NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
640569 | 6kbv | 36266 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 H VAL 1 1.807 0.001 0.856 2 HA VAL 1 HA VAL 1 3.123 0.220 -1.000 3 HB VAL 1 HB VAL 1 2.628 -1.327 -2.837 4 HG11 VAL 1 HG11 VAL 1 1.884 -2.866 -0.400 5 HG12 VAL 1 HG12 VAL 1 3.085 -3.226 -1.642 6 HG13 VAL 1 HG13 VAL 1 3.422 -2.003 -0.417 7 HG21 VAL 1 HG21 VAL 1 -0.053 -0.961 -1.954 8 HG22 VAL 1 HG22 VAL 1 0.532 -1.827 -3.375 9 HG23 VAL 1 HG23 VAL 1 0.345 -2.676 -1.841 10 H ALA 2 H ALA 2 1.033 2.228 -0.682 11 HA ALA 2 HA ALA 2 0.493 2.900 -3.498 12 HB1 ALA 2 1HB ALA 2 -1.041 4.647 -2.118 13 HB2 ALA 2 HB2 ALA 2 -1.594 3.067 -2.675 14 HB3 ALA 2 HB3 ALA 2 -1.036 3.271 -1.014 15 H ARG 3 H ARG 3 2.226 4.046 -4.170 16 HA ARG 3 HA ARG 3 2.985 6.399 -2.564 17 HB2 ARG 3 HB2 ARG 3 4.981 5.487 -4.499 18 HB3 ARG 3 HB3 ARG 3 5.173 5.936 -2.809 19 HG2 ARG 3 HG2 ARG 3 4.400 3.724 -2.127 20 HG3 ARG 3 HG3 ARG 3 4.195 3.274 -3.821 21 HD2 ARG 3 HD2 ARG 3 6.286 2.488 -3.668 22 HD3 ARG 3 HD3 ARG 3 6.771 4.179 -3.780 23 HE ARG 3 HE ARG 3 7.377 4.124 -1.566 24 HH11 ARG 3 HH11 ARG 3 5.489 1.299 -2.326 25 HH12 ARG 3 HH12 ARG 3 5.808 0.519 -0.812 26 HH21 ARG 3 HH21 ARG 3 7.803 3.107 0.430 27 HH22 ARG 3 HH22 ARG 3 7.123 1.549 0.755 28 H GLY 4 H GLY 4 1.600 5.323 -5.415 29 HA2 GLY 4 HA2 GLY 4 2.489 7.582 -7.032 30 HA3 GLY 4 HA3 GLY 4 1.447 6.269 -7.560 31 H TRP 5 H TRP 5 0.171 7.110 -4.709 32 HA TRP 5 HA TRP 5 -1.561 9.177 -5.899 33 HB2 TRP 5 HB2 TRP 5 -2.221 6.620 -4.605 34 HB3 TRP 5 HB3 TRP 5 -3.149 7.993 -4.008 35 HD1 TRP 5 HD1 TRP 5 -2.085 7.091 -7.637 36 HE1 TRP 5 HE1 TRP 5 -4.201 7.100 -9.102 37 HE3 TRP 5 HE3 TRP 5 -5.562 8.108 -4.030 38 HZ2 TRP 5 HZ2 TRP 5 -6.978 7.488 -8.771 39 HZ3 TRP 5 HZ3 TRP 5 -7.926 8.283 -4.688 40 HH2 TRP 5 HH2 TRP 5 -8.618 7.979 -7.010 41 H LYS 6 H LYS 6 0.608 8.454 -3.469 42 HA LYS 6 HA LYS 6 -0.526 10.470 -1.650 43 HB2 LYS 6 HB2 LYS 6 0.761 9.502 0.110 44 HB3 LYS 6 HB3 LYS 6 -0.025 8.178 -0.740 45 HG2 LYS 6 HG2 LYS 6 2.048 7.292 -0.581 46 HG3 LYS 6 HG3 LYS 6 2.273 8.198 -2.079 47 HD2 LYS 6 HD2 LYS 6 3.781 9.553 -1.139 48 HD3 LYS 6 HD3 LYS 6 2.766 9.821 0.280 49 HE2 LYS 6 HE2 LYS 6 3.622 7.941 1.385 50 HE3 LYS 6 HE3 LYS 6 4.289 7.263 -0.099 51 HZ1 LYS 6 HZ1 LYS 6 5.273 9.839 0.944 52 HZ2 LYS 6 HZ2 LYS 6 6.051 8.739 -0.078 53 HZ3 LYS 6 HZ3 LYS 6 5.868 8.382 1.565 54 H ARG 7 H ARG 7 1.909 9.933 -3.941 55 HA ARG 7 HA ARG 7 3.466 12.217 -2.920 56 HB2 ARG 7 HB2 ARG 7 4.861 10.271 -3.016 57 HB3 ARG 7 HB3 ARG 7 4.304 9.881 -4.637 58 HG2 ARG 7 HG2 ARG 7 5.432 12.519 -4.589 59 HG3 ARG 7 HG3 ARG 7 6.568 11.349 -3.915 60 HD2 ARG 7 HD2 ARG 7 6.964 10.439 -5.915 61 HD3 ARG 7 HD3 ARG 7 5.246 10.362 -6.305 62 HE ARG 7 HE ARG 7 5.532 12.219 -7.587 63 HH11 ARG 7 HH11 ARG 7 8.074 12.125 -5.211 64 HH12 ARG 7 HH12 ARG 7 8.885 13.525 -5.832 65 HH21 ARG 7 HH21 ARG 7 6.590 14.063 -8.415 66 HH22 ARG 7 HH22 ARG 7 8.039 14.627 -7.654 67 H LYS 8 H LYS 8 1.944 10.774 -5.743 68 HA LYS 8 HA LYS 8 2.730 12.803 -7.578 69 HB2 LYS 8 HB2 LYS 8 0.420 10.855 -7.719 70 HB3 LYS 8 HB3 LYS 8 1.024 11.820 -9.059 71 HG2 LYS 8 HG2 LYS 8 2.896 10.005 -7.621 72 HG3 LYS 8 HG3 LYS 8 1.746 9.329 -8.776 73 HD2 LYS 8 HD2 LYS 8 2.615 11.131 -10.388 74 HD3 LYS 8 HD3 LYS 8 3.960 11.300 -9.257 75 HE2 LYS 8 HE2 LYS 8 4.723 9.137 -9.653 76 HE3 LYS 8 HE3 LYS 8 3.174 8.607 -10.307 77 HZ1 LYS 8 HZ1 LYS 8 5.064 10.484 -11.621 78 HZ2 LYS 8 HZ2 LYS 8 3.568 10.006 -12.247 79 HZ3 LYS 8 HZ3 LYS 8 4.807 8.870 -12.056 80 H CYS 9 H CYS 9 2.225 14.711 -6.328 81 HA CYS 9 HA CYS 9 -0.514 15.324 -5.710 82 HB2 CYS 9 HB2 CYS 9 2.087 16.457 -5.156 83 HB3 CYS 9 HB3 CYS 9 0.971 17.707 -5.690 84 HG CYS 9 HG CYS 9 -0.986 16.658 -3.719 85 HA PRO 10 HA PRO 10 -0.056 18.442 -9.357 86 HB2 PRO 10 HB2 PRO 10 2.209 18.319 -10.849 87 HB3 PRO 10 HB3 PRO 10 2.064 19.327 -9.405 88 HG2 PRO 10 HG2 PRO 10 3.325 16.630 -9.712 89 HG3 PRO 10 HG3 PRO 10 3.913 18.045 -8.819 90 HD2 PRO 10 HD2 PRO 10 2.691 15.958 -7.602 91 HD3 PRO 10 HD3 PRO 10 2.550 17.625 -7.009 92 H LEU 11 H LEU 11 1.237 15.209 -9.701 93 HA LEU 11 HA LEU 11 0.510 14.909 -12.456 94 HB2 LEU 11 HB2 LEU 11 1.638 13.206 -10.324 95 HB3 LEU 11 HB3 LEU 11 0.745 12.371 -11.594 96 HG LEU 11 HG LEU 11 2.573 14.200 -12.804 97 HD11 LEU 11 HD11 LEU 11 3.580 13.514 -10.376 98 HD12 LEU 11 HD12 LEU 11 4.551 13.910 -11.793 99 HD13 LEU 11 HD13 LEU 11 4.217 12.225 -11.397 100 HD21 LEU 11 HD21 LEU 11 2.043 11.271 -12.766 101 HD22 LEU 11 HD22 LEU 11 3.539 11.853 -13.495 102 HD23 LEU 11 HD23 LEU 11 1.983 12.413 -14.108 103 H PHE 12 H PHE 12 -0.613 12.900 -9.750 104 HA PHE 12 HA PHE 12 -3.010 12.158 -10.999 105 HB2 PHE 12 HB2 PHE 12 -2.257 10.749 -9.266 106 HB3 PHE 12 HB3 PHE 12 -2.083 12.088 -8.137 107 HD1 PHE 12 HD1 PHE 12 -4.832 10.700 -10.251 108 HD2 PHE 12 HD2 PHE 12 -3.578 12.036 -6.410 109 HE1 PHE 12 HE1 PHE 12 -7.077 10.231 -9.359 110 HE2 PHE 12 HE2 PHE 12 -5.820 11.568 -5.511 111 HZ PHE 12 HZ PHE 12 -7.573 10.664 -6.986 112 H GLY 13 H GLY 13 -2.134 15.031 -9.360 113 HA2 GLY 13 HA2 GLY 13 -4.710 15.822 -8.445 114 HA3 GLY 13 HA3 GLY 13 -3.324 16.878 -8.678 115 H LYS 14 H LYS 14 -2.910 17.682 -10.842 116 HA LYS 14 HA LYS 14 -5.384 17.860 -12.434 117 HB2 LYS 14 HB2 LYS 14 -4.737 20.094 -13.081 118 HB3 LYS 14 HB3 LYS 14 -4.712 19.979 -11.326 119 HG2 LYS 14 HG2 LYS 14 -2.128 19.311 -12.145 120 HG3 LYS 14 HG3 LYS 14 -2.603 20.686 -13.144 121 HD2 LYS 14 HD2 LYS 14 -2.738 22.106 -11.365 122 HD3 LYS 14 HD3 LYS 14 -3.213 20.829 -10.243 123 HE2 LYS 14 HE2 LYS 14 -1.020 20.129 -9.919 124 HE3 LYS 14 HE3 LYS 14 -0.457 20.878 -11.412 125 HZ1 LYS 14 HZ1 LYS 14 -1.311 22.325 -8.963 126 HZ2 LYS 14 HZ2 LYS 14 -0.785 23.050 -10.397 127 HZ3 LYS 14 HZ3 LYS 14 0.286 22.113 -9.481 128 H GLY 15 H GLY 15 -2.200 16.772 -12.398 129 HA2 GLY 15 HA2 GLY 15 -1.219 17.235 -14.939 130 HA3 GLY 15 HA3 GLY 15 -0.910 15.773 -14.015 131 H GLY 16 H GLY 16 -3.800 15.094 -13.966 132 HA2 GLY 16 HA2 GLY 16 -3.830 13.553 -16.376 133 HA3 GLY 16 HA3 GLY 16 -5.101 13.613 -15.163 134 H1 LYS 1 H LYS 1 -4.570 9.178 -16.426 135 HA LYS 1 HA LYS 1 -4.944 6.319 -16.913 136 HB2 LYS 1 HB2 LYS 1 -3.211 8.138 -18.016 137 HB3 LYS 1 HB3 LYS 1 -2.197 7.352 -16.813 138 HG2 LYS 1 HG2 LYS 1 -2.580 5.206 -17.791 139 HG3 LYS 1 HG3 LYS 1 -3.796 5.868 -18.885 140 HD2 LYS 1 HD2 LYS 1 -2.073 7.238 -19.963 141 HD3 LYS 1 HD3 LYS 1 -0.859 6.567 -18.871 142 HE2 LYS 1 HE2 LYS 1 -0.832 4.543 -19.925 143 HE3 LYS 1 HE3 LYS 1 -2.515 4.664 -20.437 144 HZ1 LYS 1 HZ1 LYS 1 -1.961 5.942 -22.255 145 HZ2 LYS 1 HZ2 LYS 1 -0.649 4.878 -22.181 146 HZ3 LYS 1 HZ3 LYS 1 -0.489 6.458 -21.599 147 H TYR 2 H TYR 2 -5.338 7.672 -14.274 148 HA TYR 2 HA TYR 2 -3.341 6.153 -12.729 149 HB2 TYR 2 HB2 TYR 2 -4.223 7.849 -10.875 150 HB3 TYR 2 HB3 TYR 2 -2.916 8.272 -11.975 151 HD1 TYR 2 HD1 TYR 2 -3.064 10.226 -13.219 152 HD2 TYR 2 HD2 TYR 2 -6.625 8.504 -11.652 153 HE1 TYR 2 HE1 TYR 2 -4.341 12.180 -13.992 154 HE2 TYR 2 HE2 TYR 2 -7.913 10.453 -12.422 155 HH TYR 2 HH TYR 2 -6.475 13.331 -13.412 156 H GLU 3 H GLU 3 -6.711 6.852 -13.244 157 HA GLU 3 HA GLU 3 -7.858 5.777 -10.958 158 HB2 GLU 3 HB2 GLU 3 -8.851 5.743 -13.811 159 HB3 GLU 3 HB3 GLU 3 -9.833 5.283 -12.427 160 HG2 GLU 3 HG2 GLU 3 -8.838 7.755 -11.719 161 HG3 GLU 3 HG3 GLU 3 -9.165 7.913 -13.443 162 H ILE 4 H ILE 4 -6.616 4.166 -13.827 163 HA ILE 4 HA ILE 4 -7.615 1.582 -13.188 164 HB ILE 4 HB ILE 4 -5.216 2.232 -14.901 165 HG12 ILE 4 HG12 ILE 4 -7.506 1.690 -16.477 166 HG13 ILE 4 HG13 ILE 4 -7.986 2.888 -15.279 167 HG21 ILE 4 HG21 ILE 4 -5.207 -0.068 -14.547 168 HG22 ILE 4 HG22 ILE 4 -6.966 -0.176 -14.573 169 HG23 ILE 4 HG23 ILE 4 -6.079 0.107 -16.070 170 HD11 ILE 4 HD11 ILE 4 -7.213 4.321 -16.823 171 HD12 ILE 4 HD12 ILE 4 -5.653 3.944 -16.091 172 HD13 ILE 4 HD13 ILE 4 -6.157 3.120 -17.567 173 H THR 5 H THR 5 -4.940 3.431 -12.079 174 HA THR 5 HA THR 5 -3.473 1.122 -11.098 175 HB THR 5 HB THR 5 -2.456 3.546 -9.992 176 HG1 THR 5 HG1 THR 5 -2.520 3.758 -12.798 177 HG21 THR 5 HG21 THR 5 -1.587 1.414 -11.862 178 HG22 THR 5 HG22 THR 5 -0.827 2.002 -10.383 179 HG23 THR 5 HG23 THR 5 -0.672 2.921 -11.881 180 H THR 6 H THR 6 -5.735 3.486 -9.951 181 HA THR 6 HA THR 6 -5.207 2.947 -7.154 182 HB THR 6 HB THR 6 -6.180 5.146 -8.368 183 HG1 THR 6 HG1 THR 6 -7.196 5.419 -6.071 184 HG21 THR 6 HG21 THR 6 -8.283 3.921 -8.963 185 HG22 THR 6 HG22 THR 6 -8.537 5.383 -8.009 186 HG23 THR 6 HG23 THR 6 -8.632 3.800 -7.239 187 H ILE 7 H ILE 7 -7.501 1.999 -9.623 188 HA ILE 7 HA ILE 7 -9.312 0.723 -7.792 189 HB ILE 7 HB ILE 7 -10.370 -0.207 -9.833 190 HG12 ILE 7 HG12 ILE 7 -9.153 1.326 -11.851 191 HG13 ILE 7 HG13 ILE 7 -7.831 0.560 -10.978 192 HG21 ILE 7 HG21 ILE 7 -11.525 1.691 -10.061 193 HG22 ILE 7 HG22 ILE 7 -10.386 2.376 -8.903 194 HG23 ILE 7 HG23 ILE 7 -10.115 2.582 -10.633 195 HD11 ILE 7 HD11 ILE 7 -10.095 -0.727 -12.452 196 HD12 ILE 7 HD12 ILE 7 -8.359 -0.931 -12.685 197 HD13 ILE 7 HD13 ILE 7 -9.143 -1.608 -11.258 198 H HIS 8 H HIS 8 -6.560 -0.232 -9.726 199 HA HIS 8 HA HIS 8 -6.990 -3.054 -9.386 200 HB2 HIS 8 HB2 HIS 8 -4.852 -1.348 -10.586 201 HB3 HIS 8 HB3 HIS 8 -4.466 -3.016 -10.176 202 HD1 HIS 8 HD1 HIS 8 -4.484 -2.052 -13.105 203 HD2 HIS 8 HD2 HIS 8 -7.713 -3.852 -11.210 204 HE1 HIS 8 HE1 HIS 8 -5.891 -3.022 -14.950 205 H ASN 9 H ASN 9 -5.524 -0.537 -7.567 206 HA ASN 9 HA ASN 9 -3.587 -1.948 -6.126 207 HB2 ASN 9 HB2 ASN 9 -3.716 0.478 -6.042 208 HB3 ASN 9 HB3 ASN 9 -5.298 0.396 -5.272 209 HD21 ASN 9 HD21 ASN 9 -5.401 0.323 -3.127 210 HD22 ASN 9 HD22 ASN 9 -4.049 0.119 -2.071 211 H LEU 10 H LEU 10 -7.034 -1.986 -5.929 212 HA LEU 10 HA LEU 10 -7.063 -3.228 -3.302 213 HB2 LEU 10 HB2 LEU 10 -9.365 -2.983 -3.330 214 HB3 LEU 10 HB3 LEU 10 -8.797 -1.576 -4.227 215 HG LEU 10 HG LEU 10 -9.227 -3.361 -6.239 216 HD11 LEU 10 HD11 LEU 10 -10.336 -4.687 -4.168 217 HD12 LEU 10 HD12 LEU 10 -10.888 -4.822 -5.837 218 HD13 LEU 10 HD13 LEU 10 -11.718 -3.739 -4.720 219 HD21 LEU 10 HD21 LEU 10 -10.873 -1.909 -6.902 220 HD22 LEU 10 HD22 LEU 10 -10.021 -0.912 -5.722 221 HD23 LEU 10 HD23 LEU 10 -11.521 -1.724 -5.272 222 H PHE 11 H PHE 11 -6.394 -4.272 -6.336 223 HA PHE 11 HA PHE 11 -7.662 -6.895 -5.964 224 HB2 PHE 11 HB2 PHE 11 -7.084 -5.261 -8.277 225 HB3 PHE 11 HB3 PHE 11 -6.354 -6.854 -8.447 226 HD1 PHE 11 HD1 PHE 11 -9.505 -5.992 -6.700 227 HD2 PHE 11 HD2 PHE 11 -7.699 -7.838 -10.083 228 HE1 PHE 11 HE1 PHE 11 -11.688 -6.917 -7.356 229 HE2 PHE 11 HE2 PHE 11 -9.879 -8.765 -10.745 230 HZ PHE 11 HZ PHE 11 -11.878 -8.304 -9.382 231 H ARG 12 H ARG 12 -6.155 -7.515 -4.314 232 HA ARG 12 HA ARG 12 -3.398 -7.526 -4.494 233 HB2 ARG 12 HB2 ARG 12 -3.443 -9.395 -2.898 234 HB3 ARG 12 HB3 ARG 12 -4.587 -8.135 -2.454 235 HG2 ARG 12 HG2 ARG 12 -6.033 -9.902 -4.056 236 HG3 ARG 12 HG3 ARG 12 -5.048 -10.919 -3.002 237 HD2 ARG 12 HD2 ARG 12 -6.060 -10.150 -1.090 238 HD3 ARG 12 HD3 ARG 12 -6.494 -8.602 -1.815 239 HE ARG 12 HE ARG 12 -7.914 -10.686 -3.079 240 HH11 ARG 12 HH11 ARG 12 -7.778 -8.918 -0.083 241 HH12 ARG 12 HH12 ARG 12 -9.457 -9.144 0.278 242 HH21 ARG 12 HH21 ARG 12 -10.126 -10.991 -2.615 243 HH22 ARG 12 HH22 ARG 12 -10.792 -10.324 -1.163 244 H LYS 13 H LYS 13 -5.720 -9.579 -6.076 245 HA LYS 13 HA LYS 13 -3.887 -11.622 -6.853 246 HB2 LYS 13 HB2 LYS 13 -6.701 -11.031 -7.207 247 HB3 LYS 13 HB3 LYS 13 -5.983 -11.602 -8.708 248 HG2 LYS 13 HG2 LYS 13 -5.167 -13.597 -7.566 249 HG3 LYS 13 HG3 LYS 13 -5.873 -13.023 -6.054 250 HD2 LYS 13 HD2 LYS 13 -8.068 -12.911 -7.489 251 HD3 LYS 13 HD3 LYS 13 -7.214 -14.076 -8.503 252 HE2 LYS 13 HE2 LYS 13 -6.781 -15.099 -6.020 253 HE3 LYS 13 HE3 LYS 13 -8.384 -14.390 -5.827 254 HZ1 LYS 13 HZ1 LYS 13 -7.897 -16.008 -8.212 255 HZ2 LYS 13 HZ2 LYS 13 -9.304 -15.839 -7.290 256 HZ3 LYS 13 HZ3 LYS 13 -8.044 -16.822 -6.736 257 H LEU 14 H LEU 14 -4.994 -8.611 -8.280 258 HA LEU 14 HA LEU 14 -3.714 -9.097 -10.812 259 HB2 LEU 14 HB2 LEU 14 -5.751 -7.692 -10.523 260 HB3 LEU 14 HB3 LEU 14 -4.755 -6.502 -9.687 261 HG LEU 14 HG LEU 14 -3.809 -7.246 -12.370 262 HD11 LEU 14 HD11 LEU 14 -6.506 -6.034 -11.913 263 HD12 LEU 14 HD12 LEU 14 -6.017 -7.269 -13.072 264 HD13 LEU 14 HD13 LEU 14 -5.546 -5.589 -13.323 265 HD21 LEU 14 HD21 LEU 14 -3.937 -4.901 -10.583 266 HD22 LEU 14 HD22 LEU 14 -4.002 -4.567 -12.314 267 HD23 LEU 14 HD23 LEU 14 -2.638 -5.459 -11.638 268 H THR 15 H THR 15 -1.619 -8.888 -11.185 269 HA THR 15 HA THR 15 0.187 -7.822 -9.270 270 HB THR 15 HB THR 15 1.736 -7.947 -11.463 271 HG1 THR 15 HG1 THR 15 0.755 -9.961 -12.529 272 HG21 THR 15 HG21 THR 15 1.011 -9.726 -9.313 273 HG22 THR 15 HG22 THR 15 2.578 -9.489 -10.088 274 HG23 THR 15 HG23 THR 15 1.425 -10.640 -10.763 275 H HIS 16 H HIS 16 0.301 -5.714 -8.844 276 HA HIS 16 HA HIS 16 0.325 -3.837 -11.116 277 HB2 HIS 16 HB2 HIS 16 -0.546 -2.134 -9.478 278 HB3 HIS 16 HB3 HIS 16 -1.675 -3.430 -9.865 279 HD1 HIS 16 HD1 HIS 16 -1.996 -5.286 -7.994 280 HD2 HIS 16 HD2 HIS 16 0.109 -1.903 -6.820 281 HE1 HIS 16 HE1 HIS 16 -1.976 -5.345 -5.480 282 H ARG 17 H ARG 17 2.391 -3.308 -11.450 283 HA ARG 17 HA ARG 17 4.025 -2.583 -9.106 284 HB2 ARG 17 HB2 ARG 17 5.986 -3.355 -10.251 285 HB3 ARG 17 HB3 ARG 17 4.787 -4.641 -10.303 286 HG2 ARG 17 HG2 ARG 17 4.443 -3.045 -12.618 287 HG3 ARG 17 HG3 ARG 17 6.162 -3.407 -12.452 288 HD2 ARG 17 HD2 ARG 17 4.166 -5.593 -12.082 289 HD3 ARG 17 HD3 ARG 17 4.558 -5.053 -13.714 290 HE ARG 17 HE ARG 17 6.221 -6.591 -11.954 291 HH11 ARG 17 HH11 ARG 17 6.195 -4.367 -14.632 292 HH12 ARG 17 HH12 ARG 17 7.735 -4.878 -15.240 293 HH21 ARG 17 HH21 ARG 17 8.250 -7.272 -12.744 294 HH22 ARG 17 HH22 ARG 17 8.903 -6.531 -14.166 295 H LEU 18 H LEU 18 2.509 -1.463 -11.867 296 HA LEU 18 HA LEU 18 4.405 0.535 -12.653 297 HB2 LEU 18 HB2 LEU 18 1.450 0.378 -13.225 298 HB3 LEU 18 HB3 LEU 18 2.624 1.393 -14.061 299 HG LEU 18 HG LEU 18 2.986 -1.569 -14.087 300 HD11 LEU 18 HD11 LEU 18 1.076 -1.953 -15.140 301 HD12 LEU 18 HD12 LEU 18 1.585 -0.850 -16.418 302 HD13 LEU 18 HD13 LEU 18 0.645 -0.245 -15.055 303 HD21 LEU 18 HD21 LEU 18 3.566 -0.634 -16.551 304 HD22 LEU 18 HD22 LEU 18 4.735 -0.731 -15.234 305 HD23 LEU 18 HD23 LEU 18 3.917 0.794 -15.577 306 H PHE 19 H PHE 19 2.463 0.227 -9.983 307 HA PHE 19 HA PHE 19 1.730 3.010 -9.708 308 HB2 PHE 19 HB2 PHE 19 0.508 0.878 -8.775 309 HB3 PHE 19 HB3 PHE 19 1.638 1.061 -7.437 310 HD1 PHE 19 HD1 PHE 19 -0.138 3.632 -9.456 311 HD2 PHE 19 HD2 PHE 19 0.393 1.815 -5.644 312 HE1 PHE 19 HE1 PHE 19 -1.614 5.323 -8.448 313 HE2 PHE 19 HE2 PHE 19 -1.082 3.502 -4.630 314 HZ PHE 19 HZ PHE 19 -2.089 5.259 -6.032 315 H ARG 20 H ARG 20 4.337 0.932 -8.780 316 HA ARG 20 HA ARG 20 5.492 3.115 -7.171 317 HB2 ARG 20 HB2 ARG 20 6.142 0.172 -6.957 318 HB3 ARG 20 HB3 ARG 20 6.719 1.460 -5.909 319 HG2 ARG 20 HG2 ARG 20 5.029 0.971 -4.561 320 HG3 ARG 20 HG3 ARG 20 3.961 1.669 -5.779 321 HD2 ARG 20 HD2 ARG 20 3.090 -0.471 -5.340 322 HD3 ARG 20 HD3 ARG 20 3.954 -0.624 -6.869 323 HE ARG 20 HE ARG 20 5.727 -1.297 -4.832 324 HH11 ARG 20 HH11 ARG 20 2.756 -2.480 -6.208 325 HH12 ARG 20 HH12 ARG 20 3.081 -4.136 -5.814 326 HH21 ARG 20 HH21 ARG 20 6.166 -3.473 -4.308 327 HH22 ARG 20 HH22 ARG 20 5.020 -4.699 -4.732 328 H ARG 21 H ARG 21 5.947 0.876 -9.787 329 HA ARG 21 HA ARG 21 8.749 1.582 -10.115 330 HB2 ARG 21 HB2 ARG 21 6.994 -0.163 -11.852 331 HB3 ARG 21 HB3 ARG 21 8.745 -0.026 -11.942 332 HG2 ARG 21 HG2 ARG 21 7.347 -0.967 -9.460 333 HG3 ARG 21 HG3 ARG 21 7.794 -2.065 -10.767 334 HD2 ARG 21 HD2 ARG 21 9.955 -0.286 -9.928 335 HD3 ARG 21 HD3 ARG 21 9.391 -1.365 -8.654 336 HE ARG 21 HE ARG 21 9.707 -2.988 -10.820 337 HH11 ARG 21 HH11 ARG 21 11.761 -0.765 -9.101 338 HH12 ARG 21 HH12 ARG 21 13.217 -1.636 -9.451 339 HH21 ARG 21 HH21 ARG 21 11.617 -4.144 -11.288 340 HH22 ARG 21 HH22 ARG 21 13.134 -3.558 -10.696 341 H ASN 22 H ASN 22 5.658 2.519 -11.308 342 HA ASN 22 HA ASN 22 6.949 4.145 -13.399 343 HB2 ASN 22 HB2 ASN 22 4.972 2.291 -13.773 344 HB3 ASN 22 HB3 ASN 22 4.036 3.772 -13.594 345 HD21 ASN 22 HD21 ASN 22 4.938 5.653 -14.896 346 HD22 ASN 22 HD22 ASN 22 5.413 5.294 -16.518 347 H PHE 23 H PHE 23 4.259 4.092 -11.075 348 HA PHE 23 HA PHE 23 4.097 7.005 -11.180 349 HB2 PHE 23 HB2 PHE 23 2.369 4.892 -9.894 350 HB3 PHE 23 HB3 PHE 23 2.134 6.612 -9.601 351 HD1 PHE 23 HD1 PHE 23 1.918 8.082 -11.767 352 HD2 PHE 23 HD2 PHE 23 1.205 3.889 -11.601 353 HE1 PHE 23 HE1 PHE 23 0.538 8.240 -13.798 354 HE2 PHE 23 HE2 PHE 23 -0.175 4.040 -13.631 355 HZ PHE 23 HZ PHE 23 -0.510 6.217 -14.733 356 H GLY 24 H GLY 24 6.055 4.955 -9.678 357 HA2 GLY 24 HA2 GLY 24 6.080 6.526 -7.174 358 HA3 GLY 24 HA3 GLY 24 6.506 4.823 -7.239 359 H TYR 25 H TYR 25 8.044 4.944 -9.642 360 HA TYR 25 HA TYR 25 10.568 5.543 -8.594 361 HB2 TYR 25 HB2 TYR 25 9.565 4.336 -10.913 362 HB3 TYR 25 HB3 TYR 25 10.542 5.683 -11.486 363 HD1 TYR 25 HD1 TYR 25 10.570 2.416 -9.898 364 HD2 TYR 25 HD2 TYR 25 12.952 5.785 -10.939 365 HE1 TYR 25 HE1 TYR 25 12.605 1.079 -9.549 366 HE2 TYR 25 HE2 TYR 25 14.992 4.456 -10.595 367 HH TYR 25 HH TYR 25 15.101 1.650 -8.943 368 H THR 26 H THR 26 8.209 7.565 -10.038 369 HA THR 26 HA THR 26 9.659 9.579 -11.229 370 HB THR 26 HB THR 26 7.134 9.409 -11.049 371 HG1 THR 26 HG1 THR 26 7.995 12.013 -10.372 372 HG21 THR 26 HG21 THR 26 7.034 9.214 -8.590 373 HG22 THR 26 HG22 THR 26 6.055 10.550 -9.194 374 HG23 THR 26 HG23 THR 26 7.622 10.870 -8.451 375 H LEU 27 H LEU 27 9.251 8.898 -7.820 376 HA LEU 27 HA LEU 27 10.016 11.276 -6.658 377 HB2 LEU 27 HB2 LEU 27 9.687 8.610 -5.844 378 HB3 LEU 27 HB3 LEU 27 11.296 9.087 -5.308 379 HG LEU 27 HG LEU 27 8.673 10.382 -4.578 380 HD11 LEU 27 HD11 LEU 27 10.715 9.191 -2.734 381 HD12 LEU 27 HD12 LEU 27 9.453 8.206 -3.475 382 HD13 LEU 27 HD13 LEU 27 9.017 9.554 -2.425 383 HD21 LEU 27 HD21 LEU 27 10.290 12.132 -4.857 384 HD22 LEU 27 HD22 LEU 27 11.501 11.222 -3.953 385 HD23 LEU 27 HD23 LEU 27 10.069 11.844 -3.131 386 H ARG 28 H ARG 28 11.978 8.911 -8.315 387 HA ARG 28 HA ARG 28 14.451 10.225 -7.513 388 HB2 ARG 28 HB2 ARG 28 13.772 7.704 -8.977 389 HB3 ARG 28 HB3 ARG 28 15.373 8.406 -9.170 390 HG2 ARG 28 HG2 ARG 28 15.916 8.087 -6.926 391 HG3 ARG 28 HG3 ARG 28 14.229 7.877 -6.454 392 HD2 ARG 28 HD2 ARG 28 14.656 5.684 -6.530 393 HD3 ARG 28 HD3 ARG 28 14.592 5.868 -8.283 394 HE ARG 28 HE ARG 28 17.161 6.442 -7.733 395 HH11 ARG 28 HH11 ARG 28 15.091 3.802 -6.803 396 HH12 ARG 28 HH12 ARG 28 16.384 2.653 -6.700 397 HH21 ARG 28 HH21 ARG 28 18.872 4.939 -7.601 398 HH22 ARG 28 HH22 ARG 28 18.534 3.301 -7.154 Start of MODEL 2 1 H1 VAL 1 H VAL 1 -0.736 13.342 2.052 2 HA VAL 1 HA VAL 1 -1.912 15.706 1.136 3 HB VAL 1 HB VAL 1 1.077 15.711 0.713 4 HG11 VAL 1 HG11 VAL 1 0.465 18.121 0.011 5 HG12 VAL 1 HG12 VAL 1 0.137 16.799 -1.111 6 HG13 VAL 1 HG13 VAL 1 -1.172 17.488 -0.150 7 HG21 VAL 1 HG21 VAL 1 0.932 16.310 2.940 8 HG22 VAL 1 HG22 VAL 1 0.823 17.875 2.137 9 HG23 VAL 1 HG23 VAL 1 -0.636 17.089 2.738 10 H ALA 2 H ALA 2 -2.245 15.699 -1.098 11 HA ALA 2 HA ALA 2 -1.868 13.126 -2.353 12 HB1 ALA 2 1HB ALA 2 -3.183 14.155 -4.214 13 HB2 ALA 2 HB2 ALA 2 -3.997 14.165 -2.649 14 HB3 ALA 2 HB3 ALA 2 -3.254 15.641 -3.265 15 H ARG 3 H ARG 3 0.499 13.280 -2.411 16 HA ARG 3 HA ARG 3 1.428 14.863 -4.717 17 HB2 ARG 3 HB2 ARG 3 3.499 15.233 -3.684 18 HB3 ARG 3 HB3 ARG 3 2.332 15.467 -2.390 19 HG2 ARG 3 HG2 ARG 3 2.768 13.046 -1.762 20 HG3 ARG 3 HG3 ARG 3 4.151 13.128 -2.855 21 HD2 ARG 3 HD2 ARG 3 5.059 14.998 -1.574 22 HD3 ARG 3 HD3 ARG 3 3.669 14.938 -0.491 23 HE ARG 3 HE ARG 3 4.686 12.440 -0.323 24 HH11 ARG 3 HH11 ARG 3 6.077 15.613 0.014 25 HH12 ARG 3 HH12 ARG 3 7.284 15.105 1.148 26 HH21 ARG 3 HH21 ARG 3 6.271 11.759 1.169 27 HH22 ARG 3 HH22 ARG 3 7.394 12.913 1.804 28 H GLY 4 H GLY 4 1.117 11.765 -3.284 29 HA2 GLY 4 HA2 GLY 4 3.205 10.389 -4.594 30 HA3 GLY 4 HA3 GLY 4 1.736 9.662 -3.963 31 H TRP 5 H TRP 5 0.258 11.667 -5.785 32 HA TRP 5 HA TRP 5 0.628 10.155 -8.288 33 HB2 TRP 5 HB2 TRP 5 -2.055 11.261 -7.844 34 HB3 TRP 5 HB3 TRP 5 -1.572 9.666 -8.416 35 HD1 TRP 5 HD1 TRP 5 -0.572 8.025 -6.274 36 HE1 TRP 5 HE1 TRP 5 -1.666 7.701 -3.967 37 HE3 TRP 5 HE3 TRP 5 -3.481 12.228 -6.157 38 HZ2 TRP 5 HZ2 TRP 5 -3.518 9.048 -2.316 39 HZ3 TRP 5 HZ3 TRP 5 -4.885 12.636 -4.178 40 HH2 TRP 5 HH2 TRP 5 -4.902 11.077 -2.299 41 H LYS 6 H LYS 6 1.075 13.061 -6.935 42 HA LYS 6 HA LYS 6 0.406 14.514 -9.410 43 HB2 LYS 6 HB2 LYS 6 0.264 15.327 -6.535 44 HB3 LYS 6 HB3 LYS 6 0.599 16.552 -7.753 45 HG2 LYS 6 HG2 LYS 6 -1.768 16.464 -7.239 46 HG3 LYS 6 HG3 LYS 6 -1.472 15.976 -8.910 47 HD2 LYS 6 HD2 LYS 6 -1.864 13.712 -8.433 48 HD3 LYS 6 HD3 LYS 6 -1.694 13.960 -6.694 49 HE2 LYS 6 HE2 LYS 6 -3.909 15.136 -8.367 50 HE3 LYS 6 HE3 LYS 6 -4.045 13.625 -7.469 51 HZ1 LYS 6 HZ1 LYS 6 -4.460 14.744 -5.619 52 HZ2 LYS 6 HZ2 LYS 6 -4.522 16.172 -6.524 53 HZ3 LYS 6 HZ3 LYS 6 -3.071 15.694 -5.795 54 H ARG 7 H ARG 7 2.880 13.358 -7.459 55 HA ARG 7 HA ARG 7 4.786 15.420 -8.272 56 HB2 ARG 7 HB2 ARG 7 6.229 14.616 -6.628 57 HB3 ARG 7 HB3 ARG 7 4.642 14.396 -5.904 58 HG2 ARG 7 HG2 ARG 7 5.510 12.363 -5.433 59 HG3 ARG 7 HG3 ARG 7 4.886 12.008 -7.045 60 HD2 ARG 7 HD2 ARG 7 6.955 11.347 -7.553 61 HD3 ARG 7 HD3 ARG 7 7.390 13.056 -7.539 62 HE ARG 7 HE ARG 7 7.504 11.782 -4.958 63 HH11 ARG 7 HH11 ARG 7 9.237 12.528 -7.883 64 HH12 ARG 7 HH12 ARG 7 10.798 12.400 -7.146 65 HH21 ARG 7 HH21 ARG 7 9.555 11.610 -3.976 66 HH22 ARG 7 HH22 ARG 7 10.979 11.875 -4.924 67 H LYS 8 H LYS 8 3.884 12.127 -8.925 68 HA LYS 8 HA LYS 8 6.281 11.582 -10.465 69 HB2 LYS 8 HB2 LYS 8 3.782 9.975 -9.928 70 HB3 LYS 8 HB3 LYS 8 5.084 9.412 -10.968 71 HG2 LYS 8 HG2 LYS 8 5.432 10.160 -8.072 72 HG3 LYS 8 HG3 LYS 8 5.169 8.516 -8.657 73 HD2 LYS 8 HD2 LYS 8 7.345 10.010 -9.970 74 HD3 LYS 8 HD3 LYS 8 7.608 9.607 -8.271 75 HE2 LYS 8 HE2 LYS 8 7.559 7.334 -8.670 76 HE3 LYS 8 HE3 LYS 8 6.618 7.508 -10.151 77 HZ1 LYS 8 HZ1 LYS 8 8.597 8.489 -11.200 78 HZ2 LYS 8 HZ2 LYS 8 8.860 6.899 -10.690 79 HZ3 LYS 8 HZ3 LYS 8 9.486 8.188 -9.793 80 H CYS 9 H CYS 9 2.973 10.838 -11.457 81 HA CYS 9 HA CYS 9 3.429 12.379 -13.925 82 HB2 CYS 9 HB2 CYS 9 2.118 9.665 -13.668 83 HB3 CYS 9 HB3 CYS 9 2.172 10.618 -15.146 84 HG CYS 9 HG CYS 9 4.032 8.460 -15.203 85 HA PRO 10 HA PRO 10 -0.369 14.358 -12.844 86 HB2 PRO 10 HB2 PRO 10 -0.831 15.576 -15.226 87 HB3 PRO 10 HB3 PRO 10 0.395 16.137 -14.082 88 HG2 PRO 10 HG2 PRO 10 0.724 14.454 -16.537 89 HG3 PRO 10 HG3 PRO 10 1.719 15.807 -15.965 90 HD2 PRO 10 HD2 PRO 10 2.434 13.219 -15.609 91 HD3 PRO 10 HD3 PRO 10 2.854 14.494 -14.448 92 H LEU 11 H LEU 11 -0.418 11.549 -13.813 93 HA LEU 11 HA LEU 11 -3.039 11.626 -15.157 94 HB2 LEU 11 HB2 LEU 11 -2.503 9.563 -16.278 95 HB3 LEU 11 HB3 LEU 11 -1.272 10.773 -16.633 96 HG LEU 11 HG LEU 11 -0.122 9.495 -14.544 97 HD11 LEU 11 HD11 LEU 11 -2.268 7.849 -15.153 98 HD12 LEU 11 HD12 LEU 11 -0.842 7.420 -14.209 99 HD13 LEU 11 HD13 LEU 11 -0.887 7.081 -15.938 100 HD21 LEU 11 HD21 LEU 11 0.615 10.011 -16.990 101 HD22 LEU 11 HD22 LEU 11 0.171 8.329 -17.278 102 HD23 LEU 11 HD23 LEU 11 1.409 8.723 -16.084 103 H PHE 12 H PHE 12 -0.985 10.077 -12.769 104 HA PHE 12 HA PHE 12 -2.956 8.178 -11.929 105 HB2 PHE 12 HB2 PHE 12 -0.295 8.271 -11.619 106 HB3 PHE 12 HB3 PHE 12 -0.771 8.977 -10.079 107 HD1 PHE 12 HD1 PHE 12 -2.089 6.187 -12.180 108 HD2 PHE 12 HD2 PHE 12 -0.642 7.447 -8.381 109 HE1 PHE 12 HE1 PHE 12 -2.498 3.934 -11.281 110 HE2 PHE 12 HE2 PHE 12 -1.047 5.197 -7.476 111 HZ PHE 12 HZ PHE 12 -1.975 3.435 -8.926 112 H GLY 13 H GLY 13 -2.516 11.491 -11.414 113 HA2 GLY 13 HA2 GLY 13 -3.792 11.518 -8.795 114 HA3 GLY 13 HA3 GLY 13 -3.201 12.916 -9.681 115 H LYS 14 H LYS 14 -4.480 12.934 -11.995 116 HA LYS 14 HA LYS 14 -7.214 13.482 -11.208 117 HB2 LYS 14 HB2 LYS 14 -6.028 13.811 -13.961 118 HB3 LYS 14 HB3 LYS 14 -7.426 14.633 -13.279 119 HG2 LYS 14 HG2 LYS 14 -4.598 14.985 -12.308 120 HG3 LYS 14 HG3 LYS 14 -5.417 16.061 -13.442 121 HD2 LYS 14 HD2 LYS 14 -7.214 15.890 -11.374 122 HD3 LYS 14 HD3 LYS 14 -5.660 15.855 -10.537 123 HE2 LYS 14 HE2 LYS 14 -5.221 17.841 -12.315 124 HE3 LYS 14 HE3 LYS 14 -6.955 18.025 -12.053 125 HZ1 LYS 14 HZ1 LYS 14 -4.948 18.976 -10.445 126 HZ2 LYS 14 HZ2 LYS 14 -5.563 17.647 -9.598 127 HZ3 LYS 14 HZ3 LYS 14 -6.595 18.905 -10.063 128 H GLY 15 H GLY 15 -5.464 11.234 -13.276 129 HA2 GLY 15 HA2 GLY 15 -7.524 10.130 -14.749 130 HA3 GLY 15 HA3 GLY 15 -6.114 9.235 -14.203 131 H GLY 16 H GLY 16 -6.218 8.418 -11.920 132 HA2 GLY 16 HA2 GLY 16 -8.368 6.710 -11.568 133 HA3 GLY 16 HA3 GLY 16 -7.263 7.187 -10.287 134 H1 LYS 1 H LYS 1 -5.163 11.454 -0.346 135 HA LYS 1 HA LYS 1 -7.040 9.336 0.299 136 HB2 LYS 1 HB2 LYS 1 -7.022 11.648 -1.607 137 HB3 LYS 1 HB3 LYS 1 -8.162 10.332 -1.850 138 HG2 LYS 1 HG2 LYS 1 -7.916 11.964 0.669 139 HG3 LYS 1 HG3 LYS 1 -9.126 12.208 -0.593 140 HD2 LYS 1 HD2 LYS 1 -10.408 10.575 0.219 141 HD3 LYS 1 HD3 LYS 1 -9.050 9.449 0.265 142 HE2 LYS 1 HE2 LYS 1 -8.337 10.699 2.386 143 HE3 LYS 1 HE3 LYS 1 -9.963 11.381 2.375 144 HZ1 LYS 1 HZ1 LYS 1 -9.173 8.930 3.392 145 HZ2 LYS 1 HZ2 LYS 1 -10.085 8.582 2.010 146 HZ3 LYS 1 HZ3 LYS 1 -10.753 9.522 3.249 147 H TYR 2 H TYR 2 -5.113 7.820 -0.185 148 HA TYR 2 HA TYR 2 -4.857 7.257 -3.043 149 HB2 TYR 2 HB2 TYR 2 -3.163 5.530 -2.156 150 HB3 TYR 2 HB3 TYR 2 -2.741 7.234 -2.032 151 HD1 TYR 2 HD1 TYR 2 -3.765 4.244 -0.157 152 HD2 TYR 2 HD2 TYR 2 -2.565 8.317 0.114 153 HE1 TYR 2 HE1 TYR 2 -3.405 3.972 2.261 154 HE2 TYR 2 HE2 TYR 2 -2.201 8.056 2.533 155 HH TYR 2 HH TYR 2 -2.421 6.709 4.292 156 H GLU 3 H GLU 3 -7.367 6.740 -2.273 157 HA GLU 3 HA GLU 3 -7.450 3.803 -2.035 158 HB2 GLU 3 HB2 GLU 3 -9.250 5.907 -0.873 159 HB3 GLU 3 HB3 GLU 3 -9.845 4.278 -1.156 160 HG2 GLU 3 HG2 GLU 3 -7.751 3.555 0.191 161 HG3 GLU 3 HG3 GLU 3 -7.763 5.224 0.759 162 H ILE 4 H ILE 4 -8.028 6.437 -4.009 163 HA ILE 4 HA ILE 4 -9.903 4.878 -5.667 164 HB ILE 4 HB ILE 4 -9.703 7.886 -5.483 165 HG12 ILE 4 HG12 ILE 4 -12.299 6.888 -4.883 166 HG13 ILE 4 HG13 ILE 4 -11.143 5.980 -3.915 167 HG21 ILE 4 HG21 ILE 4 -11.994 7.408 -6.813 168 HG22 ILE 4 HG22 ILE 4 -10.449 7.714 -7.604 169 HG23 ILE 4 HG23 ILE 4 -11.015 6.058 -7.385 170 HD11 ILE 4 HD11 ILE 4 -11.108 8.974 -4.030 171 HD12 ILE 4 HD12 ILE 4 -12.125 8.084 -2.896 172 HD13 ILE 4 HD13 ILE 4 -10.372 7.906 -2.835 173 H THR 5 H THR 5 -7.069 6.934 -5.568 174 HA THR 5 HA THR 5 -6.652 6.619 -8.445 175 HB THR 5 HB THR 5 -4.518 8.050 -7.743 176 HG1 THR 5 HG1 THR 5 -6.433 8.873 -5.810 177 HG21 THR 5 HG21 THR 5 -7.253 9.319 -7.856 178 HG22 THR 5 HG22 THR 5 -6.413 8.684 -9.270 179 HG23 THR 5 HG23 THR 5 -5.718 10.024 -8.359 180 H THR 6 H THR 6 -5.920 4.983 -5.657 181 HA THR 6 HA THR 6 -3.478 3.835 -6.847 182 HB THR 6 HB THR 6 -3.784 4.977 -4.287 183 HG1 THR 6 HG1 THR 6 -1.809 3.558 -5.701 184 HG21 THR 6 HG21 THR 6 -4.802 2.833 -3.589 185 HG22 THR 6 HG22 THR 6 -3.264 3.146 -2.784 186 HG23 THR 6 HG23 THR 6 -3.344 1.994 -4.116 187 H ILE 7 H ILE 7 -6.648 3.278 -5.693 188 HA ILE 7 HA ILE 7 -6.460 0.544 -5.013 189 HB ILE 7 HB ILE 7 -8.391 1.816 -4.329 190 HG12 ILE 7 HG12 ILE 7 -8.490 -0.713 -5.202 191 HG13 ILE 7 HG13 ILE 7 -9.903 0.119 -4.564 192 HG21 ILE 7 HG21 ILE 7 -8.533 3.399 -6.138 193 HG22 ILE 7 HG22 ILE 7 -8.960 2.120 -7.272 194 HG23 ILE 7 HG23 ILE 7 -10.078 2.561 -5.983 195 HD11 ILE 7 HD11 ILE 7 -9.284 0.185 -7.486 196 HD12 ILE 7 HD12 ILE 7 -10.120 -1.188 -6.760 197 HD13 ILE 7 HD13 ILE 7 -10.826 0.425 -6.666 198 H HIS 8 H HIS 8 -7.076 2.214 -8.059 199 HA HIS 8 HA HIS 8 -7.785 -0.038 -9.589 200 HB2 HIS 8 HB2 HIS 8 -7.263 2.745 -10.051 201 HB3 HIS 8 HB3 HIS 8 -6.423 1.791 -11.270 202 HD1 HIS 8 HD1 HIS 8 -7.812 0.816 -13.123 203 HD2 HIS 8 HD2 HIS 8 -10.121 2.332 -10.019 204 HE1 HIS 8 HE1 HIS 8 -10.185 0.747 -13.953 205 H ASN 9 H ASN 9 -4.804 0.909 -8.259 206 HA ASN 9 HA ASN 9 -3.087 -0.280 -10.212 207 HB2 ASN 9 HB2 ASN 9 -1.522 0.809 -9.043 208 HB3 ASN 9 HB3 ASN 9 -2.766 1.313 -7.903 209 HD21 ASN 9 HD21 ASN 9 -3.268 -0.232 -6.157 210 HD22 ASN 9 HD22 ASN 9 -1.966 -1.148 -5.485 211 H LEU 10 H LEU 10 -5.167 -1.566 -7.930 212 HA LEU 10 HA LEU 10 -3.606 -3.875 -7.209 213 HB2 LEU 10 HB2 LEU 10 -5.322 -4.439 -5.818 214 HB3 LEU 10 HB3 LEU 10 -5.590 -2.702 -5.954 215 HG LEU 10 HG LEU 10 -7.167 -3.574 -7.956 216 HD11 LEU 10 HD11 LEU 10 -7.251 -5.818 -7.859 217 HD12 LEU 10 HD12 LEU 10 -8.383 -5.525 -6.539 218 HD13 LEU 10 HD13 LEU 10 -6.691 -5.873 -6.187 219 HD21 LEU 10 HD21 LEU 10 -7.485 -2.641 -5.260 220 HD22 LEU 10 HD22 LEU 10 -8.769 -3.781 -5.666 221 HD23 LEU 10 HD23 LEU 10 -8.505 -2.355 -6.671 222 H PHE 11 H PHE 11 -5.043 -2.970 -10.017 223 HA PHE 11 HA PHE 11 -6.323 -5.391 -10.808 224 HB2 PHE 11 HB2 PHE 11 -5.736 -2.792 -11.990 225 HB3 PHE 11 HB3 PHE 11 -5.554 -4.107 -13.147 226 HD1 PHE 11 HD1 PHE 11 -7.936 -4.004 -10.323 227 HD2 PHE 11 HD2 PHE 11 -7.405 -3.695 -14.535 228 HE1 PHE 11 HE1 PHE 11 -10.376 -4.063 -10.633 229 HE2 PHE 11 HE2 PHE 11 -9.844 -3.753 -14.851 230 HZ PHE 11 HZ PHE 11 -11.334 -3.936 -12.898 231 H ARG 12 H ARG 12 -4.553 -6.819 -10.049 232 HA ARG 12 HA ARG 12 -2.006 -6.945 -11.094 233 HB2 ARG 12 HB2 ARG 12 -2.132 -9.404 -10.642 234 HB3 ARG 12 HB3 ARG 12 -2.636 -8.394 -9.293 235 HG2 ARG 12 HG2 ARG 12 -4.961 -8.908 -10.763 236 HG3 ARG 12 HG3 ARG 12 -4.087 -10.439 -10.681 237 HD2 ARG 12 HD2 ARG 12 -3.920 -10.204 -8.247 238 HD3 ARG 12 HD3 ARG 12 -4.805 -8.681 -8.337 239 HE ARG 12 HE ARG 12 -5.902 -11.326 -8.444 240 HH11 ARG 12 HH11 ARG 12 -6.369 -8.015 -9.414 241 HH12 ARG 12 HH12 ARG 12 -8.090 -8.159 -9.545 242 HH21 ARG 12 HH21 ARG 12 -8.168 -11.529 -8.613 243 HH22 ARG 12 HH22 ARG 12 -9.112 -10.158 -9.088 244 H LYS 13 H LYS 13 -5.032 -8.006 -12.522 245 HA LYS 13 HA LYS 13 -4.001 -9.521 -14.644 246 HB2 LYS 13 HB2 LYS 13 -6.549 -7.918 -14.405 247 HB3 LYS 13 HB3 LYS 13 -6.192 -8.967 -15.770 248 HG2 LYS 13 HG2 LYS 13 -6.765 -10.799 -14.644 249 HG3 LYS 13 HG3 LYS 13 -5.856 -10.306 -13.212 250 HD2 LYS 13 HD2 LYS 13 -7.962 -10.220 -12.346 251 HD3 LYS 13 HD3 LYS 13 -7.870 -8.584 -13.002 252 HE2 LYS 13 HE2 LYS 13 -8.891 -10.820 -14.703 253 HE3 LYS 13 HE3 LYS 13 -9.947 -10.084 -13.499 254 HZ1 LYS 13 HZ1 LYS 13 -9.149 -7.895 -14.613 255 HZ2 LYS 13 HZ2 LYS 13 -10.375 -8.809 -15.336 256 HZ3 LYS 13 HZ3 LYS 13 -8.792 -8.900 -15.926 257 H LEU 14 H LEU 14 -4.461 -6.065 -14.253 258 HA LEU 14 HA LEU 14 -3.648 -5.559 -17.008 259 HB2 LEU 14 HB2 LEU 14 -5.495 -4.261 -16.145 260 HB3 LEU 14 HB3 LEU 14 -4.508 -3.703 -14.796 261 HG LEU 14 HG LEU 14 -3.044 -2.540 -16.470 262 HD11 LEU 14 HD11 LEU 14 -4.517 -2.083 -18.636 263 HD12 LEU 14 HD12 LEU 14 -5.063 -3.723 -18.288 264 HD13 LEU 14 HD13 LEU 14 -3.349 -3.401 -18.548 265 HD21 LEU 14 HD21 LEU 14 -5.769 -1.858 -15.669 266 HD22 LEU 14 HD22 LEU 14 -5.205 -0.978 -17.090 267 HD23 LEU 14 HD23 LEU 14 -4.287 -0.905 -15.585 268 H THR 15 H THR 15 -2.745 -3.896 -14.001 269 HA THR 15 HA THR 15 0.075 -4.102 -14.839 270 HB THR 15 HB THR 15 0.077 -1.921 -13.208 271 HG1 THR 15 HG1 THR 15 -2.323 -2.077 -13.290 272 HG21 THR 15 HG21 THR 15 0.002 -2.346 -16.140 273 HG22 THR 15 HG22 THR 15 1.235 -1.581 -15.137 274 HG23 THR 15 HG23 THR 15 -0.226 -0.694 -15.569 275 H HIS 16 H HIS 16 1.121 -5.455 -13.542 276 HA HIS 16 HA HIS 16 0.215 -6.207 -10.966 277 HB2 HIS 16 HB2 HIS 16 2.581 -6.782 -12.658 278 HB3 HIS 16 HB3 HIS 16 2.778 -7.033 -10.927 279 HD1 HIS 16 HD1 HIS 16 1.737 -9.098 -9.929 280 HD2 HIS 16 HD2 HIS 16 0.558 -8.436 -13.858 281 HE1 HIS 16 HE1 HIS 16 0.491 -11.173 -10.617 282 H ARG 17 H ARG 17 3.427 -4.847 -11.634 283 HA ARG 17 HA ARG 17 3.213 -3.338 -9.121 284 HB2 ARG 17 HB2 ARG 17 5.718 -4.018 -10.667 285 HB3 ARG 17 HB3 ARG 17 5.625 -3.337 -9.049 286 HG2 ARG 17 HG2 ARG 17 5.930 -5.460 -8.406 287 HG3 ARG 17 HG3 ARG 17 4.197 -5.603 -8.710 288 HD2 ARG 17 HD2 ARG 17 4.759 -6.295 -11.052 289 HD3 ARG 17 HD3 ARG 17 6.453 -6.344 -10.565 290 HE ARG 17 HE ARG 17 5.006 -7.912 -8.772 291 HH11 ARG 17 HH11 ARG 17 5.859 -7.892 -12.148 292 HH12 ARG 17 HH12 ARG 17 5.824 -9.617 -12.301 293 HH21 ARG 17 HH21 ARG 17 4.956 -10.185 -8.961 294 HH22 ARG 17 HH22 ARG 17 5.309 -10.921 -10.488 295 H LEU 18 H LEU 18 2.195 -1.484 -9.831 296 HA LEU 18 HA LEU 18 3.726 0.155 -11.743 297 HB2 LEU 18 HB2 LEU 18 1.682 1.164 -12.486 298 HB3 LEU 18 HB3 LEU 18 1.549 -0.587 -12.631 299 HG LEU 18 HG LEU 18 0.414 0.861 -10.261 300 HD11 LEU 18 HD11 LEU 18 -1.372 0.189 -12.517 301 HD12 LEU 18 HD12 LEU 18 -0.358 1.619 -12.700 302 HD13 LEU 18 HD13 LEU 18 -1.471 1.496 -11.337 303 HD21 LEU 18 HD21 LEU 18 -0.199 -1.188 -9.678 304 HD22 LEU 18 HD22 LEU 18 0.585 -1.839 -11.119 305 HD23 LEU 18 HD23 LEU 18 -1.110 -1.350 -11.180 306 H PHE 19 H PHE 19 2.457 -0.135 -8.607 307 HA PHE 19 HA PHE 19 2.510 2.736 -8.092 308 HB2 PHE 19 HB2 PHE 19 0.744 1.105 -7.161 309 HB3 PHE 19 HB3 PHE 19 2.000 0.594 -6.038 310 HD1 PHE 19 HD1 PHE 19 1.091 3.966 -7.332 311 HD2 PHE 19 HD2 PHE 19 1.427 1.397 -3.956 312 HE1 PHE 19 HE1 PHE 19 0.522 5.846 -5.850 313 HE2 PHE 19 HE2 PHE 19 0.857 3.271 -2.468 314 HZ PHE 19 HZ PHE 19 0.403 5.499 -3.414 315 H ARG 20 H ARG 20 4.399 -0.132 -7.558 316 HA ARG 20 HA ARG 20 6.287 1.401 -5.901 317 HB2 ARG 20 HB2 ARG 20 7.214 -0.840 -5.284 318 HB3 ARG 20 HB3 ARG 20 5.554 -0.578 -4.767 319 HG2 ARG 20 HG2 ARG 20 5.613 -1.783 -7.375 320 HG3 ARG 20 HG3 ARG 20 6.562 -2.730 -6.227 321 HD2 ARG 20 HD2 ARG 20 3.862 -1.743 -5.429 322 HD3 ARG 20 HD3 ARG 20 3.986 -3.140 -6.499 323 HE ARG 20 HE ARG 20 4.510 -3.080 -3.701 324 HH11 ARG 20 HH11 ARG 20 5.482 -4.578 -6.689 325 HH12 ARG 20 HH12 ARG 20 6.045 -6.030 -5.929 326 HH21 ARG 20 HH21 ARG 20 5.247 -4.986 -2.690 327 HH22 ARG 20 HH22 ARG 20 5.910 -6.261 -3.654 328 H ARG 21 H ARG 21 5.880 -0.324 -8.885 329 HA ARG 21 HA ARG 21 8.734 -0.245 -9.478 330 HB2 ARG 21 HB2 ARG 21 6.785 -2.047 -10.132 331 HB3 ARG 21 HB3 ARG 21 6.882 -1.087 -11.604 332 HG2 ARG 21 HG2 ARG 21 8.745 -2.113 -12.217 333 HG3 ARG 21 HG3 ARG 21 9.518 -1.740 -10.675 334 HD2 ARG 21 HD2 ARG 21 8.199 -3.692 -9.720 335 HD3 ARG 21 HD3 ARG 21 7.833 -4.125 -11.390 336 HE ARG 21 HE ARG 21 10.545 -3.875 -11.341 337 HH11 ARG 21 HH11 ARG 21 8.224 -5.721 -9.518 338 HH12 ARG 21 HH12 ARG 21 9.311 -7.036 -9.216 339 HH21 ARG 21 HH21 ARG 21 11.987 -5.599 -10.949 340 HH22 ARG 21 HH22 ARG 21 11.452 -6.964 -10.030 341 H ASN 22 H ASN 22 5.906 1.599 -10.004 342 HA ASN 22 HA ASN 22 7.308 3.196 -12.047 343 HB2 ASN 22 HB2 ASN 22 4.871 1.922 -12.341 344 HB3 ASN 22 HB3 ASN 22 4.411 3.575 -11.940 345 HD21 ASN 22 HD21 ASN 22 4.297 4.957 -13.551 346 HD22 ASN 22 HD22 ASN 22 5.049 4.780 -15.097 347 H PHE 23 H PHE 23 4.925 3.349 -9.413 348 HA PHE 23 HA PHE 23 5.576 6.184 -9.036 349 HB2 PHE 23 HB2 PHE 23 3.315 4.529 -7.895 350 HB3 PHE 23 HB3 PHE 23 3.558 6.249 -7.610 351 HD1 PHE 23 HD1 PHE 23 3.814 7.664 -9.857 352 HD2 PHE 23 HD2 PHE 23 1.808 3.926 -9.507 353 HE1 PHE 23 HE1 PHE 23 2.504 8.183 -11.873 354 HE2 PHE 23 HE2 PHE 23 0.495 4.438 -11.524 355 HZ PHE 23 HZ PHE 23 0.843 6.568 -12.710 356 H GLY 24 H GLY 24 6.987 3.547 -8.109 357 HA2 GLY 24 HA2 GLY 24 7.016 3.998 -5.223 358 HA3 GLY 24 HA3 GLY 24 7.799 2.676 -6.076 359 H TYR 25 H TYR 25 8.794 4.939 -7.974 360 HA TYR 25 HA TYR 25 11.398 5.082 -7.001 361 HB2 TYR 25 HB2 TYR 25 9.976 6.024 -9.273 362 HB3 TYR 25 HB3 TYR 25 10.878 7.385 -8.615 363 HD1 TYR 25 HD1 TYR 25 11.138 4.058 -10.140 364 HD2 TYR 25 HD2 TYR 25 13.297 7.404 -8.640 365 HE1 TYR 25 HE1 TYR 25 13.183 3.214 -11.215 366 HE2 TYR 25 HE2 TYR 25 15.347 6.569 -9.712 367 HH TYR 25 HH TYR 25 15.649 4.799 -11.980 368 H THR 26 H THR 26 8.619 7.008 -6.266 369 HA THR 26 HA THR 26 9.722 9.383 -5.386 370 HB THR 26 HB THR 26 7.263 8.815 -5.499 371 HG1 THR 26 HG1 THR 26 6.793 10.225 -3.737 372 HG21 THR 26 HG21 THR 26 6.187 7.697 -3.744 373 HG22 THR 26 HG22 THR 26 7.589 7.824 -2.682 374 HG23 THR 26 HG23 THR 26 7.618 6.715 -4.054 375 H LEU 27 H LEU 27 9.658 6.252 -3.810 376 HA LEU 27 HA LEU 27 10.721 7.305 -1.329 377 HB2 LEU 27 HB2 LEU 27 9.525 4.829 -2.242 378 HB3 LEU 27 HB3 LEU 27 10.972 4.540 -1.277 379 HG LEU 27 HG LEU 27 9.336 6.463 0.060 380 HD11 LEU 27 HD11 LEU 27 7.324 5.232 0.431 381 HD12 LEU 27 HD12 LEU 27 7.901 3.889 -0.556 382 HD13 LEU 27 HD13 LEU 27 7.524 5.437 -1.310 383 HD21 LEU 27 HD21 LEU 27 9.235 4.399 1.671 384 HD22 LEU 27 HD22 LEU 27 10.752 5.259 1.408 385 HD23 LEU 27 HD23 LEU 27 10.441 3.741 0.566 386 H ARG 28 H ARG 28 11.867 5.657 -4.193 387 HA ARG 28 HA ARG 28 14.560 5.455 -3.048 388 HB2 ARG 28 HB2 ARG 28 13.076 4.019 -5.150 389 HB3 ARG 28 HB3 ARG 28 14.760 4.349 -5.531 390 HG2 ARG 28 HG2 ARG 28 14.983 2.331 -4.512 391 HG3 ARG 28 HG3 ARG 28 15.140 3.388 -3.107 392 HD2 ARG 28 HD2 ARG 28 12.590 3.121 -2.889 393 HD3 ARG 28 HD3 ARG 28 12.783 1.751 -3.981 394 HE ARG 28 HE ARG 28 14.542 1.680 -1.708 395 HH11 ARG 28 HH11 ARG 28 11.380 0.863 -2.913 396 HH12 ARG 28 HH12 ARG 28 11.126 -0.408 -1.762 397 HH21 ARG 28 HH21 ARG 28 14.220 0.011 -0.188 398 HH22 ARG 28 HH22 ARG 28 12.742 -0.890 -0.211 Start of MODEL 3 1 H1 VAL 1 H VAL 1 -2.020 1.171 -21.053 2 HA VAL 1 HA VAL 1 0.354 2.120 -21.909 3 HB VAL 1 HB VAL 1 -1.745 4.089 -22.821 4 HG11 VAL 1 HG11 VAL 1 0.828 4.595 -23.897 5 HG12 VAL 1 HG12 VAL 1 -0.113 5.592 -22.786 6 HG13 VAL 1 HG13 VAL 1 1.003 4.379 -22.156 7 HG21 VAL 1 HG21 VAL 1 -1.855 2.480 -24.472 8 HG22 VAL 1 HG22 VAL 1 -0.591 3.542 -25.094 9 HG23 VAL 1 HG23 VAL 1 -0.159 2.030 -24.295 10 H ALA 2 H ALA 2 1.253 3.033 -20.182 11 HA ALA 2 HA ALA 2 -0.519 4.287 -18.193 12 HB1 ALA 2 1HB ALA 2 2.072 2.798 -17.921 13 HB2 ALA 2 HB2 ALA 2 1.456 3.835 -16.634 14 HB3 ALA 2 HB3 ALA 2 0.512 2.449 -17.177 15 H ARG 3 H ARG 3 -0.497 6.355 -19.155 16 HA ARG 3 HA ARG 3 2.085 7.761 -18.942 17 HB2 ARG 3 HB2 ARG 3 1.620 7.882 -21.213 18 HB3 ARG 3 HB3 ARG 3 -0.117 7.976 -20.956 19 HG2 ARG 3 HG2 ARG 3 0.088 10.261 -20.184 20 HG3 ARG 3 HG3 ARG 3 1.844 10.174 -20.335 21 HD2 ARG 3 HD2 ARG 3 0.086 9.612 -22.691 22 HD3 ARG 3 HD3 ARG 3 0.453 11.273 -22.229 23 HE ARG 3 HE ARG 3 2.780 9.606 -22.477 24 HH11 ARG 3 HH11 ARG 3 0.522 11.640 -24.177 25 HH12 ARG 3 HH12 ARG 3 1.621 12.007 -25.465 26 HH21 ARG 3 HH21 ARG 3 4.236 10.082 -24.166 27 HH22 ARG 3 HH22 ARG 3 3.733 11.120 -25.458 28 H GLY 4 H GLY 4 -1.205 7.604 -17.975 29 HA2 GLY 4 HA2 GLY 4 -1.654 10.283 -17.231 30 HA3 GLY 4 HA3 GLY 4 -2.471 8.883 -16.551 31 H TRP 5 H TRP 5 0.336 7.866 -15.821 32 HA TRP 5 HA TRP 5 0.687 9.568 -13.440 33 HB2 TRP 5 HB2 TRP 5 0.460 6.608 -13.706 34 HB3 TRP 5 HB3 TRP 5 1.569 7.240 -12.493 35 HD1 TRP 5 HD1 TRP 5 -2.171 7.172 -13.372 36 HE1 TRP 5 HE1 TRP 5 -3.515 7.728 -11.249 37 HE3 TRP 5 HE3 TRP 5 1.697 8.390 -10.258 38 HZ2 TRP 5 HZ2 TRP 5 -3.004 8.572 -8.605 39 HZ3 TRP 5 HZ3 TRP 5 1.184 9.062 -7.948 40 HH2 TRP 5 HH2 TRP 5 -1.118 9.151 -7.140 41 H LYS 6 H LYS 6 2.091 8.399 -16.226 42 HA LYS 6 HA LYS 6 4.813 8.445 -15.143 43 HB2 LYS 6 HB2 LYS 6 3.556 7.354 -17.615 44 HB3 LYS 6 HB3 LYS 6 5.244 7.842 -17.696 45 HG2 LYS 6 HG2 LYS 6 4.975 5.455 -17.204 46 HG3 LYS 6 HG3 LYS 6 5.810 6.318 -15.911 47 HD2 LYS 6 HD2 LYS 6 4.070 6.082 -14.445 48 HD3 LYS 6 HD3 LYS 6 2.855 6.043 -15.725 49 HE2 LYS 6 HE2 LYS 6 3.169 3.871 -14.540 50 HE3 LYS 6 HE3 LYS 6 3.418 3.787 -16.283 51 HZ1 LYS 6 HZ1 LYS 6 5.110 2.740 -14.562 52 HZ2 LYS 6 HZ2 LYS 6 5.767 4.297 -14.629 53 HZ3 LYS 6 HZ3 LYS 6 5.617 3.382 -16.044 54 H ARG 7 H ARG 7 2.582 10.360 -16.896 55 HA ARG 7 HA ARG 7 4.735 12.250 -17.589 56 HB2 ARG 7 HB2 ARG 7 3.792 11.434 -19.632 57 HB3 ARG 7 HB3 ARG 7 2.153 11.659 -19.035 58 HG2 ARG 7 HG2 ARG 7 3.468 14.164 -18.905 59 HG3 ARG 7 HG3 ARG 7 3.776 13.466 -20.496 60 HD2 ARG 7 HD2 ARG 7 1.028 13.080 -19.719 61 HD3 ARG 7 HD3 ARG 7 1.467 14.785 -19.634 62 HE ARG 7 HE ARG 7 2.276 13.467 -22.066 63 HH11 ARG 7 HH11 ARG 7 -0.250 15.224 -20.437 64 HH12 ARG 7 HH12 ARG 7 -0.996 15.770 -21.902 65 HH21 ARG 7 HH21 ARG 7 1.304 14.179 -24.003 66 HH22 ARG 7 HH22 ARG 7 -0.111 15.174 -23.931 67 H LYS 8 H LYS 8 1.457 11.844 -16.381 68 HA LYS 8 HA LYS 8 1.226 14.677 -15.757 69 HB2 LYS 8 HB2 LYS 8 -0.604 12.375 -15.917 70 HB3 LYS 8 HB3 LYS 8 -0.961 13.504 -14.616 71 HG2 LYS 8 HG2 LYS 8 -2.230 14.134 -16.536 72 HG3 LYS 8 HG3 LYS 8 -0.967 15.342 -16.287 73 HD2 LYS 8 HD2 LYS 8 -0.351 15.029 -18.403 74 HD3 LYS 8 HD3 LYS 8 0.169 13.403 -17.955 75 HE2 LYS 8 HE2 LYS 8 -2.717 13.709 -18.423 76 HE3 LYS 8 HE3 LYS 8 -1.701 13.961 -19.841 77 HZ1 LYS 8 HZ1 LYS 8 -2.467 11.542 -18.688 78 HZ2 LYS 8 HZ2 LYS 8 -0.797 11.686 -18.469 79 HZ3 LYS 8 HZ3 LYS 8 -1.457 11.783 -20.024 80 H CYS 9 H CYS 9 3.109 14.558 -14.289 81 HA CYS 9 HA CYS 9 2.880 13.098 -11.836 82 HB2 CYS 9 HB2 CYS 9 4.884 14.658 -13.177 83 HB3 CYS 9 HB3 CYS 9 4.731 15.213 -11.514 84 HG CYS 9 HG CYS 9 5.085 11.893 -12.186 85 HA PRO 10 HA PRO 10 1.993 17.429 -9.916 86 HB2 PRO 10 HB2 PRO 10 1.634 19.516 -11.615 87 HB3 PRO 10 HB3 PRO 10 3.219 19.054 -10.981 88 HG2 PRO 10 HG2 PRO 10 1.984 18.429 -13.637 89 HG3 PRO 10 HG3 PRO 10 3.644 18.932 -13.265 90 HD2 PRO 10 HD2 PRO 10 2.978 16.352 -13.746 91 HD3 PRO 10 HD3 PRO 10 4.280 16.810 -12.629 92 H LEU 11 H LEU 11 0.408 16.051 -12.570 93 HA LEU 11 HA LEU 11 -2.117 17.426 -12.015 94 HB2 LEU 11 HB2 LEU 11 -1.348 15.489 -14.193 95 HB3 LEU 11 HB3 LEU 11 -2.940 16.223 -14.016 96 HG LEU 11 HG LEU 11 -1.562 18.462 -14.175 97 HD11 LEU 11 HD11 LEU 11 0.518 18.377 -14.993 98 HD12 LEU 11 HD12 LEU 11 0.135 17.060 -16.101 99 HD13 LEU 11 HD13 LEU 11 0.512 16.712 -14.413 100 HD21 LEU 11 HD21 LEU 11 -3.153 18.236 -15.795 101 HD22 LEU 11 HD22 LEU 11 -2.594 16.636 -16.281 102 HD23 LEU 11 HD23 LEU 11 -1.703 18.073 -16.785 103 H PHE 12 H PHE 12 -1.276 14.047 -12.783 104 HA PHE 12 HA PHE 12 -3.481 13.048 -11.256 105 HB2 PHE 12 HB2 PHE 12 -1.272 11.841 -12.862 106 HB3 PHE 12 HB3 PHE 12 -2.131 10.816 -11.717 107 HD1 PHE 12 HD1 PHE 12 -3.290 13.536 -13.987 108 HD2 PHE 12 HD2 PHE 12 -3.539 9.431 -12.890 109 HE1 PHE 12 HE1 PHE 12 -5.086 13.208 -15.635 110 HE2 PHE 12 HE2 PHE 12 -5.335 9.097 -14.538 111 HZ PHE 12 HZ PHE 12 -6.111 10.987 -15.914 112 H GLY 13 H GLY 13 0.016 13.252 -10.789 113 HA2 GLY 13 HA2 GLY 13 0.147 11.713 -8.426 114 HA3 GLY 13 HA3 GLY 13 1.330 12.909 -8.939 115 H LYS 14 H LYS 14 1.528 14.695 -7.755 116 HA LYS 14 HA LYS 14 0.121 15.038 -5.350 117 HB2 LYS 14 HB2 LYS 14 1.235 17.257 -5.261 118 HB3 LYS 14 HB3 LYS 14 2.346 15.938 -5.611 119 HG2 LYS 14 HG2 LYS 14 3.044 17.500 -7.124 120 HG3 LYS 14 HG3 LYS 14 1.872 16.608 -8.099 121 HD2 LYS 14 HD2 LYS 14 0.356 18.317 -8.086 122 HD3 LYS 14 HD3 LYS 14 0.885 18.919 -6.513 123 HE2 LYS 14 HE2 LYS 14 2.541 19.145 -9.019 124 HE3 LYS 14 HE3 LYS 14 1.418 20.395 -8.486 125 HZ1 LYS 14 HZ1 LYS 14 3.513 21.010 -7.665 126 HZ2 LYS 14 HZ2 LYS 14 3.867 19.449 -7.120 127 HZ3 LYS 14 HZ3 LYS 14 2.693 20.374 -6.329 128 H GLY 15 H GLY 15 -0.694 15.886 -8.553 129 HA2 GLY 15 HA2 GLY 15 -2.410 18.104 -7.890 130 HA3 GLY 15 HA3 GLY 15 -2.292 17.303 -9.449 131 H GLY 16 H GLY 16 -2.753 14.655 -8.086 132 HA2 GLY 16 HA2 GLY 16 -5.513 14.465 -8.545 133 HA3 GLY 16 HA3 GLY 16 -4.541 13.269 -7.703 134 H1 LYS 1 H LYS 1 -9.862 11.418 -11.824 135 HA LYS 1 HA LYS 1 -8.924 11.834 -14.542 136 HB2 LYS 1 HB2 LYS 1 -7.711 12.182 -11.817 137 HB3 LYS 1 HB3 LYS 1 -6.695 12.180 -13.252 138 HG2 LYS 1 HG2 LYS 1 -9.002 13.937 -13.495 139 HG3 LYS 1 HG3 LYS 1 -7.933 14.366 -12.158 140 HD2 LYS 1 HD2 LYS 1 -6.019 14.308 -13.740 141 HD3 LYS 1 HD3 LYS 1 -7.162 14.020 -15.055 142 HE2 LYS 1 HE2 LYS 1 -8.061 16.261 -13.546 143 HE3 LYS 1 HE3 LYS 1 -6.354 16.491 -13.922 144 HZ1 LYS 1 HZ1 LYS 1 -8.093 17.295 -15.599 145 HZ2 LYS 1 HZ2 LYS 1 -8.260 15.663 -16.016 146 HZ3 LYS 1 HZ3 LYS 1 -6.762 16.431 -16.187 147 H TYR 2 H TYR 2 -7.993 9.764 -11.789 148 HA TYR 2 HA TYR 2 -6.750 7.909 -13.698 149 HB2 TYR 2 HB2 TYR 2 -5.810 6.929 -11.469 150 HB3 TYR 2 HB3 TYR 2 -5.120 8.410 -12.122 151 HD1 TYR 2 HD1 TYR 2 -7.071 6.940 -9.416 152 HD2 TYR 2 HD2 TYR 2 -5.587 10.572 -11.062 153 HE1 TYR 2 HE1 TYR 2 -7.544 8.088 -7.293 154 HE2 TYR 2 HE2 TYR 2 -6.055 11.730 -8.943 155 HH TYR 2 HH TYR 2 -7.008 11.572 -6.930 156 H GLU 3 H GLU 3 -8.818 7.038 -14.316 157 HA GLU 3 HA GLU 3 -9.920 5.190 -12.301 158 HB2 GLU 3 HB2 GLU 3 -11.428 6.444 -14.600 159 HB3 GLU 3 HB3 GLU 3 -12.095 5.401 -13.352 160 HG2 GLU 3 HG2 GLU 3 -10.840 7.538 -12.025 161 HG3 GLU 3 HG3 GLU 3 -11.766 8.236 -13.352 162 H ILE 4 H ILE 4 -8.115 5.365 -15.031 163 HA ILE 4 HA ILE 4 -9.007 2.709 -15.950 164 HB ILE 4 HB ILE 4 -7.650 4.819 -17.630 165 HG12 ILE 4 HG12 ILE 4 -10.095 4.431 -18.759 166 HG13 ILE 4 HG13 ILE 4 -10.488 4.241 -17.054 167 HG21 ILE 4 HG21 ILE 4 -8.731 2.081 -18.256 168 HG22 ILE 4 HG22 ILE 4 -8.356 3.279 -19.493 169 HG23 ILE 4 HG23 ILE 4 -7.077 2.666 -18.444 170 HD11 ILE 4 HD11 ILE 4 -8.932 6.497 -17.070 171 HD12 ILE 4 HD12 ILE 4 -9.850 6.634 -18.570 172 HD13 ILE 4 HD13 ILE 4 -10.695 6.453 -17.031 173 H THR 5 H THR 5 -6.317 4.792 -15.140 174 HA THR 5 HA THR 5 -4.403 2.636 -15.641 175 HB THR 5 HB THR 5 -3.728 4.806 -16.474 176 HG1 THR 5 HG1 THR 5 -1.772 4.322 -15.851 177 HG21 THR 5 HG21 THR 5 -5.023 6.236 -14.991 178 HG22 THR 5 HG22 THR 5 -3.321 6.691 -14.937 179 HG23 THR 5 HG23 THR 5 -4.025 5.752 -13.621 180 H THR 6 H THR 6 -6.407 3.428 -13.223 181 HA THR 6 HA THR 6 -4.483 2.650 -11.127 182 HB THR 6 HB THR 6 -5.822 4.965 -11.089 183 HG1 THR 6 HG1 THR 6 -5.368 3.284 -8.828 184 HG21 THR 6 HG21 THR 6 -7.642 3.090 -9.577 185 HG22 THR 6 HG22 THR 6 -8.021 3.789 -11.151 186 HG23 THR 6 HG23 THR 6 -7.815 4.836 -9.747 187 H ILE 7 H ILE 7 -7.626 2.106 -12.555 188 HA ILE 7 HA ILE 7 -8.782 0.433 -10.660 189 HB ILE 7 HB ILE 7 -9.913 -0.658 -12.692 190 HG12 ILE 7 HG12 ILE 7 -8.905 1.695 -14.235 191 HG13 ILE 7 HG13 ILE 7 -7.893 0.257 -14.137 192 HG21 ILE 7 HG21 ILE 7 -10.082 2.276 -12.059 193 HG22 ILE 7 HG22 ILE 7 -11.210 1.474 -13.151 194 HG23 ILE 7 HG23 ILE 7 -11.103 0.965 -11.465 195 HD11 ILE 7 HD11 ILE 7 -10.006 0.758 -15.899 196 HD12 ILE 7 HD12 ILE 7 -9.087 -0.735 -15.708 197 HD13 ILE 7 HD13 ILE 7 -10.574 -0.491 -14.791 198 H HIS 8 H HIS 8 -6.356 -0.249 -13.106 199 HA HIS 8 HA HIS 8 -6.427 -3.096 -12.671 200 HB2 HIS 8 HB2 HIS 8 -5.343 -1.346 -14.626 201 HB3 HIS 8 HB3 HIS 8 -4.004 -2.268 -13.948 202 HD1 HIS 8 HD1 HIS 8 -7.357 -2.829 -15.620 203 HD2 HIS 8 HD2 HIS 8 -3.787 -4.823 -14.884 204 HE1 HIS 8 HE1 HIS 8 -7.506 -4.977 -16.920 205 H ASN 9 H ASN 9 -5.090 -0.478 -11.045 206 HA ASN 9 HA ASN 9 -2.735 -1.843 -10.070 207 HB2 ASN 9 HB2 ASN 9 -2.070 0.253 -9.672 208 HB3 ASN 9 HB3 ASN 9 -3.651 0.851 -10.165 209 HD21 ASN 9 HD21 ASN 9 -5.328 0.917 -8.513 210 HD22 ASN 9 HD22 ASN 9 -4.874 1.244 -6.878 211 H LEU 10 H LEU 10 -6.036 -1.606 -9.219 212 HA LEU 10 HA LEU 10 -5.886 -1.951 -6.429 213 HB2 LEU 10 HB2 LEU 10 -7.961 -1.296 -7.281 214 HB3 LEU 10 HB3 LEU 10 -7.970 -2.578 -8.490 215 HG LEU 10 HG LEU 10 -8.358 -4.232 -6.716 216 HD11 LEU 10 HD11 LEU 10 -7.432 -2.236 -5.026 217 HD12 LEU 10 HD12 LEU 10 -8.119 -3.789 -4.552 218 HD13 LEU 10 HD13 LEU 10 -9.152 -2.363 -4.659 219 HD21 LEU 10 HD21 LEU 10 -10.174 -2.677 -7.894 220 HD22 LEU 10 HD22 LEU 10 -10.462 -2.206 -6.219 221 HD23 LEU 10 HD23 LEU 10 -10.603 -3.898 -6.697 222 H PHE 11 H PHE 11 -5.146 -4.062 -8.989 223 HA PHE 11 HA PHE 11 -5.734 -6.528 -7.666 224 HB2 PHE 11 HB2 PHE 11 -4.610 -5.684 -10.220 225 HB3 PHE 11 HB3 PHE 11 -3.789 -7.093 -9.559 226 HD1 PHE 11 HD1 PHE 11 -4.523 -8.728 -11.084 227 HD2 PHE 11 HD2 PHE 11 -7.354 -6.254 -9.089 228 HE1 PHE 11 HE1 PHE 11 -6.346 -10.168 -11.894 229 HE2 PHE 11 HE2 PHE 11 -9.182 -7.691 -9.894 230 HZ PHE 11 HZ PHE 11 -8.680 -9.651 -11.298 231 H ARG 12 H ARG 12 -4.685 -5.815 -5.608 232 HA ARG 12 HA ARG 12 -1.883 -5.542 -5.400 233 HB2 ARG 12 HB2 ARG 12 -2.247 -5.985 -2.980 234 HB3 ARG 12 HB3 ARG 12 -3.308 -4.743 -3.629 235 HG2 ARG 12 HG2 ARG 12 -4.939 -5.866 -2.605 236 HG3 ARG 12 HG3 ARG 12 -4.811 -6.999 -3.952 237 HD2 ARG 12 HD2 ARG 12 -4.357 -8.576 -2.448 238 HD3 ARG 12 HD3 ARG 12 -2.805 -7.778 -2.198 239 HE ARG 12 HE ARG 12 -4.616 -6.451 -0.595 240 HH11 ARG 12 HH11 ARG 12 -3.386 -9.693 -0.905 241 HH12 ARG 12 HH12 ARG 12 -3.580 -10.067 0.775 242 HH21 ARG 12 HH21 ARG 12 -4.876 -6.931 1.620 243 HH22 ARG 12 HH22 ARG 12 -4.429 -8.495 2.210 244 H LYS 13 H LYS 13 -4.028 -8.320 -5.318 245 HA LYS 13 HA LYS 13 -2.261 -10.238 -4.315 246 HB2 LYS 13 HB2 LYS 13 -4.860 -10.220 -5.310 247 HB3 LYS 13 HB3 LYS 13 -3.992 -11.285 -6.407 248 HG2 LYS 13 HG2 LYS 13 -3.290 -12.682 -4.579 249 HG3 LYS 13 HG3 LYS 13 -4.003 -11.568 -3.410 250 HD2 LYS 13 HD2 LYS 13 -5.930 -12.662 -3.567 251 HD3 LYS 13 HD3 LYS 13 -6.021 -12.234 -5.278 252 HE2 LYS 13 HE2 LYS 13 -4.515 -14.229 -5.707 253 HE3 LYS 13 HE3 LYS 13 -4.822 -14.699 -4.036 254 HZ1 LYS 13 HZ1 LYS 13 -6.423 -15.850 -5.206 255 HZ2 LYS 13 HZ2 LYS 13 -6.702 -14.594 -6.302 256 HZ3 LYS 13 HZ3 LYS 13 -7.278 -14.476 -4.717 257 H LEU 14 H LEU 14 -2.605 -8.881 -7.527 258 HA LEU 14 HA LEU 14 -0.903 -10.798 -8.805 259 HB2 LEU 14 HB2 LEU 14 -2.575 -9.646 -10.095 260 HB3 LEU 14 HB3 LEU 14 -1.886 -8.082 -9.662 261 HG LEU 14 HG LEU 14 0.176 -8.751 -10.934 262 HD11 LEU 14 HD11 LEU 14 0.298 -10.657 -12.185 263 HD12 LEU 14 HD12 LEU 14 -1.452 -10.803 -12.339 264 HD13 LEU 14 HD13 LEU 14 -0.661 -11.247 -10.827 265 HD21 LEU 14 HD21 LEU 14 -2.458 -8.054 -11.981 266 HD22 LEU 14 HD22 LEU 14 -1.387 -8.770 -13.186 267 HD23 LEU 14 HD23 LEU 14 -0.881 -7.331 -12.299 268 H THR 15 H THR 15 -0.437 -7.281 -8.474 269 HA THR 15 HA THR 15 2.432 -7.805 -8.033 270 HB THR 15 HB THR 15 2.353 -5.201 -8.874 271 HG1 THR 15 HG1 THR 15 0.500 -6.647 -10.488 272 HG21 THR 15 HG21 THR 15 2.893 -7.806 -10.231 273 HG22 THR 15 HG22 THR 15 4.009 -6.511 -9.798 274 HG23 THR 15 HG23 THR 15 2.931 -6.320 -11.181 275 H HIS 16 H HIS 16 3.125 -7.290 -6.073 276 HA HIS 16 HA HIS 16 1.632 -6.134 -4.062 277 HB2 HIS 16 HB2 HIS 16 4.509 -6.675 -4.490 278 HB3 HIS 16 HB3 HIS 16 4.128 -5.487 -3.247 279 HD1 HIS 16 HD1 HIS 16 1.805 -6.634 -1.806 280 HD2 HIS 16 HD2 HIS 16 4.909 -9.013 -3.209 281 HE1 HIS 16 HE1 HIS 16 1.727 -8.729 -0.417 282 H ARG 17 H ARG 17 4.485 -4.459 -5.362 283 HA ARG 17 HA ARG 17 3.134 -1.911 -4.881 284 HB2 ARG 17 HB2 ARG 17 6.004 -2.710 -5.272 285 HB3 ARG 17 HB3 ARG 17 5.509 -1.031 -5.444 286 HG2 ARG 17 HG2 ARG 17 5.261 -0.742 -3.233 287 HG3 ARG 17 HG3 ARG 17 4.572 -2.349 -2.996 288 HD2 ARG 17 HD2 ARG 17 6.920 -3.245 -3.370 289 HD3 ARG 17 HD3 ARG 17 7.470 -1.577 -3.212 290 HE ARG 17 HE ARG 17 7.085 -1.690 -0.950 291 HH11 ARG 17 HH11 ARG 17 5.621 -4.429 -2.523 292 HH12 ARG 17 HH12 ARG 17 5.260 -5.252 -1.042 293 HH21 ARG 17 HH21 ARG 17 6.613 -2.763 1.007 294 HH22 ARG 17 HH22 ARG 17 5.823 -4.302 0.966 295 H LEU 18 H LEU 18 1.835 -1.497 -6.598 296 HA LEU 18 HA LEU 18 3.117 -1.423 -9.249 297 HB2 LEU 18 HB2 LEU 18 0.526 -1.533 -9.902 298 HB3 LEU 18 HB3 LEU 18 1.545 -2.960 -9.727 299 HG LEU 18 HG LEU 18 0.689 -3.209 -7.401 300 HD11 LEU 18 HD11 LEU 18 0.038 -0.900 -7.001 301 HD12 LEU 18 HD12 LEU 18 -1.333 -1.985 -6.770 302 HD13 LEU 18 HD13 LEU 18 -1.208 -1.022 -8.242 303 HD21 LEU 18 HD21 LEU 18 -0.495 -3.898 -9.818 304 HD22 LEU 18 HD22 LEU 18 -1.821 -3.271 -8.837 305 HD23 LEU 18 HD23 LEU 18 -0.831 -4.602 -8.235 306 H PHE 19 H PHE 19 1.704 0.359 -6.780 307 HA PHE 19 HA PHE 19 0.901 2.538 -8.572 308 HB2 PHE 19 HB2 PHE 19 -0.469 1.580 -6.498 309 HB3 PHE 19 HB3 PHE 19 0.537 2.730 -5.622 310 HD1 PHE 19 HD1 PHE 19 -1.336 2.729 -8.854 311 HD2 PHE 19 HD2 PHE 19 -0.514 4.710 -5.177 312 HE1 PHE 19 HE1 PHE 19 -2.866 4.547 -9.495 313 HE2 PHE 19 HE2 PHE 19 -2.043 6.530 -5.811 314 HZ PHE 19 HZ PHE 19 -3.222 6.450 -7.972 315 H ARG 20 H ARG 20 3.354 1.571 -6.369 316 HA ARG 20 HA ARG 20 4.465 4.298 -6.341 317 HB2 ARG 20 HB2 ARG 20 4.775 1.976 -4.454 318 HB3 ARG 20 HB3 ARG 20 5.927 3.304 -4.467 319 HG2 ARG 20 HG2 ARG 20 4.370 4.833 -3.690 320 HG3 ARG 20 HG3 ARG 20 3.000 3.841 -4.193 321 HD2 ARG 20 HD2 ARG 20 2.939 2.797 -2.228 322 HD3 ARG 20 HD3 ARG 20 4.662 2.433 -2.302 323 HE ARG 20 HE ARG 20 3.410 4.518 -0.806 324 HH11 ARG 20 HH11 ARG 20 6.324 3.623 -2.488 325 HH12 ARG 20 HH12 ARG 20 7.340 4.673 -1.557 326 HH21 ARG 20 HH21 ARG 20 4.737 5.907 0.426 327 HH22 ARG 20 HH22 ARG 20 6.435 5.971 0.101 328 H ARG 21 H ARG 21 5.365 0.878 -6.698 329 HA ARG 21 HA ARG 21 7.999 1.520 -7.660 330 HB2 ARG 21 HB2 ARG 21 6.433 -0.982 -7.215 331 HB3 ARG 21 HB3 ARG 21 7.821 -1.046 -8.292 332 HG2 ARG 21 HG2 ARG 21 9.257 -0.210 -6.505 333 HG3 ARG 21 HG3 ARG 21 7.864 -0.133 -5.424 334 HD2 ARG 21 HD2 ARG 21 8.499 -2.196 -4.810 335 HD3 ARG 21 HD3 ARG 21 7.715 -2.698 -6.308 336 HE ARG 21 HE ARG 21 9.779 -3.161 -7.198 337 HH11 ARG 21 HH11 ARG 21 10.165 -1.287 -4.290 338 HH12 ARG 21 HH12 ARG 21 11.885 -1.492 -4.230 339 HH21 ARG 21 HH21 ARG 21 12.042 -3.440 -7.130 340 HH22 ARG 21 HH22 ARG 21 12.951 -2.717 -5.846 341 H ASN 22 H ASN 22 4.936 1.482 -9.038 342 HA ASN 22 HA ASN 22 6.085 1.211 -11.739 343 HB2 ASN 22 HB2 ASN 22 4.022 -0.296 -10.613 344 HB3 ASN 22 HB3 ASN 22 3.201 0.870 -11.648 345 HD21 ASN 22 HD21 ASN 22 2.591 -0.448 -13.268 346 HD22 ASN 22 HD22 ASN 22 3.687 -1.313 -14.285 347 H PHE 23 H PHE 23 3.279 2.640 -10.056 348 HA PHE 23 HA PHE 23 3.264 4.835 -11.977 349 HB2 PHE 23 HB2 PHE 23 1.353 4.065 -9.765 350 HB3 PHE 23 HB3 PHE 23 1.155 5.492 -10.775 351 HD1 PHE 23 HD1 PHE 23 1.423 4.884 -13.408 352 HD2 PHE 23 HD2 PHE 23 0.074 2.262 -10.338 353 HE1 PHE 23 HE1 PHE 23 0.237 3.533 -15.089 354 HE2 PHE 23 HE2 PHE 23 -1.113 0.906 -12.014 355 HZ PHE 23 HZ PHE 23 -1.033 1.540 -14.392 356 H GLY 24 H GLY 24 5.118 4.278 -9.488 357 HA2 GLY 24 HA2 GLY 24 4.917 7.029 -8.422 358 HA3 GLY 24 HA3 GLY 24 5.426 5.657 -7.448 359 H TYR 25 H TYR 25 6.984 4.579 -9.766 360 HA TYR 25 HA TYR 25 9.496 5.528 -9.085 361 HB2 TYR 25 HB2 TYR 25 8.648 3.472 -10.575 362 HB3 TYR 25 HB3 TYR 25 9.110 4.566 -11.873 363 HD1 TYR 25 HD1 TYR 25 11.500 5.598 -11.697 364 HD2 TYR 25 HD2 TYR 25 10.257 2.107 -9.608 365 HE1 TYR 25 HE1 TYR 25 13.851 4.927 -11.434 366 HE2 TYR 25 HE2 TYR 25 12.605 1.426 -9.338 367 HH TYR 25 HH TYR 25 14.798 1.862 -10.551 368 H THR 26 H THR 26 7.173 6.812 -11.319 369 HA THR 26 HA THR 26 8.728 8.346 -13.007 370 HB THR 26 HB THR 26 6.218 8.083 -13.099 371 HG1 THR 26 HG1 THR 26 7.284 10.724 -13.293 372 HG21 THR 26 HG21 THR 26 5.755 8.702 -10.761 373 HG22 THR 26 HG22 THR 26 4.856 9.708 -11.898 374 HG23 THR 26 HG23 THR 26 6.292 10.347 -11.101 375 H LEU 27 H LEU 27 7.847 8.935 -9.665 376 HA LEU 27 HA LEU 27 9.026 11.595 -9.701 377 HB2 LEU 27 HB2 LEU 27 7.506 9.979 -7.700 378 HB3 LEU 27 HB3 LEU 27 8.459 11.362 -7.166 379 HG LEU 27 HG LEU 27 6.389 11.651 -9.318 380 HD11 LEU 27 HD11 LEU 27 4.933 10.879 -7.755 381 HD12 LEU 27 HD12 LEU 27 5.049 12.554 -7.215 382 HD13 LEU 27 HD13 LEU 27 5.985 11.299 -6.403 383 HD21 LEU 27 HD21 LEU 27 7.457 13.639 -9.276 384 HD22 LEU 27 HD22 LEU 27 8.052 13.412 -7.631 385 HD23 LEU 27 HD23 LEU 27 6.388 13.932 -7.904 386 H ARG 28 H ARG 28 9.796 8.353 -8.698 387 HA ARG 28 HA ARG 28 12.257 9.297 -7.405 388 HB2 ARG 28 HB2 ARG 28 10.735 6.703 -7.260 389 HB3 ARG 28 HB3 ARG 28 12.395 6.830 -6.693 390 HG2 ARG 28 HG2 ARG 28 10.487 8.848 -5.681 391 HG3 ARG 28 HG3 ARG 28 10.286 7.191 -5.107 392 HD2 ARG 28 HD2 ARG 28 12.664 7.172 -4.440 393 HD3 ARG 28 HD3 ARG 28 12.793 8.857 -4.941 394 HE ARG 28 HE ARG 28 11.741 9.480 -3.004 395 HH11 ARG 28 HH11 ARG 28 11.302 6.062 -3.501 396 HH12 ARG 28 HH12 ARG 28 10.595 5.795 -1.942 397 HH21 ARG 28 HH21 ARG 28 10.811 9.140 -0.950 398 HH22 ARG 28 HH22 ARG 28 10.314 7.546 -0.493 Start of MODEL 4 1 H1 VAL 1 H VAL 1 11.218 7.469 -1.301 2 HA VAL 1 HA VAL 1 9.340 8.897 -0.373 3 HB VAL 1 HB VAL 1 11.281 10.024 -1.301 4 HG11 VAL 1 HG11 VAL 1 10.387 10.600 -3.946 5 HG12 VAL 1 HG12 VAL 1 11.874 9.804 -3.428 6 HG13 VAL 1 HG13 VAL 1 10.420 8.852 -3.723 7 HG21 VAL 1 HG21 VAL 1 8.913 11.389 -2.530 8 HG22 VAL 1 HG22 VAL 1 9.063 11.227 -0.781 9 HG23 VAL 1 HG23 VAL 1 10.295 12.099 -1.695 10 H ALA 2 H ALA 2 7.337 9.797 -0.752 11 HA ALA 2 HA ALA 2 5.680 8.428 -2.652 12 HB1 ALA 2 1HB ALA 2 4.775 8.953 -0.487 13 HB2 ALA 2 HB2 ALA 2 5.075 10.675 -0.735 14 HB3 ALA 2 HB3 ALA 2 3.870 9.839 -1.714 15 H ARG 3 H ARG 3 6.303 8.988 -4.716 16 HA ARG 3 HA ARG 3 5.914 11.816 -5.452 17 HB2 ARG 3 HB2 ARG 3 7.401 11.100 -7.474 18 HB3 ARG 3 HB3 ARG 3 8.152 11.483 -5.931 19 HG2 ARG 3 HG2 ARG 3 8.647 9.274 -5.471 20 HG3 ARG 3 HG3 ARG 3 7.413 8.664 -6.576 21 HD2 ARG 3 HD2 ARG 3 8.963 9.975 -8.324 22 HD3 ARG 3 HD3 ARG 3 10.178 9.563 -7.116 23 HE ARG 3 HE ARG 3 10.043 7.381 -7.785 24 HH11 ARG 3 HH11 ARG 3 7.250 9.100 -8.954 25 HH12 ARG 3 HH12 ARG 3 6.677 7.777 -9.916 26 HH21 ARG 3 HH21 ARG 3 9.299 5.632 -9.047 27 HH22 ARG 3 HH22 ARG 3 7.843 5.805 -9.968 28 H GLY 4 H GLY 4 4.990 8.551 -5.969 29 HA2 GLY 4 HA2 GLY 4 3.963 8.710 -8.586 30 HA3 GLY 4 HA3 GLY 4 3.444 7.572 -7.353 31 H TRP 5 H TRP 5 2.817 10.053 -5.644 32 HA TRP 5 HA TRP 5 0.259 10.706 -6.955 33 HB2 TRP 5 HB2 TRP 5 0.461 10.728 -3.980 34 HB3 TRP 5 HB3 TRP 5 -0.924 10.375 -5.010 35 HD1 TRP 5 HD1 TRP 5 -0.150 7.934 -6.620 36 HE1 TRP 5 HE1 TRP 5 0.456 5.682 -5.530 37 HE3 TRP 5 HE3 TRP 5 1.129 9.606 -1.961 38 HZ2 TRP 5 HZ2 TRP 5 1.357 4.740 -3.026 39 HZ3 TRP 5 HZ3 TRP 5 1.851 7.965 -0.276 40 HH2 TRP 5 HH2 TRP 5 1.962 5.583 -0.799 41 H LYS 6 H LYS 6 3.151 11.903 -5.862 42 HA LYS 6 HA LYS 6 2.039 14.540 -5.200 43 HB2 LYS 6 HB2 LYS 6 4.587 13.138 -4.544 44 HB3 LYS 6 HB3 LYS 6 4.618 14.892 -4.663 45 HG2 LYS 6 HG2 LYS 6 4.277 14.259 -2.375 46 HG3 LYS 6 HG3 LYS 6 2.800 15.001 -2.994 47 HD2 LYS 6 HD2 LYS 6 1.610 13.137 -2.665 48 HD3 LYS 6 HD3 LYS 6 2.858 12.118 -3.389 49 HE2 LYS 6 HE2 LYS 6 2.671 11.404 -1.151 50 HE3 LYS 6 HE3 LYS 6 4.136 12.384 -1.216 51 HZ1 LYS 6 HZ1 LYS 6 2.386 12.730 0.666 52 HZ2 LYS 6 HZ2 LYS 6 1.603 13.678 -0.495 53 HZ3 LYS 6 HZ3 LYS 6 3.180 14.058 -0.016 54 H ARG 7 H ARG 7 3.650 12.800 -7.655 55 HA ARG 7 HA ARG 7 4.452 15.290 -9.000 56 HB2 ARG 7 HB2 ARG 7 6.306 13.785 -8.768 57 HB3 ARG 7 HB3 ARG 7 5.359 12.437 -9.385 58 HG2 ARG 7 HG2 ARG 7 5.370 14.539 -11.318 59 HG3 ARG 7 HG3 ARG 7 7.025 14.191 -10.816 60 HD2 ARG 7 HD2 ARG 7 6.998 12.100 -11.695 61 HD3 ARG 7 HD3 ARG 7 5.285 11.863 -11.353 62 HE ARG 7 HE ARG 7 5.415 13.769 -13.344 63 HH11 ARG 7 HH11 ARG 7 6.390 10.454 -12.922 64 HH12 ARG 7 HH12 ARG 7 6.215 10.053 -14.599 65 HH21 ARG 7 HH21 ARG 7 5.181 13.253 -15.554 66 HH22 ARG 7 HH22 ARG 7 5.529 11.646 -16.095 67 H LYS 8 H LYS 8 2.520 12.387 -9.286 68 HA LYS 8 HA LYS 8 1.803 12.754 -12.021 69 HB2 LYS 8 HB2 LYS 8 0.927 10.998 -9.788 70 HB3 LYS 8 HB3 LYS 8 -0.197 11.219 -11.122 71 HG2 LYS 8 HG2 LYS 8 1.089 9.260 -11.547 72 HG3 LYS 8 HG3 LYS 8 1.610 10.511 -12.678 73 HD2 LYS 8 HD2 LYS 8 3.469 11.029 -11.037 74 HD3 LYS 8 HD3 LYS 8 3.018 9.544 -10.198 75 HE2 LYS 8 HE2 LYS 8 3.926 9.789 -13.064 76 HE3 LYS 8 HE3 LYS 8 4.857 9.124 -11.723 77 HZ1 LYS 8 HZ1 LYS 8 3.934 7.159 -12.078 78 HZ2 LYS 8 HZ2 LYS 8 3.097 7.781 -13.410 79 HZ3 LYS 8 HZ3 LYS 8 2.380 7.799 -11.876 80 H CYS 9 H CYS 9 1.213 14.997 -12.046 81 HA CYS 9 HA CYS 9 -1.008 15.952 -10.521 82 HB2 CYS 9 HB2 CYS 9 0.975 17.065 -12.255 83 HB3 CYS 9 HB3 CYS 9 -0.611 17.583 -12.813 84 HG CYS 9 HG CYS 9 1.152 18.677 -10.265 85 HA PRO 10 HA PRO 10 -3.378 15.659 -14.713 86 HB2 PRO 10 HB2 PRO 10 -2.141 14.391 -16.770 87 HB3 PRO 10 HB3 PRO 10 -1.976 16.125 -16.472 88 HG2 PRO 10 HG2 PRO 10 -0.115 13.893 -15.750 89 HG3 PRO 10 HG3 PRO 10 0.261 15.490 -16.424 90 HD2 PRO 10 HD2 PRO 10 0.546 14.915 -13.794 91 HD3 PRO 10 HD3 PRO 10 0.100 16.532 -14.374 92 H LEU 11 H LEU 11 -1.459 13.097 -13.436 93 HA LEU 11 HA LEU 11 -3.176 10.998 -14.470 94 HB2 LEU 11 HB2 LEU 11 -0.602 11.157 -13.062 95 HB3 LEU 11 HB3 LEU 11 -1.608 9.777 -12.627 96 HG LEU 11 HG LEU 11 -0.621 10.463 -15.395 97 HD11 LEU 11 HD11 LEU 11 0.291 8.595 -13.266 98 HD12 LEU 11 HD12 LEU 11 1.232 9.567 -14.398 99 HD13 LEU 11 HD13 LEU 11 0.431 8.097 -14.953 100 HD21 LEU 11 HD21 LEU 11 -1.549 8.177 -15.918 101 HD22 LEU 11 HD22 LEU 11 -2.745 9.446 -15.644 102 HD23 LEU 11 HD23 LEU 11 -2.406 8.265 -14.379 103 H PHE 12 H PHE 12 -2.054 11.712 -11.163 104 HA PHE 12 HA PHE 12 -4.289 10.443 -9.961 105 HB2 PHE 12 HB2 PHE 12 -2.247 10.538 -8.719 106 HB3 PHE 12 HB3 PHE 12 -2.168 12.291 -8.864 107 HD1 PHE 12 HD1 PHE 12 -2.436 13.298 -6.827 108 HD2 PHE 12 HD2 PHE 12 -4.824 9.904 -7.773 109 HE1 PHE 12 HE1 PHE 12 -3.612 13.531 -4.679 110 HE2 PHE 12 HE2 PHE 12 -6.004 10.132 -5.627 111 HZ PHE 12 HZ PHE 12 -5.400 11.948 -4.077 112 H GLY 13 H GLY 13 -3.865 13.511 -11.350 113 HA2 GLY 13 HA2 GLY 13 -5.956 14.767 -9.742 114 HA3 GLY 13 HA3 GLY 13 -4.988 15.549 -10.983 115 H LYS 14 H LYS 14 -5.995 16.015 -12.813 116 HA LYS 14 HA LYS 14 -8.665 15.530 -13.313 117 HB2 LYS 14 HB2 LYS 14 -8.177 16.156 -15.663 118 HB3 LYS 14 HB3 LYS 14 -7.454 17.257 -14.497 119 HG2 LYS 14 HG2 LYS 14 -5.679 16.997 -15.875 120 HG3 LYS 14 HG3 LYS 14 -5.389 15.618 -14.811 121 HD2 LYS 14 HD2 LYS 14 -5.495 14.263 -16.568 122 HD3 LYS 14 HD3 LYS 14 -7.167 14.760 -16.835 123 HE2 LYS 14 HE2 LYS 14 -6.608 16.241 -18.477 124 HE3 LYS 14 HE3 LYS 14 -5.024 16.579 -17.782 125 HZ1 LYS 14 HZ1 LYS 14 -5.839 14.426 -19.590 126 HZ2 LYS 14 HZ2 LYS 14 -4.611 14.100 -18.475 127 HZ3 LYS 14 HZ3 LYS 14 -4.428 15.358 -19.592 128 H GLY 15 H GLY 15 -5.896 13.519 -14.001 129 HA2 GLY 15 HA2 GLY 15 -6.884 11.807 -15.934 130 HA3 GLY 15 HA3 GLY 15 -5.759 11.327 -14.673 131 H GLY 16 H GLY 16 -7.751 12.009 -12.563 132 HA2 GLY 16 HA2 GLY 16 -9.077 9.433 -12.556 133 HA3 GLY 16 HA3 GLY 16 -9.053 10.600 -11.243 134 H1 LYS 1 H LYS 1 -2.029 11.291 -2.736 135 HA LYS 1 HA LYS 1 -3.350 9.524 -0.781 136 HB2 LYS 1 HB2 LYS 1 -4.325 11.889 -2.025 137 HB3 LYS 1 HB3 LYS 1 -5.231 10.531 -2.680 138 HG2 LYS 1 HG2 LYS 1 -6.184 10.014 -0.666 139 HG3 LYS 1 HG3 LYS 1 -4.851 10.702 0.265 140 HD2 LYS 1 HD2 LYS 1 -5.625 12.884 -0.012 141 HD3 LYS 1 HD3 LYS 1 -6.632 12.451 -1.395 142 HE2 LYS 1 HE2 LYS 1 -7.640 10.883 0.630 143 HE3 LYS 1 HE3 LYS 1 -7.232 12.385 1.457 144 HZ1 LYS 1 HZ1 LYS 1 -8.687 13.595 0.147 145 HZ2 LYS 1 HZ2 LYS 1 -9.540 12.159 0.407 146 HZ3 LYS 1 HZ3 LYS 1 -8.755 12.421 -1.069 147 H TYR 2 H TYR 2 -3.452 7.481 -1.414 148 HA TYR 2 HA TYR 2 -3.295 6.882 -4.288 149 HB2 TYR 2 HB2 TYR 2 -2.723 4.526 -3.351 150 HB3 TYR 2 HB3 TYR 2 -1.498 5.788 -3.291 151 HD1 TYR 2 HD1 TYR 2 -3.726 3.665 -1.334 152 HD2 TYR 2 HD2 TYR 2 -0.893 6.835 -1.159 153 HE1 TYR 2 HE1 TYR 2 -3.513 3.332 1.093 154 HE2 TYR 2 HE2 TYR 2 -0.671 6.510 1.269 155 HH TYR 2 HH TYR 2 -2.770 4.342 3.032 156 H GLU 3 H GLU 3 -5.690 7.533 -4.090 157 HA GLU 3 HA GLU 3 -7.260 5.118 -3.469 158 HB2 GLU 3 HB2 GLU 3 -7.746 7.973 -2.854 159 HB3 GLU 3 HB3 GLU 3 -9.141 7.050 -3.396 160 HG2 GLU 3 HG2 GLU 3 -7.369 6.348 -1.067 161 HG3 GLU 3 HG3 GLU 3 -8.964 7.089 -0.966 162 H ILE 4 H ILE 4 -6.655 7.744 -5.690 163 HA ILE 4 HA ILE 4 -8.539 6.539 -7.607 164 HB ILE 4 HB ILE 4 -7.398 9.336 -7.613 165 HG12 ILE 4 HG12 ILE 4 -10.021 9.724 -7.322 166 HG13 ILE 4 HG13 ILE 4 -9.917 8.145 -6.553 167 HG21 ILE 4 HG21 ILE 4 -9.414 9.521 -9.305 168 HG22 ILE 4 HG22 ILE 4 -7.817 8.989 -9.830 169 HG23 ILE 4 HG23 ILE 4 -9.083 7.802 -9.522 170 HD11 ILE 4 HD11 ILE 4 -8.600 8.931 -4.829 171 HD12 ILE 4 HD12 ILE 4 -8.059 10.338 -5.746 172 HD13 ILE 4 HD13 ILE 4 -9.706 10.274 -5.117 173 H THR 5 H THR 5 -5.247 7.637 -7.115 174 HA THR 5 HA THR 5 -4.486 6.930 -9.836 175 HB THR 5 HB THR 5 -3.493 8.948 -8.911 176 HG1 THR 5 HG1 THR 5 -1.768 8.411 -9.999 177 HG21 THR 5 HG21 THR 5 -2.326 7.124 -6.804 178 HG22 THR 5 HG22 THR 5 -3.539 8.378 -6.546 179 HG23 THR 5 HG23 THR 5 -1.903 8.820 -7.031 180 H THR 6 H THR 6 -5.011 5.250 -7.086 181 HA THR 6 HA THR 6 -2.912 3.277 -7.718 182 HB THR 6 HB THR 6 -3.322 4.548 -5.267 183 HG1 THR 6 HG1 THR 6 -1.360 3.697 -5.600 184 HG21 THR 6 HG21 THR 6 -5.297 3.064 -4.947 185 HG22 THR 6 HG22 THR 6 -4.032 2.821 -3.742 186 HG23 THR 6 HG23 THR 6 -4.220 1.672 -5.067 187 H ILE 7 H ILE 7 -6.273 3.892 -7.143 188 HA ILE 7 HA ILE 7 -7.264 1.359 -6.624 189 HB ILE 7 HB ILE 7 -8.769 3.191 -6.514 190 HG12 ILE 7 HG12 ILE 7 -9.458 0.865 -7.657 191 HG13 ILE 7 HG13 ILE 7 -10.612 2.168 -7.391 192 HG21 ILE 7 HG21 ILE 7 -9.438 4.466 -8.546 193 HG22 ILE 7 HG22 ILE 7 -7.757 4.704 -8.071 194 HG23 ILE 7 HG23 ILE 7 -8.148 3.646 -9.427 195 HD11 ILE 7 HD11 ILE 7 -10.630 2.773 -9.624 196 HD12 ILE 7 HD12 ILE 7 -9.088 1.982 -9.954 197 HD13 ILE 7 HD13 ILE 7 -10.537 1.013 -9.684 198 H HIS 8 H HIS 8 -6.424 2.834 -9.727 199 HA HIS 8 HA HIS 8 -7.308 0.574 -11.262 200 HB2 HIS 8 HB2 HIS 8 -6.389 3.247 -11.791 201 HB3 HIS 8 HB3 HIS 8 -5.492 2.108 -12.791 202 HD1 HIS 8 HD1 HIS 8 -6.806 0.833 -14.606 203 HD2 HIS 8 HD2 HIS 8 -9.119 3.479 -12.391 204 HE1 HIS 8 HE1 HIS 8 -8.975 1.042 -15.861 205 H ASN 9 H ASN 9 -4.562 1.263 -9.420 206 HA ASN 9 HA ASN 9 -2.776 -0.424 -10.980 207 HB2 ASN 9 HB2 ASN 9 -2.425 1.226 -8.482 208 HB3 ASN 9 HB3 ASN 9 -1.186 0.103 -9.035 209 HD21 ASN 9 HD21 ASN 9 -0.978 0.376 -11.613 210 HD22 ASN 9 HD22 ASN 9 -0.631 2.002 -12.082 211 H LEU 10 H LEU 10 -5.000 -0.715 -8.420 212 HA LEU 10 HA LEU 10 -3.772 -2.925 -7.078 213 HB2 LEU 10 HB2 LEU 10 -5.614 -2.942 -5.696 214 HB3 LEU 10 HB3 LEU 10 -5.541 -1.256 -6.205 215 HG LEU 10 HG LEU 10 -7.239 -2.154 -8.052 216 HD11 LEU 10 HD11 LEU 10 -7.018 -4.338 -6.234 217 HD12 LEU 10 HD12 LEU 10 -8.020 -4.193 -7.677 218 HD13 LEU 10 HD13 LEU 10 -8.640 -3.655 -6.116 219 HD21 LEU 10 HD21 LEU 10 -8.556 -1.742 -5.455 220 HD22 LEU 10 HD22 LEU 10 -8.741 -0.870 -6.977 221 HD23 LEU 10 HD23 LEU 10 -7.382 -0.507 -5.910 222 H PHE 11 H PHE 11 -5.181 -2.646 -10.063 223 HA PHE 11 HA PHE 11 -6.649 -5.095 -10.168 224 HB2 PHE 11 HB2 PHE 11 -5.928 -2.941 -12.018 225 HB3 PHE 11 HB3 PHE 11 -5.971 -4.529 -12.777 226 HD1 PHE 11 HD1 PHE 11 -8.095 -3.486 -9.951 227 HD2 PHE 11 HD2 PHE 11 -7.876 -4.207 -14.140 228 HE1 PHE 11 HE1 PHE 11 -10.547 -3.344 -10.101 229 HE2 PHE 11 HE2 PHE 11 -10.326 -4.066 -14.297 230 HZ PHE 11 HZ PHE 11 -11.666 -3.632 -12.276 231 H ARG 12 H ARG 12 -4.855 -6.326 -9.089 232 HA ARG 12 HA ARG 12 -2.408 -6.889 -10.271 233 HB2 ARG 12 HB2 ARG 12 -2.557 -9.077 -9.028 234 HB3 ARG 12 HB3 ARG 12 -2.811 -7.639 -8.047 235 HG2 ARG 12 HG2 ARG 12 -5.113 -8.027 -7.872 236 HG3 ARG 12 HG3 ARG 12 -5.103 -9.186 -9.203 237 HD2 ARG 12 HD2 ARG 12 -4.601 -10.880 -7.842 238 HD3 ARG 12 HD3 ARG 12 -3.309 -9.968 -7.065 239 HE ARG 12 HE ARG 12 -5.953 -10.379 -6.075 240 HH11 ARG 12 HH11 ARG 12 -3.287 -8.141 -6.114 241 HH12 ARG 12 HH12 ARG 12 -3.711 -7.406 -4.603 242 HH21 ARG 12 HH21 ARG 12 -6.522 -9.420 -4.085 243 HH22 ARG 12 HH22 ARG 12 -5.552 -8.135 -3.450 244 H LYS 13 H LYS 13 -5.590 -7.964 -11.127 245 HA LYS 13 HA LYS 13 -4.865 -10.241 -12.646 246 HB2 LYS 13 HB2 LYS 13 -7.177 -9.658 -11.799 247 HB3 LYS 13 HB3 LYS 13 -7.275 -8.480 -13.100 248 HG2 LYS 13 HG2 LYS 13 -6.473 -11.051 -14.117 249 HG3 LYS 13 HG3 LYS 13 -7.975 -11.175 -13.197 250 HD2 LYS 13 HD2 LYS 13 -7.631 -8.983 -15.202 251 HD3 LYS 13 HD3 LYS 13 -8.048 -10.610 -15.743 252 HE2 LYS 13 HE2 LYS 13 -9.896 -10.462 -13.927 253 HE3 LYS 13 HE3 LYS 13 -9.610 -8.725 -14.018 254 HZ1 LYS 13 HZ1 LYS 13 -10.050 -8.848 -16.415 255 HZ2 LYS 13 HZ2 LYS 13 -11.383 -9.342 -15.498 256 HZ3 LYS 13 HZ3 LYS 13 -10.411 -10.494 -16.265 257 H LEU 14 H LEU 14 -4.912 -6.827 -13.322 258 HA LEU 14 HA LEU 14 -4.352 -7.332 -16.158 259 HB2 LEU 14 HB2 LEU 14 -5.456 -5.057 -14.618 260 HB3 LEU 14 HB3 LEU 14 -4.473 -4.663 -16.028 261 HG LEU 14 HG LEU 14 -6.976 -6.350 -16.032 262 HD11 LEU 14 HD11 LEU 14 -6.916 -3.882 -17.583 263 HD12 LEU 14 HD12 LEU 14 -6.790 -3.625 -15.843 264 HD13 LEU 14 HD13 LEU 14 -8.159 -4.517 -16.505 265 HD21 LEU 14 HD21 LEU 14 -5.899 -7.206 -17.840 266 HD22 LEU 14 HD22 LEU 14 -4.898 -5.771 -18.066 267 HD23 LEU 14 HD23 LEU 14 -6.582 -5.765 -18.595 268 H THR 15 H THR 15 -3.269 -4.706 -14.036 269 HA THR 15 HA THR 15 -0.492 -5.361 -14.780 270 HB THR 15 HB THR 15 -0.357 -2.711 -14.159 271 HG1 THR 15 HG1 THR 15 -2.190 -1.901 -15.565 272 HG21 THR 15 HG21 THR 15 -0.614 -4.228 -16.712 273 HG22 THR 15 HG22 THR 15 0.759 -3.326 -16.071 274 HG23 THR 15 HG23 THR 15 -0.610 -2.466 -16.775 275 H HIS 16 H HIS 16 0.724 -5.938 -13.113 276 HA HIS 16 HA HIS 16 0.078 -4.845 -10.453 277 HB2 HIS 16 HB2 HIS 16 1.240 -7.060 -9.678 278 HB3 HIS 16 HB3 HIS 16 -0.449 -7.084 -10.178 279 HD1 HIS 16 HD1 HIS 16 -0.911 -8.017 -12.635 280 HD2 HIS 16 HD2 HIS 16 2.909 -8.671 -11.137 281 HE1 HIS 16 HE1 HIS 16 0.089 -9.801 -14.098 282 H ARG 17 H ARG 17 2.084 -4.243 -12.756 283 HA ARG 17 HA ARG 17 4.571 -4.423 -11.216 284 HB2 ARG 17 HB2 ARG 17 4.161 -3.599 -14.096 285 HB3 ARG 17 HB3 ARG 17 5.706 -3.859 -13.298 286 HG2 ARG 17 HG2 ARG 17 3.651 -6.031 -13.549 287 HG3 ARG 17 HG3 ARG 17 4.853 -5.713 -14.800 288 HD2 ARG 17 HD2 ARG 17 5.658 -6.128 -11.943 289 HD3 ARG 17 HD3 ARG 17 5.370 -7.497 -13.014 290 HE ARG 17 HE ARG 17 7.638 -5.757 -13.019 291 HH11 ARG 17 HH11 ARG 17 5.634 -7.786 -15.015 292 HH12 ARG 17 HH12 ARG 17 6.876 -8.084 -16.186 293 HH21 ARG 17 HH21 ARG 17 9.282 -6.142 -14.553 294 HH22 ARG 17 HH22 ARG 17 8.951 -7.149 -15.921 295 H LEU 18 H LEU 18 2.299 -2.138 -12.577 296 HA LEU 18 HA LEU 18 3.954 0.128 -11.781 297 HB2 LEU 18 HB2 LEU 18 1.884 1.383 -12.726 298 HB3 LEU 18 HB3 LEU 18 3.023 0.606 -13.822 299 HG LEU 18 HG LEU 18 0.663 -0.978 -12.977 300 HD11 LEU 18 HD11 LEU 18 0.104 0.691 -15.295 301 HD12 LEU 18 HD12 LEU 18 0.220 1.607 -13.793 302 HD13 LEU 18 HD13 LEU 18 -0.923 0.270 -13.926 303 HD21 LEU 18 HD21 LEU 18 1.014 -1.059 -15.725 304 HD22 LEU 18 HD22 LEU 18 1.596 -2.243 -14.555 305 HD23 LEU 18 HD23 LEU 18 2.652 -0.932 -15.082 306 H PHE 19 H PHE 19 2.704 -1.710 -9.823 307 HA PHE 19 HA PHE 19 1.069 0.272 -8.379 308 HB2 PHE 19 HB2 PHE 19 -0.258 -1.690 -9.066 309 HB3 PHE 19 HB3 PHE 19 0.869 -2.743 -8.217 310 HD1 PHE 19 HD1 PHE 19 -0.507 -3.705 -6.592 311 HD2 PHE 19 HD2 PHE 19 -0.445 0.524 -7.071 312 HE1 PHE 19 HE1 PHE 19 -1.828 -3.455 -4.531 313 HE2 PHE 19 HE2 PHE 19 -1.765 0.781 -5.010 314 HZ PHE 19 HZ PHE 19 -2.457 -1.211 -3.737 315 H ARG 20 H ARG 20 3.390 -2.384 -8.057 316 HA ARG 20 HA ARG 20 4.168 -1.291 -5.434 317 HB2 ARG 20 HB2 ARG 20 4.987 -3.512 -4.860 318 HB3 ARG 20 HB3 ARG 20 3.294 -3.587 -5.330 319 HG2 ARG 20 HG2 ARG 20 4.272 -4.157 -7.683 320 HG3 ARG 20 HG3 ARG 20 5.703 -4.608 -6.752 321 HD2 ARG 20 HD2 ARG 20 4.395 -6.164 -5.437 322 HD3 ARG 20 HD3 ARG 20 2.919 -5.658 -6.257 323 HE ARG 20 HE ARG 20 3.467 -7.032 -8.000 324 HH11 ARG 20 HH11 ARG 20 6.301 -6.495 -6.049 325 HH12 ARG 20 HH12 ARG 20 7.268 -7.651 -6.904 326 HH21 ARG 20 HH21 ARG 20 4.729 -8.557 -9.132 327 HH22 ARG 20 HH22 ARG 20 6.373 -8.823 -8.658 328 H ARG 21 H ARG 21 5.272 -2.340 -8.578 329 HA ARG 21 HA ARG 21 8.067 -1.998 -7.921 330 HB2 ARG 21 HB2 ARG 21 6.787 -3.523 -9.766 331 HB3 ARG 21 HB3 ARG 21 7.271 -2.155 -10.758 332 HG2 ARG 21 HG2 ARG 21 9.388 -2.823 -10.808 333 HG3 ARG 21 HG3 ARG 21 9.429 -3.080 -9.063 334 HD2 ARG 21 HD2 ARG 21 9.118 -5.285 -9.275 335 HD3 ARG 21 HD3 ARG 21 7.842 -5.074 -10.473 336 HE ARG 21 HE ARG 21 10.184 -4.513 -11.794 337 HH11 ARG 21 HH11 ARG 21 8.874 -7.224 -10.047 338 HH12 ARG 21 HH12 ARG 21 9.737 -8.405 -10.975 339 HH21 ARG 21 HH21 ARG 21 11.325 -6.058 -13.023 340 HH22 ARG 21 HH22 ARG 21 11.131 -7.741 -12.667 341 H ASN 22 H ASN 22 5.515 0.008 -8.830 342 HA ASN 22 HA ASN 22 7.402 2.084 -9.736 343 HB2 ASN 22 HB2 ASN 22 4.540 1.603 -10.584 344 HB3 ASN 22 HB3 ASN 22 5.430 3.077 -10.957 345 HD21 ASN 22 HD21 ASN 22 4.998 2.483 -13.174 346 HD22 ASN 22 HD22 ASN 22 6.041 1.359 -13.969 347 H PHE 23 H PHE 23 4.123 1.754 -8.361 348 HA PHE 23 HA PHE 23 4.515 4.233 -6.875 349 HB2 PHE 23 HB2 PHE 23 2.082 2.462 -7.193 350 HB3 PHE 23 HB3 PHE 23 2.111 3.973 -6.290 351 HD1 PHE 23 HD1 PHE 23 3.672 5.720 -8.025 352 HD2 PHE 23 HD2 PHE 23 0.707 2.830 -9.010 353 HE1 PHE 23 HE1 PHE 23 3.151 6.961 -10.085 354 HE2 PHE 23 HE2 PHE 23 0.182 4.066 -11.071 355 HZ PHE 23 HZ PHE 23 1.406 6.133 -11.612 356 H GLY 24 H GLY 24 5.616 1.350 -6.326 357 HA2 GLY 24 HA2 GLY 24 4.690 1.136 -3.538 358 HA3 GLY 24 HA3 GLY 24 5.457 -0.154 -4.453 359 H TYR 25 H TYR 25 7.251 2.339 -5.332 360 HA TYR 25 HA TYR 25 9.500 1.622 -3.845 361 HB2 TYR 25 HB2 TYR 25 9.045 3.207 -6.025 362 HB3 TYR 25 HB3 TYR 25 9.475 4.404 -4.808 363 HD1 TYR 25 HD1 TYR 25 11.699 4.980 -4.686 364 HD2 TYR 25 HD2 TYR 25 10.678 1.052 -5.962 365 HE1 TYR 25 HE1 TYR 25 14.083 4.479 -5.028 366 HE2 TYR 25 HE2 TYR 25 13.059 0.539 -6.306 367 HH TYR 25 HH TYR 25 15.555 2.522 -5.135 368 H THR 26 H THR 26 6.887 3.727 -3.075 369 HA THR 26 HA THR 26 7.982 5.525 -1.298 370 HB THR 26 HB THR 26 5.519 4.503 -0.200 371 HG1 THR 26 HG1 THR 26 4.239 4.625 -2.035 372 HG21 THR 26 HG21 THR 26 6.642 7.008 -1.262 373 HG22 THR 26 HG22 THR 26 5.660 6.724 0.175 374 HG23 THR 26 HG23 THR 26 4.892 6.850 -1.406 375 H LEU 27 H LEU 27 9.176 5.264 0.462 376 HA LEU 27 HA LEU 27 8.952 2.748 1.965 377 HB2 LEU 27 HB2 LEU 27 11.188 4.750 2.139 378 HB3 LEU 27 HB3 LEU 27 11.177 3.085 2.716 379 HG LEU 27 HG LEU 27 11.161 3.933 -0.180 380 HD11 LEU 27 HD11 LEU 27 13.331 4.319 0.238 381 HD12 LEU 27 HD12 LEU 27 13.463 2.561 0.216 382 HD13 LEU 27 HD13 LEU 27 13.308 3.414 1.752 383 HD21 LEU 27 HD21 LEU 27 10.103 1.870 -0.160 384 HD22 LEU 27 HD22 LEU 27 11.059 1.278 1.199 385 HD23 LEU 27 HD23 LEU 27 11.797 1.436 -0.395 386 H ARG 28 H ARG 28 7.068 3.523 3.093 387 HA ARG 28 HA ARG 28 6.888 5.853 4.585 388 HB2 ARG 28 HB2 ARG 28 5.387 3.480 4.285 389 HB3 ARG 28 HB3 ARG 28 5.643 3.690 6.011 390 HG2 ARG 28 HG2 ARG 28 4.879 6.136 5.548 391 HG3 ARG 28 HG3 ARG 28 4.178 5.433 4.090 392 HD2 ARG 28 HD2 ARG 28 2.906 3.859 5.429 393 HD3 ARG 28 HD3 ARG 28 3.657 4.474 6.901 394 HE ARG 28 HE ARG 28 2.411 6.601 5.562 395 HH11 ARG 28 HH11 ARG 28 1.601 3.694 7.298 396 HH12 ARG 28 HH12 ARG 28 0.072 4.294 7.851 397 HH21 ARG 28 HH21 ARG 28 0.401 7.403 6.283 398 HH22 ARG 28 HH22 ARG 28 -0.609 6.404 7.271 Start of MODEL 5 1 H1 VAL 1 H VAL 1 2.209 1.159 -22.978 2 HA VAL 1 HA VAL 1 1.093 3.210 -22.915 3 HB VAL 1 HB VAL 1 -1.369 2.776 -22.773 4 HG11 VAL 1 HG11 VAL 1 -0.305 2.553 -24.894 5 HG12 VAL 1 HG12 VAL 1 0.333 0.963 -24.472 6 HG13 VAL 1 HG13 VAL 1 -1.402 1.185 -24.708 7 HG21 VAL 1 HG21 VAL 1 -2.209 0.950 -21.812 8 HG22 VAL 1 HG22 VAL 1 -1.132 -0.109 -22.723 9 HG23 VAL 1 HG23 VAL 1 -0.585 0.617 -21.212 10 H ALA 2 H ALA 2 2.373 2.900 -20.437 11 HA ALA 2 HA ALA 2 0.365 3.638 -18.438 12 HB1 ALA 2 1HB ALA 2 2.325 3.510 -16.858 13 HB2 ALA 2 HB2 ALA 2 1.871 1.995 -17.639 14 HB3 ALA 2 HB3 ALA 2 3.272 2.898 -18.214 15 H ARG 3 H ARG 3 -0.161 5.731 -19.055 16 HA ARG 3 HA ARG 3 2.019 7.702 -18.829 17 HB2 ARG 3 HB2 ARG 3 0.302 9.160 -20.162 18 HB3 ARG 3 HB3 ARG 3 1.315 7.998 -21.009 19 HG2 ARG 3 HG2 ARG 3 -0.514 6.402 -21.053 20 HG3 ARG 3 HG3 ARG 3 -1.531 7.525 -20.147 21 HD2 ARG 3 HD2 ARG 3 -0.407 7.915 -22.917 22 HD3 ARG 3 HD3 ARG 3 -2.096 7.655 -22.483 23 HE ARG 3 HE ARG 3 -0.662 10.125 -22.408 24 HH11 ARG 3 HH11 ARG 3 -3.253 8.327 -20.934 25 HH12 ARG 3 HH12 ARG 3 -4.102 9.738 -20.397 26 HH21 ARG 3 HH21 ARG 3 -1.771 11.992 -21.707 27 HH22 ARG 3 HH22 ARG 3 -3.258 11.823 -20.839 28 H GLY 4 H GLY 4 -1.006 6.618 -17.633 29 HA2 GLY 4 HA2 GLY 4 -1.957 9.026 -16.485 30 HA3 GLY 4 HA3 GLY 4 -2.413 7.401 -15.995 31 H TRP 5 H TRP 5 0.639 6.982 -15.618 32 HA TRP 5 HA TRP 5 0.798 8.304 -12.989 33 HB2 TRP 5 HB2 TRP 5 2.225 5.732 -13.363 34 HB3 TRP 5 HB3 TRP 5 1.389 6.364 -11.947 35 HD1 TRP 5 HD1 TRP 5 -1.508 6.504 -12.568 36 HE1 TRP 5 HE1 TRP 5 -2.908 4.501 -13.377 37 HE3 TRP 5 HE3 TRP 5 2.256 3.571 -14.403 38 HZ2 TRP 5 HZ2 TRP 5 -2.475 2.007 -14.625 39 HZ3 TRP 5 HZ3 TRP 5 1.678 1.391 -15.388 40 HH2 TRP 5 HH2 TRP 5 -0.638 0.627 -15.495 41 H LYS 6 H LYS 6 2.144 8.072 -16.003 42 HA LYS 6 HA LYS 6 4.862 8.659 -15.049 43 HB2 LYS 6 HB2 LYS 6 3.765 7.586 -17.619 44 HB3 LYS 6 HB3 LYS 6 5.308 8.430 -17.629 45 HG2 LYS 6 HG2 LYS 6 5.664 6.053 -17.452 46 HG3 LYS 6 HG3 LYS 6 6.165 6.846 -15.958 47 HD2 LYS 6 HD2 LYS 6 4.084 6.194 -14.887 48 HD3 LYS 6 HD3 LYS 6 3.518 5.463 -16.390 49 HE2 LYS 6 HE2 LYS 6 6.028 4.600 -14.969 50 HE3 LYS 6 HE3 LYS 6 4.452 3.865 -14.681 51 HZ1 LYS 6 HZ1 LYS 6 6.281 3.315 -16.734 52 HZ2 LYS 6 HZ2 LYS 6 4.874 3.935 -17.439 53 HZ3 LYS 6 HZ3 LYS 6 4.787 2.579 -16.433 54 H ARG 7 H ARG 7 2.067 10.112 -16.287 55 HA ARG 7 HA ARG 7 3.591 12.513 -17.061 56 HB2 ARG 7 HB2 ARG 7 2.425 11.716 -18.983 57 HB3 ARG 7 HB3 ARG 7 0.946 11.470 -18.064 58 HG2 ARG 7 HG2 ARG 7 1.756 14.209 -17.867 59 HG3 ARG 7 HG3 ARG 7 1.691 13.719 -19.562 60 HD2 ARG 7 HD2 ARG 7 -0.575 13.058 -19.381 61 HD3 ARG 7 HD3 ARG 7 -0.533 13.150 -17.620 62 HE ARG 7 HE ARG 7 -0.925 15.325 -19.466 63 HH11 ARG 7 HH11 ARG 7 0.057 14.420 -16.251 64 HH12 ARG 7 HH12 ARG 7 -0.290 15.972 -15.567 65 HH21 ARG 7 HH21 ARG 7 -1.387 17.374 -18.577 66 HH22 ARG 7 HH22 ARG 7 -1.113 17.652 -16.890 67 H LYS 8 H LYS 8 0.814 11.257 -15.306 68 HA LYS 8 HA LYS 8 -0.063 13.825 -14.379 69 HB2 LYS 8 HB2 LYS 8 -0.740 11.076 -13.318 70 HB3 LYS 8 HB3 LYS 8 -1.609 12.565 -12.973 71 HG2 LYS 8 HG2 LYS 8 -1.300 11.644 -15.796 72 HG3 LYS 8 HG3 LYS 8 -2.523 10.916 -14.751 73 HD2 LYS 8 HD2 LYS 8 -3.507 13.097 -14.339 74 HD3 LYS 8 HD3 LYS 8 -2.245 13.871 -15.302 75 HE2 LYS 8 HE2 LYS 8 -3.624 13.666 -17.040 76 HE3 LYS 8 HE3 LYS 8 -3.271 11.940 -16.992 77 HZ1 LYS 8 HZ1 LYS 8 -5.676 12.505 -16.984 78 HZ2 LYS 8 HZ2 LYS 8 -5.471 13.207 -15.459 79 HZ3 LYS 8 HZ3 LYS 8 -5.191 11.553 -15.672 80 H CYS 9 H CYS 9 2.158 14.435 -13.642 81 HA CYS 9 HA CYS 9 3.240 13.196 -11.307 82 HB2 CYS 9 HB2 CYS 9 3.968 15.353 -13.115 83 HB3 CYS 9 HB3 CYS 9 4.298 15.771 -11.438 84 HG CYS 9 HG CYS 9 6.643 14.787 -12.608 85 HA PRO 10 HA PRO 10 1.547 17.084 -9.015 86 HB2 PRO 10 HB2 PRO 10 -0.067 18.767 -10.407 87 HB3 PRO 10 HB3 PRO 10 1.691 18.944 -10.356 88 HG2 PRO 10 HG2 PRO 10 -0.029 17.711 -12.474 89 HG3 PRO 10 HG3 PRO 10 1.364 18.794 -12.654 90 HD2 PRO 10 HD2 PRO 10 1.548 16.114 -12.997 91 HD3 PRO 10 HD3 PRO 10 2.886 17.089 -12.358 92 H LEU 11 H LEU 11 -0.274 15.128 -11.145 93 HA LEU 11 HA LEU 11 -2.756 15.517 -9.647 94 HB2 LEU 11 HB2 LEU 11 -2.036 14.390 -12.286 95 HB3 LEU 11 HB3 LEU 11 -3.405 13.651 -11.458 96 HG LEU 11 HG LEU 11 -3.338 16.617 -11.784 97 HD11 LEU 11 HD11 LEU 11 -4.456 14.855 -13.933 98 HD12 LEU 11 HD12 LEU 11 -2.788 15.423 -13.992 99 HD13 LEU 11 HD13 LEU 11 -4.114 16.585 -13.975 100 HD21 LEU 11 HD21 LEU 11 -5.068 15.072 -10.523 101 HD22 LEU 11 HD22 LEU 11 -5.723 14.880 -12.150 102 HD23 LEU 11 HD23 LEU 11 -5.592 16.487 -11.437 103 H PHE 12 H PHE 12 -1.135 12.630 -10.967 104 HA PHE 12 HA PHE 12 -2.225 10.906 -9.003 105 HB2 PHE 12 HB2 PHE 12 -1.257 10.378 -11.374 106 HB3 PHE 12 HB3 PHE 12 0.275 10.239 -10.519 107 HD1 PHE 12 HD1 PHE 12 -2.880 8.675 -11.272 108 HD2 PHE 12 HD2 PHE 12 0.522 8.535 -8.717 109 HE1 PHE 12 HE1 PHE 12 -3.446 6.362 -10.649 110 HE2 PHE 12 HE2 PHE 12 -0.039 6.223 -8.092 111 HZ PHE 12 HZ PHE 12 -2.024 5.133 -9.058 112 H GLY 13 H GLY 13 0.318 13.119 -8.877 113 HA2 GLY 13 HA2 GLY 13 2.140 11.802 -7.171 114 HA3 GLY 13 HA3 GLY 13 1.967 13.543 -7.338 115 H LYS 14 H LYS 14 0.274 14.595 -6.076 116 HA LYS 14 HA LYS 14 0.208 13.531 -3.397 117 HB2 LYS 14 HB2 LYS 14 -0.985 15.664 -2.874 118 HB3 LYS 14 HB3 LYS 14 0.584 15.889 -3.635 119 HG2 LYS 14 HG2 LYS 14 -1.500 15.752 -5.616 120 HG3 LYS 14 HG3 LYS 14 -1.849 16.996 -4.414 121 HD2 LYS 14 HD2 LYS 14 0.828 16.747 -5.768 122 HD3 LYS 14 HD3 LYS 14 -0.488 17.720 -6.430 123 HE2 LYS 14 HE2 LYS 14 -0.020 18.249 -3.611 124 HE3 LYS 14 HE3 LYS 14 1.411 18.548 -4.597 125 HZ1 LYS 14 HZ1 LYS 14 -1.280 19.749 -4.934 126 HZ2 LYS 14 HZ2 LYS 14 -0.036 19.913 -6.066 127 HZ3 LYS 14 HZ3 LYS 14 0.151 20.543 -4.507 128 H GLY 15 H GLY 15 -1.838 13.469 -6.134 129 HA2 GLY 15 HA2 GLY 15 -4.314 13.174 -4.688 130 HA3 GLY 15 HA3 GLY 15 -4.075 12.936 -6.414 131 H GLY 16 H GLY 16 -3.653 11.433 -3.242 132 HA2 GLY 16 HA2 GLY 16 -3.496 8.807 -4.571 133 HA3 GLY 16 HA3 GLY 16 -2.949 9.147 -2.935 134 H1 LYS 1 H LYS 1 -9.365 10.189 -11.856 135 HA LYS 1 HA LYS 1 -8.209 9.580 -14.498 136 HB2 LYS 1 HB2 LYS 1 -6.878 11.084 -12.240 137 HB3 LYS 1 HB3 LYS 1 -6.225 10.813 -13.850 138 HG2 LYS 1 HG2 LYS 1 -8.628 12.485 -13.147 139 HG3 LYS 1 HG3 LYS 1 -7.044 13.070 -13.661 140 HD2 LYS 1 HD2 LYS 1 -7.532 11.514 -15.739 141 HD3 LYS 1 HD3 LYS 1 -9.208 11.781 -15.250 142 HE2 LYS 1 HE2 LYS 1 -7.818 14.271 -15.185 143 HE3 LYS 1 HE3 LYS 1 -7.513 13.493 -16.737 144 HZ1 LYS 1 HZ1 LYS 1 -9.801 13.394 -17.200 145 HZ2 LYS 1 HZ2 LYS 1 -9.536 14.956 -16.607 146 HZ3 LYS 1 HZ3 LYS 1 -10.237 13.781 -15.611 147 H TYR 2 H TYR 2 -7.471 9.316 -11.017 148 HA TYR 2 HA TYR 2 -5.923 6.897 -11.552 149 HB2 TYR 2 HB2 TYR 2 -5.342 7.103 -9.096 150 HB3 TYR 2 HB3 TYR 2 -4.793 8.426 -10.120 151 HD1 TYR 2 HD1 TYR 2 -5.634 10.649 -9.828 152 HD2 TYR 2 HD2 TYR 2 -7.243 7.434 -7.554 153 HE1 TYR 2 HE1 TYR 2 -6.767 12.264 -8.359 154 HE2 TYR 2 HE2 TYR 2 -8.381 9.038 -6.078 155 HH TYR 2 HH TYR 2 -7.839 12.501 -6.365 156 H GLU 3 H GLU 3 -8.918 7.079 -11.648 157 HA GLU 3 HA GLU 3 -9.495 4.992 -9.650 158 HB2 GLU 3 HB2 GLU 3 -11.184 7.259 -10.655 159 HB3 GLU 3 HB3 GLU 3 -11.936 5.805 -10.014 160 HG2 GLU 3 HG2 GLU 3 -10.484 6.175 -7.950 161 HG3 GLU 3 HG3 GLU 3 -10.197 7.790 -8.596 162 H ILE 4 H ILE 4 -9.176 5.698 -12.905 163 HA ILE 4 HA ILE 4 -10.818 3.368 -13.658 164 HB ILE 4 HB ILE 4 -10.101 5.749 -15.372 165 HG12 ILE 4 HG12 ILE 4 -12.799 5.695 -15.313 166 HG13 ILE 4 HG13 ILE 4 -12.456 5.040 -13.716 167 HG21 ILE 4 HG21 ILE 4 -11.728 3.285 -15.978 168 HG22 ILE 4 HG22 ILE 4 -11.648 4.712 -17.009 169 HG23 ILE 4 HG23 ILE 4 -10.196 3.755 -16.714 170 HD11 ILE 4 HD11 ILE 4 -12.391 7.173 -13.078 171 HD12 ILE 4 HD12 ILE 4 -10.790 7.195 -13.818 172 HD13 ILE 4 HD13 ILE 4 -12.190 7.758 -14.729 173 H THR 5 H THR 5 -7.722 4.922 -13.825 174 HA THR 5 HA THR 5 -6.689 2.871 -15.645 175 HB THR 5 HB THR 5 -4.763 4.843 -14.665 176 HG1 THR 5 HG1 THR 5 -6.133 6.466 -14.809 177 HG21 THR 5 HG21 THR 5 -5.696 3.838 -17.343 178 HG22 THR 5 HG22 THR 5 -4.160 3.533 -16.533 179 HG23 THR 5 HG23 THR 5 -4.511 5.134 -17.183 180 H THR 6 H THR 6 -7.096 3.313 -12.394 181 HA THR 6 HA THR 6 -4.759 1.631 -11.758 182 HB THR 6 HB THR 6 -5.249 4.120 -10.708 183 HG1 THR 6 HG1 THR 6 -3.959 2.158 -9.144 184 HG21 THR 6 HG21 THR 6 -7.220 3.162 -9.498 185 HG22 THR 6 HG22 THR 6 -5.997 3.871 -8.444 186 HG23 THR 6 HG23 THR 6 -6.103 2.120 -8.618 187 H ILE 7 H ILE 7 -8.181 2.155 -11.398 188 HA ILE 7 HA ILE 7 -8.862 0.463 -9.340 189 HB ILE 7 HB ILE 7 -10.585 1.739 -10.358 190 HG12 ILE 7 HG12 ILE 7 -10.951 -0.822 -9.658 191 HG13 ILE 7 HG13 ILE 7 -12.264 0.196 -10.240 192 HG21 ILE 7 HG21 ILE 7 -9.745 1.974 -12.581 193 HG22 ILE 7 HG22 ILE 7 -9.932 0.249 -12.891 194 HG23 ILE 7 HG23 ILE 7 -11.357 1.266 -12.685 195 HD11 ILE 7 HD11 ILE 7 -11.971 -2.168 -11.217 196 HD12 ILE 7 HD12 ILE 7 -12.304 -0.825 -12.312 197 HD13 ILE 7 HD13 ILE 7 -10.661 -1.445 -12.151 198 H HIS 8 H HIS 8 -8.071 -0.367 -12.678 199 HA HIS 8 HA HIS 8 -8.245 -3.218 -11.967 200 HB2 HIS 8 HB2 HIS 8 -9.093 -1.744 -14.282 201 HB3 HIS 8 HB3 HIS 8 -7.886 -2.933 -14.760 202 HD1 HIS 8 HD1 HIS 8 -8.466 -5.448 -13.641 203 HD2 HIS 8 HD2 HIS 8 -11.583 -2.776 -14.278 204 HE1 HIS 8 HE1 HIS 8 -10.556 -6.846 -13.669 205 H ASN 9 H ASN 9 -6.045 -0.835 -12.101 206 HA ASN 9 HA ASN 9 -3.916 -2.562 -13.174 207 HB2 ASN 9 HB2 ASN 9 -4.432 -0.101 -14.027 208 HB3 ASN 9 HB3 ASN 9 -3.449 0.335 -12.631 209 HD21 ASN 9 HD21 ASN 9 -3.470 -0.830 -15.825 210 HD22 ASN 9 HD22 ASN 9 -1.768 -1.076 -15.996 211 H LEU 10 H LEU 10 -5.270 -2.151 -10.370 212 HA LEU 10 HA LEU 10 -2.730 -2.017 -8.881 213 HB2 LEU 10 HB2 LEU 10 -3.650 -0.738 -7.262 214 HB3 LEU 10 HB3 LEU 10 -4.677 -0.227 -8.599 215 HG LEU 10 HG LEU 10 -5.394 -2.272 -6.499 216 HD11 LEU 10 HD11 LEU 10 -6.690 0.396 -6.914 217 HD12 LEU 10 HD12 LEU 10 -5.273 0.217 -5.880 218 HD13 LEU 10 HD13 LEU 10 -6.753 -0.666 -5.507 219 HD21 LEU 10 HD21 LEU 10 -7.510 -2.445 -7.517 220 HD22 LEU 10 HD22 LEU 10 -6.343 -2.593 -8.832 221 HD23 LEU 10 HD23 LEU 10 -7.201 -1.072 -8.581 222 H PHE 11 H PHE 11 -4.873 -4.124 -10.010 223 HA PHE 11 HA PHE 11 -4.849 -5.804 -7.591 224 HB2 PHE 11 HB2 PHE 11 -6.972 -5.129 -9.299 225 HB3 PHE 11 HB3 PHE 11 -6.578 -6.802 -9.680 226 HD1 PHE 11 HD1 PHE 11 -8.229 -8.099 -8.724 227 HD2 PHE 11 HD2 PHE 11 -6.466 -4.967 -6.444 228 HE1 PHE 11 HE1 PHE 11 -9.478 -8.845 -6.740 229 HE2 PHE 11 HE2 PHE 11 -7.710 -5.709 -4.456 230 HZ PHE 11 HZ PHE 11 -9.218 -7.650 -4.601 231 H ARG 12 H ARG 12 -3.833 -5.521 -10.877 232 HA ARG 12 HA ARG 12 -3.384 -8.172 -11.579 233 HB2 ARG 12 HB2 ARG 12 -2.122 -5.573 -12.348 234 HB3 ARG 12 HB3 ARG 12 -1.367 -7.072 -12.876 235 HG2 ARG 12 HG2 ARG 12 -3.384 -7.733 -14.023 236 HG3 ARG 12 HG3 ARG 12 -4.230 -6.310 -13.412 237 HD2 ARG 12 HD2 ARG 12 -3.146 -4.885 -14.834 238 HD3 ARG 12 HD3 ARG 12 -1.708 -5.899 -14.928 239 HE ARG 12 HE ARG 12 -3.962 -5.963 -16.669 240 HH11 ARG 12 HH11 ARG 12 -1.494 -7.944 -15.218 241 HH12 ARG 12 HH12 ARG 12 -1.516 -9.127 -16.485 242 HH21 ARG 12 HH21 ARG 12 -4.000 -7.513 -18.342 243 HH22 ARG 12 HH22 ARG 12 -2.942 -8.880 -18.262 244 H LYS 13 H LYS 13 -0.598 -6.112 -10.900 245 HA LYS 13 HA LYS 13 0.467 -8.238 -9.158 246 HB2 LYS 13 HB2 LYS 13 2.723 -7.643 -10.012 247 HB3 LYS 13 HB3 LYS 13 1.663 -8.293 -11.255 248 HG2 LYS 13 HG2 LYS 13 1.150 -5.784 -11.737 249 HG3 LYS 13 HG3 LYS 13 2.677 -5.513 -10.891 250 HD2 LYS 13 HD2 LYS 13 3.778 -7.081 -12.455 251 HD3 LYS 13 HD3 LYS 13 2.252 -7.246 -13.327 252 HE2 LYS 13 HE2 LYS 13 3.087 -5.580 -14.591 253 HE3 LYS 13 HE3 LYS 13 2.504 -4.558 -13.279 254 HZ1 LYS 13 HZ1 LYS 13 4.652 -3.850 -13.462 255 HZ2 LYS 13 HZ2 LYS 13 5.248 -5.364 -13.927 256 HZ3 LYS 13 HZ3 LYS 13 4.855 -5.069 -12.307 257 H LEU 14 H LEU 14 -1.007 -5.793 -8.462 258 HA LEU 14 HA LEU 14 1.085 -4.450 -6.878 259 HB2 LEU 14 HB2 LEU 14 -1.321 -3.368 -8.278 260 HB3 LEU 14 HB3 LEU 14 -0.702 -2.553 -6.844 261 HG LEU 14 HG LEU 14 1.398 -2.116 -7.937 262 HD11 LEU 14 HD11 LEU 14 1.379 -2.703 -10.504 263 HD12 LEU 14 HD12 LEU 14 0.322 -4.007 -9.963 264 HD13 LEU 14 HD13 LEU 14 1.951 -3.861 -9.302 265 HD21 LEU 14 HD21 LEU 14 0.563 -0.319 -8.950 266 HD22 LEU 14 HD22 LEU 14 -1.037 -1.002 -8.655 267 HD23 LEU 14 HD23 LEU 14 -0.222 -1.295 -10.191 268 H THR 15 H THR 15 0.927 -4.772 -4.769 269 HA THR 15 HA THR 15 -1.719 -5.413 -3.636 270 HB THR 15 HB THR 15 -0.738 -7.380 -3.116 271 HG1 THR 15 HG1 THR 15 -0.855 -6.681 -1.050 272 HG21 THR 15 HG21 THR 15 1.847 -5.919 -3.526 273 HG22 THR 15 HG22 THR 15 1.202 -7.310 -4.397 274 HG23 THR 15 HG23 THR 15 1.831 -7.507 -2.761 275 H HIS 16 H HIS 16 1.481 -4.479 -2.366 276 HA HIS 16 HA HIS 16 0.124 -2.476 -0.689 277 HB2 HIS 16 HB2 HIS 16 2.326 -4.352 -0.210 278 HB3 HIS 16 HB3 HIS 16 2.667 -2.712 0.336 279 HD1 HIS 16 HD1 HIS 16 -0.456 -4.889 0.570 280 HD2 HIS 16 HD2 HIS 16 2.059 -2.602 2.958 281 HE1 HIS 16 HE1 HIS 16 -1.439 -5.001 2.882 282 H ARG 17 H ARG 17 3.516 -2.764 -1.683 283 HA ARG 17 HA ARG 17 3.740 0.045 -2.114 284 HB2 ARG 17 HB2 ARG 17 6.017 -0.555 -2.997 285 HB3 ARG 17 HB3 ARG 17 5.683 -1.118 -1.365 286 HG2 ARG 17 HG2 ARG 17 4.877 -3.185 -3.081 287 HG3 ARG 17 HG3 ARG 17 6.435 -2.616 -3.682 288 HD2 ARG 17 HD2 ARG 17 7.372 -2.856 -1.420 289 HD3 ARG 17 HD3 ARG 17 5.818 -3.472 -0.856 290 HE ARG 17 HE ARG 17 6.618 -5.053 -3.002 291 HH11 ARG 17 HH11 ARG 17 7.679 -4.301 0.227 292 HH12 ARG 17 HH12 ARG 17 8.427 -5.843 0.481 293 HH21 ARG 17 HH21 ARG 17 7.600 -7.086 -2.681 294 HH22 ARG 17 HH22 ARG 17 8.383 -7.426 -1.175 295 H LEU 18 H LEU 18 2.034 0.362 -3.674 296 HA LEU 18 HA LEU 18 2.841 -0.384 -6.407 297 HB2 LEU 18 HB2 LEU 18 0.337 -0.007 -6.891 298 HB3 LEU 18 HB3 LEU 18 0.847 -1.513 -6.132 299 HG LEU 18 HG LEU 18 0.162 0.463 -4.142 300 HD11 LEU 18 HD11 LEU 18 -1.696 0.089 -6.425 301 HD12 LEU 18 HD12 LEU 18 -1.451 1.486 -5.378 302 HD13 LEU 18 HD13 LEU 18 -2.379 0.103 -4.799 303 HD21 LEU 18 HD21 LEU 18 -1.365 -2.043 -4.678 304 HD22 LEU 18 HD22 LEU 18 -0.890 -1.320 -3.140 305 HD23 LEU 18 HD23 LEU 18 0.310 -2.146 -4.136 306 H PHE 19 H PHE 19 2.255 2.130 -4.216 307 HA PHE 19 HA PHE 19 1.701 4.118 -6.270 308 HB2 PHE 19 HB2 PHE 19 0.978 3.917 -3.618 309 HB3 PHE 19 HB3 PHE 19 2.274 5.108 -3.575 310 HD1 PHE 19 HD1 PHE 19 -0.818 4.311 -5.499 311 HD2 PHE 19 HD2 PHE 19 1.742 7.318 -3.911 312 HE1 PHE 19 HE1 PHE 19 -2.397 6.045 -6.244 313 HE2 PHE 19 HE2 PHE 19 0.168 9.056 -4.653 314 HZ PHE 19 HZ PHE 19 -1.906 8.420 -5.820 315 H ARG 20 H ARG 20 4.374 2.752 -4.667 316 HA ARG 20 HA ARG 20 6.093 4.957 -5.600 317 HB2 ARG 20 HB2 ARG 20 6.569 3.115 -3.249 318 HB3 ARG 20 HB3 ARG 20 7.663 4.376 -3.802 319 HG2 ARG 20 HG2 ARG 20 6.636 5.825 -2.489 320 HG3 ARG 20 HG3 ARG 20 5.140 5.576 -3.391 321 HD2 ARG 20 HD2 ARG 20 4.439 3.853 -1.926 322 HD3 ARG 20 HD3 ARG 20 6.031 3.745 -1.178 323 HE ARG 20 HE ARG 20 5.201 6.308 -0.699 324 HH11 ARG 20 HH11 ARG 20 3.945 3.127 -0.047 325 HH12 ARG 20 HH12 ARG 20 3.122 3.606 1.400 326 HH21 ARG 20 HH21 ARG 20 4.121 6.951 1.205 327 HH22 ARG 20 HH22 ARG 20 3.222 5.782 2.110 328 H ARG 21 H ARG 21 5.635 1.495 -5.320 329 HA ARG 21 HA ARG 21 8.110 0.929 -6.741 330 HB2 ARG 21 HB2 ARG 21 6.765 -0.454 -4.828 331 HB3 ARG 21 HB3 ARG 21 6.179 -1.256 -6.279 332 HG2 ARG 21 HG2 ARG 21 8.028 -2.464 -6.330 333 HG3 ARG 21 HG3 ARG 21 8.970 -0.991 -6.563 334 HD2 ARG 21 HD2 ARG 21 9.643 -0.922 -4.409 335 HD3 ARG 21 HD3 ARG 21 8.101 -1.525 -3.801 336 HE ARG 21 HE ARG 21 8.980 -3.631 -3.802 337 HH11 ARG 21 HH11 ARG 21 10.917 -1.607 -5.870 338 HH12 ARG 21 HH12 ARG 21 12.126 -2.818 -6.141 339 HH21 ARG 21 HH21 ARG 21 10.565 -5.234 -4.153 340 HH22 ARG 21 HH22 ARG 21 11.924 -4.881 -5.166 341 H ASN 22 H ASN 22 4.829 1.509 -7.446 342 HA ASN 22 HA ASN 22 5.193 0.421 -10.160 343 HB2 ASN 22 HB2 ASN 22 3.253 -0.333 -8.361 344 HB3 ASN 22 HB3 ASN 22 2.421 0.885 -9.323 345 HD21 ASN 22 HD21 ASN 22 1.816 0.421 -11.366 346 HD22 ASN 22 HD22 ASN 22 2.066 -1.110 -12.127 347 H PHE 23 H PHE 23 3.528 2.937 -8.276 348 HA PHE 23 HA PHE 23 3.381 4.600 -10.684 349 HB2 PHE 23 HB2 PHE 23 2.102 5.067 -7.984 350 HB3 PHE 23 HB3 PHE 23 1.782 5.961 -9.466 351 HD1 PHE 23 HD1 PHE 23 1.553 3.801 -11.434 352 HD2 PHE 23 HD2 PHE 23 0.093 4.054 -7.443 353 HE1 PHE 23 HE1 PHE 23 -0.250 2.223 -11.997 354 HE2 PHE 23 HE2 PHE 23 -1.712 2.476 -7.999 355 HZ PHE 23 HZ PHE 23 -1.884 1.559 -10.278 356 H GLY 24 H GLY 24 5.702 4.036 -8.658 357 HA2 GLY 24 HA2 GLY 24 6.310 6.838 -7.992 358 HA3 GLY 24 HA3 GLY 24 7.070 5.431 -7.264 359 H TYR 25 H TYR 25 7.222 4.284 -10.104 360 HA TYR 25 HA TYR 25 9.886 4.786 -10.610 361 HB2 TYR 25 HB2 TYR 25 7.861 3.261 -11.790 362 HB3 TYR 25 HB3 TYR 25 8.449 4.303 -13.082 363 HD1 TYR 25 HD1 TYR 25 9.715 2.029 -10.404 364 HD2 TYR 25 HD2 TYR 25 10.311 3.644 -14.295 365 HE1 TYR 25 HE1 TYR 25 11.639 0.531 -10.725 366 HE2 TYR 25 HE2 TYR 25 12.235 2.149 -14.627 367 HH TYR 25 HH TYR 25 13.316 0.330 -13.816 368 H THR 26 H THR 26 7.083 6.629 -11.552 369 HA THR 26 HA THR 26 8.040 8.149 -13.645 370 HB THR 26 HB THR 26 5.711 8.221 -12.664 371 HG1 THR 26 HG1 THR 26 6.699 9.803 -14.205 372 HG21 THR 26 HG21 THR 26 6.668 8.733 -10.320 373 HG22 THR 26 HG22 THR 26 5.200 9.569 -10.827 374 HG23 THR 26 HG23 THR 26 6.754 10.401 -10.886 375 H LEU 27 H LEU 27 8.732 8.430 -10.220 376 HA LEU 27 HA LEU 27 10.455 10.751 -10.771 377 HB2 LEU 27 HB2 LEU 27 9.093 11.457 -9.076 378 HB3 LEU 27 HB3 LEU 27 8.924 9.842 -8.393 379 HG LEU 27 HG LEU 27 11.183 10.020 -7.444 380 HD11 LEU 27 HD11 LEU 27 11.463 12.881 -7.743 381 HD12 LEU 27 HD12 LEU 27 11.510 12.054 -9.300 382 HD13 LEU 27 HD13 LEU 27 12.637 11.596 -8.025 383 HD21 LEU 27 HD21 LEU 27 10.429 11.066 -5.597 384 HD22 LEU 27 HD22 LEU 27 8.901 11.084 -6.478 385 HD23 LEU 27 HD23 LEU 27 9.939 12.510 -6.482 386 H ARG 28 H ARG 28 10.369 7.508 -9.447 387 HA ARG 28 HA ARG 28 13.097 7.569 -8.535 388 HB2 ARG 28 HB2 ARG 28 11.134 5.299 -8.879 389 HB3 ARG 28 HB3 ARG 28 12.745 5.113 -8.196 390 HG2 ARG 28 HG2 ARG 28 12.146 6.673 -6.398 391 HG3 ARG 28 HG3 ARG 28 10.521 6.805 -7.074 392 HD2 ARG 28 HD2 ARG 28 10.184 5.197 -5.474 393 HD3 ARG 28 HD3 ARG 28 10.564 4.192 -6.872 394 HE ARG 28 HE ARG 28 12.978 4.577 -5.720 395 HH11 ARG 28 HH11 ARG 28 9.901 3.491 -4.506 396 HH12 ARG 28 HH12 ARG 28 10.594 2.476 -3.285 397 HH21 ARG 28 HH21 ARG 28 13.902 3.245 -4.116 398 HH22 ARG 28 HH22 ARG 28 12.871 2.337 -3.063 Start of MODEL 6 1 H1 VAL 1 H VAL 1 -6.592 0.875 -20.320 2 HA VAL 1 HA VAL 1 -3.755 0.456 -20.807 3 HB VAL 1 HB VAL 1 -5.436 2.841 -21.578 4 HG11 VAL 1 HG11 VAL 1 -3.015 3.212 -21.605 5 HG12 VAL 1 HG12 VAL 1 -2.814 1.814 -22.662 6 HG13 VAL 1 HG13 VAL 1 -3.692 3.233 -23.233 7 HG21 VAL 1 HG21 VAL 1 -5.151 1.511 -23.884 8 HG22 VAL 1 HG22 VAL 1 -5.199 0.144 -22.769 9 HG23 VAL 1 HG23 VAL 1 -6.537 1.293 -22.815 10 H ALA 2 H ALA 2 -2.108 1.738 -20.010 11 HA ALA 2 HA ALA 2 -2.676 3.046 -17.485 12 HB1 ALA 2 1HB ALA 2 -0.791 1.677 -17.362 13 HB2 ALA 2 HB2 ALA 2 -0.156 2.253 -18.904 14 HB3 ALA 2 HB3 ALA 2 -0.122 3.304 -17.489 15 H ARG 3 H ARG 3 -3.829 4.883 -18.261 16 HA ARG 3 HA ARG 3 -2.115 6.898 -19.563 17 HB2 ARG 3 HB2 ARG 3 -4.455 7.939 -20.114 18 HB3 ARG 3 HB3 ARG 3 -3.817 6.631 -21.099 19 HG2 ARG 3 HG2 ARG 3 -5.308 5.090 -20.265 20 HG3 ARG 3 HG3 ARG 3 -5.569 5.996 -18.773 21 HD2 ARG 3 HD2 ARG 3 -7.338 7.007 -19.655 22 HD3 ARG 3 HD3 ARG 3 -6.364 7.598 -21.000 23 HE ARG 3 HE ARG 3 -8.206 5.415 -21.042 24 HH11 ARG 3 HH11 ARG 3 -5.274 6.655 -22.451 25 HH12 ARG 3 HH12 ARG 3 -5.470 5.793 -23.940 26 HH21 ARG 3 HH21 ARG 3 -8.476 4.274 -22.998 27 HH22 ARG 3 HH22 ARG 3 -7.293 4.439 -24.251 28 H GLY 4 H GLY 4 -3.979 6.077 -16.809 29 HA2 GLY 4 HA2 GLY 4 -4.563 8.698 -15.870 30 HA3 GLY 4 HA3 GLY 4 -4.561 7.230 -14.904 31 H TRP 5 H TRP 5 -1.659 6.933 -16.022 32 HA TRP 5 HA TRP 5 -0.423 8.785 -14.090 33 HB2 TRP 5 HB2 TRP 5 0.958 6.224 -14.633 34 HB3 TRP 5 HB3 TRP 5 0.794 7.122 -13.126 35 HD1 TRP 5 HD1 TRP 5 -2.030 7.038 -12.271 36 HE1 TRP 5 HE1 TRP 5 -3.396 4.878 -11.968 37 HE3 TRP 5 HE3 TRP 5 0.734 3.908 -15.221 38 HZ2 TRP 5 HZ2 TRP 5 -3.313 2.202 -12.861 39 HZ3 TRP 5 HZ3 TRP 5 0.024 1.563 -15.442 40 HH2 TRP 5 HH2 TRP 5 -1.957 0.729 -14.285 41 H LYS 6 H LYS 6 -0.624 7.845 -17.280 42 HA LYS 6 HA LYS 6 2.134 8.570 -17.926 43 HB2 LYS 6 HB2 LYS 6 1.388 6.622 -19.078 44 HB3 LYS 6 HB3 LYS 6 -0.117 7.397 -19.554 45 HG2 LYS 6 HG2 LYS 6 2.363 8.694 -20.486 46 HG3 LYS 6 HG3 LYS 6 1.988 7.116 -21.185 47 HD2 LYS 6 HD2 LYS 6 -0.379 8.740 -21.094 48 HD3 LYS 6 HD3 LYS 6 0.923 9.617 -21.903 49 HE2 LYS 6 HE2 LYS 6 0.017 6.821 -22.583 50 HE3 LYS 6 HE3 LYS 6 -0.438 8.278 -23.464 51 HZ1 LYS 6 HZ1 LYS 6 2.372 8.138 -23.195 52 HZ2 LYS 6 HZ2 LYS 6 1.442 8.182 -24.605 53 HZ3 LYS 6 HZ3 LYS 6 1.796 6.699 -23.872 54 H ARG 7 H ARG 7 -0.988 9.926 -17.797 55 HA ARG 7 HA ARG 7 -0.114 12.196 -19.462 56 HB2 ARG 7 HB2 ARG 7 -2.324 12.577 -20.135 57 HB3 ARG 7 HB3 ARG 7 -2.168 10.825 -20.180 58 HG2 ARG 7 HG2 ARG 7 -4.141 10.946 -19.092 59 HG3 ARG 7 HG3 ARG 7 -3.078 11.092 -17.689 60 HD2 ARG 7 HD2 ARG 7 -3.907 13.100 -17.233 61 HD3 ARG 7 HD3 ARG 7 -3.461 13.674 -18.839 62 HE ARG 7 HE ARG 7 -6.074 12.834 -17.953 63 HH11 ARG 7 HH11 ARG 7 -3.990 13.402 -20.683 64 HH12 ARG 7 HH12 ARG 7 -5.295 13.620 -21.800 65 HH21 ARG 7 HH21 ARG 7 -7.802 13.121 -19.415 66 HH22 ARG 7 HH22 ARG 7 -7.463 13.462 -21.078 67 H LYS 8 H LYS 8 -1.410 11.165 -16.401 68 HA LYS 8 HA LYS 8 -1.943 13.843 -15.465 69 HB2 LYS 8 HB2 LYS 8 -1.822 11.249 -13.916 70 HB3 LYS 8 HB3 LYS 8 -2.487 12.771 -13.339 71 HG2 LYS 8 HG2 LYS 8 -3.578 11.442 -15.790 72 HG3 LYS 8 HG3 LYS 8 -4.101 10.960 -14.174 73 HD2 LYS 8 HD2 LYS 8 -4.867 13.195 -13.702 74 HD3 LYS 8 HD3 LYS 8 -4.211 13.783 -15.232 75 HE2 LYS 8 HE2 LYS 8 -6.419 13.511 -15.791 76 HE3 LYS 8 HE3 LYS 8 -5.769 11.938 -16.251 77 HZ1 LYS 8 HZ1 LYS 8 -7.691 11.472 -15.040 78 HZ2 LYS 8 HZ2 LYS 8 -7.357 12.634 -13.857 79 HZ3 LYS 8 HZ3 LYS 8 -6.440 11.213 -13.931 80 H CYS 9 H CYS 9 0.397 14.363 -16.142 81 HA CYS 9 HA CYS 9 2.501 13.499 -14.416 82 HB2 CYS 9 HB2 CYS 9 2.223 15.175 -16.765 83 HB3 CYS 9 HB3 CYS 9 3.298 15.912 -15.582 84 HG CYS 9 HG CYS 9 4.792 14.491 -17.507 85 HA PRO 10 HA PRO 10 2.088 17.887 -12.460 86 HB2 PRO 10 HB2 PRO 10 -0.031 19.409 -13.215 87 HB3 PRO 10 HB3 PRO 10 1.522 19.437 -14.059 88 HG2 PRO 10 HG2 PRO 10 -0.994 17.980 -14.770 89 HG3 PRO 10 HG3 PRO 10 0.111 18.882 -15.822 90 HD2 PRO 10 HD2 PRO 10 0.150 16.180 -15.644 91 HD3 PRO 10 HD3 PRO 10 1.613 17.138 -15.950 92 H LEU 11 H LEU 11 -0.469 15.692 -12.954 93 HA LEU 11 HA LEU 11 -1.918 16.588 -10.572 94 HB2 LEU 11 HB2 LEU 11 -2.554 14.816 -12.878 95 HB3 LEU 11 HB3 LEU 11 -3.392 14.544 -11.351 96 HG LEU 11 HG LEU 11 -3.393 17.313 -12.405 97 HD11 LEU 11 HD11 LEU 11 -3.789 15.694 -14.355 98 HD12 LEU 11 HD12 LEU 11 -4.978 16.966 -14.074 99 HD13 LEU 11 HD13 LEU 11 -5.311 15.315 -13.548 100 HD21 LEU 11 HD21 LEU 11 -5.799 17.056 -11.623 101 HD22 LEU 11 HD22 LEU 11 -4.547 16.982 -10.384 102 HD23 LEU 11 HD23 LEU 11 -5.305 15.498 -10.962 103 H PHE 12 H PHE 12 -1.205 13.341 -11.843 104 HA PHE 12 HA PHE 12 -1.066 12.192 -9.254 105 HB2 PHE 12 HB2 PHE 12 -1.704 10.882 -11.228 106 HB3 PHE 12 HB3 PHE 12 -0.094 11.107 -11.906 107 HD1 PHE 12 HD1 PHE 12 1.695 9.712 -11.289 108 HD2 PHE 12 HD2 PHE 12 -1.973 9.544 -9.136 109 HE1 PHE 12 HE1 PHE 12 2.465 7.675 -10.143 110 HE2 PHE 12 HE2 PHE 12 -1.209 7.507 -7.988 111 HZ PHE 12 HZ PHE 12 1.012 6.570 -8.490 112 H GLY 13 H GLY 13 1.136 14.040 -11.001 113 HA2 GLY 13 HA2 GLY 13 3.437 12.875 -9.572 114 HA3 GLY 13 HA3 GLY 13 3.545 13.867 -11.018 115 H LYS 14 H LYS 14 3.274 16.127 -10.851 116 HA LYS 14 HA LYS 14 4.494 17.350 -8.697 117 HB2 LYS 14 HB2 LYS 14 2.450 18.661 -10.495 118 HB3 LYS 14 HB3 LYS 14 3.749 19.454 -9.614 119 HG2 LYS 14 HG2 LYS 14 5.372 18.145 -10.992 120 HG3 LYS 14 HG3 LYS 14 4.004 17.587 -11.959 121 HD2 LYS 14 HD2 LYS 14 3.969 19.488 -13.119 122 HD3 LYS 14 HD3 LYS 14 3.926 20.451 -11.640 123 HE2 LYS 14 HE2 LYS 14 5.934 21.171 -12.368 124 HE3 LYS 14 HE3 LYS 14 6.507 19.675 -11.632 125 HZ1 LYS 14 HZ1 LYS 14 7.359 19.283 -13.644 126 HZ2 LYS 14 HZ2 LYS 14 6.372 20.422 -14.413 127 HZ3 LYS 14 HZ3 LYS 14 5.783 18.868 -14.097 128 H GLY 15 H GLY 15 1.005 17.104 -9.369 129 HA2 GLY 15 HA2 GLY 15 0.296 18.372 -6.883 130 HA3 GLY 15 HA3 GLY 15 -0.809 17.622 -8.026 131 H GLY 16 H GLY 16 1.846 16.571 -5.877 132 HA2 GLY 16 HA2 GLY 16 0.438 14.084 -5.350 133 HA3 GLY 16 HA3 GLY 16 2.039 14.520 -4.774 134 H1 LYS 1 H LYS 1 -9.295 11.230 -9.947 135 HA LYS 1 HA LYS 1 -8.677 11.336 -12.814 136 HB2 LYS 1 HB2 LYS 1 -6.894 11.689 -10.397 137 HB3 LYS 1 HB3 LYS 1 -6.348 11.773 -12.068 138 HG2 LYS 1 HG2 LYS 1 -6.613 13.992 -11.580 139 HG3 LYS 1 HG3 LYS 1 -8.193 13.612 -12.269 140 HD2 LYS 1 HD2 LYS 1 -9.246 14.016 -10.334 141 HD3 LYS 1 HD3 LYS 1 -8.049 13.117 -9.399 142 HE2 LYS 1 HE2 LYS 1 -6.690 14.975 -9.115 143 HE3 LYS 1 HE3 LYS 1 -7.382 15.818 -10.500 144 HZ1 LYS 1 HZ1 LYS 1 -9.326 16.312 -9.293 145 HZ2 LYS 1 HZ2 LYS 1 -8.044 16.673 -8.250 146 HZ3 LYS 1 HZ3 LYS 1 -8.929 15.248 -8.038 147 H TYR 2 H TYR 2 -7.013 9.772 -10.088 148 HA TYR 2 HA TYR 2 -6.899 7.308 -11.700 149 HB2 TYR 2 HB2 TYR 2 -4.884 6.863 -10.068 150 HB3 TYR 2 HB3 TYR 2 -4.674 7.886 -11.485 151 HD1 TYR 2 HD1 TYR 2 -4.504 10.327 -11.241 152 HD2 TYR 2 HD2 TYR 2 -4.775 7.775 -7.848 153 HE1 TYR 2 HE1 TYR 2 -3.725 12.165 -9.804 154 HE2 TYR 2 HE2 TYR 2 -3.998 9.606 -6.401 155 HH TYR 2 HH TYR 2 -2.898 11.659 -6.461 156 H GLU 3 H GLU 3 -8.954 8.242 -9.725 157 HA GLU 3 HA GLU 3 -8.700 6.707 -7.357 158 HB2 GLU 3 HB2 GLU 3 -10.739 8.374 -8.626 159 HB3 GLU 3 HB3 GLU 3 -11.415 7.013 -7.741 160 HG2 GLU 3 HG2 GLU 3 -9.325 8.548 -6.347 161 HG3 GLU 3 HG3 GLU 3 -10.849 9.386 -6.630 162 H ILE 4 H ILE 4 -9.294 5.815 -10.548 163 HA ILE 4 HA ILE 4 -10.513 3.272 -9.695 164 HB ILE 4 HB ILE 4 -10.617 4.457 -12.468 165 HG12 ILE 4 HG12 ILE 4 -13.189 4.474 -11.451 166 HG13 ILE 4 HG13 ILE 4 -12.218 5.003 -10.082 167 HG21 ILE 4 HG21 ILE 4 -10.876 2.117 -12.594 168 HG22 ILE 4 HG22 ILE 4 -11.911 2.077 -11.167 169 HG23 ILE 4 HG23 ILE 4 -12.508 2.781 -12.669 170 HD11 ILE 4 HD11 ILE 4 -12.011 7.023 -10.953 171 HD12 ILE 4 HD12 ILE 4 -11.382 6.362 -12.462 172 HD13 ILE 4 HD13 ILE 4 -13.122 6.536 -12.233 173 H THR 5 H THR 5 -7.751 4.745 -10.987 174 HA THR 5 HA THR 5 -6.775 2.194 -12.085 175 HB THR 5 HB THR 5 -4.859 3.962 -12.818 176 HG1 THR 5 HG1 THR 5 -5.954 5.871 -13.495 177 HG21 THR 5 HG21 THR 5 -6.651 4.209 -14.889 178 HG22 THR 5 HG22 THR 5 -7.196 2.742 -14.076 179 HG23 THR 5 HG23 THR 5 -5.535 2.866 -14.654 180 H THR 6 H THR 6 -6.720 3.880 -9.293 181 HA THR 6 HA THR 6 -3.990 2.986 -8.624 182 HB THR 6 HB THR 6 -4.682 5.548 -8.539 183 HG1 THR 6 HG1 THR 6 -3.042 5.770 -6.970 184 HG21 THR 6 HG21 THR 6 -5.412 4.612 -5.764 185 HG22 THR 6 HG22 THR 6 -6.596 5.058 -6.994 186 HG23 THR 6 HG23 THR 6 -5.458 6.261 -6.390 187 H ILE 7 H ILE 7 -7.349 3.121 -7.658 188 HA ILE 7 HA ILE 7 -7.113 2.122 -5.050 189 HB ILE 7 HB ILE 7 -9.202 3.057 -5.740 190 HG12 ILE 7 HG12 ILE 7 -9.021 0.823 -4.270 191 HG13 ILE 7 HG13 ILE 7 -10.560 1.602 -4.619 192 HG21 ILE 7 HG21 ILE 7 -10.633 1.909 -7.426 193 HG22 ILE 7 HG22 ILE 7 -9.158 2.608 -8.091 194 HG23 ILE 7 HG23 ILE 7 -9.261 0.870 -7.812 195 HD11 ILE 7 HD11 ILE 7 -9.491 -0.529 -6.420 196 HD12 ILE 7 HD12 ILE 7 -10.349 -0.938 -4.934 197 HD13 ILE 7 HD13 ILE 7 -11.154 0.007 -6.186 198 H HIS 8 H HIS 8 -7.366 0.476 -8.163 199 HA HIS 8 HA HIS 8 -7.494 -2.146 -7.006 200 HB2 HIS 8 HB2 HIS 8 -7.915 -1.028 -9.556 201 HB3 HIS 8 HB3 HIS 8 -6.583 -2.165 -9.740 202 HD1 HIS 8 HD1 HIS 8 -10.066 -2.162 -8.199 203 HD2 HIS 8 HD2 HIS 8 -7.424 -4.696 -10.164 204 HE1 HIS 8 HE1 HIS 8 -11.313 -4.323 -8.509 205 H ASN 9 H ASN 9 -5.001 0.072 -7.662 206 HA ASN 9 HA ASN 9 -2.867 -1.659 -8.263 207 HB2 ASN 9 HB2 ASN 9 -1.734 0.267 -8.393 208 HB3 ASN 9 HB3 ASN 9 -3.204 1.096 -7.886 209 HD21 ASN 9 HD21 ASN 9 -0.143 -0.202 -6.859 210 HD22 ASN 9 HD22 ASN 9 -0.077 0.622 -5.342 211 H LEU 10 H LEU 10 -4.632 -1.207 -5.396 212 HA LEU 10 HA LEU 10 -2.698 -1.693 -3.430 213 HB2 LEU 10 HB2 LEU 10 -4.452 -2.024 -1.957 214 HB3 LEU 10 HB3 LEU 10 -5.155 -0.983 -3.192 215 HG LEU 10 HG LEU 10 -5.884 -3.369 -4.170 216 HD11 LEU 10 HD11 LEU 10 -6.220 -5.012 -2.624 217 HD12 LEU 10 HD12 LEU 10 -6.298 -3.882 -1.272 218 HD13 LEU 10 HD13 LEU 10 -4.739 -4.298 -1.984 219 HD21 LEU 10 HD21 LEU 10 -7.851 -2.806 -2.260 220 HD22 LEU 10 HD22 LEU 10 -7.787 -2.254 -3.933 221 HD23 LEU 10 HD23 LEU 10 -7.100 -1.258 -2.649 222 H PHE 11 H PHE 11 -4.011 -3.752 -5.813 223 HA PHE 11 HA PHE 11 -3.649 -6.232 -4.439 224 HB2 PHE 11 HB2 PHE 11 -4.540 -5.353 -7.070 225 HB3 PHE 11 HB3 PHE 11 -3.544 -6.801 -7.155 226 HD1 PHE 11 HD1 PHE 11 -5.796 -5.870 -4.379 227 HD2 PHE 11 HD2 PHE 11 -5.173 -8.387 -7.754 228 HE1 PHE 11 HE1 PHE 11 -7.732 -7.235 -3.714 229 HE2 PHE 11 HE2 PHE 11 -7.108 -9.755 -7.096 230 HZ PHE 11 HZ PHE 11 -8.392 -9.180 -5.074 231 H ARG 12 H ARG 12 -1.457 -5.701 -3.639 232 HA ARG 12 HA ARG 12 0.793 -5.340 -5.197 233 HB2 ARG 12 HB2 ARG 12 0.613 -6.989 -2.668 234 HB3 ARG 12 HB3 ARG 12 2.072 -6.271 -3.336 235 HG2 ARG 12 HG2 ARG 12 1.687 -4.400 -2.225 236 HG3 ARG 12 HG3 ARG 12 0.118 -4.226 -3.015 237 HD2 ARG 12 HD2 ARG 12 -0.596 -6.043 -1.250 238 HD3 ARG 12 HD3 ARG 12 0.799 -5.417 -0.371 239 HE ARG 12 HE ARG 12 -1.725 -4.120 -0.749 240 HH11 ARG 12 HH11 ARG 12 1.679 -3.598 -0.242 241 HH12 ARG 12 HH12 ARG 12 1.465 -2.035 0.476 242 HH21 ARG 12 HH21 ARG 12 -2.020 -2.064 0.194 243 HH22 ARG 12 HH22 ARG 12 -0.639 -1.165 0.724 244 H LYS 13 H LYS 13 -1.038 -8.252 -4.604 245 HA LYS 13 HA LYS 13 0.879 -10.115 -5.527 246 HB2 LYS 13 HB2 LYS 13 -2.032 -10.135 -4.964 247 HB3 LYS 13 HB3 LYS 13 -1.438 -11.382 -6.051 248 HG2 LYS 13 HG2 LYS 13 0.200 -12.054 -4.331 249 HG3 LYS 13 HG3 LYS 13 -0.498 -10.856 -3.239 250 HD2 LYS 13 HD2 LYS 13 -2.042 -13.124 -4.494 251 HD3 LYS 13 HD3 LYS 13 -1.344 -13.169 -2.874 252 HE2 LYS 13 HE2 LYS 13 -2.818 -10.774 -3.065 253 HE3 LYS 13 HE3 LYS 13 -3.830 -12.047 -3.744 254 HZ1 LYS 13 HZ1 LYS 13 -4.351 -12.221 -1.548 255 HZ2 LYS 13 HZ2 LYS 13 -2.825 -11.730 -1.011 256 HZ3 LYS 13 HZ3 LYS 13 -3.049 -13.300 -1.599 257 H LEU 14 H LEU 14 -1.505 -8.126 -7.142 258 HA LEU 14 HA LEU 14 -1.711 -9.353 -9.600 259 HB2 LEU 14 HB2 LEU 14 -3.012 -7.401 -8.981 260 HB3 LEU 14 HB3 LEU 14 -1.559 -6.404 -8.993 261 HG LEU 14 HG LEU 14 -1.384 -6.571 -11.375 262 HD11 LEU 14 HD11 LEU 14 -2.015 -8.501 -12.296 263 HD12 LEU 14 HD12 LEU 14 -3.642 -7.821 -12.314 264 HD13 LEU 14 HD13 LEU 14 -3.136 -8.864 -10.983 265 HD21 LEU 14 HD21 LEU 14 -3.499 -5.343 -10.043 266 HD22 LEU 14 HD22 LEU 14 -4.234 -6.112 -11.450 267 HD23 LEU 14 HD23 LEU 14 -2.903 -4.972 -11.661 268 H THR 15 H THR 15 -0.259 -9.932 -11.060 269 HA THR 15 HA THR 15 2.453 -9.491 -10.944 270 HB THR 15 HB THR 15 1.252 -11.161 -12.415 271 HG1 THR 15 HG1 THR 15 3.547 -10.619 -12.572 272 HG21 THR 15 HG21 THR 15 -0.160 -9.258 -13.464 273 HG22 THR 15 HG22 THR 15 0.403 -10.569 -14.501 274 HG23 THR 15 HG23 THR 15 1.240 -9.016 -14.509 275 H HIS 16 H HIS 16 -0.024 -7.485 -12.404 276 HA HIS 16 HA HIS 16 1.609 -5.807 -13.943 277 HB2 HIS 16 HB2 HIS 16 -0.884 -4.891 -12.514 278 HB3 HIS 16 HB3 HIS 16 -0.240 -4.322 -14.053 279 HD1 HIS 16 HD1 HIS 16 -3.156 -5.502 -13.556 280 HD2 HIS 16 HD2 HIS 16 0.066 -7.512 -15.242 281 HE1 HIS 16 HE1 HIS 16 -4.163 -7.339 -14.946 282 H ARG 17 H ARG 17 3.435 -5.039 -13.006 283 HA ARG 17 HA ARG 17 3.143 -3.511 -10.507 284 HB2 ARG 17 HB2 ARG 17 5.675 -3.772 -10.400 285 HB3 ARG 17 HB3 ARG 17 4.719 -5.225 -10.137 286 HG2 ARG 17 HG2 ARG 17 5.128 -5.909 -12.450 287 HG3 ARG 17 HG3 ARG 17 6.100 -4.458 -12.700 288 HD2 ARG 17 HD2 ARG 17 6.838 -6.134 -10.387 289 HD3 ARG 17 HD3 ARG 17 7.122 -6.842 -11.976 290 HE ARG 17 HE ARG 17 8.207 -4.385 -12.216 291 HH11 ARG 17 HH11 ARG 17 8.561 -6.912 -9.847 292 HH12 ARG 17 HH12 ARG 17 10.198 -6.496 -9.456 293 HH21 ARG 17 HH21 ARG 17 10.361 -3.829 -11.711 294 HH22 ARG 17 HH22 ARG 17 11.220 -4.741 -10.517 295 H LEU 18 H LEU 18 3.159 -3.009 -13.702 296 HA LEU 18 HA LEU 18 5.087 -1.105 -14.266 297 HB2 LEU 18 HB2 LEU 18 3.295 -0.162 -15.840 298 HB3 LEU 18 HB3 LEU 18 3.840 -1.820 -16.083 299 HG LEU 18 HG LEU 18 1.484 -1.603 -14.365 300 HD11 LEU 18 HD11 LEU 18 1.359 0.264 -16.230 301 HD12 LEU 18 HD12 LEU 18 -0.043 -0.716 -15.805 302 HD13 LEU 18 HD13 LEU 18 0.907 -1.111 -17.237 303 HD21 LEU 18 HD21 LEU 18 2.484 -3.256 -16.631 304 HD22 LEU 18 HD22 LEU 18 0.757 -3.257 -16.276 305 HD23 LEU 18 HD23 LEU 18 1.912 -3.750 -15.037 306 H PHE 19 H PHE 19 2.290 -0.863 -12.256 307 HA PHE 19 HA PHE 19 2.082 1.984 -12.275 308 HB2 PHE 19 HB2 PHE 19 0.178 0.564 -11.661 309 HB3 PHE 19 HB3 PHE 19 1.065 -0.031 -10.261 310 HD1 PHE 19 HD1 PHE 19 -0.036 3.197 -11.770 311 HD2 PHE 19 HD2 PHE 19 0.651 0.943 -8.224 312 HE1 PHE 19 HE1 PHE 19 -0.933 5.050 -10.422 313 HE2 PHE 19 HE2 PHE 19 -0.247 2.791 -6.872 314 HZ PHE 19 HZ PHE 19 -1.041 4.848 -7.970 315 H ARG 20 H ARG 20 2.790 -0.030 -9.436 316 HA ARG 20 HA ARG 20 4.100 1.974 -8.008 317 HB2 ARG 20 HB2 ARG 20 5.037 0.086 -6.644 318 HB3 ARG 20 HB3 ARG 20 3.289 0.048 -6.847 319 HG2 ARG 20 HG2 ARG 20 3.407 -1.724 -8.396 320 HG3 ARG 20 HG3 ARG 20 5.151 -1.535 -8.591 321 HD2 ARG 20 HD2 ARG 20 5.599 -2.442 -6.481 322 HD3 ARG 20 HD3 ARG 20 3.939 -2.215 -5.933 323 HE ARG 20 HE ARG 20 4.981 -4.430 -7.447 324 HH11 ARG 20 HH11 ARG 20 2.133 -2.620 -6.591 325 HH12 ARG 20 HH12 ARG 20 1.045 -3.929 -6.914 326 HH21 ARG 20 HH21 ARG 20 3.559 -6.160 -7.877 327 HH22 ARG 20 HH22 ARG 20 1.857 -5.942 -7.646 328 H ARG 21 H ARG 21 5.207 0.021 -10.604 329 HA ARG 21 HA ARG 21 7.901 -0.241 -10.223 330 HB2 ARG 21 HB2 ARG 21 6.128 -0.035 -12.532 331 HB3 ARG 21 HB3 ARG 21 7.749 0.557 -12.869 332 HG2 ARG 21 HG2 ARG 21 8.693 -1.561 -12.133 333 HG3 ARG 21 HG3 ARG 21 7.076 -2.157 -11.753 334 HD2 ARG 21 HD2 ARG 21 6.525 -2.463 -13.939 335 HD3 ARG 21 HD3 ARG 21 7.528 -1.122 -14.491 336 HE ARG 21 HE ARG 21 9.345 -2.949 -13.680 337 HH11 ARG 21 HH11 ARG 21 6.599 -3.100 -15.814 338 HH12 ARG 21 HH12 ARG 21 7.280 -4.339 -16.815 339 HH21 ARG 21 HH21 ARG 21 10.253 -4.580 -14.992 340 HH22 ARG 21 HH22 ARG 21 9.358 -5.180 -16.347 341 H ASN 22 H ASN 22 6.477 2.516 -11.989 342 HA ASN 22 HA ASN 22 8.679 4.180 -10.954 343 HB2 ASN 22 HB2 ASN 22 7.492 3.974 -13.691 344 HB3 ASN 22 HB3 ASN 22 8.118 5.531 -13.155 345 HD21 ASN 22 HD21 ASN 22 10.348 5.322 -12.073 346 HD22 ASN 22 HD22 ASN 22 11.497 4.357 -12.930 347 H PHE 23 H PHE 23 5.275 3.904 -11.638 348 HA PHE 23 HA PHE 23 4.691 6.645 -10.947 349 HB2 PHE 23 HB2 PHE 23 2.789 4.323 -11.315 350 HB3 PHE 23 HB3 PHE 23 2.360 6.030 -11.275 351 HD1 PHE 23 HD1 PHE 23 3.588 7.516 -13.063 352 HD2 PHE 23 HD2 PHE 23 3.067 3.302 -13.353 353 HE1 PHE 23 HE1 PHE 23 3.887 7.651 -15.501 354 HE2 PHE 23 HE2 PHE 23 3.367 3.428 -15.791 355 HZ PHE 23 HZ PHE 23 3.778 5.604 -16.869 356 H GLY 24 H GLY 24 5.645 4.125 -9.141 357 HA2 GLY 24 HA2 GLY 24 3.738 4.406 -6.966 358 HA3 GLY 24 HA3 GLY 24 5.136 3.343 -6.998 359 H TYR 25 H TYR 25 6.668 5.869 -7.940 360 HA TYR 25 HA TYR 25 7.884 6.475 -5.514 361 HB2 TYR 25 HB2 TYR 25 8.033 7.422 -8.252 362 HB3 TYR 25 HB3 TYR 25 8.256 8.739 -7.108 363 HD1 TYR 25 HD1 TYR 25 10.145 8.714 -5.535 364 HD2 TYR 25 HD2 TYR 25 9.674 5.678 -8.479 365 HE1 TYR 25 HE1 TYR 25 12.482 8.028 -5.193 366 HE2 TYR 25 HE2 TYR 25 12.009 4.982 -8.143 367 HH TYR 25 HH TYR 25 14.186 6.798 -6.058 368 H THR 26 H THR 26 5.004 7.745 -6.950 369 HA THR 26 HA THR 26 4.750 10.228 -5.779 370 HB THR 26 HB THR 26 3.139 9.144 -7.401 371 HG1 THR 26 HG1 THR 26 1.962 10.802 -6.841 372 HG21 THR 26 HG21 THR 26 1.276 7.879 -6.486 373 HG22 THR 26 HG22 THR 26 1.971 7.984 -4.868 374 HG23 THR 26 HG23 THR 26 2.796 7.061 -6.124 375 H LEU 27 H LEU 27 4.331 7.060 -4.339 376 HA LEU 27 HA LEU 27 3.149 8.030 -1.916 377 HB2 LEU 27 HB2 LEU 27 4.057 5.440 -2.989 378 HB3 LEU 27 HB3 LEU 27 4.124 5.605 -1.236 379 HG LEU 27 HG LEU 27 1.648 6.372 -1.479 380 HD11 LEU 27 HD11 LEU 27 0.725 4.855 -3.445 381 HD12 LEU 27 HD12 LEU 27 2.285 5.265 -4.156 382 HD13 LEU 27 HD13 LEU 27 1.163 6.545 -3.694 383 HD21 LEU 27 HD21 LEU 27 1.543 3.560 -2.020 384 HD22 LEU 27 HD22 LEU 27 1.298 4.414 -0.497 385 HD23 LEU 27 HD23 LEU 27 2.921 3.919 -0.981 386 H ARG 28 H ARG 28 6.177 6.193 -2.220 387 HA ARG 28 HA ARG 28 7.275 7.260 0.153 388 HB2 ARG 28 HB2 ARG 28 7.863 5.121 -1.367 389 HB3 ARG 28 HB3 ARG 28 9.121 6.219 -1.921 390 HG2 ARG 28 HG2 ARG 28 8.679 5.789 1.002 391 HG3 ARG 28 HG3 ARG 28 9.601 4.622 0.053 392 HD2 ARG 28 HD2 ARG 28 11.375 5.923 0.409 393 HD3 ARG 28 HD3 ARG 28 10.640 7.063 -0.718 394 HE ARG 28 HE ARG 28 9.634 7.429 1.912 395 HH11 ARG 28 HH11 ARG 28 12.404 8.046 -0.105 396 HH12 ARG 28 HH12 ARG 28 12.906 9.444 0.786 397 HH21 ARG 28 HH21 ARG 28 10.284 9.269 3.093 398 HH22 ARG 28 HH22 ARG 28 11.699 10.139 2.606 Start of MODEL 7 1 H1 VAL 1 H VAL 1 -5.062 -2.505 -20.619 2 HA VAL 1 HA VAL 1 -3.129 -2.096 -22.046 3 HB VAL 1 HB VAL 1 -3.102 -0.146 -23.508 4 HG11 VAL 1 HG11 VAL 1 -4.286 -1.095 -25.238 5 HG12 VAL 1 HG12 VAL 1 -4.160 -2.458 -24.125 6 HG13 VAL 1 HG13 VAL 1 -5.653 -1.524 -24.211 7 HG21 VAL 1 HG21 VAL 1 -4.508 1.550 -23.241 8 HG22 VAL 1 HG22 VAL 1 -5.879 0.501 -23.597 9 HG23 VAL 1 HG23 VAL 1 -5.305 0.668 -21.938 10 H ALA 2 H ALA 2 -1.465 -0.461 -21.666 11 HA ALA 2 HA ALA 2 -1.984 1.008 -19.169 12 HB1 ALA 2 1HB ALA 2 -0.293 -0.689 -18.916 13 HB2 ALA 2 HB2 ALA 2 0.602 -0.055 -20.297 14 HB3 ALA 2 HB3 ALA 2 0.462 0.901 -18.820 15 H ARG 3 H ARG 3 -2.829 2.864 -20.205 16 HA ARG 3 HA ARG 3 -0.817 4.451 -21.662 17 HB2 ARG 3 HB2 ARG 3 -2.489 5.412 -22.991 18 HB3 ARG 3 HB3 ARG 3 -2.942 3.716 -22.907 19 HG2 ARG 3 HG2 ARG 3 -4.543 4.281 -21.103 20 HG3 ARG 3 HG3 ARG 3 -4.143 5.984 -21.337 21 HD2 ARG 3 HD2 ARG 3 -4.762 5.554 -23.805 22 HD3 ARG 3 HD3 ARG 3 -5.554 4.103 -23.194 23 HE ARG 3 HE ARG 3 -6.509 6.124 -21.623 24 HH11 ARG 3 HH11 ARG 3 -6.410 5.488 -25.044 25 HH12 ARG 3 HH12 ARG 3 -7.874 6.351 -25.380 26 HH21 ARG 3 HH21 ARG 3 -8.438 7.264 -22.051 27 HH22 ARG 3 HH22 ARG 3 -9.026 7.361 -23.677 28 H GLY 4 H GLY 4 -2.924 4.258 -18.959 29 HA2 GLY 4 HA2 GLY 4 -3.238 7.008 -18.388 30 HA3 GLY 4 HA3 GLY 4 -3.378 5.696 -17.227 31 H TRP 5 H TRP 5 -0.520 4.941 -18.120 32 HA TRP 5 HA TRP 5 0.858 6.977 -16.492 33 HB2 TRP 5 HB2 TRP 5 2.007 4.256 -16.535 34 HB3 TRP 5 HB3 TRP 5 1.845 5.393 -15.200 35 HD1 TRP 5 HD1 TRP 5 -0.980 5.657 -14.465 36 HE1 TRP 5 HE1 TRP 5 -2.554 3.690 -13.936 37 HE3 TRP 5 HE3 TRP 5 1.566 1.916 -16.845 38 HZ2 TRP 5 HZ2 TRP 5 -2.697 0.919 -14.460 39 HZ3 TRP 5 HZ3 TRP 5 0.644 -0.364 -16.783 40 HH2 TRP 5 HH2 TRP 5 -1.444 -0.850 -15.614 41 H LYS 6 H LYS 6 0.639 5.521 -19.484 42 HA LYS 6 HA LYS 6 3.467 5.996 -20.124 43 HB2 LYS 6 HB2 LYS 6 1.318 4.320 -21.369 44 HB3 LYS 6 HB3 LYS 6 2.676 4.857 -22.349 45 HG2 LYS 6 HG2 LYS 6 3.209 2.695 -21.555 46 HG3 LYS 6 HG3 LYS 6 4.194 3.833 -20.633 47 HD2 LYS 6 HD2 LYS 6 3.039 3.469 -18.689 48 HD3 LYS 6 HD3 LYS 6 1.544 3.047 -19.529 49 HE2 LYS 6 HE2 LYS 6 2.648 1.134 -18.370 50 HE3 LYS 6 HE3 LYS 6 2.392 0.887 -20.097 51 HZ1 LYS 6 HZ1 LYS 6 4.559 0.642 -20.412 52 HZ2 LYS 6 HZ2 LYS 6 4.762 0.627 -18.733 53 HZ3 LYS 6 HZ3 LYS 6 4.925 2.076 -19.591 54 H ARG 7 H ARG 7 0.321 7.266 -20.537 55 HA ARG 7 HA ARG 7 1.329 9.134 -22.583 56 HB2 ARG 7 HB2 ARG 7 -0.385 7.815 -23.597 57 HB3 ARG 7 HB3 ARG 7 -1.441 8.002 -22.203 58 HG2 ARG 7 HG2 ARG 7 -0.793 10.589 -23.186 59 HG3 ARG 7 HG3 ARG 7 -1.312 9.584 -24.540 60 HD2 ARG 7 HD2 ARG 7 -2.985 9.188 -22.214 61 HD3 ARG 7 HD3 ARG 7 -2.941 10.882 -22.698 62 HE ARG 7 HE ARG 7 -4.241 8.750 -24.064 63 HH11 ARG 7 HH11 ARG 7 -2.570 11.765 -24.545 64 HH12 ARG 7 HH12 ARG 7 -3.364 12.117 -26.044 65 HH21 ARG 7 HH21 ARG 7 -5.296 9.202 -26.036 66 HH22 ARG 7 HH22 ARG 7 -4.916 10.659 -26.891 67 H LYS 8 H LYS 8 -0.679 8.731 -19.712 68 HA LYS 8 HA LYS 8 -1.104 11.584 -19.448 69 HB2 LYS 8 HB2 LYS 8 -2.143 9.141 -18.185 70 HB3 LYS 8 HB3 LYS 8 -1.947 10.498 -17.083 71 HG2 LYS 8 HG2 LYS 8 -4.175 10.528 -17.935 72 HG3 LYS 8 HG3 LYS 8 -3.292 11.885 -18.641 73 HD2 LYS 8 HD2 LYS 8 -3.306 10.981 -20.737 74 HD3 LYS 8 HD3 LYS 8 -3.310 9.320 -20.139 75 HE2 LYS 8 HE2 LYS 8 -5.695 11.065 -19.695 76 HE3 LYS 8 HE3 LYS 8 -5.442 10.320 -21.272 77 HZ1 LYS 8 HZ1 LYS 8 -5.630 8.195 -20.383 78 HZ2 LYS 8 HZ2 LYS 8 -6.834 9.061 -19.571 79 HZ3 LYS 8 HZ3 LYS 8 -5.373 8.716 -18.794 80 H CYS 9 H CYS 9 1.220 12.069 -19.362 81 HA CYS 9 HA CYS 9 2.739 11.229 -17.077 82 HB2 CYS 9 HB2 CYS 9 3.228 12.670 -19.535 83 HB3 CYS 9 HB3 CYS 9 3.960 13.507 -18.171 84 HG CYS 9 HG CYS 9 6.095 12.111 -18.684 85 HA PRO 10 HA PRO 10 2.100 15.788 -15.643 86 HB2 PRO 10 HB2 PRO 10 0.392 17.335 -17.077 87 HB3 PRO 10 HB3 PRO 10 2.116 17.213 -17.445 88 HG2 PRO 10 HG2 PRO 10 -0.197 15.821 -18.735 89 HG3 PRO 10 HG3 PRO 10 1.220 16.571 -19.491 90 HD2 PRO 10 HD2 PRO 10 1.013 13.898 -19.113 91 HD3 PRO 10 HD3 PRO 10 2.568 14.752 -19.061 92 H LEU 11 H LEU 11 -0.542 13.926 -16.926 93 HA LEU 11 HA LEU 11 -2.498 15.038 -15.110 94 HB2 LEU 11 HB2 LEU 11 -2.487 13.218 -17.392 95 HB3 LEU 11 HB3 LEU 11 -3.589 12.725 -16.108 96 HG LEU 11 HG LEU 11 -3.657 15.506 -17.233 97 HD11 LEU 11 HD11 LEU 11 -5.252 13.170 -18.266 98 HD12 LEU 11 HD12 LEU 11 -3.849 13.852 -19.086 99 HD13 LEU 11 HD13 LEU 11 -5.292 14.837 -18.843 100 HD21 LEU 11 HD21 LEU 11 -5.949 15.442 -16.436 101 HD22 LEU 11 HD22 LEU 11 -4.834 15.049 -15.127 102 HD23 LEU 11 HD23 LEU 11 -5.746 13.766 -15.926 103 H PHE 12 H PHE 12 -1.423 11.680 -15.651 104 HA PHE 12 HA PHE 12 -2.308 10.741 -13.157 105 HB2 PHE 12 HB2 PHE 12 -1.265 9.597 -15.447 106 HB3 PHE 12 HB3 PHE 12 -0.019 9.282 -14.242 107 HD1 PHE 12 HD1 PHE 12 -3.463 8.615 -15.258 108 HD2 PHE 12 HD2 PHE 12 -0.454 7.844 -12.349 109 HE1 PHE 12 HE1 PHE 12 -4.785 6.728 -14.396 110 HE2 PHE 12 HE2 PHE 12 -1.770 5.955 -11.483 111 HZ PHE 12 HZ PHE 12 -3.939 5.394 -12.506 112 H GLY 13 H GLY 13 0.437 12.579 -14.015 113 HA2 GLY 13 HA2 GLY 13 2.138 11.719 -11.864 114 HA3 GLY 13 HA3 GLY 13 2.388 13.119 -12.897 115 H LYS 14 H LYS 14 2.061 15.079 -12.056 116 HA LYS 14 HA LYS 14 1.021 15.234 -9.331 117 HB2 LYS 14 HB2 LYS 14 2.043 17.424 -9.236 118 HB3 LYS 14 HB3 LYS 14 3.211 16.266 -9.860 119 HG2 LYS 14 HG2 LYS 14 2.463 17.062 -12.180 120 HG3 LYS 14 HG3 LYS 14 1.741 18.426 -11.324 121 HD2 LYS 14 HD2 LYS 14 4.556 17.736 -10.685 122 HD3 LYS 14 HD3 LYS 14 4.234 18.486 -12.250 123 HE2 LYS 14 HE2 LYS 14 2.747 20.018 -10.526 124 HE3 LYS 14 HE3 LYS 14 4.172 19.632 -9.562 125 HZ1 LYS 14 HZ1 LYS 14 5.520 20.821 -10.911 126 HZ2 LYS 14 HZ2 LYS 14 4.095 21.677 -11.216 127 HZ3 LYS 14 HZ3 LYS 14 4.624 20.501 -12.310 128 H GLY 15 H GLY 15 -0.107 15.603 -12.446 129 HA2 GLY 15 HA2 GLY 15 -1.654 17.892 -12.455 130 HA3 GLY 15 HA3 GLY 15 -2.098 16.400 -13.272 131 H GLY 16 H GLY 16 -2.175 14.931 -10.683 132 HA2 GLY 16 HA2 GLY 16 -4.893 15.064 -10.162 133 HA3 GLY 16 HA3 GLY 16 -3.702 14.401 -9.053 134 H1 LYS 1 H LYS 1 -7.406 12.059 -10.299 135 HA LYS 1 HA LYS 1 -8.358 11.559 -13.034 136 HB2 LYS 1 HB2 LYS 1 -5.624 12.547 -12.227 137 HB3 LYS 1 HB3 LYS 1 -6.353 12.587 -13.827 138 HG2 LYS 1 HG2 LYS 1 -7.334 14.153 -11.450 139 HG3 LYS 1 HG3 LYS 1 -6.298 14.790 -12.730 140 HD2 LYS 1 HD2 LYS 1 -7.997 14.563 -14.352 141 HD3 LYS 1 HD3 LYS 1 -8.973 13.536 -13.300 142 HE2 LYS 1 HE2 LYS 1 -9.835 15.292 -12.168 143 HE3 LYS 1 HE3 LYS 1 -8.338 16.220 -12.255 144 HZ1 LYS 1 HZ1 LYS 1 -8.874 17.057 -14.317 145 HZ2 LYS 1 HZ2 LYS 1 -10.394 17.005 -13.575 146 HZ3 LYS 1 HZ3 LYS 1 -9.952 15.805 -14.682 147 H TYR 2 H TYR 2 -6.021 10.497 -10.613 148 HA TYR 2 HA TYR 2 -5.427 8.148 -12.287 149 HB2 TYR 2 HB2 TYR 2 -3.468 7.941 -10.576 150 HB3 TYR 2 HB3 TYR 2 -3.362 9.129 -11.871 151 HD1 TYR 2 HD1 TYR 2 -4.936 9.054 -8.474 152 HD2 TYR 2 HD2 TYR 2 -2.372 11.090 -11.192 153 HE1 TYR 2 HE1 TYR 2 -4.593 10.831 -6.809 154 HE2 TYR 2 HE2 TYR 2 -2.020 12.871 -9.534 155 HH TYR 2 HH TYR 2 -3.915 13.129 -6.682 156 H GLU 3 H GLU 3 -7.823 8.139 -10.932 157 HA GLU 3 HA GLU 3 -7.311 6.265 -8.714 158 HB2 GLU 3 HB2 GLU 3 -9.436 8.344 -9.102 159 HB3 GLU 3 HB3 GLU 3 -9.761 6.936 -8.101 160 HG2 GLU 3 HG2 GLU 3 -7.705 7.523 -6.786 161 HG3 GLU 3 HG3 GLU 3 -7.653 9.037 -7.687 162 H ILE 4 H ILE 4 -7.849 6.089 -11.790 163 HA ILE 4 HA ILE 4 -9.909 3.989 -11.576 164 HB ILE 4 HB ILE 4 -9.319 5.711 -13.988 165 HG12 ILE 4 HG12 ILE 4 -11.965 6.076 -13.271 166 HG13 ILE 4 HG13 ILE 4 -11.140 6.013 -11.718 167 HG21 ILE 4 HG21 ILE 4 -11.516 4.606 -14.751 168 HG22 ILE 4 HG22 ILE 4 -10.027 3.667 -14.844 169 HG23 ILE 4 HG23 ILE 4 -11.160 3.393 -13.521 170 HD11 ILE 4 HD11 ILE 4 -10.852 8.203 -12.063 171 HD12 ILE 4 HD12 ILE 4 -9.518 7.684 -13.095 172 HD13 ILE 4 HD13 ILE 4 -11.087 8.065 -13.805 173 H THR 5 H THR 5 -6.847 4.979 -12.977 174 HA THR 5 HA THR 5 -6.460 2.284 -14.079 175 HB THR 5 HB THR 5 -4.316 4.198 -14.594 176 HG1 THR 5 HG1 THR 5 -5.834 5.276 -16.198 177 HG21 THR 5 HG21 THR 5 -6.116 2.459 -16.271 178 HG22 THR 5 HG22 THR 5 -4.422 2.192 -15.861 179 HG23 THR 5 HG23 THR 5 -4.869 3.497 -16.959 180 H THR 6 H THR 6 -5.858 3.940 -11.301 181 HA THR 6 HA THR 6 -3.385 2.423 -10.772 182 HB THR 6 HB THR 6 -3.770 5.180 -10.536 183 HG1 THR 6 HG1 THR 6 -1.799 3.767 -10.706 184 HG21 THR 6 HG21 THR 6 -5.028 4.717 -8.438 185 HG22 THR 6 HG22 THR 6 -3.561 5.663 -8.181 186 HG23 THR 6 HG23 THR 6 -3.584 3.944 -7.787 187 H ILE 7 H ILE 7 -6.619 3.107 -9.802 188 HA ILE 7 HA ILE 7 -6.518 2.261 -7.119 189 HB ILE 7 HB ILE 7 -8.444 3.466 -7.889 190 HG12 ILE 7 HG12 ILE 7 -8.587 1.352 -6.251 191 HG13 ILE 7 HG13 ILE 7 -9.995 2.324 -6.662 192 HG21 ILE 7 HG21 ILE 7 -10.050 2.432 -9.484 193 HG22 ILE 7 HG22 ILE 7 -8.489 2.832 -10.199 194 HG23 ILE 7 HG23 ILE 7 -8.865 1.161 -9.782 195 HD11 ILE 7 HD11 ILE 7 -10.841 0.718 -8.095 196 HD12 ILE 7 HD12 ILE 7 -9.277 -0.075 -8.289 197 HD13 ILE 7 HD13 ILE 7 -10.166 -0.237 -6.775 198 H HIS 8 H HIS 8 -7.021 0.503 -10.138 199 HA HIS 8 HA HIS 8 -7.729 -1.978 -9.029 200 HB2 HIS 8 HB2 HIS 8 -7.248 -0.936 -11.610 201 HB3 HIS 8 HB3 HIS 8 -6.199 -2.340 -11.435 202 HD1 HIS 8 HD1 HIS 8 -7.289 -4.357 -12.327 203 HD2 HIS 8 HD2 HIS 8 -10.037 -1.784 -10.568 204 HE1 HIS 8 HE1 HIS 8 -9.521 -5.492 -12.563 205 H ASN 9 H ASN 9 -4.766 -0.312 -9.036 206 HA ASN 9 HA ASN 9 -2.951 -2.473 -9.048 207 HB2 ASN 9 HB2 ASN 9 -1.340 -0.904 -8.666 208 HB3 ASN 9 HB3 ASN 9 -2.639 0.192 -9.130 209 HD21 ASN 9 HD21 ASN 9 -0.234 0.186 -7.189 210 HD22 ASN 9 HD22 ASN 9 -0.899 0.881 -5.753 211 H LEU 10 H LEU 10 -5.254 -1.528 -6.772 212 HA LEU 10 HA LEU 10 -3.921 -2.267 -4.375 213 HB2 LEU 10 HB2 LEU 10 -5.858 -1.754 -3.322 214 HB3 LEU 10 HB3 LEU 10 -6.160 -0.929 -4.850 215 HG LEU 10 HG LEU 10 -7.205 -3.665 -4.124 216 HD11 LEU 10 HD11 LEU 10 -8.124 -1.039 -3.418 217 HD12 LEU 10 HD12 LEU 10 -8.777 -2.613 -2.968 218 HD13 LEU 10 HD13 LEU 10 -9.299 -1.839 -4.464 219 HD21 LEU 10 HD21 LEU 10 -8.337 -3.677 -6.144 220 HD22 LEU 10 HD22 LEU 10 -6.774 -2.988 -6.585 221 HD23 LEU 10 HD23 LEU 10 -8.174 -1.936 -6.365 222 H PHE 11 H PHE 11 -5.006 -4.089 -6.965 223 HA PHE 11 HA PHE 11 -5.908 -6.413 -5.573 224 HB2 PHE 11 HB2 PHE 11 -5.585 -5.572 -8.322 225 HB3 PHE 11 HB3 PHE 11 -4.987 -7.213 -8.099 226 HD1 PHE 11 HD1 PHE 11 -6.621 -8.465 -9.206 227 HD2 PHE 11 HD2 PHE 11 -7.779 -5.588 -6.292 228 HE1 PHE 11 HE1 PHE 11 -8.928 -9.317 -9.288 229 HE2 PHE 11 HE2 PHE 11 -10.088 -6.435 -6.368 230 HZ PHE 11 HZ PHE 11 -10.665 -8.302 -7.866 231 H ARG 12 H ARG 12 -4.087 -6.452 -4.024 232 HA ARG 12 HA ARG 12 -1.437 -6.897 -4.626 233 HB2 ARG 12 HB2 ARG 12 -1.286 -8.068 -2.457 234 HB3 ARG 12 HB3 ARG 12 -2.205 -6.572 -2.346 235 HG2 ARG 12 HG2 ARG 12 -4.253 -8.159 -2.720 236 HG3 ARG 12 HG3 ARG 12 -3.135 -9.391 -2.132 237 HD2 ARG 12 HD2 ARG 12 -2.699 -7.557 -0.264 238 HD3 ARG 12 HD3 ARG 12 -4.331 -7.069 -0.717 239 HE ARG 12 HE ARG 12 -4.139 -9.877 -0.244 240 HH11 ARG 12 HH11 ARG 12 -4.422 -6.780 1.320 241 HH12 ARG 12 HH12 ARG 12 -5.188 -7.420 2.737 242 HH21 ARG 12 HH21 ARG 12 -5.147 -10.731 1.615 243 HH22 ARG 12 HH22 ARG 12 -5.599 -9.668 2.904 244 H LYS 13 H LYS 13 -4.125 -9.144 -4.753 245 HA LYS 13 HA LYS 13 -2.650 -11.530 -4.991 246 HB2 LYS 13 HB2 LYS 13 -5.302 -10.907 -4.808 247 HB3 LYS 13 HB3 LYS 13 -5.181 -11.408 -6.490 248 HG2 LYS 13 HG2 LYS 13 -3.801 -13.389 -5.251 249 HG3 LYS 13 HG3 LYS 13 -5.014 -12.991 -4.032 250 HD2 LYS 13 HD2 LYS 13 -6.739 -13.170 -5.870 251 HD3 LYS 13 HD3 LYS 13 -5.464 -13.851 -6.884 252 HE2 LYS 13 HE2 LYS 13 -5.604 -15.124 -4.277 253 HE3 LYS 13 HE3 LYS 13 -7.126 -15.243 -5.158 254 HZ1 LYS 13 HZ1 LYS 13 -5.962 -17.087 -5.869 255 HZ2 LYS 13 HZ2 LYS 13 -4.473 -16.286 -5.903 256 HZ3 LYS 13 HZ3 LYS 13 -5.629 -15.975 -7.099 257 H LEU 14 H LEU 14 -3.715 -9.155 -7.362 258 HA LEU 14 HA LEU 14 -2.487 -10.722 -9.512 259 HB2 LEU 14 HB2 LEU 14 -4.833 -9.343 -9.435 260 HB3 LEU 14 HB3 LEU 14 -3.758 -8.164 -10.182 261 HG LEU 14 HG LEU 14 -3.251 -10.482 -11.597 262 HD11 LEU 14 HD11 LEU 14 -6.126 -10.369 -10.765 263 HD12 LEU 14 HD12 LEU 14 -5.038 -11.756 -10.830 264 HD13 LEU 14 HD13 LEU 14 -5.652 -11.046 -12.323 265 HD21 LEU 14 HD21 LEU 14 -5.348 -8.569 -12.515 266 HD22 LEU 14 HD22 LEU 14 -3.994 -9.269 -13.404 267 HD23 LEU 14 HD23 LEU 14 -3.708 -7.984 -12.228 268 H THR 15 H THR 15 -0.483 -10.281 -10.116 269 HA THR 15 HA THR 15 1.176 -8.373 -9.054 270 HB THR 15 HB THR 15 2.310 -8.618 -11.495 271 HG1 THR 15 HG1 THR 15 1.744 -10.637 -12.346 272 HG21 THR 15 HG21 THR 15 2.442 -10.018 -8.960 273 HG22 THR 15 HG22 THR 15 3.743 -9.541 -10.051 274 HG23 THR 15 HG23 THR 15 2.892 -11.063 -10.307 275 H HIS 16 H HIS 16 0.645 -6.266 -8.958 276 HA HIS 16 HA HIS 16 0.023 -4.905 -11.497 277 HB2 HIS 16 HB2 HIS 16 -1.239 -4.722 -8.831 278 HB3 HIS 16 HB3 HIS 16 -0.955 -3.185 -9.641 279 HD1 HIS 16 HD1 HIS 16 -3.480 -5.623 -9.297 280 HD2 HIS 16 HD2 HIS 16 -2.020 -3.419 -12.501 281 HE1 HIS 16 HE1 HIS 16 -5.299 -5.676 -11.032 282 H ARG 17 H ARG 17 2.639 -5.417 -10.338 283 HA ARG 17 HA ARG 17 3.551 -2.929 -9.199 284 HB2 ARG 17 HB2 ARG 17 5.775 -3.968 -9.259 285 HB3 ARG 17 HB3 ARG 17 4.587 -5.029 -8.515 286 HG2 ARG 17 HG2 ARG 17 4.380 -6.082 -10.856 287 HG3 ARG 17 HG3 ARG 17 5.911 -5.267 -11.185 288 HD2 ARG 17 HD2 ARG 17 6.286 -7.555 -10.441 289 HD3 ARG 17 HD3 ARG 17 6.924 -6.402 -9.271 290 HE ARG 17 HE ARG 17 4.335 -7.041 -8.481 291 HH11 ARG 17 HH11 ARG 17 7.409 -8.629 -8.874 292 HH12 ARG 17 HH12 ARG 17 7.112 -9.796 -7.629 293 HH21 ARG 17 HH21 ARG 17 3.933 -8.572 -6.839 294 HH22 ARG 17 HH22 ARG 17 5.134 -9.763 -6.473 295 H LEU 18 H LEU 18 2.394 -2.164 -11.449 296 HA LEU 18 HA LEU 18 4.610 -1.696 -13.334 297 HB2 LEU 18 HB2 LEU 18 2.596 -1.176 -14.919 298 HB3 LEU 18 HB3 LEU 18 3.135 -2.833 -14.653 299 HG LEU 18 HG LEU 18 1.301 -3.140 -13.032 300 HD11 LEU 18 HD11 LEU 18 0.609 -1.199 -12.113 301 HD12 LEU 18 HD12 LEU 18 -0.529 -1.225 -13.459 302 HD13 LEU 18 HD13 LEU 18 0.944 -0.262 -13.570 303 HD21 LEU 18 HD21 LEU 18 0.991 -3.803 -15.351 304 HD22 LEU 18 HD22 LEU 18 0.447 -2.176 -15.760 305 HD23 LEU 18 HD23 LEU 18 -0.516 -3.182 -14.677 306 H PHE 19 H PHE 19 2.361 -0.306 -11.192 307 HA PHE 19 HA PHE 19 2.512 2.337 -12.407 308 HB2 PHE 19 HB2 PHE 19 0.353 1.736 -11.538 309 HB3 PHE 19 HB3 PHE 19 1.046 1.291 -9.981 310 HD1 PHE 19 HD1 PHE 19 0.573 2.754 -8.292 311 HD2 PHE 19 HD2 PHE 19 1.136 4.276 -12.227 312 HE1 PHE 19 HE1 PHE 19 0.173 5.035 -7.463 313 HE2 PHE 19 HE2 PHE 19 0.736 6.560 -11.404 314 HZ PHE 19 HZ PHE 19 0.256 6.942 -9.019 315 H ARG 20 H ARG 20 3.107 0.996 -9.152 316 HA ARG 20 HA ARG 20 4.674 3.236 -8.344 317 HB2 ARG 20 HB2 ARG 20 5.050 2.032 -6.304 318 HB3 ARG 20 HB3 ARG 20 3.379 1.771 -6.787 319 HG2 ARG 20 HG2 ARG 20 4.556 -0.353 -7.959 320 HG3 ARG 20 HG3 ARG 20 5.605 -0.134 -6.556 321 HD2 ARG 20 HD2 ARG 20 3.366 0.038 -5.245 322 HD3 ARG 20 HD3 ARG 20 2.680 -0.757 -6.663 323 HE ARG 20 HE ARG 20 3.668 -2.708 -5.995 324 HH11 ARG 20 HH11 ARG 20 5.161 -0.051 -4.314 325 HH12 ARG 20 HH12 ARG 20 6.100 -1.066 -3.271 326 HH21 ARG 20 HH21 ARG 20 4.898 -4.058 -4.627 327 HH22 ARG 20 HH22 ARG 20 5.950 -3.346 -3.451 328 H ARG 21 H ARG 21 5.336 0.538 -10.255 329 HA ARG 21 HA ARG 21 7.950 -0.137 -9.588 330 HB2 ARG 21 HB2 ARG 21 6.208 -0.965 -11.483 331 HB3 ARG 21 HB3 ARG 21 7.316 -0.024 -12.475 332 HG2 ARG 21 HG2 ARG 21 7.988 -2.337 -12.455 333 HG3 ARG 21 HG3 ARG 21 9.191 -1.360 -11.613 334 HD2 ARG 21 HD2 ARG 21 8.662 -2.231 -9.561 335 HD3 ARG 21 HD3 ARG 21 6.998 -2.588 -10.021 336 HE ARG 21 HE ARG 21 7.681 -4.672 -10.630 337 HH11 ARG 21 HH11 ARG 21 10.449 -2.560 -10.626 338 HH12 ARG 21 HH12 ARG 21 11.581 -3.827 -10.966 339 HH21 ARG 21 HH21 ARG 21 9.161 -6.350 -11.077 340 HH22 ARG 21 HH22 ARG 21 10.847 -5.983 -11.223 341 H ASN 22 H ASN 22 7.028 1.998 -12.296 342 HA ASN 22 HA ASN 22 9.488 3.538 -11.784 343 HB2 ASN 22 HB2 ASN 22 8.315 2.521 -14.341 344 HB3 ASN 22 HB3 ASN 22 9.207 4.040 -14.361 345 HD21 ASN 22 HD21 ASN 22 11.397 3.987 -13.451 346 HD22 ASN 22 HD22 ASN 22 12.342 2.558 -13.671 347 H PHE 23 H PHE 23 6.092 3.571 -12.422 348 HA PHE 23 HA PHE 23 6.017 6.448 -12.839 349 HB2 PHE 23 HB2 PHE 23 3.667 4.572 -12.556 350 HB3 PHE 23 HB3 PHE 23 3.680 6.175 -13.282 351 HD1 PHE 23 HD1 PHE 23 3.266 2.959 -14.127 352 HD2 PHE 23 HD2 PHE 23 5.808 6.223 -15.129 353 HE1 PHE 23 HE1 PHE 23 3.685 1.951 -16.332 354 HE2 PHE 23 HE2 PHE 23 6.231 5.220 -17.335 355 HZ PHE 23 HZ PHE 23 5.168 3.082 -17.940 356 H GLY 24 H GLY 24 6.513 4.677 -10.219 357 HA2 GLY 24 HA2 GLY 24 4.546 5.848 -8.440 358 HA3 GLY 24 HA3 GLY 24 5.859 4.772 -7.985 359 H TYR 25 H TYR 25 7.533 6.802 -9.717 360 HA TYR 25 HA TYR 25 8.760 8.116 -7.598 361 HB2 TYR 25 HB2 TYR 25 8.872 8.244 -10.526 362 HB3 TYR 25 HB3 TYR 25 9.297 9.757 -9.734 363 HD1 TYR 25 HD1 TYR 25 11.171 9.770 -8.059 364 HD2 TYR 25 HD2 TYR 25 10.368 6.413 -10.547 365 HE1 TYR 25 HE1 TYR 25 13.429 8.905 -7.611 366 HE2 TYR 25 HE2 TYR 25 12.623 5.538 -10.104 367 HH TYR 25 HH TYR 25 14.762 7.066 -7.769 368 H THR 26 H THR 26 5.926 8.950 -9.403 369 HA THR 26 HA THR 26 5.772 11.693 -9.026 370 HB THR 26 HB THR 26 4.179 10.263 -10.371 371 HG1 THR 26 HG1 THR 26 3.493 12.311 -10.227 372 HG21 THR 26 HG21 THR 26 2.358 9.185 -9.352 373 HG22 THR 26 HG22 THR 26 2.642 9.979 -7.804 374 HG23 THR 26 HG23 THR 26 3.744 8.723 -8.365 375 H LEU 27 H LEU 27 5.118 9.079 -6.783 376 HA LEU 27 HA LEU 27 4.395 11.052 -4.723 377 HB2 LEU 27 HB2 LEU 27 3.146 9.429 -3.629 378 HB3 LEU 27 HB3 LEU 27 2.814 9.137 -5.335 379 HG LEU 27 HG LEU 27 4.866 7.424 -4.939 380 HD11 LEU 27 HD11 LEU 27 3.401 6.743 -2.515 381 HD12 LEU 27 HD12 LEU 27 4.334 8.232 -2.372 382 HD13 LEU 27 HD13 LEU 27 5.136 6.731 -2.836 383 HD21 LEU 27 HD21 LEU 27 3.321 5.830 -5.373 384 HD22 LEU 27 HD22 LEU 27 2.303 7.235 -5.688 385 HD23 LEU 27 HD23 LEU 27 2.210 6.409 -4.132 386 H ARG 28 H ARG 28 6.648 8.573 -5.626 387 HA ARG 28 HA ARG 28 7.875 8.458 -3.002 388 HB2 ARG 28 HB2 ARG 28 7.938 6.876 -5.418 389 HB3 ARG 28 HB3 ARG 28 9.572 7.236 -4.876 390 HG2 ARG 28 HG2 ARG 28 7.875 6.423 -2.679 391 HG3 ARG 28 HG3 ARG 28 7.927 5.210 -3.960 392 HD2 ARG 28 HD2 ARG 28 10.148 4.795 -3.666 393 HD3 ARG 28 HD3 ARG 28 10.496 6.441 -3.142 394 HE ARG 28 HE ARG 28 10.129 5.794 -0.977 395 HH11 ARG 28 HH11 ARG 28 8.864 3.367 -3.128 396 HH12 ARG 28 HH12 ARG 28 8.535 2.230 -1.862 397 HH21 ARG 28 HH21 ARG 28 9.702 4.306 0.698 398 HH22 ARG 28 HH22 ARG 28 9.012 2.766 0.313 Start of MODEL 8 1 H1 VAL 1 H VAL 1 8.632 4.216 -0.096 2 HA VAL 1 HA VAL 1 6.925 5.681 0.877 3 HB VAL 1 HB VAL 1 7.679 7.900 -0.050 4 HG11 VAL 1 HG11 VAL 1 9.281 7.753 1.481 5 HG12 VAL 1 HG12 VAL 1 9.052 6.003 1.499 6 HG13 VAL 1 HG13 VAL 1 10.251 6.724 0.426 7 HG21 VAL 1 HG21 VAL 1 9.408 7.993 -1.684 8 HG22 VAL 1 HG22 VAL 1 9.572 6.237 -1.701 9 HG23 VAL 1 HG23 VAL 1 8.117 6.994 -2.350 10 H ALA 2 H ALA 2 4.981 6.650 0.634 11 HA ALA 2 HA ALA 2 3.616 6.276 -1.898 12 HB1 ALA 2 1HB ALA 2 1.613 7.033 -0.628 13 HB2 ALA 2 HB2 ALA 2 2.415 5.625 0.069 14 HB3 ALA 2 HB3 ALA 2 2.642 7.216 0.793 15 H ARG 3 H ARG 3 4.732 7.847 -3.161 16 HA ARG 3 HA ARG 3 3.966 10.625 -2.538 17 HB2 ARG 3 HB2 ARG 3 5.981 11.114 -4.141 18 HB3 ARG 3 HB3 ARG 3 6.269 10.738 -2.448 19 HG2 ARG 3 HG2 ARG 3 6.882 8.491 -2.979 20 HG3 ARG 3 HG3 ARG 3 6.391 8.704 -4.661 21 HD2 ARG 3 HD2 ARG 3 8.426 10.565 -3.559 22 HD3 ARG 3 HD3 ARG 3 8.923 8.905 -3.887 23 HE ARG 3 HE ARG 3 7.530 10.037 -6.095 24 HH11 ARG 3 HH11 ARG 3 10.610 9.988 -4.473 25 HH12 ARG 3 HH12 ARG 3 11.513 10.387 -5.897 26 HH21 ARG 3 HH21 ARG 3 8.709 10.563 -7.977 27 HH22 ARG 3 HH22 ARG 3 10.430 10.715 -7.889 28 H GLY 4 H GLY 4 3.790 8.034 -4.764 29 HA2 GLY 4 HA2 GLY 4 3.344 9.499 -7.154 30 HA3 GLY 4 HA3 GLY 4 2.884 7.827 -6.866 31 H TRP 5 H TRP 5 1.386 8.968 -4.404 32 HA TRP 5 HA TRP 5 -0.969 9.918 -5.901 33 HB2 TRP 5 HB2 TRP 5 -1.459 8.508 -3.354 34 HB3 TRP 5 HB3 TRP 5 -2.331 8.417 -4.881 35 HD1 TRP 5 HD1 TRP 5 -0.677 7.052 -6.879 36 HE1 TRP 5 HE1 TRP 5 0.445 4.760 -6.548 37 HE3 TRP 5 HE3 TRP 5 -0.621 6.910 -1.770 38 HZ2 TRP 5 HZ2 TRP 5 1.247 3.109 -4.403 39 HZ3 TRP 5 HZ3 TRP 5 0.342 4.938 -0.655 40 HH2 TRP 5 HH2 TRP 5 1.255 3.078 -1.947 41 H LYS 6 H LYS 6 1.297 10.647 -3.569 42 HA LYS 6 HA LYS 6 -0.507 12.480 -2.146 43 HB2 LYS 6 HB2 LYS 6 2.072 11.153 -1.430 44 HB3 LYS 6 HB3 LYS 6 1.680 12.695 -0.681 45 HG2 LYS 6 HG2 LYS 6 0.996 10.855 0.735 46 HG3 LYS 6 HG3 LYS 6 -0.413 11.752 0.164 47 HD2 LYS 6 HD2 LYS 6 -1.089 10.051 -1.243 48 HD3 LYS 6 HD3 LYS 6 0.533 9.367 -1.367 49 HE2 LYS 6 HE2 LYS 6 0.257 8.078 0.452 50 HE3 LYS 6 HE3 LYS 6 -0.580 9.349 1.343 51 HZ1 LYS 6 HZ1 LYS 6 -2.588 8.624 0.670 52 HZ2 LYS 6 HZ2 LYS 6 -1.779 7.151 0.476 53 HZ3 LYS 6 HZ3 LYS 6 -2.047 8.150 -0.862 54 H ARG 7 H ARG 7 2.143 12.325 -4.346 55 HA ARG 7 HA ARG 7 2.383 15.261 -4.247 56 HB2 ARG 7 HB2 ARG 7 4.465 14.312 -3.524 57 HB3 ARG 7 HB3 ARG 7 4.480 13.180 -4.871 58 HG2 ARG 7 HG2 ARG 7 4.324 15.763 -5.982 59 HG3 ARG 7 HG3 ARG 7 5.558 15.814 -4.721 60 HD2 ARG 7 HD2 ARG 7 6.909 14.310 -5.792 61 HD3 ARG 7 HD3 ARG 7 5.560 13.509 -6.598 62 HE ARG 7 HE ARG 7 5.573 15.906 -7.794 63 HH11 ARG 7 HH11 ARG 7 8.125 13.635 -7.123 64 HH12 ARG 7 HH12 ARG 7 9.066 14.084 -8.507 65 HH21 ARG 7 HH21 ARG 7 6.803 16.507 -9.618 66 HH22 ARG 7 HH22 ARG 7 8.314 15.719 -9.925 67 H LYS 8 H LYS 8 2.528 12.405 -6.344 68 HA LYS 8 HA LYS 8 2.384 13.995 -8.747 69 HB2 LYS 8 HB2 LYS 8 2.873 11.207 -8.061 70 HB3 LYS 8 HB3 LYS 8 1.808 11.371 -9.450 71 HG2 LYS 8 HG2 LYS 8 4.043 11.211 -10.247 72 HG3 LYS 8 HG3 LYS 8 3.500 12.873 -10.488 73 HD2 LYS 8 HD2 LYS 8 4.902 13.708 -8.877 74 HD3 LYS 8 HD3 LYS 8 4.919 12.200 -7.959 75 HE2 LYS 8 HE2 LYS 8 7.041 12.213 -8.849 76 HE3 LYS 8 HE3 LYS 8 6.166 11.272 -10.056 77 HZ1 LYS 8 HZ1 LYS 8 6.456 12.844 -11.600 78 HZ2 LYS 8 HZ2 LYS 8 7.694 13.414 -10.599 79 HZ3 LYS 8 HZ3 LYS 8 6.157 14.119 -10.529 80 H CYS 9 H CYS 9 0.323 14.969 -7.656 81 HA CYS 9 HA CYS 9 -2.078 13.412 -7.929 82 HB2 CYS 9 HB2 CYS 9 -1.327 15.924 -6.754 83 HB3 CYS 9 HB3 CYS 9 -2.731 16.159 -7.789 84 HG CYS 9 HG CYS 9 -3.406 15.748 -5.024 85 HA PRO 10 HA PRO 10 -2.905 16.364 -11.648 86 HB2 PRO 10 HB2 PRO 10 -0.913 18.050 -12.392 87 HB3 PRO 10 HB3 PRO 10 -2.134 18.479 -11.189 88 HG2 PRO 10 HG2 PRO 10 0.669 17.510 -10.781 89 HG3 PRO 10 HG3 PRO 10 -0.201 18.806 -9.939 90 HD2 PRO 10 HD2 PRO 10 0.116 16.335 -8.877 91 HD3 PRO 10 HD3 PRO 10 -1.318 17.333 -8.563 92 H LEU 11 H LEU 11 -0.106 14.554 -11.100 93 HA LEU 11 HA LEU 11 0.524 14.291 -13.945 94 HB2 LEU 11 HB2 LEU 11 1.936 13.683 -11.407 95 HB3 LEU 11 HB3 LEU 11 2.303 12.675 -12.805 96 HG LEU 11 HG LEU 11 2.410 15.564 -13.322 97 HD11 LEU 11 HD11 LEU 11 4.449 15.981 -12.160 98 HD12 LEU 11 HD12 LEU 11 4.531 14.315 -11.586 99 HD13 LEU 11 HD13 LEU 11 3.273 15.396 -10.983 100 HD21 LEU 11 HD21 LEU 11 4.316 13.280 -13.823 101 HD22 LEU 11 HD22 LEU 11 4.450 14.907 -14.488 102 HD23 LEU 11 HD23 LEU 11 3.096 13.875 -14.948 103 H PHE 12 H PHE 12 0.577 11.870 -11.349 104 HA PHE 12 HA PHE 12 -0.289 9.794 -13.085 105 HB2 PHE 12 HB2 PHE 12 0.731 10.013 -10.425 106 HB3 PHE 12 HB3 PHE 12 -0.736 9.041 -10.380 107 HD1 PHE 12 HD1 PHE 12 2.704 8.898 -10.725 108 HD2 PHE 12 HD2 PHE 12 -0.857 7.262 -12.385 109 HE1 PHE 12 HE1 PHE 12 3.977 6.952 -11.528 110 HE2 PHE 12 HE2 PHE 12 0.410 5.312 -13.190 111 HZ PHE 12 HZ PHE 12 2.830 5.155 -12.760 112 H GLY 13 H GLY 13 -1.938 12.122 -11.163 113 HA2 GLY 13 HA2 GLY 13 -4.435 10.592 -11.203 114 HA3 GLY 13 HA3 GLY 13 -4.156 12.097 -10.338 115 H LYS 14 H LYS 14 -4.414 14.057 -11.395 116 HA LYS 14 HA LYS 14 -6.404 14.289 -13.273 117 HB2 LYS 14 HB2 LYS 14 -5.234 16.089 -11.806 118 HB3 LYS 14 HB3 LYS 14 -4.168 16.290 -13.190 119 HG2 LYS 14 HG2 LYS 14 -5.651 17.616 -14.152 120 HG3 LYS 14 HG3 LYS 14 -6.846 16.317 -14.130 121 HD2 LYS 14 HD2 LYS 14 -6.933 17.132 -11.548 122 HD3 LYS 14 HD3 LYS 14 -6.550 18.651 -12.362 123 HE2 LYS 14 HE2 LYS 14 -8.624 18.839 -13.155 124 HE3 LYS 14 HE3 LYS 14 -8.608 17.186 -13.769 125 HZ1 LYS 14 HZ1 LYS 14 -8.829 17.189 -10.947 126 HZ2 LYS 14 HZ2 LYS 14 -9.885 16.540 -12.097 127 HZ3 LYS 14 HZ3 LYS 14 -10.044 18.155 -11.619 128 H GLY 15 H GLY 15 -2.895 14.280 -13.852 129 HA2 GLY 15 HA2 GLY 15 -3.204 14.488 -16.703 130 HA3 GLY 15 HA3 GLY 15 -1.707 14.183 -15.833 131 H GLY 16 H GLY 16 -4.810 12.478 -16.318 132 HA2 GLY 16 HA2 GLY 16 -3.264 10.001 -16.699 133 HA3 GLY 16 HA3 GLY 16 -4.950 10.079 -16.214 134 H1 LYS 1 H LYS 1 -9.225 12.005 -9.719 135 HA LYS 1 HA LYS 1 -8.820 11.402 -6.862 136 HB2 LYS 1 HB2 LYS 1 -10.621 9.664 -7.167 137 HB3 LYS 1 HB3 LYS 1 -11.169 11.334 -7.241 138 HG2 LYS 1 HG2 LYS 1 -11.125 11.192 -9.712 139 HG3 LYS 1 HG3 LYS 1 -10.708 9.483 -9.570 140 HD2 LYS 1 HD2 LYS 1 -12.992 9.359 -9.811 141 HD3 LYS 1 HD3 LYS 1 -12.841 9.399 -8.051 142 HE2 LYS 1 HE2 LYS 1 -13.997 11.295 -7.937 143 HE3 LYS 1 HE3 LYS 1 -12.936 12.071 -9.113 144 HZ1 LYS 1 HZ1 LYS 1 -15.302 10.383 -9.723 145 HZ2 LYS 1 HZ2 LYS 1 -14.250 11.023 -10.882 146 HZ3 LYS 1 HZ3 LYS 1 -15.184 12.058 -9.925 147 H TYR 2 H TYR 2 -7.145 10.096 -6.584 148 HA TYR 2 HA TYR 2 -6.307 8.334 -8.759 149 HB2 TYR 2 HB2 TYR 2 -4.281 7.990 -7.276 150 HB3 TYR 2 HB3 TYR 2 -4.515 9.627 -7.879 151 HD1 TYR 2 HD1 TYR 2 -5.082 7.473 -4.900 152 HD2 TYR 2 HD2 TYR 2 -4.631 11.431 -6.394 153 HE1 TYR 2 HE1 TYR 2 -4.999 8.326 -2.596 154 HE2 TYR 2 HE2 TYR 2 -4.547 12.296 -4.092 155 HH TYR 2 HH TYR 2 -4.621 11.798 -1.934 156 H GLU 3 H GLU 3 -8.660 7.853 -6.959 157 HA GLU 3 HA GLU 3 -8.013 5.710 -5.210 158 HB2 GLU 3 HB2 GLU 3 -10.025 6.801 -4.715 159 HB3 GLU 3 HB3 GLU 3 -10.569 6.757 -6.386 160 HG2 GLU 3 HG2 GLU 3 -11.467 4.714 -6.179 161 HG3 GLU 3 HG3 GLU 3 -10.162 4.129 -5.148 162 H ILE 4 H ILE 4 -9.057 5.897 -8.568 163 HA ILE 4 HA ILE 4 -9.258 3.021 -8.823 164 HB ILE 4 HB ILE 4 -10.089 3.353 -10.957 165 HG12 ILE 4 HG12 ILE 4 -8.219 4.548 -11.919 166 HG13 ILE 4 HG13 ILE 4 -9.697 5.431 -12.281 167 HG21 ILE 4 HG21 ILE 4 -11.678 5.195 -10.837 168 HG22 ILE 4 HG22 ILE 4 -11.548 4.377 -9.281 169 HG23 ILE 4 HG23 ILE 4 -10.748 5.928 -9.531 170 HD11 ILE 4 HD11 ILE 4 -9.146 6.862 -10.257 171 HD12 ILE 4 HD12 ILE 4 -7.547 6.120 -10.312 172 HD13 ILE 4 HD13 ILE 4 -8.133 7.059 -11.686 173 H THR 5 H THR 5 -6.686 4.861 -8.432 174 HA THR 5 HA THR 5 -5.057 3.369 -10.386 175 HB THR 5 HB THR 5 -3.486 5.511 -9.607 176 HG1 THR 5 HG1 THR 5 -5.115 7.251 -10.256 177 HG21 THR 5 HG21 THR 5 -5.259 5.481 -12.044 178 HG22 THR 5 HG22 THR 5 -3.828 4.465 -11.878 179 HG23 THR 5 HG23 THR 5 -3.669 6.221 -11.871 180 H THR 6 H THR 6 -5.612 4.172 -7.097 181 HA THR 6 HA THR 6 -3.054 2.956 -6.299 182 HB THR 6 HB THR 6 -4.750 5.056 -5.103 183 HG1 THR 6 HG1 THR 6 -2.040 4.420 -5.415 184 HG21 THR 6 HG21 THR 6 -5.121 3.453 -3.387 185 HG22 THR 6 HG22 THR 6 -3.832 4.512 -2.811 186 HG23 THR 6 HG23 THR 6 -3.445 2.910 -3.440 187 H ILE 7 H ILE 7 -6.538 2.745 -5.958 188 HA ILE 7 HA ILE 7 -6.284 0.418 -4.204 189 HB ILE 7 HB ILE 7 -8.727 1.952 -5.097 190 HG12 ILE 7 HG12 ILE 7 -8.712 2.279 -2.466 191 HG13 ILE 7 HG13 ILE 7 -6.987 1.987 -2.669 192 HG21 ILE 7 HG21 ILE 7 -8.404 -0.574 -3.553 193 HG22 ILE 7 HG22 ILE 7 -9.700 0.536 -3.112 194 HG23 ILE 7 HG23 ILE 7 -9.625 -0.128 -4.745 195 HD11 ILE 7 HD11 ILE 7 -7.356 3.821 -4.582 196 HD12 ILE 7 HD12 ILE 7 -8.625 4.302 -3.455 197 HD13 ILE 7 HD13 ILE 7 -6.949 4.221 -2.914 198 H HIS 8 H HIS 8 -7.328 1.333 -7.427 199 HA HIS 8 HA HIS 8 -8.594 -1.067 -8.154 200 HB2 HIS 8 HB2 HIS 8 -8.259 1.331 -9.364 201 HB3 HIS 8 HB3 HIS 8 -7.096 0.365 -10.267 202 HD1 HIS 8 HD1 HIS 8 -10.674 -0.272 -9.106 203 HD2 HIS 8 HD2 HIS 8 -8.294 -0.541 -12.500 204 HE1 HIS 8 HE1 HIS 8 -12.172 -1.188 -10.907 205 H ASN 9 H ASN 9 -5.312 -0.357 -7.597 206 HA ASN 9 HA ASN 9 -4.021 -2.089 -9.374 207 HB2 ASN 9 HB2 ASN 9 -2.749 -0.482 -8.103 208 HB3 ASN 9 HB3 ASN 9 -3.255 -1.213 -6.584 209 HD21 ASN 9 HD21 ASN 9 -1.837 -2.498 -5.673 210 HD22 ASN 9 HD22 ASN 9 -0.578 -3.366 -6.479 211 H LEU 10 H LEU 10 -6.056 -2.773 -6.737 212 HA LEU 10 HA LEU 10 -5.009 -5.214 -5.829 213 HB2 LEU 10 HB2 LEU 10 -7.036 -5.534 -4.734 214 HB3 LEU 10 HB3 LEU 10 -6.875 -3.782 -4.833 215 HG LEU 10 HG LEU 10 -8.323 -4.409 -7.095 216 HD11 LEU 10 HD11 LEU 10 -9.191 -6.182 -4.819 217 HD12 LEU 10 HD12 LEU 10 -8.689 -6.681 -6.433 218 HD13 LEU 10 HD13 LEU 10 -10.195 -5.790 -6.216 219 HD21 LEU 10 HD21 LEU 10 -8.755 -3.141 -4.500 220 HD22 LEU 10 HD22 LEU 10 -10.232 -3.764 -5.239 221 HD23 LEU 10 HD23 LEU 10 -9.224 -2.612 -6.117 222 H PHE 11 H PHE 11 -6.420 -4.390 -8.801 223 HA PHE 11 HA PHE 11 -7.647 -6.849 -9.477 224 HB2 PHE 11 HB2 PHE 11 -7.115 -4.327 -10.757 225 HB3 PHE 11 HB3 PHE 11 -6.699 -5.645 -11.848 226 HD1 PHE 11 HD1 PHE 11 -9.384 -5.538 -9.290 227 HD2 PHE 11 HD2 PHE 11 -8.403 -5.585 -13.432 228 HE1 PHE 11 HE1 PHE 11 -11.764 -5.819 -9.848 229 HE2 PHE 11 HE2 PHE 11 -10.781 -5.865 -13.995 230 HZ PHE 11 HZ PHE 11 -12.465 -5.982 -12.202 231 H ARG 12 H ARG 12 -6.131 -8.433 -8.783 232 HA ARG 12 HA ARG 12 -3.497 -8.718 -9.410 233 HB2 ARG 12 HB2 ARG 12 -3.904 -11.194 -9.404 234 HB3 ARG 12 HB3 ARG 12 -4.565 -10.340 -8.016 235 HG2 ARG 12 HG2 ARG 12 -6.779 -10.337 -9.176 236 HG3 ARG 12 HG3 ARG 12 -6.065 -11.387 -10.401 237 HD2 ARG 12 HD2 ARG 12 -5.359 -12.654 -8.089 238 HD3 ARG 12 HD3 ARG 12 -6.939 -11.992 -7.671 239 HE ARG 12 HE ARG 12 -6.401 -14.156 -9.455 240 HH11 ARG 12 HH11 ARG 12 -8.593 -11.534 -8.792 241 HH12 ARG 12 HH12 ARG 12 -9.941 -12.289 -9.576 242 HH21 ARG 12 HH21 ARG 12 -8.168 -15.161 -10.492 243 HH22 ARG 12 HH22 ARG 12 -9.698 -14.352 -10.543 244 H LYS 13 H LYS 13 -6.251 -9.285 -11.522 245 HA LYS 13 HA LYS 13 -4.802 -10.487 -13.643 246 HB2 LYS 13 HB2 LYS 13 -7.518 -9.570 -13.153 247 HB3 LYS 13 HB3 LYS 13 -6.998 -9.227 -14.798 248 HG2 LYS 13 HG2 LYS 13 -6.169 -11.769 -14.584 249 HG3 LYS 13 HG3 LYS 13 -7.542 -11.804 -13.476 250 HD2 LYS 13 HD2 LYS 13 -8.922 -10.775 -15.300 251 HD3 LYS 13 HD3 LYS 13 -7.549 -11.006 -16.384 252 HE2 LYS 13 HE2 LYS 13 -8.570 -13.325 -14.810 253 HE3 LYS 13 HE3 LYS 13 -9.463 -12.795 -16.234 254 HZ1 LYS 13 HZ1 LYS 13 -7.909 -13.603 -17.598 255 HZ2 LYS 13 HZ2 LYS 13 -7.387 -14.508 -16.268 256 HZ3 LYS 13 HZ3 LYS 13 -6.622 -13.048 -16.651 257 H LEU 14 H LEU 14 -5.832 -7.153 -13.007 258 HA LEU 14 HA LEU 14 -4.014 -6.270 -15.151 259 HB2 LEU 14 HB2 LEU 14 -6.629 -5.834 -15.159 260 HB3 LEU 14 HB3 LEU 14 -6.159 -4.485 -14.128 261 HG LEU 14 HG LEU 14 -4.469 -4.458 -16.407 262 HD11 LEU 14 HD11 LEU 14 -5.754 -4.754 -18.227 263 HD12 LEU 14 HD12 LEU 14 -7.201 -4.123 -17.440 264 HD13 LEU 14 HD13 LEU 14 -6.698 -5.788 -17.155 265 HD21 LEU 14 HD21 LEU 14 -6.717 -2.558 -16.225 266 HD22 LEU 14 HD22 LEU 14 -4.984 -2.262 -16.376 267 HD23 LEU 14 HD23 LEU 14 -5.676 -2.666 -14.804 268 H THR 15 H THR 15 -2.713 -6.735 -12.925 269 HA THR 15 HA THR 15 -2.703 -4.494 -11.118 270 HB THR 15 HB THR 15 -0.389 -5.750 -10.531 271 HG1 THR 15 HG1 THR 15 -0.305 -7.485 -11.756 272 HG21 THR 15 HG21 THR 15 -3.205 -6.116 -9.697 273 HG22 THR 15 HG22 THR 15 -1.791 -5.660 -8.746 274 HG23 THR 15 HG23 THR 15 -2.061 -7.350 -9.172 275 H HIS 16 H HIS 16 -1.721 -2.625 -11.476 276 HA HIS 16 HA HIS 16 0.069 -2.284 -13.701 277 HB2 HIS 16 HB2 HIS 16 -0.413 -0.183 -11.614 278 HB3 HIS 16 HB3 HIS 16 -0.134 0.013 -13.341 279 HD1 HIS 16 HD1 HIS 16 -2.173 -0.351 -14.919 280 HD2 HIS 16 HD2 HIS 16 -3.062 -0.593 -10.867 281 HE1 HIS 16 HE1 HIS 16 -4.681 -0.238 -14.772 282 H ARG 17 H ARG 17 2.057 -3.123 -13.466 283 HA ARG 17 HA ARG 17 3.452 -3.386 -11.044 284 HB2 ARG 17 HB2 ARG 17 4.410 -3.353 -13.906 285 HB3 ARG 17 HB3 ARG 17 5.464 -3.704 -12.543 286 HG2 ARG 17 HG2 ARG 17 4.400 -5.716 -12.075 287 HG3 ARG 17 HG3 ARG 17 2.950 -5.267 -12.976 288 HD2 ARG 17 HD2 ARG 17 5.144 -5.188 -14.769 289 HD3 ARG 17 HD3 ARG 17 5.238 -6.704 -13.874 290 HE ARG 17 HE ARG 17 2.601 -6.210 -14.820 291 HH11 ARG 17 HH11 ARG 17 5.754 -7.309 -15.804 292 HH12 ARG 17 HH12 ARG 17 5.153 -8.282 -17.105 293 HH21 ARG 17 HH21 ARG 17 1.796 -7.489 -16.529 294 HH22 ARG 17 HH22 ARG 17 2.901 -8.384 -17.516 295 H LEU 18 H LEU 18 2.901 -0.664 -13.003 296 HA LEU 18 HA LEU 18 5.269 0.770 -12.126 297 HB2 LEU 18 HB2 LEU 18 4.193 2.669 -13.386 298 HB3 LEU 18 HB3 LEU 18 4.635 1.251 -14.337 299 HG LEU 18 HG LEU 18 1.920 0.992 -13.480 300 HD11 LEU 18 HD11 LEU 18 1.022 2.927 -14.806 301 HD12 LEU 18 HD12 LEU 18 2.641 3.621 -14.756 302 HD13 LEU 18 HD13 LEU 18 1.753 3.350 -13.257 303 HD21 LEU 18 HD21 LEU 18 3.487 1.053 -15.996 304 HD22 LEU 18 HD22 LEU 18 1.746 1.303 -16.117 305 HD23 LEU 18 HD23 LEU 18 2.376 -0.170 -15.379 306 H PHE 19 H PHE 19 2.738 -0.134 -10.478 307 HA PHE 19 HA PHE 19 2.428 2.443 -9.083 308 HB2 PHE 19 HB2 PHE 19 0.436 0.444 -9.930 309 HB3 PHE 19 HB3 PHE 19 0.245 1.025 -8.280 310 HD1 PHE 19 HD1 PHE 19 -0.112 3.436 -7.855 311 HD2 PHE 19 HD2 PHE 19 -0.078 1.815 -11.791 312 HE1 PHE 19 HE1 PHE 19 -1.225 5.463 -8.697 313 HE2 PHE 19 HE2 PHE 19 -1.189 3.839 -12.639 314 HZ PHE 19 HZ PHE 19 -1.763 5.667 -11.091 315 H ARG 20 H ARG 20 3.475 -0.768 -8.900 316 HA ARG 20 HA ARG 20 3.572 -0.620 -5.958 317 HB2 ARG 20 HB2 ARG 20 3.421 -2.998 -5.837 318 HB3 ARG 20 HB3 ARG 20 2.135 -2.454 -6.906 319 HG2 ARG 20 HG2 ARG 20 3.974 -2.917 -8.751 320 HG3 ARG 20 HG3 ARG 20 4.575 -4.021 -7.513 321 HD2 ARG 20 HD2 ARG 20 1.691 -4.006 -8.342 322 HD3 ARG 20 HD3 ARG 20 2.902 -4.927 -9.236 323 HE ARG 20 HE ARG 20 2.990 -5.479 -6.440 324 HH11 ARG 20 HH11 ARG 20 1.274 -6.195 -9.383 325 HH12 ARG 20 HH12 ARG 20 0.729 -7.748 -8.841 326 HH21 ARG 20 HH21 ARG 20 2.279 -7.521 -5.715 327 HH22 ARG 20 HH22 ARG 20 1.300 -8.501 -6.755 328 H ARG 21 H ARG 21 5.354 -0.657 -8.819 329 HA ARG 21 HA ARG 21 7.674 -2.045 -8.064 330 HB2 ARG 21 HB2 ARG 21 6.899 -0.151 -10.167 331 HB3 ARG 21 HB3 ARG 21 8.599 -0.064 -9.725 332 HG2 ARG 21 HG2 ARG 21 8.917 -2.382 -10.235 333 HG3 ARG 21 HG3 ARG 21 7.185 -2.607 -10.490 334 HD2 ARG 21 HD2 ARG 21 7.319 -0.957 -12.356 335 HD3 ARG 21 HD3 ARG 21 9.071 -0.940 -12.149 336 HE ARG 21 HE ARG 21 7.492 -2.988 -13.404 337 HH11 ARG 21 HH11 ARG 21 10.484 -2.275 -11.772 338 HH12 ARG 21 HH12 ARG 21 11.338 -3.606 -12.479 339 HH21 ARG 21 HH21 ARG 21 8.607 -4.743 -14.341 340 HH22 ARG 21 HH22 ARG 21 10.269 -5.009 -13.941 341 H ASN 22 H ASN 22 6.974 1.449 -7.947 342 HA ASN 22 HA ASN 22 9.059 1.692 -5.877 343 HB2 ASN 22 HB2 ASN 22 8.448 3.381 -8.254 344 HB3 ASN 22 HB3 ASN 22 8.978 4.199 -6.787 345 HD21 ASN 22 HD21 ASN 22 11.006 4.766 -7.191 346 HD22 ASN 22 HD22 ASN 22 12.260 3.697 -7.710 347 H PHE 23 H PHE 23 5.899 2.743 -7.008 348 HA PHE 23 HA PHE 23 5.401 4.437 -4.745 349 HB2 PHE 23 HB2 PHE 23 3.382 3.309 -6.691 350 HB3 PHE 23 HB3 PHE 23 3.193 4.726 -5.664 351 HD1 PHE 23 HD1 PHE 23 4.966 6.619 -6.048 352 HD2 PHE 23 HD2 PHE 23 3.997 3.599 -8.886 353 HE1 PHE 23 HE1 PHE 23 5.830 8.045 -7.857 354 HE2 PHE 23 HE2 PHE 23 4.860 5.020 -10.698 355 HZ PHE 23 HZ PHE 23 5.779 7.246 -10.186 356 H GLY 24 H GLY 24 5.545 1.149 -5.081 357 HA2 GLY 24 HA2 GLY 24 3.378 0.600 -3.184 358 HA3 GLY 24 HA3 GLY 24 4.281 -0.602 -4.095 359 H TYR 25 H TYR 25 6.699 1.211 -3.163 360 HA TYR 25 HA TYR 25 7.740 -0.509 -1.278 361 HB2 TYR 25 HB2 TYR 25 8.393 2.141 -2.301 362 HB3 TYR 25 HB3 TYR 25 8.877 1.936 -0.621 363 HD1 TYR 25 HD1 TYR 25 10.201 -0.260 -0.088 364 HD2 TYR 25 HD2 TYR 25 9.811 1.409 -3.982 365 HE1 TYR 25 HE1 TYR 25 12.202 -1.493 -0.811 366 HE2 TYR 25 HE2 TYR 25 11.811 0.179 -4.717 367 HH TYR 25 HH TYR 25 13.987 -1.192 -2.646 368 H THR 26 H THR 26 5.592 2.212 -0.830 369 HA THR 26 HA THR 26 5.888 2.530 1.953 370 HB THR 26 HB THR 26 3.178 3.064 1.085 371 HG1 THR 26 HG1 THR 26 3.607 3.661 -0.896 372 HG21 THR 26 HG21 THR 26 5.506 4.774 1.957 373 HG22 THR 26 HG22 THR 26 4.151 4.222 2.942 374 HG23 THR 26 HG23 THR 26 3.885 5.401 1.658 375 H LEU 27 H LEU 27 5.392 1.171 3.533 376 HA LEU 27 HA LEU 27 3.682 -1.112 3.018 377 HB2 LEU 27 HB2 LEU 27 5.334 -0.269 5.386 378 HB3 LEU 27 HB3 LEU 27 4.305 -1.700 5.394 379 HG LEU 27 HG LEU 27 6.340 -1.456 3.238 380 HD11 LEU 27 HD11 LEU 27 8.147 -2.098 4.554 381 HD12 LEU 27 HD12 LEU 27 7.124 -2.516 5.928 382 HD13 LEU 27 HD13 LEU 27 7.379 -0.824 5.501 383 HD21 LEU 27 HD21 LEU 27 4.593 -3.323 3.603 384 HD22 LEU 27 HD22 LEU 27 5.667 -3.857 4.897 385 HD23 LEU 27 HD23 LEU 27 6.259 -3.776 3.237 386 H ARG 28 H ARG 28 3.597 1.895 4.803 387 HA ARG 28 HA ARG 28 0.850 1.254 5.659 388 HB2 ARG 28 HB2 ARG 28 3.088 2.160 7.183 389 HB3 ARG 28 HB3 ARG 28 1.876 3.434 7.168 390 HG2 ARG 28 HG2 ARG 28 1.345 2.176 9.046 391 HG3 ARG 28 HG3 ARG 28 0.216 1.597 7.820 392 HD2 ARG 28 HD2 ARG 28 2.552 0.035 7.588 393 HD3 ARG 28 HD3 ARG 28 2.177 0.137 9.308 394 HE ARG 28 HE ARG 28 -0.164 -0.457 7.855 395 HH11 ARG 28 HH11 ARG 28 2.838 -1.897 8.869 396 HH12 ARG 28 HH12 ARG 28 2.207 -3.510 8.893 397 HH21 ARG 28 HH21 ARG 28 -1.007 -2.576 7.881 398 HH22 ARG 28 HH22 ARG 28 0.019 -3.895 8.329 Start of MODEL 9 1 H1 VAL 1 H VAL 1 -2.807 0.329 -22.818 2 HA VAL 1 HA VAL 1 -2.717 2.655 -22.556 3 HB VAL 1 HB VAL 1 -5.330 1.871 -21.255 4 HG11 VAL 1 HG11 VAL 1 -5.973 4.124 -22.416 5 HG12 VAL 1 HG12 VAL 1 -5.196 4.131 -20.832 6 HG13 VAL 1 HG13 VAL 1 -4.246 4.455 -22.283 7 HG21 VAL 1 HG21 VAL 1 -5.636 0.896 -23.267 8 HG22 VAL 1 HG22 VAL 1 -5.964 2.549 -23.787 9 HG23 VAL 1 HG23 VAL 1 -4.367 1.844 -24.041 10 H ALA 2 H ALA 2 -1.117 3.286 -21.156 11 HA ALA 2 HA ALA 2 -1.858 3.509 -18.313 12 HB1 ALA 2 1HB ALA 2 0.782 3.080 -19.658 13 HB2 ALA 2 HB2 ALA 2 0.696 3.774 -18.039 14 HB3 ALA 2 HB3 ALA 2 0.036 2.168 -18.345 15 H ARG 3 H ARG 3 -2.924 5.494 -18.504 16 HA ARG 3 HA ARG 3 -1.190 7.775 -19.197 17 HB2 ARG 3 HB2 ARG 3 -3.524 8.941 -19.458 18 HB3 ARG 3 HB3 ARG 3 -2.876 7.955 -20.762 19 HG2 ARG 3 HG2 ARG 3 -4.257 6.083 -20.063 20 HG3 ARG 3 HG3 ARG 3 -4.876 7.032 -18.709 21 HD2 ARG 3 HD2 ARG 3 -5.632 8.718 -20.480 22 HD3 ARG 3 HD3 ARG 3 -5.340 7.430 -21.649 23 HE ARG 3 HE ARG 3 -6.962 6.439 -19.584 24 HH11 ARG 3 HH11 ARG 3 -7.087 8.673 -22.250 25 HH12 ARG 3 HH12 ARG 3 -8.790 8.480 -22.502 26 HH21 ARG 3 HH21 ARG 3 -9.206 6.175 -19.906 27 HH22 ARG 3 HH22 ARG 3 -9.995 7.060 -21.168 28 H GLY 4 H GLY 4 -3.090 6.249 -16.788 29 HA2 GLY 4 HA2 GLY 4 -3.685 8.507 -15.174 30 HA3 GLY 4 HA3 GLY 4 -3.665 6.833 -14.641 31 H TRP 5 H TRP 5 -0.767 6.842 -15.765 32 HA TRP 5 HA TRP 5 0.452 8.141 -13.417 33 HB2 TRP 5 HB2 TRP 5 1.819 5.799 -14.627 34 HB3 TRP 5 HB3 TRP 5 1.716 6.298 -12.941 35 HD1 TRP 5 HD1 TRP 5 -1.139 6.068 -12.108 36 HE1 TRP 5 HE1 TRP 5 -2.504 3.892 -12.272 37 HE3 TRP 5 HE3 TRP 5 1.624 3.643 -15.661 38 HZ2 TRP 5 HZ2 TRP 5 -2.420 1.468 -13.716 39 HZ3 TRP 5 HZ3 TRP 5 0.914 1.399 -16.377 40 HH2 TRP 5 HH2 TRP 5 -1.066 0.335 -15.423 41 H LYS 6 H LYS 6 0.259 8.086 -16.738 42 HA LYS 6 HA LYS 6 3.007 9.046 -17.118 43 HB2 LYS 6 HB2 LYS 6 2.445 7.343 -18.686 44 HB3 LYS 6 HB3 LYS 6 0.896 8.092 -19.050 45 HG2 LYS 6 HG2 LYS 6 3.270 9.749 -19.582 46 HG3 LYS 6 HG3 LYS 6 3.077 8.322 -20.602 47 HD2 LYS 6 HD2 LYS 6 1.303 9.189 -21.681 48 HD3 LYS 6 HD3 LYS 6 0.619 9.875 -20.205 49 HE2 LYS 6 HE2 LYS 6 1.763 11.848 -20.433 50 HE3 LYS 6 HE3 LYS 6 3.079 11.107 -21.342 51 HZ1 LYS 6 HZ1 LYS 6 1.662 12.570 -22.697 52 HZ2 LYS 6 HZ2 LYS 6 0.344 11.550 -22.408 53 HZ3 LYS 6 HZ3 LYS 6 1.683 10.977 -23.269 54 H ARG 7 H ARG 7 -0.237 10.108 -16.896 55 HA ARG 7 HA ARG 7 0.477 12.718 -18.052 56 HB2 ARG 7 HB2 ARG 7 -1.421 11.778 -19.178 57 HB3 ARG 7 HB3 ARG 7 -2.205 11.394 -17.652 58 HG2 ARG 7 HG2 ARG 7 -1.670 14.184 -17.700 59 HG3 ARG 7 HG3 ARG 7 -2.446 13.733 -19.220 60 HD2 ARG 7 HD2 ARG 7 -3.712 12.422 -16.986 61 HD3 ARG 7 HD3 ARG 7 -3.677 14.169 -16.752 62 HE ARG 7 HE ARG 7 -5.248 12.715 -18.651 63 HH11 ARG 7 HH11 ARG 7 -3.679 15.756 -18.011 64 HH12 ARG 7 HH12 ARG 7 -4.731 16.665 -19.045 65 HH21 ARG 7 HH21 ARG 7 -6.640 13.901 -20.014 66 HH22 ARG 7 HH22 ARG 7 -6.415 15.609 -20.183 67 H LYS 8 H LYS 8 -0.823 11.085 -15.234 68 HA LYS 8 HA LYS 8 -1.194 13.594 -13.807 69 HB2 LYS 8 HB2 LYS 8 -1.998 10.783 -13.421 70 HB3 LYS 8 HB3 LYS 8 -1.612 11.654 -11.943 71 HG2 LYS 8 HG2 LYS 8 -3.981 11.785 -12.420 72 HG3 LYS 8 HG3 LYS 8 -3.238 13.383 -12.536 73 HD2 LYS 8 HD2 LYS 8 -3.287 13.330 -14.907 74 HD3 LYS 8 HD3 LYS 8 -3.689 11.611 -14.929 75 HE2 LYS 8 HE2 LYS 8 -5.762 12.485 -15.303 76 HE3 LYS 8 HE3 LYS 8 -5.777 12.454 -13.541 77 HZ1 LYS 8 HZ1 LYS 8 -5.735 14.713 -15.348 78 HZ2 LYS 8 HZ2 LYS 8 -4.689 14.850 -14.026 79 HZ3 LYS 8 HZ3 LYS 8 -6.342 14.596 -13.773 80 H CYS 9 H CYS 9 1.135 14.102 -14.002 81 HA CYS 9 HA CYS 9 3.042 12.536 -12.557 82 HB2 CYS 9 HB2 CYS 9 3.055 14.923 -14.217 83 HB3 CYS 9 HB3 CYS 9 4.108 15.096 -12.818 84 HG CYS 9 HG CYS 9 5.849 14.269 -14.690 85 HA PRO 10 HA PRO 10 2.765 16.076 -9.296 86 HB2 PRO 10 HB2 PRO 10 0.826 17.947 -9.626 87 HB3 PRO 10 HB3 PRO 10 2.441 18.104 -10.326 88 HG2 PRO 10 HG2 PRO 10 -0.102 17.191 -11.615 89 HG3 PRO 10 HG3 PRO 10 1.147 18.279 -12.250 90 HD2 PRO 10 HD2 PRO 10 0.984 15.672 -12.965 91 HD3 PRO 10 HD3 PRO 10 2.530 16.539 -12.860 92 H LEU 11 H LEU 11 0.017 14.528 -10.667 93 HA LEU 11 HA LEU 11 -1.571 14.735 -8.239 94 HB2 LEU 11 HB2 LEU 11 -2.074 13.341 -10.862 95 HB3 LEU 11 HB3 LEU 11 -3.208 13.364 -9.514 96 HG LEU 11 HG LEU 11 -2.968 15.977 -9.806 97 HD11 LEU 11 HD11 LEU 11 -2.904 15.544 -12.668 98 HD12 LEU 11 HD12 LEU 11 -1.378 15.113 -11.899 99 HD13 LEU 11 HD13 LEU 11 -2.047 16.731 -11.684 100 HD21 LEU 11 HD21 LEU 11 -4.696 13.961 -11.102 101 HD22 LEU 11 HD22 LEU 11 -4.784 15.602 -11.741 102 HD23 LEU 11 HD23 LEU 11 -5.115 15.301 -10.033 103 H PHE 12 H PHE 12 -0.029 12.190 -10.186 104 HA PHE 12 HA PHE 12 -0.579 10.170 -8.207 105 HB2 PHE 12 HB2 PHE 12 -0.468 9.710 -10.672 106 HB3 PHE 12 HB3 PHE 12 1.267 9.995 -10.594 107 HD1 PHE 12 HD1 PHE 12 2.306 7.970 -10.957 108 HD2 PHE 12 HD2 PHE 12 -1.012 8.154 -8.296 109 HE1 PHE 12 HE1 PHE 12 2.665 5.613 -10.350 110 HE2 PHE 12 HE2 PHE 12 -0.658 5.797 -7.685 111 HZ PHE 12 HZ PHE 12 1.184 4.524 -8.712 112 H GLY 13 H GLY 13 1.741 12.574 -8.560 113 HA2 GLY 13 HA2 GLY 13 3.954 11.133 -7.389 114 HA3 GLY 13 HA3 GLY 13 3.894 12.854 -7.737 115 H LYS 14 H LYS 14 2.485 14.165 -6.268 116 HA LYS 14 HA LYS 14 3.003 13.338 -3.517 117 HB2 LYS 14 HB2 LYS 14 2.518 15.680 -2.944 118 HB3 LYS 14 HB3 LYS 14 3.768 15.557 -4.176 119 HG2 LYS 14 HG2 LYS 14 2.580 17.105 -5.255 120 HG3 LYS 14 HG3 LYS 14 1.513 15.769 -5.692 121 HD2 LYS 14 HD2 LYS 14 -0.131 16.882 -4.681 122 HD3 LYS 14 HD3 LYS 14 0.678 16.536 -3.151 123 HE2 LYS 14 HE2 LYS 14 1.695 18.621 -3.074 124 HE3 LYS 14 HE3 LYS 14 1.513 18.884 -4.808 125 HZ1 LYS 14 HZ1 LYS 14 -0.944 18.973 -4.374 126 HZ2 LYS 14 HZ2 LYS 14 -0.050 20.267 -3.748 127 HZ3 LYS 14 HZ3 LYS 14 -0.585 19.034 -2.721 128 H GLY 15 H GLY 15 0.371 13.894 -5.719 129 HA2 GLY 15 HA2 GLY 15 -1.682 14.090 -3.739 130 HA3 GLY 15 HA3 GLY 15 -1.917 13.795 -5.456 131 H GLY 16 H GLY 16 -1.074 12.244 -2.390 132 HA2 GLY 16 HA2 GLY 16 -1.256 9.583 -3.397 133 HA3 GLY 16 HA3 GLY 16 -1.245 10.053 -1.704 134 H1 LYS 1 H LYS 1 -7.161 11.135 -14.545 135 HA LYS 1 HA LYS 1 -8.446 9.283 -16.442 136 HB2 LYS 1 HB2 LYS 1 -5.951 10.863 -16.540 137 HB3 LYS 1 HB3 LYS 1 -5.826 9.218 -17.145 138 HG2 LYS 1 HG2 LYS 1 -6.315 10.669 -18.977 139 HG3 LYS 1 HG3 LYS 1 -7.741 9.681 -18.652 140 HD2 LYS 1 HD2 LYS 1 -7.810 12.120 -17.114 141 HD3 LYS 1 HD3 LYS 1 -7.616 12.467 -18.834 142 HE2 LYS 1 HE2 LYS 1 -9.688 10.547 -17.810 143 HE3 LYS 1 HE3 LYS 1 -9.997 12.278 -17.936 144 HZ1 LYS 1 HZ1 LYS 1 -10.717 11.623 -19.967 145 HZ2 LYS 1 HZ2 LYS 1 -9.681 10.289 -20.049 146 HZ3 LYS 1 HZ3 LYS 1 -9.085 11.841 -20.358 147 H TYR 2 H TYR 2 -6.337 9.576 -13.698 148 HA TYR 2 HA TYR 2 -5.477 6.813 -13.807 149 HB2 TYR 2 HB2 TYR 2 -4.106 7.304 -11.958 150 HB3 TYR 2 HB3 TYR 2 -4.100 8.784 -12.911 151 HD1 TYR 2 HD1 TYR 2 -5.706 10.652 -12.203 152 HD2 TYR 2 HD2 TYR 2 -4.736 7.346 -9.707 153 HE1 TYR 2 HE1 TYR 2 -6.454 11.925 -10.235 154 HE2 TYR 2 HE2 TYR 2 -5.482 8.609 -7.732 155 HH TYR 2 HH TYR 2 -7.224 10.650 -7.404 156 H GLU 3 H GLU 3 -8.332 8.127 -13.117 157 HA GLU 3 HA GLU 3 -8.952 6.861 -10.616 158 HB2 GLU 3 HB2 GLU 3 -11.305 7.503 -11.191 159 HB3 GLU 3 HB3 GLU 3 -10.168 8.844 -11.172 160 HG2 GLU 3 HG2 GLU 3 -10.514 9.312 -13.318 161 HG3 GLU 3 HG3 GLU 3 -10.421 7.618 -13.795 162 H ILE 4 H ILE 4 -8.405 5.634 -13.612 163 HA ILE 4 HA ILE 4 -10.288 3.402 -13.203 164 HB ILE 4 HB ILE 4 -10.763 4.565 -15.282 165 HG12 ILE 4 HG12 ILE 4 -10.540 1.906 -15.007 166 HG13 ILE 4 HG13 ILE 4 -11.059 2.664 -16.508 167 HG21 ILE 4 HG21 ILE 4 -7.836 4.158 -15.792 168 HG22 ILE 4 HG22 ILE 4 -8.977 4.424 -17.110 169 HG23 ILE 4 HG23 ILE 4 -8.774 5.650 -15.857 170 HD11 ILE 4 HD11 ILE 4 -9.016 2.303 -17.539 171 HD12 ILE 4 HD12 ILE 4 -8.172 2.081 -16.007 172 HD13 ILE 4 HD13 ILE 4 -9.267 0.832 -16.599 173 H THR 5 H THR 5 -7.008 4.363 -13.460 174 HA THR 5 HA THR 5 -6.098 1.600 -13.823 175 HB THR 5 HB THR 5 -3.833 3.193 -13.587 176 HG1 THR 5 HG1 THR 5 -5.758 4.532 -15.209 177 HG21 THR 5 HG21 THR 5 -5.158 2.600 -16.218 178 HG22 THR 5 HG22 THR 5 -4.473 1.318 -15.218 179 HG23 THR 5 HG23 THR 5 -3.439 2.610 -15.825 180 H THR 6 H THR 6 -6.662 3.895 -11.397 181 HA THR 6 HA THR 6 -4.718 2.713 -9.557 182 HB THR 6 HB THR 6 -5.303 5.284 -9.814 183 HG1 THR 6 HG1 THR 6 -4.581 5.504 -7.636 184 HG21 THR 6 HG21 THR 6 -7.724 4.847 -9.275 185 HG22 THR 6 HG22 THR 6 -6.946 6.076 -8.277 186 HG23 THR 6 HG23 THR 6 -7.213 4.455 -7.633 187 H ILE 7 H ILE 7 -8.168 2.964 -10.123 188 HA ILE 7 HA ILE 7 -9.104 2.000 -7.667 189 HB ILE 7 HB ILE 7 -11.113 1.227 -8.995 190 HG12 ILE 7 HG12 ILE 7 -10.178 2.747 -11.345 191 HG13 ILE 7 HG13 ILE 7 -9.396 1.188 -11.110 192 HG21 ILE 7 HG21 ILE 7 -10.135 4.063 -9.279 193 HG22 ILE 7 HG22 ILE 7 -11.793 3.548 -9.586 194 HG23 ILE 7 HG23 ILE 7 -11.107 3.392 -7.970 195 HD11 ILE 7 HD11 ILE 7 -11.207 0.061 -11.751 196 HD12 ILE 7 HD12 ILE 7 -12.296 1.098 -10.829 197 HD13 ILE 7 HD13 ILE 7 -11.743 1.600 -12.426 198 H HIS 8 H HIS 8 -7.703 0.360 -10.398 199 HA HIS 8 HA HIS 8 -8.451 -2.261 -9.355 200 HB2 HIS 8 HB2 HIS 8 -7.737 -1.200 -11.947 201 HB3 HIS 8 HB3 HIS 8 -6.735 -2.594 -11.552 202 HD1 HIS 8 HD1 HIS 8 -10.455 -1.776 -11.340 203 HD2 HIS 8 HD2 HIS 8 -7.895 -4.874 -12.392 204 HE1 HIS 8 HE1 HIS 8 -11.946 -3.651 -12.105 205 H ASN 9 H ASN 9 -6.023 -0.037 -8.903 206 HA ASN 9 HA ASN 9 -3.736 -1.715 -8.797 207 HB2 ASN 9 HB2 ASN 9 -2.690 0.240 -8.490 208 HB3 ASN 9 HB3 ASN 9 -4.265 1.028 -8.503 209 HD21 ASN 9 HD21 ASN 9 -5.107 1.806 -6.639 210 HD22 ASN 9 HD22 ASN 9 -4.278 1.782 -5.124 211 H LEU 10 H LEU 10 -6.456 -1.519 -6.837 212 HA LEU 10 HA LEU 10 -5.215 -2.119 -4.321 213 HB2 LEU 10 HB2 LEU 10 -7.356 -2.198 -3.430 214 HB3 LEU 10 HB3 LEU 10 -7.488 -1.019 -4.734 215 HG LEU 10 HG LEU 10 -8.265 -3.218 -6.056 216 HD11 LEU 10 HD11 LEU 10 -8.598 -3.808 -3.175 217 HD12 LEU 10 HD12 LEU 10 -8.341 -4.898 -4.537 218 HD13 LEU 10 HD13 LEU 10 -9.941 -4.215 -4.245 219 HD21 LEU 10 HD21 LEU 10 -10.348 -1.971 -4.353 220 HD22 LEU 10 HD22 LEU 10 -10.320 -2.243 -6.095 221 HD23 LEU 10 HD23 LEU 10 -9.402 -0.909 -5.395 222 H PHE 11 H PHE 11 -5.581 -3.889 -7.077 223 HA PHE 11 HA PHE 11 -6.349 -6.416 -5.986 224 HB2 PHE 11 HB2 PHE 11 -5.605 -5.348 -8.593 225 HB3 PHE 11 HB3 PHE 11 -4.940 -6.954 -8.315 226 HD1 PHE 11 HD1 PHE 11 -6.238 -8.197 -9.830 227 HD2 PHE 11 HD2 PHE 11 -8.136 -5.667 -6.982 228 HE1 PHE 11 HE1 PHE 11 -8.414 -9.196 -10.399 229 HE2 PHE 11 HE2 PHE 11 -10.315 -6.661 -7.545 230 HZ PHE 11 HZ PHE 11 -10.455 -8.429 -9.254 231 H ARG 12 H ARG 12 -4.845 -6.319 -4.134 232 HA ARG 12 HA ARG 12 -2.100 -6.315 -4.237 233 HB2 ARG 12 HB2 ARG 12 -4.007 -7.801 -2.443 234 HB3 ARG 12 HB3 ARG 12 -2.265 -7.895 -2.217 235 HG2 ARG 12 HG2 ARG 12 -2.259 -5.975 -1.120 236 HG3 ARG 12 HG3 ARG 12 -3.051 -5.156 -2.467 237 HD2 ARG 12 HD2 ARG 12 -5.221 -6.145 -1.596 238 HD3 ARG 12 HD3 ARG 12 -4.322 -6.576 -0.142 239 HE ARG 12 HE ARG 12 -3.907 -3.859 -0.663 240 HH11 ARG 12 HH11 ARG 12 -6.471 -6.016 0.282 241 HH12 ARG 12 HH12 ARG 12 -7.335 -4.808 1.173 242 HH21 ARG 12 HH21 ARG 12 -5.035 -2.260 0.506 243 HH22 ARG 12 HH22 ARG 12 -6.518 -2.671 1.299 244 H LYS 13 H LYS 13 -4.308 -8.940 -4.994 245 HA LYS 13 HA LYS 13 -2.411 -11.019 -5.130 246 HB2 LYS 13 HB2 LYS 13 -5.163 -10.783 -5.462 247 HB3 LYS 13 HB3 LYS 13 -4.588 -11.295 -7.043 248 HG2 LYS 13 HG2 LYS 13 -3.310 -13.117 -5.785 249 HG3 LYS 13 HG3 LYS 13 -4.339 -12.707 -4.412 250 HD2 LYS 13 HD2 LYS 13 -5.938 -14.001 -5.253 251 HD3 LYS 13 HD3 LYS 13 -6.021 -12.950 -6.669 252 HE2 LYS 13 HE2 LYS 13 -4.856 -14.387 -7.962 253 HE3 LYS 13 HE3 LYS 13 -3.788 -14.868 -6.645 254 HZ1 LYS 13 HZ1 LYS 13 -6.035 -15.978 -5.823 255 HZ2 LYS 13 HZ2 LYS 13 -4.955 -16.774 -6.852 256 HZ3 LYS 13 HZ3 LYS 13 -6.327 -16.018 -7.490 257 H LEU 14 H LEU 14 -3.567 -8.700 -7.528 258 HA LEU 14 HA LEU 14 -1.901 -9.856 -9.604 259 HB2 LEU 14 HB2 LEU 14 -4.221 -8.841 -9.935 260 HB3 LEU 14 HB3 LEU 14 -3.429 -7.276 -9.770 261 HG LEU 14 HG LEU 14 -1.982 -8.707 -11.720 262 HD11 LEU 14 HD11 LEU 14 -4.921 -9.157 -11.846 263 HD12 LEU 14 HD12 LEU 14 -3.593 -10.217 -12.315 264 HD13 LEU 14 HD13 LEU 14 -4.040 -8.858 -13.345 265 HD21 LEU 14 HD21 LEU 14 -2.895 -6.927 -13.203 266 HD22 LEU 14 HD22 LEU 14 -2.197 -6.320 -11.701 267 HD23 LEU 14 HD23 LEU 14 -3.949 -6.427 -11.879 268 H THR 15 H THR 15 0.152 -9.326 -9.881 269 HA THR 15 HA THR 15 1.631 -7.594 -8.361 270 HB THR 15 HB THR 15 2.725 -9.208 -9.783 271 HG1 THR 15 HG1 THR 15 4.368 -7.888 -9.852 272 HG21 THR 15 HG21 THR 15 1.725 -7.544 -12.097 273 HG22 THR 15 HG22 THR 15 1.208 -9.178 -11.684 274 HG23 THR 15 HG23 THR 15 2.860 -8.886 -12.225 275 H HIS 16 H HIS 16 1.889 -5.457 -8.227 276 HA HIS 16 HA HIS 16 0.832 -3.789 -10.414 277 HB2 HIS 16 HB2 HIS 16 0.577 -2.080 -8.424 278 HB3 HIS 16 HB3 HIS 16 -0.661 -3.295 -8.726 279 HD1 HIS 16 HD1 HIS 16 2.214 -2.556 -6.399 280 HD2 HIS 16 HD2 HIS 16 -1.063 -5.093 -6.682 281 HE1 HIS 16 HE1 HIS 16 2.054 -3.698 -4.165 282 H ARG 17 H ARG 17 3.583 -4.835 -9.806 283 HA ARG 17 HA ARG 17 5.267 -2.862 -8.811 284 HB2 ARG 17 HB2 ARG 17 7.056 -3.975 -9.997 285 HB3 ARG 17 HB3 ARG 17 5.958 -5.183 -9.345 286 HG2 ARG 17 HG2 ARG 17 4.882 -5.287 -11.606 287 HG3 ARG 17 HG3 ARG 17 6.198 -4.271 -12.197 288 HD2 ARG 17 HD2 ARG 17 7.820 -5.953 -11.478 289 HD3 ARG 17 HD3 ARG 17 6.508 -6.964 -10.875 290 HE ARG 17 HE ARG 17 5.894 -6.540 -13.501 291 HH11 ARG 17 HH11 ARG 17 8.648 -7.806 -11.787 292 HH12 ARG 17 HH12 ARG 17 9.119 -8.873 -13.068 293 HH21 ARG 17 HH21 ARG 17 6.504 -7.941 -15.194 294 HH22 ARG 17 HH22 ARG 17 7.899 -8.949 -15.006 295 H LEU 18 H LEU 18 3.545 -3.000 -11.794 296 HA LEU 18 HA LEU 18 5.159 -0.887 -12.996 297 HB2 LEU 18 HB2 LEU 18 3.674 -1.203 -14.951 298 HB3 LEU 18 HB3 LEU 18 4.540 -2.662 -14.473 299 HG LEU 18 HG LEU 18 1.997 -2.658 -13.186 300 HD11 LEU 18 HD11 LEU 18 0.753 -2.919 -15.477 301 HD12 LEU 18 HD12 LEU 18 1.995 -1.800 -16.039 302 HD13 LEU 18 HD13 LEU 18 0.922 -1.335 -14.719 303 HD21 LEU 18 HD21 LEU 18 3.398 -4.317 -15.252 304 HD22 LEU 18 HD22 LEU 18 1.747 -4.684 -14.751 305 HD23 LEU 18 HD23 LEU 18 3.053 -4.699 -13.565 306 H PHE 19 H PHE 19 3.424 -0.499 -10.600 307 HA PHE 19 HA PHE 19 1.704 1.629 -11.697 308 HB2 PHE 19 HB2 PHE 19 0.307 -0.097 -10.739 309 HB3 PHE 19 HB3 PHE 19 1.258 -0.101 -9.258 310 HD1 PHE 19 HD1 PHE 19 0.124 0.788 -7.483 311 HD2 PHE 19 HD2 PHE 19 -0.394 2.531 -11.331 312 HE1 PHE 19 HE1 PHE 19 -1.380 2.475 -6.513 313 HE2 PHE 19 HE2 PHE 19 -1.899 4.221 -10.367 314 HZ PHE 19 HZ PHE 19 -2.393 4.196 -7.954 315 H ARG 20 H ARG 20 3.491 0.636 -8.780 316 HA ARG 20 HA ARG 20 4.105 3.481 -8.311 317 HB2 ARG 20 HB2 ARG 20 4.143 3.044 -5.936 318 HB3 ARG 20 HB3 ARG 20 2.608 2.491 -6.594 319 HG2 ARG 20 HG2 ARG 20 3.492 0.185 -6.624 320 HG3 ARG 20 HG3 ARG 20 4.970 0.776 -5.861 321 HD2 ARG 20 HD2 ARG 20 3.082 1.799 -4.204 322 HD3 ARG 20 HD3 ARG 20 2.305 0.302 -4.716 323 HE ARG 20 HE ARG 20 4.995 -0.157 -3.935 324 HH11 ARG 20 HH11 ARG 20 1.809 0.445 -2.668 325 HH12 ARG 20 HH12 ARG 20 2.109 -0.370 -1.169 326 HH21 ARG 20 HH21 ARG 20 5.403 -1.232 -1.966 327 HH22 ARG 20 HH22 ARG 20 4.155 -1.323 -0.770 328 H ARG 21 H ARG 21 5.298 0.222 -8.521 329 HA ARG 21 HA ARG 21 7.916 0.799 -7.508 330 HB2 ARG 21 HB2 ARG 21 6.486 -1.504 -8.007 331 HB3 ARG 21 HB3 ARG 21 7.690 -1.513 -9.288 332 HG2 ARG 21 HG2 ARG 21 9.404 -1.879 -7.866 333 HG3 ARG 21 HG3 ARG 21 8.680 -0.919 -6.575 334 HD2 ARG 21 HD2 ARG 21 7.191 -2.699 -5.997 335 HD3 ARG 21 HD3 ARG 21 7.676 -3.632 -7.412 336 HE ARG 21 HE ARG 21 9.992 -3.285 -6.032 337 HH11 ARG 21 HH11 ARG 21 6.846 -4.542 -5.229 338 HH12 ARG 21 HH12 ARG 21 7.448 -5.649 -4.041 339 HH21 ARG 21 HH21 ARG 21 10.797 -4.739 -4.470 340 HH22 ARG 21 HH22 ARG 21 9.696 -5.761 -3.610 341 H ASN 22 H ASN 22 6.328 1.199 -10.517 342 HA ASN 22 HA ASN 22 8.913 1.756 -11.817 343 HB2 ASN 22 HB2 ASN 22 6.356 0.706 -13.044 344 HB3 ASN 22 HB3 ASN 22 7.747 1.248 -13.978 345 HD21 ASN 22 HD21 ASN 22 9.849 0.246 -12.640 346 HD22 ASN 22 HD22 ASN 22 9.790 -1.480 -12.616 347 H PHE 23 H PHE 23 5.475 2.644 -11.723 348 HA PHE 23 HA PHE 23 6.111 5.233 -12.923 349 HB2 PHE 23 HB2 PHE 23 3.580 3.691 -12.484 350 HB3 PHE 23 HB3 PHE 23 3.504 5.434 -12.721 351 HD1 PHE 23 HD1 PHE 23 3.921 2.222 -14.288 352 HD2 PHE 23 HD2 PHE 23 4.395 6.416 -14.837 353 HE1 PHE 23 HE1 PHE 23 4.030 1.887 -16.723 354 HE2 PHE 23 HE2 PHE 23 4.504 6.088 -17.274 355 HZ PHE 23 HZ PHE 23 4.320 3.821 -18.220 356 H GLY 24 H GLY 24 6.426 4.113 -9.983 357 HA2 GLY 24 HA2 GLY 24 5.279 6.514 -8.697 358 HA3 GLY 24 HA3 GLY 24 5.400 4.958 -7.891 359 H TYR 25 H TYR 25 8.108 4.626 -9.253 360 HA TYR 25 HA TYR 25 9.700 5.410 -7.091 361 HB2 TYR 25 HB2 TYR 25 10.071 3.770 -9.208 362 HB3 TYR 25 HB3 TYR 25 11.043 5.146 -9.717 363 HD1 TYR 25 HD1 TYR 25 10.749 2.377 -7.369 364 HD2 TYR 25 HD2 TYR 25 13.004 5.835 -8.402 365 HE1 TYR 25 HE1 TYR 25 12.591 1.597 -5.937 366 HE2 TYR 25 HE2 TYR 25 14.853 5.062 -6.974 367 HH TYR 25 HH TYR 25 15.155 3.569 -5.004 368 H THR 26 H THR 26 8.660 7.146 -9.887 369 HA THR 26 HA THR 26 10.602 9.058 -10.246 370 HB THR 26 HB THR 26 8.221 10.503 -10.436 371 HG1 THR 26 HG1 THR 26 6.780 8.925 -10.320 372 HG21 THR 26 HG21 THR 26 10.285 9.888 -12.048 373 HG22 THR 26 HG22 THR 26 8.789 10.621 -12.629 374 HG23 THR 26 HG23 THR 26 9.031 8.881 -12.770 375 H LEU 27 H LEU 27 7.638 10.015 -8.567 376 HA LEU 27 HA LEU 27 9.293 11.583 -6.710 377 HB2 LEU 27 HB2 LEU 27 6.690 12.021 -8.023 378 HB3 LEU 27 HB3 LEU 27 6.801 12.556 -6.347 379 HG LEU 27 HG LEU 27 8.708 13.430 -8.512 380 HD11 LEU 27 HD11 LEU 27 7.043 14.673 -9.307 381 HD12 LEU 27 HD12 LEU 27 7.142 15.593 -7.806 382 HD13 LEU 27 HD13 LEU 27 5.988 14.267 -7.951 383 HD21 LEU 27 HD21 LEU 27 8.125 14.673 -5.832 384 HD22 LEU 27 HD22 LEU 27 9.424 15.076 -6.956 385 HD23 LEU 27 HD23 LEU 27 9.438 13.529 -6.108 386 H ARG 28 H ARG 28 6.784 9.167 -6.926 387 HA ARG 28 HA ARG 28 6.169 9.194 -4.117 388 HB2 ARG 28 HB2 ARG 28 4.829 8.304 -6.296 389 HB3 ARG 28 HB3 ARG 28 5.511 6.793 -5.709 390 HG2 ARG 28 HG2 ARG 28 3.905 8.681 -4.004 391 HG3 ARG 28 HG3 ARG 28 3.224 7.301 -4.868 392 HD2 ARG 28 HD2 ARG 28 5.230 6.069 -3.597 393 HD3 ARG 28 HD3 ARG 28 4.937 7.383 -2.458 394 HE ARG 28 HE ARG 28 2.492 6.170 -3.157 395 HH11 ARG 28 HH11 ARG 28 5.392 5.561 -1.329 396 HH12 ARG 28 HH12 ARG 28 4.617 4.493 -0.207 397 HH21 ARG 28 HH21 ARG 28 1.460 4.764 -1.688 398 HH22 ARG 28 HH22 ARG 28 2.381 4.039 -0.412 Start of MODEL 10 1 H1 VAL 1 H VAL 1 -9.232 0.765 -17.854 2 HA VAL 1 HA VAL 1 -8.670 2.638 -19.967 3 HB VAL 1 HB VAL 1 -10.048 3.661 -17.481 4 HG11 VAL 1 HG11 VAL 1 -9.112 5.138 -19.938 5 HG12 VAL 1 HG12 VAL 1 -9.917 5.840 -18.535 6 HG13 VAL 1 HG13 VAL 1 -8.302 5.150 -18.372 7 HG21 VAL 1 HG21 VAL 1 -11.814 4.385 -19.098 8 HG22 VAL 1 HG22 VAL 1 -11.015 3.400 -20.324 9 HG23 VAL 1 HG23 VAL 1 -11.690 2.639 -18.884 10 H ALA 2 H ALA 2 -6.515 2.259 -19.730 11 HA ALA 2 HA ALA 2 -5.330 2.919 -17.113 12 HB1 ALA 2 1HB ALA 2 -4.165 1.100 -19.215 13 HB2 ALA 2 HB2 ALA 2 -3.511 1.419 -17.608 14 HB3 ALA 2 HB3 ALA 2 -5.039 0.556 -17.782 15 H ARG 3 H ARG 3 -5.687 5.136 -18.263 16 HA ARG 3 HA ARG 3 -3.233 5.770 -19.769 17 HB2 ARG 3 HB2 ARG 3 -5.468 7.662 -20.026 18 HB3 ARG 3 HB3 ARG 3 -4.383 7.023 -21.255 19 HG2 ARG 3 HG2 ARG 3 -6.716 5.523 -20.081 20 HG3 ARG 3 HG3 ARG 3 -6.744 6.405 -21.610 21 HD2 ARG 3 HD2 ARG 3 -4.484 4.640 -21.538 22 HD3 ARG 3 HD3 ARG 3 -5.957 3.744 -21.165 23 HE ARG 3 HE ARG 3 -6.484 5.335 -23.386 24 HH11 ARG 3 HH11 ARG 3 -4.436 2.658 -22.519 25 HH12 ARG 3 HH12 ARG 3 -4.393 2.002 -24.122 26 HH21 ARG 3 HH21 ARG 3 -6.436 4.482 -25.500 27 HH22 ARG 3 HH22 ARG 3 -5.531 3.041 -25.818 28 H GLY 4 H GLY 4 -5.009 6.268 -16.943 29 HA2 GLY 4 HA2 GLY 4 -4.148 8.960 -16.401 30 HA3 GLY 4 HA3 GLY 4 -4.931 7.866 -15.271 31 H TRP 5 H TRP 5 -2.643 5.930 -16.222 32 HA TRP 5 HA TRP 5 -0.595 7.035 -14.413 33 HB2 TRP 5 HB2 TRP 5 -0.693 4.107 -14.610 34 HB3 TRP 5 HB3 TRP 5 -0.527 5.137 -13.192 35 HD1 TRP 5 HD1 TRP 5 -3.033 6.411 -12.523 36 HE1 TRP 5 HE1 TRP 5 -5.319 5.244 -12.338 37 HE3 TRP 5 HE3 TRP 5 -2.051 2.252 -15.330 38 HZ2 TRP 5 HZ2 TRP 5 -6.545 2.874 -13.260 39 HZ3 TRP 5 HZ3 TRP 5 -3.834 0.583 -15.629 40 HH2 TRP 5 HH2 TRP 5 -6.034 0.890 -14.614 41 H LYS 6 H LYS 6 -1.272 6.126 -17.516 42 HA LYS 6 HA LYS 6 1.492 5.289 -18.075 43 HB2 LYS 6 HB2 LYS 6 -1.120 4.812 -19.449 44 HB3 LYS 6 HB3 LYS 6 0.355 4.807 -20.406 45 HG2 LYS 6 HG2 LYS 6 -0.061 2.566 -19.826 46 HG3 LYS 6 HG3 LYS 6 1.260 3.101 -18.784 47 HD2 LYS 6 HD2 LYS 6 -0.104 3.200 -16.900 48 HD3 LYS 6 HD3 LYS 6 -1.586 3.274 -17.858 49 HE2 LYS 6 HE2 LYS 6 0.232 0.880 -17.589 50 HE3 LYS 6 HE3 LYS 6 -1.318 1.095 -16.778 51 HZ1 LYS 6 HZ1 LYS 6 -2.116 0.003 -18.541 52 HZ2 LYS 6 HZ2 LYS 6 -0.757 0.314 -19.499 53 HZ3 LYS 6 HZ3 LYS 6 -1.975 1.480 -19.353 54 H ARG 7 H ARG 7 -0.891 7.748 -18.663 55 HA ARG 7 HA ARG 7 1.064 9.199 -20.324 56 HB2 ARG 7 HB2 ARG 7 -1.954 9.338 -20.450 57 HB3 ARG 7 HB3 ARG 7 -0.853 10.333 -21.394 58 HG2 ARG 7 HG2 ARG 7 -1.391 8.699 -22.904 59 HG3 ARG 7 HG3 ARG 7 0.083 8.035 -22.195 60 HD2 ARG 7 HD2 ARG 7 -1.018 6.355 -21.147 61 HD3 ARG 7 HD3 ARG 7 -2.450 7.337 -20.847 62 HE ARG 7 HE ARG 7 -3.338 6.609 -22.838 63 HH11 ARG 7 HH11 ARG 7 0.031 5.744 -22.671 64 HH12 ARG 7 HH12 ARG 7 -0.028 4.726 -24.072 65 HH21 ARG 7 HH21 ARG 7 -3.426 5.273 -24.685 66 HH22 ARG 7 HH22 ARG 7 -1.993 4.460 -25.217 67 H LYS 8 H LYS 8 -1.626 9.591 -18.034 68 HA LYS 8 HA LYS 8 -0.778 12.297 -17.407 69 HB2 LYS 8 HB2 LYS 8 -3.152 10.616 -16.849 70 HB3 LYS 8 HB3 LYS 8 -2.740 11.803 -15.619 71 HG2 LYS 8 HG2 LYS 8 -4.316 12.798 -17.091 72 HG3 LYS 8 HG3 LYS 8 -2.748 13.545 -17.406 73 HD2 LYS 8 HD2 LYS 8 -2.455 11.963 -19.311 74 HD3 LYS 8 HD3 LYS 8 -4.105 11.400 -19.037 75 HE2 LYS 8 HE2 LYS 8 -5.028 13.466 -19.646 76 HE3 LYS 8 HE3 LYS 8 -3.488 14.305 -19.472 77 HZ1 LYS 8 HZ1 LYS 8 -2.662 13.107 -21.404 78 HZ2 LYS 8 HZ2 LYS 8 -4.053 13.984 -21.793 79 HZ3 LYS 8 HZ3 LYS 8 -4.145 12.309 -21.573 80 H CYS 9 H CYS 9 1.354 11.316 -16.679 81 HA CYS 9 HA CYS 9 1.379 9.950 -14.153 82 HB2 CYS 9 HB2 CYS 9 3.311 10.695 -16.193 83 HB3 CYS 9 HB3 CYS 9 3.931 10.991 -14.573 84 HG CYS 9 HG CYS 9 4.197 8.284 -16.110 85 HA PRO 10 HA PRO 10 3.040 14.163 -12.505 86 HB2 PRO 10 HB2 PRO 10 3.030 16.280 -14.206 87 HB3 PRO 10 HB3 PRO 10 4.395 15.167 -14.066 88 HG2 PRO 10 HG2 PRO 10 2.211 15.236 -16.110 89 HG3 PRO 10 HG3 PRO 10 3.950 14.977 -16.340 90 HD2 PRO 10 HD2 PRO 10 2.164 12.941 -16.318 91 HD3 PRO 10 HD3 PRO 10 3.828 12.759 -15.726 92 H LEU 11 H LEU 11 0.346 14.071 -14.713 93 HA LEU 11 HA LEU 11 -1.071 16.270 -13.543 94 HB2 LEU 11 HB2 LEU 11 -1.652 14.180 -15.575 95 HB3 LEU 11 HB3 LEU 11 -3.015 15.002 -14.818 96 HG LEU 11 HG LEU 11 -1.155 16.976 -15.679 97 HD11 LEU 11 HD11 LEU 11 -2.047 15.497 -18.078 98 HD12 LEU 11 HD12 LEU 11 -0.655 14.849 -17.209 99 HD13 LEU 11 HD13 LEU 11 -0.619 16.501 -17.825 100 HD21 LEU 11 HD21 LEU 11 -3.821 16.725 -15.470 101 HD22 LEU 11 HD22 LEU 11 -3.633 16.493 -17.208 102 HD23 LEU 11 HD23 LEU 11 -3.035 17.967 -16.445 103 H PHE 12 H PHE 12 -1.860 12.791 -13.653 104 HA PHE 12 HA PHE 12 -3.794 12.898 -11.624 105 HB2 PHE 12 HB2 PHE 12 -2.848 10.966 -13.366 106 HB3 PHE 12 HB3 PHE 12 -2.395 10.340 -11.784 107 HD1 PHE 12 HD1 PHE 12 -4.631 11.304 -10.127 108 HD2 PHE 12 HD2 PHE 12 -4.611 9.616 -14.035 109 HE1 PHE 12 HE1 PHE 12 -6.930 10.497 -9.787 110 HE2 PHE 12 HE2 PHE 12 -6.911 8.809 -13.701 111 HZ PHE 12 HZ PHE 12 -8.074 9.249 -11.576 112 H GLY 13 H GLY 13 -0.383 12.984 -11.468 113 HA2 GLY 13 HA2 GLY 13 -0.371 12.147 -8.652 114 HA3 GLY 13 HA3 GLY 13 1.048 12.323 -9.675 115 H LYS 14 H LYS 14 1.901 14.398 -10.061 116 HA LYS 14 HA LYS 14 1.999 16.119 -7.912 117 HB2 LYS 14 HB2 LYS 14 2.389 16.954 -10.789 118 HB3 LYS 14 HB3 LYS 14 3.099 17.699 -9.362 119 HG2 LYS 14 HG2 LYS 14 3.751 14.892 -9.508 120 HG3 LYS 14 HG3 LYS 14 4.235 15.747 -10.975 121 HD2 LYS 14 HD2 LYS 14 4.855 16.929 -8.301 122 HD3 LYS 14 HD3 LYS 14 5.857 15.618 -8.928 123 HE2 LYS 14 HE2 LYS 14 5.673 17.269 -11.092 124 HE3 LYS 14 HE3 LYS 14 5.675 18.424 -9.759 125 HZ1 LYS 14 HZ1 LYS 14 7.897 18.180 -10.086 126 HZ2 LYS 14 HZ2 LYS 14 7.776 16.581 -10.624 127 HZ3 LYS 14 HZ3 LYS 14 7.663 16.928 -8.972 128 H GLY 15 H GLY 15 -0.005 16.408 -10.834 129 HA2 GLY 15 HA2 GLY 15 -1.297 18.799 -9.860 130 HA3 GLY 15 HA3 GLY 15 -1.691 17.923 -11.332 131 H GLY 16 H GLY 16 -1.756 17.241 -7.825 132 HA2 GLY 16 HA2 GLY 16 -4.407 16.018 -8.233 133 HA3 GLY 16 HA3 GLY 16 -3.308 15.627 -6.918 134 H1 LYS 1 H LYS 1 -3.678 10.016 -4.802 135 HA LYS 1 HA LYS 1 -3.868 11.899 -7.061 136 HB2 LYS 1 HB2 LYS 1 -1.507 10.411 -5.959 137 HB3 LYS 1 HB3 LYS 1 -1.546 10.878 -7.655 138 HG2 LYS 1 HG2 LYS 1 -0.417 12.632 -6.675 139 HG3 LYS 1 HG3 LYS 1 -2.071 13.241 -6.743 140 HD2 LYS 1 HD2 LYS 1 -1.721 11.793 -4.309 141 HD3 LYS 1 HD3 LYS 1 -0.399 12.950 -4.478 142 HE2 LYS 1 HE2 LYS 1 -3.059 13.997 -5.156 143 HE3 LYS 1 HE3 LYS 1 -2.853 13.537 -3.467 144 HZ1 LYS 1 HZ1 LYS 1 -1.110 15.408 -4.980 145 HZ2 LYS 1 HZ2 LYS 1 -0.896 14.959 -3.364 146 HZ3 LYS 1 HZ3 LYS 1 -2.262 15.846 -3.821 147 H TYR 2 H TYR 2 -2.200 8.821 -7.078 148 HA TYR 2 HA TYR 2 -4.292 7.746 -8.854 149 HB2 TYR 2 HB2 TYR 2 -2.137 6.412 -9.728 150 HB3 TYR 2 HB3 TYR 2 -2.635 7.959 -10.405 151 HD1 TYR 2 HD1 TYR 2 -0.629 6.787 -7.467 152 HD2 TYR 2 HD2 TYR 2 -0.920 9.441 -10.779 153 HE1 TYR 2 HE1 TYR 2 1.566 7.736 -6.891 154 HE2 TYR 2 HE2 TYR 2 1.274 10.397 -10.213 155 HH TYR 2 HH TYR 2 2.844 10.548 -8.553 156 H GLU 3 H GLU 3 -2.930 7.429 -5.910 157 HA GLU 3 HA GLU 3 -2.625 4.569 -5.802 158 HB2 GLU 3 HB2 GLU 3 -2.308 4.909 -3.392 159 HB3 GLU 3 HB3 GLU 3 -1.295 5.994 -4.337 160 HG2 GLU 3 HG2 GLU 3 -3.125 7.730 -4.005 161 HG3 GLU 3 HG3 GLU 3 -3.776 6.640 -2.782 162 H ILE 4 H ILE 4 -5.272 6.439 -6.115 163 HA ILE 4 HA ILE 4 -6.950 4.586 -4.553 164 HB ILE 4 HB ILE 4 -7.663 7.432 -5.263 165 HG12 ILE 4 HG12 ILE 4 -7.449 7.481 -2.586 166 HG13 ILE 4 HG13 ILE 4 -6.228 6.263 -2.939 167 HG21 ILE 4 HG21 ILE 4 -9.650 6.223 -4.989 168 HG22 ILE 4 HG22 ILE 4 -8.996 5.283 -3.648 169 HG23 ILE 4 HG23 ILE 4 -9.382 6.989 -3.423 170 HD11 ILE 4 HD11 ILE 4 -6.312 9.040 -4.092 171 HD12 ILE 4 HD12 ILE 4 -5.269 8.495 -2.778 172 HD13 ILE 4 HD13 ILE 4 -5.073 7.823 -4.396 173 H THR 5 H THR 5 -6.071 5.589 -7.609 174 HA THR 5 HA THR 5 -8.637 4.718 -8.768 175 HB THR 5 HB THR 5 -6.832 5.948 -10.677 176 HG1 THR 5 HG1 THR 5 -7.591 7.445 -8.374 177 HG21 THR 5 HG21 THR 5 -9.642 6.433 -9.715 178 HG22 THR 5 HG22 THR 5 -9.114 5.724 -11.240 179 HG23 THR 5 HG23 THR 5 -8.877 7.445 -10.940 180 H THR 6 H THR 6 -5.709 3.537 -8.023 181 HA THR 6 HA THR 6 -5.644 1.775 -10.386 182 HB THR 6 HB THR 6 -3.442 3.166 -8.972 183 HG1 THR 6 HG1 THR 6 -2.772 3.430 -11.024 184 HG21 THR 6 HG21 THR 6 -2.835 0.958 -8.323 185 HG22 THR 6 HG22 THR 6 -1.841 1.362 -9.723 186 HG23 THR 6 HG23 THR 6 -3.243 0.308 -9.910 187 H ILE 7 H ILE 7 -5.547 2.059 -6.923 188 HA ILE 7 HA ILE 7 -4.680 -0.484 -6.195 189 HB ILE 7 HB ILE 7 -6.174 -0.149 -4.155 190 HG12 ILE 7 HG12 ILE 7 -6.460 2.700 -4.725 191 HG13 ILE 7 HG13 ILE 7 -7.419 1.695 -5.806 192 HG21 ILE 7 HG21 ILE 7 -4.763 1.794 -3.351 193 HG22 ILE 7 HG22 ILE 7 -3.887 0.397 -3.976 194 HG23 ILE 7 HG23 ILE 7 -4.074 1.838 -4.974 195 HD11 ILE 7 HD11 ILE 7 -7.570 1.020 -2.945 196 HD12 ILE 7 HD12 ILE 7 -8.280 2.562 -3.427 197 HD13 ILE 7 HD13 ILE 7 -8.832 1.064 -4.175 198 H HIS 8 H HIS 8 -7.628 0.511 -7.669 199 HA HIS 8 HA HIS 8 -8.716 -2.204 -7.312 200 HB2 HIS 8 HB2 HIS 8 -9.920 0.348 -6.775 201 HB3 HIS 8 HB3 HIS 8 -10.814 -0.461 -8.058 202 HD1 HIS 8 HD1 HIS 8 -11.603 0.030 -4.921 203 HD2 HIS 8 HD2 HIS 8 -10.553 -3.532 -6.786 204 HE1 HIS 8 HE1 HIS 8 -12.601 -1.791 -3.503 205 H ASN 9 H ASN 9 -7.216 -0.297 -9.459 206 HA ASN 9 HA ASN 9 -8.860 -1.006 -11.768 207 HB2 ASN 9 HB2 ASN 9 -7.349 1.232 -11.186 208 HB3 ASN 9 HB3 ASN 9 -6.323 0.348 -12.313 209 HD21 ASN 9 HD21 ASN 9 -8.758 2.559 -12.050 210 HD22 ASN 9 HD22 ASN 9 -9.394 2.469 -13.655 211 H LEU 10 H LEU 10 -5.416 -1.230 -10.856 212 HA LEU 10 HA LEU 10 -5.273 -3.725 -12.418 213 HB2 LEU 10 HB2 LEU 10 -3.224 -3.167 -13.269 214 HB3 LEU 10 HB3 LEU 10 -3.999 -1.586 -13.197 215 HG LEU 10 HG LEU 10 -2.731 -1.747 -10.765 216 HD11 LEU 10 HD11 LEU 10 -0.674 -2.734 -10.930 217 HD12 LEU 10 HD12 LEU 10 -0.640 -2.630 -12.690 218 HD13 LEU 10 HD13 LEU 10 -1.639 -3.849 -11.898 219 HD21 LEU 10 HD21 LEU 10 -2.869 0.111 -12.489 220 HD22 LEU 10 HD22 LEU 10 -1.454 -0.622 -13.244 221 HD23 LEU 10 HD23 LEU 10 -1.358 -0.020 -11.589 222 H PHE 11 H PHE 11 -5.302 -2.524 -9.378 223 HA PHE 11 HA PHE 11 -3.298 -4.383 -8.323 224 HB2 PHE 11 HB2 PHE 11 -4.124 -1.797 -7.555 225 HB3 PHE 11 HB3 PHE 11 -4.664 -2.885 -6.280 226 HD1 PHE 11 HD1 PHE 11 -1.631 -3.067 -8.421 227 HD2 PHE 11 HD2 PHE 11 -3.219 -2.505 -4.511 228 HE1 PHE 11 HE1 PHE 11 0.648 -3.103 -7.494 229 HE2 PHE 11 HE2 PHE 11 -0.943 -2.539 -3.579 230 HZ PHE 11 HZ PHE 11 0.995 -2.838 -5.070 231 H ARG 12 H ARG 12 -4.684 -6.206 -8.959 232 HA ARG 12 HA ARG 12 -6.802 -6.686 -6.966 233 HB2 ARG 12 HB2 ARG 12 -6.659 -7.440 -9.875 234 HB3 ARG 12 HB3 ARG 12 -7.693 -8.317 -8.754 235 HG2 ARG 12 HG2 ARG 12 -9.094 -6.510 -8.424 236 HG3 ARG 12 HG3 ARG 12 -7.876 -5.342 -8.942 237 HD2 ARG 12 HD2 ARG 12 -8.094 -6.091 -11.236 238 HD3 ARG 12 HD3 ARG 12 -9.236 -7.341 -10.745 239 HE ARG 12 HE ARG 12 -10.346 -4.990 -9.884 240 HH11 ARG 12 HH11 ARG 12 -9.272 -6.263 -12.941 241 HH12 ARG 12 HH12 ARG 12 -10.422 -5.360 -13.870 242 HH21 ARG 12 HH21 ARG 12 -11.866 -3.796 -11.095 243 HH22 ARG 12 HH22 ARG 12 -11.897 -3.956 -12.819 244 H LYS 13 H LYS 13 -5.155 -8.788 -9.309 245 HA LYS 13 HA LYS 13 -4.223 -10.435 -7.048 246 HB2 LYS 13 HB2 LYS 13 -6.033 -11.167 -9.049 247 HB3 LYS 13 HB3 LYS 13 -4.515 -11.917 -9.523 248 HG2 LYS 13 HG2 LYS 13 -5.202 -13.577 -8.184 249 HG3 LYS 13 HG3 LYS 13 -4.574 -12.544 -6.896 250 HD2 LYS 13 HD2 LYS 13 -7.429 -12.504 -7.871 251 HD3 LYS 13 HD3 LYS 13 -6.868 -13.418 -6.469 252 HE2 LYS 13 HE2 LYS 13 -5.972 -11.194 -5.597 253 HE3 LYS 13 HE3 LYS 13 -6.953 -10.439 -6.853 254 HZ1 LYS 13 HZ1 LYS 13 -8.918 -11.305 -5.894 255 HZ2 LYS 13 HZ2 LYS 13 -8.033 -10.619 -4.626 256 HZ3 LYS 13 HZ3 LYS 13 -8.060 -12.299 -4.826 257 H LEU 14 H LEU 14 -2.943 -8.271 -8.726 258 HA LEU 14 HA LEU 14 -0.688 -9.848 -9.777 259 HB2 LEU 14 HB2 LEU 14 -1.927 -7.276 -10.620 260 HB3 LEU 14 HB3 LEU 14 -0.199 -7.505 -10.882 261 HG LEU 14 HG LEU 14 -0.606 -9.383 -12.320 262 HD11 LEU 14 HD11 LEU 14 -3.008 -9.954 -12.897 263 HD12 LEU 14 HD12 LEU 14 -3.462 -9.069 -11.441 264 HD13 LEU 14 HD13 LEU 14 -2.426 -10.491 -11.320 265 HD21 LEU 14 HD21 LEU 14 -2.592 -7.929 -13.685 266 HD22 LEU 14 HD22 LEU 14 -0.849 -7.891 -13.944 267 HD23 LEU 14 HD23 LEU 14 -1.600 -6.749 -12.828 268 H THR 15 H THR 15 1.101 -9.804 -8.604 269 HA THR 15 HA THR 15 1.398 -8.018 -6.384 270 HB THR 15 HB THR 15 2.374 -10.510 -6.927 271 HG1 THR 15 HG1 THR 15 2.180 -9.589 -4.853 272 HG21 THR 15 HG21 THR 15 4.059 -9.425 -8.466 273 HG22 THR 15 HG22 THR 15 4.737 -10.437 -7.190 274 HG23 THR 15 HG23 THR 15 4.766 -8.681 -7.032 275 H HIS 16 H HIS 16 2.003 -7.686 -9.645 276 HA HIS 16 HA HIS 16 4.399 -6.526 -10.054 277 HB2 HIS 16 HB2 HIS 16 1.829 -5.255 -11.007 278 HB3 HIS 16 HB3 HIS 16 3.410 -5.167 -11.778 279 HD1 HIS 16 HD1 HIS 16 3.770 -8.404 -11.228 280 HD2 HIS 16 HD2 HIS 16 0.816 -6.432 -13.383 281 HE1 HIS 16 HE1 HIS 16 2.854 -10.111 -12.831 282 H ARG 17 H ARG 17 5.537 -5.113 -8.916 283 HA ARG 17 HA ARG 17 4.299 -3.296 -7.073 284 HB2 ARG 17 HB2 ARG 17 7.195 -3.453 -7.929 285 HB3 ARG 17 HB3 ARG 17 6.569 -2.627 -6.509 286 HG2 ARG 17 HG2 ARG 17 5.915 -4.721 -5.517 287 HG3 ARG 17 HG3 ARG 17 6.387 -5.594 -6.977 288 HD2 ARG 17 HD2 ARG 17 8.487 -5.731 -6.266 289 HD3 ARG 17 HD3 ARG 17 8.572 -3.980 -6.076 290 HE ARG 17 HE ARG 17 7.204 -5.273 -3.918 291 HH11 ARG 17 HH11 ARG 17 10.329 -4.402 -5.182 292 HH12 ARG 17 HH12 ARG 17 11.100 -4.398 -3.629 293 HH21 ARG 17 HH21 ARG 17 8.208 -5.271 -1.869 294 HH22 ARG 17 HH22 ARG 17 9.892 -4.893 -1.747 295 H LEU 18 H LEU 18 4.642 -3.175 -10.328 296 HA LEU 18 HA LEU 18 5.680 -0.723 -11.006 297 HB2 LEU 18 HB2 LEU 18 4.002 -0.737 -12.876 298 HB3 LEU 18 HB3 LEU 18 5.008 -2.177 -12.733 299 HG LEU 18 HG LEU 18 2.980 -3.152 -11.433 300 HD11 LEU 18 HD11 LEU 18 1.107 -1.738 -13.063 301 HD12 LEU 18 HD12 LEU 18 1.985 -0.594 -12.048 302 HD13 LEU 18 HD13 LEU 18 1.126 -1.947 -11.312 303 HD21 LEU 18 HD21 LEU 18 2.106 -4.063 -13.459 304 HD22 LEU 18 HD22 LEU 18 3.844 -3.852 -13.671 305 HD23 LEU 18 HD23 LEU 18 2.721 -2.704 -14.401 306 H PHE 19 H PHE 19 2.761 -1.417 -9.287 307 HA PHE 19 HA PHE 19 1.188 0.787 -9.720 308 HB2 PHE 19 HB2 PHE 19 0.335 -0.898 -8.296 309 HB3 PHE 19 HB3 PHE 19 1.716 -0.791 -7.209 310 HD1 PHE 19 HD1 PHE 19 0.724 -0.312 -5.156 311 HD2 PHE 19 HD2 PHE 19 -0.327 1.982 -8.584 312 HE1 PHE 19 HE1 PHE 19 -0.525 1.250 -3.724 313 HE2 PHE 19 HE2 PHE 19 -1.578 3.548 -7.157 314 HZ PHE 19 HZ PHE 19 -1.677 3.184 -4.723 315 H ARG 20 H ARG 20 3.571 0.536 -7.073 316 HA ARG 20 HA ARG 20 3.697 3.469 -7.010 317 HB2 ARG 20 HB2 ARG 20 4.592 3.258 -4.777 318 HB3 ARG 20 HB3 ARG 20 3.131 2.287 -4.901 319 HG2 ARG 20 HG2 ARG 20 4.690 0.318 -5.365 320 HG3 ARG 20 HG3 ARG 20 5.981 1.371 -4.783 321 HD2 ARG 20 HD2 ARG 20 4.754 1.673 -2.673 322 HD3 ARG 20 HD3 ARG 20 3.502 0.580 -3.259 323 HE ARG 20 HE ARG 20 5.962 -0.741 -3.404 324 HH11 ARG 20 HH11 ARG 20 3.762 0.509 -1.013 325 HH12 ARG 20 HH12 ARG 20 4.211 -0.649 0.196 326 HH21 ARG 20 HH21 ARG 20 6.562 -2.270 -1.822 327 HH22 ARG 20 HH22 ARG 20 5.806 -2.229 -0.266 328 H ARG 21 H ARG 21 5.623 0.582 -7.457 329 HA ARG 21 HA ARG 21 8.175 1.770 -7.324 330 HB2 ARG 21 HB2 ARG 21 7.440 -0.747 -7.400 331 HB3 ARG 21 HB3 ARG 21 7.610 -0.544 -9.139 332 HG2 ARG 21 HG2 ARG 21 9.777 -0.932 -8.936 333 HG3 ARG 21 HG3 ARG 21 9.929 0.544 -7.979 334 HD2 ARG 21 HD2 ARG 21 9.071 -1.000 -6.041 335 HD3 ARG 21 HD3 ARG 21 9.673 -2.289 -7.083 336 HE ARG 21 HE ARG 21 11.232 -0.426 -5.560 337 HH11 ARG 21 HH11 ARG 21 11.196 -2.464 -8.382 338 HH12 ARG 21 HH12 ARG 21 12.920 -2.629 -8.447 339 HH21 ARG 21 HH21 ARG 21 13.503 -0.635 -5.634 340 HH22 ARG 21 HH22 ARG 21 14.230 -1.588 -6.883 341 H ASN 22 H ASN 22 5.705 1.953 -9.673 342 HA ASN 22 HA ASN 22 7.595 3.154 -11.589 343 HB2 ASN 22 HB2 ASN 22 5.782 1.006 -11.991 344 HB3 ASN 22 HB3 ASN 22 5.160 2.388 -12.888 345 HD21 ASN 22 HD21 ASN 22 8.392 1.094 -12.191 346 HD22 ASN 22 HD22 ASN 22 8.919 1.069 -13.836 347 H PHE 23 H PHE 23 4.053 3.100 -11.206 348 HA PHE 23 HA PHE 23 3.764 5.803 -12.018 349 HB2 PHE 23 HB2 PHE 23 1.731 4.222 -10.448 350 HB3 PHE 23 HB3 PHE 23 1.440 5.528 -11.592 351 HD1 PHE 23 HD1 PHE 23 2.843 4.874 -13.950 352 HD2 PHE 23 HD2 PHE 23 0.888 2.245 -11.233 353 HE1 PHE 23 HE1 PHE 23 2.552 3.229 -15.757 354 HE2 PHE 23 HE2 PHE 23 0.595 0.595 -13.035 355 HZ PHE 23 HZ PHE 23 1.428 1.086 -15.299 356 H GLY 24 H GLY 24 4.807 4.461 -9.131 357 HA2 GLY 24 HA2 GLY 24 3.775 6.641 -7.471 358 HA3 GLY 24 HA3 GLY 24 4.628 5.216 -6.897 359 H TYR 25 H TYR 25 6.811 5.416 -8.764 360 HA TYR 25 HA TYR 25 8.579 6.990 -7.284 361 HB2 TYR 25 HB2 TYR 25 8.713 5.265 -9.564 362 HB3 TYR 25 HB3 TYR 25 9.620 6.732 -9.912 363 HD1 TYR 25 HD1 TYR 25 11.830 6.850 -9.241 364 HD2 TYR 25 HD2 TYR 25 9.207 4.188 -7.207 365 HE1 TYR 25 HE1 TYR 25 13.726 5.995 -7.928 366 HE2 TYR 25 HE2 TYR 25 11.095 3.326 -5.888 367 HH TYR 25 HH TYR 25 13.635 3.173 -6.193 368 H THR 26 H THR 26 6.404 7.838 -9.805 369 HA THR 26 HA THR 26 7.730 10.184 -10.721 370 HB THR 26 HB THR 26 5.915 8.939 -11.968 371 HG1 THR 26 HG1 THR 26 5.525 11.740 -11.586 372 HG21 THR 26 HG21 THR 26 3.918 10.596 -10.502 373 HG22 THR 26 HG22 THR 26 4.435 9.070 -9.783 374 HG23 THR 26 HG23 THR 26 3.699 9.087 -11.386 375 H LEU 27 H LEU 27 5.459 9.495 -8.144 376 HA LEU 27 HA LEU 27 4.534 12.029 -7.537 377 HB2 LEU 27 HB2 LEU 27 4.319 9.548 -6.416 378 HB3 LEU 27 HB3 LEU 27 5.241 10.421 -5.193 379 HG LEU 27 HG LEU 27 2.676 11.535 -6.280 380 HD11 LEU 27 HD11 LEU 27 2.817 9.069 -5.035 381 HD12 LEU 27 HD12 LEU 27 1.394 10.100 -5.166 382 HD13 LEU 27 HD13 LEU 27 2.414 10.185 -3.730 383 HD21 LEU 27 HD21 LEU 27 2.631 12.596 -4.046 384 HD22 LEU 27 HD22 LEU 27 4.044 13.051 -4.999 385 HD23 LEU 27 HD23 LEU 27 4.200 11.868 -3.699 386 H ARG 28 H ARG 28 7.664 10.611 -6.945 387 HA ARG 28 HA ARG 28 8.512 12.697 -5.141 388 HB2 ARG 28 HB2 ARG 28 9.645 10.195 -6.219 389 HB3 ARG 28 HB3 ARG 28 10.815 11.467 -5.895 390 HG2 ARG 28 HG2 ARG 28 9.568 11.605 -3.595 391 HG3 ARG 28 HG3 ARG 28 9.081 9.960 -4.007 392 HD2 ARG 28 HD2 ARG 28 11.293 9.193 -4.047 393 HD3 ARG 28 HD3 ARG 28 11.948 10.827 -4.156 394 HE ARG 28 HE ARG 28 11.270 9.405 -1.776 395 HH11 ARG 28 HH11 ARG 28 11.474 12.578 -3.193 396 HH12 ARG 28 HH12 ARG 28 11.699 13.384 -1.677 397 HH21 ARG 28 HH21 ARG 28 11.565 10.454 0.228 398 HH22 ARG 28 HH22 ARG 28 11.751 12.175 0.269 Start of MODEL 11 1 H1 VAL 1 H VAL 1 5.005 3.588 2.590 2 HA VAL 1 HA VAL 1 4.475 5.838 2.108 3 HB VAL 1 HB VAL 1 6.509 5.132 -0.009 4 HG11 VAL 1 HG11 VAL 1 6.074 7.342 -0.391 5 HG12 VAL 1 HG12 VAL 1 5.604 7.653 1.282 6 HG13 VAL 1 HG13 VAL 1 7.309 7.492 0.859 7 HG21 VAL 1 HG21 VAL 1 7.330 4.159 1.979 8 HG22 VAL 1 HG22 VAL 1 8.162 5.706 1.825 9 HG23 VAL 1 HG23 VAL 1 6.819 5.536 2.955 10 H ALA 2 H ALA 2 2.494 6.284 1.294 11 HA ALA 2 HA ALA 2 2.133 6.008 -1.618 12 HB1 ALA 2 1HB ALA 2 0.553 4.608 -0.531 13 HB2 ALA 2 HB2 ALA 2 0.108 5.883 0.605 14 HB3 ALA 2 HB3 ALA 2 -0.325 6.029 -1.099 15 H ARG 3 H ARG 3 3.145 8.058 -1.959 16 HA ARG 3 HA ARG 3 1.449 10.342 -1.185 17 HB2 ARG 3 HB2 ARG 3 4.240 10.891 -1.977 18 HB3 ARG 3 HB3 ARG 3 3.265 11.615 -0.705 19 HG2 ARG 3 HG2 ARG 3 4.571 8.905 -0.561 20 HG3 ARG 3 HG3 ARG 3 5.197 10.385 0.170 21 HD2 ARG 3 HD2 ARG 3 2.427 9.888 0.881 22 HD3 ARG 3 HD3 ARG 3 3.483 8.557 1.348 23 HE ARG 3 HE ARG 3 4.742 10.878 2.165 24 HH11 ARG 3 HH11 ARG 3 1.750 9.222 2.814 25 HH12 ARG 3 HH12 ARG 3 1.625 9.811 4.439 26 HH21 ARG 3 HH21 ARG 3 4.589 11.660 4.302 27 HH22 ARG 3 HH22 ARG 3 3.241 11.199 5.283 28 H GLY 4 H GLY 4 2.814 8.525 -3.732 29 HA2 GLY 4 HA2 GLY 4 2.874 10.526 -5.749 30 HA3 GLY 4 HA3 GLY 4 2.844 8.790 -6.016 31 H TRP 5 H TRP 5 0.295 8.867 -4.246 32 HA TRP 5 HA TRP 5 -1.524 9.762 -6.386 33 HB2 TRP 5 HB2 TRP 5 -2.478 7.602 -4.613 34 HB3 TRP 5 HB3 TRP 5 -2.668 7.803 -6.352 35 HD1 TRP 5 HD1 TRP 5 -0.098 7.399 -7.688 36 HE1 TRP 5 HE1 TRP 5 1.441 5.363 -7.354 37 HE3 TRP 5 HE3 TRP 5 -1.832 5.810 -3.150 38 HZ2 TRP 5 HZ2 TRP 5 1.862 3.349 -5.421 39 HZ3 TRP 5 HZ3 TRP 5 -0.808 3.821 -2.126 40 HH2 TRP 5 HH2 TRP 5 1.000 2.616 -3.241 41 H LYS 6 H LYS 6 -0.572 10.164 -3.213 42 HA LYS 6 HA LYS 6 -3.211 11.157 -2.378 43 HB2 LYS 6 HB2 LYS 6 -2.376 9.595 -0.791 44 HB3 LYS 6 HB3 LYS 6 -0.775 10.322 -0.810 45 HG2 LYS 6 HG2 LYS 6 -2.936 12.130 0.007 46 HG3 LYS 6 HG3 LYS 6 -2.647 10.767 1.091 47 HD2 LYS 6 HD2 LYS 6 -0.666 11.579 1.779 48 HD3 LYS 6 HD3 LYS 6 -0.215 12.120 0.160 49 HE2 LYS 6 HE2 LYS 6 -0.436 14.135 1.231 50 HE3 LYS 6 HE3 LYS 6 -2.069 13.928 0.596 51 HZ1 LYS 6 HZ1 LYS 6 -1.282 14.242 3.257 52 HZ2 LYS 6 HZ2 LYS 6 -1.916 12.682 3.102 53 HZ3 LYS 6 HZ3 LYS 6 -2.846 14.020 2.651 54 H ARG 7 H ARG 7 0.006 12.101 -3.183 55 HA ARG 7 HA ARG 7 -0.616 14.870 -2.390 56 HB2 ARG 7 HB2 ARG 7 1.231 14.115 -1.069 57 HB3 ARG 7 HB3 ARG 7 2.035 13.433 -2.476 58 HG2 ARG 7 HG2 ARG 7 1.608 16.181 -2.992 59 HG3 ARG 7 HG3 ARG 7 2.281 16.035 -1.368 60 HD2 ARG 7 HD2 ARG 7 3.632 14.263 -3.190 61 HD3 ARG 7 HD3 ARG 7 3.657 15.916 -3.802 62 HE ARG 7 HE ARG 7 4.389 15.664 -1.026 63 HH11 ARG 7 HH11 ARG 7 5.514 15.647 -4.322 64 HH12 ARG 7 HH12 ARG 7 7.142 16.064 -3.906 65 HH21 ARG 7 HH21 ARG 7 6.531 16.214 -0.466 66 HH22 ARG 7 HH22 ARG 7 7.720 16.387 -1.712 67 H LYS 8 H LYS 8 0.798 12.768 -4.833 68 HA LYS 8 HA LYS 8 1.193 14.991 -6.666 69 HB2 LYS 8 HB2 LYS 8 2.034 12.165 -6.525 70 HB3 LYS 8 HB3 LYS 8 1.709 12.768 -8.145 71 HG2 LYS 8 HG2 LYS 8 4.022 13.069 -7.722 72 HG3 LYS 8 HG3 LYS 8 3.266 14.663 -7.664 73 HD2 LYS 8 HD2 LYS 8 4.433 14.849 -5.740 74 HD3 LYS 8 HD3 LYS 8 3.074 13.945 -5.069 75 HE2 LYS 8 HE2 LYS 8 4.977 12.815 -4.300 76 HE3 LYS 8 HE3 LYS 8 4.403 11.848 -5.657 77 HZ1 LYS 8 HZ1 LYS 8 6.772 12.111 -5.792 78 HZ2 LYS 8 HZ2 LYS 8 6.643 13.795 -5.707 79 HZ3 LYS 8 HZ3 LYS 8 6.056 12.969 -7.062 80 H CYS 9 H CYS 9 -1.264 15.310 -6.424 81 HA CYS 9 HA CYS 9 -2.943 13.506 -7.897 82 HB2 CYS 9 HB2 CYS 9 -4.211 14.562 -6.305 83 HB3 CYS 9 HB3 CYS 9 -3.309 16.067 -6.431 84 HG CYS 9 HG CYS 9 -6.242 15.658 -7.433 85 HA PRO 10 HA PRO 10 -2.967 17.106 -11.114 86 HB2 PRO 10 HB2 PRO 10 -1.197 19.129 -10.740 87 HB3 PRO 10 HB3 PRO 10 -2.827 19.141 -10.058 88 HG2 PRO 10 HG2 PRO 10 -0.231 18.430 -8.747 89 HG3 PRO 10 HG3 PRO 10 -1.574 19.401 -8.116 90 HD2 PRO 10 HD2 PRO 10 -1.202 16.809 -7.428 91 HD3 PRO 10 HD3 PRO 10 -2.813 17.545 -7.542 92 H LEU 11 H LEU 11 -0.251 15.570 -9.803 93 HA LEU 11 HA LEU 11 1.338 15.954 -12.240 94 HB2 LEU 11 HB2 LEU 11 2.003 14.960 -9.488 95 HB3 LEU 11 HB3 LEU 11 3.086 14.694 -10.852 96 HG LEU 11 HG LEU 11 2.490 17.444 -10.842 97 HD11 LEU 11 HD11 LEU 11 1.880 16.669 -8.358 98 HD12 LEU 11 HD12 LEU 11 2.627 18.224 -8.723 99 HD13 LEU 11 HD13 LEU 11 3.621 16.876 -8.170 100 HD21 LEU 11 HD21 LEU 11 4.782 17.675 -10.792 101 HD22 LEU 11 HD22 LEU 11 4.608 16.023 -11.383 102 HD23 LEU 11 HD23 LEU 11 5.004 16.317 -9.689 103 H PHE 12 H PHE 12 0.902 13.213 -10.006 104 HA PHE 12 HA PHE 12 1.373 11.240 -11.934 105 HB2 PHE 12 HB2 PHE 12 0.853 11.312 -9.179 106 HB3 PHE 12 HB3 PHE 12 -0.418 10.304 -9.864 107 HD1 PHE 12 HD1 PHE 12 3.205 10.744 -10.642 108 HD2 PHE 12 HD2 PHE 12 0.065 8.087 -9.550 109 HE1 PHE 12 HE1 PHE 12 4.774 8.851 -10.751 110 HE2 PHE 12 HE2 PHE 12 1.629 6.189 -9.656 111 HZ PHE 12 HZ PHE 12 3.986 6.571 -10.257 112 H GLY 13 H GLY 13 -1.393 13.166 -11.349 113 HA2 GLY 13 HA2 GLY 13 -3.080 11.329 -12.926 114 HA3 GLY 13 HA3 GLY 13 -3.689 12.568 -11.838 115 H LYS 14 H LYS 14 -3.500 14.792 -12.474 116 HA LYS 14 HA LYS 14 -4.357 15.363 -15.018 117 HB2 LYS 14 HB2 LYS 14 -4.123 16.841 -12.834 118 HB3 LYS 14 HB3 LYS 14 -2.654 17.386 -13.632 119 HG2 LYS 14 HG2 LYS 14 -3.789 18.688 -15.027 120 HG3 LYS 14 HG3 LYS 14 -4.919 17.394 -15.433 121 HD2 LYS 14 HD2 LYS 14 -6.425 18.697 -14.384 122 HD3 LYS 14 HD3 LYS 14 -5.720 18.018 -12.914 123 HE2 LYS 14 HE2 LYS 14 -5.614 20.264 -12.449 124 HE3 LYS 14 HE3 LYS 14 -4.029 20.001 -13.177 125 HZ1 LYS 14 HZ1 LYS 14 -5.542 21.961 -13.951 126 HZ2 LYS 14 HZ2 LYS 14 -6.267 20.772 -14.911 127 HZ3 LYS 14 HZ3 LYS 14 -4.616 21.101 -15.075 128 H GLY 15 H GLY 15 -1.023 15.727 -13.799 129 HA2 GLY 15 HA2 GLY 15 0.146 16.549 -16.198 130 HA3 GLY 15 HA3 GLY 15 0.992 15.727 -14.896 131 H GLY 16 H GLY 16 -0.246 13.260 -14.903 132 HA2 GLY 16 HA2 GLY 16 1.156 11.869 -16.854 133 HA3 GLY 16 HA3 GLY 16 -0.210 11.221 -15.956 134 H1 LYS 1 H LYS 1 -7.313 8.743 -12.442 135 HA LYS 1 HA LYS 1 -5.365 7.690 -14.382 136 HB2 LYS 1 HB2 LYS 1 -4.873 9.847 -12.330 137 HB3 LYS 1 HB3 LYS 1 -3.849 9.410 -13.692 138 HG2 LYS 1 HG2 LYS 1 -4.822 11.104 -14.756 139 HG3 LYS 1 HG3 LYS 1 -6.226 10.045 -14.906 140 HD2 LYS 1 HD2 LYS 1 -6.506 11.091 -12.376 141 HD3 LYS 1 HD3 LYS 1 -5.854 12.449 -13.296 142 HE2 LYS 1 HE2 LYS 1 -7.702 11.587 -15.033 143 HE3 LYS 1 HE3 LYS 1 -8.458 11.061 -13.529 144 HZ1 LYS 1 HZ1 LYS 1 -9.130 13.309 -14.215 145 HZ2 LYS 1 HZ2 LYS 1 -7.527 13.830 -14.065 146 HZ3 LYS 1 HZ3 LYS 1 -8.374 13.296 -12.701 147 H TYR 2 H TYR 2 -5.283 8.564 -10.927 148 HA TYR 2 HA TYR 2 -3.683 6.163 -10.425 149 HB2 TYR 2 HB2 TYR 2 -3.350 7.281 -8.151 150 HB3 TYR 2 HB3 TYR 2 -2.622 8.078 -9.540 151 HD1 TYR 2 HD1 TYR 2 -5.608 8.160 -7.326 152 HD2 TYR 2 HD2 TYR 2 -3.112 10.317 -10.014 153 HE1 TYR 2 HE1 TYR 2 -6.786 10.240 -6.741 154 HE2 TYR 2 HE2 TYR 2 -4.282 12.402 -9.436 155 HH TYR 2 HH TYR 2 -7.029 12.406 -7.189 156 H GLU 3 H GLU 3 -6.620 6.164 -10.851 157 HA GLU 3 HA GLU 3 -7.788 5.609 -8.277 158 HB2 GLU 3 HB2 GLU 3 -8.721 5.964 -11.001 159 HB3 GLU 3 HB3 GLU 3 -9.484 4.575 -10.238 160 HG2 GLU 3 HG2 GLU 3 -10.877 5.932 -9.196 161 HG3 GLU 3 HG3 GLU 3 -9.517 6.670 -8.352 162 H ILE 4 H ILE 4 -5.673 3.937 -10.115 163 HA ILE 4 HA ILE 4 -6.744 1.333 -9.240 164 HB ILE 4 HB ILE 4 -4.894 1.768 -11.584 165 HG12 ILE 4 HG12 ILE 4 -7.201 0.921 -12.705 166 HG13 ILE 4 HG13 ILE 4 -7.848 1.858 -11.363 167 HG21 ILE 4 HG21 ILE 4 -5.705 -0.570 -12.132 168 HG22 ILE 4 HG22 ILE 4 -4.624 -0.420 -10.747 169 HG23 ILE 4 HG23 ILE 4 -6.358 -0.620 -10.495 170 HD11 ILE 4 HD11 ILE 4 -6.165 3.668 -12.242 171 HD12 ILE 4 HD12 ILE 4 -6.320 2.756 -13.744 172 HD13 ILE 4 HD13 ILE 4 -7.750 3.455 -12.984 173 H THR 5 H THR 5 -4.299 3.599 -8.867 174 HA THR 5 HA THR 5 -2.456 1.577 -7.770 175 HB THR 5 HB THR 5 -1.049 3.986 -7.937 176 HG1 THR 5 HG1 THR 5 -2.288 4.978 -9.409 177 HG21 THR 5 HG21 THR 5 -1.079 1.518 -9.666 178 HG22 THR 5 HG22 THR 5 -0.000 1.888 -8.321 179 HG23 THR 5 HG23 THR 5 0.128 2.792 -9.829 180 H THR 6 H THR 6 -4.768 3.646 -6.818 181 HA THR 6 HA THR 6 -3.367 4.361 -4.324 182 HB THR 6 HB THR 6 -4.431 6.179 -5.938 183 HG1 THR 6 HG1 THR 6 -4.888 7.389 -3.909 184 HG21 THR 6 HG21 THR 6 -6.677 5.047 -5.826 185 HG22 THR 6 HG22 THR 6 -6.684 6.758 -5.399 186 HG23 THR 6 HG23 THR 6 -6.759 5.532 -4.134 187 H ILE 7 H ILE 7 -6.258 2.975 -5.744 188 HA ILE 7 HA ILE 7 -7.091 2.098 -3.055 189 HB ILE 7 HB ILE 7 -8.693 3.671 -4.118 190 HG12 ILE 7 HG12 ILE 7 -9.248 1.548 -2.623 191 HG13 ILE 7 HG13 ILE 7 -10.526 2.554 -3.297 192 HG21 ILE 7 HG21 ILE 7 -8.380 3.164 -6.434 193 HG22 ILE 7 HG22 ILE 7 -8.886 1.493 -6.189 194 HG23 ILE 7 HG23 ILE 7 -10.055 2.801 -6.019 195 HD11 ILE 7 HD11 ILE 7 -10.639 -0.039 -3.482 196 HD12 ILE 7 HD12 ILE 7 -11.141 0.974 -4.836 197 HD13 ILE 7 HD13 ILE 7 -9.553 0.209 -4.848 198 H HIS 8 H HIS 8 -6.511 1.212 -6.378 199 HA HIS 8 HA HIS 8 -7.193 -1.583 -5.774 200 HB2 HIS 8 HB2 HIS 8 -7.664 0.049 -8.043 201 HB3 HIS 8 HB3 HIS 8 -6.509 -1.189 -8.529 202 HD1 HIS 8 HD1 HIS 8 -10.029 -0.624 -8.238 203 HD2 HIS 8 HD2 HIS 8 -7.528 -3.905 -7.755 204 HE1 HIS 8 HE1 HIS 8 -11.525 -2.639 -8.401 205 H ASN 9 H ASN 9 -4.593 0.438 -5.792 206 HA ASN 9 HA ASN 9 -2.561 -0.849 -7.144 207 HB2 ASN 9 HB2 ASN 9 -1.422 0.840 -6.226 208 HB3 ASN 9 HB3 ASN 9 -2.764 1.162 -5.133 209 HD21 ASN 9 HD21 ASN 9 0.434 0.280 -5.352 210 HD22 ASN 9 HD22 ASN 9 0.659 -0.316 -3.744 211 H LEU 10 H LEU 10 -4.240 -1.843 -4.295 212 HA LEU 10 HA LEU 10 -2.400 -3.526 -3.079 213 HB2 LEU 10 HB2 LEU 10 -4.166 -4.434 -1.915 214 HB3 LEU 10 HB3 LEU 10 -4.805 -2.863 -2.398 215 HG LEU 10 HG LEU 10 -5.389 -5.434 -3.862 216 HD11 LEU 10 HD11 LEU 10 -6.241 -5.529 -1.562 217 HD12 LEU 10 HD12 LEU 10 -7.542 -5.428 -2.747 218 HD13 LEU 10 HD13 LEU 10 -7.083 -4.001 -1.820 219 HD21 LEU 10 HD21 LEU 10 -7.426 -3.668 -4.318 220 HD22 LEU 10 HD22 LEU 10 -6.070 -3.965 -5.407 221 HD23 LEU 10 HD23 LEU 10 -6.015 -2.610 -4.279 222 H PHE 11 H PHE 11 -4.228 -3.953 -6.009 223 HA PHE 11 HA PHE 11 -3.028 -6.627 -6.322 224 HB2 PHE 11 HB2 PHE 11 -5.761 -5.883 -6.427 225 HB3 PHE 11 HB3 PHE 11 -5.272 -6.273 -8.072 226 HD1 PHE 11 HD1 PHE 11 -4.137 -7.740 -4.851 227 HD2 PHE 11 HD2 PHE 11 -6.220 -8.339 -8.514 228 HE1 PHE 11 HE1 PHE 11 -4.343 -10.138 -4.339 229 HE2 PHE 11 HE2 PHE 11 -6.430 -10.737 -8.008 230 HZ PHE 11 HZ PHE 11 -5.492 -11.640 -5.917 231 H ARG 12 H ARG 12 -1.999 -3.950 -7.069 232 HA ARG 12 HA ARG 12 -2.248 -3.449 -9.805 233 HB2 ARG 12 HB2 ARG 12 -0.178 -2.176 -9.601 234 HB3 ARG 12 HB3 ARG 12 -1.225 -1.872 -8.221 235 HG2 ARG 12 HG2 ARG 12 0.165 -3.734 -7.074 236 HG3 ARG 12 HG3 ARG 12 1.338 -3.395 -8.348 237 HD2 ARG 12 HD2 ARG 12 1.577 -1.144 -7.652 238 HD3 ARG 12 HD3 ARG 12 0.168 -1.246 -6.598 239 HE ARG 12 HE ARG 12 1.822 -3.099 -5.555 240 HH11 ARG 12 HH11 ARG 12 2.269 0.238 -6.442 241 HH12 ARG 12 HH12 ARG 12 3.473 0.534 -5.233 242 HH21 ARG 12 HH21 ARG 12 3.408 -2.721 -3.959 243 HH22 ARG 12 HH22 ARG 12 4.122 -1.150 -3.822 244 H LYS 13 H LYS 13 -0.524 -5.908 -8.112 245 HA LYS 13 HA LYS 13 1.232 -6.544 -10.321 246 HB2 LYS 13 HB2 LYS 13 0.691 -7.963 -7.707 247 HB3 LYS 13 HB3 LYS 13 1.890 -8.480 -8.886 248 HG2 LYS 13 HG2 LYS 13 3.336 -6.818 -8.355 249 HG3 LYS 13 HG3 LYS 13 2.052 -5.679 -7.944 250 HD2 LYS 13 HD2 LYS 13 2.483 -8.077 -6.219 251 HD3 LYS 13 HD3 LYS 13 3.581 -6.703 -6.075 252 HE2 LYS 13 HE2 LYS 13 1.877 -5.265 -5.385 253 HE3 LYS 13 HE3 LYS 13 0.608 -6.322 -6.002 254 HZ1 LYS 13 HZ1 LYS 13 0.743 -6.394 -3.588 255 HZ2 LYS 13 HZ2 LYS 13 2.353 -6.910 -3.671 256 HZ3 LYS 13 HZ3 LYS 13 1.115 -7.903 -4.256 257 H LEU 14 H LEU 14 -1.944 -6.880 -10.000 258 HA LEU 14 HA LEU 14 -2.276 -9.643 -10.742 259 HB2 LEU 14 HB2 LEU 14 -4.000 -8.563 -9.454 260 HB3 LEU 14 HB3 LEU 14 -4.192 -7.318 -10.687 261 HG LEU 14 HG LEU 14 -4.841 -9.346 -12.211 262 HD11 LEU 14 HD11 LEU 14 -5.157 -11.321 -11.251 263 HD12 LEU 14 HD12 LEU 14 -6.153 -10.610 -9.983 264 HD13 LEU 14 HD13 LEU 14 -4.401 -10.674 -9.796 265 HD21 LEU 14 HD21 LEU 14 -7.193 -9.120 -10.806 266 HD22 LEU 14 HD22 LEU 14 -6.642 -8.033 -12.082 267 HD23 LEU 14 HD23 LEU 14 -6.337 -7.634 -10.391 268 H THR 15 H THR 15 -3.532 -6.790 -12.443 269 HA THR 15 HA THR 15 -2.757 -8.072 -14.978 270 HB THR 15 HB THR 15 -4.483 -6.157 -15.779 271 HG1 THR 15 HG1 THR 15 -5.329 -6.963 -13.176 272 HG21 THR 15 HG21 THR 15 -4.508 -8.976 -15.437 273 HG22 THR 15 HG22 THR 15 -5.454 -8.001 -16.562 274 HG23 THR 15 HG23 THR 15 -6.090 -8.359 -14.957 275 H HIS 16 H HIS 16 -3.673 -4.711 -14.460 276 HA HIS 16 HA HIS 16 -1.789 -3.603 -16.139 277 HB2 HIS 16 HB2 HIS 16 -2.777 -2.220 -13.646 278 HB3 HIS 16 HB3 HIS 16 -2.320 -1.488 -15.181 279 HD1 HIS 16 HD1 HIS 16 -5.196 -2.702 -13.332 280 HD2 HIS 16 HD2 HIS 16 -4.215 -2.139 -17.330 281 HE1 HIS 16 HE1 HIS 16 -7.384 -2.718 -14.570 282 H ARG 17 H ARG 17 0.319 -4.116 -16.010 283 HA ARG 17 HA ARG 17 1.658 -4.167 -13.425 284 HB2 ARG 17 HB2 ARG 17 3.555 -5.087 -14.619 285 HB3 ARG 17 HB3 ARG 17 2.095 -5.953 -15.081 286 HG2 ARG 17 HG2 ARG 17 2.129 -4.099 -17.011 287 HG3 ARG 17 HG3 ARG 17 3.859 -4.216 -16.684 288 HD2 ARG 17 HD2 ARG 17 2.395 -6.769 -16.919 289 HD3 ARG 17 HD3 ARG 17 2.553 -5.824 -18.398 290 HE ARG 17 HE ARG 17 4.594 -7.314 -17.116 291 HH11 ARG 17 HH11 ARG 17 4.029 -4.372 -18.887 292 HH12 ARG 17 HH12 ARG 17 5.644 -4.284 -19.511 293 HH21 ARG 17 HH21 ARG 17 6.723 -7.209 -17.930 294 HH22 ARG 17 HH22 ARG 17 7.174 -5.899 -18.966 295 H LEU 18 H LEU 18 1.306 -2.119 -16.186 296 HA LEU 18 HA LEU 18 3.664 -0.579 -15.876 297 HB2 LEU 18 HB2 LEU 18 2.338 1.138 -17.194 298 HB3 LEU 18 HB3 LEU 18 2.616 -0.426 -17.958 299 HG LEU 18 HG LEU 18 0.102 -0.396 -16.532 300 HD11 LEU 18 HD11 LEU 18 0.350 2.053 -17.116 301 HD12 LEU 18 HD12 LEU 18 -1.086 1.243 -17.739 302 HD13 LEU 18 HD13 LEU 18 0.280 1.560 -18.808 303 HD21 LEU 18 HD21 LEU 18 -0.719 -1.081 -18.770 304 HD22 LEU 18 HD22 LEU 18 0.641 -2.046 -18.194 305 HD23 LEU 18 HD23 LEU 18 0.899 -0.796 -19.412 306 H PHE 19 H PHE 19 0.863 -0.800 -14.009 307 HA PHE 19 HA PHE 19 0.838 1.922 -13.064 308 HB2 PHE 19 HB2 PHE 19 -0.812 -0.454 -12.753 309 HB3 PHE 19 HB3 PHE 19 -0.575 0.385 -11.224 310 HD1 PHE 19 HD1 PHE 19 -2.741 0.094 -13.841 311 HD2 PHE 19 HD2 PHE 19 -0.716 3.101 -11.610 312 HE1 PHE 19 HE1 PHE 19 -4.473 1.725 -14.474 313 HE2 PHE 19 HE2 PHE 19 -2.445 4.735 -12.239 314 HZ PHE 19 HZ PHE 19 -4.326 4.049 -13.671 315 H ARG 20 H ARG 20 2.443 -1.014 -12.243 316 HA ARG 20 HA ARG 20 3.376 0.162 -9.710 317 HB2 ARG 20 HB2 ARG 20 2.325 -1.955 -9.319 318 HB3 ARG 20 HB3 ARG 20 3.222 -2.708 -10.630 319 HG2 ARG 20 HG2 ARG 20 5.068 -1.594 -8.761 320 HG3 ARG 20 HG3 ARG 20 3.894 -2.593 -7.902 321 HD2 ARG 20 HD2 ARG 20 4.598 -4.509 -8.888 322 HD3 ARG 20 HD3 ARG 20 4.996 -3.707 -10.407 323 HE ARG 20 HE ARG 20 7.134 -3.374 -9.641 324 HH11 ARG 20 HH11 ARG 20 5.091 -4.358 -7.000 325 HH12 ARG 20 HH12 ARG 20 6.405 -4.580 -5.894 326 HH21 ARG 20 HH21 ARG 20 8.874 -3.662 -8.194 327 HH22 ARG 20 HH22 ARG 20 8.556 -4.184 -6.575 328 H ARG 21 H ARG 21 4.376 -1.277 -12.750 329 HA ARG 21 HA ARG 21 7.182 -1.191 -12.106 330 HB2 ARG 21 HB2 ARG 21 5.742 -2.645 -13.879 331 HB3 ARG 21 HB3 ARG 21 6.358 -1.383 -14.937 332 HG2 ARG 21 HG2 ARG 21 8.449 -2.183 -14.881 333 HG3 ARG 21 HG3 ARG 21 8.364 -2.566 -13.161 334 HD2 ARG 21 HD2 ARG 21 6.748 -4.458 -13.975 335 HD3 ARG 21 HD3 ARG 21 7.563 -4.210 -15.519 336 HE ARG 21 HE ARG 21 8.614 -5.528 -13.226 337 HH11 ARG 21 HH11 ARG 21 9.494 -3.534 -15.942 338 HH12 ARG 21 HH12 ARG 21 11.127 -4.109 -16.001 339 HH21 ARG 21 HH21 ARG 21 10.762 -6.293 -13.295 340 HH22 ARG 21 HH22 ARG 21 11.847 -5.679 -14.496 341 H ASN 22 H ASN 22 4.852 0.974 -13.396 342 HA ASN 22 HA ASN 22 7.004 2.836 -14.166 343 HB2 ASN 22 HB2 ASN 22 5.090 1.865 -15.853 344 HB3 ASN 22 HB3 ASN 22 4.324 3.345 -15.282 345 HD21 ASN 22 HD21 ASN 22 4.476 4.386 -17.237 346 HD22 ASN 22 HD22 ASN 22 5.977 4.927 -17.898 347 H PHE 23 H PHE 23 3.624 2.720 -13.041 348 HA PHE 23 HA PHE 23 3.915 5.353 -11.836 349 HB2 PHE 23 HB2 PHE 23 1.547 3.489 -12.070 350 HB3 PHE 23 HB3 PHE 23 1.488 5.061 -11.279 351 HD1 PHE 23 HD1 PHE 23 1.330 3.292 -14.392 352 HD2 PHE 23 HD2 PHE 23 1.971 7.119 -12.644 353 HE1 PHE 23 HE1 PHE 23 0.856 4.357 -16.558 354 HE2 PHE 23 HE2 PHE 23 1.498 8.191 -14.807 355 HZ PHE 23 HZ PHE 23 0.938 6.811 -16.768 356 H GLY 24 H GLY 24 5.045 2.577 -10.901 357 HA2 GLY 24 HA2 GLY 24 4.088 2.780 -8.115 358 HA3 GLY 24 HA3 GLY 24 4.738 1.318 -8.839 359 H TYR 25 H TYR 25 6.803 3.217 -10.149 360 HA TYR 25 HA TYR 25 8.955 2.647 -8.519 361 HB2 TYR 25 HB2 TYR 25 8.452 4.495 -10.766 362 HB3 TYR 25 HB3 TYR 25 9.824 4.910 -9.745 363 HD1 TYR 25 HD1 TYR 25 8.492 1.604 -10.861 364 HD2 TYR 25 HD2 TYR 25 11.751 4.339 -10.894 365 HE1 TYR 25 HE1 TYR 25 9.867 -0.058 -12.043 366 HE2 TYR 25 HE2 TYR 25 13.134 2.685 -12.078 367 HH TYR 25 HH TYR 25 13.283 0.448 -12.603 368 H THR 26 H THR 26 6.701 5.304 -8.345 369 HA THR 26 HA THR 26 8.081 7.126 -6.786 370 HB THR 26 HB THR 26 5.569 7.314 -5.728 371 HG1 THR 26 HG1 THR 26 4.962 5.467 -7.071 372 HG21 THR 26 HG21 THR 26 6.979 8.464 -8.054 373 HG22 THR 26 HG22 THR 26 6.227 9.265 -6.674 374 HG23 THR 26 HG23 THR 26 5.231 8.700 -8.016 375 H LEU 27 H LEU 27 9.236 6.628 -5.031 376 HA LEU 27 HA LEU 27 7.987 4.912 -2.987 377 HB2 LEU 27 HB2 LEU 27 10.790 5.180 -3.949 378 HB3 LEU 27 HB3 LEU 27 10.522 4.782 -2.253 379 HG LEU 27 HG LEU 27 9.056 3.116 -4.193 380 HD11 LEU 27 HD11 LEU 27 11.995 3.414 -4.262 381 HD12 LEU 27 HD12 LEU 27 10.873 2.903 -5.523 382 HD13 LEU 27 HD13 LEU 27 11.361 1.768 -4.266 383 HD21 LEU 27 HD21 LEU 27 10.808 1.911 -2.182 384 HD22 LEU 27 HD22 LEU 27 9.094 1.645 -2.505 385 HD23 LEU 27 HD23 LEU 27 9.603 3.019 -1.523 386 H ARG 28 H ARG 28 9.489 7.956 -3.679 387 HA ARG 28 HA ARG 28 9.284 8.708 -0.838 388 HB2 ARG 28 HB2 ARG 28 10.862 10.556 -1.425 389 HB3 ARG 28 HB3 ARG 28 11.546 8.946 -1.600 390 HG2 ARG 28 HG2 ARG 28 10.404 9.655 -4.087 391 HG3 ARG 28 HG3 ARG 28 11.360 11.028 -3.524 392 HD2 ARG 28 HD2 ARG 28 13.056 9.023 -2.957 393 HD3 ARG 28 HD3 ARG 28 12.210 8.315 -4.333 394 HE ARG 28 HE ARG 28 14.098 10.465 -4.389 395 HH11 ARG 28 HH11 ARG 28 11.322 9.098 -5.984 396 HH12 ARG 28 HH12 ARG 28 11.700 9.795 -7.524 397 HH21 ARG 28 HH21 ARG 28 14.608 11.387 -6.412 398 HH22 ARG 28 HH22 ARG 28 13.570 11.095 -7.767 Start of MODEL 12 1 H1 VAL 1 H VAL 1 -3.262 8.582 8.024 2 HA VAL 1 HA VAL 1 -4.590 9.752 6.592 3 HB VAL 1 HB VAL 1 -3.625 11.705 7.745 4 HG11 VAL 1 HG11 VAL 1 -1.499 12.267 7.451 5 HG12 VAL 1 HG12 VAL 1 -1.333 11.033 6.201 6 HG13 VAL 1 HG13 VAL 1 -1.840 12.666 5.766 7 HG21 VAL 1 HG21 VAL 1 -3.742 12.553 4.902 8 HG22 VAL 1 HG22 VAL 1 -5.146 11.725 5.572 9 HG23 VAL 1 HG23 VAL 1 -4.564 13.214 6.314 10 H ALA 2 H ALA 2 -4.984 10.047 4.386 11 HA ALA 2 HA ALA 2 -3.223 8.601 2.649 12 HB1 ALA 2 1HB ALA 2 -5.243 8.193 1.792 13 HB2 ALA 2 HB2 ALA 2 -5.949 9.619 2.554 14 HB3 ALA 2 HB3 ALA 2 -5.100 9.770 1.016 15 H ARG 3 H ARG 3 -1.350 9.591 2.140 16 HA ARG 3 HA ARG 3 -1.514 12.320 1.041 17 HB2 ARG 3 HB2 ARG 3 1.113 11.339 1.975 18 HB3 ARG 3 HB3 ARG 3 0.388 12.935 2.119 19 HG2 ARG 3 HG2 ARG 3 -1.021 12.121 3.949 20 HG3 ARG 3 HG3 ARG 3 -0.268 10.531 3.811 21 HD2 ARG 3 HD2 ARG 3 1.940 11.981 4.071 22 HD3 ARG 3 HD3 ARG 3 0.825 13.073 4.890 23 HE ARG 3 HE ARG 3 0.518 10.433 5.860 24 HH11 ARG 3 HH11 ARG 3 2.658 13.175 5.998 25 HH12 ARG 3 HH12 ARG 3 3.273 12.781 7.568 26 HH21 ARG 3 HH21 ARG 3 1.320 9.903 7.928 27 HH22 ARG 3 HH22 ARG 3 2.513 10.920 8.666 28 H GLY 4 H GLY 4 -0.686 9.058 0.472 29 HA2 GLY 4 HA2 GLY 4 1.255 9.431 -1.575 30 HA3 GLY 4 HA3 GLY 4 0.321 7.971 -1.288 31 H TRP 5 H TRP 5 -2.131 9.862 -1.514 32 HA TRP 5 HA TRP 5 -2.172 9.941 -4.461 33 HB2 TRP 5 HB2 TRP 5 -4.034 8.704 -2.540 34 HB3 TRP 5 HB3 TRP 5 -4.804 9.658 -3.805 35 HD1 TRP 5 HD1 TRP 5 -1.637 7.551 -4.391 36 HE1 TRP 5 HE1 TRP 5 -2.196 5.710 -6.101 37 HE3 TRP 5 HE3 TRP 5 -6.674 8.327 -4.803 38 HZ2 TRP 5 HZ2 TRP 5 -4.470 4.718 -7.446 39 HZ3 TRP 5 HZ3 TRP 5 -7.967 6.889 -6.323 40 HH2 TRP 5 HH2 TRP 5 -6.887 5.123 -7.617 41 H LYS 6 H LYS 6 -2.375 11.713 -1.643 42 HA LYS 6 HA LYS 6 -4.116 13.766 -2.804 43 HB2 LYS 6 HB2 LYS 6 -3.163 13.156 -0.035 44 HB3 LYS 6 HB3 LYS 6 -3.652 14.798 -0.428 45 HG2 LYS 6 HG2 LYS 6 -5.495 13.588 0.554 46 HG3 LYS 6 HG3 LYS 6 -5.848 13.965 -1.134 47 HD2 LYS 6 HD2 LYS 6 -5.425 11.734 -1.815 48 HD3 LYS 6 HD3 LYS 6 -4.696 11.323 -0.260 49 HE2 LYS 6 HE2 LYS 6 -7.594 12.011 -0.747 50 HE3 LYS 6 HE3 LYS 6 -6.945 10.400 -0.447 51 HZ1 LYS 6 HZ1 LYS 6 -6.026 11.798 1.663 52 HZ2 LYS 6 HZ2 LYS 6 -7.427 10.850 1.673 53 HZ3 LYS 6 HZ3 LYS 6 -7.537 12.517 1.415 54 H ARG 7 H ARG 7 -0.818 13.040 -2.182 55 HA ARG 7 HA ARG 7 -0.028 15.835 -2.605 56 HB2 ARG 7 HB2 ARG 7 0.999 14.835 -0.669 57 HB3 ARG 7 HB3 ARG 7 1.526 13.446 -1.610 58 HG2 ARG 7 HG2 ARG 7 2.522 15.891 -2.757 59 HG3 ARG 7 HG3 ARG 7 2.972 15.757 -1.056 60 HD2 ARG 7 HD2 ARG 7 4.331 13.990 -1.418 61 HD3 ARG 7 HD3 ARG 7 3.286 13.306 -2.663 62 HE ARG 7 HE ARG 7 4.632 15.697 -3.499 63 HH11 ARG 7 HH11 ARG 7 4.905 12.243 -3.163 64 HH12 ARG 7 HH12 ARG 7 6.105 12.086 -4.402 65 HH21 ARG 7 HH21 ARG 7 6.214 15.504 -5.131 66 HH22 ARG 7 HH22 ARG 7 6.850 13.941 -5.520 67 H LYS 8 H LYS 8 0.048 12.664 -4.027 68 HA LYS 8 HA LYS 8 2.023 13.241 -6.009 69 HB2 LYS 8 HB2 LYS 8 0.087 11.030 -5.497 70 HB3 LYS 8 HB3 LYS 8 0.786 11.168 -7.106 71 HG2 LYS 8 HG2 LYS 8 2.082 9.629 -5.793 72 HG3 LYS 8 HG3 LYS 8 3.036 11.081 -6.105 73 HD2 LYS 8 HD2 LYS 8 2.886 11.808 -3.912 74 HD3 LYS 8 HD3 LYS 8 1.424 10.870 -3.595 75 HE2 LYS 8 HE2 LYS 8 4.192 9.740 -4.000 76 HE3 LYS 8 HE3 LYS 8 3.381 9.937 -2.448 77 HZ1 LYS 8 HZ1 LYS 8 2.903 7.769 -2.917 78 HZ2 LYS 8 HZ2 LYS 8 2.849 8.007 -4.591 79 HZ3 LYS 8 HZ3 LYS 8 1.556 8.510 -3.622 80 H CYS 9 H CYS 9 1.114 15.327 -6.691 81 HA CYS 9 HA CYS 9 -1.365 15.390 -8.121 82 HB2 CYS 9 HB2 CYS 9 0.641 17.291 -7.255 83 HB3 CYS 9 HB3 CYS 9 0.155 17.604 -8.917 84 HG CYS 9 HG CYS 9 -1.484 18.184 -6.092 85 HA PRO 10 HA PRO 10 1.474 15.658 -12.012 86 HB2 PRO 10 HB2 PRO 10 4.133 15.238 -11.661 87 HB3 PRO 10 HB3 PRO 10 3.388 16.837 -11.541 88 HG2 PRO 10 HG2 PRO 10 4.173 14.945 -9.358 89 HG3 PRO 10 HG3 PRO 10 4.397 16.701 -9.450 90 HD2 PRO 10 HD2 PRO 10 2.400 15.559 -8.021 91 HD3 PRO 10 HD3 PRO 10 2.224 17.137 -8.815 92 H LEU 11 H LEU 11 1.596 13.312 -9.578 93 HA LEU 11 HA LEU 11 2.555 11.223 -11.396 94 HB2 LEU 11 HB2 LEU 11 2.226 11.426 -8.434 95 HB3 LEU 11 HB3 LEU 11 2.258 9.838 -9.201 96 HG LEU 11 HG LEU 11 4.458 11.904 -9.274 97 HD11 LEU 11 HD11 LEU 11 5.361 9.504 -8.187 98 HD12 LEU 11 HD12 LEU 11 3.793 9.788 -7.433 99 HD13 LEU 11 HD13 LEU 11 5.056 11.014 -7.330 100 HD21 LEU 11 HD21 LEU 11 4.490 10.732 -11.345 101 HD22 LEU 11 HD22 LEU 11 4.218 9.184 -10.545 102 HD23 LEU 11 HD23 LEU 11 5.750 10.031 -10.329 103 H PHE 12 H PHE 12 0.041 11.317 -8.872 104 HA PHE 12 HA PHE 12 -1.559 9.368 -10.179 105 HB2 PHE 12 HB2 PHE 12 -1.674 9.605 -7.774 106 HB3 PHE 12 HB3 PHE 12 -2.195 11.280 -7.925 107 HD1 PHE 12 HD1 PHE 12 -3.330 8.192 -9.671 108 HD2 PHE 12 HD2 PHE 12 -4.333 11.415 -7.078 109 HE1 PHE 12 HE1 PHE 12 -5.678 7.458 -9.671 110 HE2 PHE 12 HE2 PHE 12 -6.682 10.685 -7.073 111 HZ PHE 12 HZ PHE 12 -7.358 8.703 -8.369 112 H GLY 13 H GLY 13 -1.110 12.653 -10.746 113 HA2 GLY 13 HA2 GLY 13 -3.774 13.304 -11.599 114 HA3 GLY 13 HA3 GLY 13 -2.329 14.266 -11.867 115 H LYS 14 H LYS 14 -1.866 14.549 -13.933 116 HA LYS 14 HA LYS 14 -2.864 12.630 -15.899 117 HB2 LYS 14 HB2 LYS 14 -2.188 14.405 -17.548 118 HB3 LYS 14 HB3 LYS 14 -3.433 14.892 -16.405 119 HG2 LYS 14 HG2 LYS 14 -0.687 15.479 -15.556 120 HG3 LYS 14 HG3 LYS 14 -1.227 16.345 -16.996 121 HD2 LYS 14 HD2 LYS 14 -3.299 16.353 -15.007 122 HD3 LYS 14 HD3 LYS 14 -1.791 16.951 -14.311 123 HE2 LYS 14 HE2 LYS 14 -1.587 18.576 -16.109 124 HE3 LYS 14 HE3 LYS 14 -3.053 17.950 -16.863 125 HZ1 LYS 14 HZ1 LYS 14 -3.585 18.617 -14.178 126 HZ2 LYS 14 HZ2 LYS 14 -4.263 19.268 -15.585 127 HZ3 LYS 14 HZ3 LYS 14 -2.852 19.940 -14.937 128 H GLY 15 H GLY 15 -0.134 13.014 -14.131 129 HA2 GLY 15 HA2 GLY 15 1.654 12.167 -16.315 130 HA3 GLY 15 HA3 GLY 15 2.182 12.855 -14.786 131 H GLY 16 H GLY 16 0.829 9.988 -16.324 132 HA2 GLY 16 HA2 GLY 16 1.049 8.367 -13.960 133 HA3 GLY 16 HA3 GLY 16 0.684 7.802 -15.583 134 H1 LYS 1 H LYS 1 -0.515 8.212 4.156 135 HA LYS 1 HA LYS 1 -0.384 5.345 4.830 136 HB2 LYS 1 HB2 LYS 1 -1.670 7.158 6.309 137 HB3 LYS 1 HB3 LYS 1 -2.937 6.846 5.130 138 HG2 LYS 1 HG2 LYS 1 -3.392 5.375 6.876 139 HG3 LYS 1 HG3 LYS 1 -2.586 4.375 5.666 140 HD2 LYS 1 HD2 LYS 1 -1.443 3.729 7.542 141 HD3 LYS 1 HD3 LYS 1 -0.433 5.079 7.020 142 HE2 LYS 1 HE2 LYS 1 -0.695 5.789 9.136 143 HE3 LYS 1 HE3 LYS 1 -2.258 6.364 8.559 144 HZ1 LYS 1 HZ1 LYS 1 -1.958 3.628 9.623 145 HZ2 LYS 1 HZ2 LYS 1 -3.355 4.572 9.502 146 HZ3 LYS 1 HZ3 LYS 1 -2.186 4.939 10.668 147 H TYR 2 H TYR 2 -0.175 4.612 2.719 148 HA TYR 2 HA TYR 2 -2.446 5.187 0.932 149 HB2 TYR 2 HB2 TYR 2 -0.733 4.184 -0.806 150 HB3 TYR 2 HB3 TYR 2 -0.634 5.872 -0.317 151 HD1 TYR 2 HD1 TYR 2 1.221 6.682 0.978 152 HD2 TYR 2 HD2 TYR 2 0.891 2.543 0.047 153 HE1 TYR 2 HE1 TYR 2 3.548 6.340 1.697 154 HE2 TYR 2 HE2 TYR 2 3.216 2.189 0.765 155 HH TYR 2 HH TYR 2 5.400 4.055 0.908 156 H GLU 3 H GLU 3 -3.368 3.470 2.508 157 HA GLU 3 HA GLU 3 -2.871 0.810 1.341 158 HB2 GLU 3 HB2 GLU 3 -3.731 1.443 4.170 159 HB3 GLU 3 HB3 GLU 3 -3.513 -0.168 3.502 160 HG2 GLU 3 HG2 GLU 3 -1.173 0.131 3.303 161 HG3 GLU 3 HG3 GLU 3 -1.300 1.856 3.643 162 H ILE 4 H ILE 4 -4.963 3.268 1.305 163 HA ILE 4 HA ILE 4 -7.310 1.498 1.094 164 HB ILE 4 HB ILE 4 -7.613 3.012 2.960 165 HG12 ILE 4 HG12 ILE 4 -9.427 2.568 1.039 166 HG13 ILE 4 HG13 ILE 4 -9.771 3.560 2.452 167 HG21 ILE 4 HG21 ILE 4 -7.723 5.482 2.526 168 HG22 ILE 4 HG22 ILE 4 -6.109 4.778 2.435 169 HG23 ILE 4 HG23 ILE 4 -6.985 5.168 0.955 170 HD11 ILE 4 HD11 ILE 4 -10.409 4.428 0.113 171 HD12 ILE 4 HD12 ILE 4 -9.638 5.531 1.253 172 HD13 ILE 4 HD13 ILE 4 -8.692 4.798 -0.042 173 H THR 5 H THR 5 -5.439 4.073 -0.320 174 HA THR 5 HA THR 5 -7.245 4.136 -2.642 175 HB THR 5 HB THR 5 -5.348 6.131 -3.029 176 HG1 THR 5 HG1 THR 5 -4.957 7.054 -1.123 177 HG21 THR 5 HG21 THR 5 -8.020 6.542 -1.698 178 HG22 THR 5 HG22 THR 5 -7.856 6.118 -3.402 179 HG23 THR 5 HG23 THR 5 -7.173 7.628 -2.800 180 H THR 6 H THR 6 -4.447 2.708 -1.606 181 HA THR 6 HA THR 6 -3.425 2.470 -4.361 182 HB THR 6 HB THR 6 -2.030 3.346 -2.052 183 HG1 THR 6 HG1 THR 6 -1.465 4.139 -4.022 184 HG21 THR 6 HG21 THR 6 -1.695 0.971 -1.504 185 HG22 THR 6 HG22 THR 6 -0.181 1.760 -1.944 186 HG23 THR 6 HG23 THR 6 -0.997 0.710 -3.101 187 H ILE 7 H ILE 7 -4.485 0.875 -1.500 188 HA ILE 7 HA ILE 7 -3.341 -1.630 -1.689 189 HB ILE 7 HB ILE 7 -4.704 -1.172 0.197 190 HG12 ILE 7 HG12 ILE 7 -4.840 -3.516 -1.096 191 HG13 ILE 7 HG13 ILE 7 -5.696 -3.216 0.412 192 HG21 ILE 7 HG21 ILE 7 -6.947 -0.732 -1.766 193 HG22 ILE 7 HG22 ILE 7 -7.173 -0.855 -0.022 194 HG23 ILE 7 HG23 ILE 7 -6.207 0.458 -0.695 195 HD11 ILE 7 HD11 ILE 7 -7.742 -3.020 -0.644 196 HD12 ILE 7 HD12 ILE 7 -7.014 -2.669 -2.212 197 HD13 ILE 7 HD13 ILE 7 -6.949 -4.304 -1.555 198 H HIS 8 H HIS 8 -6.095 -0.318 -3.469 199 HA HIS 8 HA HIS 8 -6.551 -2.812 -4.863 200 HB2 HIS 8 HB2 HIS 8 -7.943 -0.258 -4.557 201 HB3 HIS 8 HB3 HIS 8 -8.005 -0.883 -6.202 202 HD1 HIS 8 HD1 HIS 8 -9.260 -3.136 -6.566 203 HD2 HIS 8 HD2 HIS 8 -9.437 -1.670 -2.682 204 HE1 HIS 8 HE1 HIS 8 -11.070 -4.460 -5.429 205 H ASN 9 H ASN 9 -4.563 -0.086 -5.237 206 HA ASN 9 HA ASN 9 -4.351 -0.326 -8.127 207 HB2 ASN 9 HB2 ASN 9 -3.124 1.518 -6.086 208 HB3 ASN 9 HB3 ASN 9 -2.544 1.473 -7.749 209 HD21 ASN 9 HD21 ASN 9 -5.389 2.009 -5.750 210 HD22 ASN 9 HD22 ASN 9 -6.196 3.058 -6.861 211 H LEU 10 H LEU 10 -2.962 -1.729 -5.393 212 HA LEU 10 HA LEU 10 -0.348 -2.191 -6.530 213 HB2 LEU 10 HB2 LEU 10 0.218 -3.179 -4.521 214 HB3 LEU 10 HB3 LEU 10 -0.977 -1.976 -4.041 215 HG LEU 10 HG LEU 10 -2.593 -4.089 -4.323 216 HD11 LEU 10 HD11 LEU 10 -1.002 -5.855 -3.007 217 HD12 LEU 10 HD12 LEU 10 0.126 -5.173 -4.179 218 HD13 LEU 10 HD13 LEU 10 -1.372 -5.923 -4.730 219 HD21 LEU 10 HD21 LEU 10 -1.170 -4.168 -1.766 220 HD22 LEU 10 HD22 LEU 10 -2.869 -3.843 -2.113 221 HD23 LEU 10 HD23 LEU 10 -1.674 -2.553 -2.266 222 H PHE 11 H PHE 11 -3.287 -3.400 -7.241 223 HA PHE 11 HA PHE 11 -2.802 -6.199 -7.333 224 HB2 PHE 11 HB2 PHE 11 -4.921 -4.365 -8.128 225 HB3 PHE 11 HB3 PHE 11 -4.699 -5.666 -9.293 226 HD1 PHE 11 HD1 PHE 11 -4.148 -5.886 -5.645 227 HD2 PHE 11 HD2 PHE 11 -6.662 -6.902 -8.926 228 HE1 PHE 11 HE1 PHE 11 -5.428 -7.402 -4.191 229 HE2 PHE 11 HE2 PHE 11 -7.947 -8.418 -7.476 230 HZ PHE 11 HZ PHE 11 -7.331 -8.671 -5.106 231 H ARG 12 H ARG 12 -0.597 -5.996 -8.267 232 HA ARG 12 HA ARG 12 -0.031 -5.095 -10.827 233 HB2 ARG 12 HB2 ARG 12 1.831 -6.801 -10.776 234 HB3 ARG 12 HB3 ARG 12 1.779 -5.693 -9.412 235 HG2 ARG 12 HG2 ARG 12 0.834 -7.375 -7.998 236 HG3 ARG 12 HG3 ARG 12 0.636 -8.476 -9.362 237 HD2 ARG 12 HD2 ARG 12 3.089 -8.500 -9.651 238 HD3 ARG 12 HD3 ARG 12 3.243 -7.476 -8.224 239 HE ARG 12 HE ARG 12 1.773 -9.875 -7.709 240 HH11 ARG 12 HH11 ARG 12 4.969 -8.527 -8.004 241 HH12 ARG 12 HH12 ARG 12 5.707 -9.719 -6.987 242 HH21 ARG 12 HH21 ARG 12 2.734 -11.450 -6.368 243 HH22 ARG 12 HH22 ARG 12 4.436 -11.382 -6.059 244 H LYS 13 H LYS 13 -1.689 -7.962 -9.796 245 HA LYS 13 HA LYS 13 -1.413 -9.475 -12.174 246 HB2 LYS 13 HB2 LYS 13 -3.419 -10.711 -11.310 247 HB3 LYS 13 HB3 LYS 13 -2.079 -10.604 -10.176 248 HG2 LYS 13 HG2 LYS 13 -3.364 -9.626 -8.663 249 HG3 LYS 13 HG3 LYS 13 -3.854 -8.380 -9.812 250 HD2 LYS 13 HD2 LYS 13 -5.892 -9.315 -9.437 251 HD3 LYS 13 HD3 LYS 13 -5.349 -10.386 -10.731 252 HE2 LYS 13 HE2 LYS 13 -4.843 -12.112 -9.252 253 HE3 LYS 13 HE3 LYS 13 -4.773 -11.029 -7.863 254 HZ1 LYS 13 HZ1 LYS 13 -7.345 -11.008 -9.091 255 HZ2 LYS 13 HZ2 LYS 13 -6.927 -11.315 -7.482 256 HZ3 LYS 13 HZ3 LYS 13 -6.905 -12.570 -8.615 257 H LEU 14 H LEU 14 -3.468 -6.839 -11.257 258 HA LEU 14 HA LEU 14 -5.652 -7.109 -12.896 259 HB2 LEU 14 HB2 LEU 14 -5.476 -5.283 -11.357 260 HB3 LEU 14 HB3 LEU 14 -4.076 -4.636 -12.211 261 HG LEU 14 HG LEU 14 -5.569 -4.176 -14.159 262 HD11 LEU 14 HD11 LEU 14 -7.984 -4.285 -12.509 263 HD12 LEU 14 HD12 LEU 14 -7.319 -5.862 -12.935 264 HD13 LEU 14 HD13 LEU 14 -7.742 -4.711 -14.203 265 HD21 LEU 14 HD21 LEU 14 -5.020 -2.347 -12.760 266 HD22 LEU 14 HD22 LEU 14 -6.128 -2.887 -11.497 267 HD23 LEU 14 HD23 LEU 14 -6.763 -2.265 -13.021 268 H THR 15 H THR 15 -3.042 -4.904 -13.858 269 HA THR 15 HA THR 15 -3.343 -5.898 -16.618 270 HB THR 15 HB THR 15 -2.359 -3.508 -17.137 271 HG1 THR 15 HG1 THR 15 -3.765 -3.048 -14.699 272 HG21 THR 15 HG21 THR 15 -4.901 -4.657 -17.184 273 HG22 THR 15 HG22 THR 15 -4.382 -3.198 -18.029 274 HG23 THR 15 HG23 THR 15 -5.130 -3.077 -16.436 275 H HIS 16 H HIS 16 -0.954 -3.539 -15.804 276 HA HIS 16 HA HIS 16 1.147 -5.598 -15.943 277 HB2 HIS 16 HB2 HIS 16 1.065 -4.427 -18.071 278 HB3 HIS 16 HB3 HIS 16 1.140 -2.871 -17.251 279 HD1 HIS 16 HD1 HIS 16 3.309 -2.309 -18.588 280 HD2 HIS 16 HD2 HIS 16 3.637 -5.584 -16.054 281 HE1 HIS 16 HE1 HIS 16 5.774 -2.771 -18.403 282 H ARG 17 H ARG 17 1.726 -2.165 -15.686 283 HA ARG 17 HA ARG 17 2.483 -2.526 -12.863 284 HB2 ARG 17 HB2 ARG 17 3.988 -1.131 -15.069 285 HB3 ARG 17 HB3 ARG 17 4.306 -0.808 -13.369 286 HG2 ARG 17 HG2 ARG 17 5.135 -2.950 -12.990 287 HG3 ARG 17 HG3 ARG 17 4.389 -3.597 -14.453 288 HD2 ARG 17 HD2 ARG 17 5.918 -2.179 -15.797 289 HD3 ARG 17 HD3 ARG 17 6.710 -1.678 -14.303 290 HE ARG 17 HE ARG 17 7.086 -4.136 -15.702 291 HH11 ARG 17 HH11 ARG 17 7.099 -2.672 -12.544 292 HH12 ARG 17 HH12 ARG 17 8.195 -3.830 -11.868 293 HH21 ARG 17 HH21 ARG 17 8.530 -5.667 -14.824 294 HH22 ARG 17 HH22 ARG 17 9.010 -5.533 -13.166 295 H LEU 18 H LEU 18 0.836 -1.491 -11.866 296 HA LEU 18 HA LEU 18 0.332 1.302 -12.660 297 HB2 LEU 18 HB2 LEU 18 -1.934 0.914 -11.546 298 HB3 LEU 18 HB3 LEU 18 -1.663 0.209 -13.138 299 HG LEU 18 HG LEU 18 -1.059 -1.570 -10.876 300 HD11 LEU 18 HD11 LEU 18 -3.319 -2.025 -10.279 301 HD12 LEU 18 HD12 LEU 18 -3.929 -0.894 -11.485 302 HD13 LEU 18 HD13 LEU 18 -3.055 -0.293 -10.076 303 HD21 LEU 18 HD21 LEU 18 -2.943 -2.170 -13.100 304 HD22 LEU 18 HD22 LEU 18 -1.740 -3.203 -12.327 305 HD23 LEU 18 HD23 LEU 18 -1.232 -1.963 -13.475 306 H PHE 19 H PHE 19 1.996 -0.329 -10.520 307 HA PHE 19 HA PHE 19 1.270 1.438 -8.276 308 HB2 PHE 19 HB2 PHE 19 0.850 -1.044 -7.925 309 HB3 PHE 19 HB3 PHE 19 2.597 -1.257 -7.985 310 HD1 PHE 19 HD1 PHE 19 0.591 1.445 -6.407 311 HD2 PHE 19 HD2 PHE 19 3.208 -1.863 -5.835 312 HE1 PHE 19 HE1 PHE 19 0.733 1.976 -4.008 313 HE2 PHE 19 HE2 PHE 19 3.352 -1.339 -3.436 314 HZ PHE 19 HZ PHE 19 2.113 0.582 -2.520 315 H ARG 20 H ARG 20 3.839 -0.057 -10.138 316 HA ARG 20 HA ARG 20 5.824 1.590 -8.734 317 HB2 ARG 20 HB2 ARG 20 6.037 -0.909 -10.393 318 HB3 ARG 20 HB3 ARG 20 7.444 0.103 -10.092 319 HG2 ARG 20 HG2 ARG 20 7.711 -1.242 -8.318 320 HG3 ARG 20 HG3 ARG 20 6.509 -0.182 -7.579 321 HD2 ARG 20 HD2 ARG 20 5.460 -2.142 -7.169 322 HD3 ARG 20 HD3 ARG 20 4.877 -1.913 -8.816 323 HE ARG 20 HE ARG 20 6.115 -3.722 -9.462 324 HH11 ARG 20 HH11 ARG 20 7.272 -2.604 -6.374 325 HH12 ARG 20 HH12 ARG 20 8.350 -3.941 -6.147 326 HH21 ARG 20 HH21 ARG 20 7.531 -5.488 -9.174 327 HH22 ARG 20 HH22 ARG 20 8.497 -5.581 -7.740 328 H ARG 21 H ARG 21 4.685 0.722 -11.976 329 HA ARG 21 HA ARG 21 6.387 2.645 -13.270 330 HB2 ARG 21 HB2 ARG 21 5.752 0.606 -14.440 331 HB3 ARG 21 HB3 ARG 21 4.051 1.032 -14.309 332 HG2 ARG 21 HG2 ARG 21 5.735 3.051 -15.613 333 HG3 ARG 21 HG3 ARG 21 5.596 1.517 -16.473 334 HD2 ARG 21 HD2 ARG 21 3.466 1.905 -17.040 335 HD3 ARG 21 HD3 ARG 21 3.053 2.482 -15.426 336 HE ARG 21 HE ARG 21 4.550 4.480 -16.620 337 HH11 ARG 21 HH11 ARG 21 1.526 2.849 -17.185 338 HH12 ARG 21 HH12 ARG 21 0.784 4.214 -17.953 339 HH21 ARG 21 HH21 ARG 21 3.584 6.283 -17.629 340 HH22 ARG 21 HH22 ARG 21 1.956 6.166 -18.206 341 H ASN 22 H ASN 22 3.586 2.905 -11.500 342 HA ASN 22 HA ASN 22 2.828 5.392 -12.886 343 HB2 ASN 22 HB2 ASN 22 1.127 3.493 -12.919 344 HB3 ASN 22 HB3 ASN 22 0.963 3.740 -11.184 345 HD21 ASN 22 HD21 ASN 22 0.162 4.874 -14.309 346 HD22 ASN 22 HD22 ASN 22 -0.837 6.197 -13.820 347 H PHE 23 H PHE 23 2.374 3.865 -9.691 348 HA PHE 23 HA PHE 23 2.717 6.474 -8.431 349 HB2 PHE 23 HB2 PHE 23 1.966 3.825 -7.180 350 HB3 PHE 23 HB3 PHE 23 1.896 5.403 -6.402 351 HD1 PHE 23 HD1 PHE 23 0.439 7.183 -7.730 352 HD2 PHE 23 HD2 PHE 23 0.019 2.958 -8.020 353 HE1 PHE 23 HE1 PHE 23 -1.875 7.470 -8.517 354 HE2 PHE 23 HE2 PHE 23 -2.295 3.239 -8.808 355 HZ PHE 23 HZ PHE 23 -3.244 5.496 -9.059 356 H GLY 24 H GLY 24 4.853 4.515 -9.587 357 HA2 GLY 24 HA2 GLY 24 6.570 4.486 -7.183 358 HA3 GLY 24 HA3 GLY 24 6.715 3.340 -8.507 359 H TYR 25 H TYR 25 6.118 5.941 -10.197 360 HA TYR 25 HA TYR 25 8.747 6.328 -11.081 361 HB2 TYR 25 HB2 TYR 25 6.117 7.468 -11.644 362 HB3 TYR 25 HB3 TYR 25 7.418 8.638 -11.824 363 HD1 TYR 25 HD1 TYR 25 6.756 5.064 -12.723 364 HD2 TYR 25 HD2 TYR 25 8.319 8.833 -13.932 365 HE1 TYR 25 HE1 TYR 25 7.279 4.131 -14.938 366 HE2 TYR 25 HE2 TYR 25 8.846 7.910 -16.150 367 HH TYR 25 HH TYR 25 7.579 5.155 -17.343 368 H THR 26 H THR 26 7.065 7.652 -8.409 369 HA THR 26 HA THR 26 8.189 10.142 -8.051 370 HB THR 26 HB THR 26 6.454 9.036 -6.579 371 HG1 THR 26 HG1 THR 26 6.956 10.442 -5.003 372 HG21 THR 26 HG21 THR 26 7.835 6.973 -6.179 373 HG22 THR 26 HG22 THR 26 7.156 7.703 -4.724 374 HG23 THR 26 HG23 THR 26 8.857 7.943 -5.120 375 H LEU 27 H LEU 27 9.626 6.988 -7.526 376 HA LEU 27 HA LEU 27 12.139 8.311 -6.742 377 HB2 LEU 27 HB2 LEU 27 12.747 6.359 -5.523 378 HB3 LEU 27 HB3 LEU 27 11.123 6.828 -5.027 379 HG LEU 27 HG LEU 27 10.691 4.981 -7.046 380 HD11 LEU 27 HD11 LEU 27 12.030 3.037 -6.376 381 HD12 LEU 27 HD12 LEU 27 12.971 4.066 -5.297 382 HD13 LEU 27 HD13 LEU 27 13.027 4.331 -7.040 383 HD21 LEU 27 HD21 LEU 27 10.350 3.480 -4.875 384 HD22 LEU 27 HD22 LEU 27 9.251 4.794 -5.299 385 HD23 LEU 27 HD23 LEU 27 10.509 5.051 -4.088 386 H ARG 28 H ARG 28 10.594 6.057 -8.892 387 HA ARG 28 HA ARG 28 13.000 4.993 -10.012 388 HB2 ARG 28 HB2 ARG 28 10.579 4.020 -10.035 389 HB3 ARG 28 HB3 ARG 28 10.376 5.028 -11.461 390 HG2 ARG 28 HG2 ARG 28 10.966 2.853 -12.199 391 HG3 ARG 28 HG3 ARG 28 12.371 3.891 -12.447 392 HD2 ARG 28 HD2 ARG 28 13.623 2.621 -11.118 393 HD3 ARG 28 HD3 ARG 28 12.432 2.712 -9.822 394 HE ARG 28 HE ARG 28 11.414 0.893 -11.600 395 HH11 ARG 28 HH11 ARG 28 14.359 1.212 -9.772 396 HH12 ARG 28 HH12 ARG 28 14.608 -0.496 -9.628 397 HH21 ARG 28 HH21 ARG 28 11.730 -1.359 -11.418 398 HH22 ARG 28 HH22 ARG 28 13.113 -1.958 -10.566 Start of MODEL 13 1 H1 VAL 1 H VAL 1 -5.873 -2.314 -15.831 2 HA VAL 1 HA VAL 1 -6.519 -0.466 -18.035 3 HB VAL 1 HB VAL 1 -7.575 -0.257 -15.213 4 HG11 VAL 1 HG11 VAL 1 -8.006 1.386 -17.697 5 HG12 VAL 1 HG12 VAL 1 -9.065 1.469 -16.288 6 HG13 VAL 1 HG13 VAL 1 -7.365 1.914 -16.142 7 HG21 VAL 1 HG21 VAL 1 -9.776 -0.581 -16.703 8 HG22 VAL 1 HG22 VAL 1 -8.645 -1.550 -17.648 9 HG23 VAL 1 HG23 VAL 1 -8.922 -1.926 -15.947 10 H ALA 2 H ALA 2 -4.184 -0.139 -18.093 11 HA ALA 2 HA ALA 2 -3.182 1.506 -15.866 12 HB1 ALA 2 1HB ALA 2 -0.920 1.025 -16.977 13 HB2 ALA 2 HB2 ALA 2 -1.711 -0.290 -16.107 14 HB3 ALA 2 HB3 ALA 2 -1.780 -0.232 -17.868 15 H ARG 3 H ARG 3 -4.639 3.152 -17.018 16 HA ARG 3 HA ARG 3 -3.053 4.530 -19.087 17 HB2 ARG 3 HB2 ARG 3 -5.901 5.233 -18.934 18 HB3 ARG 3 HB3 ARG 3 -4.892 4.914 -20.338 19 HG2 ARG 3 HG2 ARG 3 -5.125 2.510 -19.960 20 HG3 ARG 3 HG3 ARG 3 -6.145 2.836 -18.557 21 HD2 ARG 3 HD2 ARG 3 -6.879 4.032 -21.185 22 HD3 ARG 3 HD3 ARG 3 -7.194 2.320 -20.913 23 HE ARG 3 HE ARG 3 -8.167 3.892 -18.760 24 HH11 ARG 3 HH11 ARG 3 -8.861 2.966 -22.042 25 HH12 ARG 3 HH12 ARG 3 -10.572 3.181 -21.879 26 HH21 ARG 3 HH21 ARG 3 -10.418 4.179 -18.532 27 HH22 ARG 3 HH22 ARG 3 -11.457 3.873 -19.883 28 H GLY 4 H GLY 4 -4.289 4.649 -15.955 29 HA2 GLY 4 HA2 GLY 4 -4.645 7.505 -15.789 30 HA3 GLY 4 HA3 GLY 4 -4.656 6.371 -14.447 31 H TRP 5 H TRP 5 -1.949 5.470 -15.805 32 HA TRP 5 HA TRP 5 -0.320 7.580 -14.548 33 HB2 TRP 5 HB2 TRP 5 0.833 4.871 -14.563 34 HB3 TRP 5 HB3 TRP 5 0.817 6.085 -13.287 35 HD1 TRP 5 HD1 TRP 5 -1.845 6.335 -12.148 36 HE1 TRP 5 HE1 TRP 5 -3.312 4.384 -11.331 37 HE3 TRP 5 HE3 TRP 5 0.341 2.526 -14.764 38 HZ2 TRP 5 HZ2 TRP 5 -3.514 1.598 -11.741 39 HZ3 TRP 5 HZ3 TRP 5 -0.548 0.248 -14.496 40 HH2 TRP 5 HH2 TRP 5 -2.435 -0.204 -13.015 41 H LYS 6 H LYS 6 -0.896 5.600 -17.268 42 HA LYS 6 HA LYS 6 1.734 5.788 -18.407 43 HB2 LYS 6 HB2 LYS 6 -0.589 4.299 -18.922 44 HB3 LYS 6 HB3 LYS 6 -0.350 5.297 -20.351 45 HG2 LYS 6 HG2 LYS 6 1.444 3.202 -19.196 46 HG3 LYS 6 HG3 LYS 6 0.813 3.351 -20.838 47 HD2 LYS 6 HD2 LYS 6 2.215 5.640 -20.673 48 HD3 LYS 6 HD3 LYS 6 3.159 4.631 -19.574 49 HE2 LYS 6 HE2 LYS 6 4.163 4.263 -21.639 50 HE3 LYS 6 HE3 LYS 6 3.081 2.883 -21.464 51 HZ1 LYS 6 HZ1 LYS 6 1.760 3.591 -23.131 52 HZ2 LYS 6 HZ2 LYS 6 3.167 4.376 -23.642 53 HZ3 LYS 6 HZ3 LYS 6 1.985 5.232 -22.787 54 H ARG 7 H ARG 7 -1.197 7.667 -18.495 55 HA ARG 7 HA ARG 7 0.077 9.509 -20.412 56 HB2 ARG 7 HB2 ARG 7 -2.885 9.263 -19.883 57 HB3 ARG 7 HB3 ARG 7 -2.101 10.178 -21.163 58 HG2 ARG 7 HG2 ARG 7 -2.694 8.369 -22.376 59 HG3 ARG 7 HG3 ARG 7 -1.160 7.757 -21.758 60 HD2 ARG 7 HD2 ARG 7 -2.379 6.680 -19.899 61 HD3 ARG 7 HD3 ARG 7 -3.897 7.241 -20.600 62 HE ARG 7 HE ARG 7 -2.302 5.017 -21.472 63 HH11 ARG 7 HH11 ARG 7 -4.653 7.398 -22.433 64 HH12 ARG 7 HH12 ARG 7 -5.269 6.451 -23.746 65 HH21 ARG 7 HH21 ARG 7 -3.104 3.760 -23.197 66 HH22 ARG 7 HH22 ARG 7 -4.388 4.381 -24.179 67 H LYS 8 H LYS 8 -1.387 9.123 -17.303 68 HA LYS 8 HA LYS 8 -1.148 12.019 -16.815 69 HB2 LYS 8 HB2 LYS 8 -2.614 10.342 -14.867 70 HB3 LYS 8 HB3 LYS 8 -2.978 11.955 -15.464 71 HG2 LYS 8 HG2 LYS 8 -3.433 9.397 -16.986 72 HG3 LYS 8 HG3 LYS 8 -4.670 10.309 -16.118 73 HD2 LYS 8 HD2 LYS 8 -3.193 12.016 -17.918 74 HD3 LYS 8 HD3 LYS 8 -3.883 10.636 -18.776 75 HE2 LYS 8 HE2 LYS 8 -5.707 11.885 -16.859 76 HE3 LYS 8 HE3 LYS 8 -5.206 12.954 -18.169 77 HZ1 LYS 8 HZ1 LYS 8 -6.764 10.473 -18.286 78 HZ2 LYS 8 HZ2 LYS 8 -5.786 10.868 -19.608 79 HZ3 LYS 8 HZ3 LYS 8 -7.001 11.933 -19.107 80 H CYS 9 H CYS 9 1.170 10.551 -16.768 81 HA CYS 9 HA CYS 9 1.804 9.594 -14.155 82 HB2 CYS 9 HB2 CYS 9 3.225 8.640 -15.678 83 HB3 CYS 9 HB3 CYS 9 3.291 10.084 -16.682 84 HG CYS 9 HG CYS 9 5.668 9.027 -14.973 85 HA PRO 10 HA PRO 10 4.176 13.778 -13.725 86 HB2 PRO 10 HB2 PRO 10 3.736 15.666 -15.625 87 HB3 PRO 10 HB3 PRO 10 5.014 14.451 -15.756 88 HG2 PRO 10 HG2 PRO 10 2.297 14.484 -17.012 89 HG3 PRO 10 HG3 PRO 10 3.854 14.035 -17.728 90 HD2 PRO 10 HD2 PRO 10 2.064 12.197 -16.861 91 HD3 PRO 10 HD3 PRO 10 3.818 11.928 -16.793 92 H LEU 11 H LEU 11 0.905 13.497 -14.733 93 HA LEU 11 HA LEU 11 0.112 15.968 -13.388 94 HB2 LEU 11 HB2 LEU 11 -1.208 14.064 -15.259 95 HB3 LEU 11 HB3 LEU 11 -2.218 15.032 -14.187 96 HG LEU 11 HG LEU 11 -0.176 16.445 -15.824 97 HD11 LEU 11 HD11 LEU 11 -2.812 15.561 -16.979 98 HD12 LEU 11 HD12 LEU 11 -1.269 14.792 -17.349 99 HD13 LEU 11 HD13 LEU 11 -1.537 16.481 -17.778 100 HD21 LEU 11 HD21 LEU 11 -1.814 17.438 -14.101 101 HD22 LEU 11 HD22 LEU 11 -3.039 17.194 -15.346 102 HD23 LEU 11 HD23 LEU 11 -1.652 18.236 -15.666 103 H PHE 12 H PHE 12 -1.487 12.800 -13.469 104 HA PHE 12 HA PHE 12 -2.620 13.002 -10.934 105 HB2 PHE 12 HB2 PHE 12 -2.444 11.025 -13.001 106 HB3 PHE 12 HB3 PHE 12 -2.158 10.253 -11.445 107 HD1 PHE 12 HD1 PHE 12 -4.591 10.584 -13.677 108 HD2 PHE 12 HD2 PHE 12 -3.877 11.603 -9.607 109 HE1 PHE 12 HE1 PHE 12 -7.014 10.558 -13.250 110 HE2 PHE 12 HE2 PHE 12 -6.299 11.577 -9.172 111 HZ PHE 12 HZ PHE 12 -7.870 11.053 -10.995 112 H GLY 13 H GLY 13 0.589 12.140 -11.884 113 HA2 GLY 13 HA2 GLY 13 1.308 10.731 -9.504 114 HA3 GLY 13 HA3 GLY 13 2.416 11.386 -10.699 115 H LYS 14 H LYS 14 3.046 13.607 -10.531 116 HA LYS 14 HA LYS 14 2.969 14.555 -7.755 117 HB2 LYS 14 HB2 LYS 14 4.976 15.789 -8.248 118 HB3 LYS 14 HB3 LYS 14 5.189 14.136 -8.809 119 HG2 LYS 14 HG2 LYS 14 4.296 15.196 -11.072 120 HG3 LYS 14 HG3 LYS 14 4.980 16.654 -10.351 121 HD2 LYS 14 HD2 LYS 14 6.938 14.779 -9.905 122 HD3 LYS 14 HD3 LYS 14 6.313 14.319 -11.491 123 HE2 LYS 14 HE2 LYS 14 6.754 16.489 -12.374 124 HE3 LYS 14 HE3 LYS 14 7.120 17.131 -10.774 125 HZ1 LYS 14 HZ1 LYS 14 9.065 16.563 -12.279 126 HZ2 LYS 14 HZ2 LYS 14 8.708 14.940 -11.963 127 HZ3 LYS 14 HZ3 LYS 14 9.128 15.976 -10.693 128 H GLY 15 H GLY 15 1.846 15.272 -10.910 129 HA2 GLY 15 HA2 GLY 15 1.619 18.072 -10.778 130 HA3 GLY 15 HA3 GLY 15 0.622 17.014 -11.766 131 H GLY 16 H GLY 16 -0.156 15.595 -9.168 132 HA2 GLY 16 HA2 GLY 16 -2.447 17.312 -8.647 133 HA3 GLY 16 HA3 GLY 16 -2.238 15.655 -8.100 134 H1 LYS 1 H LYS 1 -9.798 12.380 -10.225 135 HA LYS 1 HA LYS 1 -9.026 11.612 -7.508 136 HB2 LYS 1 HB2 LYS 1 -11.469 11.464 -9.091 137 HB3 LYS 1 HB3 LYS 1 -11.093 9.938 -8.302 138 HG2 LYS 1 HG2 LYS 1 -11.028 11.025 -6.146 139 HG3 LYS 1 HG3 LYS 1 -11.288 12.598 -6.903 140 HD2 LYS 1 HD2 LYS 1 -13.466 11.766 -7.760 141 HD3 LYS 1 HD3 LYS 1 -13.206 10.269 -6.862 142 HE2 LYS 1 HE2 LYS 1 -12.969 12.818 -5.365 143 HE3 LYS 1 HE3 LYS 1 -14.585 12.324 -5.869 144 HZ1 LYS 1 HZ1 LYS 1 -14.540 10.482 -4.538 145 HZ2 LYS 1 HZ2 LYS 1 -13.616 11.544 -3.600 146 HZ3 LYS 1 HZ3 LYS 1 -12.853 10.363 -4.540 147 H TYR 2 H TYR 2 -7.530 10.097 -7.277 148 HA TYR 2 HA TYR 2 -7.060 8.191 -9.446 149 HB2 TYR 2 HB2 TYR 2 -5.023 7.617 -7.973 150 HB3 TYR 2 HB3 TYR 2 -5.035 9.176 -8.789 151 HD1 TYR 2 HD1 TYR 2 -5.348 7.474 -5.549 152 HD2 TYR 2 HD2 TYR 2 -5.203 11.232 -7.539 153 HE1 TYR 2 HE1 TYR 2 -5.009 8.598 -3.388 154 HE2 TYR 2 HE2 TYR 2 -4.861 12.366 -5.384 155 HH TYR 2 HH TYR 2 -5.575 11.440 -2.684 156 H GLU 3 H GLU 3 -9.382 7.580 -8.301 157 HA GLU 3 HA GLU 3 -8.758 5.297 -6.544 158 HB2 GLU 3 HB2 GLU 3 -10.941 7.313 -6.445 159 HB3 GLU 3 HB3 GLU 3 -11.354 5.659 -6.013 160 HG2 GLU 3 HG2 GLU 3 -9.723 5.646 -4.260 161 HG3 GLU 3 HG3 GLU 3 -9.108 7.219 -4.760 162 H ILE 4 H ILE 4 -9.425 5.995 -9.606 163 HA ILE 4 HA ILE 4 -11.121 3.611 -9.980 164 HB ILE 4 HB ILE 4 -10.964 6.006 -11.814 165 HG12 ILE 4 HG12 ILE 4 -13.567 5.727 -10.831 166 HG13 ILE 4 HG13 ILE 4 -12.532 5.505 -9.425 167 HG21 ILE 4 HG21 ILE 4 -11.440 3.938 -12.993 168 HG22 ILE 4 HG22 ILE 4 -12.739 3.569 -11.860 169 HG23 ILE 4 HG23 ILE 4 -12.880 4.956 -12.939 170 HD11 ILE 4 HD11 ILE 4 -12.832 7.894 -11.188 171 HD12 ILE 4 HD12 ILE 4 -12.927 7.776 -9.431 172 HD13 ILE 4 HD13 ILE 4 -11.365 7.656 -10.239 173 H THR 5 H THR 5 -8.442 5.528 -11.255 174 HA THR 5 HA THR 5 -7.719 3.361 -13.083 175 HB THR 5 HB THR 5 -5.884 5.610 -13.069 176 HG1 THR 5 HG1 THR 5 -7.622 6.990 -14.077 177 HG21 THR 5 HG21 THR 5 -7.683 4.297 -15.097 178 HG22 THR 5 HG22 THR 5 -5.933 4.150 -14.936 179 HG23 THR 5 HG23 THR 5 -6.643 5.666 -15.489 180 H THR 6 H THR 6 -7.146 4.163 -9.944 181 HA THR 6 HA THR 6 -4.465 2.936 -9.987 182 HB THR 6 HB THR 6 -5.251 5.414 -8.849 183 HG1 THR 6 HG1 THR 6 -2.859 3.882 -8.580 184 HG21 THR 6 HG21 THR 6 -6.004 4.118 -6.892 185 HG22 THR 6 HG22 THR 6 -4.608 5.129 -6.518 186 HG23 THR 6 HG23 THR 6 -4.400 3.396 -6.768 187 H ILE 7 H ILE 7 -7.677 2.808 -8.796 188 HA ILE 7 HA ILE 7 -7.302 1.307 -6.447 189 HB ILE 7 HB ILE 7 -9.435 2.322 -6.845 190 HG12 ILE 7 HG12 ILE 7 -9.151 -0.152 -5.858 191 HG13 ILE 7 HG13 ILE 7 -10.716 0.643 -5.978 192 HG21 ILE 7 HG21 ILE 7 -9.497 2.349 -9.239 193 HG22 ILE 7 HG22 ILE 7 -9.562 0.588 -9.305 194 HG23 ILE 7 HG23 ILE 7 -10.929 1.498 -8.660 195 HD11 ILE 7 HD11 ILE 7 -11.362 -0.629 -7.797 196 HD12 ILE 7 HD12 ILE 7 -9.703 -1.063 -8.211 197 HD13 ILE 7 HD13 ILE 7 -10.476 -1.781 -6.798 198 H HIS 8 H HIS 8 -7.646 0.355 -9.826 199 HA HIS 8 HA HIS 8 -7.881 -2.420 -9.410 200 HB2 HIS 8 HB2 HIS 8 -7.259 -0.644 -11.693 201 HB3 HIS 8 HB3 HIS 8 -6.684 -2.302 -11.836 202 HD1 HIS 8 HD1 HIS 8 -8.631 -4.178 -11.494 203 HD2 HIS 8 HD2 HIS 8 -9.871 -0.308 -12.357 204 HE1 HIS 8 HE1 HIS 8 -11.007 -4.395 -12.292 205 H ASN 9 H ASN 9 -5.235 -0.310 -9.037 206 HA ASN 9 HA ASN 9 -3.125 -2.128 -9.611 207 HB2 ASN 9 HB2 ASN 9 -1.815 -0.339 -9.246 208 HB3 ASN 9 HB3 ASN 9 -3.304 0.575 -9.027 209 HD21 ASN 9 HD21 ASN 9 -0.472 -0.584 -7.577 210 HD22 ASN 9 HD22 ASN 9 -0.794 -0.053 -5.964 211 H LEU 10 H LEU 10 -5.374 -2.022 -7.129 212 HA LEU 10 HA LEU 10 -3.729 -2.957 -4.982 213 HB2 LEU 10 HB2 LEU 10 -5.654 -3.033 -3.713 214 HB3 LEU 10 HB3 LEU 10 -6.012 -1.763 -4.883 215 HG LEU 10 HG LEU 10 -7.104 -3.817 -6.180 216 HD11 LEU 10 HD11 LEU 10 -6.590 -4.827 -3.518 217 HD12 LEU 10 HD12 LEU 10 -7.143 -5.675 -4.961 218 HD13 LEU 10 HD13 LEU 10 -8.308 -4.862 -3.916 219 HD21 LEU 10 HD21 LEU 10 -8.014 -1.600 -4.920 220 HD22 LEU 10 HD22 LEU 10 -8.827 -2.864 -3.998 221 HD23 LEU 10 HD23 LEU 10 -9.045 -2.768 -5.746 222 H PHE 11 H PHE 11 -4.732 -4.393 -7.791 223 HA PHE 11 HA PHE 11 -5.379 -7.006 -6.842 224 HB2 PHE 11 HB2 PHE 11 -5.106 -5.670 -9.419 225 HB3 PHE 11 HB3 PHE 11 -4.485 -7.317 -9.449 226 HD1 PHE 11 HD1 PHE 11 -7.284 -6.099 -7.372 227 HD2 PHE 11 HD2 PHE 11 -6.120 -8.336 -10.799 228 HE1 PHE 11 HE1 PHE 11 -9.580 -6.957 -7.587 229 HE2 PHE 11 HE2 PHE 11 -8.414 -9.197 -11.022 230 HZ PHE 11 HZ PHE 11 -10.148 -8.506 -9.414 231 H ARG 12 H ARG 12 -3.498 -7.067 -5.324 232 HA ARG 12 HA ARG 12 -0.842 -7.189 -6.071 233 HB2 ARG 12 HB2 ARG 12 -0.469 -8.513 -4.056 234 HB3 ARG 12 HB3 ARG 12 -1.607 -7.211 -3.737 235 HG2 ARG 12 HG2 ARG 12 -2.786 -8.835 -2.737 236 HG3 ARG 12 HG3 ARG 12 -3.314 -9.195 -4.381 237 HD2 ARG 12 HD2 ARG 12 -2.568 -11.265 -3.964 238 HD3 ARG 12 HD3 ARG 12 -0.964 -10.577 -4.222 239 HE ARG 12 HE ARG 12 -1.850 -10.305 -1.519 240 HH11 ARG 12 HH11 ARG 12 -0.412 -12.498 -3.807 241 HH12 ARG 12 HH12 ARG 12 0.392 -13.440 -2.596 242 HH21 ARG 12 HH21 ARG 12 -0.797 -11.538 0.086 243 HH22 ARG 12 HH22 ARG 12 0.172 -12.895 -0.382 244 H LYS 13 H LYS 13 -3.353 -9.600 -6.416 245 HA LYS 13 HA LYS 13 -1.739 -11.838 -6.947 246 HB2 LYS 13 HB2 LYS 13 -4.392 -11.471 -6.652 247 HB3 LYS 13 HB3 LYS 13 -4.311 -11.602 -8.404 248 HG2 LYS 13 HG2 LYS 13 -2.857 -13.726 -7.832 249 HG3 LYS 13 HG3 LYS 13 -3.761 -13.641 -6.319 250 HD2 LYS 13 HD2 LYS 13 -5.763 -13.305 -8.095 251 HD3 LYS 13 HD3 LYS 13 -4.672 -14.319 -9.042 252 HE2 LYS 13 HE2 LYS 13 -4.908 -15.290 -6.334 253 HE3 LYS 13 HE3 LYS 13 -6.493 -15.146 -7.093 254 HZ1 LYS 13 HZ1 LYS 13 -5.345 -16.346 -9.048 255 HZ2 LYS 13 HZ2 LYS 13 -5.830 -17.250 -7.703 256 HZ3 LYS 13 HZ3 LYS 13 -4.205 -16.818 -7.890 257 H LEU 14 H LEU 14 -2.838 -9.202 -8.978 258 HA LEU 14 HA LEU 14 -1.572 -10.443 -11.316 259 HB2 LEU 14 HB2 LEU 14 -3.679 -8.389 -10.924 260 HB3 LEU 14 HB3 LEU 14 -2.661 -8.255 -12.356 261 HG LEU 14 HG LEU 14 -4.367 -10.635 -11.626 262 HD11 LEU 14 HD11 LEU 14 -6.046 -9.537 -12.566 263 HD12 LEU 14 HD12 LEU 14 -5.132 -9.484 -14.073 264 HD13 LEU 14 HD13 LEU 14 -4.998 -8.161 -12.915 265 HD21 LEU 14 HD21 LEU 14 -2.429 -10.087 -13.837 266 HD22 LEU 14 HD22 LEU 14 -3.814 -11.145 -14.110 267 HD23 LEU 14 HD23 LEU 14 -2.633 -11.541 -12.860 268 H THR 15 H THR 15 -1.951 -7.027 -10.441 269 HA THR 15 HA THR 15 0.964 -6.710 -10.756 270 HB THR 15 HB THR 15 0.001 -4.211 -11.280 271 HG1 THR 15 HG1 THR 15 -1.867 -6.126 -12.242 272 HG21 THR 15 HG21 THR 15 0.843 -6.508 -12.983 273 HG22 THR 15 HG22 THR 15 1.631 -4.953 -12.719 274 HG23 THR 15 HG23 THR 15 0.219 -5.059 -13.769 275 H HIS 16 H HIS 16 1.942 -6.114 -8.947 276 HA HIS 16 HA HIS 16 0.435 -4.495 -6.998 277 HB2 HIS 16 HB2 HIS 16 1.247 -6.994 -6.499 278 HB3 HIS 16 HB3 HIS 16 2.734 -6.147 -6.081 279 HD1 HIS 16 HD1 HIS 16 2.616 -6.454 -3.577 280 HD2 HIS 16 HD2 HIS 16 -0.826 -4.752 -5.163 281 HE1 HIS 16 HE1 HIS 16 1.261 -5.708 -1.595 282 H ARG 17 H ARG 17 3.158 -4.702 -9.011 283 HA ARG 17 HA ARG 17 4.389 -2.399 -7.643 284 HB2 ARG 17 HB2 ARG 17 6.522 -3.174 -8.824 285 HB3 ARG 17 HB3 ARG 17 5.969 -4.129 -7.454 286 HG2 ARG 17 HG2 ARG 17 5.534 -5.941 -8.719 287 HG3 ARG 17 HG3 ARG 17 4.980 -4.983 -10.093 288 HD2 ARG 17 HD2 ARG 17 6.941 -5.285 -11.088 289 HD3 ARG 17 HD3 ARG 17 7.743 -4.470 -9.746 290 HE ARG 17 HE ARG 17 8.427 -6.510 -8.956 291 HH11 ARG 17 HH11 ARG 17 5.944 -6.976 -11.351 292 HH12 ARG 17 HH12 ARG 17 6.152 -8.693 -11.422 293 HH21 ARG 17 HH21 ARG 17 8.711 -8.772 -9.040 294 HH22 ARG 17 HH22 ARG 17 7.726 -9.715 -10.107 295 H LEU 18 H LEU 18 2.370 -1.863 -9.351 296 HA LEU 18 HA LEU 18 3.762 -0.848 -11.742 297 HB2 LEU 18 HB2 LEU 18 1.986 -1.346 -13.112 298 HB3 LEU 18 HB3 LEU 18 1.988 -2.722 -12.011 299 HG LEU 18 HG LEU 18 0.134 -0.343 -11.879 300 HD11 LEU 18 HD11 LEU 18 -1.406 -2.557 -12.200 301 HD12 LEU 18 HD12 LEU 18 -0.004 -2.962 -13.190 302 HD13 LEU 18 HD13 LEU 18 -0.908 -1.480 -13.506 303 HD21 LEU 18 HD21 LEU 18 -1.022 -2.009 -10.237 304 HD22 LEU 18 HD22 LEU 18 0.297 -0.981 -9.672 305 HD23 LEU 18 HD23 LEU 18 0.605 -2.672 -10.070 306 H PHE 19 H PHE 19 2.701 0.112 -8.906 307 HA PHE 19 HA PHE 19 1.616 2.652 -9.934 308 HB2 PHE 19 HB2 PHE 19 -0.113 1.438 -8.712 309 HB3 PHE 19 HB3 PHE 19 0.960 1.264 -7.327 310 HD1 PHE 19 HD1 PHE 19 -0.142 4.085 -9.513 311 HD2 PHE 19 HD2 PHE 19 0.384 2.595 -5.562 312 HE1 PHE 19 HE1 PHE 19 -0.982 6.211 -8.604 313 HE2 PHE 19 HE2 PHE 19 -0.456 4.718 -4.646 314 HZ PHE 19 HZ PHE 19 -1.140 6.529 -6.167 315 H ARG 20 H ARG 20 3.176 1.289 -7.028 316 HA ARG 20 HA ARG 20 4.552 3.829 -6.605 317 HB2 ARG 20 HB2 ARG 20 4.594 1.363 -4.860 318 HB3 ARG 20 HB3 ARG 20 5.123 2.982 -4.421 319 HG2 ARG 20 HG2 ARG 20 3.104 3.325 -3.583 320 HG3 ARG 20 HG3 ARG 20 2.476 3.286 -5.230 321 HD2 ARG 20 HD2 ARG 20 1.224 1.724 -3.925 322 HD3 ARG 20 HD3 ARG 20 2.266 0.812 -5.016 323 HE ARG 20 HE ARG 20 3.291 -0.088 -3.190 324 HH11 ARG 20 HH11 ARG 20 1.680 2.844 -2.227 325 HH12 ARG 20 HH12 ARG 20 2.026 2.635 -0.542 326 HH21 ARG 20 HH21 ARG 20 3.755 -0.373 -0.975 327 HH22 ARG 20 HH22 ARG 20 3.207 0.806 0.169 328 H ARG 21 H ARG 21 5.137 1.452 -8.585 329 HA ARG 21 HA ARG 21 7.864 0.799 -7.846 330 HB2 ARG 21 HB2 ARG 21 6.201 -0.778 -9.003 331 HB3 ARG 21 HB3 ARG 21 6.530 0.142 -10.464 332 HG2 ARG 21 HG2 ARG 21 7.914 -1.785 -10.497 333 HG3 ARG 21 HG3 ARG 21 8.950 -0.396 -10.163 334 HD2 ARG 21 HD2 ARG 21 8.111 -1.289 -7.661 335 HD3 ARG 21 HD3 ARG 21 8.459 -2.757 -8.572 336 HE ARG 21 HE ARG 21 10.561 -0.925 -8.929 337 HH11 ARG 21 HH11 ARG 21 9.161 -2.971 -6.485 338 HH12 ARG 21 HH12 ARG 21 10.653 -3.193 -5.631 339 HH21 ARG 21 HH21 ARG 21 12.531 -1.209 -7.815 340 HH22 ARG 21 HH22 ARG 21 12.568 -2.189 -6.389 341 H ASN 22 H ASN 22 6.232 2.481 -10.528 342 HA ASN 22 HA ASN 22 8.756 3.917 -11.030 343 HB2 ASN 22 HB2 ASN 22 6.906 2.544 -12.875 344 HB3 ASN 22 HB3 ASN 22 7.434 4.140 -13.400 345 HD21 ASN 22 HD21 ASN 22 8.173 0.894 -13.325 346 HD22 ASN 22 HD22 ASN 22 9.841 0.990 -13.768 347 H PHE 23 H PHE 23 5.262 4.081 -10.821 348 HA PHE 23 HA PHE 23 5.227 6.935 -11.348 349 HB2 PHE 23 HB2 PHE 23 2.908 5.251 -10.412 350 HB3 PHE 23 HB3 PHE 23 2.856 6.780 -11.284 351 HD1 PHE 23 HD1 PHE 23 4.339 6.602 -13.587 352 HD2 PHE 23 HD2 PHE 23 2.262 3.439 -11.639 353 HE1 PHE 23 HE1 PHE 23 4.206 5.381 -15.719 354 HE2 PHE 23 HE2 PHE 23 2.126 2.212 -13.768 355 HZ PHE 23 HZ PHE 23 3.099 3.182 -15.811 356 H GLY 24 H GLY 24 6.002 5.078 -8.752 357 HA2 GLY 24 HA2 GLY 24 4.652 6.618 -6.704 358 HA3 GLY 24 HA3 GLY 24 5.828 5.337 -6.446 359 H TYR 25 H TYR 25 7.824 6.532 -8.202 360 HA TYR 25 HA TYR 25 9.202 8.087 -6.307 361 HB2 TYR 25 HB2 TYR 25 9.745 6.934 -8.851 362 HB3 TYR 25 HB3 TYR 25 10.217 8.629 -8.922 363 HD1 TYR 25 HD1 TYR 25 10.658 5.534 -6.904 364 HD2 TYR 25 HD2 TYR 25 12.246 9.327 -7.994 365 HE1 TYR 25 HE1 TYR 25 12.743 4.994 -5.717 366 HE2 TYR 25 HE2 TYR 25 14.336 8.799 -6.810 367 HH TYR 25 HH TYR 25 15.359 5.963 -6.060 368 H THR 26 H THR 26 6.831 8.917 -8.634 369 HA THR 26 HA THR 26 7.450 11.528 -9.305 370 HB THR 26 HB THR 26 5.494 10.164 -10.155 371 HG1 THR 26 HG1 THR 26 5.321 12.162 -10.905 372 HG21 THR 26 HG21 THR 26 4.697 9.773 -7.712 373 HG22 THR 26 HG22 THR 26 3.495 10.028 -8.978 374 HG23 THR 26 HG23 THR 26 3.927 11.349 -7.894 375 H LEU 27 H LEU 27 6.131 10.250 -6.320 376 HA LEU 27 HA LEU 27 5.573 12.874 -5.237 377 HB2 LEU 27 HB2 LEU 27 5.483 10.113 -4.038 378 HB3 LEU 27 HB3 LEU 27 5.076 11.579 -3.149 379 HG LEU 27 HG LEU 27 3.546 11.468 -5.572 380 HD11 LEU 27 HD11 LEU 27 3.790 9.093 -5.558 381 HD12 LEU 27 HD12 LEU 27 2.177 9.475 -4.958 382 HD13 LEU 27 HD13 LEU 27 3.451 9.012 -3.829 383 HD21 LEU 27 HD21 LEU 27 3.001 12.751 -3.552 384 HD22 LEU 27 HD22 LEU 27 2.747 11.244 -2.672 385 HD23 LEU 27 HD23 LEU 27 1.689 11.668 -4.019 386 H ARG 28 H ARG 28 8.103 10.468 -5.077 387 HA ARG 28 HA ARG 28 9.590 12.200 -3.214 388 HB2 ARG 28 HB2 ARG 28 10.867 10.210 -2.570 389 HB3 ARG 28 HB3 ARG 28 9.146 9.981 -2.290 390 HG2 ARG 28 HG2 ARG 28 8.972 8.661 -4.325 391 HG3 ARG 28 HG3 ARG 28 10.688 8.918 -4.648 392 HD2 ARG 28 HD2 ARG 28 9.632 7.598 -2.154 393 HD3 ARG 28 HD3 ARG 28 10.117 6.711 -3.598 394 HE ARG 28 HE ARG 28 12.287 8.239 -3.020 395 HH11 ARG 28 HH11 ARG 28 10.361 5.975 -1.205 396 HH12 ARG 28 HH12 ARG 28 11.675 5.467 -0.196 397 HH21 ARG 28 HH21 ARG 28 14.024 7.577 -1.698 398 HH22 ARG 28 HH22 ARG 28 13.757 6.379 -0.477 Start of MODEL 14 1 H1 VAL 1 H VAL 1 0.039 3.788 -20.044 2 HA VAL 1 HA VAL 1 1.025 6.056 -20.832 3 HB VAL 1 HB VAL 1 -1.941 6.609 -20.965 4 HG11 VAL 1 HG11 VAL 1 -0.913 8.722 -22.119 5 HG12 VAL 1 HG12 VAL 1 -0.995 8.616 -20.359 6 HG13 VAL 1 HG13 VAL 1 0.521 8.277 -21.196 7 HG21 VAL 1 HG21 VAL 1 -1.349 7.051 -23.430 8 HG22 VAL 1 HG22 VAL 1 0.071 6.054 -23.119 9 HG23 VAL 1 HG23 VAL 1 -1.543 5.378 -22.907 10 H ALA 2 H ALA 2 1.776 5.750 -18.705 11 HA ALA 2 HA ALA 2 0.027 6.028 -16.449 12 HB1 ALA 2 1HB ALA 2 2.041 4.659 -16.315 13 HB2 ALA 2 HB2 ALA 2 3.039 6.088 -16.584 14 HB3 ALA 2 HB3 ALA 2 2.073 5.952 -15.115 15 H ARG 3 H ARG 3 -0.993 8.032 -16.710 16 HA ARG 3 HA ARG 3 0.759 10.375 -16.349 17 HB2 ARG 3 HB2 ARG 3 -0.264 10.772 -18.398 18 HB3 ARG 3 HB3 ARG 3 -1.769 10.005 -17.910 19 HG2 ARG 3 HG2 ARG 3 -2.317 11.892 -16.503 20 HG3 ARG 3 HG3 ARG 3 -0.768 12.650 -16.877 21 HD2 ARG 3 HD2 ARG 3 -1.427 13.293 -18.952 22 HD3 ARG 3 HD3 ARG 3 -2.473 11.891 -19.171 23 HE ARG 3 HE ARG 3 -3.236 14.454 -18.196 24 HH11 ARG 3 HH11 ARG 3 -3.903 11.049 -17.907 25 HH12 ARG 3 HH12 ARG 3 -5.544 11.280 -17.404 26 HH21 ARG 3 HH21 ARG 3 -5.396 14.771 -17.534 27 HH22 ARG 3 HH22 ARG 3 -6.393 13.398 -17.194 28 H GLY 4 H GLY 4 -1.853 8.517 -15.106 29 HA2 GLY 4 HA2 GLY 4 -3.108 10.466 -13.491 30 HA3 GLY 4 HA3 GLY 4 -3.164 8.729 -13.232 31 H TRP 5 H TRP 5 -0.072 8.924 -13.198 32 HA TRP 5 HA TRP 5 0.139 9.877 -10.416 33 HB2 TRP 5 HB2 TRP 5 0.825 7.285 -11.605 34 HB3 TRP 5 HB3 TRP 5 2.126 7.990 -10.650 35 HD1 TRP 5 HD1 TRP 5 -1.689 7.998 -9.926 36 HE1 TRP 5 HE1 TRP 5 -2.049 6.987 -7.587 37 HE3 TRP 5 HE3 TRP 5 3.147 6.760 -8.822 38 HZ2 TRP 5 HZ2 TRP 5 -0.491 5.819 -5.544 39 HZ3 TRP 5 HZ3 TRP 5 3.627 5.700 -6.654 40 HH2 TRP 5 HH2 TRP 5 1.845 5.240 -5.051 41 H LYS 6 H LYS 6 1.166 10.293 -13.553 42 HA LYS 6 HA LYS 6 3.806 11.308 -12.764 43 HB2 LYS 6 HB2 LYS 6 3.962 9.824 -14.620 44 HB3 LYS 6 HB3 LYS 6 2.617 10.601 -15.443 45 HG2 LYS 6 HG2 LYS 6 4.920 12.335 -14.845 46 HG3 LYS 6 HG3 LYS 6 5.201 11.053 -16.026 47 HD2 LYS 6 HD2 LYS 6 2.681 12.323 -16.546 48 HD3 LYS 6 HD3 LYS 6 3.955 13.540 -16.443 49 HE2 LYS 6 HE2 LYS 6 5.292 12.116 -18.028 50 HE3 LYS 6 HE3 LYS 6 3.847 11.130 -18.246 51 HZ1 LYS 6 HZ1 LYS 6 3.381 13.948 -18.582 52 HZ2 LYS 6 HZ2 LYS 6 2.928 12.652 -19.570 53 HZ3 LYS 6 HZ3 LYS 6 4.477 13.315 -19.704 54 H ARG 7 H ARG 7 0.653 12.303 -13.633 55 HA ARG 7 HA ARG 7 1.587 15.046 -14.145 56 HB2 ARG 7 HB2 ARG 7 0.256 14.255 -15.967 57 HB3 ARG 7 HB3 ARG 7 -0.981 13.643 -14.879 58 HG2 ARG 7 HG2 ARG 7 -0.562 16.464 -14.474 59 HG3 ARG 7 HG3 ARG 7 -0.935 16.108 -16.161 60 HD2 ARG 7 HD2 ARG 7 -2.758 14.552 -14.931 61 HD3 ARG 7 HD3 ARG 7 -2.610 15.851 -13.746 62 HE ARG 7 HE ARG 7 -2.956 16.819 -16.419 63 HH11 ARG 7 HH11 ARG 7 -4.614 15.601 -13.609 64 HH12 ARG 7 HH12 ARG 7 -6.108 16.392 -13.989 65 HH21 ARG 7 HH21 ARG 7 -4.918 17.864 -16.929 66 HH22 ARG 7 HH22 ARG 7 -6.280 17.677 -15.878 67 H LYS 8 H LYS 8 -0.429 13.047 -12.113 68 HA LYS 8 HA LYS 8 -1.759 15.173 -10.765 69 HB2 LYS 8 HB2 LYS 8 -1.431 12.238 -10.324 70 HB3 LYS 8 HB3 LYS 8 -2.000 13.225 -8.984 71 HG2 LYS 8 HG2 LYS 8 -3.832 12.218 -10.273 72 HG3 LYS 8 HG3 LYS 8 -3.884 13.983 -10.284 73 HD2 LYS 8 HD2 LYS 8 -3.279 14.122 -12.503 74 HD3 LYS 8 HD3 LYS 8 -2.468 12.554 -12.489 75 HE2 LYS 8 HE2 LYS 8 -4.611 11.419 -12.395 76 HE3 LYS 8 HE3 LYS 8 -5.451 12.966 -12.309 77 HZ1 LYS 8 HZ1 LYS 8 -5.116 13.377 -14.502 78 HZ2 LYS 8 HZ2 LYS 8 -5.135 11.687 -14.571 79 HZ3 LYS 8 HZ3 LYS 8 -3.661 12.517 -14.577 80 H CYS 9 H CYS 9 0.034 16.585 -10.304 81 HA CYS 9 HA CYS 9 2.105 15.745 -8.505 82 HB2 CYS 9 HB2 CYS 9 1.527 18.053 -10.128 83 HB3 CYS 9 HB3 CYS 9 1.953 18.560 -8.498 84 HG CYS 9 HG CYS 9 4.160 18.554 -10.379 85 HA PRO 10 HA PRO 10 -0.271 18.484 -5.330 86 HB2 PRO 10 HB2 PRO 10 -2.692 19.467 -6.069 87 HB3 PRO 10 HB3 PRO 10 -1.176 20.326 -6.364 88 HG2 PRO 10 HG2 PRO 10 -2.795 18.640 -8.236 89 HG3 PRO 10 HG3 PRO 10 -2.000 20.197 -8.535 90 HD2 PRO 10 HD2 PRO 10 -0.927 17.839 -9.323 91 HD3 PRO 10 HD3 PRO 10 0.069 19.226 -8.837 92 H LEU 11 H LEU 11 -2.010 16.303 -7.420 93 HA LEU 11 HA LEU 11 -3.992 15.565 -5.483 94 HB2 LEU 11 HB2 LEU 11 -3.178 14.619 -8.184 95 HB3 LEU 11 HB3 LEU 11 -4.142 13.544 -7.173 96 HG LEU 11 HG LEU 11 -5.487 15.979 -7.087 97 HD11 LEU 11 HD11 LEU 11 -5.480 16.979 -9.108 98 HD12 LEU 11 HD12 LEU 11 -5.199 15.470 -9.977 99 HD13 LEU 11 HD13 LEU 11 -3.855 16.298 -9.192 100 HD21 LEU 11 HD21 LEU 11 -6.617 13.892 -7.103 101 HD22 LEU 11 HD22 LEU 11 -5.926 13.453 -8.666 102 HD23 LEU 11 HD23 LEU 11 -7.116 14.751 -8.560 103 H PHE 12 H PHE 12 -1.673 13.396 -7.078 104 HA PHE 12 HA PHE 12 -1.661 11.531 -4.972 105 HB2 PHE 12 HB2 PHE 12 -1.036 10.752 -7.126 106 HB3 PHE 12 HB3 PHE 12 0.206 11.989 -7.295 107 HD1 PHE 12 HD1 PHE 12 -0.614 9.413 -4.717 108 HD2 PHE 12 HD2 PHE 12 2.315 11.107 -7.301 109 HE1 PHE 12 HE1 PHE 12 1.064 7.839 -3.842 110 HE2 PHE 12 HE2 PHE 12 3.996 9.535 -6.431 111 HZ PHE 12 HZ PHE 12 3.372 7.898 -4.700 112 H GLY 13 H GLY 13 -0.070 14.523 -5.334 113 HA2 GLY 13 HA2 GLY 13 2.099 13.854 -3.505 114 HA3 GLY 13 HA3 GLY 13 1.847 15.399 -4.304 115 H LYS 14 H LYS 14 0.102 16.771 -3.486 116 HA LYS 14 HA LYS 14 0.213 17.003 -0.668 117 HB2 LYS 14 HB2 LYS 14 -1.795 18.344 -2.476 118 HB3 LYS 14 HB3 LYS 14 -1.204 18.911 -0.919 119 HG2 LYS 14 HG2 LYS 14 0.416 18.691 -3.449 120 HG3 LYS 14 HG3 LYS 14 -0.228 20.178 -2.747 121 HD2 LYS 14 HD2 LYS 14 1.641 20.365 -1.556 122 HD3 LYS 14 HD3 LYS 14 1.194 18.891 -0.692 123 HE2 LYS 14 HE2 LYS 14 3.181 18.172 -1.495 124 HE3 LYS 14 HE3 LYS 14 2.213 17.808 -2.923 125 HZ1 LYS 14 HZ1 LYS 14 4.240 19.002 -3.491 126 HZ2 LYS 14 HZ2 LYS 14 3.783 20.294 -2.499 127 HZ3 LYS 14 HZ3 LYS 14 2.873 19.921 -3.875 128 H GLY 15 H GLY 15 -2.244 15.786 -2.897 129 HA2 GLY 15 HA2 GLY 15 -4.231 15.392 -0.876 130 HA3 GLY 15 HA3 GLY 15 -4.265 14.744 -2.510 131 H GLY 16 H GLY 16 -1.535 13.532 -2.012 132 HA2 GLY 16 HA2 GLY 16 -2.419 10.955 -1.292 133 HA3 GLY 16 HA3 GLY 16 -0.742 11.458 -1.432 134 H1 LYS 1 H LYS 1 -9.611 10.722 -11.970 135 HA LYS 1 HA LYS 1 -7.409 12.278 -13.138 136 HB2 LYS 1 HB2 LYS 1 -8.081 11.495 -10.310 137 HB3 LYS 1 HB3 LYS 1 -6.481 12.079 -10.750 138 HG2 LYS 1 HG2 LYS 1 -7.207 14.150 -10.492 139 HG3 LYS 1 HG3 LYS 1 -8.317 13.904 -11.842 140 HD2 LYS 1 HD2 LYS 1 -10.010 13.052 -10.304 141 HD3 LYS 1 HD3 LYS 1 -8.897 13.259 -8.949 142 HE2 LYS 1 HE2 LYS 1 -8.900 15.636 -9.229 143 HE3 LYS 1 HE3 LYS 1 -9.803 15.509 -10.737 144 HZ1 LYS 1 HZ1 LYS 1 -11.219 16.164 -8.886 145 HZ2 LYS 1 HZ2 LYS 1 -10.826 14.743 -8.057 146 HZ3 LYS 1 HZ3 LYS 1 -11.692 14.663 -9.508 147 H TYR 2 H TYR 2 -7.457 9.569 -10.836 148 HA TYR 2 HA TYR 2 -5.373 8.276 -12.460 149 HB2 TYR 2 HB2 TYR 2 -5.075 6.956 -10.213 150 HB3 TYR 2 HB3 TYR 2 -4.400 8.574 -10.383 151 HD1 TYR 2 HD1 TYR 2 -5.413 10.472 -9.221 152 HD2 TYR 2 HD2 TYR 2 -6.939 6.530 -8.737 153 HE1 TYR 2 HE1 TYR 2 -6.666 11.208 -7.238 154 HE2 TYR 2 HE2 TYR 2 -8.198 7.256 -6.753 155 HH TYR 2 HH TYR 2 -8.956 10.224 -6.039 156 H GLU 3 H GLU 3 -6.952 7.337 -13.874 157 HA GLU 3 HA GLU 3 -8.495 5.146 -12.654 158 HB2 GLU 3 HB2 GLU 3 -9.006 6.926 -14.994 159 HB3 GLU 3 HB3 GLU 3 -9.631 5.284 -15.045 160 HG2 GLU 3 HG2 GLU 3 -10.392 6.124 -12.555 161 HG3 GLU 3 HG3 GLU 3 -10.544 7.591 -13.520 162 H ILE 4 H ILE 4 -5.698 5.729 -14.263 163 HA ILE 4 HA ILE 4 -5.760 3.106 -15.608 164 HB ILE 4 HB ILE 4 -5.495 4.888 -17.241 165 HG12 ILE 4 HG12 ILE 4 -4.013 2.657 -17.125 166 HG13 ILE 4 HG13 ILE 4 -3.864 3.825 -18.434 167 HG21 ILE 4 HG21 ILE 4 -3.355 6.254 -17.149 168 HG22 ILE 4 HG22 ILE 4 -4.622 6.685 -16.002 169 HG23 ILE 4 HG23 ILE 4 -3.229 5.746 -15.464 170 HD11 ILE 4 HD11 ILE 4 -1.736 2.940 -17.294 171 HD12 ILE 4 HD12 ILE 4 -1.871 4.669 -17.621 172 HD13 ILE 4 HD13 ILE 4 -2.158 4.054 -15.994 173 H THR 5 H THR 5 -4.225 5.120 -13.284 174 HA THR 5 HA THR 5 -1.987 3.230 -13.018 175 HB THR 5 HB THR 5 -1.126 5.425 -13.206 176 HG1 THR 5 HG1 THR 5 -1.264 5.006 -10.397 177 HG21 THR 5 HG21 THR 5 -3.163 6.692 -12.837 178 HG22 THR 5 HG22 THR 5 -1.888 7.292 -11.775 179 HG23 THR 5 HG23 THR 5 -3.156 6.251 -11.129 180 H THR 6 H THR 6 -4.978 3.917 -11.720 181 HA THR 6 HA THR 6 -4.226 2.808 -9.094 182 HB THR 6 HB THR 6 -5.616 5.139 -9.587 183 HG1 THR 6 HG1 THR 6 -5.802 3.476 -7.277 184 HG21 THR 6 HG21 THR 6 -7.555 3.722 -10.319 185 HG22 THR 6 HG22 THR 6 -7.903 4.800 -8.967 186 HG23 THR 6 HG23 THR 6 -7.626 3.082 -8.678 187 H ILE 7 H ILE 7 -6.193 2.425 -11.917 188 HA ILE 7 HA ILE 7 -8.118 0.633 -10.926 189 HB ILE 7 HB ILE 7 -8.448 1.646 -13.079 190 HG12 ILE 7 HG12 ILE 7 -9.022 -0.915 -12.544 191 HG13 ILE 7 HG13 ILE 7 -9.430 -0.158 -14.081 192 HG21 ILE 7 HG21 ILE 7 -6.181 1.941 -13.800 193 HG22 ILE 7 HG22 ILE 7 -5.938 0.198 -13.902 194 HG23 ILE 7 HG23 ILE 7 -7.035 1.001 -15.024 195 HD11 ILE 7 HD11 ILE 7 -7.728 -1.239 -15.208 196 HD12 ILE 7 HD12 ILE 7 -6.819 -1.564 -13.731 197 HD13 ILE 7 HD13 ILE 7 -8.294 -2.466 -14.075 198 H HIS 8 H HIS 8 -4.862 0.133 -12.182 199 HA HIS 8 HA HIS 8 -4.955 -2.682 -12.322 200 HB2 HIS 8 HB2 HIS 8 -3.051 -0.657 -12.818 201 HB3 HIS 8 HB3 HIS 8 -2.313 -1.755 -11.656 202 HD1 HIS 8 HD1 HIS 8 -4.522 -2.512 -14.662 203 HD2 HIS 8 HD2 HIS 8 -0.752 -3.378 -13.150 204 HE1 HIS 8 HE1 HIS 8 -3.519 -4.167 -16.268 205 H ASN 9 H ASN 9 -4.934 -0.586 -9.665 206 HA ASN 9 HA ASN 9 -3.465 -2.083 -7.785 207 HB2 ASN 9 HB2 ASN 9 -4.260 0.316 -7.554 208 HB3 ASN 9 HB3 ASN 9 -5.848 -0.338 -7.158 209 HD21 ASN 9 HD21 ASN 9 -6.047 0.159 -5.070 210 HD22 ASN 9 HD22 ASN 9 -4.954 -0.333 -3.825 211 H LEU 10 H LEU 10 -6.408 -2.731 -9.310 212 HA LEU 10 HA LEU 10 -7.681 -4.180 -7.199 213 HB2 LEU 10 HB2 LEU 10 -9.335 -4.717 -8.744 214 HB3 LEU 10 HB3 LEU 10 -8.762 -3.133 -9.261 215 HG LEU 10 HG LEU 10 -7.222 -4.665 -10.820 216 HD11 LEU 10 HD11 LEU 10 -7.828 -6.795 -10.874 217 HD12 LEU 10 HD12 LEU 10 -9.418 -6.307 -11.459 218 HD13 LEU 10 HD13 LEU 10 -9.133 -6.487 -9.728 219 HD21 LEU 10 HD21 LEU 10 -9.190 -2.897 -11.218 220 HD22 LEU 10 HD22 LEU 10 -9.992 -4.353 -11.809 221 HD23 LEU 10 HD23 LEU 10 -8.463 -3.836 -12.522 222 H PHE 11 H PHE 11 -4.952 -4.814 -8.935 223 HA PHE 11 HA PHE 11 -5.260 -7.575 -9.522 224 HB2 PHE 11 HB2 PHE 11 -3.101 -5.594 -9.580 225 HB3 PHE 11 HB3 PHE 11 -2.553 -7.218 -9.180 226 HD1 PHE 11 HD1 PHE 11 -5.425 -6.491 -11.362 227 HD2 PHE 11 HD2 PHE 11 -1.323 -7.614 -11.174 228 HE1 PHE 11 HE1 PHE 11 -5.483 -7.093 -13.748 229 HE2 PHE 11 HE2 PHE 11 -1.375 -8.216 -13.558 230 HZ PHE 11 HZ PHE 11 -3.456 -7.955 -14.849 231 H ARG 12 H ARG 12 -6.198 -8.413 -7.589 232 HA ARG 12 HA ARG 12 -5.297 -8.264 -5.020 233 HB2 ARG 12 HB2 ARG 12 -6.533 -10.521 -6.564 234 HB3 ARG 12 HB3 ARG 12 -6.061 -10.749 -4.885 235 HG2 ARG 12 HG2 ARG 12 -7.951 -9.821 -4.217 236 HG3 ARG 12 HG3 ARG 12 -7.536 -8.331 -5.066 237 HD2 ARG 12 HD2 ARG 12 -9.444 -8.801 -6.189 238 HD3 ARG 12 HD3 ARG 12 -8.352 -9.802 -7.146 239 HE ARG 12 HE ARG 12 -9.336 -11.312 -4.992 240 HH11 ARG 12 HH11 ARG 12 -10.408 -9.878 -7.978 241 HH12 ARG 12 HH12 ARG 12 -11.658 -11.048 -8.243 242 HH21 ARG 12 HH21 ARG 12 -10.979 -12.858 -5.329 243 HH22 ARG 12 HH22 ARG 12 -11.983 -12.742 -6.735 244 H LYS 13 H LYS 13 -3.927 -10.143 -7.651 245 HA LYS 13 HA LYS 13 -2.142 -11.693 -6.103 246 HB2 LYS 13 HB2 LYS 13 -2.793 -11.399 -8.841 247 HB3 LYS 13 HB3 LYS 13 -1.058 -11.153 -8.705 248 HG2 LYS 13 HG2 LYS 13 -0.742 -13.293 -7.733 249 HG3 LYS 13 HG3 LYS 13 -2.479 -13.521 -7.518 250 HD2 LYS 13 HD2 LYS 13 -2.812 -13.654 -9.894 251 HD3 LYS 13 HD3 LYS 13 -1.128 -13.224 -10.198 252 HE2 LYS 13 HE2 LYS 13 -0.399 -15.316 -9.812 253 HE3 LYS 13 HE3 LYS 13 -1.498 -15.554 -8.454 254 HZ1 LYS 13 HZ1 LYS 13 -1.932 -17.013 -10.396 255 HZ2 LYS 13 HZ2 LYS 13 -2.348 -15.642 -11.295 256 HZ3 LYS 13 HZ3 LYS 13 -3.263 -16.074 -9.940 257 H LEU 14 H LEU 14 -1.792 -8.582 -7.760 258 HA LEU 14 HA LEU 14 0.884 -8.278 -6.601 259 HB2 LEU 14 HB2 LEU 14 -0.578 -6.830 -8.791 260 HB3 LEU 14 HB3 LEU 14 0.924 -6.221 -8.097 261 HG LEU 14 HG LEU 14 2.001 -8.385 -8.794 262 HD11 LEU 14 HD11 LEU 14 0.583 -10.019 -9.345 263 HD12 LEU 14 HD12 LEU 14 0.453 -9.199 -10.900 264 HD13 LEU 14 HD13 LEU 14 -0.744 -8.896 -9.641 265 HD21 LEU 14 HD21 LEU 14 0.896 -7.003 -11.201 266 HD22 LEU 14 HD22 LEU 14 2.538 -7.561 -10.880 267 HD23 LEU 14 HD23 LEU 14 1.922 -6.118 -10.072 268 H THR 15 H THR 15 0.893 -7.401 -4.640 269 HA THR 15 HA THR 15 -1.136 -6.002 -3.398 270 HB THR 15 HB THR 15 0.472 -6.685 -1.899 271 HG1 THR 15 HG1 THR 15 1.064 -4.847 -0.906 272 HG21 THR 15 HG21 THR 15 2.364 -7.340 -2.961 273 HG22 THR 15 HG22 THR 15 2.960 -5.775 -2.409 274 HG23 THR 15 HG23 THR 15 2.354 -5.958 -4.055 275 H HIS 16 H HIS 16 1.802 -4.154 -3.692 276 HA HIS 16 HA HIS 16 0.332 -2.056 -5.146 277 HB2 HIS 16 HB2 HIS 16 1.649 -1.946 -2.520 278 HB3 HIS 16 HB3 HIS 16 2.107 -0.640 -3.610 279 HD1 HIS 16 HD1 HIS 16 -1.356 -1.998 -3.800 280 HD2 HIS 16 HD2 HIS 16 0.644 1.203 -2.064 281 HE1 HIS 16 HE1 HIS 16 -3.156 -0.417 -3.031 282 H ARG 17 H ARG 17 2.689 -4.182 -5.473 283 HA ARG 17 HA ARG 17 5.010 -2.826 -6.164 284 HB2 ARG 17 HB2 ARG 17 5.672 -4.778 -7.328 285 HB3 ARG 17 HB3 ARG 17 4.653 -5.334 -6.007 286 HG2 ARG 17 HG2 ARG 17 2.793 -5.638 -7.510 287 HG3 ARG 17 HG3 ARG 17 3.725 -4.957 -8.845 288 HD2 ARG 17 HD2 ARG 17 5.254 -7.051 -7.699 289 HD3 ARG 17 HD3 ARG 17 3.614 -7.653 -7.936 290 HE ARG 17 HE ARG 17 4.317 -6.366 -10.277 291 HH11 ARG 17 HH11 ARG 17 5.455 -9.071 -8.405 292 HH12 ARG 17 HH12 ARG 17 6.069 -9.930 -9.779 293 HH21 ARG 17 HH21 ARG 17 5.121 -7.487 -12.094 294 HH22 ARG 17 HH22 ARG 17 5.879 -9.028 -11.876 295 H LEU 18 H LEU 18 2.035 -3.261 -7.958 296 HA LEU 18 HA LEU 18 3.190 -1.953 -10.306 297 HB2 LEU 18 HB2 LEU 18 0.833 -2.446 -11.228 298 HB3 LEU 18 HB3 LEU 18 1.967 -3.778 -11.012 299 HG LEU 18 HG LEU 18 0.822 -4.453 -8.978 300 HD11 LEU 18 HD11 LEU 18 -0.820 -1.993 -9.493 301 HD12 LEU 18 HD12 LEU 18 0.049 -2.453 -8.029 302 HD13 LEU 18 HD13 LEU 18 -1.409 -3.326 -8.498 303 HD21 LEU 18 HD21 LEU 18 -1.240 -4.012 -11.124 304 HD22 LEU 18 HD22 LEU 18 -1.138 -5.338 -9.966 305 HD23 LEU 18 HD23 LEU 18 0.052 -5.204 -11.260 306 H PHE 19 H PHE 19 2.424 -0.684 -7.641 307 HA PHE 19 HA PHE 19 0.678 1.411 -8.758 308 HB2 PHE 19 HB2 PHE 19 -0.252 -0.019 -6.837 309 HB3 PHE 19 HB3 PHE 19 0.914 0.814 -5.815 310 HD1 PHE 19 HD1 PHE 19 -1.167 2.117 -8.607 311 HD2 PHE 19 HD2 PHE 19 -0.340 2.181 -4.433 312 HE1 PHE 19 HE1 PHE 19 -2.752 3.978 -8.326 313 HE2 PHE 19 HE2 PHE 19 -1.924 4.041 -4.144 314 HZ PHE 19 HZ PHE 19 -3.133 4.941 -6.092 315 H ARG 20 H ARG 20 3.491 0.658 -6.802 316 HA ARG 20 HA ARG 20 4.255 3.502 -6.892 317 HB2 ARG 20 HB2 ARG 20 4.876 1.375 -4.846 318 HB3 ARG 20 HB3 ARG 20 5.742 2.904 -4.921 319 HG2 ARG 20 HG2 ARG 20 3.947 4.118 -4.182 320 HG3 ARG 20 HG3 ARG 20 2.770 2.947 -4.782 321 HD2 ARG 20 HD2 ARG 20 2.974 1.595 -2.945 322 HD3 ARG 20 HD3 ARG 20 4.630 2.105 -2.619 323 HE ARG 20 HE ARG 20 2.263 3.230 -1.530 324 HH11 ARG 20 HH11 ARG 20 5.453 4.056 -2.653 325 HH12 ARG 20 HH12 ARG 20 5.587 5.457 -1.642 326 HH21 ARG 20 HH21 ARG 20 2.428 5.072 -0.195 327 HH22 ARG 20 HH22 ARG 20 3.866 6.033 -0.244 328 H ARG 21 H ARG 21 5.451 0.176 -7.102 329 HA ARG 21 HA ARG 21 8.063 0.991 -7.988 330 HB2 ARG 21 HB2 ARG 21 7.216 -1.228 -6.766 331 HB3 ARG 21 HB3 ARG 21 7.095 -1.787 -8.430 332 HG2 ARG 21 HG2 ARG 21 9.300 -2.024 -8.617 333 HG3 ARG 21 HG3 ARG 21 9.616 -0.451 -7.882 334 HD2 ARG 21 HD2 ARG 21 8.852 -1.767 -5.698 335 HD3 ARG 21 HD3 ARG 21 9.441 -3.139 -6.637 336 HE ARG 21 HE ARG 21 11.433 -1.274 -6.806 337 HH11 ARG 21 HH11 ARG 21 9.755 -2.874 -4.208 338 HH12 ARG 21 HH12 ARG 21 11.107 -2.819 -3.127 339 HH21 ARG 21 HH21 ARG 21 13.220 -1.195 -5.391 340 HH22 ARG 21 HH22 ARG 21 13.077 -1.863 -3.799 341 H ASN 22 H ASN 22 5.126 0.977 -9.469 342 HA ASN 22 HA ASN 22 6.321 0.496 -12.120 343 HB2 ASN 22 HB2 ASN 22 4.601 -1.166 -11.611 344 HB3 ASN 22 HB3 ASN 22 3.444 0.115 -11.262 345 HD21 ASN 22 HD21 ASN 22 1.996 0.160 -12.815 346 HD22 ASN 22 HD22 ASN 22 2.317 0.079 -14.511 347 H PHE 23 H PHE 23 3.450 2.146 -10.787 348 HA PHE 23 HA PHE 23 3.700 4.250 -12.750 349 HB2 PHE 23 HB2 PHE 23 1.756 3.915 -10.456 350 HB3 PHE 23 HB3 PHE 23 1.645 5.145 -11.712 351 HD1 PHE 23 HD1 PHE 23 1.792 4.085 -14.186 352 HD2 PHE 23 HD2 PHE 23 0.400 2.092 -10.691 353 HE1 PHE 23 HE1 PHE 23 0.497 2.534 -15.590 354 HE2 PHE 23 HE2 PHE 23 -0.896 0.538 -12.091 355 HZ PHE 23 HZ PHE 23 -0.849 0.757 -14.543 356 H GLY 24 H GLY 24 5.328 3.660 -10.013 357 HA2 GLY 24 HA2 GLY 24 5.519 6.526 -9.317 358 HA3 GLY 24 HA3 GLY 24 5.713 5.235 -8.140 359 H TYR 25 H TYR 25 7.201 3.728 -10.372 360 HA TYR 25 HA TYR 25 9.797 4.283 -9.496 361 HB2 TYR 25 HB2 TYR 25 8.649 2.298 -10.969 362 HB3 TYR 25 HB3 TYR 25 9.578 3.140 -12.204 363 HD1 TYR 25 HD1 TYR 25 9.972 1.756 -8.757 364 HD2 TYR 25 HD2 TYR 25 11.796 2.560 -12.516 365 HE1 TYR 25 HE1 TYR 25 12.007 0.592 -8.012 366 HE2 TYR 25 HE2 TYR 25 13.835 1.397 -11.783 367 HH TYR 25 HH TYR 25 14.730 0.072 -10.201 368 H THR 26 H THR 26 7.880 5.724 -11.994 369 HA THR 26 HA THR 26 9.809 6.801 -13.669 370 HB THR 26 HB THR 26 8.193 8.414 -14.368 371 HG1 THR 26 HG1 THR 26 6.163 8.442 -12.937 372 HG21 THR 26 HG21 THR 26 6.477 6.120 -13.468 373 HG22 THR 26 HG22 THR 26 7.727 5.901 -14.693 374 HG23 THR 26 HG23 THR 26 6.404 7.033 -14.974 375 H LEU 27 H LEU 27 8.561 8.036 -10.598 376 HA LEU 27 HA LEU 27 9.869 10.521 -10.637 377 HB2 LEU 27 HB2 LEU 27 8.674 8.785 -8.542 378 HB3 LEU 27 HB3 LEU 27 9.724 10.102 -8.024 379 HG LEU 27 HG LEU 27 7.371 10.741 -7.941 380 HD11 LEU 27 HD11 LEU 27 7.559 12.832 -9.060 381 HD12 LEU 27 HD12 LEU 27 8.739 12.187 -10.199 382 HD13 LEU 27 HD13 LEU 27 9.172 12.388 -8.502 383 HD21 LEU 27 HD21 LEU 27 7.326 10.422 -10.934 384 HD22 LEU 27 HD22 LEU 27 5.985 10.845 -9.869 385 HD23 LEU 27 HD23 LEU 27 6.675 9.223 -9.816 386 H ARG 28 H ARG 28 10.994 7.318 -9.917 387 HA ARG 28 HA ARG 28 13.530 8.375 -8.886 388 HB2 ARG 28 HB2 ARG 28 12.170 6.495 -7.729 389 HB3 ARG 28 HB3 ARG 28 12.803 5.462 -9.002 390 HG2 ARG 28 HG2 ARG 28 14.669 5.187 -7.853 391 HG3 ARG 28 HG3 ARG 28 14.974 6.924 -7.919 392 HD2 ARG 28 HD2 ARG 28 13.124 6.856 -5.972 393 HD3 ARG 28 HD3 ARG 28 13.855 5.268 -5.744 394 HE ARG 28 HE ARG 28 15.030 7.812 -5.146 395 HH11 ARG 28 HH11 ARG 28 15.701 4.508 -6.017 396 HH12 ARG 28 HH12 ARG 28 17.289 4.512 -5.324 397 HH21 ARG 28 HH21 ARG 28 17.120 7.828 -4.231 398 HH22 ARG 28 HH22 ARG 28 18.094 6.400 -4.309 Start of MODEL 15 1 H1 VAL 1 H VAL 1 -9.278 4.341 -17.685 2 HA VAL 1 HA VAL 1 -9.822 5.749 -15.915 3 HB VAL 1 HB VAL 1 -8.955 3.221 -14.504 4 HG11 VAL 1 HG11 VAL 1 -9.296 4.730 -12.785 5 HG12 VAL 1 HG12 VAL 1 -10.567 5.592 -13.654 6 HG13 VAL 1 HG13 VAL 1 -10.892 4.002 -12.962 7 HG21 VAL 1 HG21 VAL 1 -11.706 3.213 -14.736 8 HG22 VAL 1 HG22 VAL 1 -11.160 3.819 -16.300 9 HG23 VAL 1 HG23 VAL 1 -10.577 2.265 -15.704 10 H ALA 2 H ALA 2 -8.055 7.269 -16.177 11 HA ALA 2 HA ALA 2 -5.910 6.964 -14.187 12 HB1 ALA 2 1HB ALA 2 -5.272 7.314 -16.581 13 HB2 ALA 2 HB2 ALA 2 -5.994 8.919 -16.476 14 HB3 ALA 2 HB3 ALA 2 -4.613 8.505 -15.461 15 H ARG 3 H ARG 3 -7.932 7.546 -12.771 16 HA ARG 3 HA ARG 3 -7.958 10.476 -12.442 17 HB2 ARG 3 HB2 ARG 3 -10.210 9.071 -11.227 18 HB3 ARG 3 HB3 ARG 3 -10.197 10.496 -12.258 19 HG2 ARG 3 HG2 ARG 3 -10.034 9.080 -14.233 20 HG3 ARG 3 HG3 ARG 3 -10.019 7.643 -13.208 21 HD2 ARG 3 HD2 ARG 3 -12.238 7.669 -13.625 22 HD3 ARG 3 HD3 ARG 3 -12.251 8.833 -12.300 23 HE ARG 3 HE ARG 3 -11.826 10.211 -14.702 24 HH11 ARG 3 HH11 ARG 3 -14.316 8.410 -13.065 25 HH12 ARG 3 HH12 ARG 3 -15.616 9.274 -13.817 26 HH21 ARG 3 HH21 ARG 3 -13.529 11.354 -15.699 27 HH22 ARG 3 HH22 ARG 3 -15.167 10.947 -15.316 28 H GLY 4 H GLY 4 -7.002 7.565 -11.123 29 HA2 GLY 4 HA2 GLY 4 -7.338 8.377 -8.341 30 HA3 GLY 4 HA3 GLY 4 -6.680 6.848 -8.909 31 H TRP 5 H TRP 5 -5.126 8.984 -10.752 32 HA TRP 5 HA TRP 5 -2.982 9.409 -8.776 33 HB2 TRP 5 HB2 TRP 5 -2.245 9.173 -11.639 34 HB3 TRP 5 HB3 TRP 5 -1.390 8.615 -10.203 35 HD1 TRP 5 HD1 TRP 5 -3.043 6.478 -8.943 36 HE1 TRP 5 HE1 TRP 5 -3.800 4.345 -10.170 37 HE3 TRP 5 HE3 TRP 5 -2.634 8.127 -13.764 38 HZ2 TRP 5 HZ2 TRP 5 -4.175 3.478 -12.829 39 HZ3 TRP 5 HZ3 TRP 5 -3.210 6.584 -15.591 40 HH2 TRP 5 HH2 TRP 5 -3.964 4.308 -15.132 41 H LYS 6 H LYS 6 -5.222 10.922 -10.627 42 HA LYS 6 HA LYS 6 -3.543 13.326 -10.933 43 HB2 LYS 6 HB2 LYS 6 -5.786 12.286 -12.652 44 HB3 LYS 6 HB3 LYS 6 -5.283 13.970 -12.707 45 HG2 LYS 6 HG2 LYS 6 -4.096 13.030 -14.445 46 HG3 LYS 6 HG3 LYS 6 -2.922 13.005 -13.126 47 HD2 LYS 6 HD2 LYS 6 -3.002 10.733 -12.918 48 HD3 LYS 6 HD3 LYS 6 -4.680 10.634 -13.454 49 HE2 LYS 6 HE2 LYS 6 -3.034 9.662 -15.055 50 HE3 LYS 6 HE3 LYS 6 -4.038 10.941 -15.737 51 HZ1 LYS 6 HZ1 LYS 6 -1.648 11.991 -14.609 52 HZ2 LYS 6 HZ2 LYS 6 -2.249 12.148 -16.182 53 HZ3 LYS 6 HZ3 LYS 6 -1.297 10.812 -15.772 54 H ARG 7 H ARG 7 -6.132 11.933 -9.322 55 HA ARG 7 HA ARG 7 -7.503 14.471 -8.850 56 HB2 ARG 7 HB2 ARG 7 -8.950 12.595 -9.302 57 HB3 ARG 7 HB3 ARG 7 -8.170 11.636 -8.051 58 HG2 ARG 7 HG2 ARG 7 -9.194 14.114 -6.983 59 HG3 ARG 7 HG3 ARG 7 -10.457 13.185 -7.793 60 HD2 ARG 7 HD2 ARG 7 -10.311 11.442 -6.319 61 HD3 ARG 7 HD3 ARG 7 -8.610 11.741 -5.967 62 HE ARG 7 HE ARG 7 -9.835 13.892 -4.892 63 HH11 ARG 7 HH11 ARG 7 -10.365 10.463 -4.605 64 HH12 ARG 7 HH12 ARG 7 -10.973 10.561 -2.986 65 HH21 ARG 7 HH21 ARG 7 -10.635 14.034 -2.761 66 HH22 ARG 7 HH22 ARG 7 -11.127 12.592 -1.938 67 H LYS 8 H LYS 8 -5.347 12.226 -7.326 68 HA LYS 8 HA LYS 8 -5.719 13.375 -4.686 69 HB2 LYS 8 HB2 LYS 8 -4.294 11.044 -5.823 70 HB3 LYS 8 HB3 LYS 8 -3.553 11.782 -4.408 71 HG2 LYS 8 HG2 LYS 8 -4.893 10.364 -3.300 72 HG3 LYS 8 HG3 LYS 8 -6.104 11.620 -3.569 73 HD2 LYS 8 HD2 LYS 8 -6.435 10.297 -5.842 74 HD3 LYS 8 HD3 LYS 8 -5.781 8.969 -4.880 75 HE2 LYS 8 HE2 LYS 8 -8.124 10.678 -4.054 76 HE3 LYS 8 HE3 LYS 8 -8.270 9.119 -4.862 77 HZ1 LYS 8 HZ1 LYS 8 -7.416 9.720 -2.124 78 HZ2 LYS 8 HZ2 LYS 8 -6.754 8.364 -2.888 79 HZ3 LYS 8 HZ3 LYS 8 -8.429 8.490 -2.691 80 H CYS 9 H CYS 9 -2.645 12.633 -6.278 81 HA CYS 9 HA CYS 9 -1.792 15.406 -5.772 82 HB2 CYS 9 HB2 CYS 9 -0.804 13.107 -4.524 83 HB3 CYS 9 HB3 CYS 9 0.405 13.515 -5.735 84 HG CYS 9 HG CYS 9 -0.725 15.629 -3.292 85 HA PRO 10 HA PRO 10 -0.831 15.437 -10.081 86 HB2 PRO 10 HB2 PRO 10 0.684 17.689 -10.100 87 HB3 PRO 10 HB3 PRO 10 -1.077 17.717 -9.954 88 HG2 PRO 10 HG2 PRO 10 1.005 17.955 -7.816 89 HG3 PRO 10 HG3 PRO 10 -0.492 18.881 -8.028 90 HD2 PRO 10 HD2 PRO 10 -0.282 16.834 -6.268 91 HD3 PRO 10 HD3 PRO 10 -1.799 17.221 -7.107 92 H LEU 11 H LEU 11 0.856 13.834 -8.231 93 HA LEU 11 HA LEU 11 3.413 14.103 -9.670 94 HB2 LEU 11 HB2 LEU 11 3.001 13.118 -6.851 95 HB3 LEU 11 HB3 LEU 11 4.543 13.219 -7.698 96 HG LEU 11 HG LEU 11 2.862 15.646 -7.129 97 HD11 LEU 11 HD11 LEU 11 3.800 14.101 -5.130 98 HD12 LEU 11 HD12 LEU 11 3.660 15.856 -5.036 99 HD13 LEU 11 HD13 LEU 11 5.209 15.116 -5.437 100 HD21 LEU 11 HD21 LEU 11 4.881 16.852 -7.528 101 HD22 LEU 11 HD22 LEU 11 4.652 15.733 -8.872 102 HD23 LEU 11 HD23 LEU 11 5.823 15.362 -7.604 103 H PHE 12 H PHE 12 1.009 11.947 -8.293 104 HA PHE 12 HA PHE 12 2.340 9.547 -9.131 105 HB2 PHE 12 HB2 PHE 12 0.440 10.034 -7.278 106 HB3 PHE 12 HB3 PHE 12 -0.576 9.485 -8.607 107 HD1 PHE 12 HD1 PHE 12 -0.988 7.236 -8.819 108 HD2 PHE 12 HD2 PHE 12 2.527 8.510 -6.785 109 HE1 PHE 12 HE1 PHE 12 -0.475 4.898 -8.249 110 HE2 PHE 12 HE2 PHE 12 3.046 6.175 -6.211 111 HZ PHE 12 HZ PHE 12 1.544 4.365 -6.944 112 H GLY 13 H GLY 13 0.441 11.887 -10.681 113 HA2 GLY 13 HA2 GLY 13 -0.134 10.006 -12.889 114 HA3 GLY 13 HA3 GLY 13 -1.163 11.374 -12.492 115 H LYS 14 H LYS 14 -0.498 13.473 -13.042 116 HA LYS 14 HA LYS 14 0.858 13.720 -15.474 117 HB2 LYS 14 HB2 LYS 14 0.835 16.171 -14.991 118 HB3 LYS 14 HB3 LYS 14 -0.731 15.393 -14.814 119 HG2 LYS 14 HG2 LYS 14 0.372 15.237 -12.284 120 HG3 LYS 14 HG3 LYS 14 0.859 16.830 -12.868 121 HD2 LYS 14 HD2 LYS 14 -1.972 15.885 -13.153 122 HD3 LYS 14 HD3 LYS 14 -1.401 16.590 -11.638 123 HE2 LYS 14 HE2 LYS 14 -0.509 18.479 -13.228 124 HE3 LYS 14 HE3 LYS 14 -1.743 17.852 -14.319 125 HZ1 LYS 14 HZ1 LYS 14 -2.944 19.395 -13.182 126 HZ2 LYS 14 HZ2 LYS 14 -2.055 19.226 -11.753 127 HZ3 LYS 14 HZ3 LYS 14 -3.209 18.063 -12.173 128 H GLY 15 H GLY 15 2.050 13.540 -12.257 129 HA2 GLY 15 HA2 GLY 15 4.404 14.983 -12.338 130 HA3 GLY 15 HA3 GLY 15 4.196 13.486 -11.442 131 H GLY 16 H GLY 16 3.644 11.984 -13.951 132 HA2 GLY 16 HA2 GLY 16 6.165 10.948 -14.435 133 HA3 GLY 16 HA3 GLY 16 4.804 10.794 -15.536 134 H1 LYS 1 H LYS 1 -2.025 11.070 -1.451 135 HA LYS 1 HA LYS 1 -1.969 8.700 0.293 136 HB2 LYS 1 HB2 LYS 1 -3.001 10.699 1.276 137 HB3 LYS 1 HB3 LYS 1 -4.131 10.784 -0.069 138 HG2 LYS 1 HG2 LYS 1 -5.490 9.275 0.842 139 HG3 LYS 1 HG3 LYS 1 -4.155 8.195 1.252 140 HD2 LYS 1 HD2 LYS 1 -3.688 10.001 3.102 141 HD3 LYS 1 HD3 LYS 1 -5.392 10.389 2.852 142 HE2 LYS 1 HE2 LYS 1 -5.371 8.813 4.593 143 HE3 LYS 1 HE3 LYS 1 -5.838 7.903 3.157 144 HZ1 LYS 1 HZ1 LYS 1 -4.171 6.753 4.520 145 HZ2 LYS 1 HZ2 LYS 1 -3.082 8.020 4.257 146 HZ3 LYS 1 HZ3 LYS 1 -3.607 7.073 2.957 147 H TYR 2 H TYR 2 -1.727 7.325 -1.593 148 HA TYR 2 HA TYR 2 -4.173 7.073 -3.205 149 HB2 TYR 2 HB2 TYR 2 -2.620 5.551 -4.615 150 HB3 TYR 2 HB3 TYR 2 -2.397 7.294 -4.704 151 HD1 TYR 2 HD1 TYR 2 -0.453 8.355 -3.655 152 HD2 TYR 2 HD2 TYR 2 -0.952 4.129 -3.607 153 HE1 TYR 2 HE1 TYR 2 1.909 8.089 -3.025 154 HE2 TYR 2 HE2 TYR 2 1.409 3.851 -2.976 155 HH TYR 2 HH TYR 2 3.573 5.277 -3.277 156 H GLU 3 H GLU 3 -4.887 6.104 -0.994 157 HA GLU 3 HA GLU 3 -4.316 3.213 -1.028 158 HB2 GLU 3 HB2 GLU 3 -4.920 5.080 1.251 159 HB3 GLU 3 HB3 GLU 3 -5.174 3.348 1.401 160 HG2 GLU 3 HG2 GLU 3 -2.537 4.290 0.423 161 HG3 GLU 3 HG3 GLU 3 -2.918 4.499 2.131 162 H ILE 4 H ILE 4 -6.516 5.322 -2.053 163 HA ILE 4 HA ILE 4 -8.786 3.550 -1.423 164 HB ILE 4 HB ILE 4 -8.934 6.499 -2.053 165 HG12 ILE 4 HG12 ILE 4 -9.926 6.031 0.515 166 HG13 ILE 4 HG13 ILE 4 -8.451 5.073 0.430 167 HG21 ILE 4 HG21 ILE 4 -11.288 6.265 -1.366 168 HG22 ILE 4 HG22 ILE 4 -10.900 5.293 -2.785 169 HG23 ILE 4 HG23 ILE 4 -11.049 4.526 -1.204 170 HD11 ILE 4 HD11 ILE 4 -7.659 7.447 -0.655 171 HD12 ILE 4 HD12 ILE 4 -8.809 7.958 0.580 172 HD13 ILE 4 HD13 ILE 4 -7.427 6.958 1.022 173 H THR 5 H THR 5 -7.102 5.410 -3.865 174 HA THR 5 HA THR 5 -8.935 4.482 -5.945 175 HB THR 5 HB THR 5 -6.828 5.915 -7.138 176 HG1 THR 5 HG1 THR 5 -7.766 7.174 -4.755 177 HG21 THR 5 HG21 THR 5 -8.883 7.718 -6.887 178 HG22 THR 5 HG22 THR 5 -9.707 6.170 -6.693 179 HG23 THR 5 HG23 THR 5 -8.752 6.486 -8.142 180 H THR 6 H THR 6 -6.286 3.311 -4.406 181 HA THR 6 HA THR 6 -5.363 1.864 -6.804 182 HB THR 6 HB THR 6 -3.788 3.472 -5.266 183 HG1 THR 6 HG1 THR 6 -3.321 2.396 -7.315 184 HG21 THR 6 HG21 THR 6 -4.082 1.881 -3.351 185 HG22 THR 6 HG22 THR 6 -2.406 2.138 -3.835 186 HG23 THR 6 HG23 THR 6 -3.247 0.662 -4.311 187 H ILE 7 H ILE 7 -6.370 1.676 -3.473 188 HA ILE 7 HA ILE 7 -5.636 -0.905 -2.796 189 HB ILE 7 HB ILE 7 -6.603 0.462 -1.112 190 HG12 ILE 7 HG12 ILE 7 -7.268 -2.122 -1.393 191 HG13 ILE 7 HG13 ILE 7 -7.820 -1.143 -0.038 192 HG21 ILE 7 HG21 ILE 7 -7.986 1.899 -2.446 193 HG22 ILE 7 HG22 ILE 7 -9.061 0.562 -2.852 194 HG23 ILE 7 HG23 ILE 7 -8.987 1.163 -1.195 195 HD11 ILE 7 HD11 ILE 7 -9.448 -1.354 -2.535 196 HD12 ILE 7 HD12 ILE 7 -9.520 -2.600 -1.289 197 HD13 ILE 7 HD13 ILE 7 -9.960 -0.938 -0.899 198 H HIS 8 H HIS 8 -8.449 0.201 -4.635 199 HA HIS 8 HA HIS 8 -9.190 -2.593 -5.146 200 HB2 HIS 8 HB2 HIS 8 -10.700 -0.196 -4.706 201 HB3 HIS 8 HB3 HIS 8 -11.079 -0.826 -6.307 202 HD1 HIS 8 HD1 HIS 8 -12.297 -1.027 -3.032 203 HD2 HIS 8 HD2 HIS 8 -11.553 -3.863 -5.977 204 HE1 HIS 8 HE1 HIS 8 -13.690 -3.026 -2.407 205 H ASN 9 H ASN 9 -7.345 -0.237 -6.491 206 HA ASN 9 HA ASN 9 -8.025 -0.970 -9.255 207 HB2 ASN 9 HB2 ASN 9 -7.806 1.496 -8.402 208 HB3 ASN 9 HB3 ASN 9 -6.076 1.197 -8.548 209 HD21 ASN 9 HD21 ASN 9 -5.714 2.577 -10.221 210 HD22 ASN 9 HD22 ASN 9 -6.343 2.334 -11.812 211 H LEU 10 H LEU 10 -6.165 -2.156 -6.947 212 HA LEU 10 HA LEU 10 -3.677 -2.397 -8.428 213 HB2 LEU 10 HB2 LEU 10 -2.754 -3.335 -6.510 214 HB3 LEU 10 HB3 LEU 10 -3.881 -2.124 -5.899 215 HG LEU 10 HG LEU 10 -5.487 -4.250 -5.803 216 HD11 LEU 10 HD11 LEU 10 -2.825 -5.340 -6.206 217 HD12 LEU 10 HD12 LEU 10 -4.397 -6.134 -6.275 218 HD13 LEU 10 HD13 LEU 10 -3.585 -5.925 -4.725 219 HD21 LEU 10 HD21 LEU 10 -4.422 -2.628 -3.998 220 HD22 LEU 10 HD22 LEU 10 -3.513 -4.084 -3.592 221 HD23 LEU 10 HD23 LEU 10 -5.277 -4.101 -3.542 222 H PHE 11 H PHE 11 -6.482 -4.325 -7.595 223 HA PHE 11 HA PHE 11 -5.600 -6.871 -8.211 224 HB2 PHE 11 HB2 PHE 11 -8.137 -5.556 -7.881 225 HB3 PHE 11 HB3 PHE 11 -8.224 -6.681 -9.233 226 HD1 PHE 11 HD1 PHE 11 -6.231 -6.970 -6.117 227 HD2 PHE 11 HD2 PHE 11 -9.513 -8.429 -8.402 228 HE1 PHE 11 HE1 PHE 11 -6.496 -8.839 -4.538 229 HE2 PHE 11 HE2 PHE 11 -9.782 -10.300 -6.825 230 HZ PHE 11 HZ PHE 11 -8.273 -10.505 -4.891 231 H ARG 12 H ARG 12 -7.127 -4.533 -10.426 232 HA ARG 12 HA ARG 12 -7.019 -6.025 -12.751 233 HB2 ARG 12 HB2 ARG 12 -6.754 -3.045 -12.343 234 HB3 ARG 12 HB3 ARG 12 -6.915 -3.791 -13.928 235 HG2 ARG 12 HG2 ARG 12 -9.116 -4.007 -13.706 236 HG3 ARG 12 HG3 ARG 12 -8.966 -4.687 -12.085 237 HD2 ARG 12 HD2 ARG 12 -8.670 -2.412 -11.187 238 HD3 ARG 12 HD3 ARG 12 -8.890 -1.760 -12.811 239 HE ARG 12 HE ARG 12 -10.934 -2.640 -11.022 240 HH11 ARG 12 HH11 ARG 12 -10.081 -2.332 -14.383 241 HH12 ARG 12 HH12 ARG 12 -11.723 -2.251 -14.928 242 HH21 ARG 12 HH21 ARG 12 -13.101 -2.533 -11.726 243 HH22 ARG 12 HH22 ARG 12 -13.441 -2.365 -13.415 244 H LYS 13 H LYS 13 -4.500 -4.099 -11.221 245 HA LYS 13 HA LYS 13 -2.585 -5.161 -13.195 246 HB2 LYS 13 HB2 LYS 13 -2.214 -2.579 -11.684 247 HB3 LYS 13 HB3 LYS 13 -1.319 -3.154 -13.084 248 HG2 LYS 13 HG2 LYS 13 -4.222 -2.350 -13.091 249 HG3 LYS 13 HG3 LYS 13 -2.878 -1.345 -13.639 250 HD2 LYS 13 HD2 LYS 13 -2.332 -3.337 -15.196 251 HD3 LYS 13 HD3 LYS 13 -3.988 -3.849 -14.858 252 HE2 LYS 13 HE2 LYS 13 -4.647 -1.458 -15.524 253 HE3 LYS 13 HE3 LYS 13 -3.030 -1.350 -16.218 254 HZ1 LYS 13 HZ1 LYS 13 -4.696 -2.028 -17.851 255 HZ2 LYS 13 HZ2 LYS 13 -5.058 -3.400 -16.930 256 HZ3 LYS 13 HZ3 LYS 13 -3.525 -3.229 -17.627 257 H LEU 14 H LEU 14 -2.981 -6.826 -11.228 258 HA LEU 14 HA LEU 14 -1.891 -6.576 -8.753 259 HB2 LEU 14 HB2 LEU 14 -1.317 -8.967 -8.869 260 HB3 LEU 14 HB3 LEU 14 -2.936 -8.616 -9.470 261 HG LEU 14 HG LEU 14 -1.506 -8.573 -11.778 262 HD11 LEU 14 HD11 LEU 14 -0.377 -11.048 -10.832 263 HD12 LEU 14 HD12 LEU 14 0.268 -9.677 -9.932 264 HD13 LEU 14 HD13 LEU 14 0.395 -9.715 -11.690 265 HD21 LEU 14 HD21 LEU 14 -3.107 -10.625 -10.343 266 HD22 LEU 14 HD22 LEU 14 -2.257 -11.110 -11.812 267 HD23 LEU 14 HD23 LEU 14 -3.431 -9.794 -11.865 268 H THR 15 H THR 15 -0.171 -6.829 -11.793 269 HA THR 15 HA THR 15 2.378 -7.466 -11.012 270 HB THR 15 HB THR 15 2.783 -5.406 -12.847 271 HG1 THR 15 HG1 THR 15 0.540 -6.817 -13.790 272 HG21 THR 15 HG21 THR 15 2.359 -8.371 -13.119 273 HG22 THR 15 HG22 THR 15 3.874 -7.469 -13.131 274 HG23 THR 15 HG23 THR 15 2.771 -7.359 -14.503 275 H HIS 16 H HIS 16 3.751 -6.630 -9.596 276 HA HIS 16 HA HIS 16 3.293 -3.958 -8.541 277 HB2 HIS 16 HB2 HIS 16 4.936 -6.316 -7.694 278 HB3 HIS 16 HB3 HIS 16 5.324 -4.718 -7.061 279 HD1 HIS 16 HD1 HIS 16 3.705 -7.518 -5.926 280 HD2 HIS 16 HD2 HIS 16 2.493 -3.556 -6.225 281 HE1 HIS 16 HE1 HIS 16 1.822 -7.265 -4.280 282 H ARG 17 H ARG 17 4.216 -4.120 -11.238 283 HA ARG 17 HA ARG 17 6.892 -2.916 -10.955 284 HB2 ARG 17 HB2 ARG 17 7.237 -3.608 -13.355 285 HB3 ARG 17 HB3 ARG 17 7.162 -4.928 -12.197 286 HG2 ARG 17 HG2 ARG 17 4.864 -5.386 -12.834 287 HG3 ARG 17 HG3 ARG 17 4.896 -4.030 -13.963 288 HD2 ARG 17 HD2 ARG 17 6.652 -6.480 -14.096 289 HD3 ARG 17 HD3 ARG 17 5.236 -6.174 -15.102 290 HE ARG 17 HE ARG 17 6.822 -4.009 -15.529 291 HH11 ARG 17 HH11 ARG 17 7.292 -7.451 -15.752 292 HH12 ARG 17 HH12 ARG 17 8.469 -7.339 -17.020 293 HH21 ARG 17 HH21 ARG 17 8.370 -3.849 -17.197 294 HH22 ARG 17 HH22 ARG 17 9.082 -5.290 -17.839 295 H LEU 18 H LEU 18 3.704 -2.697 -12.354 296 HA LEU 18 HA LEU 18 4.376 -0.209 -13.730 297 HB2 LEU 18 HB2 LEU 18 1.868 -0.404 -14.362 298 HB3 LEU 18 HB3 LEU 18 3.052 -1.461 -15.127 299 HG LEU 18 HG LEU 18 2.390 -3.289 -13.653 300 HD11 LEU 18 HD11 LEU 18 0.460 -3.065 -12.180 301 HD12 LEU 18 HD12 LEU 18 0.352 -1.349 -12.569 302 HD13 LEU 18 HD13 LEU 18 1.756 -1.968 -11.701 303 HD21 LEU 18 HD21 LEU 18 0.337 -3.795 -14.691 304 HD22 LEU 18 HD22 LEU 18 1.204 -2.770 -15.835 305 HD23 LEU 18 HD23 LEU 18 -0.094 -2.091 -14.851 306 H PHE 19 H PHE 19 4.198 -0.561 -10.746 307 HA PHE 19 HA PHE 19 2.131 1.474 -10.225 308 HB2 PHE 19 HB2 PHE 19 1.851 -0.793 -9.112 309 HB3 PHE 19 HB3 PHE 19 3.293 -0.412 -8.175 310 HD1 PHE 19 HD1 PHE 19 0.446 1.762 -9.176 311 HD2 PHE 19 HD2 PHE 19 2.571 -0.113 -5.999 312 HE1 PHE 19 HE1 PHE 19 -0.941 2.969 -7.541 313 HE2 PHE 19 HE2 PHE 19 1.188 1.091 -4.360 314 HZ PHE 19 HZ PHE 19 -0.571 2.633 -5.129 315 H ARG 20 H ARG 20 5.430 0.440 -9.559 316 HA ARG 20 HA ARG 20 5.975 3.061 -8.337 317 HB2 ARG 20 HB2 ARG 20 7.988 2.022 -7.389 318 HB3 ARG 20 HB3 ARG 20 6.531 1.162 -6.910 319 HG2 ARG 20 HG2 ARG 20 6.979 -0.539 -8.609 320 HG3 ARG 20 HG3 ARG 20 8.445 0.325 -9.079 321 HD2 ARG 20 HD2 ARG 20 8.402 -0.121 -6.238 322 HD3 ARG 20 HD3 ARG 20 8.176 -1.641 -7.101 323 HE ARG 20 HE ARG 20 10.578 -0.138 -6.906 324 HH11 ARG 20 HH11 ARG 20 8.745 -2.170 -9.059 325 HH12 ARG 20 HH12 ARG 20 10.135 -2.715 -9.938 326 HH21 ARG 20 HH21 ARG 20 12.416 -0.849 -8.056 327 HH22 ARG 20 HH22 ARG 20 12.222 -1.964 -9.366 328 H ARG 21 H ARG 21 6.901 0.859 -10.895 329 HA ARG 21 HA ARG 21 9.119 2.494 -11.762 330 HB2 ARG 21 HB2 ARG 21 8.631 -0.133 -12.021 331 HB3 ARG 21 HB3 ARG 21 7.981 0.422 -13.557 332 HG2 ARG 21 HG2 ARG 21 10.017 0.552 -14.408 333 HG3 ARG 21 HG3 ARG 21 10.514 1.657 -13.125 334 HD2 ARG 21 HD2 ARG 21 11.982 -0.070 -12.783 335 HD3 ARG 21 HD3 ARG 21 10.663 -0.553 -11.717 336 HE ARG 21 HE ARG 21 10.106 -1.732 -14.129 337 HH11 ARG 21 HH11 ARG 21 12.759 -1.784 -11.876 338 HH12 ARG 21 HH12 ARG 21 13.230 -3.404 -12.269 339 HH21 ARG 21 HH21 ARG 21 10.716 -3.866 -14.654 340 HH22 ARG 21 HH22 ARG 21 12.068 -4.587 -13.849 341 H ASN 22 H ASN 22 5.781 2.574 -12.142 342 HA ASN 22 HA ASN 22 6.034 4.216 -14.577 343 HB2 ASN 22 HB2 ASN 22 4.746 2.011 -14.776 344 HB3 ASN 22 HB3 ASN 22 3.519 2.764 -13.760 345 HD21 ASN 22 HD21 ASN 22 2.877 1.895 -16.250 346 HD22 ASN 22 HD22 ASN 22 2.580 3.242 -17.290 347 H PHE 23 H PHE 23 3.757 3.693 -11.876 348 HA PHE 23 HA PHE 23 3.056 6.512 -11.909 349 HB2 PHE 23 HB2 PHE 23 2.043 4.267 -10.151 350 HB3 PHE 23 HB3 PHE 23 1.373 5.894 -10.228 351 HD1 PHE 23 HD1 PHE 23 0.783 6.647 -12.736 352 HD2 PHE 23 HD2 PHE 23 0.941 2.638 -11.316 353 HE1 PHE 23 HE1 PHE 23 -0.713 5.946 -14.560 354 HE2 PHE 23 HE2 PHE 23 -0.553 1.931 -13.138 355 HZ PHE 23 HZ PHE 23 -1.381 3.585 -14.763 356 H GLY 24 H GLY 24 5.601 4.952 -10.735 357 HA2 GLY 24 HA2 GLY 24 5.690 6.574 -8.264 358 HA3 GLY 24 HA3 GLY 24 6.451 4.996 -8.405 359 H TYR 25 H TYR 25 7.285 5.701 -11.215 360 HA TYR 25 HA TYR 25 9.899 6.467 -10.703 361 HB2 TYR 25 HB2 TYR 25 8.620 5.556 -12.886 362 HB3 TYR 25 HB3 TYR 25 8.771 7.251 -13.335 363 HD1 TYR 25 HD1 TYR 25 10.880 8.181 -13.952 364 HD2 TYR 25 HD2 TYR 25 10.654 4.198 -12.471 365 HE1 TYR 25 HE1 TYR 25 13.199 7.787 -14.674 366 HE2 TYR 25 HE2 TYR 25 12.972 3.793 -13.187 367 HH TYR 25 HH TYR 25 14.710 4.602 -14.341 368 H THR 26 H THR 26 7.057 8.412 -11.111 369 HA THR 26 HA THR 26 8.089 10.862 -11.860 370 HB THR 26 HB THR 26 6.177 11.898 -10.865 371 HG1 THR 26 HG1 THR 26 6.043 11.134 -8.823 372 HG21 THR 26 HG21 THR 26 4.980 9.240 -11.428 373 HG22 THR 26 HG22 THR 26 5.954 9.977 -12.701 374 HG23 THR 26 HG23 THR 26 4.552 10.831 -12.056 375 H LEU 27 H LEU 27 7.992 9.397 -8.643 376 HA LEU 27 HA LEU 27 9.744 11.564 -7.684 377 HB2 LEU 27 HB2 LEU 27 7.696 9.922 -6.214 378 HB3 LEU 27 HB3 LEU 27 8.899 10.919 -5.399 379 HG LEU 27 HG LEU 27 7.172 12.243 -7.418 380 HD11 LEU 27 HD11 LEU 27 5.410 12.580 -5.711 381 HD12 LEU 27 HD12 LEU 27 6.197 11.364 -4.705 382 HD13 LEU 27 HD13 LEU 27 5.530 10.912 -6.274 383 HD21 LEU 27 HD21 LEU 27 7.230 13.960 -5.500 384 HD22 LEU 27 HD22 LEU 27 8.709 13.674 -6.417 385 HD23 LEU 27 HD23 LEU 27 8.503 12.942 -4.826 386 H ARG 28 H ARG 28 11.628 10.466 -8.354 387 HA ARG 28 HA ARG 28 12.204 7.954 -6.939 388 HB2 ARG 28 HB2 ARG 28 12.880 8.989 -9.583 389 HB3 ARG 28 HB3 ARG 28 14.283 8.378 -8.717 390 HG2 ARG 28 HG2 ARG 28 11.742 6.825 -9.153 391 HG3 ARG 28 HG3 ARG 28 13.189 6.694 -10.156 392 HD2 ARG 28 HD2 ARG 28 13.892 6.432 -7.389 393 HD3 ARG 28 HD3 ARG 28 12.595 5.305 -7.783 394 HE ARG 28 HE ARG 28 15.318 5.214 -8.712 395 HH11 ARG 28 HH11 ARG 28 12.036 4.227 -9.323 396 HH12 ARG 28 HH12 ARG 28 12.489 2.859 -10.287 397 HH21 ARG 28 HH21 ARG 28 15.926 3.418 -9.979 398 HH22 ARG 28 HH22 ARG 28 14.702 2.400 -10.658
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