 22.740 -2.956 -6.190 400 HD3 LYS 52 HD1 LYS 52 24.499 -3.022 -6.134 401 HE2 LYS 52 HE2 LYS 52 23.814 -1.383 -7.776 402 HE3 LYS 52 HE1 LYS 52 24.562 -2.744 -8.608 403 HZ1 LYS 52 HZ1 LYS 52 22.573 -1.920 -9.707 404 HZ2 LYS 52 HZ2 LYS 52 21.641 -2.301 -8.354 405 HZ3 LYS 52 HZ3 LYS 52 22.398 -3.529 -9.236 406 H VAL 53 HN VAL 53 24.512 -7.649 -7.420 407 HA VAL 53 HA VAL 53 25.388 -7.455 -10.084 408 HB VAL 53 HB VAL 53 27.391 -8.666 -9.370 409 HG11 VAL 53 HG11 VAL 53 28.087 -7.264 -7.452 410 HG12 VAL 53 HG12 VAL 53 26.402 -6.815 -7.172 411 HG13 VAL 53 HG13 VAL 53 27.210 -6.326 -8.662 412 HG21 VAL 53 HG21 VAL 53 26.393 -10.515 -8.103 413 HG22 VAL 53 HG22 VAL 53 25.868 -9.400 -6.841 414 HG23 VAL 53 HG23 VAL 53 27.590 -9.684 -7.109 415 H THR 54 HN THR 54 23.603 -9.991 -8.521 416 HA THR 54 HA THR 54 24.388 -12.110 -10.339 417 HB THR 54 HB THR 54 22.904 -13.577 -9.041 418 HG1 THR 54 HG1 THR 54 21.814 -11.173 -8.225 419 HG21 THR 54 HG21 THR 54 23.989 -13.384 -6.820 420 HG22 THR 54 HG22 THR 54 24.564 -11.769 -7.235 421 HG23 THR 54 HG23 THR 54 25.161 -13.173 -8.123 422 H HIS 55 HN HIS 55 22.300 -9.590 -10.827 423 HA HIS 55 HA HIS 55 20.144 -10.981 -12.172 424 HB2 HIS 55 HB2 HIS 55 20.933 -8.084 -11.827 425 HB3 HIS 55 HB1 HIS 55 19.842 -8.487 -13.139 426 HD1 HIS 55 HD1 HIS 55 17.496 -9.534 -12.434 427 HD2 HIS 55 HD2 HIS 55 19.769 -7.949 -9.338 428 HE1 HIS 55 HE1 HIS 55 15.910 -9.167 -10.506 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -5.874 26.490 3.309 2 H2 MET 1 HT2 MET 1 -4.686 25.302 3.470 3 H3 MET 1 HT3 MET 1 -6.282 24.965 3.907 4 HA MET 1 HA MET 1 -6.996 25.231 1.622 5 HB2 MET 1 HB2 MET 1 -4.004 25.562 1.112 6 HB3 MET 1 HB1 MET 1 -5.200 25.353 -0.159 7 HG2 MET 1 HG2 MET 1 -4.554 27.680 -0.005 8 HG3 MET 1 HG1 MET 1 -6.236 27.516 0.506 9 HE1 MET 1 HE1 MET 1 -4.258 30.057 1.082 10 HE2 MET 1 HE2 MET 1 -4.722 30.437 2.739 11 HE3 MET 1 HE3 MET 1 -5.964 30.032 1.555 12 H GLY 2 HN GLY 2 -6.112 23.550 -0.231 13 HA2 GLY 2 HA2 GLY 2 -6.259 20.927 0.767 14 HA3 GLY 2 HA1 GLY 2 -5.713 21.378 -0.842 15 H SER 3 HN SER 3 -4.751 20.481 2.343 16 HA SER 3 HA SER 3 -2.095 19.718 1.676 17 HB2 SER 3 HB2 SER 3 -1.007 21.285 3.401 18 HB3 SER 3 HB1 SER 3 -1.541 22.078 1.920 19 HG SER 3 HG SER 3 -3.604 22.188 3.481 20 H HIS 4 HN HIS 4 -2.288 17.686 2.772 21 HA HIS 4 HA HIS 4 -3.825 17.652 5.279 22 HB2 HIS 4 HB2 HIS 4 -4.035 16.042 2.960 23 HB3 HIS 4 HB1 HIS 4 -3.187 15.011 4.095 24 HD1 HIS 4 HD1 HIS 4 -6.489 15.936 3.079 25 HD2 HIS 4 HD2 HIS 4 -4.729 14.843 6.680 26 HE1 HIS 4 HE1 HIS 4 -8.379 15.210 4.566 27 HE2 HIS 4 HE2 HIS 4 -7.285 14.517 6.727 28 H LYS 5 HN LYS 5 -3.032 15.934 6.837 29 HA LYS 5 HA LYS 5 -0.088 16.130 7.128 30 HB2 LYS 5 HB2 LYS 5 -1.455 17.299 8.870 31 HB3 LYS 5 HB1 LYS 5 -2.215 15.771 9.288 32 HG2 LYS 5 HG2 LYS 5 0.055 14.892 9.913 33 HG3 LYS 5 HG1 LYS 5 0.712 16.506 9.639 34 HD2 LYS 5 HD2 LYS 5 -1.406 15.753 11.699 35 HD3 LYS 5 HD1 LYS 5 0.292 16.073 12.040 36 HE2 LYS 5 HE2 LYS 5 -0.872 18.053 12.659 37 HE3 LYS 5 HE1 LYS 5 -0.107 18.431 11.121 38 HZ1 LYS 5 HZ1 LYS 5 -2.927 17.545 11.330 39 HZ2 LYS 5 HZ2 LYS 5 -2.163 18.277 10.011 40 HZ3 LYS 5 HZ3 LYS 5 -2.473 19.170 11.409 41 H CYS 6 HN CYS 6 0.857 14.244 6.565 42 HA CYS 6 HA CYS 6 -0.315 11.648 6.782 43 HB2 CYS 6 HB2 CYS 6 1.542 12.176 5.203 44 HB3 CYS 6 HB1 CYS 6 2.615 12.433 6.560 45 H ASN 7 HN ASN 7 -1.092 11.460 8.896 46 HA ASN 7 HA ASN 7 0.132 12.059 11.305 47 HB2 ASN 7 HB2 ASN 7 -1.759 9.726 10.796 48 HB3 ASN 7 HB1 ASN 7 -1.481 10.518 12.345 49 HD21 ASN 7 HD21 ASN 7 -2.277 12.648 12.643 50 HD22 ASN 7 HD22 ASN 7 -3.554 13.282 11.667 51 H VAL 8 HN VAL 8 0.581 9.214 9.300 52 HA VAL 8 HA VAL 8 1.889 7.431 11.010 53 HB VAL 8 HB VAL 8 2.559 7.857 8.061 54 HG11 VAL 8 HG11 VAL 8 3.081 5.441 8.046 55 HG12 VAL 8 HG12 VAL 8 2.761 5.344 9.781 56 HG13 VAL 8 HG13 VAL 8 4.110 6.314 9.181 57 HG21 VAL 8 HG21 VAL 8 0.284 6.217 9.243 58 HG22 VAL 8 HG22 VAL 8 0.749 6.242 7.536 59 HG23 VAL 8 HG23 VAL 8 0.140 7.706 8.308 60 H CYS 9 HN CYS 9 3.186 10.037 9.034 61 HA CYS 9 HA CYS 9 5.918 9.839 10.077 62 HB2 CYS 9 HB2 CYS 9 4.588 11.691 8.070 63 HB3 CYS 9 HB1 CYS 9 6.266 11.834 8.560 64 H SER 10 HN SER 10 3.036 11.544 10.633 65 HA SER 10 HA SER 10 2.247 13.031 12.092 66 HB2 SER 10 HB2 SER 10 5.047 13.123 13.280 67 HB3 SER 10 HB1 SER 10 3.617 13.877 13.994 68 HG SER 10 HG SER 10 2.778 11.537 13.723 69 H ARG 11 HN ARG 11 3.977 13.670 9.546 70 HA ARG 11 HA ARG 11 4.125 16.610 9.941 71 HB2 ARG 11 HB2 ARG 11 5.795 14.839 8.106 72 HB3 ARG 11 HB1 ARG 11 5.835 16.601 8.102 73 HG2 ARG 11 HG2 ARG 11 6.567 16.509 10.519 74 HG3 ARG 11 HG1 ARG 11 6.717 14.757 10.347 75 HD2 ARG 11 HD2 ARG 11 8.389 15.065 8.578 76 HD3 ARG 11 HD1 ARG 11 8.223 16.822 8.694 77 HE ARG 11 HE ARG 11 9.124 15.196 11.004 78 HH11 ARG 11 HH11 ARG 11 9.677 17.889 8.799 79 HH12 ARG 11 HH12 ARG 11 11.121 18.402 9.608 80 HH21 ARG 11 HH21 ARG 11 11.009 15.920 12.053 81 HH22 ARG 11 HH22 ARG 11 11.868 17.295 11.432 82 H THR 12 HN THR 12 4.108 17.655 7.606 83 HA THR 12 HA THR 12 1.577 16.779 6.326 84 HB THR 12 HB THR 12 1.211 18.714 7.898 85 HG1 THR 12 HG1 THR 12 0.868 19.632 5.227 86 HG21 THR 12 HG21 THR 12 3.396 19.863 7.657 87 HG22 THR 12 HG22 THR 12 2.054 20.957 7.327 88 HG23 THR 12 HG23 THR 12 2.984 20.282 5.987 89 H PHE 13 HN PHE 13 1.363 17.276 4.125 90 HA PHE 13 HA PHE 13 3.700 18.424 2.699 91 HB2 PHE 13 HB2 PHE 13 2.406 16.120 2.026 92 HB3 PHE 13 HB1 PHE 13 1.350 17.238 1.195 93 HD1 PHE 13 HD1 PHE 13 2.346 18.756 -0.621 94 HD2 PHE 13 HD2 PHE 13 4.538 15.518 1.116 95 HE1 PHE 13 HE1 PHE 13 3.877 18.737 -2.549 96 HE2 PHE 13 HE2 PHE 13 6.063 15.516 -0.813 97 HZ PHE 13 HZ PHE 13 5.729 17.122 -2.654 98 H PHE 14 HN PHE 14 3.426 20.431 1.703 99 HA PHE 14 HA PHE 14 1.202 22.036 2.507 100 HB2 PHE 14 HB2 PHE 14 3.314 22.766 0.443 101 HB3 PHE 14 HB1 PHE 14 2.334 23.867 1.402 102 HD1 PHE 14 HD2 PHE 14 2.624 23.575 4.068 103 HD2 PHE 14 HD1 PHE 14 5.513 22.377 1.146 104 HE1 PHE 14 HE2 PHE 14 4.392 23.673 5.770 105 HE2 PHE 14 HE1 PHE 14 7.279 22.473 2.863 106 HZ PHE 14 HZ PHE 14 6.726 23.121 5.169 107 H SER 15 HN SER 15 1.343 19.819 0.003 108 HA SER 15 HA SER 15 -1.007 21.046 -1.301 109 HB2 SER 15 HB2 SER 15 1.185 19.429 -2.671 110 HB3 SER 15 HB1 SER 15 -0.249 20.119 -3.437 111 HG SER 15 HG SER 15 0.816 22.134 -2.249 112 H GLU 16 HN GLU 16 -2.737 19.716 -1.517 113 HA GLU 16 HA GLU 16 -3.083 17.547 0.193 114 HB2 GLU 16 HB2 GLU 16 -4.901 19.045 -0.653 115 HB3 GLU 16 HB1 GLU 16 -4.783 18.292 -2.230 116 HG2 GLU 16 HG2 GLU 16 -6.719 17.474 -0.960 117 HG3 GLU 16 HG1 GLU 16 -5.582 16.173 -1.327 118 H ASN 17 HN ASN 17 -3.001 17.454 -3.391 119 HA ASN 17 HA ASN 17 -3.043 14.602 -3.579 120 HB2 ASN 17 HB2 ASN 17 -2.198 16.638 -5.683 121 HB3 ASN 17 HB1 ASN 17 -2.518 14.932 -5.991 122 HD21 ASN 17 HD21 ASN 17 -4.191 15.359 -7.466 123 HD22 ASN 17 HD22 ASN 17 -5.705 16.038 -6.995 124 H GLY 18 HN GLY 18 -0.567 16.894 -3.018 125 HA2 GLY 18 HA2 GLY 18 1.718 15.344 -3.834 126 HA3 GLY 18 HA1 GLY 18 1.713 16.774 -2.804 127 H LEU 19 HN LEU 19 0.002 15.894 -0.717 128 HA LEU 19 HA LEU 19 1.510 14.188 0.911 129 HB2 LEU 19 HB2 LEU 19 -0.297 15.887 1.573 130 HB3 LEU 19 HB1 LEU 19 -1.488 14.694 1.149 131 HG LEU 19 HG LEU 19 -1.021 14.947 3.625 132 HD11 LEU 19 HD11 LEU 19 -1.078 12.593 4.208 133 HD12 LEU 19 HD12 LEU 19 -0.556 12.155 2.576 134 HD13 LEU 19 HD13 LEU 19 -2.120 12.935 2.827 135 HD21 LEU 19 HD21 LEU 19 1.632 13.629 2.994 136 HD22 LEU 19 HD22 LEU 19 0.983 13.973 4.600 137 HD23 LEU 19 HD23 LEU 19 1.392 15.298 3.518 138 H ARG 20 HN ARG 20 -1.427 13.573 -0.952 139 HA ARG 20 HA ARG 20 -1.700 10.812 -0.505 140 HB2 ARG 20 HB2 ARG 20 -2.504 12.387 -2.988 141 HB3 ARG 20 HB1 ARG 20 -3.165 10.824 -2.505 142 HG2 ARG 20 HG2 ARG 20 -3.449 13.422 -0.950 143 HG3 ARG 20 HG1 ARG 20 -4.687 12.692 -1.972 144 HD2 ARG 20 HD2 ARG 20 -4.865 10.779 -0.482 145 HD3 ARG 20 HD1 ARG 20 -3.504 11.354 0.482 146 HE ARG 20 HE ARG 20 -4.908 12.729 1.605 147 HH11 ARG 20 HH11 ARG 20 -6.556 11.970 -1.428 148 HH12 ARG 20 HH12 ARG 20 -8.034 12.734 -0.936 149 HH21 ARG 20 HH21 ARG 20 -6.853 13.653 2.231 150 HH22 ARG 20 HH22 ARG 20 -8.207 13.677 1.149 151 H GLU 21 HN GLU 21 0.274 12.569 -2.834 152 HA GLU 21 HA GLU 21 1.195 10.284 -4.291 153 HB2 GLU 21 HB2 GLU 21 1.138 12.583 -5.247 154 HB3 GLU 21 HB1 GLU 21 2.374 13.085 -4.101 155 HG2 GLU 21 HG2 GLU 21 3.957 11.487 -5.141 156 HG3 GLU 21 HG1 GLU 21 2.712 11.021 -6.303 157 H HIS 22 HN HIS 22 2.322 12.141 -1.510 158 HA HIS 22 HA HIS 22 4.821 10.860 -1.090 159 HB2 HIS 22 HB2 HIS 22 4.583 12.916 0.073 160 HB3 HIS 22 HB1 HIS 22 2.959 12.531 0.628 161 HD1 HIS 22 HD1 HIS 22 6.571 11.578 1.362 162 HD2 HIS 22 HD2 HIS 22 2.813 11.457 3.126 163 HE1 HIS 22 HE1 HIS 22 6.914 10.706 3.705 164 H LEU 23 HN LEU 23 1.524 10.177 -0.132 165 HA LEU 23 HA LEU 23 1.906 8.169 1.756 166 HB2 LEU 23 HB2 LEU 23 -0.231 9.578 0.766 167 HB3 LEU 23 HB1 LEU 23 -0.531 8.026 0.022 168 HG LEU 23 HG LEU 23 -0.257 8.501 3.013 169 HD11 LEU 23 HD11 LEU 23 -2.255 9.595 2.134 170 HD12 LEU 23 HD12 LEU 23 -2.687 8.214 3.139 171 HD13 LEU 23 HD13 LEU 23 -2.774 8.085 1.380 172 HD21 LEU 23 HD21 LEU 23 -1.147 6.002 1.539 173 HD22 LEU 23 HD22 LEU 23 -1.149 6.227 3.291 174 HD23 LEU 23 HD23 LEU 23 0.376 6.212 2.409 175 H GLN 24 HN GLN 24 2.161 8.089 -1.712 176 HA GLN 24 HA GLN 24 1.715 5.376 -2.237 177 HB2 GLN 24 HB2 GLN 24 3.509 7.296 -3.734 178 HB3 GLN 24 HB1 GLN 24 2.863 5.781 -4.356 179 HG2 GLN 24 HG2 GLN 24 1.255 8.239 -3.594 180 HG3 GLN 24 HG1 GLN 24 1.618 7.677 -5.212 181 HE21 GLN 24 HE21 GLN 24 -0.946 8.149 -3.878 182 HE22 GLN 24 HE22 GLN 24 -1.831 6.676 -4.035 183 H THR 25 HN THR 25 4.361 6.855 -0.598 184 HA THR 25 HA THR 25 6.290 4.753 -1.112 185 HB THR 25 HB THR 25 6.983 7.155 -0.632 186 HG1 THR 25 HG1 THR 25 8.149 4.877 -0.118 187 HG21 THR 25 HG21 THR 25 6.490 6.294 2.237 188 HG22 THR 25 HG22 THR 25 5.536 7.490 1.370 189 HG23 THR 25 HG23 THR 25 7.235 7.805 1.710 190 H HIS 26 HN HIS 26 3.724 5.306 1.065 191 HA HIS 26 HA HIS 26 4.532 3.318 3.060 192 HB2 HIS 26 HB2 HIS 26 2.025 5.054 2.847 193 HB3 HIS 26 HB1 HIS 26 2.370 3.947 4.173 194 HD1 HIS 26 HD1 HIS 26 4.477 4.596 5.702 195 HD2 HIS 26 HD2 HIS 26 3.129 7.556 3.110 196 HE1 HIS 26 HE1 HIS 26 5.417 6.772 6.558 197 H ARG 27 HN ARG 27 4.336 2.091 0.603 198 HA ARG 27 HA ARG 27 1.587 1.299 -0.026 199 HB2 ARG 27 HB2 ARG 27 2.555 0.288 -2.056 200 HB3 ARG 27 HB1 ARG 27 3.086 1.954 -1.864 201 HG2 ARG 27 HG2 ARG 27 5.269 1.166 -1.003 202 HG3 ARG 27 HG1 ARG 27 4.743 -0.507 -1.214 203 HD2 ARG 27 HD2 ARG 27 6.145 0.144 -3.094 204 HD3 ARG 27 HD1 ARG 27 4.486 -0.080 -3.665 205 HE ARG 27 HE ARG 27 5.117 2.630 -2.924 206 HH11 ARG 27 HH11 ARG 27 5.235 0.356 -5.614 207 HH12 ARG 27 HH12 ARG 27 5.266 1.612 -6.808 208 HH21 ARG 27 HH21 ARG 27 5.140 4.225 -4.491 209 HH22 ARG 27 HH22 ARG 27 5.220 3.808 -6.170 210 H GLY 28 HN GLY 28 4.025 0.150 1.964 211 HA2 GLY 28 HA2 GLY 28 2.855 -2.550 2.152 212 HA3 GLY 28 HA1 GLY 28 4.598 -2.353 2.003 213 HA PRO 29 HA PRO 29 3.469 -2.111 6.544 214 HB2 PRO 29 HB2 PRO 29 5.208 -4.347 7.175 215 HB3 PRO 29 HB1 PRO 29 3.446 -4.312 7.195 216 HG2 PRO 29 HG2 PRO 29 4.983 -5.790 5.394 217 HG3 PRO 29 HG1 PRO 29 3.285 -5.334 5.150 218 HD2 PRO 29 HD2 PRO 29 5.772 -4.048 4.051 219 HD3 PRO 29 HD1 PRO 29 4.201 -4.319 3.266 220 H ALA 30 HN ALA 30 4.585 -0.436 7.480 221 HA ALA 30 HA ALA 30 7.481 -0.229 7.386 222 HB1 ALA 30 HB1 ALA 30 5.495 1.370 9.043 223 HB2 ALA 30 HB2 ALA 30 6.092 1.821 7.448 224 HB3 ALA 30 HB3 ALA 30 7.209 1.750 8.810 225 H LYS 31 HN LYS 31 5.242 -0.332 10.164 226 HA LYS 31 HA LYS 31 6.502 -2.766 11.212 227 HB2 LYS 31 HB2 LYS 31 6.194 -0.177 12.805 228 HB3 LYS 31 HB1 LYS 31 6.144 -1.735 13.604 229 HG2 LYS 31 HG2 LYS 31 8.354 -1.152 13.921 230 HG3 LYS 31 HG1 LYS 31 8.461 -2.140 12.466 231 HD2 LYS 31 HD2 LYS 31 8.373 0.049 11.129 232 HD3 LYS 31 HD1 LYS 31 8.579 0.892 12.666 233 HE2 LYS 31 HE2 LYS 31 10.742 0.636 11.534 234 HE3 LYS 31 HE1 LYS 31 10.719 -0.325 13.015 235 HZ1 LYS 31 HZ1 LYS 31 10.273 -2.294 11.692 236 HZ2 LYS 31 HZ2 LYS 31 11.687 -1.535 11.157 237 HZ3 LYS 31 HZ3 LYS 31 10.255 -1.373 10.271 238 H HIS 32 HN HIS 32 4.459 -3.304 9.946 239 HA HIS 32 HA HIS 32 1.959 -2.695 11.443 240 HB2 HIS 32 HB2 HIS 32 2.168 -1.651 9.136 241 HB3 HIS 32 HB1 HIS 32 2.197 -3.267 8.451 242 HD1 HIS 32 HD1 HIS 32 -0.058 -0.825 10.153 243 HD2 HIS 32 HD2 HIS 32 -0.312 -4.490 8.259 244 HE1 HIS 32 HE1 HIS 32 -2.502 -1.205 9.782 245 HE2 HIS 32 HE2 HIS 32 -2.601 -3.325 8.444 246 H TYR 33 HN TYR 33 1.579 -4.500 12.625 247 HA TYR 33 HA TYR 33 2.222 -7.150 11.465 248 HB2 TYR 33 HB2 TYR 33 2.647 -6.075 14.276 249 HB3 TYR 33 HB1 TYR 33 2.627 -7.809 13.955 250 HD1 TYR 33 HD1 TYR 33 4.381 -4.627 13.102 251 HD2 TYR 33 HD2 TYR 33 4.565 -8.886 12.996 252 HE1 TYR 33 HE1 TYR 33 6.719 -4.511 12.368 253 HE2 TYR 33 HE2 TYR 33 6.907 -8.769 12.272 254 HH TYR 33 HH TYR 33 8.387 -7.114 11.076 255 H MET 34 HN MET 34 0.932 -8.809 11.785 256 HA MET 34 HA MET 34 -1.705 -8.483 13.089 257 HB2 MET 34 HB2 MET 34 -1.794 -9.034 10.654 258 HB3 MET 34 HB1 MET 34 -0.757 -10.429 10.913 259 HG2 MET 34 HG2 MET 34 -2.575 -11.362 12.429 260 HG3 MET 34 HG1 MET 34 -3.606 -10.054 11.841 261 HE1 MET 34 HE1 MET 34 -3.936 -10.970 8.023 262 HE2 MET 34 HE2 MET 34 -2.773 -9.857 8.740 263 HE3 MET 34 HE3 MET 34 -4.447 -9.868 9.302 264 H CYS 35 HN CYS 35 -2.250 -10.038 14.702 265 HA CYS 35 HA CYS 35 -0.176 -11.272 16.173 266 HB2 CYS 35 HB2 CYS 35 -2.195 -10.679 17.295 267 HB3 CYS 35 HB1 CYS 35 -3.161 -11.560 16.171 268 HA PRO 36 HA PRO 36 0.254 -15.174 13.955 269 HB2 PRO 36 HB2 PRO 36 1.452 -16.699 15.899 270 HB3 PRO 36 HB1 PRO 36 2.306 -15.437 15.004 271 HG2 PRO 36 HG2 PRO 36 1.054 -15.298 17.749 272 HG3 PRO 36 HG1 PRO 36 2.644 -14.711 17.212 273 HD2 PRO 36 HD2 PRO 36 0.506 -13.052 17.484 274 HD3 PRO 36 HD1 PRO 36 1.749 -12.794 16.235 275 H ILE 37 HN ILE 37 -1.094 -15.433 17.316 276 HA ILE 37 HA ILE 37 -2.054 -18.098 16.866 277 HB ILE 37 HB ILE 37 -2.405 -16.207 19.225 278 HG12 ILE 37 HG12 ILE 37 -0.412 -18.490 18.815 279 HG13 ILE 37 HG11 ILE 37 -0.024 -16.776 18.703 280 HG21 ILE 37 HG21 ILE 37 -2.901 -19.198 19.115 281 HG22 ILE 37 HG22 ILE 37 -4.129 -17.947 19.274 282 HG23 ILE 37 HG23 ILE 37 -2.967 -18.203 20.573 283 HD11 ILE 37 HD11 ILE 37 -0.930 -18.244 21.182 284 HD12 ILE 37 HD12 ILE 37 -0.578 -16.515 21.075 285 HD13 ILE 37 HD13 ILE 37 0.705 -17.695 20.810 286 H CYS 38 HN CYS 38 -3.828 -14.997 17.612 287 HA CYS 38 HA CYS 38 -6.269 -16.280 16.571 288 HB2 CYS 38 HB2 CYS 38 -7.551 -14.780 17.939 289 HB3 CYS 38 HB1 CYS 38 -6.365 -15.582 18.937 290 H GLY 39 HN GLY 39 -4.605 -13.022 16.429 291 HA2 GLY 39 HA2 GLY 39 -3.648 -12.434 14.393 292 HA3 GLY 39 HA1 GLY 39 -4.838 -13.398 13.546 293 H GLU 40 HN GLU 40 -5.594 -10.903 15.947 294 HA GLU 40 HA GLU 40 -6.899 -9.218 14.032 295 HB2 GLU 40 HB2 GLU 40 -7.131 -7.603 15.878 296 HB3 GLU 40 HB1 GLU 40 -7.709 -9.198 16.310 297 HG2 GLU 40 HG2 GLU 40 -4.936 -8.282 17.087 298 HG3 GLU 40 HG1 GLU 40 -6.343 -7.845 18.029 299 H ARG 41 HN ARG 41 -6.301 -6.950 13.681 300 HA ARG 41 HA ARG 41 -3.533 -6.791 12.791 301 HB2 ARG 41 HB2 ARG 41 -5.582 -6.149 11.357 302 HB3 ARG 41 HB1 ARG 41 -5.741 -4.717 12.363 303 HG2 ARG 41 HG2 ARG 41 -4.542 -3.972 10.469 304 HG3 ARG 41 HG1 ARG 41 -3.303 -4.186 11.713 305 HD2 ARG 41 HD2 ARG 41 -2.452 -5.122 9.669 306 HD3 ARG 41 HD1 ARG 41 -2.841 -6.487 10.729 307 HE ARG 41 HE ARG 41 -5.096 -5.930 9.165 308 HH11 ARG 41 HH11 ARG 41 -1.848 -7.188 8.640 309 HH12 ARG 41 HH12 ARG 41 -2.302 -8.062 7.215 310 HH21 ARG 41 HH21 ARG 41 -5.659 -7.070 7.314 311 HH22 ARG 41 HH22 ARG 41 -4.462 -7.997 6.469 312 H PHE 42 HN PHE 42 -2.061 -5.218 13.481 313 HA PHE 42 HA PHE 42 -2.845 -3.441 15.724 314 HB2 PHE 42 HB2 PHE 42 -0.188 -4.883 15.321 315 HB3 PHE 42 HB1 PHE 42 -0.507 -3.712 16.602 316 HD1 PHE 42 HD2 PHE 42 -2.161 -4.227 18.393 317 HD2 PHE 42 HD1 PHE 42 -1.049 -7.151 15.479 318 HE1 PHE 42 HE2 PHE 42 -3.181 -5.995 19.769 319 HE2 PHE 42 HE1 PHE 42 -2.076 -8.899 16.855 320 HZ PHE 42 HZ PHE 42 -3.152 -8.330 18.991 321 HA PRO 43 HA PRO 43 -1.413 -0.010 13.221 322 HB2 PRO 43 HB2 PRO 43 -1.083 1.909 15.140 323 HB3 PRO 43 HB1 PRO 43 -2.683 1.287 14.706 324 HG2 PRO 43 HG2 PRO 43 -0.898 0.449 17.006 325 HG3 PRO 43 HG1 PRO 43 -2.622 0.893 17.038 326 HD2 PRO 43 HD2 PRO 43 -1.812 -1.694 16.979 327 HD3 PRO 43 HD1 PRO 43 -3.295 -1.166 16.150 328 H SER 44 HN SER 44 0.587 -1.403 15.708 329 HA SER 44 HA SER 44 3.027 -0.700 14.346 330 HB2 SER 44 HB2 SER 44 4.066 0.373 16.407 331 HB3 SER 44 HB1 SER 44 2.834 1.339 15.616 332 HG SER 44 HG SER 44 2.778 1.064 18.030 333 H LEU 45 HN LEU 45 4.926 -1.699 15.359 334 HA LEU 45 HA LEU 45 4.338 -4.257 16.646 335 HB2 LEU 45 HB2 LEU 45 6.043 -4.138 14.820 336 HB3 LEU 45 HB1 LEU 45 7.025 -3.074 15.812 337 HG LEU 45 HG LEU 45 7.343 -4.899 17.471 338 HD11 LEU 45 HD11 LEU 45 6.624 -7.198 16.999 339 HD12 LEU 45 HD12 LEU 45 5.741 -6.637 15.578 340 HD13 LEU 45 HD13 LEU 45 5.247 -6.113 17.190 341 HD21 LEU 45 HD21 LEU 45 8.991 -4.644 15.661 342 HD22 LEU 45 HD22 LEU 45 8.066 -5.759 14.650 343 HD23 LEU 45 HD23 LEU 45 8.819 -6.330 16.141 344 H LEU 46 HN LEU 46 3.464 -3.255 18.488 345 HA LEU 46 HA LEU 46 5.324 -3.051 20.690 346 HB2 LEU 46 HB2 LEU 46 5.239 -0.680 19.852 347 HB3 LEU 46 HB1 LEU 46 3.488 -0.702 19.986 348 HG LEU 46 HG LEU 46 3.750 -1.023 22.486 349 HD11 LEU 46 HD11 LEU 46 5.993 -1.991 22.525 350 HD12 LEU 46 HD12 LEU 46 5.918 -0.549 23.527 351 HD13 LEU 46 HD13 LEU 46 6.684 -0.475 21.940 352 HD21 LEU 46 HD21 LEU 46 4.998 1.505 21.352 353 HD22 LEU 46 HD22 LEU 46 4.331 1.318 22.977 354 HD23 LEU 46 HD23 LEU 46 3.270 1.202 21.575 355 H THR 47 HN THR 47 2.039 -2.224 19.675 356 HA THR 47 HA THR 47 0.659 -3.198 21.945 357 HB THR 47 HB THR 47 -1.382 -3.032 20.440 358 HG1 THR 47 HG1 THR 47 -1.141 -2.641 18.334 359 HG21 THR 47 HG21 THR 47 0.469 -0.612 20.360 360 HG22 THR 47 HG22 THR 47 -0.607 -1.034 21.693 361 HG23 THR 47 HG23 THR 47 -1.281 -0.581 20.127 362 H LEU 48 HN LEU 48 1.615 -4.739 18.886 363 HA LEU 48 HA LEU 48 0.319 -7.209 19.150 364 HB2 LEU 48 HB2 LEU 48 1.454 -6.510 17.083 365 HB3 LEU 48 HB1 LEU 48 3.006 -6.507 17.885 366 HG LEU 48 HG LEU 48 2.497 -8.427 16.230 367 HD11 LEU 48 HD11 LEU 48 3.756 -10.107 17.465 368 HD12 LEU 48 HD12 LEU 48 3.479 -9.239 18.977 369 HD13 LEU 48 HD13 LEU 48 4.446 -8.499 17.702 370 HD21 LEU 48 HD21 LEU 48 1.309 -10.397 17.116 371 HD22 LEU 48 HD22 LEU 48 0.246 -9.005 16.955 372 HD23 LEU 48 HD23 LEU 48 0.848 -9.474 18.547 373 H THR 49 HN THR 49 3.406 -6.104 20.507 374 HA THR 49 HA THR 49 4.211 -8.564 21.666 375 HB THR 49 HB THR 49 5.049 -5.747 22.469 376 HG1 THR 49 HG1 THR 49 6.481 -5.837 20.830 377 HG21 THR 49 HG21 THR 49 5.814 -7.478 24.062 378 HG22 THR 49 HG22 THR 49 7.173 -6.805 23.160 379 HG23 THR 49 HG23 THR 49 6.535 -8.393 22.730 380 H GLU 50 HN GLU 50 2.530 -5.732 22.968 381 HA GLU 50 HA GLU 50 2.238 -6.547 25.657 382 HB2 GLU 50 HB2 GLU 50 0.257 -4.820 24.114 383 HB3 GLU 50 HB1 GLU 50 0.533 -4.825 25.853 384 HG2 GLU 50 HG2 GLU 50 2.397 -3.791 23.700 385 HG3 GLU 50 HG1 GLU 50 1.516 -2.852 24.890 386 H HIS 51 HN HIS 51 0.225 -7.080 22.797 387 HA HIS 51 HA HIS 51 -1.907 -8.464 24.094 388 HB2 HIS 51 HB2 HIS 51 -2.335 -7.373 22.005 389 HB3 HIS 51 HB1 HIS 51 -0.996 -8.191 21.206 390 HD1 HIS 51 HD1 HIS 51 -4.461 -8.943 22.586 391 HD2 HIS 51 HD2 HIS 51 -1.633 -10.498 19.974 392 HE1 HIS 51 HE1 HIS 51 -5.542 -10.926 21.456 393 H LYS 52 HN LYS 52 1.064 -9.489 22.512 394 HA LYS 52 HA LYS 52 0.681 -12.222 22.211 395 HB2 LYS 52 HB2 LYS 52 2.573 -11.043 21.195 396 HB3 LYS 52 HB1 LYS 52 3.228 -10.650 22.779 397 HG2 LYS 52 HG2 LYS 52 3.596 -13.097 23.188 398 HG3 LYS 52 HG1 LYS 52 3.059 -13.413 21.537 399 HD2 LYS 52 HD2 LYS 52 5.460 -11.717 22.321 400 HD3 LYS 52 HD1 LYS 52 5.536 -13.384 21.751 401 HE2 LYS 52 HE2 LYS 52 4.628 -12.695 19.569 402 HE3 LYS 52 HE1 LYS 52 4.498 -11.024 20.132 403 HZ1 LYS 52 HZ1 LYS 52 7.019 -12.579 19.868 404 HZ2 LYS 52 HZ2 LYS 52 6.902 -10.985 20.424 405 HZ3 LYS 52 HZ3 LYS 52 6.496 -11.352 18.826 406 H VAL 53 HN VAL 53 2.128 -10.478 24.978 407 HA VAL 53 HA VAL 53 2.717 -12.846 26.455 408 HB VAL 53 HB VAL 53 3.407 -11.316 28.257 409 HG11 VAL 53 HG11 VAL 53 4.349 -10.410 25.512 410 HG12 VAL 53 HG12 VAL 53 4.996 -11.768 26.436 411 HG13 VAL 53 HG13 VAL 53 5.200 -10.120 27.033 412 HG21 VAL 53 HG21 VAL 53 1.651 -9.598 28.075 413 HG22 VAL 53 HG22 VAL 53 2.300 -9.079 26.520 414 HG23 VAL 53 HG23 VAL 53 3.249 -8.854 27.991 415 H THR 54 HN THR 54 -0.056 -10.698 26.297 416 HA THR 54 HA THR 54 -1.283 -11.732 28.727 417 HB THR 54 HB THR 54 -3.195 -10.225 28.084 418 HG1 THR 54 HG1 THR 54 -1.708 -8.934 26.136 419 HG21 THR 54 HG21 THR 54 -2.020 -8.073 28.428 420 HG22 THR 54 HG22 THR 54 -0.474 -8.856 28.091 421 HG23 THR 54 HG23 THR 54 -1.404 -9.316 29.520 422 H HIS 55 HN HIS 55 -0.911 -13.154 25.773 423 HA HIS 55 HA HIS 55 -3.474 -14.108 25.134 424 HB2 HIS 55 HB2 HIS 55 -0.795 -14.612 24.183 425 HB3 HIS 55 HB1 HIS 55 -1.541 -16.176 24.463 426 HD1 HIS 55 HD1 HIS 55 -4.054 -16.377 23.241 427 HD2 HIS 55 HD2 HIS 55 -1.417 -13.518 21.789 428 HE1 HIS 55 HE1 HIS 55 -4.906 -15.730 20.956 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -8.954 23.956 4.459 2 H2 MET 1 HT2 MET 1 -7.333 23.990 4.921 3 H3 MET 1 HT3 MET 1 -8.281 25.378 5.069 4 HA MET 1 HA MET 1 -7.926 24.333 7.208 5 HB2 MET 1 HB2 MET 1 -10.079 25.569 6.615 6 HB3 MET 1 HB1 MET 1 -10.819 24.019 6.254 7 HG2 MET 1 HG2 MET 1 -10.636 23.339 8.573 8 HG3 MET 1 HG1 MET 1 -9.728 24.797 8.972 9 HE1 MET 1 HE1 MET 1 -10.796 27.257 8.953 10 HE2 MET 1 HE2 MET 1 -12.467 27.585 8.503 11 HE3 MET 1 HE3 MET 1 -11.328 27.028 7.281 12 H GLY 2 HN GLY 2 -8.589 22.450 8.618 13 HA2 GLY 2 HA2 GLY 2 -9.091 20.157 8.930 14 HA3 GLY 2 HA1 GLY 2 -8.844 19.874 7.206 15 H SER 3 HN SER 3 -7.361 18.139 7.801 16 HA SER 3 HA SER 3 -4.637 19.193 7.921 17 HB2 SER 3 HB2 SER 3 -5.250 18.636 10.294 18 HB3 SER 3 HB1 SER 3 -5.560 16.970 9.812 19 HG SER 3 HG SER 3 -3.524 16.696 10.209 20 H HIS 4 HN HIS 4 -4.561 18.600 5.733 21 HA HIS 4 HA HIS 4 -4.353 15.771 5.067 22 HB2 HIS 4 HB2 HIS 4 -3.388 18.194 3.475 23 HB3 HIS 4 HB1 HIS 4 -3.436 16.535 2.888 24 HD1 HIS 4 HD1 HIS 4 -5.386 19.582 2.987 25 HD2 HIS 4 HD2 HIS 4 -6.233 15.517 2.751 26 HE1 HIS 4 HE1 HIS 4 -7.744 19.432 2.137 27 HE2 HIS 4 HE2 HIS 4 -8.233 16.962 2.013 28 H LYS 5 HN LYS 5 -3.043 15.399 6.957 29 HA LYS 5 HA LYS 5 -0.165 16.064 6.674 30 HB2 LYS 5 HB2 LYS 5 -1.194 17.171 8.638 31 HB3 LYS 5 HB1 LYS 5 -1.854 15.639 9.190 32 HG2 LYS 5 HG2 LYS 5 0.483 14.803 9.520 33 HG3 LYS 5 HG1 LYS 5 1.083 16.399 9.071 34 HD2 LYS 5 HD2 LYS 5 -0.699 15.775 11.461 35 HD3 LYS 5 HD1 LYS 5 1.031 16.105 11.522 36 HE2 LYS 5 HE2 LYS 5 0.641 18.391 10.709 37 HE3 LYS 5 HE1 LYS 5 -1.095 18.082 10.605 38 HZ1 LYS 5 HZ1 LYS 5 -0.552 19.253 12.619 39 HZ2 LYS 5 HZ2 LYS 5 0.553 18.059 13.074 40 HZ3 LYS 5 HZ3 LYS 5 -1.097 17.701 13.009 41 H CYS 6 HN CYS 6 1.215 14.332 6.666 42 HA CYS 6 HA CYS 6 0.138 11.657 6.569 43 HB2 CYS 6 HB2 CYS 6 2.062 12.423 5.151 44 HB3 CYS 6 HB1 CYS 6 3.033 12.610 6.601 45 H ASN 7 HN ASN 7 -0.679 11.193 8.607 46 HA ASN 7 HA ASN 7 0.138 11.946 11.094 47 HB2 ASN 7 HB2 ASN 7 -1.997 10.788 10.539 48 HB3 ASN 7 HB1 ASN 7 -1.124 9.268 10.366 49 HD21 ASN 7 HD21 ASN 7 -2.317 8.241 11.989 50 HD22 ASN 7 HD22 ASN 7 -2.143 8.644 13.663 51 H VAL 8 HN VAL 8 1.362 9.108 9.331 52 HA VAL 8 HA VAL 8 2.889 7.863 11.358 53 HB VAL 8 HB VAL 8 3.487 7.850 8.351 54 HG11 VAL 8 HG11 VAL 8 4.573 5.665 8.764 55 HG12 VAL 8 HG12 VAL 8 4.252 5.823 10.494 56 HG13 VAL 8 HG13 VAL 8 5.350 6.949 9.694 57 HG21 VAL 8 HG21 VAL 8 1.153 7.196 8.798 58 HG22 VAL 8 HG22 VAL 8 1.698 5.958 9.931 59 HG23 VAL 8 HG23 VAL 8 2.095 5.821 8.215 60 H CYS 9 HN CYS 9 3.780 10.294 8.948 61 HA CYS 9 HA CYS 9 6.522 10.604 9.864 62 HB2 CYS 9 HB2 CYS 9 4.822 12.110 7.858 63 HB3 CYS 9 HB1 CYS 9 6.473 12.569 8.238 64 H SER 10 HN SER 10 3.482 12.112 10.430 65 HA SER 10 HA SER 10 2.600 13.626 11.797 66 HB2 SER 10 HB2 SER 10 5.341 13.813 13.108 67 HB3 SER 10 HB1 SER 10 3.848 14.479 13.770 68 HG SER 10 HG SER 10 3.214 12.045 13.343 69 H ARG 11 HN ARG 11 4.482 14.348 9.320 70 HA ARG 11 HA ARG 11 4.394 17.282 9.760 71 HB2 ARG 11 HB2 ARG 11 6.169 17.528 8.153 72 HB3 ARG 11 HB1 ARG 11 6.648 16.358 9.374 73 HG2 ARG 11 HG2 ARG 11 6.310 14.517 7.845 74 HG3 ARG 11 HG1 ARG 11 5.618 15.597 6.630 75 HD2 ARG 11 HD2 ARG 11 8.483 15.652 7.644 76 HD3 ARG 11 HD1 ARG 11 7.942 15.028 6.082 77 HE ARG 11 HE ARG 11 7.189 17.343 5.564 78 HH11 ARG 11 HH11 ARG 11 9.736 16.902 7.937 79 HH12 ARG 11 HH12 ARG 11 10.381 18.491 7.700 80 HH21 ARG 11 HH21 ARG 11 8.035 19.409 5.281 81 HH22 ARG 11 HH22 ARG 11 9.422 19.912 6.196 82 H THR 12 HN THR 12 4.304 18.479 7.509 83 HA THR 12 HA THR 12 1.516 17.841 6.736 84 HB THR 12 HB THR 12 1.833 19.922 8.053 85 HG1 THR 12 HG1 THR 12 1.122 21.018 5.610 86 HG21 THR 12 HG21 THR 12 3.438 20.943 5.676 87 HG22 THR 12 HG22 THR 12 4.084 20.594 7.279 88 HG23 THR 12 HG23 THR 12 2.922 21.904 7.067 89 H PHE 13 HN PHE 13 0.765 18.422 4.676 90 HA PHE 13 HA PHE 13 2.424 17.938 2.409 91 HB2 PHE 13 HB2 PHE 13 0.394 18.179 1.097 92 HB3 PHE 13 HB1 PHE 13 -0.026 17.302 2.554 93 HD1 PHE 13 HD1 PHE 13 -0.398 19.610 4.513 94 HD2 PHE 13 HD2 PHE 13 -1.621 19.199 0.441 95 HE1 PHE 13 HE1 PHE 13 -2.232 21.200 4.895 96 HE2 PHE 13 HE2 PHE 13 -3.446 20.789 0.833 97 HZ PHE 13 HZ PHE 13 -3.760 21.795 3.057 98 H PHE 14 HN PHE 14 1.784 19.475 0.424 99 HA PHE 14 HA PHE 14 2.103 22.336 1.012 100 HB2 PHE 14 HB2 PHE 14 4.364 21.621 0.420 101 HB3 PHE 14 HB1 PHE 14 3.775 20.702 -0.961 102 HD1 PHE 14 HD1 PHE 14 3.861 24.232 0.358 103 HD2 PHE 14 HD2 PHE 14 3.864 21.711 -3.105 104 HE1 PHE 14 HE1 PHE 14 4.192 26.201 -1.083 105 HE2 PHE 14 HE2 PHE 14 4.209 23.688 -4.533 106 HZ PHE 14 HZ PHE 14 4.369 25.933 -3.525 107 H SER 15 HN SER 15 1.751 19.955 -1.617 108 HA SER 15 HA SER 15 -0.733 21.251 -2.561 109 HB2 SER 15 HB2 SER 15 -0.374 19.734 -4.565 110 HB3 SER 15 HB1 SER 15 0.896 20.935 -4.334 111 HG SER 15 HG SER 15 1.771 18.895 -4.768 112 H GLU 16 HN GLU 16 -2.654 19.966 -2.697 113 HA GLU 16 HA GLU 16 -2.984 18.122 -0.552 114 HB2 GLU 16 HB2 GLU 16 -5.333 17.984 -1.226 115 HB3 GLU 16 HB1 GLU 16 -4.778 19.654 -1.259 116 HG2 GLU 16 HG2 GLU 16 -4.508 19.460 -3.755 117 HG3 GLU 16 HG1 GLU 16 -5.214 17.849 -3.661 118 H ASN 17 HN ASN 17 -2.698 17.696 -4.075 119 HA ASN 17 HA ASN 17 -3.060 14.836 -4.040 120 HB2 ASN 17 HB2 ASN 17 -3.547 16.223 -6.057 121 HB3 ASN 17 HB1 ASN 17 -1.837 16.616 -6.187 122 HD21 ASN 17 HD21 ASN 17 -4.202 14.029 -6.437 123 HD22 ASN 17 HD22 ASN 17 -3.241 12.986 -7.424 124 H GLY 18 HN GLY 18 -0.466 17.027 -3.448 125 HA2 GLY 18 HA2 GLY 18 1.805 15.406 -3.853 126 HA3 GLY 18 HA1 GLY 18 1.700 16.789 -2.782 127 H LEU 19 HN LEU 19 -0.167 15.950 -0.899 128 HA LEU 19 HA LEU 19 1.198 14.190 0.805 129 HB2 LEU 19 HB2 LEU 19 -0.694 15.927 1.273 130 HB3 LEU 19 HB1 LEU 19 -1.805 14.627 0.933 131 HG LEU 19 HG LEU 19 -1.354 15.076 3.393 132 HD11 LEU 19 HD11 LEU 19 -0.710 12.251 2.506 133 HD12 LEU 19 HD12 LEU 19 -2.321 12.939 2.729 134 HD13 LEU 19 HD13 LEU 19 -1.251 12.744 4.116 135 HD21 LEU 19 HD21 LEU 19 0.723 14.254 4.424 136 HD22 LEU 19 HD22 LEU 19 1.039 15.563 3.289 137 HD23 LEU 19 HD23 LEU 19 1.384 13.897 2.824 138 H ARG 20 HN ARG 20 -1.474 13.624 -1.448 139 HA ARG 20 HA ARG 20 -2.096 10.944 -0.883 140 HB2 ARG 20 HB2 ARG 20 -2.242 12.369 -3.583 141 HB3 ARG 20 HB1 ARG 20 -3.075 10.872 -3.177 142 HG2 ARG 20 HG2 ARG 20 -3.567 13.546 -1.835 143 HG3 ARG 20 HG1 ARG 20 -4.545 12.864 -3.128 144 HD2 ARG 20 HD2 ARG 20 -5.097 10.932 -1.684 145 HD3 ARG 20 HD1 ARG 20 -4.147 11.650 -0.375 146 HE ARG 20 HE ARG 20 -6.278 13.311 -1.464 147 HH11 ARG 20 HH11 ARG 20 -5.456 10.983 1.011 148 HH12 ARG 20 HH12 ARG 20 -6.725 11.501 2.072 149 HH21 ARG 20 HH21 ARG 20 -7.922 13.971 -0.050 150 HH22 ARG 20 HH22 ARG 20 -8.102 13.180 1.486 151 H GLU 21 HN GLU 21 0.159 12.260 -3.315 152 HA GLU 21 HA GLU 21 1.071 9.808 -4.358 153 HB2 GLU 21 HB2 GLU 21 1.270 12.030 -5.514 154 HB3 GLU 21 HB1 GLU 21 2.490 12.506 -4.336 155 HG2 GLU 21 HG2 GLU 21 3.925 10.601 -5.122 156 HG3 GLU 21 HG1 GLU 21 2.726 10.256 -6.369 157 H HIS 22 HN HIS 22 2.220 11.910 -1.764 158 HA HIS 22 HA HIS 22 4.602 10.519 -1.124 159 HB2 HIS 22 HB2 HIS 22 4.417 12.776 -0.321 160 HB3 HIS 22 HB1 HIS 22 2.877 12.457 0.475 161 HD1 HIS 22 HD1 HIS 22 6.577 11.610 0.846 162 HD2 HIS 22 HD2 HIS 22 3.055 11.578 3.053 163 HE1 HIS 22 HE1 HIS 22 7.201 10.884 3.187 164 H LEU 23 HN LEU 23 1.224 10.065 -0.128 165 HA LEU 23 HA LEU 23 1.703 8.558 2.208 166 HB2 LEU 23 HB2 LEU 23 -0.512 9.720 1.284 167 HB3 LEU 23 HB1 LEU 23 -0.825 8.123 0.629 168 HG LEU 23 HG LEU 23 -0.528 7.190 2.994 169 HD11 LEU 23 HD11 LEU 23 -0.718 8.756 4.892 170 HD12 LEU 23 HD12 LEU 23 -0.645 10.128 3.779 171 HD13 LEU 23 HD13 LEU 23 0.746 9.056 3.956 172 HD21 LEU 23 HD21 LEU 23 -2.778 7.479 2.053 173 HD22 LEU 23 HD22 LEU 23 -2.812 9.162 2.589 174 HD23 LEU 23 HD23 LEU 23 -2.774 7.855 3.776 175 H GLN 24 HN GLN 24 1.965 7.704 -1.089 176 HA GLN 24 HA GLN 24 1.477 4.916 -0.981 177 HB2 GLN 24 HB2 GLN 24 3.061 6.541 -2.989 178 HB3 GLN 24 HB1 GLN 24 2.430 4.913 -3.231 179 HG2 GLN 24 HG2 GLN 24 0.845 7.470 -2.923 180 HG3 GLN 24 HG1 GLN 24 1.003 6.464 -4.348 181 HE21 GLN 24 HE21 GLN 24 -0.081 4.426 -4.395 182 HE22 GLN 24 HE22 GLN 24 -1.457 4.132 -3.393 183 H THR 25 HN THR 25 4.140 6.813 0.100 184 HA THR 25 HA THR 25 6.199 4.820 -0.070 185 HB THR 25 HB THR 25 7.464 6.259 1.476 186 HG1 THR 25 HG1 THR 25 5.691 8.307 1.685 187 HG21 THR 25 HG21 THR 25 7.449 6.953 -0.892 188 HG22 THR 25 HG22 THR 25 7.515 8.362 0.172 189 HG23 THR 25 HG23 THR 25 5.996 7.911 -0.605 190 H HIS 26 HN HIS 26 3.406 5.099 1.847 191 HA HIS 26 HA HIS 26 4.394 3.186 3.896 192 HB2 HIS 26 HB2 HIS 26 2.081 5.151 4.274 193 HB3 HIS 26 HB1 HIS 26 2.875 4.191 5.516 194 HD1 HIS 26 HD1 HIS 26 5.238 5.075 6.351 195 HD2 HIS 26 HD2 HIS 26 3.258 7.551 3.674 196 HE1 HIS 26 HE1 HIS 26 6.390 7.313 6.464 197 H ARG 27 HN ARG 27 3.549 2.239 1.430 198 HA ARG 27 HA ARG 27 0.610 1.732 1.571 199 HB2 ARG 27 HB2 ARG 27 1.456 3.083 -0.377 200 HB3 ARG 27 HB1 ARG 27 2.446 1.722 -0.871 201 HG2 ARG 27 HG2 ARG 27 0.421 1.917 -2.238 202 HG3 ARG 27 HG1 ARG 27 0.427 0.399 -1.338 203 HD2 ARG 27 HD2 ARG 27 -1.801 1.503 -1.362 204 HD3 ARG 27 HD1 ARG 27 -1.176 1.287 0.274 205 HE ARG 27 HE ARG 27 -1.072 3.870 -1.190 206 HH11 ARG 27 HH11 ARG 27 -1.677 2.104 1.791 207 HH12 ARG 27 HH12 ARG 27 -2.068 3.536 2.691 208 HH21 ARG 27 HH21 ARG 27 -1.587 5.726 0.003 209 HH22 ARG 27 HH22 ARG 27 -2.028 5.575 1.677 210 H GLY 28 HN GLY 28 3.706 0.296 1.740 211 HA2 GLY 28 HA2 GLY 28 4.408 -1.891 1.977 212 HA3 GLY 28 HA1 GLY 28 2.765 -2.453 1.671 213 HA PRO 29 HA PRO 29 5.476 -3.433 -2.164 214 HB2 PRO 29 HB2 PRO 29 3.887 -5.960 -1.712 215 HB3 PRO 29 HB1 PRO 29 5.550 -5.771 -2.297 216 HG2 PRO 29 HG2 PRO 29 5.117 -6.514 0.212 217 HG3 PRO 29 HG1 PRO 29 6.386 -5.320 -0.143 218 HD2 PRO 29 HD2 PRO 29 3.615 -4.875 0.977 219 HD3 PRO 29 HD1 PRO 29 5.155 -4.108 1.432 220 H ALA 30 HN ALA 30 4.639 -2.789 -4.018 221 HA ALA 30 HA ALA 30 1.801 -3.059 -4.723 222 HB1 ALA 30 HB1 ALA 30 3.094 -0.315 -4.401 223 HB2 ALA 30 HB2 ALA 30 1.862 -1.007 -3.347 224 HB3 ALA 30 HB3 ALA 30 1.469 -0.624 -5.023 225 H LYS 31 HN LYS 31 1.354 -2.643 -6.898 226 HA LYS 31 HA LYS 31 1.562 -2.496 -9.108 227 HB2 LYS 31 HB2 LYS 31 2.809 -0.386 -8.721 228 HB3 LYS 31 HB1 LYS 31 4.316 -1.290 -8.616 229 HG2 LYS 31 HG2 LYS 31 4.064 -1.983 -10.984 230 HG3 LYS 31 HG1 LYS 31 2.547 -1.089 -11.081 231 HD2 LYS 31 HD2 LYS 31 4.374 0.206 -12.087 232 HD3 LYS 31 HD1 LYS 31 3.747 1.025 -10.655 233 HE2 LYS 31 HE2 LYS 31 5.666 0.150 -9.334 234 HE3 LYS 31 HE1 LYS 31 6.292 -0.639 -10.782 235 HZ1 LYS 31 HZ1 LYS 31 7.373 1.477 -10.314 236 HZ2 LYS 31 HZ2 LYS 31 5.893 2.282 -10.471 237 HZ3 LYS 31 HZ3 LYS 31 6.576 1.497 -11.802 238 H HIS 32 HN HIS 32 4.759 -3.552 -7.890 239 HA HIS 32 HA HIS 32 5.152 -5.477 -9.970 240 HB2 HIS 32 HB2 HIS 32 7.233 -6.045 -8.846 241 HB3 HIS 32 HB1 HIS 32 7.052 -4.299 -8.863 242 HD1 HIS 32 HD1 HIS 32 7.266 -7.227 -6.565 243 HD2 HIS 32 HD2 HIS 32 6.729 -3.116 -6.295 244 HE1 HIS 32 HE1 HIS 32 7.604 -6.658 -4.147 245 HE2 HIS 32 HE2 HIS 32 7.504 -4.149 -4.064 246 H TYR 33 HN TYR 33 6.181 -7.722 -8.622 247 HA TYR 33 HA TYR 33 3.847 -8.976 -7.374 248 HB2 TYR 33 HB2 TYR 33 4.382 -10.868 -9.330 249 HB3 TYR 33 HB1 TYR 33 3.119 -9.649 -9.459 250 HD1 TYR 33 HD1 TYR 33 6.791 -10.054 -10.233 251 HD2 TYR 33 HD2 TYR 33 3.079 -8.290 -11.416 252 HE1 TYR 33 HE1 TYR 33 7.862 -9.113 -12.222 253 HE2 TYR 33 HE2 TYR 33 4.175 -7.372 -13.417 254 HH TYR 33 HH TYR 33 6.405 -6.765 -14.168 255 H MET 34 HN MET 34 5.232 -9.113 -5.581 256 HA MET 34 HA MET 34 7.314 -11.228 -5.711 257 HB2 MET 34 HB2 MET 34 8.141 -9.087 -4.746 258 HB3 MET 34 HB1 MET 34 6.820 -9.080 -3.582 259 HG2 MET 34 HG2 MET 34 7.723 -11.155 -2.561 260 HG3 MET 34 HG1 MET 34 9.065 -11.126 -3.704 261 HE1 MET 34 HE1 MET 34 9.811 -7.983 -3.793 262 HE2 MET 34 HE2 MET 34 11.000 -9.279 -3.657 263 HE3 MET 34 HE3 MET 34 11.036 -7.927 -2.522 264 H CYS 35 HN CYS 35 6.814 -13.129 -4.719 265 HA CYS 35 HA CYS 35 4.118 -13.590 -3.851 266 HB2 CYS 35 HB2 CYS 35 5.600 -15.185 -5.162 267 HB3 CYS 35 HB1 CYS 35 6.454 -15.505 -3.668 268 HA PRO 36 HA PRO 36 4.653 -12.159 0.411 269 HB2 PRO 36 HB2 PRO 36 2.553 -14.291 0.874 270 HB3 PRO 36 HB1 PRO 36 2.633 -12.634 1.503 271 HG2 PRO 36 HG2 PRO 36 1.059 -13.162 -0.564 272 HG3 PRO 36 HG1 PRO 36 2.051 -11.685 -0.568 273 HD2 PRO 36 HD2 PRO 36 2.464 -14.259 -2.075 274 HD3 PRO 36 HD1 PRO 36 2.790 -12.588 -2.586 275 H ILE 37 HN ILE 37 4.507 -15.769 0.065 276 HA ILE 37 HA ILE 37 6.048 -16.121 2.504 277 HB ILE 37 HB ILE 37 4.970 -18.149 0.506 278 HG12 ILE 37 HG12 ILE 37 3.788 -17.297 3.194 279 HG13 ILE 37 HG11 ILE 37 3.164 -16.810 1.622 280 HG21 ILE 37 HG21 ILE 37 5.286 -19.824 2.315 281 HG22 ILE 37 HG22 ILE 37 6.058 -18.583 3.306 282 HG23 ILE 37 HG23 ILE 37 6.807 -19.102 1.798 283 HD11 ILE 37 HD11 ILE 37 1.848 -18.597 2.591 284 HD12 ILE 37 HD12 ILE 37 3.268 -19.631 2.683 285 HD13 ILE 37 HD13 ILE 37 2.633 -19.139 1.109 286 H CYS 38 HN CYS 38 6.461 -17.054 -0.959 287 HA CYS 38 HA CYS 38 9.211 -17.898 -0.344 288 HB2 CYS 38 HB2 CYS 38 9.027 -19.467 -2.064 289 HB3 CYS 38 HB1 CYS 38 7.428 -19.463 -1.343 290 H GLY 39 HN GLY 39 7.565 -15.487 -2.241 291 HA2 GLY 39 HA2 GLY 39 8.336 -13.612 -3.210 292 HA3 GLY 39 HA1 GLY 39 9.958 -14.045 -2.696 293 H GLU 40 HN GLU 40 8.418 -16.401 -4.680 294 HA GLU 40 HA GLU 40 10.090 -16.042 -6.913 295 HB2 GLU 40 HB2 GLU 40 7.455 -17.563 -6.691 296 HB3 GLU 40 HB1 GLU 40 8.571 -17.693 -8.045 297 HG2 GLU 40 HG2 GLU 40 10.323 -18.549 -6.517 298 HG3 GLU 40 HG1 GLU 40 9.198 -18.437 -5.172 299 H ARG 41 HN ARG 41 9.957 -14.749 -8.631 300 HA ARG 41 HA ARG 41 7.778 -12.848 -8.964 301 HB2 ARG 41 HB2 ARG 41 10.112 -12.068 -9.010 302 HB3 ARG 41 HB1 ARG 41 10.489 -13.148 -10.336 303 HG2 ARG 41 HG2 ARG 41 8.381 -11.028 -10.738 304 HG3 ARG 41 HG1 ARG 41 10.072 -10.540 -10.726 305 HD2 ARG 41 HD2 ARG 41 10.552 -12.053 -12.601 306 HD3 ARG 41 HD1 ARG 41 8.883 -12.635 -12.593 307 HE ARG 41 HE ARG 41 9.098 -9.782 -12.916 308 HH11 ARG 41 HH11 ARG 41 9.210 -12.798 -14.723 309 HH12 ARG 41 HH12 ARG 41 8.682 -12.059 -16.199 310 HH21 ARG 41 HH21 ARG 41 8.382 -8.855 -14.849 311 HH22 ARG 41 HH22 ARG 41 8.230 -9.826 -16.277 312 H PHE 42 HN PHE 42 6.316 -12.888 -10.560 313 HA PHE 42 HA PHE 42 6.509 -14.865 -12.768 314 HB2 PHE 42 HB2 PHE 42 4.131 -14.091 -11.024 315 HB3 PHE 42 HB1 PHE 42 3.891 -14.755 -12.638 316 HD1 PHE 42 HD1 PHE 42 5.627 -15.520 -9.389 317 HD2 PHE 42 HD2 PHE 42 3.914 -17.102 -12.977 318 HE1 PHE 42 HE1 PHE 42 5.973 -17.811 -8.555 319 HE2 PHE 42 HE2 PHE 42 4.250 -19.385 -12.121 320 HZ PHE 42 HZ PHE 42 5.283 -19.741 -9.918 321 HA PRO 43 HA PRO 43 6.224 -11.655 -15.801 322 HB2 PRO 43 HB2 PRO 43 4.098 -12.377 -17.484 323 HB3 PRO 43 HB1 PRO 43 5.717 -13.088 -17.542 324 HG2 PRO 43 HG2 PRO 43 3.255 -14.108 -16.120 325 HG3 PRO 43 HG1 PRO 43 4.406 -15.003 -17.141 326 HD2 PRO 43 HD2 PRO 43 4.594 -15.171 -14.490 327 HD3 PRO 43 HD1 PRO 43 6.072 -15.012 -15.459 328 H SER 44 HN SER 44 3.237 -12.312 -14.069 329 HA SER 44 HA SER 44 2.502 -9.471 -14.124 330 HB2 SER 44 HB2 SER 44 0.526 -11.645 -14.958 331 HB3 SER 44 HB1 SER 44 0.168 -9.927 -14.793 332 HG SER 44 HG SER 44 1.982 -9.729 -16.416 333 H LEU 45 HN LEU 45 0.798 -8.992 -12.553 334 HA LEU 45 HA LEU 45 1.015 -10.568 -10.093 335 HB2 LEU 45 HB2 LEU 45 1.377 -8.070 -10.092 336 HB3 LEU 45 HB1 LEU 45 -0.283 -7.844 -10.613 337 HG LEU 45 HG LEU 45 -1.079 -8.828 -8.448 338 HD11 LEU 45 HD11 LEU 45 0.832 -10.274 -7.929 339 HD12 LEU 45 HD12 LEU 45 0.481 -9.188 -6.590 340 HD13 LEU 45 HD13 LEU 45 1.849 -8.857 -7.654 341 HD21 LEU 45 HD21 LEU 45 0.810 -6.474 -8.076 342 HD22 LEU 45 HD22 LEU 45 -0.551 -6.900 -7.035 343 HD23 LEU 45 HD23 LEU 45 -0.843 -6.376 -8.691 344 H LEU 46 HN LEU 46 -0.210 -12.083 -11.747 345 HA LEU 46 HA LEU 46 -3.014 -12.270 -10.971 346 HB2 LEU 46 HB2 LEU 46 -3.028 -10.935 -13.107 347 HB3 LEU 46 HB1 LEU 46 -2.131 -12.216 -13.897 348 HG LEU 46 HG LEU 46 -4.105 -13.767 -13.433 349 HD11 LEU 46 HD11 LEU 46 -5.177 -12.497 -11.616 350 HD12 LEU 46 HD12 LEU 46 -6.295 -12.764 -12.950 351 HD13 LEU 46 HD13 LEU 46 -5.545 -11.184 -12.737 352 HD21 LEU 46 HD21 LEU 46 -3.731 -12.806 -15.663 353 HD22 LEU 46 HD22 LEU 46 -4.655 -11.372 -15.213 354 HD23 LEU 46 HD23 LEU 46 -5.456 -12.940 -15.312 355 H THR 47 HN THR 47 -0.614 -13.545 -13.268 356 HA THR 47 HA THR 47 -0.919 -16.301 -12.807 357 HB THR 47 HB THR 47 1.458 -16.465 -13.678 358 HG1 THR 47 HG1 THR 47 2.543 -14.570 -14.164 359 HG21 THR 47 HG21 THR 47 -0.418 -16.339 -15.292 360 HG22 THR 47 HG22 THR 47 1.012 -15.510 -15.910 361 HG23 THR 47 HG23 THR 47 -0.334 -14.574 -15.255 362 H LEU 48 HN LEU 48 0.964 -13.847 -11.112 363 HA LEU 48 HA LEU 48 2.301 -15.413 -9.205 364 HB2 LEU 48 HB2 LEU 48 2.698 -12.974 -9.749 365 HB3 LEU 48 HB1 LEU 48 1.212 -12.569 -8.922 366 HG LEU 48 HG LEU 48 3.387 -12.087 -7.668 367 HD11 LEU 48 HD11 LEU 48 2.586 -12.740 -5.454 368 HD12 LEU 48 HD12 LEU 48 1.421 -13.847 -6.181 369 HD13 LEU 48 HD13 LEU 48 1.269 -12.111 -6.444 370 HD21 LEU 48 HD21 LEU 48 3.486 -15.095 -7.312 371 HD22 LEU 48 HD22 LEU 48 4.532 -13.913 -6.524 372 HD23 LEU 48 HD23 LEU 48 4.610 -14.125 -8.270 373 H THR 49 HN THR 49 -0.972 -14.023 -9.228 374 HA THR 49 HA THR 49 -1.717 -14.631 -6.564 375 HB THR 49 HB THR 49 -3.579 -14.264 -8.954 376 HG1 THR 49 HG1 THR 49 -3.319 -12.118 -8.727 377 HG21 THR 49 HG21 THR 49 -4.705 -15.007 -6.875 378 HG22 THR 49 HG22 THR 49 -5.164 -13.359 -7.301 379 HG23 THR 49 HG23 THR 49 -3.998 -13.642 -6.008 380 H GLU 50 HN GLU 50 -2.352 -16.247 -9.650 381 HA GLU 50 HA GLU 50 -3.801 -18.485 -8.883 382 HB2 GLU 50 HB2 GLU 50 -1.671 -18.376 -11.053 383 HB3 GLU 50 HB1 GLU 50 -2.960 -19.569 -10.937 384 HG2 GLU 50 HG2 GLU 50 -3.302 -16.608 -11.473 385 HG3 GLU 50 HG1 GLU 50 -3.427 -17.901 -12.653 386 H HIS 51 HN HIS 51 -0.256 -18.067 -9.053 387 HA HIS 51 HA HIS 51 0.441 -20.664 -8.130 388 HB2 HIS 51 HB2 HIS 51 2.198 -19.595 -9.270 389 HB3 HIS 51 HB1 HIS 51 1.887 -18.040 -8.506 390 HD1 HIS 51 HD1 HIS 51 3.298 -21.456 -7.518 391 HD2 HIS 51 HD2 HIS 51 3.592 -17.437 -6.536 392 HE1 HIS 51 HE1 HIS 51 5.032 -21.295 -5.690 393 H LYS 52 HN LYS 52 -0.235 -17.628 -6.513 394 HA LYS 52 HA LYS 52 1.106 -18.106 -4.071 395 HB2 LYS 52 HB2 LYS 52 0.420 -15.881 -5.111 396 HB3 LYS 52 HB1 LYS 52 -1.215 -16.186 -4.562 397 HG2 LYS 52 HG2 LYS 52 1.107 -16.090 -2.623 398 HG3 LYS 52 HG1 LYS 52 0.334 -14.609 -3.180 399 HD2 LYS 52 HD2 LYS 52 -0.997 -16.875 -1.650 400 HD3 LYS 52 HD1 LYS 52 -0.550 -15.293 -1.002 401 HE2 LYS 52 HE2 LYS 52 -2.134 -14.258 -2.687 402 HE3 LYS 52 HE1 LYS 52 -2.679 -15.885 -3.094 403 HZ1 LYS 52 HZ1 LYS 52 -4.128 -14.848 -1.485 404 HZ2 LYS 52 HZ2 LYS 52 -2.840 -14.620 -0.417 405 HZ3 LYS 52 HZ3 LYS 52 -3.354 -16.182 -0.797 406 H VAL 53 HN VAL 53 -2.329 -18.512 -5.020 407 HA VAL 53 HA VAL 53 -3.216 -19.292 -2.408 408 HB VAL 53 HB VAL 53 -5.350 -19.872 -3.557 409 HG11 VAL 53 HG11 VAL 53 -4.234 -17.152 -4.347 410 HG12 VAL 53 HG12 VAL 53 -5.003 -17.555 -2.814 411 HG13 VAL 53 HG13 VAL 53 -5.950 -17.576 -4.300 412 HG21 VAL 53 HG21 VAL 53 -3.925 -19.067 -6.127 413 HG22 VAL 53 HG22 VAL 53 -5.645 -19.434 -5.979 414 HG23 VAL 53 HG23 VAL 53 -4.449 -20.699 -5.709 415 H THR 54 HN THR 54 -2.093 -20.984 -5.259 416 HA THR 54 HA THR 54 -2.797 -23.629 -4.264 417 HB THR 54 HB THR 54 -1.792 -24.471 -6.394 418 HG1 THR 54 HG1 THR 54 -1.265 -21.712 -6.877 419 HG21 THR 54 HG21 THR 54 -3.705 -22.145 -6.820 420 HG22 THR 54 HG22 THR 54 -4.183 -23.785 -6.376 421 HG23 THR 54 HG23 THR 54 -3.425 -23.485 -7.939 422 H HIS 55 HN HIS 55 -0.581 -21.842 -2.961 423 HA HIS 55 HA HIS 55 1.868 -23.161 -2.990 424 HB2 HIS 55 HB2 HIS 55 0.491 -21.277 -1.177 425 HB3 HIS 55 HB1 HIS 55 1.470 -22.404 -0.259 426 HD1 HIS 55 HD1 HIS 55 3.854 -21.723 0.019 427 HD2 HIS 55 HD2 HIS 55 2.091 -19.982 -3.312 428 HE1 HIS 55 HE1 HIS 55 5.544 -20.085 -0.911 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -7.710 25.626 1.924 2 H2 MET 1 HT2 MET 1 -6.142 26.249 1.873 3 H3 MET 1 HT3 MET 1 -6.777 25.680 3.333 4 HA MET 1 HA MET 1 -6.282 24.029 0.935 5 HB2 MET 1 HB2 MET 1 -4.419 23.003 2.321 6 HB3 MET 1 HB1 MET 1 -4.130 24.661 1.831 7 HG2 MET 1 HG2 MET 1 -5.166 23.924 4.573 8 HG3 MET 1 HG1 MET 1 -3.452 24.091 4.194 9 HE1 MET 1 HE1 MET 1 -3.393 26.593 2.179 10 HE2 MET 1 HE2 MET 1 -2.289 26.421 3.543 11 HE3 MET 1 HE3 MET 1 -3.182 27.925 3.315 12 H GLY 2 HN GLY 2 -6.577 21.764 1.278 13 HA2 GLY 2 HA2 GLY 2 -8.740 21.023 3.058 14 HA3 GLY 2 HA1 GLY 2 -7.924 19.991 1.895 15 H SER 3 HN SER 3 -8.010 18.345 3.609 16 HA SER 3 HA SER 3 -6.272 18.755 5.908 17 HB2 SER 3 HB2 SER 3 -7.154 16.545 6.675 18 HB3 SER 3 HB1 SER 3 -8.419 17.735 6.424 19 HG SER 3 HG SER 3 -8.208 15.330 5.368 20 H HIS 4 HN HIS 4 -4.363 18.764 4.994 21 HA HIS 4 HA HIS 4 -3.257 16.218 4.007 22 HB2 HIS 4 HB2 HIS 4 -1.417 17.531 3.048 23 HB3 HIS 4 HB1 HIS 4 -2.966 17.968 2.379 24 HD1 HIS 4 HD1 HIS 4 0.040 19.419 3.709 25 HD2 HIS 4 HD2 HIS 4 -3.944 20.562 3.571 26 HE1 HIS 4 HE1 HIS 4 0.045 21.890 4.081 27 HE2 HIS 4 HE2 HIS 4 -2.349 22.581 3.793 28 H LYS 5 HN LYS 5 -2.817 15.221 5.868 29 HA LYS 5 HA LYS 5 -0.269 16.003 7.088 30 HB2 LYS 5 HB2 LYS 5 -1.948 16.593 8.811 31 HB3 LYS 5 HB1 LYS 5 -2.689 15.003 8.673 32 HG2 LYS 5 HG2 LYS 5 -0.472 14.009 9.460 33 HG3 LYS 5 HG1 LYS 5 0.060 15.657 9.801 34 HD2 LYS 5 HD2 LYS 5 -2.323 14.236 11.058 35 HD3 LYS 5 HD1 LYS 5 -0.767 14.536 11.838 36 HE2 LYS 5 HE2 LYS 5 -1.183 16.969 11.714 37 HE3 LYS 5 HE1 LYS 5 -2.733 16.672 10.924 38 HZ1 LYS 5 HZ1 LYS 5 -3.472 15.499 12.900 39 HZ2 LYS 5 HZ2 LYS 5 -3.023 17.083 13.261 40 HZ3 LYS 5 HZ3 LYS 5 -1.999 15.800 13.663 41 H CYS 6 HN CYS 6 1.130 14.312 6.800 42 HA CYS 6 HA CYS 6 0.178 11.581 6.485 43 HB2 CYS 6 HB2 CYS 6 2.091 12.345 5.148 44 HB3 CYS 6 HB1 CYS 6 2.974 12.768 6.609 45 H ASN 7 HN ASN 7 -0.577 10.753 8.367 46 HA ASN 7 HA ASN 7 -0.035 11.411 10.984 47 HB2 ASN 7 HB2 ASN 7 -1.918 9.973 10.254 48 HB3 ASN 7 HB1 ASN 7 -0.804 8.671 9.879 49 HD21 ASN 7 HD21 ASN 7 -2.403 10.433 12.440 50 HD22 ASN 7 HD22 ASN 7 -2.045 9.310 13.704 51 H VAL 8 HN VAL 8 1.607 8.973 9.006 52 HA VAL 8 HA VAL 8 3.066 7.650 11.019 53 HB VAL 8 HB VAL 8 3.896 7.884 8.085 54 HG11 VAL 8 HG11 VAL 8 4.432 5.691 10.122 55 HG12 VAL 8 HG12 VAL 8 5.600 6.852 9.496 56 HG13 VAL 8 HG13 VAL 8 4.900 5.646 8.418 57 HG21 VAL 8 HG21 VAL 8 1.528 7.241 8.211 58 HG22 VAL 8 HG22 VAL 8 1.912 5.917 9.313 59 HG23 VAL 8 HG23 VAL 8 2.508 5.887 7.649 60 H CYS 9 HN CYS 9 3.984 10.318 8.884 61 HA CYS 9 HA CYS 9 6.695 10.576 9.927 62 HB2 CYS 9 HB2 CYS 9 5.090 12.238 7.963 63 HB3 CYS 9 HB1 CYS 9 6.729 12.631 8.442 64 H SER 10 HN SER 10 3.580 12.018 10.406 65 HA SER 10 HA SER 10 2.649 13.503 11.813 66 HB2 SER 10 HB2 SER 10 5.405 13.854 13.079 67 HB3 SER 10 HB1 SER 10 3.892 14.495 13.726 68 HG SER 10 HG SER 10 4.702 11.804 13.469 69 H ARG 11 HN ARG 11 4.451 14.074 9.310 70 HA ARG 11 HA ARG 11 4.334 17.038 9.395 71 HB2 ARG 11 HB2 ARG 11 6.225 15.223 7.824 72 HB3 ARG 11 HB1 ARG 11 6.173 16.978 7.693 73 HG2 ARG 11 HG2 ARG 11 6.911 15.419 10.198 74 HG3 ARG 11 HG1 ARG 11 8.046 16.219 9.106 75 HD2 ARG 11 HD2 ARG 11 7.045 18.398 9.662 76 HD3 ARG 11 HD1 ARG 11 5.886 17.604 10.733 77 HE ARG 11 HE ARG 11 8.459 16.855 11.555 78 HH11 ARG 11 HH11 ARG 11 6.454 19.757 11.531 79 HH12 ARG 11 HH12 ARG 11 7.303 20.490 12.857 80 HH21 ARG 11 HH21 ARG 11 9.541 17.839 13.310 81 HH22 ARG 11 HH22 ARG 11 9.034 19.406 13.861 82 H THR 12 HN THR 12 4.709 17.293 6.512 83 HA THR 12 HA THR 12 2.693 15.807 5.117 84 HB THR 12 HB THR 12 1.238 17.342 6.495 85 HG1 THR 12 HG1 THR 12 0.163 16.831 4.730 86 HG21 THR 12 HG21 THR 12 2.707 19.341 6.564 87 HG22 THR 12 HG22 THR 12 1.104 19.735 5.945 88 HG23 THR 12 HG23 THR 12 2.465 19.582 4.831 89 H PHE 13 HN PHE 13 2.191 16.876 2.927 90 HA PHE 13 HA PHE 13 4.464 18.360 1.773 91 HB2 PHE 13 HB2 PHE 13 3.410 16.300 0.571 92 HB3 PHE 13 HB1 PHE 13 1.980 17.285 0.325 93 HD1 PHE 13 HD2 PHE 13 5.624 17.042 -0.489 94 HD2 PHE 13 HD1 PHE 13 1.888 18.853 -1.501 95 HE1 PHE 13 HE2 PHE 13 6.596 17.889 -2.582 96 HE2 PHE 13 HE1 PHE 13 2.867 19.707 -3.587 97 HZ PHE 13 HZ PHE 13 5.222 19.222 -4.137 98 H PHE 14 HN PHE 14 4.005 20.509 0.852 99 HA PHE 14 HA PHE 14 1.938 21.933 2.328 100 HB2 PHE 14 HB2 PHE 14 4.027 22.944 0.355 101 HB3 PHE 14 HB1 PHE 14 2.983 23.972 1.332 102 HD1 PHE 14 HD1 PHE 14 5.835 21.597 1.446 103 HD2 PHE 14 HD2 PHE 14 3.418 24.306 3.707 104 HE1 PHE 14 HE1 PHE 14 7.455 21.501 3.295 105 HE2 PHE 14 HE2 PHE 14 5.057 24.223 5.543 106 HZ PHE 14 HZ PHE 14 7.069 22.823 5.345 107 H SER 15 HN SER 15 1.405 20.070 -0.114 108 HA SER 15 HA SER 15 -0.987 21.523 -0.896 109 HB2 SER 15 HB2 SER 15 0.847 20.204 -2.956 110 HB3 SER 15 HB1 SER 15 -0.740 20.895 -3.284 111 HG SER 15 HG SER 15 0.406 22.865 -2.218 112 H GLU 16 HN GLU 16 -2.695 20.059 -1.473 113 HA GLU 16 HA GLU 16 -2.733 17.858 0.321 114 HB2 GLU 16 HB2 GLU 16 -4.836 18.800 -1.673 115 HB3 GLU 16 HB1 GLU 16 -5.112 17.547 -0.471 116 HG2 GLU 16 HG2 GLU 16 -6.072 19.579 0.345 117 HG3 GLU 16 HG1 GLU 16 -4.667 19.202 1.334 118 H ASN 17 HN ASN 17 -2.832 17.996 -3.257 119 HA ASN 17 HA ASN 17 -3.335 15.186 -3.601 120 HB2 ASN 17 HB2 ASN 17 -4.024 16.904 -5.272 121 HB3 ASN 17 HB1 ASN 17 -2.335 17.259 -5.606 122 HD21 ASN 17 HD21 ASN 17 -1.114 15.749 -6.832 123 HD22 ASN 17 HD22 ASN 17 -1.867 14.513 -7.776 124 H GLY 18 HN GLY 18 -0.521 17.201 -3.320 125 HA2 GLY 18 HA2 GLY 18 1.471 15.342 -4.223 126 HA3 GLY 18 HA1 GLY 18 1.751 16.802 -3.287 127 H LEU 19 HN LEU 19 0.134 16.193 -1.029 128 HA LEU 19 HA LEU 19 1.709 14.484 0.559 129 HB2 LEU 19 HB2 LEU 19 0.273 16.375 1.327 130 HB3 LEU 19 HB1 LEU 19 -1.146 15.428 0.999 131 HG LEU 19 HG LEU 19 -0.275 15.664 3.475 132 HD11 LEU 19 HD11 LEU 19 -1.116 13.438 4.115 133 HD12 LEU 19 HD12 LEU 19 -1.098 12.949 2.420 134 HD13 LEU 19 HD13 LEU 19 -2.162 14.254 2.952 135 HD21 LEU 19 HD21 LEU 19 1.535 13.394 2.582 136 HD22 LEU 19 HD22 LEU 19 1.310 13.985 4.230 137 HD23 LEU 19 HD23 LEU 19 2.068 15.021 3.025 138 H ARG 20 HN ARG 20 -1.410 13.987 -1.033 139 HA ARG 20 HA ARG 20 -1.890 11.321 -0.360 140 HB2 ARG 20 HB2 ARG 20 -2.553 12.685 -2.998 141 HB3 ARG 20 HB1 ARG 20 -3.281 11.194 -2.406 142 HG2 ARG 20 HG2 ARG 20 -3.531 13.921 -1.099 143 HG3 ARG 20 HG1 ARG 20 -4.756 13.130 -2.084 144 HD2 ARG 20 HD2 ARG 20 -3.691 12.118 0.578 145 HD3 ARG 20 HD1 ARG 20 -5.240 12.922 0.325 146 HE ARG 20 HE ARG 20 -5.336 10.771 -1.351 147 HH11 ARG 20 HH11 ARG 20 -4.775 11.102 2.108 148 HH12 ARG 20 HH12 ARG 20 -5.475 9.563 2.480 149 HH21 ARG 20 HH21 ARG 20 -6.251 8.765 -0.835 150 HH22 ARG 20 HH22 ARG 20 -6.322 8.238 0.817 151 H GLU 21 HN GLU 21 0.172 12.640 -2.936 152 HA GLU 21 HA GLU 21 0.913 10.162 -4.099 153 HB2 GLU 21 HB2 GLU 21 1.310 12.881 -4.716 154 HB3 GLU 21 HB1 GLU 21 2.929 12.300 -4.394 155 HG2 GLU 21 HG2 GLU 21 2.584 12.102 -6.728 156 HG3 GLU 21 HG1 GLU 21 2.517 10.462 -6.073 157 H HIS 22 HN HIS 22 2.288 12.176 -1.571 158 HA HIS 22 HA HIS 22 4.696 10.802 -1.072 159 HB2 HIS 22 HB2 HIS 22 4.474 13.030 -0.204 160 HB3 HIS 22 HB1 HIS 22 2.957 12.658 0.599 161 HD1 HIS 22 HD1 HIS 22 6.687 12.184 1.012 162 HD2 HIS 22 HD2 HIS 22 3.156 11.622 3.116 163 HE1 HIS 22 HE1 HIS 22 7.353 11.522 3.367 164 H LEU 23 HN LEU 23 1.416 10.382 0.118 165 HA LEU 23 HA LEU 23 1.763 8.673 2.263 166 HB2 LEU 23 HB2 LEU 23 -0.251 9.909 1.795 167 HB3 LEU 23 HB1 LEU 23 -0.499 9.061 0.286 168 HG LEU 23 HG LEU 23 -0.587 7.474 2.858 169 HD11 LEU 23 HD11 LEU 23 -2.899 9.152 1.823 170 HD12 LEU 23 HD12 LEU 23 -2.007 9.429 3.322 171 HD13 LEU 23 HD13 LEU 23 -2.982 7.971 3.136 172 HD21 LEU 23 HD21 LEU 23 -0.744 6.260 0.725 173 HD22 LEU 23 HD22 LEU 23 -2.120 7.253 0.242 174 HD23 LEU 23 HD23 LEU 23 -2.260 6.149 1.616 175 H GLN 24 HN GLN 24 1.884 7.995 -1.157 176 HA GLN 24 HA GLN 24 1.336 5.237 -1.165 177 HB2 GLN 24 HB2 GLN 24 2.923 6.910 -3.127 178 HB3 GLN 24 HB1 GLN 24 2.330 5.282 -3.437 179 HG2 GLN 24 HG2 GLN 24 0.551 7.654 -2.813 180 HG3 GLN 24 HG1 GLN 24 0.951 7.105 -4.422 181 HE21 GLN 24 HE21 GLN 24 -1.188 6.742 -4.970 182 HE22 GLN 24 HE22 GLN 24 -2.115 5.429 -4.337 183 H THR 25 HN THR 25 4.205 6.931 -0.176 184 HA THR 25 HA THR 25 6.133 4.858 -0.667 185 HB THR 25 HB THR 25 7.638 6.172 0.781 186 HG1 THR 25 HG1 THR 25 6.036 8.300 1.265 187 HG21 THR 25 HG21 THR 25 7.372 6.949 -1.549 188 HG22 THR 25 HG22 THR 25 7.646 8.311 -0.458 189 HG23 THR 25 HG23 THR 25 6.019 7.970 -1.048 190 H HIS 26 HN HIS 26 3.784 5.486 1.793 191 HA HIS 26 HA HIS 26 4.993 3.673 3.769 192 HB2 HIS 26 HB2 HIS 26 2.487 5.383 3.966 193 HB3 HIS 26 HB1 HIS 26 3.188 4.444 5.285 194 HD1 HIS 26 HD1 HIS 26 5.606 5.287 6.146 195 HD2 HIS 26 HD2 HIS 26 3.567 7.851 3.596 196 HE1 HIS 26 HE1 HIS 26 6.735 7.530 6.337 197 H ARG 27 HN ARG 27 2.930 3.510 1.179 198 HA ARG 27 HA ARG 27 1.474 1.128 2.017 199 HB2 ARG 27 HB2 ARG 27 1.850 2.272 -0.788 200 HB3 ARG 27 HB1 ARG 27 0.701 1.016 -0.324 201 HG2 ARG 27 HG2 ARG 27 0.633 3.962 0.416 202 HG3 ARG 27 HG1 ARG 27 -0.531 3.058 -0.561 203 HD2 ARG 27 HD2 ARG 27 -0.065 2.852 2.435 204 HD3 ARG 27 HD1 ARG 27 -1.516 3.425 1.607 205 HE ARG 27 HE ARG 27 -0.982 0.748 0.850 206 HH11 ARG 27 HH11 ARG 27 -2.263 2.598 3.549 207 HH12 ARG 27 HH12 ARG 27 -3.075 1.237 4.249 208 HH21 ARG 27 HH21 ARG 27 -2.024 -1.043 1.818 209 HH22 ARG 27 HH22 ARG 27 -2.939 -0.819 3.278 210 H GLY 28 HN GLY 28 4.595 1.900 1.006 211 HA2 GLY 28 HA2 GLY 28 6.364 0.293 1.114 212 HA3 GLY 28 HA1 GLY 28 5.303 -0.913 0.393 213 HA PRO 29 HA PRO 29 7.834 1.367 -2.996 214 HB2 PRO 29 HB2 PRO 29 9.252 -1.271 -3.139 215 HB3 PRO 29 HB1 PRO 29 9.915 0.363 -3.295 216 HG2 PRO 29 HG2 PRO 29 10.325 -1.084 -1.074 217 HG3 PRO 29 HG1 PRO 29 10.030 0.668 -0.971 218 HD2 PRO 29 HD2 PRO 29 8.119 -1.614 -0.454 219 HD3 PRO 29 HD1 PRO 29 8.342 -0.101 0.454 220 H ALA 30 HN ALA 30 6.539 1.275 -4.749 221 HA ALA 30 HA ALA 30 5.569 -1.231 -5.878 222 HB1 ALA 30 HB1 ALA 30 3.608 0.863 -4.848 223 HB2 ALA 30 HB2 ALA 30 3.882 -0.730 -4.141 224 HB3 ALA 30 HB3 ALA 30 3.205 -0.594 -5.763 225 H LYS 31 HN LYS 31 6.790 -0.655 -7.608 226 HA LYS 31 HA LYS 31 5.639 1.158 -9.550 227 HB2 LYS 31 HB2 LYS 31 7.165 2.636 -8.232 228 HB3 LYS 31 HB1 LYS 31 8.510 1.549 -8.574 229 HG2 LYS 31 HG2 LYS 31 8.329 2.084 -10.991 230 HG3 LYS 31 HG1 LYS 31 6.968 3.163 -10.647 231 HD2 LYS 31 HD2 LYS 31 8.418 4.601 -9.279 232 HD3 LYS 31 HD1 LYS 31 9.776 3.498 -9.518 233 HE2 LYS 31 HE2 LYS 31 9.771 3.997 -11.931 234 HE3 LYS 31 HE1 LYS 31 8.399 5.088 -11.715 235 HZ1 LYS 31 HZ1 LYS 31 9.789 6.449 -10.269 236 HZ2 LYS 31 HZ2 LYS 31 10.475 6.303 -11.806 237 HZ3 LYS 31 HZ3 LYS 31 11.096 5.408 -10.520 238 H HIS 32 HN HIS 32 5.282 -1.181 -10.103 239 HA HIS 32 HA HIS 32 7.541 -2.708 -11.115 240 HB2 HIS 32 HB2 HIS 32 5.916 -4.405 -11.750 241 HB3 HIS 32 HB1 HIS 32 5.516 -3.826 -10.141 242 HD1 HIS 32 HD1 HIS 32 3.276 -2.482 -9.892 243 HD2 HIS 32 HD2 HIS 32 3.950 -3.950 -13.720 244 HE1 HIS 32 HE1 HIS 32 1.089 -2.271 -11.086 245 HE2 HIS 32 HE2 HIS 32 1.581 -2.953 -13.457 246 H TYR 33 HN TYR 33 7.820 -3.288 -13.358 247 HA TYR 33 HA TYR 33 6.763 -1.335 -15.292 248 HB2 TYR 33 HB2 TYR 33 9.282 -1.641 -16.292 249 HB3 TYR 33 HB1 TYR 33 8.827 -0.337 -15.211 250 HD1 TYR 33 HD1 TYR 33 10.282 -3.810 -15.135 251 HD2 TYR 33 HD2 TYR 33 10.088 0.010 -13.230 252 HE1 TYR 33 HE1 TYR 33 12.042 -4.497 -13.568 253 HE2 TYR 33 HE2 TYR 33 11.851 -0.685 -11.667 254 HH TYR 33 HH TYR 33 13.760 -3.425 -12.167 255 H MET 34 HN MET 34 5.378 -2.743 -16.129 256 HA MET 34 HA MET 34 6.346 -5.318 -17.220 257 HB2 MET 34 HB2 MET 34 5.053 -5.706 -15.149 258 HB3 MET 34 HB1 MET 34 3.726 -4.727 -15.761 259 HG2 MET 34 HG2 MET 34 3.288 -6.384 -17.515 260 HG3 MET 34 HG1 MET 34 4.657 -7.349 -16.959 261 HE1 MET 34 HE1 MET 34 2.016 -5.413 -14.666 262 HE2 MET 34 HE2 MET 34 0.818 -6.690 -14.429 263 HE3 MET 34 HE3 MET 34 1.059 -5.984 -16.026 264 H CYS 35 HN CYS 35 5.983 -5.503 -19.361 265 HA CYS 35 HA CYS 35 4.200 -3.697 -20.779 266 HB2 CYS 35 HB2 CYS 35 6.299 -4.330 -21.838 267 HB3 CYS 35 HB1 CYS 35 5.916 -6.017 -21.667 268 HA PRO 36 HA PRO 36 0.488 -6.465 -20.557 269 HB2 PRO 36 HB2 PRO 36 0.061 -4.804 -23.065 270 HB3 PRO 36 HB1 PRO 36 -1.118 -5.293 -21.835 271 HG2 PRO 36 HG2 PRO 36 -0.098 -2.833 -21.799 272 HG3 PRO 36 HG1 PRO 36 -0.345 -3.720 -20.278 273 HD2 PRO 36 HD2 PRO 36 2.204 -3.122 -21.728 274 HD3 PRO 36 HD1 PRO 36 1.915 -3.323 -19.987 275 H ILE 37 HN ILE 37 2.092 -5.760 -23.738 276 HA ILE 37 HA ILE 37 1.054 -8.096 -24.977 277 HB ILE 37 HB ILE 37 3.182 -6.077 -25.790 278 HG12 ILE 37 HG12 ILE 37 0.276 -6.462 -26.669 279 HG13 ILE 37 HG11 ILE 37 0.861 -5.196 -25.598 280 HG21 ILE 37 HG21 ILE 37 2.052 -8.319 -27.513 281 HG22 ILE 37 HG22 ILE 37 3.722 -8.126 -26.970 282 HG23 ILE 37 HG23 ILE 37 3.036 -6.970 -28.113 283 HD11 ILE 37 HD11 ILE 37 2.155 -4.258 -27.450 284 HD12 ILE 37 HD12 ILE 37 0.431 -4.341 -27.809 285 HD13 ILE 37 HD13 ILE 37 1.536 -5.519 -28.519 286 H CYS 38 HN CYS 38 4.496 -7.315 -24.112 287 HA CYS 38 HA CYS 38 5.149 -10.172 -24.508 288 HB2 CYS 38 HB2 CYS 38 7.430 -8.327 -24.370 289 HB3 CYS 38 HB1 CYS 38 7.019 -9.515 -25.579 290 H GLY 39 HN GLY 39 6.039 -7.497 -22.300 291 HA2 GLY 39 HA2 GLY 39 5.620 -7.504 -20.024 292 HA3 GLY 39 HA1 GLY 39 5.585 -9.259 -20.040 293 H GLU 40 HN GLU 40 8.173 -7.484 -21.475 294 HA GLU 40 HA GLU 40 10.160 -8.528 -19.701 295 HB2 GLU 40 HB2 GLU 40 11.760 -7.138 -21.039 296 HB3 GLU 40 HB1 GLU 40 10.822 -8.281 -21.979 297 HG2 GLU 40 HG2 GLU 40 9.948 -5.397 -21.758 298 HG3 GLU 40 HG1 GLU 40 11.196 -5.873 -22.889 299 H ARG 41 HN ARG 41 11.846 -7.093 -18.738 300 HA ARG 41 HA ARG 41 10.588 -4.899 -17.196 301 HB2 ARG 41 HB2 ARG 41 12.782 -6.826 -16.274 302 HB3 ARG 41 HB1 ARG 41 12.069 -5.542 -15.313 303 HG2 ARG 41 HG2 ARG 41 10.996 -7.447 -14.483 304 HG3 ARG 41 HG1 ARG 41 9.824 -6.823 -15.645 305 HD2 ARG 41 HD2 ARG 41 10.845 -8.460 -17.336 306 HD3 ARG 41 HD1 ARG 41 11.700 -9.180 -15.970 307 HE ARG 41 HE ARG 41 9.009 -9.065 -15.279 308 HH11 ARG 41 HH11 ARG 41 11.004 -10.769 -17.606 309 HH12 ARG 41 HH12 ARG 41 9.853 -12.045 -17.838 310 HH21 ARG 41 HH21 ARG 41 7.498 -10.728 -15.603 311 HH22 ARG 41 HH22 ARG 41 7.862 -12.026 -16.695 312 H PHE 42 HN PHE 42 11.689 -3.006 -17.064 313 HA PHE 42 HA PHE 42 14.414 -2.777 -18.220 314 HB2 PHE 42 HB2 PHE 42 12.005 -0.935 -18.550 315 HB3 PHE 42 HB1 PHE 42 13.647 -0.444 -18.951 316 HD1 PHE 42 HD2 PHE 42 14.904 -1.634 -20.784 317 HD2 PHE 42 HD1 PHE 42 10.749 -2.343 -20.073 318 HE1 PHE 42 HE2 PHE 42 14.689 -2.654 -23.016 319 HE2 PHE 42 HE1 PHE 42 10.550 -3.360 -22.294 320 HZ PHE 42 HZ PHE 42 12.509 -3.516 -23.773 321 HA PRO 43 HA PRO 43 16.089 -0.926 -14.558 322 HB2 PRO 43 HB2 PRO 43 16.797 1.718 -15.391 323 HB3 PRO 43 HB1 PRO 43 17.809 0.267 -15.454 324 HG2 PRO 43 HG2 PRO 43 16.080 1.471 -17.608 325 HG3 PRO 43 HG1 PRO 43 17.703 0.753 -17.739 326 HD2 PRO 43 HD2 PRO 43 15.578 -0.626 -18.538 327 HD3 PRO 43 HD1 PRO 43 16.843 -1.460 -17.606 328 H SER 44 HN SER 44 13.635 1.081 -16.147 329 HA SER 44 HA SER 44 12.289 1.441 -13.613 330 HB2 SER 44 HB2 SER 44 13.923 3.407 -13.762 331 HB3 SER 44 HB1 SER 44 12.996 3.979 -15.143 332 HG SER 44 HG SER 44 12.505 4.348 -12.568 333 H LEU 45 HN LEU 45 10.356 3.073 -14.098 334 HA LEU 45 HA LEU 45 8.730 1.693 -16.098 335 HB2 LEU 45 HB2 LEU 45 8.033 1.938 -13.698 336 HB3 LEU 45 HB1 LEU 45 7.975 3.678 -13.899 337 HG LEU 45 HG LEU 45 6.061 3.456 -15.466 338 HD11 LEU 45 HD11 LEU 45 4.965 1.283 -15.830 339 HD12 LEU 45 HD12 LEU 45 6.287 0.475 -14.987 340 HD13 LEU 45 HD13 LEU 45 6.591 1.317 -16.509 341 HD21 LEU 45 HD21 LEU 45 5.628 1.927 -12.874 342 HD22 LEU 45 HD22 LEU 45 4.362 2.658 -13.862 343 HD23 LEU 45 HD23 LEU 45 5.556 3.684 -13.069 344 H LEU 46 HN LEU 46 10.639 3.362 -17.251 345 HA LEU 46 HA LEU 46 9.158 5.622 -18.392 346 HB2 LEU 46 HB2 LEU 46 12.014 5.757 -17.302 347 HB3 LEU 46 HB1 LEU 46 11.385 6.914 -18.451 348 HG LEU 46 HG LEU 46 11.309 8.006 -16.351 349 HD11 LEU 46 HD11 LEU 46 8.948 8.456 -15.955 350 HD12 LEU 46 HD12 LEU 46 8.490 7.018 -16.867 351 HD13 LEU 46 HD13 LEU 46 9.289 8.368 -17.681 352 HD21 LEU 46 HD21 LEU 46 11.603 6.075 -14.874 353 HD22 LEU 46 HD22 LEU 46 9.924 5.606 -15.128 354 HD23 LEU 46 HD23 LEU 46 10.300 7.119 -14.301 355 H THR 47 HN THR 47 12.219 3.817 -18.475 356 HA THR 47 HA THR 47 12.537 3.652 -21.267 357 HB THR 47 HB THR 47 13.995 1.590 -20.648 358 HG1 THR 47 HG1 THR 47 14.269 1.202 -18.481 359 HG21 THR 47 HG21 THR 47 14.580 4.227 -19.228 360 HG22 THR 47 HG22 THR 47 14.973 3.864 -20.910 361 HG23 THR 47 HG23 THR 47 15.758 2.968 -19.612 362 H LEU 48 HN LEU 48 10.656 1.682 -19.013 363 HA LEU 48 HA LEU 48 9.828 -0.370 -20.781 364 HB2 LEU 48 HB2 LEU 48 9.664 -0.424 -18.298 365 HB3 LEU 48 HB1 LEU 48 8.428 0.809 -18.350 366 HG LEU 48 HG LEU 48 7.703 -1.632 -17.911 367 HD11 LEU 48 HD11 LEU 48 6.062 0.107 -18.367 368 HD12 LEU 48 HD12 LEU 48 5.579 -1.420 -19.099 369 HD13 LEU 48 HD13 LEU 48 6.254 -0.136 -20.107 370 HD21 LEU 48 HD21 LEU 48 7.304 -3.081 -19.845 371 HD22 LEU 48 HD22 LEU 48 9.023 -2.724 -19.664 372 HD23 LEU 48 HD23 LEU 48 8.078 -1.901 -20.908 373 H THR 49 HN THR 49 8.646 2.894 -20.204 374 HA THR 49 HA THR 49 6.265 2.752 -21.777 375 HB THR 49 HB THR 49 7.881 5.195 -20.932 376 HG1 THR 49 HG1 THR 49 6.974 4.975 -19.008 377 HG21 THR 49 HG21 THR 49 4.939 4.961 -21.697 378 HG22 THR 49 HG22 THR 49 6.195 5.734 -22.667 379 HG23 THR 49 HG23 THR 49 5.740 6.423 -21.109 380 H GLU 50 HN GLU 50 9.581 3.823 -22.393 381 HA GLU 50 HA GLU 50 9.374 4.632 -25.068 382 HB2 GLU 50 HB2 GLU 50 11.739 3.209 -23.784 383 HB3 GLU 50 HB1 GLU 50 11.790 4.215 -25.231 384 HG2 GLU 50 HG2 GLU 50 11.234 5.111 -22.392 385 HG3 GLU 50 HG1 GLU 50 12.668 5.446 -23.348 386 H HIS 51 HN HIS 51 9.711 1.397 -23.691 387 HA HIS 51 HA HIS 51 9.873 -0.028 -26.160 388 HB2 HIS 51 HB2 HIS 51 10.679 -1.147 -24.208 389 HB3 HIS 51 HB1 HIS 51 9.185 -0.859 -23.322 390 HD1 HIS 51 HD1 HIS 51 10.429 -2.934 -26.281 391 HD2 HIS 51 HD2 HIS 51 7.392 -2.858 -23.455 392 HE1 HIS 51 HE1 HIS 51 9.035 -5.002 -26.681 393 H LYS 52 HN LYS 52 7.213 1.143 -24.220 394 HA LYS 52 HA LYS 52 5.153 -0.550 -25.077 395 HB2 LYS 52 HB2 LYS 52 5.104 0.964 -23.079 396 HB3 LYS 52 HB1 LYS 52 4.908 2.340 -24.155 397 HG2 LYS 52 HG2 LYS 52 2.741 1.366 -24.947 398 HG3 LYS 52 HG1 LYS 52 2.938 0.053 -23.780 399 HD2 LYS 52 HD2 LYS 52 2.661 3.020 -23.125 400 HD3 LYS 52 HD1 LYS 52 1.421 1.784 -22.907 401 HE2 LYS 52 HE2 LYS 52 2.831 0.660 -21.221 402 HE3 LYS 52 HE1 LYS 52 4.087 1.880 -21.441 403 HZ1 LYS 52 HZ1 LYS 52 1.334 2.386 -20.457 404 HZ2 LYS 52 HZ2 LYS 52 2.534 3.559 -20.648 405 HZ3 LYS 52 HZ3 LYS 52 2.725 2.333 -19.501 406 H VAL 53 HN VAL 53 6.352 2.500 -26.462 407 HA VAL 53 HA VAL 53 4.250 2.701 -28.429 408 HB VAL 53 HB VAL 53 5.478 4.660 -29.250 409 HG11 VAL 53 HG11 VAL 53 5.330 4.617 -26.207 410 HG12 VAL 53 HG12 VAL 53 3.999 4.971 -27.310 411 HG13 VAL 53 HG13 VAL 53 5.373 6.071 -27.212 412 HG21 VAL 53 HG21 VAL 53 7.803 3.878 -29.010 413 HG22 VAL 53 HG22 VAL 53 7.665 3.936 -27.252 414 HG23 VAL 53 HG23 VAL 53 7.594 5.430 -28.194 415 H THR 54 HN THR 54 7.500 1.352 -28.334 416 HA THR 54 HA THR 54 7.834 1.227 -31.189 417 HB THR 54 HB THR 54 9.949 -0.099 -30.560 418 HG1 THR 54 HG1 THR 54 9.180 -0.830 -28.531 419 HG21 THR 54 HG21 THR 54 9.578 2.646 -29.309 420 HG22 THR 54 HG22 THR 54 10.031 2.329 -30.985 421 HG23 THR 54 HG23 THR 54 11.127 1.879 -29.678 422 H HIS 55 HN HIS 55 5.610 -0.535 -29.749 423 HA HIS 55 HA HIS 55 6.101 -3.125 -30.882 424 HB2 HIS 55 HB2 HIS 55 3.477 -1.760 -30.152 425 HB3 HIS 55 HB1 HIS 55 3.628 -3.443 -30.632 426 HD1 HIS 55 HD1 HIS 55 3.408 -1.450 -27.704 427 HD2 HIS 55 HD2 HIS 55 5.556 -4.856 -28.738 428 HE1 HIS 55 HE1 HIS 55 4.063 -2.563 -25.542 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -10.608 22.770 7.839 2 H2 MET 1 HT2 MET 1 -12.238 23.087 7.543 3 H3 MET 1 HT3 MET 1 -11.263 22.456 6.313 4 HA MET 1 HA MET 1 -11.976 21.100 8.839 5 HB2 MET 1 HB2 MET 1 -12.926 20.657 5.971 6 HB3 MET 1 HB1 MET 1 -13.184 19.491 7.263 7 HG2 MET 1 HG2 MET 1 -14.268 22.315 7.229 8 HG3 MET 1 HG1 MET 1 -15.181 20.855 6.828 9 HE1 MET 1 HE1 MET 1 -16.822 21.590 10.264 10 HE2 MET 1 HE2 MET 1 -17.090 21.014 8.620 11 HE3 MET 1 HE3 MET 1 -16.505 22.657 8.893 12 H GLY 2 HN GLY 2 -10.895 20.256 5.527 13 HA2 GLY 2 HA2 GLY 2 -9.393 18.029 6.113 14 HA3 GLY 2 HA1 GLY 2 -9.174 19.059 4.708 15 H SER 3 HN SER 3 -8.067 18.368 7.942 16 HA SER 3 HA SER 3 -5.666 20.000 7.652 17 HB2 SER 3 HB2 SER 3 -6.579 18.226 9.965 18 HB3 SER 3 HB1 SER 3 -5.252 19.388 9.989 19 HG SER 3 HG SER 3 -7.827 20.270 9.298 20 H HIS 4 HN HIS 4 -4.626 19.012 6.156 21 HA HIS 4 HA HIS 4 -4.158 16.116 6.037 22 HB2 HIS 4 HB2 HIS 4 -3.239 18.311 4.126 23 HB3 HIS 4 HB1 HIS 4 -3.040 16.582 3.863 24 HD1 HIS 4 HD1 HIS 4 -5.028 15.319 2.906 25 HD2 HIS 4 HD2 HIS 4 -5.943 19.241 3.907 26 HE1 HIS 4 HE1 HIS 4 -7.313 15.732 1.972 27 HE2 HIS 4 HE2 HIS 4 -7.757 18.164 2.425 28 H LYS 5 HN LYS 5 -3.088 16.485 8.211 29 HA LYS 5 HA LYS 5 -0.159 16.719 7.871 30 HB2 LYS 5 HB2 LYS 5 -1.055 17.873 9.866 31 HB3 LYS 5 HB1 LYS 5 -1.835 16.389 10.409 32 HG2 LYS 5 HG2 LYS 5 0.337 15.327 10.781 33 HG3 LYS 5 HG1 LYS 5 1.171 16.725 10.096 34 HD2 LYS 5 HD2 LYS 5 0.242 18.125 11.970 35 HD3 LYS 5 HD1 LYS 5 -0.430 16.654 12.684 36 HE2 LYS 5 HE2 LYS 5 1.821 15.726 12.970 37 HE3 LYS 5 HE1 LYS 5 2.528 17.102 12.124 38 HZ1 LYS 5 HZ1 LYS 5 1.744 18.541 13.897 39 HZ2 LYS 5 HZ2 LYS 5 2.772 17.338 14.494 40 HZ3 LYS 5 HZ3 LYS 5 1.104 17.210 14.720 41 H CYS 6 HN CYS 6 0.967 14.849 7.597 42 HA CYS 6 HA CYS 6 -0.523 12.375 7.415 43 HB2 CYS 6 HB2 CYS 6 1.042 12.926 5.630 44 HB3 CYS 6 HB1 CYS 6 2.364 13.060 6.785 45 H ASN 7 HN ASN 7 -0.980 11.799 9.530 46 HA ASN 7 HA ASN 7 0.560 12.156 11.793 47 HB2 ASN 7 HB2 ASN 7 -0.987 10.641 12.953 48 HB3 ASN 7 HB1 ASN 7 -1.860 11.710 11.864 49 HD21 ASN 7 HD21 ASN 7 -2.625 9.095 12.992 50 HD22 ASN 7 HD22 ASN 7 -2.998 8.090 11.640 51 H VAL 8 HN VAL 8 0.726 9.463 9.563 52 HA VAL 8 HA VAL 8 1.668 7.379 11.128 53 HB VAL 8 HB VAL 8 2.441 7.958 8.220 54 HG11 VAL 8 HG11 VAL 8 2.741 5.516 7.984 55 HG12 VAL 8 HG12 VAL 8 2.439 5.298 9.710 56 HG13 VAL 8 HG13 VAL 8 3.864 6.188 9.163 57 HG21 VAL 8 HG21 VAL 8 0.060 6.400 9.295 58 HG22 VAL 8 HG22 VAL 8 0.491 6.600 7.594 59 HG23 VAL 8 HG23 VAL 8 0.010 8.002 8.547 60 H CYS 9 HN CYS 9 3.675 9.539 9.149 61 HA CYS 9 HA CYS 9 6.120 8.909 10.681 62 HB2 CYS 9 HB2 CYS 9 7.236 10.074 8.848 63 HB3 CYS 9 HB1 CYS 9 6.141 8.854 8.230 64 H SER 10 HN SER 10 3.907 11.440 9.986 65 HA SER 10 HA SER 10 3.130 13.127 11.320 66 HB2 SER 10 HB2 SER 10 5.765 13.048 12.848 67 HB3 SER 10 HB1 SER 10 4.365 14.024 13.279 68 HG SER 10 HG SER 10 3.229 11.878 13.303 69 H ARG 11 HN ARG 11 5.009 13.158 8.891 70 HA ARG 11 HA ARG 11 5.715 16.028 8.888 71 HB2 ARG 11 HB2 ARG 11 6.446 13.802 6.942 72 HB3 ARG 11 HB1 ARG 11 6.981 15.477 6.801 73 HG2 ARG 11 HG2 ARG 11 7.641 13.584 9.083 74 HG3 ARG 11 HG1 ARG 11 8.733 14.056 7.776 75 HD2 ARG 11 HD2 ARG 11 8.849 16.308 8.562 76 HD3 ARG 11 HD1 ARG 11 7.498 16.078 9.676 77 HE ARG 11 HE ARG 11 10.238 15.037 9.999 78 HH11 ARG 11 HH11 ARG 11 7.062 15.577 11.410 79 HH12 ARG 11 HH12 ARG 11 7.600 15.289 13.031 80 HH21 ARG 11 HH21 ARG 11 10.933 14.683 12.140 81 HH22 ARG 11 HH22 ARG 11 9.802 14.791 13.447 82 H THR 12 HN THR 12 5.413 17.015 6.481 83 HA THR 12 HA THR 12 2.602 16.566 5.684 84 HB THR 12 HB THR 12 2.571 18.280 7.485 85 HG1 THR 12 HG1 THR 12 0.903 18.853 6.314 86 HG21 THR 12 HG21 THR 12 3.471 20.543 7.083 87 HG22 THR 12 HG22 THR 12 4.218 19.982 5.585 88 HG23 THR 12 HG23 THR 12 4.767 19.345 7.138 89 H PHE 13 HN PHE 13 1.944 17.851 3.854 90 HA PHE 13 HA PHE 13 3.675 17.497 1.610 91 HB2 PHE 13 HB2 PHE 13 1.677 18.066 0.288 92 HB3 PHE 13 HB1 PHE 13 1.253 16.958 1.582 93 HD1 PHE 13 HD1 PHE 13 0.098 17.908 3.688 94 HD2 PHE 13 HD2 PHE 13 0.574 20.194 0.119 95 HE1 PHE 13 HE1 PHE 13 -1.668 19.446 4.423 96 HE2 PHE 13 HE2 PHE 13 -1.190 21.721 0.862 97 HZ PHE 13 HZ PHE 13 -2.325 21.352 3.017 98 H PHE 14 HN PHE 14 3.208 19.268 -0.232 99 HA PHE 14 HA PHE 14 3.967 21.974 0.709 100 HB2 PHE 14 HB2 PHE 14 4.777 20.762 -1.980 101 HB3 PHE 14 HB1 PHE 14 5.389 22.236 -1.229 102 HD1 PHE 14 HD2 PHE 14 6.768 21.993 0.935 103 HD2 PHE 14 HD1 PHE 14 5.875 18.685 -1.625 104 HE1 PHE 14 HE2 PHE 14 8.603 20.709 1.941 105 HE2 PHE 14 HE1 PHE 14 7.708 17.408 -0.607 106 HZ PHE 14 HZ PHE 14 9.081 18.420 1.172 107 H SER 15 HN SER 15 2.684 20.160 -2.092 108 HA SER 15 HA SER 15 0.333 21.959 -2.267 109 HB2 SER 15 HB2 SER 15 1.650 20.317 -4.479 110 HB3 SER 15 HB1 SER 15 0.211 21.315 -4.666 111 HG SER 15 HG SER 15 1.493 23.118 -4.094 112 H GLU 16 HN GLU 16 -1.644 20.743 -3.156 113 HA GLU 16 HA GLU 16 -2.439 19.025 -1.115 114 HB2 GLU 16 HB2 GLU 16 -4.569 18.796 -2.366 115 HB3 GLU 16 HB1 GLU 16 -4.020 20.466 -2.242 116 HG2 GLU 16 HG2 GLU 16 -3.070 20.209 -4.591 117 HG3 GLU 16 HG1 GLU 16 -3.905 18.658 -4.677 118 H ASN 17 HN ASN 17 -1.598 18.144 -4.461 119 HA ASN 17 HA ASN 17 -2.256 15.373 -4.209 120 HB2 ASN 17 HB2 ASN 17 -2.218 16.505 -6.391 121 HB3 ASN 17 HB1 ASN 17 -0.493 16.816 -6.233 122 HD21 ASN 17 HD21 ASN 17 0.949 15.197 -6.745 123 HD22 ASN 17 HD22 ASN 17 0.483 13.681 -7.426 124 H GLY 18 HN GLY 18 0.409 17.243 -3.190 125 HA2 GLY 18 HA2 GLY 18 2.559 15.435 -3.211 126 HA3 GLY 18 HA1 GLY 18 2.385 16.806 -2.127 127 H LEU 19 HN LEU 19 0.157 16.095 -0.631 128 HA LEU 19 HA LEU 19 1.226 14.256 1.262 129 HB2 LEU 19 HB2 LEU 19 -0.560 16.204 1.521 130 HB3 LEU 19 HB1 LEU 19 -1.726 14.957 1.175 131 HG LEU 19 HG LEU 19 -1.536 15.383 3.597 132 HD11 LEU 19 HD11 LEU 19 -2.164 13.110 2.931 133 HD12 LEU 19 HD12 LEU 19 -1.278 13.131 4.455 134 HD13 LEU 19 HD13 LEU 19 -0.465 12.622 2.972 135 HD21 LEU 19 HD21 LEU 19 0.489 14.843 4.875 136 HD22 LEU 19 HD22 LEU 19 0.775 16.145 3.721 137 HD23 LEU 19 HD23 LEU 19 1.361 14.513 3.375 138 H ARG 20 HN ARG 20 -1.280 14.022 -1.200 139 HA ARG 20 HA ARG 20 -2.307 11.475 -0.696 140 HB2 ARG 20 HB2 ARG 20 -2.051 12.919 -3.371 141 HB3 ARG 20 HB1 ARG 20 -3.115 11.551 -3.063 142 HG2 ARG 20 HG2 ARG 20 -3.323 14.215 -1.614 143 HG3 ARG 20 HG1 ARG 20 -4.251 13.798 -3.057 144 HD2 ARG 20 HD2 ARG 20 -4.346 12.214 -0.463 145 HD3 ARG 20 HD1 ARG 20 -5.500 13.481 -0.899 146 HE ARG 20 HE ARG 20 -5.631 11.839 -3.032 147 HH11 ARG 20 HH11 ARG 20 -5.776 11.052 0.391 148 HH12 ARG 20 HH12 ARG 20 -6.918 9.770 0.160 149 HH21 ARG 20 HH21 ARG 20 -7.094 10.158 -3.309 150 HH22 ARG 20 HH22 ARG 20 -7.685 9.283 -1.933 151 H GLU 21 HN GLU 21 0.194 12.402 -3.082 152 HA GLU 21 HA GLU 21 0.967 9.916 -4.025 153 HB2 GLU 21 HB2 GLU 21 1.656 12.058 -5.050 154 HB3 GLU 21 HB1 GLU 21 2.634 12.436 -3.637 155 HG2 GLU 21 HG2 GLU 21 4.064 10.438 -4.165 156 HG3 GLU 21 HG1 GLU 21 3.135 10.212 -5.647 157 H HIS 22 HN HIS 22 2.286 11.825 -1.385 158 HA HIS 22 HA HIS 22 4.321 10.137 -0.481 159 HB2 HIS 22 HB2 HIS 22 4.301 12.453 0.140 160 HB3 HIS 22 HB1 HIS 22 2.686 12.345 0.817 161 HD1 HIS 22 HD1 HIS 22 6.264 11.305 1.632 162 HD2 HIS 22 HD2 HIS 22 2.552 11.765 3.421 163 HE1 HIS 22 HE1 HIS 22 6.617 10.956 4.106 164 H LEU 23 HN LEU 23 0.892 10.182 0.236 165 HA LEU 23 HA LEU 23 0.921 8.398 2.468 166 HB2 LEU 23 HB2 LEU 23 -0.836 10.165 1.864 167 HB3 LEU 23 HB1 LEU 23 -1.427 9.028 0.662 168 HG LEU 23 HG LEU 23 -1.809 7.364 2.517 169 HD11 LEU 23 HD11 LEU 23 -1.826 8.185 4.860 170 HD12 LEU 23 HD12 LEU 23 -1.115 9.706 4.313 171 HD13 LEU 23 HD13 LEU 23 -0.207 8.200 4.155 172 HD21 LEU 23 HD21 LEU 23 -3.684 8.712 1.668 173 HD22 LEU 23 HD22 LEU 23 -3.278 10.014 2.788 174 HD23 LEU 23 HD23 LEU 23 -3.850 8.462 3.407 175 H GLN 24 HN GLN 24 0.698 8.002 -1.030 176 HA GLN 24 HA GLN 24 -0.296 5.286 -0.959 177 HB2 GLN 24 HB2 GLN 24 0.813 6.968 -3.253 178 HB3 GLN 24 HB1 GLN 24 0.021 5.405 -3.427 179 HG2 GLN 24 HG2 GLN 24 -2.071 6.371 -2.523 180 HG3 GLN 24 HG1 GLN 24 -1.274 7.929 -2.367 181 HE21 GLN 24 HE21 GLN 24 -3.633 7.332 -3.880 182 HE22 GLN 24 HE22 GLN 24 -3.296 7.720 -5.528 183 H THR 25 HN THR 25 2.762 6.989 -1.398 184 HA THR 25 HA THR 25 4.333 4.664 -2.075 185 HB THR 25 HB THR 25 6.246 6.284 -1.928 186 HG1 THR 25 HG1 THR 25 4.740 8.543 -1.742 187 HG21 THR 25 HG21 THR 25 5.015 6.079 -4.073 188 HG22 THR 25 HG22 THR 25 5.593 7.725 -3.818 189 HG23 THR 25 HG23 THR 25 3.891 7.338 -3.547 190 H HIS 26 HN HIS 26 3.067 5.745 0.833 191 HA HIS 26 HA HIS 26 5.142 5.445 2.683 192 HB2 HIS 26 HB2 HIS 26 2.341 5.998 2.800 193 HB3 HIS 26 HB1 HIS 26 2.608 4.665 3.910 194 HD1 HIS 26 HD1 HIS 26 5.181 5.411 5.346 195 HD2 HIS 26 HD2 HIS 26 2.331 8.197 4.198 196 HE1 HIS 26 HE1 HIS 26 5.570 7.462 6.790 197 H ARG 27 HN ARG 27 4.212 2.942 0.767 198 HA ARG 27 HA ARG 27 4.049 0.769 2.615 199 HB2 ARG 27 HB2 ARG 27 4.383 -0.683 0.670 200 HB3 ARG 27 HB1 ARG 27 3.195 0.560 0.303 201 HG2 ARG 27 HG2 ARG 27 4.702 1.743 -1.121 202 HG3 ARG 27 HG1 ARG 27 6.097 0.848 -0.512 203 HD2 ARG 27 HD2 ARG 27 3.855 -0.263 -2.240 204 HD3 ARG 27 HD1 ARG 27 5.520 0.060 -2.747 205 HE ARG 27 HE ARG 27 5.407 -1.746 -0.518 206 HH11 ARG 27 HH11 ARG 27 5.218 -1.657 -4.035 207 HH12 ARG 27 HH12 ARG 27 5.501 -3.361 -4.199 208 HH21 ARG 27 HH21 ARG 27 5.808 -3.948 -0.761 209 HH22 ARG 27 HH22 ARG 27 5.857 -4.650 -2.348 210 H GLY 28 HN GLY 28 6.698 2.662 1.316 211 HA2 GLY 28 HA2 GLY 28 8.799 0.846 2.176 212 HA3 GLY 28 HA1 GLY 28 8.986 2.470 1.538 213 HA PRO 29 HA PRO 29 9.708 2.499 6.151 214 HB2 PRO 29 HB2 PRO 29 12.314 3.143 6.267 215 HB3 PRO 29 HB1 PRO 29 11.802 1.528 5.755 216 HG2 PRO 29 HG2 PRO 29 12.727 3.842 4.075 217 HG3 PRO 29 HG1 PRO 29 13.104 2.114 3.912 218 HD2 PRO 29 HD2 PRO 29 11.125 3.487 2.459 219 HD3 PRO 29 HD1 PRO 29 11.221 1.723 2.633 220 H ALA 30 HN ALA 30 9.363 4.147 7.480 221 HA ALA 30 HA ALA 30 10.051 6.951 6.786 222 HB1 ALA 30 HB1 ALA 30 7.616 6.617 7.047 223 HB2 ALA 30 HB2 ALA 30 8.245 7.614 8.363 224 HB3 ALA 30 HB3 ALA 30 7.870 5.910 8.644 225 H LYS 31 HN LYS 31 11.892 5.073 7.714 226 HA LYS 31 HA LYS 31 12.103 4.955 10.596 227 HB2 LYS 31 HB2 LYS 31 12.532 2.999 9.126 228 HB3 LYS 31 HB1 LYS 31 13.862 3.853 8.355 229 HG2 LYS 31 HG2 LYS 31 15.121 3.827 10.487 230 HG3 LYS 31 HG1 LYS 31 13.773 2.993 11.271 231 HD2 LYS 31 HD2 LYS 31 14.059 1.093 9.657 232 HD3 LYS 31 HD1 LYS 31 15.455 1.920 8.966 233 HE2 LYS 31 HE2 LYS 31 16.174 0.176 10.516 234 HE3 LYS 31 HE1 LYS 31 16.618 1.764 11.137 235 HZ1 LYS 31 HZ1 LYS 31 14.262 0.183 12.009 236 HZ2 LYS 31 HZ2 LYS 31 14.730 1.680 12.632 237 HZ3 LYS 31 HZ3 LYS 31 15.716 0.330 12.857 238 H HIS 32 HN HIS 32 13.788 5.772 11.838 239 HA HIS 32 HA HIS 32 15.370 8.014 10.740 240 HB2 HIS 32 HB2 HIS 32 14.640 7.309 13.623 241 HB3 HIS 32 HB1 HIS 32 15.636 8.680 13.149 242 HD1 HIS 32 HD1 HIS 32 14.385 10.815 13.002 243 HD2 HIS 32 HD2 HIS 32 11.899 7.543 12.390 244 HE1 HIS 32 HE1 HIS 32 12.077 11.757 12.757 245 HE2 HIS 32 HE2 HIS 32 10.603 9.771 12.276 246 H TYR 33 HN TYR 33 17.563 7.709 10.584 247 HA TYR 33 HA TYR 33 18.377 4.939 10.734 248 HB2 TYR 33 HB2 TYR 33 19.648 7.402 9.483 249 HB3 TYR 33 HB1 TYR 33 20.396 5.804 9.430 250 HD1 TYR 33 HD1 TYR 33 17.274 7.653 8.449 251 HD2 TYR 33 HD2 TYR 33 19.711 4.210 7.789 252 HE1 TYR 33 HE1 TYR 33 15.883 7.042 6.524 253 HE2 TYR 33 HE2 TYR 33 18.325 3.608 5.859 254 HH TYR 33 HH TYR 33 16.127 3.985 4.965 255 H MET 34 HN MET 34 19.410 4.087 12.356 256 HA MET 34 HA MET 34 20.815 5.685 14.385 257 HB2 MET 34 HB2 MET 34 18.934 4.167 15.123 258 HB3 MET 34 HB1 MET 34 19.831 2.791 14.501 259 HG2 MET 34 HG2 MET 34 21.676 3.408 16.143 260 HG3 MET 34 HG1 MET 34 20.548 4.554 16.857 261 HE1 MET 34 HE1 MET 34 18.066 3.669 17.813 262 HE2 MET 34 HE2 MET 34 17.681 1.963 17.999 263 HE3 MET 34 HE3 MET 34 17.790 2.671 16.386 264 H CYS 35 HN CYS 35 22.973 5.100 14.958 265 HA CYS 35 HA CYS 35 24.622 4.285 12.811 266 HB2 CYS 35 HB2 CYS 35 25.417 5.896 14.378 267 HB3 CYS 35 HB1 CYS 35 25.183 4.817 15.715 268 HA PRO 36 HA PRO 36 24.936 -0.175 13.505 269 HB2 PRO 36 HB2 PRO 36 27.529 0.092 12.028 270 HB3 PRO 36 HB1 PRO 36 26.136 -0.937 11.667 271 HG2 PRO 36 HG2 PRO 36 26.638 1.225 10.171 272 HG3 PRO 36 HG1 PRO 36 24.967 0.799 10.601 273 HD2 PRO 36 HD2 PRO 36 26.763 2.887 11.850 274 HD3 PRO 36 HD1 PRO 36 25.058 3.013 11.363 275 H ILE 37 HN ILE 37 27.915 1.843 13.911 276 HA ILE 37 HA ILE 37 29.294 -0.273 15.260 277 HB ILE 37 HB ILE 37 30.135 2.623 14.877 278 HG12 ILE 37 HG12 ILE 37 30.743 0.217 13.079 279 HG13 ILE 37 HG11 ILE 37 29.570 1.472 12.695 280 HG21 ILE 37 HG21 ILE 37 32.445 1.742 15.106 281 HG22 ILE 37 HG22 ILE 37 31.792 0.140 15.449 282 HG23 ILE 37 HG23 ILE 37 31.490 1.473 16.564 283 HD11 ILE 37 HD11 ILE 37 32.554 1.844 12.983 284 HD12 ILE 37 HD12 ILE 37 31.396 3.127 12.630 285 HD13 ILE 37 HD13 ILE 37 31.631 1.809 11.482 286 H CYS 38 HN CYS 38 28.431 3.082 16.399 287 HA CYS 38 HA CYS 38 28.685 2.106 19.167 288 HB2 CYS 38 HB2 CYS 38 29.076 4.385 19.831 289 HB3 CYS 38 HB1 CYS 38 30.167 3.982 18.526 290 H GLY 39 HN GLY 39 26.427 4.220 17.217 291 HA2 GLY 39 HA2 GLY 39 24.326 3.297 16.771 292 HA3 GLY 39 HA1 GLY 39 24.364 2.455 18.299 293 H GLU 40 HN GLU 40 24.973 5.936 17.914 294 HA GLU 40 HA GLU 40 22.491 6.624 19.234 295 HB2 GLU 40 HB2 GLU 40 23.209 8.935 19.013 296 HB3 GLU 40 HB1 GLU 40 24.507 7.957 19.667 297 HG2 GLU 40 HG2 GLU 40 24.366 8.710 16.740 298 HG3 GLU 40 HG1 GLU 40 25.086 9.749 17.939 299 H ARG 41 HN ARG 41 20.870 8.012 18.310 300 HA ARG 41 HA ARG 41 20.055 7.009 15.687 301 HB2 ARG 41 HB2 ARG 41 18.522 8.632 17.763 302 HB3 ARG 41 HB1 ARG 41 17.825 7.899 16.319 303 HG2 ARG 41 HG2 ARG 41 18.191 5.683 17.150 304 HG3 ARG 41 HG1 ARG 41 19.194 6.271 18.474 305 HD2 ARG 41 HD2 ARG 41 17.126 7.476 19.350 306 HD3 ARG 41 HD1 ARG 41 16.205 6.598 18.127 307 HE ARG 41 HE ARG 41 16.835 4.524 19.218 308 HH11 ARG 41 HH11 ARG 41 17.331 7.421 21.136 309 HH12 ARG 41 HH12 ARG 41 17.256 6.578 22.648 310 HH21 ARG 41 HH21 ARG 41 16.745 3.427 21.208 311 HH22 ARG 41 HH22 ARG 41 16.917 4.320 22.685 312 H PHE 42 HN PHE 42 19.719 8.241 13.908 313 HA PHE 42 HA PHE 42 20.071 11.182 14.036 314 HB2 PHE 42 HB2 PHE 42 21.010 9.272 11.841 315 HB3 PHE 42 HB1 PHE 42 21.030 11.026 11.708 316 HD1 PHE 42 HD2 PHE 42 22.603 12.389 13.046 317 HD2 PHE 42 HD1 PHE 42 22.665 8.118 13.266 318 HE1 PHE 42 HE2 PHE 42 24.803 12.477 14.149 319 HE2 PHE 42 HE1 PHE 42 24.852 8.218 14.376 320 HZ PHE 42 HZ PHE 42 25.926 10.386 14.815 321 HA PRO 43 HA PRO 43 16.017 11.627 12.261 322 HB2 PRO 43 HB2 PRO 43 16.462 13.659 10.363 323 HB3 PRO 43 HB1 PRO 43 16.208 13.919 12.094 324 HG2 PRO 43 HG2 PRO 43 18.803 13.740 10.570 325 HG3 PRO 43 HG1 PRO 43 18.321 14.891 11.836 326 HD2 PRO 43 HD2 PRO 43 19.920 12.837 12.425 327 HD3 PRO 43 HD1 PRO 43 18.633 13.319 13.555 328 H SER 44 HN SER 44 18.702 11.285 9.897 329 HA SER 44 HA SER 44 17.082 9.708 8.088 330 HB2 SER 44 HB2 SER 44 18.086 12.454 7.174 331 HB3 SER 44 HB1 SER 44 17.326 11.243 6.140 332 HG SER 44 HG SER 44 16.147 13.144 7.523 333 H LEU 45 HN LEU 45 18.440 9.352 5.996 334 HA LEU 45 HA LEU 45 21.050 8.340 6.830 335 HB2 LEU 45 HB2 LEU 45 19.354 6.972 5.546 336 HB3 LEU 45 HB1 LEU 45 19.577 8.036 4.170 337 HG LEU 45 HG LEU 45 21.974 7.297 4.016 338 HD11 LEU 45 HD11 LEU 45 22.345 6.661 6.366 339 HD12 LEU 45 HD12 LEU 45 22.745 5.338 5.276 340 HD13 LEU 45 HD13 LEU 45 21.233 5.300 6.184 341 HD21 LEU 45 HD21 LEU 45 21.502 5.044 3.101 342 HD22 LEU 45 HD22 LEU 45 20.270 6.205 2.617 343 HD23 LEU 45 HD23 LEU 45 19.928 5.046 3.903 344 H LEU 46 HN LEU 46 21.492 10.865 6.985 345 HA LEU 46 HA LEU 46 23.163 11.585 4.685 346 HB2 LEU 46 HB2 LEU 46 21.258 13.558 6.041 347 HB3 LEU 46 HB1 LEU 46 22.598 14.045 5.031 348 HG LEU 46 HG LEU 46 20.654 14.323 3.712 349 HD11 LEU 46 HD11 LEU 46 22.516 13.323 2.480 350 HD12 LEU 46 HD12 LEU 46 20.958 12.854 1.809 351 HD13 LEU 46 HD13 LEU 46 21.867 11.706 2.792 352 HD21 LEU 46 HD21 LEU 46 19.059 13.011 5.028 353 HD22 LEU 46 HD22 LEU 46 19.741 11.513 4.395 354 HD23 LEU 46 HD23 LEU 46 18.925 12.641 3.311 355 H THR 47 HN THR 47 22.077 12.639 7.911 356 HA THR 47 HA THR 47 24.596 13.537 8.861 357 HB THR 47 HB THR 47 23.437 13.447 11.141 358 HG1 THR 47 HG1 THR 47 20.958 13.080 10.005 359 HG21 THR 47 HG21 THR 47 23.337 15.508 9.790 360 HG22 THR 47 HG22 THR 47 21.816 15.249 10.647 361 HG23 THR 47 HG23 THR 47 21.929 14.885 8.923 362 H LEU 48 HN LEU 48 22.880 10.450 9.081 363 HA LEU 48 HA LEU 48 24.622 9.105 10.819 364 HB2 LEU 48 HB2 LEU 48 22.358 8.322 10.211 365 HB3 LEU 48 HB1 LEU 48 22.877 8.011 8.567 366 HG LEU 48 HG LEU 48 22.584 5.999 10.211 367 HD11 LEU 48 HD11 LEU 48 25.168 6.160 8.628 368 HD12 LEU 48 HD12 LEU 48 23.584 5.719 7.987 369 HD13 LEU 48 HD13 LEU 48 24.363 4.685 9.180 370 HD21 LEU 48 HD21 LEU 48 23.799 6.851 12.125 371 HD22 LEU 48 HD22 LEU 48 25.278 7.002 11.178 372 HD23 LEU 48 HD23 LEU 48 24.610 5.411 11.520 373 H THR 49 HN THR 49 24.678 9.441 7.292 374 HA THR 49 HA THR 49 26.912 7.789 6.772 375 HB THR 49 HB THR 49 25.852 10.126 5.123 376 HG1 THR 49 HG1 THR 49 24.418 8.705 4.258 377 HG21 THR 49 HG21 THR 49 28.058 9.353 4.337 378 HG22 THR 49 HG22 THR 49 26.796 8.915 3.187 379 HG23 THR 49 HG23 THR 49 27.462 7.689 4.265 380 H GLU 50 HN GLU 50 26.605 11.289 7.304 381 HA GLU 50 HA GLU 50 29.267 12.124 6.978 382 HB2 GLU 50 HB2 GLU 50 27.098 13.193 8.825 383 HB3 GLU 50 HB1 GLU 50 28.634 14.017 8.564 384 HG2 GLU 50 HG2 GLU 50 28.100 14.315 6.190 385 HG3 GLU 50 HG1 GLU 50 26.604 13.410 6.392 386 H HIS 51 HN HIS 51 27.565 10.941 9.847 387 HA HIS 51 HA HIS 51 29.697 11.169 11.701 388 HB2 HIS 51 HB2 HIS 51 27.472 11.077 12.556 389 HB3 HIS 51 HB1 HIS 51 27.085 9.628 11.639 390 HD1 HIS 51 HD1 HIS 51 29.238 10.670 14.615 391 HD2 HIS 51 HD2 HIS 51 27.326 7.342 13.024 392 HE1 HIS 51 HE1 HIS 51 29.489 8.824 16.319 393 H LYS 52 HN LYS 52 28.584 8.557 9.632 394 HA LYS 52 HA LYS 52 29.908 6.407 10.824 395 HB2 LYS 52 HB2 LYS 52 27.973 6.234 9.268 396 HB3 LYS 52 HB1 LYS 52 29.022 6.691 7.931 397 HG2 LYS 52 HG2 LYS 52 30.361 4.627 8.295 398 HG3 LYS 52 HG1 LYS 52 29.276 4.175 9.617 399 HD2 LYS 52 HD2 LYS 52 27.378 4.062 8.051 400 HD3 LYS 52 HD1 LYS 52 28.423 4.572 6.721 401 HE2 LYS 52 HE2 LYS 52 29.784 2.523 7.031 402 HE3 LYS 52 HE1 LYS 52 28.693 2.006 8.317 403 HZ1 LYS 52 HZ1 LYS 52 26.895 1.983 6.675 404 HZ2 LYS 52 HZ2 LYS 52 28.137 0.912 6.280 405 HZ3 LYS 52 HZ3 LYS 52 27.996 2.385 5.458 406 H VAL 53 HN VAL 53 30.910 8.497 8.108 407 HA VAL 53 HA VAL 53 33.359 7.065 7.648 408 HB VAL 53 HB VAL 53 33.870 8.901 6.035 409 HG11 VAL 53 HG11 VAL 53 32.053 8.397 4.437 410 HG12 VAL 53 HG12 VAL 53 31.089 7.714 5.748 411 HG13 VAL 53 HG13 VAL 53 32.603 6.943 5.272 412 HG21 VAL 53 HG21 VAL 53 31.198 10.076 6.903 413 HG22 VAL 53 HG22 VAL 53 32.164 10.620 5.531 414 HG23 VAL 53 HG23 VAL 53 32.787 10.805 7.169 415 H THR 54 HN THR 54 32.420 9.901 9.504 416 HA THR 54 HA THR 54 35.206 10.595 10.156 417 HB THR 54 HB THR 54 34.266 12.615 11.239 418 HG1 THR 54 HG1 THR 54 31.731 12.538 10.415 419 HG21 THR 54 HG21 THR 54 33.092 12.173 8.468 420 HG22 THR 54 HG22 THR 54 34.723 12.745 8.818 421 HG23 THR 54 HG23 THR 54 33.332 13.742 9.244 422 H HIS 55 HN HIS 55 34.517 8.091 11.196 423 HA HIS 55 HA HIS 55 32.997 8.311 13.650 424 HB2 HIS 55 HB2 HIS 55 33.089 6.311 11.864 425 HB3 HIS 55 HB1 HIS 55 34.417 5.743 12.869 426 HD1 HIS 55 HD1 HIS 55 33.747 5.123 15.425 427 HD2 HIS 55 HD2 HIS 55 30.599 5.999 12.868 428 HE1 HIS 55 HE1 HIS 55 31.631 4.429 16.634 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -6.094 25.349 3.368 2 H2 MET 1 HT2 MET 1 -5.080 25.072 2.051 3 H3 MET 1 HT3 MET 1 -4.597 24.593 3.596 4 HA MET 1 HA MET 1 -6.873 23.507 2.054 5 HB2 MET 1 HB2 MET 1 -4.210 22.213 2.827 6 HB3 MET 1 HB1 MET 1 -5.526 21.405 1.984 7 HG2 MET 1 HG2 MET 1 -3.764 21.962 0.426 8 HG3 MET 1 HG1 MET 1 -5.191 22.932 0.050 9 HE1 MET 1 HE1 MET 1 -3.560 24.541 -1.478 10 HE2 MET 1 HE2 MET 1 -2.204 23.504 -1.030 11 HE3 MET 1 HE3 MET 1 -2.081 25.253 -0.835 12 H GLY 2 HN GLY 2 -8.174 21.967 3.181 13 HA2 GLY 2 HA2 GLY 2 -8.306 21.712 5.962 14 HA3 GLY 2 HA1 GLY 2 -8.871 20.506 4.814 15 H SER 3 HN SER 3 -7.824 19.478 7.165 16 HA SER 3 HA SER 3 -4.960 19.415 7.224 17 HB2 SER 3 HB2 SER 3 -6.984 17.831 8.880 18 HB3 SER 3 HB1 SER 3 -5.251 17.947 9.203 19 HG SER 3 HG SER 3 -5.477 20.035 9.744 20 H HIS 4 HN HIS 4 -4.542 18.584 5.279 21 HA HIS 4 HA HIS 4 -4.507 15.636 4.991 22 HB2 HIS 4 HB2 HIS 4 -3.575 17.832 3.090 23 HB3 HIS 4 HB1 HIS 4 -3.348 16.112 2.781 24 HD1 HIS 4 HD1 HIS 4 -6.205 18.547 3.383 25 HD2 HIS 4 HD2 HIS 4 -5.453 14.925 1.498 26 HE1 HIS 4 HE1 HIS 4 -8.323 17.955 2.214 27 HE2 HIS 4 HE2 HIS 4 -7.906 15.685 1.218 28 H LYS 5 HN LYS 5 -3.277 15.235 6.754 29 HA LYS 5 HA LYS 5 -0.394 15.932 6.697 30 HB2 LYS 5 HB2 LYS 5 -1.484 16.750 8.732 31 HB3 LYS 5 HB1 LYS 5 -2.270 15.200 8.989 32 HG2 LYS 5 HG2 LYS 5 0.035 14.198 9.363 33 HG3 LYS 5 HG1 LYS 5 0.683 15.835 9.294 34 HD2 LYS 5 HD2 LYS 5 0.387 15.140 11.629 35 HD3 LYS 5 HD1 LYS 5 -0.706 16.472 11.244 36 HE2 LYS 5 HE2 LYS 5 -2.573 14.875 10.976 37 HE3 LYS 5 HE1 LYS 5 -1.484 13.533 11.341 38 HZ1 LYS 5 HZ1 LYS 5 -1.136 14.484 13.522 39 HZ2 LYS 5 HZ2 LYS 5 -2.769 14.168 13.250 40 HZ3 LYS 5 HZ3 LYS 5 -2.197 15.752 13.161 41 H CYS 6 HN CYS 6 1.056 14.198 6.571 42 HA CYS 6 HA CYS 6 0.098 11.471 6.420 43 HB2 CYS 6 HB2 CYS 6 1.961 12.188 5.003 44 HB3 CYS 6 HB1 CYS 6 2.876 12.706 6.403 45 H ASN 7 HN ASN 7 -0.461 10.506 8.323 46 HA ASN 7 HA ASN 7 0.330 11.413 10.899 47 HB2 ASN 7 HB2 ASN 7 -1.809 10.135 10.209 48 HB3 ASN 7 HB1 ASN 7 -0.845 8.671 10.253 49 HD21 ASN 7 HD21 ASN 7 0.623 9.282 12.725 50 HD22 ASN 7 HD22 ASN 7 -0.519 9.232 14.005 51 H VAL 8 HN VAL 8 1.529 8.886 8.762 52 HA VAL 8 HA VAL 8 3.061 7.315 10.505 53 HB VAL 8 HB VAL 8 3.746 7.920 7.582 54 HG11 VAL 8 HG11 VAL 8 5.552 6.731 8.753 55 HG12 VAL 8 HG12 VAL 8 4.784 5.678 7.564 56 HG13 VAL 8 HG13 VAL 8 4.418 5.486 9.283 57 HG21 VAL 8 HG21 VAL 8 1.399 7.235 7.789 58 HG22 VAL 8 HG22 VAL 8 1.869 5.794 8.693 59 HG23 VAL 8 HG23 VAL 8 2.348 5.975 7.005 60 H CYS 9 HN CYS 9 3.991 10.177 8.646 61 HA CYS 9 HA CYS 9 6.649 10.385 9.864 62 HB2 CYS 9 HB2 CYS 9 5.148 12.188 7.930 63 HB3 CYS 9 HB1 CYS 9 6.790 12.476 8.477 64 H SER 10 HN SER 10 3.498 11.737 10.204 65 HA SER 10 HA SER 10 2.413 13.119 11.588 66 HB2 SER 10 HB2 SER 10 5.033 13.424 13.110 67 HB3 SER 10 HB1 SER 10 3.487 14.089 13.637 68 HG SER 10 HG SER 10 3.638 11.350 13.011 69 H ARG 11 HN ARG 11 4.302 13.862 9.257 70 HA ARG 11 HA ARG 11 4.241 16.814 9.542 71 HB2 ARG 11 HB2 ARG 11 5.985 15.042 7.779 72 HB3 ARG 11 HB1 ARG 11 5.959 16.800 7.688 73 HG2 ARG 11 HG2 ARG 11 6.868 15.142 10.074 74 HG3 ARG 11 HG1 ARG 11 7.902 16.026 8.946 75 HD2 ARG 11 HD2 ARG 11 6.783 18.155 9.678 76 HD3 ARG 11 HD1 ARG 11 5.920 17.232 10.917 77 HE ARG 11 HE ARG 11 8.867 17.172 10.837 78 HH11 ARG 11 HH11 ARG 11 5.972 18.088 12.579 79 HH12 ARG 11 HH12 ARG 11 6.843 18.591 13.988 80 HH21 ARG 11 HH21 ARG 11 9.986 17.851 12.689 81 HH22 ARG 11 HH22 ARG 11 9.098 18.459 14.052 82 H THR 12 HN THR 12 4.359 17.590 6.951 83 HA THR 12 HA THR 12 1.989 16.517 5.581 84 HB THR 12 HB THR 12 1.071 18.215 7.145 85 HG1 THR 12 HG1 THR 12 -0.230 18.403 5.504 86 HG21 THR 12 HG21 THR 12 1.583 20.614 6.878 87 HG22 THR 12 HG22 THR 12 2.813 20.232 5.670 88 HG23 THR 12 HG23 THR 12 3.031 19.721 7.344 89 H PHE 13 HN PHE 13 1.671 17.692 3.454 90 HA PHE 13 HA PHE 13 4.239 18.538 2.219 91 HB2 PHE 13 HB2 PHE 13 2.813 16.373 1.490 92 HB3 PHE 13 HB1 PHE 13 1.864 17.554 0.615 93 HD1 PHE 13 HD1 PHE 13 2.845 18.749 -1.336 94 HD2 PHE 13 HD2 PHE 13 5.093 15.811 0.804 95 HE1 PHE 13 HE1 PHE 13 4.427 18.581 -3.207 96 HE2 PHE 13 HE2 PHE 13 6.667 15.652 -1.079 97 HZ PHE 13 HZ PHE 13 6.334 17.028 -3.087 98 H PHE 14 HN PHE 14 4.193 20.375 0.792 99 HA PHE 14 HA PHE 14 2.578 22.548 1.462 100 HB2 PHE 14 HB2 PHE 14 4.818 22.789 0.476 101 HB3 PHE 14 HB1 PHE 14 4.274 22.060 -1.032 102 HD1 PHE 14 HD1 PHE 14 3.570 24.995 1.217 103 HD2 PHE 14 HD2 PHE 14 3.566 23.491 -2.792 104 HE1 PHE 14 HE1 PHE 14 3.004 27.237 0.367 105 HE2 PHE 14 HE2 PHE 14 3.013 25.737 -3.628 106 HZ PHE 14 HZ PHE 14 2.728 27.611 -2.051 107 H SER 15 HN SER 15 2.228 20.180 -1.146 108 HA SER 15 HA SER 15 -0.415 21.297 -1.881 109 HB2 SER 15 HB2 SER 15 -0.216 19.771 -3.892 110 HB3 SER 15 HB1 SER 15 1.019 21.027 -3.833 111 HG SER 15 HG SER 15 2.520 19.579 -3.438 112 H GLU 16 HN GLU 16 -2.241 20.018 -1.570 113 HA GLU 16 HA GLU 16 -2.003 18.007 0.505 114 HB2 GLU 16 HB2 GLU 16 -4.462 17.971 0.489 115 HB3 GLU 16 HB1 GLU 16 -3.849 19.613 0.613 116 HG2 GLU 16 HG2 GLU 16 -4.434 20.103 -1.668 117 HG3 GLU 16 HG1 GLU 16 -4.768 18.405 -2.014 118 H ASN 17 HN ASN 17 -2.426 18.035 -2.974 119 HA ASN 17 HA ASN 17 -3.221 15.260 -3.240 120 HB2 ASN 17 HB2 ASN 17 -2.201 17.272 -5.289 121 HB3 ASN 17 HB1 ASN 17 -2.705 15.636 -5.699 122 HD21 ASN 17 HD21 ASN 17 -4.301 16.434 -7.084 123 HD22 ASN 17 HD22 ASN 17 -5.759 17.158 -6.500 124 H GLY 18 HN GLY 18 -0.287 17.188 -3.356 125 HA2 GLY 18 HA2 GLY 18 1.616 15.210 -4.071 126 HA3 GLY 18 HA1 GLY 18 1.943 16.687 -3.173 127 H LEU 19 HN LEU 19 0.194 16.147 -0.969 128 HA LEU 19 HA LEU 19 1.682 14.476 0.739 129 HB2 LEU 19 HB2 LEU 19 0.134 16.397 1.349 130 HB3 LEU 19 HB1 LEU 19 -1.216 15.338 1.074 131 HG LEU 19 HG LEU 19 -0.476 15.748 3.517 132 HD11 LEU 19 HD11 LEU 19 -2.093 14.021 2.967 133 HD12 LEU 19 HD12 LEU 19 -1.036 13.504 4.274 134 HD13 LEU 19 HD13 LEU 19 -0.794 12.871 2.645 135 HD21 LEU 19 HD21 LEU 19 1.309 14.346 4.421 136 HD22 LEU 19 HD22 LEU 19 1.941 15.471 3.225 137 HD23 LEU 19 HD23 LEU 19 1.716 13.770 2.802 138 H ARG 20 HN ARG 20 -1.358 13.966 -1.002 139 HA ARG 20 HA ARG 20 -1.922 11.303 -0.219 140 HB2 ARG 20 HB2 ARG 20 -2.578 12.803 -2.799 141 HB3 ARG 20 HB1 ARG 20 -3.281 11.250 -2.357 142 HG2 ARG 20 HG2 ARG 20 -3.603 13.814 -0.762 143 HG3 ARG 20 HG1 ARG 20 -4.778 13.167 -1.902 144 HD2 ARG 20 HD2 ARG 20 -3.883 11.943 0.725 145 HD3 ARG 20 HD1 ARG 20 -5.494 12.538 0.300 146 HE ARG 20 HE ARG 20 -4.749 10.482 -1.485 147 HH11 ARG 20 HH11 ARG 20 -5.761 10.849 1.867 148 HH12 ARG 20 HH12 ARG 20 -6.381 9.232 1.958 149 HH21 ARG 20 HH21 ARG 20 -5.553 8.395 -1.319 150 HH22 ARG 20 HH22 ARG 20 -6.265 7.851 0.168 151 H GLU 21 HN GLU 21 0.162 12.558 -2.808 152 HA GLU 21 HA GLU 21 0.768 10.044 -4.001 153 HB2 GLU 21 HB2 GLU 21 0.993 12.239 -5.171 154 HB3 GLU 21 HB1 GLU 21 2.297 12.677 -4.072 155 HG2 GLU 21 HG2 GLU 21 3.673 10.822 -4.958 156 HG3 GLU 21 HG1 GLU 21 2.368 10.371 -6.056 157 H HIS 22 HN HIS 22 2.236 12.085 -1.551 158 HA HIS 22 HA HIS 22 4.541 10.556 -0.947 159 HB2 HIS 22 HB2 HIS 22 4.497 12.879 -0.305 160 HB3 HIS 22 HB1 HIS 22 2.987 12.695 0.572 161 HD1 HIS 22 HD1 HIS 22 6.683 12.010 0.914 162 HD2 HIS 22 HD2 HIS 22 3.187 11.776 3.140 163 HE1 HIS 22 HE1 HIS 22 7.375 11.422 3.277 164 H LEU 23 HN LEU 23 1.187 10.339 0.080 165 HA LEU 23 HA LEU 23 1.420 8.808 2.410 166 HB2 LEU 23 HB2 LEU 23 -0.774 9.343 0.444 167 HB3 LEU 23 HB1 LEU 23 -1.035 8.072 1.607 168 HG LEU 23 HG LEU 23 -0.448 10.971 2.271 169 HD11 LEU 23 HD11 LEU 23 -2.762 11.032 3.130 170 HD12 LEU 23 HD12 LEU 23 -3.011 9.371 2.587 171 HD13 LEU 23 HD13 LEU 23 -2.725 10.652 1.408 172 HD21 LEU 23 HD21 LEU 23 -0.883 10.360 4.618 173 HD22 LEU 23 HD22 LEU 23 0.527 9.523 3.979 174 HD23 LEU 23 HD23 LEU 23 -1.003 8.661 4.155 175 H GLN 24 HN GLN 24 1.738 7.887 -0.899 176 HA GLN 24 HA GLN 24 1.021 5.114 -0.630 177 HB2 GLN 24 HB2 GLN 24 2.402 6.554 -2.926 178 HB3 GLN 24 HB1 GLN 24 1.568 5.003 -3.000 179 HG2 GLN 24 HG2 GLN 24 -0.582 6.094 -2.553 180 HG3 GLN 24 HG1 GLN 24 0.228 7.648 -2.344 181 HE21 GLN 24 HE21 GLN 24 -0.912 8.660 -3.964 182 HE22 GLN 24 HE22 GLN 24 -0.715 8.293 -5.642 183 H THR 25 HN THR 25 3.872 6.944 -0.023 184 HA THR 25 HA THR 25 5.839 4.899 -0.516 185 HB THR 25 HB THR 25 7.419 6.394 0.606 186 HG1 THR 25 HG1 THR 25 5.919 8.500 1.238 187 HG21 THR 25 HG21 THR 25 6.794 7.026 -1.695 188 HG22 THR 25 HG22 THR 25 7.150 8.457 -0.724 189 HG23 THR 25 HG23 THR 25 5.476 8.017 -1.065 190 H HIS 26 HN HIS 26 3.442 5.195 1.825 191 HA HIS 26 HA HIS 26 4.887 3.432 3.747 192 HB2 HIS 26 HB2 HIS 26 2.519 5.240 4.397 193 HB3 HIS 26 HB1 HIS 26 3.542 4.365 5.536 194 HD1 HIS 26 HD1 HIS 26 6.163 5.279 5.565 195 HD2 HIS 26 HD2 HIS 26 3.258 7.769 3.962 196 HE1 HIS 26 HE1 HIS 26 7.131 7.605 5.586 197 H ARG 27 HN ARG 27 2.633 3.400 1.354 198 HA ARG 27 HA ARG 27 0.338 2.145 2.314 199 HB2 ARG 27 HB2 ARG 27 0.540 3.171 0.092 200 HB3 ARG 27 HB1 ARG 27 1.686 1.936 -0.406 201 HG2 ARG 27 HG2 ARG 27 -0.083 0.226 -0.299 202 HG3 ARG 27 HG1 ARG 27 -1.238 1.436 0.269 203 HD2 ARG 27 HD2 ARG 27 -1.467 0.959 -2.167 204 HD3 ARG 27 HD1 ARG 27 -1.070 2.653 -1.851 205 HE ARG 27 HE ARG 27 1.092 0.769 -2.477 206 HH11 ARG 27 HH11 ARG 27 -0.825 3.490 -3.535 207 HH12 ARG 27 HH12 ARG 27 0.233 3.884 -4.849 208 HH21 ARG 27 HH21 ARG 27 2.509 1.321 -4.170 209 HH22 ARG 27 HH22 ARG 27 2.132 2.659 -5.204 210 H GLY 28 HN GLY 28 3.390 0.738 1.236 211 HA2 GLY 28 HA2 GLY 28 3.790 -1.300 2.872 212 HA3 GLY 28 HA1 GLY 28 2.564 -2.002 1.820 213 HA PRO 29 HA PRO 29 6.572 -3.138 -0.294 214 HB2 PRO 29 HB2 PRO 29 4.699 -5.249 -1.333 215 HB3 PRO 29 HB1 PRO 29 6.345 -5.422 -0.705 216 HG2 PRO 29 HG2 PRO 29 4.242 -6.200 0.758 217 HG3 PRO 29 HG1 PRO 29 5.633 -5.400 1.525 218 HD2 PRO 29 HD2 PRO 29 2.937 -4.238 0.807 219 HD3 PRO 29 HD1 PRO 29 3.919 -3.989 2.270 220 H ALA 30 HN ALA 30 7.072 -2.559 -2.442 221 HA ALA 30 HA ALA 30 4.871 -1.280 -3.979 222 HB1 ALA 30 HB1 ALA 30 7.756 -0.373 -3.794 223 HB2 ALA 30 HB2 ALA 30 6.404 0.358 -2.933 224 HB3 ALA 30 HB3 ALA 30 6.467 0.430 -4.697 225 H LYS 31 HN LYS 31 7.181 -3.771 -4.112 226 HA LYS 31 HA LYS 31 7.560 -3.649 -7.023 227 HB2 LYS 31 HB2 LYS 31 8.626 -5.614 -4.947 228 HB3 LYS 31 HB1 LYS 31 8.904 -5.772 -6.671 229 HG2 LYS 31 HG2 LYS 31 10.888 -4.837 -5.765 230 HG3 LYS 31 HG1 LYS 31 10.064 -3.522 -6.608 231 HD2 LYS 31 HD2 LYS 31 9.230 -2.650 -4.459 232 HD3 LYS 31 HD1 LYS 31 9.993 -3.995 -3.604 233 HE2 LYS 31 HE2 LYS 31 12.219 -3.196 -4.307 234 HE3 LYS 31 HE1 LYS 31 11.467 -1.877 -5.209 235 HZ1 LYS 31 HZ1 LYS 31 12.296 -1.187 -3.034 236 HZ2 LYS 31 HZ2 LYS 31 11.233 -2.263 -2.281 237 HZ3 LYS 31 HZ3 LYS 31 10.628 -0.968 -3.180 238 H HIS 32 HN HIS 32 5.740 -4.221 -8.061 239 HA HIS 32 HA HIS 32 4.714 -6.902 -7.762 240 HB2 HIS 32 HB2 HIS 32 2.327 -6.246 -7.523 241 HB3 HIS 32 HB1 HIS 32 3.275 -5.756 -6.133 242 HD1 HIS 32 HD1 HIS 32 0.943 -4.471 -8.627 243 HD2 HIS 32 HD2 HIS 32 3.845 -2.856 -6.134 244 HE1 HIS 32 HE1 HIS 32 0.493 -2.009 -8.581 245 HE2 HIS 32 HE2 HIS 32 2.268 -1.051 -7.083 246 H TYR 33 HN TYR 33 5.211 -7.427 -9.817 247 HA TYR 33 HA TYR 33 4.863 -5.637 -12.045 248 HB2 TYR 33 HB2 TYR 33 6.620 -7.562 -11.795 249 HB3 TYR 33 HB1 TYR 33 5.325 -8.640 -12.277 250 HD1 TYR 33 HD2 TYR 33 4.141 -8.110 -14.611 251 HD2 TYR 33 HD1 TYR 33 7.929 -6.482 -13.477 252 HE1 TYR 33 HE2 TYR 33 4.669 -7.689 -16.969 253 HE2 TYR 33 HE1 TYR 33 8.436 -6.056 -15.841 254 HH TYR 33 HH TYR 33 6.095 -6.234 -18.292 255 H MET 34 HN MET 34 3.153 -5.599 -13.487 256 HA MET 34 HA MET 34 0.705 -7.067 -12.737 257 HB2 MET 34 HB2 MET 34 0.479 -4.615 -12.979 258 HB3 MET 34 HB1 MET 34 1.139 -4.686 -14.605 259 HG2 MET 34 HG2 MET 34 -0.822 -6.005 -15.351 260 HG3 MET 34 HG1 MET 34 -1.489 -5.924 -13.720 261 HE1 MET 34 HE1 MET 34 -0.952 -2.188 -16.405 262 HE2 MET 34 HE2 MET 34 -0.448 -3.808 -16.893 263 HE3 MET 34 HE3 MET 34 0.402 -2.974 -15.593 264 H CYS 35 HN CYS 35 0.376 -8.905 -13.802 265 HA CYS 35 HA CYS 35 2.104 -9.889 -15.771 266 HB2 CYS 35 HB2 CYS 35 0.686 -11.227 -14.171 267 HB3 CYS 35 HB1 CYS 35 -0.685 -10.903 -15.201 268 HA PRO 36 HA PRO 36 0.591 -7.864 -19.562 269 HB2 PRO 36 HB2 PRO 36 1.604 -10.469 -20.735 270 HB3 PRO 36 HB1 PRO 36 1.849 -8.807 -21.302 271 HG2 PRO 36 HG2 PRO 36 3.799 -10.006 -19.963 272 HG3 PRO 36 HG1 PRO 36 3.405 -8.311 -19.597 273 HD2 PRO 36 HD2 PRO 36 2.721 -10.799 -18.043 274 HD3 PRO 36 HD1 PRO 36 3.194 -9.191 -17.447 275 H ILE 37 HN ILE 37 -0.155 -11.425 -19.306 276 HA ILE 37 HA ILE 37 -2.529 -11.133 -20.939 277 HB ILE 37 HB ILE 37 -1.460 -13.525 -19.362 278 HG12 ILE 37 HG12 ILE 37 -1.197 -12.905 -22.348 279 HG13 ILE 37 HG11 ILE 37 0.095 -12.740 -21.166 280 HG21 ILE 37 HG21 ILE 37 -3.855 -13.786 -19.799 281 HG22 ILE 37 HG22 ILE 37 -2.944 -14.918 -20.792 282 HG23 ILE 37 HG23 ILE 37 -3.624 -13.452 -21.508 283 HD11 ILE 37 HD11 ILE 37 0.035 -15.161 -20.766 284 HD12 ILE 37 HD12 ILE 37 0.330 -14.769 -22.462 285 HD13 ILE 37 HD13 ILE 37 -1.263 -15.317 -21.955 286 H CYS 38 HN CYS 38 -1.961 -12.139 -17.490 287 HA CYS 38 HA CYS 38 -4.881 -12.035 -17.085 288 HB2 CYS 38 HB2 CYS 38 -4.688 -13.801 -15.544 289 HB3 CYS 38 HB1 CYS 38 -3.642 -14.237 -16.877 290 H GLY 39 HN GLY 39 -2.143 -10.282 -16.119 291 HA2 GLY 39 HA2 GLY 39 -1.854 -8.527 -14.762 292 HA3 GLY 39 HA1 GLY 39 -3.603 -8.398 -14.695 293 H GLU 40 HN GLU 40 -2.150 -11.285 -13.437 294 HA GLU 40 HA GLU 40 -2.700 -10.829 -10.717 295 HB2 GLU 40 HB2 GLU 40 -0.819 -12.817 -12.049 296 HB3 GLU 40 HB1 GLU 40 -1.280 -12.876 -10.355 297 HG2 GLU 40 HG2 GLU 40 -3.275 -13.055 -12.631 298 HG3 GLU 40 HG1 GLU 40 -2.528 -14.453 -11.868 299 H ARG 41 HN ARG 41 -1.283 -10.463 -8.942 300 HA ARG 41 HA ARG 41 0.928 -8.607 -9.509 301 HB2 ARG 41 HB2 ARG 41 -0.259 -9.329 -6.788 302 HB3 ARG 41 HB1 ARG 41 0.679 -7.895 -7.205 303 HG2 ARG 41 HG2 ARG 41 -1.166 -6.957 -8.437 304 HG3 ARG 41 HG1 ARG 41 -2.078 -8.465 -8.333 305 HD2 ARG 41 HD2 ARG 41 -2.011 -8.157 -5.783 306 HD3 ARG 41 HD1 ARG 41 -1.435 -6.520 -6.105 307 HE ARG 41 HE ARG 41 -3.530 -6.118 -7.299 308 HH11 ARG 41 HH11 ARG 41 -3.498 -8.857 -5.098 309 HH12 ARG 41 HH12 ARG 41 -5.207 -8.796 -4.795 310 HH21 ARG 41 HH21 ARG 41 -5.780 -6.046 -6.924 311 HH22 ARG 41 HH22 ARG 41 -6.503 -7.210 -5.856 312 H PHE 42 HN PHE 42 3.009 -9.358 -9.400 313 HA PHE 42 HA PHE 42 3.668 -11.551 -7.507 314 HB2 PHE 42 HB2 PHE 42 4.742 -11.064 -10.315 315 HB3 PHE 42 HB1 PHE 42 5.609 -12.054 -9.147 316 HD1 PHE 42 HD1 PHE 42 2.272 -11.780 -10.846 317 HD2 PHE 42 HD2 PHE 42 5.046 -14.337 -8.833 318 HE1 PHE 42 HE1 PHE 42 0.853 -13.725 -11.344 319 HE2 PHE 42 HE2 PHE 42 3.627 -16.274 -9.350 320 HZ PHE 42 HZ PHE 42 1.528 -15.971 -10.601 321 HA PRO 43 HA PRO 43 6.088 -8.566 -5.378 322 HB2 PRO 43 HB2 PRO 43 7.908 -10.143 -4.059 323 HB3 PRO 43 HB1 PRO 43 6.182 -10.137 -3.663 324 HG2 PRO 43 HG2 PRO 43 7.708 -12.062 -5.426 325 HG3 PRO 43 HG1 PRO 43 6.564 -12.417 -4.110 326 HD2 PRO 43 HD2 PRO 43 5.775 -12.471 -6.685 327 HD3 PRO 43 HD1 PRO 43 4.693 -11.862 -5.410 328 H SER 44 HN SER 44 7.479 -10.246 -7.971 329 HA SER 44 HA SER 44 9.535 -8.210 -8.253 330 HB2 SER 44 HB2 SER 44 11.333 -9.950 -8.687 331 HB3 SER 44 HB1 SER 44 10.804 -9.859 -7.013 332 HG SER 44 HG SER 44 10.839 -11.989 -7.494 333 H LEU 45 HN LEU 45 10.543 -8.273 -10.297 334 HA LEU 45 HA LEU 45 8.930 -9.281 -12.526 335 HB2 LEU 45 HB2 LEU 45 10.822 -7.969 -13.842 336 HB3 LEU 45 HB1 LEU 45 9.524 -7.108 -13.047 337 HG LEU 45 HG LEU 45 11.066 -6.669 -11.109 338 HD11 LEU 45 HD11 LEU 45 13.253 -7.742 -12.900 339 HD12 LEU 45 HD12 LEU 45 12.699 -8.447 -11.381 340 HD13 LEU 45 HD13 LEU 45 13.497 -6.876 -11.380 341 HD21 LEU 45 HD21 LEU 45 12.307 -4.853 -12.190 342 HD22 LEU 45 HD22 LEU 45 10.657 -4.948 -12.796 343 HD23 LEU 45 HD23 LEU 45 11.993 -5.564 -13.775 344 H LEU 46 HN LEU 46 9.857 -11.354 -11.158 345 HA LEU 46 HA LEU 46 11.990 -12.635 -12.672 346 HB2 LEU 46 HB2 LEU 46 12.141 -12.248 -9.645 347 HB3 LEU 46 HB1 LEU 46 13.168 -13.342 -10.557 348 HG LEU 46 HG LEU 46 13.164 -10.306 -10.842 349 HD11 LEU 46 HD11 LEU 46 15.205 -12.109 -9.501 350 HD12 LEU 46 HD12 LEU 46 14.114 -10.990 -8.684 351 HD13 LEU 46 HD13 LEU 46 15.370 -10.369 -9.750 352 HD21 LEU 46 HD21 LEU 46 15.166 -10.618 -12.244 353 HD22 LEU 46 HD22 LEU 46 13.768 -11.410 -12.962 354 HD23 LEU 46 HD23 LEU 46 14.995 -12.371 -12.132 355 H THR 47 HN THR 47 9.994 -12.899 -9.699 356 HA THR 47 HA THR 47 9.103 -15.543 -10.014 357 HB THR 47 HB THR 47 7.087 -14.775 -8.620 358 HG1 THR 47 HG1 THR 47 8.276 -12.366 -8.014 359 HG21 THR 47 HG21 THR 47 8.392 -14.336 -6.581 360 HG22 THR 47 HG22 THR 47 9.823 -13.994 -7.555 361 HG23 THR 47 HG23 THR 47 9.141 -15.622 -7.533 362 H LEU 48 HN LEU 48 7.817 -12.475 -11.287 363 HA LEU 48 HA LEU 48 5.568 -13.528 -12.644 364 HB2 LEU 48 HB2 LEU 48 6.026 -11.085 -12.078 365 HB3 LEU 48 HB1 LEU 48 7.174 -11.045 -13.395 366 HG LEU 48 HG LEU 48 4.894 -10.012 -13.865 367 HD11 LEU 48 HD11 LEU 48 5.688 -12.195 -15.797 368 HD12 LEU 48 HD12 LEU 48 6.354 -10.563 -15.734 369 HD13 LEU 48 HD13 LEU 48 4.660 -10.804 -16.157 370 HD21 LEU 48 HD21 LEU 48 2.996 -11.435 -14.392 371 HD22 LEU 48 HD22 LEU 48 3.492 -11.647 -12.715 372 HD23 LEU 48 HD23 LEU 48 3.909 -12.870 -13.918 373 H THR 49 HN THR 49 8.972 -13.170 -13.556 374 HA THR 49 HA THR 49 8.759 -13.743 -16.314 375 HB THR 49 HB THR 49 11.153 -14.224 -14.492 376 HG1 THR 49 HG1 THR 49 10.731 -11.890 -16.035 377 HG21 THR 49 HG21 THR 49 11.046 -13.697 -17.491 378 HG22 THR 49 HG22 THR 49 11.449 -15.236 -16.729 379 HG23 THR 49 HG23 THR 49 12.515 -13.846 -16.525 380 H GLU 50 HN GLU 50 9.392 -15.780 -13.516 381 HA GLU 50 HA GLU 50 9.551 -18.295 -14.807 382 HB2 GLU 50 HB2 GLU 50 8.662 -17.638 -11.969 383 HB3 GLU 50 HB1 GLU 50 9.045 -19.259 -12.547 384 HG2 GLU 50 HG2 GLU 50 11.373 -18.614 -12.937 385 HG3 GLU 50 HG1 GLU 50 11.013 -16.948 -12.490 386 H HIS 51 HN HIS 51 6.797 -16.503 -13.472 387 HA HIS 51 HA HIS 51 4.796 -18.487 -13.746 388 HB2 HIS 51 HB2 HIS 51 4.297 -16.772 -12.208 389 HB3 HIS 51 HB1 HIS 51 4.792 -15.497 -13.309 390 HD1 HIS 51 HD1 HIS 51 1.881 -17.967 -12.931 391 HD2 HIS 51 HD2 HIS 51 2.754 -14.230 -14.508 392 HE1 HIS 51 HE1 HIS 51 -0.325 -16.979 -13.683 393 H LYS 52 HN LYS 52 5.780 -15.858 -15.910 394 HA LYS 52 HA LYS 52 3.540 -15.967 -17.615 395 HB2 LYS 52 HB2 LYS 52 4.699 -14.375 -19.033 396 HB3 LYS 52 HB1 LYS 52 4.952 -13.954 -17.346 397 HG2 LYS 52 HG2 LYS 52 7.213 -15.156 -17.541 398 HG3 LYS 52 HG1 LYS 52 6.941 -15.149 -19.285 399 HD2 LYS 52 HD2 LYS 52 7.145 -12.707 -17.467 400 HD3 LYS 52 HD1 LYS 52 8.352 -13.242 -18.635 401 HE2 LYS 52 HE2 LYS 52 5.562 -12.239 -19.313 402 HE3 LYS 52 HE1 LYS 52 7.049 -11.306 -19.462 403 HZ1 LYS 52 HZ1 LYS 52 7.826 -12.946 -21.073 404 HZ2 LYS 52 HZ2 LYS 52 6.403 -12.189 -21.570 405 HZ3 LYS 52 HZ3 LYS 52 6.350 -13.762 -20.962 406 H VAL 53 HN VAL 53 6.666 -17.652 -17.792 407 HA VAL 53 HA VAL 53 6.264 -18.631 -20.466 408 HB VAL 53 HB VAL 53 8.236 -20.017 -20.100 409 HG11 VAL 53 HG11 VAL 53 8.638 -17.219 -18.973 410 HG12 VAL 53 HG12 VAL 53 8.594 -17.659 -20.682 411 HG13 VAL 53 HG13 VAL 53 9.905 -18.246 -19.659 412 HG21 VAL 53 HG21 VAL 53 8.175 -19.119 -17.189 413 HG22 VAL 53 HG22 VAL 53 9.475 -20.047 -17.943 414 HG23 VAL 53 HG23 VAL 53 7.870 -20.756 -17.779 415 H THR 54 HN THR 54 5.444 -19.787 -17.260 416 HA THR 54 HA THR 54 4.516 -22.404 -18.258 417 HB THR 54 HB THR 54 6.106 -22.430 -16.346 418 HG1 THR 54 HG1 THR 54 4.567 -24.122 -16.570 419 HG21 THR 54 HG21 THR 54 5.394 -20.348 -15.236 420 HG22 THR 54 HG22 THR 54 5.378 -21.712 -14.121 421 HG23 THR 54 HG23 THR 54 3.867 -21.107 -14.796 422 H HIS 55 HN HIS 55 2.899 -20.282 -19.070 423 HA HIS 55 HA HIS 55 1.250 -19.189 -17.003 424 HB2 HIS 55 HB2 HIS 55 1.961 -18.149 -19.371 425 HB3 HIS 55 HB1 HIS 55 0.473 -18.906 -19.926 426 HD1 HIS 55 HD1 HIS 55 -1.792 -17.870 -18.984 427 HD2 HIS 55 HD2 HIS 55 1.676 -16.024 -17.667 428 HE1 HIS 55 HE1 HIS 55 -2.511 -15.760 -17.782 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -4.964 25.620 1.397 2 H2 MET 1 HT2 MET 1 -6.223 25.965 0.335 3 H3 MET 1 HT3 MET 1 -4.640 26.348 -0.101 4 HA MET 1 HA MET 1 -5.701 23.614 0.335 5 HB2 MET 1 HB2 MET 1 -4.884 25.003 -2.260 6 HB3 MET 1 HB1 MET 1 -5.392 23.324 -2.119 7 HG2 MET 1 HG2 MET 1 -7.610 24.092 -1.323 8 HG3 MET 1 HG1 MET 1 -7.107 25.761 -1.609 9 HE1 MET 1 HE1 MET 1 -6.279 26.573 -4.103 10 HE2 MET 1 HE2 MET 1 -6.537 25.618 -5.564 11 HE3 MET 1 HE3 MET 1 -5.310 25.128 -4.395 12 H GLY 2 HN GLY 2 -4.058 22.087 -0.991 13 HA2 GLY 2 HA2 GLY 2 -1.978 21.189 -1.269 14 HA3 GLY 2 HA1 GLY 2 -1.321 22.816 -1.155 15 H SER 3 HN SER 3 -3.187 21.027 1.313 16 HA SER 3 HA SER 3 -0.876 20.376 2.887 17 HB2 SER 3 HB2 SER 3 -1.182 22.815 3.415 18 HB3 SER 3 HB1 SER 3 -2.808 22.473 3.999 19 HG SER 3 HG SER 3 -0.425 21.315 5.030 20 H HIS 4 HN HIS 4 -1.609 18.203 3.140 21 HA HIS 4 HA HIS 4 -3.915 17.913 4.951 22 HB2 HIS 4 HB2 HIS 4 -4.436 16.979 2.703 23 HB3 HIS 4 HB1 HIS 4 -2.945 16.044 2.727 24 HD1 HIS 4 HD1 HIS 4 -6.224 16.276 4.664 25 HD2 HIS 4 HD2 HIS 4 -3.273 13.516 3.718 26 HE1 HIS 4 HE1 HIS 4 -7.038 14.083 5.562 27 HE2 HIS 4 HE2 HIS 4 -5.324 12.411 4.814 28 H LYS 5 HN LYS 5 -3.530 15.938 6.434 29 HA LYS 5 HA LYS 5 -0.743 15.977 7.361 30 HB2 LYS 5 HB2 LYS 5 -2.489 16.383 9.054 31 HB3 LYS 5 HB1 LYS 5 -3.277 14.866 8.648 32 HG2 LYS 5 HG2 LYS 5 -1.193 13.656 9.420 33 HG3 LYS 5 HG1 LYS 5 -0.566 15.208 9.980 34 HD2 LYS 5 HD2 LYS 5 -3.130 13.878 10.957 35 HD3 LYS 5 HD1 LYS 5 -1.593 13.878 11.819 36 HE2 LYS 5 HE2 LYS 5 -1.712 16.344 12.007 37 HE3 LYS 5 HE1 LYS 5 -3.269 16.335 11.175 38 HZ1 LYS 5 HZ1 LYS 5 -2.691 14.995 13.764 39 HZ2 LYS 5 HZ2 LYS 5 -4.190 15.042 12.991 40 HZ3 LYS 5 HZ3 LYS 5 -3.506 16.464 13.582 41 H CYS 6 HN CYS 6 0.634 14.314 6.834 42 HA CYS 6 HA CYS 6 -0.400 11.745 5.912 43 HB2 CYS 6 HB2 CYS 6 1.567 12.619 4.771 44 HB3 CYS 6 HB1 CYS 6 2.448 12.754 6.285 45 H ASN 7 HN ASN 7 -1.456 11.042 7.781 46 HA ASN 7 HA ASN 7 -1.433 10.914 10.284 47 HB2 ASN 7 HB2 ASN 7 -2.638 9.237 9.004 48 HB3 ASN 7 HB1 ASN 7 -1.158 8.346 8.679 49 HD21 ASN 7 HD21 ASN 7 -3.531 9.179 11.137 50 HD22 ASN 7 HD22 ASN 7 -3.120 7.906 12.237 51 H VAL 8 HN VAL 8 1.050 8.716 8.944 52 HA VAL 8 HA VAL 8 2.250 8.075 11.412 53 HB VAL 8 HB VAL 8 3.467 7.828 8.621 54 HG11 VAL 8 HG11 VAL 8 4.097 6.284 11.166 55 HG12 VAL 8 HG12 VAL 8 5.145 7.461 10.373 56 HG13 VAL 8 HG13 VAL 8 4.763 5.939 9.566 57 HG21 VAL 8 HG21 VAL 8 1.249 6.776 8.692 58 HG22 VAL 8 HG22 VAL 8 1.711 5.832 10.110 59 HG23 VAL 8 HG23 VAL 8 2.510 5.550 8.561 60 H CYS 9 HN CYS 9 3.492 10.090 8.736 61 HA CYS 9 HA CYS 9 5.754 11.182 9.952 62 HB2 CYS 9 HB2 CYS 9 3.929 12.304 7.796 63 HB3 CYS 9 HB1 CYS 9 5.406 13.120 8.286 64 H SER 10 HN SER 10 2.400 12.294 10.001 65 HA SER 10 HA SER 10 1.200 13.848 11.056 66 HB2 SER 10 HB2 SER 10 3.550 14.026 12.997 67 HB3 SER 10 HB1 SER 10 1.933 14.679 13.287 68 HG SER 10 HG SER 10 1.987 12.005 12.582 69 H ARG 11 HN ARG 11 3.496 14.500 9.056 70 HA ARG 11 HA ARG 11 3.467 17.434 9.315 71 HB2 ARG 11 HB2 ARG 11 5.697 16.316 9.556 72 HB3 ARG 11 HB1 ARG 11 5.498 15.576 7.976 73 HG2 ARG 11 HG2 ARG 11 7.026 17.479 7.928 74 HG3 ARG 11 HG1 ARG 11 5.612 17.729 6.910 75 HD2 ARG 11 HD2 ARG 11 6.142 19.791 8.065 76 HD3 ARG 11 HD1 ARG 11 4.612 19.162 8.673 77 HE ARG 11 HE ARG 11 6.532 18.207 10.411 78 HH11 ARG 11 HH11 ARG 11 5.417 21.386 9.402 79 HH12 ARG 11 HH12 ARG 11 5.896 22.156 10.876 80 HH21 ARG 11 HH21 ARG 11 7.141 19.234 12.341 81 HH22 ARG 11 HH22 ARG 11 6.880 20.935 12.542 82 H THR 12 HN THR 12 3.886 18.270 6.799 83 HA THR 12 HA THR 12 1.820 17.069 5.094 84 HB THR 12 HB THR 12 0.716 18.861 6.458 85 HG1 THR 12 HG1 THR 12 -0.338 18.838 4.635 86 HG21 THR 12 HG21 THR 12 1.268 21.236 6.074 87 HG22 THR 12 HG22 THR 12 2.638 20.760 5.071 88 HG23 THR 12 HG23 THR 12 2.638 20.380 6.792 89 H PHE 13 HN PHE 13 2.018 17.636 2.893 90 HA PHE 13 HA PHE 13 4.577 18.774 1.954 91 HB2 PHE 13 HB2 PHE 13 2.634 16.768 0.837 92 HB3 PHE 13 HB1 PHE 13 3.422 17.800 -0.347 93 HD1 PHE 13 HD2 PHE 13 4.415 15.801 2.711 94 HD2 PHE 13 HD1 PHE 13 5.344 16.886 -1.319 95 HE1 PHE 13 HE2 PHE 13 6.372 14.313 2.753 96 HE2 PHE 13 HE1 PHE 13 7.303 15.407 -1.259 97 HZ PHE 13 HZ PHE 13 7.821 14.115 0.771 98 H PHE 14 HN PHE 14 4.621 20.527 0.519 99 HA PHE 14 HA PHE 14 2.756 22.516 0.590 100 HB2 PHE 14 HB2 PHE 14 5.121 22.735 -0.202 101 HB3 PHE 14 HB1 PHE 14 4.674 21.964 -1.721 102 HD1 PHE 14 HD1 PHE 14 3.843 24.925 0.442 103 HD2 PHE 14 HD2 PHE 14 3.941 23.331 -3.531 104 HE1 PHE 14 HE1 PHE 14 3.220 27.126 -0.470 105 HE2 PHE 14 HE2 PHE 14 3.326 25.536 -4.425 106 HZ PHE 14 HZ PHE 14 2.958 27.433 -2.898 107 H SER 15 HN SER 15 2.687 19.718 -1.561 108 HA SER 15 HA SER 15 0.037 20.631 -2.544 109 HB2 SER 15 HB2 SER 15 1.526 19.968 -4.363 110 HB3 SER 15 HB1 SER 15 1.869 18.430 -3.581 111 HG SER 15 HG SER 15 -0.482 19.297 -4.860 112 H GLU 16 HN GLU 16 -1.739 19.591 -1.849 113 HA GLU 16 HA GLU 16 -1.572 17.578 0.223 114 HB2 GLU 16 HB2 GLU 16 -4.094 17.701 0.190 115 HB3 GLU 16 HB1 GLU 16 -3.286 19.232 0.512 116 HG2 GLU 16 HG2 GLU 16 -3.652 19.943 -1.814 117 HG3 GLU 16 HG1 GLU 16 -4.411 18.393 -2.176 118 H ASN 17 HN ASN 17 -2.328 17.679 -3.215 119 HA ASN 17 HA ASN 17 -3.111 14.934 -3.519 120 HB2 ASN 17 HB2 ASN 17 -3.560 16.670 -5.260 121 HB3 ASN 17 HB1 ASN 17 -1.832 16.841 -5.539 122 HD21 ASN 17 HD21 ASN 17 -1.901 16.244 -7.682 123 HD22 ASN 17 HD22 ASN 17 -2.282 14.649 -8.232 124 H GLY 18 HN GLY 18 -0.119 16.705 -3.518 125 HA2 GLY 18 HA2 GLY 18 1.651 14.560 -4.290 126 HA3 GLY 18 HA1 GLY 18 2.129 16.115 -3.624 127 H LEU 19 HN LEU 19 0.504 15.881 -1.220 128 HA LEU 19 HA LEU 19 2.095 14.373 0.554 129 HB2 LEU 19 HB2 LEU 19 0.713 16.395 1.083 130 HB3 LEU 19 HB1 LEU 19 -0.733 15.440 0.912 131 HG LEU 19 HG LEU 19 0.031 15.969 3.296 132 HD11 LEU 19 HD11 LEU 19 -1.639 14.222 2.883 133 HD12 LEU 19 HD12 LEU 19 -0.605 13.835 4.252 134 HD13 LEU 19 HD13 LEU 19 -0.351 13.025 2.707 135 HD21 LEU 19 HD21 LEU 19 1.764 14.566 4.304 136 HD22 LEU 19 HD22 LEU 19 2.426 15.609 3.041 137 HD23 LEU 19 HD23 LEU 19 2.156 13.892 2.719 138 H ARG 20 HN ARG 20 -1.209 13.816 -0.648 139 HA ARG 20 HA ARG 20 -1.713 11.297 0.437 140 HB2 ARG 20 HB2 ARG 20 -2.732 12.582 -2.095 141 HB3 ARG 20 HB1 ARG 20 -3.349 11.043 -1.484 142 HG2 ARG 20 HG2 ARG 20 -3.964 12.194 0.661 143 HG3 ARG 20 HG1 ARG 20 -3.472 13.729 -0.069 144 HD2 ARG 20 HD2 ARG 20 -5.604 11.881 -1.156 145 HD3 ARG 20 HD1 ARG 20 -5.914 13.320 -0.191 146 HE ARG 20 HE ARG 20 -4.904 14.644 -2.008 147 HH11 ARG 20 HH11 ARG 20 -6.040 11.444 -2.850 148 HH12 ARG 20 HH12 ARG 20 -6.353 11.858 -4.502 149 HH21 ARG 20 HH21 ARG 20 -5.342 15.174 -4.182 150 HH22 ARG 20 HH22 ARG 20 -5.961 13.959 -5.254 151 H GLU 21 HN GLU 21 -0.290 12.133 -2.664 152 HA GLU 21 HA GLU 21 0.256 9.610 -3.725 153 HB2 GLU 21 HB2 GLU 21 0.386 11.750 -4.964 154 HB3 GLU 21 HB1 GLU 21 1.794 12.221 -4.017 155 HG2 GLU 21 HG2 GLU 21 3.064 10.322 -4.992 156 HG3 GLU 21 HG1 GLU 21 1.661 9.906 -5.976 157 H HIS 22 HN HIS 22 2.148 11.690 -1.580 158 HA HIS 22 HA HIS 22 4.471 10.076 -1.308 159 HB2 HIS 22 HB2 HIS 22 4.876 12.300 -0.712 160 HB3 HIS 22 HB1 HIS 22 3.313 12.499 0.064 161 HD1 HIS 22 HD1 HIS 22 6.809 11.255 0.791 162 HD2 HIS 22 HD2 HIS 22 3.221 11.979 2.738 163 HE1 HIS 22 HE1 HIS 22 7.253 10.913 3.253 164 H LEU 23 HN LEU 23 1.420 10.199 0.476 165 HA LEU 23 HA LEU 23 2.199 8.981 2.858 166 HB2 LEU 23 HB2 LEU 23 0.125 10.355 2.252 167 HB3 LEU 23 HB1 LEU 23 -0.567 8.884 1.603 168 HG LEU 23 HG LEU 23 0.335 8.999 4.499 169 HD11 LEU 23 HD11 LEU 23 -1.893 9.735 5.182 170 HD12 LEU 23 HD12 LEU 23 -2.381 9.899 3.493 171 HD13 LEU 23 HD13 LEU 23 -1.128 10.951 4.155 172 HD21 LEU 23 HD21 LEU 23 -0.259 6.790 3.592 173 HD22 LEU 23 HD22 LEU 23 -1.848 7.397 3.126 174 HD23 LEU 23 HD23 LEU 23 -1.403 7.301 4.832 175 H GLN 24 HN GLN 24 1.104 7.637 -0.175 176 HA GLN 24 HA GLN 24 0.689 4.944 0.608 177 HB2 GLN 24 HB2 GLN 24 1.305 6.088 -2.144 178 HB3 GLN 24 HB1 GLN 24 0.585 4.513 -1.818 179 HG2 GLN 24 HG2 GLN 24 -1.435 5.531 -0.956 180 HG3 GLN 24 HG1 GLN 24 -0.709 7.137 -1.013 181 HE21 GLN 24 HE21 GLN 24 -0.396 8.121 -3.054 182 HE22 GLN 24 HE22 GLN 24 -1.276 7.618 -4.453 183 H THR 25 HN THR 25 3.625 6.680 0.034 184 HA THR 25 HA THR 25 5.222 4.521 -1.001 185 HB THR 25 HB THR 25 7.155 5.960 -0.765 186 HG1 THR 25 HG1 THR 25 6.063 8.175 0.307 187 HG21 THR 25 HG21 THR 25 4.773 7.646 -1.610 188 HG22 THR 25 HG22 THR 25 5.686 6.552 -2.653 189 HG23 THR 25 HG23 THR 25 6.458 7.997 -1.998 190 H HIS 26 HN HIS 26 4.020 5.098 2.100 191 HA HIS 26 HA HIS 26 6.266 3.998 3.610 192 HB2 HIS 26 HB2 HIS 26 3.429 4.693 4.487 193 HB3 HIS 26 HB1 HIS 26 4.711 4.154 5.568 194 HD1 HIS 26 HD1 HIS 26 7.047 5.834 4.935 195 HD2 HIS 26 HD2 HIS 26 3.180 7.365 4.830 196 HE1 HIS 26 HE1 HIS 26 7.261 8.335 5.147 197 H ARG 27 HN ARG 27 3.282 2.924 2.170 198 HA ARG 27 HA ARG 27 3.683 0.123 2.937 199 HB2 ARG 27 HB2 ARG 27 1.378 1.124 2.608 200 HB3 ARG 27 HB1 ARG 27 1.770 1.387 0.910 201 HG2 ARG 27 HG2 ARG 27 2.032 -1.089 0.630 202 HG3 ARG 27 HG1 ARG 27 1.532 -1.297 2.313 203 HD2 ARG 27 HD2 ARG 27 -0.397 -1.685 0.916 204 HD3 ARG 27 HD1 ARG 27 -0.637 -0.142 1.744 205 HE ARG 27 HE ARG 27 0.340 -0.330 -1.054 206 HH11 ARG 27 HH11 ARG 27 -1.841 1.139 1.279 207 HH12 ARG 27 HH12 ARG 27 -2.573 2.183 0.100 208 HH21 ARG 27 HH21 ARG 27 -0.651 1.017 -2.566 209 HH22 ARG 27 HH22 ARG 27 -1.902 2.111 -2.066 210 H GLY 28 HN GLY 28 4.387 2.401 0.435 211 HA2 GLY 28 HA2 GLY 28 6.216 2.094 -1.115 212 HA3 GLY 28 HA1 GLY 28 5.722 0.411 -1.304 213 HA PRO 29 HA PRO 29 3.432 3.501 -4.333 214 HB2 PRO 29 HB2 PRO 29 4.955 3.055 -6.617 215 HB3 PRO 29 HB1 PRO 29 5.208 4.404 -5.505 216 HG2 PRO 29 HG2 PRO 29 6.657 1.760 -5.635 217 HG3 PRO 29 HG1 PRO 29 7.327 3.400 -5.451 218 HD2 PRO 29 HD2 PRO 29 7.043 1.777 -3.322 219 HD3 PRO 29 HD1 PRO 29 6.737 3.524 -3.186 220 H ALA 30 HN ALA 30 1.893 2.692 -5.885 221 HA ALA 30 HA ALA 30 1.564 -0.166 -6.074 222 HB1 ALA 30 HB1 ALA 30 -0.473 0.363 -7.333 223 HB2 ALA 30 HB2 ALA 30 0.001 2.059 -7.421 224 HB3 ALA 30 HB3 ALA 30 -0.379 1.333 -5.861 225 H LYS 31 HN LYS 31 3.949 0.100 -7.073 226 HA LYS 31 HA LYS 31 3.775 -0.379 -9.944 227 HB2 LYS 31 HB2 LYS 31 5.785 1.541 -8.673 228 HB3 LYS 31 HB1 LYS 31 5.839 0.973 -10.342 229 HG2 LYS 31 HG2 LYS 31 3.602 2.051 -10.724 230 HG3 LYS 31 HG1 LYS 31 3.701 2.740 -9.098 231 HD2 LYS 31 HD2 LYS 31 5.730 3.980 -9.725 232 HD3 LYS 31 HD1 LYS 31 5.715 3.228 -11.325 233 HE2 LYS 31 HE2 LYS 31 3.456 4.294 -11.701 234 HE3 LYS 31 HE1 LYS 31 3.690 5.199 -10.207 235 HZ1 LYS 31 HZ1 LYS 31 4.317 6.471 -12.154 236 HZ2 LYS 31 HZ2 LYS 31 5.447 5.301 -12.598 237 HZ3 LYS 31 HZ3 LYS 31 5.668 6.180 -11.173 238 H HIS 32 HN HIS 32 5.550 -1.647 -10.743 239 HA HIS 32 HA HIS 32 6.900 -3.450 -10.733 240 HB2 HIS 32 HB2 HIS 32 8.566 -1.785 -9.932 241 HB3 HIS 32 HB1 HIS 32 8.102 -2.101 -8.265 242 HD1 HIS 32 HD1 HIS 32 9.227 -4.064 -7.100 243 HD2 HIS 32 HD2 HIS 32 10.038 -3.944 -11.177 244 HE1 HIS 32 HE1 HIS 32 11.025 -5.767 -7.484 245 HE2 HIS 32 HE2 HIS 32 11.540 -5.646 -9.943 246 H TYR 33 HN TYR 33 4.935 -4.660 -10.279 247 HA TYR 33 HA TYR 33 4.958 -6.006 -7.645 248 HB2 TYR 33 HB2 TYR 33 2.617 -5.047 -9.317 249 HB3 TYR 33 HB1 TYR 33 2.411 -6.501 -8.338 250 HD1 TYR 33 HD1 TYR 33 3.438 -2.901 -8.097 251 HD2 TYR 33 HD2 TYR 33 1.987 -6.324 -5.991 252 HE1 TYR 33 HE1 TYR 33 3.114 -1.538 -6.093 253 HE2 TYR 33 HE2 TYR 33 1.652 -4.944 -3.985 254 HH TYR 33 HH TYR 33 2.517 -2.869 -3.038 255 H MET 34 HN MET 34 5.456 -8.028 -7.651 256 HA MET 34 HA MET 34 5.428 -9.633 -10.121 257 HB2 MET 34 HB2 MET 34 7.547 -9.603 -8.829 258 HB3 MET 34 HB1 MET 34 6.696 -10.114 -7.382 259 HG2 MET 34 HG2 MET 34 6.200 -12.286 -8.435 260 HG3 MET 34 HG1 MET 34 7.049 -11.767 -9.897 261 HE1 MET 34 HE1 MET 34 8.584 -14.040 -9.673 262 HE2 MET 34 HE2 MET 34 7.720 -14.462 -8.191 263 HE3 MET 34 HE3 MET 34 9.483 -14.428 -8.207 264 H CYS 35 HN CYS 35 4.103 -11.480 -10.233 265 HA CYS 35 HA CYS 35 1.698 -11.425 -8.736 266 HB2 CYS 35 HB2 CYS 35 1.721 -12.230 -10.999 267 HB3 CYS 35 HB1 CYS 35 2.881 -13.459 -10.612 268 HA PRO 36 HA PRO 36 2.897 -14.159 -5.288 269 HB2 PRO 36 HB2 PRO 36 0.386 -14.755 -4.327 270 HB3 PRO 36 HB1 PRO 36 1.195 -13.212 -4.026 271 HG2 PRO 36 HG2 PRO 36 -0.879 -13.892 -6.109 272 HG3 PRO 36 HG1 PRO 36 -0.794 -12.475 -5.034 273 HD2 PRO 36 HD2 PRO 36 0.015 -12.370 -7.627 274 HD3 PRO 36 HD1 PRO 36 0.818 -11.415 -6.360 275 H ILE 37 HN ILE 37 0.314 -15.211 -7.594 276 HA ILE 37 HA ILE 37 0.334 -17.906 -6.620 277 HB ILE 37 HB ILE 37 -1.029 -16.828 -9.124 278 HG12 ILE 37 HG12 ILE 37 -2.145 -16.938 -6.274 279 HG13 ILE 37 HG11 ILE 37 -1.663 -15.469 -7.111 280 HG21 ILE 37 HG21 ILE 37 -0.971 -19.293 -8.981 281 HG22 ILE 37 HG22 ILE 37 -2.616 -18.689 -8.790 282 HG23 ILE 37 HG23 ILE 37 -1.702 -19.225 -7.378 283 HD11 ILE 37 HD11 ILE 37 -3.953 -17.290 -7.849 284 HD12 ILE 37 HD12 ILE 37 -3.454 -15.869 -8.768 285 HD13 ILE 37 HD13 ILE 37 -4.051 -15.688 -7.119 286 H CYS 38 HN CYS 38 1.187 -16.538 -9.899 287 HA CYS 38 HA CYS 38 2.772 -18.979 -10.418 288 HB2 CYS 38 HB2 CYS 38 2.446 -18.576 -12.780 289 HB3 CYS 38 HB1 CYS 38 0.894 -18.598 -11.980 290 H GLY 39 HN GLY 39 2.990 -15.368 -10.960 291 HA2 GLY 39 HA2 GLY 39 4.603 -14.216 -9.746 292 HA3 GLY 39 HA1 GLY 39 5.623 -15.638 -9.729 293 H GLU 40 HN GLU 40 4.181 -14.202 -12.655 294 HA GLU 40 HA GLU 40 6.790 -13.294 -13.561 295 HB2 GLU 40 HB2 GLU 40 5.670 -12.625 -15.601 296 HB3 GLU 40 HB1 GLU 40 5.234 -14.272 -15.200 297 HG2 GLU 40 HG2 GLU 40 3.455 -11.897 -14.593 298 HG3 GLU 40 HG1 GLU 40 3.407 -12.764 -16.104 299 H ARG 41 HN ARG 41 7.086 -11.070 -14.307 300 HA ARG 41 HA ARG 41 6.461 -9.205 -12.167 301 HB2 ARG 41 HB2 ARG 41 8.175 -8.986 -14.664 302 HB3 ARG 41 HB1 ARG 41 7.963 -7.659 -13.527 303 HG2 ARG 41 HG2 ARG 41 9.051 -8.894 -11.762 304 HG3 ARG 41 HG1 ARG 41 9.122 -10.353 -12.758 305 HD2 ARG 41 HD2 ARG 41 11.290 -9.071 -12.618 306 HD3 ARG 41 HD1 ARG 41 10.711 -9.351 -14.263 307 HE ARG 41 HE ARG 41 10.348 -6.780 -12.819 308 HH11 ARG 41 HH11 ARG 41 11.221 -8.495 -15.758 309 HH12 ARG 41 HH12 ARG 41 11.466 -7.041 -16.670 310 HH21 ARG 41 HH21 ARG 41 10.654 -4.898 -14.042 311 HH22 ARG 41 HH22 ARG 41 11.161 -5.013 -15.698 312 H PHE 42 HN PHE 42 5.189 -7.393 -12.306 313 HA PHE 42 HA PHE 42 4.042 -6.568 -14.896 314 HB2 PHE 42 HB2 PHE 42 2.625 -6.816 -12.206 315 HB3 PHE 42 HB1 PHE 42 1.966 -5.882 -13.548 316 HD1 PHE 42 HD2 PHE 42 1.359 -7.010 -15.693 317 HD2 PHE 42 HD1 PHE 42 2.492 -9.247 -12.229 318 HE1 PHE 42 HE2 PHE 42 0.419 -9.047 -16.697 319 HE2 PHE 42 HE1 PHE 42 1.564 -11.273 -13.249 320 HZ PHE 42 HZ PHE 42 0.523 -11.180 -15.477 321 HA PRO 43 HA PRO 43 5.743 -2.588 -14.044 322 HB2 PRO 43 HB2 PRO 43 3.972 -0.906 -15.321 323 HB3 PRO 43 HB1 PRO 43 5.092 -1.973 -16.185 324 HG2 PRO 43 HG2 PRO 43 2.187 -2.458 -15.497 325 HG3 PRO 43 HG1 PRO 43 3.011 -2.650 -17.063 326 HD2 PRO 43 HD2 PRO 43 2.555 -4.769 -15.482 327 HD3 PRO 43 HD1 PRO 43 4.074 -4.635 -16.401 328 H SER 44 HN SER 44 2.473 -3.308 -12.882 329 HA SER 44 HA SER 44 2.700 -1.455 -10.704 330 HB2 SER 44 HB2 SER 44 0.673 -0.112 -11.362 331 HB3 SER 44 HB1 SER 44 2.055 0.160 -12.398 332 HG SER 44 HG SER 44 1.037 -1.493 -13.817 333 H LEU 45 HN LEU 45 0.760 -1.400 -9.357 334 HA LEU 45 HA LEU 45 -0.656 -3.969 -9.206 335 HB2 LEU 45 HB2 LEU 45 0.298 -2.880 -7.163 336 HB3 LEU 45 HB1 LEU 45 -0.822 -1.545 -7.369 337 HG LEU 45 HG LEU 45 -2.741 -3.097 -6.978 338 HD11 LEU 45 HD11 LEU 45 -0.629 -5.214 -6.478 339 HD12 LEU 45 HD12 LEU 45 -1.767 -5.173 -7.827 340 HD13 LEU 45 HD13 LEU 45 -2.361 -5.387 -6.184 341 HD21 LEU 45 HD21 LEU 45 -1.786 -1.880 -5.061 342 HD22 LEU 45 HD22 LEU 45 -0.649 -3.198 -4.773 343 HD23 LEU 45 HD23 LEU 45 -2.381 -3.464 -4.567 344 H LEU 46 HN LEU 46 -1.438 -3.161 -11.415 345 HA LEU 46 HA LEU 46 -4.183 -2.262 -11.261 346 HB2 LEU 46 HB2 LEU 46 -2.145 -0.817 -13.025 347 HB3 LEU 46 HB1 LEU 46 -3.866 -0.789 -13.343 348 HG LEU 46 HG LEU 46 -3.992 0.249 -10.879 349 HD11 LEU 46 HD11 LEU 46 -1.615 0.018 -10.328 350 HD12 LEU 46 HD12 LEU 46 -2.103 1.709 -10.324 351 HD13 LEU 46 HD13 LEU 46 -1.183 1.059 -11.685 352 HD21 LEU 46 HD21 LEU 46 -3.921 2.518 -11.851 353 HD22 LEU 46 HD22 LEU 46 -4.780 1.393 -12.898 354 HD23 LEU 46 HD23 LEU 46 -3.131 1.880 -13.298 355 H THR 47 HN THR 47 -1.460 -2.990 -13.412 356 HA THR 47 HA THR 47 -2.865 -4.688 -15.204 357 HB THR 47 HB THR 47 -0.582 -5.268 -16.022 358 HG1 THR 47 HG1 THR 47 0.924 -5.216 -14.537 359 HG21 THR 47 HG21 THR 47 -0.887 -2.300 -15.383 360 HG22 THR 47 HG22 THR 47 -1.582 -3.129 -16.780 361 HG23 THR 47 HG23 THR 47 0.168 -2.983 -16.623 362 H LEU 48 HN LEU 48 -0.799 -5.320 -12.340 363 HA LEU 48 HA LEU 48 -1.030 -8.114 -12.228 364 HB2 LEU 48 HB2 LEU 48 0.537 -6.653 -10.891 365 HB3 LEU 48 HB1 LEU 48 -0.807 -6.168 -9.887 366 HG LEU 48 HG LEU 48 0.834 -7.918 -8.922 367 HD11 LEU 48 HD11 LEU 48 -0.870 -9.202 -7.731 368 HD12 LEU 48 HD12 LEU 48 -2.098 -8.682 -8.888 369 HD13 LEU 48 HD13 LEU 48 -1.319 -7.501 -7.835 370 HD21 LEU 48 HD21 LEU 48 1.065 -9.347 -10.892 371 HD22 LEU 48 HD22 LEU 48 -0.634 -9.804 -10.788 372 HD23 LEU 48 HD23 LEU 48 0.490 -10.273 -9.512 373 H THR 49 HN THR 49 -3.209 -5.576 -11.137 374 HA THR 49 HA THR 49 -5.160 -7.103 -9.808 375 HB THR 49 HB THR 49 -5.431 -4.474 -11.323 376 HG1 THR 49 HG1 THR 49 -4.957 -3.531 -9.400 377 HG21 THR 49 HG21 THR 49 -7.662 -5.496 -10.958 378 HG22 THR 49 HG22 THR 49 -7.444 -4.045 -9.984 379 HG23 THR 49 HG23 THR 49 -7.310 -5.635 -9.233 380 H GLU 50 HN GLU 50 -4.913 -6.095 -13.214 381 HA GLU 50 HA GLU 50 -7.352 -7.235 -14.161 382 HB2 GLU 50 HB2 GLU 50 -4.794 -6.552 -15.670 383 HB3 GLU 50 HB1 GLU 50 -6.329 -6.957 -16.435 384 HG2 GLU 50 HG2 GLU 50 -7.375 -4.960 -15.448 385 HG3 GLU 50 HG1 GLU 50 -5.879 -4.580 -14.606 386 H HIS 51 HN HIS 51 -4.079 -8.430 -13.884 387 HA HIS 51 HA HIS 51 -4.339 -10.957 -15.075 388 HB2 HIS 51 HB2 HIS 51 -2.192 -9.860 -14.586 389 HB3 HIS 51 HB1 HIS 51 -2.508 -9.948 -12.862 390 HD1 HIS 51 HD1 HIS 51 -2.242 -12.522 -15.702 391 HD2 HIS 51 HD2 HIS 51 -1.066 -11.876 -11.780 392 HE1 HIS 51 HE1 HIS 51 -0.818 -14.504 -15.046 393 H LYS 52 HN LYS 52 -4.744 -9.888 -11.718 394 HA LYS 52 HA LYS 52 -5.093 -12.344 -10.436 395 HB2 LYS 52 HB2 LYS 52 -4.495 -10.327 -9.236 396 HB3 LYS 52 HB1 LYS 52 -5.993 -9.538 -9.701 397 HG2 LYS 52 HG2 LYS 52 -7.249 -11.175 -8.279 398 HG3 LYS 52 HG1 LYS 52 -5.704 -11.862 -7.762 399 HD2 LYS 52 HD2 LYS 52 -5.048 -9.761 -6.730 400 HD3 LYS 52 HD1 LYS 52 -6.448 -8.934 -7.410 401 HE2 LYS 52 HE2 LYS 52 -6.808 -9.358 -5.054 402 HE3 LYS 52 HE1 LYS 52 -7.929 -10.320 -6.014 403 HZ1 LYS 52 HZ1 LYS 52 -6.900 -11.507 -4.119 404 HZ2 LYS 52 HZ2 LYS 52 -5.403 -11.380 -4.884 405 HZ3 LYS 52 HZ3 LYS 52 -6.647 -12.266 -5.603 406 H VAL 53 HN VAL 53 -7.583 -10.179 -11.840 407 HA VAL 53 HA VAL 53 -9.817 -11.233 -10.483 408 HB VAL 53 HB VAL 53 -11.205 -9.991 -12.123 409 HG11 VAL 53 HG11 VAL 53 -10.250 -8.753 -10.243 410 HG12 VAL 53 HG12 VAL 53 -10.332 -7.720 -11.671 411 HG13 VAL 53 HG13 VAL 53 -8.790 -8.420 -11.177 412 HG21 VAL 53 HG21 VAL 53 -9.944 -10.433 -14.193 413 HG22 VAL 53 HG22 VAL 53 -8.601 -9.454 -13.597 414 HG23 VAL 53 HG23 VAL 53 -10.155 -8.699 -13.950 415 H THR 54 HN THR 54 -8.194 -12.401 -13.266 416 HA THR 54 HA THR 54 -10.247 -14.536 -13.635 417 HB THR 54 HB THR 54 -9.300 -14.761 -16.013 418 HG1 THR 54 HG1 THR 54 -8.451 -12.249 -16.305 419 HG21 THR 54 HG21 THR 54 -10.667 -12.129 -15.320 420 HG22 THR 54 HG22 THR 54 -11.478 -13.665 -15.636 421 HG23 THR 54 HG23 THR 54 -10.593 -12.852 -16.928 422 H HIS 55 HN HIS 55 -6.852 -13.908 -14.235 423 HA HIS 55 HA HIS 55 -4.913 -15.001 -14.025 424 HB2 HIS 55 HB2 HIS 55 -5.698 -14.779 -11.601 425 HB3 HIS 55 HB1 HIS 55 -6.153 -16.475 -11.677 426 HD1 HIS 55 HD1 HIS 55 -3.987 -18.118 -12.416 427 HD2 HIS 55 HD2 HIS 55 -3.159 -14.339 -10.948 428 HE1 HIS 55 HE1 HIS 55 -1.502 -18.063 -11.968
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