NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
494539 | 2kro | 16643 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -9.824 -3.456 -0.781 2 H2 GLY 1 H2 GLY 1 -10.205 -4.438 0.542 3 H3 GLY 1 H3 GLY 1 -9.746 -2.829 0.789 4 HA2 GLY 1 HA2 GLY 1 -11.734 -2.052 -0.345 5 HA3 GLY 1 HA3 GLY 1 -12.209 -3.722 -0.610 6 H ALA 2 H ALA 2 -12.622 -5.083 1.277 7 HA ALA 2 HA ALA 2 -13.618 -5.492 3.290 8 HB1 ALA 2 HB1 ALA 2 -11.701 -4.355 4.286 9 HB2 ALA 2 HB2 ALA 2 -13.173 -4.053 5.211 10 HB3 ALA 2 HB3 ALA 2 -12.534 -2.807 4.140 11 H MET 3 H MET 3 -14.118 -1.919 3.356 12 HA MET 3 HA MET 3 -17.034 -2.536 3.172 13 HB2 MET 3 HB2 MET 3 -16.079 -1.620 5.366 14 HB3 MET 3 HB3 MET 3 -15.869 -0.101 4.506 15 HG2 MET 3 HG2 MET 3 -18.158 0.220 4.257 16 HG3 MET 3 HG3 MET 3 -18.525 -1.476 4.566 17 HE1 MET 3 HE1 MET 3 -17.341 1.920 6.154 18 HE2 MET 3 HE2 MET 3 -16.053 0.805 6.610 19 HE3 MET 3 HE3 MET 3 -17.129 1.461 7.843 20 H GLY 4 H GLY 4 -15.818 -2.317 0.730 21 HA2 GLY 4 HA2 GLY 4 -17.261 -0.371 -0.585 22 HA3 GLY 4 HA3 GLY 4 -15.796 0.476 -0.121 23 H ALA 5 H ALA 5 -16.043 0.593 -2.621 24 HA ALA 5 HA ALA 5 -14.829 -1.812 -3.885 25 HB1 ALA 5 HB1 ALA 5 -15.565 -0.875 -5.993 26 HB2 ALA 5 HB2 ALA 5 -16.142 0.574 -5.168 27 HB3 ALA 5 HB3 ALA 5 -16.909 -0.983 -4.857 28 H LYS 6 H LYS 6 -14.121 1.522 -2.997 29 HA LYS 6 HA LYS 6 -11.547 1.205 -4.442 30 HB2 LYS 6 HB2 LYS 6 -13.443 3.496 -4.479 31 HB3 LYS 6 HB3 LYS 6 -11.722 3.853 -4.500 32 HG2 LYS 6 HG2 LYS 6 -13.037 1.984 -6.456 33 HG3 LYS 6 HG3 LYS 6 -12.840 3.713 -6.745 34 HD2 LYS 6 HD2 LYS 6 -10.928 2.993 -7.741 35 HD3 LYS 6 HD3 LYS 6 -10.321 3.124 -6.091 36 HE2 LYS 6 HE2 LYS 6 -10.720 0.740 -5.747 37 HE3 LYS 6 HE3 LYS 6 -11.369 0.603 -7.379 38 HZ1 LYS 6 HZ1 LYS 6 -8.588 1.395 -6.695 39 HZ2 LYS 6 HZ2 LYS 6 -9.212 1.219 -8.257 40 HZ3 LYS 6 HZ3 LYS 6 -9.065 -0.131 -7.250 41 H GLU 7 H GLU 7 -9.743 1.464 -3.261 42 HA GLU 7 HA GLU 7 -10.099 2.835 -0.636 43 HB2 GLU 7 HB2 GLU 7 -8.386 0.409 -1.218 44 HB3 GLU 7 HB3 GLU 7 -8.450 1.256 0.320 45 HG2 GLU 7 HG2 GLU 7 -10.801 -0.109 -0.970 46 HG3 GLU 7 HG3 GLU 7 -9.765 -0.842 0.252 47 H TYR 8 H TYR 8 -8.748 4.506 -0.284 48 HA TYR 8 HA TYR 8 -6.300 4.597 -1.966 49 HB2 TYR 8 HB2 TYR 8 -7.949 7.008 -1.177 50 HB3 TYR 8 HB3 TYR 8 -6.546 6.993 -2.234 51 HD1 TYR 8 HD1 TYR 8 -10.116 6.183 -1.963 52 HD2 TYR 8 HD2 TYR 8 -6.729 6.280 -4.536 53 HE1 TYR 8 HE1 TYR 8 -11.593 5.906 -3.908 54 HE2 TYR 8 HE2 TYR 8 -8.196 6.002 -6.489 55 HH TYR 8 HH TYR 8 -10.434 5.142 -7.013 56 H CYS 9 H CYS 9 -4.385 5.125 -0.826 57 HA CYS 9 HA CYS 9 -4.817 6.104 1.935 58 HB2 CYS 9 HB2 CYS 9 -2.921 4.630 2.680 59 HB3 CYS 9 HB3 CYS 9 -4.385 3.770 2.221 60 HG CYS 9 HG CYS 9 -3.412 2.956 -0.262 61 H ARG 10 H ARG 10 -3.334 7.625 2.699 62 HA ARG 10 HA ARG 10 -1.516 8.627 0.581 63 HB2 ARG 10 HB2 ARG 10 -3.198 10.191 1.541 64 HB3 ARG 10 HB3 ARG 10 -2.454 9.978 3.119 65 HG2 ARG 10 HG2 ARG 10 -0.548 11.156 2.525 66 HG3 ARG 10 HG3 ARG 10 -0.829 10.934 0.797 67 HD2 ARG 10 HD2 ARG 10 -1.279 13.242 1.557 68 HD3 ARG 10 HD3 ARG 10 -2.693 12.458 0.857 69 HE ARG 10 HE ARG 10 -2.434 12.313 3.784 70 HH11 ARG 10 HH11 ARG 10 -3.871 13.955 0.991 71 HH12 ARG 10 HH12 ARG 10 -5.155 14.657 1.915 72 HH21 ARG 10 HH21 ARG 10 -4.143 13.257 4.958 73 HH22 ARG 10 HH22 ARG 10 -5.309 14.263 4.166 74 H THR 11 H THR 11 0.656 8.554 0.800 75 HA THR 11 HA THR 11 1.668 7.041 3.078 76 HB THR 11 HB THR 11 3.887 7.310 1.943 77 HG1 THR 11 HG1 THR 11 3.961 8.325 -0.034 78 HG21 THR 11 HG21 THR 11 2.528 5.354 1.494 79 HG22 THR 11 HG22 THR 11 3.305 5.885 0.002 80 HG23 THR 11 HG23 THR 11 1.601 6.240 0.284 81 H LEU 12 H LEU 12 2.959 7.707 4.718 82 HA LEU 12 HA LEU 12 3.389 10.600 4.887 83 HB2 LEU 12 HB2 LEU 12 3.371 9.997 7.476 84 HB3 LEU 12 HB3 LEU 12 1.956 10.540 6.599 85 HG LEU 12 HG LEU 12 1.917 7.797 6.219 86 HD11 LEU 12 HD11 LEU 12 2.129 6.858 8.475 87 HD12 LEU 12 HD12 LEU 12 2.779 8.397 9.041 88 HD13 LEU 12 HD13 LEU 12 3.668 7.449 7.848 89 HD21 LEU 12 HD21 LEU 12 0.522 9.463 8.307 90 HD22 LEU 12 HD22 LEU 12 0.025 7.855 7.780 91 HD23 LEU 12 HD23 LEU 12 -0.008 9.204 6.644 92 H PHE 13 H PHE 13 4.927 7.670 4.648 93 HA PHE 13 HA PHE 13 7.464 8.909 5.456 94 HB2 PHE 13 HB2 PHE 13 6.292 6.476 6.778 95 HB3 PHE 13 HB3 PHE 13 8.037 6.660 6.640 96 HD1 PHE 13 HD1 PHE 13 8.773 9.222 7.293 97 HD2 PHE 13 HD2 PHE 13 5.435 7.065 8.816 98 HE1 PHE 13 HE1 PHE 13 8.791 10.628 9.311 99 HE2 PHE 13 HE2 PHE 13 5.446 8.469 10.836 100 HZ PHE 13 HZ PHE 13 7.125 10.253 11.086 101 HA PRO 14 HA PRO 14 8.736 6.633 1.909 102 HB2 PRO 14 HB2 PRO 14 11.423 6.589 2.225 103 HB3 PRO 14 HB3 PRO 14 10.540 8.080 1.877 104 HG2 PRO 14 HG2 PRO 14 11.625 7.080 4.474 105 HG3 PRO 14 HG3 PRO 14 11.598 8.731 3.831 106 HD2 PRO 14 HD2 PRO 14 9.812 7.740 5.688 107 HD3 PRO 14 HD3 PRO 14 9.494 9.122 4.624 108 H TYR 15 H TYR 15 8.847 4.542 1.338 109 HA TYR 15 HA TYR 15 9.970 2.591 3.296 110 HB2 TYR 15 HB2 TYR 15 7.500 2.579 3.398 111 HB3 TYR 15 HB3 TYR 15 7.433 2.293 1.664 112 HD1 TYR 15 HD1 TYR 15 8.762 0.807 4.813 113 HD2 TYR 15 HD2 TYR 15 7.342 0.111 0.864 114 HE1 TYR 15 HE1 TYR 15 8.813 -1.615 5.228 115 HE2 TYR 15 HE2 TYR 15 7.389 -2.314 1.268 116 HH TYR 15 HH TYR 15 8.645 -3.899 2.824 117 H THR 16 H THR 16 11.473 1.298 2.465 118 HA THR 16 HA THR 16 11.651 1.182 -0.507 119 HB THR 16 HB THR 16 13.834 0.626 1.523 120 HG1 THR 16 HG1 THR 16 13.350 2.910 -0.123 121 HG21 THR 16 HG21 THR 16 13.932 0.895 -1.485 122 HG22 THR 16 HG22 THR 16 14.147 -0.595 -0.567 123 HG23 THR 16 HG23 THR 16 15.330 0.705 -0.428 124 H GLY 17 H GLY 17 11.113 -0.721 -1.459 125 HA2 GLY 17 HA2 GLY 17 10.446 -3.013 0.139 126 HA3 GLY 17 HA3 GLY 17 10.543 -2.953 -1.614 127 H THR 18 H THR 18 11.629 -4.640 0.886 128 HA THR 18 HA THR 18 14.481 -4.696 0.251 129 HB THR 18 HB THR 18 14.543 -6.606 1.865 130 HG1 THR 18 HG1 THR 18 12.723 -7.385 2.707 131 HG21 THR 18 HG21 THR 18 14.032 -5.253 3.850 132 HG22 THR 18 HG22 THR 18 13.148 -4.109 2.839 133 HG23 THR 18 HG23 THR 18 14.888 -4.310 2.629 134 H ASN 19 H ASN 19 11.588 -6.565 -0.450 135 HA ASN 19 HA ASN 19 13.187 -8.514 -2.117 136 HB2 ASN 19 HB2 ASN 19 10.337 -8.561 -1.015 137 HB3 ASN 19 HB3 ASN 19 11.005 -9.768 -2.106 138 HD21 ASN 19 HD21 ASN 19 11.071 -8.410 1.110 139 HD22 ASN 19 HD22 ASN 19 11.986 -9.761 1.866 140 H GLU 20 H GLU 20 12.402 -9.021 -4.216 141 HA GLU 20 HA GLU 20 11.777 -6.761 -5.812 142 HB2 GLU 20 HB2 GLU 20 11.523 -8.376 -7.655 143 HB3 GLU 20 HB3 GLU 20 12.967 -8.680 -6.700 144 HG2 GLU 20 HG2 GLU 20 11.525 -10.396 -5.443 145 HG3 GLU 20 HG3 GLU 20 10.420 -10.248 -6.809 146 H ASP 21 H ASP 21 9.688 -8.994 -4.118 147 HA ASP 21 HA ASP 21 7.337 -8.237 -5.724 148 HB2 ASP 21 HB2 ASP 21 6.161 -9.895 -4.538 149 HB3 ASP 21 HB3 ASP 21 7.778 -10.563 -4.729 150 H GLU 22 H GLU 22 9.054 -7.069 -3.015 151 HA GLU 22 HA GLU 22 6.784 -5.980 -1.579 152 HB2 GLU 22 HB2 GLU 22 9.500 -6.395 -1.067 153 HB3 GLU 22 HB3 GLU 22 9.309 -4.648 -1.063 154 HG2 GLU 22 HG2 GLU 22 7.772 -4.707 0.699 155 HG3 GLU 22 HG3 GLU 22 7.488 -6.437 0.505 156 H LEU 23 H LEU 23 6.100 -3.836 -1.425 157 HA LEU 23 HA LEU 23 6.506 -2.318 -3.924 158 HB2 LEU 23 HB2 LEU 23 4.390 -2.665 -2.081 159 HB3 LEU 23 HB3 LEU 23 4.859 -0.981 -1.959 160 HG LEU 23 HG LEU 23 4.167 -2.329 -4.578 161 HD11 LEU 23 HD11 LEU 23 2.011 -1.173 -4.407 162 HD12 LEU 23 HD12 LEU 23 2.424 -0.654 -2.773 163 HD13 LEU 23 HD13 LEU 23 2.220 -2.369 -3.128 164 HD21 LEU 23 HD21 LEU 23 3.805 0.100 -5.221 165 HD22 LEU 23 HD22 LEU 23 5.474 -0.417 -4.999 166 HD23 LEU 23 HD23 LEU 23 4.666 0.516 -3.739 167 H THR 24 H THR 24 7.124 -0.112 -4.038 168 HA THR 24 HA THR 24 8.629 0.827 -1.632 169 HB THR 24 HB THR 24 9.606 1.000 -4.514 170 HG1 THR 24 HG1 THR 24 10.119 -1.013 -3.892 171 HG21 THR 24 HG21 THR 24 10.285 2.956 -3.231 172 HG22 THR 24 HG22 THR 24 11.672 1.906 -3.523 173 HG23 THR 24 HG23 THR 24 10.894 1.920 -1.941 174 H PHE 25 H PHE 25 8.536 3.082 -1.260 175 HA PHE 25 HA PHE 25 7.524 4.903 -3.262 176 HB2 PHE 25 HB2 PHE 25 5.401 5.462 -2.048 177 HB3 PHE 25 HB3 PHE 25 5.398 3.874 -2.807 178 HD1 PHE 25 HD1 PHE 25 5.710 5.649 0.413 179 HD2 PHE 25 HD2 PHE 25 5.149 1.901 -1.524 180 HE1 PHE 25 HE1 PHE 25 5.133 4.623 2.572 181 HE2 PHE 25 HE2 PHE 25 4.568 0.869 0.633 182 HZ PHE 25 HZ PHE 25 4.560 2.231 2.684 183 H ARG 26 H ARG 26 7.052 7.112 -2.323 184 HA ARG 26 HA ARG 26 8.813 7.546 0.032 185 HB2 ARG 26 HB2 ARG 26 9.443 9.625 -0.849 186 HB3 ARG 26 HB3 ARG 26 9.343 8.602 -2.274 187 HG2 ARG 26 HG2 ARG 26 6.952 9.491 -2.510 188 HG3 ARG 26 HG3 ARG 26 7.446 10.731 -1.358 189 HD2 ARG 26 HD2 ARG 26 7.831 11.715 -3.433 190 HD3 ARG 26 HD3 ARG 26 9.422 11.135 -2.941 191 HE ARG 26 HE ARG 26 8.351 9.051 -4.415 192 HH11 ARG 26 HH11 ARG 26 9.022 12.479 -5.001 193 HH12 ARG 26 HH12 ARG 26 9.277 12.262 -6.699 194 HH21 ARG 26 HH21 ARG 26 8.691 8.812 -6.655 195 HH22 ARG 26 HH22 ARG 26 9.089 10.180 -7.639 196 H GLU 27 H GLU 27 8.105 9.671 1.337 197 HA GLU 27 HA GLU 27 5.344 9.246 2.068 198 HB2 GLU 27 HB2 GLU 27 5.738 11.061 3.687 199 HB3 GLU 27 HB3 GLU 27 6.987 9.830 3.757 200 HG2 GLU 27 HG2 GLU 27 7.610 12.051 1.962 201 HG3 GLU 27 HG3 GLU 27 7.416 12.518 3.650 202 H GLY 28 H GLY 28 3.567 10.185 1.343 203 HA2 GLY 28 HA2 GLY 28 2.329 12.151 0.695 204 HA3 GLY 28 HA3 GLY 28 3.803 12.858 0.048 205 H GLU 29 H GLU 29 1.753 9.940 -0.390 206 HA GLU 29 HA GLU 29 1.443 10.472 -3.244 207 HB2 GLU 29 HB2 GLU 29 3.030 8.040 -2.352 208 HB3 GLU 29 HB3 GLU 29 2.484 8.374 -3.988 209 HG2 GLU 29 HG2 GLU 29 3.906 10.405 -3.991 210 HG3 GLU 29 HG3 GLU 29 4.519 9.929 -2.408 211 H ILE 30 H ILE 30 -0.488 9.599 -3.902 212 HA ILE 30 HA ILE 30 -1.968 8.079 -1.878 213 HB ILE 30 HB ILE 30 -2.856 8.955 -4.629 214 HG12 ILE 30 HG12 ILE 30 -2.267 10.892 -3.269 215 HG13 ILE 30 HG13 ILE 30 -4.014 10.794 -3.457 216 HG21 ILE 30 HG21 ILE 30 -5.130 8.643 -3.727 217 HG22 ILE 30 HG22 ILE 30 -4.430 7.976 -2.252 218 HG23 ILE 30 HG23 ILE 30 -4.209 7.141 -3.790 219 HD11 ILE 30 HD11 ILE 30 -3.417 11.422 -1.198 220 HD12 ILE 30 HD12 ILE 30 -2.442 9.962 -1.028 221 HD13 ILE 30 HD13 ILE 30 -4.191 9.837 -1.212 222 H ILE 31 H ILE 31 -2.141 5.979 -1.764 223 HA ILE 31 HA ILE 31 -1.296 4.361 -4.128 224 HB ILE 31 HB ILE 31 -1.317 3.541 -1.223 225 HG12 ILE 31 HG12 ILE 31 0.366 5.405 -2.187 226 HG13 ILE 31 HG13 ILE 31 0.832 4.250 -0.947 227 HG21 ILE 31 HG21 ILE 31 0.134 1.691 -2.023 228 HG22 ILE 31 HG22 ILE 31 -0.181 2.217 -3.677 229 HG23 ILE 31 HG23 ILE 31 -1.507 1.641 -2.667 230 HD11 ILE 31 HD11 ILE 31 1.911 2.861 -2.580 231 HD12 ILE 31 HD12 ILE 31 2.502 4.516 -2.738 232 HD13 ILE 31 HD13 ILE 31 1.326 3.886 -3.891 233 H HIS 32 H HIS 32 -2.505 2.636 -4.816 234 HA HIS 32 HA HIS 32 -5.313 2.653 -3.902 235 HB2 HIS 32 HB2 HIS 32 -4.002 1.192 -6.211 236 HB3 HIS 32 HB3 HIS 32 -5.732 1.245 -5.883 237 HD1 HIS 32 HD1 HIS 32 -3.654 2.529 -8.272 238 HD2 HIS 32 HD2 HIS 32 -6.246 4.393 -5.553 239 HE1 HIS 32 HE1 HIS 32 -4.199 4.807 -9.246 240 HE2 HIS 32 HE2 HIS 32 -5.787 5.931 -7.610 241 H LEU 33 H LEU 33 -6.168 1.166 -2.563 242 HA LEU 33 HA LEU 33 -4.389 -1.045 -1.731 243 HB2 LEU 33 HB2 LEU 33 -5.716 0.533 -0.157 244 HB3 LEU 33 HB3 LEU 33 -7.097 -0.458 -0.579 245 HG LEU 33 HG LEU 33 -4.570 -1.537 0.668 246 HD11 LEU 33 HD11 LEU 33 -7.215 -0.867 1.950 247 HD12 LEU 33 HD12 LEU 33 -5.693 -0.011 2.197 248 HD13 LEU 33 HD13 LEU 33 -5.862 -1.682 2.735 249 HD21 LEU 33 HD21 LEU 33 -6.087 -3.473 1.174 250 HD22 LEU 33 HD22 LEU 33 -5.691 -3.257 -0.529 251 HD23 LEU 33 HD23 LEU 33 -7.265 -2.747 0.080 252 H ILE 34 H ILE 34 -4.544 -3.001 -2.500 253 HA ILE 34 HA ILE 34 -6.885 -3.684 -4.169 254 HB ILE 34 HB ILE 34 -4.282 -5.174 -3.812 255 HG12 ILE 34 HG12 ILE 34 -3.885 -2.976 -4.794 256 HG13 ILE 34 HG13 ILE 34 -3.671 -4.227 -6.011 257 HG21 ILE 34 HG21 ILE 34 -6.494 -5.499 -5.833 258 HG22 ILE 34 HG22 ILE 34 -6.032 -6.645 -4.573 259 HG23 ILE 34 HG23 ILE 34 -4.929 -6.309 -5.908 260 HD11 ILE 34 HD11 ILE 34 -4.841 -2.305 -6.916 261 HD12 ILE 34 HD12 ILE 34 -6.096 -2.474 -5.689 262 HD13 ILE 34 HD13 ILE 34 -5.884 -3.727 -6.912 263 H SER 35 H SER 35 -4.998 -5.066 -1.439 264 HA SER 35 HA SER 35 -7.483 -6.427 -0.543 265 HB2 SER 35 HB2 SER 35 -4.925 -7.884 -1.291 266 HB3 SER 35 HB3 SER 35 -6.173 -8.589 -0.265 267 HG SER 35 HG SER 35 -7.489 -8.753 -1.946 268 H LYS 36 H LYS 36 -7.687 -6.025 1.593 269 HA LYS 36 HA LYS 36 -5.392 -5.125 3.094 270 HB2 LYS 36 HB2 LYS 36 -8.229 -5.736 3.942 271 HB3 LYS 36 HB3 LYS 36 -7.013 -5.107 5.043 272 HG2 LYS 36 HG2 LYS 36 -6.941 -3.034 3.964 273 HG3 LYS 36 HG3 LYS 36 -7.736 -3.659 2.518 274 HD2 LYS 36 HD2 LYS 36 -9.799 -3.993 3.808 275 HD3 LYS 36 HD3 LYS 36 -9.002 -3.345 5.241 276 HE2 LYS 36 HE2 LYS 36 -9.289 -1.793 2.678 277 HE3 LYS 36 HE3 LYS 36 -10.493 -1.750 3.964 278 HZ1 LYS 36 HZ1 LYS 36 -8.781 -0.938 5.477 279 HZ2 LYS 36 HZ2 LYS 36 -8.964 0.097 4.152 280 HZ3 LYS 36 HZ3 LYS 36 -7.643 -0.955 4.225 281 H GLU 37 H GLU 37 -6.804 -8.185 2.444 282 HA GLU 37 HA GLU 37 -5.114 -9.403 4.615 283 HB2 GLU 37 HB2 GLU 37 -7.610 -9.745 4.868 284 HB3 GLU 37 HB3 GLU 37 -7.598 -10.623 3.344 285 HG2 GLU 37 HG2 GLU 37 -7.548 -12.097 5.315 286 HG3 GLU 37 HG3 GLU 37 -6.148 -12.306 4.264 287 H THR 38 H THR 38 -3.270 -9.999 3.714 288 HA THR 38 HA THR 38 -3.437 -11.293 1.023 289 HB THR 38 HB THR 38 -1.084 -10.745 0.728 290 HG1 THR 38 HG1 THR 38 -0.046 -10.684 2.605 291 HG21 THR 38 HG21 THR 38 -1.236 -8.316 0.665 292 HG22 THR 38 HG22 THR 38 -2.602 -8.353 1.779 293 HG23 THR 38 HG23 THR 38 -2.766 -9.033 0.159 294 H GLY 39 H GLY 39 -3.487 -12.282 4.121 295 HA2 GLY 39 HA2 GLY 39 -3.253 -14.651 4.599 296 HA3 GLY 39 HA3 GLY 39 -1.901 -14.728 3.478 297 H GLU 40 H GLU 40 -1.569 -11.884 5.100 298 HA GLU 40 HA GLU 40 -0.140 -13.037 7.441 299 HB2 GLU 40 HB2 GLU 40 0.998 -10.925 5.577 300 HB3 GLU 40 HB3 GLU 40 1.753 -11.533 7.042 301 HG2 GLU 40 HG2 GLU 40 1.930 -13.752 6.015 302 HG3 GLU 40 HG3 GLU 40 1.210 -13.111 4.538 303 H ALA 41 H ALA 41 -0.395 -11.839 9.269 304 HA ALA 41 HA ALA 41 -2.438 -9.802 9.192 305 HB1 ALA 41 HB1 ALA 41 -2.087 -9.620 11.598 306 HB2 ALA 41 HB2 ALA 41 -0.601 -10.561 11.471 307 HB3 ALA 41 HB3 ALA 41 -2.155 -11.314 11.112 308 H GLY 42 H GLY 42 -2.330 -7.615 9.238 309 HA2 GLY 42 HA2 GLY 42 -1.334 -5.519 9.418 310 HA3 GLY 42 HA3 GLY 42 0.177 -6.277 9.877 311 H TRP 43 H TRP 43 -0.599 -7.851 7.067 312 HA TRP 43 HA TRP 43 1.093 -5.942 5.579 313 HB2 TRP 43 HB2 TRP 43 0.461 -8.860 5.155 314 HB3 TRP 43 HB3 TRP 43 1.251 -7.891 3.916 315 HD1 TRP 43 HD1 TRP 43 1.849 -9.133 7.522 316 HE1 TRP 43 HE1 TRP 43 4.406 -9.251 7.954 317 HE3 TRP 43 HE3 TRP 43 3.445 -7.078 3.123 318 HZ2 TRP 43 HZ2 TRP 43 6.758 -8.538 6.549 319 HZ3 TRP 43 HZ3 TRP 43 5.863 -6.829 2.743 320 HH2 TRP 43 HH2 TRP 43 7.485 -7.544 4.423 321 H TRP 44 H TRP 44 0.484 -4.853 3.818 322 HA TRP 44 HA TRP 44 -2.271 -5.403 2.783 323 HB2 TRP 44 HB2 TRP 44 -0.918 -2.817 3.507 324 HB3 TRP 44 HB3 TRP 44 -2.060 -2.828 2.170 325 HD1 TRP 44 HD1 TRP 44 -3.177 -5.221 4.756 326 HE1 TRP 44 HE1 TRP 44 -5.083 -4.214 6.195 327 HE3 TRP 44 HE3 TRP 44 -2.735 -0.343 3.277 328 HZ2 TRP 44 HZ2 TRP 44 -6.213 -1.663 6.603 329 HZ3 TRP 44 HZ3 TRP 44 -4.278 1.319 4.244 330 HH2 TRP 44 HH2 TRP 44 -5.978 0.668 5.872 331 H LYS 45 H LYS 45 -2.680 -5.121 0.627 332 HA LYS 45 HA LYS 45 -0.188 -5.103 -1.032 333 HB2 LYS 45 HB2 LYS 45 -1.293 -7.304 -1.061 334 HB3 LYS 45 HB3 LYS 45 -2.812 -6.559 -1.544 335 HG2 LYS 45 HG2 LYS 45 -1.709 -5.788 -3.631 336 HG3 LYS 45 HG3 LYS 45 -0.273 -6.694 -3.156 337 HD2 LYS 45 HD2 LYS 45 -1.465 -8.767 -3.265 338 HD3 LYS 45 HD3 LYS 45 -3.003 -7.931 -3.495 339 HE2 LYS 45 HE2 LYS 45 -2.143 -7.027 -5.634 340 HE3 LYS 45 HE3 LYS 45 -0.668 -7.966 -5.409 341 HZ1 LYS 45 HZ1 LYS 45 -3.407 -9.090 -5.662 342 HZ2 LYS 45 HZ2 LYS 45 -1.988 -9.988 -5.463 343 HZ3 LYS 45 HZ3 LYS 45 -2.227 -9.088 -6.875 344 H GLY 46 H GLY 46 -0.020 -3.592 -2.572 345 HA2 GLY 46 HA2 GLY 46 -2.512 -2.270 -3.507 346 HA3 GLY 46 HA3 GLY 46 -1.238 -1.275 -2.819 347 H GLU 47 H GLU 47 -1.959 -0.591 -5.269 348 HA GLU 47 HA GLU 47 0.209 -1.752 -6.952 349 HB2 GLU 47 HB2 GLU 47 -2.565 -1.717 -7.487 350 HB3 GLU 47 HB3 GLU 47 -1.828 -0.548 -8.575 351 HG2 GLU 47 HG2 GLU 47 -0.833 -2.129 -9.802 352 HG3 GLU 47 HG3 GLU 47 -0.375 -3.078 -8.390 353 H LEU 48 H LEU 48 1.625 -0.453 -7.817 354 HA LEU 48 HA LEU 48 1.059 2.489 -8.028 355 HB2 LEU 48 HB2 LEU 48 2.092 2.110 -5.811 356 HB3 LEU 48 HB3 LEU 48 3.432 1.266 -6.561 357 HG LEU 48 HG LEU 48 2.880 4.062 -7.437 358 HD11 LEU 48 HD11 LEU 48 2.737 4.302 -5.054 359 HD12 LEU 48 HD12 LEU 48 4.308 4.897 -5.588 360 HD13 LEU 48 HD13 LEU 48 4.178 3.313 -4.823 361 HD21 LEU 48 HD21 LEU 48 5.376 2.424 -7.004 362 HD22 LEU 48 HD22 LEU 48 5.347 4.092 -7.575 363 HD23 LEU 48 HD23 LEU 48 4.624 2.814 -8.550 364 H ASN 49 H ASN 49 1.457 2.887 -10.101 365 HA ASN 49 HA ASN 49 2.519 2.937 -12.164 366 HB2 ASN 49 HB2 ASN 49 4.913 2.057 -10.500 367 HB3 ASN 49 HB3 ASN 49 4.996 2.474 -12.208 368 HD21 ASN 49 HD21 ASN 49 6.375 3.700 -9.977 369 HD22 ASN 49 HD22 ASN 49 5.852 5.421 -9.965 370 H GLY 50 H GLY 50 0.866 0.834 -11.754 371 HA2 GLY 50 HA2 GLY 50 0.357 -1.161 -12.745 372 HA3 GLY 50 HA3 GLY 50 1.800 -0.993 -13.720 373 H LYS 51 H LYS 51 2.599 -1.034 -10.334 374 HA LYS 51 HA LYS 51 3.200 -3.955 -10.617 375 HB2 LYS 51 HB2 LYS 51 4.744 -1.622 -9.558 376 HB3 LYS 51 HB3 LYS 51 4.929 -3.165 -8.735 377 HG2 LYS 51 HG2 LYS 51 6.659 -2.966 -10.368 378 HG3 LYS 51 HG3 LYS 51 5.519 -4.196 -10.918 379 HD2 LYS 51 HD2 LYS 51 4.425 -2.390 -12.304 380 HD3 LYS 51 HD3 LYS 51 5.797 -1.360 -11.899 381 HE2 LYS 51 HE2 LYS 51 6.244 -2.336 -14.024 382 HE3 LYS 51 HE3 LYS 51 7.293 -3.130 -12.851 383 HZ1 LYS 51 HZ1 LYS 51 5.760 -4.994 -12.788 384 HZ2 LYS 51 HZ2 LYS 51 6.282 -4.717 -14.372 385 HZ3 LYS 51 HZ3 LYS 51 4.736 -4.227 -13.896 386 H GLU 52 H GLU 52 2.620 -5.316 -9.025 387 HA GLU 52 HA GLU 52 1.012 -4.146 -6.798 388 HB2 GLU 52 HB2 GLU 52 0.413 -6.803 -6.748 389 HB3 GLU 52 HB3 GLU 52 -0.525 -5.572 -7.572 390 HG2 GLU 52 HG2 GLU 52 1.695 -6.889 -9.051 391 HG3 GLU 52 HG3 GLU 52 0.208 -7.790 -8.771 392 H GLY 53 H GLY 53 1.422 -4.773 -4.627 393 HA2 GLY 53 HA2 GLY 53 3.215 -6.957 -4.022 394 HA3 GLY 53 HA3 GLY 53 4.054 -5.421 -3.919 395 H VAL 54 H VAL 54 3.958 -7.006 -1.724 396 HA VAL 54 HA VAL 54 1.720 -5.988 -0.046 397 HB VAL 54 HB VAL 54 2.371 -7.688 1.590 398 HG11 VAL 54 HG11 VAL 54 1.784 -9.684 0.276 399 HG12 VAL 54 HG12 VAL 54 2.074 -8.774 -1.207 400 HG13 VAL 54 HG13 VAL 54 0.768 -8.298 -0.122 401 HG21 VAL 54 HG21 VAL 54 4.793 -7.705 1.130 402 HG22 VAL 54 HG22 VAL 54 4.484 -8.522 -0.402 403 HG23 VAL 54 HG23 VAL 54 4.105 -9.329 1.120 404 H PHE 55 H PHE 55 2.264 -5.441 2.238 405 HA PHE 55 HA PHE 55 4.774 -4.652 3.138 406 HB2 PHE 55 HB2 PHE 55 4.963 -2.284 2.590 407 HB3 PHE 55 HB3 PHE 55 4.908 -3.236 1.113 408 HD1 PHE 55 HD2 PHE 55 2.998 -0.948 3.281 409 HD2 PHE 55 HD1 PHE 55 3.119 -2.995 -0.450 410 HE1 PHE 55 HE2 PHE 55 1.121 0.418 2.476 411 HE2 PHE 55 HE1 PHE 55 1.243 -1.627 -1.262 412 HZ PHE 55 HZ PHE 55 0.243 0.082 0.202 413 HA PRO 56 HA PRO 56 2.546 -3.351 6.698 414 HB2 PRO 56 HB2 PRO 56 4.345 -1.786 7.743 415 HB3 PRO 56 HB3 PRO 56 4.208 -3.496 8.158 416 HG2 PRO 56 HG2 PRO 56 5.994 -2.169 6.197 417 HG3 PRO 56 HG3 PRO 56 6.265 -3.620 7.179 418 HD2 PRO 56 HD2 PRO 56 5.752 -3.767 4.549 419 HD3 PRO 56 HD3 PRO 56 5.156 -4.996 5.681 420 H ASP 57 H ASP 57 0.740 -2.421 6.405 421 HA ASP 57 HA ASP 57 0.539 -0.101 4.900 422 HB2 ASP 57 HB2 ASP 57 -1.712 0.058 5.727 423 HB3 ASP 57 HB3 ASP 57 -1.269 -1.604 5.371 424 H ASN 58 H ASN 58 2.438 0.095 7.585 425 HA ASN 58 HA ASN 58 1.014 2.199 9.013 426 HB2 ASN 58 HB2 ASN 58 3.748 0.966 9.372 427 HB3 ASN 58 HB3 ASN 58 3.099 2.235 10.407 428 HD21 ASN 58 HD21 ASN 58 1.359 1.800 11.793 429 HD22 ASN 58 HD22 ASN 58 0.928 0.107 12.217 430 H PHE 59 H PHE 59 2.939 2.110 6.210 431 HA PHE 59 HA PHE 59 4.121 4.779 6.739 432 HB2 PHE 59 HB2 PHE 59 4.365 2.922 4.355 433 HB3 PHE 59 HB3 PHE 59 5.163 4.483 4.496 434 HD1 PHE 59 HD2 PHE 59 4.888 1.163 6.115 435 HD2 PHE 59 HD1 PHE 59 7.233 4.667 5.543 436 HE1 PHE 59 HE2 PHE 59 6.768 0.086 7.276 437 HE2 PHE 59 HE1 PHE 59 9.120 3.597 6.704 438 HZ PHE 59 HZ PHE 59 8.888 1.303 7.572 439 H ALA 60 H ALA 60 1.114 3.835 6.040 440 HA ALA 60 HA ALA 60 0.583 6.284 4.497 441 HB1 ALA 60 HB1 ALA 60 -0.371 3.575 3.568 442 HB2 ALA 60 HB2 ALA 60 0.843 4.577 2.771 443 HB3 ALA 60 HB3 ALA 60 -0.829 5.129 2.870 444 H VAL 61 H VAL 61 -1.670 6.938 4.555 445 HA VAL 61 HA VAL 61 -3.122 5.706 6.852 446 HB VAL 61 HB VAL 61 -2.298 7.953 7.417 447 HG11 VAL 61 HG11 VAL 61 -2.256 8.880 5.134 448 HG12 VAL 61 HG12 VAL 61 -3.094 9.933 6.272 449 HG13 VAL 61 HG13 VAL 61 -4.018 8.943 5.144 450 HG21 VAL 61 HG21 VAL 61 -5.291 7.847 7.043 451 HG22 VAL 61 HG22 VAL 61 -4.427 8.923 8.141 452 HG23 VAL 61 HG23 VAL 61 -4.389 7.180 8.404 453 H GLN 62 H GLN 62 -5.064 4.891 6.453 454 HA GLN 62 HA GLN 62 -6.206 5.158 3.781 455 HB2 GLN 62 HB2 GLN 62 -6.250 3.037 5.088 456 HB3 GLN 62 HB3 GLN 62 -7.324 3.805 6.248 457 HG2 GLN 62 HG2 GLN 62 -8.845 2.707 4.967 458 HG3 GLN 62 HG3 GLN 62 -8.786 4.244 4.111 459 HE21 GLN 62 HE21 GLN 62 -7.838 4.390 2.095 460 HE22 GLN 62 HE22 GLN 62 -7.414 2.921 1.149 461 H ILE 63 H ILE 63 -7.905 6.400 3.120 462 HA ILE 63 HA ILE 63 -8.675 8.635 4.667 463 HB ILE 63 HB ILE 63 -10.189 7.393 2.375 464 HG12 ILE 63 HG12 ILE 63 -7.907 7.948 1.725 465 HG13 ILE 63 HG13 ILE 63 -9.026 9.091 0.991 466 HG21 ILE 63 HG21 ILE 63 -10.348 10.155 3.574 467 HG22 ILE 63 HG22 ILE 63 -11.606 8.919 3.590 468 HG23 ILE 63 HG23 ILE 63 -11.122 9.665 2.067 469 HD11 ILE 63 HD11 ILE 63 -8.466 10.728 2.728 470 HD12 ILE 63 HD12 ILE 63 -7.054 10.227 1.799 471 HD13 ILE 63 HD13 ILE 63 -7.317 9.583 3.420 472 H SER 64 H SER 64 -10.242 5.479 4.263 473 HA SER 64 HA SER 64 -12.397 6.341 6.099 474 HB2 SER 64 HB2 SER 64 -13.002 5.080 4.057 475 HB3 SER 64 HB3 SER 64 -12.036 3.718 4.625 476 HG SER 64 HG SER 64 -14.380 3.679 5.083 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -10.866 -5.139 -1.829 2 H2 GLY 1 H2 GLY 1 -10.858 -6.172 -0.490 3 H3 GLY 1 H3 GLY 1 -10.176 -4.628 -0.370 4 HA2 GLY 1 HA2 GLY 1 -12.333 -3.602 -0.678 5 HA3 GLY 1 HA3 GLY 1 -13.053 -5.196 -0.843 6 H ALA 2 H ALA 2 -12.844 -6.695 1.009 7 HA ALA 2 HA ALA 2 -13.098 -7.184 3.227 8 HB1 ALA 2 HB1 ALA 2 -10.877 -6.236 3.524 9 HB2 ALA 2 HB2 ALA 2 -11.900 -5.892 4.919 10 HB3 ALA 2 HB3 ALA 2 -11.575 -4.631 3.732 11 H MET 3 H MET 3 -13.206 -3.797 4.381 12 HA MET 3 HA MET 3 -16.148 -4.199 4.537 13 HB2 MET 3 HB2 MET 3 -14.254 -3.592 6.511 14 HB3 MET 3 HB3 MET 3 -15.110 -2.083 6.228 15 HG2 MET 3 HG2 MET 3 -16.210 -3.220 7.993 16 HG3 MET 3 HG3 MET 3 -17.248 -3.308 6.571 17 HE1 MET 3 HE1 MET 3 -14.729 -6.815 8.205 18 HE2 MET 3 HE2 MET 3 -14.848 -5.234 8.977 19 HE3 MET 3 HE3 MET 3 -14.003 -5.402 7.439 20 H GLY 4 H GLY 4 -14.723 -3.093 2.172 21 HA2 GLY 4 HA2 GLY 4 -16.485 -0.930 1.642 22 HA3 GLY 4 HA3 GLY 4 -14.942 -0.253 2.138 23 H ALA 5 H ALA 5 -15.886 0.373 -0.318 24 HA ALA 5 HA ALA 5 -14.534 -1.505 -2.191 25 HB1 ALA 5 HB1 ALA 5 -16.869 -1.097 -2.664 26 HB2 ALA 5 HB2 ALA 5 -15.858 -0.425 -3.945 27 HB3 ALA 5 HB3 ALA 5 -16.576 0.640 -2.736 28 H LYS 6 H LYS 6 -15.043 1.473 -3.694 29 HA LYS 6 HA LYS 6 -12.474 2.000 -4.398 30 HB2 LYS 6 HB2 LYS 6 -14.541 4.100 -3.713 31 HB3 LYS 6 HB3 LYS 6 -13.128 4.353 -4.728 32 HG2 LYS 6 HG2 LYS 6 -14.014 2.646 -6.296 33 HG3 LYS 6 HG3 LYS 6 -15.473 2.557 -5.307 34 HD2 LYS 6 HD2 LYS 6 -15.745 5.030 -5.664 35 HD3 LYS 6 HD3 LYS 6 -14.430 4.935 -6.837 36 HE2 LYS 6 HE2 LYS 6 -16.447 4.810 -8.074 37 HE3 LYS 6 HE3 LYS 6 -15.777 3.180 -8.039 38 HZ1 LYS 6 HZ1 LYS 6 -17.320 2.598 -6.292 39 HZ2 LYS 6 HZ2 LYS 6 -18.172 3.213 -7.618 40 HZ3 LYS 6 HZ3 LYS 6 -17.930 4.177 -6.250 41 H GLU 7 H GLU 7 -10.667 1.956 -2.944 42 HA GLU 7 HA GLU 7 -10.815 4.075 -0.901 43 HB2 GLU 7 HB2 GLU 7 -10.177 1.194 -0.272 44 HB3 GLU 7 HB3 GLU 7 -9.827 2.525 0.816 45 HG2 GLU 7 HG2 GLU 7 -12.240 3.096 0.816 46 HG3 GLU 7 HG3 GLU 7 -12.537 1.644 -0.134 47 H TYR 8 H TYR 8 -9.060 5.256 -0.759 48 HA TYR 8 HA TYR 8 -6.501 4.122 -1.814 49 HB2 TYR 8 HB2 TYR 8 -7.223 7.046 -1.937 50 HB3 TYR 8 HB3 TYR 8 -5.970 6.190 -2.830 51 HD1 TYR 8 HD2 TYR 8 -6.564 4.787 -4.767 52 HD2 TYR 8 HD1 TYR 8 -9.504 7.065 -2.702 53 HE1 TYR 8 HE2 TYR 8 -8.110 4.496 -6.657 54 HE2 TYR 8 HE1 TYR 8 -11.059 6.778 -4.583 55 HH TYR 8 HH TYR 8 -10.647 4.520 -6.984 56 H CYS 9 H CYS 9 -4.513 5.169 -0.943 57 HA CYS 9 HA CYS 9 -4.971 6.310 1.758 58 HB2 CYS 9 HB2 CYS 9 -3.009 4.078 1.211 59 HB3 CYS 9 HB3 CYS 9 -3.312 4.847 2.763 60 HG CYS 9 HG CYS 9 -5.138 3.220 3.508 61 H ARG 10 H ARG 10 -3.385 7.707 2.543 62 HA ARG 10 HA ARG 10 -1.401 8.531 0.483 63 HB2 ARG 10 HB2 ARG 10 -3.038 10.228 1.405 64 HB3 ARG 10 HB3 ARG 10 -2.231 10.056 2.958 65 HG2 ARG 10 HG2 ARG 10 -0.190 10.915 2.081 66 HG3 ARG 10 HG3 ARG 10 -0.814 10.866 0.432 67 HD2 ARG 10 HD2 ARG 10 -0.917 13.125 1.135 68 HD3 ARG 10 HD3 ARG 10 -2.568 12.511 1.159 69 HE ARG 10 HE ARG 10 -1.917 12.100 3.711 70 HH11 ARG 10 HH11 ARG 10 -1.251 14.906 1.650 71 HH12 ARG 10 HH12 ARG 10 -1.257 16.025 2.969 72 HH21 ARG 10 HH21 ARG 10 -1.918 13.612 5.414 73 HH22 ARG 10 HH22 ARG 10 -1.636 15.293 5.105 74 H THR 11 H THR 11 0.756 8.315 0.821 75 HA THR 11 HA THR 11 1.555 6.666 3.057 76 HB THR 11 HB THR 11 3.873 6.985 2.147 77 HG1 THR 11 HG1 THR 11 4.109 8.135 0.241 78 HG21 THR 11 HG21 THR 11 1.702 6.095 0.248 79 HG22 THR 11 HG22 THR 11 2.550 5.099 1.431 80 HG23 THR 11 HG23 THR 11 3.417 5.748 0.039 81 H LEU 12 H LEU 12 1.878 7.330 5.064 82 HA LEU 12 HA LEU 12 2.338 10.090 5.628 83 HB2 LEU 12 HB2 LEU 12 2.485 7.749 7.488 84 HB3 LEU 12 HB3 LEU 12 2.384 9.430 7.976 85 HG LEU 12 HG LEU 12 0.230 7.922 6.489 86 HD11 LEU 12 HD11 LEU 12 0.467 7.106 8.760 87 HD12 LEU 12 HD12 LEU 12 -1.006 8.063 8.605 88 HD13 LEU 12 HD13 LEU 12 0.418 8.756 9.381 89 HD21 LEU 12 HD21 LEU 12 -1.150 9.898 7.028 90 HD22 LEU 12 HD22 LEU 12 0.187 10.274 5.942 91 HD23 LEU 12 HD23 LEU 12 0.290 10.705 7.649 92 H PHE 13 H PHE 13 4.355 7.396 4.952 93 HA PHE 13 HA PHE 13 6.759 8.973 5.472 94 HB2 PHE 13 HB2 PHE 13 6.320 6.334 6.897 95 HB3 PHE 13 HB3 PHE 13 7.835 7.227 6.859 96 HD1 PHE 13 HD1 PHE 13 7.956 9.468 7.968 97 HD2 PHE 13 HD2 PHE 13 4.629 6.857 8.444 98 HE1 PHE 13 HE1 PHE 13 7.270 10.714 9.976 99 HE2 PHE 13 HE2 PHE 13 3.938 8.098 10.453 100 HZ PHE 13 HZ PHE 13 5.258 10.030 11.220 101 HA PRO 14 HA PRO 14 8.092 6.526 2.045 102 HB2 PRO 14 HB2 PRO 14 10.781 6.520 2.271 103 HB3 PRO 14 HB3 PRO 14 9.873 8.001 1.948 104 HG2 PRO 14 HG2 PRO 14 11.041 7.015 4.517 105 HG3 PRO 14 HG3 PRO 14 11.006 8.661 3.861 106 HD2 PRO 14 HD2 PRO 14 9.266 7.700 5.775 107 HD3 PRO 14 HD3 PRO 14 8.925 9.072 4.704 108 H TYR 15 H TYR 15 8.716 4.498 1.341 109 HA TYR 15 HA TYR 15 9.779 2.552 3.317 110 HB2 TYR 15 HB2 TYR 15 7.326 2.408 3.513 111 HB3 TYR 15 HB3 TYR 15 7.200 2.145 1.778 112 HD1 TYR 15 HD1 TYR 15 8.263 0.655 4.973 113 HD2 TYR 15 HD2 TYR 15 7.647 -0.007 0.815 114 HE1 TYR 15 HE1 TYR 15 8.450 -1.768 5.337 115 HE2 TYR 15 HE2 TYR 15 7.833 -2.433 1.167 116 HH TYR 15 HH TYR 15 7.647 -3.876 4.168 117 H THR 16 H THR 16 11.261 1.250 2.457 118 HA THR 16 HA THR 16 11.400 1.180 -0.518 119 HB THR 16 HB THR 16 13.623 0.652 1.470 120 HG1 THR 16 HG1 THR 16 13.064 2.932 -0.155 121 HG21 THR 16 HG21 THR 16 13.669 0.936 -1.539 122 HG22 THR 16 HG22 THR 16 13.936 -0.551 -0.628 123 HG23 THR 16 HG23 THR 16 15.089 0.777 -0.503 124 H GLY 17 H GLY 17 11.218 -0.732 -1.586 125 HA2 GLY 17 HA2 GLY 17 10.562 -3.100 -0.020 126 HA3 GLY 17 HA3 GLY 17 10.604 -2.970 -1.772 127 H THR 18 H THR 18 11.759 -4.862 0.431 128 HA THR 18 HA THR 18 14.625 -4.703 -0.283 129 HB THR 18 HB THR 18 14.871 -6.607 1.326 130 HG1 THR 18 HG1 THR 18 13.142 -7.481 2.224 131 HG21 THR 18 HG21 THR 18 14.481 -5.258 3.333 132 HG22 THR 18 HG22 THR 18 13.477 -4.151 2.398 133 HG23 THR 18 HG23 THR 18 15.200 -4.290 2.045 134 H ASN 19 H ASN 19 11.749 -6.565 -0.950 135 HA ASN 19 HA ASN 19 13.345 -8.324 -2.820 136 HB2 ASN 19 HB2 ASN 19 11.434 -9.972 -2.442 137 HB3 ASN 19 HB3 ASN 19 12.527 -9.753 -1.083 138 HD21 ASN 19 HD21 ASN 19 11.834 -8.699 0.779 139 HD22 ASN 19 HD22 ASN 19 10.083 -8.449 1.102 140 H GLU 20 H GLU 20 12.035 -9.125 -4.659 141 HA GLU 20 HA GLU 20 10.855 -6.891 -5.996 142 HB2 GLU 20 HB2 GLU 20 10.384 -8.496 -7.823 143 HB3 GLU 20 HB3 GLU 20 12.040 -8.596 -7.241 144 HG2 GLU 20 HG2 GLU 20 11.610 -10.619 -6.088 145 HG3 GLU 20 HG3 GLU 20 9.869 -10.454 -6.311 146 H ASP 21 H ASP 21 9.478 -9.156 -3.815 147 HA ASP 21 HA ASP 21 6.755 -8.844 -4.952 148 HB2 ASP 21 HB2 ASP 21 7.752 -10.350 -2.505 149 HB3 ASP 21 HB3 ASP 21 6.099 -10.375 -3.109 150 H GLU 22 H GLU 22 8.747 -6.920 -3.159 151 HA GLU 22 HA GLU 22 6.524 -5.898 -1.465 152 HB2 GLU 22 HB2 GLU 22 9.181 -6.471 -0.855 153 HB3 GLU 22 HB3 GLU 22 9.159 -4.724 -1.033 154 HG2 GLU 22 HG2 GLU 22 7.650 -4.441 0.717 155 HG3 GLU 22 HG3 GLU 22 7.149 -6.131 0.679 156 H LEU 23 H LEU 23 5.932 -3.709 -1.538 157 HA LEU 23 HA LEU 23 6.626 -2.399 -4.093 158 HB2 LEU 23 HB2 LEU 23 4.348 -2.459 -2.422 159 HB3 LEU 23 HB3 LEU 23 4.940 -0.810 -2.362 160 HG LEU 23 HG LEU 23 4.977 -1.019 -4.973 161 HD11 LEU 23 HD11 LEU 23 3.290 -2.476 -5.878 162 HD12 LEU 23 HD12 LEU 23 2.921 -3.093 -4.269 163 HD13 LEU 23 HD13 LEU 23 4.492 -3.423 -5.000 164 HD21 LEU 23 HD21 LEU 23 3.564 0.520 -3.705 165 HD22 LEU 23 HD22 LEU 23 2.399 -0.775 -3.428 166 HD23 LEU 23 HD23 LEU 23 2.688 -0.183 -5.065 167 H THR 24 H THR 24 7.242 -0.132 -4.238 168 HA THR 24 HA THR 24 8.749 0.770 -1.817 169 HB THR 24 HB THR 24 9.761 0.917 -4.687 170 HG1 THR 24 HG1 THR 24 10.221 -1.106 -4.065 171 HG21 THR 24 HG21 THR 24 10.989 1.846 -2.089 172 HG22 THR 24 HG22 THR 24 10.499 2.853 -3.450 173 HG23 THR 24 HG23 THR 24 11.854 1.739 -3.622 174 H PHE 25 H PHE 25 8.675 3.006 -1.417 175 HA PHE 25 HA PHE 25 7.803 4.877 -3.433 176 HB2 PHE 25 HB2 PHE 25 5.674 5.518 -2.219 177 HB3 PHE 25 HB3 PHE 25 5.623 3.998 -3.105 178 HD1 PHE 25 HD1 PHE 25 5.913 5.487 0.262 179 HD2 PHE 25 HD2 PHE 25 5.211 1.952 -2.003 180 HE1 PHE 25 HE1 PHE 25 5.191 4.324 2.307 181 HE2 PHE 25 HE2 PHE 25 4.486 0.784 0.036 182 HZ PHE 25 HZ PHE 25 4.476 1.970 2.195 183 H ARG 26 H ARG 26 7.391 7.096 -2.487 184 HA ARG 26 HA ARG 26 9.084 7.437 -0.067 185 HB2 ARG 26 HB2 ARG 26 8.699 9.038 -2.543 186 HB3 ARG 26 HB3 ARG 26 8.979 9.929 -1.054 187 HG2 ARG 26 HG2 ARG 26 11.132 9.273 -0.900 188 HG3 ARG 26 HG3 ARG 26 10.813 7.683 -1.595 189 HD2 ARG 26 HD2 ARG 26 10.732 10.204 -3.229 190 HD3 ARG 26 HD3 ARG 26 12.219 9.291 -2.978 191 HE ARG 26 HE ARG 26 9.922 8.545 -4.641 192 HH11 ARG 26 HH11 ARG 26 12.896 7.469 -3.044 193 HH12 ARG 26 HH12 ARG 26 13.091 6.090 -4.072 194 HH21 ARG 26 HH21 ARG 26 10.216 6.714 -5.967 195 HH22 ARG 26 HH22 ARG 26 11.571 5.660 -5.730 196 H GLU 27 H GLU 27 8.434 9.405 1.359 197 HA GLU 27 HA GLU 27 5.698 9.073 2.094 198 HB2 GLU 27 HB2 GLU 27 7.474 9.686 3.677 199 HB3 GLU 27 HB3 GLU 27 7.687 11.225 2.858 200 HG2 GLU 27 HG2 GLU 27 5.051 10.461 4.047 201 HG3 GLU 27 HG3 GLU 27 6.334 11.152 5.036 202 H GLY 28 H GLY 28 3.884 10.068 1.496 203 HA2 GLY 28 HA2 GLY 28 2.607 11.950 0.779 204 HA3 GLY 28 HA3 GLY 28 4.071 12.721 0.183 205 H GLU 29 H GLU 29 2.083 9.790 -0.369 206 HA GLU 29 HA GLU 29 1.836 10.359 -3.206 207 HB2 GLU 29 HB2 GLU 29 3.544 8.010 -2.316 208 HB3 GLU 29 HB3 GLU 29 2.919 8.237 -3.942 209 HG2 GLU 29 HG2 GLU 29 4.184 10.413 -4.003 210 HG3 GLU 29 HG3 GLU 29 4.954 9.910 -2.498 211 H ILE 30 H ILE 30 -0.100 9.528 -3.847 212 HA ILE 30 HA ILE 30 -1.533 7.901 -1.885 213 HB ILE 30 HB ILE 30 -2.455 8.926 -4.571 214 HG12 ILE 30 HG12 ILE 30 -1.901 10.752 -3.030 215 HG13 ILE 30 HG13 ILE 30 -3.639 10.654 -3.284 216 HG21 ILE 30 HG21 ILE 30 -4.005 7.720 -2.283 217 HG22 ILE 30 HG22 ILE 30 -3.765 7.020 -3.883 218 HG23 ILE 30 HG23 ILE 30 -4.724 8.487 -3.698 219 HD11 ILE 30 HD11 ILE 30 -3.874 9.500 -1.136 220 HD12 ILE 30 HD12 ILE 30 -3.137 11.094 -0.964 221 HD13 ILE 30 HD13 ILE 30 -2.134 9.646 -0.883 222 H ILE 31 H ILE 31 -1.710 5.791 -1.861 223 HA ILE 31 HA ILE 31 -0.926 4.288 -4.315 224 HB ILE 31 HB ILE 31 -0.925 3.352 -1.437 225 HG12 ILE 31 HG12 ILE 31 1.411 4.052 -3.232 226 HG13 ILE 31 HG13 ILE 31 0.813 5.056 -1.917 227 HG21 ILE 31 HG21 ILE 31 -1.320 1.521 -2.969 228 HG22 ILE 31 HG22 ILE 31 0.312 1.406 -2.312 229 HG23 ILE 31 HG23 ILE 31 0.061 2.008 -3.951 230 HD11 ILE 31 HD11 ILE 31 1.381 3.292 -0.322 231 HD12 ILE 31 HD12 ILE 31 2.786 3.828 -1.245 232 HD13 ILE 31 HD13 ILE 31 1.997 2.303 -1.646 233 H HIS 32 H HIS 32 -2.183 2.669 -5.109 234 HA HIS 32 HA HIS 32 -5.011 2.862 -4.355 235 HB2 HIS 32 HB2 HIS 32 -3.772 1.017 -6.425 236 HB3 HIS 32 HB3 HIS 32 -5.459 1.508 -6.308 237 HD1 HIS 32 HD1 HIS 32 -2.629 2.112 -8.310 238 HD2 HIS 32 HD2 HIS 32 -5.493 4.598 -6.520 239 HE1 HIS 32 HE1 HIS 32 -2.574 4.303 -9.585 240 HE2 HIS 32 HE2 HIS 32 -4.220 5.851 -8.421 241 H LEU 33 H LEU 33 -6.079 1.530 -2.996 242 HA LEU 33 HA LEU 33 -4.528 -0.691 -1.840 243 HB2 LEU 33 HB2 LEU 33 -5.955 1.021 -0.537 244 HB3 LEU 33 HB3 LEU 33 -7.330 0.079 -1.078 245 HG LEU 33 HG LEU 33 -5.035 -1.052 0.527 246 HD11 LEU 33 HD11 LEU 33 -6.234 0.598 1.841 247 HD12 LEU 33 HD12 LEU 33 -6.587 -1.029 2.420 248 HD13 LEU 33 HD13 LEU 33 -7.769 -0.168 1.436 249 HD21 LEU 33 HD21 LEU 33 -6.133 -2.756 -0.757 250 HD22 LEU 33 HD22 LEU 33 -7.722 -2.166 -0.271 251 HD23 LEU 33 HD23 LEU 33 -6.652 -2.904 0.921 252 H ILE 34 H ILE 34 -4.533 -2.586 -2.802 253 HA ILE 34 HA ILE 34 -6.861 -3.344 -4.441 254 HB ILE 34 HB ILE 34 -4.227 -4.786 -4.100 255 HG12 ILE 34 HG12 ILE 34 -3.837 -2.574 -5.039 256 HG13 ILE 34 HG13 ILE 34 -3.627 -3.793 -6.291 257 HG21 ILE 34 HG21 ILE 34 -5.985 -6.247 -4.899 258 HG22 ILE 34 HG22 ILE 34 -4.838 -5.911 -6.197 259 HG23 ILE 34 HG23 ILE 34 -6.401 -5.093 -6.167 260 HD11 ILE 34 HD11 ILE 34 -6.051 -2.050 -5.910 261 HD12 ILE 34 HD12 ILE 34 -5.849 -3.275 -7.163 262 HD13 ILE 34 HD13 ILE 34 -4.805 -1.853 -7.142 263 H SER 35 H SER 35 -4.921 -4.694 -1.734 264 HA SER 35 HA SER 35 -7.380 -6.049 -0.764 265 HB2 SER 35 HB2 SER 35 -6.326 -7.668 -2.337 266 HB3 SER 35 HB3 SER 35 -4.842 -7.618 -1.389 267 HG SER 35 HG SER 35 -7.327 -8.747 -0.758 268 H LYS 36 H LYS 36 -7.469 -5.893 1.421 269 HA LYS 36 HA LYS 36 -5.110 -4.918 2.818 270 HB2 LYS 36 HB2 LYS 36 -7.881 -5.582 3.827 271 HB3 LYS 36 HB3 LYS 36 -6.614 -4.892 4.829 272 HG2 LYS 36 HG2 LYS 36 -6.630 -2.860 3.602 273 HG3 LYS 36 HG3 LYS 36 -7.659 -3.553 2.348 274 HD2 LYS 36 HD2 LYS 36 -9.471 -3.803 3.993 275 HD3 LYS 36 HD3 LYS 36 -8.441 -3.074 5.225 276 HE2 LYS 36 HE2 LYS 36 -8.358 -1.001 3.955 277 HE3 LYS 36 HE3 LYS 36 -9.323 -1.728 2.672 278 HZ1 LYS 36 HZ1 LYS 36 -11.154 -1.970 4.230 279 HZ2 LYS 36 HZ2 LYS 36 -10.673 -0.351 4.129 280 HZ3 LYS 36 HZ3 LYS 36 -10.227 -1.282 5.468 281 H GLU 37 H GLU 37 -6.411 -7.986 2.109 282 HA GLU 37 HA GLU 37 -4.689 -9.197 4.270 283 HB2 GLU 37 HB2 GLU 37 -7.224 -9.613 4.407 284 HB3 GLU 37 HB3 GLU 37 -7.053 -10.563 2.937 285 HG2 GLU 37 HG2 GLU 37 -7.028 -11.935 4.980 286 HG3 GLU 37 HG3 GLU 37 -5.549 -12.085 4.033 287 H THR 38 H THR 38 -2.829 -9.654 3.378 288 HA THR 38 HA THR 38 -2.837 -10.837 0.642 289 HB THR 38 HB THR 38 -0.521 -10.209 0.475 290 HG1 THR 38 HG1 THR 38 0.548 -10.305 2.314 291 HG21 THR 38 HG21 THR 38 -0.663 -7.778 0.764 292 HG22 THR 38 HG22 THR 38 -2.089 -7.980 1.779 293 HG23 THR 38 HG23 THR 38 -2.150 -8.427 0.075 294 H GLY 39 H GLY 39 -2.966 -11.968 3.730 295 HA2 GLY 39 HA2 GLY 39 -2.770 -14.384 4.030 296 HA3 GLY 39 HA3 GLY 39 -1.356 -14.372 2.988 297 H GLU 40 H GLU 40 -1.077 -11.652 4.802 298 HA GLU 40 HA GLU 40 0.251 -13.030 7.105 299 HB2 GLU 40 HB2 GLU 40 1.390 -10.622 5.640 300 HB3 GLU 40 HB3 GLU 40 2.151 -11.552 6.919 301 HG2 GLU 40 HG2 GLU 40 2.938 -13.087 5.500 302 HG3 GLU 40 HG3 GLU 40 1.450 -13.125 4.556 303 H ALA 41 H ALA 41 -0.159 -12.076 9.056 304 HA ALA 41 HA ALA 41 -2.240 -10.116 9.167 305 HB1 ALA 41 HB1 ALA 41 -0.320 -10.951 11.361 306 HB2 ALA 41 HB2 ALA 41 -1.842 -11.751 10.963 307 HB3 ALA 41 HB3 ALA 41 -1.849 -10.102 11.586 308 H GLY 42 H GLY 42 -2.239 -7.919 9.457 309 HA2 GLY 42 HA2 GLY 42 -1.356 -5.781 9.636 310 HA3 GLY 42 HA3 GLY 42 0.166 -6.477 10.164 311 H TRP 43 H TRP 43 -0.968 -7.721 7.139 312 HA TRP 43 HA TRP 43 0.953 -5.899 5.765 313 HB2 TRP 43 HB2 TRP 43 0.290 -8.801 5.284 314 HB3 TRP 43 HB3 TRP 43 1.115 -7.815 4.082 315 HD1 TRP 43 HD1 TRP 43 1.631 -9.205 7.637 316 HE1 TRP 43 HE1 TRP 43 4.174 -9.330 8.139 317 HE3 TRP 43 HE3 TRP 43 3.338 -6.921 3.399 318 HZ2 TRP 43 HZ2 TRP 43 6.558 -8.533 6.845 319 HZ3 TRP 43 HZ3 TRP 43 5.765 -6.640 3.106 320 HH2 TRP 43 HH2 TRP 43 7.340 -7.430 4.794 321 H TRP 44 H TRP 44 0.355 -4.781 4.019 322 HA TRP 44 HA TRP 44 -2.410 -5.275 2.991 323 HB2 TRP 44 HB2 TRP 44 -1.024 -2.733 3.777 324 HB3 TRP 44 HB3 TRP 44 -2.148 -2.683 2.424 325 HD1 TRP 44 HD1 TRP 44 -3.129 -5.065 5.168 326 HE1 TRP 44 HE1 TRP 44 -5.116 -4.102 6.524 327 HE3 TRP 44 HE3 TRP 44 -3.095 -0.318 3.271 328 HZ2 TRP 44 HZ2 TRP 44 -6.453 -1.623 6.719 329 HZ3 TRP 44 HZ3 TRP 44 -4.767 1.290 4.100 330 HH2 TRP 44 HH2 TRP 44 -6.409 0.648 5.789 331 H LYS 45 H LYS 45 -2.814 -4.749 0.785 332 HA LYS 45 HA LYS 45 -0.308 -4.806 -0.832 333 HB2 LYS 45 HB2 LYS 45 -1.441 -7.005 -0.851 334 HB3 LYS 45 HB3 LYS 45 -2.891 -6.240 -1.485 335 HG2 LYS 45 HG2 LYS 45 -1.702 -5.598 -3.498 336 HG3 LYS 45 HG3 LYS 45 -0.211 -6.284 -2.857 337 HD2 LYS 45 HD2 LYS 45 -1.236 -8.505 -2.842 338 HD3 LYS 45 HD3 LYS 45 -2.737 -7.818 -3.475 339 HE2 LYS 45 HE2 LYS 45 -1.578 -7.105 -5.493 340 HE3 LYS 45 HE3 LYS 45 -0.056 -7.726 -4.858 341 HZ1 LYS 45 HZ1 LYS 45 -0.999 -9.953 -4.885 342 HZ2 LYS 45 HZ2 LYS 45 -1.047 -9.262 -6.428 343 HZ3 LYS 45 HZ3 LYS 45 -2.458 -9.353 -5.500 344 H GLY 46 H GLY 46 -0.105 -3.412 -2.455 345 HA2 GLY 46 HA2 GLY 46 -2.540 -2.030 -3.426 346 HA3 GLY 46 HA3 GLY 46 -1.241 -1.056 -2.754 347 H GLU 47 H GLU 47 -1.962 -0.465 -5.232 348 HA GLU 47 HA GLU 47 0.156 -1.728 -6.905 349 HB2 GLU 47 HB2 GLU 47 -2.268 -2.209 -7.553 350 HB3 GLU 47 HB3 GLU 47 -2.380 -0.509 -7.984 351 HG2 GLU 47 HG2 GLU 47 -0.169 -2.119 -9.147 352 HG3 GLU 47 HG3 GLU 47 -1.802 -2.358 -9.763 353 H LEU 48 H LEU 48 1.620 -0.453 -7.804 354 HA LEU 48 HA LEU 48 1.083 2.416 -8.240 355 HB2 LEU 48 HB2 LEU 48 1.764 2.303 -5.836 356 HB3 LEU 48 HB3 LEU 48 3.267 1.532 -6.305 357 HG LEU 48 HG LEU 48 3.866 3.568 -7.601 358 HD11 LEU 48 HD11 LEU 48 1.386 4.700 -6.313 359 HD12 LEU 48 HD12 LEU 48 1.638 4.420 -8.037 360 HD13 LEU 48 HD13 LEU 48 2.602 5.630 -7.190 361 HD21 LEU 48 HD21 LEU 48 4.712 3.250 -5.342 362 HD22 LEU 48 HD22 LEU 48 3.263 4.005 -4.678 363 HD23 LEU 48 HD23 LEU 48 4.387 4.956 -5.650 364 H ASN 49 H ASN 49 1.928 2.895 -10.100 365 HA ASN 49 HA ASN 49 3.337 2.947 -11.924 366 HB2 ASN 49 HB2 ASN 49 5.389 1.650 -10.093 367 HB3 ASN 49 HB3 ASN 49 5.714 2.436 -11.634 368 HD21 ASN 49 HD21 ASN 49 6.699 2.972 -8.892 369 HD22 ASN 49 HD22 ASN 49 6.295 4.699 -8.596 370 H GLY 50 H GLY 50 1.485 0.824 -11.650 371 HA2 GLY 50 HA2 GLY 50 0.991 -1.013 -12.939 372 HA3 GLY 50 HA3 GLY 50 2.589 -0.933 -13.651 373 H LYS 51 H LYS 51 2.972 -1.110 -10.249 374 HA LYS 51 HA LYS 51 3.161 -4.098 -10.477 375 HB2 LYS 51 HB2 LYS 51 5.169 -2.121 -9.895 376 HB3 LYS 51 HB3 LYS 51 4.914 -3.112 -8.464 377 HG2 LYS 51 HG2 LYS 51 6.681 -3.984 -9.938 378 HG3 LYS 51 HG3 LYS 51 5.350 -5.120 -9.715 379 HD2 LYS 51 HD2 LYS 51 4.398 -4.203 -11.885 380 HD3 LYS 51 HD3 LYS 51 5.956 -3.410 -12.118 381 HE2 LYS 51 HE2 LYS 51 5.551 -6.377 -11.740 382 HE3 LYS 51 HE3 LYS 51 5.796 -5.578 -13.292 383 HZ1 LYS 51 HZ1 LYS 51 7.733 -5.636 -11.039 384 HZ2 LYS 51 HZ2 LYS 51 7.969 -4.834 -12.510 385 HZ3 LYS 51 HZ3 LYS 51 7.851 -6.520 -12.477 386 H GLU 52 H GLU 52 2.568 -5.333 -8.773 387 HA GLU 52 HA GLU 52 1.043 -3.932 -6.627 388 HB2 GLU 52 HB2 GLU 52 -0.021 -6.252 -6.348 389 HB3 GLU 52 HB3 GLU 52 -0.473 -5.287 -7.743 390 HG2 GLU 52 HG2 GLU 52 -0.189 -7.595 -8.374 391 HG3 GLU 52 HG3 GLU 52 1.045 -6.603 -9.143 392 H GLY 53 H GLY 53 1.338 -4.625 -4.386 393 HA2 GLY 53 HA2 GLY 53 3.121 -6.827 -3.786 394 HA3 GLY 53 HA3 GLY 53 3.943 -5.285 -3.643 395 H VAL 54 H VAL 54 3.806 -6.953 -1.500 396 HA VAL 54 HA VAL 54 1.560 -5.975 0.185 397 HB VAL 54 HB VAL 54 2.156 -7.705 1.766 398 HG11 VAL 54 HG11 VAL 54 0.747 -8.312 -0.157 399 HG12 VAL 54 HG12 VAL 54 1.693 -9.675 0.437 400 HG13 VAL 54 HG13 VAL 54 2.187 -8.830 -1.030 401 HG21 VAL 54 HG21 VAL 54 4.590 -7.620 1.527 402 HG22 VAL 54 HG22 VAL 54 4.464 -8.360 -0.069 403 HG23 VAL 54 HG23 VAL 54 3.993 -9.270 1.366 404 H PHE 55 H PHE 55 2.017 -5.312 2.415 405 HA PHE 55 HA PHE 55 4.560 -4.584 3.367 406 HB2 PHE 55 HB2 PHE 55 4.673 -2.170 2.851 407 HB3 PHE 55 HB3 PHE 55 4.763 -3.153 1.395 408 HD1 PHE 55 HD2 PHE 55 2.489 -1.036 3.423 409 HD2 PHE 55 HD1 PHE 55 3.180 -2.910 -0.340 410 HE1 PHE 55 HE2 PHE 55 0.597 0.203 2.461 411 HE2 PHE 55 HE1 PHE 55 1.289 -1.669 -1.305 412 HZ PHE 55 HZ PHE 55 -0.004 -0.109 0.096 413 HA PRO 56 HA PRO 56 2.265 -3.310 6.909 414 HB2 PRO 56 HB2 PRO 56 4.037 -1.736 7.973 415 HB3 PRO 56 HB3 PRO 56 3.907 -3.441 8.408 416 HG2 PRO 56 HG2 PRO 56 5.712 -2.107 6.467 417 HG3 PRO 56 HG3 PRO 56 5.982 -3.556 7.451 418 HD2 PRO 56 HD2 PRO 56 5.506 -3.707 4.808 419 HD3 PRO 56 HD3 PRO 56 4.908 -4.939 5.939 420 H ASP 57 H ASP 57 0.432 -2.392 6.606 421 HA ASP 57 HA ASP 57 0.284 -0.063 5.083 422 HB2 ASP 57 HB2 ASP 57 -1.978 0.174 5.948 423 HB3 ASP 57 HB3 ASP 57 -1.591 -1.463 5.446 424 H ASN 58 H ASN 58 2.085 0.068 7.849 425 HA ASN 58 HA ASN 58 0.701 2.247 9.188 426 HB2 ASN 58 HB2 ASN 58 3.367 0.906 9.643 427 HB3 ASN 58 HB3 ASN 58 2.790 2.258 10.610 428 HD21 ASN 58 HD21 ASN 58 2.665 1.179 12.531 429 HD22 ASN 58 HD22 ASN 58 1.472 -0.134 12.821 430 H PHE 59 H PHE 59 2.536 2.099 6.383 431 HA PHE 59 HA PHE 59 3.788 4.747 6.902 432 HB2 PHE 59 HB2 PHE 59 4.191 2.773 4.637 433 HB3 PHE 59 HB3 PHE 59 4.983 4.341 4.751 434 HD1 PHE 59 HD1 PHE 59 4.546 1.159 6.624 435 HD2 PHE 59 HD2 PHE 59 7.028 4.519 5.815 436 HE1 PHE 59 HE1 PHE 59 6.342 0.147 7.962 437 HE2 PHE 59 HE2 PHE 59 8.830 3.513 7.153 438 HZ PHE 59 HZ PHE 59 8.488 1.325 8.229 439 H ALA 60 H ALA 60 0.829 3.768 6.078 440 HA ALA 60 HA ALA 60 0.356 6.141 4.411 441 HB1 ALA 60 HB1 ALA 60 -0.872 4.892 2.709 442 HB2 ALA 60 HB2 ALA 60 -0.386 3.377 3.472 443 HB3 ALA 60 HB3 ALA 60 0.830 4.431 2.751 444 H VAL 61 H VAL 61 -1.507 7.130 5.064 445 HA VAL 61 HA VAL 61 -3.306 5.556 6.829 446 HB VAL 61 HB VAL 61 -2.499 7.770 7.614 447 HG11 VAL 61 HG11 VAL 61 -4.161 8.901 5.366 448 HG12 VAL 61 HG12 VAL 61 -2.400 8.920 5.454 449 HG13 VAL 61 HG13 VAL 61 -3.350 9.824 6.631 450 HG21 VAL 61 HG21 VAL 61 -4.598 6.842 8.449 451 HG22 VAL 61 HG22 VAL 61 -5.475 7.635 7.140 452 HG23 VAL 61 HG23 VAL 61 -4.664 8.602 8.372 453 H GLN 62 H GLN 62 -5.414 5.077 6.323 454 HA GLN 62 HA GLN 62 -6.165 5.253 3.546 455 HB2 GLN 62 HB2 GLN 62 -6.849 3.447 5.212 456 HB3 GLN 62 HB3 GLN 62 -8.002 4.606 5.858 457 HG2 GLN 62 HG2 GLN 62 -9.377 3.579 4.400 458 HG3 GLN 62 HG3 GLN 62 -8.678 4.751 3.285 459 HE21 GLN 62 HE21 GLN 62 -8.364 3.854 1.385 460 HE22 GLN 62 HE22 GLN 62 -7.669 2.218 1.119 461 H ILE 63 H ILE 63 -7.483 6.657 2.463 462 HA ILE 63 HA ILE 63 -8.004 9.202 3.677 463 HB ILE 63 HB ILE 63 -9.164 8.047 1.138 464 HG12 ILE 63 HG12 ILE 63 -6.727 8.100 1.057 465 HG13 ILE 63 HG13 ILE 63 -7.388 9.344 0.004 466 HG21 ILE 63 HG21 ILE 63 -10.483 9.917 1.893 467 HG22 ILE 63 HG22 ILE 63 -9.520 10.410 0.501 468 HG23 ILE 63 HG23 ILE 63 -9.033 10.892 2.126 469 HD11 ILE 63 HD11 ILE 63 -6.241 9.771 2.753 470 HD12 ILE 63 HD12 ILE 63 -6.929 11.026 1.723 471 HD13 ILE 63 HD13 ILE 63 -5.470 10.174 1.219 472 H SER 64 H SER 64 -10.143 6.469 2.772 473 HA SER 64 HA SER 64 -11.889 6.999 4.999 474 HB2 SER 64 HB2 SER 64 -13.932 7.477 3.560 475 HB3 SER 64 HB3 SER 64 -12.788 8.805 3.730 476 HG SER 64 HG SER 64 -13.477 7.329 1.499 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -16.269 -3.893 7.633 2 H2 GLY 1 H2 GLY 1 -16.598 -4.257 6.015 3 H3 GLY 1 H3 GLY 1 -16.099 -2.700 6.445 4 HA2 GLY 1 HA2 GLY 1 -13.941 -3.556 7.141 5 HA3 GLY 1 HA3 GLY 1 -14.460 -5.166 6.667 6 H ALA 2 H ALA 2 -13.106 -5.647 5.006 7 HA ALA 2 HA ALA 2 -12.578 -3.611 2.971 8 HB1 ALA 2 HB1 ALA 2 -11.704 -6.499 3.116 9 HB2 ALA 2 HB2 ALA 2 -10.784 -5.106 3.685 10 HB3 ALA 2 HB3 ALA 2 -11.114 -5.301 1.963 11 H MET 3 H MET 3 -13.274 -3.604 0.856 12 HA MET 3 HA MET 3 -14.214 -5.754 -0.528 13 HB2 MET 3 HB2 MET 3 -16.167 -5.906 0.940 14 HB3 MET 3 HB3 MET 3 -16.575 -4.225 0.622 15 HG2 MET 3 HG2 MET 3 -17.087 -4.733 -1.671 16 HG3 MET 3 HG3 MET 3 -16.538 -6.394 -1.463 17 HE1 MET 3 HE1 MET 3 -20.391 -6.853 -1.916 18 HE2 MET 3 HE2 MET 3 -18.785 -7.277 -2.508 19 HE3 MET 3 HE3 MET 3 -19.393 -5.635 -2.711 20 H GLY 4 H GLY 4 -13.863 -5.207 -2.590 21 HA2 GLY 4 HA2 GLY 4 -12.884 -3.105 -3.738 22 HA3 GLY 4 HA3 GLY 4 -14.253 -3.863 -4.522 23 H ALA 5 H ALA 5 -13.282 -1.149 -2.345 24 HA ALA 5 HA ALA 5 -15.746 0.210 -3.334 25 HB1 ALA 5 HB1 ALA 5 -15.732 1.518 -1.288 26 HB2 ALA 5 HB2 ALA 5 -14.244 0.726 -0.769 27 HB3 ALA 5 HB3 ALA 5 -15.735 -0.205 -0.913 28 H LYS 6 H LYS 6 -12.547 0.108 -4.031 29 HA LYS 6 HA LYS 6 -11.311 1.538 -5.331 30 HB2 LYS 6 HB2 LYS 6 -13.664 3.403 -5.016 31 HB3 LYS 6 HB3 LYS 6 -12.195 3.872 -5.856 32 HG2 LYS 6 HG2 LYS 6 -12.515 2.269 -7.543 33 HG3 LYS 6 HG3 LYS 6 -13.741 1.413 -6.608 34 HD2 LYS 6 HD2 LYS 6 -14.123 4.256 -7.502 35 HD3 LYS 6 HD3 LYS 6 -14.533 2.892 -8.543 36 HE2 LYS 6 HE2 LYS 6 -15.621 3.309 -5.760 37 HE3 LYS 6 HE3 LYS 6 -16.458 3.782 -7.238 38 HZ1 LYS 6 HZ1 LYS 6 -16.392 1.431 -7.929 39 HZ2 LYS 6 HZ2 LYS 6 -17.270 1.665 -6.502 40 HZ3 LYS 6 HZ3 LYS 6 -15.708 1.020 -6.435 41 H GLU 7 H GLU 7 -10.615 1.053 -2.889 42 HA GLU 7 HA GLU 7 -10.358 3.488 -1.275 43 HB2 GLU 7 HB2 GLU 7 -9.422 0.654 -0.849 44 HB3 GLU 7 HB3 GLU 7 -9.146 1.956 0.301 45 HG2 GLU 7 HG2 GLU 7 -11.405 2.152 0.816 46 HG3 GLU 7 HG3 GLU 7 -11.910 1.308 -0.647 47 H TYR 8 H TYR 8 -8.722 4.791 -1.060 48 HA TYR 8 HA TYR 8 -6.106 4.002 -2.268 49 HB2 TYR 8 HB2 TYR 8 -7.124 6.841 -2.122 50 HB3 TYR 8 HB3 TYR 8 -5.779 6.216 -3.071 51 HD1 TYR 8 HD1 TYR 8 -6.638 4.156 -4.693 52 HD2 TYR 8 HD2 TYR 8 -8.953 7.469 -3.361 53 HE1 TYR 8 HE1 TYR 8 -8.133 3.882 -6.625 54 HE2 TYR 8 HE2 TYR 8 -10.454 7.203 -5.289 55 HH TYR 8 HH TYR 8 -10.527 4.465 -7.206 56 H CYS 9 H CYS 9 -4.178 5.017 -1.257 57 HA CYS 9 HA CYS 9 -4.732 6.035 1.464 58 HB2 CYS 9 HB2 CYS 9 -2.916 4.548 2.373 59 HB3 CYS 9 HB3 CYS 9 -4.389 3.716 1.895 60 HG CYS 9 HG CYS 9 -3.276 2.884 -0.596 61 H ARG 10 H ARG 10 -3.199 7.396 2.355 62 HA ARG 10 HA ARG 10 -1.163 8.357 0.405 63 HB2 ARG 10 HB2 ARG 10 -2.771 10.033 1.153 64 HB3 ARG 10 HB3 ARG 10 -2.386 9.684 2.832 65 HG2 ARG 10 HG2 ARG 10 -0.173 10.575 2.570 66 HG3 ARG 10 HG3 ARG 10 -0.417 10.776 0.833 67 HD2 ARG 10 HD2 ARG 10 -0.659 12.891 2.075 68 HD3 ARG 10 HD3 ARG 10 -2.131 12.428 1.224 69 HE ARG 10 HE ARG 10 -1.902 11.671 4.070 70 HH11 ARG 10 HH11 ARG 10 -3.276 13.847 1.631 71 HH12 ARG 10 HH12 ARG 10 -4.535 14.410 2.674 72 HH21 ARG 10 HH21 ARG 10 -3.579 12.444 5.404 73 HH22 ARG 10 HH22 ARG 10 -4.708 13.617 4.814 74 H THR 11 H THR 11 1.002 8.300 0.848 75 HA THR 11 HA THR 11 1.793 6.664 3.128 76 HB THR 11 HB THR 11 4.124 7.054 2.266 77 HG1 THR 11 HG1 THR 11 4.380 8.177 0.366 78 HG21 THR 11 HG21 THR 11 2.870 5.096 1.581 79 HG22 THR 11 HG22 THR 11 3.793 5.715 0.212 80 HG23 THR 11 HG23 THR 11 2.060 6.022 0.318 81 H LEU 12 H LEU 12 3.037 7.218 4.905 82 HA LEU 12 HA LEU 12 2.991 10.100 5.527 83 HB2 LEU 12 HB2 LEU 12 3.430 7.894 7.501 84 HB3 LEU 12 HB3 LEU 12 2.899 9.535 7.814 85 HG LEU 12 HG LEU 12 1.254 7.443 6.385 86 HD11 LEU 12 HD11 LEU 12 1.604 6.857 8.726 87 HD12 LEU 12 HD12 LEU 12 -0.064 7.345 8.431 88 HD13 LEU 12 HD13 LEU 12 1.055 8.460 9.216 89 HD21 LEU 12 HD21 LEU 12 0.668 9.680 5.691 90 HD22 LEU 12 HD22 LEU 12 0.583 10.213 7.369 91 HD23 LEU 12 HD23 LEU 12 -0.585 9.045 6.754 92 H PHE 13 H PHE 13 5.123 7.531 4.726 93 HA PHE 13 HA PHE 13 7.452 9.186 5.183 94 HB2 PHE 13 HB2 PHE 13 7.084 6.677 6.835 95 HB3 PHE 13 HB3 PHE 13 8.637 7.469 6.596 96 HD1 PHE 13 HD1 PHE 13 8.832 9.913 7.342 97 HD2 PHE 13 HD2 PHE 13 5.684 7.320 8.565 98 HE1 PHE 13 HE1 PHE 13 8.370 11.382 9.260 99 HE2 PHE 13 HE2 PHE 13 5.217 8.786 10.483 100 HZ PHE 13 HZ PHE 13 6.559 10.821 10.833 101 HA PRO 14 HA PRO 14 8.772 6.742 1.760 102 HB2 PRO 14 HB2 PRO 14 11.490 6.713 2.039 103 HB3 PRO 14 HB3 PRO 14 10.585 8.136 1.514 104 HG2 PRO 14 HG2 PRO 14 11.667 7.471 4.222 105 HG3 PRO 14 HG3 PRO 14 11.669 9.024 3.365 106 HD2 PRO 14 HD2 PRO 14 9.887 8.424 5.323 107 HD3 PRO 14 HD3 PRO 14 9.500 9.502 3.968 108 H TYR 15 H TYR 15 8.753 4.642 1.348 109 HA TYR 15 HA TYR 15 9.995 2.761 3.327 110 HB2 TYR 15 HB2 TYR 15 7.480 2.811 3.401 111 HB3 TYR 15 HB3 TYR 15 7.466 2.291 1.721 112 HD1 TYR 15 HD1 TYR 15 8.515 1.288 5.132 113 HD2 TYR 15 HD2 TYR 15 7.663 0.008 1.164 114 HE1 TYR 15 HE1 TYR 15 8.610 -1.054 5.873 115 HE2 TYR 15 HE2 TYR 15 7.754 -2.339 1.895 116 HH TYR 15 HH TYR 15 7.657 -3.276 5.094 117 H THR 16 H THR 16 11.312 1.220 2.558 118 HA THR 16 HA THR 16 11.608 1.137 -0.405 119 HB THR 16 HB THR 16 13.642 0.351 1.696 120 HG1 THR 16 HG1 THR 16 13.711 2.505 1.774 121 HG21 THR 16 HG21 THR 16 13.874 0.635 -1.304 122 HG22 THR 16 HG22 THR 16 13.947 -0.870 -0.389 123 HG23 THR 16 HG23 THR 16 15.218 0.337 -0.203 124 H GLY 17 H GLY 17 11.351 -0.735 -1.514 125 HA2 GLY 17 HA2 GLY 17 10.314 -3.034 -0.037 126 HA3 GLY 17 HA3 GLY 17 10.470 -2.882 -1.781 127 H THR 18 H THR 18 11.315 -4.906 0.477 128 HA THR 18 HA THR 18 14.213 -5.012 -0.011 129 HB THR 18 HB THR 18 12.487 -6.959 1.530 130 HG1 THR 18 HG1 THR 18 12.304 -5.275 2.823 131 HG21 THR 18 HG21 THR 18 15.455 -6.405 1.608 132 HG22 THR 18 HG22 THR 18 14.687 -7.831 0.911 133 HG23 THR 18 HG23 THR 18 14.590 -7.536 2.647 134 H ASN 19 H ASN 19 11.269 -6.669 -1.003 135 HA ASN 19 HA ASN 19 12.915 -8.352 -2.896 136 HB2 ASN 19 HB2 ASN 19 11.081 -10.071 -2.619 137 HB3 ASN 19 HB3 ASN 19 12.095 -9.847 -1.200 138 HD21 ASN 19 HD21 ASN 19 11.268 -8.789 0.634 139 HD22 ASN 19 HD22 ASN 19 9.492 -8.647 0.874 140 H GLU 20 H GLU 20 11.582 -9.161 -4.748 141 HA GLU 20 HA GLU 20 10.437 -6.906 -6.048 142 HB2 GLU 20 HB2 GLU 20 11.504 -8.551 -7.406 143 HB3 GLU 20 HB3 GLU 20 10.519 -9.848 -6.749 144 HG2 GLU 20 HG2 GLU 20 8.541 -8.753 -7.855 145 HG3 GLU 20 HG3 GLU 20 9.689 -7.694 -8.672 146 H ASP 21 H ASP 21 8.998 -9.028 -3.792 147 HA ASP 21 HA ASP 21 6.276 -8.672 -4.925 148 HB2 ASP 21 HB2 ASP 21 7.081 -10.826 -3.780 149 HB3 ASP 21 HB3 ASP 21 7.014 -9.929 -2.266 150 H GLU 22 H GLU 22 8.457 -7.229 -2.609 151 HA GLU 22 HA GLU 22 6.266 -5.719 -1.338 152 HB2 GLU 22 HB2 GLU 22 8.283 -6.640 -0.085 153 HB3 GLU 22 HB3 GLU 22 9.238 -5.405 -0.893 154 HG2 GLU 22 HG2 GLU 22 8.039 -3.659 0.184 155 HG3 GLU 22 HG3 GLU 22 6.836 -4.787 0.805 156 H LEU 23 H LEU 23 5.892 -3.523 -1.592 157 HA LEU 23 HA LEU 23 6.976 -2.429 -4.115 158 HB2 LEU 23 HB2 LEU 23 4.573 -2.072 -2.516 159 HB3 LEU 23 HB3 LEU 23 5.269 -0.532 -2.978 160 HG LEU 23 HG LEU 23 4.642 -2.717 -4.963 161 HD11 LEU 23 HD11 LEU 23 2.973 -0.337 -4.170 162 HD12 LEU 23 HD12 LEU 23 2.582 -2.031 -3.879 163 HD13 LEU 23 HD13 LEU 23 2.647 -1.412 -5.528 164 HD21 LEU 23 HD21 LEU 23 4.774 -0.861 -6.577 165 HD22 LEU 23 HD22 LEU 23 6.298 -1.123 -5.728 166 HD23 LEU 23 HD23 LEU 23 5.253 0.221 -5.268 167 H THR 24 H THR 24 7.557 -0.080 -4.249 168 HA THR 24 HA THR 24 8.971 0.769 -1.750 169 HB THR 24 HB THR 24 10.132 0.909 -4.578 170 HG1 THR 24 HG1 THR 24 10.494 -1.132 -3.951 171 HG21 THR 24 HG21 THR 24 12.208 1.613 -3.338 172 HG22 THR 24 HG22 THR 24 11.195 1.832 -1.912 173 HG23 THR 24 HG23 THR 24 10.908 2.804 -3.353 174 H PHE 25 H PHE 25 9.039 3.068 -1.444 175 HA PHE 25 HA PHE 25 8.318 4.941 -3.488 176 HB2 PHE 25 HB2 PHE 25 6.110 5.630 -2.328 177 HB3 PHE 25 HB3 PHE 25 6.092 4.251 -3.419 178 HD1 PHE 25 HD1 PHE 25 6.277 5.177 0.171 179 HD2 PHE 25 HD2 PHE 25 5.343 2.167 -2.690 180 HE1 PHE 25 HE1 PHE 25 5.326 3.780 1.957 181 HE2 PHE 25 HE2 PHE 25 4.388 0.765 -0.908 182 HZ PHE 25 HZ PHE 25 4.379 1.571 1.419 183 H ARG 26 H ARG 26 7.810 7.175 -2.548 184 HA ARG 26 HA ARG 26 9.412 7.494 -0.060 185 HB2 ARG 26 HB2 ARG 26 8.806 9.521 -2.228 186 HB3 ARG 26 HB3 ARG 26 9.810 9.806 -0.814 187 HG2 ARG 26 HG2 ARG 26 11.404 8.137 -1.592 188 HG3 ARG 26 HG3 ARG 26 10.392 7.824 -3.003 189 HD2 ARG 26 HD2 ARG 26 10.673 10.179 -3.687 190 HD3 ARG 26 HD3 ARG 26 11.749 10.426 -2.312 191 HE ARG 26 HE ARG 26 12.633 8.225 -3.941 192 HH11 ARG 26 HH11 ARG 26 12.555 11.763 -3.788 193 HH12 ARG 26 HH12 ARG 26 13.968 11.955 -4.771 194 HH21 ARG 26 HH21 ARG 26 14.488 8.526 -5.231 195 HH22 ARG 26 HH22 ARG 26 15.064 10.120 -5.590 196 H GLU 27 H GLU 27 8.673 9.542 1.308 197 HA GLU 27 HA GLU 27 5.972 9.066 2.043 198 HB2 GLU 27 HB2 GLU 27 7.495 9.881 3.687 199 HB3 GLU 27 HB3 GLU 27 7.973 11.246 2.695 200 HG2 GLU 27 HG2 GLU 27 5.548 12.033 2.948 201 HG3 GLU 27 HG3 GLU 27 5.448 10.856 4.255 202 H GLY 28 H GLY 28 4.060 10.140 1.676 203 HA2 GLY 28 HA2 GLY 28 2.659 11.773 0.778 204 HA3 GLY 28 HA3 GLY 28 4.060 12.668 0.204 205 H GLU 29 H GLU 29 2.008 9.812 -0.421 206 HA GLU 29 HA GLU 29 1.960 10.304 -3.225 207 HB2 GLU 29 HB2 GLU 29 4.051 8.482 -2.217 208 HB3 GLU 29 HB3 GLU 29 3.041 7.800 -3.484 209 HG2 GLU 29 HG2 GLU 29 4.593 10.373 -3.677 210 HG3 GLU 29 HG3 GLU 29 5.068 8.827 -4.373 211 H ILE 30 H ILE 30 0.022 9.567 -3.874 212 HA ILE 30 HA ILE 30 -1.467 7.842 -2.043 213 HB ILE 30 HB ILE 30 -2.298 8.962 -4.724 214 HG12 ILE 30 HG12 ILE 30 -1.779 10.748 -3.134 215 HG13 ILE 30 HG13 ILE 30 -3.516 10.655 -3.406 216 HG21 ILE 30 HG21 ILE 30 -3.921 7.711 -2.510 217 HG22 ILE 30 HG22 ILE 30 -3.638 7.045 -4.118 218 HG23 ILE 30 HG23 ILE 30 -4.593 8.515 -3.929 219 HD11 ILE 30 HD11 ILE 30 -3.038 11.032 -1.071 220 HD12 ILE 30 HD12 ILE 30 -2.027 9.589 -1.019 221 HD13 ILE 30 HD13 ILE 30 -3.763 9.441 -1.291 222 H ILE 31 H ILE 31 -1.704 5.755 -2.106 223 HA ILE 31 HA ILE 31 -0.809 4.313 -4.557 224 HB ILE 31 HB ILE 31 -0.987 3.257 -1.727 225 HG12 ILE 31 HG12 ILE 31 1.481 4.075 -3.279 226 HG13 ILE 31 HG13 ILE 31 0.738 5.039 -2.007 227 HG21 ILE 31 HG21 ILE 31 0.232 2.085 -4.225 228 HG22 ILE 31 HG22 ILE 31 -1.208 1.509 -3.386 229 HG23 ILE 31 HG23 ILE 31 0.370 1.395 -2.607 230 HD11 ILE 31 HD11 ILE 31 1.937 2.300 -1.675 231 HD12 ILE 31 HD12 ILE 31 1.183 3.255 -0.399 232 HD13 ILE 31 HD13 ILE 31 2.661 3.827 -1.173 233 H HIS 32 H HIS 32 -2.030 2.530 -5.306 234 HA HIS 32 HA HIS 32 -4.893 2.818 -4.679 235 HB2 HIS 32 HB2 HIS 32 -3.332 1.422 -6.838 236 HB3 HIS 32 HB3 HIS 32 -5.001 0.949 -6.538 237 HD1 HIS 32 HD1 HIS 32 -2.944 4.020 -7.473 238 HD2 HIS 32 HD2 HIS 32 -6.872 2.568 -7.686 239 HE1 HIS 32 HE1 HIS 32 -4.251 5.688 -8.867 240 HE2 HIS 32 HE2 HIS 32 -6.657 4.868 -8.896 241 H LEU 33 H LEU 33 -6.007 1.553 -3.323 242 HA LEU 33 HA LEU 33 -4.563 -0.659 -2.036 243 HB2 LEU 33 HB2 LEU 33 -6.018 1.061 -0.838 244 HB3 LEU 33 HB3 LEU 33 -7.399 0.226 -1.522 245 HG LEU 33 HG LEU 33 -5.365 -1.124 0.252 246 HD11 LEU 33 HD11 LEU 33 -8.040 0.047 1.003 247 HD12 LEU 33 HD12 LEU 33 -6.465 0.686 1.473 248 HD13 LEU 33 HD13 LEU 33 -6.985 -0.895 2.056 249 HD21 LEU 33 HD21 LEU 33 -6.566 -2.697 -1.092 250 HD22 LEU 33 HD22 LEU 33 -8.103 -1.907 -0.736 251 HD23 LEU 33 HD23 LEU 33 -7.232 -2.757 0.539 252 H ILE 34 H ILE 34 -4.503 -2.576 -2.992 253 HA ILE 34 HA ILE 34 -6.734 -3.326 -4.750 254 HB ILE 34 HB ILE 34 -4.153 -4.823 -4.273 255 HG12 ILE 34 HG12 ILE 34 -3.633 -2.605 -5.125 256 HG13 ILE 34 HG13 ILE 34 -3.371 -3.800 -6.391 257 HG21 ILE 34 HG21 ILE 34 -5.819 -6.249 -5.232 258 HG22 ILE 34 HG22 ILE 34 -4.652 -5.828 -6.487 259 HG23 ILE 34 HG23 ILE 34 -6.227 -5.036 -6.445 260 HD11 ILE 34 HD11 ILE 34 -4.430 -1.805 -7.271 261 HD12 ILE 34 HD12 ILE 34 -5.763 -1.989 -6.132 262 HD13 ILE 34 HD13 ILE 34 -5.514 -3.191 -7.398 263 H SER 35 H SER 35 -4.990 -4.684 -1.915 264 HA SER 35 HA SER 35 -7.535 -6.016 -1.140 265 HB2 SER 35 HB2 SER 35 -6.408 -7.645 -2.622 266 HB3 SER 35 HB3 SER 35 -4.971 -7.600 -1.599 267 HG SER 35 HG SER 35 -5.932 -8.852 -0.204 268 H LYS 36 H LYS 36 -7.806 -5.809 1.018 269 HA LYS 36 HA LYS 36 -5.548 -4.952 2.639 270 HB2 LYS 36 HB2 LYS 36 -8.475 -5.345 3.165 271 HB3 LYS 36 HB3 LYS 36 -7.367 -5.149 4.515 272 HG2 LYS 36 HG2 LYS 36 -6.661 -2.979 3.582 273 HG3 LYS 36 HG3 LYS 36 -7.851 -3.175 2.293 274 HD2 LYS 36 HD2 LYS 36 -9.648 -3.228 3.926 275 HD3 LYS 36 HD3 LYS 36 -8.482 -3.129 5.245 276 HE2 LYS 36 HE2 LYS 36 -7.775 -0.924 4.450 277 HE3 LYS 36 HE3 LYS 36 -8.939 -1.028 3.129 278 HZ1 LYS 36 HZ1 LYS 36 -10.727 -1.095 4.742 279 HZ2 LYS 36 HZ2 LYS 36 -9.783 0.289 4.980 280 HZ3 LYS 36 HZ3 LYS 36 -9.621 -1.034 6.022 281 H GLU 37 H GLU 37 -6.991 -7.930 1.798 282 HA GLU 37 HA GLU 37 -5.542 -9.287 4.048 283 HB2 GLU 37 HB2 GLU 37 -8.143 -9.950 2.658 284 HB3 GLU 37 HB3 GLU 37 -7.175 -11.218 3.396 285 HG2 GLU 37 HG2 GLU 37 -8.853 -10.521 4.945 286 HG3 GLU 37 HG3 GLU 37 -7.279 -10.005 5.540 287 H THR 38 H THR 38 -3.601 -9.361 2.972 288 HA THR 38 HA THR 38 -3.666 -10.795 0.362 289 HB THR 38 HB THR 38 -2.511 -8.709 0.214 290 HG1 THR 38 HG1 THR 38 -1.264 -9.859 -1.046 291 HG21 THR 38 HG21 THR 38 -1.948 -8.301 2.521 292 HG22 THR 38 HG22 THR 38 -0.481 -8.217 1.546 293 HG23 THR 38 HG23 THR 38 -0.810 -9.650 2.522 294 H GLY 39 H GLY 39 -3.462 -11.663 3.514 295 HA2 GLY 39 HA2 GLY 39 -3.010 -14.045 3.896 296 HA3 GLY 39 HA3 GLY 39 -1.625 -13.916 2.829 297 H GLU 40 H GLU 40 -1.611 -11.120 4.578 298 HA GLU 40 HA GLU 40 -0.165 -12.317 6.893 299 HB2 GLU 40 HB2 GLU 40 1.382 -11.491 5.014 300 HB3 GLU 40 HB3 GLU 40 0.832 -9.874 5.419 301 HG2 GLU 40 HG2 GLU 40 2.851 -10.149 6.563 302 HG3 GLU 40 HG3 GLU 40 1.594 -10.355 7.783 303 H ALA 41 H ALA 41 -0.814 -11.489 8.804 304 HA ALA 41 HA ALA 41 -2.911 -9.545 8.846 305 HB1 ALA 41 HB1 ALA 41 -2.668 -9.598 11.287 306 HB2 ALA 41 HB2 ALA 41 -1.124 -10.434 11.128 307 HB3 ALA 41 HB3 ALA 41 -2.613 -11.228 10.617 308 H GLY 42 H GLY 42 -2.943 -7.356 9.189 309 HA2 GLY 42 HA2 GLY 42 -2.082 -5.217 9.469 310 HA3 GLY 42 HA3 GLY 42 -0.585 -5.918 10.062 311 H TRP 43 H TRP 43 -1.494 -7.190 7.013 312 HA TRP 43 HA TRP 43 0.383 -5.290 5.685 313 HB2 TRP 43 HB2 TRP 43 -0.003 -8.255 5.353 314 HB3 TRP 43 HB3 TRP 43 0.723 -7.282 4.079 315 HD1 TRP 43 HD1 TRP 43 1.332 -7.757 7.893 316 HE1 TRP 43 HE1 TRP 43 3.891 -7.829 8.315 317 HE3 TRP 43 HE3 TRP 43 2.894 -7.068 3.080 318 HZ2 TRP 43 HZ2 TRP 43 6.233 -7.612 6.742 319 HZ3 TRP 43 HZ3 TRP 43 5.310 -7.011 2.620 320 HH2 TRP 43 HH2 TRP 43 6.945 -7.278 4.413 321 H TRP 44 H TRP 44 -0.139 -4.384 3.791 322 HA TRP 44 HA TRP 44 -2.800 -5.124 2.643 323 HB2 TRP 44 HB2 TRP 44 -1.567 -2.385 3.041 324 HB3 TRP 44 HB3 TRP 44 -2.894 -2.668 1.924 325 HD1 TRP 44 HD1 TRP 44 -3.823 -4.864 4.566 326 HE1 TRP 44 HE1 TRP 44 -5.393 -3.764 6.311 327 HE3 TRP 44 HE3 TRP 44 -3.013 0.034 3.328 328 HZ2 TRP 44 HZ2 TRP 44 -6.158 -1.143 7.016 329 HZ3 TRP 44 HZ3 TRP 44 -4.213 1.776 4.589 330 HH2 TRP 44 HH2 TRP 44 -5.752 1.196 6.394 331 H LYS 45 H LYS 45 -3.074 -4.819 0.402 332 HA LYS 45 HA LYS 45 -0.460 -4.895 -1.051 333 HB2 LYS 45 HB2 LYS 45 -1.635 -7.076 -1.100 334 HB3 LYS 45 HB3 LYS 45 -3.046 -6.299 -1.804 335 HG2 LYS 45 HG2 LYS 45 -1.662 -5.641 -3.750 336 HG3 LYS 45 HG3 LYS 45 -0.318 -6.546 -3.055 337 HD2 LYS 45 HD2 LYS 45 -1.600 -8.604 -3.191 338 HD3 LYS 45 HD3 LYS 45 -2.998 -7.717 -3.802 339 HE2 LYS 45 HE2 LYS 45 -0.317 -7.932 -5.169 340 HE3 LYS 45 HE3 LYS 45 -1.761 -8.844 -5.603 341 HZ1 LYS 45 HZ1 LYS 45 -1.386 -5.902 -5.786 342 HZ2 LYS 45 HZ2 LYS 45 -2.864 -6.684 -6.042 343 HZ3 LYS 45 HZ3 LYS 45 -1.557 -6.992 -7.070 344 H GLY 46 H GLY 46 -0.137 -3.415 -2.594 345 HA2 GLY 46 HA2 GLY 46 -2.520 -2.064 -3.727 346 HA3 GLY 46 HA3 GLY 46 -1.321 -1.076 -2.908 347 H GLU 47 H GLU 47 -1.745 -0.268 -5.311 348 HA GLU 47 HA GLU 47 0.511 -1.407 -6.909 349 HB2 GLU 47 HB2 GLU 47 -1.886 -1.824 -7.767 350 HB3 GLU 47 HB3 GLU 47 -1.918 -0.107 -8.140 351 HG2 GLU 47 HG2 GLU 47 0.424 -1.590 -9.136 352 HG3 GLU 47 HG3 GLU 47 -1.126 -2.016 -9.861 353 H LEU 48 H LEU 48 1.995 -0.008 -7.643 354 HA LEU 48 HA LEU 48 1.392 2.912 -7.840 355 HB2 LEU 48 HB2 LEU 48 2.025 2.506 -5.427 356 HB3 LEU 48 HB3 LEU 48 3.572 1.869 -5.951 357 HG LEU 48 HG LEU 48 4.107 4.060 -6.972 358 HD11 LEU 48 HD11 LEU 48 1.511 4.924 -5.703 359 HD12 LEU 48 HD12 LEU 48 1.864 4.852 -7.430 360 HD13 LEU 48 HD13 LEU 48 2.716 6.005 -6.403 361 HD21 LEU 48 HD21 LEU 48 3.352 4.163 -4.054 362 HD22 LEU 48 HD22 LEU 48 4.468 5.259 -4.869 363 HD23 LEU 48 HD23 LEU 48 4.865 3.547 -4.717 364 H ASN 49 H ASN 49 2.315 3.616 -9.583 365 HA ASN 49 HA ASN 49 3.741 3.832 -11.402 366 HB2 ASN 49 HB2 ASN 49 5.790 2.545 -9.547 367 HB3 ASN 49 HB3 ASN 49 6.139 3.417 -11.034 368 HD21 ASN 49 HD21 ASN 49 4.289 5.544 -10.737 369 HD22 ASN 49 HD22 ASN 49 4.868 6.558 -9.371 370 H GLY 50 H GLY 50 2.032 1.526 -11.199 371 HA2 GLY 50 HA2 GLY 50 1.681 -0.229 -12.665 372 HA3 GLY 50 HA3 GLY 50 3.293 -0.011 -13.315 373 H LYS 51 H LYS 51 3.690 -0.335 -9.968 374 HA LYS 51 HA LYS 51 4.183 -3.242 -10.359 375 HB2 LYS 51 HB2 LYS 51 5.460 -1.163 -8.583 376 HB3 LYS 51 HB3 LYS 51 5.683 -2.884 -8.311 377 HG2 LYS 51 HG2 LYS 51 7.560 -2.160 -9.528 378 HG3 LYS 51 HG3 LYS 51 6.544 -3.027 -10.678 379 HD2 LYS 51 HD2 LYS 51 5.689 -0.928 -11.545 380 HD3 LYS 51 HD3 LYS 51 6.618 -0.028 -10.347 381 HE2 LYS 51 HE2 LYS 51 7.832 -1.821 -12.446 382 HE3 LYS 51 HE3 LYS 51 7.639 -0.078 -12.624 383 HZ1 LYS 51 HZ1 LYS 51 9.257 -1.454 -10.546 384 HZ2 LYS 51 HZ2 LYS 51 9.042 0.220 -10.659 385 HZ3 LYS 51 HZ3 LYS 51 9.858 -0.612 -11.885 386 H GLU 52 H GLU 52 3.180 -4.716 -9.152 387 HA GLU 52 HA GLU 52 1.327 -3.719 -7.034 388 HB2 GLU 52 HB2 GLU 52 0.187 -5.919 -7.347 389 HB3 GLU 52 HB3 GLU 52 0.156 -4.876 -8.762 390 HG2 GLU 52 HG2 GLU 52 1.860 -6.167 -9.833 391 HG3 GLU 52 HG3 GLU 52 2.132 -7.113 -8.371 392 H GLY 53 H GLY 53 1.389 -4.593 -4.924 393 HA2 GLY 53 HA2 GLY 53 2.794 -6.997 -4.286 394 HA3 GLY 53 HA3 GLY 53 3.870 -5.636 -4.036 395 H VAL 54 H VAL 54 3.540 -7.052 -1.901 396 HA VAL 54 HA VAL 54 1.258 -5.954 -0.348 397 HB VAL 54 HB VAL 54 1.728 -7.633 1.308 398 HG11 VAL 54 HG11 VAL 54 1.934 -8.847 -1.442 399 HG12 VAL 54 HG12 VAL 54 0.446 -8.324 -0.656 400 HG13 VAL 54 HG13 VAL 54 1.377 -9.662 0.019 401 HG21 VAL 54 HG21 VAL 54 3.582 -9.221 1.098 402 HG22 VAL 54 HG22 VAL 54 4.170 -7.565 1.248 403 HG23 VAL 54 HG23 VAL 54 4.163 -8.359 -0.326 404 H PHE 55 H PHE 55 1.719 -5.366 1.954 405 HA PHE 55 HA PHE 55 4.242 -4.586 2.893 406 HB2 PHE 55 HB2 PHE 55 4.386 -2.205 2.386 407 HB3 PHE 55 HB3 PHE 55 4.335 -3.124 0.886 408 HD1 PHE 55 HD1 PHE 55 2.309 -3.101 -0.518 409 HD2 PHE 55 HD2 PHE 55 2.611 -0.711 2.992 410 HE1 PHE 55 HE1 PHE 55 0.388 -1.756 -1.265 411 HE2 PHE 55 HE2 PHE 55 0.691 0.628 2.254 412 HZ PHE 55 HZ PHE 55 -0.421 0.113 0.122 413 HA PRO 56 HA PRO 56 1.867 -3.493 6.452 414 HB2 PRO 56 HB2 PRO 56 3.658 -1.995 7.608 415 HB3 PRO 56 HB3 PRO 56 3.459 -3.708 7.998 416 HG2 PRO 56 HG2 PRO 56 5.382 -2.399 6.153 417 HG3 PRO 56 HG3 PRO 56 5.551 -3.901 7.078 418 HD2 PRO 56 HD2 PRO 56 5.152 -3.879 4.418 419 HD3 PRO 56 HD3 PRO 56 4.494 -5.158 5.452 420 H ASP 57 H ASP 57 0.607 -1.984 7.430 421 HA ASP 57 HA ASP 57 0.358 0.168 5.430 422 HB2 ASP 57 HB2 ASP 57 -1.912 0.501 6.332 423 HB3 ASP 57 HB3 ASP 57 -1.621 -1.082 5.635 424 H ASN 58 H ASN 58 2.301 0.141 8.027 425 HA ASN 58 HA ASN 58 0.975 2.204 9.629 426 HB2 ASN 58 HB2 ASN 58 3.697 0.900 9.867 427 HB3 ASN 58 HB3 ASN 58 3.006 2.026 11.029 428 HD21 ASN 58 HD21 ASN 58 1.285 1.391 12.348 429 HD22 ASN 58 HD22 ASN 58 0.891 -0.350 12.572 430 H PHE 59 H PHE 59 2.895 2.097 6.805 431 HA PHE 59 HA PHE 59 4.123 4.726 7.422 432 HB2 PHE 59 HB2 PHE 59 4.627 2.718 5.223 433 HB3 PHE 59 HB3 PHE 59 5.316 4.336 5.215 434 HD1 PHE 59 HD2 PHE 59 6.895 5.005 7.012 435 HD2 PHE 59 HD1 PHE 59 5.550 0.997 6.549 436 HE1 PHE 59 HE2 PHE 59 8.771 4.223 8.395 437 HE2 PHE 59 HE1 PHE 59 7.424 0.205 7.932 438 HZ PHE 59 HZ PHE 59 9.038 1.819 8.858 439 H ALA 60 H ALA 60 1.180 3.796 6.477 440 HA ALA 60 HA ALA 60 0.834 6.223 4.857 441 HB1 ALA 60 HB1 ALA 60 -0.437 5.022 3.124 442 HB2 ALA 60 HB2 ALA 60 0.006 3.489 3.876 443 HB3 ALA 60 HB3 ALA 60 1.253 4.518 3.173 444 H VAL 61 H VAL 61 -1.330 6.993 4.807 445 HA VAL 61 HA VAL 61 -3.118 5.663 6.793 446 HB VAL 61 HB VAL 61 -2.168 7.815 7.635 447 HG11 VAL 61 HG11 VAL 61 -3.805 9.101 5.453 448 HG12 VAL 61 HG12 VAL 61 -2.049 8.950 5.433 449 HG13 VAL 61 HG13 VAL 61 -2.836 9.918 6.680 450 HG21 VAL 61 HG21 VAL 61 -4.312 6.981 8.453 451 HG22 VAL 61 HG22 VAL 61 -5.145 7.827 7.149 452 HG23 VAL 61 HG23 VAL 61 -4.297 8.744 8.394 453 H GLN 62 H GLN 62 -5.164 5.250 6.204 454 HA GLN 62 HA GLN 62 -5.929 5.750 3.429 455 HB2 GLN 62 HB2 GLN 62 -6.415 3.630 4.669 456 HB3 GLN 62 HB3 GLN 62 -7.548 4.535 5.664 457 HG2 GLN 62 HG2 GLN 62 -9.002 4.908 3.863 458 HG3 GLN 62 HG3 GLN 62 -7.784 4.446 2.675 459 HE21 GLN 62 HE21 GLN 62 -10.512 3.467 3.036 460 HE22 GLN 62 HE22 GLN 62 -10.354 1.698 3.307 461 H ILE 63 H ILE 63 -7.300 7.305 2.651 462 HA ILE 63 HA ILE 63 -7.889 9.548 4.337 463 HB ILE 63 HB ILE 63 -9.142 8.834 1.668 464 HG12 ILE 63 HG12 ILE 63 -6.734 8.973 1.450 465 HG13 ILE 63 HG13 ILE 63 -7.445 10.429 0.764 466 HG21 ILE 63 HG21 ILE 63 -9.017 11.442 3.178 467 HG22 ILE 63 HG22 ILE 63 -10.460 10.493 2.825 468 HG23 ILE 63 HG23 ILE 63 -9.572 11.266 1.513 469 HD11 ILE 63 HD11 ILE 63 -5.467 10.968 2.039 470 HD12 ILE 63 HD12 ILE 63 -6.143 10.185 3.468 471 HD13 ILE 63 HD13 ILE 63 -6.894 11.645 2.823 472 H SER 64 H SER 64 -9.885 6.808 3.155 473 HA SER 64 HA SER 64 -11.736 7.239 5.390 474 HB2 SER 64 HB2 SER 64 -12.676 7.438 2.517 475 HB3 SER 64 HB3 SER 64 -13.742 7.281 3.911 476 HG SER 64 HG SER 64 -13.464 9.324 4.337 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -13.778 -1.454 8.031 2 H2 GLY 1 H2 GLY 1 -14.644 -2.421 9.115 3 H3 GLY 1 H3 GLY 1 -15.445 -1.669 7.828 4 HA2 GLY 1 HA2 GLY 1 -13.393 -3.806 7.596 5 HA3 GLY 1 HA3 GLY 1 -15.122 -4.021 7.373 6 H ALA 2 H ALA 2 -13.091 -4.675 5.452 7 HA ALA 2 HA ALA 2 -13.198 -2.506 3.486 8 HB1 ALA 2 HB1 ALA 2 -11.623 -3.703 2.245 9 HB2 ALA 2 HB2 ALA 2 -12.109 -5.249 2.939 10 HB3 ALA 2 HB3 ALA 2 -11.214 -4.087 3.918 11 H MET 3 H MET 3 -14.303 -2.543 1.508 12 HA MET 3 HA MET 3 -15.420 -4.937 0.525 13 HB2 MET 3 HB2 MET 3 -17.082 -4.427 2.360 14 HB3 MET 3 HB3 MET 3 -17.543 -2.985 1.465 15 HG2 MET 3 HG2 MET 3 -18.710 -4.143 -0.074 16 HG3 MET 3 HG3 MET 3 -17.604 -5.515 -0.044 17 HE1 MET 3 HE1 MET 3 -20.626 -6.202 -0.330 18 HE2 MET 3 HE2 MET 3 -20.756 -7.477 0.883 19 HE3 MET 3 HE3 MET 3 -19.315 -7.363 -0.126 20 H GLY 4 H GLY 4 -15.404 -4.723 -1.700 21 HA2 GLY 4 HA2 GLY 4 -14.358 -2.853 -3.202 22 HA3 GLY 4 HA3 GLY 4 -15.853 -3.595 -3.727 23 H ALA 5 H ALA 5 -14.535 -0.728 -1.934 24 HA ALA 5 HA ALA 5 -16.907 0.726 -3.015 25 HB1 ALA 5 HB1 ALA 5 -16.794 2.174 -1.072 26 HB2 ALA 5 HB2 ALA 5 -15.378 1.303 -0.483 27 HB3 ALA 5 HB3 ALA 5 -16.938 0.487 -0.578 28 H LYS 6 H LYS 6 -13.734 0.341 -3.724 29 HA LYS 6 HA LYS 6 -12.381 1.631 -5.080 30 HB2 LYS 6 HB2 LYS 6 -14.856 3.028 -5.305 31 HB3 LYS 6 HB3 LYS 6 -13.598 4.228 -5.058 32 HG2 LYS 6 HG2 LYS 6 -12.372 3.365 -6.968 33 HG3 LYS 6 HG3 LYS 6 -13.591 2.108 -7.197 34 HD2 LYS 6 HD2 LYS 6 -15.290 3.863 -7.557 35 HD3 LYS 6 HD3 LYS 6 -14.030 5.088 -7.402 36 HE2 LYS 6 HE2 LYS 6 -12.870 4.132 -9.336 37 HE3 LYS 6 HE3 LYS 6 -14.133 2.912 -9.489 38 HZ1 LYS 6 HZ1 LYS 6 -14.515 5.846 -9.763 39 HZ2 LYS 6 HZ2 LYS 6 -15.735 4.682 -9.898 40 HZ3 LYS 6 HZ3 LYS 6 -14.482 4.728 -11.033 41 H GLU 7 H GLU 7 -11.126 1.299 -3.069 42 HA GLU 7 HA GLU 7 -10.886 3.820 -1.488 43 HB2 GLU 7 HB2 GLU 7 -10.094 1.020 -0.695 44 HB3 GLU 7 HB3 GLU 7 -10.040 2.451 0.326 45 HG2 GLU 7 HG2 GLU 7 -12.438 2.641 0.275 46 HG3 GLU 7 HG3 GLU 7 -12.555 1.317 -0.882 47 H TYR 8 H TYR 8 -9.123 4.920 -1.328 48 HA TYR 8 HA TYR 8 -6.566 3.764 -2.375 49 HB2 TYR 8 HB2 TYR 8 -7.240 6.706 -2.405 50 HB3 TYR 8 HB3 TYR 8 -5.969 5.871 -3.287 51 HD1 TYR 8 HD2 TYR 8 -9.641 6.361 -3.107 52 HD2 TYR 8 HD1 TYR 8 -6.358 5.012 -5.456 53 HE1 TYR 8 HE2 TYR 8 -11.118 6.198 -5.065 54 HE2 TYR 8 HE1 TYR 8 -7.826 4.849 -7.421 55 HH TYR 8 HH TYR 8 -10.329 4.542 -7.838 56 H CYS 9 H CYS 9 -4.574 4.792 -1.428 57 HA CYS 9 HA CYS 9 -5.091 5.792 1.319 58 HB2 CYS 9 HB2 CYS 9 -3.302 4.297 2.192 59 HB3 CYS 9 HB3 CYS 9 -4.720 3.431 1.617 60 HG CYS 9 HG CYS 9 -3.492 2.745 -0.854 61 H ARG 10 H ARG 10 -3.522 7.113 2.229 62 HA ARG 10 HA ARG 10 -1.524 8.103 0.258 63 HB2 ARG 10 HB2 ARG 10 -3.328 9.653 1.187 64 HB3 ARG 10 HB3 ARG 10 -2.471 9.559 2.721 65 HG2 ARG 10 HG2 ARG 10 -0.593 10.664 1.871 66 HG3 ARG 10 HG3 ARG 10 -1.090 10.403 0.197 67 HD2 ARG 10 HD2 ARG 10 -3.132 11.828 0.777 68 HD3 ARG 10 HD3 ARG 10 -2.240 12.299 2.223 69 HE ARG 10 HE ARG 10 -0.420 12.835 0.311 70 HH11 ARG 10 HH11 ARG 10 -3.871 13.612 0.520 71 HH12 ARG 10 HH12 ARG 10 -3.726 15.050 -0.432 72 HH21 ARG 10 HH21 ARG 10 -0.279 14.735 -0.939 73 HH22 ARG 10 HH22 ARG 10 -1.688 15.687 -1.259 74 H THR 11 H THR 11 0.642 8.155 0.718 75 HA THR 11 HA THR 11 1.481 6.570 3.016 76 HB THR 11 HB THR 11 3.784 6.940 2.154 77 HG1 THR 11 HG1 THR 11 4.019 8.057 0.191 78 HG21 THR 11 HG21 THR 11 2.510 5.028 1.379 79 HG22 THR 11 HG22 THR 11 3.466 5.683 0.049 80 HG23 THR 11 HG23 THR 11 1.736 6.014 0.137 81 H LEU 12 H LEU 12 2.417 7.169 4.876 82 HA LEU 12 HA LEU 12 2.564 10.071 5.385 83 HB2 LEU 12 HB2 LEU 12 2.536 7.829 7.382 84 HB3 LEU 12 HB3 LEU 12 2.368 9.540 7.730 85 HG LEU 12 HG LEU 12 0.378 7.877 6.179 86 HD11 LEU 12 HD11 LEU 12 -1.053 8.155 8.150 87 HD12 LEU 12 HD12 LEU 12 0.278 8.943 8.997 88 HD13 LEU 12 HD13 LEU 12 0.415 7.251 8.522 89 HD21 LEU 12 HD21 LEU 12 0.262 10.737 7.129 90 HD22 LEU 12 HD22 LEU 12 -1.069 9.849 6.389 91 HD23 LEU 12 HD23 LEU 12 0.387 10.195 5.455 92 H PHE 13 H PHE 13 4.561 7.306 4.901 93 HA PHE 13 HA PHE 13 6.930 8.890 5.607 94 HB2 PHE 13 HB2 PHE 13 6.212 6.327 7.025 95 HB3 PHE 13 HB3 PHE 13 7.876 6.893 6.907 96 HD1 PHE 13 HD1 PHE 13 8.442 9.163 7.859 97 HD2 PHE 13 HD2 PHE 13 4.766 7.172 8.655 98 HE1 PHE 13 HE1 PHE 13 8.096 10.596 9.828 99 HE2 PHE 13 HE2 PHE 13 4.414 8.601 10.626 100 HZ PHE 13 HZ PHE 13 6.080 10.317 11.214 101 HA PRO 14 HA PRO 14 8.577 6.630 2.216 102 HB2 PRO 14 HB2 PRO 14 11.304 6.608 3.206 103 HB3 PRO 14 HB3 PRO 14 10.572 7.687 2.019 104 HG2 PRO 14 HG2 PRO 14 11.407 8.461 4.527 105 HG3 PRO 14 HG3 PRO 14 10.192 9.318 3.564 106 HD2 PRO 14 HD2 PRO 14 9.816 7.413 5.839 107 HD3 PRO 14 HD3 PRO 14 8.910 8.890 5.437 108 H TYR 15 H TYR 15 8.887 4.558 1.576 109 HA TYR 15 HA TYR 15 9.956 2.573 3.550 110 HB2 TYR 15 HB2 TYR 15 7.507 2.445 3.610 111 HB3 TYR 15 HB3 TYR 15 7.456 2.265 1.861 112 HD1 TYR 15 HD1 TYR 15 8.450 0.615 5.011 113 HD2 TYR 15 HD2 TYR 15 7.825 0.147 0.829 114 HE1 TYR 15 HE1 TYR 15 8.602 -1.824 5.267 115 HE2 TYR 15 HE2 TYR 15 7.973 -2.296 1.075 116 HH TYR 15 HH TYR 15 9.114 -3.904 2.801 117 H THR 16 H THR 16 11.433 1.244 2.793 118 HA THR 16 HA THR 16 11.824 1.200 -0.159 119 HB THR 16 HB THR 16 13.831 0.524 2.011 120 HG1 THR 16 HG1 THR 16 13.802 2.669 2.120 121 HG21 THR 16 HG21 THR 16 14.167 0.882 -0.972 122 HG22 THR 16 HG22 THR 16 14.264 -0.643 -0.093 123 HG23 THR 16 HG23 THR 16 15.472 0.611 0.182 124 H GLY 17 H GLY 17 11.429 -0.672 -1.228 125 HA2 GLY 17 HA2 GLY 17 10.545 -2.993 0.252 126 HA3 GLY 17 HA3 GLY 17 10.754 -2.877 -1.488 127 H THR 18 H THR 18 11.580 -4.785 0.883 128 HA THR 18 HA THR 18 14.493 -4.868 0.382 129 HB THR 18 HB THR 18 14.511 -6.684 2.067 130 HG1 THR 18 HG1 THR 18 12.630 -7.686 2.194 131 HG21 THR 18 HG21 THR 18 13.012 -4.212 2.943 132 HG22 THR 18 HG22 THR 18 14.762 -4.357 2.784 133 HG23 THR 18 HG23 THR 18 13.905 -5.304 3.999 134 H ASN 19 H ASN 19 11.520 -6.565 -0.396 135 HA ASN 19 HA ASN 19 13.063 -8.641 -1.981 136 HB2 ASN 19 HB2 ASN 19 10.143 -8.705 -1.080 137 HB3 ASN 19 HB3 ASN 19 11.103 -10.020 -1.745 138 HD21 ASN 19 HD21 ASN 19 9.581 -9.597 0.823 139 HD22 ASN 19 HD22 ASN 19 10.775 -10.025 2.098 140 H GLU 20 H GLU 20 12.064 -9.240 -4.029 141 HA GLU 20 HA GLU 20 11.474 -6.933 -5.609 142 HB2 GLU 20 HB2 GLU 20 12.623 -8.943 -6.481 143 HB3 GLU 20 HB3 GLU 20 11.132 -9.860 -6.312 144 HG2 GLU 20 HG2 GLU 20 10.057 -8.353 -7.939 145 HG3 GLU 20 HG3 GLU 20 11.598 -7.522 -8.148 146 H ASP 21 H ASP 21 9.451 -9.063 -3.770 147 HA ASP 21 HA ASP 21 7.036 -8.331 -5.308 148 HB2 ASP 21 HB2 ASP 21 7.454 -10.102 -2.887 149 HB3 ASP 21 HB3 ASP 21 5.884 -9.803 -3.628 150 H GLU 22 H GLU 22 8.853 -6.605 -3.285 151 HA GLU 22 HA GLU 22 6.607 -5.615 -1.621 152 HB2 GLU 22 HB2 GLU 22 9.267 -6.100 -1.033 153 HB3 GLU 22 HB3 GLU 22 9.224 -4.357 -1.252 154 HG2 GLU 22 HG2 GLU 22 8.260 -4.056 0.716 155 HG3 GLU 22 HG3 GLU 22 7.010 -5.247 0.361 156 H LEU 23 H LEU 23 5.814 -3.542 -1.751 157 HA LEU 23 HA LEU 23 6.474 -2.133 -4.245 158 HB2 LEU 23 HB2 LEU 23 4.159 -2.491 -2.768 159 HB3 LEU 23 HB3 LEU 23 4.570 -0.810 -2.488 160 HG LEU 23 HG LEU 23 4.125 -2.118 -5.172 161 HD11 LEU 23 HD11 LEU 23 2.529 -0.031 -3.694 162 HD12 LEU 23 HD12 LEU 23 2.082 -1.725 -3.882 163 HD13 LEU 23 HD13 LEU 23 2.173 -0.676 -5.296 164 HD21 LEU 23 HD21 LEU 23 5.867 -0.406 -5.305 165 HD22 LEU 23 HD22 LEU 23 4.795 0.752 -4.517 166 HD23 LEU 23 HD23 LEU 23 4.390 0.120 -6.113 167 H THR 24 H THR 24 8.410 -0.992 -4.112 168 HA THR 24 HA THR 24 9.041 0.471 -1.692 169 HB THR 24 HB THR 24 10.288 0.702 -4.463 170 HG1 THR 24 HG1 THR 24 10.874 -1.277 -3.922 171 HG21 THR 24 HG21 THR 24 10.880 2.617 -3.127 172 HG22 THR 24 HG22 THR 24 12.266 1.528 -3.186 173 HG23 THR 24 HG23 THR 24 11.253 1.592 -1.744 174 H PHE 25 H PHE 25 9.023 2.722 -1.322 175 HA PHE 25 HA PHE 25 8.234 4.623 -3.338 176 HB2 PHE 25 HB2 PHE 25 6.051 5.261 -2.360 177 HB3 PHE 25 HB3 PHE 25 6.029 3.633 -3.029 178 HD1 PHE 25 HD1 PHE 25 6.207 5.564 0.123 179 HD2 PHE 25 HD2 PHE 25 5.523 1.768 -1.679 180 HE1 PHE 25 HE1 PHE 25 5.385 4.694 2.273 181 HE2 PHE 25 HE2 PHE 25 4.700 0.894 0.468 182 HZ PHE 25 HZ PHE 25 4.630 2.357 2.447 183 H ARG 26 H ARG 26 7.960 6.849 -2.443 184 HA ARG 26 HA ARG 26 9.493 7.076 0.092 185 HB2 ARG 26 HB2 ARG 26 9.272 8.830 -2.332 186 HB3 ARG 26 HB3 ARG 26 9.716 9.538 -0.786 187 HG2 ARG 26 HG2 ARG 26 11.687 9.024 -2.093 188 HG3 ARG 26 HG3 ARG 26 11.631 8.031 -0.636 189 HD2 ARG 26 HD2 ARG 26 10.739 6.166 -1.961 190 HD3 ARG 26 HD3 ARG 26 10.828 7.162 -3.412 191 HE ARG 26 HE ARG 26 13.393 7.124 -2.223 192 HH11 ARG 26 HH11 ARG 26 11.140 4.912 -3.829 193 HH12 ARG 26 HH12 ARG 26 12.395 3.881 -4.429 194 HH21 ARG 26 HH21 ARG 26 15.010 5.737 -3.030 195 HH22 ARG 26 HH22 ARG 26 14.592 4.348 -3.975 196 H GLU 27 H GLU 27 8.866 9.157 1.427 197 HA GLU 27 HA GLU 27 6.109 8.886 2.076 198 HB2 GLU 27 HB2 GLU 27 7.995 9.651 3.590 199 HB3 GLU 27 HB3 GLU 27 7.924 11.210 2.785 200 HG2 GLU 27 HG2 GLU 27 5.569 9.977 4.177 201 HG3 GLU 27 HG3 GLU 27 6.722 11.031 4.988 202 H GLY 28 H GLY 28 4.303 9.915 1.447 203 HA2 GLY 28 HA2 GLY 28 3.045 11.700 0.543 204 HA3 GLY 28 HA3 GLY 28 4.526 12.481 0.007 205 H GLU 29 H GLU 29 2.438 9.637 -0.620 206 HA GLU 29 HA GLU 29 2.461 10.131 -3.454 207 HB2 GLU 29 HB2 GLU 29 4.154 7.914 -2.326 208 HB3 GLU 29 HB3 GLU 29 3.385 7.726 -3.894 209 HG2 GLU 29 HG2 GLU 29 4.551 9.740 -4.684 210 HG3 GLU 29 HG3 GLU 29 5.352 9.870 -3.121 211 H ILE 30 H ILE 30 0.481 9.501 -4.159 212 HA ILE 30 HA ILE 30 -1.187 7.972 -2.309 213 HB ILE 30 HB ILE 30 -1.815 9.042 -5.065 214 HG12 ILE 30 HG12 ILE 30 -1.290 10.810 -3.431 215 HG13 ILE 30 HG13 ILE 30 -2.988 10.839 -3.890 216 HG21 ILE 30 HG21 ILE 30 -3.626 7.898 -2.940 217 HG22 ILE 30 HG22 ILE 30 -3.294 7.215 -4.532 218 HG23 ILE 30 HG23 ILE 30 -4.179 8.734 -4.392 219 HD11 ILE 30 HD11 ILE 30 -2.678 11.219 -1.504 220 HD12 ILE 30 HD12 ILE 30 -1.881 9.654 -1.356 221 HD13 ILE 30 HD13 ILE 30 -3.583 9.738 -1.810 222 H ILE 31 H ILE 31 -1.524 5.898 -2.271 223 HA ILE 31 HA ILE 31 -0.661 4.295 -4.632 224 HB ILE 31 HB ILE 31 -0.922 3.407 -1.751 225 HG12 ILE 31 HG12 ILE 31 1.571 4.003 -3.364 226 HG13 ILE 31 HG13 ILE 31 0.917 5.029 -2.091 227 HG21 ILE 31 HG21 ILE 31 0.315 1.408 -2.521 228 HG22 ILE 31 HG22 ILE 31 0.185 1.999 -4.177 229 HG23 ILE 31 HG23 ILE 31 -1.269 1.571 -3.278 230 HD11 ILE 31 HD11 ILE 31 1.297 3.246 -0.465 231 HD12 ILE 31 HD12 ILE 31 2.787 3.717 -1.284 232 HD13 ILE 31 HD13 ILE 31 1.961 2.227 -1.743 233 H HIS 32 H HIS 32 -1.971 2.542 -5.319 234 HA HIS 32 HA HIS 32 -4.821 3.004 -4.723 235 HB2 HIS 32 HB2 HIS 32 -3.464 1.166 -6.730 236 HB3 HIS 32 HB3 HIS 32 -5.209 1.336 -6.563 237 HD1 HIS 32 HD1 HIS 32 -6.335 3.356 -7.625 238 HD2 HIS 32 HD2 HIS 32 -2.148 3.440 -7.829 239 HE1 HIS 32 HE1 HIS 32 -5.731 5.258 -9.189 240 HE2 HIS 32 HE2 HIS 32 -3.193 5.382 -9.222 241 H LEU 33 H LEU 33 -5.962 1.856 -3.274 242 HA LEU 33 HA LEU 33 -4.586 -0.355 -1.922 243 HB2 LEU 33 HB2 LEU 33 -6.036 1.495 -0.841 244 HB3 LEU 33 HB3 LEU 33 -7.403 0.543 -1.383 245 HG LEU 33 HG LEU 33 -5.233 -0.545 0.411 246 HD11 LEU 33 HD11 LEU 33 -6.367 1.293 1.534 247 HD12 LEU 33 HD12 LEU 33 -6.823 -0.254 2.247 248 HD13 LEU 33 HD13 LEU 33 -7.933 0.574 1.156 249 HD21 LEU 33 HD21 LEU 33 -6.414 -2.274 -0.773 250 HD22 LEU 33 HD22 LEU 33 -7.969 -1.553 -0.362 251 HD23 LEU 33 HD23 LEU 33 -6.963 -2.257 0.903 252 H ILE 34 H ILE 34 -4.567 -2.280 -2.842 253 HA ILE 34 HA ILE 34 -6.862 -3.071 -4.509 254 HB ILE 34 HB ILE 34 -4.268 -4.555 -4.065 255 HG12 ILE 34 HG12 ILE 34 -3.825 -2.354 -5.044 256 HG13 ILE 34 HG13 ILE 34 -3.548 -3.625 -6.229 257 HG21 ILE 34 HG21 ILE 34 -6.007 -6.006 -4.881 258 HG22 ILE 34 HG22 ILE 34 -4.856 -5.690 -6.179 259 HG23 ILE 34 HG23 ILE 34 -6.412 -4.862 -6.160 260 HD11 ILE 34 HD11 ILE 34 -4.669 -1.723 -7.228 261 HD12 ILE 34 HD12 ILE 34 -5.984 -1.864 -6.060 262 HD13 ILE 34 HD13 ILE 34 -5.717 -3.142 -7.246 263 H SER 35 H SER 35 -5.016 -4.335 -1.696 264 HA SER 35 HA SER 35 -7.527 -5.631 -0.772 265 HB2 SER 35 HB2 SER 35 -6.465 -7.303 -2.269 266 HB3 SER 35 HB3 SER 35 -4.999 -7.255 -1.291 267 HG SER 35 HG SER 35 -5.938 -8.441 0.179 268 H LYS 36 H LYS 36 -7.698 -5.384 1.370 269 HA LYS 36 HA LYS 36 -5.369 -4.507 2.889 270 HB2 LYS 36 HB2 LYS 36 -8.294 -4.696 3.402 271 HB3 LYS 36 HB3 LYS 36 -7.232 -4.729 4.802 272 HG2 LYS 36 HG2 LYS 36 -6.238 -2.601 4.071 273 HG3 LYS 36 HG3 LYS 36 -7.365 -2.561 2.716 274 HD2 LYS 36 HD2 LYS 36 -8.375 -2.823 5.524 275 HD3 LYS 36 HD3 LYS 36 -7.925 -1.242 4.882 276 HE2 LYS 36 HE2 LYS 36 -9.828 -3.081 3.458 277 HE3 LYS 36 HE3 LYS 36 -10.369 -1.923 4.672 278 HZ1 LYS 36 HZ1 LYS 36 -10.586 -0.976 2.494 279 HZ2 LYS 36 HZ2 LYS 36 -8.968 -1.297 2.129 280 HZ3 LYS 36 HZ3 LYS 36 -9.355 -0.155 3.315 281 H GLU 37 H GLU 37 -6.843 -7.479 2.127 282 HA GLU 37 HA GLU 37 -5.355 -8.815 4.372 283 HB2 GLU 37 HB2 GLU 37 -7.913 -9.636 2.945 284 HB3 GLU 37 HB3 GLU 37 -6.984 -10.715 3.979 285 HG2 GLU 37 HG2 GLU 37 -7.324 -9.218 5.866 286 HG3 GLU 37 HG3 GLU 37 -8.229 -8.112 4.834 287 H THR 38 H THR 38 -3.434 -8.898 3.266 288 HA THR 38 HA THR 38 -3.433 -10.195 0.609 289 HB THR 38 HB THR 38 -1.058 -9.623 0.524 290 HG1 THR 38 HG1 THR 38 0.022 -9.086 2.280 291 HG21 THR 38 HG21 THR 38 -2.721 -7.922 -0.119 292 HG22 THR 38 HG22 THR 38 -1.260 -7.196 0.551 293 HG23 THR 38 HG23 THR 38 -2.718 -7.310 1.535 294 H GLY 39 H GLY 39 -3.596 -11.367 3.662 295 HA2 GLY 39 HA2 GLY 39 -3.399 -13.799 3.895 296 HA3 GLY 39 HA3 GLY 39 -1.948 -13.742 2.906 297 H GLU 40 H GLU 40 -1.666 -11.069 4.709 298 HA GLU 40 HA GLU 40 -0.572 -12.421 7.114 299 HB2 GLU 40 HB2 GLU 40 1.159 -11.799 5.217 300 HB3 GLU 40 HB3 GLU 40 0.945 -10.168 5.835 301 HG2 GLU 40 HG2 GLU 40 2.838 -11.069 6.916 302 HG3 GLU 40 HG3 GLU 40 1.535 -11.052 8.104 303 H ALA 41 H ALA 41 -1.006 -11.333 8.982 304 HA ALA 41 HA ALA 41 -2.937 -9.237 8.867 305 HB1 ALA 41 HB1 ALA 41 -1.177 -10.018 11.204 306 HB2 ALA 41 HB2 ALA 41 -2.716 -10.768 10.782 307 HB3 ALA 41 HB3 ALA 41 -2.668 -9.080 11.289 308 H GLY 42 H GLY 42 -2.830 -7.048 8.958 309 HA2 GLY 42 HA2 GLY 42 -1.849 -4.951 9.086 310 HA3 GLY 42 HA3 GLY 42 -0.378 -5.687 9.694 311 H TRP 43 H TRP 43 -1.229 -7.212 6.772 312 HA TRP 43 HA TRP 43 0.671 -5.419 5.366 313 HB2 TRP 43 HB2 TRP 43 0.081 -8.357 5.078 314 HB3 TRP 43 HB3 TRP 43 0.857 -7.462 3.778 315 HD1 TRP 43 HD1 TRP 43 1.472 -8.066 7.568 316 HE1 TRP 43 HE1 TRP 43 4.030 -8.260 7.964 317 HE3 TRP 43 HE3 TRP 43 3.035 -7.196 2.779 318 HZ2 TRP 43 HZ2 TRP 43 6.370 -8.057 6.384 319 HZ3 TRP 43 HZ3 TRP 43 5.449 -7.212 2.305 320 HH2 TRP 43 HH2 TRP 43 7.081 -7.634 4.071 321 H TRP 44 H TRP 44 0.167 -4.438 3.491 322 HA TRP 44 HA TRP 44 -2.548 -5.018 2.370 323 HB2 TRP 44 HB2 TRP 44 -1.153 -2.352 2.750 324 HB3 TRP 44 HB3 TRP 44 -2.549 -2.559 1.701 325 HD1 TRP 44 HD1 TRP 44 -3.263 -4.697 4.540 326 HE1 TRP 44 HE1 TRP 44 -4.755 -3.528 6.306 327 HE3 TRP 44 HE3 TRP 44 -2.718 0.117 2.904 328 HZ2 TRP 44 HZ2 TRP 44 -5.565 -0.883 6.875 329 HZ3 TRP 44 HZ3 TRP 44 -3.893 1.909 4.118 330 HH2 TRP 44 HH2 TRP 44 -5.285 1.417 6.062 331 H LYS 45 H LYS 45 -2.843 -4.548 0.117 332 HA LYS 45 HA LYS 45 -0.267 -4.738 -1.387 333 HB2 LYS 45 HB2 LYS 45 -1.519 -6.891 -1.411 334 HB3 LYS 45 HB3 LYS 45 -2.897 -6.064 -2.124 335 HG2 LYS 45 HG2 LYS 45 -1.596 -5.537 -4.101 336 HG3 LYS 45 HG3 LYS 45 -0.169 -6.281 -3.382 337 HD2 LYS 45 HD2 LYS 45 -1.324 -8.442 -3.339 338 HD3 LYS 45 HD3 LYS 45 -2.746 -7.694 -4.070 339 HE2 LYS 45 HE2 LYS 45 -0.003 -7.818 -5.324 340 HE3 LYS 45 HE3 LYS 45 -1.342 -8.894 -5.712 341 HZ1 LYS 45 HZ1 LYS 45 -2.617 -6.906 -6.397 342 HZ2 LYS 45 HZ2 LYS 45 -1.236 -7.163 -7.338 343 HZ3 LYS 45 HZ3 LYS 45 -1.237 -5.957 -6.153 344 H GLY 46 H GLY 46 0.054 -3.254 -2.916 345 HA2 GLY 46 HA2 GLY 46 -2.322 -1.860 -4.013 346 HA3 GLY 46 HA3 GLY 46 -1.098 -0.895 -3.206 347 H GLU 47 H GLU 47 -1.495 -0.044 -5.584 348 HA GLU 47 HA GLU 47 0.711 -1.241 -7.209 349 HB2 GLU 47 HB2 GLU 47 -1.595 -1.656 -8.121 350 HB3 GLU 47 HB3 GLU 47 -1.783 0.082 -8.300 351 HG2 GLU 47 HG2 GLU 47 0.544 -1.295 -9.563 352 HG3 GLU 47 HG3 GLU 47 -1.046 -1.376 -10.320 353 H LEU 48 H LEU 48 2.255 0.091 -7.911 354 HA LEU 48 HA LEU 48 1.793 2.985 -8.220 355 HB2 LEU 48 HB2 LEU 48 2.227 2.702 -5.743 356 HB3 LEU 48 HB3 LEU 48 3.795 2.019 -6.122 357 HG LEU 48 HG LEU 48 4.416 4.162 -7.229 358 HD11 LEU 48 HD11 LEU 48 1.794 5.110 -6.079 359 HD12 LEU 48 HD12 LEU 48 2.199 4.970 -7.790 360 HD13 LEU 48 HD13 LEU 48 3.039 6.145 -6.779 361 HD21 LEU 48 HD21 LEU 48 4.706 5.429 -5.146 362 HD22 LEU 48 HD22 LEU 48 5.098 3.721 -4.942 363 HD23 LEU 48 HD23 LEU 48 3.564 4.353 -4.342 364 H ASN 49 H ASN 49 2.930 3.651 -9.871 365 HA ASN 49 HA ASN 49 4.528 3.742 -11.562 366 HB2 ASN 49 HB2 ASN 49 6.297 2.225 -9.583 367 HB3 ASN 49 HB3 ASN 49 6.835 3.089 -11.019 368 HD21 ASN 49 HD21 ASN 49 7.510 3.401 -8.147 369 HD22 ASN 49 HD22 ASN 49 7.150 5.125 -7.785 370 H GLY 50 H GLY 50 2.571 1.699 -11.546 371 HA2 GLY 50 HA2 GLY 50 2.078 -0.080 -12.924 372 HA3 GLY 50 HA3 GLY 50 3.690 0.037 -13.605 373 H LYS 51 H LYS 51 3.951 -0.323 -10.220 374 HA LYS 51 HA LYS 51 4.367 -3.243 -10.632 375 HB2 LYS 51 HB2 LYS 51 5.614 -1.406 -8.583 376 HB3 LYS 51 HB3 LYS 51 6.000 -3.103 -8.834 377 HG2 LYS 51 HG2 LYS 51 6.511 -0.828 -10.730 378 HG3 LYS 51 HG3 LYS 51 7.707 -1.742 -9.815 379 HD2 LYS 51 HD2 LYS 51 7.052 -3.775 -11.058 380 HD3 LYS 51 HD3 LYS 51 5.932 -2.799 -12.013 381 HE2 LYS 51 HE2 LYS 51 8.912 -2.351 -11.857 382 HE3 LYS 51 HE3 LYS 51 8.096 -3.222 -13.153 383 HZ1 LYS 51 HZ1 LYS 51 7.727 -0.358 -12.448 384 HZ2 LYS 51 HZ2 LYS 51 6.835 -1.179 -13.627 385 HZ3 LYS 51 HZ3 LYS 51 8.500 -0.968 -13.824 386 H GLU 52 H GLU 52 3.333 -4.671 -9.459 387 HA GLU 52 HA GLU 52 1.501 -3.672 -7.325 388 HB2 GLU 52 HB2 GLU 52 0.291 -5.812 -7.697 389 HB3 GLU 52 HB3 GLU 52 0.330 -4.761 -9.106 390 HG2 GLU 52 HG2 GLU 52 2.216 -6.124 -9.989 391 HG3 GLU 52 HG3 GLU 52 1.995 -7.224 -8.630 392 H GLY 53 H GLY 53 1.570 -4.567 -5.221 393 HA2 GLY 53 HA2 GLY 53 2.916 -7.015 -4.628 394 HA3 GLY 53 HA3 GLY 53 4.038 -5.692 -4.377 395 H VAL 54 H VAL 54 3.721 -7.104 -2.260 396 HA VAL 54 HA VAL 54 1.492 -5.969 -0.648 397 HB VAL 54 HB VAL 54 1.990 -7.690 1.000 398 HG11 VAL 54 HG11 VAL 54 0.470 -8.250 -0.809 399 HG12 VAL 54 HG12 VAL 54 1.400 -9.667 -0.323 400 HG13 VAL 54 HG13 VAL 54 1.821 -8.798 -1.799 401 HG21 VAL 54 HG21 VAL 54 3.693 -9.386 0.635 402 HG22 VAL 54 HG22 VAL 54 4.431 -7.784 0.673 403 HG23 VAL 54 HG23 VAL 54 4.181 -8.604 -0.868 404 H PHE 55 H PHE 55 1.988 -5.418 1.643 405 HA PHE 55 HA PHE 55 4.574 -4.776 2.557 406 HB2 PHE 55 HB2 PHE 55 4.725 -2.358 2.107 407 HB3 PHE 55 HB3 PHE 55 4.730 -3.289 0.614 408 HD1 PHE 55 HD2 PHE 55 2.802 -0.983 2.713 409 HD2 PHE 55 HD1 PHE 55 2.882 -3.163 -0.940 410 HE1 PHE 55 HE2 PHE 55 0.906 0.343 1.890 411 HE2 PHE 55 HE1 PHE 55 0.988 -1.833 -1.773 412 HZ PHE 55 HZ PHE 55 -0.001 -0.077 -0.358 413 HA PRO 56 HA PRO 56 2.328 -3.637 6.187 414 HB2 PRO 56 HB2 PRO 56 4.201 -2.161 7.248 415 HB3 PRO 56 HB3 PRO 56 3.946 -3.846 7.711 416 HG2 PRO 56 HG2 PRO 56 5.878 -2.678 5.804 417 HG3 PRO 56 HG3 PRO 56 5.978 -4.182 6.736 418 HD2 PRO 56 HD2 PRO 56 5.524 -4.169 4.075 419 HD3 PRO 56 HD3 PRO 56 4.825 -5.391 5.146 420 H ASP 57 H ASP 57 1.085 -2.112 7.173 421 HA ASP 57 HA ASP 57 0.844 0.027 5.161 422 HB2 ASP 57 HB2 ASP 57 -1.401 0.324 5.828 423 HB3 ASP 57 HB3 ASP 57 -1.111 -1.394 5.609 424 H ASN 58 H ASN 58 2.823 -0.015 7.723 425 HA ASN 58 HA ASN 58 1.611 2.014 9.402 426 HB2 ASN 58 HB2 ASN 58 4.418 0.880 9.285 427 HB3 ASN 58 HB3 ASN 58 3.843 2.000 10.513 428 HD21 ASN 58 HD21 ASN 58 3.795 -1.263 9.312 429 HD22 ASN 58 HD22 ASN 58 2.947 -1.977 10.727 430 H PHE 59 H PHE 59 3.108 2.089 6.347 431 HA PHE 59 HA PHE 59 4.144 4.828 6.850 432 HB2 PHE 59 HB2 PHE 59 4.692 2.918 4.566 433 HB3 PHE 59 HB3 PHE 59 5.331 4.553 4.685 434 HD1 PHE 59 HD1 PHE 59 5.329 1.245 6.350 435 HD2 PHE 59 HD2 PHE 59 7.287 4.993 5.885 436 HE1 PHE 59 HE1 PHE 59 7.246 0.397 7.635 437 HE2 PHE 59 HE2 PHE 59 9.210 4.152 7.169 438 HZ PHE 59 HZ PHE 59 9.191 1.852 8.046 439 H ALA 60 H ALA 60 1.290 3.479 6.028 440 HA ALA 60 HA ALA 60 0.549 5.858 4.453 441 HB1 ALA 60 HB1 ALA 60 -0.625 4.506 2.770 442 HB2 ALA 60 HB2 ALA 60 0.044 3.042 3.496 443 HB3 ALA 60 HB3 ALA 60 1.116 4.226 2.748 444 H VAL 61 H VAL 61 -1.651 6.416 4.581 445 HA VAL 61 HA VAL 61 -3.200 4.815 6.580 446 HB VAL 61 HB VAL 61 -2.498 6.991 7.496 447 HG11 VAL 61 HG11 VAL 61 -3.363 9.078 6.597 448 HG12 VAL 61 HG12 VAL 61 -4.131 8.207 5.270 449 HG13 VAL 61 HG13 VAL 61 -2.374 8.248 5.396 450 HG21 VAL 61 HG21 VAL 61 -4.607 5.979 8.224 451 HG22 VAL 61 HG22 VAL 61 -5.462 6.847 6.947 452 HG23 VAL 61 HG23 VAL 61 -4.688 7.741 8.256 453 H GLN 62 H GLN 62 -5.266 4.267 6.123 454 HA GLN 62 HA GLN 62 -6.215 4.709 3.397 455 HB2 GLN 62 HB2 GLN 62 -6.520 2.533 4.380 456 HB3 GLN 62 HB3 GLN 62 -7.341 3.223 5.772 457 HG2 GLN 62 HG2 GLN 62 -8.679 3.950 3.327 458 HG3 GLN 62 HG3 GLN 62 -8.497 2.203 3.456 459 HE21 GLN 62 HE21 GLN 62 -10.588 1.678 3.846 460 HE22 GLN 62 HE22 GLN 62 -11.462 2.188 5.332 461 H ILE 63 H ILE 63 -7.800 6.072 2.703 462 HA ILE 63 HA ILE 63 -8.530 8.285 4.449 463 HB ILE 63 HB ILE 63 -9.692 7.481 1.738 464 HG12 ILE 63 HG12 ILE 63 -7.285 7.852 1.607 465 HG13 ILE 63 HG13 ILE 63 -8.138 9.196 0.857 466 HG21 ILE 63 HG21 ILE 63 -9.836 10.065 3.286 467 HG22 ILE 63 HG22 ILE 63 -11.177 8.986 2.901 468 HG23 ILE 63 HG23 ILE 63 -10.351 9.859 1.612 469 HD11 ILE 63 HD11 ILE 63 -6.901 9.184 3.600 470 HD12 ILE 63 HD12 ILE 63 -7.790 10.527 2.885 471 HD13 ILE 63 HD13 ILE 63 -6.271 9.992 2.166 472 H SER 64 H SER 64 -10.499 5.707 2.794 473 HA SER 64 HA SER 64 -12.239 5.368 5.083 474 HB2 SER 64 HB2 SER 64 -13.261 6.973 2.737 475 HB3 SER 64 HB3 SER 64 -14.337 6.119 3.838 476 HG SER 64 HG SER 64 -13.004 8.468 4.185 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -15.987 -11.724 5.649 2 H2 GLY 1 H2 GLY 1 -16.577 -10.260 5.043 3 H3 GLY 1 H3 GLY 1 -15.722 -10.287 6.502 4 HA2 GLY 1 HA2 GLY 1 -13.713 -10.984 5.351 5 HA3 GLY 1 HA3 GLY 1 -14.601 -10.959 3.835 6 H ALA 2 H ALA 2 -13.458 -9.400 2.760 7 HA ALA 2 HA ALA 2 -13.884 -6.662 3.784 8 HB1 ALA 2 HB1 ALA 2 -11.557 -6.004 3.389 9 HB2 ALA 2 HB2 ALA 2 -11.153 -7.675 2.993 10 HB3 ALA 2 HB3 ALA 2 -11.672 -7.258 4.626 11 H MET 3 H MET 3 -15.295 -6.085 2.153 12 HA MET 3 HA MET 3 -14.370 -6.685 -0.601 13 HB2 MET 3 HB2 MET 3 -16.795 -7.074 0.426 14 HB3 MET 3 HB3 MET 3 -17.017 -5.413 -0.105 15 HG2 MET 3 HG2 MET 3 -16.485 -6.010 -2.369 16 HG3 MET 3 HG3 MET 3 -16.081 -7.654 -1.878 17 HE1 MET 3 HE1 MET 3 -17.993 -7.311 -4.267 18 HE2 MET 3 HE2 MET 3 -19.308 -8.408 -3.845 19 HE3 MET 3 HE3 MET 3 -17.636 -8.872 -3.529 20 H GLY 4 H GLY 4 -13.337 -5.317 -1.745 21 HA2 GLY 4 HA2 GLY 4 -12.414 -2.902 -1.378 22 HA3 GLY 4 HA3 GLY 4 -13.095 -3.299 -2.940 23 H ALA 5 H ALA 5 -12.943 -0.855 -0.784 24 HA ALA 5 HA ALA 5 -15.759 -0.035 -1.384 25 HB1 ALA 5 HB1 ALA 5 -15.629 1.395 0.573 26 HB2 ALA 5 HB2 ALA 5 -13.959 0.900 0.849 27 HB3 ALA 5 HB3 ALA 5 -15.265 -0.275 1.008 28 H LYS 6 H LYS 6 -12.974 0.263 -2.860 29 HA LYS 6 HA LYS 6 -12.074 1.838 -4.253 30 HB2 LYS 6 HB2 LYS 6 -14.774 2.964 -3.814 31 HB3 LYS 6 HB3 LYS 6 -13.552 4.142 -4.269 32 HG2 LYS 6 HG2 LYS 6 -14.522 3.458 -6.282 33 HG3 LYS 6 HG3 LYS 6 -12.988 2.595 -6.199 34 HD2 LYS 6 HD2 LYS 6 -14.565 1.001 -6.919 35 HD3 LYS 6 HD3 LYS 6 -14.301 0.657 -5.210 36 HE2 LYS 6 HE2 LYS 6 -16.345 1.799 -4.621 37 HE3 LYS 6 HE3 LYS 6 -16.584 2.304 -6.293 38 HZ1 LYS 6 HZ1 LYS 6 -16.811 -0.027 -6.917 39 HZ2 LYS 6 HZ2 LYS 6 -17.963 0.405 -5.757 40 HZ3 LYS 6 HZ3 LYS 6 -16.607 -0.498 -5.304 41 H GLU 7 H GLU 7 -10.643 1.606 -2.428 42 HA GLU 7 HA GLU 7 -10.440 4.114 -0.806 43 HB2 GLU 7 HB2 GLU 7 -9.319 1.376 -0.234 44 HB3 GLU 7 HB3 GLU 7 -9.195 2.785 0.810 45 HG2 GLU 7 HG2 GLU 7 -11.270 2.533 1.610 46 HG3 GLU 7 HG3 GLU 7 -11.934 2.080 0.042 47 H TYR 8 H TYR 8 -8.812 5.383 -0.901 48 HA TYR 8 HA TYR 8 -6.291 4.451 -2.206 49 HB2 TYR 8 HB2 TYR 8 -7.466 7.249 -2.213 50 HB3 TYR 8 HB3 TYR 8 -5.950 6.768 -2.966 51 HD1 TYR 8 HD2 TYR 8 -9.626 6.287 -3.113 52 HD2 TYR 8 HD1 TYR 8 -5.913 5.870 -5.148 53 HE1 TYR 8 HE2 TYR 8 -10.831 5.757 -5.188 54 HE2 TYR 8 HE1 TYR 8 -7.106 5.340 -7.229 55 HH TYR 8 HH TYR 8 -9.367 4.410 -7.877 56 H CYS 9 H CYS 9 -4.283 5.677 -1.354 57 HA CYS 9 HA CYS 9 -4.768 6.731 1.351 58 HB2 CYS 9 HB2 CYS 9 -3.047 5.243 2.345 59 HB3 CYS 9 HB3 CYS 9 -4.478 4.379 1.796 60 HG CYS 9 HG CYS 9 -1.660 4.571 -0.121 61 H ARG 10 H ARG 10 -3.237 8.081 2.165 62 HA ARG 10 HA ARG 10 -1.193 8.966 0.205 63 HB2 ARG 10 HB2 ARG 10 -2.862 10.600 1.145 64 HB3 ARG 10 HB3 ARG 10 -2.141 10.342 2.725 65 HG2 ARG 10 HG2 ARG 10 0.022 11.148 1.804 66 HG3 ARG 10 HG3 ARG 10 -0.817 11.535 0.301 67 HD2 ARG 10 HD2 ARG 10 -1.256 12.729 3.029 68 HD3 ARG 10 HD3 ARG 10 -0.691 13.543 1.572 69 HE ARG 10 HE ARG 10 -3.452 12.879 2.293 70 HH11 ARG 10 HH11 ARG 10 -1.229 13.830 -0.298 71 HH12 ARG 10 HH12 ARG 10 -2.483 14.483 -1.294 72 HH21 ARG 10 HH21 ARG 10 -5.067 13.749 0.947 73 HH22 ARG 10 HH22 ARG 10 -4.662 14.438 -0.589 74 H THR 11 H THR 11 0.953 8.668 0.562 75 HA THR 11 HA THR 11 1.680 7.028 2.851 76 HB THR 11 HB THR 11 3.995 7.163 1.930 77 HG1 THR 11 HG1 THR 11 4.369 8.290 0.071 78 HG21 THR 11 HG21 THR 11 2.535 5.356 1.245 79 HG22 THR 11 HG22 THR 11 3.502 5.888 -0.130 80 HG23 THR 11 HG23 THR 11 1.812 6.374 0.000 81 H LEU 12 H LEU 12 2.179 7.702 4.788 82 HA LEU 12 HA LEU 12 2.952 10.505 5.150 83 HB2 LEU 12 HB2 LEU 12 2.401 8.418 7.238 84 HB3 LEU 12 HB3 LEU 12 2.567 10.141 7.516 85 HG LEU 12 HG LEU 12 0.351 8.834 5.932 86 HD11 LEU 12 HD11 LEU 12 0.134 8.333 8.280 87 HD12 LEU 12 HD12 LEU 12 -1.068 9.540 7.822 88 HD13 LEU 12 HD13 LEU 12 0.382 10.029 8.698 89 HD21 LEU 12 HD21 LEU 12 -0.677 11.061 5.970 90 HD22 LEU 12 HD22 LEU 12 0.859 11.063 5.104 91 HD23 LEU 12 HD23 LEU 12 0.770 11.710 6.742 92 H PHE 13 H PHE 13 4.438 7.448 4.831 93 HA PHE 13 HA PHE 13 7.017 8.584 5.679 94 HB2 PHE 13 HB2 PHE 13 5.928 5.999 6.826 95 HB3 PHE 13 HB3 PHE 13 7.574 6.585 7.036 96 HD1 PHE 13 HD1 PHE 13 8.026 8.534 8.448 97 HD2 PHE 13 HD2 PHE 13 4.106 6.919 8.075 98 HE1 PHE 13 HE1 PHE 13 7.325 9.784 10.447 99 HE2 PHE 13 HE2 PHE 13 3.397 8.167 10.074 100 HZ PHE 13 HZ PHE 13 5.008 9.603 11.262 101 HA PRO 14 HA PRO 14 8.307 6.100 2.236 102 HB2 PRO 14 HB2 PRO 14 11.042 5.982 3.011 103 HB3 PRO 14 HB3 PRO 14 10.275 7.186 1.976 104 HG2 PRO 14 HG2 PRO 14 11.346 7.646 4.516 105 HG3 PRO 14 HG3 PRO 14 10.262 8.730 3.632 106 HD2 PRO 14 HD2 PRO 14 9.652 6.811 5.829 107 HD3 PRO 14 HD3 PRO 14 8.909 8.382 5.456 108 H TYR 15 H TYR 15 8.959 4.035 1.551 109 HA TYR 15 HA TYR 15 9.845 2.101 3.614 110 HB2 TYR 15 HB2 TYR 15 7.442 1.908 3.722 111 HB3 TYR 15 HB3 TYR 15 7.321 1.834 1.968 112 HD1 TYR 15 HD1 TYR 15 8.970 0.014 4.785 113 HD2 TYR 15 HD2 TYR 15 7.069 -0.243 0.988 114 HE1 TYR 15 HE1 TYR 15 9.090 -2.438 4.897 115 HE2 TYR 15 HE2 TYR 15 7.183 -2.697 1.090 116 HH TYR 15 HH TYR 15 7.734 -4.390 3.849 117 H THR 16 H THR 16 11.332 0.742 2.864 118 HA THR 16 HA THR 16 11.643 0.586 -0.097 119 HB THR 16 HB THR 16 13.742 0.053 2.016 120 HG1 THR 16 HG1 THR 16 13.286 2.339 0.370 121 HG21 THR 16 HG21 THR 16 13.926 0.306 -0.989 122 HG22 THR 16 HG22 THR 16 14.172 -1.161 -0.042 123 HG23 THR 16 HG23 THR 16 15.305 0.182 0.103 124 H GLY 17 H GLY 17 11.504 -1.351 -1.138 125 HA2 GLY 17 HA2 GLY 17 10.750 -3.659 0.532 126 HA3 GLY 17 HA3 GLY 17 10.606 -3.521 -1.211 127 H THR 18 H THR 18 11.585 -5.728 0.292 128 HA THR 18 HA THR 18 14.463 -5.702 -0.553 129 HB THR 18 HB THR 18 14.829 -7.547 1.057 130 HG1 THR 18 HG1 THR 18 13.151 -8.510 1.896 131 HG21 THR 18 HG21 THR 18 14.660 -6.184 3.089 132 HG22 THR 18 HG22 THR 18 13.571 -5.074 2.254 133 HG23 THR 18 HG23 THR 18 15.246 -5.233 1.724 134 H ASN 19 H ASN 19 11.625 -6.655 -1.821 135 HA ASN 19 HA ASN 19 12.871 -8.995 -3.189 136 HB2 ASN 19 HB2 ASN 19 10.152 -8.985 -1.826 137 HB3 ASN 19 HB3 ASN 19 10.655 -10.186 -3.010 138 HD21 ASN 19 HD21 ASN 19 11.056 -8.955 0.227 139 HD22 ASN 19 HD22 ASN 19 12.002 -10.353 0.847 140 H GLU 20 H GLU 20 11.685 -9.594 -5.159 141 HA GLU 20 HA GLU 20 11.062 -7.243 -6.696 142 HB2 GLU 20 HB2 GLU 20 12.142 -9.325 -7.572 143 HB3 GLU 20 HB3 GLU 20 10.582 -10.127 -7.454 144 HG2 GLU 20 HG2 GLU 20 9.634 -8.683 -9.097 145 HG3 GLU 20 HG3 GLU 20 11.065 -7.655 -9.096 146 H ASP 21 H ASP 21 9.139 -9.177 -4.629 147 HA ASP 21 HA ASP 21 6.656 -8.558 -6.095 148 HB2 ASP 21 HB2 ASP 21 7.143 -10.203 -3.610 149 HB3 ASP 21 HB3 ASP 21 5.573 -9.976 -4.374 150 H GLU 22 H GLU 22 8.421 -7.830 -3.132 151 HA GLU 22 HA GLU 22 6.339 -6.356 -1.825 152 HB2 GLU 22 HB2 GLU 22 8.510 -7.401 -0.886 153 HB3 GLU 22 HB3 GLU 22 9.288 -5.920 -1.420 154 HG2 GLU 22 HG2 GLU 22 8.078 -4.606 0.092 155 HG3 GLU 22 HG3 GLU 22 6.895 -5.884 0.384 156 H LEU 23 H LEU 23 5.929 -4.157 -1.692 157 HA LEU 23 HA LEU 23 6.812 -2.661 -4.055 158 HB2 LEU 23 HB2 LEU 23 4.577 -2.561 -2.216 159 HB3 LEU 23 HB3 LEU 23 5.265 -0.967 -2.463 160 HG LEU 23 HG LEU 23 4.353 -2.798 -4.687 161 HD11 LEU 23 HD11 LEU 23 3.012 -0.383 -3.478 162 HD12 LEU 23 HD12 LEU 23 2.460 -2.055 -3.363 163 HD13 LEU 23 HD13 LEU 23 2.479 -1.238 -4.926 164 HD21 LEU 23 HD21 LEU 23 4.577 -0.772 -6.070 165 HD22 LEU 23 HD22 LEU 23 6.117 -1.295 -5.389 166 HD23 LEU 23 HD23 LEU 23 5.263 0.077 -4.686 167 H THR 24 H THR 24 7.795 -0.648 -4.097 168 HA THR 24 HA THR 24 9.160 0.143 -1.559 169 HB THR 24 HB THR 24 10.394 0.108 -4.336 170 HG1 THR 24 HG1 THR 24 10.630 -1.920 -3.611 171 HG21 THR 24 HG21 THR 24 11.229 2.016 -3.151 172 HG22 THR 24 HG22 THR 24 12.475 0.768 -3.105 173 HG23 THR 24 HG23 THR 24 11.472 1.068 -1.687 174 H PHE 25 H PHE 25 8.852 2.284 -1.038 175 HA PHE 25 HA PHE 25 8.446 4.217 -3.191 176 HB2 PHE 25 HB2 PHE 25 6.290 5.032 -2.259 177 HB3 PHE 25 HB3 PHE 25 6.187 3.418 -2.949 178 HD1 PHE 25 HD1 PHE 25 6.184 5.361 0.165 179 HD2 PHE 25 HD2 PHE 25 5.702 1.512 -1.588 180 HE1 PHE 25 HE1 PHE 25 5.216 4.527 2.267 181 HE2 PHE 25 HE2 PHE 25 4.733 0.673 0.511 182 HZ PHE 25 HZ PHE 25 4.489 2.182 2.443 183 H ARG 26 H ARG 26 8.291 6.468 -2.360 184 HA ARG 26 HA ARG 26 9.675 6.687 0.268 185 HB2 ARG 26 HB2 ARG 26 9.852 8.265 -2.264 186 HB3 ARG 26 HB3 ARG 26 10.152 9.090 -0.741 187 HG2 ARG 26 HG2 ARG 26 12.237 8.355 -1.686 188 HG3 ARG 26 HG3 ARG 26 11.902 7.437 -0.218 189 HD2 ARG 26 HD2 ARG 26 11.027 5.595 -1.623 190 HD3 ARG 26 HD3 ARG 26 11.488 6.509 -3.057 191 HE ARG 26 HE ARG 26 13.744 6.222 -1.330 192 HH11 ARG 26 HH11 ARG 26 11.700 4.359 -3.541 193 HH12 ARG 26 HH12 ARG 26 12.947 3.223 -3.929 194 HH21 ARG 26 HH21 ARG 26 15.357 4.702 -1.866 195 HH22 ARG 26 HH22 ARG 26 15.023 3.416 -2.977 196 H GLU 27 H GLU 27 9.171 8.790 1.501 197 HA GLU 27 HA GLU 27 6.375 8.849 1.999 198 HB2 GLU 27 HB2 GLU 27 8.188 9.470 3.616 199 HB3 GLU 27 HB3 GLU 27 8.411 10.969 2.725 200 HG2 GLU 27 HG2 GLU 27 5.651 10.689 3.365 201 HG3 GLU 27 HG3 GLU 27 6.609 10.420 4.819 202 H GLY 28 H GLY 28 4.732 10.239 1.477 203 HA2 GLY 28 HA2 GLY 28 3.706 12.018 0.345 204 HA3 GLY 28 HA3 GLY 28 5.283 12.583 -0.199 205 H GLU 29 H GLU 29 2.704 10.200 -0.752 206 HA GLU 29 HA GLU 29 2.842 10.354 -3.589 207 HB2 GLU 29 HB2 GLU 29 4.984 8.898 -2.668 208 HB3 GLU 29 HB3 GLU 29 3.776 7.644 -2.899 209 HG2 GLU 29 HG2 GLU 29 4.822 9.571 -4.955 210 HG3 GLU 29 HG3 GLU 29 5.061 7.826 -4.896 211 H ILE 30 H ILE 30 0.875 9.688 -4.274 212 HA ILE 30 HA ILE 30 -0.803 8.251 -2.324 213 HB ILE 30 HB ILE 30 -1.556 9.363 -5.030 214 HG12 ILE 30 HG12 ILE 30 -0.818 11.150 -3.540 215 HG13 ILE 30 HG13 ILE 30 -2.563 11.227 -3.759 216 HG21 ILE 30 HG21 ILE 30 -3.251 8.379 -2.737 217 HG22 ILE 30 HG22 ILE 30 -3.088 7.637 -4.329 218 HG23 ILE 30 HG23 ILE 30 -3.868 9.209 -4.166 219 HD11 ILE 30 HD11 ILE 30 -1.108 10.124 -1.369 220 HD12 ILE 30 HD12 ILE 30 -2.858 10.119 -1.586 221 HD13 ILE 30 HD13 ILE 30 -1.988 11.649 -1.460 222 H ILE 31 H ILE 31 -1.288 6.178 -2.371 223 HA ILE 31 HA ILE 31 -0.501 4.649 -4.808 224 HB ILE 31 HB ILE 31 -0.779 3.607 -1.983 225 HG12 ILE 31 HG12 ILE 31 1.745 4.266 -3.519 226 HG13 ILE 31 HG13 ILE 31 1.077 5.244 -2.217 227 HG21 ILE 31 HG21 ILE 31 0.347 2.357 -4.485 228 HG22 ILE 31 HG22 ILE 31 -1.117 1.877 -3.629 229 HG23 ILE 31 HG23 ILE 31 0.458 1.658 -2.870 230 HD11 ILE 31 HD11 ILE 31 1.392 3.373 -0.669 231 HD12 ILE 31 HD12 ILE 31 2.906 3.883 -1.417 232 HD13 ILE 31 HD13 ILE 31 2.093 2.422 -1.978 233 H HIS 32 H HIS 32 -1.837 2.836 -5.431 234 HA HIS 32 HA HIS 32 -4.686 3.373 -4.829 235 HB2 HIS 32 HB2 HIS 32 -3.854 3.086 -7.215 236 HB3 HIS 32 HB3 HIS 32 -3.578 1.388 -6.840 237 HD1 HIS 32 HD1 HIS 32 -5.844 0.077 -5.938 238 HD2 HIS 32 HD2 HIS 32 -6.339 3.599 -8.158 239 HE1 HIS 32 HE1 HIS 32 -8.234 0.061 -6.783 240 HE2 HIS 32 HE2 HIS 32 -8.571 2.259 -8.015 241 H LEU 33 H LEU 33 -5.787 2.215 -3.374 242 HA LEU 33 HA LEU 33 -4.456 -0.095 -2.150 243 HB2 LEU 33 HB2 LEU 33 -5.787 1.767 -0.959 244 HB3 LEU 33 HB3 LEU 33 -7.213 0.898 -1.491 245 HG LEU 33 HG LEU 33 -5.047 -0.308 0.231 246 HD11 LEU 33 HD11 LEU 33 -7.746 0.775 1.028 247 HD12 LEU 33 HD12 LEU 33 -6.187 1.513 1.399 248 HD13 LEU 33 HD13 LEU 33 -6.604 -0.058 2.084 249 HD21 LEU 33 HD21 LEU 33 -6.214 -2.006 -0.974 250 HD22 LEU 33 HD22 LEU 33 -7.774 -1.269 -0.617 251 HD23 LEU 33 HD23 LEU 33 -6.828 -2.003 0.678 252 H ILE 34 H ILE 34 -4.612 -2.064 -2.925 253 HA ILE 34 HA ILE 34 -6.896 -2.748 -4.652 254 HB ILE 34 HB ILE 34 -4.436 -4.384 -4.000 255 HG12 ILE 34 HG12 ILE 34 -3.868 -2.283 -5.165 256 HG13 ILE 34 HG13 ILE 34 -3.578 -3.689 -6.184 257 HG21 ILE 34 HG21 ILE 34 -6.252 -5.785 -4.736 258 HG22 ILE 34 HG22 ILE 34 -5.051 -5.664 -6.022 259 HG23 ILE 34 HG23 ILE 34 -6.548 -4.735 -6.121 260 HD11 ILE 34 HD11 ILE 34 -5.615 -3.258 -7.408 261 HD12 ILE 34 HD12 ILE 34 -4.591 -1.822 -7.404 262 HD13 ILE 34 HD13 ILE 34 -5.997 -1.905 -6.343 263 H SER 35 H SER 35 -5.269 -4.007 -1.711 264 HA SER 35 HA SER 35 -7.905 -4.959 -0.729 265 HB2 SER 35 HB2 SER 35 -7.156 -6.856 -2.111 266 HB3 SER 35 HB3 SER 35 -5.611 -6.911 -1.263 267 HG SER 35 HG SER 35 -6.537 -7.996 0.273 268 H LYS 36 H LYS 36 -7.996 -4.869 1.457 269 HA LYS 36 HA LYS 36 -5.586 -3.985 2.853 270 HB2 LYS 36 HB2 LYS 36 -8.439 -4.316 3.787 271 HB3 LYS 36 HB3 LYS 36 -7.138 -3.737 4.822 272 HG2 LYS 36 HG2 LYS 36 -6.788 -1.916 3.069 273 HG3 LYS 36 HG3 LYS 36 -8.356 -2.405 2.428 274 HD2 LYS 36 HD2 LYS 36 -7.831 -1.519 5.265 275 HD3 LYS 36 HD3 LYS 36 -8.523 -0.508 3.995 276 HE2 LYS 36 HE2 LYS 36 -10.433 -1.994 3.818 277 HE3 LYS 36 HE3 LYS 36 -9.726 -3.080 5.013 278 HZ1 LYS 36 HZ1 LYS 36 -11.402 -1.657 6.004 279 HZ2 LYS 36 HZ2 LYS 36 -10.567 -0.274 5.507 280 HZ3 LYS 36 HZ3 LYS 36 -9.880 -1.308 6.655 281 H GLU 37 H GLU 37 -7.121 -6.959 2.253 282 HA GLU 37 HA GLU 37 -5.611 -8.202 4.550 283 HB2 GLU 37 HB2 GLU 37 -8.211 -8.395 4.489 284 HB3 GLU 37 HB3 GLU 37 -7.964 -9.491 3.136 285 HG2 GLU 37 HG2 GLU 37 -6.705 -10.997 4.496 286 HG3 GLU 37 HG3 GLU 37 -6.690 -9.852 5.836 287 H THR 38 H THR 38 -3.697 -8.336 3.407 288 HA THR 38 HA THR 38 -3.734 -9.754 0.825 289 HB THR 38 HB THR 38 -1.339 -9.277 0.738 290 HG1 THR 38 HG1 THR 38 -0.275 -8.840 2.515 291 HG21 THR 38 HG21 THR 38 -2.887 -6.855 1.661 292 HG22 THR 38 HG22 THR 38 -2.971 -7.547 0.042 293 HG23 THR 38 HG23 THR 38 -1.455 -6.863 0.631 294 H GLY 39 H GLY 39 -3.941 -10.846 3.912 295 HA2 GLY 39 HA2 GLY 39 -3.811 -13.305 4.133 296 HA3 GLY 39 HA3 GLY 39 -2.298 -13.254 3.243 297 H GLU 40 H GLU 40 -1.809 -10.637 4.872 298 HA GLU 40 HA GLU 40 -1.017 -11.928 7.474 299 HB2 GLU 40 HB2 GLU 40 0.667 -10.617 5.403 300 HB3 GLU 40 HB3 GLU 40 0.892 -9.971 7.018 301 HG2 GLU 40 HG2 GLU 40 2.500 -11.664 6.738 302 HG3 GLU 40 HG3 GLU 40 1.261 -12.322 7.803 303 H ALA 41 H ALA 41 -1.792 -10.840 9.158 304 HA ALA 41 HA ALA 41 -3.469 -8.611 8.920 305 HB1 ALA 41 HB1 ALA 41 -1.852 -9.395 11.349 306 HB2 ALA 41 HB2 ALA 41 -3.400 -10.097 10.878 307 HB3 ALA 41 HB3 ALA 41 -3.306 -8.397 11.338 308 H GLY 42 H GLY 42 -3.266 -6.402 9.048 309 HA2 GLY 42 HA2 GLY 42 -2.170 -4.363 9.140 310 HA3 GLY 42 HA3 GLY 42 -0.762 -5.171 9.806 311 H TRP 43 H TRP 43 -1.805 -6.570 6.843 312 HA TRP 43 HA TRP 43 0.246 -4.956 5.402 313 HB2 TRP 43 HB2 TRP 43 -0.375 -7.897 5.292 314 HB3 TRP 43 HB3 TRP 43 0.410 -7.087 3.942 315 HD1 TRP 43 HD1 TRP 43 1.018 -7.994 7.630 316 HE1 TRP 43 HE1 TRP 43 3.570 -7.977 8.098 317 HE3 TRP 43 HE3 TRP 43 2.591 -6.152 3.126 318 HZ2 TRP 43 HZ2 TRP 43 5.909 -7.255 6.680 319 HZ3 TRP 43 HZ3 TRP 43 5.002 -5.825 2.763 320 HH2 TRP 43 HH2 TRP 43 6.626 -6.366 4.505 321 H TRP 44 H TRP 44 -0.240 -4.089 3.476 322 HA TRP 44 HA TRP 44 -2.984 -4.649 2.430 323 HB2 TRP 44 HB2 TRP 44 -1.522 -2.024 2.732 324 HB3 TRP 44 HB3 TRP 44 -2.845 -2.218 1.589 325 HD1 TRP 44 HD1 TRP 44 -3.585 -4.174 4.642 326 HE1 TRP 44 HE1 TRP 44 -5.251 -2.919 6.177 327 HE3 TRP 44 HE3 TRP 44 -3.356 0.408 2.395 328 HZ2 TRP 44 HZ2 TRP 44 -6.302 -0.299 6.354 329 HZ3 TRP 44 HZ3 TRP 44 -4.723 2.238 3.309 330 HH2 TRP 44 HH2 TRP 44 -6.165 1.888 5.247 331 H LYS 45 H LYS 45 -3.228 -4.087 0.090 332 HA LYS 45 HA LYS 45 -0.655 -4.522 -1.347 333 HB2 LYS 45 HB2 LYS 45 -3.006 -6.208 -1.328 334 HB3 LYS 45 HB3 LYS 45 -2.694 -5.604 -2.951 335 HG2 LYS 45 HG2 LYS 45 -0.434 -6.469 -2.871 336 HG3 LYS 45 HG3 LYS 45 -0.683 -7.020 -1.215 337 HD2 LYS 45 HD2 LYS 45 -2.431 -8.546 -1.983 338 HD3 LYS 45 HD3 LYS 45 -2.199 -7.983 -3.640 339 HE2 LYS 45 HE2 LYS 45 0.117 -8.787 -3.578 340 HE3 LYS 45 HE3 LYS 45 -0.130 -9.362 -1.931 341 HZ1 LYS 45 HZ1 LYS 45 -0.340 -11.152 -3.536 342 HZ2 LYS 45 HZ2 LYS 45 -1.585 -10.330 -4.333 343 HZ3 LYS 45 HZ3 LYS 45 -1.815 -10.885 -2.752 344 H GLY 46 H GLY 46 -0.209 -3.064 -2.872 345 HA2 GLY 46 HA2 GLY 46 -2.497 -1.619 -4.087 346 HA3 GLY 46 HA3 GLY 46 -1.278 -0.675 -3.248 347 H GLU 47 H GLU 47 -1.537 0.176 -5.622 348 HA GLU 47 HA GLU 47 0.625 -1.146 -7.195 349 HB2 GLU 47 HB2 GLU 47 -1.886 -1.078 -8.060 350 HB3 GLU 47 HB3 GLU 47 -1.424 0.543 -8.560 351 HG2 GLU 47 HG2 GLU 47 0.481 -1.569 -9.285 352 HG3 GLU 47 HG3 GLU 47 -1.098 -1.689 -10.055 353 H LEU 48 H LEU 48 2.353 0.039 -7.649 354 HA LEU 48 HA LEU 48 2.147 3.030 -7.417 355 HB2 LEU 48 HB2 LEU 48 3.034 2.072 -5.324 356 HB3 LEU 48 HB3 LEU 48 4.305 1.274 -6.229 357 HG LEU 48 HG LEU 48 4.830 3.738 -7.029 358 HD11 LEU 48 HD11 LEU 48 4.438 5.364 -5.258 359 HD12 LEU 48 HD12 LEU 48 3.515 4.164 -4.353 360 HD13 LEU 48 HD13 LEU 48 2.919 4.746 -5.908 361 HD21 LEU 48 HD21 LEU 48 5.584 2.534 -4.374 362 HD22 LEU 48 HD22 LEU 48 6.383 3.936 -5.087 363 HD23 LEU 48 HD23 LEU 48 6.438 2.377 -5.909 364 H ASN 49 H ASN 49 2.630 3.750 -9.448 365 HA ASN 49 HA ASN 49 3.699 3.849 -11.585 366 HB2 ASN 49 HB2 ASN 49 6.151 3.155 -9.893 367 HB3 ASN 49 HB3 ASN 49 6.115 4.009 -11.432 368 HD21 ASN 49 HD21 ASN 49 3.826 5.670 -10.812 369 HD22 ASN 49 HD22 ASN 49 4.399 6.868 -9.601 370 H GLY 50 H GLY 50 2.447 1.390 -11.049 371 HA2 GLY 50 HA2 GLY 50 2.304 -0.316 -12.687 372 HA3 GLY 50 HA3 GLY 50 3.992 -0.091 -13.085 373 H LYS 51 H LYS 51 4.238 -0.287 -9.792 374 HA LYS 51 HA LYS 51 4.566 -3.208 -10.039 375 HB2 LYS 51 HB2 LYS 51 5.765 -1.210 -8.126 376 HB3 LYS 51 HB3 LYS 51 6.020 -2.946 -8.018 377 HG2 LYS 51 HG2 LYS 51 7.919 -2.126 -9.093 378 HG3 LYS 51 HG3 LYS 51 6.930 -2.798 -10.390 379 HD2 LYS 51 HD2 LYS 51 6.150 -0.588 -10.993 380 HD3 LYS 51 HD3 LYS 51 7.006 0.121 -9.624 381 HE2 LYS 51 HE2 LYS 51 8.264 0.489 -11.653 382 HE3 LYS 51 HE3 LYS 51 9.139 -0.627 -10.607 383 HZ1 LYS 51 HZ1 LYS 51 7.451 -1.433 -12.916 384 HZ2 LYS 51 HZ2 LYS 51 8.380 -2.464 -11.947 385 HZ3 LYS 51 HZ3 LYS 51 9.140 -1.325 -12.939 386 H GLU 52 H GLU 52 3.362 -4.597 -8.980 387 HA GLU 52 HA GLU 52 1.488 -3.520 -6.931 388 HB2 GLU 52 HB2 GLU 52 0.342 -5.800 -7.377 389 HB3 GLU 52 HB3 GLU 52 0.156 -4.491 -8.533 390 HG2 GLU 52 HG2 GLU 52 2.301 -6.549 -8.891 391 HG3 GLU 52 HG3 GLU 52 0.640 -6.881 -9.379 392 H GLY 53 H GLY 53 1.407 -4.401 -4.849 393 HA2 GLY 53 HA2 GLY 53 2.447 -6.941 -4.150 394 HA3 GLY 53 HA3 GLY 53 3.741 -5.774 -3.938 395 H VAL 54 H VAL 54 3.303 -6.927 -1.722 396 HA VAL 54 HA VAL 54 1.113 -5.615 -0.247 397 HB VAL 54 HB VAL 54 1.829 -6.990 1.663 398 HG11 VAL 54 HG11 VAL 54 1.318 -9.203 0.699 399 HG12 VAL 54 HG12 VAL 54 1.530 -8.525 -0.915 400 HG13 VAL 54 HG13 VAL 54 0.230 -7.943 0.124 401 HG21 VAL 54 HG21 VAL 54 4.240 -7.024 1.203 402 HG22 VAL 54 HG22 VAL 54 3.955 -8.067 -0.190 403 HG23 VAL 54 HG23 VAL 54 3.597 -8.650 1.435 404 H PHE 55 H PHE 55 1.396 -4.190 1.498 405 HA PHE 55 HA PHE 55 4.152 -3.237 1.912 406 HB2 PHE 55 HB2 PHE 55 3.516 -0.873 1.685 407 HB3 PHE 55 HB3 PHE 55 3.351 -1.769 0.185 408 HD1 PHE 55 HD1 PHE 55 1.162 -2.213 -0.766 409 HD2 PHE 55 HD2 PHE 55 1.614 0.041 2.815 410 HE1 PHE 55 HE1 PHE 55 -1.136 -1.369 -1.009 411 HE2 PHE 55 HE2 PHE 55 -0.683 0.884 2.580 412 HZ PHE 55 HZ PHE 55 -2.060 0.182 0.665 413 HA PRO 56 HA PRO 56 4.042 -2.673 5.995 414 HB2 PRO 56 HB2 PRO 56 3.954 0.048 5.538 415 HB3 PRO 56 HB3 PRO 56 4.912 -0.741 6.793 416 HG2 PRO 56 HG2 PRO 56 5.992 -0.126 4.436 417 HG3 PRO 56 HG3 PRO 56 6.433 -1.615 5.287 418 HD2 PRO 56 HD2 PRO 56 4.937 -1.274 2.807 419 HD3 PRO 56 HD3 PRO 56 5.654 -2.744 3.489 420 H ASP 57 H ASP 57 1.976 -0.421 4.817 421 HA ASP 57 HA ASP 57 -0.254 -0.054 5.191 422 HB2 ASP 57 HB2 ASP 57 -0.807 -2.221 6.037 423 HB3 ASP 57 HB3 ASP 57 -0.007 -1.898 7.567 424 H ASN 58 H ASN 58 1.985 0.049 7.925 425 HA ASN 58 HA ASN 58 0.618 2.243 9.254 426 HB2 ASN 58 HB2 ASN 58 3.374 1.071 9.636 427 HB3 ASN 58 HB3 ASN 58 2.658 2.291 10.688 428 HD21 ASN 58 HD21 ASN 58 3.561 -0.447 11.268 429 HD22 ASN 58 HD22 ASN 58 2.116 -1.283 11.936 430 H PHE 59 H PHE 59 2.457 2.228 6.445 431 HA PHE 59 HA PHE 59 3.666 4.895 7.020 432 HB2 PHE 59 HB2 PHE 59 4.054 2.954 4.724 433 HB3 PHE 59 HB3 PHE 59 4.851 4.516 4.859 434 HD1 PHE 59 HD2 PHE 59 5.472 4.506 7.789 435 HD2 PHE 59 HD1 PHE 59 5.826 1.474 4.834 436 HE1 PHE 59 HE2 PHE 59 7.277 3.458 9.088 437 HE2 PHE 59 HE1 PHE 59 7.633 0.415 6.127 438 HZ PHE 59 HZ PHE 59 8.362 1.408 8.257 439 H ALA 60 H ALA 60 0.681 3.982 6.095 440 HA ALA 60 HA ALA 60 0.401 6.405 4.434 441 HB1 ALA 60 HB1 ALA 60 -0.934 5.265 2.739 442 HB2 ALA 60 HB2 ALA 60 -0.677 3.722 3.554 443 HB3 ALA 60 HB3 ALA 60 0.685 4.570 2.822 444 H VAL 61 H VAL 61 -1.688 7.305 4.382 445 HA VAL 61 HA VAL 61 -3.459 6.252 6.532 446 HB VAL 61 HB VAL 61 -2.459 8.426 7.106 447 HG11 VAL 61 HG11 VAL 61 -3.006 10.437 5.865 448 HG12 VAL 61 HG12 VAL 61 -3.912 9.491 4.686 449 HG13 VAL 61 HG13 VAL 61 -2.166 9.288 4.825 450 HG21 VAL 61 HG21 VAL 61 -4.668 7.877 7.966 451 HG22 VAL 61 HG22 VAL 61 -5.416 8.583 6.532 452 HG23 VAL 61 HG23 VAL 61 -4.527 9.608 7.658 453 H GLN 62 H GLN 62 -5.446 5.650 6.024 454 HA GLN 62 HA GLN 62 -6.401 6.046 3.274 455 HB2 GLN 62 HB2 GLN 62 -6.626 3.865 4.421 456 HB3 GLN 62 HB3 GLN 62 -7.658 4.621 5.627 457 HG2 GLN 62 HG2 GLN 62 -9.323 5.105 3.934 458 HG3 GLN 62 HG3 GLN 62 -8.282 4.423 2.687 459 HE21 GLN 62 HE21 GLN 62 -10.325 3.759 5.452 460 HE22 GLN 62 HE22 GLN 62 -10.487 1.995 5.145 461 H ILE 63 H ILE 63 -7.976 7.452 2.618 462 HA ILE 63 HA ILE 63 -8.643 9.665 4.222 463 HB ILE 63 HB ILE 63 -10.180 8.568 1.869 464 HG12 ILE 63 HG12 ILE 63 -7.856 9.096 1.313 465 HG13 ILE 63 HG13 ILE 63 -8.944 10.265 0.572 466 HG21 ILE 63 HG21 ILE 63 -11.588 10.076 3.111 467 HG22 ILE 63 HG22 ILE 63 -11.045 10.880 1.639 468 HG23 ILE 63 HG23 ILE 63 -10.300 11.278 3.188 469 HD11 ILE 63 HD11 ILE 63 -6.983 11.362 1.464 470 HD12 ILE 63 HD12 ILE 63 -7.308 10.692 3.062 471 HD13 ILE 63 HD13 ILE 63 -8.421 11.862 2.355 472 H SER 64 H SER 64 -10.352 6.594 3.794 473 HA SER 64 HA SER 64 -12.641 7.506 5.355 474 HB2 SER 64 HB2 SER 64 -12.902 5.813 3.581 475 HB3 SER 64 HB3 SER 64 -11.864 4.711 4.484 476 HG SER 64 HG SER 64 -14.040 4.254 4.895 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -11.052 -3.599 7.614 2 H2 GLY 1 H2 GLY 1 -11.347 -5.208 7.183 3 H3 GLY 1 H3 GLY 1 -11.955 -4.598 8.639 4 HA2 GLY 1 HA2 GLY 1 -13.704 -4.774 6.976 5 HA3 GLY 1 HA3 GLY 1 -13.429 -3.112 7.475 6 H ALA 2 H ALA 2 -12.277 -5.480 5.034 7 HA ALA 2 HA ALA 2 -12.042 -3.203 3.136 8 HB1 ALA 2 HB1 ALA 2 -10.488 -4.488 1.897 9 HB2 ALA 2 HB2 ALA 2 -10.927 -5.970 2.746 10 HB3 ALA 2 HB3 ALA 2 -10.055 -4.694 3.593 11 H MET 3 H MET 3 -13.009 -3.248 1.104 12 HA MET 3 HA MET 3 -14.025 -5.574 -0.030 13 HB2 MET 3 HB2 MET 3 -15.907 -4.324 1.785 14 HB3 MET 3 HB3 MET 3 -16.565 -4.333 0.154 15 HG2 MET 3 HG2 MET 3 -15.630 -6.707 1.748 16 HG3 MET 3 HG3 MET 3 -17.286 -6.306 1.300 17 HE1 MET 3 HE1 MET 3 -16.106 -9.593 -0.711 18 HE2 MET 3 HE2 MET 3 -17.285 -9.008 0.463 19 HE3 MET 3 HE3 MET 3 -15.575 -9.066 0.886 20 H GLY 4 H GLY 4 -13.910 -5.210 -2.209 21 HA2 GLY 4 HA2 GLY 4 -12.969 -3.225 -3.593 22 HA3 GLY 4 HA3 GLY 4 -14.427 -3.993 -4.180 23 H ALA 5 H ALA 5 -13.249 -1.180 -2.205 24 HA ALA 5 HA ALA 5 -15.667 0.234 -3.239 25 HB1 ALA 5 HB1 ALA 5 -15.692 -0.118 -0.812 26 HB2 ALA 5 HB2 ALA 5 -15.621 1.593 -1.231 27 HB3 ALA 5 HB3 ALA 5 -14.169 0.761 -0.677 28 H LYS 6 H LYS 6 -12.461 -0.000 -3.904 29 HA LYS 6 HA LYS 6 -11.154 1.370 -5.209 30 HB2 LYS 6 HB2 LYS 6 -13.239 3.540 -4.857 31 HB3 LYS 6 HB3 LYS 6 -11.892 3.565 -5.983 32 HG2 LYS 6 HG2 LYS 6 -13.358 1.182 -6.445 33 HG3 LYS 6 HG3 LYS 6 -14.502 2.522 -6.363 34 HD2 LYS 6 HD2 LYS 6 -12.019 2.502 -8.077 35 HD3 LYS 6 HD3 LYS 6 -13.629 2.069 -8.653 36 HE2 LYS 6 HE2 LYS 6 -12.893 4.735 -7.447 37 HE3 LYS 6 HE3 LYS 6 -12.978 4.407 -9.177 38 HZ1 LYS 6 HZ1 LYS 6 -15.330 3.832 -8.887 39 HZ2 LYS 6 HZ2 LYS 6 -15.009 5.427 -8.427 40 HZ3 LYS 6 HZ3 LYS 6 -15.230 4.238 -7.246 41 H GLU 7 H GLU 7 -10.504 0.873 -2.760 42 HA GLU 7 HA GLU 7 -10.247 3.194 -1.047 43 HB2 GLU 7 HB2 GLU 7 -8.911 0.491 -0.889 44 HB3 GLU 7 HB3 GLU 7 -8.919 1.703 0.386 45 HG2 GLU 7 HG2 GLU 7 -11.332 1.520 0.575 46 HG3 GLU 7 HG3 GLU 7 -11.361 0.348 -0.741 47 H TYR 8 H TYR 8 -8.709 4.615 -0.792 48 HA TYR 8 HA TYR 8 -6.114 4.128 -2.173 49 HB2 TYR 8 HB2 TYR 8 -7.538 6.786 -1.886 50 HB3 TYR 8 HB3 TYR 8 -5.983 6.527 -2.667 51 HD1 TYR 8 HD1 TYR 8 -6.184 4.455 -4.486 52 HD2 TYR 8 HD2 TYR 8 -9.271 7.157 -3.359 53 HE1 TYR 8 HE1 TYR 8 -7.315 4.047 -6.629 54 HE2 TYR 8 HE2 TYR 8 -10.412 6.755 -5.500 55 HH TYR 8 HH TYR 8 -9.670 4.204 -7.535 56 H CYS 9 H CYS 9 -4.226 5.219 -1.158 57 HA CYS 9 HA CYS 9 -4.739 6.135 1.604 58 HB2 CYS 9 HB2 CYS 9 -2.825 4.660 2.408 59 HB3 CYS 9 HB3 CYS 9 -4.350 3.858 2.062 60 HG CYS 9 HG CYS 9 -3.515 2.859 -0.419 61 H ARG 10 H ARG 10 -3.218 7.492 2.509 62 HA ARG 10 HA ARG 10 -1.222 8.510 0.568 63 HB2 ARG 10 HB2 ARG 10 -2.813 10.179 1.344 64 HB3 ARG 10 HB3 ARG 10 -2.464 9.776 3.019 65 HG2 ARG 10 HG2 ARG 10 -0.162 10.596 2.713 66 HG3 ARG 10 HG3 ARG 10 -0.569 11.054 1.057 67 HD2 ARG 10 HD2 ARG 10 -0.694 12.969 2.580 68 HD3 ARG 10 HD3 ARG 10 -2.265 12.589 1.877 69 HE ARG 10 HE ARG 10 -1.627 11.485 4.547 70 HH11 ARG 10 HH11 ARG 10 -3.414 13.847 2.597 71 HH12 ARG 10 HH12 ARG 10 -4.540 14.210 3.859 72 HH21 ARG 10 HH21 ARG 10 -3.133 11.999 6.175 73 HH22 ARG 10 HH22 ARG 10 -4.381 13.166 5.888 74 H THR 11 H THR 11 0.944 8.337 0.980 75 HA THR 11 HA THR 11 1.691 6.669 3.241 76 HB THR 11 HB THR 11 4.018 6.956 2.369 77 HG1 THR 11 HG1 THR 11 4.303 8.092 0.462 78 HG21 THR 11 HG21 THR 11 1.865 6.073 0.448 79 HG22 THR 11 HG22 THR 11 2.721 5.076 1.624 80 HG23 THR 11 HG23 THR 11 3.582 5.736 0.234 81 H LEU 12 H LEU 12 2.240 7.272 5.216 82 HA LEU 12 HA LEU 12 2.602 10.096 5.773 83 HB2 LEU 12 HB2 LEU 12 2.722 7.734 7.627 84 HB3 LEU 12 HB3 LEU 12 2.672 9.415 8.124 85 HG LEU 12 HG LEU 12 0.467 7.970 6.649 86 HD11 LEU 12 HD11 LEU 12 -0.752 8.135 8.765 87 HD12 LEU 12 HD12 LEU 12 0.679 8.820 9.535 88 HD13 LEU 12 HD13 LEU 12 0.711 7.164 8.930 89 HD21 LEU 12 HD21 LEU 12 -0.851 9.985 7.179 90 HD22 LEU 12 HD22 LEU 12 0.498 10.324 6.096 91 HD23 LEU 12 HD23 LEU 12 0.608 10.753 7.803 92 H PHE 13 H PHE 13 4.645 7.455 5.007 93 HA PHE 13 HA PHE 13 7.016 9.058 5.503 94 HB2 PHE 13 HB2 PHE 13 6.479 6.580 7.140 95 HB3 PHE 13 HB3 PHE 13 8.114 7.153 6.831 96 HD1 PHE 13 HD1 PHE 13 8.649 9.572 7.507 97 HD2 PHE 13 HD2 PHE 13 5.264 7.418 8.925 98 HE1 PHE 13 HE1 PHE 13 8.466 11.120 9.409 99 HE2 PHE 13 HE2 PHE 13 5.075 8.963 10.831 100 HZ PHE 13 HZ PHE 13 6.677 10.817 11.074 101 HA PRO 14 HA PRO 14 8.305 6.677 2.036 102 HB2 PRO 14 HB2 PRO 14 11.013 6.778 2.217 103 HB3 PRO 14 HB3 PRO 14 10.028 8.186 1.802 104 HG2 PRO 14 HG2 PRO 14 11.249 7.435 4.428 105 HG3 PRO 14 HG3 PRO 14 11.155 9.026 3.651 106 HD2 PRO 14 HD2 PRO 14 9.471 8.221 5.643 107 HD3 PRO 14 HD3 PRO 14 9.017 9.398 4.396 108 H TYR 15 H TYR 15 8.502 4.607 1.516 109 HA TYR 15 HA TYR 15 9.837 2.731 3.441 110 HB2 TYR 15 HB2 TYR 15 7.398 2.491 3.604 111 HB3 TYR 15 HB3 TYR 15 7.278 2.307 1.859 112 HD1 TYR 15 HD1 TYR 15 8.562 0.706 4.945 113 HD2 TYR 15 HD2 TYR 15 7.577 0.194 0.837 114 HE1 TYR 15 HE1 TYR 15 8.801 -1.729 5.196 115 HE2 TYR 15 HE2 TYR 15 7.813 -2.243 1.076 116 HH TYR 15 HH TYR 15 9.042 -3.834 2.608 117 H THR 16 H THR 16 11.372 1.476 2.604 118 HA THR 16 HA THR 16 11.610 1.495 -0.364 119 HB THR 16 HB THR 16 13.774 0.970 1.688 120 HG1 THR 16 HG1 THR 16 13.571 3.110 1.788 121 HG21 THR 16 HG21 THR 16 13.911 1.307 -1.312 122 HG22 THR 16 HG22 THR 16 14.200 -0.183 -0.415 123 HG23 THR 16 HG23 THR 16 15.302 1.181 -0.237 124 H GLY 17 H GLY 17 11.547 -0.375 -1.499 125 HA2 GLY 17 HA2 GLY 17 10.955 -2.826 0.012 126 HA3 GLY 17 HA3 GLY 17 10.864 -2.606 -1.728 127 H THR 18 H THR 18 12.067 -4.752 -0.074 128 HA THR 18 HA THR 18 14.928 -4.435 -0.838 129 HB THR 18 HB THR 18 15.354 -6.396 0.606 130 HG1 THR 18 HG1 THR 18 13.530 -7.546 0.775 131 HG21 THR 18 HG21 THR 18 15.528 -4.128 1.523 132 HG22 THR 18 HG22 THR 18 14.969 -5.272 2.742 133 HG23 THR 18 HG23 THR 18 13.823 -4.178 1.968 134 H ASN 19 H ASN 19 12.059 -5.838 -1.943 135 HA ASN 19 HA ASN 19 13.592 -7.492 -3.873 136 HB2 ASN 19 HB2 ASN 19 12.498 -8.767 -1.774 137 HB3 ASN 19 HB3 ASN 19 11.066 -8.658 -2.788 138 HD21 ASN 19 HD21 ASN 19 12.670 -10.956 -1.894 139 HD22 ASN 19 HD22 ASN 19 13.161 -11.794 -3.408 140 H GLU 20 H GLU 20 12.293 -8.023 -5.816 141 HA GLU 20 HA GLU 20 10.897 -5.784 -6.774 142 HB2 GLU 20 HB2 GLU 20 10.881 -8.671 -7.631 143 HB3 GLU 20 HB3 GLU 20 9.912 -7.468 -8.472 144 HG2 GLU 20 HG2 GLU 20 12.012 -6.159 -8.837 145 HG3 GLU 20 HG3 GLU 20 12.905 -7.531 -8.181 146 H ASP 21 H ASP 21 9.377 -8.936 -5.939 147 HA ASP 21 HA ASP 21 6.781 -8.407 -5.948 148 HB2 ASP 21 HB2 ASP 21 8.184 -9.702 -3.612 149 HB3 ASP 21 HB3 ASP 21 6.469 -9.866 -3.977 150 H GLU 22 H GLU 22 8.842 -7.360 -3.214 151 HA GLU 22 HA GLU 22 6.708 -6.095 -1.770 152 HB2 GLU 22 HB2 GLU 22 9.063 -6.869 -0.982 153 HB3 GLU 22 HB3 GLU 22 9.603 -5.299 -1.559 154 HG2 GLU 22 HG2 GLU 22 9.196 -4.766 0.604 155 HG3 GLU 22 HG3 GLU 22 7.591 -4.465 -0.055 156 H LEU 23 H LEU 23 5.998 -3.992 -1.696 157 HA LEU 23 HA LEU 23 6.621 -2.397 -4.107 158 HB2 LEU 23 HB2 LEU 23 4.455 -2.567 -2.162 159 HB3 LEU 23 HB3 LEU 23 4.937 -0.904 -2.432 160 HG LEU 23 HG LEU 23 4.071 -2.850 -4.576 161 HD11 LEU 23 HD11 LEU 23 2.203 -2.182 -3.212 162 HD12 LEU 23 HD12 LEU 23 2.119 -1.345 -4.762 163 HD13 LEU 23 HD13 LEU 23 2.677 -0.489 -3.326 164 HD21 LEU 23 HD21 LEU 23 5.701 -1.287 -5.446 165 HD22 LEU 23 HD22 LEU 23 4.826 0.067 -4.731 166 HD23 LEU 23 HD23 LEU 23 4.095 -0.863 -6.039 167 H THR 24 H THR 24 7.274 -0.223 -4.147 168 HA THR 24 HA THR 24 8.716 0.635 -1.670 169 HB THR 24 HB THR 24 9.787 0.841 -4.524 170 HG1 THR 24 HG1 THR 24 10.243 -1.188 -3.918 171 HG21 THR 24 HG21 THR 24 10.526 2.758 -3.309 172 HG22 THR 24 HG22 THR 24 11.870 1.618 -3.336 173 HG23 THR 24 HG23 THR 24 10.887 1.792 -1.882 174 H PHE 25 H PHE 25 8.652 2.915 -1.290 175 HA PHE 25 HA PHE 25 7.808 4.796 -3.300 176 HB2 PHE 25 HB2 PHE 25 5.606 5.368 -2.151 177 HB3 PHE 25 HB3 PHE 25 5.623 3.890 -3.104 178 HD1 PHE 25 HD1 PHE 25 5.825 5.195 0.352 179 HD2 PHE 25 HD2 PHE 25 5.111 1.816 -2.135 180 HE1 PHE 25 HE1 PHE 25 5.046 3.924 2.309 181 HE2 PHE 25 HE2 PHE 25 4.328 0.539 -0.182 182 HZ PHE 25 HZ PHE 25 4.296 1.594 2.044 183 H ARG 26 H ARG 26 7.269 6.983 -2.361 184 HA ARG 26 HA ARG 26 8.908 7.358 0.091 185 HB2 ARG 26 HB2 ARG 26 8.275 9.391 -2.061 186 HB3 ARG 26 HB3 ARG 26 9.358 9.624 -0.697 187 HG2 ARG 26 HG2 ARG 26 10.830 9.205 -2.412 188 HG3 ARG 26 HG3 ARG 26 10.642 7.602 -1.698 189 HD2 ARG 26 HD2 ARG 26 9.019 7.009 -3.410 190 HD3 ARG 26 HD3 ARG 26 9.127 8.627 -4.097 191 HE ARG 26 HE ARG 26 11.715 7.387 -3.996 192 HH11 ARG 26 HH11 ARG 26 8.665 7.369 -5.796 193 HH12 ARG 26 HH12 ARG 26 9.393 6.806 -7.261 194 HH21 ARG 26 HH21 ARG 26 12.632 6.644 -5.946 195 HH22 ARG 26 HH22 ARG 26 11.645 6.392 -7.346 196 H GLU 27 H GLU 27 8.180 9.528 1.343 197 HA GLU 27 HA GLU 27 5.420 9.105 2.032 198 HB2 GLU 27 HB2 GLU 27 7.031 9.721 3.723 199 HB3 GLU 27 HB3 GLU 27 7.457 11.187 2.857 200 HG2 GLU 27 HG2 GLU 27 5.065 11.928 3.211 201 HG3 GLU 27 HG3 GLU 27 4.915 10.574 4.326 202 H GLY 28 H GLY 28 3.631 10.447 1.803 203 HA2 GLY 28 HA2 GLY 28 2.472 12.347 1.014 204 HA3 GLY 28 HA3 GLY 28 3.927 12.915 0.213 205 H GLU 29 H GLU 29 3.519 9.659 -0.524 206 HA GLU 29 HA GLU 29 2.301 10.391 -3.147 207 HB2 GLU 29 HB2 GLU 29 4.626 9.135 -2.670 208 HB3 GLU 29 HB3 GLU 29 3.560 7.738 -2.680 209 HG2 GLU 29 HG2 GLU 29 3.770 9.761 -4.898 210 HG3 GLU 29 HG3 GLU 29 4.584 8.198 -4.868 211 H ILE 30 H ILE 30 0.373 9.645 -3.745 212 HA ILE 30 HA ILE 30 -1.131 7.981 -1.845 213 HB ILE 30 HB ILE 30 -1.989 9.150 -4.499 214 HG12 ILE 30 HG12 ILE 30 -1.390 10.890 -2.867 215 HG13 ILE 30 HG13 ILE 30 -3.123 10.871 -3.171 216 HG21 ILE 30 HG21 ILE 30 -3.599 7.901 -2.277 217 HG22 ILE 30 HG22 ILE 30 -3.362 7.258 -3.903 218 HG23 ILE 30 HG23 ILE 30 -4.279 8.745 -3.667 219 HD11 ILE 30 HD11 ILE 30 -3.453 9.632 -1.079 220 HD12 ILE 30 HD12 ILE 30 -2.679 11.195 -0.824 221 HD13 ILE 30 HD13 ILE 30 -1.719 9.718 -0.773 222 H ILE 31 H ILE 31 -1.418 5.891 -1.938 223 HA ILE 31 HA ILE 31 -0.566 4.473 -4.421 224 HB ILE 31 HB ILE 31 -0.759 3.381 -1.607 225 HG12 ILE 31 HG12 ILE 31 1.732 4.115 -3.160 226 HG13 ILE 31 HG13 ILE 31 1.025 5.116 -1.897 227 HG21 ILE 31 HG21 ILE 31 -1.050 1.665 -3.290 228 HG22 ILE 31 HG22 ILE 31 0.523 1.483 -2.515 229 HG23 ILE 31 HG23 ILE 31 0.409 2.198 -4.123 230 HD11 ILE 31 HD11 ILE 31 2.887 3.848 -1.034 231 HD12 ILE 31 HD12 ILE 31 2.136 2.340 -1.557 232 HD13 ILE 31 HD13 ILE 31 1.385 3.304 -0.285 233 H HIS 32 H HIS 32 -1.813 2.849 -5.287 234 HA HIS 32 HA HIS 32 -4.667 3.111 -4.650 235 HB2 HIS 32 HB2 HIS 32 -3.228 1.492 -6.781 236 HB3 HIS 32 HB3 HIS 32 -4.978 1.581 -6.618 237 HD1 HIS 32 HD1 HIS 32 -3.231 2.547 -9.128 238 HD2 HIS 32 HD2 HIS 32 -4.898 4.961 -6.132 239 HE1 HIS 32 HE1 HIS 32 -3.494 4.862 -10.133 240 HE2 HIS 32 HE2 HIS 32 -4.599 6.297 -8.351 241 H LEU 33 H LEU 33 -5.767 1.814 -3.313 242 HA LEU 33 HA LEU 33 -4.318 -0.466 -2.152 243 HB2 LEU 33 HB2 LEU 33 -5.878 1.310 -0.974 244 HB3 LEU 33 HB3 LEU 33 -7.147 0.204 -1.462 245 HG LEU 33 HG LEU 33 -4.783 -0.517 0.276 246 HD11 LEU 33 HD11 LEU 33 -7.682 -0.159 1.019 247 HD12 LEU 33 HD12 LEU 33 -6.397 0.999 1.360 248 HD13 LEU 33 HD13 LEU 33 -6.360 -0.602 2.099 249 HD21 LEU 33 HD21 LEU 33 -5.537 -2.419 -1.018 250 HD22 LEU 33 HD22 LEU 33 -7.208 -2.112 -0.546 251 HD23 LEU 33 HD23 LEU 33 -6.026 -2.608 0.665 252 H ILE 34 H ILE 34 -4.319 -2.339 -3.139 253 HA ILE 34 HA ILE 34 -6.548 -3.003 -4.946 254 HB ILE 34 HB ILE 34 -4.040 -4.608 -4.461 255 HG12 ILE 34 HG12 ILE 34 -3.372 -2.385 -5.183 256 HG13 ILE 34 HG13 ILE 34 -3.148 -3.520 -6.508 257 HG21 ILE 34 HG21 ILE 34 -5.787 -5.868 -5.540 258 HG22 ILE 34 HG22 ILE 34 -4.524 -5.497 -6.716 259 HG23 ILE 34 HG23 ILE 34 -6.032 -4.583 -6.723 260 HD11 ILE 34 HD11 ILE 34 -5.446 -1.600 -6.198 261 HD12 ILE 34 HD12 ILE 34 -5.218 -2.733 -7.531 262 HD13 ILE 34 HD13 ILE 34 -4.072 -1.416 -7.288 263 H SER 35 H SER 35 -4.834 -4.480 -2.146 264 HA SER 35 HA SER 35 -7.404 -5.790 -1.429 265 HB2 SER 35 HB2 SER 35 -6.222 -7.389 -2.916 266 HB3 SER 35 HB3 SER 35 -4.842 -7.384 -1.818 267 HG SER 35 HG SER 35 -5.899 -8.965 -0.909 268 H LYS 36 H LYS 36 -7.717 -5.266 0.640 269 HA LYS 36 HA LYS 36 -5.475 -4.643 2.397 270 HB2 LYS 36 HB2 LYS 36 -8.453 -4.719 2.757 271 HB3 LYS 36 HB3 LYS 36 -7.398 -4.585 4.154 272 HG2 LYS 36 HG2 LYS 36 -6.355 -2.619 2.725 273 HG3 LYS 36 HG3 LYS 36 -7.962 -2.623 2.004 274 HD2 LYS 36 HD2 LYS 36 -7.395 -2.416 4.959 275 HD3 LYS 36 HD3 LYS 36 -7.749 -1.049 3.903 276 HE2 LYS 36 HE2 LYS 36 -9.924 -2.194 3.349 277 HE3 LYS 36 HE3 LYS 36 -9.562 -3.339 4.639 278 HZ1 LYS 36 HZ1 LYS 36 -10.998 -1.539 5.396 279 HZ2 LYS 36 HZ2 LYS 36 -9.822 -0.398 4.980 280 HZ3 LYS 36 HZ3 LYS 36 -9.516 -1.517 6.212 281 H GLU 37 H GLU 37 -7.186 -7.473 1.511 282 HA GLU 37 HA GLU 37 -6.038 -8.958 3.876 283 HB2 GLU 37 HB2 GLU 37 -8.640 -8.869 3.416 284 HB3 GLU 37 HB3 GLU 37 -8.274 -10.005 2.125 285 HG2 GLU 37 HG2 GLU 37 -7.381 -11.586 3.680 286 HG3 GLU 37 HG3 GLU 37 -7.500 -10.425 5.002 287 H THR 38 H THR 38 -4.047 -9.452 3.090 288 HA THR 38 HA THR 38 -3.971 -10.730 0.394 289 HB THR 38 HB THR 38 -1.611 -10.257 0.357 290 HG1 THR 38 HG1 THR 38 -0.496 -10.077 2.146 291 HG21 THR 38 HG21 THR 38 -1.580 -7.817 0.609 292 HG22 THR 38 HG22 THR 38 -3.075 -7.893 1.539 293 HG23 THR 38 HG23 THR 38 -3.071 -8.361 -0.162 294 H GLY 39 H GLY 39 -4.342 -11.714 3.531 295 HA2 GLY 39 HA2 GLY 39 -4.318 -14.098 3.996 296 HA3 GLY 39 HA3 GLY 39 -2.892 -14.263 2.984 297 H GLU 40 H GLU 40 -2.515 -11.458 4.715 298 HA GLU 40 HA GLU 40 -1.341 -12.787 7.096 299 HB2 GLU 40 HB2 GLU 40 0.303 -12.160 5.093 300 HB3 GLU 40 HB3 GLU 40 0.173 -10.559 5.801 301 HG2 GLU 40 HG2 GLU 40 1.162 -11.229 7.800 302 HG3 GLU 40 HG3 GLU 40 0.878 -12.939 7.472 303 H ALA 41 H ALA 41 -1.703 -11.679 8.964 304 HA ALA 41 HA ALA 41 -3.549 -9.459 8.804 305 HB1 ALA 41 HB1 ALA 41 -2.056 -10.516 11.218 306 HB2 ALA 41 HB2 ALA 41 -3.620 -11.095 10.644 307 HB3 ALA 41 HB3 ALA 41 -3.456 -9.445 11.247 308 H GLY 42 H GLY 42 -3.253 -7.297 9.045 309 HA2 GLY 42 HA2 GLY 42 -2.080 -5.318 9.473 310 HA3 GLY 42 HA3 GLY 42 -0.683 -6.253 9.975 311 H TRP 43 H TRP 43 -1.466 -7.568 7.049 312 HA TRP 43 HA TRP 43 0.405 -5.704 5.684 313 HB2 TRP 43 HB2 TRP 43 -0.124 -8.650 5.337 314 HB3 TRP 43 HB3 TRP 43 0.706 -7.709 4.101 315 HD1 TRP 43 HD1 TRP 43 1.121 -8.555 7.866 316 HE1 TRP 43 HE1 TRP 43 3.654 -8.617 8.429 317 HE3 TRP 43 HE3 TRP 43 2.934 -7.148 3.301 318 HZ2 TRP 43 HZ2 TRP 43 6.075 -8.121 7.045 319 HZ3 TRP 43 HZ3 TRP 43 5.368 -6.966 3.000 320 HH2 TRP 43 HH2 TRP 43 6.907 -7.442 4.832 321 H TRP 44 H TRP 44 -0.084 -4.726 3.824 322 HA TRP 44 HA TRP 44 -2.774 -5.325 2.657 323 HB2 TRP 44 HB2 TRP 44 -1.433 -2.670 3.205 324 HB3 TRP 44 HB3 TRP 44 -2.680 -2.823 1.973 325 HD1 TRP 44 HD1 TRP 44 -3.717 -5.066 4.636 326 HE1 TRP 44 HE1 TRP 44 -5.443 -3.964 6.224 327 HE3 TRP 44 HE3 TRP 44 -3.067 -0.203 3.195 328 HZ2 TRP 44 HZ2 TRP 44 -6.366 -1.351 6.755 329 HZ3 TRP 44 HZ3 TRP 44 -4.418 1.538 4.294 330 HH2 TRP 44 HH2 TRP 44 -6.032 0.972 6.035 331 H LYS 45 H LYS 45 -3.038 -4.862 0.411 332 HA LYS 45 HA LYS 45 -0.431 -4.981 -1.038 333 HB2 LYS 45 HB2 LYS 45 -1.681 -7.151 -1.091 334 HB3 LYS 45 HB3 LYS 45 -3.011 -6.325 -1.894 335 HG2 LYS 45 HG2 LYS 45 -1.666 -5.872 -3.814 336 HG3 LYS 45 HG3 LYS 45 -0.213 -6.444 -2.995 337 HD2 LYS 45 HD2 LYS 45 -0.882 -8.192 -4.441 338 HD3 LYS 45 HD3 LYS 45 -1.347 -8.696 -2.817 339 HE2 LYS 45 HE2 LYS 45 -3.159 -9.217 -4.266 340 HE3 LYS 45 HE3 LYS 45 -3.645 -7.823 -3.303 341 HZ1 LYS 45 HZ1 LYS 45 -3.080 -6.392 -5.180 342 HZ2 LYS 45 HZ2 LYS 45 -4.253 -7.532 -5.612 343 HZ3 LYS 45 HZ3 LYS 45 -2.648 -7.744 -6.102 344 H GLY 46 H GLY 46 -0.088 -3.492 -2.540 345 HA2 GLY 46 HA2 GLY 46 -2.450 -2.093 -3.677 346 HA3 GLY 46 HA3 GLY 46 -1.205 -1.140 -2.883 347 H GLU 47 H GLU 47 -1.628 -0.368 -5.317 348 HA GLU 47 HA GLU 47 0.586 -1.639 -6.862 349 HB2 GLU 47 HB2 GLU 47 -2.163 -0.904 -7.704 350 HB3 GLU 47 HB3 GLU 47 -0.869 -0.551 -8.841 351 HG2 GLU 47 HG2 GLU 47 -0.137 -2.897 -8.695 352 HG3 GLU 47 HG3 GLU 47 -1.503 -3.233 -7.632 353 H LEU 48 H LEU 48 2.115 -0.400 -7.626 354 HA LEU 48 HA LEU 48 1.721 2.523 -7.997 355 HB2 LEU 48 HB2 LEU 48 2.335 2.362 -5.606 356 HB3 LEU 48 HB3 LEU 48 3.743 1.394 -5.997 357 HG LEU 48 HG LEU 48 4.764 3.266 -7.161 358 HD11 LEU 48 HD11 LEU 48 2.800 4.331 -8.074 359 HD12 LEU 48 HD12 LEU 48 3.703 5.494 -7.104 360 HD13 LEU 48 HD13 LEU 48 2.239 4.754 -6.457 361 HD21 LEU 48 HD21 LEU 48 5.144 4.736 -5.266 362 HD22 LEU 48 HD22 LEU 48 5.113 3.050 -4.748 363 HD23 LEU 48 HD23 LEU 48 3.716 4.087 -4.456 364 H ASN 49 H ASN 49 2.576 2.938 -9.846 365 HA ASN 49 HA ASN 49 3.963 2.905 -11.670 366 HB2 ASN 49 HB2 ASN 49 5.971 1.643 -9.776 367 HB3 ASN 49 HB3 ASN 49 6.339 2.297 -11.367 368 HD21 ASN 49 HD21 ASN 49 4.696 4.605 -11.282 369 HD22 ASN 49 HD22 ASN 49 5.411 5.718 -10.066 370 H GLY 50 H GLY 50 2.051 0.840 -11.361 371 HA2 GLY 50 HA2 GLY 50 1.509 -1.054 -12.518 372 HA3 GLY 50 HA3 GLY 50 3.067 -0.990 -13.312 373 H LYS 51 H LYS 51 3.476 -1.150 -9.858 374 HA LYS 51 HA LYS 51 3.870 -4.097 -10.154 375 HB2 LYS 51 HB2 LYS 51 5.479 -1.922 -8.964 376 HB3 LYS 51 HB3 LYS 51 5.350 -3.373 -7.979 377 HG2 LYS 51 HG2 LYS 51 7.328 -3.465 -9.360 378 HG3 LYS 51 HG3 LYS 51 6.182 -4.713 -9.850 379 HD2 LYS 51 HD2 LYS 51 5.432 -3.278 -11.699 380 HD3 LYS 51 HD3 LYS 51 6.606 -2.053 -11.215 381 HE2 LYS 51 HE2 LYS 51 7.477 -3.354 -13.065 382 HE3 LYS 51 HE3 LYS 51 8.422 -3.663 -11.611 383 HZ1 LYS 51 HZ1 LYS 51 6.262 -5.424 -12.640 384 HZ2 LYS 51 HZ2 LYS 51 7.247 -5.733 -11.300 385 HZ3 LYS 51 HZ3 LYS 51 7.919 -5.695 -12.852 386 H GLU 52 H GLU 52 2.980 -5.468 -8.720 387 HA GLU 52 HA GLU 52 1.259 -4.258 -6.601 388 HB2 GLU 52 HB2 GLU 52 0.011 -6.375 -6.648 389 HB3 GLU 52 HB3 GLU 52 0.029 -5.587 -8.219 390 HG2 GLU 52 HG2 GLU 52 1.267 -7.223 -9.185 391 HG3 GLU 52 HG3 GLU 52 2.128 -7.609 -7.697 392 H GLY 53 H GLY 53 1.448 -4.951 -4.431 393 HA2 GLY 53 HA2 GLY 53 2.984 -7.285 -3.727 394 HA3 GLY 53 HA3 GLY 53 3.963 -5.841 -3.557 395 H VAL 54 H VAL 54 3.648 -7.338 -1.396 396 HA VAL 54 HA VAL 54 1.365 -6.249 0.155 397 HB VAL 54 HB VAL 54 2.024 -7.844 1.902 398 HG11 VAL 54 HG11 VAL 54 0.474 -8.564 0.184 399 HG12 VAL 54 HG12 VAL 54 1.506 -9.906 0.678 400 HG13 VAL 54 HG13 VAL 54 1.815 -9.069 -0.843 401 HG21 VAL 54 HG21 VAL 54 4.454 -7.820 1.481 402 HG22 VAL 54 HG22 VAL 54 4.192 -8.723 -0.011 403 HG23 VAL 54 HG23 VAL 54 3.803 -9.458 1.546 404 H PHE 55 H PHE 55 1.784 -5.498 2.408 405 HA PHE 55 HA PHE 55 4.303 -4.664 3.322 406 HB2 PHE 55 HB2 PHE 55 4.420 -2.300 2.724 407 HB3 PHE 55 HB3 PHE 55 4.419 -3.298 1.274 408 HD1 PHE 55 HD2 PHE 55 2.462 -0.936 3.302 409 HD2 PHE 55 HD1 PHE 55 2.583 -3.227 -0.288 410 HE1 PHE 55 HE2 PHE 55 0.552 0.337 2.429 411 HE2 PHE 55 HE1 PHE 55 0.673 -1.949 -1.165 412 HZ PHE 55 HZ PHE 55 -0.344 -0.166 0.194 413 HA PRO 56 HA PRO 56 1.871 -3.515 6.819 414 HB2 PRO 56 HB2 PRO 56 3.716 -2.117 8.027 415 HB3 PRO 56 HB3 PRO 56 3.412 -3.820 8.392 416 HG2 PRO 56 HG2 PRO 56 5.450 -2.596 6.615 417 HG3 PRO 56 HG3 PRO 56 5.503 -4.114 7.532 418 HD2 PRO 56 HD2 PRO 56 5.175 -4.062 4.852 419 HD3 PRO 56 HD3 PRO 56 4.425 -5.298 5.875 420 H ASP 57 H ASP 57 0.136 -2.446 6.511 421 HA ASP 57 HA ASP 57 0.223 -0.060 5.081 422 HB2 ASP 57 HB2 ASP 57 -2.049 0.262 5.749 423 HB3 ASP 57 HB3 ASP 57 -1.737 -1.427 5.385 424 H ASN 58 H ASN 58 2.012 -0.081 7.821 425 HA ASN 58 HA ASN 58 0.686 2.032 9.310 426 HB2 ASN 58 HB2 ASN 58 3.415 0.764 9.623 427 HB3 ASN 58 HB3 ASN 58 2.684 1.896 10.755 428 HD21 ASN 58 HD21 ASN 58 3.606 -0.857 11.159 429 HD22 ASN 58 HD22 ASN 58 2.165 -1.755 11.752 430 H PHE 59 H PHE 59 2.660 1.944 6.525 431 HA PHE 59 HA PHE 59 3.851 4.597 7.167 432 HB2 PHE 59 HB2 PHE 59 4.377 2.618 4.932 433 HB3 PHE 59 HB3 PHE 59 5.061 4.239 4.965 434 HD1 PHE 59 HD1 PHE 59 5.041 0.957 6.611 435 HD2 PHE 59 HD2 PHE 59 6.870 4.794 6.410 436 HE1 PHE 59 HE1 PHE 59 6.895 0.142 8.007 437 HE2 PHE 59 HE2 PHE 59 8.728 3.987 7.804 438 HZ PHE 59 HZ PHE 59 8.742 1.658 8.606 439 H ALA 60 H ALA 60 0.924 3.644 6.194 440 HA ALA 60 HA ALA 60 0.547 6.063 4.566 441 HB1 ALA 60 HB1 ALA 60 -0.189 3.315 3.574 442 HB2 ALA 60 HB2 ALA 60 1.021 4.396 2.883 443 HB3 ALA 60 HB3 ALA 60 -0.686 4.834 2.829 444 H VAL 61 H VAL 61 -1.307 7.086 5.156 445 HA VAL 61 HA VAL 61 -3.238 5.511 6.795 446 HB VAL 61 HB VAL 61 -2.319 7.623 7.762 447 HG11 VAL 61 HG11 VAL 61 -2.093 8.918 5.702 448 HG12 VAL 61 HG12 VAL 61 -3.044 9.785 6.907 449 HG13 VAL 61 HG13 VAL 61 -3.848 8.993 5.552 450 HG21 VAL 61 HG21 VAL 61 -4.455 8.514 8.528 451 HG22 VAL 61 HG22 VAL 61 -4.489 6.752 8.472 452 HG23 VAL 61 HG23 VAL 61 -5.283 7.690 7.207 453 H GLN 62 H GLN 62 -5.396 5.329 6.225 454 HA GLN 62 HA GLN 62 -5.987 5.740 3.408 455 HB2 GLN 62 HB2 GLN 62 -6.825 3.795 4.726 456 HB3 GLN 62 HB3 GLN 62 -7.841 4.895 5.645 457 HG2 GLN 62 HG2 GLN 62 -9.384 5.009 4.037 458 HG3 GLN 62 HG3 GLN 62 -8.181 5.127 2.754 459 HE21 GLN 62 HE21 GLN 62 -10.683 3.595 2.891 460 HE22 GLN 62 HE22 GLN 62 -10.199 1.883 2.631 461 H ILE 63 H ILE 63 -7.050 7.396 2.437 462 HA ILE 63 HA ILE 63 -7.430 9.820 3.844 463 HB ILE 63 HB ILE 63 -8.704 9.009 1.240 464 HG12 ILE 63 HG12 ILE 63 -6.283 8.797 1.112 465 HG13 ILE 63 HG13 ILE 63 -6.796 10.210 0.198 466 HG21 ILE 63 HG21 ILE 63 -9.803 10.948 2.156 467 HG22 ILE 63 HG22 ILE 63 -8.789 11.445 0.801 468 HG23 ILE 63 HG23 ILE 63 -8.252 11.731 2.456 469 HD11 ILE 63 HD11 ILE 63 -6.138 11.642 2.076 470 HD12 ILE 63 HD12 ILE 63 -4.790 10.691 1.450 471 HD13 ILE 63 HD13 ILE 63 -5.583 10.215 2.952 472 H SER 64 H SER 64 -9.715 7.238 3.070 473 HA SER 64 HA SER 64 -11.416 7.841 5.243 474 HB2 SER 64 HB2 SER 64 -11.996 9.894 4.021 475 HB3 SER 64 HB3 SER 64 -12.447 8.939 2.609 476 HG SER 64 HG SER 64 -14.164 9.649 4.164 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -10.297 -4.225 -2.060 2 H2 GLY 1 H2 GLY 1 -9.963 -4.645 -0.456 3 H3 GLY 1 H3 GLY 1 -10.578 -3.111 -0.817 4 HA2 GLY 1 HA2 GLY 1 -12.660 -4.069 -1.559 5 HA3 GLY 1 HA3 GLY 1 -12.020 -5.672 -1.241 6 H ALA 2 H ALA 2 -13.092 -6.508 0.416 7 HA ALA 2 HA ALA 2 -13.851 -6.784 2.553 8 HB1 ALA 2 HB1 ALA 2 -12.880 -5.503 4.385 9 HB2 ALA 2 HB2 ALA 2 -12.170 -4.375 3.229 10 HB3 ALA 2 HB3 ALA 2 -11.642 -6.056 3.258 11 H MET 3 H MET 3 -13.734 -3.202 3.076 12 HA MET 3 HA MET 3 -16.713 -3.353 2.971 13 HB2 MET 3 HB2 MET 3 -15.444 -2.948 5.187 14 HB3 MET 3 HB3 MET 3 -15.181 -1.324 4.565 15 HG2 MET 3 HG2 MET 3 -17.113 -1.415 6.037 16 HG3 MET 3 HG3 MET 3 -17.579 -0.979 4.393 17 HE1 MET 3 HE1 MET 3 -20.717 -2.990 5.449 18 HE2 MET 3 HE2 MET 3 -20.092 -1.495 4.753 19 HE3 MET 3 HE3 MET 3 -19.787 -1.873 6.448 20 H GLY 4 H GLY 4 -15.030 -2.702 0.605 21 HA2 GLY 4 HA2 GLY 4 -16.521 -0.456 -0.289 22 HA3 GLY 4 HA3 GLY 4 -14.964 0.135 0.253 23 H ALA 5 H ALA 5 -15.747 0.576 -2.294 24 HA ALA 5 HA ALA 5 -14.450 -1.537 -3.944 25 HB1 ALA 5 HB1 ALA 5 -16.740 -0.931 -4.544 26 HB2 ALA 5 HB2 ALA 5 -15.604 -0.537 -5.834 27 HB3 ALA 5 HB3 ALA 5 -16.232 0.739 -4.791 28 H LYS 6 H LYS 6 -14.144 1.823 -2.934 29 HA LYS 6 HA LYS 6 -11.727 1.987 -4.658 30 HB2 LYS 6 HB2 LYS 6 -13.657 4.229 -3.994 31 HB3 LYS 6 HB3 LYS 6 -12.137 4.434 -4.849 32 HG2 LYS 6 HG2 LYS 6 -12.959 3.027 -6.666 33 HG3 LYS 6 HG3 LYS 6 -14.484 2.803 -5.805 34 HD2 LYS 6 HD2 LYS 6 -14.896 5.216 -5.914 35 HD3 LYS 6 HD3 LYS 6 -13.371 5.438 -6.773 36 HE2 LYS 6 HE2 LYS 6 -15.166 5.444 -8.369 37 HE3 LYS 6 HE3 LYS 6 -14.230 3.965 -8.575 38 HZ1 LYS 6 HZ1 LYS 6 -15.908 2.753 -7.353 39 HZ2 LYS 6 HZ2 LYS 6 -16.625 3.563 -8.652 40 HZ3 LYS 6 HZ3 LYS 6 -16.791 4.170 -7.083 41 H GLU 7 H GLU 7 -10.024 1.733 -3.104 42 HA GLU 7 HA GLU 7 -10.365 3.539 -0.797 43 HB2 GLU 7 HB2 GLU 7 -9.546 0.643 -0.687 44 HB3 GLU 7 HB3 GLU 7 -9.243 1.753 0.637 45 HG2 GLU 7 HG2 GLU 7 -11.705 2.231 0.675 46 HG3 GLU 7 HG3 GLU 7 -11.901 0.904 -0.469 47 H TYR 8 H TYR 8 -8.644 4.827 -0.398 48 HA TYR 8 HA TYR 8 -6.034 3.948 -1.535 49 HB2 TYR 8 HB2 TYR 8 -7.202 6.733 -1.681 50 HB3 TYR 8 HB3 TYR 8 -5.577 6.290 -2.192 51 HD1 TYR 8 HD1 TYR 8 -9.161 5.949 -2.948 52 HD2 TYR 8 HD2 TYR 8 -5.200 5.131 -4.265 53 HE1 TYR 8 HE1 TYR 8 -10.029 5.359 -5.171 54 HE2 TYR 8 HE2 TYR 8 -6.057 4.541 -6.493 55 HH TYR 8 HH TYR 8 -9.152 5.280 -7.533 56 H CYS 9 H CYS 9 -4.121 4.929 -0.605 57 HA CYS 9 HA CYS 9 -4.575 6.079 2.094 58 HB2 CYS 9 HB2 CYS 9 -2.762 4.660 3.002 59 HB3 CYS 9 HB3 CYS 9 -4.146 3.719 2.459 60 HG CYS 9 HG CYS 9 -1.379 4.140 0.501 61 H ARG 10 H ARG 10 -3.029 7.558 2.826 62 HA ARG 10 HA ARG 10 -1.168 8.445 0.684 63 HB2 ARG 10 HB2 ARG 10 -2.761 10.126 1.541 64 HB3 ARG 10 HB3 ARG 10 -2.102 9.916 3.159 65 HG2 ARG 10 HG2 ARG 10 -0.099 10.951 2.618 66 HG3 ARG 10 HG3 ARG 10 -0.323 10.701 0.887 67 HD2 ARG 10 HD2 ARG 10 -0.652 13.029 1.425 68 HD3 ARG 10 HD3 ARG 10 -2.180 12.317 0.919 69 HE ARG 10 HE ARG 10 -2.647 12.106 3.434 70 HH11 ARG 10 HH11 ARG 10 -0.659 14.694 2.036 71 HH12 ARG 10 HH12 ARG 10 -1.028 15.815 3.301 72 HH21 ARG 10 HH21 ARG 10 -3.104 13.624 5.064 73 HH22 ARG 10 HH22 ARG 10 -2.413 15.211 5.014 74 H THR 11 H THR 11 0.983 8.330 0.897 75 HA THR 11 HA THR 11 2.011 6.789 3.122 76 HB THR 11 HB THR 11 4.228 7.129 2.042 77 HG1 THR 11 HG1 THR 11 4.399 8.362 0.229 78 HG21 THR 11 HG21 THR 11 3.678 5.900 -0.046 79 HG22 THR 11 HG22 THR 11 1.970 6.223 0.254 80 HG23 THR 11 HG23 THR 11 2.891 5.230 1.384 81 H LEU 12 H LEU 12 2.423 7.539 5.049 82 HA LEU 12 HA LEU 12 2.838 10.389 5.486 83 HB2 LEU 12 HB2 LEU 12 3.056 8.103 7.437 84 HB3 LEU 12 HB3 LEU 12 3.006 9.804 7.860 85 HG LEU 12 HG LEU 12 0.764 8.237 6.576 86 HD11 LEU 12 HD11 LEU 12 -0.377 8.543 8.706 87 HD12 LEU 12 HD12 LEU 12 1.043 9.358 9.361 88 HD13 LEU 12 HD13 LEU 12 1.130 7.653 8.918 89 HD21 LEU 12 HD21 LEU 12 0.752 10.552 5.829 90 HD22 LEU 12 HD22 LEU 12 0.868 11.109 7.499 91 HD23 LEU 12 HD23 LEU 12 -0.576 10.258 6.951 92 H PHE 13 H PHE 13 4.842 7.698 4.769 93 HA PHE 13 HA PHE 13 7.235 9.331 5.037 94 HB2 PHE 13 HB2 PHE 13 6.719 7.010 6.874 95 HB3 PHE 13 HB3 PHE 13 8.362 7.367 6.354 96 HD1 PHE 13 HD1 PHE 13 9.204 9.767 6.729 97 HD2 PHE 13 HD2 PHE 13 5.810 8.125 8.708 98 HE1 PHE 13 HE1 PHE 13 9.395 11.490 8.476 99 HE2 PHE 13 HE2 PHE 13 5.997 9.845 10.457 100 HZ PHE 13 HZ PHE 13 7.789 11.530 10.342 101 HA PRO 14 HA PRO 14 8.326 6.736 1.649 102 HB2 PRO 14 HB2 PRO 14 11.021 6.857 1.621 103 HB3 PRO 14 HB3 PRO 14 10.013 8.268 1.274 104 HG2 PRO 14 HG2 PRO 14 11.438 7.534 3.800 105 HG3 PRO 14 HG3 PRO 14 11.290 9.118 3.016 106 HD2 PRO 14 HD2 PRO 14 9.754 8.302 5.143 107 HD3 PRO 14 HD3 PRO 14 9.247 9.523 3.961 108 H TYR 15 H TYR 15 9.103 4.737 0.966 109 HA TYR 15 HA TYR 15 10.389 2.953 2.951 110 HB2 TYR 15 HB2 TYR 15 7.946 2.668 3.297 111 HB3 TYR 15 HB3 TYR 15 7.767 2.257 1.595 112 HD1 TYR 15 HD1 TYR 15 9.290 1.141 4.786 113 HD2 TYR 15 HD2 TYR 15 8.174 0.053 0.826 114 HE1 TYR 15 HE1 TYR 15 9.729 -1.221 5.316 115 HE2 TYR 15 HE2 TYR 15 8.608 -2.310 1.346 116 HH TYR 15 HH TYR 15 8.985 -3.477 4.462 117 H THR 16 H THR 16 11.870 1.678 2.054 118 HA THR 16 HA THR 16 11.823 1.488 -0.920 119 HB THR 16 HB THR 16 14.209 1.212 0.925 120 HG1 THR 16 HG1 THR 16 13.387 3.368 -0.758 121 HG21 THR 16 HG21 THR 16 14.016 1.346 -2.089 122 HG22 THR 16 HG22 THR 16 14.498 -0.055 -1.130 123 HG23 THR 16 HG23 THR 16 15.518 1.384 -1.165 124 H GLY 17 H GLY 17 11.494 -0.484 -1.835 125 HA2 GLY 17 HA2 GLY 17 11.272 -2.789 -0.063 126 HA3 GLY 17 HA3 GLY 17 10.950 -2.743 -1.790 127 H THR 18 H THR 18 12.332 -4.800 -0.323 128 HA THR 18 HA THR 18 15.111 -4.408 -1.340 129 HB THR 18 HB THR 18 15.762 -6.249 0.173 130 HG1 THR 18 HG1 THR 18 14.074 -7.490 0.640 131 HG21 THR 18 HG21 THR 18 15.511 -5.015 2.270 132 HG22 THR 18 HG22 THR 18 14.239 -4.029 1.545 133 HG23 THR 18 HG23 THR 18 15.892 -3.924 0.938 134 H ASN 19 H ASN 19 12.211 -5.932 -2.197 135 HA ASN 19 HA ASN 19 13.670 -7.773 -3.997 136 HB2 ASN 19 HB2 ASN 19 11.594 -8.590 -1.964 137 HB3 ASN 19 HB3 ASN 19 11.857 -9.525 -3.432 138 HD21 ASN 19 HD21 ASN 19 12.318 -9.928 -0.431 139 HD22 ASN 19 HD22 ASN 19 14.006 -10.547 -0.368 140 H GLU 20 H GLU 20 12.086 -8.789 -5.607 141 HA GLU 20 HA GLU 20 10.587 -6.620 -6.733 142 HB2 GLU 20 HB2 GLU 20 9.956 -8.167 -8.525 143 HB3 GLU 20 HB3 GLU 20 11.662 -8.344 -8.140 144 HG2 GLU 20 HG2 GLU 20 11.227 -10.363 -6.908 145 HG3 GLU 20 HG3 GLU 20 9.488 -10.158 -7.115 146 H ASP 21 H ASP 21 9.734 -8.579 -4.182 147 HA ASP 21 HA ASP 21 6.847 -8.611 -4.879 148 HB2 ASP 21 HB2 ASP 21 7.716 -10.643 -3.858 149 HB3 ASP 21 HB3 ASP 21 8.364 -9.730 -2.500 150 H GLU 22 H GLU 22 9.179 -7.062 -2.687 151 HA GLU 22 HA GLU 22 7.080 -5.620 -1.255 152 HB2 GLU 22 HB2 GLU 22 10.014 -5.883 -1.102 153 HB3 GLU 22 HB3 GLU 22 9.412 -4.280 -0.704 154 HG2 GLU 22 HG2 GLU 22 9.603 -5.539 1.306 155 HG3 GLU 22 HG3 GLU 22 7.891 -5.317 0.950 156 H LEU 23 H LEU 23 6.431 -3.507 -1.516 157 HA LEU 23 HA LEU 23 7.104 -2.352 -4.155 158 HB2 LEU 23 HB2 LEU 23 4.952 -2.015 -2.147 159 HB3 LEU 23 HB3 LEU 23 5.414 -0.552 -2.994 160 HG LEU 23 HG LEU 23 4.598 -3.097 -4.405 161 HD11 LEU 23 HD11 LEU 23 2.446 -2.040 -4.791 162 HD12 LEU 23 HD12 LEU 23 2.926 -0.665 -3.797 163 HD13 LEU 23 HD13 LEU 23 2.735 -2.259 -3.065 164 HD21 LEU 23 HD21 LEU 23 4.927 -0.254 -5.355 165 HD22 LEU 23 HD22 LEU 23 4.319 -1.595 -6.325 166 HD23 LEU 23 HD23 LEU 23 5.981 -1.615 -5.738 167 H THR 24 H THR 24 7.672 -0.069 -4.421 168 HA THR 24 HA THR 24 9.229 0.929 -2.071 169 HB THR 24 HB THR 24 10.144 0.953 -4.975 170 HG1 THR 24 HG1 THR 24 10.662 -1.023 -4.253 171 HG21 THR 24 HG21 THR 24 10.904 2.965 -3.914 172 HG22 THR 24 HG22 THR 24 12.268 1.850 -4.003 173 HG23 THR 24 HG23 THR 24 11.412 2.078 -2.479 174 H PHE 25 H PHE 25 9.035 3.137 -1.687 175 HA PHE 25 HA PHE 25 8.095 4.923 -3.768 176 HB2 PHE 25 HB2 PHE 25 5.984 5.549 -2.620 177 HB3 PHE 25 HB3 PHE 25 5.970 3.909 -3.257 178 HD1 PHE 25 HD1 PHE 25 6.223 5.931 -0.189 179 HD2 PHE 25 HD2 PHE 25 5.736 2.032 -1.823 180 HE1 PHE 25 HE1 PHE 25 5.607 5.081 2.033 181 HE2 PHE 25 HE2 PHE 25 5.116 1.174 0.399 182 HZ PHE 25 HZ PHE 25 5.052 2.701 2.330 183 H ARG 26 H ARG 26 7.649 7.157 -2.891 184 HA ARG 26 HA ARG 26 9.405 7.649 -0.531 185 HB2 ARG 26 HB2 ARG 26 8.749 9.351 -2.935 186 HB3 ARG 26 HB3 ARG 26 9.518 10.012 -1.497 187 HG2 ARG 26 HG2 ARG 26 11.430 8.618 -1.790 188 HG3 ARG 26 HG3 ARG 26 10.641 7.718 -3.086 189 HD2 ARG 26 HD2 ARG 26 12.234 9.303 -3.996 190 HD3 ARG 26 HD3 ARG 26 10.593 9.747 -4.457 191 HE ARG 26 HE ARG 26 11.318 11.127 -2.068 192 HH11 ARG 26 HH11 ARG 26 12.015 11.073 -5.539 193 HH12 ARG 26 HH12 ARG 26 12.432 12.753 -5.605 194 HH21 ARG 26 HH21 ARG 26 11.877 13.335 -2.199 195 HH22 ARG 26 HH22 ARG 26 12.354 14.037 -3.710 196 H GLU 27 H GLU 27 8.742 9.804 0.689 197 HA GLU 27 HA GLU 27 6.050 9.347 1.580 198 HB2 GLU 27 HB2 GLU 27 7.793 10.214 3.078 199 HB3 GLU 27 HB3 GLU 27 7.940 11.673 2.111 200 HG2 GLU 27 HG2 GLU 27 5.483 12.072 2.665 201 HG3 GLU 27 HG3 GLU 27 5.689 10.822 3.891 202 H GLY 28 H GLY 28 4.178 10.590 1.382 203 HA2 GLY 28 HA2 GLY 28 2.744 12.110 0.336 204 HA3 GLY 28 HA3 GLY 28 4.135 12.919 -0.373 205 H GLU 29 H GLU 29 2.077 10.016 -0.626 206 HA GLU 29 HA GLU 29 1.853 10.229 -3.496 207 HB2 GLU 29 HB2 GLU 29 4.240 9.050 -2.739 208 HB3 GLU 29 HB3 GLU 29 3.175 7.662 -2.920 209 HG2 GLU 29 HG2 GLU 29 3.747 9.757 -5.001 210 HG3 GLU 29 HG3 GLU 29 4.358 8.103 -4.979 211 H ILE 30 H ILE 30 -0.033 9.260 -4.059 212 HA ILE 30 HA ILE 30 -1.322 7.689 -1.935 213 HB ILE 30 HB ILE 30 -2.480 8.717 -4.525 214 HG12 ILE 30 HG12 ILE 30 -1.819 10.546 -3.047 215 HG13 ILE 30 HG13 ILE 30 -3.573 10.420 -3.115 216 HG21 ILE 30 HG21 ILE 30 -3.828 7.490 -2.121 217 HG22 ILE 30 HG22 ILE 30 -3.723 6.801 -3.742 218 HG23 ILE 30 HG23 ILE 30 -4.666 8.266 -3.467 219 HD11 ILE 30 HD11 ILE 30 -3.553 9.248 -0.960 220 HD12 ILE 30 HD12 ILE 30 -2.843 10.859 -0.859 221 HD13 ILE 30 HD13 ILE 30 -1.801 9.436 -0.891 222 H ILE 31 H ILE 31 -1.593 5.574 -1.941 223 HA ILE 31 HA ILE 31 -0.930 4.092 -4.447 224 HB ILE 31 HB ILE 31 -0.873 3.057 -1.610 225 HG12 ILE 31 HG12 ILE 31 1.464 3.848 -3.364 226 HG13 ILE 31 HG13 ILE 31 0.839 4.827 -2.040 227 HG21 ILE 31 HG21 ILE 31 -1.249 1.318 -3.251 228 HG22 ILE 31 HG22 ILE 31 0.387 1.187 -2.606 229 HG23 ILE 31 HG23 ILE 31 0.122 1.883 -4.205 230 HD11 ILE 31 HD11 ILE 31 1.378 3.015 -0.476 231 HD12 ILE 31 HD12 ILE 31 2.797 3.611 -1.338 232 HD13 ILE 31 HD13 ILE 31 2.053 2.085 -1.813 233 H HIS 32 H HIS 32 -2.163 2.403 -5.135 234 HA HIS 32 HA HIS 32 -4.993 2.664 -4.412 235 HB2 HIS 32 HB2 HIS 32 -3.838 0.646 -6.352 236 HB3 HIS 32 HB3 HIS 32 -5.466 1.310 -6.320 237 HD1 HIS 32 HD1 HIS 32 -3.866 1.374 -8.921 238 HD2 HIS 32 HD2 HIS 32 -3.864 4.477 -6.100 239 HE1 HIS 32 HE1 HIS 32 -3.188 3.476 -10.166 240 HE2 HIS 32 HE2 HIS 32 -3.258 5.371 -8.473 241 H LEU 33 H LEU 33 -6.091 1.402 -3.004 242 HA LEU 33 HA LEU 33 -4.587 -0.823 -1.773 243 HB2 LEU 33 HB2 LEU 33 -5.800 0.920 -0.413 244 HB3 LEU 33 HB3 LEU 33 -7.307 0.259 -1.021 245 HG LEU 33 HG LEU 33 -5.311 -1.395 0.521 246 HD11 LEU 33 HD11 LEU 33 -7.692 0.129 1.561 247 HD12 LEU 33 HD12 LEU 33 -5.998 0.430 1.946 248 HD13 LEU 33 HD13 LEU 33 -6.768 -1.065 2.471 249 HD21 LEU 33 HD21 LEU 33 -6.821 -2.755 -0.724 250 HD22 LEU 33 HD22 LEU 33 -8.203 -1.778 -0.234 251 HD23 LEU 33 HD23 LEU 33 -7.360 -2.773 0.954 252 H ILE 34 H ILE 34 -4.721 -2.764 -2.629 253 HA ILE 34 HA ILE 34 -7.042 -3.413 -4.297 254 HB ILE 34 HB ILE 34 -4.596 -5.100 -3.739 255 HG12 ILE 34 HG12 ILE 34 -3.944 -2.995 -4.777 256 HG13 ILE 34 HG13 ILE 34 -3.772 -4.315 -5.926 257 HG21 ILE 34 HG21 ILE 34 -6.422 -6.437 -4.557 258 HG22 ILE 34 HG22 ILE 34 -5.206 -6.258 -5.824 259 HG23 ILE 34 HG23 ILE 34 -6.694 -5.311 -5.889 260 HD11 ILE 34 HD11 ILE 34 -5.877 -3.662 -6.983 261 HD12 ILE 34 HD12 ILE 34 -4.704 -2.345 -6.986 262 HD13 ILE 34 HD13 ILE 34 -6.037 -2.334 -5.832 263 H SER 35 H SER 35 -5.405 -4.793 -1.415 264 HA SER 35 HA SER 35 -8.043 -5.750 -0.481 265 HB2 SER 35 HB2 SER 35 -5.794 -7.678 -1.188 266 HB3 SER 35 HB3 SER 35 -7.165 -8.104 -0.166 267 HG SER 35 HG SER 35 -7.027 -7.785 -2.893 268 H LYS 36 H LYS 36 -8.178 -5.683 1.700 269 HA LYS 36 HA LYS 36 -5.780 -4.925 3.167 270 HB2 LYS 36 HB2 LYS 36 -8.641 -5.311 4.062 271 HB3 LYS 36 HB3 LYS 36 -7.355 -4.770 5.128 272 HG2 LYS 36 HG2 LYS 36 -7.038 -2.784 3.746 273 HG3 LYS 36 HG3 LYS 36 -8.321 -3.330 2.667 274 HD2 LYS 36 HD2 LYS 36 -9.943 -3.176 4.458 275 HD3 LYS 36 HD3 LYS 36 -8.674 -2.753 5.609 276 HE2 LYS 36 HE2 LYS 36 -8.224 -0.701 4.326 277 HE3 LYS 36 HE3 LYS 36 -9.526 -1.124 3.216 278 HZ1 LYS 36 HZ1 LYS 36 -10.252 0.473 4.879 279 HZ2 LYS 36 HZ2 LYS 36 -9.844 -0.598 6.123 280 HZ3 LYS 36 HZ3 LYS 36 -11.091 -0.987 5.049 281 H GLU 37 H GLU 37 -7.207 -7.846 2.305 282 HA GLU 37 HA GLU 37 -5.881 -9.270 4.605 283 HB2 GLU 37 HB2 GLU 37 -8.352 -9.588 4.513 284 HB3 GLU 37 HB3 GLU 37 -8.219 -10.165 2.859 285 HG2 GLU 37 HG2 GLU 37 -8.466 -11.995 4.455 286 HG3 GLU 37 HG3 GLU 37 -6.931 -12.078 3.593 287 H THR 38 H THR 38 -3.887 -9.686 3.841 288 HA THR 38 HA THR 38 -3.700 -10.778 1.071 289 HB THR 38 HB THR 38 -1.366 -10.179 1.101 290 HG1 THR 38 HG1 THR 38 -0.420 -10.227 3.003 291 HG21 THR 38 HG21 THR 38 -2.964 -7.918 2.309 292 HG22 THR 38 HG22 THR 38 -3.001 -8.389 0.608 293 HG23 THR 38 HG23 THR 38 -1.512 -7.767 1.321 294 H GLY 39 H GLY 39 -3.933 -11.890 4.217 295 HA2 GLY 39 HA2 GLY 39 -3.781 -14.314 4.527 296 HA3 GLY 39 HA3 GLY 39 -2.316 -14.315 3.555 297 H GLU 40 H GLU 40 -1.813 -11.613 5.164 298 HA GLU 40 HA GLU 40 -0.851 -12.935 7.724 299 HB2 GLU 40 HB2 GLU 40 0.706 -10.810 6.160 300 HB3 GLU 40 HB3 GLU 40 1.234 -11.748 7.548 301 HG2 GLU 40 HG2 GLU 40 2.275 -13.013 6.038 302 HG3 GLU 40 HG3 GLU 40 0.681 -13.711 5.743 303 H ALA 41 H ALA 41 -1.320 -11.766 9.494 304 HA ALA 41 HA ALA 41 -3.085 -9.515 9.330 305 HB1 ALA 41 HB1 ALA 41 -1.487 -10.469 11.707 306 HB2 ALA 41 HB2 ALA 41 -3.070 -11.080 11.228 307 HB3 ALA 41 HB3 ALA 41 -2.895 -9.406 11.751 308 H GLY 42 H GLY 42 -2.786 -7.321 9.544 309 HA2 GLY 42 HA2 GLY 42 -1.555 -5.347 9.881 310 HA3 GLY 42 HA3 GLY 42 -0.122 -6.298 10.227 311 H TRP 43 H TRP 43 -0.841 -7.745 7.507 312 HA TRP 43 HA TRP 43 0.769 -5.844 5.926 313 HB2 TRP 43 HB2 TRP 43 0.142 -8.778 5.624 314 HB3 TRP 43 HB3 TRP 43 0.893 -7.853 4.331 315 HD1 TRP 43 HD1 TRP 43 1.658 -9.550 7.612 316 HE1 TRP 43 HE1 TRP 43 4.206 -9.450 8.093 317 HE3 TRP 43 HE3 TRP 43 2.985 -6.253 3.935 318 HZ2 TRP 43 HZ2 TRP 43 6.448 -8.112 7.001 319 HZ3 TRP 43 HZ3 TRP 43 5.351 -5.614 3.719 320 HH2 TRP 43 HH2 TRP 43 7.046 -6.524 5.224 321 H TRP 44 H TRP 44 0.116 -4.854 4.099 322 HA TRP 44 HA TRP 44 -2.653 -5.479 3.177 323 HB2 TRP 44 HB2 TRP 44 -1.363 -2.863 3.805 324 HB3 TRP 44 HB3 TRP 44 -2.485 -2.920 2.451 325 HD1 TRP 44 HD1 TRP 44 -3.657 -5.313 4.994 326 HE1 TRP 44 HE1 TRP 44 -5.578 -4.318 6.424 327 HE3 TRP 44 HE3 TRP 44 -3.157 -0.421 3.610 328 HZ2 TRP 44 HZ2 TRP 44 -6.692 -1.756 6.862 329 HZ3 TRP 44 HZ3 TRP 44 -4.693 1.240 4.577 330 HH2 TRP 44 HH2 TRP 44 -6.423 0.585 6.169 331 H LYS 45 H LYS 45 -3.097 -4.868 0.911 332 HA LYS 45 HA LYS 45 -0.614 -5.033 -0.722 333 HB2 LYS 45 HB2 LYS 45 -1.967 -7.206 -0.513 334 HB3 LYS 45 HB3 LYS 45 -3.163 -6.404 -1.520 335 HG2 LYS 45 HG2 LYS 45 -1.754 -6.336 -3.362 336 HG3 LYS 45 HG3 LYS 45 -0.304 -6.559 -2.383 337 HD2 LYS 45 HD2 LYS 45 -1.173 -8.864 -1.835 338 HD3 LYS 45 HD3 LYS 45 -2.403 -8.605 -3.075 339 HE2 LYS 45 HE2 LYS 45 -0.695 -8.320 -4.761 340 HE3 LYS 45 HE3 LYS 45 0.572 -8.437 -3.541 341 HZ1 LYS 45 HZ1 LYS 45 -1.322 -10.601 -4.290 342 HZ2 LYS 45 HZ2 LYS 45 -0.123 -10.716 -3.103 343 HZ3 LYS 45 HZ3 LYS 45 0.310 -10.517 -4.726 344 H GLY 46 H GLY 46 -0.434 -3.717 -2.431 345 HA2 GLY 46 HA2 GLY 46 -2.874 -2.374 -3.426 346 HA3 GLY 46 HA3 GLY 46 -1.617 -1.356 -2.741 347 H GLU 47 H GLU 47 -2.231 -0.728 -5.200 348 HA GLU 47 HA GLU 47 -0.092 -1.970 -6.839 349 HB2 GLU 47 HB2 GLU 47 -2.391 -2.439 -7.693 350 HB3 GLU 47 HB3 GLU 47 -2.632 -0.706 -7.866 351 HG2 GLU 47 HG2 GLU 47 -0.252 -1.811 -9.204 352 HG3 GLU 47 HG3 GLU 47 -1.811 -2.321 -9.850 353 H LEU 48 H LEU 48 1.513 -0.756 -7.453 354 HA LEU 48 HA LEU 48 1.120 2.218 -7.515 355 HB2 LEU 48 HB2 LEU 48 2.120 1.660 -5.358 356 HB3 LEU 48 HB3 LEU 48 3.373 0.722 -6.146 357 HG LEU 48 HG LEU 48 4.145 2.839 -7.265 358 HD11 LEU 48 HD11 LEU 48 2.103 4.125 -7.080 359 HD12 LEU 48 HD12 LEU 48 3.425 4.957 -6.260 360 HD13 LEU 48 HD13 LEU 48 2.212 4.088 -5.320 361 HD21 LEU 48 HD21 LEU 48 5.313 1.959 -5.327 362 HD22 LEU 48 HD22 LEU 48 4.173 2.759 -4.246 363 HD23 LEU 48 HD23 LEU 48 5.258 3.720 -5.252 364 H ASN 49 H ASN 49 1.454 2.697 -9.617 365 HA ASN 49 HA ASN 49 2.483 2.784 -11.731 366 HB2 ASN 49 HB2 ASN 49 4.944 2.132 -10.034 367 HB3 ASN 49 HB3 ASN 49 4.978 2.663 -11.710 368 HD21 ASN 49 HD21 ASN 49 6.181 4.496 -11.253 369 HD22 ASN 49 HD22 ASN 49 5.459 5.906 -10.404 370 H GLY 50 H GLY 50 1.134 0.431 -11.126 371 HA2 GLY 50 HA2 GLY 50 0.823 -1.463 -12.430 372 HA3 GLY 50 HA3 GLY 50 2.384 -1.212 -13.178 373 H LYS 51 H LYS 51 3.013 -1.211 -9.832 374 HA LYS 51 HA LYS 51 3.561 -4.129 -10.018 375 HB2 LYS 51 HB2 LYS 51 5.043 -1.788 -8.954 376 HB3 LYS 51 HB3 LYS 51 5.127 -3.257 -7.994 377 HG2 LYS 51 HG2 LYS 51 6.996 -3.049 -9.556 378 HG3 LYS 51 HG3 LYS 51 6.019 -4.482 -9.874 379 HD2 LYS 51 HD2 LYS 51 4.990 -2.280 -11.388 380 HD3 LYS 51 HD3 LYS 51 6.726 -2.414 -11.667 381 HE2 LYS 51 HE2 LYS 51 4.744 -4.675 -11.922 382 HE3 LYS 51 HE3 LYS 51 5.390 -3.737 -13.268 383 HZ1 LYS 51 HZ1 LYS 51 7.617 -4.508 -12.661 384 HZ2 LYS 51 HZ2 LYS 51 6.589 -5.801 -13.026 385 HZ3 LYS 51 HZ3 LYS 51 6.962 -5.449 -11.415 386 H GLU 52 H GLU 52 2.785 -5.482 -8.533 387 HA GLU 52 HA GLU 52 1.140 -4.278 -6.357 388 HB2 GLU 52 HB2 GLU 52 0.150 -6.628 -6.242 389 HB3 GLU 52 HB3 GLU 52 -0.277 -5.626 -7.617 390 HG2 GLU 52 HG2 GLU 52 0.106 -7.805 -8.435 391 HG3 GLU 52 HG3 GLU 52 1.488 -6.832 -8.926 392 H GLY 53 H GLY 53 1.473 -4.924 -4.184 393 HA2 GLY 53 HA2 GLY 53 3.130 -7.149 -3.476 394 HA3 GLY 53 HA3 GLY 53 4.104 -5.689 -3.490 395 H VAL 54 H VAL 54 4.065 -6.912 -1.171 396 HA VAL 54 HA VAL 54 1.840 -5.767 0.408 397 HB VAL 54 HB VAL 54 2.717 -7.060 2.298 398 HG11 VAL 54 HG11 VAL 54 1.061 -8.044 0.820 399 HG12 VAL 54 HG12 VAL 54 2.163 -9.276 1.434 400 HG13 VAL 54 HG13 VAL 54 2.341 -8.677 -0.216 401 HG21 VAL 54 HG21 VAL 54 5.094 -7.047 1.729 402 HG22 VAL 54 HG22 VAL 54 4.776 -8.092 0.345 403 HG23 VAL 54 HG23 VAL 54 4.509 -8.691 1.983 404 H PHE 55 H PHE 55 2.230 -4.661 2.378 405 HA PHE 55 HA PHE 55 4.816 -3.414 2.814 406 HB2 PHE 55 HB2 PHE 55 4.140 -1.131 2.268 407 HB3 PHE 55 HB3 PHE 55 3.956 -2.156 0.845 408 HD1 PHE 55 HD1 PHE 55 1.669 -2.993 0.229 409 HD2 PHE 55 HD2 PHE 55 2.289 0.018 3.171 410 HE1 PHE 55 HE1 PHE 55 -0.702 -2.353 0.070 411 HE2 PHE 55 HE2 PHE 55 -0.081 0.661 3.019 412 HZ PHE 55 HZ PHE 55 -1.580 -0.527 1.473 413 HA PRO 56 HA PRO 56 3.251 -2.412 6.670 414 HB2 PRO 56 HB2 PRO 56 4.114 0.069 6.846 415 HB3 PRO 56 HB3 PRO 56 4.691 -1.251 7.866 416 HG2 PRO 56 HG2 PRO 56 6.186 -0.183 5.873 417 HG3 PRO 56 HG3 PRO 56 6.317 -1.883 6.356 418 HD2 PRO 56 HD2 PRO 56 4.964 -0.667 4.005 419 HD3 PRO 56 HD3 PRO 56 5.811 -2.215 4.141 420 H ASP 57 H ASP 57 1.358 -2.055 7.831 421 HA ASP 57 HA ASP 57 -0.364 -0.437 6.037 422 HB2 ASP 57 HB2 ASP 57 -2.188 -1.529 6.894 423 HB3 ASP 57 HB3 ASP 57 -0.979 -2.773 7.172 424 H ASN 58 H ASN 58 1.820 0.062 8.364 425 HA ASN 58 HA ASN 58 0.306 2.161 9.813 426 HB2 ASN 58 HB2 ASN 58 2.967 0.832 10.357 427 HB3 ASN 58 HB3 ASN 58 2.242 2.072 11.374 428 HD21 ASN 58 HD21 ASN 58 3.031 -0.633 12.052 429 HD22 ASN 58 HD22 ASN 58 1.534 -1.449 12.626 430 H PHE 59 H PHE 59 2.274 1.781 7.122 431 HA PHE 59 HA PHE 59 3.765 4.317 7.488 432 HB2 PHE 59 HB2 PHE 59 3.957 1.972 5.631 433 HB3 PHE 59 HB3 PHE 59 4.633 3.516 5.121 434 HD1 PHE 59 HD1 PHE 59 4.628 1.392 8.205 435 HD2 PHE 59 HD2 PHE 59 6.878 3.768 5.480 436 HE1 PHE 59 HE1 PHE 59 6.676 0.913 9.482 437 HE2 PHE 59 HE2 PHE 59 8.928 3.290 6.752 438 HZ PHE 59 HZ PHE 59 8.829 1.862 8.755 439 H ALA 60 H ALA 60 0.732 3.727 6.785 440 HA ALA 60 HA ALA 60 0.522 6.025 5.005 441 HB1 ALA 60 HB1 ALA 60 0.758 4.138 3.407 442 HB2 ALA 60 HB2 ALA 60 -0.821 4.915 3.298 443 HB3 ALA 60 HB3 ALA 60 -0.653 3.371 4.135 444 H VAL 61 H VAL 61 -1.693 6.798 4.770 445 HA VAL 61 HA VAL 61 -3.317 5.923 7.107 446 HB VAL 61 HB VAL 61 -2.414 8.167 7.457 447 HG11 VAL 61 HG11 VAL 61 -2.180 8.806 5.088 448 HG12 VAL 61 HG12 VAL 61 -3.008 10.036 6.042 449 HG13 VAL 61 HG13 VAL 61 -3.932 8.976 4.979 450 HG21 VAL 61 HG21 VAL 61 -4.616 7.608 8.372 451 HG22 VAL 61 HG22 VAL 61 -5.381 8.209 6.900 452 HG23 VAL 61 HG23 VAL 61 -4.502 9.317 7.954 453 H GLN 62 H GLN 62 -5.063 4.903 6.609 454 HA GLN 62 HA GLN 62 -6.193 4.994 3.921 455 HB2 GLN 62 HB2 GLN 62 -6.050 2.975 5.492 456 HB3 GLN 62 HB3 GLN 62 -7.427 3.689 6.326 457 HG2 GLN 62 HG2 GLN 62 -8.202 2.044 4.751 458 HG3 GLN 62 HG3 GLN 62 -8.696 3.648 4.219 459 HE21 GLN 62 HE21 GLN 62 -8.937 3.133 2.086 460 HE22 GLN 62 HE22 GLN 62 -7.538 2.711 1.038 461 H ILE 63 H ILE 63 -8.071 5.893 3.217 462 HA ILE 63 HA ILE 63 -9.082 8.152 4.647 463 HB ILE 63 HB ILE 63 -10.402 6.628 2.391 464 HG12 ILE 63 HG12 ILE 63 -8.178 7.402 1.742 465 HG13 ILE 63 HG13 ILE 63 -9.413 8.352 0.923 466 HG21 ILE 63 HG21 ILE 63 -10.875 9.419 3.428 467 HG22 ILE 63 HG22 ILE 63 -11.987 8.054 3.527 468 HG23 ILE 63 HG23 ILE 63 -11.583 8.749 1.958 469 HD11 ILE 63 HD11 ILE 63 -7.824 9.203 3.334 470 HD12 ILE 63 HD12 ILE 63 -9.087 10.154 2.552 471 HD13 ILE 63 HD13 ILE 63 -7.605 9.766 1.678 472 H SER 64 H SER 64 -10.387 4.866 4.088 473 HA SER 64 HA SER 64 -12.089 5.278 6.499 474 HB2 SER 64 HB2 SER 64 -13.811 3.837 5.371 475 HB3 SER 64 HB3 SER 64 -13.579 5.414 4.617 476 HG SER 64 HG SER 64 -12.648 4.483 2.913 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -15.372 -5.173 6.994 2 H2 GLY 1 H2 GLY 1 -14.897 -5.900 5.541 3 H3 GLY 1 H3 GLY 1 -16.119 -4.729 5.542 4 HA2 GLY 1 HA2 GLY 1 -14.535 -3.044 6.268 5 HA3 GLY 1 HA3 GLY 1 -13.269 -4.261 6.235 6 H ALA 2 H ALA 2 -12.476 -5.054 4.254 7 HA ALA 2 HA ALA 2 -12.457 -3.088 2.181 8 HB1 ALA 2 HB1 ALA 2 -11.119 -4.716 0.920 9 HB2 ALA 2 HB2 ALA 2 -11.534 -5.962 2.098 10 HB3 ALA 2 HB3 ALA 2 -10.566 -4.573 2.589 11 H MET 3 H MET 3 -13.384 -3.029 0.150 12 HA MET 3 HA MET 3 -14.397 -5.108 -1.208 13 HB2 MET 3 HB2 MET 3 -16.332 -4.381 0.816 14 HB3 MET 3 HB3 MET 3 -17.038 -4.138 -0.775 15 HG2 MET 3 HG2 MET 3 -16.518 -6.434 -1.377 16 HG3 MET 3 HG3 MET 3 -15.766 -6.687 0.196 17 HE1 MET 3 HE1 MET 3 -19.037 -8.834 0.420 18 HE2 MET 3 HE2 MET 3 -17.279 -8.839 0.563 19 HE3 MET 3 HE3 MET 3 -18.035 -8.579 -1.009 20 H GLY 4 H GLY 4 -14.205 -4.370 -3.233 21 HA2 GLY 4 HA2 GLY 4 -13.458 -2.246 -4.378 22 HA3 GLY 4 HA3 GLY 4 -14.961 -2.898 -4.986 23 H ALA 5 H ALA 5 -13.787 -0.553 -2.414 24 HA ALA 5 HA ALA 5 -16.146 1.050 -3.243 25 HB1 ALA 5 HB1 ALA 5 -16.064 2.118 -1.063 26 HB2 ALA 5 HB2 ALA 5 -14.587 1.242 -0.663 27 HB3 ALA 5 HB3 ALA 5 -16.101 0.365 -0.871 28 H LYS 6 H LYS 6 -12.889 0.858 -3.837 29 HA LYS 6 HA LYS 6 -11.606 2.317 -5.071 30 HB2 LYS 6 HB2 LYS 6 -13.754 4.385 -4.542 31 HB3 LYS 6 HB3 LYS 6 -12.339 4.647 -5.544 32 HG2 LYS 6 HG2 LYS 6 -13.085 3.219 -7.209 33 HG3 LYS 6 HG3 LYS 6 -14.207 2.390 -6.130 34 HD2 LYS 6 HD2 LYS 6 -14.529 5.285 -6.881 35 HD3 LYS 6 HD3 LYS 6 -15.218 3.976 -7.841 36 HE2 LYS 6 HE2 LYS 6 -15.772 4.455 -4.914 37 HE3 LYS 6 HE3 LYS 6 -16.825 4.953 -6.235 38 HZ1 LYS 6 HZ1 LYS 6 -16.095 2.164 -5.515 39 HZ2 LYS 6 HZ2 LYS 6 -17.010 2.595 -6.870 40 HZ3 LYS 6 HZ3 LYS 6 -17.609 2.897 -5.318 41 H GLU 7 H GLU 7 -10.907 1.639 -2.584 42 HA GLU 7 HA GLU 7 -10.514 4.052 -0.971 43 HB2 GLU 7 HB2 GLU 7 -9.690 1.183 -0.514 44 HB3 GLU 7 HB3 GLU 7 -9.419 2.483 0.638 45 HG2 GLU 7 HG2 GLU 7 -11.424 2.128 1.488 46 HG3 GLU 7 HG3 GLU 7 -12.149 2.562 -0.059 47 H TYR 8 H TYR 8 -8.788 5.265 -0.808 48 HA TYR 8 HA TYR 8 -6.233 4.264 -1.997 49 HB2 TYR 8 HB2 TYR 8 -7.076 7.162 -1.942 50 HB3 TYR 8 HB3 TYR 8 -5.749 6.440 -2.841 51 HD1 TYR 8 HD1 TYR 8 -6.377 4.738 -4.678 52 HD2 TYR 8 HD2 TYR 8 -9.147 7.479 -2.973 53 HE1 TYR 8 HE1 TYR 8 -7.839 4.470 -6.635 54 HE2 TYR 8 HE2 TYR 8 -10.617 7.219 -4.926 55 HH TYR 8 HH TYR 8 -10.371 6.541 -7.345 56 H CYS 9 H CYS 9 -4.268 5.432 -1.130 57 HA CYS 9 HA CYS 9 -4.699 6.449 1.600 58 HB2 CYS 9 HB2 CYS 9 -2.991 4.906 2.545 59 HB3 CYS 9 HB3 CYS 9 -4.450 4.087 2.003 60 HG CYS 9 HG CYS 9 -1.674 4.253 0.025 61 H ARG 10 H ARG 10 -3.086 7.771 2.435 62 HA ARG 10 HA ARG 10 -1.048 8.579 0.424 63 HB2 ARG 10 HB2 ARG 10 -2.460 10.403 1.165 64 HB3 ARG 10 HB3 ARG 10 -2.157 10.009 2.853 65 HG2 ARG 10 HG2 ARG 10 0.203 10.600 2.561 66 HG3 ARG 10 HG3 ARG 10 -0.117 11.017 0.877 67 HD2 ARG 10 HD2 ARG 10 -1.512 12.832 1.502 68 HD3 ARG 10 HD3 ARG 10 -1.555 12.306 3.184 69 HE ARG 10 HE ARG 10 0.513 13.285 3.565 70 HH11 ARG 10 HH11 ARG 10 -0.205 13.269 0.094 71 HH12 ARG 10 HH12 ARG 10 1.105 14.330 -0.301 72 HH21 ARG 10 HH21 ARG 10 2.222 14.677 2.996 73 HH22 ARG 10 HH22 ARG 10 2.483 15.128 1.345 74 H THR 11 H THR 11 1.093 8.305 0.781 75 HA THR 11 HA THR 11 1.836 6.628 3.021 76 HB THR 11 HB THR 11 4.154 6.843 2.121 77 HG1 THR 11 HG1 THR 11 4.564 8.146 0.441 78 HG21 THR 11 HG21 THR 11 1.975 6.097 0.168 79 HG22 THR 11 HG22 THR 11 2.751 5.038 1.346 80 HG23 THR 11 HG23 THR 11 3.676 5.670 -0.016 81 H LEU 12 H LEU 12 2.035 7.342 5.002 82 HA LEU 12 HA LEU 12 2.740 10.099 5.502 83 HB2 LEU 12 HB2 LEU 12 2.323 7.841 7.430 84 HB3 LEU 12 HB3 LEU 12 2.537 9.519 7.892 85 HG LEU 12 HG LEU 12 0.233 8.428 6.274 86 HD11 LEU 12 HD11 LEU 12 -1.100 8.927 8.264 87 HD12 LEU 12 HD12 LEU 12 0.367 9.386 9.128 88 HD13 LEU 12 HD13 LEU 12 0.141 7.720 8.596 89 HD21 LEU 12 HD21 LEU 12 0.759 11.203 7.335 90 HD22 LEU 12 HD22 LEU 12 -0.740 10.664 6.579 91 HD23 LEU 12 HD23 LEU 12 0.752 10.714 5.641 92 H PHE 13 H PHE 13 4.418 7.178 5.050 93 HA PHE 13 HA PHE 13 6.949 8.463 5.792 94 HB2 PHE 13 HB2 PHE 13 5.905 5.963 7.117 95 HB3 PHE 13 HB3 PHE 13 7.633 6.277 6.983 96 HD1 PHE 13 HD1 PHE 13 8.636 8.196 8.148 97 HD2 PHE 13 HD2 PHE 13 4.544 7.148 8.673 98 HE1 PHE 13 HE1 PHE 13 8.549 9.578 10.180 99 HE2 PHE 13 HE2 PHE 13 4.450 8.529 10.707 100 HZ PHE 13 HZ PHE 13 6.453 9.745 11.463 101 HA PRO 14 HA PRO 14 8.116 6.208 2.185 102 HB2 PRO 14 HB2 PRO 14 10.809 6.277 2.348 103 HB3 PRO 14 HB3 PRO 14 9.850 7.738 2.085 104 HG2 PRO 14 HG2 PRO 14 11.100 6.719 4.602 105 HG3 PRO 14 HG3 PRO 14 11.013 8.379 3.987 106 HD2 PRO 14 HD2 PRO 14 9.337 7.338 5.914 107 HD3 PRO 14 HD3 PRO 14 8.933 8.716 4.874 108 H TYR 15 H TYR 15 8.783 4.214 1.410 109 HA TYR 15 HA TYR 15 9.962 2.269 3.317 110 HB2 TYR 15 HB2 TYR 15 7.527 2.005 3.562 111 HB3 TYR 15 HB3 TYR 15 7.366 1.799 1.822 112 HD1 TYR 15 HD2 TYR 15 8.129 -0.267 0.739 113 HD2 TYR 15 HD1 TYR 15 8.334 0.212 4.962 114 HE1 TYR 15 HE2 TYR 15 8.447 -2.691 0.992 115 HE2 TYR 15 HE1 TYR 15 8.654 -2.211 5.226 116 HH TYR 15 HH TYR 15 8.102 -4.303 3.890 117 H THR 16 H THR 16 11.465 1.040 2.405 118 HA THR 16 HA THR 16 11.541 1.024 -0.573 119 HB THR 16 HB THR 16 13.825 0.540 1.358 120 HG1 THR 16 HG1 THR 16 13.583 2.685 1.436 121 HG21 THR 16 HG21 THR 16 13.782 0.831 -1.651 122 HG22 THR 16 HG22 THR 16 14.138 -0.642 -0.749 123 HG23 THR 16 HG23 THR 16 15.237 0.734 -0.659 124 H GLY 17 H GLY 17 11.239 -0.867 -1.628 125 HA2 GLY 17 HA2 GLY 17 10.644 -3.229 -0.052 126 HA3 GLY 17 HA3 GLY 17 10.624 -3.093 -1.801 127 H THR 18 H THR 18 11.736 -5.074 0.252 128 HA THR 18 HA THR 18 14.603 -5.004 -0.491 129 HB THR 18 HB THR 18 14.818 -6.958 1.028 130 HG1 THR 18 HG1 THR 18 12.884 -7.940 1.132 131 HG21 THR 18 HG21 THR 18 13.436 -4.563 2.244 132 HG22 THR 18 HG22 THR 18 15.158 -4.694 1.885 133 HG23 THR 18 HG23 THR 18 14.432 -5.730 3.113 134 H ASN 19 H ASN 19 11.630 -6.395 -1.477 135 HA ASN 19 HA ASN 19 13.064 -8.393 -3.209 136 HB2 ASN 19 HB2 ASN 19 10.997 -8.798 -1.285 137 HB3 ASN 19 HB3 ASN 19 10.241 -8.926 -2.868 138 HD21 ASN 19 HD21 ASN 19 10.912 -10.886 -0.695 139 HD22 ASN 19 HD22 ASN 19 11.812 -12.185 -1.554 140 H GLU 20 H GLU 20 12.157 -8.651 -5.323 141 HA GLU 20 HA GLU 20 11.509 -6.252 -6.617 142 HB2 GLU 20 HB2 GLU 20 12.287 -8.446 -7.647 143 HB3 GLU 20 HB3 GLU 20 10.606 -8.962 -7.601 144 HG2 GLU 20 HG2 GLU 20 9.976 -7.546 -9.270 145 HG3 GLU 20 HG3 GLU 20 11.222 -6.359 -8.887 146 H ASP 21 H ASP 21 9.179 -8.951 -6.102 147 HA ASP 21 HA ASP 21 6.853 -7.755 -6.741 148 HB2 ASP 21 HB2 ASP 21 7.368 -9.580 -4.420 149 HB3 ASP 21 HB3 ASP 21 5.755 -9.177 -5.002 150 H GLU 22 H GLU 22 8.640 -7.167 -3.741 151 HA GLU 22 HA GLU 22 6.507 -5.892 -2.311 152 HB2 GLU 22 HB2 GLU 22 8.760 -6.837 -1.464 153 HB3 GLU 22 HB3 GLU 22 9.426 -5.276 -1.919 154 HG2 GLU 22 HG2 GLU 22 8.275 -4.153 -0.275 155 HG3 GLU 22 HG3 GLU 22 7.021 -5.385 -0.164 156 H LEU 23 H LEU 23 6.043 -3.708 -1.947 157 HA LEU 23 HA LEU 23 6.633 -2.040 -4.299 158 HB2 LEU 23 HB2 LEU 23 4.618 -2.088 -2.165 159 HB3 LEU 23 HB3 LEU 23 5.147 -0.475 -2.600 160 HG LEU 23 HG LEU 23 4.086 -2.502 -4.576 161 HD11 LEU 23 HD11 LEU 23 2.717 -0.159 -3.264 162 HD12 LEU 23 HD12 LEU 23 2.328 -1.865 -3.043 163 HD13 LEU 23 HD13 LEU 23 2.068 -1.096 -4.609 164 HD21 LEU 23 HD21 LEU 23 3.935 -0.561 -6.072 165 HD22 LEU 23 HD22 LEU 23 5.596 -0.877 -5.574 166 HD23 LEU 23 HD23 LEU 23 4.690 0.443 -4.835 167 H THR 24 H THR 24 7.547 -0.018 -4.330 168 HA THR 24 HA THR 24 9.056 0.743 -1.861 169 HB THR 24 HB THR 24 10.097 0.848 -4.722 170 HG1 THR 24 HG1 THR 24 10.441 -1.195 -4.074 171 HG21 THR 24 HG21 THR 24 12.229 1.557 -3.624 172 HG22 THR 24 HG22 THR 24 11.330 1.752 -2.120 173 HG23 THR 24 HG23 THR 24 10.935 2.751 -3.517 174 H PHE 25 H PHE 25 8.942 2.931 -1.346 175 HA PHE 25 HA PHE 25 8.238 4.880 -3.377 176 HB2 PHE 25 HB2 PHE 25 6.131 5.595 -2.127 177 HB3 PHE 25 HB3 PHE 25 6.021 4.148 -3.120 178 HD1 PHE 25 HD1 PHE 25 6.234 5.403 0.337 179 HD2 PHE 25 HD2 PHE 25 5.556 2.027 -2.163 180 HE1 PHE 25 HE1 PHE 25 5.400 4.138 2.276 181 HE2 PHE 25 HE2 PHE 25 4.720 0.757 -0.231 182 HZ PHE 25 HZ PHE 25 4.641 1.812 1.994 183 H ARG 26 H ARG 26 7.919 7.100 -2.434 184 HA ARG 26 HA ARG 26 9.599 7.379 0.018 185 HB2 ARG 26 HB2 ARG 26 9.029 9.395 -2.171 186 HB3 ARG 26 HB3 ARG 26 10.069 9.664 -0.779 187 HG2 ARG 26 HG2 ARG 26 11.631 8.014 -1.558 188 HG3 ARG 26 HG3 ARG 26 10.553 7.564 -2.880 189 HD2 ARG 26 HD2 ARG 26 10.768 9.828 -3.807 190 HD3 ARG 26 HD3 ARG 26 11.868 10.250 -2.497 191 HE ARG 26 HE ARG 26 13.568 8.979 -3.477 192 HH11 ARG 26 HH11 ARG 26 10.523 8.627 -5.258 193 HH12 ARG 26 HH12 ARG 26 11.282 7.927 -6.648 194 HH21 ARG 26 HH21 ARG 26 14.519 8.054 -5.328 195 HH22 ARG 26 HH22 ARG 26 13.547 7.600 -6.688 196 H GLU 27 H GLU 27 9.003 9.411 1.398 197 HA GLU 27 HA GLU 27 6.276 9.101 2.158 198 HB2 GLU 27 HB2 GLU 27 8.238 9.869 3.594 199 HB3 GLU 27 HB3 GLU 27 8.085 11.446 2.835 200 HG2 GLU 27 HG2 GLU 27 5.851 11.690 3.723 201 HG3 GLU 27 HG3 GLU 27 5.927 10.071 4.416 202 H GLY 28 H GLY 28 4.457 10.245 1.757 203 HA2 GLY 28 HA2 GLY 28 3.133 11.937 0.797 204 HA3 GLY 28 HA3 GLY 28 4.585 12.743 0.215 205 H GLU 29 H GLU 29 2.477 9.924 -0.316 206 HA GLU 29 HA GLU 29 2.453 10.318 -3.177 207 HB2 GLU 29 HB2 GLU 29 4.737 9.148 -2.558 208 HB3 GLU 29 HB3 GLU 29 3.727 7.722 -2.376 209 HG2 GLU 29 HG2 GLU 29 3.902 9.394 -4.870 210 HG3 GLU 29 HG3 GLU 29 4.796 7.903 -4.587 211 H ILE 30 H ILE 30 0.556 9.494 -3.931 212 HA ILE 30 HA ILE 30 -1.007 7.945 -1.994 213 HB ILE 30 HB ILE 30 -1.861 9.035 -4.673 214 HG12 ILE 30 HG12 ILE 30 -1.235 10.840 -3.153 215 HG13 ILE 30 HG13 ILE 30 -2.981 10.805 -3.368 216 HG21 ILE 30 HG21 ILE 30 -3.477 7.900 -2.393 217 HG22 ILE 30 HG22 ILE 30 -3.266 7.192 -3.995 218 HG23 ILE 30 HG23 ILE 30 -4.152 8.705 -3.808 219 HD11 ILE 30 HD11 ILE 30 -3.190 9.633 -1.214 220 HD12 ILE 30 HD12 ILE 30 -2.441 11.222 -1.064 221 HD13 ILE 30 HD13 ILE 30 -1.444 9.769 -0.999 222 H ILE 31 H ILE 31 -1.287 5.841 -2.019 223 HA ILE 31 HA ILE 31 -0.524 4.378 -4.504 224 HB ILE 31 HB ILE 31 -0.607 3.317 -1.672 225 HG12 ILE 31 HG12 ILE 31 1.812 4.081 -3.326 226 HG13 ILE 31 HG13 ILE 31 1.150 5.060 -2.022 227 HG21 ILE 31 HG21 ILE 31 0.657 1.424 -2.605 228 HG22 ILE 31 HG22 ILE 31 0.490 2.122 -4.216 229 HG23 ILE 31 HG23 ILE 31 -0.939 1.584 -3.335 230 HD11 ILE 31 HD11 ILE 31 2.310 2.296 -1.756 231 HD12 ILE 31 HD12 ILE 31 1.614 3.245 -0.443 232 HD13 ILE 31 HD13 ILE 31 3.070 3.808 -1.261 233 H HIS 32 H HIS 32 -1.814 2.668 -5.228 234 HA HIS 32 HA HIS 32 -4.640 3.063 -4.543 235 HB2 HIS 32 HB2 HIS 32 -3.154 1.756 -6.751 236 HB3 HIS 32 HB3 HIS 32 -4.661 0.963 -6.306 237 HD1 HIS 32 HD1 HIS 32 -3.588 4.599 -6.902 238 HD2 HIS 32 HD2 HIS 32 -6.682 1.917 -7.802 239 HE1 HIS 32 HE1 HIS 32 -5.256 5.879 -8.321 240 HE2 HIS 32 HE2 HIS 32 -7.182 4.285 -8.775 241 H LEU 33 H LEU 33 -5.738 1.937 -3.058 242 HA LEU 33 HA LEU 33 -4.349 -0.277 -1.718 243 HB2 LEU 33 HB2 LEU 33 -5.680 1.585 -0.575 244 HB3 LEU 33 HB3 LEU 33 -7.120 0.760 -1.137 245 HG LEU 33 HG LEU 33 -5.044 -0.529 0.632 246 HD11 LEU 33 HD11 LEU 33 -6.029 1.339 1.809 247 HD12 LEU 33 HD12 LEU 33 -6.647 -0.180 2.458 248 HD13 LEU 33 HD13 LEU 33 -7.648 0.789 1.376 249 HD21 LEU 33 HD21 LEU 33 -7.829 -1.325 -0.199 250 HD22 LEU 33 HD22 LEU 33 -6.916 -2.112 1.086 251 HD23 LEU 33 HD23 LEU 33 -6.321 -2.159 -0.572 252 H ILE 34 H ILE 34 -4.411 -2.228 -2.602 253 HA ILE 34 HA ILE 34 -6.764 -2.963 -4.197 254 HB ILE 34 HB ILE 34 -4.190 -4.492 -3.771 255 HG12 ILE 34 HG12 ILE 34 -3.772 -2.358 -4.888 256 HG13 ILE 34 HG13 ILE 34 -3.551 -3.694 -6.012 257 HG21 ILE 34 HG21 ILE 34 -5.963 -5.975 -4.430 258 HG22 ILE 34 HG22 ILE 34 -4.850 -5.748 -5.780 259 HG23 ILE 34 HG23 ILE 34 -6.403 -4.912 -5.768 260 HD11 ILE 34 HD11 ILE 34 -5.956 -1.895 -5.842 261 HD12 ILE 34 HD12 ILE 34 -5.766 -3.248 -6.956 262 HD13 ILE 34 HD13 ILE 34 -4.697 -1.851 -7.076 263 H SER 35 H SER 35 -4.940 -4.244 -1.385 264 HA SER 35 HA SER 35 -7.487 -5.404 -0.399 265 HB2 SER 35 HB2 SER 35 -6.506 -7.151 -1.903 266 HB3 SER 35 HB3 SER 35 -5.065 -7.190 -0.889 267 HG SER 35 HG SER 35 -7.666 -8.072 -0.329 268 H LYS 36 H LYS 36 -7.590 -5.218 1.764 269 HA LYS 36 HA LYS 36 -5.213 -4.333 3.201 270 HB2 LYS 36 HB2 LYS 36 -8.049 -4.818 4.123 271 HB3 LYS 36 HB3 LYS 36 -6.776 -4.179 5.154 272 HG2 LYS 36 HG2 LYS 36 -6.534 -2.262 3.622 273 HG3 LYS 36 HG3 LYS 36 -7.874 -2.888 2.665 274 HD2 LYS 36 HD2 LYS 36 -8.090 -2.216 5.594 275 HD3 LYS 36 HD3 LYS 36 -8.480 -1.080 4.301 276 HE2 LYS 36 HE2 LYS 36 -10.166 -2.648 3.451 277 HE3 LYS 36 HE3 LYS 36 -9.784 -3.762 4.763 278 HZ1 LYS 36 HZ1 LYS 36 -11.743 -2.453 5.269 279 HZ2 LYS 36 HZ2 LYS 36 -10.873 -1.016 5.080 280 HZ3 LYS 36 HZ3 LYS 36 -10.495 -2.071 6.346 281 H GLU 37 H GLU 37 -6.727 -7.329 2.541 282 HA GLU 37 HA GLU 37 -5.098 -8.613 4.725 283 HB2 GLU 37 HB2 GLU 37 -7.709 -9.543 3.454 284 HB3 GLU 37 HB3 GLU 37 -6.720 -10.518 4.535 285 HG2 GLU 37 HG2 GLU 37 -6.983 -8.608 6.211 286 HG3 GLU 37 HG3 GLU 37 -8.269 -8.030 5.155 287 H THR 38 H THR 38 -3.244 -8.696 3.524 288 HA THR 38 HA THR 38 -3.305 -10.011 0.901 289 HB THR 38 HB THR 38 -0.939 -9.575 0.782 290 HG1 THR 38 HG1 THR 38 -1.147 -8.759 3.512 291 HG21 THR 38 HG21 THR 38 -2.507 -7.688 0.391 292 HG22 THR 38 HG22 THR 38 -0.919 -7.169 0.954 293 HG23 THR 38 HG23 THR 38 -2.284 -7.201 2.070 294 H GLY 39 H GLY 39 -3.596 -11.266 3.909 295 HA2 GLY 39 HA2 GLY 39 -3.540 -13.745 3.946 296 HA3 GLY 39 HA3 GLY 39 -1.987 -13.667 3.132 297 H GLU 40 H GLU 40 -1.315 -11.252 4.897 298 HA GLU 40 HA GLU 40 -0.775 -12.804 7.430 299 HB2 GLU 40 HB2 GLU 40 1.225 -12.412 5.833 300 HB3 GLU 40 HB3 GLU 40 1.085 -10.704 6.215 301 HG2 GLU 40 HG2 GLU 40 1.728 -11.006 8.416 302 HG3 GLU 40 HG3 GLU 40 1.306 -12.718 8.410 303 H ALA 41 H ALA 41 -1.237 -11.694 9.282 304 HA ALA 41 HA ALA 41 -3.015 -9.497 9.192 305 HB1 ALA 41 HB1 ALA 41 -1.284 -10.351 11.512 306 HB2 ALA 41 HB2 ALA 41 -2.839 -11.062 11.079 307 HB3 ALA 41 HB3 ALA 41 -2.753 -9.380 11.601 308 H GLY 42 H GLY 42 -2.854 -7.307 9.380 309 HA2 GLY 42 HA2 GLY 42 -1.799 -5.245 9.628 310 HA3 GLY 42 HA3 GLY 42 -0.314 -6.063 10.071 311 H TRP 43 H TRP 43 -0.929 -7.576 7.284 312 HA TRP 43 HA TRP 43 0.746 -5.654 5.798 313 HB2 TRP 43 HB2 TRP 43 0.119 -8.573 5.438 314 HB3 TRP 43 HB3 TRP 43 0.878 -7.635 4.156 315 HD1 TRP 43 HD1 TRP 43 1.556 -8.865 7.741 316 HE1 TRP 43 HE1 TRP 43 4.119 -8.880 8.154 317 HE3 TRP 43 HE3 TRP 43 3.032 -6.651 3.379 318 HZ2 TRP 43 HZ2 TRP 43 6.430 -8.040 6.749 319 HZ3 TRP 43 HZ3 TRP 43 5.432 -6.291 2.987 320 HH2 TRP 43 HH2 TRP 43 7.097 -6.969 4.637 321 H TRP 44 H TRP 44 0.216 -4.632 3.968 322 HA TRP 44 HA TRP 44 -2.538 -5.127 2.902 323 HB2 TRP 44 HB2 TRP 44 -1.102 -2.545 3.499 324 HB3 TRP 44 HB3 TRP 44 -2.309 -2.601 2.224 325 HD1 TRP 44 HD1 TRP 44 -3.188 -4.768 5.157 326 HE1 TRP 44 HE1 TRP 44 -5.050 -3.657 6.578 327 HE3 TRP 44 HE3 TRP 44 -3.099 -0.133 3.004 328 HZ2 TRP 44 HZ2 TRP 44 -6.281 -1.116 6.718 329 HZ3 TRP 44 HZ3 TRP 44 -4.655 1.583 3.841 330 HH2 TRP 44 HH2 TRP 44 -6.210 1.099 5.661 331 H LYS 45 H LYS 45 -2.857 -4.576 0.658 332 HA LYS 45 HA LYS 45 -0.322 -4.777 -0.901 333 HB2 LYS 45 HB2 LYS 45 -1.375 -6.930 -1.070 334 HB3 LYS 45 HB3 LYS 45 -2.943 -6.203 -1.392 335 HG2 LYS 45 HG2 LYS 45 -2.310 -5.550 -3.565 336 HG3 LYS 45 HG3 LYS 45 -0.602 -5.839 -3.238 337 HD2 LYS 45 HD2 LYS 45 -2.571 -8.088 -3.074 338 HD3 LYS 45 HD3 LYS 45 -1.954 -7.561 -4.641 339 HE2 LYS 45 HE2 LYS 45 0.364 -7.849 -3.702 340 HE3 LYS 45 HE3 LYS 45 -0.377 -8.609 -2.296 341 HZ1 LYS 45 HZ1 LYS 45 -1.334 -10.286 -3.760 342 HZ2 LYS 45 HZ2 LYS 45 0.352 -10.257 -3.895 343 HZ3 LYS 45 HZ3 LYS 45 -0.604 -9.557 -5.103 344 H GLY 46 H GLY 46 -0.030 -3.344 -2.492 345 HA2 GLY 46 HA2 GLY 46 -2.411 -1.870 -3.475 346 HA3 GLY 46 HA3 GLY 46 -1.094 -0.944 -2.767 347 H GLU 47 H GLU 47 -1.713 -0.242 -5.233 348 HA GLU 47 HA GLU 47 0.373 -1.583 -6.891 349 HB2 GLU 47 HB2 GLU 47 -2.174 -1.783 -7.511 350 HB3 GLU 47 HB3 GLU 47 -1.936 -0.162 -8.147 351 HG2 GLU 47 HG2 GLU 47 0.100 -2.104 -8.964 352 HG3 GLU 47 HG3 GLU 47 -1.529 -2.454 -9.537 353 H LEU 48 H LEU 48 1.899 -0.406 -7.778 354 HA LEU 48 HA LEU 48 1.559 2.461 -8.318 355 HB2 LEU 48 HB2 LEU 48 2.144 2.428 -5.887 356 HB3 LEU 48 HB3 LEU 48 3.614 1.549 -6.264 357 HG LEU 48 HG LEU 48 4.349 3.491 -7.661 358 HD11 LEU 48 HD11 LEU 48 3.214 5.647 -7.294 359 HD12 LEU 48 HD12 LEU 48 1.930 4.801 -6.429 360 HD13 LEU 48 HD13 LEU 48 2.201 4.479 -8.142 361 HD21 LEU 48 HD21 LEU 48 3.782 4.046 -4.750 362 HD22 LEU 48 HD22 LEU 48 4.946 4.916 -5.750 363 HD23 LEU 48 HD23 LEU 48 5.189 3.205 -5.402 364 H ASN 49 H ASN 49 2.536 2.820 -10.148 365 HA ASN 49 HA ASN 49 4.020 2.675 -11.913 366 HB2 ASN 49 HB2 ASN 49 5.868 1.232 -9.965 367 HB3 ASN 49 HB3 ASN 49 6.319 1.918 -11.521 368 HD21 ASN 49 HD21 ASN 49 7.325 2.455 -8.821 369 HD22 ASN 49 HD22 ASN 49 7.090 4.221 -8.580 370 H GLY 50 H GLY 50 1.930 0.832 -11.708 371 HA2 GLY 50 HA2 GLY 50 1.251 -1.077 -12.766 372 HA3 GLY 50 HA3 GLY 50 2.793 -1.102 -13.598 373 H LYS 51 H LYS 51 3.255 -1.231 -10.155 374 HA LYS 51 HA LYS 51 3.454 -4.211 -10.393 375 HB2 LYS 51 HB2 LYS 51 5.330 -2.130 -9.466 376 HB3 LYS 51 HB3 LYS 51 5.139 -3.471 -8.345 377 HG2 LYS 51 HG2 LYS 51 7.002 -3.776 -9.930 378 HG3 LYS 51 HG3 LYS 51 5.786 -5.052 -10.031 379 HD2 LYS 51 HD2 LYS 51 4.782 -3.850 -11.967 380 HD3 LYS 51 HD3 LYS 51 6.126 -2.709 -11.904 381 HE2 LYS 51 HE2 LYS 51 7.702 -4.482 -12.349 382 HE3 LYS 51 HE3 LYS 51 6.418 -5.687 -12.273 383 HZ1 LYS 51 HZ1 LYS 51 6.638 -3.517 -14.290 384 HZ2 LYS 51 HZ2 LYS 51 5.397 -4.664 -14.214 385 HZ3 LYS 51 HZ3 LYS 51 6.980 -5.153 -14.554 386 H GLU 52 H GLU 52 2.668 -5.451 -8.796 387 HA GLU 52 HA GLU 52 1.133 -4.036 -6.664 388 HB2 GLU 52 HB2 GLU 52 -0.143 -6.152 -6.455 389 HB3 GLU 52 HB3 GLU 52 -0.300 -5.387 -8.029 390 HG2 GLU 52 HG2 GLU 52 1.273 -6.977 -8.977 391 HG3 GLU 52 HG3 GLU 52 1.501 -7.718 -7.394 392 H GLY 53 H GLY 53 1.475 -4.649 -4.466 393 HA2 GLY 53 HA2 GLY 53 3.129 -6.931 -3.830 394 HA3 GLY 53 HA3 GLY 53 4.068 -5.451 -3.769 395 H VAL 54 H VAL 54 3.962 -6.910 -1.543 396 HA VAL 54 HA VAL 54 1.794 -5.749 0.109 397 HB VAL 54 HB VAL 54 2.497 -7.295 1.863 398 HG11 VAL 54 HG11 VAL 54 2.080 -8.635 -0.802 399 HG12 VAL 54 HG12 VAL 54 0.819 -8.003 0.258 400 HG13 VAL 54 HG13 VAL 54 1.805 -9.369 0.778 401 HG21 VAL 54 HG21 VAL 54 4.183 -9.003 1.462 402 HG22 VAL 54 HG22 VAL 54 4.893 -7.394 1.327 403 HG23 VAL 54 HG23 VAL 54 4.523 -8.321 -0.127 404 H PHE 55 H PHE 55 2.286 -4.944 2.218 405 HA PHE 55 HA PHE 55 4.903 -4.024 2.938 406 HB2 PHE 55 HB2 PHE 55 4.587 -1.610 2.468 407 HB3 PHE 55 HB3 PHE 55 4.594 -2.553 0.980 408 HD1 PHE 55 HD1 PHE 55 2.377 -3.147 -0.080 409 HD2 PHE 55 HD2 PHE 55 2.741 -0.252 3.017 410 HE1 PHE 55 HE1 PHE 55 0.181 -2.227 -0.684 411 HE2 PHE 55 HE2 PHE 55 0.540 0.670 2.416 412 HZ PHE 55 HZ PHE 55 -0.744 -0.321 0.565 413 HA PRO 56 HA PRO 56 2.765 -2.691 6.512 414 HB2 PRO 56 HB2 PRO 56 3.917 -0.457 7.105 415 HB3 PRO 56 HB3 PRO 56 4.281 -1.972 7.918 416 HG2 PRO 56 HG2 PRO 56 5.972 -0.648 6.159 417 HG3 PRO 56 HG3 PRO 56 6.102 -2.363 6.586 418 HD2 PRO 56 HD2 PRO 56 5.020 -1.075 4.160 419 HD3 PRO 56 HD3 PRO 56 5.780 -2.667 4.354 420 H ASP 57 H ASP 57 0.922 -2.069 7.416 421 HA ASP 57 HA ASP 57 -0.357 -0.194 5.513 422 HB2 ASP 57 HB2 ASP 57 -2.363 -1.124 6.124 423 HB3 ASP 57 HB3 ASP 57 -1.328 -2.475 6.557 424 H ASN 58 H ASN 58 1.580 -0.029 8.156 425 HA ASN 58 HA ASN 58 0.119 2.160 9.482 426 HB2 ASN 58 HB2 ASN 58 2.752 0.806 10.080 427 HB3 ASN 58 HB3 ASN 58 2.129 2.163 11.011 428 HD21 ASN 58 HD21 ASN 58 2.768 -0.544 11.864 429 HD22 ASN 58 HD22 ASN 58 1.239 -1.207 12.541 430 H PHE 59 H PHE 59 2.060 1.909 6.758 431 HA PHE 59 HA PHE 59 3.412 4.521 7.281 432 HB2 PHE 59 HB2 PHE 59 3.900 2.359 5.214 433 HB3 PHE 59 HB3 PHE 59 4.677 3.937 5.160 434 HD1 PHE 59 HD1 PHE 59 4.134 1.096 7.507 435 HD2 PHE 59 HD2 PHE 59 6.744 4.173 6.159 436 HE1 PHE 59 HE1 PHE 59 5.891 0.254 9.009 437 HE2 PHE 59 HE2 PHE 59 8.505 3.339 7.662 438 HZ PHE 59 HZ PHE 59 8.081 1.378 9.088 439 H ALA 60 H ALA 60 0.496 3.585 6.201 440 HA ALA 60 HA ALA 60 0.263 5.935 4.451 441 HB1 ALA 60 HB1 ALA 60 0.835 4.160 2.874 442 HB2 ALA 60 HB2 ALA 60 -0.823 4.714 2.642 443 HB3 ALA 60 HB3 ALA 60 -0.512 3.189 3.472 444 H VAL 61 H VAL 61 -1.550 7.023 4.961 445 HA VAL 61 HA VAL 61 -3.514 5.650 6.652 446 HB VAL 61 HB VAL 61 -2.718 7.885 7.288 447 HG11 VAL 61 HG11 VAL 61 -4.159 8.883 4.832 448 HG12 VAL 61 HG12 VAL 61 -2.408 8.811 5.030 449 HG13 VAL 61 HG13 VAL 61 -3.369 9.870 6.060 450 HG21 VAL 61 HG21 VAL 61 -4.884 8.859 7.806 451 HG22 VAL 61 HG22 VAL 61 -4.927 7.109 8.012 452 HG23 VAL 61 HG23 VAL 61 -5.650 7.846 6.582 453 H GLN 62 H GLN 62 -5.313 4.779 5.987 454 HA GLN 62 HA GLN 62 -6.243 5.038 3.236 455 HB2 GLN 62 HB2 GLN 62 -6.380 2.938 4.545 456 HB3 GLN 62 HB3 GLN 62 -7.553 3.718 5.597 457 HG2 GLN 62 HG2 GLN 62 -9.076 3.996 3.716 458 HG3 GLN 62 HG3 GLN 62 -7.894 3.258 2.641 459 HE21 GLN 62 HE21 GLN 62 -8.585 2.187 5.942 460 HE22 GLN 62 HE22 GLN 62 -9.309 0.618 5.458 461 H ILE 63 H ILE 63 -8.015 6.130 2.429 462 HA ILE 63 HA ILE 63 -8.924 8.410 3.888 463 HB ILE 63 HB ILE 63 -10.201 7.063 1.504 464 HG12 ILE 63 HG12 ILE 63 -7.903 7.740 1.031 465 HG13 ILE 63 HG13 ILE 63 -9.032 8.786 0.175 466 HG21 ILE 63 HG21 ILE 63 -11.241 9.264 1.088 467 HG22 ILE 63 HG22 ILE 63 -10.610 9.827 2.636 468 HG23 ILE 63 HG23 ILE 63 -11.787 8.515 2.589 469 HD11 ILE 63 HD11 ILE 63 -8.722 10.502 1.894 470 HD12 ILE 63 HD12 ILE 63 -7.208 10.069 1.100 471 HD13 ILE 63 HD13 ILE 63 -7.563 9.456 2.715 472 H SER 64 H SER 64 -10.484 5.274 3.137 473 HA SER 64 HA SER 64 -12.176 5.669 5.545 474 HB2 SER 64 HB2 SER 64 -13.201 4.881 2.805 475 HB3 SER 64 HB3 SER 64 -14.149 4.807 4.289 476 HG SER 64 HG SER 64 -14.545 6.746 3.190 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -9.454 -2.664 -0.364 2 H2 GLY 1 H2 GLY 1 -9.219 -2.966 1.284 3 H3 GLY 1 H3 GLY 1 -10.045 -1.576 0.788 4 HA2 GLY 1 HA2 GLY 1 -11.833 -2.927 -0.126 5 HA3 GLY 1 HA3 GLY 1 -10.976 -4.368 0.396 6 H ALA 2 H ALA 2 -12.076 -5.266 1.996 7 HA ALA 2 HA ALA 2 -13.124 -5.534 3.990 8 HB1 ALA 2 HB1 ALA 2 -11.874 -2.910 4.813 9 HB2 ALA 2 HB2 ALA 2 -11.062 -4.475 4.866 10 HB3 ALA 2 HB3 ALA 2 -12.474 -4.177 5.882 11 H MET 3 H MET 3 -13.373 -1.916 4.014 12 HA MET 3 HA MET 3 -16.315 -2.360 3.822 13 HB2 MET 3 HB2 MET 3 -14.791 -0.181 5.264 14 HB3 MET 3 HB3 MET 3 -16.536 -0.183 5.052 15 HG2 MET 3 HG2 MET 3 -16.565 -2.395 6.250 16 HG3 MET 3 HG3 MET 3 -14.869 -2.111 6.639 17 HE1 MET 3 HE1 MET 3 -18.398 0.459 8.134 18 HE2 MET 3 HE2 MET 3 -18.564 -1.008 7.170 19 HE3 MET 3 HE3 MET 3 -17.894 0.452 6.444 20 H GLY 4 H GLY 4 -17.019 -1.963 1.796 21 HA2 GLY 4 HA2 GLY 4 -17.727 -0.159 0.335 22 HA3 GLY 4 HA3 GLY 4 -16.238 0.701 0.695 23 H ALA 5 H ALA 5 -16.574 0.748 -1.800 24 HA ALA 5 HA ALA 5 -15.541 -1.745 -3.046 25 HB1 ALA 5 HB1 ALA 5 -17.606 -0.805 -3.953 26 HB2 ALA 5 HB2 ALA 5 -16.309 -0.820 -5.148 27 HB3 ALA 5 HB3 ALA 5 -16.750 0.687 -4.345 28 H LYS 6 H LYS 6 -14.700 1.673 -2.539 29 HA LYS 6 HA LYS 6 -12.139 1.081 -3.939 30 HB2 LYS 6 HB2 LYS 6 -13.701 3.669 -3.973 31 HB3 LYS 6 HB3 LYS 6 -12.069 3.483 -4.601 32 HG2 LYS 6 HG2 LYS 6 -14.521 2.044 -5.602 33 HG3 LYS 6 HG3 LYS 6 -13.724 3.412 -6.385 34 HD2 LYS 6 HD2 LYS 6 -11.752 2.116 -6.795 35 HD3 LYS 6 HD3 LYS 6 -12.356 0.786 -5.806 36 HE2 LYS 6 HE2 LYS 6 -12.641 0.195 -8.106 37 HE3 LYS 6 HE3 LYS 6 -14.231 0.522 -7.423 38 HZ1 LYS 6 HZ1 LYS 6 -14.211 2.693 -8.447 39 HZ2 LYS 6 HZ2 LYS 6 -13.939 1.511 -9.625 40 HZ3 LYS 6 HZ3 LYS 6 -12.649 2.441 -9.049 41 H GLU 7 H GLU 7 -10.335 1.277 -2.675 42 HA GLU 7 HA GLU 7 -10.589 3.211 -0.455 43 HB2 GLU 7 HB2 GLU 7 -9.676 0.348 -0.210 44 HB3 GLU 7 HB3 GLU 7 -9.290 1.564 0.999 45 HG2 GLU 7 HG2 GLU 7 -11.987 1.870 0.747 46 HG3 GLU 7 HG3 GLU 7 -11.790 0.138 0.488 47 H TYR 8 H TYR 8 -8.913 4.572 -0.308 48 HA TYR 8 HA TYR 8 -6.343 3.679 -1.523 49 HB2 TYR 8 HB2 TYR 8 -7.658 6.389 -1.743 50 HB3 TYR 8 HB3 TYR 8 -5.982 6.085 -2.183 51 HD1 TYR 8 HD2 TYR 8 -5.454 4.588 -4.087 52 HD2 TYR 8 HD1 TYR 8 -9.453 5.723 -3.181 53 HE1 TYR 8 HE2 TYR 8 -6.161 3.864 -6.327 54 HE2 TYR 8 HE1 TYR 8 -10.172 4.998 -5.418 55 HH TYR 8 HH TYR 8 -8.292 3.091 -7.430 56 H CYS 9 H CYS 9 -4.384 4.695 -0.648 57 HA CYS 9 HA CYS 9 -4.822 5.892 2.029 58 HB2 CYS 9 HB2 CYS 9 -2.832 3.681 1.511 59 HB3 CYS 9 HB3 CYS 9 -3.165 4.460 3.053 60 HG CYS 9 HG CYS 9 -4.563 1.813 1.747 61 H ARG 10 H ARG 10 -3.247 7.321 2.764 62 HA ARG 10 HA ARG 10 -1.364 8.195 0.636 63 HB2 ARG 10 HB2 ARG 10 -2.774 9.982 1.337 64 HB3 ARG 10 HB3 ARG 10 -2.537 9.599 3.038 65 HG2 ARG 10 HG2 ARG 10 -0.188 10.283 2.854 66 HG3 ARG 10 HG3 ARG 10 -0.451 10.691 1.157 67 HD2 ARG 10 HD2 ARG 10 -1.870 12.480 1.693 68 HD3 ARG 10 HD3 ARG 10 -2.105 11.910 3.344 69 HE ARG 10 HE ARG 10 -0.182 12.997 3.996 70 HH11 ARG 10 HH11 ARG 10 -0.243 12.751 0.460 71 HH12 ARG 10 HH12 ARG 10 1.144 13.764 0.248 72 HH21 ARG 10 HH21 ARG 10 1.639 14.323 3.667 73 HH22 ARG 10 HH22 ARG 10 2.213 14.656 2.068 74 H THR 11 H THR 11 0.803 8.111 0.875 75 HA THR 11 HA THR 11 1.801 6.584 3.134 76 HB THR 11 HB THR 11 4.038 6.902 2.055 77 HG1 THR 11 HG1 THR 11 4.142 7.972 0.100 78 HG21 THR 11 HG21 THR 11 1.782 5.873 0.332 79 HG22 THR 11 HG22 THR 11 2.710 4.956 1.519 80 HG23 THR 11 HG23 THR 11 3.491 5.543 0.051 81 H LEU 12 H LEU 12 2.426 7.307 5.019 82 HA LEU 12 HA LEU 12 2.726 10.190 5.423 83 HB2 LEU 12 HB2 LEU 12 3.061 7.976 7.436 84 HB3 LEU 12 HB3 LEU 12 2.829 9.680 7.778 85 HG LEU 12 HG LEU 12 0.778 7.867 6.502 86 HD11 LEU 12 HD11 LEU 12 1.170 7.327 8.850 87 HD12 LEU 12 HD12 LEU 12 -0.414 8.066 8.617 88 HD13 LEU 12 HD13 LEU 12 0.912 9.016 9.285 89 HD21 LEU 12 HD21 LEU 12 -0.758 9.745 6.840 90 HD22 LEU 12 HD22 LEU 12 0.559 10.172 5.748 91 HD23 LEU 12 HD23 LEU 12 0.583 10.735 7.418 92 H PHE 13 H PHE 13 4.818 7.529 4.754 93 HA PHE 13 HA PHE 13 7.143 9.257 5.086 94 HB2 PHE 13 HB2 PHE 13 6.751 6.815 6.808 95 HB3 PHE 13 HB3 PHE 13 8.352 7.454 6.447 96 HD1 PHE 13 HD1 PHE 13 8.811 9.891 7.062 97 HD2 PHE 13 HD2 PHE 13 5.500 7.681 8.571 98 HE1 PHE 13 HE1 PHE 13 8.593 11.491 8.918 99 HE2 PHE 13 HE2 PHE 13 5.277 9.279 10.429 100 HZ PHE 13 HZ PHE 13 6.825 11.187 10.604 101 HA PRO 14 HA PRO 14 8.535 6.872 1.669 102 HB2 PRO 14 HB2 PRO 14 11.326 6.930 2.614 103 HB3 PRO 14 HB3 PRO 14 10.598 7.731 1.220 104 HG2 PRO 14 HG2 PRO 14 11.420 9.090 3.408 105 HG3 PRO 14 HG3 PRO 14 10.044 9.612 2.418 106 HD2 PRO 14 HD2 PRO 14 10.052 8.167 5.043 107 HD3 PRO 14 HD3 PRO 14 8.998 9.482 4.483 108 H TYR 15 H TYR 15 9.145 4.798 1.032 109 HA TYR 15 HA TYR 15 10.159 2.913 3.109 110 HB2 TYR 15 HB2 TYR 15 7.623 2.933 3.139 111 HB3 TYR 15 HB3 TYR 15 7.668 2.332 1.485 112 HD1 TYR 15 HD1 TYR 15 8.453 1.532 4.993 113 HD2 TYR 15 HD2 TYR 15 8.194 0.044 1.016 114 HE1 TYR 15 HE1 TYR 15 8.639 -0.765 5.847 115 HE2 TYR 15 HE2 TYR 15 8.376 -2.255 1.858 116 HH TYR 15 HH TYR 15 7.936 -3.097 5.033 117 H THR 16 H THR 16 11.606 1.566 2.368 118 HA THR 16 HA THR 16 11.875 1.348 -0.589 119 HB THR 16 HB THR 16 13.971 0.837 1.540 120 HG1 THR 16 HG1 THR 16 13.929 2.983 1.483 121 HG21 THR 16 HG21 THR 16 14.190 0.956 -1.472 122 HG22 THR 16 HG22 THR 16 14.344 -0.490 -0.475 123 HG23 THR 16 HG23 THR 16 15.543 0.797 -0.353 124 H GLY 17 H GLY 17 11.576 -0.625 -1.547 125 HA2 GLY 17 HA2 GLY 17 10.720 -2.828 0.137 126 HA3 GLY 17 HA3 GLY 17 10.874 -2.835 -1.612 127 H THR 18 H THR 18 11.802 -4.508 0.922 128 HA THR 18 HA THR 18 14.680 -4.674 0.357 129 HB THR 18 HB THR 18 14.668 -6.476 2.072 130 HG1 THR 18 HG1 THR 18 12.685 -7.378 2.051 131 HG21 THR 18 HG21 THR 18 14.121 -5.031 3.979 132 HG22 THR 18 HG22 THR 18 13.274 -3.926 2.895 133 HG23 THR 18 HG23 THR 18 15.016 -4.153 2.739 134 H ASN 19 H ASN 19 11.703 -6.306 -0.444 135 HA ASN 19 HA ASN 19 13.233 -8.272 -2.134 136 HB2 ASN 19 HB2 ASN 19 11.170 -9.738 -1.807 137 HB3 ASN 19 HB3 ASN 19 12.215 -9.571 -0.404 138 HD21 ASN 19 HD21 ASN 19 9.143 -9.908 -1.208 139 HD22 ASN 19 HD22 ASN 19 8.354 -8.905 0.058 140 H GLU 20 H GLU 20 12.041 -8.950 -4.061 141 HA GLU 20 HA GLU 20 11.102 -6.694 -5.481 142 HB2 GLU 20 HB2 GLU 20 10.512 -8.306 -7.284 143 HB3 GLU 20 HB3 GLU 20 12.114 -8.595 -6.619 144 HG2 GLU 20 HG2 GLU 20 10.832 -10.290 -5.083 145 HG3 GLU 20 HG3 GLU 20 9.634 -10.226 -6.375 146 H ASP 21 H ASP 21 9.362 -8.607 -3.245 147 HA ASP 21 HA ASP 21 6.763 -7.996 -4.522 148 HB2 ASP 21 HB2 ASP 21 7.281 -9.412 -1.899 149 HB3 ASP 21 HB3 ASP 21 5.772 -9.371 -2.802 150 H GLU 22 H GLU 22 8.906 -6.662 -2.154 151 HA GLU 22 HA GLU 22 6.790 -5.303 -0.670 152 HB2 GLU 22 HB2 GLU 22 9.381 -6.010 -0.097 153 HB3 GLU 22 HB3 GLU 22 9.528 -4.284 -0.381 154 HG2 GLU 22 HG2 GLU 22 7.925 -3.803 1.325 155 HG3 GLU 22 HG3 GLU 22 7.554 -5.513 1.525 156 H LEU 23 H LEU 23 5.677 -4.161 -2.246 157 HA LEU 23 HA LEU 23 6.497 -2.566 -4.244 158 HB2 LEU 23 HB2 LEU 23 4.170 -2.917 -3.045 159 HB3 LEU 23 HB3 LEU 23 4.513 -1.297 -2.466 160 HG LEU 23 HG LEU 23 4.711 -0.506 -4.780 161 HD11 LEU 23 HD11 LEU 23 4.186 -1.902 -6.655 162 HD12 LEU 23 HD12 LEU 23 3.875 -3.274 -5.594 163 HD13 LEU 23 HD13 LEU 23 5.508 -2.632 -5.747 164 HD21 LEU 23 HD21 LEU 23 2.163 -2.014 -4.228 165 HD22 LEU 23 HD22 LEU 23 2.354 -0.722 -5.413 166 HD23 LEU 23 HD23 LEU 23 2.545 -0.377 -3.694 167 H THR 24 H THR 24 8.322 -1.244 -4.319 168 HA THR 24 HA THR 24 8.981 0.372 -1.997 169 HB THR 24 HB THR 24 10.120 0.503 -4.817 170 HG1 THR 24 HG1 THR 24 10.745 -1.445 -4.169 171 HG21 THR 24 HG21 THR 24 11.137 1.574 -2.184 172 HG22 THR 24 HG22 THR 24 10.698 2.504 -3.616 173 HG23 THR 24 HG23 THR 24 12.114 1.454 -3.647 174 H PHE 25 H PHE 25 8.980 2.674 -1.812 175 HA PHE 25 HA PHE 25 7.947 4.393 -3.864 176 HB2 PHE 25 HB2 PHE 25 5.788 4.992 -2.807 177 HB3 PHE 25 HB3 PHE 25 5.820 3.333 -3.387 178 HD1 PHE 25 HD1 PHE 25 6.107 5.419 -0.342 179 HD2 PHE 25 HD2 PHE 25 5.398 1.539 -1.940 180 HE1 PHE 25 HE1 PHE 25 5.413 4.634 1.883 181 HE2 PHE 25 HE2 PHE 25 4.703 0.747 0.283 182 HZ PHE 25 HZ PHE 25 4.710 2.295 2.198 183 H ARG 26 H ARG 26 7.363 6.638 -2.967 184 HA ARG 26 HA ARG 26 9.164 7.185 -0.658 185 HB2 ARG 26 HB2 ARG 26 8.350 8.913 -2.997 186 HB3 ARG 26 HB3 ARG 26 9.207 9.540 -1.598 187 HG2 ARG 26 HG2 ARG 26 11.094 8.110 -2.060 188 HG3 ARG 26 HG3 ARG 26 10.228 7.356 -3.400 189 HD2 ARG 26 HD2 ARG 26 11.830 9.047 -4.172 190 HD3 ARG 26 HD3 ARG 26 10.170 9.467 -4.588 191 HE ARG 26 HE ARG 26 11.259 10.623 -2.104 192 HH11 ARG 26 HH11 ARG 26 10.490 11.072 -5.536 193 HH12 ARG 26 HH12 ARG 26 10.516 12.799 -5.436 194 HH21 ARG 26 HH21 ARG 26 11.283 12.899 -2.025 195 HH22 ARG 26 HH22 ARG 26 10.967 13.836 -3.446 196 H GLU 27 H GLU 27 8.475 9.328 0.586 197 HA GLU 27 HA GLU 27 5.792 8.857 1.509 198 HB2 GLU 27 HB2 GLU 27 7.671 9.684 2.936 199 HB3 GLU 27 HB3 GLU 27 7.647 11.203 2.060 200 HG2 GLU 27 HG2 GLU 27 5.228 10.184 3.504 201 HG3 GLU 27 HG3 GLU 27 6.489 11.093 4.331 202 H GLY 28 H GLY 28 3.939 10.134 1.326 203 HA2 GLY 28 HA2 GLY 28 2.546 11.719 0.329 204 HA3 GLY 28 HA3 GLY 28 3.961 12.530 -0.333 205 H GLU 29 H GLU 29 2.102 9.482 -0.688 206 HA GLU 29 HA GLU 29 1.857 9.860 -3.560 207 HB2 GLU 29 HB2 GLU 29 3.839 7.924 -2.408 208 HB3 GLU 29 HB3 GLU 29 2.904 7.428 -3.811 209 HG2 GLU 29 HG2 GLU 29 4.631 9.888 -3.667 210 HG3 GLU 29 HG3 GLU 29 5.104 8.353 -4.389 211 H ILE 30 H ILE 30 -0.089 8.993 -4.128 212 HA ILE 30 HA ILE 30 -1.433 7.421 -2.049 213 HB ILE 30 HB ILE 30 -2.510 8.460 -4.669 214 HG12 ILE 30 HG12 ILE 30 -1.892 10.270 -3.142 215 HG13 ILE 30 HG13 ILE 30 -3.642 10.154 -3.282 216 HG21 ILE 30 HG21 ILE 30 -4.727 7.989 -3.683 217 HG22 ILE 30 HG22 ILE 30 -3.928 7.210 -2.317 218 HG23 ILE 30 HG23 ILE 30 -3.767 6.532 -3.937 219 HD11 ILE 30 HD11 ILE 30 -3.712 8.953 -1.143 220 HD12 ILE 30 HD12 ILE 30 -3.004 10.561 -0.993 221 HD13 ILE 30 HD13 ILE 30 -1.964 9.137 -1.001 222 H ILE 31 H ILE 31 -1.644 5.316 -2.023 223 HA ILE 31 HA ILE 31 -0.941 3.816 -4.506 224 HB ILE 31 HB ILE 31 -0.914 2.806 -1.656 225 HG12 ILE 31 HG12 ILE 31 1.447 3.600 -3.377 226 HG13 ILE 31 HG13 ILE 31 0.789 4.590 -2.079 227 HG21 ILE 31 HG21 ILE 31 0.364 0.929 -2.606 228 HG22 ILE 31 HG22 ILE 31 0.147 1.612 -4.217 229 HG23 ILE 31 HG23 ILE 31 -1.252 1.054 -3.299 230 HD11 ILE 31 HD11 ILE 31 2.757 3.392 -1.343 231 HD12 ILE 31 HD12 ILE 31 2.010 1.856 -1.780 232 HD13 ILE 31 HD13 ILE 31 1.331 2.827 -0.474 233 H HIS 32 H HIS 32 -2.227 2.343 -5.344 234 HA HIS 32 HA HIS 32 -5.040 2.525 -4.596 235 HB2 HIS 32 HB2 HIS 32 -3.963 0.482 -6.544 236 HB3 HIS 32 HB3 HIS 32 -5.507 1.325 -6.573 237 HD1 HIS 32 HD1 HIS 32 -3.138 1.112 -8.846 238 HD2 HIS 32 HD2 HIS 32 -4.220 4.409 -6.494 239 HE1 HIS 32 HE1 HIS 32 -2.337 3.172 -10.088 240 HE2 HIS 32 HE2 HIS 32 -2.893 5.162 -8.609 241 H LEU 33 H LEU 33 -6.095 1.264 -3.147 242 HA LEU 33 HA LEU 33 -4.554 -0.916 -1.913 243 HB2 LEU 33 HB2 LEU 33 -6.071 0.843 -0.738 244 HB3 LEU 33 HB3 LEU 33 -7.385 -0.211 -1.218 245 HG LEU 33 HG LEU 33 -5.057 -0.988 0.541 246 HD11 LEU 33 HD11 LEU 33 -6.678 -1.069 2.329 247 HD12 LEU 33 HD12 LEU 33 -7.965 -0.594 1.223 248 HD13 LEU 33 HD13 LEU 33 -6.667 0.539 1.604 249 HD21 LEU 33 HD21 LEU 33 -7.462 -2.556 -0.377 250 HD22 LEU 33 HD22 LEU 33 -6.379 -3.058 0.920 251 HD23 LEU 33 HD23 LEU 33 -5.770 -2.901 -0.727 252 H ILE 34 H ILE 34 -4.459 -2.744 -3.023 253 HA ILE 34 HA ILE 34 -6.737 -3.549 -4.642 254 HB ILE 34 HB ILE 34 -4.159 -5.056 -4.171 255 HG12 ILE 34 HG12 ILE 34 -3.666 -2.849 -5.082 256 HG13 ILE 34 HG13 ILE 34 -3.389 -4.081 -6.306 257 HG21 ILE 34 HG21 ILE 34 -5.863 -6.488 -5.075 258 HG22 ILE 34 HG22 ILE 34 -4.677 -6.132 -6.332 259 HG23 ILE 34 HG23 ILE 34 -6.239 -5.311 -6.333 260 HD11 ILE 34 HD11 ILE 34 -5.532 -3.525 -7.341 261 HD12 ILE 34 HD12 ILE 34 -4.461 -2.127 -7.254 262 HD13 ILE 34 HD13 ILE 34 -5.798 -2.285 -6.115 263 H SER 35 H SER 35 -4.924 -4.971 -1.887 264 HA SER 35 HA SER 35 -7.476 -6.174 -0.977 265 HB2 SER 35 HB2 SER 35 -5.022 -7.861 -1.586 266 HB3 SER 35 HB3 SER 35 -6.486 -8.434 -0.788 267 HG SER 35 HG SER 35 -5.998 -7.981 -3.444 268 H LYS 36 H LYS 36 -7.655 -5.832 1.157 269 HA LYS 36 HA LYS 36 -5.291 -5.116 2.681 270 HB2 LYS 36 HB2 LYS 36 -8.223 -5.222 3.243 271 HB3 LYS 36 HB3 LYS 36 -7.125 -5.239 4.613 272 HG2 LYS 36 HG2 LYS 36 -6.116 -3.136 3.742 273 HG3 LYS 36 HG3 LYS 36 -7.380 -3.099 2.513 274 HD2 LYS 36 HD2 LYS 36 -9.088 -3.016 4.243 275 HD3 LYS 36 HD3 LYS 36 -7.850 -3.126 5.495 276 HE2 LYS 36 HE2 LYS 36 -6.890 -0.996 4.655 277 HE3 LYS 36 HE3 LYS 36 -8.235 -0.878 3.524 278 HZ1 LYS 36 HZ1 LYS 36 -8.623 0.432 5.519 279 HZ2 LYS 36 HZ2 LYS 36 -8.479 -0.949 6.484 280 HZ3 LYS 36 HZ3 LYS 36 -9.762 -0.812 5.390 281 H GLU 37 H GLU 37 -6.786 -8.030 1.856 282 HA GLU 37 HA GLU 37 -5.452 -9.433 4.167 283 HB2 GLU 37 HB2 GLU 37 -8.142 -9.514 3.488 284 HB3 GLU 37 HB3 GLU 37 -7.504 -10.921 2.650 285 HG2 GLU 37 HG2 GLU 37 -8.280 -11.575 4.820 286 HG3 GLU 37 HG3 GLU 37 -6.522 -11.699 4.774 287 H THR 38 H THR 38 -3.482 -9.899 3.334 288 HA THR 38 HA THR 38 -3.480 -11.188 0.630 289 HB THR 38 HB THR 38 -1.149 -10.580 0.439 290 HG1 THR 38 HG1 THR 38 0.019 -10.330 2.182 291 HG21 THR 38 HG21 THR 38 -2.762 -8.817 -0.087 292 HG22 THR 38 HG22 THR 38 -1.278 -8.131 0.576 293 HG23 THR 38 HG23 THR 38 -2.716 -8.265 1.588 294 H GLY 39 H GLY 39 -3.546 -12.060 3.843 295 HA2 GLY 39 HA2 GLY 39 -3.336 -14.428 4.386 296 HA3 GLY 39 HA3 GLY 39 -1.967 -14.534 3.290 297 H GLU 40 H GLU 40 -1.624 -11.645 4.825 298 HA GLU 40 HA GLU 40 -0.217 -12.767 7.228 299 HB2 GLU 40 HB2 GLU 40 1.061 -11.755 4.914 300 HB3 GLU 40 HB3 GLU 40 1.130 -10.446 6.085 301 HG2 GLU 40 HG2 GLU 40 3.077 -11.595 6.506 302 HG3 GLU 40 HG3 GLU 40 1.980 -12.264 7.713 303 H ALA 41 H ALA 41 -0.820 -11.763 9.015 304 HA ALA 41 HA ALA 41 -2.720 -9.629 8.966 305 HB1 ALA 41 HB1 ALA 41 -2.556 -11.239 10.808 306 HB2 ALA 41 HB2 ALA 41 -2.462 -9.575 11.384 307 HB3 ALA 41 HB3 ALA 41 -0.998 -10.551 11.265 308 H GLY 42 H GLY 42 -2.579 -7.437 9.317 309 HA2 GLY 42 HA2 GLY 42 -1.538 -5.370 9.519 310 HA3 GLY 42 HA3 GLY 42 -0.084 -6.184 10.073 311 H TRP 43 H TRP 43 -1.283 -7.323 7.032 312 HA TRP 43 HA TRP 43 0.762 -5.641 5.656 313 HB2 TRP 43 HB2 TRP 43 0.057 -8.548 5.353 314 HB3 TRP 43 HB3 TRP 43 0.814 -7.656 4.039 315 HD1 TRP 43 HD1 TRP 43 1.536 -8.971 7.562 316 HE1 TRP 43 HE1 TRP 43 4.100 -8.976 7.962 317 HE3 TRP 43 HE3 TRP 43 2.955 -6.525 3.307 318 HZ2 TRP 43 HZ2 TRP 43 6.391 -8.038 6.588 319 HZ3 TRP 43 HZ3 TRP 43 5.350 -6.117 2.923 320 HH2 TRP 43 HH2 TRP 43 7.032 -6.857 4.531 321 H TRP 44 H TRP 44 0.248 -4.619 3.817 322 HA TRP 44 HA TRP 44 -2.503 -5.112 2.768 323 HB2 TRP 44 HB2 TRP 44 -1.066 -2.504 3.251 324 HB3 TRP 44 HB3 TRP 44 -2.372 -2.623 2.077 325 HD1 TRP 44 HD1 TRP 44 -3.422 -4.878 4.681 326 HE1 TRP 44 HE1 TRP 44 -5.020 -3.769 6.392 327 HE3 TRP 44 HE3 TRP 44 -2.542 0.012 3.465 328 HZ2 TRP 44 HZ2 TRP 44 -5.771 -1.139 7.086 329 HZ3 TRP 44 HZ3 TRP 44 -3.749 1.763 4.703 330 HH2 TRP 44 HH2 TRP 44 -5.331 1.197 6.473 331 H LYS 45 H LYS 45 -2.822 -4.590 0.508 332 HA LYS 45 HA LYS 45 -0.298 -4.796 -1.058 333 HB2 LYS 45 HB2 LYS 45 -1.839 -6.928 -0.799 334 HB3 LYS 45 HB3 LYS 45 -2.757 -6.127 -2.067 335 HG2 LYS 45 HG2 LYS 45 -1.075 -6.348 -3.618 336 HG3 LYS 45 HG3 LYS 45 0.187 -6.458 -2.391 337 HD2 LYS 45 HD2 LYS 45 -0.804 -8.693 -1.747 338 HD3 LYS 45 HD3 LYS 45 -1.795 -8.575 -3.204 339 HE2 LYS 45 HE2 LYS 45 0.190 -8.464 -4.587 340 HE3 LYS 45 HE3 LYS 45 1.220 -8.452 -3.158 341 HZ1 LYS 45 HZ1 LYS 45 1.133 -10.642 -4.160 342 HZ2 LYS 45 HZ2 LYS 45 -0.549 -10.687 -3.999 343 HZ3 LYS 45 HZ3 LYS 45 0.432 -10.677 -2.620 344 H GLY 46 H GLY 46 -0.089 -3.471 -2.781 345 HA2 GLY 46 HA2 GLY 46 -2.532 -2.184 -3.822 346 HA3 GLY 46 HA3 GLY 46 -1.337 -1.126 -3.091 347 H GLU 47 H GLU 47 -1.808 -0.392 -5.504 348 HA GLU 47 HA GLU 47 0.395 -1.598 -7.110 349 HB2 GLU 47 HB2 GLU 47 -1.910 -2.095 -7.983 350 HB3 GLU 47 HB3 GLU 47 -2.117 -0.369 -8.241 351 HG2 GLU 47 HG2 GLU 47 -0.367 -0.324 -9.857 352 HG3 GLU 47 HG3 GLU 47 0.096 -1.983 -9.478 353 H LEU 48 H LEU 48 1.901 -0.292 -7.921 354 HA LEU 48 HA LEU 48 1.397 2.676 -7.981 355 HB2 LEU 48 HB2 LEU 48 2.545 1.710 -5.806 356 HB3 LEU 48 HB3 LEU 48 3.964 1.601 -6.832 357 HG LEU 48 HG LEU 48 3.740 4.032 -7.323 358 HD11 LEU 48 HD11 LEU 48 1.571 3.865 -5.239 359 HD12 LEU 48 HD12 LEU 48 1.390 4.343 -6.927 360 HD13 LEU 48 HD13 LEU 48 2.298 5.364 -5.813 361 HD21 LEU 48 HD21 LEU 48 4.548 4.782 -5.130 362 HD22 LEU 48 HD22 LEU 48 5.279 3.251 -5.613 363 HD23 LEU 48 HD23 LEU 48 3.985 3.271 -4.416 364 H ASN 49 H ASN 49 1.817 3.202 -10.053 365 HA ASN 49 HA ASN 49 2.868 3.307 -12.149 366 HB2 ASN 49 HB2 ASN 49 5.307 2.525 -10.480 367 HB3 ASN 49 HB3 ASN 49 5.347 3.100 -12.144 368 HD21 ASN 49 HD21 ASN 49 4.970 3.926 -8.802 369 HD22 ASN 49 HD22 ASN 49 4.953 5.709 -9.032 370 H GLY 50 H GLY 50 1.414 1.029 -11.651 371 HA2 GLY 50 HA2 GLY 50 1.046 -0.845 -12.962 372 HA3 GLY 50 HA3 GLY 50 2.617 -0.639 -13.704 373 H LYS 51 H LYS 51 3.233 -0.702 -10.365 374 HA LYS 51 HA LYS 51 3.683 -3.641 -10.573 375 HB2 LYS 51 HB2 LYS 51 5.166 -1.431 -9.146 376 HB3 LYS 51 HB3 LYS 51 5.381 -3.121 -8.717 377 HG2 LYS 51 HG2 LYS 51 7.141 -2.599 -10.175 378 HG3 LYS 51 HG3 LYS 51 5.988 -3.526 -11.137 379 HD2 LYS 51 HD2 LYS 51 5.111 -1.469 -12.097 380 HD3 LYS 51 HD3 LYS 51 6.209 -0.516 -11.098 381 HE2 LYS 51 HE2 LYS 51 8.121 -1.571 -12.213 382 HE3 LYS 51 HE3 LYS 51 7.013 -2.503 -13.219 383 HZ1 LYS 51 HZ1 LYS 51 7.241 0.459 -13.178 384 HZ2 LYS 51 HZ2 LYS 51 6.163 -0.428 -14.134 385 HZ3 LYS 51 HZ3 LYS 51 7.829 -0.564 -14.392 386 H GLU 52 H GLU 52 2.876 -4.977 -9.072 387 HA GLU 52 HA GLU 52 1.245 -3.724 -6.912 388 HB2 GLU 52 HB2 GLU 52 0.018 -5.822 -6.805 389 HB3 GLU 52 HB3 GLU 52 -0.012 -5.166 -8.436 390 HG2 GLU 52 HG2 GLU 52 1.505 -6.787 -9.221 391 HG3 GLU 52 HG3 GLU 52 1.946 -7.276 -7.586 392 H GLY 53 H GLY 53 1.571 -4.377 -4.734 393 HA2 GLY 53 HA2 GLY 53 3.267 -6.613 -4.090 394 HA3 GLY 53 HA3 GLY 53 4.182 -5.118 -4.017 395 H VAL 54 H VAL 54 4.060 -6.586 -1.780 396 HA VAL 54 HA VAL 54 1.860 -5.417 -0.177 397 HB VAL 54 HB VAL 54 2.497 -6.969 1.596 398 HG11 VAL 54 HG11 VAL 54 0.830 -7.653 -0.027 399 HG12 VAL 54 HG12 VAL 54 1.786 -9.038 0.499 400 HG13 VAL 54 HG13 VAL 54 2.091 -8.303 -1.075 401 HG21 VAL 54 HG21 VAL 54 4.892 -7.135 1.127 402 HG22 VAL 54 HG22 VAL 54 4.543 -8.037 -0.348 403 HG23 VAL 54 HG23 VAL 54 4.141 -8.727 1.225 404 H PHE 55 H PHE 55 2.390 -4.734 2.026 405 HA PHE 55 HA PHE 55 5.028 -3.753 2.629 406 HB2 PHE 55 HB2 PHE 55 4.537 -1.335 2.262 407 HB3 PHE 55 HB3 PHE 55 4.530 -2.252 0.755 408 HD1 PHE 55 HD1 PHE 55 2.340 -2.955 -0.230 409 HD2 PHE 55 HD2 PHE 55 2.622 -0.161 2.963 410 HE1 PHE 55 HE1 PHE 55 0.037 -2.226 -0.675 411 HE2 PHE 55 HE2 PHE 55 0.316 0.576 2.525 412 HZ PHE 55 HZ PHE 55 -0.983 -0.463 0.709 413 HA PRO 56 HA PRO 56 3.225 -2.629 6.427 414 HB2 PRO 56 HB2 PRO 56 4.242 -0.307 6.912 415 HB3 PRO 56 HB3 PRO 56 4.786 -1.806 7.673 416 HG2 PRO 56 HG2 PRO 56 6.209 -0.379 5.787 417 HG3 PRO 56 HG3 PRO 56 6.472 -2.084 6.181 418 HD2 PRO 56 HD2 PRO 56 5.108 -0.857 3.860 419 HD3 PRO 56 HD3 PRO 56 5.958 -2.405 3.986 420 H ASP 57 H ASP 57 1.470 -2.192 7.590 421 HA ASP 57 HA ASP 57 -0.253 -0.472 5.913 422 HB2 ASP 57 HB2 ASP 57 -2.071 -1.518 6.923 423 HB3 ASP 57 HB3 ASP 57 -0.882 -2.809 6.969 424 H ASN 58 H ASN 58 2.142 0.044 8.014 425 HA ASN 58 HA ASN 58 0.730 1.992 9.726 426 HB2 ASN 58 HB2 ASN 58 3.520 0.824 9.805 427 HB3 ASN 58 HB3 ASN 58 2.941 2.064 10.911 428 HD21 ASN 58 HD21 ASN 58 3.965 -0.585 11.471 429 HD22 ASN 58 HD22 ASN 58 2.648 -1.440 12.346 430 H PHE 59 H PHE 59 2.451 1.838 6.770 431 HA PHE 59 HA PHE 59 3.607 4.555 7.142 432 HB2 PHE 59 HB2 PHE 59 4.141 2.293 5.239 433 HB3 PHE 59 HB3 PHE 59 4.547 3.937 4.761 434 HD1 PHE 59 HD1 PHE 59 5.190 1.332 7.312 435 HD2 PHE 59 HD2 PHE 59 6.488 4.991 5.565 436 HE1 PHE 59 HE1 PHE 59 7.317 1.160 8.538 437 HE2 PHE 59 HE2 PHE 59 8.615 4.824 6.788 438 HZ PHE 59 HZ PHE 59 9.033 2.907 8.276 439 H ALA 60 H ALA 60 0.703 3.294 6.291 440 HA ALA 60 HA ALA 60 0.102 5.617 4.586 441 HB1 ALA 60 HB1 ALA 60 -1.032 4.289 2.898 442 HB2 ALA 60 HB2 ALA 60 -0.554 2.804 3.723 443 HB3 ALA 60 HB3 ALA 60 0.672 3.843 2.995 444 H VAL 61 H VAL 61 -1.707 6.566 5.271 445 HA VAL 61 HA VAL 61 -3.460 5.035 7.121 446 HB VAL 61 HB VAL 61 -2.659 7.289 7.753 447 HG11 VAL 61 HG11 VAL 61 -2.619 8.326 5.533 448 HG12 VAL 61 HG12 VAL 61 -3.534 9.290 6.691 449 HG13 VAL 61 HG13 VAL 61 -4.382 8.307 5.497 450 HG21 VAL 61 HG21 VAL 61 -5.646 7.159 7.358 451 HG22 VAL 61 HG22 VAL 61 -4.788 8.136 8.550 452 HG23 VAL 61 HG23 VAL 61 -4.749 6.377 8.660 453 H GLN 62 H GLN 62 -5.546 4.492 6.690 454 HA GLN 62 HA GLN 62 -6.528 4.742 3.945 455 HB2 GLN 62 HB2 GLN 62 -6.894 2.664 5.122 456 HB3 GLN 62 HB3 GLN 62 -7.712 3.509 6.428 457 HG2 GLN 62 HG2 GLN 62 -9.295 2.369 4.977 458 HG3 GLN 62 HG3 GLN 62 -9.529 4.111 4.932 459 HE21 GLN 62 HE21 GLN 62 -10.639 3.975 2.969 460 HE22 GLN 62 HE22 GLN 62 -9.758 3.674 1.435 461 H ILE 63 H ILE 63 -8.051 6.150 3.174 462 HA ILE 63 HA ILE 63 -8.642 8.491 4.685 463 HB ILE 63 HB ILE 63 -10.106 7.415 2.270 464 HG12 ILE 63 HG12 ILE 63 -7.746 7.762 1.798 465 HG13 ILE 63 HG13 ILE 63 -8.689 9.028 1.020 466 HG21 ILE 63 HG21 ILE 63 -10.109 10.165 3.508 467 HG22 ILE 63 HG22 ILE 63 -11.470 9.050 3.401 468 HG23 ILE 63 HG23 ILE 63 -10.802 9.768 1.936 469 HD11 ILE 63 HD11 ILE 63 -7.122 9.289 3.577 470 HD12 ILE 63 HD12 ILE 63 -8.104 10.559 2.846 471 HD13 ILE 63 HD13 ILE 63 -6.684 9.946 2.000 472 H SER 64 H SER 64 -10.541 5.553 4.058 473 HA SER 64 HA SER 64 -11.962 5.663 6.485 474 HB2 SER 64 HB2 SER 64 -14.260 6.242 5.554 475 HB3 SER 64 HB3 SER 64 -13.154 7.597 5.763 476 HG SER 64 HG SER 64 -14.180 6.478 3.447 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -13.302 -6.213 8.254 2 H2 GLY 1 H2 GLY 1 -14.205 -6.113 6.827 3 H3 GLY 1 H3 GLY 1 -13.350 -4.763 7.383 4 HA2 GLY 1 HA2 GLY 1 -11.250 -5.922 7.041 5 HA3 GLY 1 HA3 GLY 1 -12.146 -7.309 6.441 6 H ALA 2 H ALA 2 -10.608 -6.917 4.614 7 HA ALA 2 HA ALA 2 -11.048 -4.618 2.899 8 HB1 ALA 2 HB1 ALA 2 -8.934 -5.863 2.953 9 HB2 ALA 2 HB2 ALA 2 -9.618 -5.793 1.330 10 HB3 ALA 2 HB3 ALA 2 -9.755 -7.271 2.281 11 H MET 3 H MET 3 -11.927 -4.517 0.838 12 HA MET 3 HA MET 3 -12.931 -6.580 -0.573 13 HB2 MET 3 HB2 MET 3 -14.631 -7.003 1.148 14 HB3 MET 3 HB3 MET 3 -15.217 -5.352 1.010 15 HG2 MET 3 HG2 MET 3 -16.681 -6.950 -0.117 16 HG3 MET 3 HG3 MET 3 -15.990 -5.782 -1.241 17 HE1 MET 3 HE1 MET 3 -17.360 -8.410 -2.337 18 HE2 MET 3 HE2 MET 3 -16.171 -8.888 -3.549 19 HE3 MET 3 HE3 MET 3 -16.575 -7.186 -3.335 20 H GLY 4 H GLY 4 -12.903 -5.755 -2.637 21 HA2 GLY 4 HA2 GLY 4 -12.287 -3.376 -3.548 22 HA3 GLY 4 HA3 GLY 4 -13.607 -4.230 -4.318 23 H ALA 5 H ALA 5 -12.792 -1.593 -1.962 24 HA ALA 5 HA ALA 5 -15.584 -0.643 -2.437 25 HB1 ALA 5 HB1 ALA 5 -15.441 0.481 -0.292 26 HB2 ALA 5 HB2 ALA 5 -13.775 -0.061 -0.097 27 HB3 ALA 5 HB3 ALA 5 -15.089 -1.237 -0.107 28 H LYS 6 H LYS 6 -12.694 -0.091 -3.770 29 HA LYS 6 HA LYS 6 -11.890 1.709 -4.956 30 HB2 LYS 6 HB2 LYS 6 -14.384 3.148 -4.010 31 HB3 LYS 6 HB3 LYS 6 -13.225 3.812 -5.152 32 HG2 LYS 6 HG2 LYS 6 -13.739 2.099 -6.756 33 HG3 LYS 6 HG3 LYS 6 -14.788 1.277 -5.600 34 HD2 LYS 6 HD2 LYS 6 -15.262 4.103 -6.530 35 HD3 LYS 6 HD3 LYS 6 -15.950 2.697 -7.343 36 HE2 LYS 6 HE2 LYS 6 -16.364 3.371 -4.431 37 HE3 LYS 6 HE3 LYS 6 -17.495 3.775 -5.721 38 HZ1 LYS 6 HZ1 LYS 6 -16.679 1.044 -4.880 39 HZ2 LYS 6 HZ2 LYS 6 -17.677 1.382 -6.203 40 HZ3 LYS 6 HZ3 LYS 6 -18.190 1.766 -4.638 41 H GLU 7 H GLU 7 -10.521 1.182 -2.989 42 HA GLU 7 HA GLU 7 -10.445 3.426 -1.044 43 HB2 GLU 7 HB2 GLU 7 -9.056 0.753 -1.064 44 HB3 GLU 7 HB3 GLU 7 -8.901 1.958 0.206 45 HG2 GLU 7 HG2 GLU 7 -11.308 1.787 0.643 46 HG3 GLU 7 HG3 GLU 7 -11.435 0.550 -0.607 47 H TYR 8 H TYR 8 -8.982 4.893 -0.893 48 HA TYR 8 HA TYR 8 -6.455 4.593 -2.449 49 HB2 TYR 8 HB2 TYR 8 -7.864 7.206 -1.848 50 HB3 TYR 8 HB3 TYR 8 -6.472 6.964 -2.897 51 HD1 TYR 8 HD2 TYR 8 -10.110 6.515 -2.578 52 HD2 TYR 8 HD1 TYR 8 -6.740 6.162 -5.150 53 HE1 TYR 8 HE2 TYR 8 -11.616 6.256 -4.503 54 HE2 TYR 8 HE1 TYR 8 -8.235 5.905 -7.083 55 HH TYR 8 HH TYR 8 -10.625 5.130 -7.481 56 H CYS 9 H CYS 9 -4.545 5.760 -1.452 57 HA CYS 9 HA CYS 9 -4.968 6.653 1.291 58 HB2 CYS 9 HB2 CYS 9 -3.256 5.021 2.214 59 HB3 CYS 9 HB3 CYS 9 -4.842 4.364 1.835 60 HG CYS 9 HG CYS 9 -4.009 3.222 -0.599 61 H ARG 10 H ARG 10 -3.317 7.849 2.209 62 HA ARG 10 HA ARG 10 -1.119 8.542 0.323 63 HB2 ARG 10 HB2 ARG 10 -2.649 10.380 1.065 64 HB3 ARG 10 HB3 ARG 10 -2.099 10.114 2.713 65 HG2 ARG 10 HG2 ARG 10 0.213 10.624 1.962 66 HG3 ARG 10 HG3 ARG 10 -0.441 11.029 0.374 67 HD2 ARG 10 HD2 ARG 10 -0.129 13.046 1.668 68 HD3 ARG 10 HD3 ARG 10 -1.849 12.753 1.420 69 HE ARG 10 HE ARG 10 -2.144 12.460 3.693 70 HH11 ARG 10 HH11 ARG 10 1.315 12.416 2.925 71 HH12 ARG 10 HH12 ARG 10 1.806 12.485 4.583 72 HH21 ARG 10 HH21 ARG 10 -1.450 12.556 5.863 73 HH22 ARG 10 HH22 ARG 10 0.238 12.565 6.250 74 H THR 11 H THR 11 0.994 8.247 0.867 75 HA THR 11 HA THR 11 1.518 6.532 3.146 76 HB THR 11 HB THR 11 3.918 6.783 2.449 77 HG1 THR 11 HG1 THR 11 4.424 8.076 0.775 78 HG21 THR 11 HG21 THR 11 2.605 4.953 1.568 79 HG22 THR 11 HG22 THR 11 3.621 5.603 0.280 80 HG23 THR 11 HG23 THR 11 1.905 6.003 0.337 81 H LEU 12 H LEU 12 2.479 6.919 5.073 82 HA LEU 12 HA LEU 12 2.794 9.774 5.822 83 HB2 LEU 12 HB2 LEU 12 2.576 7.304 7.534 84 HB3 LEU 12 HB3 LEU 12 2.736 8.937 8.149 85 HG LEU 12 HG LEU 12 0.404 7.931 6.512 86 HD11 LEU 12 HD11 LEU 12 0.402 6.862 8.664 87 HD12 LEU 12 HD12 LEU 12 -0.834 8.121 8.651 88 HD13 LEU 12 HD13 LEU 12 0.701 8.401 9.474 89 HD21 LEU 12 HD21 LEU 12 0.872 10.542 7.954 90 HD22 LEU 12 HD22 LEU 12 -0.653 10.044 7.224 91 HD23 LEU 12 HD23 LEU 12 0.764 10.308 6.209 92 H PHE 13 H PHE 13 4.619 6.883 5.193 93 HA PHE 13 HA PHE 13 7.079 8.306 5.936 94 HB2 PHE 13 HB2 PHE 13 6.365 5.607 7.111 95 HB3 PHE 13 HB3 PHE 13 7.961 6.344 7.193 96 HD1 PHE 13 HD1 PHE 13 8.160 8.606 8.371 97 HD2 PHE 13 HD2 PHE 13 4.766 6.062 8.742 98 HE1 PHE 13 HE1 PHE 13 7.517 9.770 10.441 99 HE2 PHE 13 HE2 PHE 13 4.118 7.224 10.812 100 HZ PHE 13 HZ PHE 13 5.493 9.082 11.664 101 HA PRO 14 HA PRO 14 8.412 6.327 2.243 102 HB2 PRO 14 HB2 PRO 14 11.190 6.332 3.212 103 HB3 PRO 14 HB3 PRO 14 10.463 7.252 1.894 104 HG2 PRO 14 HG2 PRO 14 11.255 8.399 4.215 105 HG3 PRO 14 HG3 PRO 14 9.894 9.010 3.258 106 HD2 PRO 14 HD2 PRO 14 9.869 7.341 5.743 107 HD3 PRO 14 HD3 PRO 14 8.807 8.687 5.273 108 H TYR 15 H TYR 15 8.580 4.259 1.561 109 HA TYR 15 HA TYR 15 9.773 2.241 3.421 110 HB2 TYR 15 HB2 TYR 15 7.344 2.067 3.590 111 HB3 TYR 15 HB3 TYR 15 7.196 2.012 1.837 112 HD1 TYR 15 HD1 TYR 15 8.452 0.142 4.782 113 HD2 TYR 15 HD2 TYR 15 7.406 -0.029 0.661 114 HE1 TYR 15 HE1 TYR 15 8.613 -2.311 4.848 115 HE2 TYR 15 HE2 TYR 15 7.562 -2.482 0.716 116 HH TYR 15 HH TYR 15 7.609 -4.265 3.499 117 H THR 16 H THR 16 11.234 0.948 2.544 118 HA THR 16 HA THR 16 11.474 1.009 -0.427 119 HB THR 16 HB THR 16 13.611 0.333 1.612 120 HG1 THR 16 HG1 THR 16 13.479 2.484 1.769 121 HG21 THR 16 HG21 THR 16 13.759 0.744 -1.377 122 HG22 THR 16 HG22 THR 16 13.981 -0.781 -0.519 123 HG23 THR 16 HG23 THR 16 15.146 0.526 -0.310 124 H GLY 17 H GLY 17 11.204 -0.850 -1.578 125 HA2 GLY 17 HA2 GLY 17 10.428 -3.231 -0.085 126 HA3 GLY 17 HA3 GLY 17 10.463 -3.035 -1.831 127 H THR 18 H THR 18 11.412 -5.216 -0.018 128 HA THR 18 HA THR 18 14.321 -5.121 -0.662 129 HB THR 18 HB THR 18 14.537 -7.024 0.921 130 HG1 THR 18 HG1 THR 18 12.713 -8.059 1.252 131 HG21 THR 18 HG21 THR 18 13.107 -4.618 2.061 132 HG22 THR 18 HG22 THR 18 14.833 -4.724 1.711 133 HG23 THR 18 HG23 THR 18 14.124 -5.741 2.966 134 H ASN 19 H ASN 19 11.732 -5.945 -2.315 135 HA ASN 19 HA ASN 19 13.050 -8.238 -3.698 136 HB2 ASN 19 HB2 ASN 19 11.112 -8.772 -1.792 137 HB3 ASN 19 HB3 ASN 19 10.135 -8.611 -3.248 138 HD21 ASN 19 HD21 ASN 19 12.536 -10.439 -1.558 139 HD22 ASN 19 HD22 ASN 19 12.568 -11.833 -2.694 140 H GLU 20 H GLU 20 11.892 -8.731 -5.744 141 HA GLU 20 HA GLU 20 11.257 -6.289 -7.129 142 HB2 GLU 20 HB2 GLU 20 11.382 -9.179 -7.874 143 HB3 GLU 20 HB3 GLU 20 10.545 -8.077 -8.955 144 HG2 GLU 20 HG2 GLU 20 13.377 -7.683 -8.024 145 HG3 GLU 20 HG3 GLU 20 12.934 -8.508 -9.516 146 H ASP 21 H ASP 21 9.358 -8.453 -5.269 147 HA ASP 21 HA ASP 21 6.865 -7.741 -6.683 148 HB2 ASP 21 HB2 ASP 21 7.236 -9.526 -4.275 149 HB3 ASP 21 HB3 ASP 21 5.780 -9.367 -5.254 150 H GLU 22 H GLU 22 8.621 -7.193 -3.677 151 HA GLU 22 HA GLU 22 6.487 -5.941 -2.243 152 HB2 GLU 22 HB2 GLU 22 8.841 -6.834 -1.453 153 HB3 GLU 22 HB3 GLU 22 9.358 -5.191 -1.807 154 HG2 GLU 22 HG2 GLU 22 8.538 -4.459 0.112 155 HG3 GLU 22 HG3 GLU 22 6.950 -5.130 -0.255 156 H LEU 23 H LEU 23 5.914 -3.778 -1.983 157 HA LEU 23 HA LEU 23 6.595 -2.107 -4.313 158 HB2 LEU 23 HB2 LEU 23 4.558 -2.033 -2.135 159 HB3 LEU 23 HB3 LEU 23 4.975 -0.520 -2.916 160 HG LEU 23 HG LEU 23 4.108 -2.945 -4.480 161 HD11 LEU 23 HD11 LEU 23 2.390 -0.713 -3.401 162 HD12 LEU 23 HD12 LEU 23 2.309 -2.416 -2.947 163 HD13 LEU 23 HD13 LEU 23 1.881 -1.918 -4.581 164 HD21 LEU 23 HD21 LEU 23 3.564 -1.248 -6.176 165 HD22 LEU 23 HD22 LEU 23 5.277 -1.264 -5.758 166 HD23 LEU 23 HD23 LEU 23 4.225 -0.003 -5.116 167 H THR 24 H THR 24 7.354 0.021 -4.261 168 HA THR 24 HA THR 24 8.811 0.718 -1.750 169 HB THR 24 HB THR 24 9.889 0.989 -4.582 170 HG1 THR 24 HG1 THR 24 10.310 -1.064 -4.053 171 HG21 THR 24 HG21 THR 24 11.082 1.775 -1.921 172 HG22 THR 24 HG22 THR 24 10.640 2.851 -3.245 173 HG23 THR 24 HG23 THR 24 11.976 1.717 -3.440 174 H PHE 25 H PHE 25 8.517 2.833 -1.109 175 HA PHE 25 HA PHE 25 7.808 4.870 -3.065 176 HB2 PHE 25 HB2 PHE 25 5.664 5.440 -1.751 177 HB3 PHE 25 HB3 PHE 25 5.608 4.106 -2.898 178 HD1 PHE 25 HD1 PHE 25 5.745 4.982 0.676 179 HD2 PHE 25 HD2 PHE 25 5.207 1.873 -2.181 180 HE1 PHE 25 HE1 PHE 25 4.931 3.491 2.457 181 HE2 PHE 25 HE2 PHE 25 4.392 0.378 -0.405 182 HZ PHE 25 HZ PHE 25 4.252 1.187 1.916 183 H ARG 26 H ARG 26 7.410 7.026 -2.011 184 HA ARG 26 HA ARG 26 9.005 7.197 0.502 185 HB2 ARG 26 HB2 ARG 26 8.718 9.089 -1.818 186 HB3 ARG 26 HB3 ARG 26 9.341 9.628 -0.265 187 HG2 ARG 26 HG2 ARG 26 11.227 8.230 -0.421 188 HG3 ARG 26 HG3 ARG 26 10.536 7.320 -1.767 189 HD2 ARG 26 HD2 ARG 26 11.148 10.259 -1.939 190 HD3 ARG 26 HD3 ARG 26 12.335 9.020 -2.336 191 HE ARG 26 HE ARG 26 9.900 9.715 -3.846 192 HH11 ARG 26 HH11 ARG 26 12.680 7.554 -3.456 193 HH12 ARG 26 HH12 ARG 26 12.577 6.936 -5.069 194 HH21 ARG 26 HH21 ARG 26 9.798 8.866 -5.959 195 HH22 ARG 26 HH22 ARG 26 10.942 7.679 -6.489 196 H GLU 27 H GLU 27 8.433 9.204 1.896 197 HA GLU 27 HA GLU 27 5.665 8.995 2.547 198 HB2 GLU 27 HB2 GLU 27 7.280 9.577 4.256 199 HB3 GLU 27 HB3 GLU 27 7.767 11.019 3.379 200 HG2 GLU 27 HG2 GLU 27 4.914 10.843 4.118 201 HG3 GLU 27 HG3 GLU 27 6.059 11.033 5.444 202 H GLY 28 H GLY 28 3.909 10.268 2.154 203 HA2 GLY 28 HA2 GLY 28 2.680 11.979 1.124 204 HA3 GLY 28 HA3 GLY 28 4.185 12.765 0.658 205 H GLU 29 H GLU 29 2.205 9.882 -0.066 206 HA GLU 29 HA GLU 29 2.357 10.386 -2.928 207 HB2 GLU 29 HB2 GLU 29 4.519 9.053 -2.068 208 HB3 GLU 29 HB3 GLU 29 3.403 7.700 -2.146 209 HG2 GLU 29 HG2 GLU 29 4.050 9.546 -4.432 210 HG3 GLU 29 HG3 GLU 29 4.745 7.945 -4.186 211 H ILE 30 H ILE 30 0.479 9.637 -3.843 212 HA ILE 30 HA ILE 30 -1.257 8.136 -2.024 213 HB ILE 30 HB ILE 30 -1.907 9.333 -4.715 214 HG12 ILE 30 HG12 ILE 30 -1.329 11.037 -3.047 215 HG13 ILE 30 HG13 ILE 30 -3.043 11.098 -3.444 216 HG21 ILE 30 HG21 ILE 30 -3.714 8.167 -2.601 217 HG22 ILE 30 HG22 ILE 30 -3.410 7.508 -4.209 218 HG23 ILE 30 HG23 ILE 30 -4.262 9.042 -4.032 219 HD11 ILE 30 HD11 ILE 30 -1.835 9.852 -0.985 220 HD12 ILE 30 HD12 ILE 30 -3.554 9.884 -1.382 221 HD13 ILE 30 HD13 ILE 30 -2.692 11.391 -1.068 222 H ILE 31 H ILE 31 -1.532 6.029 -2.108 223 HA ILE 31 HA ILE 31 -0.699 4.605 -4.593 224 HB ILE 31 HB ILE 31 -0.928 3.491 -1.790 225 HG12 ILE 31 HG12 ILE 31 1.582 4.188 -3.330 226 HG13 ILE 31 HG13 ILE 31 0.895 5.187 -2.053 227 HG21 ILE 31 HG21 ILE 31 0.315 1.579 -2.731 228 HG22 ILE 31 HG22 ILE 31 0.212 2.324 -4.326 229 HG23 ILE 31 HG23 ILE 31 -1.257 1.809 -3.498 230 HD11 ILE 31 HD11 ILE 31 2.725 3.855 -1.211 231 HD12 ILE 31 HD12 ILE 31 1.925 2.379 -1.751 232 HD13 ILE 31 HD13 ILE 31 1.207 3.352 -0.468 233 H HIS 32 H HIS 32 -1.996 2.933 -5.394 234 HA HIS 32 HA HIS 32 -4.839 3.359 -4.753 235 HB2 HIS 32 HB2 HIS 32 -3.694 1.390 -6.782 236 HB3 HIS 32 HB3 HIS 32 -5.333 2.032 -6.722 237 HD1 HIS 32 HD1 HIS 32 -1.925 2.714 -8.018 238 HD2 HIS 32 HD2 HIS 32 -5.549 4.775 -7.554 239 HE1 HIS 32 HE1 HIS 32 -1.749 4.804 -9.446 240 HE2 HIS 32 HE2 HIS 32 -3.968 6.020 -9.215 241 H LEU 33 H LEU 33 -5.859 2.236 -3.239 242 HA LEU 33 HA LEU 33 -4.501 -0.055 -2.023 243 HB2 LEU 33 HB2 LEU 33 -5.801 1.778 -0.798 244 HB3 LEU 33 HB3 LEU 33 -7.251 0.965 -1.349 245 HG LEU 33 HG LEU 33 -5.128 -0.389 0.316 246 HD11 LEU 33 HD11 LEU 33 -6.123 1.518 1.520 247 HD12 LEU 33 HD12 LEU 33 -6.550 -0.036 2.235 248 HD13 LEU 33 HD13 LEU 33 -7.723 0.830 1.243 249 HD21 LEU 33 HD21 LEU 33 -7.962 -1.126 -0.408 250 HD22 LEU 33 HD22 LEU 33 -6.983 -1.974 0.787 251 HD23 LEU 33 HD23 LEU 33 -6.487 -1.956 -0.904 252 H ILE 34 H ILE 34 -4.591 -1.977 -2.929 253 HA ILE 34 HA ILE 34 -6.945 -2.656 -4.547 254 HB ILE 34 HB ILE 34 -4.426 -4.272 -4.125 255 HG12 ILE 34 HG12 ILE 34 -3.900 -2.119 -5.160 256 HG13 ILE 34 HG13 ILE 34 -3.713 -3.425 -6.324 257 HG21 ILE 34 HG21 ILE 34 -5.118 -5.379 -6.248 258 HG22 ILE 34 HG22 ILE 34 -6.656 -4.523 -6.133 259 HG23 ILE 34 HG23 ILE 34 -6.198 -5.684 -4.886 260 HD11 ILE 34 HD11 ILE 34 -4.764 -1.490 -7.337 261 HD12 ILE 34 HD12 ILE 34 -6.056 -1.541 -6.139 262 HD13 ILE 34 HD13 ILE 34 -5.879 -2.856 -7.301 263 H SER 35 H SER 35 -5.160 -3.983 -1.722 264 HA SER 35 HA SER 35 -7.733 -5.109 -0.778 265 HB2 SER 35 HB2 SER 35 -5.341 -6.900 -1.369 266 HB3 SER 35 HB3 SER 35 -6.799 -7.395 -0.511 267 HG SER 35 HG SER 35 -6.455 -7.565 -3.036 268 H LYS 36 H LYS 36 -7.880 -4.656 1.300 269 HA LYS 36 HA LYS 36 -5.540 -3.921 2.855 270 HB2 LYS 36 HB2 LYS 36 -8.444 -4.257 3.607 271 HB3 LYS 36 HB3 LYS 36 -7.210 -3.735 4.743 272 HG2 LYS 36 HG2 LYS 36 -6.725 -1.848 3.127 273 HG3 LYS 36 HG3 LYS 36 -8.213 -2.310 2.303 274 HD2 LYS 36 HD2 LYS 36 -8.049 -1.612 5.231 275 HD3 LYS 36 HD3 LYS 36 -8.475 -0.461 3.965 276 HE2 LYS 36 HE2 LYS 36 -10.567 -1.117 4.589 277 HE3 LYS 36 HE3 LYS 36 -10.242 -2.337 3.359 278 HZ1 LYS 36 HZ1 LYS 36 -11.165 -3.202 5.489 279 HZ2 LYS 36 HZ2 LYS 36 -9.722 -2.757 6.250 280 HZ3 LYS 36 HZ3 LYS 36 -9.707 -3.921 5.024 281 H GLU 37 H GLU 37 -7.286 -6.825 2.247 282 HA GLU 37 HA GLU 37 -5.803 -8.193 4.496 283 HB2 GLU 37 HB2 GLU 37 -8.432 -8.215 4.425 284 HB3 GLU 37 HB3 GLU 37 -8.236 -9.340 3.088 285 HG2 GLU 37 HG2 GLU 37 -7.092 -10.904 4.467 286 HG3 GLU 37 HG3 GLU 37 -6.982 -9.745 5.790 287 H THR 38 H THR 38 -3.925 -8.515 3.427 288 HA THR 38 HA THR 38 -4.040 -9.848 0.798 289 HB THR 38 HB THR 38 -1.623 -9.554 0.729 290 HG1 THR 38 HG1 THR 38 -0.593 -9.519 2.571 291 HG21 THR 38 HG21 THR 38 -2.969 -7.072 1.808 292 HG22 THR 38 HG22 THR 38 -3.055 -7.634 0.140 293 HG23 THR 38 HG23 THR 38 -1.510 -7.119 0.818 294 H GLY 39 H GLY 39 -4.446 -10.990 3.833 295 HA2 GLY 39 HA2 GLY 39 -4.529 -13.402 4.141 296 HA3 GLY 39 HA3 GLY 39 -3.080 -13.559 3.163 297 H GLU 40 H GLU 40 -2.431 -10.910 4.885 298 HA GLU 40 HA GLU 40 -1.528 -12.317 7.373 299 HB2 GLU 40 HB2 GLU 40 0.207 -11.749 5.323 300 HB3 GLU 40 HB3 GLU 40 0.280 -10.250 6.236 301 HG2 GLU 40 HG2 GLU 40 1.292 -11.216 8.017 302 HG3 GLU 40 HG3 GLU 40 0.501 -12.771 7.766 303 H ALA 41 H ALA 41 -2.238 -11.279 9.069 304 HA ALA 41 HA ALA 41 -3.737 -8.898 8.948 305 HB1 ALA 41 HB1 ALA 41 -2.285 -10.023 11.339 306 HB2 ALA 41 HB2 ALA 41 -3.887 -10.512 10.784 307 HB3 ALA 41 HB3 ALA 41 -3.619 -8.871 11.374 308 H GLY 42 H GLY 42 -3.350 -6.745 9.271 309 HA2 GLY 42 HA2 GLY 42 -2.082 -4.829 9.664 310 HA3 GLY 42 HA3 GLY 42 -0.728 -5.830 10.160 311 H TRP 43 H TRP 43 -1.792 -6.915 7.119 312 HA TRP 43 HA TRP 43 0.238 -5.173 5.814 313 HB2 TRP 43 HB2 TRP 43 -0.471 -8.071 5.394 314 HB3 TRP 43 HB3 TRP 43 0.376 -7.147 4.161 315 HD1 TRP 43 HD1 TRP 43 0.858 -8.387 7.785 316 HE1 TRP 43 HE1 TRP 43 3.401 -8.574 8.271 317 HE3 TRP 43 HE3 TRP 43 2.597 -6.374 3.424 318 HZ2 TRP 43 HZ2 TRP 43 5.802 -7.925 6.913 319 HZ3 TRP 43 HZ3 TRP 43 5.026 -6.192 3.088 320 HH2 TRP 43 HH2 TRP 43 6.595 -6.952 4.798 321 H TRP 44 H TRP 44 -0.210 -4.168 3.906 322 HA TRP 44 HA TRP 44 -2.947 -4.633 2.773 323 HB2 TRP 44 HB2 TRP 44 -1.489 -2.053 3.343 324 HB3 TRP 44 HB3 TRP 44 -2.678 -2.130 2.050 325 HD1 TRP 44 HD1 TRP 44 -3.757 -4.268 4.885 326 HE1 TRP 44 HE1 TRP 44 -5.582 -3.090 6.297 327 HE3 TRP 44 HE3 TRP 44 -3.277 0.434 2.943 328 HZ2 TRP 44 HZ2 TRP 44 -6.636 -0.476 6.514 329 HZ3 TRP 44 HZ3 TRP 44 -4.735 2.218 3.809 330 HH2 TRP 44 HH2 TRP 44 -6.380 1.770 5.557 331 H LYS 45 H LYS 45 -3.182 -3.950 0.503 332 HA LYS 45 HA LYS 45 -0.639 -4.331 -0.995 333 HB2 LYS 45 HB2 LYS 45 -1.825 -6.459 -0.987 334 HB3 LYS 45 HB3 LYS 45 -3.288 -5.668 -1.556 335 HG2 LYS 45 HG2 LYS 45 -2.219 -5.134 -3.661 336 HG3 LYS 45 HG3 LYS 45 -0.701 -5.829 -3.090 337 HD2 LYS 45 HD2 LYS 45 -1.718 -8.021 -2.950 338 HD3 LYS 45 HD3 LYS 45 -3.289 -7.351 -3.398 339 HE2 LYS 45 HE2 LYS 45 -0.833 -7.238 -5.141 340 HE3 LYS 45 HE3 LYS 45 -2.079 -8.480 -5.266 341 HZ1 LYS 45 HZ1 LYS 45 -2.481 -5.561 -5.657 342 HZ2 LYS 45 HZ2 LYS 45 -3.698 -6.733 -5.739 343 HZ3 LYS 45 HZ3 LYS 45 -2.449 -6.733 -6.876 344 H GLY 46 H GLY 46 -0.356 -3.161 -2.824 345 HA2 GLY 46 HA2 GLY 46 -2.644 -1.681 -3.947 346 HA3 GLY 46 HA3 GLY 46 -1.376 -0.702 -3.227 347 H GLU 47 H GLU 47 -1.664 -0.016 -5.669 348 HA GLU 47 HA GLU 47 0.395 -1.561 -7.178 349 HB2 GLU 47 HB2 GLU 47 -2.255 -1.231 -7.915 350 HB3 GLU 47 HB3 GLU 47 -1.429 0.021 -8.832 351 HG2 GLU 47 HG2 GLU 47 -0.212 -2.674 -8.861 352 HG3 GLU 47 HG3 GLU 47 -1.737 -2.476 -9.722 353 H LEU 48 H LEU 48 2.072 -0.512 -7.970 354 HA LEU 48 HA LEU 48 2.015 2.346 -8.504 355 HB2 LEU 48 HB2 LEU 48 2.388 2.332 -6.037 356 HB3 LEU 48 HB3 LEU 48 3.812 1.339 -6.273 357 HG LEU 48 HG LEU 48 4.835 3.179 -7.593 358 HD11 LEU 48 HD11 LEU 48 2.818 4.272 -8.359 359 HD12 LEU 48 HD12 LEU 48 3.823 5.411 -7.463 360 HD13 LEU 48 HD13 LEU 48 2.395 4.707 -6.703 361 HD21 LEU 48 HD21 LEU 48 5.321 4.628 -5.684 362 HD22 LEU 48 HD22 LEU 48 5.352 2.926 -5.224 363 HD23 LEU 48 HD23 LEU 48 3.962 3.927 -4.803 364 H ASN 49 H ASN 49 3.217 2.671 -10.231 365 HA ASN 49 HA ASN 49 4.859 2.389 -11.840 366 HB2 ASN 49 HB2 ASN 49 6.294 0.875 -9.637 367 HB3 ASN 49 HB3 ASN 49 7.011 1.300 -11.186 368 HD21 ASN 49 HD21 ASN 49 7.838 2.033 -8.477 369 HD22 ASN 49 HD22 ASN 49 7.818 3.831 -8.439 370 H GLY 50 H GLY 50 2.603 0.691 -11.794 371 HA2 GLY 50 HA2 GLY 50 1.894 -1.108 -13.008 372 HA3 GLY 50 HA3 GLY 50 3.505 -1.244 -13.679 373 H LYS 51 H LYS 51 3.606 -1.481 -10.223 374 HA LYS 51 HA LYS 51 3.512 -4.462 -10.498 375 HB2 LYS 51 HB2 LYS 51 5.441 -2.617 -9.095 376 HB3 LYS 51 HB3 LYS 51 5.218 -4.273 -8.549 377 HG2 LYS 51 HG2 LYS 51 6.325 -5.142 -10.298 378 HG3 LYS 51 HG3 LYS 51 5.688 -3.953 -11.435 379 HD2 LYS 51 HD2 LYS 51 7.262 -2.298 -10.649 380 HD3 LYS 51 HD3 LYS 51 7.837 -3.395 -9.391 381 HE2 LYS 51 HE2 LYS 51 9.385 -3.346 -11.271 382 HE3 LYS 51 HE3 LYS 51 8.650 -4.939 -11.106 383 HZ1 LYS 51 HZ1 LYS 51 8.745 -4.186 -13.418 384 HZ2 LYS 51 HZ2 LYS 51 7.775 -2.855 -13.035 385 HZ3 LYS 51 HZ3 LYS 51 7.150 -4.421 -12.906 386 H GLU 52 H GLU 52 2.577 -5.613 -8.902 387 HA GLU 52 HA GLU 52 1.108 -4.031 -6.847 388 HB2 GLU 52 HB2 GLU 52 -0.325 -6.080 -6.630 389 HB3 GLU 52 HB3 GLU 52 -0.443 -5.265 -8.181 390 HG2 GLU 52 HG2 GLU 52 1.067 -6.945 -9.153 391 HG3 GLU 52 HG3 GLU 52 1.130 -7.768 -7.594 392 H GLY 53 H GLY 53 1.330 -4.630 -4.636 393 HA2 GLY 53 HA2 GLY 53 2.782 -7.014 -3.889 394 HA3 GLY 53 HA3 GLY 53 3.837 -5.612 -3.846 395 H VAL 54 H VAL 54 3.634 -6.904 -1.588 396 HA VAL 54 HA VAL 54 1.532 -5.541 -0.011 397 HB VAL 54 HB VAL 54 2.144 -7.035 1.832 398 HG11 VAL 54 HG11 VAL 54 1.250 -9.085 0.851 399 HG12 VAL 54 HG12 VAL 54 1.575 -8.454 -0.762 400 HG13 VAL 54 HG13 VAL 54 0.388 -7.660 0.270 401 HG21 VAL 54 HG21 VAL 54 4.506 -7.376 1.302 402 HG22 VAL 54 HG22 VAL 54 4.060 -8.284 -0.143 403 HG23 VAL 54 HG23 VAL 54 3.664 -8.918 1.454 404 H PHE 55 H PHE 55 2.075 -4.722 2.088 405 HA PHE 55 HA PHE 55 4.759 -3.890 2.705 406 HB2 PHE 55 HB2 PHE 55 4.446 -1.463 2.256 407 HB3 PHE 55 HB3 PHE 55 4.383 -2.408 0.772 408 HD1 PHE 55 HD1 PHE 55 2.274 -2.772 -0.390 409 HD2 PHE 55 HD2 PHE 55 2.490 -0.317 3.075 410 HE1 PHE 55 HE1 PHE 55 0.041 -1.878 -0.889 411 HE2 PHE 55 HE2 PHE 55 0.259 0.589 2.580 412 HZ PHE 55 HZ PHE 55 -0.973 -0.197 0.599 413 HA PRO 56 HA PRO 56 2.961 -2.678 6.404 414 HB2 PRO 56 HB2 PRO 56 4.177 -0.420 6.915 415 HB3 PRO 56 HB3 PRO 56 4.478 -1.911 7.802 416 HG2 PRO 56 HG2 PRO 56 6.229 -0.828 5.992 417 HG3 PRO 56 HG3 PRO 56 6.163 -2.543 6.419 418 HD2 PRO 56 HD2 PRO 56 5.206 -1.165 3.977 419 HD3 PRO 56 HD3 PRO 56 5.799 -2.824 4.186 420 H ASP 57 H ASP 57 1.022 -2.195 7.272 421 HA ASP 57 HA ASP 57 -0.291 -0.310 5.406 422 HB2 ASP 57 HB2 ASP 57 -2.214 -1.471 5.841 423 HB3 ASP 57 HB3 ASP 57 -1.136 -2.716 6.444 424 H ASN 58 H ASN 58 1.326 -0.438 8.334 425 HA ASN 58 HA ASN 58 -0.033 1.862 9.514 426 HB2 ASN 58 HB2 ASN 58 2.043 -0.104 10.316 427 HB3 ASN 58 HB3 ASN 58 2.117 1.483 11.078 428 HD21 ASN 58 HD21 ASN 58 0.278 2.255 12.237 429 HD22 ASN 58 HD22 ASN 58 -0.863 1.069 12.958 430 H PHE 59 H PHE 59 2.028 1.496 6.994 431 HA PHE 59 HA PHE 59 3.716 3.852 7.620 432 HB2 PHE 59 HB2 PHE 59 3.868 1.617 5.613 433 HB3 PHE 59 HB3 PHE 59 4.716 3.128 5.301 434 HD1 PHE 59 HD1 PHE 59 4.215 1.011 8.341 435 HD2 PHE 59 HD2 PHE 59 6.957 2.922 5.706 436 HE1 PHE 59 HE1 PHE 59 6.084 0.249 9.742 437 HE2 PHE 59 HE2 PHE 59 8.835 2.161 7.103 438 HZ PHE 59 HZ PHE 59 8.399 0.819 9.124 439 H ALA 60 H ALA 60 0.687 3.405 6.561 440 HA ALA 60 HA ALA 60 0.775 5.863 4.968 441 HB1 ALA 60 HB1 ALA 60 1.009 4.149 3.235 442 HB2 ALA 60 HB2 ALA 60 -0.566 4.933 3.122 443 HB3 ALA 60 HB3 ALA 60 -0.430 3.326 3.836 444 H VAL 61 H VAL 61 -1.322 6.825 4.640 445 HA VAL 61 HA VAL 61 -3.271 5.916 6.722 446 HB VAL 61 HB VAL 61 -2.106 7.998 7.382 447 HG11 VAL 61 HG11 VAL 61 -1.682 8.932 5.157 448 HG12 VAL 61 HG12 VAL 61 -2.502 10.087 6.205 449 HG13 VAL 61 HG13 VAL 61 -3.408 9.234 4.957 450 HG21 VAL 61 HG21 VAL 61 -4.380 7.530 8.132 451 HG22 VAL 61 HG22 VAL 61 -5.022 8.379 6.726 452 HG23 VAL 61 HG23 VAL 61 -4.107 9.262 7.948 453 H GLN 62 H GLN 62 -5.260 5.481 5.997 454 HA GLN 62 HA GLN 62 -5.891 5.890 3.187 455 HB2 GLN 62 HB2 GLN 62 -6.674 3.884 4.292 456 HB3 GLN 62 HB3 GLN 62 -7.529 4.836 5.499 457 HG2 GLN 62 HG2 GLN 62 -9.250 5.329 4.101 458 HG3 GLN 62 HG3 GLN 62 -8.241 5.272 2.655 459 HE21 GLN 62 HE21 GLN 62 -10.108 3.430 4.970 460 HE22 GLN 62 HE22 GLN 62 -10.165 1.917 4.001 461 H ILE 63 H ILE 63 -7.108 7.467 2.243 462 HA ILE 63 HA ILE 63 -7.554 9.879 3.650 463 HB ILE 63 HB ILE 63 -8.999 8.997 1.155 464 HG12 ILE 63 HG12 ILE 63 -6.612 8.784 0.783 465 HG13 ILE 63 HG13 ILE 63 -7.194 10.214 -0.061 466 HG21 ILE 63 HG21 ILE 63 -8.418 11.738 2.270 467 HG22 ILE 63 HG22 ILE 63 -9.995 10.955 2.175 468 HG23 ILE 63 HG23 ILE 63 -9.149 11.415 0.698 469 HD11 ILE 63 HD11 ILE 63 -6.342 11.616 1.768 470 HD12 ILE 63 HD12 ILE 63 -5.073 10.663 1.000 471 HD13 ILE 63 HD13 ILE 63 -5.720 10.170 2.563 472 H SER 64 H SER 64 -9.725 7.174 2.938 473 HA SER 64 HA SER 64 -11.346 7.790 5.240 474 HB2 SER 64 HB2 SER 64 -12.245 9.509 3.732 475 HB3 SER 64 HB3 SER 64 -12.593 8.273 2.522 476 HG SER 64 HG SER 64 -14.004 8.985 4.735
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