NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
510461 | 2lch | 17612 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -11.308 5.011 29.173 2 H2 MET 1 H2 MET 1 -9.783 4.310 29.031 3 H3 MET 1 H3 MET 1 -11.151 3.456 28.533 4 HA MET 1 HA MET 1 -10.069 5.928 27.331 5 HB2 MET 1 HB2 MET 1 -10.115 3.050 26.339 6 HB3 MET 1 HB3 MET 1 -9.719 4.421 25.305 7 HG2 MET 1 HG2 MET 1 -7.699 3.295 26.099 8 HG3 MET 1 HG3 MET 1 -7.778 4.949 26.711 9 HE1 MET 1 HE1 MET 1 -5.712 3.029 27.999 10 HE2 MET 1 HE2 MET 1 -6.018 3.213 29.726 11 HE3 MET 1 HE3 MET 1 -6.033 4.628 28.672 12 H GLY 2 H GLY 2 -11.584 7.197 26.438 13 HA2 GLY 2 HA2 GLY 2 -14.314 6.282 25.976 14 HA3 GLY 2 HA3 GLY 2 -13.695 7.915 25.771 15 H SER 3 H SER 3 -13.289 4.672 24.305 16 HA SER 3 HA SER 3 -13.826 5.683 21.618 17 HB2 SER 3 HB2 SER 3 -11.688 4.791 20.672 18 HB3 SER 3 HB3 SER 3 -11.394 6.093 21.824 19 HG SER 3 HG SER 3 -10.269 3.793 21.878 20 H HIS 4 H HIS 4 -14.341 4.050 20.113 21 HA HIS 4 HA HIS 4 -15.287 1.544 21.248 22 HB2 HIS 4 HB2 HIS 4 -15.497 2.673 18.426 23 HB3 HIS 4 HB3 HIS 4 -16.249 1.171 18.954 24 HD1 HIS 4 HD1 HIS 4 -18.514 1.349 20.034 25 HD2 HIS 4 HD2 HIS 4 -16.634 5.045 19.729 26 HE1 HIS 4 HE1 HIS 4 -20.251 3.038 20.673 27 HE2 HIS 4 HE2 HIS 4 -19.146 5.267 20.321 28 H GLN 5 H GLN 5 -13.755 0.033 21.583 29 HA GLN 5 HA GLN 5 -11.386 -0.401 20.099 30 HB2 GLN 5 HB2 GLN 5 -11.764 -1.142 22.461 31 HB3 GLN 5 HB3 GLN 5 -12.884 -2.370 21.882 32 HG2 GLN 5 HG2 GLN 5 -11.026 -3.457 20.644 33 HG3 GLN 5 HG3 GLN 5 -9.915 -2.229 21.249 34 HE21 GLN 5 HE21 GLN 5 -9.824 -5.115 21.624 35 HE22 GLN 5 HE22 GLN 5 -9.860 -5.388 23.326 36 H GLU 6 H GLU 6 -14.658 -1.672 19.765 37 HA GLU 6 HA GLU 6 -14.342 -3.796 17.976 38 HB2 GLU 6 HB2 GLU 6 -16.588 -1.743 18.119 39 HB3 GLU 6 HB3 GLU 6 -16.693 -3.271 17.245 40 HG2 GLU 6 HG2 GLU 6 -16.439 -4.502 19.358 41 HG3 GLU 6 HG3 GLU 6 -16.287 -2.982 20.238 42 H TYR 7 H TYR 7 -14.337 -0.308 17.307 43 HA TYR 7 HA TYR 7 -14.385 -0.416 14.468 44 HB2 TYR 7 HB2 TYR 7 -14.858 1.675 15.660 45 HB3 TYR 7 HB3 TYR 7 -13.234 1.701 16.336 46 HD1 TYR 7 HD1 TYR 7 -15.003 1.712 13.006 47 HD2 TYR 7 HD2 TYR 7 -11.565 2.990 15.215 48 HE1 TYR 7 HE1 TYR 7 -14.243 3.027 11.074 49 HE2 TYR 7 HE2 TYR 7 -10.811 4.309 13.276 50 HH TYR 7 HH TYR 7 -12.815 4.897 10.549 51 H ILE 8 H ILE 8 -11.676 -0.149 16.784 52 HA ILE 8 HA ILE 8 -9.517 -0.111 14.980 53 HB ILE 8 HB ILE 8 -9.563 -1.202 17.836 54 HG12 ILE 8 HG12 ILE 8 -10.360 1.133 17.733 55 HG13 ILE 8 HG13 ILE 8 -8.786 1.066 18.513 56 HG21 ILE 8 HG21 ILE 8 -7.527 -1.958 16.692 57 HG22 ILE 8 HG22 ILE 8 -7.125 -0.731 17.893 58 HG23 ILE 8 HG23 ILE 8 -7.166 -0.305 16.181 59 HD11 ILE 8 HD11 ILE 8 -7.736 1.849 16.433 60 HD12 ILE 8 HD12 ILE 8 -8.947 2.974 17.042 61 HD13 ILE 8 HD13 ILE 8 -9.327 1.936 15.670 62 H LYS 9 H LYS 9 -11.123 -2.857 16.549 63 HA LYS 9 HA LYS 9 -9.647 -5.045 15.695 64 HB2 LYS 9 HB2 LYS 9 -11.491 -5.220 17.293 65 HB3 LYS 9 HB3 LYS 9 -12.647 -4.710 16.073 66 HG2 LYS 9 HG2 LYS 9 -12.138 -6.844 14.828 67 HG3 LYS 9 HG3 LYS 9 -11.136 -7.338 16.206 68 HD2 LYS 9 HD2 LYS 9 -13.137 -7.113 17.688 69 HD3 LYS 9 HD3 LYS 9 -14.112 -6.694 16.274 70 HE2 LYS 9 HE2 LYS 9 -13.554 -8.925 15.302 71 HE3 LYS 9 HE3 LYS 9 -12.702 -9.322 16.795 72 HZ1 LYS 9 HZ1 LYS 9 -14.924 -10.220 16.810 73 HZ2 LYS 9 HZ2 LYS 9 -15.591 -8.693 16.543 74 HZ3 LYS 9 HZ3 LYS 9 -14.793 -9.022 17.995 75 H LYS 10 H LYS 10 -12.423 -3.520 14.034 76 HA LYS 10 HA LYS 10 -12.505 -5.132 11.713 77 HB2 LYS 10 HB2 LYS 10 -13.391 -2.240 12.103 78 HB3 LYS 10 HB3 LYS 10 -13.831 -3.234 10.716 79 HG2 LYS 10 HG2 LYS 10 -15.083 -4.752 12.152 80 HG3 LYS 10 HG3 LYS 10 -14.555 -3.875 13.587 81 HD2 LYS 10 HD2 LYS 10 -16.813 -3.196 13.126 82 HD3 LYS 10 HD3 LYS 10 -15.765 -1.839 12.722 83 HE2 LYS 10 HE2 LYS 10 -16.847 -3.791 10.655 84 HE3 LYS 10 HE3 LYS 10 -17.658 -2.289 11.086 85 HZ1 LYS 10 HZ1 LYS 10 -14.996 -2.594 9.803 86 HZ2 LYS 10 HZ2 LYS 10 -15.594 -1.121 10.378 87 HZ3 LYS 10 HZ3 LYS 10 -16.398 -1.929 9.135 88 H VAL 11 H VAL 11 -11.037 -1.942 12.239 89 HA VAL 11 HA VAL 11 -10.038 -1.411 9.680 90 HB VAL 11 HB VAL 11 -9.119 -0.442 12.422 91 HG11 VAL 11 HG11 VAL 11 -7.272 -0.075 10.852 92 HG12 VAL 11 HG12 VAL 11 -8.029 1.463 11.267 93 HG13 VAL 11 HG13 VAL 11 -8.369 0.706 9.709 94 HG21 VAL 11 HG21 VAL 11 -11.448 0.130 11.860 95 HG22 VAL 11 HG22 VAL 11 -10.918 0.858 10.342 96 HG23 VAL 11 HG23 VAL 11 -10.440 1.580 11.880 97 H THR 12 H THR 12 -8.558 -3.190 12.361 98 HA THR 12 HA THR 12 -5.929 -3.487 11.390 99 HB THR 12 HB THR 12 -7.528 -5.416 13.136 100 HG1 THR 12 HG1 THR 12 -7.314 -3.780 14.449 101 HG21 THR 12 HG21 THR 12 -5.346 -6.290 13.912 102 HG22 THR 12 HG22 THR 12 -4.507 -5.239 12.769 103 HG23 THR 12 HG23 THR 12 -5.532 -6.546 12.175 104 H ASP 13 H ASP 13 -8.759 -5.674 11.012 105 HA ASP 13 HA ASP 13 -7.329 -7.492 9.292 106 HB2 ASP 13 HB2 ASP 13 -10.245 -7.331 10.130 107 HB3 ASP 13 HB3 ASP 13 -9.607 -8.614 9.098 108 H GLU 14 H GLU 14 -9.571 -4.832 8.691 109 HA GLU 14 HA GLU 14 -10.004 -5.198 5.920 110 HB2 GLU 14 HB2 GLU 14 -9.911 -2.694 7.640 111 HB3 GLU 14 HB3 GLU 14 -10.321 -2.643 5.927 112 HG2 GLU 14 HG2 GLU 14 -12.290 -4.044 6.323 113 HG3 GLU 14 HG3 GLU 14 -11.857 -4.208 8.030 114 H LEU 15 H LEU 15 -7.293 -3.882 7.715 115 HA LEU 15 HA LEU 15 -5.772 -2.799 5.596 116 HB2 LEU 15 HB2 LEU 15 -5.330 -2.255 7.912 117 HB3 LEU 15 HB3 LEU 15 -4.992 -3.923 8.305 118 HG LEU 15 HG LEU 15 -3.174 -2.523 6.326 119 HD11 LEU 15 HD11 LEU 15 -1.763 -1.652 8.144 120 HD12 LEU 15 HD12 LEU 15 -2.956 -2.174 9.339 121 HD13 LEU 15 HD13 LEU 15 -3.364 -0.910 8.175 122 HD21 LEU 15 HD21 LEU 15 -1.447 -3.980 7.380 123 HD22 LEU 15 HD22 LEU 15 -2.788 -4.907 6.712 124 HD23 LEU 15 HD23 LEU 15 -2.686 -4.647 8.453 125 H LYS 16 H LYS 16 -5.920 -6.140 6.920 126 HA LYS 16 HA LYS 16 -3.858 -7.268 5.295 127 HB2 LYS 16 HB2 LYS 16 -6.241 -8.574 6.663 128 HB3 LYS 16 HB3 LYS 16 -5.112 -9.508 5.700 129 HG2 LYS 16 HG2 LYS 16 -4.584 -9.778 8.025 130 HG3 LYS 16 HG3 LYS 16 -3.275 -8.884 7.249 131 HD2 LYS 16 HD2 LYS 16 -3.806 -6.888 8.350 132 HD3 LYS 16 HD3 LYS 16 -5.484 -7.356 8.624 133 HE2 LYS 16 HE2 LYS 16 -3.070 -8.497 10.074 134 HE3 LYS 16 HE3 LYS 16 -4.229 -7.337 10.732 135 HZ1 LYS 16 HZ1 LYS 16 -4.822 -10.130 9.888 136 HZ2 LYS 16 HZ2 LYS 16 -5.981 -9.021 10.430 137 HZ3 LYS 16 HZ3 LYS 16 -4.764 -9.551 11.475 138 H GLU 17 H GLU 17 -7.383 -7.083 4.845 139 HA GLU 17 HA GLU 17 -7.653 -8.315 2.324 140 HB2 GLU 17 HB2 GLU 17 -9.258 -6.028 3.526 141 HB3 GLU 17 HB3 GLU 17 -9.770 -7.004 2.145 142 HG2 GLU 17 HG2 GLU 17 -9.862 -9.006 3.567 143 HG3 GLU 17 HG3 GLU 17 -9.282 -8.067 4.950 144 H LEU 18 H LEU 18 -6.792 -5.066 3.222 145 HA LEU 18 HA LEU 18 -7.001 -3.919 0.628 146 HB2 LEU 18 HB2 LEU 18 -6.918 -2.892 3.129 147 HB3 LEU 18 HB3 LEU 18 -5.224 -2.706 2.737 148 HG LEU 18 HG LEU 18 -5.689 -1.175 0.940 149 HD11 LEU 18 HD11 LEU 18 -8.619 -1.894 1.258 150 HD12 LEU 18 HD12 LEU 18 -7.562 -2.314 -0.095 151 HD13 LEU 18 HD13 LEU 18 -7.978 -0.627 0.203 152 HD21 LEU 18 HD21 LEU 18 -7.545 -0.501 3.256 153 HD22 LEU 18 HD22 LEU 18 -6.896 0.642 2.076 154 HD23 LEU 18 HD23 LEU 18 -5.810 -0.178 3.192 155 H ILE 19 H ILE 19 -4.277 -5.124 2.573 156 HA ILE 19 HA ILE 19 -2.167 -4.788 0.744 157 HB ILE 19 HB ILE 19 -2.641 -6.829 2.960 158 HG12 ILE 19 HG12 ILE 19 -0.770 -4.417 2.817 159 HG13 ILE 19 HG13 ILE 19 -2.328 -4.447 3.636 160 HG21 ILE 19 HG21 ILE 19 -0.251 -7.484 2.860 161 HG22 ILE 19 HG22 ILE 19 -0.061 -6.552 1.376 162 HG23 ILE 19 HG23 ILE 19 -1.130 -7.954 1.404 163 HD11 ILE 19 HD11 ILE 19 -1.478 -6.091 5.224 164 HD12 ILE 19 HD12 ILE 19 -0.474 -4.643 5.197 165 HD13 ILE 19 HD13 ILE 19 0.080 -6.109 4.391 166 H GLN 20 H GLN 20 -4.495 -7.465 1.103 167 HA GLN 20 HA GLN 20 -3.468 -9.211 -0.859 168 HB2 GLN 20 HB2 GLN 20 -5.191 -9.891 0.816 169 HB3 GLN 20 HB3 GLN 20 -6.376 -8.871 0.008 170 HG2 GLN 20 HG2 GLN 20 -6.744 -11.171 -0.653 171 HG3 GLN 20 HG3 GLN 20 -6.147 -10.268 -2.047 172 HE21 GLN 20 HE21 GLN 20 -5.226 -11.960 -3.158 173 HE22 GLN 20 HE22 GLN 20 -3.904 -12.901 -2.561 174 H ASN 21 H ASN 21 -6.065 -6.764 -1.119 175 HA ASN 21 HA ASN 21 -6.705 -7.081 -3.829 176 HB2 ASN 21 HB2 ASN 21 -6.979 -4.695 -1.962 177 HB3 ASN 21 HB3 ASN 21 -7.535 -4.622 -3.630 178 HD21 ASN 21 HD21 ASN 21 -7.833 -7.506 -1.577 179 HD22 ASN 21 HD22 ASN 21 -9.549 -7.440 -1.471 180 H VAL 22 H VAL 22 -4.396 -4.804 -2.322 181 HA VAL 22 HA VAL 22 -3.537 -3.521 -4.692 182 HB VAL 22 HB VAL 22 -2.209 -3.790 -1.965 183 HG11 VAL 22 HG11 VAL 22 -0.404 -3.439 -3.600 184 HG12 VAL 22 HG12 VAL 22 -0.651 -1.987 -2.633 185 HG13 VAL 22 HG13 VAL 22 -1.268 -2.059 -4.288 186 HG21 VAL 22 HG21 VAL 22 -4.274 -2.454 -2.011 187 HG22 VAL 22 HG22 VAL 22 -3.619 -1.460 -3.316 188 HG23 VAL 22 HG23 VAL 22 -2.872 -1.421 -1.718 189 H ASN 23 H ASN 23 -2.072 -6.301 -2.913 190 HA ASN 23 HA ASN 23 0.129 -6.666 -4.669 191 HB2 ASN 23 HB2 ASN 23 -1.211 -8.558 -2.712 192 HB3 ASN 23 HB3 ASN 23 0.197 -9.038 -3.653 193 HD21 ASN 23 HD21 ASN 23 -0.052 -8.789 -0.772 194 HD22 ASN 23 HD22 ASN 23 1.143 -7.645 -0.280 195 H ASP 24 H ASP 24 -3.192 -7.866 -4.808 196 HA ASP 24 HA ASP 24 -2.841 -9.624 -7.044 197 HB2 ASP 24 HB2 ASP 24 -5.276 -8.269 -5.853 198 HB3 ASP 24 HB3 ASP 24 -5.389 -9.313 -7.261 199 H ASP 25 H ASP 25 -3.750 -6.231 -6.731 200 HA ASP 25 HA ASP 25 -4.185 -5.614 -9.458 201 HB2 ASP 25 HB2 ASP 25 -3.370 -3.950 -7.064 202 HB3 ASP 25 HB3 ASP 25 -3.659 -3.214 -8.641 203 H ILE 26 H ILE 26 -1.267 -5.544 -7.440 204 HA ILE 26 HA ILE 26 0.541 -4.423 -9.294 205 HB ILE 26 HB ILE 26 1.030 -6.198 -6.873 206 HG12 ILE 26 HG12 ILE 26 1.492 -3.205 -7.249 207 HG13 ILE 26 HG13 ILE 26 0.108 -3.909 -6.425 208 HG21 ILE 26 HG21 ILE 26 2.942 -6.533 -8.365 209 HG22 ILE 26 HG22 ILE 26 3.432 -5.571 -6.971 210 HG23 ILE 26 HG23 ILE 26 3.155 -4.786 -8.526 211 HD11 ILE 26 HD11 ILE 26 2.991 -4.047 -5.538 212 HD12 ILE 26 HD12 ILE 26 1.647 -4.859 -4.728 213 HD13 ILE 26 HD13 ILE 26 1.691 -3.096 -4.815 214 H LYS 27 H LYS 27 -0.541 -7.789 -8.764 215 HA LYS 27 HA LYS 27 1.239 -9.166 -10.466 216 HB2 LYS 27 HB2 LYS 27 -1.715 -9.720 -9.955 217 HB3 LYS 27 HB3 LYS 27 -0.626 -10.840 -10.774 218 HG2 LYS 27 HG2 LYS 27 0.704 -11.077 -8.735 219 HG3 LYS 27 HG3 LYS 27 -0.309 -9.887 -7.911 220 HD2 LYS 27 HD2 LYS 27 -2.275 -11.401 -8.186 221 HD3 LYS 27 HD3 LYS 27 -1.231 -12.593 -8.968 222 HE2 LYS 27 HE2 LYS 27 -1.579 -13.213 -6.640 223 HE3 LYS 27 HE3 LYS 27 0.107 -12.749 -6.869 224 HZ1 LYS 27 HZ1 LYS 27 -0.400 -10.582 -5.918 225 HZ2 LYS 27 HZ2 LYS 27 -0.800 -11.823 -4.845 226 HZ3 LYS 27 HZ3 LYS 27 -2.021 -11.028 -5.704 227 H GLU 28 H GLU 28 -1.778 -7.461 -11.173 228 HA GLU 28 HA GLU 28 -1.773 -7.991 -13.989 229 HB2 GLU 28 HB2 GLU 28 -3.371 -5.949 -12.396 230 HB3 GLU 28 HB3 GLU 28 -3.664 -6.388 -14.083 231 HG2 GLU 28 HG2 GLU 28 -3.985 -8.160 -11.634 232 HG3 GLU 28 HG3 GLU 28 -5.257 -7.550 -12.690 233 H VAL 29 H VAL 29 -0.352 -5.440 -12.006 234 HA VAL 29 HA VAL 29 0.323 -3.765 -14.260 235 HB VAL 29 HB VAL 29 1.690 -3.742 -11.538 236 HG11 VAL 29 HG11 VAL 29 2.916 -2.602 -13.349 237 HG12 VAL 29 HG12 VAL 29 2.295 -1.443 -12.193 238 HG13 VAL 29 HG13 VAL 29 1.484 -1.644 -13.737 239 HG21 VAL 29 HG21 VAL 29 -0.734 -2.123 -12.427 240 HG22 VAL 29 HG22 VAL 29 0.181 -1.863 -10.935 241 HG23 VAL 29 HG23 VAL 29 -0.711 -3.370 -11.175 242 H GLU 30 H GLU 30 2.016 -6.376 -12.491 243 HA GLU 30 HA GLU 30 4.519 -6.251 -13.829 244 HB2 GLU 30 HB2 GLU 30 3.018 -8.680 -12.751 245 HB3 GLU 30 HB3 GLU 30 4.727 -8.679 -13.209 246 HG2 GLU 30 HG2 GLU 30 5.262 -7.087 -11.437 247 HG3 GLU 30 HG3 GLU 30 3.560 -6.928 -11.010 248 H LYS 31 H LYS 31 1.399 -7.382 -14.741 249 HA LYS 31 HA LYS 31 2.138 -8.680 -17.202 250 HB2 LYS 31 HB2 LYS 31 0.132 -9.181 -15.660 251 HB3 LYS 31 HB3 LYS 31 -0.609 -7.725 -16.310 252 HG2 LYS 31 HG2 LYS 31 -0.560 -8.700 -18.564 253 HG3 LYS 31 HG3 LYS 31 0.229 -10.144 -17.916 254 HD2 LYS 31 HD2 LYS 31 -2.555 -9.160 -17.151 255 HD3 LYS 31 HD3 LYS 31 -2.215 -10.485 -18.270 256 HE2 LYS 31 HE2 LYS 31 -1.151 -11.763 -16.440 257 HE3 LYS 31 HE3 LYS 31 -1.458 -10.433 -15.319 258 HZ1 LYS 31 HZ1 LYS 31 -3.802 -10.753 -15.585 259 HZ2 LYS 31 HZ2 LYS 31 -3.094 -12.230 -15.163 260 HZ3 LYS 31 HZ3 LYS 31 -3.559 -11.943 -16.761 261 H ASN 32 H ASN 32 0.562 -5.579 -16.289 262 HA ASN 32 HA ASN 32 1.305 -4.333 -18.886 263 HB2 ASN 32 HB2 ASN 32 -1.231 -3.747 -17.278 264 HB3 ASN 32 HB3 ASN 32 -0.756 -2.944 -18.770 265 HD21 ASN 32 HD21 ASN 32 -3.190 -4.352 -18.184 266 HD22 ASN 32 HD22 ASN 32 -3.302 -5.645 -19.324 267 HA PRO 33 HA PRO 33 3.528 -2.172 -15.328 268 HB2 PRO 33 HB2 PRO 33 5.129 -1.237 -17.712 269 HB3 PRO 33 HB3 PRO 33 5.683 -1.760 -16.112 270 HG2 PRO 33 HG2 PRO 33 5.875 -3.425 -18.180 271 HG3 PRO 33 HG3 PRO 33 5.363 -4.038 -16.592 272 HD2 PRO 33 HD2 PRO 33 3.689 -3.464 -19.037 273 HD3 PRO 33 HD3 PRO 33 3.551 -4.788 -17.859 274 H GLU 34 H GLU 34 2.646 -0.711 -18.436 275 HA GLU 34 HA GLU 34 2.612 2.011 -17.388 276 HB2 GLU 34 HB2 GLU 34 1.985 0.886 -20.152 277 HB3 GLU 34 HB3 GLU 34 2.091 2.604 -19.762 278 HG2 GLU 34 HG2 GLU 34 4.458 2.395 -19.245 279 HG3 GLU 34 HG3 GLU 34 4.385 0.641 -19.441 280 H ASP 35 H ASP 35 0.462 -0.216 -16.672 281 HA ASP 35 HA ASP 35 -2.004 0.950 -17.644 282 HB2 ASP 35 HB2 ASP 35 -1.551 -1.562 -17.003 283 HB3 ASP 35 HB3 ASP 35 -1.869 -1.039 -15.352 284 H MET 36 H MET 36 -2.249 2.991 -16.945 285 HA MET 36 HA MET 36 -1.471 3.948 -14.346 286 HB2 MET 36 HB2 MET 36 -3.081 5.352 -16.494 287 HB3 MET 36 HB3 MET 36 -2.252 6.106 -15.159 288 HG2 MET 36 HG2 MET 36 -0.767 4.538 -17.276 289 HG3 MET 36 HG3 MET 36 -1.155 6.242 -17.471 290 HE1 MET 36 HE1 MET 36 0.295 4.146 -14.255 291 HE2 MET 36 HE2 MET 36 1.991 4.569 -14.487 292 HE3 MET 36 HE3 MET 36 1.149 3.602 -15.699 293 H GLU 37 H GLU 37 -4.393 2.799 -15.729 294 HA GLU 37 HA GLU 37 -6.316 3.785 -13.885 295 HB2 GLU 37 HB2 GLU 37 -6.305 1.308 -15.667 296 HB3 GLU 37 HB3 GLU 37 -7.692 1.763 -14.687 297 HG2 GLU 37 HG2 GLU 37 -7.964 2.447 -17.028 298 HG3 GLU 37 HG3 GLU 37 -7.974 3.830 -15.934 299 H TYR 38 H TYR 38 -4.427 0.758 -13.964 300 HA TYR 38 HA TYR 38 -5.367 -0.277 -11.475 301 HB2 TYR 38 HB2 TYR 38 -3.300 -1.073 -13.468 302 HB3 TYR 38 HB3 TYR 38 -2.893 -1.525 -11.816 303 HD1 TYR 38 HD2 TYR 38 -5.330 -2.065 -14.563 304 HD2 TYR 38 HD1 TYR 38 -4.183 -3.179 -10.613 305 HE1 TYR 38 HE2 TYR 38 -6.866 -3.985 -14.654 306 HE2 TYR 38 HE1 TYR 38 -5.711 -5.093 -10.697 307 HH TYR 38 HH TYR 38 -7.711 -5.810 -11.889 308 H TRP 39 H TRP 39 -2.434 1.626 -12.328 309 HA TRP 39 HA TRP 39 -1.415 1.774 -9.677 310 HB2 TRP 39 HB2 TRP 39 -0.928 3.425 -12.167 311 HB3 TRP 39 HB3 TRP 39 -0.235 3.933 -10.632 312 HD1 TRP 39 HD1 TRP 39 0.956 2.274 -13.524 313 HE1 TRP 39 HE1 TRP 39 2.847 0.620 -13.027 314 HE3 TRP 39 HE3 TRP 39 0.296 1.713 -8.463 315 HZ2 TRP 39 HZ2 TRP 39 3.896 -0.774 -10.822 316 HZ3 TRP 39 HZ3 TRP 39 1.790 0.183 -7.251 317 HH2 TRP 39 HH2 TRP 39 3.559 -1.038 -8.411 318 H ASN 40 H ASN 40 -3.866 3.703 -11.328 319 HA ASN 40 HA ASN 40 -4.183 5.789 -9.475 320 HB2 ASN 40 HB2 ASN 40 -5.446 6.218 -11.356 321 HB3 ASN 40 HB3 ASN 40 -5.848 4.531 -11.618 322 HD21 ASN 40 HD21 ASN 40 -7.691 3.699 -10.727 323 HD22 ASN 40 HD22 ASN 40 -8.929 4.675 -10.039 324 H LYS 41 H LYS 41 -5.748 2.576 -9.600 325 HA LYS 41 HA LYS 41 -7.270 2.732 -7.237 326 HB2 LYS 41 HB2 LYS 41 -6.000 0.277 -8.512 327 HB3 LYS 41 HB3 LYS 41 -7.235 0.230 -7.256 328 HG2 LYS 41 HG2 LYS 41 -8.738 1.511 -8.894 329 HG3 LYS 41 HG3 LYS 41 -7.523 1.155 -10.134 330 HD2 LYS 41 HD2 LYS 41 -9.111 -0.857 -8.485 331 HD3 LYS 41 HD3 LYS 41 -9.314 -0.524 -10.206 332 HE2 LYS 41 HE2 LYS 41 -7.179 -1.535 -10.723 333 HE3 LYS 41 HE3 LYS 41 -6.736 -1.619 -9.018 334 HZ1 LYS 41 HZ1 LYS 41 -8.877 -3.166 -10.347 335 HZ2 LYS 41 HZ2 LYS 41 -8.573 -3.176 -8.683 336 HZ3 LYS 41 HZ3 LYS 41 -7.409 -3.758 -9.753 337 H ILE 42 H ILE 42 -4.037 1.282 -7.722 338 HA ILE 42 HA ILE 42 -3.547 0.373 -5.123 339 HB ILE 42 HB ILE 42 -1.612 1.222 -7.322 340 HG12 ILE 42 HG12 ILE 42 -2.510 -1.562 -6.442 341 HG13 ILE 42 HG13 ILE 42 -3.200 -0.688 -7.807 342 HG21 ILE 42 HG21 ILE 42 -0.368 1.321 -5.212 343 HG22 ILE 42 HG22 ILE 42 0.150 -0.082 -6.147 344 HG23 ILE 42 HG23 ILE 42 -0.933 -0.293 -4.771 345 HD11 ILE 42 HD11 ILE 42 -1.611 -2.384 -8.520 346 HD12 ILE 42 HD12 ILE 42 -0.334 -1.626 -7.568 347 HD13 ILE 42 HD13 ILE 42 -1.035 -0.772 -8.946 348 H TYR 43 H TYR 43 -2.692 3.510 -6.596 349 HA TYR 43 HA TYR 43 -1.337 4.740 -4.482 350 HB2 TYR 43 HB2 TYR 43 -1.418 5.695 -6.728 351 HB3 TYR 43 HB3 TYR 43 -3.156 5.922 -6.618 352 HD1 TYR 43 HD2 TYR 43 -0.031 6.950 -4.770 353 HD2 TYR 43 HD1 TYR 43 -3.909 8.101 -6.162 354 HE1 TYR 43 HE2 TYR 43 0.335 9.220 -3.916 355 HE2 TYR 43 HE1 TYR 43 -3.533 10.378 -5.316 356 HH TYR 43 HH TYR 43 -2.174 11.536 -3.681 357 H ARG 44 H ARG 44 -4.828 4.724 -5.184 358 HA ARG 44 HA ARG 44 -5.622 6.336 -2.945 359 HB2 ARG 44 HB2 ARG 44 -7.186 4.626 -4.908 360 HB3 ARG 44 HB3 ARG 44 -7.953 5.646 -3.692 361 HG2 ARG 44 HG2 ARG 44 -7.227 7.644 -4.717 362 HG3 ARG 44 HG3 ARG 44 -5.977 6.825 -5.651 363 HD2 ARG 44 HD2 ARG 44 -7.866 7.549 -7.063 364 HD3 ARG 44 HD3 ARG 44 -7.643 5.797 -7.088 365 HE ARG 44 HE ARG 44 -9.581 6.573 -5.146 366 HH11 ARG 44 HH11 ARG 44 -9.194 6.181 -8.559 367 HH12 ARG 44 HH12 ARG 44 -10.855 5.780 -8.808 368 HH21 ARG 44 HH21 ARG 44 -11.685 6.070 -5.473 369 HH22 ARG 44 HH22 ARG 44 -12.255 5.708 -7.065 370 H LEU 45 H LEU 45 -5.322 2.848 -3.396 371 HA LEU 45 HA LEU 45 -6.785 2.091 -1.020 372 HB2 LEU 45 HB2 LEU 45 -4.832 0.489 -2.724 373 HB3 LEU 45 HB3 LEU 45 -5.833 -0.185 -1.444 374 HG LEU 45 HG LEU 45 -6.883 1.061 -4.021 375 HD11 LEU 45 HD11 LEU 45 -6.745 -1.865 -3.226 376 HD12 LEU 45 HD12 LEU 45 -5.767 -1.063 -4.459 377 HD13 LEU 45 HD13 LEU 45 -7.507 -1.216 -4.684 378 HD21 LEU 45 HD21 LEU 45 -9.091 0.218 -3.332 379 HD22 LEU 45 HD22 LEU 45 -8.460 1.386 -2.176 380 HD23 LEU 45 HD23 LEU 45 -8.412 -0.337 -1.798 381 H VAL 46 H VAL 46 -3.343 2.357 -1.890 382 HA VAL 46 HA VAL 46 -2.208 1.814 0.652 383 HB VAL 46 HB VAL 46 -1.154 3.363 -1.750 384 HG11 VAL 46 HG11 VAL 46 0.371 2.648 0.782 385 HG12 VAL 46 HG12 VAL 46 -0.001 4.275 0.210 386 HG13 VAL 46 HG13 VAL 46 1.103 3.253 -0.702 387 HG21 VAL 46 HG21 VAL 46 0.267 1.353 -2.081 388 HG22 VAL 46 HG22 VAL 46 -1.447 0.936 -2.107 389 HG23 VAL 46 HG23 VAL 46 -0.478 0.592 -0.672 390 H HIS 47 H HIS 47 -3.417 4.812 -0.812 391 HA HIS 47 HA HIS 47 -2.739 6.709 1.127 392 HB2 HIS 47 HB2 HIS 47 -3.768 7.432 -0.931 393 HB3 HIS 47 HB3 HIS 47 -5.200 6.457 -0.646 394 HD1 HIS 47 HD1 HIS 47 -6.957 7.393 1.046 395 HD2 HIS 47 HD2 HIS 47 -3.770 9.959 0.309 396 HE1 HIS 47 HE1 HIS 47 -7.678 9.624 1.929 397 HE2 HIS 47 HE2 HIS 47 -5.703 11.138 1.558 398 H THR 48 H THR 48 -5.568 4.521 1.011 399 HA THR 48 HA THR 48 -6.788 5.319 3.434 400 HB THR 48 HB THR 48 -6.952 2.609 2.040 401 HG1 THR 48 HG1 THR 48 -8.813 3.541 1.065 402 HG21 THR 48 HG21 THR 48 -8.847 3.872 4.070 403 HG22 THR 48 HG22 THR 48 -7.818 2.465 4.354 404 HG23 THR 48 HG23 THR 48 -9.143 2.368 3.192 405 H MET 49 H MET 49 -4.378 2.729 2.766 406 HA MET 49 HA MET 49 -4.108 1.644 5.367 407 HB2 MET 49 HB2 MET 49 -1.863 1.969 3.334 408 HB3 MET 49 HB3 MET 49 -1.893 0.833 4.679 409 HG2 MET 49 HG2 MET 49 -3.701 -0.394 3.613 410 HG3 MET 49 HG3 MET 49 -3.742 0.780 2.293 411 HE1 MET 49 HE1 MET 49 -2.153 -2.188 0.399 412 HE2 MET 49 HE2 MET 49 -3.428 -0.968 0.436 413 HE3 MET 49 HE3 MET 49 -3.435 -2.288 1.606 414 H LYS 50 H LYS 50 -2.448 4.328 3.796 415 HA LYS 50 HA LYS 50 -0.541 4.989 5.746 416 HB2 LYS 50 HB2 LYS 50 -0.480 5.793 3.391 417 HB3 LYS 50 HB3 LYS 50 -1.897 6.789 3.694 418 HG2 LYS 50 HG2 LYS 50 -0.553 8.070 5.402 419 HG3 LYS 50 HG3 LYS 50 0.865 7.139 4.913 420 HD2 LYS 50 HD2 LYS 50 0.860 9.316 3.785 421 HD3 LYS 50 HD3 LYS 50 0.631 8.030 2.596 422 HE2 LYS 50 HE2 LYS 50 -0.890 9.860 2.093 423 HE3 LYS 50 HE3 LYS 50 -1.836 8.480 2.647 424 HZ1 LYS 50 HZ1 LYS 50 -1.155 10.933 4.173 425 HZ2 LYS 50 HZ2 LYS 50 -1.826 9.556 4.884 426 HZ3 LYS 50 HZ3 LYS 50 -2.691 10.392 3.701 427 H GLU 51 H GLU 51 -3.707 6.475 5.061 428 HA GLU 51 HA GLU 51 -3.947 8.244 7.163 429 HB2 GLU 51 HB2 GLU 51 -5.769 6.948 5.238 430 HB3 GLU 51 HB3 GLU 51 -6.577 7.233 6.763 431 HG2 GLU 51 HG2 GLU 51 -6.911 9.062 5.136 432 HG3 GLU 51 HG3 GLU 51 -6.175 9.596 6.651 433 H ILE 52 H ILE 52 -4.852 4.789 7.143 434 HA ILE 52 HA ILE 52 -5.917 4.514 9.731 435 HB ILE 52 HB ILE 52 -4.439 2.566 7.907 436 HG12 ILE 52 HG12 ILE 52 -7.382 2.656 8.710 437 HG13 ILE 52 HG13 ILE 52 -6.731 3.354 7.231 438 HG21 ILE 52 HG21 ILE 52 -3.978 1.722 10.145 439 HG22 ILE 52 HG22 ILE 52 -5.147 0.667 9.353 440 HG23 ILE 52 HG23 ILE 52 -5.687 1.819 10.575 441 HD11 ILE 52 HD11 ILE 52 -6.694 0.420 7.954 442 HD12 ILE 52 HD12 ILE 52 -6.082 1.130 6.455 443 HD13 ILE 52 HD13 ILE 52 -7.803 1.207 6.832 444 H THR 53 H THR 53 -2.503 3.868 8.721 445 HA THR 53 HA THR 53 -1.627 3.329 11.386 446 HB THR 53 HB THR 53 -0.422 2.264 9.617 447 HG1 THR 53 HG1 THR 53 1.117 2.473 11.018 448 HG21 THR 53 HG21 THR 53 0.997 3.474 8.012 449 HG22 THR 53 HG22 THR 53 0.385 5.014 8.625 450 HG23 THR 53 HG23 THR 53 -0.706 3.893 7.803 451 H GLU 54 H GLU 54 -1.683 6.315 9.481 452 HA GLU 54 HA GLU 54 -0.102 7.928 11.228 453 HB2 GLU 54 HB2 GLU 54 -2.297 8.691 9.259 454 HB3 GLU 54 HB3 GLU 54 -1.341 9.878 10.141 455 HG2 GLU 54 HG2 GLU 54 0.696 9.061 9.055 456 HG3 GLU 54 HG3 GLU 54 -0.227 7.830 8.200 457 H THR 55 H THR 55 -3.585 7.178 11.103 458 HA THR 55 HA THR 55 -4.311 8.840 13.349 459 HB THR 55 HB THR 55 -6.532 7.674 13.247 460 HG1 THR 55 HG1 THR 55 -5.565 6.310 10.976 461 HG21 THR 55 HG21 THR 55 -6.177 9.685 11.873 462 HG22 THR 55 HG22 THR 55 -7.226 8.534 11.041 463 HG23 THR 55 HG23 THR 55 -5.533 8.685 10.566 464 H MET 56 H MET 56 -3.142 5.554 13.018 465 HA MET 56 HA MET 56 -3.613 4.849 15.804 466 HB2 MET 56 HB2 MET 56 -1.943 3.530 13.623 467 HB3 MET 56 HB3 MET 56 -2.039 2.907 15.265 468 HG2 MET 56 HG2 MET 56 -4.495 2.613 14.979 469 HG3 MET 56 HG3 MET 56 -4.331 3.149 13.302 470 HE1 MET 56 HE1 MET 56 -5.582 0.284 14.351 471 HE2 MET 56 HE2 MET 56 -4.941 -0.793 13.112 472 HE3 MET 56 HE3 MET 56 -5.591 0.782 12.658 473 H GLY 57 H GLY 57 -1.208 6.630 14.061 474 HA2 GLY 57 HA2 GLY 57 0.303 8.122 15.098 475 HA3 GLY 57 HA3 GLY 57 0.286 7.139 16.549 476 H PHE 58 H PHE 58 0.697 5.094 13.915 477 HA PHE 58 HA PHE 58 3.477 4.585 14.554 478 HB2 PHE 58 HB2 PHE 58 1.451 3.264 12.736 479 HB3 PHE 58 HB3 PHE 58 3.131 2.762 12.721 480 HD1 PHE 58 HD2 PHE 58 4.150 1.818 14.836 481 HD2 PHE 58 HD1 PHE 58 -0.044 2.554 14.464 482 HE1 PHE 58 HE2 PHE 58 3.717 0.351 16.760 483 HE2 PHE 58 HE1 PHE 58 -0.474 1.086 16.391 484 HZ PHE 58 HZ PHE 58 1.411 -0.011 17.538 485 H SER 59 H SER 59 4.712 6.288 13.824 486 HA SER 59 HA SER 59 4.545 7.461 11.226 487 HB2 SER 59 HB2 SER 59 6.884 7.538 13.177 488 HB3 SER 59 HB3 SER 59 6.616 8.631 11.821 489 HG SER 59 HG SER 59 5.941 9.389 13.965 490 H SER 60 H SER 60 6.535 4.842 12.573 491 HA SER 60 HA SER 60 8.390 4.538 10.448 492 HB2 SER 60 HB2 SER 60 8.797 3.493 12.634 493 HB3 SER 60 HB3 SER 60 7.393 2.449 12.431 494 HG SER 60 HG SER 60 8.544 1.153 11.218 495 H VAL 61 H VAL 61 5.312 2.832 11.100 496 HA VAL 61 HA VAL 61 5.263 1.254 8.744 497 HB VAL 61 HB VAL 61 2.789 2.263 10.214 498 HG11 VAL 61 HG11 VAL 61 3.234 -0.281 8.593 499 HG12 VAL 61 HG12 VAL 61 2.309 1.133 8.076 500 HG13 VAL 61 HG13 VAL 61 1.742 0.157 9.431 501 HG21 VAL 61 HG21 VAL 61 4.330 1.321 11.896 502 HG22 VAL 61 HG22 VAL 61 4.449 -0.173 10.972 503 HG23 VAL 61 HG23 VAL 61 2.912 0.293 11.691 504 H ALA 62 H ALA 62 3.728 4.389 9.549 505 HA ALA 62 HA ALA 62 2.426 4.972 7.154 506 HB1 ALA 62 HB1 ALA 62 2.061 6.277 9.198 507 HB2 ALA 62 HB2 ALA 62 2.465 7.337 7.842 508 HB3 ALA 62 HB3 ALA 62 3.681 6.968 9.074 509 H LYS 63 H LYS 63 5.835 5.450 7.979 510 HA LYS 63 HA LYS 63 6.662 7.023 5.803 511 HB2 LYS 63 HB2 LYS 63 8.097 6.616 7.760 512 HB3 LYS 63 HB3 LYS 63 8.223 4.906 7.350 513 HG2 LYS 63 HG2 LYS 63 9.415 5.506 5.255 514 HG3 LYS 63 HG3 LYS 63 9.283 7.217 5.682 515 HD2 LYS 63 HD2 LYS 63 10.681 6.844 7.676 516 HD3 LYS 63 HD3 LYS 63 10.767 5.117 7.313 517 HE2 LYS 63 HE2 LYS 63 11.953 5.643 5.188 518 HE3 LYS 63 HE3 LYS 63 11.892 7.360 5.591 519 HZ1 LYS 63 HZ1 LYS 63 14.015 6.377 6.144 520 HZ2 LYS 63 HZ2 LYS 63 13.265 5.269 7.179 521 HZ3 LYS 63 HZ3 LYS 63 13.225 6.919 7.536 522 H VAL 64 H VAL 64 6.483 3.465 6.128 523 HA VAL 64 HA VAL 64 7.552 2.731 3.624 524 HB VAL 64 HB VAL 64 5.427 1.216 5.212 525 HG11 VAL 64 HG11 VAL 64 5.686 0.343 2.912 526 HG12 VAL 64 HG12 VAL 64 6.296 -0.813 4.097 527 HG13 VAL 64 HG13 VAL 64 7.426 0.171 3.162 528 HG21 VAL 64 HG21 VAL 64 7.293 -0.020 6.275 529 HG22 VAL 64 HG22 VAL 64 7.371 1.704 6.651 530 HG23 VAL 64 HG23 VAL 64 8.459 1.016 5.442 531 H LEU 65 H LEU 65 4.166 3.347 4.574 532 HA LEU 65 HA LEU 65 3.036 2.886 1.969 533 HB2 LEU 65 HB2 LEU 65 1.921 4.274 4.440 534 HB3 LEU 65 HB3 LEU 65 0.993 4.065 2.969 535 HG LEU 65 HG LEU 65 0.316 2.382 4.571 536 HD11 LEU 65 HD11 LEU 65 0.667 0.320 3.296 537 HD12 LEU 65 HD12 LEU 65 1.975 1.085 2.390 538 HD13 LEU 65 HD13 LEU 65 0.321 1.682 2.231 539 HD21 LEU 65 HD21 LEU 65 3.216 1.528 4.710 540 HD22 LEU 65 HD22 LEU 65 1.854 0.657 5.440 541 HD23 LEU 65 HD23 LEU 65 2.262 2.281 5.992 542 H HIS 66 H HIS 66 4.355 5.686 3.613 543 HA HIS 66 HA HIS 66 3.329 7.725 1.903 544 HB2 HIS 66 HB2 HIS 66 4.241 8.034 4.260 545 HB3 HIS 66 HB3 HIS 66 5.860 7.864 3.599 546 HD1 HIS 66 HD1 HIS 66 6.880 9.931 2.525 547 HD2 HIS 66 HD2 HIS 66 2.852 10.400 3.437 548 HE1 HIS 66 HE1 HIS 66 6.392 12.358 2.159 549 HE2 HIS 66 HE2 HIS 66 4.032 12.651 2.951 550 H THR 67 H THR 67 6.150 5.580 1.754 551 HA THR 67 HA THR 67 7.541 7.006 -0.341 552 HB THR 67 HB THR 67 8.929 5.054 -0.725 553 HG1 THR 67 HG1 THR 67 7.420 3.444 1.037 554 HG21 THR 67 HG21 THR 67 8.342 5.199 2.237 555 HG22 THR 67 HG22 THR 67 9.459 6.240 1.354 556 HG23 THR 67 HG23 THR 67 9.789 4.512 1.503 557 H ILE 68 H ILE 68 5.065 4.494 -0.270 558 HA ILE 68 HA ILE 68 5.089 3.802 -3.035 559 HB ILE 68 HB ILE 68 2.624 3.584 -1.260 560 HG12 ILE 68 HG12 ILE 68 4.380 2.623 0.103 561 HG13 ILE 68 HG13 ILE 68 3.435 1.300 -0.564 562 HG21 ILE 68 HG21 ILE 68 2.114 1.586 -2.620 563 HG22 ILE 68 HG22 ILE 68 3.580 1.847 -3.570 564 HG23 ILE 68 HG23 ILE 68 2.270 3.030 -3.624 565 HD11 ILE 68 HD11 ILE 68 5.759 0.767 -0.580 566 HD12 ILE 68 HD12 ILE 68 6.148 2.231 -1.481 567 HD13 ILE 68 HD13 ILE 68 5.202 0.942 -2.246 568 H MET 69 H MET 69 3.179 6.114 -1.134 569 HA MET 69 HA MET 69 1.358 7.084 -3.001 570 HB2 MET 69 HB2 MET 69 2.834 8.619 -0.823 571 HB3 MET 69 HB3 MET 69 1.395 9.201 -1.654 572 HG2 MET 69 HG2 MET 69 1.408 6.624 -0.102 573 HG3 MET 69 HG3 MET 69 1.082 8.181 0.653 574 HE1 MET 69 HE1 MET 69 -2.232 9.281 -1.066 575 HE2 MET 69 HE2 MET 69 -0.612 9.713 -1.613 576 HE3 MET 69 HE3 MET 69 -0.980 9.678 0.113 577 H ASN 70 H ASN 70 4.604 8.382 -2.287 578 HA ASN 70 HA ASN 70 4.696 10.378 -4.298 579 HB2 ASN 70 HB2 ASN 70 6.174 10.311 -2.291 580 HB3 ASN 70 HB3 ASN 70 6.986 8.888 -2.945 581 HD21 ASN 70 HD21 ASN 70 6.026 11.760 -4.827 582 HD22 ASN 70 HD22 ASN 70 7.637 12.244 -5.204 583 H LEU 71 H LEU 71 5.737 7.024 -4.229 584 HA LEU 71 HA LEU 71 7.287 6.887 -6.569 585 HB2 LEU 71 HB2 LEU 71 7.080 5.299 -4.523 586 HB3 LEU 71 HB3 LEU 71 5.698 4.596 -5.336 587 HG LEU 71 HG LEU 71 8.530 4.622 -6.447 588 HD11 LEU 71 HD11 LEU 71 8.429 3.271 -4.388 589 HD12 LEU 71 HD12 LEU 71 8.665 2.249 -5.803 590 HD13 LEU 71 HD13 LEU 71 7.072 2.346 -5.044 591 HD21 LEU 71 HD21 LEU 71 6.881 4.425 -8.221 592 HD22 LEU 71 HD22 LEU 71 6.052 3.125 -7.363 593 HD23 LEU 71 HD23 LEU 71 7.683 2.872 -7.996 594 H VAL 72 H VAL 72 3.991 5.702 -6.031 595 HA VAL 72 HA VAL 72 3.352 5.050 -8.693 596 HB VAL 72 HB VAL 72 1.488 5.526 -6.328 597 HG11 VAL 72 HG11 VAL 72 0.998 4.047 -8.942 598 HG12 VAL 72 HG12 VAL 72 0.256 5.575 -8.455 599 HG13 VAL 72 HG13 VAL 72 -0.118 4.094 -7.572 600 HG21 VAL 72 HG21 VAL 72 2.749 2.936 -7.333 601 HG22 VAL 72 HG22 VAL 72 1.579 3.065 -6.016 602 HG23 VAL 72 HG23 VAL 72 3.182 3.786 -5.845 603 H ASP 73 H ASP 73 2.721 7.997 -6.773 604 HA ASP 73 HA ASP 73 1.057 9.442 -8.480 605 HB2 ASP 73 HB2 ASP 73 1.760 10.205 -6.218 606 HB3 ASP 73 HB3 ASP 73 3.380 10.520 -6.817 607 H LYS 74 H LYS 74 4.578 9.055 -8.590 608 HA LYS 74 HA LYS 74 5.034 10.771 -10.846 609 HB2 LYS 74 HB2 LYS 74 6.781 8.772 -9.398 610 HB3 LYS 74 HB3 LYS 74 7.357 9.795 -10.720 611 HG2 LYS 74 HG2 LYS 74 6.799 11.814 -9.424 612 HG3 LYS 74 HG3 LYS 74 6.164 10.814 -8.115 613 HD2 LYS 74 HD2 LYS 74 8.383 11.606 -7.551 614 HD3 LYS 74 HD3 LYS 74 8.407 9.857 -7.766 615 HE2 LYS 74 HE2 LYS 74 9.446 10.092 -9.956 616 HE3 LYS 74 HE3 LYS 74 9.284 11.847 -9.893 617 HZ1 LYS 74 HZ1 LYS 74 10.872 10.301 -7.945 618 HZ2 LYS 74 HZ2 LYS 74 10.877 11.970 -8.181 619 HZ3 LYS 74 HZ3 LYS 74 11.524 10.947 -9.359 620 H MET 75 H MET 75 4.468 7.308 -10.440 621 HA MET 75 HA MET 75 5.216 6.338 -12.975 622 HB2 MET 75 HB2 MET 75 3.100 5.402 -11.008 623 HB3 MET 75 HB3 MET 75 3.438 4.534 -12.500 624 HG2 MET 75 HG2 MET 75 5.721 4.118 -11.788 625 HG3 MET 75 HG3 MET 75 5.459 5.072 -10.315 626 HE1 MET 75 HE1 MET 75 6.036 1.698 -11.288 627 HE2 MET 75 HE2 MET 75 5.504 0.930 -9.793 628 HE3 MET 75 HE3 MET 75 6.593 2.320 -9.738 629 H LEU 76 H LEU 76 2.158 7.812 -11.896 630 HA LEU 76 HA LEU 76 0.515 7.502 -14.115 631 HB2 LEU 76 HB2 LEU 76 0.716 9.503 -11.909 632 HB3 LEU 76 HB3 LEU 76 -0.179 10.049 -13.317 633 HG LEU 76 HG LEU 76 -1.668 8.012 -13.092 634 HD11 LEU 76 HD11 LEU 76 -0.170 6.506 -11.894 635 HD12 LEU 76 HD12 LEU 76 -1.677 6.711 -11.004 636 HD13 LEU 76 HD13 LEU 76 -0.216 7.549 -10.471 637 HD21 LEU 76 HD21 LEU 76 -2.408 10.167 -12.204 638 HD22 LEU 76 HD22 LEU 76 -1.606 9.836 -10.666 639 HD23 LEU 76 HD23 LEU 76 -2.977 8.849 -11.178 640 H ASN 77 H ASN 77 3.298 9.596 -13.833 641 HA ASN 77 HA ASN 77 2.677 10.938 -16.382 642 HB2 ASN 77 HB2 ASN 77 4.995 12.222 -15.287 643 HB3 ASN 77 HB3 ASN 77 3.336 12.833 -15.367 644 HD21 ASN 77 HD21 ASN 77 2.066 11.367 -13.372 645 HD22 ASN 77 HD22 ASN 77 2.762 11.797 -11.856 646 H SER 78 H SER 78 3.694 10.346 -18.138 647 HA SER 78 HA SER 78 5.398 8.112 -18.365 648 HB2 SER 78 HB2 SER 78 3.872 8.801 -20.163 649 HB3 SER 78 HB3 SER 78 4.794 10.279 -20.419 650 HG SER 78 HG SER 78 5.265 7.737 -21.305 651 H GLU 79 H GLU 79 6.190 11.363 -17.682 652 HA GLU 79 HA GLU 79 8.748 11.772 -18.707 653 HB2 GLU 79 HB2 GLU 79 7.644 13.619 -17.704 654 HB3 GLU 79 HB3 GLU 79 7.216 12.708 -16.261 655 HG2 GLU 79 HG2 GLU 79 9.539 12.752 -15.525 656 HG3 GLU 79 HG3 GLU 79 10.009 13.675 -16.956 657 H ILE 80 H ILE 80 7.675 10.094 -15.786 658 HA ILE 80 HA ILE 80 10.391 9.439 -14.920 659 HB ILE 80 HB ILE 80 7.697 8.827 -13.610 660 HG12 ILE 80 HG12 ILE 80 8.770 10.637 -11.921 661 HG13 ILE 80 HG13 ILE 80 9.635 11.134 -13.368 662 HG21 ILE 80 HG21 ILE 80 10.497 8.444 -12.477 663 HG22 ILE 80 HG22 ILE 80 9.353 7.168 -12.912 664 HG23 ILE 80 HG23 ILE 80 8.986 8.263 -11.579 665 HD11 ILE 80 HD11 ILE 80 7.520 11.534 -14.492 666 HD12 ILE 80 HD12 ILE 80 7.689 12.478 -13.013 667 HD13 ILE 80 HD13 ILE 80 6.659 11.047 -13.030 668 H LYS 81 H LYS 81 7.432 7.803 -16.033 669 HA LYS 81 HA LYS 81 6.990 5.850 -17.048 670 HB2 LYS 81 HB2 LYS 81 8.929 6.344 -18.507 671 HB3 LYS 81 HB3 LYS 81 10.008 5.564 -17.362 672 HG2 LYS 81 HG2 LYS 81 8.768 3.402 -17.786 673 HG3 LYS 81 HG3 LYS 81 7.874 4.234 -19.063 674 HD2 LYS 81 HD2 LYS 81 9.941 4.636 -20.302 675 HD3 LYS 81 HD3 LYS 81 10.904 3.951 -18.985 676 HE2 LYS 81 HE2 LYS 81 9.779 1.750 -19.364 677 HE3 LYS 81 HE3 LYS 81 8.903 2.459 -20.726 678 HZ1 LYS 81 HZ1 LYS 81 11.046 2.915 -21.774 679 HZ2 LYS 81 HZ2 LYS 81 10.819 1.265 -21.491 680 HZ3 LYS 81 HZ3 LYS 81 11.843 2.159 -20.486 681 H ILE 82 H ILE 82 6.962 3.510 -16.738 682 HA ILE 82 HA ILE 82 7.405 2.805 -13.913 683 HB ILE 82 HB ILE 82 5.567 1.398 -15.914 684 HG12 ILE 82 HG12 ILE 82 3.690 2.541 -14.468 685 HG13 ILE 82 HG13 ILE 82 4.946 3.682 -13.998 686 HG21 ILE 82 HG21 ILE 82 4.534 0.385 -13.910 687 HG22 ILE 82 HG22 ILE 82 5.742 1.177 -12.895 688 HG23 ILE 82 HG23 ILE 82 6.239 -0.041 -14.073 689 HD11 ILE 82 HD11 ILE 82 5.247 4.282 -16.364 690 HD12 ILE 82 HD12 ILE 82 3.599 4.550 -15.800 691 HD13 ILE 82 HD13 ILE 82 3.968 3.144 -16.797 692 H THR 83 H THR 83 9.420 1.940 -13.789 693 HA THR 83 HA THR 83 10.485 0.065 -15.673 694 HB THR 83 HB THR 83 11.388 0.699 -12.820 695 HG1 THR 83 HG1 THR 83 12.504 2.286 -13.674 696 HG21 THR 83 HG21 THR 83 12.899 -0.817 -14.986 697 HG22 THR 83 HG22 THR 83 12.279 -1.502 -13.480 698 HG23 THR 83 HG23 THR 83 13.572 -0.302 -13.438 699 H SER 84 H SER 84 10.417 -2.186 -15.623 700 HA SER 84 HA SER 84 8.331 -3.588 -14.429 701 HB2 SER 84 HB2 SER 84 10.997 -4.724 -15.368 702 HB3 SER 84 HB3 SER 84 9.511 -5.648 -15.133 703 HG SER 84 HG SER 84 8.862 -5.009 -17.016 704 H ASP 85 H ASP 85 11.723 -3.399 -13.356 705 HA ASP 85 HA ASP 85 11.509 -5.122 -11.091 706 HB2 ASP 85 HB2 ASP 85 13.559 -2.928 -11.565 707 HB3 ASP 85 HB3 ASP 85 13.748 -4.350 -10.541 708 H LEU 86 H LEU 86 11.010 -1.685 -11.556 709 HA LEU 86 HA LEU 86 11.039 -0.832 -8.843 710 HB2 LEU 86 HB2 LEU 86 11.263 0.721 -10.758 711 HB3 LEU 86 HB3 LEU 86 9.609 0.369 -11.237 712 HG LEU 86 HG LEU 86 8.864 1.295 -8.983 713 HD11 LEU 86 HD11 LEU 86 10.386 2.817 -7.788 714 HD12 LEU 86 HD12 LEU 86 11.721 2.313 -8.827 715 HD13 LEU 86 HD13 LEU 86 10.953 1.148 -7.743 716 HD21 LEU 86 HD21 LEU 86 10.244 3.213 -10.907 717 HD22 LEU 86 HD22 LEU 86 9.006 3.649 -9.724 718 HD23 LEU 86 HD23 LEU 86 8.604 2.571 -11.057 719 H ILE 87 H ILE 87 8.487 -2.107 -10.945 720 HA ILE 87 HA ILE 87 6.238 -1.818 -9.265 721 HB ILE 87 HB ILE 87 6.819 -4.167 -11.129 722 HG12 ILE 87 HG12 ILE 87 5.406 -1.565 -11.850 723 HG13 ILE 87 HG13 ILE 87 7.077 -1.929 -12.264 724 HG21 ILE 87 HG21 ILE 87 4.140 -3.073 -10.186 725 HG22 ILE 87 HG22 ILE 87 4.876 -4.597 -9.684 726 HG23 ILE 87 HG23 ILE 87 4.362 -4.379 -11.356 727 HD11 ILE 87 HD11 ILE 87 5.617 -2.275 -14.151 728 HD12 ILE 87 HD12 ILE 87 4.640 -3.420 -13.235 729 HD13 ILE 87 HD13 ILE 87 6.314 -3.813 -13.643 730 H ASP 88 H ASP 88 8.873 -4.194 -9.310 731 HA ASP 88 HA ASP 88 7.769 -5.971 -7.333 732 HB2 ASP 88 HB2 ASP 88 10.622 -5.677 -8.354 733 HB3 ASP 88 HB3 ASP 88 10.076 -6.957 -7.271 734 H LYS 89 H LYS 89 9.762 -3.038 -7.238 735 HA LYS 89 HA LYS 89 10.520 -3.211 -4.478 736 HB2 LYS 89 HB2 LYS 89 10.297 -0.877 -6.409 737 HB3 LYS 89 HB3 LYS 89 10.731 -0.634 -4.721 738 HG2 LYS 89 HG2 LYS 89 12.672 -2.175 -5.035 739 HG3 LYS 89 HG3 LYS 89 12.265 -2.285 -6.752 740 HD2 LYS 89 HD2 LYS 89 12.762 0.044 -7.110 741 HD3 LYS 89 HD3 LYS 89 12.840 0.368 -5.376 742 HE2 LYS 89 HE2 LYS 89 15.088 0.307 -6.369 743 HE3 LYS 89 HE3 LYS 89 14.878 -0.996 -5.199 744 HZ1 LYS 89 HZ1 LYS 89 16.000 -1.665 -7.269 745 HZ2 LYS 89 HZ2 LYS 89 14.586 -1.328 -8.127 746 HZ3 LYS 89 HZ3 LYS 89 14.594 -2.550 -6.961 747 H VAL 90 H VAL 90 7.784 -1.609 -6.148 748 HA VAL 90 HA VAL 90 6.363 -0.547 -3.985 749 HB VAL 90 HB VAL 90 5.113 -1.896 -6.435 750 HG11 VAL 90 HG11 VAL 90 3.968 0.239 -4.585 751 HG12 VAL 90 HG12 VAL 90 3.440 -1.443 -4.709 752 HG13 VAL 90 HG13 VAL 90 3.203 -0.343 -6.067 753 HG21 VAL 90 HG21 VAL 90 6.754 -0.247 -7.188 754 HG22 VAL 90 HG22 VAL 90 6.037 0.990 -6.151 755 HG23 VAL 90 HG23 VAL 90 5.121 0.337 -7.512 756 H LYS 91 H LYS 91 6.162 -3.770 -5.432 757 HA LYS 91 HA LYS 91 4.138 -4.902 -3.863 758 HB2 LYS 91 HB2 LYS 91 5.201 -5.814 -6.053 759 HB3 LYS 91 HB3 LYS 91 6.457 -6.488 -5.028 760 HG2 LYS 91 HG2 LYS 91 4.347 -7.521 -3.734 761 HG3 LYS 91 HG3 LYS 91 3.580 -7.288 -5.308 762 HD2 LYS 91 HD2 LYS 91 6.145 -8.862 -4.853 763 HD3 LYS 91 HD3 LYS 91 4.538 -9.581 -4.924 764 HE2 LYS 91 HE2 LYS 91 5.586 -9.914 -7.062 765 HE3 LYS 91 HE3 LYS 91 4.334 -8.706 -7.276 766 HZ1 LYS 91 HZ1 LYS 91 6.404 -8.212 -8.447 767 HZ2 LYS 91 HZ2 LYS 91 7.212 -8.091 -6.969 768 HZ3 LYS 91 HZ3 LYS 91 5.978 -7.001 -7.348 769 H LYS 92 H LYS 92 7.668 -5.038 -3.490 770 HA LYS 92 HA LYS 92 7.799 -6.837 -1.335 771 HB2 LYS 92 HB2 LYS 92 9.650 -6.284 -2.927 772 HB3 LYS 92 HB3 LYS 92 9.822 -4.729 -2.136 773 HG2 LYS 92 HG2 LYS 92 11.540 -6.128 -1.271 774 HG3 LYS 92 HG3 LYS 92 10.318 -5.958 -0.000 775 HD2 LYS 92 HD2 LYS 92 9.399 -8.175 -0.539 776 HD3 LYS 92 HD3 LYS 92 10.537 -8.342 -1.881 777 HE2 LYS 92 HE2 LYS 92 11.285 -9.618 0.080 778 HE3 LYS 92 HE3 LYS 92 12.425 -8.326 -0.296 779 HZ1 LYS 92 HZ1 LYS 92 11.399 -6.991 1.459 780 HZ2 LYS 92 HZ2 LYS 92 12.029 -8.440 2.059 781 HZ3 LYS 92 HZ3 LYS 92 10.363 -8.271 1.843 782 H LYS 93 H LYS 93 7.856 -3.294 -1.412 783 HA LYS 93 HA LYS 93 8.060 -2.735 1.360 784 HB2 LYS 93 HB2 LYS 93 6.822 -1.184 -0.940 785 HB3 LYS 93 HB3 LYS 93 6.986 -0.509 0.676 786 HG2 LYS 93 HG2 LYS 93 9.327 -0.362 0.524 787 HG3 LYS 93 HG3 LYS 93 9.423 -1.522 -0.806 788 HD2 LYS 93 HD2 LYS 93 8.526 0.073 -2.375 789 HD3 LYS 93 HD3 LYS 93 8.079 1.196 -1.091 790 HE2 LYS 93 HE2 LYS 93 10.963 0.446 -1.648 791 HE3 LYS 93 HE3 LYS 93 10.151 1.783 -2.465 792 HZ1 LYS 93 HZ1 LYS 93 11.355 2.562 -0.553 793 HZ2 LYS 93 HZ2 LYS 93 10.514 1.511 0.463 794 HZ3 LYS 93 HZ3 LYS 93 9.697 2.775 -0.306 795 H LEU 94 H LEU 94 5.255 -3.360 -0.724 796 HA LEU 94 HA LEU 94 3.246 -2.698 1.226 797 HB2 LEU 94 HB2 LEU 94 3.156 -2.702 -1.401 798 HB3 LEU 94 HB3 LEU 94 2.776 -4.402 -1.246 799 HG LEU 94 HG LEU 94 0.803 -2.868 -1.600 800 HD11 LEU 94 HD11 LEU 94 0.697 -4.475 0.950 801 HD12 LEU 94 HD12 LEU 94 0.460 -5.087 -0.688 802 HD13 LEU 94 HD13 LEU 94 -0.687 -3.936 -0.009 803 HD21 LEU 94 HD21 LEU 94 1.359 -1.942 1.233 804 HD22 LEU 94 HD22 LEU 94 -0.043 -1.518 0.245 805 HD23 LEU 94 HD23 LEU 94 1.563 -0.978 -0.233 806 H ASP 95 H ASP 95 4.761 -5.686 0.124 807 HA ASP 95 HA ASP 95 3.537 -7.624 1.734 808 HB2 ASP 95 HB2 ASP 95 6.236 -7.306 0.410 809 HB3 ASP 95 HB3 ASP 95 6.058 -8.615 1.562 810 H MET 96 H MET 96 6.209 -5.425 2.363 811 HA MET 96 HA MET 96 7.014 -6.339 4.895 812 HB2 MET 96 HB2 MET 96 8.469 -4.954 3.555 813 HB3 MET 96 HB3 MET 96 7.302 -3.644 3.530 814 HG2 MET 96 HG2 MET 96 9.187 -3.187 5.032 815 HG3 MET 96 HG3 MET 96 7.655 -3.238 5.908 816 HE1 MET 96 HE1 MET 96 8.765 -3.539 8.264 817 HE2 MET 96 HE2 MET 96 10.357 -3.376 7.516 818 HE3 MET 96 HE3 MET 96 10.029 -4.717 8.613 819 H VAL 97 H VAL 97 4.320 -4.222 3.974 820 HA VAL 97 HA VAL 97 3.844 -2.891 6.414 821 HB VAL 97 HB VAL 97 1.725 -3.786 4.401 822 HG11 VAL 97 HG11 VAL 97 0.393 -1.856 5.236 823 HG12 VAL 97 HG12 VAL 97 1.626 -1.534 6.458 824 HG13 VAL 97 HG13 VAL 97 0.700 -3.037 6.513 825 HG21 VAL 97 HG21 VAL 97 3.504 -2.513 3.272 826 HG22 VAL 97 HG22 VAL 97 3.346 -1.207 4.451 827 HG23 VAL 97 HG23 VAL 97 2.018 -1.561 3.343 828 H THR 98 H THR 98 2.774 -6.131 5.348 829 HA THR 98 HA THR 98 1.187 -6.837 7.600 830 HB THR 98 HB THR 98 2.820 -8.747 5.858 831 HG1 THR 98 HG1 THR 98 0.350 -8.774 5.032 832 HG21 THR 98 HG21 THR 98 1.084 -10.415 6.420 833 HG22 THR 98 HG22 THR 98 0.276 -9.235 7.453 834 HG23 THR 98 HG23 THR 98 1.883 -9.826 7.881 835 H ARG 99 H ARG 99 4.631 -7.380 6.883 836 HA ARG 99 HA ARG 99 5.281 -8.772 9.306 837 HB2 ARG 99 HB2 ARG 99 7.136 -7.401 7.317 838 HB3 ARG 99 HB3 ARG 99 7.627 -8.567 8.546 839 HG2 ARG 99 HG2 ARG 99 5.840 -9.122 6.143 840 HG3 ARG 99 HG3 ARG 99 7.521 -9.627 6.344 841 HD2 ARG 99 HD2 ARG 99 6.877 -11.060 8.240 842 HD3 ARG 99 HD3 ARG 99 5.198 -10.530 8.092 843 HE ARG 99 HE ARG 99 6.294 -11.740 5.701 844 HH11 ARG 99 HH11 ARG 99 4.606 -12.398 8.656 845 HH12 ARG 99 HH12 ARG 99 3.967 -13.888 8.066 846 HH21 ARG 99 HH21 ARG 99 5.459 -13.657 4.996 847 HH22 ARG 99 HH22 ARG 99 4.458 -14.601 6.037 848 H GLU 100 H GLU 100 5.137 -5.436 8.438 849 HA GLU 100 HA GLU 100 6.642 -4.385 10.662 850 HB2 GLU 100 HB2 GLU 100 6.365 -3.253 8.406 851 HB3 GLU 100 HB3 GLU 100 4.685 -2.947 8.818 852 HG2 GLU 100 HG2 GLU 100 6.119 -0.971 9.149 853 HG3 GLU 100 HG3 GLU 100 5.332 -1.493 10.639 854 H LEU 101 H LEU 101 3.227 -4.963 9.866 855 HA LEU 101 HA LEU 101 2.049 -4.084 12.297 856 HB2 LEU 101 HB2 LEU 101 0.761 -4.484 10.231 857 HB3 LEU 101 HB3 LEU 101 1.093 -6.198 10.317 858 HG LEU 101 HG LEU 101 -0.362 -4.981 12.665 859 HD11 LEU 101 HD11 LEU 101 -2.548 -5.107 11.584 860 HD12 LEU 101 HD12 LEU 101 -1.786 -5.503 10.041 861 HD13 LEU 101 HD13 LEU 101 -1.517 -3.922 10.780 862 HD21 LEU 101 HD21 LEU 101 -1.577 -7.122 12.675 863 HD22 LEU 101 HD22 LEU 101 0.164 -7.392 12.685 864 HD23 LEU 101 HD23 LEU 101 -0.752 -7.616 11.193 865 H ASP 102 H ASP 102 3.759 -7.075 11.456 866 HA ASP 102 HA ASP 102 3.097 -8.666 13.689 867 HB2 ASP 102 HB2 ASP 102 4.401 -9.445 11.715 868 HB3 ASP 102 HB3 ASP 102 5.774 -8.484 12.247 869 H LYS 103 H LYS 103 5.333 -5.917 13.430 870 HA LYS 103 HA LYS 103 6.503 -6.198 16.057 871 HB2 LYS 103 HB2 LYS 103 6.451 -3.724 14.280 872 HB3 LYS 103 HB3 LYS 103 7.496 -3.988 15.678 873 HG2 LYS 103 HG2 LYS 103 8.448 -5.995 14.356 874 HG3 LYS 103 HG3 LYS 103 7.606 -5.312 12.954 875 HD2 LYS 103 HD2 LYS 103 8.863 -3.115 13.475 876 HD3 LYS 103 HD3 LYS 103 9.849 -4.062 14.595 877 HE2 LYS 103 HE2 LYS 103 11.015 -3.855 12.479 878 HE3 LYS 103 HE3 LYS 103 10.507 -5.531 12.671 879 HZ1 LYS 103 HZ1 LYS 103 10.087 -4.720 10.446 880 HZ2 LYS 103 HZ2 LYS 103 9.106 -3.477 11.051 881 HZ3 LYS 103 HZ3 LYS 103 8.631 -5.091 11.222 882 H LYS 104 H LYS 104 3.484 -5.047 15.004 883 HA LYS 104 HA LYS 104 3.026 -2.698 16.447 884 HB2 LYS 104 HB2 LYS 104 1.677 -3.799 14.540 885 HB3 LYS 104 HB3 LYS 104 0.827 -4.669 15.810 886 HG2 LYS 104 HG2 LYS 104 0.029 -2.604 16.770 887 HG3 LYS 104 HG3 LYS 104 1.038 -1.657 15.685 888 HD2 LYS 104 HD2 LYS 104 -1.170 -1.547 14.836 889 HD3 LYS 104 HD3 LYS 104 -0.283 -2.603 13.744 890 HE2 LYS 104 HE2 LYS 104 -2.525 -3.516 14.204 891 HE3 LYS 104 HE3 LYS 104 -1.282 -4.584 14.863 892 HZ1 LYS 104 HZ1 LYS 104 -1.662 -3.643 17.033 893 HZ2 LYS 104 HZ2 LYS 104 -3.111 -4.241 16.411 894 HZ3 LYS 104 HZ3 LYS 104 -2.819 -2.577 16.421 895 H VAL 105 H VAL 105 2.597 -6.068 17.548 896 HA VAL 105 HA VAL 105 1.418 -5.445 20.081 897 HB VAL 105 HB VAL 105 2.226 -7.780 20.776 898 HG11 VAL 105 HG11 VAL 105 0.521 -7.582 18.264 899 HG12 VAL 105 HG12 VAL 105 -0.051 -7.429 19.925 900 HG13 VAL 105 HG13 VAL 105 0.588 -8.970 19.351 901 HG21 VAL 105 HG21 VAL 105 3.132 -7.930 17.865 902 HG22 VAL 105 HG22 VAL 105 3.067 -9.289 18.992 903 HG23 VAL 105 HG23 VAL 105 4.192 -7.959 19.279 904 H SER 106 H SER 106 4.794 -5.629 19.010 905 HA SER 106 HA SER 106 5.929 -5.466 21.677 906 HB2 SER 106 HB2 SER 106 7.273 -5.087 18.955 907 HB3 SER 106 HB3 SER 106 8.112 -5.264 20.500 908 HG SER 106 HG SER 106 7.304 -7.364 20.660 909 H GLY 107 H GLY 107 6.185 -3.228 18.862 910 HA2 GLY 107 HA2 GLY 107 5.914 -0.931 18.721 911 HA3 GLY 107 HA3 GLY 107 5.500 -0.884 20.423 912 H SER 108 H SER 108 8.356 -2.532 20.307 913 HA SER 108 HA SER 108 9.942 -0.252 21.146 914 HB2 SER 108 HB2 SER 108 11.703 -2.005 21.597 915 HB3 SER 108 HB3 SER 108 10.171 -2.321 22.414 916 HG SER 108 HG SER 108 11.181 -3.563 20.063 917 H TYR 109 H TYR 109 9.942 0.889 19.111 918 HA TYR 109 HA TYR 109 11.390 -0.204 16.828 919 HB2 TYR 109 HB2 TYR 109 10.019 2.457 17.343 920 HB3 TYR 109 HB3 TYR 109 10.970 2.169 15.892 921 HD1 TYR 109 HD2 TYR 109 10.180 0.631 14.151 922 HD2 TYR 109 HD1 TYR 109 7.811 1.326 17.642 923 HE1 TYR 109 HE2 TYR 109 8.246 -0.394 13.047 924 HE2 TYR 109 HE1 TYR 109 5.872 0.286 16.525 925 HH TYR 109 HH TYR 109 6.158 -1.448 13.548 926 H LEU 110 H LEU 110 13.253 -0.580 18.316 927 HA LEU 110 HA LEU 110 15.454 -0.401 18.604 928 HB2 LEU 110 HB2 LEU 110 15.286 2.129 16.946 929 HB3 LEU 110 HB3 LEU 110 16.790 1.356 17.431 930 HG LEU 110 HG LEU 110 14.678 0.192 15.563 931 HD11 LEU 110 HD11 LEU 110 16.021 1.938 14.519 932 HD12 LEU 110 HD12 LEU 110 16.411 0.362 13.836 933 HD13 LEU 110 HD13 LEU 110 17.511 1.116 14.995 934 HD21 LEU 110 HD21 LEU 110 17.271 -1.088 16.511 935 HD22 LEU 110 HD22 LEU 110 16.227 -1.716 15.232 936 HD23 LEU 110 HD23 LEU 110 15.631 -1.625 16.886 937 H VAL 111 H VAL 111 13.648 2.505 19.538 938 HA VAL 111 HA VAL 111 15.646 3.707 21.148 939 HB VAL 111 HB VAL 111 13.794 5.008 22.206 940 HG11 VAL 111 HG11 VAL 111 14.724 5.766 20.053 941 HG12 VAL 111 HG12 VAL 111 13.003 6.141 20.138 942 HG13 VAL 111 HG13 VAL 111 13.560 4.771 19.171 943 HG21 VAL 111 HG21 VAL 111 12.052 3.259 22.342 944 HG22 VAL 111 HG22 VAL 111 11.918 3.223 20.582 945 HG23 VAL 111 HG23 VAL 111 11.434 4.669 21.474 946 HA PRO 112 HA PRO 112 16.112 0.956 24.656 947 HB2 PRO 112 HB2 PRO 112 16.349 3.495 26.277 948 HB3 PRO 112 HB3 PRO 112 17.432 2.095 26.208 949 HG2 PRO 112 HG2 PRO 112 18.091 4.342 24.943 950 HG3 PRO 112 HG3 PRO 112 18.387 2.769 24.170 951 HD2 PRO 112 HD2 PRO 112 16.189 4.765 23.631 952 HD3 PRO 112 HD3 PRO 112 17.125 3.776 22.484 953 H ARG 113 H ARG 113 13.903 3.698 25.072 954 HA ARG 113 HA ARG 113 12.025 2.052 26.628 955 HB2 ARG 113 HB2 ARG 113 13.669 3.360 28.168 956 HB3 ARG 113 HB3 ARG 113 12.839 4.815 27.652 957 HG2 ARG 113 HG2 ARG 113 11.129 2.625 28.782 958 HG3 ARG 113 HG3 ARG 113 12.219 3.426 29.905 959 HD2 ARG 113 HD2 ARG 113 10.097 4.535 30.064 960 HD3 ARG 113 HD3 ARG 113 11.186 5.630 29.218 961 HE ARG 113 HE ARG 113 10.029 5.219 27.205 962 HH11 ARG 113 HH11 ARG 113 8.467 3.699 29.901 963 HH12 ARG 113 HH12 ARG 113 7.007 3.438 29.019 964 HH21 ARG 113 HH21 ARG 113 8.153 4.845 26.122 965 HH22 ARG 113 HH22 ARG 113 6.831 4.070 26.921 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -12.059 12.094 22.603 2 H2 MET 1 H2 MET 1 -12.961 12.737 23.876 3 H3 MET 1 H3 MET 1 -12.746 13.634 22.462 4 HA MET 1 HA MET 1 -14.955 12.727 22.515 5 HB2 MET 1 HB2 MET 1 -13.128 11.361 20.487 6 HB3 MET 1 HB3 MET 1 -14.882 11.432 20.342 7 HG2 MET 1 HG2 MET 1 -12.990 13.800 20.302 8 HG3 MET 1 HG3 MET 1 -13.847 13.108 18.921 9 HE1 MET 1 HE1 MET 1 -13.962 16.221 19.644 10 HE2 MET 1 HE2 MET 1 -15.683 16.566 19.474 11 HE3 MET 1 HE3 MET 1 -14.870 15.545 18.289 12 H GLY 2 H GLY 2 -12.447 10.213 22.789 13 HA2 GLY 2 HA2 GLY 2 -12.722 8.367 24.331 14 HA3 GLY 2 HA3 GLY 2 -14.433 8.319 23.938 15 H SER 3 H SER 3 -11.378 7.031 23.221 16 HA SER 3 HA SER 3 -11.619 6.381 20.466 17 HB2 SER 3 HB2 SER 3 -9.435 6.469 21.611 18 HB3 SER 3 HB3 SER 3 -9.875 5.079 22.607 19 HG SER 3 HG SER 3 -8.641 4.380 20.862 20 H HIS 4 H HIS 4 -13.209 5.111 19.681 21 HA HIS 4 HA HIS 4 -14.434 2.948 21.116 22 HB2 HIS 4 HB2 HIS 4 -14.651 3.836 18.215 23 HB3 HIS 4 HB3 HIS 4 -15.577 2.492 18.887 24 HD1 HIS 4 HD1 HIS 4 -15.420 6.207 18.818 25 HD2 HIS 4 HD2 HIS 4 -17.595 3.242 20.744 26 HE1 HIS 4 HE1 HIS 4 -17.356 7.381 19.872 27 HE2 HIS 4 HE2 HIS 4 -18.494 5.616 21.240 28 H GLN 5 H GLN 5 -13.384 1.155 21.540 29 HA GLN 5 HA GLN 5 -11.042 0.197 20.314 30 HB2 GLN 5 HB2 GLN 5 -12.999 -1.345 22.074 31 HB3 GLN 5 HB3 GLN 5 -11.321 -1.783 21.767 32 HG2 GLN 5 HG2 GLN 5 -12.283 0.680 23.267 33 HG3 GLN 5 HG3 GLN 5 -11.571 -0.769 23.975 34 HE21 GLN 5 HE21 GLN 5 -10.914 2.136 22.145 35 HE22 GLN 5 HE22 GLN 5 -9.198 2.091 22.321 36 H GLU 6 H GLU 6 -14.402 -0.480 19.650 37 HA GLU 6 HA GLU 6 -14.250 -2.834 18.123 38 HB2 GLU 6 HB2 GLU 6 -16.179 -0.490 17.803 39 HB3 GLU 6 HB3 GLU 6 -16.376 -2.052 17.023 40 HG2 GLU 6 HG2 GLU 6 -17.849 -1.952 18.909 41 HG3 GLU 6 HG3 GLU 6 -16.576 -3.118 19.262 42 H TYR 7 H TYR 7 -14.057 0.589 17.081 43 HA TYR 7 HA TYR 7 -13.499 0.116 14.341 44 HB2 TYR 7 HB2 TYR 7 -14.232 2.336 15.074 45 HB3 TYR 7 HB3 TYR 7 -12.805 2.522 16.086 46 HD1 TYR 7 HD1 TYR 7 -13.923 2.285 12.509 47 HD2 TYR 7 HD2 TYR 7 -10.747 3.413 15.145 48 HE1 TYR 7 HE1 TYR 7 -12.716 3.323 10.629 49 HE2 TYR 7 HE2 TYR 7 -9.553 4.453 13.266 50 HH TYR 7 HH TYR 7 -10.992 5.105 10.291 51 H ILE 8 H ILE 8 -11.350 0.634 17.142 52 HA ILE 8 HA ILE 8 -8.900 0.849 15.786 53 HB ILE 8 HB ILE 8 -9.426 -0.143 18.622 54 HG12 ILE 8 HG12 ILE 8 -10.317 2.137 18.235 55 HG13 ILE 8 HG13 ILE 8 -8.938 2.196 19.324 56 HG21 ILE 8 HG21 ILE 8 -6.804 0.847 17.437 57 HG22 ILE 8 HG22 ILE 8 -7.161 -0.799 17.957 58 HG23 ILE 8 HG23 ILE 8 -7.084 0.500 19.145 59 HD11 ILE 8 HD11 ILE 8 -8.909 2.920 16.387 60 HD12 ILE 8 HD12 ILE 8 -7.516 2.969 17.471 61 HD13 ILE 8 HD13 ILE 8 -8.889 4.037 17.752 62 H LYS 9 H LYS 9 -10.407 -2.084 17.205 63 HA LYS 9 HA LYS 9 -8.308 -3.863 16.402 64 HB2 LYS 9 HB2 LYS 9 -9.786 -5.682 17.097 65 HB3 LYS 9 HB3 LYS 9 -9.745 -4.414 18.311 66 HG2 LYS 9 HG2 LYS 9 -11.943 -3.641 17.674 67 HG3 LYS 9 HG3 LYS 9 -11.988 -4.720 16.286 68 HD2 LYS 9 HD2 LYS 9 -11.915 -5.617 19.200 69 HD3 LYS 9 HD3 LYS 9 -13.370 -5.531 18.205 70 HE2 LYS 9 HE2 LYS 9 -12.330 -7.175 16.630 71 HE3 LYS 9 HE3 LYS 9 -10.963 -7.325 17.731 72 HZ1 LYS 9 HZ1 LYS 9 -12.487 -8.143 19.431 73 HZ2 LYS 9 HZ2 LYS 9 -12.546 -9.110 18.044 74 HZ3 LYS 9 HZ3 LYS 9 -13.786 -8.006 18.357 75 H LYS 10 H LYS 10 -11.400 -2.930 14.948 76 HA LYS 10 HA LYS 10 -11.549 -4.942 12.940 77 HB2 LYS 10 HB2 LYS 10 -13.487 -3.573 13.755 78 HB3 LYS 10 HB3 LYS 10 -12.819 -2.168 12.936 79 HG2 LYS 10 HG2 LYS 10 -13.101 -3.320 10.751 80 HG3 LYS 10 HG3 LYS 10 -13.788 -4.716 11.587 81 HD2 LYS 10 HD2 LYS 10 -15.610 -3.191 12.473 82 HD3 LYS 10 HD3 LYS 10 -14.956 -1.907 11.453 83 HE2 LYS 10 HE2 LYS 10 -16.106 -4.549 10.495 84 HE3 LYS 10 HE3 LYS 10 -16.882 -2.971 10.379 85 HZ1 LYS 10 HZ1 LYS 10 -15.056 -2.264 8.922 86 HZ2 LYS 10 HZ2 LYS 10 -15.925 -3.566 8.287 87 HZ3 LYS 10 HZ3 LYS 10 -14.405 -3.827 8.981 88 H VAL 11 H VAL 11 -10.416 -1.561 12.844 89 HA VAL 11 HA VAL 11 -9.926 -1.447 10.056 90 HB VAL 11 HB VAL 11 -10.344 0.538 11.601 91 HG11 VAL 11 HG11 VAL 11 -8.441 1.628 12.706 92 HG12 VAL 11 HG12 VAL 11 -7.386 0.292 12.243 93 HG13 VAL 11 HG13 VAL 11 -8.715 0.014 13.370 94 HG21 VAL 11 HG21 VAL 11 -9.690 0.872 9.260 95 HG22 VAL 11 HG22 VAL 11 -7.984 0.772 9.699 96 HG23 VAL 11 HG23 VAL 11 -8.969 2.115 10.285 97 H THR 12 H THR 12 -7.987 -2.561 12.728 98 HA THR 12 HA THR 12 -5.442 -2.742 11.536 99 HB THR 12 HB THR 12 -6.698 -4.722 13.496 100 HG1 THR 12 HG1 THR 12 -6.689 -3.011 14.736 101 HG21 THR 12 HG21 THR 12 -4.580 -5.557 12.492 102 HG22 THR 12 HG22 THR 12 -4.381 -5.192 14.205 103 HG23 THR 12 HG23 THR 12 -3.763 -4.071 12.992 104 H ASP 13 H ASP 13 -8.144 -5.111 11.590 105 HA ASP 13 HA ASP 13 -6.845 -6.950 9.787 106 HB2 ASP 13 HB2 ASP 13 -9.655 -6.861 10.936 107 HB3 ASP 13 HB3 ASP 13 -9.125 -8.125 9.823 108 H GLU 14 H GLU 14 -9.173 -4.337 9.333 109 HA GLU 14 HA GLU 14 -9.879 -4.769 6.642 110 HB2 GLU 14 HB2 GLU 14 -9.427 -2.131 8.107 111 HB3 GLU 14 HB3 GLU 14 -10.168 -2.258 6.522 112 HG2 GLU 14 HG2 GLU 14 -11.277 -3.393 9.088 113 HG3 GLU 14 HG3 GLU 14 -11.838 -1.941 8.271 114 H LEU 15 H LEU 15 -7.019 -3.302 8.107 115 HA LEU 15 HA LEU 15 -5.652 -2.479 5.796 116 HB2 LEU 15 HB2 LEU 15 -5.051 -1.709 8.005 117 HB3 LEU 15 HB3 LEU 15 -4.660 -3.325 8.539 118 HG LEU 15 HG LEU 15 -3.016 -2.117 6.295 119 HD11 LEU 15 HD11 LEU 15 -1.482 -1.064 7.912 120 HD12 LEU 15 HD12 LEU 15 -2.578 -1.472 9.235 121 HD13 LEU 15 HD13 LEU 15 -3.082 -0.330 7.989 122 HD21 LEU 15 HD21 LEU 15 -2.604 -4.467 6.914 123 HD22 LEU 15 HD22 LEU 15 -2.307 -3.992 8.586 124 HD23 LEU 15 HD23 LEU 15 -1.206 -3.466 7.308 125 H LYS 16 H LYS 16 -5.682 -5.703 7.424 126 HA LYS 16 HA LYS 16 -3.751 -6.969 5.762 127 HB2 LYS 16 HB2 LYS 16 -6.049 -8.133 7.374 128 HB3 LYS 16 HB3 LYS 16 -5.027 -9.161 6.391 129 HG2 LYS 16 HG2 LYS 16 -4.302 -9.320 8.663 130 HG3 LYS 16 HG3 LYS 16 -3.057 -8.470 7.748 131 HD2 LYS 16 HD2 LYS 16 -3.607 -6.379 8.742 132 HD3 LYS 16 HD3 LYS 16 -5.153 -6.979 9.345 133 HE2 LYS 16 HE2 LYS 16 -2.426 -7.865 10.348 134 HE3 LYS 16 HE3 LYS 16 -3.489 -6.710 11.153 135 HZ1 LYS 16 HZ1 LYS 16 -4.110 -9.570 10.628 136 HZ2 LYS 16 HZ2 LYS 16 -5.154 -8.466 11.369 137 HZ3 LYS 16 HZ3 LYS 16 -3.701 -8.894 12.124 138 H GLU 17 H GLU 17 -7.321 -6.830 5.486 139 HA GLU 17 HA GLU 17 -7.677 -8.190 3.051 140 HB2 GLU 17 HB2 GLU 17 -9.558 -7.469 4.530 141 HB3 GLU 17 HB3 GLU 17 -9.250 -5.795 4.076 142 HG2 GLU 17 HG2 GLU 17 -9.819 -6.356 1.712 143 HG3 GLU 17 HG3 GLU 17 -10.165 -8.011 2.204 144 H LEU 18 H LEU 18 -6.767 -4.917 3.723 145 HA LEU 18 HA LEU 18 -7.069 -3.909 1.097 146 HB2 LEU 18 HB2 LEU 18 -7.023 -2.729 3.455 147 HB3 LEU 18 HB3 LEU 18 -5.292 -2.654 3.201 148 HG LEU 18 HG LEU 18 -5.509 -1.175 1.323 149 HD11 LEU 18 HD11 LEU 18 -8.490 -1.756 1.351 150 HD12 LEU 18 HD12 LEU 18 -7.319 -2.290 0.141 151 HD13 LEU 18 HD13 LEU 18 -7.682 -0.572 0.312 152 HD21 LEU 18 HD21 LEU 18 -6.748 0.741 2.253 153 HD22 LEU 18 HD22 LEU 18 -5.831 -0.077 3.516 154 HD23 LEU 18 HD23 LEU 18 -7.574 -0.327 3.394 155 H ILE 19 H ILE 19 -4.266 -5.220 2.894 156 HA ILE 19 HA ILE 19 -2.228 -4.724 0.994 157 HB ILE 19 HB ILE 19 -2.483 -7.147 2.856 158 HG12 ILE 19 HG12 ILE 19 -0.919 -4.559 3.323 159 HG13 ILE 19 HG13 ILE 19 -2.474 -4.929 4.056 160 HG21 ILE 19 HG21 ILE 19 -0.834 -7.597 1.071 161 HG22 ILE 19 HG22 ILE 19 -0.023 -7.413 2.623 162 HG23 ILE 19 HG23 ILE 19 0.015 -6.096 1.450 163 HD11 ILE 19 HD11 ILE 19 -1.457 -6.844 5.221 164 HD12 ILE 19 HD12 ILE 19 -0.679 -5.315 5.622 165 HD13 ILE 19 HD13 ILE 19 0.106 -6.431 4.507 166 H GLN 20 H GLN 20 -4.555 -7.410 1.300 167 HA GLN 20 HA GLN 20 -3.714 -8.984 -0.877 168 HB2 GLN 20 HB2 GLN 20 -5.291 -9.808 0.843 169 HB3 GLN 20 HB3 GLN 20 -6.519 -8.677 0.282 170 HG2 GLN 20 HG2 GLN 20 -6.637 -9.849 -1.878 171 HG3 GLN 20 HG3 GLN 20 -5.365 -10.956 -1.364 172 HE21 GLN 20 HE21 GLN 20 -5.864 -12.564 0.167 173 HE22 GLN 20 HE22 GLN 20 -7.491 -12.996 0.542 174 H ASN 21 H ASN 21 -6.231 -6.407 -0.772 175 HA ASN 21 HA ASN 21 -7.011 -6.499 -3.473 176 HB2 ASN 21 HB2 ASN 21 -7.083 -4.209 -1.472 177 HB3 ASN 21 HB3 ASN 21 -7.722 -4.046 -3.103 178 HD21 ASN 21 HD21 ASN 21 -8.300 -5.332 0.041 179 HD22 ASN 21 HD22 ASN 21 -9.875 -5.951 -0.279 180 H VAL 22 H VAL 22 -4.554 -4.393 -1.936 181 HA VAL 22 HA VAL 22 -3.723 -2.986 -4.221 182 HB VAL 22 HB VAL 22 -2.279 -3.594 -1.603 183 HG11 VAL 22 HG11 VAL 22 -0.583 -1.867 -2.198 184 HG12 VAL 22 HG12 VAL 22 -1.255 -1.791 -3.835 185 HG13 VAL 22 HG13 VAL 22 -0.499 -3.275 -3.255 186 HG21 VAL 22 HG21 VAL 22 -4.204 -2.083 -1.451 187 HG22 VAL 22 HG22 VAL 22 -3.526 -1.051 -2.710 188 HG23 VAL 22 HG23 VAL 22 -2.709 -1.191 -1.153 189 H ASN 23 H ASN 23 -2.207 -5.884 -2.716 190 HA ASN 23 HA ASN 23 -0.169 -6.305 -4.575 191 HB2 ASN 23 HB2 ASN 23 -1.671 -8.291 -2.827 192 HB3 ASN 23 HB3 ASN 23 -0.318 -8.777 -3.846 193 HD21 ASN 23 HD21 ASN 23 0.838 -9.414 -1.996 194 HD22 ASN 23 HD22 ASN 23 1.610 -8.260 -0.962 195 H ASP 24 H ASP 24 -3.523 -7.540 -4.663 196 HA ASP 24 HA ASP 24 -3.330 -9.043 -7.050 197 HB2 ASP 24 HB2 ASP 24 -5.648 -7.804 -5.553 198 HB3 ASP 24 HB3 ASP 24 -5.913 -8.631 -7.083 199 H ASP 25 H ASP 25 -4.217 -5.638 -6.532 200 HA ASP 25 HA ASP 25 -4.701 -4.962 -9.248 201 HB2 ASP 25 HB2 ASP 25 -3.998 -3.370 -6.779 202 HB3 ASP 25 HB3 ASP 25 -4.066 -2.560 -8.338 203 H ILE 26 H ILE 26 -1.709 -5.049 -7.312 204 HA ILE 26 HA ILE 26 0.019 -3.938 -9.295 205 HB ILE 26 HB ILE 26 0.802 -5.799 -7.000 206 HG12 ILE 26 HG12 ILE 26 0.963 -2.748 -7.023 207 HG13 ILE 26 HG13 ILE 26 -0.356 -3.633 -6.281 208 HG21 ILE 26 HG21 ILE 26 2.568 -5.661 -8.701 209 HG22 ILE 26 HG22 ILE 26 3.076 -4.799 -7.251 210 HG23 ILE 26 HG23 ILE 26 2.511 -3.898 -8.660 211 HD11 ILE 26 HD11 ILE 26 1.275 -2.904 -4.636 212 HD12 ILE 26 HD12 ILE 26 2.551 -3.786 -5.473 213 HD13 ILE 26 HD13 ILE 26 1.222 -4.667 -4.711 214 H LYS 27 H LYS 27 -1.120 -7.251 -8.627 215 HA LYS 27 HA LYS 27 0.656 -8.680 -10.323 216 HB2 LYS 27 HB2 LYS 27 -2.186 -9.333 -9.460 217 HB3 LYS 27 HB3 LYS 27 -1.135 -10.474 -10.300 218 HG2 LYS 27 HG2 LYS 27 0.379 -10.592 -8.445 219 HG3 LYS 27 HG3 LYS 27 -0.364 -9.200 -7.659 220 HD2 LYS 27 HD2 LYS 27 -2.486 -10.582 -7.424 221 HD3 LYS 27 HD3 LYS 27 -1.565 -11.976 -8.002 222 HE2 LYS 27 HE2 LYS 27 -0.062 -11.828 -6.084 223 HE3 LYS 27 HE3 LYS 27 -0.833 -10.333 -5.548 224 HZ1 LYS 27 HZ1 LYS 27 -1.615 -12.185 -4.268 225 HZ2 LYS 27 HZ2 LYS 27 -2.097 -13.011 -5.656 226 HZ3 LYS 27 HZ3 LYS 27 -2.885 -11.587 -5.210 227 H GLU 28 H GLU 28 -2.367 -6.997 -10.955 228 HA GLU 28 HA GLU 28 -2.588 -7.689 -13.732 229 HB2 GLU 28 HB2 GLU 28 -3.806 -5.369 -12.186 230 HB3 GLU 28 HB3 GLU 28 -4.264 -5.847 -13.820 231 HG2 GLU 28 HG2 GLU 28 -4.650 -7.438 -11.267 232 HG3 GLU 28 HG3 GLU 28 -5.900 -6.685 -12.256 233 H VAL 29 H VAL 29 -0.864 -5.182 -11.966 234 HA VAL 29 HA VAL 29 0.072 -3.806 -14.331 235 HB VAL 29 HB VAL 29 1.310 -3.756 -11.539 236 HG11 VAL 29 HG11 VAL 29 2.786 -2.928 -13.326 237 HG12 VAL 29 HG12 VAL 29 2.286 -1.627 -12.254 238 HG13 VAL 29 HG13 VAL 29 1.536 -1.791 -13.842 239 HG21 VAL 29 HG21 VAL 29 -0.817 -1.901 -12.691 240 HG22 VAL 29 HG22 VAL 29 0.051 -1.640 -11.171 241 HG23 VAL 29 HG23 VAL 29 -1.019 -3.032 -11.346 242 H GLU 30 H GLU 30 1.263 -6.526 -12.368 243 HA GLU 30 HA GLU 30 3.965 -6.468 -13.293 244 HB2 GLU 30 HB2 GLU 30 2.375 -8.593 -11.808 245 HB3 GLU 30 HB3 GLU 30 4.071 -8.809 -12.231 246 HG2 GLU 30 HG2 GLU 30 4.719 -6.919 -10.844 247 HG3 GLU 30 HG3 GLU 30 3.038 -6.514 -10.528 248 H LYS 31 H LYS 31 1.037 -7.885 -14.572 249 HA LYS 31 HA LYS 31 2.404 -9.390 -16.663 250 HB2 LYS 31 HB2 LYS 31 0.156 -9.781 -17.595 251 HB3 LYS 31 HB3 LYS 31 0.175 -10.125 -15.873 252 HG2 LYS 31 HG2 LYS 31 -0.914 -7.955 -15.421 253 HG3 LYS 31 HG3 LYS 31 -0.917 -7.600 -17.148 254 HD2 LYS 31 HD2 LYS 31 -3.124 -8.347 -16.507 255 HD3 LYS 31 HD3 LYS 31 -2.392 -9.588 -17.521 256 HE2 LYS 31 HE2 LYS 31 -1.924 -10.964 -15.578 257 HE3 LYS 31 HE3 LYS 31 -2.460 -9.684 -14.486 258 HZ1 LYS 31 HZ1 LYS 31 -4.125 -11.411 -14.803 259 HZ2 LYS 31 HZ2 LYS 31 -4.197 -11.073 -16.458 260 HZ3 LYS 31 HZ3 LYS 31 -4.684 -9.906 -15.330 261 H ASN 32 H ASN 32 0.788 -6.202 -16.388 262 HA ASN 32 HA ASN 32 1.875 -5.329 -19.024 263 HB2 ASN 32 HB2 ASN 32 -0.928 -4.769 -17.935 264 HB3 ASN 32 HB3 ASN 32 -0.233 -3.971 -19.338 265 HD21 ASN 32 HD21 ASN 32 -1.918 -4.719 -20.642 266 HD22 ASN 32 HD22 ASN 32 -2.040 -6.363 -21.134 267 HA PRO 33 HA PRO 33 3.570 -2.897 -15.359 268 HB2 PRO 33 HB2 PRO 33 5.405 -2.003 -17.598 269 HB3 PRO 33 HB3 PRO 33 5.797 -2.416 -15.916 270 HG2 PRO 33 HG2 PRO 33 6.265 -4.196 -17.818 271 HG3 PRO 33 HG3 PRO 33 5.527 -4.727 -16.288 272 HD2 PRO 33 HD2 PRO 33 4.223 -4.283 -18.973 273 HD3 PRO 33 HD3 PRO 33 3.927 -5.562 -17.776 274 H GLU 34 H GLU 34 3.269 -1.339 -18.555 275 HA GLU 34 HA GLU 34 2.962 1.320 -17.350 276 HB2 GLU 34 HB2 GLU 34 3.268 0.390 -20.239 277 HB3 GLU 34 HB3 GLU 34 3.139 2.081 -19.751 278 HG2 GLU 34 HG2 GLU 34 5.218 1.990 -18.545 279 HG3 GLU 34 HG3 GLU 34 5.305 0.233 -18.710 280 H ASP 35 H ASP 35 0.826 0.028 -16.525 281 HA ASP 35 HA ASP 35 -1.361 1.278 -18.100 282 HB2 ASP 35 HB2 ASP 35 -1.438 -1.315 -17.808 283 HB3 ASP 35 HB3 ASP 35 -1.828 -0.998 -16.123 284 H MET 36 H MET 36 -1.741 3.155 -17.171 285 HA MET 36 HA MET 36 -0.996 3.767 -14.454 286 HB2 MET 36 HB2 MET 36 -2.347 5.497 -16.551 287 HB3 MET 36 HB3 MET 36 -1.606 6.057 -15.072 288 HG2 MET 36 HG2 MET 36 0.090 4.520 -17.021 289 HG3 MET 36 HG3 MET 36 -0.324 6.195 -17.379 290 HE1 MET 36 HE1 MET 36 2.201 4.984 -13.672 291 HE2 MET 36 HE2 MET 36 1.661 3.808 -14.870 292 HE3 MET 36 HE3 MET 36 0.493 4.558 -13.775 293 H GLU 37 H GLU 37 -3.933 2.989 -16.085 294 HA GLU 37 HA GLU 37 -5.798 3.908 -14.135 295 HB2 GLU 37 HB2 GLU 37 -6.433 3.390 -16.475 296 HB3 GLU 37 HB3 GLU 37 -6.090 1.688 -16.205 297 HG2 GLU 37 HG2 GLU 37 -8.504 2.171 -16.166 298 HG3 GLU 37 HG3 GLU 37 -7.939 1.510 -14.633 299 H TYR 38 H TYR 38 -4.150 0.748 -14.595 300 HA TYR 38 HA TYR 38 -5.251 -0.459 -12.228 301 HB2 TYR 38 HB2 TYR 38 -3.000 -1.200 -14.106 302 HB3 TYR 38 HB3 TYR 38 -3.140 -2.055 -12.573 303 HD1 TYR 38 HD1 TYR 38 -5.737 -2.768 -12.046 304 HD2 TYR 38 HD2 TYR 38 -4.045 -2.295 -15.940 305 HE1 TYR 38 HE1 TYR 38 -7.457 -4.250 -12.975 306 HE2 TYR 38 HE2 TYR 38 -5.769 -3.776 -16.870 307 HH TYR 38 HH TYR 38 -8.538 -4.716 -15.108 308 H TRP 39 H TRP 39 -2.357 1.522 -12.809 309 HA TRP 39 HA TRP 39 -1.349 1.329 -10.129 310 HB2 TRP 39 HB2 TRP 39 -0.828 3.233 -12.418 311 HB3 TRP 39 HB3 TRP 39 -0.235 3.644 -10.814 312 HD1 TRP 39 HD1 TRP 39 0.889 1.884 -13.837 313 HE1 TRP 39 HE1 TRP 39 2.939 0.427 -13.339 314 HE3 TRP 39 HE3 TRP 39 0.674 1.851 -8.719 315 HZ2 TRP 39 HZ2 TRP 39 4.260 -0.629 -11.090 316 HZ3 TRP 39 HZ3 TRP 39 2.368 0.577 -7.471 317 HH2 TRP 39 HH2 TRP 39 4.134 -0.644 -8.638 318 H ASN 40 H ASN 40 -3.852 3.335 -11.610 319 HA ASN 40 HA ASN 40 -4.140 5.290 -9.606 320 HB2 ASN 40 HB2 ASN 40 -5.036 5.518 -11.878 321 HB3 ASN 40 HB3 ASN 40 -6.081 4.123 -11.642 322 HD21 ASN 40 HD21 ASN 40 -7.895 5.270 -12.120 323 HD22 ASN 40 HD22 ASN 40 -8.545 6.439 -11.060 324 H LYS 41 H LYS 41 -5.644 2.110 -10.109 325 HA LYS 41 HA LYS 41 -7.355 1.865 -7.928 326 HB2 LYS 41 HB2 LYS 41 -5.536 -0.212 -9.223 327 HB3 LYS 41 HB3 LYS 41 -6.832 -0.616 -8.105 328 HG2 LYS 41 HG2 LYS 41 -7.286 0.838 -10.730 329 HG3 LYS 41 HG3 LYS 41 -7.360 -0.916 -10.561 330 HD2 LYS 41 HD2 LYS 41 -9.107 0.947 -8.901 331 HD3 LYS 41 HD3 LYS 41 -9.593 0.362 -10.490 332 HE2 LYS 41 HE2 LYS 41 -10.616 -1.037 -8.794 333 HE3 LYS 41 HE3 LYS 41 -9.410 -1.984 -9.658 334 HZ1 LYS 41 HZ1 LYS 41 -9.415 -2.335 -7.246 335 HZ2 LYS 41 HZ2 LYS 41 -8.962 -0.722 -7.005 336 HZ3 LYS 41 HZ3 LYS 41 -7.922 -1.786 -7.816 337 H ILE 42 H ILE 42 -3.918 0.954 -8.091 338 HA ILE 42 HA ILE 42 -3.521 0.080 -5.450 339 HB ILE 42 HB ILE 42 -1.521 1.286 -7.419 340 HG12 ILE 42 HG12 ILE 42 -2.098 -1.668 -6.899 341 HG13 ILE 42 HG13 ILE 42 -2.882 -0.751 -8.179 342 HG21 ILE 42 HG21 ILE 42 -0.945 -0.425 -4.964 343 HG22 ILE 42 HG22 ILE 42 -0.532 1.277 -5.167 344 HG23 ILE 42 HG23 ILE 42 0.248 0.059 -6.174 345 HD11 ILE 42 HD11 ILE 42 -0.739 -0.372 -9.243 346 HD12 ILE 42 HD12 ILE 42 -1.045 -2.092 -9.001 347 HD13 ILE 42 HD13 ILE 42 0.076 -1.241 -7.939 348 H TYR 43 H TYR 43 -2.819 3.248 -6.916 349 HA TYR 43 HA TYR 43 -1.597 4.581 -4.821 350 HB2 TYR 43 HB2 TYR 43 -1.646 5.423 -7.130 351 HB3 TYR 43 HB3 TYR 43 -3.378 5.697 -7.027 352 HD1 TYR 43 HD2 TYR 43 -0.285 6.682 -5.081 353 HD2 TYR 43 HD1 TYR 43 -4.011 7.951 -6.762 354 HE1 TYR 43 HE2 TYR 43 0.135 8.972 -4.292 355 HE2 TYR 43 HE1 TYR 43 -3.581 10.240 -5.981 356 HH TYR 43 HH TYR 43 -0.570 11.292 -4.900 357 H ARG 44 H ARG 44 -5.076 4.383 -5.553 358 HA ARG 44 HA ARG 44 -5.955 6.155 -3.482 359 HB2 ARG 44 HB2 ARG 44 -7.459 4.119 -5.168 360 HB3 ARG 44 HB3 ARG 44 -8.248 5.241 -4.058 361 HG2 ARG 44 HG2 ARG 44 -7.388 7.156 -5.331 362 HG3 ARG 44 HG3 ARG 44 -6.518 6.071 -6.417 363 HD2 ARG 44 HD2 ARG 44 -8.643 5.146 -7.231 364 HD3 ARG 44 HD3 ARG 44 -9.543 6.170 -6.100 365 HE ARG 44 HE ARG 44 -7.953 7.871 -7.598 366 HH11 ARG 44 HH11 ARG 44 -10.499 5.654 -8.360 367 HH12 ARG 44 HH12 ARG 44 -11.056 6.610 -9.688 368 HH21 ARG 44 HH21 ARG 44 -8.659 9.039 -9.298 369 HH22 ARG 44 HH22 ARG 44 -10.030 8.500 -10.205 370 H LEU 45 H LEU 45 -5.594 2.620 -3.625 371 HA LEU 45 HA LEU 45 -6.883 2.102 -1.094 372 HB2 LEU 45 HB2 LEU 45 -4.962 0.352 -2.660 373 HB3 LEU 45 HB3 LEU 45 -5.988 -0.179 -1.336 374 HG LEU 45 HG LEU 45 -6.974 0.808 -4.044 375 HD11 LEU 45 HD11 LEU 45 -7.636 -1.508 -4.466 376 HD12 LEU 45 HD12 LEU 45 -6.947 -2.008 -2.920 377 HD13 LEU 45 HD13 LEU 45 -5.898 -1.391 -4.199 378 HD21 LEU 45 HD21 LEU 45 -8.583 1.367 -2.283 379 HD22 LEU 45 HD22 LEU 45 -8.574 -0.305 -1.715 380 HD23 LEU 45 HD23 LEU 45 -9.208 0.086 -3.315 381 H VAL 46 H VAL 46 -3.525 2.609 -2.098 382 HA VAL 46 HA VAL 46 -2.299 2.091 0.447 383 HB VAL 46 HB VAL 46 -1.263 3.607 -1.995 384 HG11 VAL 46 HG11 VAL 46 0.292 2.723 0.472 385 HG12 VAL 46 HG12 VAL 46 -0.066 4.387 0.015 386 HG13 VAL 46 HG13 VAL 46 0.995 3.412 -0.992 387 HG21 VAL 46 HG21 VAL 46 -0.683 0.776 -1.013 388 HG22 VAL 46 HG22 VAL 46 0.060 1.546 -2.416 389 HG23 VAL 46 HG23 VAL 46 -1.670 1.207 -2.413 390 H HIS 47 H HIS 47 -3.483 5.009 -1.194 391 HA HIS 47 HA HIS 47 -2.932 7.009 0.665 392 HB2 HIS 47 HB2 HIS 47 -3.927 7.661 -1.405 393 HB3 HIS 47 HB3 HIS 47 -5.273 6.548 -1.217 394 HD1 HIS 47 HD1 HIS 47 -7.328 7.379 0.015 395 HD2 HIS 47 HD2 HIS 47 -4.201 10.120 0.086 396 HE1 HIS 47 HE1 HIS 47 -8.317 9.494 0.907 397 HE2 HIS 47 HE2 HIS 47 -6.382 11.082 1.097 398 H THR 48 H THR 48 -5.438 4.511 0.733 399 HA THR 48 HA THR 48 -6.809 5.499 3.062 400 HB THR 48 HB THR 48 -6.947 2.773 1.706 401 HG1 THR 48 HG1 THR 48 -8.955 3.726 0.899 402 HG21 THR 48 HG21 THR 48 -8.826 4.001 3.771 403 HG22 THR 48 HG22 THR 48 -7.777 2.603 4.023 404 HG23 THR 48 HG23 THR 48 -9.121 2.502 2.885 405 H MET 49 H MET 49 -4.393 2.887 2.477 406 HA MET 49 HA MET 49 -4.126 1.844 5.076 407 HB2 MET 49 HB2 MET 49 -1.946 2.231 2.985 408 HB3 MET 49 HB3 MET 49 -1.776 1.232 4.423 409 HG2 MET 49 HG2 MET 49 -3.583 -0.211 3.605 410 HG3 MET 49 HG3 MET 49 -3.680 0.780 2.141 411 HE1 MET 49 HE1 MET 49 -1.979 -2.478 0.902 412 HE2 MET 49 HE2 MET 49 -3.418 -1.448 0.863 413 HE3 MET 49 HE3 MET 49 -3.069 -2.434 2.290 414 H LYS 50 H LYS 50 -2.411 4.522 3.548 415 HA LYS 50 HA LYS 50 -0.704 5.348 5.572 416 HB2 LYS 50 HB2 LYS 50 -0.705 6.177 3.208 417 HB3 LYS 50 HB3 LYS 50 -2.180 7.075 3.537 418 HG2 LYS 50 HG2 LYS 50 -0.910 8.387 5.279 419 HG3 LYS 50 HG3 LYS 50 0.559 7.567 4.753 420 HD2 LYS 50 HD2 LYS 50 0.411 9.769 3.684 421 HD3 LYS 50 HD3 LYS 50 0.245 8.506 2.458 422 HE2 LYS 50 HE2 LYS 50 -1.389 10.315 2.083 423 HE3 LYS 50 HE3 LYS 50 -2.215 8.807 2.481 424 HZ1 LYS 50 HZ1 LYS 50 -3.207 10.626 3.669 425 HZ2 LYS 50 HZ2 LYS 50 -1.724 11.091 4.319 426 HZ3 LYS 50 HZ3 LYS 50 -2.423 9.628 4.790 427 H GLU 51 H GLU 51 -4.024 6.459 4.850 428 HA GLU 51 HA GLU 51 -4.343 8.193 7.032 429 HB2 GLU 51 HB2 GLU 51 -5.724 8.192 4.960 430 HB3 GLU 51 HB3 GLU 51 -6.457 6.669 5.457 431 HG2 GLU 51 HG2 GLU 51 -7.458 7.747 7.397 432 HG3 GLU 51 HG3 GLU 51 -6.672 9.272 6.998 433 H ILE 52 H ILE 52 -4.888 4.687 6.752 434 HA ILE 52 HA ILE 52 -6.280 4.224 9.178 435 HB ILE 52 HB ILE 52 -4.513 2.387 7.496 436 HG12 ILE 52 HG12 ILE 52 -7.544 2.431 7.904 437 HG13 ILE 52 HG13 ILE 52 -6.706 3.082 6.503 438 HG21 ILE 52 HG21 ILE 52 -4.368 1.535 9.798 439 HG22 ILE 52 HG22 ILE 52 -5.340 0.445 8.811 440 HG23 ILE 52 HG23 ILE 52 -6.130 1.550 9.940 441 HD11 ILE 52 HD11 ILE 52 -6.791 0.176 7.322 442 HD12 ILE 52 HD12 ILE 52 -5.955 0.826 5.906 443 HD13 ILE 52 HD13 ILE 52 -7.711 0.931 6.023 444 H THR 53 H THR 53 -2.772 3.852 8.453 445 HA THR 53 HA THR 53 -2.040 3.353 11.157 446 HB THR 53 HB THR 53 -0.584 2.503 9.431 447 HG1 THR 53 HG1 THR 53 1.100 4.395 10.488 448 HG21 THR 53 HG21 THR 53 -0.843 4.231 7.688 449 HG22 THR 53 HG22 THR 53 0.859 3.930 8.046 450 HG23 THR 53 HG23 THR 53 0.065 5.364 8.694 451 H GLU 54 H GLU 54 -2.352 6.367 9.327 452 HA GLU 54 HA GLU 54 -1.015 8.031 11.247 453 HB2 GLU 54 HB2 GLU 54 -2.962 8.717 9.022 454 HB3 GLU 54 HB3 GLU 54 -2.211 9.936 10.047 455 HG2 GLU 54 HG2 GLU 54 0.013 9.223 9.264 456 HG3 GLU 54 HG3 GLU 54 -0.725 7.989 8.249 457 H THR 55 H THR 55 -4.482 7.126 10.795 458 HA THR 55 HA THR 55 -5.381 8.744 13.012 459 HB THR 55 HB THR 55 -6.956 8.061 11.170 460 HG1 THR 55 HG1 THR 55 -7.441 7.945 13.892 461 HG21 THR 55 HG21 THR 55 -6.371 5.658 10.959 462 HG22 THR 55 HG22 THR 55 -8.092 5.872 11.281 463 HG23 THR 55 HG23 THR 55 -7.009 5.359 12.576 464 H MET 56 H MET 56 -4.121 5.475 12.735 465 HA MET 56 HA MET 56 -4.503 4.669 15.454 466 HB2 MET 56 HB2 MET 56 -2.409 3.888 13.376 467 HB3 MET 56 HB3 MET 56 -2.468 3.165 14.977 468 HG2 MET 56 HG2 MET 56 -4.667 2.224 14.515 469 HG3 MET 56 HG3 MET 56 -4.708 3.029 12.943 470 HE1 MET 56 HE1 MET 56 -4.984 -0.260 13.675 471 HE2 MET 56 HE2 MET 56 -4.202 -0.890 12.226 472 HE3 MET 56 HE3 MET 56 -5.342 0.450 12.097 473 H GLY 57 H GLY 57 -2.014 6.556 13.773 474 HA2 GLY 57 HA2 GLY 57 -1.046 8.466 14.976 475 HA3 GLY 57 HA3 GLY 57 -0.853 7.429 16.379 476 H PHE 58 H PHE 58 -0.085 5.482 13.856 477 HA PHE 58 HA PHE 58 2.751 5.596 14.425 478 HB2 PHE 58 HB2 PHE 58 1.004 3.770 12.739 479 HB3 PHE 58 HB3 PHE 58 2.737 3.547 12.852 480 HD1 PHE 58 HD2 PHE 58 3.758 2.973 15.111 481 HD2 PHE 58 HD1 PHE 58 -0.470 3.060 14.489 482 HE1 PHE 58 HE2 PHE 58 3.420 1.688 17.185 483 HE2 PHE 58 HE1 PHE 58 -0.804 1.779 16.558 484 HZ PHE 58 HZ PHE 58 1.143 1.094 17.912 485 H SER 59 H SER 59 3.164 7.738 13.480 486 HA SER 59 HA SER 59 2.975 8.280 10.694 487 HB2 SER 59 HB2 SER 59 4.867 9.493 12.752 488 HB3 SER 59 HB3 SER 59 4.557 10.144 11.142 489 HG SER 59 HG SER 59 2.388 10.457 11.748 490 H SER 60 H SER 60 5.357 6.546 12.598 491 HA SER 60 HA SER 60 7.536 6.439 10.810 492 HB2 SER 60 HB2 SER 60 6.644 4.326 12.823 493 HB3 SER 60 HB3 SER 60 8.246 4.426 12.087 494 HG SER 60 HG SER 60 8.689 6.208 13.259 495 H VAL 61 H VAL 61 4.761 4.188 11.173 496 HA VAL 61 HA VAL 61 5.443 2.449 9.012 497 HB VAL 61 HB VAL 61 2.671 2.984 10.178 498 HG11 VAL 61 HG11 VAL 61 3.670 0.590 8.581 499 HG12 VAL 61 HG12 VAL 61 2.525 1.813 8.024 500 HG13 VAL 61 HG13 VAL 61 2.078 0.726 9.338 501 HG21 VAL 61 HG21 VAL 61 3.040 1.034 11.641 502 HG22 VAL 61 HG22 VAL 61 4.233 2.293 11.956 503 HG23 VAL 61 HG23 VAL 61 4.689 0.863 11.026 504 H ALA 62 H ALA 62 3.449 5.374 9.260 505 HA ALA 62 HA ALA 62 2.271 5.466 6.734 506 HB1 ALA 62 HB1 ALA 62 1.600 6.968 8.540 507 HB2 ALA 62 HB2 ALA 62 1.995 7.883 7.077 508 HB3 ALA 62 HB3 ALA 62 3.141 7.832 8.421 509 H LYS 63 H LYS 63 5.602 6.376 7.645 510 HA LYS 63 HA LYS 63 6.480 7.622 5.296 511 HB2 LYS 63 HB2 LYS 63 7.851 6.026 7.433 512 HB3 LYS 63 HB3 LYS 63 8.730 6.166 5.923 513 HG2 LYS 63 HG2 LYS 63 9.484 7.888 7.422 514 HG3 LYS 63 HG3 LYS 63 8.617 8.633 6.082 515 HD2 LYS 63 HD2 LYS 63 6.639 8.948 7.518 516 HD3 LYS 63 HD3 LYS 63 7.470 8.141 8.852 517 HE2 LYS 63 HE2 LYS 63 9.197 9.949 8.827 518 HE3 LYS 63 HE3 LYS 63 8.281 10.772 7.558 519 HZ1 LYS 63 HZ1 LYS 63 7.266 10.140 10.272 520 HZ2 LYS 63 HZ2 LYS 63 6.430 10.986 9.068 521 HZ3 LYS 63 HZ3 LYS 63 7.820 11.656 9.765 522 H VAL 64 H VAL 64 6.275 4.110 5.963 523 HA VAL 64 HA VAL 64 7.445 3.162 3.567 524 HB VAL 64 HB VAL 64 5.276 1.708 5.158 525 HG11 VAL 64 HG11 VAL 64 5.830 0.681 2.938 526 HG12 VAL 64 HG12 VAL 64 6.261 -0.364 4.294 527 HG13 VAL 64 HG13 VAL 64 7.519 0.537 3.446 528 HG21 VAL 64 HG21 VAL 64 7.090 0.690 6.495 529 HG22 VAL 64 HG22 VAL 64 7.046 2.442 6.698 530 HG23 VAL 64 HG23 VAL 64 8.279 1.704 5.672 531 H LEU 65 H LEU 65 4.061 3.805 4.393 532 HA LEU 65 HA LEU 65 2.977 3.054 1.836 533 HB2 LEU 65 HB2 LEU 65 1.778 4.563 4.191 534 HB3 LEU 65 HB3 LEU 65 0.868 4.188 2.740 535 HG LEU 65 HG LEU 65 0.287 2.568 4.441 536 HD11 LEU 65 HD11 LEU 65 0.421 1.706 2.146 537 HD12 LEU 65 HD12 LEU 65 0.816 0.455 3.320 538 HD13 LEU 65 HD13 LEU 65 2.105 1.238 2.401 539 HD21 LEU 65 HD21 LEU 65 1.925 1.035 5.476 540 HD22 LEU 65 HD22 LEU 65 2.201 2.721 5.909 541 HD23 LEU 65 HD23 LEU 65 3.238 1.945 4.710 542 H HIS 66 H HIS 66 4.216 6.018 3.227 543 HA HIS 66 HA HIS 66 3.168 7.827 1.269 544 HB2 HIS 66 HB2 HIS 66 3.899 8.545 3.563 545 HB3 HIS 66 HB3 HIS 66 5.568 8.246 3.097 546 HD1 HIS 66 HD1 HIS 66 6.629 9.921 1.353 547 HD2 HIS 66 HD2 HIS 66 2.811 10.932 2.654 548 HE1 HIS 66 HE1 HIS 66 6.253 12.269 0.557 549 HE2 HIS 66 HE2 HIS 66 3.984 12.892 1.436 550 H THR 67 H THR 67 6.062 5.772 1.482 551 HA THR 67 HA THR 67 7.507 6.963 -0.692 552 HB THR 67 HB THR 67 8.807 4.924 -0.962 553 HG1 THR 67 HG1 THR 67 7.451 3.421 0.942 554 HG21 THR 67 HG21 THR 67 8.240 5.321 1.984 555 HG22 THR 67 HG22 THR 67 9.408 6.228 1.023 556 HG23 THR 67 HG23 THR 67 9.647 4.503 1.307 557 H ILE 68 H ILE 68 4.966 4.510 -0.501 558 HA ILE 68 HA ILE 68 4.979 3.751 -3.257 559 HB ILE 68 HB ILE 68 2.558 3.493 -1.431 560 HG12 ILE 68 HG12 ILE 68 4.354 2.604 -0.075 561 HG13 ILE 68 HG13 ILE 68 3.454 1.238 -0.719 562 HG21 ILE 68 HG21 ILE 68 2.083 1.456 -2.753 563 HG22 ILE 68 HG22 ILE 68 3.519 1.757 -3.736 564 HG23 ILE 68 HG23 ILE 68 2.170 2.893 -3.773 565 HD11 ILE 68 HD11 ILE 68 6.094 2.255 -1.768 566 HD12 ILE 68 HD12 ILE 68 5.206 0.838 -2.356 567 HD13 ILE 68 HD13 ILE 68 5.845 0.870 -0.709 568 H MET 69 H MET 69 3.028 6.035 -1.336 569 HA MET 69 HA MET 69 1.205 7.012 -3.193 570 HB2 MET 69 HB2 MET 69 2.722 8.538 -1.033 571 HB3 MET 69 HB3 MET 69 1.343 9.199 -1.905 572 HG2 MET 69 HG2 MET 69 1.186 6.665 -0.292 573 HG3 MET 69 HG3 MET 69 0.878 8.260 0.388 574 HE1 MET 69 HE1 MET 69 -0.647 9.788 -1.928 575 HE2 MET 69 HE2 MET 69 -1.202 9.773 -0.252 576 HE3 MET 69 HE3 MET 69 -2.323 9.387 -1.557 577 H ASN 70 H ASN 70 4.488 8.224 -2.562 578 HA ASN 70 HA ASN 70 4.559 10.184 -4.626 579 HB2 ASN 70 HB2 ASN 70 5.981 10.183 -2.553 580 HB3 ASN 70 HB3 ASN 70 6.875 8.801 -3.205 581 HD21 ASN 70 HD21 ASN 70 8.434 9.162 -4.735 582 HD22 ASN 70 HD22 ASN 70 8.910 10.728 -5.281 583 H LEU 71 H LEU 71 5.645 6.840 -4.412 584 HA LEU 71 HA LEU 71 7.269 6.666 -6.701 585 HB2 LEU 71 HB2 LEU 71 7.090 5.123 -4.659 586 HB3 LEU 71 HB3 LEU 71 5.691 4.397 -5.417 587 HG LEU 71 HG LEU 71 8.421 4.412 -6.737 588 HD11 LEU 71 HD11 LEU 71 8.681 3.329 -4.536 589 HD12 LEU 71 HD12 LEU 71 8.814 2.143 -5.831 590 HD13 LEU 71 HD13 LEU 71 7.325 2.252 -4.889 591 HD21 LEU 71 HD21 LEU 71 7.535 2.430 -7.957 592 HD22 LEU 71 HD22 LEU 71 6.559 3.869 -8.242 593 HD23 LEU 71 HD23 LEU 71 5.986 2.625 -7.129 594 H VAL 72 H VAL 72 3.894 5.670 -6.209 595 HA VAL 72 HA VAL 72 3.326 4.887 -8.876 596 HB VAL 72 HB VAL 72 1.350 5.747 -6.706 597 HG11 VAL 72 HG11 VAL 72 0.932 4.084 -9.218 598 HG12 VAL 72 HG12 VAL 72 0.328 5.718 -8.939 599 HG13 VAL 72 HG13 VAL 72 -0.291 4.377 -7.976 600 HG21 VAL 72 HG21 VAL 72 2.399 2.959 -7.349 601 HG22 VAL 72 HG22 VAL 72 1.125 3.330 -6.187 602 HG23 VAL 72 HG23 VAL 72 2.769 3.897 -5.902 603 H ASP 73 H ASP 73 2.744 7.893 -7.053 604 HA ASP 73 HA ASP 73 1.309 9.358 -8.989 605 HB2 ASP 73 HB2 ASP 73 1.340 10.017 -6.637 606 HB3 ASP 73 HB3 ASP 73 3.074 10.297 -6.689 607 H LYS 74 H LYS 74 4.795 8.869 -8.614 608 HA LYS 74 HA LYS 74 5.604 10.927 -10.459 609 HB2 LYS 74 HB2 LYS 74 6.962 8.897 -8.798 610 HB3 LYS 74 HB3 LYS 74 7.727 9.061 -10.364 611 HG2 LYS 74 HG2 LYS 74 8.914 10.523 -8.952 612 HG3 LYS 74 HG3 LYS 74 7.878 11.567 -9.914 613 HD2 LYS 74 HD2 LYS 74 7.128 10.691 -7.101 614 HD3 LYS 74 HD3 LYS 74 8.132 12.104 -7.404 615 HE2 LYS 74 HE2 LYS 74 6.290 13.125 -8.700 616 HE3 LYS 74 HE3 LYS 74 5.287 11.708 -8.392 617 HZ1 LYS 74 HZ1 LYS 74 5.549 12.200 -5.988 618 HZ2 LYS 74 HZ2 LYS 74 4.692 13.373 -6.854 619 HZ3 LYS 74 HZ3 LYS 74 6.300 13.660 -6.405 620 H MET 75 H MET 75 5.332 7.378 -10.722 621 HA MET 75 HA MET 75 6.023 7.210 -13.478 622 HB2 MET 75 HB2 MET 75 4.480 5.231 -11.763 623 HB3 MET 75 HB3 MET 75 5.157 4.886 -13.350 624 HG2 MET 75 HG2 MET 75 7.440 5.403 -12.408 625 HG3 MET 75 HG3 MET 75 6.691 5.517 -10.812 626 HE1 MET 75 HE1 MET 75 5.249 3.465 -9.791 627 HE2 MET 75 HE2 MET 75 5.302 1.825 -10.438 628 HE3 MET 75 HE3 MET 75 4.429 3.084 -11.309 629 H LEU 76 H LEU 76 3.007 7.712 -11.803 630 HA LEU 76 HA LEU 76 0.965 7.389 -13.634 631 HB2 LEU 76 HB2 LEU 76 0.979 8.313 -11.174 632 HB3 LEU 76 HB3 LEU 76 1.257 9.897 -11.923 633 HG LEU 76 HG LEU 76 -0.938 9.722 -13.085 634 HD11 LEU 76 HD11 LEU 76 -1.112 7.287 -13.357 635 HD12 LEU 76 HD12 LEU 76 -2.539 7.920 -12.542 636 HD13 LEU 76 HD13 LEU 76 -1.293 7.084 -11.612 637 HD21 LEU 76 HD21 LEU 76 -0.840 10.800 -10.873 638 HD22 LEU 76 HD22 LEU 76 -1.139 9.248 -10.085 639 HD23 LEU 76 HD23 LEU 76 -2.383 9.980 -11.101 640 H ASN 77 H ASN 77 3.221 10.017 -13.268 641 HA ASN 77 HA ASN 77 2.265 11.573 -15.537 642 HB2 ASN 77 HB2 ASN 77 4.684 12.111 -13.756 643 HB3 ASN 77 HB3 ASN 77 3.754 13.251 -14.700 644 HD21 ASN 77 HD21 ASN 77 4.425 13.148 -11.819 645 HD22 ASN 77 HD22 ASN 77 2.914 13.293 -10.998 646 H SER 78 H SER 78 3.151 11.374 -17.556 647 HA SER 78 HA SER 78 4.932 9.277 -18.219 648 HB2 SER 78 HB2 SER 78 3.994 11.604 -19.934 649 HB3 SER 78 HB3 SER 78 4.793 10.158 -20.547 650 HG SER 78 HG SER 78 2.983 8.989 -19.496 651 H GLU 79 H GLU 79 5.763 12.298 -16.991 652 HA GLU 79 HA GLU 79 8.195 12.896 -18.359 653 HB2 GLU 79 HB2 GLU 79 8.644 14.358 -16.359 654 HB3 GLU 79 HB3 GLU 79 7.055 14.615 -17.066 655 HG2 GLU 79 HG2 GLU 79 6.018 13.253 -15.309 656 HG3 GLU 79 HG3 GLU 79 7.596 12.949 -14.599 657 H ILE 80 H ILE 80 7.357 10.608 -15.907 658 HA ILE 80 HA ILE 80 10.179 10.046 -15.155 659 HB ILE 80 HB ILE 80 7.575 9.318 -13.742 660 HG12 ILE 80 HG12 ILE 80 8.182 11.781 -13.754 661 HG13 ILE 80 HG13 ILE 80 8.028 11.090 -12.163 662 HG21 ILE 80 HG21 ILE 80 8.984 8.634 -11.809 663 HG22 ILE 80 HG22 ILE 80 10.430 8.883 -12.791 664 HG23 ILE 80 HG23 ILE 80 9.267 7.634 -13.235 665 HD11 ILE 80 HD11 ILE 80 9.901 12.628 -12.300 666 HD12 ILE 80 HD12 ILE 80 10.624 11.679 -13.596 667 HD13 ILE 80 HD13 ILE 80 10.481 10.997 -11.973 668 H LYS 81 H LYS 81 7.096 8.404 -15.980 669 HA LYS 81 HA LYS 81 6.563 6.554 -17.156 670 HB2 LYS 81 HB2 LYS 81 8.784 7.366 -18.481 671 HB3 LYS 81 HB3 LYS 81 9.398 5.829 -17.910 672 HG2 LYS 81 HG2 LYS 81 6.813 6.045 -19.483 673 HG3 LYS 81 HG3 LYS 81 8.377 5.954 -20.283 674 HD2 LYS 81 HD2 LYS 81 7.233 3.843 -18.413 675 HD3 LYS 81 HD3 LYS 81 7.221 3.761 -20.173 676 HE2 LYS 81 HE2 LYS 81 9.712 3.786 -20.162 677 HE3 LYS 81 HE3 LYS 81 9.681 3.780 -18.396 678 HZ1 LYS 81 HZ1 LYS 81 10.019 1.577 -19.397 679 HZ2 LYS 81 HZ2 LYS 81 8.483 1.660 -20.090 680 HZ3 LYS 81 HZ3 LYS 81 8.654 1.644 -18.411 681 H ILE 82 H ILE 82 6.616 4.164 -17.017 682 HA ILE 82 HA ILE 82 6.935 3.419 -14.228 683 HB ILE 82 HB ILE 82 5.595 1.815 -16.461 684 HG12 ILE 82 HG12 ILE 82 3.417 2.598 -15.245 685 HG13 ILE 82 HG13 ILE 82 4.412 3.893 -14.594 686 HG21 ILE 82 HG21 ILE 82 4.479 0.587 -14.615 687 HG22 ILE 82 HG22 ILE 82 5.422 1.505 -13.440 688 HG23 ILE 82 HG23 ILE 82 6.232 0.409 -14.562 689 HD11 ILE 82 HD11 ILE 82 3.159 4.622 -16.521 690 HD12 ILE 82 HD12 ILE 82 3.864 3.344 -17.506 691 HD13 ILE 82 HD13 ILE 82 4.883 4.647 -16.887 692 H THR 83 H THR 83 8.691 2.339 -13.576 693 HA THR 83 HA THR 83 10.267 0.773 -15.486 694 HB THR 83 HB THR 83 10.888 1.568 -12.605 695 HG1 THR 83 HG1 THR 83 12.302 3.036 -13.567 696 HG21 THR 83 HG21 THR 83 12.698 0.205 -14.639 697 HG22 THR 83 HG22 THR 83 12.086 -0.515 -13.147 698 HG23 THR 83 HG23 THR 83 13.217 0.839 -13.076 699 H SER 84 H SER 84 10.126 -1.457 -15.551 700 HA SER 84 HA SER 84 8.058 -2.798 -14.175 701 HB2 SER 84 HB2 SER 84 8.842 -4.861 -15.264 702 HB3 SER 84 HB3 SER 84 8.841 -3.514 -16.402 703 HG SER 84 HG SER 84 10.776 -5.024 -16.180 704 H ASP 85 H ASP 85 11.577 -2.858 -13.556 705 HA ASP 85 HA ASP 85 11.444 -4.769 -11.414 706 HB2 ASP 85 HB2 ASP 85 13.614 -2.762 -12.120 707 HB3 ASP 85 HB3 ASP 85 13.785 -4.041 -10.919 708 H LEU 86 H LEU 86 11.031 -1.303 -11.544 709 HA LEU 86 HA LEU 86 11.345 -0.732 -8.753 710 HB2 LEU 86 HB2 LEU 86 11.444 0.981 -10.588 711 HB3 LEU 86 HB3 LEU 86 9.713 0.790 -10.810 712 HG LEU 86 HG LEU 86 9.443 1.526 -8.368 713 HD11 LEU 86 HD11 LEU 86 11.257 2.828 -7.349 714 HD12 LEU 86 HD12 LEU 86 12.336 2.391 -8.675 715 HD13 LEU 86 HD13 LEU 86 11.728 1.147 -7.583 716 HD21 LEU 86 HD21 LEU 86 9.630 3.927 -8.929 717 HD22 LEU 86 HD22 LEU 86 8.892 2.998 -10.231 718 HD23 LEU 86 HD23 LEU 86 10.576 3.519 -10.366 719 H ILE 87 H ILE 87 8.634 -1.776 -10.746 720 HA ILE 87 HA ILE 87 6.485 -1.598 -8.975 721 HB ILE 87 HB ILE 87 7.020 -3.896 -10.919 722 HG12 ILE 87 HG12 ILE 87 5.650 -1.226 -11.477 723 HG13 ILE 87 HG13 ILE 87 7.236 -1.703 -12.066 724 HG21 ILE 87 HG21 ILE 87 4.367 -2.841 -9.872 725 HG22 ILE 87 HG22 ILE 87 5.128 -4.363 -9.407 726 HG23 ILE 87 HG23 ILE 87 4.567 -4.129 -11.062 727 HD11 ILE 87 HD11 ILE 87 5.567 -1.884 -13.802 728 HD12 ILE 87 HD12 ILE 87 4.606 -2.979 -12.813 729 HD13 ILE 87 HD13 ILE 87 6.193 -3.483 -13.400 730 H ASP 88 H ASP 88 9.155 -3.942 -9.096 731 HA ASP 88 HA ASP 88 8.121 -5.803 -7.164 732 HB2 ASP 88 HB2 ASP 88 10.976 -5.321 -8.101 733 HB3 ASP 88 HB3 ASP 88 10.464 -6.688 -7.111 734 H LYS 89 H LYS 89 9.962 -2.799 -6.900 735 HA LYS 89 HA LYS 89 10.713 -2.978 -4.160 736 HB2 LYS 89 HB2 LYS 89 11.649 -1.259 -5.674 737 HB3 LYS 89 HB3 LYS 89 10.067 -0.501 -5.823 738 HG2 LYS 89 HG2 LYS 89 10.102 0.102 -3.438 739 HG3 LYS 89 HG3 LYS 89 11.658 -0.713 -3.238 740 HD2 LYS 89 HD2 LYS 89 12.714 0.903 -4.782 741 HD3 LYS 89 HD3 LYS 89 11.153 1.692 -5.039 742 HE2 LYS 89 HE2 LYS 89 11.074 2.322 -2.659 743 HE3 LYS 89 HE3 LYS 89 12.618 1.516 -2.384 744 HZ1 LYS 89 HZ1 LYS 89 12.849 3.919 -2.644 745 HZ2 LYS 89 HZ2 LYS 89 12.202 3.824 -4.205 746 HZ3 LYS 89 HZ3 LYS 89 13.677 3.082 -3.858 747 H VAL 90 H VAL 90 7.788 -1.728 -5.762 748 HA VAL 90 HA VAL 90 6.323 -0.787 -3.550 749 HB VAL 90 HB VAL 90 5.157 -2.132 -6.040 750 HG11 VAL 90 HG11 VAL 90 3.473 -1.777 -4.287 751 HG12 VAL 90 HG12 VAL 90 3.177 -0.694 -5.645 752 HG13 VAL 90 HG13 VAL 90 3.918 -0.073 -4.169 753 HG21 VAL 90 HG21 VAL 90 6.745 -0.376 -6.705 754 HG22 VAL 90 HG22 VAL 90 5.918 0.792 -5.671 755 HG23 VAL 90 HG23 VAL 90 5.089 0.109 -7.072 756 H LYS 91 H LYS 91 6.232 -3.978 -5.125 757 HA LYS 91 HA LYS 91 4.525 -5.383 -3.422 758 HB2 LYS 91 HB2 LYS 91 6.875 -6.283 -5.128 759 HB3 LYS 91 HB3 LYS 91 5.872 -7.432 -4.256 760 HG2 LYS 91 HG2 LYS 91 4.753 -5.467 -6.277 761 HG3 LYS 91 HG3 LYS 91 5.292 -7.095 -6.699 762 HD2 LYS 91 HD2 LYS 91 3.121 -6.485 -4.644 763 HD3 LYS 91 HD3 LYS 91 2.808 -6.915 -6.326 764 HE2 LYS 91 HE2 LYS 91 4.154 -8.664 -4.237 765 HE3 LYS 91 HE3 LYS 91 2.542 -8.888 -4.923 766 HZ1 LYS 91 HZ1 LYS 91 5.125 -9.091 -6.374 767 HZ2 LYS 91 HZ2 LYS 91 3.604 -9.192 -7.108 768 HZ3 LYS 91 HZ3 LYS 91 4.084 -10.366 -5.985 769 H LYS 92 H LYS 92 8.044 -4.897 -3.162 770 HA LYS 92 HA LYS 92 8.528 -6.635 -0.989 771 HB2 LYS 92 HB2 LYS 92 10.282 -5.849 -2.544 772 HB3 LYS 92 HB3 LYS 92 10.101 -4.217 -1.922 773 HG2 LYS 92 HG2 LYS 92 12.070 -5.209 -0.928 774 HG3 LYS 92 HG3 LYS 92 10.831 -5.003 0.315 775 HD2 LYS 92 HD2 LYS 92 11.940 -7.177 0.573 776 HD3 LYS 92 HD3 LYS 92 10.246 -7.402 0.144 777 HE2 LYS 92 HE2 LYS 92 10.887 -7.862 -2.193 778 HE3 LYS 92 HE3 LYS 92 12.587 -7.599 -1.793 779 HZ1 LYS 92 HZ1 LYS 92 10.847 -9.719 -0.651 780 HZ2 LYS 92 HZ2 LYS 92 12.485 -9.484 -0.291 781 HZ3 LYS 92 HZ3 LYS 92 12.020 -9.944 -1.848 782 H LYS 93 H LYS 93 7.630 -3.234 -1.126 783 HA LYS 93 HA LYS 93 7.905 -2.645 1.637 784 HB2 LYS 93 HB2 LYS 93 6.088 -1.349 -0.427 785 HB3 LYS 93 HB3 LYS 93 6.420 -0.698 1.171 786 HG2 LYS 93 HG2 LYS 93 8.450 -1.078 -1.051 787 HG3 LYS 93 HG3 LYS 93 7.738 0.451 -0.536 788 HD2 LYS 93 HD2 LYS 93 8.805 0.194 1.688 789 HD3 LYS 93 HD3 LYS 93 9.533 -1.328 1.159 790 HE2 LYS 93 HE2 LYS 93 10.776 -0.096 -0.612 791 HE3 LYS 93 HE3 LYS 93 10.071 1.417 -0.033 792 HZ1 LYS 93 HZ1 LYS 93 11.788 -0.392 1.566 793 HZ2 LYS 93 HZ2 LYS 93 11.155 1.090 2.075 794 HZ3 LYS 93 HZ3 LYS 93 12.299 1.043 0.833 795 H LEU 94 H LEU 94 5.120 -3.892 -0.248 796 HA LEU 94 HA LEU 94 3.341 -4.026 2.006 797 HB2 LEU 94 HB2 LEU 94 3.266 -5.151 -0.772 798 HB3 LEU 94 HB3 LEU 94 2.116 -5.749 0.396 799 HG LEU 94 HG LEU 94 1.058 -4.047 -0.964 800 HD11 LEU 94 HD11 LEU 94 0.373 -4.139 1.377 801 HD12 LEU 94 HD12 LEU 94 0.247 -2.501 0.743 802 HD13 LEU 94 HD13 LEU 94 1.591 -2.933 1.803 803 HD21 LEU 94 HD21 LEU 94 3.241 -2.125 -0.109 804 HD22 LEU 94 HD22 LEU 94 1.814 -1.716 -1.066 805 HD23 LEU 94 HD23 LEU 94 3.027 -2.815 -1.720 806 H ASP 95 H ASP 95 5.727 -6.273 0.673 807 HA ASP 95 HA ASP 95 5.239 -8.524 2.312 808 HB2 ASP 95 HB2 ASP 95 7.801 -7.370 1.141 809 HB3 ASP 95 HB3 ASP 95 7.820 -8.857 2.071 810 H MET 96 H MET 96 7.134 -5.586 2.811 811 HA MET 96 HA MET 96 8.112 -6.094 5.409 812 HB2 MET 96 HB2 MET 96 9.269 -4.437 4.168 813 HB3 MET 96 HB3 MET 96 7.794 -3.583 3.746 814 HG2 MET 96 HG2 MET 96 7.579 -2.747 6.025 815 HG3 MET 96 HG3 MET 96 8.963 -3.700 6.539 816 HE1 MET 96 HE1 MET 96 10.360 -0.072 6.811 817 HE2 MET 96 HE2 MET 96 10.140 -1.615 7.632 818 HE3 MET 96 HE3 MET 96 8.736 -0.629 7.216 819 H VAL 97 H VAL 97 5.062 -4.572 4.308 820 HA VAL 97 HA VAL 97 4.179 -3.577 6.808 821 HB VAL 97 HB VAL 97 2.351 -4.670 4.611 822 HG11 VAL 97 HG11 VAL 97 1.785 -2.620 6.796 823 HG12 VAL 97 HG12 VAL 97 1.180 -4.276 6.750 824 HG13 VAL 97 HG13 VAL 97 0.656 -3.117 5.532 825 HG21 VAL 97 HG21 VAL 97 3.804 -3.042 3.570 826 HG22 VAL 97 HG22 VAL 97 3.554 -1.885 4.883 827 HG23 VAL 97 HG23 VAL 97 2.221 -2.291 3.791 828 H THR 98 H THR 98 3.622 -6.724 5.226 829 HA THR 98 HA THR 98 2.196 -8.053 7.258 830 HB THR 98 HB THR 98 4.107 -9.267 5.203 831 HG1 THR 98 HG1 THR 98 2.595 -8.362 3.961 832 HG21 THR 98 HG21 THR 98 3.506 -10.902 6.980 833 HG22 THR 98 HG22 THR 98 2.761 -11.331 5.441 834 HG23 THR 98 HG23 THR 98 1.792 -10.570 6.702 835 H ARG 99 H ARG 99 5.723 -7.804 6.713 836 HA ARG 99 HA ARG 99 6.560 -9.401 8.917 837 HB2 ARG 99 HB2 ARG 99 7.910 -7.379 7.128 838 HB3 ARG 99 HB3 ARG 99 8.749 -7.882 8.589 839 HG2 ARG 99 HG2 ARG 99 7.756 -9.819 6.466 840 HG3 ARG 99 HG3 ARG 99 9.398 -9.164 6.526 841 HD2 ARG 99 HD2 ARG 99 9.711 -10.166 8.774 842 HD3 ARG 99 HD3 ARG 99 8.076 -10.829 8.709 843 HE ARG 99 HE ARG 99 8.979 -12.045 6.622 844 HH11 ARG 99 HH11 ARG 99 10.950 -11.347 9.390 845 HH12 ARG 99 HH12 ARG 99 11.897 -12.776 9.204 846 HH21 ARG 99 HH21 ARG 99 10.208 -13.857 6.408 847 HH22 ARG 99 HH22 ARG 99 11.480 -14.182 7.530 848 H GLU 100 H GLU 100 5.664 -5.994 8.716 849 HA GLU 100 HA GLU 100 6.597 -5.298 11.357 850 HB2 GLU 100 HB2 GLU 100 6.279 -3.689 9.381 851 HB3 GLU 100 HB3 GLU 100 4.549 -3.781 9.678 852 HG2 GLU 100 HG2 GLU 100 5.503 -1.759 10.673 853 HG3 GLU 100 HG3 GLU 100 4.869 -2.829 11.923 854 H LEU 101 H LEU 101 3.631 -6.524 9.946 855 HA LEU 101 HA LEU 101 1.927 -6.304 12.236 856 HB2 LEU 101 HB2 LEU 101 1.755 -8.112 9.799 857 HB3 LEU 101 HB3 LEU 101 0.487 -7.971 11.009 858 HG LEU 101 HG LEU 101 1.457 -5.676 9.257 859 HD11 LEU 101 HD11 LEU 101 0.325 -7.388 7.912 860 HD12 LEU 101 HD12 LEU 101 -0.627 -5.911 8.011 861 HD13 LEU 101 HD13 LEU 101 -1.078 -7.313 8.982 862 HD21 LEU 101 HD21 LEU 101 0.571 -4.901 11.424 863 HD22 LEU 101 HD22 LEU 101 -0.923 -5.801 11.143 864 HD23 LEU 101 HD23 LEU 101 -0.495 -4.448 10.095 865 H ASP 102 H ASP 102 4.215 -8.759 11.119 866 HA ASP 102 HA ASP 102 3.701 -10.878 12.894 867 HB2 ASP 102 HB2 ASP 102 5.312 -11.033 11.036 868 HB3 ASP 102 HB3 ASP 102 6.351 -9.831 11.787 869 H LYS 103 H LYS 103 5.794 -8.037 13.292 870 HA LYS 103 HA LYS 103 6.635 -8.423 15.969 871 HB2 LYS 103 HB2 LYS 103 6.274 -5.746 14.563 872 HB3 LYS 103 HB3 LYS 103 7.383 -6.112 15.884 873 HG2 LYS 103 HG2 LYS 103 8.721 -7.538 14.390 874 HG3 LYS 103 HG3 LYS 103 7.574 -7.256 13.075 875 HD2 LYS 103 HD2 LYS 103 8.099 -4.778 13.278 876 HD3 LYS 103 HD3 LYS 103 9.391 -5.208 14.397 877 HE2 LYS 103 HE2 LYS 103 10.502 -6.505 12.617 878 HE3 LYS 103 HE3 LYS 103 9.186 -6.112 11.504 879 HZ1 LYS 103 HZ1 LYS 103 9.751 -3.768 11.735 880 HZ2 LYS 103 HZ2 LYS 103 11.070 -4.662 11.163 881 HZ3 LYS 103 HZ3 LYS 103 11.030 -4.160 12.776 882 H LYS 104 H LYS 104 3.912 -6.660 14.544 883 HA LYS 104 HA LYS 104 2.793 -5.430 16.785 884 HB2 LYS 104 HB2 LYS 104 1.885 -6.131 14.043 885 HB3 LYS 104 HB3 LYS 104 0.564 -5.998 15.186 886 HG2 LYS 104 HG2 LYS 104 2.628 -3.825 14.703 887 HG3 LYS 104 HG3 LYS 104 1.039 -3.893 13.926 888 HD2 LYS 104 HD2 LYS 104 0.002 -3.893 16.240 889 HD3 LYS 104 HD3 LYS 104 1.610 -3.606 16.907 890 HE2 LYS 104 HE2 LYS 104 1.745 -1.466 15.751 891 HE3 LYS 104 HE3 LYS 104 0.213 -1.774 14.929 892 HZ1 LYS 104 HZ1 LYS 104 0.621 -1.359 17.837 893 HZ2 LYS 104 HZ2 LYS 104 -0.835 -1.875 17.156 894 HZ3 LYS 104 HZ3 LYS 104 -0.218 -0.356 16.763 895 H VAL 105 H VAL 105 2.326 -8.755 15.621 896 HA VAL 105 HA VAL 105 0.344 -9.467 17.578 897 HB VAL 105 HB VAL 105 2.208 -11.290 15.988 898 HG11 VAL 105 HG11 VAL 105 1.285 -12.473 17.934 899 HG12 VAL 105 HG12 VAL 105 0.563 -13.095 16.453 900 HG13 VAL 105 HG13 VAL 105 -0.352 -11.992 17.483 901 HG21 VAL 105 HG21 VAL 105 0.815 -9.930 14.489 902 HG22 VAL 105 HG22 VAL 105 -0.640 -10.422 15.352 903 HG23 VAL 105 HG23 VAL 105 0.291 -11.614 14.444 904 H SER 106 H SER 106 3.865 -9.984 17.319 905 HA SER 106 HA SER 106 5.521 -10.604 18.709 906 HB2 SER 106 HB2 SER 106 3.637 -9.774 20.956 907 HB3 SER 106 HB3 SER 106 5.342 -10.167 21.173 908 HG SER 106 HG SER 106 4.484 -8.170 19.361 909 H GLY 107 H GLY 107 6.180 -12.650 18.963 910 HA2 GLY 107 HA2 GLY 107 6.217 -14.876 19.666 911 HA3 GLY 107 HA3 GLY 107 4.630 -14.681 20.395 912 H SER 108 H SER 108 5.610 -13.996 17.059 913 HA SER 108 HA SER 108 3.500 -15.767 16.003 914 HB2 SER 108 HB2 SER 108 5.190 -13.655 14.590 915 HB3 SER 108 HB3 SER 108 3.810 -14.510 13.901 916 HG SER 108 HG SER 108 3.873 -12.323 15.490 917 H TYR 109 H TYR 109 6.204 -16.697 17.020 918 HA TYR 109 HA TYR 109 7.998 -17.387 14.988 919 HB2 TYR 109 HB2 TYR 109 8.413 -17.408 17.482 920 HB3 TYR 109 HB3 TYR 109 7.473 -18.888 17.598 921 HD1 TYR 109 HD1 TYR 109 10.629 -17.412 16.268 922 HD2 TYR 109 HD2 TYR 109 8.496 -21.043 17.040 923 HE1 TYR 109 HE1 TYR 109 12.681 -18.711 15.881 924 HE2 TYR 109 HE2 TYR 109 10.557 -22.330 16.653 925 HH TYR 109 HH TYR 109 13.602 -20.969 16.593 926 H LEU 110 H LEU 110 7.442 -18.547 13.187 927 HA LEU 110 HA LEU 110 5.419 -20.578 13.110 928 HB2 LEU 110 HB2 LEU 110 7.533 -19.851 11.037 929 HB3 LEU 110 HB3 LEU 110 6.265 -21.034 10.778 930 HG LEU 110 HG LEU 110 4.608 -19.054 11.271 931 HD11 LEU 110 HD11 LEU 110 5.394 -16.822 10.685 932 HD12 LEU 110 HD12 LEU 110 7.045 -17.418 10.517 933 HD13 LEU 110 HD13 LEU 110 6.259 -17.430 12.095 934 HD21 LEU 110 HD21 LEU 110 4.802 -20.143 9.082 935 HD22 LEU 110 HD22 LEU 110 6.177 -19.115 8.670 936 HD23 LEU 110 HD23 LEU 110 4.579 -18.404 8.906 937 H VAL 111 H VAL 111 5.845 -22.294 14.413 938 HA VAL 111 HA VAL 111 8.350 -23.650 14.636 939 HB VAL 111 HB VAL 111 7.035 -25.412 15.866 940 HG11 VAL 111 HG11 VAL 111 7.926 -23.474 17.090 941 HG12 VAL 111 HG12 VAL 111 6.379 -23.967 17.776 942 HG13 VAL 111 HG13 VAL 111 6.466 -22.545 16.734 943 HG21 VAL 111 HG21 VAL 111 4.912 -25.304 14.605 944 HG22 VAL 111 HG22 VAL 111 4.609 -23.677 15.216 945 HG23 VAL 111 HG23 VAL 111 4.620 -25.048 16.327 946 HA PRO 112 HA PRO 112 8.419 -26.093 10.919 947 HB2 PRO 112 HB2 PRO 112 9.801 -28.361 11.729 948 HB3 PRO 112 HB3 PRO 112 10.559 -26.792 11.438 949 HG2 PRO 112 HG2 PRO 112 9.673 -28.010 14.052 950 HG3 PRO 112 HG3 PRO 112 11.193 -27.170 13.668 951 HD2 PRO 112 HD2 PRO 112 9.186 -25.914 14.962 952 HD3 PRO 112 HD3 PRO 112 10.193 -25.047 13.781 953 H ARG 113 H ARG 113 6.548 -26.864 10.137 954 HA ARG 113 HA ARG 113 4.812 -28.714 11.521 955 HB2 ARG 113 HB2 ARG 113 4.681 -27.492 8.729 956 HB3 ARG 113 HB3 ARG 113 3.421 -28.520 9.402 957 HG2 ARG 113 HG2 ARG 113 4.310 -25.874 10.598 958 HG3 ARG 113 HG3 ARG 113 2.907 -26.084 9.548 959 HD2 ARG 113 HD2 ARG 113 3.302 -27.363 12.282 960 HD3 ARG 113 HD3 ARG 113 2.229 -26.009 11.909 961 HE ARG 113 HE ARG 113 1.715 -28.416 10.375 962 HH11 ARG 113 HH11 ARG 113 0.893 -26.713 13.277 963 HH12 ARG 113 HH12 ARG 113 -0.605 -27.554 13.451 964 HH21 ARG 113 HH21 ARG 113 -0.201 -29.446 10.626 965 HH22 ARG 113 HH22 ARG 113 -1.217 -29.069 11.976 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -5.053 7.525 16.822 2 H2 MET 1 H2 MET 1 -3.490 7.625 17.470 3 H3 MET 1 H3 MET 1 -4.756 8.497 18.173 4 HA MET 1 HA MET 1 -4.538 5.545 18.066 5 HB2 MET 1 HB2 MET 1 -4.203 7.458 20.424 6 HB3 MET 1 HB3 MET 1 -4.241 5.704 20.558 7 HG2 MET 1 HG2 MET 1 -2.185 5.568 19.192 8 HG3 MET 1 HG3 MET 1 -2.142 7.327 19.097 9 HE1 MET 1 HE1 MET 1 -1.517 4.949 23.037 10 HE2 MET 1 HE2 MET 1 -1.749 4.173 21.472 11 HE3 MET 1 HE3 MET 1 -3.085 5.041 22.233 12 H GLY 2 H GLY 2 -6.603 4.837 17.701 13 HA2 GLY 2 HA2 GLY 2 -8.985 6.165 18.567 14 HA3 GLY 2 HA3 GLY 2 -8.875 4.532 17.930 15 H SER 3 H SER 3 -9.684 6.291 20.619 16 HA SER 3 HA SER 3 -8.730 4.820 22.824 17 HB2 SER 3 HB2 SER 3 -10.614 5.884 24.077 18 HB3 SER 3 HB3 SER 3 -9.738 7.041 23.076 19 HG SER 3 HG SER 3 -12.121 7.082 23.004 20 H HIS 4 H HIS 4 -11.483 4.257 20.719 21 HA HIS 4 HA HIS 4 -12.621 2.063 22.230 22 HB2 HIS 4 HB2 HIS 4 -13.053 2.867 19.316 23 HB3 HIS 4 HB3 HIS 4 -14.020 1.694 20.200 24 HD1 HIS 4 HD1 HIS 4 -16.220 2.682 20.675 25 HD2 HIS 4 HD2 HIS 4 -13.205 5.529 20.977 26 HE1 HIS 4 HE1 HIS 4 -17.370 4.822 21.307 27 HE2 HIS 4 HE2 HIS 4 -15.552 6.555 21.303 28 H GLN 5 H GLN 5 -11.304 0.226 22.459 29 HA GLN 5 HA GLN 5 -9.541 -0.842 20.493 30 HB2 GLN 5 HB2 GLN 5 -9.520 -1.476 22.930 31 HB3 GLN 5 HB3 GLN 5 -11.020 -2.362 22.686 32 HG2 GLN 5 HG2 GLN 5 -9.783 -3.791 20.980 33 HG3 GLN 5 HG3 GLN 5 -8.298 -2.988 21.494 34 HE21 GLN 5 HE21 GLN 5 -10.794 -5.239 22.398 35 HE22 GLN 5 HE22 GLN 5 -9.980 -5.899 23.766 36 H GLU 6 H GLU 6 -12.945 -1.228 21.126 37 HA GLU 6 HA GLU 6 -13.853 -3.092 19.322 38 HB2 GLU 6 HB2 GLU 6 -15.422 -2.148 20.795 39 HB3 GLU 6 HB3 GLU 6 -14.936 -0.499 20.447 40 HG2 GLU 6 HG2 GLU 6 -16.340 -2.093 18.315 41 HG3 GLU 6 HG3 GLU 6 -17.278 -1.458 19.659 42 H TYR 7 H TYR 7 -13.084 0.308 18.645 43 HA TYR 7 HA TYR 7 -13.615 0.279 15.837 44 HB2 TYR 7 HB2 TYR 7 -13.699 2.346 17.116 45 HB3 TYR 7 HB3 TYR 7 -12.030 2.163 17.626 46 HD1 TYR 7 HD1 TYR 7 -14.140 2.705 14.568 47 HD2 TYR 7 HD2 TYR 7 -10.302 3.238 16.380 48 HE1 TYR 7 HE1 TYR 7 -13.441 4.123 12.686 49 HE2 TYR 7 HE2 TYR 7 -9.604 4.657 14.495 50 HH TYR 7 HH TYR 7 -10.222 4.999 12.113 51 H ILE 8 H ILE 8 -10.604 0.058 17.758 52 HA ILE 8 HA ILE 8 -8.720 0.051 15.681 53 HB ILE 8 HB ILE 8 -8.533 -1.196 18.457 54 HG12 ILE 8 HG12 ILE 8 -8.908 1.247 18.490 55 HG13 ILE 8 HG13 ILE 8 -7.289 0.872 19.063 56 HG21 ILE 8 HG21 ILE 8 -6.824 -2.253 17.054 57 HG22 ILE 8 HG22 ILE 8 -6.061 -1.158 18.206 58 HG23 ILE 8 HG23 ILE 8 -6.244 -0.673 16.519 59 HD11 ILE 8 HD11 ILE 8 -7.281 2.836 17.660 60 HD12 ILE 8 HD12 ILE 8 -8.006 1.939 16.328 61 HD13 ILE 8 HD13 ILE 8 -6.375 1.542 16.878 62 H LYS 9 H LYS 9 -10.445 -2.700 17.164 63 HA LYS 9 HA LYS 9 -9.119 -4.858 15.997 64 HB2 LYS 9 HB2 LYS 9 -10.835 -5.119 17.766 65 HB3 LYS 9 HB3 LYS 9 -12.087 -4.599 16.648 66 HG2 LYS 9 HG2 LYS 9 -11.632 -6.595 15.238 67 HG3 LYS 9 HG3 LYS 9 -10.432 -7.143 16.401 68 HD2 LYS 9 HD2 LYS 9 -13.393 -6.743 17.004 69 HD3 LYS 9 HD3 LYS 9 -12.658 -8.297 16.605 70 HE2 LYS 9 HE2 LYS 9 -11.272 -8.184 18.617 71 HE3 LYS 9 HE3 LYS 9 -11.907 -6.584 18.995 72 HZ1 LYS 9 HZ1 LYS 9 -12.963 -8.363 20.284 73 HZ2 LYS 9 HZ2 LYS 9 -13.542 -9.062 18.856 74 HZ3 LYS 9 HZ3 LYS 9 -14.085 -7.530 19.327 75 H LYS 10 H LYS 10 -11.917 -3.021 14.764 76 HA LYS 10 HA LYS 10 -12.328 -4.425 12.350 77 HB2 LYS 10 HB2 LYS 10 -12.928 -1.497 12.960 78 HB3 LYS 10 HB3 LYS 10 -13.618 -2.427 11.629 79 HG2 LYS 10 HG2 LYS 10 -14.745 -3.913 13.237 80 HG3 LYS 10 HG3 LYS 10 -14.039 -3.007 14.581 81 HD2 LYS 10 HD2 LYS 10 -15.261 -0.982 13.865 82 HD3 LYS 10 HD3 LYS 10 -15.953 -1.862 12.499 83 HE2 LYS 10 HE2 LYS 10 -17.570 -1.668 14.340 84 HE3 LYS 10 HE3 LYS 10 -17.138 -3.357 14.072 85 HZ1 LYS 10 HZ1 LYS 10 -17.197 -2.786 16.418 86 HZ2 LYS 10 HZ2 LYS 10 -16.007 -1.607 16.191 87 HZ3 LYS 10 HZ3 LYS 10 -15.637 -3.241 15.953 88 H VAL 11 H VAL 11 -10.603 -1.361 12.933 89 HA VAL 11 HA VAL 11 -9.846 -0.762 10.299 90 HB VAL 11 HB VAL 11 -8.584 0.149 12.927 91 HG11 VAL 11 HG11 VAL 11 -7.045 0.637 11.079 92 HG12 VAL 11 HG12 VAL 11 -7.758 2.132 11.682 93 HG13 VAL 11 HG13 VAL 11 -8.341 1.423 10.174 94 HG21 VAL 11 HG21 VAL 11 -10.051 2.137 12.698 95 HG22 VAL 11 HG22 VAL 11 -10.991 0.649 12.802 96 HG23 VAL 11 HG23 VAL 11 -10.767 1.441 11.241 97 H THR 12 H THR 12 -8.134 -2.620 12.780 98 HA THR 12 HA THR 12 -5.648 -2.977 11.504 99 HB THR 12 HB THR 12 -7.083 -4.894 13.398 100 HG1 THR 12 HG1 THR 12 -6.586 -3.426 14.821 101 HG21 THR 12 HG21 THR 12 -4.832 -5.796 13.923 102 HG22 THR 12 HG22 THR 12 -4.123 -4.769 12.677 103 HG23 THR 12 HG23 THR 12 -5.237 -6.061 12.225 104 H ASP 13 H ASP 13 -8.626 -4.967 11.345 105 HA ASP 13 HA ASP 13 -7.507 -6.889 9.530 106 HB2 ASP 13 HB2 ASP 13 -10.390 -6.399 10.350 107 HB3 ASP 13 HB3 ASP 13 -9.844 -7.773 9.389 108 H GLU 14 H GLU 14 -9.355 -3.897 9.056 109 HA GLU 14 HA GLU 14 -10.040 -4.131 6.341 110 HB2 GLU 14 HB2 GLU 14 -9.044 -1.579 7.686 111 HB3 GLU 14 HB3 GLU 14 -10.028 -1.675 6.237 112 HG2 GLU 14 HG2 GLU 14 -10.850 -2.334 9.054 113 HG3 GLU 14 HG3 GLU 14 -11.410 -0.991 8.078 114 H LEU 15 H LEU 15 -7.012 -3.198 7.869 115 HA LEU 15 HA LEU 15 -5.475 -2.521 5.621 116 HB2 LEU 15 HB2 LEU 15 -4.850 -1.858 7.842 117 HB3 LEU 15 HB3 LEU 15 -4.745 -3.516 8.391 118 HG LEU 15 HG LEU 15 -2.824 -2.593 6.239 119 HD11 LEU 15 HD11 LEU 15 -1.227 -1.781 7.927 120 HD12 LEU 15 HD12 LEU 15 -2.438 -1.994 9.194 121 HD13 LEU 15 HD13 LEU 15 -2.694 -0.803 7.918 122 HD21 LEU 15 HD21 LEU 15 -2.828 -4.974 6.872 123 HD22 LEU 15 HD22 LEU 15 -2.540 -4.542 8.557 124 HD23 LEU 15 HD23 LEU 15 -1.308 -4.207 7.337 125 H LYS 16 H LYS 16 -6.179 -5.742 7.012 126 HA LYS 16 HA LYS 16 -4.249 -7.249 5.537 127 HB2 LYS 16 HB2 LYS 16 -6.885 -8.064 6.807 128 HB3 LYS 16 HB3 LYS 16 -5.937 -9.208 5.878 129 HG2 LYS 16 HG2 LYS 16 -5.511 -9.541 8.222 130 HG3 LYS 16 HG3 LYS 16 -4.045 -8.935 7.443 131 HD2 LYS 16 HD2 LYS 16 -4.363 -6.739 8.377 132 HD3 LYS 16 HD3 LYS 16 -5.986 -7.146 8.934 133 HE2 LYS 16 HE2 LYS 16 -3.398 -8.313 9.989 134 HE3 LYS 16 HE3 LYS 16 -4.413 -7.121 10.799 135 HZ1 LYS 16 HZ1 LYS 16 -5.170 -9.917 10.149 136 HZ2 LYS 16 HZ2 LYS 16 -6.197 -8.777 10.862 137 HZ3 LYS 16 HZ3 LYS 16 -4.815 -9.301 11.682 138 H GLU 17 H GLU 17 -7.694 -6.580 4.858 139 HA GLU 17 HA GLU 17 -7.924 -7.792 2.321 140 HB2 GLU 17 HB2 GLU 17 -9.362 -5.311 3.339 141 HB3 GLU 17 HB3 GLU 17 -9.872 -6.295 1.969 142 HG2 GLU 17 HG2 GLU 17 -10.295 -8.189 3.482 143 HG3 GLU 17 HG3 GLU 17 -9.751 -7.226 4.856 144 H LEU 18 H LEU 18 -6.730 -4.691 3.320 145 HA LEU 18 HA LEU 18 -6.561 -3.398 0.814 146 HB2 LEU 18 HB2 LEU 18 -6.211 -2.732 3.518 147 HB3 LEU 18 HB3 LEU 18 -4.594 -2.561 2.877 148 HG LEU 18 HG LEU 18 -5.252 -0.804 1.384 149 HD11 LEU 18 HD11 LEU 18 -7.590 -0.091 1.089 150 HD12 LEU 18 HD12 LEU 18 -8.133 -1.467 2.059 151 HD13 LEU 18 HD13 LEU 18 -7.309 -1.733 0.517 152 HD21 LEU 18 HD21 LEU 18 -6.755 -0.342 3.988 153 HD22 LEU 18 HD22 LEU 18 -6.129 0.891 2.889 154 HD23 LEU 18 HD23 LEU 18 -5.014 -0.144 3.771 155 H ILE 19 H ILE 19 -4.087 -5.104 2.760 156 HA ILE 19 HA ILE 19 -1.891 -5.047 1.013 157 HB ILE 19 HB ILE 19 -2.804 -7.100 3.081 158 HG12 ILE 19 HG12 ILE 19 -0.534 -5.059 3.195 159 HG13 ILE 19 HG13 ILE 19 -2.126 -4.838 3.914 160 HG21 ILE 19 HG21 ILE 19 -0.567 -8.151 3.050 161 HG22 ILE 19 HG22 ILE 19 -0.124 -7.168 1.656 162 HG23 ILE 19 HG23 ILE 19 -1.411 -8.365 1.514 163 HD11 ILE 19 HD11 ILE 19 -0.461 -5.463 5.572 164 HD12 ILE 19 HD12 ILE 19 -0.121 -6.959 4.703 165 HD13 ILE 19 HD13 ILE 19 -1.708 -6.701 5.437 166 H GLN 20 H GLN 20 -4.385 -7.579 1.333 167 HA GLN 20 HA GLN 20 -3.571 -9.369 -0.647 168 HB2 GLN 20 HB2 GLN 20 -5.274 -9.869 1.072 169 HB3 GLN 20 HB3 GLN 20 -6.388 -8.727 0.330 170 HG2 GLN 20 HG2 GLN 20 -6.451 -10.175 -1.706 171 HG3 GLN 20 HG3 GLN 20 -5.409 -11.334 -0.877 172 HE21 GLN 20 HE21 GLN 20 -6.981 -12.970 -0.994 173 HE22 GLN 20 HE22 GLN 20 -8.414 -12.944 -0.026 174 H ASN 21 H ASN 21 -5.860 -6.648 -0.904 175 HA ASN 21 HA ASN 21 -6.631 -7.069 -3.606 176 HB2 ASN 21 HB2 ASN 21 -7.977 -5.772 -1.940 177 HB3 ASN 21 HB3 ASN 21 -6.776 -4.489 -1.986 178 HD21 ASN 21 HD21 ASN 21 -7.855 -6.237 -4.883 179 HD22 ASN 21 HD22 ASN 21 -8.680 -4.898 -5.579 180 H VAL 22 H VAL 22 -4.189 -4.890 -2.132 181 HA VAL 22 HA VAL 22 -3.225 -3.658 -4.466 182 HB VAL 22 HB VAL 22 -1.804 -4.269 -1.835 183 HG11 VAL 22 HG11 VAL 22 -0.032 -4.157 -3.506 184 HG12 VAL 22 HG12 VAL 22 -0.011 -2.680 -2.549 185 HG13 VAL 22 HG13 VAL 22 -0.701 -2.667 -4.181 186 HG21 VAL 22 HG21 VAL 22 -3.601 -2.588 -1.721 187 HG22 VAL 22 HG22 VAL 22 -2.840 -1.663 -3.016 188 HG23 VAL 22 HG23 VAL 22 -2.027 -1.834 -1.459 189 H ASN 23 H ASN 23 -2.115 -6.741 -2.931 190 HA ASN 23 HA ASN 23 -0.097 -7.399 -4.770 191 HB2 ASN 23 HB2 ASN 23 -1.869 -9.180 -3.057 192 HB3 ASN 23 HB3 ASN 23 -0.698 -9.876 -4.164 193 HD21 ASN 23 HD21 ASN 23 -1.132 -8.373 -1.110 194 HD22 ASN 23 HD22 ASN 23 0.525 -8.405 -0.623 195 H ASP 24 H ASP 24 -3.594 -8.220 -4.909 196 HA ASP 24 HA ASP 24 -3.569 -9.662 -7.321 197 HB2 ASP 24 HB2 ASP 24 -5.736 -8.134 -5.864 198 HB3 ASP 24 HB3 ASP 24 -6.079 -8.873 -7.422 199 H ASP 25 H ASP 25 -3.995 -6.170 -6.808 200 HA ASP 25 HA ASP 25 -4.391 -5.479 -9.543 201 HB2 ASP 25 HB2 ASP 25 -3.605 -3.906 -7.074 202 HB3 ASP 25 HB3 ASP 25 -3.725 -3.117 -8.640 203 H ILE 26 H ILE 26 -1.461 -5.685 -7.523 204 HA ILE 26 HA ILE 26 0.385 -4.607 -9.389 205 HB ILE 26 HB ILE 26 0.772 -6.425 -6.983 206 HG12 ILE 26 HG12 ILE 26 1.504 -3.505 -7.487 207 HG13 ILE 26 HG13 ILE 26 0.152 -4.077 -6.519 208 HG21 ILE 26 HG21 ILE 26 3.226 -6.107 -7.132 209 HG22 ILE 26 HG22 ILE 26 3.026 -5.323 -8.698 210 HG23 ILE 26 HG23 ILE 26 2.602 -7.024 -8.504 211 HD11 ILE 26 HD11 ILE 26 3.076 -4.437 -5.879 212 HD12 ILE 26 HD12 ILE 26 1.728 -5.039 -4.909 213 HD13 ILE 26 HD13 ILE 26 1.956 -3.304 -5.123 214 H LYS 27 H LYS 27 -0.809 -7.946 -8.913 215 HA LYS 27 HA LYS 27 0.845 -9.397 -10.637 216 HB2 LYS 27 HB2 LYS 27 -2.164 -9.726 -10.276 217 HB3 LYS 27 HB3 LYS 27 -1.098 -10.938 -10.984 218 HG2 LYS 27 HG2 LYS 27 0.028 -11.262 -8.859 219 HG3 LYS 27 HG3 LYS 27 -0.863 -9.923 -8.139 220 HD2 LYS 27 HD2 LYS 27 -2.995 -11.216 -8.541 221 HD3 LYS 27 HD3 LYS 27 -2.005 -12.582 -9.066 222 HE2 LYS 27 HE2 LYS 27 -0.958 -12.684 -6.837 223 HE3 LYS 27 HE3 LYS 27 -1.902 -11.285 -6.316 224 HZ1 LYS 27 HZ1 LYS 27 -2.902 -13.318 -5.546 225 HZ2 LYS 27 HZ2 LYS 27 -2.982 -13.929 -7.121 226 HZ3 LYS 27 HZ3 LYS 27 -3.920 -12.590 -6.687 227 H GLU 28 H GLU 28 -2.041 -7.490 -11.408 228 HA GLU 28 HA GLU 28 -2.083 -8.009 -14.212 229 HB2 GLU 28 HB2 GLU 28 -3.383 -5.821 -12.553 230 HB3 GLU 28 HB3 GLU 28 -3.709 -6.084 -14.265 231 HG2 GLU 28 HG2 GLU 28 -4.195 -8.161 -12.100 232 HG3 GLU 28 HG3 GLU 28 -5.424 -7.048 -12.701 233 H VAL 29 H VAL 29 -0.544 -5.473 -12.236 234 HA VAL 29 HA VAL 29 0.372 -3.941 -14.501 235 HB VAL 29 HB VAL 29 1.703 -3.883 -11.766 236 HG11 VAL 29 HG11 VAL 29 2.860 -2.739 -13.619 237 HG12 VAL 29 HG12 VAL 29 2.279 -1.591 -12.428 238 HG13 VAL 29 HG13 VAL 29 1.412 -1.783 -13.946 239 HG21 VAL 29 HG21 VAL 29 -0.685 -3.539 -11.330 240 HG22 VAL 29 HG22 VAL 29 -0.769 -2.302 -12.585 241 HG23 VAL 29 HG23 VAL 29 0.192 -2.017 -11.127 242 H GLU 30 H GLU 30 1.700 -6.660 -12.672 243 HA GLU 30 HA GLU 30 4.329 -6.656 -13.727 244 HB2 GLU 30 HB2 GLU 30 2.635 -8.914 -12.593 245 HB3 GLU 30 HB3 GLU 30 4.311 -9.130 -13.088 246 HG2 GLU 30 HG2 GLU 30 4.945 -7.311 -11.440 247 HG3 GLU 30 HG3 GLU 30 3.280 -7.335 -10.861 248 H LYS 31 H LYS 31 1.289 -7.616 -15.059 249 HA LYS 31 HA LYS 31 2.351 -8.788 -17.499 250 HB2 LYS 31 HB2 LYS 31 -0.442 -7.743 -16.852 251 HB3 LYS 31 HB3 LYS 31 -0.013 -8.774 -18.222 252 HG2 LYS 31 HG2 LYS 31 0.487 -10.614 -16.776 253 HG3 LYS 31 HG3 LYS 31 0.392 -9.590 -15.346 254 HD2 LYS 31 HD2 LYS 31 -1.615 -10.973 -15.491 255 HD3 LYS 31 HD3 LYS 31 -2.032 -9.276 -15.722 256 HE2 LYS 31 HE2 LYS 31 -2.102 -9.672 -18.193 257 HE3 LYS 31 HE3 LYS 31 -1.782 -11.384 -17.897 258 HZ1 LYS 31 HZ1 LYS 31 -4.123 -11.021 -18.177 259 HZ2 LYS 31 HZ2 LYS 31 -4.140 -9.846 -16.961 260 HZ3 LYS 31 HZ3 LYS 31 -3.827 -11.459 -16.570 261 H ASN 32 H ASN 32 0.836 -5.709 -16.497 262 HA ASN 32 HA ASN 32 1.710 -4.408 -18.999 263 HB2 ASN 32 HB2 ASN 32 -0.870 -3.731 -17.519 264 HB3 ASN 32 HB3 ASN 32 -0.352 -3.114 -19.088 265 HD21 ASN 32 HD21 ASN 32 -1.651 -5.842 -17.375 266 HD22 ASN 32 HD22 ASN 32 -2.162 -6.731 -18.761 267 HA PRO 33 HA PRO 33 3.754 -2.259 -15.399 268 HB2 PRO 33 HB2 PRO 33 5.751 -1.003 -16.867 269 HB3 PRO 33 HB3 PRO 33 5.845 -2.676 -16.300 270 HG2 PRO 33 HG2 PRO 33 5.015 -1.637 -19.010 271 HG3 PRO 33 HG3 PRO 33 6.110 -2.983 -18.615 272 HD2 PRO 33 HD2 PRO 33 3.559 -3.443 -19.337 273 HD3 PRO 33 HD3 PRO 33 4.341 -4.436 -18.089 274 H GLU 34 H GLU 34 2.844 -0.718 -18.441 275 HA GLU 34 HA GLU 34 2.846 2.000 -17.378 276 HB2 GLU 34 HB2 GLU 34 2.033 0.916 -20.107 277 HB3 GLU 34 HB3 GLU 34 2.267 2.618 -19.705 278 HG2 GLU 34 HG2 GLU 34 4.633 2.339 -19.467 279 HG3 GLU 34 HG3 GLU 34 4.499 0.581 -19.462 280 H ASP 35 H ASP 35 0.712 -0.372 -16.797 281 HA ASP 35 HA ASP 35 -1.779 0.808 -17.641 282 HB2 ASP 35 HB2 ASP 35 -1.311 -1.708 -17.096 283 HB3 ASP 35 HB3 ASP 35 -1.565 -1.255 -15.413 284 H MET 36 H MET 36 -1.909 2.870 -16.896 285 HA MET 36 HA MET 36 -1.118 3.751 -14.313 286 HB2 MET 36 HB2 MET 36 -2.875 5.190 -16.326 287 HB3 MET 36 HB3 MET 36 -2.028 5.919 -14.983 288 HG2 MET 36 HG2 MET 36 -0.605 4.527 -17.266 289 HG3 MET 36 HG3 MET 36 -0.979 6.247 -17.256 290 HE1 MET 36 HE1 MET 36 2.314 4.226 -14.688 291 HE2 MET 36 HE2 MET 36 1.457 3.442 -16.014 292 HE3 MET 36 HE3 MET 36 0.644 3.707 -14.469 293 H GLU 37 H GLU 37 -4.265 2.908 -15.691 294 HA GLU 37 HA GLU 37 -5.945 3.699 -13.589 295 HB2 GLU 37 HB2 GLU 37 -6.186 1.626 -15.775 296 HB3 GLU 37 HB3 GLU 37 -7.431 1.722 -14.539 297 HG2 GLU 37 HG2 GLU 37 -8.032 2.970 -16.582 298 HG3 GLU 37 HG3 GLU 37 -7.982 3.993 -15.152 299 H TYR 38 H TYR 38 -4.241 0.567 -14.027 300 HA TYR 38 HA TYR 38 -5.157 -0.523 -11.533 301 HB2 TYR 38 HB2 TYR 38 -3.158 -1.392 -13.600 302 HB3 TYR 38 HB3 TYR 38 -3.012 -2.101 -11.995 303 HD1 TYR 38 HD1 TYR 38 -4.781 -3.577 -11.110 304 HD2 TYR 38 HD2 TYR 38 -5.129 -1.895 -15.012 305 HE1 TYR 38 HE1 TYR 38 -6.600 -5.145 -11.628 306 HE2 TYR 38 HE2 TYR 38 -6.935 -3.463 -15.539 307 HH TYR 38 HH TYR 38 -8.493 -5.337 -13.164 308 H TRP 39 H TRP 39 -2.466 1.589 -12.347 309 HA TRP 39 HA TRP 39 -1.309 1.428 -9.717 310 HB2 TRP 39 HB2 TRP 39 -0.877 3.297 -12.055 311 HB3 TRP 39 HB3 TRP 39 -0.188 3.682 -10.481 312 HD1 TRP 39 HD1 TRP 39 0.972 2.186 -13.508 313 HE1 TRP 39 HE1 TRP 39 2.841 0.474 -13.126 314 HE3 TRP 39 HE3 TRP 39 0.392 1.423 -8.469 315 HZ2 TRP 39 HZ2 TRP 39 3.897 -1.039 -10.995 316 HZ3 TRP 39 HZ3 TRP 39 1.867 -0.192 -7.344 317 HH2 TRP 39 HH2 TRP 39 3.591 -1.399 -8.588 318 H ASN 40 H ASN 40 -3.902 3.427 -11.096 319 HA ASN 40 HA ASN 40 -4.147 5.163 -8.814 320 HB2 ASN 40 HB2 ASN 40 -6.188 4.479 -10.972 321 HB3 ASN 40 HB3 ASN 40 -6.474 5.660 -9.695 322 HD21 ASN 40 HD21 ASN 40 -4.971 5.089 -12.713 323 HD22 ASN 40 HD22 ASN 40 -4.283 6.643 -12.907 324 H LYS 41 H LYS 41 -5.508 2.038 -9.709 325 HA LYS 41 HA LYS 41 -7.287 1.448 -7.646 326 HB2 LYS 41 HB2 LYS 41 -5.144 -0.306 -8.922 327 HB3 LYS 41 HB3 LYS 41 -6.313 -0.956 -7.789 328 HG2 LYS 41 HG2 LYS 41 -7.232 0.441 -10.305 329 HG3 LYS 41 HG3 LYS 41 -6.689 -1.239 -10.344 330 HD2 LYS 41 HD2 LYS 41 -8.401 -1.641 -8.441 331 HD3 LYS 41 HD3 LYS 41 -9.071 -0.065 -8.880 332 HE2 LYS 41 HE2 LYS 41 -9.588 -0.852 -11.114 333 HE3 LYS 41 HE3 LYS 41 -8.715 -2.359 -10.841 334 HZ1 LYS 41 HZ1 LYS 41 -11.073 -2.696 -10.643 335 HZ2 LYS 41 HZ2 LYS 41 -11.190 -1.503 -9.448 336 HZ3 LYS 41 HZ3 LYS 41 -10.335 -2.929 -9.139 337 H ILE 42 H ILE 42 -3.787 0.900 -7.652 338 HA ILE 42 HA ILE 42 -3.567 0.061 -4.936 339 HB ILE 42 HB ILE 42 -1.462 0.889 -6.984 340 HG12 ILE 42 HG12 ILE 42 -2.315 -1.922 -6.144 341 HG13 ILE 42 HG13 ILE 42 -3.010 -1.085 -7.527 342 HG21 ILE 42 HG21 ILE 42 -0.484 1.040 -4.727 343 HG22 ILE 42 HG22 ILE 42 0.199 -0.324 -5.613 344 HG23 ILE 42 HG23 ILE 42 -1.022 -0.605 -4.369 345 HD11 ILE 42 HD11 ILE 42 -0.834 -1.042 -8.607 346 HD12 ILE 42 HD12 ILE 42 -1.320 -2.685 -8.191 347 HD13 ILE 42 HD13 ILE 42 -0.115 -1.850 -7.212 348 H TYR 43 H TYR 43 -3.060 3.160 -6.580 349 HA TYR 43 HA TYR 43 -1.659 4.580 -4.594 350 HB2 TYR 43 HB2 TYR 43 -2.041 5.247 -7.045 351 HB3 TYR 43 HB3 TYR 43 -3.634 5.812 -6.563 352 HD1 TYR 43 HD2 TYR 43 0.010 6.375 -6.175 353 HD2 TYR 43 HD1 TYR 43 -3.877 7.980 -5.414 354 HE1 TYR 43 HE2 TYR 43 1.011 8.524 -5.574 355 HE2 TYR 43 HE1 TYR 43 -2.857 10.143 -4.813 356 HH TYR 43 HH TYR 43 0.283 10.945 -5.581 357 H ARG 44 H ARG 44 -5.146 4.264 -5.187 358 HA ARG 44 HA ARG 44 -6.065 5.970 -3.092 359 HB2 ARG 44 HB2 ARG 44 -7.455 3.741 -4.628 360 HB3 ARG 44 HB3 ARG 44 -8.290 4.809 -3.501 361 HG2 ARG 44 HG2 ARG 44 -7.757 6.754 -4.902 362 HG3 ARG 44 HG3 ARG 44 -6.830 5.735 -6.006 363 HD2 ARG 44 HD2 ARG 44 -9.815 5.460 -5.475 364 HD3 ARG 44 HD3 ARG 44 -9.111 6.308 -6.851 365 HE ARG 44 HE ARG 44 -8.057 4.028 -7.377 366 HH11 ARG 44 HH11 ARG 44 -11.146 4.307 -5.858 367 HH12 ARG 44 HH12 ARG 44 -11.743 2.864 -6.582 368 HH21 ARG 44 HH21 ARG 44 -8.865 2.174 -8.298 369 HH22 ARG 44 HH22 ARG 44 -10.480 1.679 -7.933 370 H LEU 45 H LEU 45 -5.383 2.491 -3.246 371 HA LEU 45 HA LEU 45 -6.433 1.781 -0.686 372 HB2 LEU 45 HB2 LEU 45 -4.280 0.379 -2.312 373 HB3 LEU 45 HB3 LEU 45 -5.160 -0.324 -0.961 374 HG LEU 45 HG LEU 45 -6.403 0.511 -3.609 375 HD11 LEU 45 HD11 LEU 45 -5.790 -2.276 -2.594 376 HD12 LEU 45 HD12 LEU 45 -4.953 -1.427 -3.896 377 HD13 LEU 45 HD13 LEU 45 -6.646 -1.875 -4.086 378 HD21 LEU 45 HD21 LEU 45 -8.436 -0.617 -2.834 379 HD22 LEU 45 HD22 LEU 45 -8.007 0.719 -1.772 380 HD23 LEU 45 HD23 LEU 45 -7.682 -0.944 -1.271 381 H VAL 46 H VAL 46 -3.171 2.692 -1.790 382 HA VAL 46 HA VAL 46 -1.817 2.360 0.701 383 HB VAL 46 HB VAL 46 -1.058 3.975 -1.775 384 HG11 VAL 46 HG11 VAL 46 0.676 3.317 0.638 385 HG12 VAL 46 HG12 VAL 46 0.113 4.921 0.169 386 HG13 VAL 46 HG13 VAL 46 1.250 4.055 -0.862 387 HG21 VAL 46 HG21 VAL 46 -0.093 1.252 -0.799 388 HG22 VAL 46 HG22 VAL 46 0.485 2.089 -2.243 389 HG23 VAL 46 HG23 VAL 46 -1.188 1.536 -2.156 390 H HIS 47 H HIS 47 -3.379 5.138 -0.861 391 HA HIS 47 HA HIS 47 -2.901 7.187 0.985 392 HB2 HIS 47 HB2 HIS 47 -4.065 7.502 -1.197 393 HB3 HIS 47 HB3 HIS 47 -5.465 6.631 -0.585 394 HD1 HIS 47 HD1 HIS 47 -6.718 7.891 1.524 395 HD2 HIS 47 HD2 HIS 47 -4.132 10.199 -0.770 396 HE1 HIS 47 HE1 HIS 47 -7.308 10.269 2.030 397 HE2 HIS 47 HE2 HIS 47 -5.647 11.638 0.745 398 H THR 48 H THR 48 -5.398 4.663 0.968 399 HA THR 48 HA THR 48 -6.699 5.348 3.393 400 HB THR 48 HB THR 48 -6.621 2.665 1.950 401 HG1 THR 48 HG1 THR 48 -8.606 4.710 1.845 402 HG21 THR 48 HG21 THR 48 -8.767 2.193 3.108 403 HG22 THR 48 HG22 THR 48 -8.588 3.681 4.039 404 HG23 THR 48 HG23 THR 48 -7.431 2.365 4.255 405 H MET 49 H MET 49 -3.981 3.107 2.696 406 HA MET 49 HA MET 49 -3.707 1.924 5.260 407 HB2 MET 49 HB2 MET 49 -1.550 2.497 3.171 408 HB3 MET 49 HB3 MET 49 -1.324 1.451 4.572 409 HG2 MET 49 HG2 MET 49 -3.007 -0.076 3.730 410 HG3 MET 49 HG3 MET 49 -3.338 0.996 2.376 411 HE1 MET 49 HE1 MET 49 -1.666 -1.973 0.565 412 HE2 MET 49 HE2 MET 49 -3.094 -0.938 0.702 413 HE3 MET 49 HE3 MET 49 -2.710 -2.094 1.980 414 H LYS 50 H LYS 50 -2.377 4.897 3.896 415 HA LYS 50 HA LYS 50 -0.598 5.637 5.944 416 HB2 LYS 50 HB2 LYS 50 -0.611 6.634 3.671 417 HB3 LYS 50 HB3 LYS 50 -2.149 7.411 4.013 418 HG2 LYS 50 HG2 LYS 50 -1.054 8.734 5.816 419 HG3 LYS 50 HG3 LYS 50 0.490 7.983 5.403 420 HD2 LYS 50 HD2 LYS 50 0.436 9.015 3.181 421 HD3 LYS 50 HD3 LYS 50 -1.174 9.672 3.493 422 HE2 LYS 50 HE2 LYS 50 1.355 10.417 5.008 423 HE3 LYS 50 HE3 LYS 50 0.583 11.388 3.752 424 HZ1 LYS 50 HZ1 LYS 50 -0.636 10.649 6.362 425 HZ2 LYS 50 HZ2 LYS 50 -1.382 11.564 5.156 426 HZ3 LYS 50 HZ3 LYS 50 -0.018 12.168 5.947 427 H GLU 51 H GLU 51 -3.960 6.746 5.343 428 HA GLU 51 HA GLU 51 -4.173 8.269 7.746 429 HB2 GLU 51 HB2 GLU 51 -6.553 8.524 7.200 430 HB3 GLU 51 HB3 GLU 51 -5.548 8.775 5.779 431 HG2 GLU 51 HG2 GLU 51 -6.074 6.390 5.113 432 HG3 GLU 51 HG3 GLU 51 -7.253 6.360 6.423 433 H ILE 52 H ILE 52 -4.947 4.879 7.032 434 HA ILE 52 HA ILE 52 -6.302 4.159 9.414 435 HB ILE 52 HB ILE 52 -4.644 2.614 7.391 436 HG12 ILE 52 HG12 ILE 52 -7.537 2.355 8.307 437 HG13 ILE 52 HG13 ILE 52 -6.986 3.131 6.831 438 HG21 ILE 52 HG21 ILE 52 -3.963 1.499 9.452 439 HG22 ILE 52 HG22 ILE 52 -5.027 0.443 8.527 440 HG23 ILE 52 HG23 ILE 52 -5.645 1.301 9.939 441 HD11 ILE 52 HD11 ILE 52 -6.772 0.185 7.473 442 HD12 ILE 52 HD12 ILE 52 -6.223 0.962 5.985 443 HD13 ILE 52 HD13 ILE 52 -7.938 0.944 6.389 444 H THR 53 H THR 53 -2.770 3.966 8.710 445 HA THR 53 HA THR 53 -2.095 3.069 11.333 446 HB THR 53 HB THR 53 -0.605 2.520 9.500 447 HG1 THR 53 HG1 THR 53 0.633 4.236 11.346 448 HG21 THR 53 HG21 THR 53 0.868 4.174 8.435 449 HG22 THR 53 HG22 THR 53 0.051 5.466 9.316 450 HG23 THR 53 HG23 THR 53 -0.827 4.541 8.097 451 H GLU 54 H GLU 54 -2.383 6.301 9.915 452 HA GLU 54 HA GLU 54 -1.216 7.763 12.087 453 HB2 GLU 54 HB2 GLU 54 -3.185 8.606 9.926 454 HB3 GLU 54 HB3 GLU 54 -2.503 9.736 11.093 455 HG2 GLU 54 HG2 GLU 54 -0.251 9.252 10.254 456 HG3 GLU 54 HG3 GLU 54 -0.899 8.084 9.111 457 H THR 55 H THR 55 -4.566 6.666 11.431 458 HA THR 55 HA THR 55 -5.707 7.879 13.792 459 HB THR 55 HB THR 55 -7.679 6.312 13.375 460 HG1 THR 55 HG1 THR 55 -6.574 5.666 10.888 461 HG21 THR 55 HG21 THR 55 -7.670 8.583 12.407 462 HG22 THR 55 HG22 THR 55 -8.453 7.433 11.322 463 HG23 THR 55 HG23 THR 55 -6.808 7.978 10.990 464 H MET 56 H MET 56 -4.037 4.857 13.173 465 HA MET 56 HA MET 56 -4.504 3.697 15.785 466 HB2 MET 56 HB2 MET 56 -2.352 3.148 13.699 467 HB3 MET 56 HB3 MET 56 -2.519 2.229 15.190 468 HG2 MET 56 HG2 MET 56 -4.743 1.465 14.470 469 HG3 MET 56 HG3 MET 56 -4.572 2.388 12.969 470 HE1 MET 56 HE1 MET 56 -4.167 -1.412 11.906 471 HE2 MET 56 HE2 MET 56 -5.149 0.042 11.725 472 HE3 MET 56 HE3 MET 56 -5.143 -0.837 13.256 473 H GLY 57 H GLY 57 -2.228 6.018 14.460 474 HA2 GLY 57 HA2 GLY 57 -1.174 7.638 15.911 475 HA3 GLY 57 HA3 GLY 57 -0.972 6.392 17.130 476 H PHE 58 H PHE 58 -0.178 4.845 14.340 477 HA PHE 58 HA PHE 58 2.688 5.048 14.812 478 HB2 PHE 58 HB2 PHE 58 1.005 3.351 12.943 479 HB3 PHE 58 HB3 PHE 58 2.745 3.230 13.009 480 HD1 PHE 58 HD2 PHE 58 3.824 2.437 15.199 481 HD2 PHE 58 HD1 PHE 58 -0.384 2.169 14.479 482 HE1 PHE 58 HE2 PHE 58 3.625 0.718 16.953 483 HE2 PHE 58 HE1 PHE 58 -0.576 0.448 16.228 484 HZ PHE 58 HZ PHE 58 1.433 -0.279 17.468 485 H SER 59 H SER 59 2.776 7.366 14.105 486 HA SER 59 HA SER 59 2.407 8.252 11.446 487 HB2 SER 59 HB2 SER 59 4.353 9.293 13.547 488 HB3 SER 59 HB3 SER 59 3.869 10.154 12.081 489 HG SER 59 HG SER 59 1.760 10.220 12.859 490 H SER 60 H SER 60 5.014 6.503 12.922 491 HA SER 60 HA SER 60 7.121 6.814 11.100 492 HB2 SER 60 HB2 SER 60 7.924 4.615 12.056 493 HB3 SER 60 HB3 SER 60 7.458 5.791 13.284 494 HG SER 60 HG SER 60 6.592 3.360 13.104 495 H VAL 61 H VAL 61 4.426 4.484 11.109 496 HA VAL 61 HA VAL 61 5.274 2.990 8.815 497 HB VAL 61 HB VAL 61 2.440 3.184 9.915 498 HG11 VAL 61 HG11 VAL 61 3.775 0.971 8.305 499 HG12 VAL 61 HG12 VAL 61 2.548 2.094 7.717 500 HG13 VAL 61 HG13 VAL 61 2.134 0.918 8.964 501 HG21 VAL 61 HG21 VAL 61 3.957 2.613 11.752 502 HG22 VAL 61 HG22 VAL 61 4.653 1.297 10.803 503 HG23 VAL 61 HG23 VAL 61 2.967 1.218 11.320 504 H ALA 62 H ALA 62 3.016 5.716 9.295 505 HA ALA 62 HA ALA 62 1.923 5.926 6.711 506 HB1 ALA 62 HB1 ALA 62 2.475 8.166 8.681 507 HB2 ALA 62 HB2 ALA 62 0.999 7.200 8.571 508 HB3 ALA 62 HB3 ALA 62 1.444 8.290 7.245 509 H LYS 63 H LYS 63 5.000 7.150 7.979 510 HA LYS 63 HA LYS 63 5.792 8.692 5.743 511 HB2 LYS 63 HB2 LYS 63 6.878 8.849 7.962 512 HB3 LYS 63 HB3 LYS 63 7.528 7.223 7.771 513 HG2 LYS 63 HG2 LYS 63 8.911 7.966 5.883 514 HG3 LYS 63 HG3 LYS 63 8.203 9.582 5.979 515 HD2 LYS 63 HD2 LYS 63 9.187 9.868 8.242 516 HD3 LYS 63 HD3 LYS 63 9.902 8.256 8.132 517 HE2 LYS 63 HE2 LYS 63 11.276 8.977 6.231 518 HE3 LYS 63 HE3 LYS 63 10.524 10.572 6.266 519 HZ1 LYS 63 HZ1 LYS 63 11.464 10.949 8.431 520 HZ2 LYS 63 HZ2 LYS 63 12.692 10.539 7.342 521 HZ3 LYS 63 HZ3 LYS 63 12.137 9.399 8.460 522 H VAL 64 H VAL 64 6.265 5.241 6.512 523 HA VAL 64 HA VAL 64 7.834 4.541 4.241 524 HB VAL 64 HB VAL 64 5.993 2.761 5.904 525 HG11 VAL 64 HG11 VAL 64 6.553 1.672 3.764 526 HG12 VAL 64 HG12 VAL 64 7.357 0.857 5.105 527 HG13 VAL 64 HG13 VAL 64 8.274 1.942 4.057 528 HG21 VAL 64 HG21 VAL 64 8.030 2.141 7.174 529 HG22 VAL 64 HG22 VAL 64 7.691 3.866 7.306 530 HG23 VAL 64 HG23 VAL 64 8.974 3.300 6.234 531 H LEU 65 H LEU 65 4.306 4.510 4.801 532 HA LEU 65 HA LEU 65 3.620 3.518 2.190 533 HB2 LEU 65 HB2 LEU 65 2.020 4.694 4.469 534 HB3 LEU 65 HB3 LEU 65 1.260 4.469 2.906 535 HG LEU 65 HG LEU 65 0.755 2.599 4.425 536 HD11 LEU 65 HD11 LEU 65 2.527 1.745 2.112 537 HD12 LEU 65 HD12 LEU 65 0.809 2.147 2.024 538 HD13 LEU 65 HD13 LEU 65 1.332 0.738 2.940 539 HD21 LEU 65 HD21 LEU 65 2.507 1.002 5.117 540 HD22 LEU 65 HD22 LEU 65 2.746 2.605 5.809 541 HD23 LEU 65 HD23 LEU 65 3.742 2.083 4.447 542 H HIS 66 H HIS 66 4.191 6.688 3.528 543 HA HIS 66 HA HIS 66 3.046 8.273 1.471 544 HB2 HIS 66 HB2 HIS 66 3.663 9.097 3.747 545 HB3 HIS 66 HB3 HIS 66 5.360 8.965 3.328 546 HD1 HIS 66 HD1 HIS 66 6.345 10.852 1.841 547 HD2 HIS 66 HD2 HIS 66 2.274 11.238 2.598 548 HE1 HIS 66 HE1 HIS 66 5.737 13.144 1.035 549 HE2 HIS 66 HE2 HIS 66 3.252 13.292 1.342 550 H THR 67 H THR 67 6.119 6.550 1.755 551 HA THR 67 HA THR 67 7.431 7.821 -0.492 552 HB THR 67 HB THR 67 9.120 6.110 -0.419 553 HG1 THR 67 HG1 THR 67 8.073 4.423 1.464 554 HG21 THR 67 HG21 THR 67 8.177 6.530 2.432 555 HG22 THR 67 HG22 THR 67 9.227 7.619 1.522 556 HG23 THR 67 HG23 THR 67 9.788 6.000 1.945 557 H ILE 68 H ILE 68 5.021 5.311 -0.160 558 HA ILE 68 HA ILE 68 5.494 4.038 -2.731 559 HB ILE 68 HB ILE 68 2.923 3.768 -1.119 560 HG12 ILE 68 HG12 ILE 68 4.594 3.333 0.556 561 HG13 ILE 68 HG13 ILE 68 3.987 1.768 0.038 562 HG21 ILE 68 HG21 ILE 68 2.826 1.513 -2.121 563 HG22 ILE 68 HG22 ILE 68 4.340 1.816 -2.975 564 HG23 ILE 68 HG23 ILE 68 2.904 2.766 -3.361 565 HD11 ILE 68 HD11 ILE 68 6.351 1.686 0.351 566 HD12 ILE 68 HD12 ILE 68 6.599 3.046 -0.743 567 HD13 ILE 68 HD13 ILE 68 5.995 1.503 -1.367 568 H MET 69 H MET 69 3.416 6.457 -1.297 569 HA MET 69 HA MET 69 1.720 7.007 -3.486 570 HB2 MET 69 HB2 MET 69 2.643 9.048 -1.430 571 HB3 MET 69 HB3 MET 69 1.142 9.048 -2.347 572 HG2 MET 69 HG2 MET 69 0.688 6.796 -1.088 573 HG3 MET 69 HG3 MET 69 1.929 7.365 0.008 574 HE1 MET 69 HE1 MET 69 -0.654 9.668 -1.915 575 HE2 MET 69 HE2 MET 69 -1.963 9.748 -0.736 576 HE3 MET 69 HE3 MET 69 -1.604 8.226 -1.549 577 H ASN 70 H ASN 70 4.818 8.509 -2.465 578 HA ASN 70 HA ASN 70 5.205 10.315 -4.577 579 HB2 ASN 70 HB2 ASN 70 6.612 10.206 -2.514 580 HB3 ASN 70 HB3 ASN 70 7.331 8.702 -3.091 581 HD21 ASN 70 HD21 ASN 70 8.783 8.791 -4.863 582 HD22 ASN 70 HD22 ASN 70 9.544 10.264 -5.336 583 H LEU 71 H LEU 71 6.019 6.891 -4.326 584 HA LEU 71 HA LEU 71 7.549 6.573 -6.671 585 HB2 LEU 71 HB2 LEU 71 7.310 5.097 -4.537 586 HB3 LEU 71 HB3 LEU 71 5.919 4.388 -5.330 587 HG LEU 71 HG LEU 71 8.760 4.308 -6.420 588 HD11 LEU 71 HD11 LEU 71 7.230 2.121 -4.958 589 HD12 LEU 71 HD12 LEU 71 8.613 3.022 -4.333 590 HD13 LEU 71 HD13 LEU 71 8.820 1.947 -5.711 591 HD21 LEU 71 HD21 LEU 71 7.898 2.532 -7.926 592 HD22 LEU 71 HD22 LEU 71 7.131 4.090 -8.213 593 HD23 LEU 71 HD23 LEU 71 6.262 2.834 -7.330 594 H VAL 72 H VAL 72 4.190 5.516 -6.059 595 HA VAL 72 HA VAL 72 3.555 4.840 -8.723 596 HB VAL 72 HB VAL 72 1.640 5.421 -6.425 597 HG11 VAL 72 HG11 VAL 72 1.205 3.878 -9.010 598 HG12 VAL 72 HG12 VAL 72 0.466 5.422 -8.577 599 HG13 VAL 72 HG13 VAL 72 0.048 3.966 -7.674 600 HG21 VAL 72 HG21 VAL 72 2.877 2.767 -7.285 601 HG22 VAL 72 HG22 VAL 72 1.661 2.973 -6.021 602 HG23 VAL 72 HG23 VAL 72 3.271 3.665 -5.817 603 H ASP 73 H ASP 73 3.233 7.891 -6.972 604 HA ASP 73 HA ASP 73 1.603 9.342 -8.769 605 HB2 ASP 73 HB2 ASP 73 2.394 10.063 -6.432 606 HB3 ASP 73 HB3 ASP 73 3.926 10.504 -7.170 607 H LYS 74 H LYS 74 5.135 8.825 -8.674 608 HA LYS 74 HA LYS 74 5.754 10.252 -11.080 609 HB2 LYS 74 HB2 LYS 74 7.270 8.420 -9.236 610 HB3 LYS 74 HB3 LYS 74 7.929 8.653 -10.849 611 HG2 LYS 74 HG2 LYS 74 7.364 10.869 -8.849 612 HG3 LYS 74 HG3 LYS 74 8.947 10.172 -9.211 613 HD2 LYS 74 HD2 LYS 74 8.790 10.971 -11.535 614 HD3 LYS 74 HD3 LYS 74 7.186 11.635 -11.220 615 HE2 LYS 74 HE2 LYS 74 9.738 12.548 -9.841 616 HE3 LYS 74 HE3 LYS 74 8.987 13.355 -11.219 617 HZ1 LYS 74 HZ1 LYS 74 7.761 12.976 -8.538 618 HZ2 LYS 74 HZ2 LYS 74 7.001 13.703 -9.864 619 HZ3 LYS 74 HZ3 LYS 74 8.362 14.427 -9.170 620 H MET 75 H MET 75 4.823 6.919 -10.429 621 HA MET 75 HA MET 75 5.425 5.775 -12.939 622 HB2 MET 75 HB2 MET 75 3.263 5.104 -10.913 623 HB3 MET 75 HB3 MET 75 3.587 4.122 -12.338 624 HG2 MET 75 HG2 MET 75 5.871 3.713 -11.554 625 HG3 MET 75 HG3 MET 75 5.567 4.711 -10.129 626 HE1 MET 75 HE1 MET 75 6.676 1.882 -9.622 627 HE2 MET 75 HE2 MET 75 6.016 1.274 -11.144 628 HE3 MET 75 HE3 MET 75 5.529 0.543 -9.613 629 H LEU 76 H LEU 76 2.589 7.572 -11.802 630 HA LEU 76 HA LEU 76 0.791 7.214 -13.910 631 HB2 LEU 76 HB2 LEU 76 0.366 8.341 -11.668 632 HB3 LEU 76 HB3 LEU 76 1.152 9.778 -12.311 633 HG LEU 76 HG LEU 76 -0.623 9.932 -14.079 634 HD11 LEU 76 HD11 LEU 76 -1.949 7.640 -12.596 635 HD12 LEU 76 HD12 LEU 76 -1.274 7.582 -14.227 636 HD13 LEU 76 HD13 LEU 76 -2.675 8.593 -13.892 637 HD21 LEU 76 HD21 LEU 76 -2.427 10.745 -12.619 638 HD22 LEU 76 HD22 LEU 76 -0.849 11.246 -12.016 639 HD23 LEU 76 HD23 LEU 76 -1.704 9.911 -11.240 640 H ASN 77 H ASN 77 3.620 9.323 -13.769 641 HA ASN 77 HA ASN 77 2.946 10.588 -16.347 642 HB2 ASN 77 HB2 ASN 77 5.285 11.843 -15.681 643 HB3 ASN 77 HB3 ASN 77 3.695 12.401 -15.176 644 HD21 ASN 77 HD21 ASN 77 3.017 11.914 -13.025 645 HD22 ASN 77 HD22 ASN 77 4.189 11.634 -11.791 646 H SER 78 H SER 78 4.217 10.501 -18.143 647 HA SER 78 HA SER 78 5.419 7.957 -18.687 648 HB2 SER 78 HB2 SER 78 5.170 10.419 -20.457 649 HB3 SER 78 HB3 SER 78 5.564 8.792 -21.018 650 HG SER 78 HG SER 78 3.415 8.928 -21.316 651 H GLU 79 H GLU 79 6.793 10.714 -17.377 652 HA GLU 79 HA GLU 79 9.349 10.844 -18.646 653 HB2 GLU 79 HB2 GLU 79 10.020 12.178 -16.648 654 HB3 GLU 79 HB3 GLU 79 8.477 12.711 -17.303 655 HG2 GLU 79 HG2 GLU 79 7.267 11.548 -15.546 656 HG3 GLU 79 HG3 GLU 79 8.767 10.888 -14.909 657 H ILE 80 H ILE 80 7.984 8.830 -16.185 658 HA ILE 80 HA ILE 80 10.554 7.580 -15.430 659 HB ILE 80 HB ILE 80 7.768 7.311 -14.217 660 HG12 ILE 80 HG12 ILE 80 8.884 9.602 -14.045 661 HG13 ILE 80 HG13 ILE 80 8.413 8.895 -12.537 662 HG21 ILE 80 HG21 ILE 80 8.881 6.239 -12.275 663 HG22 ILE 80 HG22 ILE 80 10.416 6.262 -13.143 664 HG23 ILE 80 HG23 ILE 80 9.073 5.294 -13.754 665 HD11 ILE 80 HD11 ILE 80 11.208 8.978 -13.674 666 HD12 ILE 80 HD12 ILE 80 10.762 8.262 -12.122 667 HD13 ILE 80 HD13 ILE 80 10.565 9.993 -12.385 668 H LYS 81 H LYS 81 7.235 6.718 -16.473 669 HA LYS 81 HA LYS 81 6.328 5.067 -17.709 670 HB2 LYS 81 HB2 LYS 81 8.080 5.929 -19.334 671 HB3 LYS 81 HB3 LYS 81 9.127 4.615 -18.822 672 HG2 LYS 81 HG2 LYS 81 7.393 2.990 -19.661 673 HG3 LYS 81 HG3 LYS 81 6.467 4.363 -20.273 674 HD2 LYS 81 HD2 LYS 81 8.340 4.968 -21.767 675 HD3 LYS 81 HD3 LYS 81 9.296 3.625 -21.131 676 HE2 LYS 81 HE2 LYS 81 7.612 2.030 -22.022 677 HE3 LYS 81 HE3 LYS 81 6.689 3.385 -22.681 678 HZ1 LYS 81 HZ1 LYS 81 8.588 3.943 -24.073 679 HZ2 LYS 81 HZ2 LYS 81 8.072 2.357 -24.359 680 HZ3 LYS 81 HZ3 LYS 81 9.462 2.638 -23.438 681 H ILE 82 H ILE 82 7.873 4.393 -15.102 682 HA ILE 82 HA ILE 82 8.082 2.701 -13.661 683 HB ILE 82 HB ILE 82 6.309 1.155 -15.605 684 HG12 ILE 82 HG12 ILE 82 4.605 1.638 -13.615 685 HG13 ILE 82 HG13 ILE 82 5.707 2.962 -13.261 686 HG21 ILE 82 HG21 ILE 82 7.033 0.444 -12.741 687 HG22 ILE 82 HG22 ILE 82 7.540 -0.422 -14.193 688 HG23 ILE 82 HG23 ILE 82 5.838 -0.388 -13.740 689 HD11 ILE 82 HD11 ILE 82 4.243 2.522 -15.845 690 HD12 ILE 82 HD12 ILE 82 5.333 3.867 -15.488 691 HD13 ILE 82 HD13 ILE 82 3.835 3.682 -14.583 692 H THR 83 H THR 83 10.065 1.920 -13.367 693 HA THR 83 HA THR 83 11.583 0.939 -15.627 694 HB THR 83 HB THR 83 13.576 1.114 -14.107 695 HG1 THR 83 HG1 THR 83 12.898 0.868 -12.067 696 HG21 THR 83 HG21 THR 83 11.848 3.622 -14.169 697 HG22 THR 83 HG22 THR 83 12.925 3.091 -15.462 698 HG23 THR 83 HG23 THR 83 13.592 3.580 -13.903 699 H SER 84 H SER 84 10.132 -1.038 -15.646 700 HA SER 84 HA SER 84 9.847 -3.277 -15.541 701 HB2 SER 84 HB2 SER 84 11.963 -3.291 -16.696 702 HB3 SER 84 HB3 SER 84 12.861 -3.125 -15.191 703 HG SER 84 HG SER 84 12.692 -5.194 -14.859 704 H ASP 85 H ASP 85 12.489 -3.435 -13.194 705 HA ASP 85 HA ASP 85 11.147 -5.169 -11.385 706 HB2 ASP 85 HB2 ASP 85 13.727 -3.574 -11.084 707 HB3 ASP 85 HB3 ASP 85 13.182 -4.811 -9.950 708 H LEU 86 H LEU 86 11.061 -1.762 -11.721 709 HA LEU 86 HA LEU 86 10.830 -0.812 -9.115 710 HB2 LEU 86 HB2 LEU 86 11.006 0.566 -11.202 711 HB3 LEU 86 HB3 LEU 86 9.320 0.203 -11.538 712 HG LEU 86 HG LEU 86 8.766 1.253 -9.282 713 HD11 LEU 86 HD11 LEU 86 10.946 1.205 -8.233 714 HD12 LEU 86 HD12 LEU 86 10.366 2.864 -8.330 715 HD13 LEU 86 HD13 LEU 86 11.607 2.300 -9.452 716 HD21 LEU 86 HD21 LEU 86 9.939 3.055 -11.447 717 HD22 LEU 86 HD22 LEU 86 8.820 3.571 -10.181 718 HD23 LEU 86 HD23 LEU 86 8.296 2.408 -11.397 719 H ILE 87 H ILE 87 8.320 -2.379 -11.090 720 HA ILE 87 HA ILE 87 6.034 -1.905 -9.480 721 HB ILE 87 HB ILE 87 6.619 -4.483 -11.001 722 HG12 ILE 87 HG12 ILE 87 5.296 -1.987 -12.137 723 HG13 ILE 87 HG13 ILE 87 6.973 -2.432 -12.429 724 HG21 ILE 87 HG21 ILE 87 4.167 -4.665 -11.272 725 HG22 ILE 87 HG22 ILE 87 3.951 -3.189 -10.330 726 HG23 ILE 87 HG23 ILE 87 4.622 -4.630 -9.566 727 HD11 ILE 87 HD11 ILE 87 6.216 -4.489 -13.559 728 HD12 ILE 87 HD12 ILE 87 5.585 -3.027 -14.310 729 HD13 ILE 87 HD13 ILE 87 4.539 -4.004 -13.285 730 H ASP 88 H ASP 88 8.563 -4.344 -9.372 731 HA ASP 88 HA ASP 88 7.550 -5.937 -7.220 732 HB2 ASP 88 HB2 ASP 88 10.423 -5.738 -8.215 733 HB3 ASP 88 HB3 ASP 88 9.738 -7.043 -7.246 734 H LYS 89 H LYS 89 9.537 -3.015 -7.417 735 HA LYS 89 HA LYS 89 10.500 -2.986 -4.740 736 HB2 LYS 89 HB2 LYS 89 11.303 -1.428 -6.564 737 HB3 LYS 89 HB3 LYS 89 9.771 -0.582 -6.469 738 HG2 LYS 89 HG2 LYS 89 10.233 0.139 -4.181 739 HG3 LYS 89 HG3 LYS 89 11.722 -0.811 -4.148 740 HD2 LYS 89 HD2 LYS 89 11.179 1.554 -5.991 741 HD3 LYS 89 HD3 LYS 89 12.142 1.619 -4.513 742 HE2 LYS 89 HE2 LYS 89 13.767 0.046 -5.490 743 HE3 LYS 89 HE3 LYS 89 12.789 -0.077 -6.955 744 HZ1 LYS 89 HZ1 LYS 89 14.092 2.389 -5.948 745 HZ2 LYS 89 HZ2 LYS 89 13.171 2.267 -7.361 746 HZ3 LYS 89 HZ3 LYS 89 14.635 1.435 -7.233 747 H VAL 90 H VAL 90 7.532 -1.704 -6.241 748 HA VAL 90 HA VAL 90 6.270 -0.582 -3.980 749 HB VAL 90 HB VAL 90 4.843 -1.940 -6.316 750 HG11 VAL 90 HG11 VAL 90 3.910 0.306 -4.485 751 HG12 VAL 90 HG12 VAL 90 3.325 -1.358 -4.483 752 HG13 VAL 90 HG13 VAL 90 3.018 -0.320 -5.874 753 HG21 VAL 90 HG21 VAL 90 6.484 -0.404 -7.248 754 HG22 VAL 90 HG22 VAL 90 5.924 0.901 -6.194 755 HG23 VAL 90 HG23 VAL 90 4.867 0.267 -7.458 756 H LYS 91 H LYS 91 6.125 -3.854 -5.358 757 HA LYS 91 HA LYS 91 4.194 -4.917 -3.569 758 HB2 LYS 91 HB2 LYS 91 5.092 -5.813 -5.922 759 HB3 LYS 91 HB3 LYS 91 6.207 -6.724 -4.919 760 HG2 LYS 91 HG2 LYS 91 3.991 -7.456 -3.642 761 HG3 LYS 91 HG3 LYS 91 3.208 -6.953 -5.140 762 HD2 LYS 91 HD2 LYS 91 3.577 -9.297 -5.356 763 HD3 LYS 91 HD3 LYS 91 4.805 -8.527 -6.367 764 HE2 LYS 91 HE2 LYS 91 5.777 -10.373 -5.072 765 HE3 LYS 91 HE3 LYS 91 6.474 -8.834 -4.558 766 HZ1 LYS 91 HZ1 LYS 91 4.299 -10.299 -3.156 767 HZ2 LYS 91 HZ2 LYS 91 4.977 -8.835 -2.653 768 HZ3 LYS 91 HZ3 LYS 91 5.917 -10.236 -2.673 769 H LYS 92 H LYS 92 7.728 -4.843 -3.525 770 HA LYS 92 HA LYS 92 8.173 -6.588 -1.323 771 HB2 LYS 92 HB2 LYS 92 9.925 -6.101 -2.973 772 HB3 LYS 92 HB3 LYS 92 9.924 -4.414 -2.495 773 HG2 LYS 92 HG2 LYS 92 11.843 -5.425 -1.492 774 HG3 LYS 92 HG3 LYS 92 10.672 -5.121 -0.203 775 HD2 LYS 92 HD2 LYS 92 9.963 -7.516 -0.325 776 HD3 LYS 92 HD3 LYS 92 11.212 -7.794 -1.546 777 HE2 LYS 92 HE2 LYS 92 12.944 -7.108 0.118 778 HE3 LYS 92 HE3 LYS 92 11.672 -6.918 1.328 779 HZ1 LYS 92 HZ1 LYS 92 12.745 -9.029 1.574 780 HZ2 LYS 92 HZ2 LYS 92 12.444 -9.436 -0.038 781 HZ3 LYS 92 HZ3 LYS 92 11.157 -9.284 1.049 782 H LYS 93 H LYS 93 7.820 -3.080 -1.603 783 HA LYS 93 HA LYS 93 8.235 -2.368 1.107 784 HB2 LYS 93 HB2 LYS 93 6.564 -1.069 -1.072 785 HB3 LYS 93 HB3 LYS 93 6.828 -0.334 0.506 786 HG2 LYS 93 HG2 LYS 93 9.052 -1.042 -1.432 787 HG3 LYS 93 HG3 LYS 93 8.289 0.546 -1.329 788 HD2 LYS 93 HD2 LYS 93 9.032 0.699 1.063 789 HD3 LYS 93 HD3 LYS 93 9.873 -0.844 0.871 790 HE2 LYS 93 HE2 LYS 93 11.312 0.150 -0.866 791 HE3 LYS 93 HE3 LYS 93 10.448 1.683 -0.721 792 HZ1 LYS 93 HZ1 LYS 93 12.032 0.382 1.424 793 HZ2 LYS 93 HZ2 LYS 93 11.211 1.854 1.560 794 HZ3 LYS 93 HZ3 LYS 93 12.519 1.710 0.498 795 H LEU 94 H LEU 94 5.308 -3.238 -0.705 796 HA LEU 94 HA LEU 94 3.442 -3.057 1.430 797 HB2 LEU 94 HB2 LEU 94 2.892 -2.936 -0.996 798 HB3 LEU 94 HB3 LEU 94 3.313 -4.621 -1.186 799 HG LEU 94 HG LEU 94 0.808 -3.966 -1.118 800 HD11 LEU 94 HD11 LEU 94 0.121 -6.030 -0.032 801 HD12 LEU 94 HD12 LEU 94 1.722 -6.202 0.692 802 HD13 LEU 94 HD13 LEU 94 1.532 -6.279 -1.060 803 HD21 LEU 94 HD21 LEU 94 1.315 -3.848 1.867 804 HD22 LEU 94 HD22 LEU 94 -0.259 -3.793 1.065 805 HD23 LEU 94 HD23 LEU 94 0.895 -2.483 0.830 806 H ASP 95 H ASP 95 5.475 -5.705 0.230 807 HA ASP 95 HA ASP 95 4.628 -7.838 1.864 808 HB2 ASP 95 HB2 ASP 95 7.318 -7.119 0.663 809 HB3 ASP 95 HB3 ASP 95 7.143 -8.561 1.635 810 H MET 96 H MET 96 6.997 -5.267 2.395 811 HA MET 96 HA MET 96 7.852 -5.994 4.988 812 HB2 MET 96 HB2 MET 96 9.193 -4.584 3.504 813 HB3 MET 96 HB3 MET 96 7.950 -3.347 3.500 814 HG2 MET 96 HG2 MET 96 9.833 -2.729 4.930 815 HG3 MET 96 HG3 MET 96 8.361 -2.918 5.887 816 HE1 MET 96 HE1 MET 96 9.669 -3.124 8.179 817 HE2 MET 96 HE2 MET 96 11.189 -2.840 7.326 818 HE3 MET 96 HE3 MET 96 11.039 -4.205 8.433 819 H VAL 97 H VAL 97 5.206 -3.877 3.829 820 HA VAL 97 HA VAL 97 4.289 -2.895 6.333 821 HB VAL 97 HB VAL 97 2.674 -3.449 3.794 822 HG11 VAL 97 HG11 VAL 97 0.996 -1.843 4.682 823 HG12 VAL 97 HG12 VAL 97 1.896 -1.747 6.197 824 HG13 VAL 97 HG13 VAL 97 1.147 -3.270 5.711 825 HG21 VAL 97 HG21 VAL 97 4.495 -1.840 3.409 826 HG22 VAL 97 HG22 VAL 97 3.940 -0.853 4.758 827 HG23 VAL 97 HG23 VAL 97 2.931 -1.032 3.320 828 H THR 98 H THR 98 3.575 -5.870 4.539 829 HA THR 98 HA THR 98 1.614 -7.017 6.236 830 HB THR 98 HB THR 98 3.659 -8.505 4.512 831 HG1 THR 98 HG1 THR 98 2.038 -6.768 3.612 832 HG21 THR 98 HG21 THR 98 1.928 -10.271 4.340 833 HG22 THR 98 HG22 THR 98 0.885 -9.359 5.432 834 HG23 THR 98 HG23 THR 98 2.411 -10.021 6.020 835 H ARG 99 H ARG 99 5.151 -7.344 6.163 836 HA ARG 99 HA ARG 99 5.485 -9.147 8.336 837 HB2 ARG 99 HB2 ARG 99 7.390 -7.123 7.090 838 HB3 ARG 99 HB3 ARG 99 7.887 -8.324 8.281 839 HG2 ARG 99 HG2 ARG 99 7.333 -10.134 6.739 840 HG3 ARG 99 HG3 ARG 99 6.720 -8.977 5.555 841 HD2 ARG 99 HD2 ARG 99 9.021 -9.790 5.031 842 HD3 ARG 99 HD3 ARG 99 8.940 -8.036 5.242 843 HE ARG 99 HE ARG 99 9.659 -9.505 7.625 844 HH11 ARG 99 HH11 ARG 99 10.961 -8.003 4.801 845 HH12 ARG 99 HH12 ARG 99 12.488 -7.694 5.541 846 HH21 ARG 99 HH21 ARG 99 11.611 -9.097 8.548 847 HH22 ARG 99 HH22 ARG 99 12.853 -8.316 7.636 848 H GLU 100 H GLU 100 5.366 -5.634 8.142 849 HA GLU 100 HA GLU 100 6.425 -5.116 10.763 850 HB2 GLU 100 HB2 GLU 100 6.349 -3.627 8.513 851 HB3 GLU 100 HB3 GLU 100 4.888 -3.000 9.253 852 HG2 GLU 100 HG2 GLU 100 7.586 -3.041 10.637 853 HG3 GLU 100 HG3 GLU 100 7.038 -1.691 9.654 854 H LEU 101 H LEU 101 3.163 -5.189 9.315 855 HA LEU 101 HA LEU 101 1.601 -4.549 11.565 856 HB2 LEU 101 HB2 LEU 101 0.731 -4.812 9.233 857 HB3 LEU 101 HB3 LEU 101 0.965 -6.542 9.348 858 HG LEU 101 HG LEU 101 -1.428 -5.702 9.583 859 HD11 LEU 101 HD11 LEU 101 -0.873 -7.966 10.265 860 HD12 LEU 101 HD12 LEU 101 -2.116 -7.272 11.301 861 HD13 LEU 101 HD13 LEU 101 -0.456 -7.401 11.884 862 HD21 LEU 101 HD21 LEU 101 -1.023 -3.728 10.948 863 HD22 LEU 101 HD22 LEU 101 -0.516 -4.739 12.303 864 HD23 LEU 101 HD23 LEU 101 -2.183 -4.801 11.728 865 H ASP 102 H ASP 102 2.743 -7.706 10.401 866 HA ASP 102 HA ASP 102 1.809 -9.367 12.455 867 HB2 ASP 102 HB2 ASP 102 2.677 -10.117 10.230 868 HB3 ASP 102 HB3 ASP 102 4.310 -9.696 10.734 869 H LYS 103 H LYS 103 4.612 -7.286 12.320 870 HA LYS 103 HA LYS 103 6.001 -8.318 14.598 871 HB2 LYS 103 HB2 LYS 103 7.093 -7.105 12.714 872 HB3 LYS 103 HB3 LYS 103 6.282 -5.624 13.207 873 HG2 LYS 103 HG2 LYS 103 7.589 -5.440 15.190 874 HG3 LYS 103 HG3 LYS 103 8.152 -7.109 15.067 875 HD2 LYS 103 HD2 LYS 103 9.942 -5.532 14.435 876 HD3 LYS 103 HD3 LYS 103 9.482 -6.545 13.067 877 HE2 LYS 103 HE2 LYS 103 9.823 -4.228 12.352 878 HE3 LYS 103 HE3 LYS 103 8.130 -4.680 12.152 879 HZ1 LYS 103 HZ1 LYS 103 9.245 -3.095 14.405 880 HZ2 LYS 103 HZ2 LYS 103 7.622 -3.526 14.212 881 HZ3 LYS 103 HZ3 LYS 103 8.351 -2.487 13.104 882 H LYS 104 H LYS 104 3.489 -5.761 14.220 883 HA LYS 104 HA LYS 104 3.498 -4.941 16.972 884 HB2 LYS 104 HB2 LYS 104 1.168 -4.970 15.004 885 HB3 LYS 104 HB3 LYS 104 1.053 -4.330 16.631 886 HG2 LYS 104 HG2 LYS 104 1.459 -2.337 15.636 887 HG3 LYS 104 HG3 LYS 104 3.148 -2.841 15.705 888 HD2 LYS 104 HD2 LYS 104 3.075 -3.588 13.398 889 HD3 LYS 104 HD3 LYS 104 1.331 -3.347 13.315 890 HE2 LYS 104 HE2 LYS 104 2.521 -1.546 12.157 891 HE3 LYS 104 HE3 LYS 104 1.665 -0.908 13.562 892 HZ1 LYS 104 HZ1 LYS 104 3.926 -0.033 13.326 893 HZ2 LYS 104 HZ2 LYS 104 4.551 -1.592 13.493 894 HZ3 LYS 104 HZ3 LYS 104 3.726 -0.873 14.780 895 H VAL 105 H VAL 105 1.776 -7.507 15.209 896 HA VAL 105 HA VAL 105 0.165 -8.470 17.341 897 HB VAL 105 HB VAL 105 1.068 -9.959 14.829 898 HG11 VAL 105 HG11 VAL 105 -0.997 -11.322 15.103 899 HG12 VAL 105 HG12 VAL 105 -1.330 -10.502 16.630 900 HG13 VAL 105 HG13 VAL 105 0.101 -11.518 16.472 901 HG21 VAL 105 HG21 VAL 105 -1.043 -9.151 13.801 902 HG22 VAL 105 HG22 VAL 105 0.002 -7.809 14.267 903 HG23 VAL 105 HG23 VAL 105 -1.397 -8.219 15.259 904 H SER 106 H SER 106 3.502 -9.041 16.533 905 HA SER 106 HA SER 106 4.054 -11.412 17.952 906 HB2 SER 106 HB2 SER 106 5.686 -10.368 16.417 907 HB3 SER 106 HB3 SER 106 5.887 -9.011 17.528 908 HG SER 106 HG SER 106 6.282 -11.396 18.780 909 H GLY 107 H GLY 107 3.615 -8.108 19.116 910 HA2 GLY 107 HA2 GLY 107 2.821 -8.625 21.665 911 HA3 GLY 107 HA3 GLY 107 4.572 -8.624 21.812 912 H SER 108 H SER 108 1.801 -6.624 20.771 913 HA SER 108 HA SER 108 3.388 -4.147 21.175 914 HB2 SER 108 HB2 SER 108 2.208 -4.376 18.981 915 HB3 SER 108 HB3 SER 108 0.663 -4.460 19.828 916 HG SER 108 HG SER 108 0.727 -2.365 19.578 917 H TYR 109 H TYR 109 3.217 -3.299 23.174 918 HA TYR 109 HA TYR 109 0.786 -3.608 24.800 919 HB2 TYR 109 HB2 TYR 109 3.453 -2.295 25.491 920 HB3 TYR 109 HB3 TYR 109 2.143 -2.617 26.624 921 HD1 TYR 109 HD2 TYR 109 1.483 -5.080 27.048 922 HD2 TYR 109 HD1 TYR 109 5.102 -3.989 25.047 923 HE1 TYR 109 HE2 TYR 109 2.405 -7.317 27.497 924 HE2 TYR 109 HE1 TYR 109 6.020 -6.228 25.492 925 HH TYR 109 HH TYR 109 4.118 -8.833 26.573 926 H LEU 110 H LEU 110 1.993 -1.405 22.563 927 HA LEU 110 HA LEU 110 1.644 0.714 21.928 928 HB2 LEU 110 HB2 LEU 110 -1.011 0.296 23.337 929 HB3 LEU 110 HB3 LEU 110 -0.644 1.738 22.417 930 HG LEU 110 HG LEU 110 -1.973 0.386 20.991 931 HD11 LEU 110 HD11 LEU 110 0.888 -0.037 20.088 932 HD12 LEU 110 HD12 LEU 110 -0.076 1.423 19.854 933 HD13 LEU 110 HD13 LEU 110 -0.558 -0.078 19.072 934 HD21 LEU 110 HD21 LEU 110 -1.539 -1.973 20.445 935 HD22 LEU 110 HD22 LEU 110 -1.831 -1.741 22.167 936 HD23 LEU 110 HD23 LEU 110 -0.186 -1.993 21.584 937 H VAL 111 H VAL 111 3.481 1.209 23.396 938 HA VAL 111 HA VAL 111 2.896 2.851 25.708 939 HB VAL 111 HB VAL 111 5.337 3.400 25.741 940 HG11 VAL 111 HG11 VAL 111 6.129 1.132 26.337 941 HG12 VAL 111 HG12 VAL 111 4.732 0.423 25.526 942 HG13 VAL 111 HG13 VAL 111 4.501 1.428 26.957 943 HG21 VAL 111 HG21 VAL 111 5.556 1.586 23.299 944 HG22 VAL 111 HG22 VAL 111 6.914 2.257 24.209 945 HG23 VAL 111 HG23 VAL 111 5.832 3.328 23.316 946 HA PRO 112 HA PRO 112 2.064 6.506 23.114 947 HB2 PRO 112 HB2 PRO 112 1.632 7.995 25.634 948 HB3 PRO 112 HB3 PRO 112 0.463 7.562 24.384 949 HG2 PRO 112 HG2 PRO 112 0.423 6.406 26.833 950 HG3 PRO 112 HG3 PRO 112 -0.035 5.509 25.368 951 HD2 PRO 112 HD2 PRO 112 2.612 5.488 26.846 952 HD3 PRO 112 HD3 PRO 112 1.642 4.111 26.261 953 H ARG 113 H ARG 113 4.864 5.912 24.490 954 HA ARG 113 HA ARG 113 5.969 8.643 24.541 955 HB2 ARG 113 HB2 ARG 113 6.504 7.152 26.448 956 HB3 ARG 113 HB3 ARG 113 7.229 5.983 25.349 957 HG2 ARG 113 HG2 ARG 113 8.983 7.621 24.756 958 HG3 ARG 113 HG3 ARG 113 8.242 8.810 25.831 959 HD2 ARG 113 HD2 ARG 113 8.705 7.386 27.770 960 HD3 ARG 113 HD3 ARG 113 9.360 6.126 26.715 961 HE ARG 113 HE ARG 113 10.893 8.296 26.133 962 HH11 ARG 113 HH11 ARG 113 10.130 6.767 29.149 963 HH12 ARG 113 HH12 ARG 113 11.675 7.121 29.832 964 HH21 ARG 113 HH21 ARG 113 12.856 8.711 27.014 965 HH22 ARG 113 HH22 ARG 113 13.203 8.227 28.634 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -9.428 5.957 26.543 2 H2 MET 1 H2 MET 1 -9.876 7.046 27.756 3 H3 MET 1 H3 MET 1 -8.249 6.861 27.342 4 HA MET 1 HA MET 1 -10.344 7.893 25.538 5 HB2 MET 1 HB2 MET 1 -9.829 9.427 27.462 6 HB3 MET 1 HB3 MET 1 -8.135 9.415 26.994 7 HG2 MET 1 HG2 MET 1 -10.331 10.423 25.169 8 HG3 MET 1 HG3 MET 1 -9.475 11.457 26.310 9 HE1 MET 1 HE1 MET 1 -8.774 13.107 24.290 10 HE2 MET 1 HE2 MET 1 -9.633 12.073 23.144 11 HE3 MET 1 HE3 MET 1 -7.962 12.549 22.828 12 H GLY 2 H GLY 2 -9.696 8.147 23.410 13 HA2 GLY 2 HA2 GLY 2 -7.617 8.712 22.007 14 HA3 GLY 2 HA3 GLY 2 -6.976 7.208 22.645 15 H SER 3 H SER 3 -9.548 8.616 20.667 16 HA SER 3 HA SER 3 -10.737 7.932 18.873 17 HB2 SER 3 HB2 SER 3 -8.483 7.425 17.936 18 HB3 SER 3 HB3 SER 3 -8.590 5.785 18.572 19 HG SER 3 HG SER 3 -9.714 6.890 16.332 20 H HIS 4 H HIS 4 -11.684 5.653 17.799 21 HA HIS 4 HA HIS 4 -13.191 4.371 19.995 22 HB2 HIS 4 HB2 HIS 4 -13.631 4.278 16.971 23 HB3 HIS 4 HB3 HIS 4 -14.686 3.541 18.171 24 HD1 HIS 4 HD1 HIS 4 -16.042 5.206 19.718 25 HD2 HIS 4 HD2 HIS 4 -14.064 6.984 16.528 26 HE1 HIS 4 HE1 HIS 4 -17.042 7.497 19.500 27 HE2 HIS 4 HE2 HIS 4 -15.756 8.586 17.638 28 H GLN 5 H GLN 5 -12.237 2.554 20.838 29 HA GLN 5 HA GLN 5 -10.042 1.238 19.695 30 HB2 GLN 5 HB2 GLN 5 -11.857 0.454 21.986 31 HB3 GLN 5 HB3 GLN 5 -10.572 -0.617 21.467 32 HG2 GLN 5 HG2 GLN 5 -9.720 0.597 23.300 33 HG3 GLN 5 HG3 GLN 5 -8.938 1.267 21.870 34 HE21 GLN 5 HE21 GLN 5 -9.461 3.401 21.234 35 HE22 GLN 5 HE22 GLN 5 -10.296 4.484 22.283 36 H GLU 6 H GLU 6 -13.478 0.203 19.651 37 HA GLU 6 HA GLU 6 -13.049 -2.334 18.480 38 HB2 GLU 6 HB2 GLU 6 -15.494 -0.528 18.410 39 HB3 GLU 6 HB3 GLU 6 -15.481 -2.158 17.733 40 HG2 GLU 6 HG2 GLU 6 -15.084 -1.379 20.638 41 HG3 GLU 6 HG3 GLU 6 -16.472 -2.211 19.937 42 H TYR 7 H TYR 7 -13.704 0.838 16.967 43 HA TYR 7 HA TYR 7 -13.652 0.057 14.263 44 HB2 TYR 7 HB2 TYR 7 -14.406 2.290 14.928 45 HB3 TYR 7 HB3 TYR 7 -12.819 2.688 15.568 46 HD1 TYR 7 HD1 TYR 7 -14.681 2.006 12.388 47 HD2 TYR 7 HD2 TYR 7 -11.130 3.643 14.129 48 HE1 TYR 7 HE1 TYR 7 -14.068 2.988 10.216 49 HE2 TYR 7 HE2 TYR 7 -10.517 4.625 11.957 50 HH TYR 7 HH TYR 7 -10.992 4.214 9.525 51 H ILE 8 H ILE 8 -10.985 1.057 16.422 52 HA ILE 8 HA ILE 8 -8.817 0.895 14.647 53 HB ILE 8 HB ILE 8 -8.921 0.381 17.656 54 HG12 ILE 8 HG12 ILE 8 -8.072 2.884 16.123 55 HG13 ILE 8 HG13 ILE 8 -9.627 2.674 16.919 56 HG21 ILE 8 HG21 ILE 8 -6.443 0.831 15.954 57 HG22 ILE 8 HG22 ILE 8 -6.879 -0.661 16.786 58 HG23 ILE 8 HG23 ILE 8 -6.477 0.779 17.718 59 HD11 ILE 8 HD11 ILE 8 -8.488 2.560 19.097 60 HD12 ILE 8 HD12 ILE 8 -8.141 4.059 18.240 61 HD13 ILE 8 HD13 ILE 8 -6.931 2.779 18.290 62 H LYS 9 H LYS 9 -10.253 -1.636 16.715 63 HA LYS 9 HA LYS 9 -8.441 -3.737 16.153 64 HB2 LYS 9 HB2 LYS 9 -11.324 -3.785 17.118 65 HB3 LYS 9 HB3 LYS 9 -10.302 -5.218 17.054 66 HG2 LYS 9 HG2 LYS 9 -8.840 -4.366 18.758 67 HG3 LYS 9 HG3 LYS 9 -9.558 -2.757 18.663 68 HD2 LYS 9 HD2 LYS 9 -10.325 -3.960 20.679 69 HD3 LYS 9 HD3 LYS 9 -11.669 -3.598 19.594 70 HE2 LYS 9 HE2 LYS 9 -11.488 -5.968 18.717 71 HE3 LYS 9 HE3 LYS 9 -10.299 -6.290 19.979 72 HZ1 LYS 9 HZ1 LYS 9 -12.556 -6.980 20.558 73 HZ2 LYS 9 HZ2 LYS 9 -13.083 -5.375 20.457 74 HZ3 LYS 9 HZ3 LYS 9 -11.955 -5.824 21.634 75 H LYS 10 H LYS 10 -11.587 -2.891 14.667 76 HA LYS 10 HA LYS 10 -11.709 -5.060 12.837 77 HB2 LYS 10 HB2 LYS 10 -13.278 -2.584 13.294 78 HB3 LYS 10 HB3 LYS 10 -13.188 -3.000 11.593 79 HG2 LYS 10 HG2 LYS 10 -15.175 -4.011 12.426 80 HG3 LYS 10 HG3 LYS 10 -14.013 -5.305 12.152 81 HD2 LYS 10 HD2 LYS 10 -14.961 -5.880 14.215 82 HD3 LYS 10 HD3 LYS 10 -13.460 -5.079 14.689 83 HE2 LYS 10 HE2 LYS 10 -14.727 -2.996 15.127 84 HE3 LYS 10 HE3 LYS 10 -16.221 -3.809 14.664 85 HZ1 LYS 10 HZ1 LYS 10 -15.859 -5.369 16.486 86 HZ2 LYS 10 HZ2 LYS 10 -15.993 -3.778 17.034 87 HZ3 LYS 10 HZ3 LYS 10 -14.476 -4.520 16.952 88 H VAL 11 H VAL 11 -10.564 -1.722 12.420 89 HA VAL 11 HA VAL 11 -9.840 -1.911 9.685 90 HB VAL 11 HB VAL 11 -9.083 0.061 11.878 91 HG11 VAL 11 HG11 VAL 11 -7.260 0.136 10.236 92 HG12 VAL 11 HG12 VAL 11 -8.247 1.592 10.111 93 HG13 VAL 11 HG13 VAL 11 -8.425 0.302 8.920 94 HG21 VAL 11 HG21 VAL 11 -10.998 0.272 9.517 95 HG22 VAL 11 HG22 VAL 11 -10.676 1.553 10.689 96 HG23 VAL 11 HG23 VAL 11 -11.455 0.059 11.211 97 H THR 12 H THR 12 -8.005 -2.538 12.643 98 HA THR 12 HA THR 12 -5.417 -2.983 11.658 99 HB THR 12 HB THR 12 -6.944 -4.279 13.954 100 HG1 THR 12 HG1 THR 12 -6.355 -2.439 14.789 101 HG21 THR 12 HG21 THR 12 -3.997 -4.705 13.341 102 HG22 THR 12 HG22 THR 12 -5.252 -5.942 13.280 103 HG23 THR 12 HG23 THR 12 -4.818 -5.206 14.823 104 H ASP 13 H ASP 13 -8.222 -5.145 11.768 105 HA ASP 13 HA ASP 13 -6.905 -7.390 10.541 106 HB2 ASP 13 HB2 ASP 13 -8.756 -7.629 12.191 107 HB3 ASP 13 HB3 ASP 13 -9.861 -6.855 11.059 108 H GLU 14 H GLU 14 -9.181 -4.889 9.375 109 HA GLU 14 HA GLU 14 -9.657 -5.839 6.754 110 HB2 GLU 14 HB2 GLU 14 -9.763 -3.023 7.897 111 HB3 GLU 14 HB3 GLU 14 -10.335 -3.434 6.280 112 HG2 GLU 14 HG2 GLU 14 -12.031 -4.928 7.241 113 HG3 GLU 14 HG3 GLU 14 -11.426 -4.599 8.864 114 H LEU 15 H LEU 15 -7.003 -4.068 8.113 115 HA LEU 15 HA LEU 15 -5.650 -3.070 5.934 116 HB2 LEU 15 HB2 LEU 15 -5.003 -2.638 8.208 117 HB3 LEU 15 HB3 LEU 15 -4.656 -4.325 8.513 118 HG LEU 15 HG LEU 15 -2.990 -2.896 6.429 119 HD11 LEU 15 HD11 LEU 15 -3.015 -1.299 8.310 120 HD12 LEU 15 HD12 LEU 15 -1.431 -2.052 8.128 121 HD13 LEU 15 HD13 LEU 15 -2.517 -2.584 9.417 122 HD21 LEU 15 HD21 LEU 15 -1.209 -4.385 7.347 123 HD22 LEU 15 HD22 LEU 15 -2.607 -5.275 6.749 124 HD23 LEU 15 HD23 LEU 15 -2.391 -5.051 8.484 125 H LYS 16 H LYS 16 -5.733 -6.505 7.001 126 HA LYS 16 HA LYS 16 -3.828 -7.421 5.041 127 HB2 LYS 16 HB2 LYS 16 -5.778 -8.872 6.848 128 HB3 LYS 16 HB3 LYS 16 -4.920 -9.745 5.590 129 HG2 LYS 16 HG2 LYS 16 -3.659 -10.083 7.557 130 HG3 LYS 16 HG3 LYS 16 -2.745 -8.914 6.607 131 HD2 LYS 16 HD2 LYS 16 -2.675 -8.173 8.895 132 HD3 LYS 16 HD3 LYS 16 -3.774 -7.082 8.042 133 HE2 LYS 16 HE2 LYS 16 -4.713 -7.712 10.218 134 HE3 LYS 16 HE3 LYS 16 -5.708 -8.352 8.914 135 HZ1 LYS 16 HZ1 LYS 16 -5.386 -9.970 10.658 136 HZ2 LYS 16 HZ2 LYS 16 -3.709 -9.905 10.465 137 HZ3 LYS 16 HZ3 LYS 16 -4.682 -10.508 9.222 138 H GLU 17 H GLU 17 -7.408 -7.253 5.083 139 HA GLU 17 HA GLU 17 -7.976 -8.381 2.568 140 HB2 GLU 17 HB2 GLU 17 -9.311 -6.041 3.968 141 HB3 GLU 17 HB3 GLU 17 -9.977 -6.835 2.541 142 HG2 GLU 17 HG2 GLU 17 -9.527 -8.122 5.255 143 HG3 GLU 17 HG3 GLU 17 -11.073 -7.584 4.604 144 H LEU 18 H LEU 18 -6.878 -5.206 3.438 145 HA LEU 18 HA LEU 18 -7.220 -3.962 0.921 146 HB2 LEU 18 HB2 LEU 18 -6.971 -3.001 3.356 147 HB3 LEU 18 HB3 LEU 18 -5.248 -3.061 3.038 148 HG LEU 18 HG LEU 18 -5.443 -1.443 1.238 149 HD11 LEU 18 HD11 LEU 18 -8.444 -1.645 1.621 150 HD12 LEU 18 HD12 LEU 18 -7.517 -2.247 0.244 151 HD13 LEU 18 HD13 LEU 18 -7.609 -0.511 0.549 152 HD21 LEU 18 HD21 LEU 18 -7.127 -0.543 3.608 153 HD22 LEU 18 HD22 LEU 18 -6.306 0.511 2.452 154 HD23 LEU 18 HD23 LEU 18 -5.362 -0.518 3.525 155 H ILE 19 H ILE 19 -4.335 -5.225 2.584 156 HA ILE 19 HA ILE 19 -2.372 -4.941 0.613 157 HB ILE 19 HB ILE 19 -2.757 -7.114 2.725 158 HG12 ILE 19 HG12 ILE 19 -0.933 -4.667 2.762 159 HG13 ILE 19 HG13 ILE 19 -2.502 -4.754 3.556 160 HG21 ILE 19 HG21 ILE 19 -0.365 -7.672 2.524 161 HG22 ILE 19 HG22 ILE 19 -0.214 -6.568 1.159 162 HG23 ILE 19 HG23 ILE 19 -1.226 -8.004 1.019 163 HD11 ILE 19 HD11 ILE 19 -1.666 -6.551 4.998 164 HD12 ILE 19 HD12 ILE 19 -0.706 -5.079 5.133 165 HD13 ILE 19 HD13 ILE 19 -0.091 -6.442 4.207 166 H GLN 20 H GLN 20 -4.722 -7.569 1.080 167 HA GLN 20 HA GLN 20 -3.837 -9.440 -0.795 168 HB2 GLN 20 HB2 GLN 20 -5.534 -9.948 0.890 169 HB3 GLN 20 HB3 GLN 20 -6.656 -8.813 0.149 170 HG2 GLN 20 HG2 GLN 20 -6.835 -10.252 -1.835 171 HG3 GLN 20 HG3 GLN 20 -5.664 -11.376 -1.147 172 HE21 GLN 20 HE21 GLN 20 -8.495 -11.752 -1.921 173 HE22 GLN 20 HE22 GLN 20 -9.270 -12.390 -0.515 174 H ASN 21 H ASN 21 -6.284 -6.832 -1.261 175 HA ASN 21 HA ASN 21 -6.753 -7.282 -4.009 176 HB2 ASN 21 HB2 ASN 21 -7.061 -4.727 -2.382 177 HB3 ASN 21 HB3 ASN 21 -7.580 -4.875 -4.058 178 HD21 ASN 21 HD21 ASN 21 -8.316 -5.694 -0.775 179 HD22 ASN 21 HD22 ASN 21 -9.849 -6.414 -1.093 180 H VAL 22 H VAL 22 -4.430 -5.076 -2.395 181 HA VAL 22 HA VAL 22 -3.376 -3.846 -4.700 182 HB VAL 22 HB VAL 22 -1.961 -4.325 -2.034 183 HG11 VAL 22 HG11 VAL 22 -1.273 -2.338 -4.249 184 HG12 VAL 22 HG12 VAL 22 -0.312 -3.743 -3.776 185 HG13 VAL 22 HG13 VAL 22 -0.515 -2.399 -2.653 186 HG21 VAL 22 HG21 VAL 22 -4.052 -3.060 -1.777 187 HG22 VAL 22 HG22 VAL 22 -3.536 -1.921 -3.021 188 HG23 VAL 22 HG23 VAL 22 -2.658 -2.019 -1.493 189 H ASN 23 H ASN 23 -2.374 -6.901 -3.087 190 HA ASN 23 HA ASN 23 -0.070 -7.476 -4.601 191 HB2 ASN 23 HB2 ASN 23 -2.058 -9.253 -3.156 192 HB3 ASN 23 HB3 ASN 23 -0.854 -10.004 -4.191 193 HD21 ASN 23 HD21 ASN 23 -1.431 -8.557 -1.135 194 HD22 ASN 23 HD22 ASN 23 0.184 -8.681 -0.531 195 H ASP 24 H ASP 24 -3.489 -8.146 -5.287 196 HA ASP 24 HA ASP 24 -3.000 -9.671 -7.670 197 HB2 ASP 24 HB2 ASP 24 -4.980 -10.030 -6.207 198 HB3 ASP 24 HB3 ASP 24 -5.580 -8.424 -6.635 199 H ASP 25 H ASP 25 -4.036 -6.285 -7.066 200 HA ASP 25 HA ASP 25 -4.293 -5.472 -9.773 201 HB2 ASP 25 HB2 ASP 25 -3.712 -3.904 -7.227 202 HB3 ASP 25 HB3 ASP 25 -3.889 -3.108 -8.787 203 H ILE 26 H ILE 26 -1.512 -5.256 -7.521 204 HA ILE 26 HA ILE 26 0.477 -4.275 -9.211 205 HB ILE 26 HB ILE 26 0.586 -6.157 -6.835 206 HG12 ILE 26 HG12 ILE 26 1.758 -3.375 -7.265 207 HG13 ILE 26 HG13 ILE 26 0.258 -3.725 -6.422 208 HG21 ILE 26 HG21 ILE 26 2.378 -7.038 -8.221 209 HG22 ILE 26 HG22 ILE 26 3.074 -6.143 -6.864 210 HG23 ILE 26 HG23 ILE 26 3.033 -5.410 -8.467 211 HD11 ILE 26 HD11 ILE 26 2.042 -3.243 -4.863 212 HD12 ILE 26 HD12 ILE 26 3.034 -4.537 -5.537 213 HD13 ILE 26 HD13 ILE 26 1.530 -4.921 -4.691 214 H LYS 27 H LYS 27 -0.743 -7.591 -8.880 215 HA LYS 27 HA LYS 27 1.249 -8.895 -10.364 216 HB2 LYS 27 HB2 LYS 27 -0.468 -9.872 -8.715 217 HB3 LYS 27 HB3 LYS 27 -1.623 -9.829 -10.048 218 HG2 LYS 27 HG2 LYS 27 -0.019 -11.230 -11.363 219 HG3 LYS 27 HG3 LYS 27 0.973 -11.366 -9.910 220 HD2 LYS 27 HD2 LYS 27 -0.301 -13.365 -9.939 221 HD3 LYS 27 HD3 LYS 27 -1.128 -12.346 -8.765 222 HE2 LYS 27 HE2 LYS 27 -1.982 -12.791 -11.651 223 HE3 LYS 27 HE3 LYS 27 -2.719 -13.540 -10.237 224 HZ1 LYS 27 HZ1 LYS 27 -3.369 -11.290 -9.498 225 HZ2 LYS 27 HZ2 LYS 27 -4.050 -11.722 -10.978 226 HZ3 LYS 27 HZ3 LYS 27 -2.749 -10.651 -10.941 227 H GLU 28 H GLU 28 -1.849 -7.459 -11.280 228 HA GLU 28 HA GLU 28 -1.810 -8.174 -14.034 229 HB2 GLU 28 HB2 GLU 28 -3.153 -5.791 -12.703 230 HB3 GLU 28 HB3 GLU 28 -3.507 -6.400 -14.320 231 HG2 GLU 28 HG2 GLU 28 -4.054 -7.773 -11.668 232 HG3 GLU 28 HG3 GLU 28 -5.238 -7.134 -12.805 233 H VAL 29 H VAL 29 -0.268 -5.576 -12.216 234 HA VAL 29 HA VAL 29 0.615 -4.101 -14.531 235 HB VAL 29 HB VAL 29 1.878 -3.914 -11.762 236 HG11 VAL 29 HG11 VAL 29 2.421 -1.636 -12.496 237 HG12 VAL 29 HG12 VAL 29 1.631 -1.918 -14.038 238 HG13 VAL 29 HG13 VAL 29 3.085 -2.824 -13.607 239 HG21 VAL 29 HG21 VAL 29 0.338 -2.032 -11.261 240 HG22 VAL 29 HG22 VAL 29 -0.515 -3.571 -11.416 241 HG23 VAL 29 HG23 VAL 29 -0.576 -2.400 -12.733 242 H GLU 30 H GLU 30 1.983 -6.656 -12.483 243 HA GLU 30 HA GLU 30 4.656 -6.605 -13.400 244 HB2 GLU 30 HB2 GLU 30 3.027 -8.930 -12.265 245 HB3 GLU 30 HB3 GLU 30 4.773 -8.978 -12.521 246 HG2 GLU 30 HG2 GLU 30 5.059 -7.109 -10.934 247 HG3 GLU 30 HG3 GLU 30 3.320 -7.044 -10.683 248 H LYS 31 H LYS 31 1.742 -7.916 -14.833 249 HA LYS 31 HA LYS 31 3.095 -8.964 -17.191 250 HB2 LYS 31 HB2 LYS 31 0.203 -8.478 -16.423 251 HB3 LYS 31 HB3 LYS 31 0.629 -8.894 -18.080 252 HG2 LYS 31 HG2 LYS 31 1.624 -10.975 -17.319 253 HG3 LYS 31 HG3 LYS 31 1.241 -10.569 -15.647 254 HD2 LYS 31 HD2 LYS 31 -0.411 -12.157 -16.468 255 HD3 LYS 31 HD3 LYS 31 -1.191 -10.599 -16.224 256 HE2 LYS 31 HE2 LYS 31 -0.232 -11.567 -18.943 257 HE3 LYS 31 HE3 LYS 31 -1.858 -11.864 -18.334 258 HZ1 LYS 31 HZ1 LYS 31 -2.126 -9.430 -18.164 259 HZ2 LYS 31 HZ2 LYS 31 -1.888 -9.966 -19.744 260 HZ3 LYS 31 HZ3 LYS 31 -0.622 -9.224 -18.910 261 H ASN 32 H ASN 32 1.011 -6.150 -16.435 262 HA ASN 32 HA ASN 32 1.823 -4.847 -18.961 263 HB2 ASN 32 HB2 ASN 32 -0.847 -4.717 -17.512 264 HB3 ASN 32 HB3 ASN 32 -0.420 -3.679 -18.864 265 HD21 ASN 32 HD21 ASN 32 -2.071 -4.397 -20.141 266 HD22 ASN 32 HD22 ASN 32 -2.130 -5.989 -20.812 267 HA PRO 33 HA PRO 33 3.566 -2.403 -15.462 268 HB2 PRO 33 HB2 PRO 33 5.507 -1.026 -16.837 269 HB3 PRO 33 HB3 PRO 33 5.671 -2.727 -16.374 270 HG2 PRO 33 HG2 PRO 33 4.804 -1.559 -19.025 271 HG3 PRO 33 HG3 PRO 33 5.973 -2.862 -18.713 272 HD2 PRO 33 HD2 PRO 33 3.423 -3.395 -19.464 273 HD3 PRO 33 HD3 PRO 33 4.295 -4.453 -18.330 274 H GLU 34 H GLU 34 2.640 -0.801 -18.506 275 HA GLU 34 HA GLU 34 2.561 1.843 -17.216 276 HB2 GLU 34 HB2 GLU 34 2.311 1.061 -20.149 277 HB3 GLU 34 HB3 GLU 34 2.430 2.708 -19.529 278 HG2 GLU 34 HG2 GLU 34 4.681 2.243 -18.660 279 HG3 GLU 34 HG3 GLU 34 4.569 0.571 -19.209 280 H ASP 35 H ASP 35 0.375 -0.535 -17.268 281 HA ASP 35 HA ASP 35 -2.025 0.877 -17.959 282 HB2 ASP 35 HB2 ASP 35 -1.480 -1.637 -16.341 283 HB3 ASP 35 HB3 ASP 35 -3.099 -0.940 -16.412 284 H MET 36 H MET 36 -1.976 2.867 -17.051 285 HA MET 36 HA MET 36 -1.216 3.568 -14.439 286 HB2 MET 36 HB2 MET 36 -3.049 5.040 -16.359 287 HB3 MET 36 HB3 MET 36 -2.296 5.735 -14.943 288 HG2 MET 36 HG2 MET 36 -0.658 4.578 -17.204 289 HG3 MET 36 HG3 MET 36 -1.239 6.239 -17.212 290 HE1 MET 36 HE1 MET 36 0.510 3.903 -14.331 291 HE2 MET 36 HE2 MET 36 2.119 4.607 -14.478 292 HE3 MET 36 HE3 MET 36 1.408 3.740 -15.841 293 H GLU 37 H GLU 37 -4.242 2.454 -15.692 294 HA GLU 37 HA GLU 37 -6.056 3.320 -13.723 295 HB2 GLU 37 HB2 GLU 37 -6.178 0.850 -15.496 296 HB3 GLU 37 HB3 GLU 37 -7.524 1.438 -14.531 297 HG2 GLU 37 HG2 GLU 37 -7.874 2.165 -16.781 298 HG3 GLU 37 HG3 GLU 37 -7.464 3.582 -15.804 299 H TYR 38 H TYR 38 -4.107 0.363 -13.926 300 HA TYR 38 HA TYR 38 -4.994 -0.758 -11.436 301 HB2 TYR 38 HB2 TYR 38 -2.678 -1.364 -13.296 302 HB3 TYR 38 HB3 TYR 38 -2.819 -2.191 -11.744 303 HD1 TYR 38 HD1 TYR 38 -5.101 -3.351 -11.243 304 HD2 TYR 38 HD2 TYR 38 -3.856 -2.241 -15.180 305 HE1 TYR 38 HE1 TYR 38 -6.726 -4.926 -12.196 306 HE2 TYR 38 HE2 TYR 38 -5.477 -3.819 -16.137 307 HH TYR 38 HH TYR 38 -7.925 -5.331 -14.272 308 H TRP 39 H TRP 39 -2.376 1.456 -12.331 309 HA TRP 39 HA TRP 39 -1.247 1.552 -9.699 310 HB2 TRP 39 HB2 TRP 39 -0.927 3.328 -12.136 311 HB3 TRP 39 HB3 TRP 39 -0.161 3.726 -10.601 312 HD1 TRP 39 HD1 TRP 39 0.756 2.096 -13.694 313 HE1 TRP 39 HE1 TRP 39 2.709 0.462 -13.383 314 HE3 TRP 39 HE3 TRP 39 0.646 1.599 -8.592 315 HZ2 TRP 39 HZ2 TRP 39 4.005 -0.893 -11.275 316 HZ3 TRP 39 HZ3 TRP 39 2.271 0.103 -7.517 317 HH2 TRP 39 HH2 TRP 39 3.922 -1.120 -8.834 318 H ASN 40 H ASN 40 -3.941 3.294 -11.217 319 HA ASN 40 HA ASN 40 -4.355 5.221 -9.162 320 HB2 ASN 40 HB2 ASN 40 -6.298 3.912 -11.104 321 HB3 ASN 40 HB3 ASN 40 -6.836 5.085 -9.910 322 HD21 ASN 40 HD21 ASN 40 -5.246 4.631 -12.887 323 HD22 ASN 40 HD22 ASN 40 -4.987 6.278 -13.257 324 H LYS 41 H LYS 41 -5.583 1.904 -9.630 325 HA LYS 41 HA LYS 41 -7.034 1.459 -7.295 326 HB2 LYS 41 HB2 LYS 41 -5.111 -0.427 -8.721 327 HB3 LYS 41 HB3 LYS 41 -6.202 -0.953 -7.444 328 HG2 LYS 41 HG2 LYS 41 -7.113 0.276 -10.065 329 HG3 LYS 41 HG3 LYS 41 -6.956 -1.464 -9.766 330 HD2 LYS 41 HD2 LYS 41 -8.549 -1.001 -7.714 331 HD3 LYS 41 HD3 LYS 41 -8.931 0.503 -8.566 332 HE2 LYS 41 HE2 LYS 41 -10.557 -1.252 -9.114 333 HE3 LYS 41 HE3 LYS 41 -9.623 -0.825 -10.546 334 HZ1 LYS 41 HZ1 LYS 41 -9.202 -3.196 -8.811 335 HZ2 LYS 41 HZ2 LYS 41 -8.203 -2.771 -10.103 336 HZ3 LYS 41 HZ3 LYS 41 -9.816 -3.196 -10.383 337 H ILE 42 H ILE 42 -3.545 0.863 -7.750 338 HA ILE 42 HA ILE 42 -3.026 -0.033 -5.110 339 HB ILE 42 HB ILE 42 -1.175 0.924 -7.336 340 HG12 ILE 42 HG12 ILE 42 -1.735 -1.939 -6.433 341 HG13 ILE 42 HG13 ILE 42 -2.701 -1.146 -7.669 342 HG21 ILE 42 HG21 ILE 42 -0.389 -0.533 -4.781 343 HG22 ILE 42 HG22 ILE 42 0.060 1.117 -5.221 344 HG23 ILE 42 HG23 ILE 42 0.675 -0.244 -6.161 345 HD11 ILE 42 HD11 ILE 42 -0.717 -0.930 -9.078 346 HD12 ILE 42 HD12 ILE 42 -1.040 -2.605 -8.635 347 HD13 ILE 42 HD13 ILE 42 0.253 -1.718 -7.829 348 H TYR 43 H TYR 43 -2.527 3.147 -6.665 349 HA TYR 43 HA TYR 43 -1.211 4.482 -4.574 350 HB2 TYR 43 HB2 TYR 43 -1.317 5.451 -6.813 351 HB3 TYR 43 HB3 TYR 43 -3.068 5.581 -6.726 352 HD1 TYR 43 HD2 TYR 43 -0.034 6.725 -4.814 353 HD2 TYR 43 HD1 TYR 43 -3.948 7.715 -6.217 354 HE1 TYR 43 HE2 TYR 43 0.185 8.966 -3.848 355 HE2 TYR 43 HE1 TYR 43 -3.726 9.967 -5.257 356 HH TYR 43 HH TYR 43 -2.431 11.066 -3.441 357 H ARG 44 H ARG 44 -4.702 4.270 -5.285 358 HA ARG 44 HA ARG 44 -5.553 5.950 -3.126 359 HB2 ARG 44 HB2 ARG 44 -7.123 4.001 -4.856 360 HB3 ARG 44 HB3 ARG 44 -7.852 5.162 -3.744 361 HG2 ARG 44 HG2 ARG 44 -7.009 7.035 -5.038 362 HG3 ARG 44 HG3 ARG 44 -6.060 5.957 -6.067 363 HD2 ARG 44 HD2 ARG 44 -8.206 4.919 -6.858 364 HD3 ARG 44 HD3 ARG 44 -9.094 6.141 -5.937 365 HE ARG 44 HE ARG 44 -7.513 7.680 -7.467 366 HH11 ARG 44 HH11 ARG 44 -9.518 5.003 -8.360 367 HH12 ARG 44 HH12 ARG 44 -9.760 5.589 -9.966 368 HH21 ARG 44 HH21 ARG 44 -7.807 8.381 -9.526 369 HH22 ARG 44 HH22 ARG 44 -8.785 7.475 -10.626 370 H LEU 45 H LEU 45 -5.271 2.415 -3.474 371 HA LEU 45 HA LEU 45 -6.486 1.742 -0.969 372 HB2 LEU 45 HB2 LEU 45 -4.528 0.137 -2.659 373 HB3 LEU 45 HB3 LEU 45 -5.439 -0.503 -1.299 374 HG LEU 45 HG LEU 45 -6.657 0.520 -3.902 375 HD11 LEU 45 HD11 LEU 45 -7.209 -1.815 -4.389 376 HD12 LEU 45 HD12 LEU 45 -6.361 -2.336 -2.928 377 HD13 LEU 45 HD13 LEU 45 -5.466 -1.581 -4.250 378 HD21 LEU 45 HD21 LEU 45 -8.786 -0.369 -3.076 379 HD22 LEU 45 HD22 LEU 45 -8.169 0.896 -2.020 380 HD23 LEU 45 HD23 LEU 45 -8.028 -0.797 -1.540 381 H VAL 46 H VAL 46 -3.103 2.317 -1.962 382 HA VAL 46 HA VAL 46 -1.886 1.857 0.584 383 HB VAL 46 HB VAL 46 -0.925 3.346 -1.895 384 HG11 VAL 46 HG11 VAL 46 0.159 4.469 0.006 385 HG12 VAL 46 HG12 VAL 46 1.339 3.471 -0.845 386 HG13 VAL 46 HG13 VAL 46 0.643 2.910 0.678 387 HG21 VAL 46 HG21 VAL 46 0.645 1.426 -2.082 388 HG22 VAL 46 HG22 VAL 46 -1.035 0.884 -2.077 389 HG23 VAL 46 HG23 VAL 46 -0.051 0.719 -0.620 390 H HIS 47 H HIS 47 -3.313 4.740 -0.918 391 HA HIS 47 HA HIS 47 -2.636 6.702 0.983 392 HB2 HIS 47 HB2 HIS 47 -3.759 7.299 -1.130 393 HB3 HIS 47 HB3 HIS 47 -5.210 6.433 -0.643 394 HD1 HIS 47 HD1 HIS 47 -6.630 7.545 1.347 395 HD2 HIS 47 HD2 HIS 47 -3.566 9.902 -0.181 396 HE1 HIS 47 HE1 HIS 47 -7.071 9.862 2.184 397 HE2 HIS 47 HE2 HIS 47 -5.235 11.268 1.221 398 H THR 48 H THR 48 -5.287 4.338 0.901 399 HA THR 48 HA THR 48 -6.532 5.095 3.339 400 HB THR 48 HB THR 48 -6.611 2.396 1.933 401 HG1 THR 48 HG1 THR 48 -8.376 4.645 1.785 402 HG21 THR 48 HG21 THR 48 -8.504 3.577 4.018 403 HG22 THR 48 HG22 THR 48 -7.414 2.210 4.270 404 HG23 THR 48 HG23 THR 48 -8.762 2.061 3.143 405 H MET 49 H MET 49 -4.029 2.630 2.576 406 HA MET 49 HA MET 49 -3.638 1.571 5.161 407 HB2 MET 49 HB2 MET 49 -1.577 1.967 2.952 408 HB3 MET 49 HB3 MET 49 -1.343 0.947 4.369 409 HG2 MET 49 HG2 MET 49 -3.162 -0.492 3.651 410 HG3 MET 49 HG3 MET 49 -3.475 0.556 2.272 411 HE1 MET 49 HE1 MET 49 -3.384 -1.465 0.667 412 HE2 MET 49 HE2 MET 49 -3.032 -2.580 1.991 413 HE3 MET 49 HE3 MET 49 -2.025 -2.587 0.544 414 H LYS 50 H LYS 50 -2.360 4.506 3.665 415 HA LYS 50 HA LYS 50 -0.439 5.147 5.663 416 HB2 LYS 50 HB2 LYS 50 -0.452 6.086 3.309 417 HB3 LYS 50 HB3 LYS 50 -1.817 7.096 3.765 418 HG2 LYS 50 HG2 LYS 50 -0.421 8.207 5.494 419 HG3 LYS 50 HG3 LYS 50 0.945 7.187 5.041 420 HD2 LYS 50 HD2 LYS 50 1.228 9.366 4.008 421 HD3 LYS 50 HD3 LYS 50 0.883 8.185 2.742 422 HE2 LYS 50 HE2 LYS 50 -0.377 10.236 2.323 423 HE3 LYS 50 HE3 LYS 50 -1.500 8.936 2.732 424 HZ1 LYS 50 HZ1 LYS 50 -2.018 11.036 3.842 425 HZ2 LYS 50 HZ2 LYS 50 -0.527 10.997 4.638 426 HZ3 LYS 50 HZ3 LYS 50 -1.681 9.807 4.951 427 H GLU 51 H GLU 51 -3.734 6.450 5.027 428 HA GLU 51 HA GLU 51 -3.866 8.097 7.318 429 HB2 GLU 51 HB2 GLU 51 -6.249 8.345 6.892 430 HB3 GLU 51 HB3 GLU 51 -5.382 8.371 5.360 431 HG2 GLU 51 HG2 GLU 51 -6.003 5.935 5.085 432 HG3 GLU 51 HG3 GLU 51 -7.040 6.105 6.501 433 H ILE 52 H ILE 52 -4.605 4.650 6.909 434 HA ILE 52 HA ILE 52 -5.752 4.081 9.425 435 HB ILE 52 HB ILE 52 -3.999 2.367 7.608 436 HG12 ILE 52 HG12 ILE 52 -6.990 2.203 8.204 437 HG13 ILE 52 HG13 ILE 52 -6.296 2.969 6.785 438 HG21 ILE 52 HG21 ILE 52 -3.660 1.504 9.882 439 HG22 ILE 52 HG22 ILE 52 -4.629 0.368 8.944 440 HG23 ILE 52 HG23 ILE 52 -5.406 1.415 10.135 441 HD11 ILE 52 HD11 ILE 52 -7.160 0.772 6.254 442 HD12 ILE 52 HD12 ILE 52 -6.123 0.034 7.474 443 HD13 ILE 52 HD13 ILE 52 -5.409 0.798 6.049 444 H THR 53 H THR 53 -2.263 3.803 8.485 445 HA THR 53 HA THR 53 -1.383 3.275 11.142 446 HB THR 53 HB THR 53 0.038 2.458 9.409 447 HG1 THR 53 HG1 THR 53 1.453 4.639 10.521 448 HG21 THR 53 HG21 THR 53 1.309 3.882 7.865 449 HG22 THR 53 HG22 THR 53 0.481 5.309 8.491 450 HG23 THR 53 HG23 THR 53 -0.428 4.077 7.612 451 H GLU 54 H GLU 54 -1.850 6.304 9.413 452 HA GLU 54 HA GLU 54 -0.430 8.016 11.191 453 HB2 GLU 54 HB2 GLU 54 -2.705 8.586 9.253 454 HB3 GLU 54 HB3 GLU 54 -1.913 9.851 10.184 455 HG2 GLU 54 HG2 GLU 54 0.205 9.375 9.089 456 HG3 GLU 54 HG3 GLU 54 -0.504 8.015 8.228 457 H THR 55 H THR 55 -3.857 6.887 11.161 458 HA THR 55 HA THR 55 -4.522 8.403 13.554 459 HB THR 55 HB THR 55 -6.286 7.885 11.835 460 HG1 THR 55 HG1 THR 55 -7.630 6.836 13.846 461 HG21 THR 55 HG21 THR 55 -7.431 5.697 11.892 462 HG22 THR 55 HG22 THR 55 -6.197 5.071 12.987 463 HG23 THR 55 HG23 THR 55 -5.762 5.524 11.338 464 H MET 56 H MET 56 -3.255 5.200 12.899 465 HA MET 56 HA MET 56 -3.608 4.089 15.521 466 HB2 MET 56 HB2 MET 56 -1.478 3.484 13.414 467 HB3 MET 56 HB3 MET 56 -1.741 2.533 14.871 468 HG2 MET 56 HG2 MET 56 -3.754 2.890 12.643 469 HG3 MET 56 HG3 MET 56 -2.716 1.485 12.879 470 HE1 MET 56 HE1 MET 56 -4.805 -0.154 12.833 471 HE2 MET 56 HE2 MET 56 -5.847 1.240 12.528 472 HE3 MET 56 HE3 MET 56 -6.255 0.096 13.808 473 H GLY 57 H GLY 57 -1.388 6.407 14.160 474 HA2 GLY 57 HA2 GLY 57 -0.206 7.996 15.472 475 HA3 GLY 57 HA3 GLY 57 -0.102 6.837 16.786 476 H PHE 58 H PHE 58 0.631 5.318 13.864 477 HA PHE 58 HA PHE 58 3.482 5.190 14.487 478 HB2 PHE 58 HB2 PHE 58 1.727 3.755 12.475 479 HB3 PHE 58 HB3 PHE 58 3.449 3.459 12.607 480 HD1 PHE 58 HD2 PHE 58 4.147 3.078 15.267 481 HD2 PHE 58 HD1 PHE 58 0.384 2.131 13.467 482 HE1 PHE 58 HE2 PHE 58 3.713 1.419 17.027 483 HE2 PHE 58 HE1 PHE 58 -0.046 0.477 15.233 484 HZ PHE 58 HZ PHE 58 1.628 0.123 17.013 485 H SER 59 H SER 59 4.400 7.120 13.867 486 HA SER 59 HA SER 59 3.915 8.447 11.370 487 HB2 SER 59 HB2 SER 59 6.261 8.791 13.285 488 HB3 SER 59 HB3 SER 59 5.754 9.929 12.033 489 HG SER 59 HG SER 59 3.989 10.455 13.210 490 H SER 60 H SER 60 6.502 6.303 12.577 491 HA SER 60 HA SER 60 8.270 6.412 10.384 492 HB2 SER 60 HB2 SER 60 7.798 4.145 12.365 493 HB3 SER 60 HB3 SER 60 9.191 4.263 11.288 494 HG SER 60 HG SER 60 9.325 5.104 13.569 495 H VAL 61 H VAL 61 5.563 4.176 11.039 496 HA VAL 61 HA VAL 61 5.877 2.581 8.681 497 HB VAL 61 HB VAL 61 3.328 2.990 10.296 498 HG11 VAL 61 HG11 VAL 61 4.173 0.660 8.524 499 HG12 VAL 61 HG12 VAL 61 2.926 1.854 8.148 500 HG13 VAL 61 HG13 VAL 61 2.696 0.732 9.491 501 HG21 VAL 61 HG21 VAL 61 5.151 2.344 11.814 502 HG22 VAL 61 HG22 VAL 61 5.538 0.956 10.791 503 HG23 VAL 61 HG23 VAL 61 3.989 1.027 11.638 504 H ALA 62 H ALA 62 3.862 5.419 9.490 505 HA ALA 62 HA ALA 62 2.423 5.719 7.102 506 HB1 ALA 62 HB1 ALA 62 1.935 7.060 9.096 507 HB2 ALA 62 HB2 ALA 62 2.213 8.112 7.700 508 HB3 ALA 62 HB3 ALA 62 3.471 7.915 8.927 509 H LYS 63 H LYS 63 5.761 6.659 7.866 510 HA LYS 63 HA LYS 63 6.292 8.118 5.474 511 HB2 LYS 63 HB2 LYS 63 8.176 6.767 7.446 512 HB3 LYS 63 HB3 LYS 63 8.725 7.770 6.099 513 HG2 LYS 63 HG2 LYS 63 7.481 9.700 7.047 514 HG3 LYS 63 HG3 LYS 63 6.960 8.691 8.396 515 HD2 LYS 63 HD2 LYS 63 8.843 10.093 9.079 516 HD3 LYS 63 HD3 LYS 63 9.319 8.394 9.089 517 HE2 LYS 63 HE2 LYS 63 10.512 8.678 6.969 518 HE3 LYS 63 HE3 LYS 63 9.941 10.340 6.830 519 HZ1 LYS 63 HZ1 LYS 63 11.190 10.894 8.808 520 HZ2 LYS 63 HZ2 LYS 63 12.206 10.234 7.630 521 HZ3 LYS 63 HZ3 LYS 63 11.727 9.303 8.954 522 H VAL 64 H VAL 64 6.644 4.657 6.286 523 HA VAL 64 HA VAL 64 7.952 3.795 3.927 524 HB VAL 64 HB VAL 64 5.862 2.214 5.501 525 HG11 VAL 64 HG11 VAL 64 8.102 1.200 3.693 526 HG12 VAL 64 HG12 VAL 64 6.390 1.233 3.266 527 HG13 VAL 64 HG13 VAL 64 6.953 0.198 4.585 528 HG21 VAL 64 HG21 VAL 64 7.751 1.241 6.777 529 HG22 VAL 64 HG22 VAL 64 7.646 2.987 7.017 530 HG23 VAL 64 HG23 VAL 64 8.875 2.318 5.940 531 H LEU 65 H LEU 65 4.483 4.036 4.694 532 HA LEU 65 HA LEU 65 3.524 3.324 2.095 533 HB2 LEU 65 HB2 LEU 65 2.219 4.638 4.504 534 HB3 LEU 65 HB3 LEU 65 1.334 4.411 3.008 535 HG LEU 65 HG LEU 65 0.793 2.649 4.629 536 HD11 LEU 65 HD11 LEU 65 1.147 0.685 3.203 537 HD12 LEU 65 HD12 LEU 65 2.368 1.559 2.272 538 HD13 LEU 65 HD13 LEU 65 0.685 2.092 2.248 539 HD21 LEU 65 HD21 LEU 65 2.827 2.536 5.920 540 HD22 LEU 65 HD22 LEU 65 3.736 1.930 4.534 541 HD23 LEU 65 HD23 LEU 65 2.470 0.933 5.274 542 H HIS 66 H HIS 66 4.507 6.347 3.564 543 HA HIS 66 HA HIS 66 3.343 8.160 1.698 544 HB2 HIS 66 HB2 HIS 66 4.149 8.752 4.016 545 HB3 HIS 66 HB3 HIS 66 5.802 8.619 3.445 546 HD1 HIS 66 HD1 HIS 66 6.677 10.551 1.927 547 HD2 HIS 66 HD2 HIS 66 2.775 11.066 3.251 548 HE1 HIS 66 HE1 HIS 66 6.105 12.929 1.390 549 HE2 HIS 66 HE2 HIS 66 3.754 13.235 2.232 550 H THR 67 H THR 67 6.339 6.258 1.698 551 HA THR 67 HA THR 67 7.569 7.658 -0.526 552 HB THR 67 HB THR 67 9.138 5.811 -0.774 553 HG1 THR 67 HG1 THR 67 7.974 4.250 1.242 554 HG21 THR 67 HG21 THR 67 8.605 6.265 2.174 555 HG22 THR 67 HG22 THR 67 9.592 7.293 1.132 556 HG23 THR 67 HG23 THR 67 10.100 5.639 1.481 557 H ILE 68 H ILE 68 5.310 4.986 -0.195 558 HA ILE 68 HA ILE 68 5.389 4.129 -2.944 559 HB ILE 68 HB ILE 68 3.093 3.561 -1.026 560 HG12 ILE 68 HG12 ILE 68 5.029 2.999 0.294 561 HG13 ILE 68 HG13 ILE 68 4.392 1.482 -0.325 562 HG21 ILE 68 HG21 ILE 68 2.906 1.440 -2.284 563 HG22 ILE 68 HG22 ILE 68 4.258 1.919 -3.313 564 HG23 ILE 68 HG23 ILE 68 2.749 2.837 -3.353 565 HD11 ILE 68 HD11 ILE 68 6.757 2.967 -1.468 566 HD12 ILE 68 HD12 ILE 68 6.156 1.379 -1.970 567 HD13 ILE 68 HD13 ILE 68 6.823 1.608 -0.350 568 H MET 69 H MET 69 3.356 6.275 -1.029 569 HA MET 69 HA MET 69 1.374 7.033 -2.828 570 HB2 MET 69 HB2 MET 69 2.897 8.713 -0.794 571 HB3 MET 69 HB3 MET 69 1.445 9.263 -1.623 572 HG2 MET 69 HG2 MET 69 1.486 6.776 0.075 573 HG3 MET 69 HG3 MET 69 1.151 8.378 0.724 574 HE1 MET 69 HE1 MET 69 -0.530 9.754 -1.609 575 HE2 MET 69 HE2 MET 69 -0.943 9.820 0.104 576 HE3 MET 69 HE3 MET 69 -2.160 9.345 -1.081 577 H ASN 70 H ASN 70 4.585 8.515 -2.357 578 HA ASN 70 HA ASN 70 4.483 10.338 -4.525 579 HB2 ASN 70 HB2 ASN 70 6.037 10.535 -2.585 580 HB3 ASN 70 HB3 ASN 70 6.906 9.102 -3.140 581 HD21 ASN 70 HD21 ASN 70 5.693 11.676 -5.284 582 HD22 ASN 70 HD22 ASN 70 7.251 12.240 -5.752 583 H LEU 71 H LEU 71 5.748 7.058 -4.219 584 HA LEU 71 HA LEU 71 7.242 6.780 -6.563 585 HB2 LEU 71 HB2 LEU 71 6.937 5.267 -4.420 586 HB3 LEU 71 HB3 LEU 71 5.664 4.490 -5.335 587 HG LEU 71 HG LEU 71 8.593 4.611 -6.174 588 HD11 LEU 71 HD11 LEU 71 8.323 3.266 -4.135 589 HD12 LEU 71 HD12 LEU 71 8.713 2.238 -5.510 590 HD13 LEU 71 HD13 LEU 71 7.054 2.308 -4.907 591 HD21 LEU 71 HD21 LEU 71 7.145 4.351 -8.120 592 HD22 LEU 71 HD22 LEU 71 6.281 3.020 -7.349 593 HD23 LEU 71 HD23 LEU 71 7.980 2.830 -7.799 594 H VAL 72 H VAL 72 3.920 5.687 -5.960 595 HA VAL 72 HA VAL 72 3.376 4.895 -8.644 596 HB VAL 72 HB VAL 72 1.463 5.261 -6.297 597 HG11 VAL 72 HG11 VAL 72 1.145 3.738 -8.906 598 HG12 VAL 72 HG12 VAL 72 0.258 5.188 -8.422 599 HG13 VAL 72 HG13 VAL 72 0.011 3.672 -7.552 600 HG21 VAL 72 HG21 VAL 72 2.939 2.754 -7.230 601 HG22 VAL 72 HG22 VAL 72 1.734 2.815 -5.942 602 HG23 VAL 72 HG23 VAL 72 3.272 3.657 -5.747 603 H ASP 73 H ASP 73 2.573 7.792 -6.727 604 HA ASP 73 HA ASP 73 0.789 9.017 -8.570 605 HB2 ASP 73 HB2 ASP 73 1.119 9.685 -6.135 606 HB3 ASP 73 HB3 ASP 73 2.622 10.469 -6.610 607 H LYS 74 H LYS 74 4.324 8.982 -8.370 608 HA LYS 74 HA LYS 74 4.883 10.827 -10.470 609 HB2 LYS 74 HB2 LYS 74 6.454 8.543 -9.259 610 HB3 LYS 74 HB3 LYS 74 7.078 9.448 -10.633 611 HG2 LYS 74 HG2 LYS 74 6.902 11.546 -9.260 612 HG3 LYS 74 HG3 LYS 74 6.449 10.547 -7.871 613 HD2 LYS 74 HD2 LYS 74 9.064 10.423 -9.423 614 HD3 LYS 74 HD3 LYS 74 8.845 11.101 -7.809 615 HE2 LYS 74 HE2 LYS 74 8.345 8.888 -6.902 616 HE3 LYS 74 HE3 LYS 74 8.381 8.174 -8.517 617 HZ1 LYS 74 HZ1 LYS 74 10.423 7.756 -7.353 618 HZ2 LYS 74 HZ2 LYS 74 10.676 9.406 -7.099 619 HZ3 LYS 74 HZ3 LYS 74 10.720 8.773 -8.666 620 H MET 75 H MET 75 4.463 7.278 -10.416 621 HA MET 75 HA MET 75 5.064 6.577 -13.051 622 HB2 MET 75 HB2 MET 75 2.989 5.396 -11.156 623 HB3 MET 75 HB3 MET 75 3.441 4.640 -12.677 624 HG2 MET 75 HG2 MET 75 5.682 4.246 -11.883 625 HG3 MET 75 HG3 MET 75 5.363 5.170 -10.403 626 HE1 MET 75 HE1 MET 75 6.496 2.502 -9.670 627 HE2 MET 75 HE2 MET 75 6.089 1.774 -11.224 628 HE3 MET 75 HE3 MET 75 5.460 1.077 -9.733 629 H LEU 76 H LEU 76 2.062 7.797 -11.675 630 HA LEU 76 HA LEU 76 0.190 7.436 -13.702 631 HB2 LEU 76 HB2 LEU 76 -0.025 8.330 -11.260 632 HB3 LEU 76 HB3 LEU 76 0.320 9.913 -11.944 633 HG LEU 76 HG LEU 76 -1.743 9.702 -13.376 634 HD11 LEU 76 HD11 LEU 76 -1.890 7.260 -13.520 635 HD12 LEU 76 HD12 LEU 76 -3.389 7.932 -12.885 636 HD13 LEU 76 HD13 LEU 76 -2.240 7.156 -11.792 637 HD21 LEU 76 HD21 LEU 76 -1.829 10.909 -11.235 638 HD22 LEU 76 HD22 LEU 76 -2.217 9.411 -10.386 639 HD23 LEU 76 HD23 LEU 76 -3.357 10.086 -11.552 640 H ASN 77 H ASN 77 2.811 9.727 -13.583 641 HA ASN 77 HA ASN 77 1.798 11.415 -15.777 642 HB2 ASN 77 HB2 ASN 77 4.240 11.728 -13.969 643 HB3 ASN 77 HB3 ASN 77 3.707 12.892 -15.180 644 HD21 ASN 77 HD21 ASN 77 2.909 11.413 -12.104 645 HD22 ASN 77 HD22 ASN 77 1.787 12.625 -11.603 646 H SER 78 H SER 78 3.009 11.791 -17.663 647 HA SER 78 HA SER 78 4.131 9.498 -18.907 648 HB2 SER 78 HB2 SER 78 4.060 12.398 -19.839 649 HB3 SER 78 HB3 SER 78 4.434 11.014 -20.871 650 HG SER 78 HG SER 78 2.315 11.299 -21.178 651 H GLU 79 H GLU 79 5.622 11.981 -17.045 652 HA GLU 79 HA GLU 79 8.202 12.052 -18.307 653 HB2 GLU 79 HB2 GLU 79 8.887 13.304 -16.248 654 HB3 GLU 79 HB3 GLU 79 7.442 13.952 -17.007 655 HG2 GLU 79 HG2 GLU 79 6.032 12.844 -15.316 656 HG3 GLU 79 HG3 GLU 79 7.467 12.183 -14.546 657 H ILE 80 H ILE 80 6.700 9.849 -16.139 658 HA ILE 80 HA ILE 80 9.276 8.703 -15.198 659 HB ILE 80 HB ILE 80 6.496 8.562 -13.945 660 HG12 ILE 80 HG12 ILE 80 7.616 10.815 -13.800 661 HG13 ILE 80 HG13 ILE 80 7.303 10.095 -12.250 662 HG21 ILE 80 HG21 ILE 80 7.726 6.513 -13.424 663 HG22 ILE 80 HG22 ILE 80 7.600 7.520 -11.981 664 HG23 ILE 80 HG23 ILE 80 9.121 7.449 -12.876 665 HD11 ILE 80 HD11 ILE 80 9.457 11.206 -12.315 666 HD12 ILE 80 HD12 ILE 80 9.977 10.166 -13.641 667 HD13 ILE 80 HD13 ILE 80 9.659 9.476 -12.046 668 H LYS 81 H LYS 81 9.798 6.773 -15.997 669 HA LYS 81 HA LYS 81 7.868 5.103 -17.428 670 HB2 LYS 81 HB2 LYS 81 10.902 4.990 -17.166 671 HB3 LYS 81 HB3 LYS 81 9.989 3.670 -17.880 672 HG2 LYS 81 HG2 LYS 81 10.845 5.017 -19.663 673 HG3 LYS 81 HG3 LYS 81 9.096 5.242 -19.599 674 HD2 LYS 81 HD2 LYS 81 9.424 7.421 -18.450 675 HD3 LYS 81 HD3 LYS 81 11.175 7.189 -18.503 676 HE2 LYS 81 HE2 LYS 81 11.093 7.202 -20.980 677 HE3 LYS 81 HE3 LYS 81 9.344 7.439 -20.919 678 HZ1 LYS 81 HZ1 LYS 81 9.730 9.532 -19.761 679 HZ2 LYS 81 HZ2 LYS 81 10.465 9.510 -21.279 680 HZ3 LYS 81 HZ3 LYS 81 11.399 9.307 -19.886 681 H ILE 82 H ILE 82 7.104 3.205 -16.730 682 HA ILE 82 HA ILE 82 7.650 2.348 -13.977 683 HB ILE 82 HB ILE 82 5.512 1.247 -15.876 684 HG12 ILE 82 HG12 ILE 82 3.888 2.601 -14.341 685 HG13 ILE 82 HG13 ILE 82 5.305 3.520 -13.847 686 HG21 ILE 82 HG21 ILE 82 4.479 0.333 -13.821 687 HG22 ILE 82 HG22 ILE 82 5.831 0.953 -12.868 688 HG23 ILE 82 HG23 ILE 82 6.107 -0.302 -14.079 689 HD11 ILE 82 HD11 ILE 82 4.208 3.301 -16.645 690 HD12 ILE 82 HD12 ILE 82 5.625 4.241 -16.165 691 HD13 ILE 82 HD13 ILE 82 4.030 4.671 -15.548 692 H THR 83 H THR 83 9.605 1.315 -14.093 693 HA THR 83 HA THR 83 10.133 -0.718 -16.086 694 HB THR 83 HB THR 83 12.293 -1.068 -14.930 695 HG1 THR 83 HG1 THR 83 12.753 -0.226 -13.000 696 HG21 THR 83 HG21 THR 83 11.642 1.887 -15.193 697 HG22 THR 83 HG22 THR 83 12.160 0.829 -16.508 698 HG23 THR 83 HG23 THR 83 13.264 1.187 -15.179 699 H SER 84 H SER 84 10.533 -2.961 -15.608 700 HA SER 84 HA SER 84 8.553 -4.292 -14.153 701 HB2 SER 84 HB2 SER 84 9.778 -5.372 -15.986 702 HB3 SER 84 HB3 SER 84 11.273 -5.339 -15.052 703 HG SER 84 HG SER 84 9.524 -7.254 -15.118 704 H ASP 85 H ASP 85 11.903 -3.581 -13.188 705 HA ASP 85 HA ASP 85 11.724 -4.786 -10.578 706 HB2 ASP 85 HB2 ASP 85 13.786 -2.913 -11.782 707 HB3 ASP 85 HB3 ASP 85 13.944 -3.685 -10.204 708 H LEU 86 H LEU 86 10.784 -1.664 -11.799 709 HA LEU 86 HA LEU 86 10.943 -0.294 -9.275 710 HB2 LEU 86 HB2 LEU 86 10.775 0.765 -11.654 711 HB3 LEU 86 HB3 LEU 86 9.046 0.503 -11.498 712 HG LEU 86 HG LEU 86 9.257 1.803 -9.250 713 HD11 LEU 86 HD11 LEU 86 11.131 3.456 -9.202 714 HD12 LEU 86 HD12 LEU 86 11.883 2.601 -10.558 715 HD13 LEU 86 HD13 LEU 86 11.658 1.783 -9.008 716 HD21 LEU 86 HD21 LEU 86 8.988 3.975 -10.390 717 HD22 LEU 86 HD22 LEU 86 8.104 2.705 -11.235 718 HD23 LEU 86 HD23 LEU 86 9.638 3.294 -11.885 719 H ILE 87 H ILE 87 8.426 -2.045 -11.006 720 HA ILE 87 HA ILE 87 6.258 -1.759 -9.208 721 HB ILE 87 HB ILE 87 6.923 -4.268 -10.819 722 HG12 ILE 87 HG12 ILE 87 5.349 -1.870 -11.865 723 HG13 ILE 87 HG13 ILE 87 7.052 -2.135 -12.217 724 HG21 ILE 87 HG21 ILE 87 4.480 -4.613 -10.932 725 HG22 ILE 87 HG22 ILE 87 4.223 -3.157 -9.969 726 HG23 ILE 87 HG23 ILE 87 5.037 -4.551 -9.257 727 HD11 ILE 87 HD11 ILE 87 5.651 -2.835 -14.063 728 HD12 ILE 87 HD12 ILE 87 4.778 -3.958 -13.021 729 HD13 ILE 87 HD13 ILE 87 6.490 -4.223 -13.373 730 H ASP 88 H ASP 88 9.133 -3.767 -9.203 731 HA ASP 88 HA ASP 88 8.525 -5.604 -7.117 732 HB2 ASP 88 HB2 ASP 88 10.339 -5.967 -8.763 733 HB3 ASP 88 HB3 ASP 88 11.194 -4.569 -8.158 734 H LYS 89 H LYS 89 9.898 -2.314 -7.131 735 HA LYS 89 HA LYS 89 10.701 -2.206 -4.400 736 HB2 LYS 89 HB2 LYS 89 11.497 -0.595 -6.124 737 HB3 LYS 89 HB3 LYS 89 9.878 0.077 -6.243 738 HG2 LYS 89 HG2 LYS 89 9.982 1.002 -4.040 739 HG3 LYS 89 HG3 LYS 89 11.436 0.086 -3.641 740 HD2 LYS 89 HD2 LYS 89 11.514 2.084 -5.918 741 HD3 LYS 89 HD3 LYS 89 11.594 2.663 -4.255 742 HE2 LYS 89 HE2 LYS 89 13.844 2.398 -5.208 743 HE3 LYS 89 HE3 LYS 89 13.602 1.297 -3.859 744 HZ1 LYS 89 HZ1 LYS 89 13.412 0.552 -6.719 745 HZ2 LYS 89 HZ2 LYS 89 13.257 -0.500 -5.403 746 HZ3 LYS 89 HZ3 LYS 89 14.736 0.256 -5.717 747 H VAL 90 H VAL 90 7.679 -1.360 -6.051 748 HA VAL 90 HA VAL 90 6.176 -0.443 -3.811 749 HB VAL 90 HB VAL 90 5.056 -1.897 -6.262 750 HG11 VAL 90 HG11 VAL 90 3.038 -0.508 -5.901 751 HG12 VAL 90 HG12 VAL 90 3.783 0.209 -4.471 752 HG13 VAL 90 HG13 VAL 90 3.394 -1.512 -4.491 753 HG21 VAL 90 HG21 VAL 90 6.564 -0.156 -7.084 754 HG22 VAL 90 HG22 VAL 90 5.778 1.055 -6.063 755 HG23 VAL 90 HG23 VAL 90 4.889 0.308 -7.392 756 H LYS 91 H LYS 91 6.600 -3.630 -5.291 757 HA LYS 91 HA LYS 91 4.760 -5.187 -3.877 758 HB2 LYS 91 HB2 LYS 91 6.957 -5.653 -5.745 759 HB3 LYS 91 HB3 LYS 91 7.046 -6.858 -4.476 760 HG2 LYS 91 HG2 LYS 91 4.589 -6.315 -6.160 761 HG3 LYS 91 HG3 LYS 91 5.771 -7.594 -6.473 762 HD2 LYS 91 HD2 LYS 91 5.225 -8.617 -4.269 763 HD3 LYS 91 HD3 LYS 91 4.045 -7.333 -3.966 764 HE2 LYS 91 HE2 LYS 91 2.963 -9.411 -4.754 765 HE3 LYS 91 HE3 LYS 91 2.710 -8.083 -5.882 766 HZ1 LYS 91 HZ1 LYS 91 3.248 -10.038 -7.098 767 HZ2 LYS 91 HZ2 LYS 91 4.635 -10.315 -6.178 768 HZ3 LYS 91 HZ3 LYS 91 4.564 -8.985 -7.216 769 H LYS 92 H LYS 92 8.215 -4.667 -3.198 770 HA LYS 92 HA LYS 92 8.465 -6.388 -0.981 771 HB2 LYS 92 HB2 LYS 92 10.348 -5.608 -2.365 772 HB3 LYS 92 HB3 LYS 92 10.123 -3.978 -1.764 773 HG2 LYS 92 HG2 LYS 92 11.955 -4.816 -0.540 774 HG3 LYS 92 HG3 LYS 92 10.575 -4.919 0.564 775 HD2 LYS 92 HD2 LYS 92 10.327 -7.323 0.067 776 HD3 LYS 92 HD3 LYS 92 11.673 -7.235 -1.076 777 HE2 LYS 92 HE2 LYS 92 13.190 -6.601 0.788 778 HE3 LYS 92 HE3 LYS 92 11.838 -6.736 1.915 779 HZ1 LYS 92 HZ1 LYS 92 11.658 -9.079 1.323 780 HZ2 LYS 92 HZ2 LYS 92 13.182 -8.704 1.944 781 HZ3 LYS 92 HZ3 LYS 92 12.985 -8.928 0.283 782 H LYS 93 H LYS 93 7.732 -2.947 -1.185 783 HA LYS 93 HA LYS 93 7.744 -2.443 1.656 784 HB2 LYS 93 HB2 LYS 93 6.719 -0.823 -0.695 785 HB3 LYS 93 HB3 LYS 93 6.759 -0.227 0.960 786 HG2 LYS 93 HG2 LYS 93 9.181 -1.094 -0.651 787 HG3 LYS 93 HG3 LYS 93 8.669 0.578 -0.393 788 HD2 LYS 93 HD2 LYS 93 9.061 0.354 2.027 789 HD3 LYS 93 HD3 LYS 93 9.479 -1.352 1.826 790 HE2 LYS 93 HE2 LYS 93 11.480 0.105 2.071 791 HE3 LYS 93 HE3 LYS 93 11.459 -0.754 0.533 792 HZ1 LYS 93 HZ1 LYS 93 10.646 1.242 -0.538 793 HZ2 LYS 93 HZ2 LYS 93 12.100 1.552 0.262 794 HZ3 LYS 93 HZ3 LYS 93 10.638 2.066 0.934 795 H LEU 94 H LEU 94 5.302 -3.322 -0.697 796 HA LEU 94 HA LEU 94 2.998 -3.046 0.975 797 HB2 LEU 94 HB2 LEU 94 2.912 -3.087 -1.484 798 HB3 LEU 94 HB3 LEU 94 3.551 -4.712 -1.521 799 HG LEU 94 HG LEU 94 1.041 -4.361 -2.013 800 HD11 LEU 94 HD11 LEU 94 1.800 -6.438 0.045 801 HD12 LEU 94 HD12 LEU 94 1.994 -6.565 -1.705 802 HD13 LEU 94 HD13 LEU 94 0.379 -6.473 -1.007 803 HD21 LEU 94 HD21 LEU 94 0.869 -4.126 1.007 804 HD22 LEU 94 HD22 LEU 94 -0.489 -4.272 -0.114 805 HD23 LEU 94 HD23 LEU 94 0.537 -2.841 -0.159 806 H ASP 95 H ASP 95 5.269 -5.697 0.296 807 HA ASP 95 HA ASP 95 4.267 -7.713 1.973 808 HB2 ASP 95 HB2 ASP 95 7.067 -6.968 1.034 809 HB3 ASP 95 HB3 ASP 95 6.835 -8.339 2.099 810 H MET 96 H MET 96 6.419 -4.988 2.670 811 HA MET 96 HA MET 96 7.073 -5.457 5.356 812 HB2 MET 96 HB2 MET 96 8.374 -3.872 4.184 813 HB3 MET 96 HB3 MET 96 6.973 -3.007 3.595 814 HG2 MET 96 HG2 MET 96 8.175 -1.662 5.205 815 HG3 MET 96 HG3 MET 96 6.595 -2.093 5.857 816 HE1 MET 96 HE1 MET 96 8.904 -1.930 9.042 817 HE2 MET 96 HE2 MET 96 7.472 -1.271 8.247 818 HE3 MET 96 HE3 MET 96 9.078 -0.927 7.600 819 H VAL 97 H VAL 97 4.180 -3.894 3.967 820 HA VAL 97 HA VAL 97 3.087 -2.777 6.333 821 HB VAL 97 HB VAL 97 1.471 -3.903 3.990 822 HG11 VAL 97 HG11 VAL 97 -0.233 -2.204 4.625 823 HG12 VAL 97 HG12 VAL 97 0.759 -1.718 6.001 824 HG13 VAL 97 HG13 VAL 97 0.066 -3.341 5.943 825 HG21 VAL 97 HG21 VAL 97 3.181 -2.361 3.127 826 HG22 VAL 97 HG22 VAL 97 2.671 -1.119 4.273 827 HG23 VAL 97 HG23 VAL 97 1.576 -1.639 2.989 828 H THR 98 H THR 98 2.635 -6.006 4.865 829 HA THR 98 HA THR 98 0.899 -7.163 6.767 830 HB THR 98 HB THR 98 3.041 -8.646 5.166 831 HG1 THR 98 HG1 THR 98 0.864 -8.894 3.844 832 HG21 THR 98 HG21 THR 98 0.350 -9.596 6.228 833 HG22 THR 98 HG22 THR 98 1.928 -10.056 6.871 834 HG23 THR 98 HG23 THR 98 1.459 -10.550 5.242 835 H ARG 99 H ARG 99 4.446 -7.092 6.578 836 HA ARG 99 HA ARG 99 5.002 -8.823 8.761 837 HB2 ARG 99 HB2 ARG 99 6.516 -8.113 6.766 838 HB3 ARG 99 HB3 ARG 99 6.898 -6.682 7.711 839 HG2 ARG 99 HG2 ARG 99 7.344 -9.487 8.781 840 HG3 ARG 99 HG3 ARG 99 8.544 -8.674 7.783 841 HD2 ARG 99 HD2 ARG 99 9.021 -7.077 9.443 842 HD3 ARG 99 HD3 ARG 99 7.504 -7.347 10.294 843 HE ARG 99 HE ARG 99 9.928 -8.949 10.479 844 HH11 ARG 99 HH11 ARG 99 6.602 -8.632 11.395 845 HH12 ARG 99 HH12 ARG 99 6.737 -9.793 12.667 846 HH21 ARG 99 HH21 ARG 99 10.070 -10.402 12.134 847 HH22 ARG 99 HH22 ARG 99 8.676 -10.762 13.090 848 H GLU 100 H GLU 100 4.596 -5.319 8.550 849 HA GLU 100 HA GLU 100 5.541 -4.627 11.151 850 HB2 GLU 100 HB2 GLU 100 5.388 -3.036 9.244 851 HB3 GLU 100 HB3 GLU 100 3.632 -3.132 9.300 852 HG2 GLU 100 HG2 GLU 100 4.469 -1.071 10.340 853 HG3 GLU 100 HG3 GLU 100 3.605 -2.079 11.501 854 H LEU 101 H LEU 101 2.336 -5.389 9.841 855 HA LEU 101 HA LEU 101 0.858 -4.849 12.239 856 HB2 LEU 101 HB2 LEU 101 0.056 -4.872 9.776 857 HB3 LEU 101 HB3 LEU 101 -0.042 -6.610 9.930 858 HG LEU 101 HG LEU 101 -2.221 -5.285 10.172 859 HD11 LEU 101 HD11 LEU 101 -2.112 -7.608 10.860 860 HD12 LEU 101 HD12 LEU 101 -3.164 -6.677 11.922 861 HD13 LEU 101 HD13 LEU 101 -1.544 -7.131 12.462 862 HD21 LEU 101 HD21 LEU 101 -1.352 -3.446 11.530 863 HD22 LEU 101 HD22 LEU 101 -1.081 -4.551 12.882 864 HD23 LEU 101 HD23 LEU 101 -2.722 -4.235 12.311 865 H ASP 102 H ASP 102 2.480 -7.677 10.920 866 HA ASP 102 HA ASP 102 1.545 -9.735 12.585 867 HB2 ASP 102 HB2 ASP 102 2.963 -10.197 10.643 868 HB3 ASP 102 HB3 ASP 102 4.295 -9.292 11.348 869 H LYS 103 H LYS 103 4.026 -7.289 13.166 870 HA LYS 103 HA LYS 103 5.215 -8.268 15.528 871 HB2 LYS 103 HB2 LYS 103 4.878 -5.425 14.515 872 HB3 LYS 103 HB3 LYS 103 5.953 -5.872 15.837 873 HG2 LYS 103 HG2 LYS 103 7.405 -7.093 14.378 874 HG3 LYS 103 HG3 LYS 103 6.226 -7.069 13.064 875 HD2 LYS 103 HD2 LYS 103 8.078 -5.470 12.670 876 HD3 LYS 103 HD3 LYS 103 6.514 -4.662 12.779 877 HE2 LYS 103 HE2 LYS 103 7.059 -4.081 15.173 878 HE3 LYS 103 HE3 LYS 103 8.673 -4.754 14.921 879 HZ1 LYS 103 HZ1 LYS 103 8.648 -2.374 14.629 880 HZ2 LYS 103 HZ2 LYS 103 7.468 -2.490 13.425 881 HZ3 LYS 103 HZ3 LYS 103 9.013 -3.127 13.165 882 H LYS 104 H LYS 104 2.177 -6.556 15.079 883 HA LYS 104 HA LYS 104 1.701 -5.646 17.710 884 HB2 LYS 104 HB2 LYS 104 -0.056 -6.234 15.334 885 HB3 LYS 104 HB3 LYS 104 -0.842 -6.003 16.889 886 HG2 LYS 104 HG2 LYS 104 0.988 -3.993 15.534 887 HG3 LYS 104 HG3 LYS 104 -0.782 -3.932 15.569 888 HD2 LYS 104 HD2 LYS 104 -0.654 -3.841 18.094 889 HD3 LYS 104 HD3 LYS 104 1.105 -3.724 17.960 890 HE2 LYS 104 HE2 LYS 104 0.787 -1.622 16.619 891 HE3 LYS 104 HE3 LYS 104 -0.945 -1.726 16.942 892 HZ1 LYS 104 HZ1 LYS 104 -0.424 -1.632 19.324 893 HZ2 LYS 104 HZ2 LYS 104 0.092 -0.255 18.493 894 HZ3 LYS 104 HZ3 LYS 104 1.214 -1.435 18.952 895 H VAL 105 H VAL 105 0.930 -8.773 16.176 896 HA VAL 105 HA VAL 105 -0.116 -9.837 18.705 897 HB VAL 105 HB VAL 105 0.153 -11.268 16.017 898 HG11 VAL 105 HG11 VAL 105 -1.454 -12.900 16.986 899 HG12 VAL 105 HG12 VAL 105 -1.401 -12.046 18.529 900 HG13 VAL 105 HG13 VAL 105 0.048 -12.845 17.909 901 HG21 VAL 105 HG21 VAL 105 -2.280 -10.869 15.741 902 HG22 VAL 105 HG22 VAL 105 -1.384 -9.351 15.823 903 HG23 VAL 105 HG23 VAL 105 -2.295 -9.912 17.226 904 H SER 106 H SER 106 2.172 -11.113 16.257 905 HA SER 106 HA SER 106 4.070 -12.290 16.304 906 HB2 SER 106 HB2 SER 106 5.020 -10.254 17.317 907 HB3 SER 106 HB3 SER 106 4.610 -10.846 18.928 908 HG SER 106 HG SER 106 6.413 -11.892 18.895 909 H GLY 107 H GLY 107 3.505 -12.356 19.867 910 HA2 GLY 107 HA2 GLY 107 2.312 -14.382 20.766 911 HA3 GLY 107 HA3 GLY 107 3.381 -15.337 19.746 912 H SER 108 H SER 108 4.077 -16.468 21.635 913 HA SER 108 HA SER 108 5.569 -15.061 23.722 914 HB2 SER 108 HB2 SER 108 5.785 -17.330 24.742 915 HB3 SER 108 HB3 SER 108 4.108 -16.919 24.386 916 HG SER 108 HG SER 108 5.188 -19.096 23.706 917 H TYR 109 H TYR 109 7.727 -15.959 24.388 918 HA TYR 109 HA TYR 109 9.942 -16.228 24.084 919 HB2 TYR 109 HB2 TYR 109 9.126 -17.917 21.683 920 HB3 TYR 109 HB3 TYR 109 10.770 -17.817 22.303 921 HD1 TYR 109 HD1 TYR 109 7.364 -19.115 22.981 922 HD2 TYR 109 HD2 TYR 109 11.407 -18.998 24.370 923 HE1 TYR 109 HE1 TYR 109 6.885 -20.952 24.544 924 HE2 TYR 109 HE2 TYR 109 10.926 -20.836 25.929 925 HH TYR 109 HH TYR 109 8.937 -21.808 27.080 926 H LEU 110 H LEU 110 9.039 -16.079 20.605 927 HA LEU 110 HA LEU 110 11.141 -14.210 20.031 928 HB2 LEU 110 HB2 LEU 110 8.885 -15.215 18.257 929 HB3 LEU 110 HB3 LEU 110 10.276 -14.289 17.705 930 HG LEU 110 HG LEU 110 10.317 -17.124 18.831 931 HD11 LEU 110 HD11 LEU 110 11.088 -17.774 16.595 932 HD12 LEU 110 HD12 LEU 110 10.945 -16.105 16.042 933 HD13 LEU 110 HD13 LEU 110 9.505 -17.002 16.528 934 HD21 LEU 110 HD21 LEU 110 12.683 -15.415 17.964 935 HD22 LEU 110 HD22 LEU 110 12.748 -17.132 18.373 936 HD23 LEU 110 HD23 LEU 110 12.320 -15.953 19.608 937 H VAL 111 H VAL 111 10.700 -12.368 21.230 938 HA VAL 111 HA VAL 111 8.636 -10.555 20.103 939 HB VAL 111 HB VAL 111 8.427 -9.446 22.345 940 HG11 VAL 111 HG11 VAL 111 6.735 -11.126 21.709 941 HG12 VAL 111 HG12 VAL 111 7.018 -11.161 23.450 942 HG13 VAL 111 HG13 VAL 111 7.719 -12.411 22.419 943 HG21 VAL 111 HG21 VAL 111 10.599 -10.081 23.340 944 HG22 VAL 111 HG22 VAL 111 10.097 -11.771 23.406 945 HG23 VAL 111 HG23 VAL 111 9.274 -10.569 24.404 946 HA PRO 112 HA PRO 112 12.102 -7.734 19.249 947 HB2 PRO 112 HB2 PRO 112 10.135 -5.594 20.102 948 HB3 PRO 112 HB3 PRO 112 11.146 -5.683 18.650 949 HG2 PRO 112 HG2 PRO 112 8.554 -6.226 18.465 950 HG3 PRO 112 HG3 PRO 112 9.724 -7.250 17.601 951 HD2 PRO 112 HD2 PRO 112 8.276 -7.801 20.198 952 HD3 PRO 112 HD3 PRO 112 8.582 -8.893 18.826 953 H ARG 113 H ARG 113 13.764 -6.912 20.465 954 HA ARG 113 HA ARG 113 13.830 -7.472 23.249 955 HB2 ARG 113 HB2 ARG 113 15.765 -7.770 21.723 956 HB3 ARG 113 HB3 ARG 113 15.880 -6.030 21.519 957 HG2 ARG 113 HG2 ARG 113 17.594 -6.590 23.047 958 HG3 ARG 113 HG3 ARG 113 16.317 -5.884 24.037 959 HD2 ARG 113 HD2 ARG 113 16.830 -8.865 23.698 960 HD3 ARG 113 HD3 ARG 113 17.355 -7.902 25.077 961 HE ARG 113 HE ARG 113 14.653 -8.830 24.473 962 HH11 ARG 113 HH11 ARG 113 16.575 -6.835 26.549 963 HH12 ARG 113 HH12 ARG 113 15.383 -6.826 27.795 964 HH21 ARG 113 HH21 ARG 113 13.157 -8.775 26.087 965 HH22 ARG 113 HH22 ARG 113 13.486 -7.896 27.540 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -20.972 6.984 21.138 2 H2 MET 1 H2 MET 1 -20.513 5.360 21.042 3 H3 MET 1 H3 MET 1 -21.383 6.066 19.778 4 HA MET 1 HA MET 1 -19.056 5.796 19.209 5 HB2 MET 1 HB2 MET 1 -20.331 7.620 18.174 6 HB3 MET 1 HB3 MET 1 -20.008 8.679 19.541 7 HG2 MET 1 HG2 MET 1 -18.628 9.194 17.539 8 HG3 MET 1 HG3 MET 1 -17.657 8.798 18.961 9 HE1 MET 1 HE1 MET 1 -15.460 8.332 17.502 10 HE2 MET 1 HE2 MET 1 -16.343 8.793 16.047 11 HE3 MET 1 HE3 MET 1 -15.439 7.280 16.086 12 H GLY 2 H GLY 2 -16.855 6.050 19.717 13 HA2 GLY 2 HA2 GLY 2 -15.287 7.613 21.002 14 HA3 GLY 2 HA3 GLY 2 -16.201 7.128 22.418 15 H SER 3 H SER 3 -16.197 4.315 20.811 16 HA SER 3 HA SER 3 -13.907 3.232 22.216 17 HB2 SER 3 HB2 SER 3 -14.603 1.040 21.221 18 HB3 SER 3 HB3 SER 3 -15.913 1.849 22.078 19 HG SER 3 HG SER 3 -15.994 0.948 19.648 20 H HIS 4 H HIS 4 -12.357 4.634 21.162 21 HA HIS 4 HA HIS 4 -11.743 4.402 18.370 22 HB2 HIS 4 HB2 HIS 4 -11.309 6.461 19.733 23 HB3 HIS 4 HB3 HIS 4 -10.052 5.594 20.609 24 HD1 HIS 4 HD1 HIS 4 -7.761 6.019 19.700 25 HD2 HIS 4 HD2 HIS 4 -10.676 6.505 16.782 26 HE1 HIS 4 HE1 HIS 4 -6.542 6.797 17.652 27 HE2 HIS 4 HE2 HIS 4 -8.347 7.275 15.981 28 H GLN 5 H GLN 5 -10.378 3.006 21.357 29 HA GLN 5 HA GLN 5 -8.119 1.715 20.211 30 HB2 GLN 5 HB2 GLN 5 -9.675 0.840 22.683 31 HB3 GLN 5 HB3 GLN 5 -8.010 0.413 22.287 32 HG2 GLN 5 HG2 GLN 5 -7.352 2.792 22.525 33 HG3 GLN 5 HG3 GLN 5 -9.014 3.213 22.932 34 HE21 GLN 5 HE21 GLN 5 -9.860 2.489 24.968 35 HE22 GLN 5 HE22 GLN 5 -8.806 2.051 26.261 36 H GLU 6 H GLU 6 -11.485 0.731 20.529 37 HA GLU 6 HA GLU 6 -11.214 -1.928 19.476 38 HB2 GLU 6 HB2 GLU 6 -13.129 -1.207 20.884 39 HB3 GLU 6 HB3 GLU 6 -13.642 -0.095 19.618 40 HG2 GLU 6 HG2 GLU 6 -13.962 -2.080 18.102 41 HG3 GLU 6 HG3 GLU 6 -13.604 -3.127 19.474 42 H TYR 7 H TYR 7 -12.058 1.244 18.084 43 HA TYR 7 HA TYR 7 -12.578 0.572 15.424 44 HB2 TYR 7 HB2 TYR 7 -13.026 2.808 16.243 45 HB3 TYR 7 HB3 TYR 7 -11.335 3.072 16.641 46 HD1 TYR 7 HD1 TYR 7 -13.558 2.406 13.665 47 HD2 TYR 7 HD2 TYR 7 -9.989 4.272 15.111 48 HE1 TYR 7 HE1 TYR 7 -13.212 3.470 11.473 49 HE2 TYR 7 HE2 TYR 7 -9.656 5.330 12.923 50 HH TYR 7 HH TYR 7 -12.065 5.380 10.500 51 H ILE 8 H ILE 8 -9.444 1.156 17.012 52 HA ILE 8 HA ILE 8 -7.657 0.883 14.891 53 HB ILE 8 HB ILE 8 -7.479 0.403 17.865 54 HG12 ILE 8 HG12 ILE 8 -5.665 2.052 17.769 55 HG13 ILE 8 HG13 ILE 8 -5.620 1.968 16.017 56 HG21 ILE 8 HG21 ILE 8 -5.251 -0.585 16.044 57 HG22 ILE 8 HG22 ILE 8 -6.251 -1.574 17.109 58 HG23 ILE 8 HG23 ILE 8 -5.131 -0.398 17.796 59 HD11 ILE 8 HD11 ILE 8 -7.839 3.005 15.928 60 HD12 ILE 8 HD12 ILE 8 -6.655 4.003 16.769 61 HD13 ILE 8 HD13 ILE 8 -7.847 3.094 17.691 62 H LYS 9 H LYS 9 -9.044 -1.708 16.931 63 HA LYS 9 HA LYS 9 -7.763 -3.935 15.798 64 HB2 LYS 9 HB2 LYS 9 -10.547 -3.815 17.032 65 HB3 LYS 9 HB3 LYS 9 -9.577 -5.273 16.829 66 HG2 LYS 9 HG2 LYS 9 -7.967 -4.488 18.462 67 HG3 LYS 9 HG3 LYS 9 -8.755 -2.906 18.539 68 HD2 LYS 9 HD2 LYS 9 -10.832 -4.054 19.402 69 HD3 LYS 9 HD3 LYS 9 -9.917 -5.566 19.463 70 HE2 LYS 9 HE2 LYS 9 -9.187 -3.041 20.972 71 HE3 LYS 9 HE3 LYS 9 -10.074 -4.401 21.660 72 HZ1 LYS 9 HZ1 LYS 9 -8.168 -5.821 21.219 73 HZ2 LYS 9 HZ2 LYS 9 -7.733 -4.521 22.208 74 HZ3 LYS 9 HZ3 LYS 9 -7.308 -4.515 20.571 75 H LYS 10 H LYS 10 -10.809 -2.366 14.906 76 HA LYS 10 HA LYS 10 -11.712 -4.231 12.971 77 HB2 LYS 10 HB2 LYS 10 -12.358 -1.277 13.358 78 HB3 LYS 10 HB3 LYS 10 -13.252 -2.348 12.276 79 HG2 LYS 10 HG2 LYS 10 -13.956 -3.733 14.167 80 HG3 LYS 10 HG3 LYS 10 -12.984 -2.760 15.275 81 HD2 LYS 10 HD2 LYS 10 -14.418 -0.822 14.916 82 HD3 LYS 10 HD3 LYS 10 -15.327 -1.673 13.659 83 HE2 LYS 10 HE2 LYS 10 -16.147 -3.288 15.330 84 HE3 LYS 10 HE3 LYS 10 -15.205 -2.489 16.589 85 HZ1 LYS 10 HZ1 LYS 10 -16.585 -0.642 16.544 86 HZ2 LYS 10 HZ2 LYS 10 -17.661 -1.942 16.408 87 HZ3 LYS 10 HZ3 LYS 10 -17.254 -1.033 15.041 88 H VAL 11 H VAL 11 -10.037 -1.084 12.566 89 HA VAL 11 HA VAL 11 -9.836 -1.309 9.712 90 HB VAL 11 HB VAL 11 -8.550 0.773 9.757 91 HG11 VAL 11 HG11 VAL 11 -10.997 0.913 9.870 92 HG12 VAL 11 HG12 VAL 11 -10.257 2.239 10.765 93 HG13 VAL 11 HG13 VAL 11 -10.940 0.863 11.635 94 HG21 VAL 11 HG21 VAL 11 -8.037 1.933 11.897 95 HG22 VAL 11 HG22 VAL 11 -7.159 0.412 11.744 96 HG23 VAL 11 HG23 VAL 11 -8.575 0.508 12.792 97 H THR 12 H THR 12 -7.787 -2.334 12.338 98 HA THR 12 HA THR 12 -5.350 -2.742 10.988 99 HB THR 12 HB THR 12 -6.619 -4.355 13.244 100 HG1 THR 12 HG1 THR 12 -5.696 -2.022 13.390 101 HG21 THR 12 HG21 THR 12 -4.384 -5.332 13.691 102 HG22 THR 12 HG22 THR 12 -3.762 -4.584 12.220 103 HG23 THR 12 HG23 THR 12 -5.000 -5.837 12.117 104 H ASP 13 H ASP 13 -8.229 -4.889 11.259 105 HA ASP 13 HA ASP 13 -7.133 -6.909 9.516 106 HB2 ASP 13 HB2 ASP 13 -9.976 -6.534 10.532 107 HB3 ASP 13 HB3 ASP 13 -9.396 -7.957 9.665 108 H GLU 14 H GLU 14 -9.294 -4.126 9.014 109 HA GLU 14 HA GLU 14 -9.955 -4.495 6.304 110 HB2 GLU 14 HB2 GLU 14 -9.296 -1.897 7.766 111 HB3 GLU 14 HB3 GLU 14 -10.015 -1.965 6.167 112 HG2 GLU 14 HG2 GLU 14 -11.282 -3.055 8.678 113 HG3 GLU 14 HG3 GLU 14 -11.650 -1.492 7.960 114 H LEU 15 H LEU 15 -7.008 -3.217 7.795 115 HA LEU 15 HA LEU 15 -5.575 -2.461 5.509 116 HB2 LEU 15 HB2 LEU 15 -4.897 -1.684 7.653 117 HB3 LEU 15 HB3 LEU 15 -4.729 -3.298 8.294 118 HG LEU 15 HG LEU 15 -2.854 -2.555 6.054 119 HD11 LEU 15 HD11 LEU 15 -1.288 -1.403 7.568 120 HD12 LEU 15 HD12 LEU 15 -2.492 -1.445 8.859 121 HD13 LEU 15 HD13 LEU 15 -2.795 -0.505 7.397 122 HD21 LEU 15 HD21 LEU 15 -2.432 -4.065 8.664 123 HD22 LEU 15 HD22 LEU 15 -1.246 -3.886 7.368 124 HD23 LEU 15 HD23 LEU 15 -2.728 -4.795 7.084 125 H LYS 16 H LYS 16 -5.926 -5.719 6.983 126 HA LYS 16 HA LYS 16 -3.977 -7.018 5.306 127 HB2 LYS 16 HB2 LYS 16 -6.290 -8.147 6.918 128 HB3 LYS 16 HB3 LYS 16 -5.302 -9.178 5.900 129 HG2 LYS 16 HG2 LYS 16 -4.552 -9.385 8.163 130 HG3 LYS 16 HG3 LYS 16 -3.301 -8.558 7.232 131 HD2 LYS 16 HD2 LYS 16 -3.725 -6.484 8.270 132 HD3 LYS 16 HD3 LYS 16 -5.334 -6.969 8.800 133 HE2 LYS 16 HE2 LYS 16 -2.732 -8.045 9.919 134 HE3 LYS 16 HE3 LYS 16 -3.758 -6.828 10.682 135 HZ1 LYS 16 HZ1 LYS 16 -4.517 -9.639 10.091 136 HZ2 LYS 16 HZ2 LYS 16 -5.555 -8.475 10.750 137 HZ3 LYS 16 HZ3 LYS 16 -4.194 -8.984 11.619 138 H GLU 17 H GLU 17 -7.520 -6.664 5.088 139 HA GLU 17 HA GLU 17 -8.006 -8.005 2.662 140 HB2 GLU 17 HB2 GLU 17 -9.405 -5.545 3.780 141 HB3 GLU 17 HB3 GLU 17 -10.042 -6.563 2.493 142 HG2 GLU 17 HG2 GLU 17 -9.564 -7.403 5.373 143 HG3 GLU 17 HG3 GLU 17 -11.125 -7.038 4.638 144 H LEU 18 H LEU 18 -6.795 -4.838 3.336 145 HA LEU 18 HA LEU 18 -6.986 -3.824 0.671 146 HB2 LEU 18 HB2 LEU 18 -6.949 -2.628 3.054 147 HB3 LEU 18 HB3 LEU 18 -5.216 -2.613 2.797 148 HG LEU 18 HG LEU 18 -5.396 -1.158 0.892 149 HD11 LEU 18 HD11 LEU 18 -8.392 -1.644 0.960 150 HD12 LEU 18 HD12 LEU 18 -7.250 -2.212 -0.262 151 HD13 LEU 18 HD13 LEU 18 -7.565 -0.487 -0.094 152 HD21 LEU 18 HD21 LEU 18 -7.421 -0.199 2.953 153 HD22 LEU 18 HD22 LEU 18 -6.544 0.809 1.798 154 HD23 LEU 18 HD23 LEU 18 -5.668 -0.024 3.076 155 H ILE 19 H ILE 19 -4.333 -5.106 2.695 156 HA ILE 19 HA ILE 19 -2.187 -4.926 0.888 157 HB ILE 19 HB ILE 19 -2.792 -6.990 3.069 158 HG12 ILE 19 HG12 ILE 19 -0.742 -4.722 3.010 159 HG13 ILE 19 HG13 ILE 19 -2.296 -4.655 3.830 160 HG21 ILE 19 HG21 ILE 19 -1.337 -8.139 1.463 161 HG22 ILE 19 HG22 ILE 19 -0.447 -7.788 2.942 162 HG23 ILE 19 HG23 ILE 19 -0.190 -6.797 1.504 163 HD11 ILE 19 HD11 ILE 19 -1.568 -6.471 5.325 164 HD12 ILE 19 HD12 ILE 19 -0.511 -5.064 5.405 165 HD13 ILE 19 HD13 ILE 19 0.001 -6.496 4.513 166 H GLN 20 H GLN 20 -4.609 -7.522 1.313 167 HA GLN 20 HA GLN 20 -3.786 -9.376 -0.583 168 HB2 GLN 20 HB2 GLN 20 -5.587 -9.856 1.008 169 HB3 GLN 20 HB3 GLN 20 -6.622 -8.641 0.267 170 HG2 GLN 20 HG2 GLN 20 -6.625 -10.022 -1.842 171 HG3 GLN 20 HG3 GLN 20 -5.712 -11.258 -0.979 172 HE21 GLN 20 HE21 GLN 20 -7.347 -12.794 -1.273 173 HE22 GLN 20 HE22 GLN 20 -8.845 -12.727 -0.418 174 H ASN 21 H ASN 21 -6.164 -6.743 -1.064 175 HA ASN 21 HA ASN 21 -6.667 -7.179 -3.794 176 HB2 ASN 21 HB2 ASN 21 -6.935 -4.587 -2.216 177 HB3 ASN 21 HB3 ASN 21 -7.677 -4.907 -3.781 178 HD21 ASN 21 HD21 ASN 21 -8.377 -7.714 -3.035 179 HD22 ASN 21 HD22 ASN 21 -9.711 -7.567 -1.956 180 H VAL 22 H VAL 22 -4.325 -4.980 -2.211 181 HA VAL 22 HA VAL 22 -3.321 -3.786 -4.585 182 HB VAL 22 HB VAL 22 -2.035 -4.025 -1.823 183 HG11 VAL 22 HG11 VAL 22 -0.253 -3.659 -3.486 184 HG12 VAL 22 HG12 VAL 22 -0.485 -2.222 -2.497 185 HG13 VAL 22 HG13 VAL 22 -1.125 -2.271 -4.145 186 HG21 VAL 22 HG21 VAL 22 -4.105 -2.690 -1.862 187 HG22 VAL 22 HG22 VAL 22 -3.455 -1.691 -3.163 188 HG23 VAL 22 HG23 VAL 22 -2.703 -1.659 -1.567 189 H ASN 23 H ASN 23 -2.279 -6.742 -2.802 190 HA ASN 23 HA ASN 23 0.015 -7.393 -4.311 191 HB2 ASN 23 HB2 ASN 23 -1.997 -9.196 -2.902 192 HB3 ASN 23 HB3 ASN 23 -0.682 -9.889 -3.837 193 HD21 ASN 23 HD21 ASN 23 -1.574 -8.662 -0.807 194 HD22 ASN 23 HD22 ASN 23 0.005 -8.648 -0.103 195 H ASP 24 H ASP 24 -3.401 -8.276 -4.866 196 HA ASP 24 HA ASP 24 -3.050 -9.716 -7.264 197 HB2 ASP 24 HB2 ASP 24 -5.442 -8.314 -6.037 198 HB3 ASP 24 HB3 ASP 24 -5.571 -9.193 -7.556 199 H ASP 25 H ASP 25 -3.822 -6.288 -6.732 200 HA ASP 25 HA ASP 25 -4.152 -5.553 -9.439 201 HB2 ASP 25 HB2 ASP 25 -3.444 -3.953 -6.965 202 HB3 ASP 25 HB3 ASP 25 -3.672 -3.180 -8.534 203 H ILE 26 H ILE 26 -1.258 -5.489 -7.335 204 HA ILE 26 HA ILE 26 0.589 -4.461 -9.213 205 HB ILE 26 HB ILE 26 1.059 -6.289 -6.820 206 HG12 ILE 26 HG12 ILE 26 1.569 -3.291 -7.142 207 HG13 ILE 26 HG13 ILE 26 0.198 -3.989 -6.297 208 HG21 ILE 26 HG21 ILE 26 2.936 -6.615 -8.365 209 HG22 ILE 26 HG22 ILE 26 3.473 -5.694 -6.962 210 HG23 ILE 26 HG23 ILE 26 3.167 -4.869 -8.491 211 HD11 ILE 26 HD11 ILE 26 3.098 -4.227 -5.482 212 HD12 ILE 26 HD12 ILE 26 1.730 -4.955 -4.633 213 HD13 ILE 26 HD13 ILE 26 1.869 -3.201 -4.742 214 H LYS 27 H LYS 27 -0.424 -7.841 -8.550 215 HA LYS 27 HA LYS 27 1.237 -9.230 -10.350 216 HB2 LYS 27 HB2 LYS 27 -1.601 -9.785 -9.415 217 HB3 LYS 27 HB3 LYS 27 -0.727 -10.914 -10.440 218 HG2 LYS 27 HG2 LYS 27 0.834 -11.444 -8.736 219 HG3 LYS 27 HG3 LYS 27 0.416 -10.018 -7.785 220 HD2 LYS 27 HD2 LYS 27 -0.473 -12.120 -6.782 221 HD3 LYS 27 HD3 LYS 27 -1.744 -10.970 -7.185 222 HE2 LYS 27 HE2 LYS 27 -2.163 -12.275 -9.303 223 HE3 LYS 27 HE3 LYS 27 -0.998 -13.475 -8.736 224 HZ1 LYS 27 HZ1 LYS 27 -2.398 -13.871 -6.819 225 HZ2 LYS 27 HZ2 LYS 27 -3.280 -14.097 -8.240 226 HZ3 LYS 27 HZ3 LYS 27 -3.495 -12.692 -7.329 227 H GLU 28 H GLU 28 -1.836 -7.549 -10.916 228 HA GLU 28 HA GLU 28 -1.987 -8.213 -13.720 229 HB2 GLU 28 HB2 GLU 28 -3.539 -6.126 -12.151 230 HB3 GLU 28 HB3 GLU 28 -3.914 -6.674 -13.784 231 HG2 GLU 28 HG2 GLU 28 -4.106 -8.257 -11.203 232 HG3 GLU 28 HG3 GLU 28 -5.423 -7.760 -12.263 233 H VAL 29 H VAL 29 -0.569 -5.575 -11.873 234 HA VAL 29 HA VAL 29 0.110 -3.937 -14.136 235 HB VAL 29 HB VAL 29 1.509 -4.097 -11.418 236 HG11 VAL 29 HG11 VAL 29 2.454 -1.909 -11.974 237 HG12 VAL 29 HG12 VAL 29 1.662 -1.937 -13.546 238 HG13 VAL 29 HG13 VAL 29 2.936 -3.103 -13.171 239 HG21 VAL 29 HG21 VAL 29 -0.824 -3.398 -11.133 240 HG22 VAL 29 HG22 VAL 29 -0.639 -2.156 -12.369 241 HG23 VAL 29 HG23 VAL 29 0.250 -2.029 -10.847 242 H GLU 30 H GLU 30 1.609 -6.751 -12.594 243 HA GLU 30 HA GLU 30 4.153 -6.539 -13.857 244 HB2 GLU 30 HB2 GLU 30 2.763 -8.874 -12.500 245 HB3 GLU 30 HB3 GLU 30 4.415 -8.964 -13.113 246 HG2 GLU 30 HG2 GLU 30 5.112 -7.159 -11.602 247 HG3 GLU 30 HG3 GLU 30 3.459 -6.968 -11.027 248 H LYS 31 H LYS 31 1.088 -7.836 -14.971 249 HA LYS 31 HA LYS 31 2.309 -8.771 -17.492 250 HB2 LYS 31 HB2 LYS 31 0.036 -9.505 -18.114 251 HB3 LYS 31 HB3 LYS 31 0.496 -10.140 -16.538 252 HG2 LYS 31 HG2 LYS 31 -0.853 -8.358 -15.453 253 HG3 LYS 31 HG3 LYS 31 -1.342 -7.784 -17.045 254 HD2 LYS 31 HD2 LYS 31 -3.120 -9.134 -16.100 255 HD3 LYS 31 HD3 LYS 31 -2.429 -9.981 -17.484 256 HE2 LYS 31 HE2 LYS 31 -1.195 -11.477 -16.005 257 HE3 LYS 31 HE3 LYS 31 -1.716 -10.565 -14.585 258 HZ1 LYS 31 HZ1 LYS 31 -3.989 -11.194 -15.056 259 HZ2 LYS 31 HZ2 LYS 31 -3.012 -12.567 -14.891 260 HZ3 LYS 31 HZ3 LYS 31 -3.500 -12.060 -16.429 261 H ASN 32 H ASN 32 0.647 -5.964 -16.197 262 HA ASN 32 HA ASN 32 0.761 -4.548 -18.806 263 HB2 ASN 32 HB2 ASN 32 -1.625 -4.756 -16.923 264 HB3 ASN 32 HB3 ASN 32 -1.474 -3.435 -18.071 265 HD21 ASN 32 HD21 ASN 32 -1.746 -3.845 -20.274 266 HD22 ASN 32 HD22 ASN 32 -2.413 -5.330 -20.852 267 HA PRO 33 HA PRO 33 2.911 -2.270 -15.265 268 HB2 PRO 33 HB2 PRO 33 5.033 -1.280 -16.739 269 HB3 PRO 33 HB3 PRO 33 5.006 -2.890 -16.009 270 HG2 PRO 33 HG2 PRO 33 4.355 -2.083 -18.845 271 HG3 PRO 33 HG3 PRO 33 5.366 -3.429 -18.271 272 HD2 PRO 33 HD2 PRO 33 2.824 -3.834 -19.073 273 HD3 PRO 33 HD3 PRO 33 3.508 -4.749 -17.711 274 H GLU 34 H GLU 34 2.449 -0.904 -18.537 275 HA GLU 34 HA GLU 34 2.516 1.852 -17.575 276 HB2 GLU 34 HB2 GLU 34 2.084 0.716 -20.365 277 HB3 GLU 34 HB3 GLU 34 2.348 2.419 -19.988 278 HG2 GLU 34 HG2 GLU 34 4.609 2.004 -19.283 279 HG3 GLU 34 HG3 GLU 34 4.371 0.258 -19.322 280 H ASP 35 H ASP 35 0.087 -0.495 -17.911 281 HA ASP 35 HA ASP 35 -2.137 1.217 -18.523 282 HB2 ASP 35 HB2 ASP 35 -1.971 -1.565 -17.293 283 HB3 ASP 35 HB3 ASP 35 -3.495 -0.747 -17.639 284 H MET 36 H MET 36 -2.184 2.963 -17.254 285 HA MET 36 HA MET 36 -1.422 3.024 -14.531 286 HB2 MET 36 HB2 MET 36 -2.377 5.054 -16.525 287 HB3 MET 36 HB3 MET 36 -2.511 5.482 -14.827 288 HG2 MET 36 HG2 MET 36 0.024 4.595 -16.219 289 HG3 MET 36 HG3 MET 36 -0.397 6.259 -15.777 290 HE1 MET 36 HE1 MET 36 2.351 4.352 -13.251 291 HE2 MET 36 HE2 MET 36 2.313 5.224 -14.784 292 HE3 MET 36 HE3 MET 36 1.828 3.529 -14.719 293 H GLU 37 H GLU 37 -4.547 2.424 -15.911 294 HA GLU 37 HA GLU 37 -6.253 3.305 -13.903 295 HB2 GLU 37 HB2 GLU 37 -6.383 1.067 -15.898 296 HB3 GLU 37 HB3 GLU 37 -7.551 1.010 -14.587 297 HG2 GLU 37 HG2 GLU 37 -8.393 2.112 -16.667 298 HG3 GLU 37 HG3 GLU 37 -8.522 3.099 -15.211 299 H TYR 38 H TYR 38 -4.297 0.343 -13.876 300 HA TYR 38 HA TYR 38 -5.201 -0.586 -11.314 301 HB2 TYR 38 HB2 TYR 38 -2.983 -1.362 -13.206 302 HB3 TYR 38 HB3 TYR 38 -2.900 -1.958 -11.551 303 HD1 TYR 38 HD1 TYR 38 -4.792 -3.354 -10.639 304 HD2 TYR 38 HD2 TYR 38 -4.582 -2.337 -14.788 305 HE1 TYR 38 HE1 TYR 38 -6.431 -5.103 -11.147 306 HE2 TYR 38 HE2 TYR 38 -6.221 -4.106 -15.297 307 HH TYR 38 HH TYR 38 -8.011 -5.713 -12.825 308 H TRP 39 H TRP 39 -2.496 1.517 -12.314 309 HA TRP 39 HA TRP 39 -1.357 1.681 -9.673 310 HB2 TRP 39 HB2 TRP 39 -0.876 3.254 -12.213 311 HB3 TRP 39 HB3 TRP 39 -0.138 3.752 -10.694 312 HD1 TRP 39 HD1 TRP 39 0.754 1.801 -13.617 313 HE1 TRP 39 HE1 TRP 39 2.704 0.214 -13.120 314 HE3 TRP 39 HE3 TRP 39 0.589 1.852 -8.494 315 HZ2 TRP 39 HZ2 TRP 39 3.978 -0.913 -10.868 316 HZ3 TRP 39 HZ3 TRP 39 2.196 0.468 -7.249 317 HH2 TRP 39 HH2 TRP 39 3.861 -0.889 -8.415 318 H ASN 40 H ASN 40 -3.847 3.575 -11.326 319 HA ASN 40 HA ASN 40 -4.040 5.687 -9.414 320 HB2 ASN 40 HB2 ASN 40 -6.119 4.546 -11.330 321 HB3 ASN 40 HB3 ASN 40 -6.455 5.912 -10.277 322 HD21 ASN 40 HD21 ASN 40 -5.093 4.921 -13.222 323 HD22 ASN 40 HD22 ASN 40 -4.516 6.454 -13.726 324 H LYS 41 H LYS 41 -5.588 2.511 -9.749 325 HA LYS 41 HA LYS 41 -7.159 2.474 -7.417 326 HB2 LYS 41 HB2 LYS 41 -5.660 0.185 -8.750 327 HB3 LYS 41 HB3 LYS 41 -6.790 -0.047 -7.421 328 HG2 LYS 41 HG2 LYS 41 -8.592 0.960 -8.878 329 HG3 LYS 41 HG3 LYS 41 -7.427 0.978 -10.205 330 HD2 LYS 41 HD2 LYS 41 -8.866 -1.016 -10.356 331 HD3 LYS 41 HD3 LYS 41 -7.192 -1.489 -10.050 332 HE2 LYS 41 HE2 LYS 41 -7.748 -1.736 -7.620 333 HE3 LYS 41 HE3 LYS 41 -9.429 -1.348 -7.990 334 HZ1 LYS 41 HZ1 LYS 41 -9.559 -3.318 -9.343 335 HZ2 LYS 41 HZ2 LYS 41 -9.022 -3.724 -7.794 336 HZ3 LYS 41 HZ3 LYS 41 -7.926 -3.663 -9.075 337 H ILE 42 H ILE 42 -3.788 1.269 -7.807 338 HA ILE 42 HA ILE 42 -3.360 0.541 -5.123 339 HB ILE 42 HB ILE 42 -1.358 1.228 -7.319 340 HG12 ILE 42 HG12 ILE 42 -2.234 -1.504 -6.254 341 HG13 ILE 42 HG13 ILE 42 -2.915 -0.750 -7.689 342 HG21 ILE 42 HG21 ILE 42 -0.763 -0.101 -4.641 343 HG22 ILE 42 HG22 ILE 42 -0.203 1.489 -5.161 344 HG23 ILE 42 HG23 ILE 42 0.375 0.042 -5.984 345 HD11 ILE 42 HD11 ILE 42 -0.732 -0.861 -8.783 346 HD12 ILE 42 HD12 ILE 42 -1.287 -2.449 -8.255 347 HD13 ILE 42 HD13 ILE 42 -0.043 -1.605 -7.335 348 H TYR 43 H TYR 43 -2.769 3.628 -6.784 349 HA TYR 43 HA TYR 43 -1.423 4.977 -4.677 350 HB2 TYR 43 HB2 TYR 43 -1.419 5.793 -7.020 351 HB3 TYR 43 HB3 TYR 43 -3.143 6.126 -6.922 352 HD1 TYR 43 HD2 TYR 43 -0.019 6.993 -4.972 353 HD2 TYR 43 HD1 TYR 43 -3.701 8.406 -6.629 354 HE1 TYR 43 HE2 TYR 43 0.481 9.260 -4.171 355 HE2 TYR 43 HE1 TYR 43 -3.187 10.674 -5.830 356 HH TYR 43 HH TYR 43 -0.133 11.606 -4.765 357 H ARG 44 H ARG 44 -4.884 4.682 -5.499 358 HA ARG 44 HA ARG 44 -5.892 6.275 -3.340 359 HB2 ARG 44 HB2 ARG 44 -7.121 4.370 -5.334 360 HB3 ARG 44 HB3 ARG 44 -8.079 4.839 -3.933 361 HG2 ARG 44 HG2 ARG 44 -7.925 7.193 -4.552 362 HG3 ARG 44 HG3 ARG 44 -6.857 6.802 -5.904 363 HD2 ARG 44 HD2 ARG 44 -9.642 5.608 -5.728 364 HD3 ARG 44 HD3 ARG 44 -9.387 7.223 -6.381 365 HE ARG 44 HE ARG 44 -7.977 6.246 -8.095 366 HH11 ARG 44 HH11 ARG 44 -9.911 3.902 -6.424 367 HH12 ARG 44 HH12 ARG 44 -10.001 2.872 -7.806 368 HH21 ARG 44 HH21 ARG 44 -8.114 4.911 -9.807 369 HH22 ARG 44 HH22 ARG 44 -8.993 3.430 -9.684 370 H LEU 45 H LEU 45 -5.191 2.806 -3.639 371 HA LEU 45 HA LEU 45 -6.568 2.016 -1.245 372 HB2 LEU 45 HB2 LEU 45 -4.469 0.510 -2.848 373 HB3 LEU 45 HB3 LEU 45 -5.470 -0.185 -1.580 374 HG LEU 45 HG LEU 45 -6.458 0.863 -4.264 375 HD11 LEU 45 HD11 LEU 45 -7.013 -1.459 -4.785 376 HD12 LEU 45 HD12 LEU 45 -6.335 -1.983 -3.241 377 HD13 LEU 45 HD13 LEU 45 -5.289 -1.272 -4.471 378 HD21 LEU 45 HD21 LEU 45 -8.138 1.307 -2.550 379 HD22 LEU 45 HD22 LEU 45 -8.081 -0.377 -2.024 380 HD23 LEU 45 HD23 LEU 45 -8.677 0.029 -3.636 381 H VAL 46 H VAL 46 -3.180 2.670 -2.069 382 HA VAL 46 HA VAL 46 -2.122 2.275 0.566 383 HB VAL 46 HB VAL 46 -0.957 3.698 -1.869 384 HG11 VAL 46 HG11 VAL 46 0.117 4.638 0.123 385 HG12 VAL 46 HG12 VAL 46 1.253 3.584 -0.715 386 HG13 VAL 46 HG13 VAL 46 0.443 3.021 0.750 387 HG21 VAL 46 HG21 VAL 46 0.448 1.652 -2.069 388 HG22 VAL 46 HG22 VAL 46 -1.270 1.282 -2.192 389 HG23 VAL 46 HG23 VAL 46 -0.400 0.939 -0.693 390 H HIS 47 H HIS 47 -3.485 5.067 -1.161 391 HA HIS 47 HA HIS 47 -3.019 7.070 0.801 392 HB2 HIS 47 HB2 HIS 47 -3.847 7.716 -1.390 393 HB3 HIS 47 HB3 HIS 47 -5.289 6.727 -1.206 394 HD1 HIS 47 HD1 HIS 47 -7.313 7.842 -0.202 395 HD2 HIS 47 HD2 HIS 47 -3.874 10.126 0.297 396 HE1 HIS 47 HE1 HIS 47 -8.098 10.040 0.692 397 HE2 HIS 47 HE2 HIS 47 -6.022 11.441 0.875 398 H THR 48 H THR 48 -5.481 4.546 0.522 399 HA THR 48 HA THR 48 -7.053 5.356 2.782 400 HB THR 48 HB THR 48 -6.944 2.644 1.394 401 HG1 THR 48 HG1 THR 48 -8.736 4.836 1.046 402 HG21 THR 48 HG21 THR 48 -7.981 2.436 3.624 403 HG22 THR 48 HG22 THR 48 -9.201 2.271 2.364 404 HG23 THR 48 HG23 THR 48 -9.069 3.787 3.256 405 H MET 49 H MET 49 -4.370 3.013 2.330 406 HA MET 49 HA MET 49 -4.254 1.969 4.971 407 HB2 MET 49 HB2 MET 49 -1.966 2.384 2.997 408 HB3 MET 49 HB3 MET 49 -1.879 1.390 4.447 409 HG2 MET 49 HG2 MET 49 -3.563 -0.116 3.521 410 HG3 MET 49 HG3 MET 49 -3.681 0.897 2.082 411 HE1 MET 49 HE1 MET 49 -1.868 -2.208 0.633 412 HE2 MET 49 HE2 MET 49 -3.297 -1.168 0.571 413 HE3 MET 49 HE3 MET 49 -3.059 -2.269 1.932 414 H LYS 50 H LYS 50 -2.613 4.698 3.452 415 HA LYS 50 HA LYS 50 -1.100 5.768 5.528 416 HB2 LYS 50 HB2 LYS 50 -0.984 6.452 3.151 417 HB3 LYS 50 HB3 LYS 50 -2.581 7.165 3.259 418 HG2 LYS 50 HG2 LYS 50 -1.693 8.828 4.890 419 HG3 LYS 50 HG3 LYS 50 -0.083 8.133 4.683 420 HD2 LYS 50 HD2 LYS 50 -0.129 8.736 2.273 421 HD3 LYS 50 HD3 LYS 50 -1.754 9.397 2.469 422 HE2 LYS 50 HE2 LYS 50 0.769 10.452 3.794 423 HE3 LYS 50 HE3 LYS 50 -0.077 11.189 2.432 424 HZ1 LYS 50 HZ1 LYS 50 -0.649 12.294 4.477 425 HZ2 LYS 50 HZ2 LYS 50 -1.154 10.842 5.181 426 HZ3 LYS 50 HZ3 LYS 50 -2.014 11.492 3.876 427 H GLU 51 H GLU 51 -4.449 6.434 4.581 428 HA GLU 51 HA GLU 51 -5.140 8.275 6.588 429 HB2 GLU 51 HB2 GLU 51 -6.376 7.990 4.477 430 HB3 GLU 51 HB3 GLU 51 -6.865 6.368 4.954 431 HG2 GLU 51 HG2 GLU 51 -8.209 7.277 6.770 432 HG3 GLU 51 HG3 GLU 51 -7.669 8.911 6.390 433 H ILE 52 H ILE 52 -5.451 4.722 6.439 434 HA ILE 52 HA ILE 52 -6.936 4.242 8.780 435 HB ILE 52 HB ILE 52 -5.036 2.488 7.165 436 HG12 ILE 52 HG12 ILE 52 -8.051 2.263 7.642 437 HG13 ILE 52 HG13 ILE 52 -7.307 2.989 6.224 438 HG21 ILE 52 HG21 ILE 52 -4.752 1.665 9.455 439 HG22 ILE 52 HG22 ILE 52 -5.664 0.492 8.507 440 HG23 ILE 52 HG23 ILE 52 -6.502 1.537 9.656 441 HD11 ILE 52 HD11 ILE 52 -7.128 0.085 7.036 442 HD12 ILE 52 HD12 ILE 52 -6.351 0.802 5.621 443 HD13 ILE 52 HD13 ILE 52 -8.110 0.761 5.739 444 H THR 53 H THR 53 -3.374 4.120 8.303 445 HA THR 53 HA THR 53 -2.794 3.501 11.009 446 HB THR 53 HB THR 53 -1.155 2.885 9.376 447 HG1 THR 53 HG1 THR 53 0.351 4.840 10.542 448 HG21 THR 53 HG21 THR 53 0.216 4.484 8.125 449 HG22 THR 53 HG22 THR 53 -0.709 5.825 8.798 450 HG23 THR 53 HG23 THR 53 -1.486 4.682 7.700 451 H GLU 54 H GLU 54 -2.964 6.620 9.297 452 HA GLU 54 HA GLU 54 -1.920 8.182 11.464 453 HB2 GLU 54 HB2 GLU 54 -3.416 8.923 8.941 454 HB3 GLU 54 HB3 GLU 54 -2.977 10.139 10.137 455 HG2 GLU 54 HG2 GLU 54 -0.595 9.510 9.883 456 HG3 GLU 54 HG3 GLU 54 -1.049 8.318 8.664 457 H THR 55 H THR 55 -5.253 7.235 10.575 458 HA THR 55 HA THR 55 -6.424 8.794 12.723 459 HB THR 55 HB THR 55 -7.791 8.250 10.716 460 HG1 THR 55 HG1 THR 55 -9.281 8.658 12.148 461 HG21 THR 55 HG21 THR 55 -7.111 5.911 10.314 462 HG22 THR 55 HG22 THR 55 -8.863 6.049 10.478 463 HG23 THR 55 HG23 THR 55 -7.895 5.416 11.814 464 H MET 56 H MET 56 -5.020 5.595 12.475 465 HA MET 56 HA MET 56 -5.855 4.709 15.097 466 HB2 MET 56 HB2 MET 56 -3.596 3.757 13.285 467 HB3 MET 56 HB3 MET 56 -3.957 3.021 14.842 468 HG2 MET 56 HG2 MET 56 -6.321 2.613 13.915 469 HG3 MET 56 HG3 MET 56 -5.633 2.991 12.337 470 HE1 MET 56 HE1 MET 56 -2.646 1.722 12.630 471 HE2 MET 56 HE2 MET 56 -3.645 1.498 11.192 472 HE3 MET 56 HE3 MET 56 -2.923 0.102 11.993 473 H GLY 57 H GLY 57 -3.367 6.813 13.907 474 HA2 GLY 57 HA2 GLY 57 -2.150 8.363 15.184 475 HA3 GLY 57 HA3 GLY 57 -2.439 7.415 16.633 476 H PHE 58 H PHE 58 -1.040 6.427 13.497 477 HA PHE 58 HA PHE 58 1.581 5.882 14.772 478 HB2 PHE 58 HB2 PHE 58 0.008 4.183 12.802 479 HB3 PHE 58 HB3 PHE 58 1.703 3.901 13.130 480 HD1 PHE 58 HD2 PHE 58 2.354 3.383 15.617 481 HD2 PHE 58 HD1 PHE 58 -1.659 3.177 14.147 482 HE1 PHE 58 HE2 PHE 58 1.717 1.961 17.526 483 HE2 PHE 58 HE1 PHE 58 -2.286 1.761 16.059 484 HZ PHE 58 HZ PHE 58 -0.599 1.151 17.751 485 H SER 59 H SER 59 2.587 7.737 14.000 486 HA SER 59 HA SER 59 2.559 8.536 11.216 487 HB2 SER 59 HB2 SER 59 4.310 10.179 11.947 488 HB3 SER 59 HB3 SER 59 2.865 10.226 12.955 489 HG SER 59 HG SER 59 5.361 9.844 13.728 490 H SER 60 H SER 60 4.616 6.550 13.252 491 HA SER 60 HA SER 60 6.922 6.277 11.672 492 HB2 SER 60 HB2 SER 60 5.643 4.178 13.481 493 HB3 SER 60 HB3 SER 60 7.325 4.193 12.944 494 HG SER 60 HG SER 60 7.530 5.215 14.796 495 H VAL 61 H VAL 61 3.908 4.366 11.659 496 HA VAL 61 HA VAL 61 4.645 2.630 9.494 497 HB VAL 61 HB VAL 61 1.832 3.262 10.494 498 HG11 VAL 61 HG11 VAL 61 2.864 0.847 8.953 499 HG12 VAL 61 HG12 VAL 61 1.806 2.115 8.330 500 HG13 VAL 61 HG13 VAL 61 1.226 1.029 9.591 501 HG21 VAL 61 HG21 VAL 61 3.221 2.505 12.385 502 HG22 VAL 61 HG22 VAL 61 3.691 1.060 11.485 503 HG23 VAL 61 HG23 VAL 61 2.008 1.294 11.970 504 H ALA 62 H ALA 62 2.720 5.625 9.759 505 HA ALA 62 HA ALA 62 1.729 5.855 7.139 506 HB1 ALA 62 HB1 ALA 62 0.934 7.276 8.968 507 HB2 ALA 62 HB2 ALA 62 1.486 8.270 7.613 508 HB3 ALA 62 HB3 ALA 62 2.500 8.094 9.050 509 H LYS 63 H LYS 63 4.881 6.762 8.456 510 HA LYS 63 HA LYS 63 6.031 8.232 6.389 511 HB2 LYS 63 HB2 LYS 63 7.107 7.863 8.590 512 HB3 LYS 63 HB3 LYS 63 7.337 6.159 8.207 513 HG2 LYS 63 HG2 LYS 63 8.792 6.960 6.229 514 HG3 LYS 63 HG3 LYS 63 8.729 8.559 6.970 515 HD2 LYS 63 HD2 LYS 63 10.795 7.439 7.632 516 HD3 LYS 63 HD3 LYS 63 9.750 7.615 9.045 517 HE2 LYS 63 HE2 LYS 63 9.066 5.258 8.859 518 HE3 LYS 63 HE3 LYS 63 10.021 5.077 7.386 519 HZ1 LYS 63 HZ1 LYS 63 11.068 5.648 10.100 520 HZ2 LYS 63 HZ2 LYS 63 12.010 5.562 8.698 521 HZ3 LYS 63 HZ3 LYS 63 11.196 4.186 9.255 522 H VAL 64 H VAL 64 5.853 4.711 6.801 523 HA VAL 64 HA VAL 64 7.364 3.906 4.554 524 HB VAL 64 HB VAL 64 5.080 2.391 5.908 525 HG11 VAL 64 HG11 VAL 64 7.369 1.321 4.202 526 HG12 VAL 64 HG12 VAL 64 5.665 1.376 3.748 527 HG13 VAL 64 HG13 VAL 64 6.186 0.334 5.069 528 HG21 VAL 64 HG21 VAL 64 6.825 1.311 7.299 529 HG22 VAL 64 HG22 VAL 64 6.774 3.053 7.564 530 HG23 VAL 64 HG23 VAL 64 8.055 2.349 6.574 531 H LEU 65 H LEU 65 3.810 4.127 4.960 532 HA LEU 65 HA LEU 65 3.110 3.423 2.296 533 HB2 LEU 65 HB2 LEU 65 1.552 4.872 4.470 534 HB3 LEU 65 HB3 LEU 65 0.844 4.487 2.915 535 HG LEU 65 HG LEU 65 0.125 2.855 4.567 536 HD11 LEU 65 HD11 LEU 65 2.105 1.581 2.644 537 HD12 LEU 65 HD12 LEU 65 0.440 2.036 2.274 538 HD13 LEU 65 HD13 LEU 65 0.759 0.767 3.451 539 HD21 LEU 65 HD21 LEU 65 1.700 1.310 5.686 540 HD22 LEU 65 HD22 LEU 65 1.919 2.988 6.176 541 HD23 LEU 65 HD23 LEU 65 3.054 2.254 5.042 542 H HIS 66 H HIS 66 3.932 6.477 3.770 543 HA HIS 66 HA HIS 66 2.995 8.295 1.822 544 HB2 HIS 66 HB2 HIS 66 3.718 8.872 4.152 545 HB3 HIS 66 HB3 HIS 66 5.386 8.595 3.688 546 HD1 HIS 66 HD1 HIS 66 6.538 10.449 2.295 547 HD2 HIS 66 HD2 HIS 66 2.568 11.248 3.201 548 HE1 HIS 66 HE1 HIS 66 6.208 12.865 1.735 549 HE2 HIS 66 HE2 HIS 66 3.873 13.379 2.505 550 H THR 67 H THR 67 5.869 6.233 1.920 551 HA THR 67 HA THR 67 7.309 7.648 -0.176 552 HB THR 67 HB THR 67 8.932 5.843 -0.207 553 HG1 THR 67 HG1 THR 67 7.636 4.270 1.695 554 HG21 THR 67 HG21 THR 67 8.052 6.327 2.659 555 HG22 THR 67 HG22 THR 67 9.122 7.368 1.718 556 HG23 THR 67 HG23 THR 67 9.639 5.737 2.151 557 H ILE 68 H ILE 68 5.084 4.859 -0.078 558 HA ILE 68 HA ILE 68 5.426 4.100 -2.835 559 HB ILE 68 HB ILE 68 3.128 3.449 -0.921 560 HG12 ILE 68 HG12 ILE 68 4.161 1.062 -1.115 561 HG13 ILE 68 HG13 ILE 68 5.580 1.849 -1.797 562 HG21 ILE 68 HG21 ILE 68 2.401 1.725 -2.560 563 HG22 ILE 68 HG22 ILE 68 3.596 2.325 -3.712 564 HG23 ILE 68 HG23 ILE 68 2.260 3.360 -3.206 565 HD11 ILE 68 HD11 ILE 68 5.865 1.361 0.547 566 HD12 ILE 68 HD12 ILE 68 4.428 2.297 0.950 567 HD13 ILE 68 HD13 ILE 68 5.853 3.104 0.290 568 H MET 69 H MET 69 3.137 6.187 -1.091 569 HA MET 69 HA MET 69 1.399 7.039 -3.089 570 HB2 MET 69 HB2 MET 69 2.666 8.653 -0.824 571 HB3 MET 69 HB3 MET 69 1.326 9.238 -1.803 572 HG2 MET 69 HG2 MET 69 1.101 6.654 -0.293 573 HG3 MET 69 HG3 MET 69 0.829 8.203 0.503 574 HE1 MET 69 HE1 MET 69 -1.109 9.852 -0.067 575 HE2 MET 69 HE2 MET 69 -2.279 9.613 -1.365 576 HE3 MET 69 HE3 MET 69 -0.595 9.967 -1.752 577 H ASN 70 H ASN 70 4.545 8.454 -2.238 578 HA ASN 70 HA ASN 70 4.696 10.420 -4.266 579 HB2 ASN 70 HB2 ASN 70 6.032 10.311 -2.107 580 HB3 ASN 70 HB3 ASN 70 7.002 9.026 -2.839 581 HD21 ASN 70 HD21 ASN 70 6.139 12.430 -3.062 582 HD22 ASN 70 HD22 ASN 70 7.518 12.913 -3.983 583 H LEU 71 H LEU 71 5.913 7.115 -4.059 584 HA LEU 71 HA LEU 71 7.571 6.985 -6.312 585 HB2 LEU 71 HB2 LEU 71 7.389 5.421 -4.289 586 HB3 LEU 71 HB3 LEU 71 6.005 4.680 -5.064 587 HG LEU 71 HG LEU 71 8.772 4.724 -6.321 588 HD11 LEU 71 HD11 LEU 71 7.589 2.526 -4.575 589 HD12 LEU 71 HD12 LEU 71 8.949 3.569 -4.156 590 HD13 LEU 71 HD13 LEU 71 9.105 2.417 -5.480 591 HD21 LEU 71 HD21 LEU 71 7.925 2.772 -7.627 592 HD22 LEU 71 HD22 LEU 71 6.992 4.235 -7.929 593 HD23 LEU 71 HD23 LEU 71 6.337 2.980 -6.877 594 H VAL 72 H VAL 72 4.229 5.807 -5.944 595 HA VAL 72 HA VAL 72 3.799 4.941 -8.590 596 HB VAL 72 HB VAL 72 1.762 5.724 -6.450 597 HG11 VAL 72 HG11 VAL 72 1.341 4.101 -8.989 598 HG12 VAL 72 HG12 VAL 72 0.690 5.709 -8.663 599 HG13 VAL 72 HG13 VAL 72 0.141 4.329 -7.712 600 HG21 VAL 72 HG21 VAL 72 3.268 3.898 -5.725 601 HG22 VAL 72 HG22 VAL 72 2.878 2.981 -7.181 602 HG23 VAL 72 HG23 VAL 72 1.628 3.297 -5.976 603 H ASP 73 H ASP 73 2.938 7.986 -6.942 604 HA ASP 73 HA ASP 73 1.402 9.246 -8.899 605 HB2 ASP 73 HB2 ASP 73 1.669 10.003 -6.529 606 HB3 ASP 73 HB3 ASP 73 3.295 10.565 -6.902 607 H LYS 74 H LYS 74 4.921 9.029 -8.659 608 HA LYS 74 HA LYS 74 5.537 10.910 -10.748 609 HB2 LYS 74 HB2 LYS 74 7.134 8.801 -9.283 610 HB3 LYS 74 HB3 LYS 74 7.829 9.679 -10.646 611 HG2 LYS 74 HG2 LYS 74 7.472 11.813 -9.513 612 HG3 LYS 74 HG3 LYS 74 6.711 10.986 -8.144 613 HD2 LYS 74 HD2 LYS 74 9.593 10.658 -9.049 614 HD3 LYS 74 HD3 LYS 74 9.056 11.619 -7.674 615 HE2 LYS 74 HE2 LYS 74 8.166 9.526 -6.618 616 HE3 LYS 74 HE3 LYS 74 8.846 8.599 -7.960 617 HZ1 LYS 74 HZ1 LYS 74 11.040 9.377 -7.338 618 HZ2 LYS 74 HZ2 LYS 74 10.293 8.606 -6.032 619 HZ3 LYS 74 HZ3 LYS 74 10.389 10.293 -6.072 620 H MET 75 H MET 75 5.151 7.370 -10.648 621 HA MET 75 HA MET 75 5.985 6.855 -13.311 622 HB2 MET 75 HB2 MET 75 4.190 5.226 -11.481 623 HB3 MET 75 HB3 MET 75 4.788 4.653 -13.037 624 HG2 MET 75 HG2 MET 75 7.142 5.074 -12.152 625 HG3 MET 75 HG3 MET 75 6.404 5.301 -10.563 626 HE1 MET 75 HE1 MET 75 4.058 3.037 -10.594 627 HE2 MET 75 HE2 MET 75 5.141 3.409 -9.251 628 HE3 MET 75 HE3 MET 75 4.970 1.743 -9.816 629 H LEU 76 H LEU 76 2.873 7.870 -12.005 630 HA LEU 76 HA LEU 76 1.041 7.433 -14.040 631 HB2 LEU 76 HB2 LEU 76 1.382 9.533 -11.929 632 HB3 LEU 76 HB3 LEU 76 0.329 10.001 -13.241 633 HG LEU 76 HG LEU 76 -0.934 9.115 -11.313 634 HD11 LEU 76 HD11 LEU 76 -1.916 8.893 -13.534 635 HD12 LEU 76 HD12 LEU 76 -2.386 7.546 -12.501 636 HD13 LEU 76 HD13 LEU 76 -1.150 7.315 -13.742 637 HD21 LEU 76 HD21 LEU 76 0.705 7.533 -10.418 638 HD22 LEU 76 HD22 LEU 76 0.471 6.472 -11.808 639 HD23 LEU 76 HD23 LEU 76 -0.853 6.749 -10.674 640 H ASN 77 H ASN 77 3.642 9.832 -14.024 641 HA ASN 77 HA ASN 77 2.973 10.648 -16.789 642 HB2 ASN 77 HB2 ASN 77 4.889 12.400 -16.318 643 HB3 ASN 77 HB3 ASN 77 3.288 12.658 -15.650 644 HD21 ASN 77 HD21 ASN 77 2.970 12.247 -13.388 645 HD22 ASN 77 HD22 ASN 77 4.303 12.277 -12.297 646 H SER 78 H SER 78 4.256 10.189 -18.460 647 HA SER 78 HA SER 78 5.960 7.895 -18.314 648 HB2 SER 78 HB2 SER 78 4.395 8.338 -20.198 649 HB3 SER 78 HB3 SER 78 5.375 9.716 -20.687 650 HG SER 78 HG SER 78 6.076 6.968 -20.716 651 H GLU 79 H GLU 79 6.698 11.140 -17.789 652 HA GLU 79 HA GLU 79 9.309 11.338 -18.976 653 HB2 GLU 79 HB2 GLU 79 9.495 13.403 -17.712 654 HB3 GLU 79 HB3 GLU 79 7.863 13.271 -18.343 655 HG2 GLU 79 HG2 GLU 79 7.066 12.504 -16.135 656 HG3 GLU 79 HG3 GLU 79 8.693 12.750 -15.494 657 H ILE 80 H ILE 80 8.030 10.132 -15.985 658 HA ILE 80 HA ILE 80 10.670 9.354 -14.912 659 HB ILE 80 HB ILE 80 7.858 8.966 -13.770 660 HG12 ILE 80 HG12 ILE 80 8.669 11.408 -14.080 661 HG13 ILE 80 HG13 ILE 80 8.081 10.967 -12.515 662 HG21 ILE 80 HG21 ILE 80 8.987 8.532 -11.605 663 HG22 ILE 80 HG22 ILE 80 10.558 8.624 -12.405 664 HG23 ILE 80 HG23 ILE 80 9.423 7.342 -12.832 665 HD11 ILE 80 HD11 ILE 80 10.058 12.388 -12.398 666 HD12 ILE 80 HD12 ILE 80 10.988 11.195 -13.303 667 HD13 ILE 80 HD13 ILE 80 10.389 10.811 -11.687 668 H LYS 81 H LYS 81 7.472 7.896 -15.544 669 HA LYS 81 HA LYS 81 6.702 6.005 -16.452 670 HB2 LYS 81 HB2 LYS 81 8.291 6.606 -18.312 671 HB3 LYS 81 HB3 LYS 81 9.491 5.544 -17.588 672 HG2 LYS 81 HG2 LYS 81 7.932 3.618 -17.918 673 HG3 LYS 81 HG3 LYS 81 6.790 4.706 -18.712 674 HD2 LYS 81 HD2 LYS 81 8.362 5.109 -20.527 675 HD3 LYS 81 HD3 LYS 81 9.625 4.194 -19.695 676 HE2 LYS 81 HE2 LYS 81 8.256 2.139 -19.895 677 HE3 LYS 81 HE3 LYS 81 7.003 3.056 -20.733 678 HZ1 LYS 81 HZ1 LYS 81 8.485 1.788 -22.211 679 HZ2 LYS 81 HZ2 LYS 81 9.784 2.754 -21.713 680 HZ3 LYS 81 HZ3 LYS 81 8.484 3.449 -22.539 681 H ILE 82 H ILE 82 6.807 3.632 -16.416 682 HA ILE 82 HA ILE 82 7.365 2.745 -13.721 683 HB ILE 82 HB ILE 82 6.036 1.165 -15.980 684 HG12 ILE 82 HG12 ILE 82 3.829 1.904 -14.707 685 HG13 ILE 82 HG13 ILE 82 4.809 3.260 -14.162 686 HG21 ILE 82 HG21 ILE 82 4.963 -0.108 -14.163 687 HG22 ILE 82 HG22 ILE 82 5.844 0.846 -12.967 688 HG23 ILE 82 HG23 ILE 82 6.721 -0.209 -14.079 689 HD11 ILE 82 HD11 ILE 82 4.270 2.531 -17.044 690 HD12 ILE 82 HD12 ILE 82 5.176 3.936 -16.474 691 HD13 ILE 82 HD13 ILE 82 3.455 3.795 -16.126 692 H THR 83 H THR 83 9.341 1.875 -13.268 693 HA THR 83 HA THR 83 11.099 1.174 -15.481 694 HB THR 83 HB THR 83 11.962 1.277 -12.566 695 HG1 THR 83 HG1 THR 83 11.306 3.439 -14.296 696 HG21 THR 83 HG21 THR 83 14.085 2.141 -13.499 697 HG22 THR 83 HG22 THR 83 13.423 2.065 -15.135 698 HG23 THR 83 HG23 THR 83 13.690 0.581 -14.217 699 H SER 84 H SER 84 8.977 -0.783 -14.486 700 HA SER 84 HA SER 84 8.629 -3.006 -14.394 701 HB2 SER 84 HB2 SER 84 11.508 -3.202 -15.363 702 HB3 SER 84 HB3 SER 84 10.391 -4.568 -15.288 703 HG SER 84 HG SER 84 9.424 -3.867 -17.021 704 H ASP 85 H ASP 85 12.052 -3.052 -13.264 705 HA ASP 85 HA ASP 85 11.606 -4.636 -10.965 706 HB2 ASP 85 HB2 ASP 85 13.859 -2.685 -11.586 707 HB3 ASP 85 HB3 ASP 85 13.883 -3.858 -10.266 708 H LEU 86 H LEU 86 11.054 -1.254 -11.509 709 HA LEU 86 HA LEU 86 11.182 -0.351 -8.804 710 HB2 LEU 86 HB2 LEU 86 11.249 1.132 -10.844 711 HB3 LEU 86 HB3 LEU 86 9.534 0.828 -11.065 712 HG LEU 86 HG LEU 86 9.156 1.817 -8.749 713 HD11 LEU 86 HD11 LEU 86 10.896 3.275 -7.797 714 HD12 LEU 86 HD12 LEU 86 12.047 2.698 -9.005 715 HD13 LEU 86 HD13 LEU 86 11.384 1.581 -7.808 716 HD21 LEU 86 HD21 LEU 86 10.322 3.646 -10.872 717 HD22 LEU 86 HD22 LEU 86 9.300 4.151 -9.522 718 HD23 LEU 86 HD23 LEU 86 8.651 3.079 -10.761 719 H ILE 87 H ILE 87 8.559 -1.710 -10.761 720 HA ILE 87 HA ILE 87 6.382 -1.528 -9.043 721 HB ILE 87 HB ILE 87 7.081 -4.019 -10.672 722 HG12 ILE 87 HG12 ILE 87 5.544 -1.584 -11.687 723 HG13 ILE 87 HG13 ILE 87 7.224 -1.934 -12.078 724 HG21 ILE 87 HG21 ILE 87 4.349 -2.958 -9.862 725 HG22 ILE 87 HG22 ILE 87 5.166 -4.356 -9.161 726 HG23 ILE 87 HG23 ILE 87 4.650 -4.396 -10.845 727 HD11 ILE 87 HD11 ILE 87 5.747 -2.566 -13.895 728 HD12 ILE 87 HD12 ILE 87 4.842 -3.639 -12.829 729 HD13 ILE 87 HD13 ILE 87 6.527 -3.995 -13.219 730 H ASP 88 H ASP 88 9.228 -3.625 -8.891 731 HA ASP 88 HA ASP 88 8.323 -5.508 -6.942 732 HB2 ASP 88 HB2 ASP 88 10.191 -5.933 -8.549 733 HB3 ASP 88 HB3 ASP 88 11.165 -4.737 -7.720 734 H LYS 89 H LYS 89 9.814 -2.317 -6.740 735 HA LYS 89 HA LYS 89 10.513 -2.389 -3.961 736 HB2 LYS 89 HB2 LYS 89 10.130 -0.155 -5.972 737 HB3 LYS 89 HB3 LYS 89 10.348 0.225 -4.276 738 HG2 LYS 89 HG2 LYS 89 12.481 0.398 -5.438 739 HG3 LYS 89 HG3 LYS 89 12.532 -0.923 -4.270 740 HD2 LYS 89 HD2 LYS 89 12.124 -2.541 -6.148 741 HD3 LYS 89 HD3 LYS 89 12.180 -1.192 -7.282 742 HE2 LYS 89 HE2 LYS 89 14.468 -2.090 -5.494 743 HE3 LYS 89 HE3 LYS 89 14.317 -2.427 -7.218 744 HZ1 LYS 89 HZ1 LYS 89 15.775 -0.590 -6.896 745 HZ2 LYS 89 HZ2 LYS 89 14.637 0.237 -5.956 746 HZ3 LYS 89 HZ3 LYS 89 14.351 -0.016 -7.606 747 H VAL 90 H VAL 90 7.632 -1.315 -5.741 748 HA VAL 90 HA VAL 90 6.001 -0.486 -3.559 749 HB VAL 90 HB VAL 90 5.000 -1.789 -6.139 750 HG11 VAL 90 HG11 VAL 90 3.230 -1.480 -4.469 751 HG12 VAL 90 HG12 VAL 90 2.982 -0.370 -5.815 752 HG13 VAL 90 HG13 VAL 90 3.648 0.227 -4.293 753 HG21 VAL 90 HG21 VAL 90 6.573 -0.055 -6.779 754 HG22 VAL 90 HG22 VAL 90 5.786 1.117 -5.714 755 HG23 VAL 90 HG23 VAL 90 4.934 0.495 -7.130 756 H LYS 91 H LYS 91 6.470 -3.566 -5.172 757 HA LYS 91 HA LYS 91 4.513 -5.183 -3.976 758 HB2 LYS 91 HB2 LYS 91 6.363 -5.466 -6.016 759 HB3 LYS 91 HB3 LYS 91 7.108 -6.477 -4.796 760 HG2 LYS 91 HG2 LYS 91 4.276 -6.842 -5.815 761 HG3 LYS 91 HG3 LYS 91 5.678 -7.650 -6.501 762 HD2 LYS 91 HD2 LYS 91 4.923 -9.324 -5.092 763 HD3 LYS 91 HD3 LYS 91 6.019 -8.493 -3.991 764 HE2 LYS 91 HE2 LYS 91 4.104 -7.287 -2.998 765 HE3 LYS 91 HE3 LYS 91 3.001 -8.102 -4.110 766 HZ1 LYS 91 HZ1 LYS 91 3.085 -9.139 -1.921 767 HZ2 LYS 91 HZ2 LYS 91 4.732 -9.449 -2.118 768 HZ3 LYS 91 HZ3 LYS 91 3.604 -10.196 -3.131 769 H LYS 92 H LYS 92 7.947 -4.707 -3.150 770 HA LYS 92 HA LYS 92 8.014 -6.642 -1.061 771 HB2 LYS 92 HB2 LYS 92 9.972 -6.034 -2.498 772 HB3 LYS 92 HB3 LYS 92 10.027 -4.469 -1.702 773 HG2 LYS 92 HG2 LYS 92 11.707 -5.923 -0.721 774 HG3 LYS 92 HG3 LYS 92 10.431 -5.591 0.462 775 HD2 LYS 92 HD2 LYS 92 9.407 -7.782 0.027 776 HD3 LYS 92 HD3 LYS 92 10.606 -8.120 -1.225 777 HE2 LYS 92 HE2 LYS 92 12.392 -8.116 0.483 778 HE3 LYS 92 HE3 LYS 92 11.201 -7.749 1.735 779 HZ1 LYS 92 HZ1 LYS 92 11.207 -10.188 0.044 780 HZ2 LYS 92 HZ2 LYS 92 10.120 -9.850 1.294 781 HZ3 LYS 92 HZ3 LYS 92 11.756 -10.112 1.641 782 H LYS 93 H LYS 93 7.794 -3.092 -1.101 783 HA LYS 93 HA LYS 93 7.821 -2.548 1.648 784 HB2 LYS 93 HB2 LYS 93 6.394 -1.180 -0.658 785 HB3 LYS 93 HB3 LYS 93 6.271 -0.563 0.985 786 HG2 LYS 93 HG2 LYS 93 8.899 -0.927 -0.494 787 HG3 LYS 93 HG3 LYS 93 7.985 0.585 -0.439 788 HD2 LYS 93 HD2 LYS 93 8.234 0.666 2.018 789 HD3 LYS 93 HD3 LYS 93 9.100 -0.873 1.996 790 HE2 LYS 93 HE2 LYS 93 10.053 1.682 0.650 791 HE3 LYS 93 HE3 LYS 93 10.630 1.068 2.201 792 HZ1 LYS 93 HZ1 LYS 93 10.902 -0.285 -0.429 793 HZ2 LYS 93 HZ2 LYS 93 11.391 -0.940 1.049 794 HZ3 LYS 93 HZ3 LYS 93 12.139 0.455 0.454 795 H LEU 94 H LEU 94 5.154 -3.630 -0.409 796 HA LEU 94 HA LEU 94 3.074 -3.495 1.545 797 HB2 LEU 94 HB2 LEU 94 2.717 -3.515 -0.907 798 HB3 LEU 94 HB3 LEU 94 3.279 -5.179 -0.976 799 HG LEU 94 HG LEU 94 1.310 -5.754 0.587 800 HD11 LEU 94 HD11 LEU 94 -0.597 -4.195 0.594 801 HD12 LEU 94 HD12 LEU 94 0.387 -2.977 -0.219 802 HD13 LEU 94 HD13 LEU 94 0.807 -3.513 1.410 803 HD21 LEU 94 HD21 LEU 94 0.713 -4.759 -2.217 804 HD22 LEU 94 HD22 LEU 94 -0.309 -5.848 -1.275 805 HD23 LEU 94 HD23 LEU 94 1.301 -6.363 -1.772 806 H ASP 95 H ASP 95 5.170 -6.165 0.406 807 HA ASP 95 HA ASP 95 4.318 -8.261 2.067 808 HB2 ASP 95 HB2 ASP 95 7.062 -7.567 0.940 809 HB3 ASP 95 HB3 ASP 95 6.791 -9.045 1.846 810 H MET 96 H MET 96 6.645 -5.685 2.633 811 HA MET 96 HA MET 96 7.631 -6.357 5.166 812 HB2 MET 96 HB2 MET 96 8.867 -4.757 3.967 813 HB3 MET 96 HB3 MET 96 7.446 -3.829 3.535 814 HG2 MET 96 HG2 MET 96 7.309 -3.024 5.894 815 HG3 MET 96 HG3 MET 96 8.811 -3.887 6.234 816 HE1 MET 96 HE1 MET 96 8.109 -0.658 6.564 817 HE2 MET 96 HE2 MET 96 9.665 0.028 6.098 818 HE3 MET 96 HE3 MET 96 9.607 -1.384 7.153 819 H VAL 97 H VAL 97 4.729 -4.445 4.278 820 HA VAL 97 HA VAL 97 3.970 -3.598 6.872 821 HB VAL 97 HB VAL 97 2.032 -4.286 4.605 822 HG11 VAL 97 HG11 VAL 97 1.716 -2.391 6.974 823 HG12 VAL 97 HG12 VAL 97 0.891 -3.934 6.749 824 HG13 VAL 97 HG13 VAL 97 0.547 -2.590 5.663 825 HG21 VAL 97 HG21 VAL 97 3.712 -2.748 3.724 826 HG22 VAL 97 HG22 VAL 97 3.494 -1.656 5.093 827 HG23 VAL 97 HG23 VAL 97 2.185 -1.890 3.928 828 H THR 98 H THR 98 3.235 -6.568 5.071 829 HA THR 98 HA THR 98 1.538 -7.826 6.981 830 HB THR 98 HB THR 98 3.287 -9.175 4.863 831 HG1 THR 98 HG1 THR 98 1.917 -7.734 3.835 832 HG21 THR 98 HG21 THR 98 1.618 -11.008 4.954 833 HG22 THR 98 HG22 THR 98 0.766 -10.178 6.257 834 HG23 THR 98 HG23 THR 98 2.399 -10.792 6.521 835 H ARG 99 H ARG 99 5.046 -8.191 6.316 836 HA ARG 99 HA ARG 99 5.605 -10.166 8.266 837 HB2 ARG 99 HB2 ARG 99 7.469 -8.193 6.913 838 HB3 ARG 99 HB3 ARG 99 8.007 -9.564 7.875 839 HG2 ARG 99 HG2 ARG 99 6.320 -9.864 5.364 840 HG3 ARG 99 HG3 ARG 99 8.079 -9.851 5.351 841 HD2 ARG 99 HD2 ARG 99 7.492 -12.143 5.302 842 HD3 ARG 99 HD3 ARG 99 7.967 -11.846 6.971 843 HE ARG 99 HE ARG 99 5.331 -11.563 7.177 844 HH11 ARG 99 HH11 ARG 99 7.075 -14.037 5.476 845 HH12 ARG 99 HH12 ARG 99 5.853 -15.224 5.774 846 HH21 ARG 99 HH21 ARG 99 3.817 -13.122 7.545 847 HH22 ARG 99 HH22 ARG 99 4.048 -14.719 6.905 848 H GLU 100 H GLU 100 5.473 -6.678 8.460 849 HA GLU 100 HA GLU 100 6.714 -6.345 11.008 850 HB2 GLU 100 HB2 GLU 100 6.292 -4.500 9.313 851 HB3 GLU 100 HB3 GLU 100 4.591 -4.562 9.741 852 HG2 GLU 100 HG2 GLU 100 5.561 -2.714 10.913 853 HG3 GLU 100 HG3 GLU 100 5.219 -3.967 12.105 854 H LEU 101 H LEU 101 3.395 -6.983 9.945 855 HA LEU 101 HA LEU 101 2.101 -6.811 12.473 856 HB2 LEU 101 HB2 LEU 101 1.037 -6.686 10.163 857 HB3 LEU 101 HB3 LEU 101 1.212 -8.422 10.047 858 HG LEU 101 HG LEU 101 -1.106 -7.529 10.641 859 HD11 LEU 101 HD11 LEU 101 -0.582 -9.890 10.966 860 HD12 LEU 101 HD12 LEU 101 -1.684 -9.302 12.208 861 HD13 LEU 101 HD13 LEU 101 0.023 -9.551 12.591 862 HD21 LEU 101 HD21 LEU 101 0.111 -7.011 13.368 863 HD22 LEU 101 HD22 LEU 101 -1.594 -6.867 12.926 864 HD23 LEU 101 HD23 LEU 101 -0.408 -5.777 12.216 865 H ASP 102 H ASP 102 3.695 -9.493 10.748 866 HA ASP 102 HA ASP 102 3.012 -11.624 12.450 867 HB2 ASP 102 HB2 ASP 102 5.558 -11.177 10.834 868 HB3 ASP 102 HB3 ASP 102 5.161 -12.702 11.628 869 H LYS 103 H LYS 103 5.863 -9.428 12.639 870 HA LYS 103 HA LYS 103 6.861 -10.448 15.110 871 HB2 LYS 103 HB2 LYS 103 8.294 -9.127 13.572 872 HB3 LYS 103 HB3 LYS 103 7.311 -7.696 13.871 873 HG2 LYS 103 HG2 LYS 103 7.979 -7.789 16.285 874 HG3 LYS 103 HG3 LYS 103 9.031 -9.157 15.911 875 HD2 LYS 103 HD2 LYS 103 10.373 -7.717 14.407 876 HD3 LYS 103 HD3 LYS 103 9.300 -6.352 14.749 877 HE2 LYS 103 HE2 LYS 103 9.941 -6.459 17.142 878 HE3 LYS 103 HE3 LYS 103 11.022 -7.808 16.792 879 HZ1 LYS 103 HZ1 LYS 103 12.258 -5.793 16.921 880 HZ2 LYS 103 HZ2 LYS 103 11.264 -5.033 15.781 881 HZ3 LYS 103 HZ3 LYS 103 12.261 -6.318 15.311 882 H LYS 104 H LYS 104 4.433 -8.031 14.338 883 HA LYS 104 HA LYS 104 4.264 -6.557 16.717 884 HB2 LYS 104 HB2 LYS 104 3.077 -6.345 14.320 885 HB3 LYS 104 HB3 LYS 104 1.761 -7.181 15.116 886 HG2 LYS 104 HG2 LYS 104 2.938 -4.522 16.003 887 HG3 LYS 104 HG3 LYS 104 1.499 -4.702 15.005 888 HD2 LYS 104 HD2 LYS 104 1.812 -5.661 17.877 889 HD3 LYS 104 HD3 LYS 104 0.926 -4.229 17.355 890 HE2 LYS 104 HE2 LYS 104 -0.670 -5.669 16.120 891 HE3 LYS 104 HE3 LYS 104 0.231 -7.102 16.623 892 HZ1 LYS 104 HZ1 LYS 104 -1.656 -6.798 18.036 893 HZ2 LYS 104 HZ2 LYS 104 -1.207 -5.212 18.400 894 HZ3 LYS 104 HZ3 LYS 104 -0.256 -6.505 18.939 895 H VAL 105 H VAL 105 2.764 -9.659 15.822 896 HA VAL 105 HA VAL 105 1.486 -9.932 18.449 897 HB VAL 105 HB VAL 105 0.484 -12.017 17.582 898 HG11 VAL 105 HG11 VAL 105 0.163 -9.669 15.670 899 HG12 VAL 105 HG12 VAL 105 -0.684 -9.887 17.203 900 HG13 VAL 105 HG13 VAL 105 -0.983 -11.001 15.869 901 HG21 VAL 105 HG21 VAL 105 0.738 -12.704 15.208 902 HG22 VAL 105 HG22 VAL 105 2.266 -12.821 16.082 903 HG23 VAL 105 HG23 VAL 105 1.985 -11.469 14.985 904 H SER 106 H SER 106 4.090 -11.556 16.585 905 HA SER 106 HA SER 106 5.520 -12.398 18.951 906 HB2 SER 106 HB2 SER 106 4.136 -14.524 17.251 907 HB3 SER 106 HB3 SER 106 5.513 -14.890 18.288 908 HG SER 106 HG SER 106 3.069 -13.751 19.189 909 H GLY 107 H GLY 107 5.192 -13.498 15.552 910 HA2 GLY 107 HA2 GLY 107 7.026 -12.565 14.016 911 HA3 GLY 107 HA3 GLY 107 8.131 -13.314 15.166 912 H SER 108 H SER 108 7.000 -13.817 12.182 913 HA SER 108 HA SER 108 6.418 -16.642 12.247 914 HB2 SER 108 HB2 SER 108 7.187 -14.815 9.928 915 HB3 SER 108 HB3 SER 108 6.738 -16.513 9.741 916 HG SER 108 HG SER 108 5.043 -14.749 9.545 917 H TYR 109 H TYR 109 8.081 -17.483 13.491 918 HA TYR 109 HA TYR 109 10.877 -17.187 12.928 919 HB2 TYR 109 HB2 TYR 109 9.488 -19.294 14.644 920 HB3 TYR 109 HB3 TYR 109 11.195 -18.866 14.706 921 HD1 TYR 109 HD2 TYR 109 11.548 -16.154 15.089 922 HD2 TYR 109 HD1 TYR 109 8.169 -18.421 16.395 923 HE1 TYR 109 HE2 TYR 109 11.060 -14.452 16.791 924 HE2 TYR 109 HE1 TYR 109 7.679 -16.711 18.095 925 HH TYR 109 HH TYR 109 9.133 -13.641 18.104 926 H LEU 110 H LEU 110 8.399 -19.556 12.092 927 HA LEU 110 HA LEU 110 8.195 -21.189 10.565 928 HB2 LEU 110 HB2 LEU 110 9.127 -19.697 8.916 929 HB3 LEU 110 HB3 LEU 110 10.762 -20.007 9.469 930 HG LEU 110 HG LEU 110 10.609 -22.345 8.586 931 HD11 LEU 110 HD11 LEU 110 8.194 -22.708 8.748 932 HD12 LEU 110 HD12 LEU 110 8.761 -23.009 7.108 933 HD13 LEU 110 HD13 LEU 110 7.905 -21.510 7.481 934 HD21 LEU 110 HD21 LEU 110 11.587 -20.557 7.195 935 HD22 LEU 110 HD22 LEU 110 10.002 -20.220 6.496 936 HD23 LEU 110 HD23 LEU 110 10.784 -21.776 6.208 937 H VAL 111 H VAL 111 8.285 -23.232 11.255 938 HA VAL 111 HA VAL 111 10.399 -24.463 12.639 939 HB VAL 111 HB VAL 111 9.214 -26.656 12.100 940 HG11 VAL 111 HG11 VAL 111 7.227 -26.142 13.497 941 HG12 VAL 111 HG12 VAL 111 7.497 -24.415 13.252 942 HG13 VAL 111 HG13 VAL 111 8.683 -25.377 14.136 943 HG21 VAL 111 HG21 VAL 111 6.970 -26.550 11.025 944 HG22 VAL 111 HG22 VAL 111 8.238 -26.065 9.900 945 HG23 VAL 111 HG23 VAL 111 7.221 -24.840 10.659 946 HA PRO 112 HA PRO 112 13.145 -24.716 9.052 947 HB2 PRO 112 HB2 PRO 112 15.149 -25.933 10.875 948 HB3 PRO 112 HB3 PRO 112 15.192 -24.374 10.048 949 HG2 PRO 112 HG2 PRO 112 14.853 -24.540 12.722 950 HG3 PRO 112 HG3 PRO 112 14.047 -23.280 11.761 951 HD2 PRO 112 HD2 PRO 112 12.914 -25.901 12.771 952 HD3 PRO 112 HD3 PRO 112 12.213 -24.263 12.862 953 H ARG 113 H ARG 113 11.927 -27.449 10.692 954 HA ARG 113 HA ARG 113 12.723 -29.278 8.574 955 HB2 ARG 113 HB2 ARG 113 13.626 -30.975 10.269 956 HB3 ARG 113 HB3 ARG 113 14.649 -29.590 9.919 957 HG2 ARG 113 HG2 ARG 113 13.936 -28.529 12.045 958 HG3 ARG 113 HG3 ARG 113 12.926 -29.934 12.399 959 HD2 ARG 113 HD2 ARG 113 15.956 -29.885 12.155 960 HD3 ARG 113 HD3 ARG 113 15.014 -30.121 13.634 961 HE ARG 113 HE ARG 113 14.194 -32.114 11.935 962 HH11 ARG 113 HH11 ARG 113 17.221 -31.272 13.399 963 HH12 ARG 113 HH12 ARG 113 17.831 -32.881 13.272 964 HH21 ARG 113 HH21 ARG 113 14.993 -34.128 11.804 965 HH22 ARG 113 HH22 ARG 113 16.576 -34.482 12.395 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -18.965 10.234 17.129 2 H2 MET 1 H2 MET 1 -18.238 10.786 18.552 3 H3 MET 1 H3 MET 1 -19.401 9.562 18.619 4 HA MET 1 HA MET 1 -17.974 8.050 17.432 5 HB2 MET 1 HB2 MET 1 -16.025 10.395 17.478 6 HB3 MET 1 HB3 MET 1 -15.559 8.754 17.048 7 HG2 MET 1 HG2 MET 1 -17.100 8.823 15.127 8 HG3 MET 1 HG3 MET 1 -17.544 10.481 15.550 9 HE1 MET 1 HE1 MET 1 -16.890 11.275 13.043 10 HE2 MET 1 HE2 MET 1 -16.463 9.607 12.651 11 HE3 MET 1 HE3 MET 1 -15.331 10.912 12.302 12 H GLY 2 H GLY 2 -15.582 7.318 18.456 13 HA2 GLY 2 HA2 GLY 2 -14.909 8.050 21.076 14 HA3 GLY 2 HA3 GLY 2 -16.073 6.736 21.197 15 H SER 3 H SER 3 -13.719 6.279 22.303 16 HA SER 3 HA SER 3 -11.854 4.970 20.487 17 HB2 SER 3 HB2 SER 3 -11.851 5.108 23.535 18 HB3 SER 3 HB3 SER 3 -10.529 4.505 22.528 19 HG SER 3 HG SER 3 -10.396 6.764 23.268 20 H HIS 4 H HIS 4 -13.836 3.569 19.797 21 HA HIS 4 HA HIS 4 -14.235 1.158 21.367 22 HB2 HIS 4 HB2 HIS 4 -15.165 2.108 18.661 23 HB3 HIS 4 HB3 HIS 4 -15.167 0.376 18.958 24 HD1 HIS 4 HD1 HIS 4 -16.753 -0.503 20.846 25 HD2 HIS 4 HD2 HIS 4 -17.275 3.496 19.869 26 HE1 HIS 4 HE1 HIS 4 -18.979 0.127 21.801 27 HE2 HIS 4 HE2 HIS 4 -19.357 2.475 21.008 28 H GLN 5 H GLN 5 -12.448 -0.012 21.709 29 HA GLN 5 HA GLN 5 -10.219 -0.248 19.976 30 HB2 GLN 5 HB2 GLN 5 -11.087 -2.012 22.304 31 HB3 GLN 5 HB3 GLN 5 -9.516 -2.119 21.508 32 HG2 GLN 5 HG2 GLN 5 -9.023 0.214 22.179 33 HG3 GLN 5 HG3 GLN 5 -10.589 0.300 22.991 34 HE21 GLN 5 HE21 GLN 5 -7.380 -1.084 23.098 35 HE22 GLN 5 HE22 GLN 5 -7.452 -1.632 24.732 36 H GLU 6 H GLU 6 -13.162 -2.154 20.256 37 HA GLU 6 HA GLU 6 -12.421 -4.455 18.770 38 HB2 GLU 6 HB2 GLU 6 -15.242 -3.296 18.728 39 HB3 GLU 6 HB3 GLU 6 -14.756 -4.970 18.525 40 HG2 GLU 6 HG2 GLU 6 -15.660 -4.973 20.656 41 HG3 GLU 6 HG3 GLU 6 -13.937 -4.808 20.987 42 H TYR 7 H TYR 7 -13.835 -1.356 17.819 43 HA TYR 7 HA TYR 7 -14.111 -1.745 15.051 44 HB2 TYR 7 HB2 TYR 7 -15.154 0.145 16.208 45 HB3 TYR 7 HB3 TYR 7 -13.579 0.802 16.630 46 HD1 TYR 7 HD1 TYR 7 -15.655 -0.094 13.617 47 HD2 TYR 7 HD2 TYR 7 -12.632 2.471 15.224 48 HE1 TYR 7 HE1 TYR 7 -15.677 1.241 11.548 49 HE2 TYR 7 HE2 TYR 7 -12.662 3.805 13.156 50 HH TYR 7 HH TYR 7 -15.107 3.493 10.796 51 H ILE 8 H ILE 8 -11.382 -0.407 16.915 52 HA ILE 8 HA ILE 8 -9.603 0.080 14.769 53 HB ILE 8 HB ILE 8 -8.961 -0.551 17.686 54 HG12 ILE 8 HG12 ILE 8 -10.464 1.391 17.508 55 HG13 ILE 8 HG13 ILE 8 -8.863 1.927 17.997 56 HG21 ILE 8 HG21 ILE 8 -7.194 0.784 15.599 57 HG22 ILE 8 HG22 ILE 8 -6.945 -0.808 16.322 58 HG23 ILE 8 HG23 ILE 8 -6.817 0.642 17.319 59 HD11 ILE 8 HD11 ILE 8 -9.845 3.454 16.397 60 HD12 ILE 8 HD12 ILE 8 -10.040 2.154 15.223 61 HD13 ILE 8 HD13 ILE 8 -8.423 2.682 15.701 62 H LYS 9 H LYS 9 -10.174 -2.812 16.714 63 HA LYS 9 HA LYS 9 -8.074 -4.415 15.614 64 HB2 LYS 9 HB2 LYS 9 -10.579 -5.149 17.170 65 HB3 LYS 9 HB3 LYS 9 -9.346 -6.320 16.697 66 HG2 LYS 9 HG2 LYS 9 -7.674 -5.209 18.059 67 HG3 LYS 9 HG3 LYS 9 -8.779 -3.882 18.417 68 HD2 LYS 9 HD2 LYS 9 -8.649 -5.370 20.339 69 HD3 LYS 9 HD3 LYS 9 -10.264 -5.455 19.636 70 HE2 LYS 9 HE2 LYS 9 -9.678 -7.583 18.531 71 HE3 LYS 9 HE3 LYS 9 -8.045 -7.489 19.199 72 HZ1 LYS 9 HZ1 LYS 9 -8.967 -7.644 21.409 73 HZ2 LYS 9 HZ2 LYS 9 -9.494 -8.947 20.474 74 HZ3 LYS 9 HZ3 LYS 9 -10.545 -7.666 20.795 75 H LYS 10 H LYS 10 -11.419 -3.790 14.642 76 HA LYS 10 HA LYS 10 -11.492 -5.750 12.541 77 HB2 LYS 10 HB2 LYS 10 -13.129 -3.221 12.977 78 HB3 LYS 10 HB3 LYS 10 -13.407 -4.332 11.638 79 HG2 LYS 10 HG2 LYS 10 -13.851 -6.156 13.315 80 HG3 LYS 10 HG3 LYS 10 -13.712 -4.953 14.600 81 HD2 LYS 10 HD2 LYS 10 -15.766 -4.921 12.346 82 HD3 LYS 10 HD3 LYS 10 -16.081 -5.409 14.014 83 HE2 LYS 10 HE2 LYS 10 -15.571 -3.128 14.785 84 HE3 LYS 10 HE3 LYS 10 -15.199 -2.632 13.134 85 HZ1 LYS 10 HZ1 LYS 10 -17.838 -3.573 14.100 86 HZ2 LYS 10 HZ2 LYS 10 -17.484 -3.089 12.519 87 HZ3 LYS 10 HZ3 LYS 10 -17.412 -1.972 13.784 88 H VAL 11 H VAL 11 -10.437 -2.353 12.741 89 HA VAL 11 HA VAL 11 -9.925 -1.891 9.982 90 HB VAL 11 HB VAL 11 -8.627 -0.604 12.432 91 HG11 VAL 11 HG11 VAL 11 -7.191 -0.224 10.464 92 HG12 VAL 11 HG12 VAL 11 -7.983 1.278 10.938 93 HG13 VAL 11 HG13 VAL 11 -8.575 0.371 9.544 94 HG21 VAL 11 HG21 VAL 11 -10.936 0.366 10.697 95 HG22 VAL 11 HG22 VAL 11 -10.231 1.245 12.055 96 HG23 VAL 11 HG23 VAL 11 -11.074 -0.276 12.334 97 H THR 12 H THR 12 -8.053 -3.509 12.492 98 HA THR 12 HA THR 12 -5.620 -4.023 11.234 99 HB THR 12 HB THR 12 -7.316 -5.882 12.958 100 HG1 THR 12 HG1 THR 12 -6.043 -5.107 14.629 101 HG21 THR 12 HG21 THR 12 -5.273 -7.186 13.419 102 HG22 THR 12 HG22 THR 12 -4.368 -6.197 12.276 103 HG23 THR 12 HG23 THR 12 -5.664 -7.240 11.697 104 H ASP 13 H ASP 13 -8.686 -5.866 10.899 105 HA ASP 13 HA ASP 13 -7.678 -7.667 8.893 106 HB2 ASP 13 HB2 ASP 13 -10.543 -7.093 9.767 107 HB3 ASP 13 HB3 ASP 13 -10.047 -8.450 8.754 108 H GLU 14 H GLU 14 -9.511 -4.624 8.783 109 HA GLU 14 HA GLU 14 -10.159 -4.581 6.019 110 HB2 GLU 14 HB2 GLU 14 -9.521 -2.213 7.836 111 HB3 GLU 14 HB3 GLU 14 -10.338 -2.113 6.284 112 HG2 GLU 14 HG2 GLU 14 -11.400 -3.501 8.745 113 HG3 GLU 14 HG3 GLU 14 -11.888 -1.910 8.183 114 H LEU 15 H LEU 15 -7.260 -3.694 7.799 115 HA LEU 15 HA LEU 15 -5.691 -2.639 5.700 116 HB2 LEU 15 HB2 LEU 15 -5.123 -2.242 8.008 117 HB3 LEU 15 HB3 LEU 15 -4.990 -3.952 8.350 118 HG LEU 15 HG LEU 15 -3.034 -2.776 6.362 119 HD11 LEU 15 HD11 LEU 15 -1.504 -2.045 8.136 120 HD12 LEU 15 HD12 LEU 15 -2.716 -2.418 9.365 121 HD13 LEU 15 HD13 LEU 15 -3.009 -1.125 8.201 122 HD21 LEU 15 HD21 LEU 15 -2.772 -4.900 8.526 123 HD22 LEU 15 HD22 LEU 15 -1.495 -4.423 7.402 124 HD23 LEU 15 HD23 LEU 15 -2.962 -5.189 6.797 125 H LYS 16 H LYS 16 -6.036 -6.007 6.920 126 HA LYS 16 HA LYS 16 -4.217 -7.293 5.146 127 HB2 LYS 16 HB2 LYS 16 -6.600 -8.255 6.744 128 HB3 LYS 16 HB3 LYS 16 -5.921 -9.337 5.542 129 HG2 LYS 16 HG2 LYS 16 -5.038 -9.840 7.749 130 HG3 LYS 16 HG3 LYS 16 -3.754 -9.296 6.666 131 HD2 LYS 16 HD2 LYS 16 -3.779 -7.071 7.715 132 HD3 LYS 16 HD3 LYS 16 -5.120 -7.556 8.756 133 HE2 LYS 16 HE2 LYS 16 -2.905 -7.599 9.901 134 HE3 LYS 16 HE3 LYS 16 -3.716 -9.167 9.903 135 HZ1 LYS 16 HZ1 LYS 16 -1.433 -9.470 9.372 136 HZ2 LYS 16 HZ2 LYS 16 -1.490 -8.316 8.141 137 HZ3 LYS 16 HZ3 LYS 16 -2.329 -9.774 7.972 138 H GLU 17 H GLU 17 -7.619 -6.496 4.828 139 HA GLU 17 HA GLU 17 -8.216 -7.787 2.366 140 HB2 GLU 17 HB2 GLU 17 -9.767 -6.742 4.254 141 HB3 GLU 17 HB3 GLU 17 -9.615 -5.264 3.322 142 HG2 GLU 17 HG2 GLU 17 -10.770 -7.885 2.321 143 HG3 GLU 17 HG3 GLU 17 -11.713 -6.514 2.889 144 H LEU 18 H LEU 18 -7.058 -4.627 3.234 145 HA LEU 18 HA LEU 18 -7.203 -3.355 0.704 146 HB2 LEU 18 HB2 LEU 18 -6.831 -2.560 3.327 147 HB3 LEU 18 HB3 LEU 18 -5.202 -2.379 2.716 148 HG LEU 18 HG LEU 18 -5.924 -0.731 1.072 149 HD11 LEU 18 HD11 LEU 18 -8.287 -0.043 0.883 150 HD12 LEU 18 HD12 LEU 18 -8.750 -1.346 1.987 151 HD13 LEU 18 HD13 LEU 18 -8.036 -1.722 0.415 152 HD21 LEU 18 HD21 LEU 18 -6.731 1.058 2.536 153 HD22 LEU 18 HD22 LEU 18 -5.524 0.094 3.379 154 HD23 LEU 18 HD23 LEU 18 -7.234 -0.120 3.752 155 H ILE 19 H ILE 19 -4.499 -4.807 2.504 156 HA ILE 19 HA ILE 19 -2.429 -4.437 0.609 157 HB ILE 19 HB ILE 19 -2.799 -6.429 2.889 158 HG12 ILE 19 HG12 ILE 19 -0.998 -3.972 2.619 159 HG13 ILE 19 HG13 ILE 19 -2.509 -4.032 3.518 160 HG21 ILE 19 HG21 ILE 19 -1.303 -7.544 1.298 161 HG22 ILE 19 HG22 ILE 19 -0.403 -7.039 2.726 162 HG23 ILE 19 HG23 ILE 19 -0.269 -6.115 1.230 163 HD11 ILE 19 HD11 ILE 19 -0.609 -4.146 5.004 164 HD12 ILE 19 HD12 ILE 19 0.006 -5.570 4.166 165 HD13 ILE 19 HD13 ILE 19 -1.516 -5.658 5.062 166 H GLN 20 H GLN 20 -4.714 -7.136 1.098 167 HA GLN 20 HA GLN 20 -3.792 -8.939 -0.841 168 HB2 GLN 20 HB2 GLN 20 -5.489 -9.549 0.801 169 HB3 GLN 20 HB3 GLN 20 -6.614 -8.373 0.150 170 HG2 GLN 20 HG2 GLN 20 -5.686 -10.543 -1.707 171 HG3 GLN 20 HG3 GLN 20 -6.762 -11.017 -0.396 172 HE21 GLN 20 HE21 GLN 20 -8.867 -10.016 -0.306 173 HE22 GLN 20 HE22 GLN 20 -9.609 -9.410 -1.742 174 H ASN 21 H ASN 21 -6.210 -6.342 -1.169 175 HA ASN 21 HA ASN 21 -6.836 -6.681 -3.885 176 HB2 ASN 21 HB2 ASN 21 -6.985 -4.270 -2.045 177 HB3 ASN 21 HB3 ASN 21 -7.510 -4.173 -3.722 178 HD21 ASN 21 HD21 ASN 21 -8.019 -7.097 -1.843 179 HD22 ASN 21 HD22 ASN 21 -9.715 -6.900 -1.670 180 H VAL 22 H VAL 22 -4.504 -4.389 -2.408 181 HA VAL 22 HA VAL 22 -3.510 -3.230 -4.752 182 HB VAL 22 HB VAL 22 -2.188 -3.608 -2.034 183 HG11 VAL 22 HG11 VAL 22 -0.388 -3.318 -3.677 184 HG12 VAL 22 HG12 VAL 22 -0.548 -1.870 -2.687 185 HG13 VAL 22 HG13 VAL 22 -1.185 -1.884 -4.335 186 HG21 VAL 22 HG21 VAL 22 -4.169 -2.166 -2.014 187 HG22 VAL 22 HG22 VAL 22 -3.501 -1.187 -3.323 188 HG23 VAL 22 HG23 VAL 22 -2.715 -1.204 -1.742 189 H ASN 23 H ASN 23 -2.224 -6.079 -2.948 190 HA ASN 23 HA ASN 23 0.018 -6.653 -4.536 191 HB2 ASN 23 HB2 ASN 23 -1.744 -8.456 -2.850 192 HB3 ASN 23 HB3 ASN 23 -0.366 -9.103 -3.733 193 HD21 ASN 23 HD21 ASN 23 -0.866 -8.953 -0.856 194 HD22 ASN 23 HD22 ASN 23 0.489 -8.119 -0.191 195 H ASP 24 H ASP 24 -3.340 -7.856 -4.902 196 HA ASP 24 HA ASP 24 -2.821 -9.474 -7.188 197 HB2 ASP 24 HB2 ASP 24 -5.319 -8.475 -5.829 198 HB3 ASP 24 HB3 ASP 24 -5.450 -9.263 -7.396 199 H ASP 25 H ASP 25 -3.888 -6.121 -6.863 200 HA ASP 25 HA ASP 25 -4.174 -5.557 -9.633 201 HB2 ASP 25 HB2 ASP 25 -3.723 -3.877 -7.163 202 HB3 ASP 25 HB3 ASP 25 -3.650 -3.105 -8.744 203 H ILE 26 H ILE 26 -1.349 -5.551 -7.471 204 HA ILE 26 HA ILE 26 0.555 -4.478 -9.303 205 HB ILE 26 HB ILE 26 0.977 -6.262 -6.865 206 HG12 ILE 26 HG12 ILE 26 1.495 -3.264 -7.188 207 HG13 ILE 26 HG13 ILE 26 0.086 -3.951 -6.396 208 HG21 ILE 26 HG21 ILE 26 3.377 -5.611 -6.976 209 HG22 ILE 26 HG22 ILE 26 3.082 -4.848 -8.533 210 HG23 ILE 26 HG23 ILE 26 2.877 -6.591 -8.349 211 HD11 ILE 26 HD11 ILE 26 1.680 -3.194 -4.763 212 HD12 ILE 26 HD12 ILE 26 2.949 -4.192 -5.471 213 HD13 ILE 26 HD13 ILE 26 1.559 -4.953 -4.688 214 H LYS 27 H LYS 27 -0.533 -7.828 -8.626 215 HA LYS 27 HA LYS 27 1.204 -9.253 -10.336 216 HB2 LYS 27 HB2 LYS 27 -1.723 -9.869 -9.737 217 HB3 LYS 27 HB3 LYS 27 -0.558 -11.013 -10.404 218 HG2 LYS 27 HG2 LYS 27 0.689 -11.059 -8.333 219 HG3 LYS 27 HG3 LYS 27 -0.255 -9.719 -7.678 220 HD2 LYS 27 HD2 LYS 27 -2.311 -11.218 -7.846 221 HD3 LYS 27 HD3 LYS 27 -1.218 -12.551 -8.229 222 HE2 LYS 27 HE2 LYS 27 -0.145 -12.348 -6.048 223 HE3 LYS 27 HE3 LYS 27 -1.067 -10.889 -5.683 224 HZ1 LYS 27 HZ1 LYS 27 -2.006 -12.805 -4.586 225 HZ2 LYS 27 HZ2 LYS 27 -2.195 -13.607 -6.061 226 HZ3 LYS 27 HZ3 LYS 27 -3.093 -12.212 -5.737 227 H GLU 28 H GLU 28 -1.836 -7.563 -10.982 228 HA GLU 28 HA GLU 28 -2.024 -8.117 -13.769 229 HB2 GLU 28 HB2 GLU 28 -3.168 -5.818 -12.135 230 HB3 GLU 28 HB3 GLU 28 -3.626 -6.189 -13.796 231 HG2 GLU 28 HG2 GLU 28 -4.056 -8.000 -11.393 232 HG3 GLU 28 HG3 GLU 28 -5.280 -6.975 -12.136 233 H VAL 29 H VAL 29 -0.302 -5.629 -11.918 234 HA VAL 29 HA VAL 29 0.468 -4.009 -14.161 235 HB VAL 29 HB VAL 29 1.717 -4.157 -11.377 236 HG11 VAL 29 HG11 VAL 29 2.062 -2.037 -13.526 237 HG12 VAL 29 HG12 VAL 29 3.285 -3.215 -13.035 238 HG13 VAL 29 HG13 VAL 29 2.740 -1.990 -11.899 239 HG21 VAL 29 HG21 VAL 29 -0.629 -3.409 -11.294 240 HG22 VAL 29 HG22 VAL 29 -0.297 -2.163 -12.494 241 HG23 VAL 29 HG23 VAL 29 0.459 -2.079 -10.900 242 H GLU 30 H GLU 30 1.969 -6.770 -12.498 243 HA GLU 30 HA GLU 30 4.566 -6.570 -13.583 244 HB2 GLU 30 HB2 GLU 30 3.046 -8.996 -12.548 245 HB3 GLU 30 HB3 GLU 30 4.758 -9.030 -12.970 246 HG2 GLU 30 HG2 GLU 30 5.237 -7.339 -11.252 247 HG3 GLU 30 HG3 GLU 30 3.530 -7.234 -10.848 248 H LYS 31 H LYS 31 1.604 -7.910 -14.962 249 HA LYS 31 HA LYS 31 2.981 -8.655 -17.456 250 HB2 LYS 31 HB2 LYS 31 0.829 -9.572 -18.187 251 HB3 LYS 31 HB3 LYS 31 1.271 -10.206 -16.605 252 HG2 LYS 31 HG2 LYS 31 -0.289 -8.605 -15.538 253 HG3 LYS 31 HG3 LYS 31 -0.752 -8.010 -17.137 254 HD2 LYS 31 HD2 LYS 31 -1.563 -10.315 -17.709 255 HD3 LYS 31 HD3 LYS 31 -1.185 -10.825 -16.058 256 HE2 LYS 31 HE2 LYS 31 -2.777 -9.064 -15.223 257 HE3 LYS 31 HE3 LYS 31 -3.220 -8.733 -16.899 258 HZ1 LYS 31 HZ1 LYS 31 -4.765 -10.224 -15.743 259 HZ2 LYS 31 HZ2 LYS 31 -3.532 -11.365 -15.555 260 HZ3 LYS 31 HZ3 LYS 31 -4.073 -10.953 -17.104 261 H ASN 32 H ASN 32 0.911 -6.074 -16.183 262 HA ASN 32 HA ASN 32 0.996 -4.610 -18.780 263 HB2 ASN 32 HB2 ASN 32 -1.294 -4.740 -16.766 264 HB3 ASN 32 HB3 ASN 32 -1.211 -3.541 -18.044 265 HD21 ASN 32 HD21 ASN 32 -3.100 -4.196 -18.994 266 HD22 ASN 32 HD22 ASN 32 -3.278 -5.707 -19.808 267 HA PRO 33 HA PRO 33 3.165 -2.284 -15.280 268 HB2 PRO 33 HB2 PRO 33 5.244 -1.233 -16.769 269 HB3 PRO 33 HB3 PRO 33 5.260 -2.853 -16.058 270 HG2 PRO 33 HG2 PRO 33 4.572 -2.021 -18.876 271 HG3 PRO 33 HG3 PRO 33 5.601 -3.364 -18.324 272 HD2 PRO 33 HD2 PRO 33 3.049 -3.775 -19.116 273 HD3 PRO 33 HD3 PRO 33 3.768 -4.718 -17.792 274 H GLU 34 H GLU 34 2.713 -0.831 -18.545 275 HA GLU 34 HA GLU 34 2.670 1.878 -17.468 276 HB2 GLU 34 HB2 GLU 34 2.326 0.823 -20.301 277 HB3 GLU 34 HB3 GLU 34 2.328 2.534 -19.884 278 HG2 GLU 34 HG2 GLU 34 4.651 2.317 -19.039 279 HG3 GLU 34 HG3 GLU 34 4.641 0.607 -19.490 280 H ASP 35 H ASP 35 0.288 -0.477 -17.642 281 HA ASP 35 HA ASP 35 -1.974 1.186 -18.248 282 HB2 ASP 35 HB2 ASP 35 -1.704 -1.537 -16.935 283 HB3 ASP 35 HB3 ASP 35 -3.265 -0.727 -17.086 284 H MET 36 H MET 36 -1.990 2.990 -17.128 285 HA MET 36 HA MET 36 -1.269 3.385 -14.426 286 HB2 MET 36 HB2 MET 36 -2.858 5.139 -16.328 287 HB3 MET 36 HB3 MET 36 -2.195 5.667 -14.795 288 HG2 MET 36 HG2 MET 36 -0.529 4.658 -17.118 289 HG3 MET 36 HG3 MET 36 -0.841 6.355 -16.766 290 HE1 MET 36 HE1 MET 36 1.597 3.413 -16.181 291 HE2 MET 36 HE2 MET 36 0.535 3.071 -14.814 292 HE3 MET 36 HE3 MET 36 2.170 3.662 -14.532 293 H GLU 37 H GLU 37 -4.295 2.554 -15.899 294 HA GLU 37 HA GLU 37 -6.148 3.101 -13.906 295 HB2 GLU 37 HB2 GLU 37 -7.471 1.193 -14.827 296 HB3 GLU 37 HB3 GLU 37 -6.859 2.283 -16.066 297 HG2 GLU 37 HG2 GLU 37 -5.092 0.693 -16.651 298 HG3 GLU 37 HG3 GLU 37 -5.597 -0.385 -15.351 299 H TYR 38 H TYR 38 -4.025 0.238 -14.168 300 HA TYR 38 HA TYR 38 -4.939 -1.109 -11.830 301 HB2 TYR 38 HB2 TYR 38 -2.387 -1.344 -13.462 302 HB3 TYR 38 HB3 TYR 38 -2.674 -2.363 -12.058 303 HD1 TYR 38 HD1 TYR 38 -5.547 -3.056 -12.343 304 HD2 TYR 38 HD2 TYR 38 -2.505 -2.793 -15.337 305 HE1 TYR 38 HE1 TYR 38 -6.778 -4.664 -13.733 306 HE2 TYR 38 HE2 TYR 38 -3.747 -4.400 -16.728 307 HH TYR 38 HH TYR 38 -5.446 -6.237 -16.365 308 H TRP 39 H TRP 39 -2.207 1.092 -12.417 309 HA TRP 39 HA TRP 39 -1.190 1.081 -9.766 310 HB2 TRP 39 HB2 TRP 39 -0.785 2.893 -12.150 311 HB3 TRP 39 HB3 TRP 39 -0.159 3.380 -10.581 312 HD1 TRP 39 HD1 TRP 39 0.940 1.546 -13.551 313 HE1 TRP 39 HE1 TRP 39 3.008 0.126 -13.044 314 HE3 TRP 39 HE3 TRP 39 0.794 1.673 -8.432 315 HZ2 TRP 39 HZ2 TRP 39 4.392 -0.849 -10.777 316 HZ3 TRP 39 HZ3 TRP 39 2.524 0.458 -7.170 317 HH2 TRP 39 HH2 TRP 39 4.291 -0.779 -8.323 318 H ASN 40 H ASN 40 -3.798 2.942 -11.260 319 HA ASN 40 HA ASN 40 -4.069 4.858 -9.176 320 HB2 ASN 40 HB2 ASN 40 -4.868 5.216 -11.488 321 HB3 ASN 40 HB3 ASN 40 -6.019 3.897 -11.310 322 HD21 ASN 40 HD21 ASN 40 -7.733 5.217 -11.735 323 HD22 ASN 40 HD22 ASN 40 -8.284 6.412 -10.645 324 H LYS 41 H LYS 41 -5.669 1.739 -9.932 325 HA LYS 41 HA LYS 41 -7.450 1.416 -7.821 326 HB2 LYS 41 HB2 LYS 41 -5.586 -0.633 -9.097 327 HB3 LYS 41 HB3 LYS 41 -6.916 -1.074 -8.033 328 HG2 LYS 41 HG2 LYS 41 -7.426 0.556 -10.524 329 HG3 LYS 41 HG3 LYS 41 -7.213 -1.189 -10.636 330 HD2 LYS 41 HD2 LYS 41 -9.248 -0.027 -8.709 331 HD3 LYS 41 HD3 LYS 41 -9.629 -0.174 -10.425 332 HE2 LYS 41 HE2 LYS 41 -10.471 -2.128 -9.232 333 HE3 LYS 41 HE3 LYS 41 -9.169 -2.613 -10.312 334 HZ1 LYS 41 HZ1 LYS 41 -8.912 -2.197 -7.383 335 HZ2 LYS 41 HZ2 LYS 41 -7.677 -2.701 -8.425 336 HZ3 LYS 41 HZ3 LYS 41 -9.019 -3.692 -8.165 337 H ILE 42 H ILE 42 -4.037 0.434 -7.892 338 HA ILE 42 HA ILE 42 -3.554 -0.240 -5.237 339 HB ILE 42 HB ILE 42 -1.764 0.985 -7.382 340 HG12 ILE 42 HG12 ILE 42 -1.877 -1.899 -6.385 341 HG13 ILE 42 HG13 ILE 42 -2.829 -1.312 -7.744 342 HG21 ILE 42 HG21 ILE 42 -0.814 -0.185 -4.742 343 HG22 ILE 42 HG22 ILE 42 -0.674 1.497 -5.251 344 HG23 ILE 42 HG23 ILE 42 0.226 0.242 -6.102 345 HD11 ILE 42 HD11 ILE 42 -0.786 -0.822 -8.976 346 HD12 ILE 42 HD12 ILE 42 -0.847 -2.510 -8.466 347 HD13 ILE 42 HD13 ILE 42 0.182 -1.368 -7.604 348 H TYR 43 H TYR 43 -3.216 2.956 -6.797 349 HA TYR 43 HA TYR 43 -1.950 4.352 -4.720 350 HB2 TYR 43 HB2 TYR 43 -2.261 4.970 -7.225 351 HB3 TYR 43 HB3 TYR 43 -3.804 5.657 -6.753 352 HD1 TYR 43 HD1 TYR 43 -2.266 6.658 -3.950 353 HD2 TYR 43 HD2 TYR 43 -1.762 7.224 -8.163 354 HE1 TYR 43 HE1 TYR 43 -1.120 8.803 -3.545 355 HE2 TYR 43 HE2 TYR 43 -0.640 9.363 -7.740 356 HH TYR 43 HH TYR 43 -0.524 11.061 -6.027 357 H ARG 44 H ARG 44 -5.411 4.304 -5.605 358 HA ARG 44 HA ARG 44 -6.525 6.018 -3.724 359 HB2 ARG 44 HB2 ARG 44 -7.720 3.428 -4.770 360 HB3 ARG 44 HB3 ARG 44 -8.631 4.725 -4.004 361 HG2 ARG 44 HG2 ARG 44 -8.156 6.211 -5.888 362 HG3 ARG 44 HG3 ARG 44 -7.141 4.979 -6.638 363 HD2 ARG 44 HD2 ARG 44 -9.220 3.463 -6.623 364 HD3 ARG 44 HD3 ARG 44 -10.145 4.911 -6.207 365 HE ARG 44 HE ARG 44 -8.677 4.437 -8.735 366 HH11 ARG 44 HH11 ARG 44 -11.034 6.313 -7.026 367 HH12 ARG 44 HH12 ARG 44 -11.786 6.875 -8.476 368 HH21 ARG 44 HH21 ARG 44 -9.692 5.119 -10.560 369 HH22 ARG 44 HH22 ARG 44 -11.035 6.207 -10.451 370 H LEU 45 H LEU 45 -5.780 2.585 -3.413 371 HA LEU 45 HA LEU 45 -6.911 2.214 -0.800 372 HB2 LEU 45 HB2 LEU 45 -4.946 0.463 -2.324 373 HB3 LEU 45 HB3 LEU 45 -5.922 -0.042 -0.955 374 HG LEU 45 HG LEU 45 -7.001 0.775 -3.685 375 HD11 LEU 45 HD11 LEU 45 -5.856 -1.369 -3.813 376 HD12 LEU 45 HD12 LEU 45 -7.596 -1.583 -3.994 377 HD13 LEU 45 HD13 LEU 45 -6.813 -1.990 -2.463 378 HD21 LEU 45 HD21 LEU 45 -8.597 1.347 -1.917 379 HD22 LEU 45 HD22 LEU 45 -8.533 -0.304 -1.297 380 HD23 LEU 45 HD23 LEU 45 -9.196 0.015 -2.901 381 H VAL 46 H VAL 46 -3.657 2.914 -2.053 382 HA VAL 46 HA VAL 46 -2.244 2.630 0.426 383 HB VAL 46 HB VAL 46 -1.455 4.099 -2.135 384 HG11 VAL 46 HG11 VAL 46 0.287 3.424 0.273 385 HG12 VAL 46 HG12 VAL 46 -0.184 5.043 -0.246 386 HG13 VAL 46 HG13 VAL 46 0.876 4.070 -1.264 387 HG21 VAL 46 HG21 VAL 46 -0.615 1.368 -1.069 388 HG22 VAL 46 HG22 VAL 46 -0.029 2.118 -2.556 389 HG23 VAL 46 HG23 VAL 46 -1.723 1.654 -2.414 390 H HIS 47 H HIS 47 -3.874 5.391 -1.143 391 HA HIS 47 HA HIS 47 -3.281 7.495 0.602 392 HB2 HIS 47 HB2 HIS 47 -5.857 6.774 -0.841 393 HB3 HIS 47 HB3 HIS 47 -5.824 8.141 0.248 394 HD1 HIS 47 HD1 HIS 47 -4.601 10.267 -0.519 395 HD2 HIS 47 HD2 HIS 47 -4.620 7.214 -3.324 396 HE1 HIS 47 HE1 HIS 47 -3.998 11.360 -2.689 397 HE2 HIS 47 HE2 HIS 47 -4.114 9.511 -4.391 398 H THR 48 H THR 48 -5.781 4.989 0.892 399 HA THR 48 HA THR 48 -6.847 5.718 3.392 400 HB THR 48 HB THR 48 -6.825 2.935 2.137 401 HG1 THR 48 HG1 THR 48 -9.078 3.823 1.551 402 HG21 THR 48 HG21 THR 48 -8.740 4.157 4.166 403 HG22 THR 48 HG22 THR 48 -7.561 2.880 4.487 404 HG23 THR 48 HG23 THR 48 -8.923 2.576 3.408 405 H MET 49 H MET 49 -4.287 3.346 2.545 406 HA MET 49 HA MET 49 -3.830 2.235 5.100 407 HB2 MET 49 HB2 MET 49 -1.873 2.624 2.795 408 HB3 MET 49 HB3 MET 49 -1.569 1.594 4.190 409 HG2 MET 49 HG2 MET 49 -3.381 0.143 3.554 410 HG3 MET 49 HG3 MET 49 -3.833 1.221 2.239 411 HE1 MET 49 HE1 MET 49 -3.828 -0.714 0.544 412 HE2 MET 49 HE2 MET 49 -3.358 -1.882 1.784 413 HE3 MET 49 HE3 MET 49 -2.463 -1.800 0.267 414 H LYS 50 H LYS 50 -2.304 5.030 3.503 415 HA LYS 50 HA LYS 50 -0.317 5.529 5.449 416 HB2 LYS 50 HB2 LYS 50 -0.314 6.432 3.089 417 HB3 LYS 50 HB3 LYS 50 -1.556 7.579 3.567 418 HG2 LYS 50 HG2 LYS 50 0.010 8.568 5.232 419 HG3 LYS 50 HG3 LYS 50 1.254 7.423 4.728 420 HD2 LYS 50 HD2 LYS 50 1.643 9.603 3.674 421 HD3 LYS 50 HD3 LYS 50 1.232 8.402 2.446 422 HE2 LYS 50 HE2 LYS 50 0.085 10.528 2.007 423 HE3 LYS 50 HE3 LYS 50 -1.084 9.264 2.376 424 HZ1 LYS 50 HZ1 LYS 50 -0.155 11.407 4.204 425 HZ2 LYS 50 HZ2 LYS 50 -1.170 10.139 4.668 426 HZ3 LYS 50 HZ3 LYS 50 -1.687 11.256 3.509 427 H GLU 51 H GLU 51 -3.511 7.071 4.944 428 HA GLU 51 HA GLU 51 -3.348 8.779 7.219 429 HB2 GLU 51 HB2 GLU 51 -5.721 9.263 6.863 430 HB3 GLU 51 HB3 GLU 51 -4.849 9.271 5.334 431 HG2 GLU 51 HG2 GLU 51 -5.716 6.941 4.922 432 HG3 GLU 51 HG3 GLU 51 -6.712 7.115 6.367 433 H ILE 52 H ILE 52 -4.542 5.439 6.864 434 HA ILE 52 HA ILE 52 -5.655 5.069 9.442 435 HB ILE 52 HB ILE 52 -4.338 3.105 7.520 436 HG12 ILE 52 HG12 ILE 52 -7.234 3.356 8.462 437 HG13 ILE 52 HG13 ILE 52 -6.614 3.963 6.937 438 HG21 ILE 52 HG21 ILE 52 -5.527 2.337 10.218 439 HG22 ILE 52 HG22 ILE 52 -3.837 2.193 9.739 440 HG23 ILE 52 HG23 ILE 52 -5.057 1.200 8.950 441 HD11 ILE 52 HD11 ILE 52 -6.116 1.653 6.240 442 HD12 ILE 52 HD12 ILE 52 -7.822 1.898 6.611 443 HD13 ILE 52 HD13 ILE 52 -6.785 1.066 7.767 444 H THR 53 H THR 53 -2.287 4.427 8.331 445 HA THR 53 HA THR 53 -1.355 3.654 10.912 446 HB THR 53 HB THR 53 -0.191 2.760 9.002 447 HG1 THR 53 HG1 THR 53 1.611 4.567 10.210 448 HG21 THR 53 HG21 THR 53 1.260 4.098 7.546 449 HG22 THR 53 HG22 THR 53 0.705 5.570 8.340 450 HG23 THR 53 HG23 THR 53 -0.429 4.607 7.392 451 H GLU 54 H GLU 54 -1.440 6.786 9.275 452 HA GLU 54 HA GLU 54 0.186 8.240 11.115 453 HB2 GLU 54 HB2 GLU 54 -2.002 9.161 9.219 454 HB3 GLU 54 HB3 GLU 54 -1.058 10.279 10.196 455 HG2 GLU 54 HG2 GLU 54 0.995 9.539 9.074 456 HG3 GLU 54 HG3 GLU 54 0.078 8.386 8.114 457 H THR 55 H THR 55 -3.364 7.633 11.017 458 HA THR 55 HA THR 55 -3.852 9.133 13.446 459 HB THR 55 HB THR 55 -5.610 8.886 11.651 460 HG1 THR 55 HG1 THR 55 -6.569 7.951 14.162 461 HG21 THR 55 HG21 THR 55 -5.431 6.456 11.195 462 HG22 THR 55 HG22 THR 55 -7.072 6.903 11.653 463 HG23 THR 55 HG23 THR 55 -6.020 6.106 12.824 464 H MET 56 H MET 56 -3.009 5.816 12.738 465 HA MET 56 HA MET 56 -3.476 4.783 15.396 466 HB2 MET 56 HB2 MET 56 -1.861 3.755 13.029 467 HB3 MET 56 HB3 MET 56 -1.798 2.947 14.586 468 HG2 MET 56 HG2 MET 56 -4.274 2.618 14.469 469 HG3 MET 56 HG3 MET 56 -4.245 3.306 12.842 470 HE1 MET 56 HE1 MET 56 -4.782 -0.659 12.453 471 HE2 MET 56 HE2 MET 56 -5.533 0.913 12.178 472 HE3 MET 56 HE3 MET 56 -5.308 0.317 13.824 473 H GLY 57 H GLY 57 -0.946 6.652 13.884 474 HA2 GLY 57 HA2 GLY 57 0.591 7.982 15.095 475 HA3 GLY 57 HA3 GLY 57 0.463 6.896 16.468 476 H PHE 58 H PHE 58 0.849 5.090 13.662 477 HA PHE 58 HA PHE 58 3.599 4.353 14.246 478 HB2 PHE 58 HB2 PHE 58 1.626 3.484 12.103 479 HB3 PHE 58 HB3 PHE 58 3.230 2.808 12.239 480 HD1 PHE 58 HD1 PHE 58 0.660 3.480 14.928 481 HD2 PHE 58 HD2 PHE 58 2.840 0.547 12.703 482 HE1 PHE 58 HE1 PHE 58 -0.348 1.686 16.281 483 HE2 PHE 58 HE2 PHE 58 1.844 -1.229 14.072 484 HZ PHE 58 HZ PHE 58 0.248 -0.667 15.860 485 H SER 59 H SER 59 4.638 6.455 13.761 486 HA SER 59 HA SER 59 4.376 7.857 11.313 487 HB2 SER 59 HB2 SER 59 6.723 7.915 13.262 488 HB3 SER 59 HB3 SER 59 6.382 9.121 12.018 489 HG SER 59 HG SER 59 5.407 8.961 14.502 490 H SER 60 H SER 60 6.641 5.334 12.323 491 HA SER 60 HA SER 60 8.480 5.423 10.199 492 HB2 SER 60 HB2 SER 60 7.613 3.028 11.869 493 HB3 SER 60 HB3 SER 60 9.066 3.092 10.866 494 HG SER 60 HG SER 60 10.034 4.216 12.361 495 H VAL 61 H VAL 61 5.421 3.613 10.505 496 HA VAL 61 HA VAL 61 5.651 2.186 8.023 497 HB VAL 61 HB VAL 61 3.064 2.781 9.515 498 HG11 VAL 61 HG11 VAL 61 3.789 0.486 7.651 499 HG12 VAL 61 HG12 VAL 61 2.703 1.829 7.285 500 HG13 VAL 61 HG13 VAL 61 2.264 0.657 8.525 501 HG21 VAL 61 HG21 VAL 61 4.689 1.841 11.090 502 HG22 VAL 61 HG22 VAL 61 4.967 0.471 10.010 503 HG23 VAL 61 HG23 VAL 61 3.382 0.705 10.758 504 H ALA 62 H ALA 62 4.036 5.199 9.017 505 HA ALA 62 HA ALA 62 2.570 5.823 6.720 506 HB1 ALA 62 HB1 ALA 62 2.349 7.101 8.790 507 HB2 ALA 62 HB2 ALA 62 2.732 8.190 7.445 508 HB3 ALA 62 HB3 ALA 62 3.988 7.740 8.607 509 H LYS 63 H LYS 63 6.007 6.431 7.411 510 HA LYS 63 HA LYS 63 6.657 7.835 5.026 511 HB2 LYS 63 HB2 LYS 63 8.239 6.440 7.172 512 HB3 LYS 63 HB3 LYS 63 9.067 6.776 5.660 513 HG2 LYS 63 HG2 LYS 63 9.463 8.547 7.315 514 HG3 LYS 63 HG3 LYS 63 8.645 9.159 5.876 515 HD2 LYS 63 HD2 LYS 63 6.482 9.137 7.114 516 HD3 LYS 63 HD3 LYS 63 7.320 8.543 8.550 517 HE2 LYS 63 HE2 LYS 63 8.685 10.627 8.582 518 HE3 LYS 63 HE3 LYS 63 7.788 11.217 7.180 519 HZ1 LYS 63 HZ1 LYS 63 5.757 11.114 8.515 520 HZ2 LYS 63 HZ2 LYS 63 6.908 12.142 9.208 521 HZ3 LYS 63 HZ3 LYS 63 6.657 10.602 9.853 522 H VAL 64 H VAL 64 6.569 4.362 5.760 523 HA VAL 64 HA VAL 64 7.753 3.377 3.384 524 HB VAL 64 HB VAL 64 5.582 2.041 5.071 525 HG11 VAL 64 HG11 VAL 64 5.822 0.993 2.827 526 HG12 VAL 64 HG12 VAL 64 6.343 -0.089 4.121 527 HG13 VAL 64 HG13 VAL 64 7.544 0.748 3.133 528 HG21 VAL 64 HG21 VAL 64 7.431 0.852 6.213 529 HG22 VAL 64 HG22 VAL 64 7.553 2.597 6.437 530 HG23 VAL 64 HG23 VAL 64 8.611 1.783 5.283 531 H LEU 65 H LEU 65 4.333 4.039 4.176 532 HA LEU 65 HA LEU 65 3.280 3.431 1.573 533 HB2 LEU 65 HB2 LEU 65 2.122 4.946 3.940 534 HB3 LEU 65 HB3 LEU 65 1.237 4.764 2.439 535 HG LEU 65 HG LEU 65 0.455 3.143 4.074 536 HD11 LEU 65 HD11 LEU 65 0.677 1.070 2.771 537 HD12 LEU 65 HD12 LEU 65 2.030 1.760 1.869 538 HD13 LEU 65 HD13 LEU 65 0.414 2.456 1.715 539 HD21 LEU 65 HD21 LEU 65 1.901 1.325 4.913 540 HD22 LEU 65 HD22 LEU 65 2.404 2.920 5.469 541 HD23 LEU 65 HD23 LEU 65 3.301 2.123 4.173 542 H HIS 66 H HIS 66 4.530 6.329 3.102 543 HA HIS 66 HA HIS 66 3.548 8.282 1.301 544 HB2 HIS 66 HB2 HIS 66 4.467 8.697 3.621 545 HB3 HIS 66 HB3 HIS 66 6.083 8.460 2.982 546 HD1 HIS 66 HD1 HIS 66 7.114 10.421 1.668 547 HD2 HIS 66 HD2 HIS 66 3.191 11.088 2.879 548 HE1 HIS 66 HE1 HIS 66 6.686 12.854 1.229 549 HE2 HIS 66 HE2 HIS 66 4.388 13.273 2.164 550 H THR 67 H THR 67 6.340 6.101 1.173 551 HA THR 67 HA THR 67 7.659 7.403 -1.049 552 HB THR 67 HB THR 67 8.957 5.386 -1.427 553 HG1 THR 67 HG1 THR 67 7.643 3.864 0.520 554 HG21 THR 67 HG21 THR 67 8.535 5.711 1.553 555 HG22 THR 67 HG22 THR 67 9.652 6.645 0.558 556 HG23 THR 67 HG23 THR 67 9.912 4.915 0.787 557 H ILE 68 H ILE 68 5.226 4.831 -0.757 558 HA ILE 68 HA ILE 68 5.039 4.097 -3.497 559 HB ILE 68 HB ILE 68 2.679 3.886 -1.579 560 HG12 ILE 68 HG12 ILE 68 4.554 3.066 -0.243 561 HG13 ILE 68 HG13 ILE 68 3.566 1.703 -0.741 562 HG21 ILE 68 HG21 ILE 68 2.181 1.804 -2.799 563 HG22 ILE 68 HG22 ILE 68 3.611 2.037 -3.807 564 HG23 ILE 68 HG23 ILE 68 2.270 3.184 -3.897 565 HD11 ILE 68 HD11 ILE 68 6.214 2.515 -1.931 566 HD12 ILE 68 HD12 ILE 68 5.224 1.142 -2.454 567 HD13 ILE 68 HD13 ILE 68 5.909 1.175 -0.823 568 H MET 69 H MET 69 3.239 6.413 -1.516 569 HA MET 69 HA MET 69 1.269 7.349 -3.266 570 HB2 MET 69 HB2 MET 69 2.837 8.868 -1.136 571 HB3 MET 69 HB3 MET 69 1.348 9.447 -1.873 572 HG2 MET 69 HG2 MET 69 1.480 6.842 -0.360 573 HG3 MET 69 HG3 MET 69 1.176 8.388 0.429 574 HE1 MET 69 HE1 MET 69 -0.872 9.869 0.045 575 HE2 MET 69 HE2 MET 69 -2.212 9.496 -1.036 576 HE3 MET 69 HE3 MET 69 -0.642 9.939 -1.704 577 H ASN 70 H ASN 70 4.508 8.705 -2.672 578 HA ASN 70 HA ASN 70 4.518 10.735 -4.642 579 HB2 ASN 70 HB2 ASN 70 6.074 10.611 -2.688 580 HB3 ASN 70 HB3 ASN 70 6.862 9.208 -3.417 581 HD21 ASN 70 HD21 ASN 70 6.337 12.675 -3.732 582 HD22 ASN 70 HD22 ASN 70 7.693 12.973 -4.754 583 H LEU 71 H LEU 71 5.482 7.376 -4.697 584 HA LEU 71 HA LEU 71 7.032 7.315 -7.054 585 HB2 LEU 71 HB2 LEU 71 6.938 5.709 -5.057 586 HB3 LEU 71 HB3 LEU 71 5.505 5.011 -5.780 587 HG LEU 71 HG LEU 71 8.190 5.066 -7.195 588 HD11 LEU 71 HD11 LEU 71 8.476 3.894 -5.052 589 HD12 LEU 71 HD12 LEU 71 8.560 2.765 -6.401 590 HD13 LEU 71 HD13 LEU 71 7.095 2.855 -5.417 591 HD21 LEU 71 HD21 LEU 71 7.252 3.155 -8.468 592 HD22 LEU 71 HD22 LEU 71 6.282 4.610 -8.667 593 HD23 LEU 71 HD23 LEU 71 5.727 3.324 -7.593 594 H VAL 72 H VAL 72 3.711 6.130 -6.473 595 HA VAL 72 HA VAL 72 3.124 5.412 -9.153 596 HB VAL 72 HB VAL 72 1.152 6.019 -6.898 597 HG11 VAL 72 HG11 VAL 72 0.789 4.377 -9.437 598 HG12 VAL 72 HG12 VAL 72 0.043 5.938 -9.088 599 HG13 VAL 72 HG13 VAL 72 -0.397 4.522 -8.134 600 HG21 VAL 72 HG21 VAL 72 1.177 3.586 -6.431 601 HG22 VAL 72 HG22 VAL 72 2.775 4.293 -6.199 602 HG23 VAL 72 HG23 VAL 72 2.432 3.358 -7.653 603 H ASP 73 H ASP 73 2.641 8.379 -7.303 604 HA ASP 73 HA ASP 73 1.045 9.920 -9.002 605 HB2 ASP 73 HB2 ASP 73 1.745 10.561 -6.698 606 HB3 ASP 73 HB3 ASP 73 3.383 10.836 -7.269 607 H LYS 74 H LYS 74 4.555 9.412 -9.050 608 HA LYS 74 HA LYS 74 5.098 11.276 -11.181 609 HB2 LYS 74 HB2 LYS 74 6.825 9.267 -9.731 610 HB3 LYS 74 HB3 LYS 74 7.427 10.385 -10.959 611 HG2 LYS 74 HG2 LYS 74 6.623 12.296 -9.598 612 HG3 LYS 74 HG3 LYS 74 6.091 11.168 -8.349 613 HD2 LYS 74 HD2 LYS 74 8.189 12.050 -7.639 614 HD3 LYS 74 HD3 LYS 74 8.490 10.395 -8.168 615 HE2 LYS 74 HE2 LYS 74 10.258 11.903 -8.980 616 HE3 LYS 74 HE3 LYS 74 9.339 11.243 -10.332 617 HZ1 LYS 74 HZ1 LYS 74 9.780 13.634 -10.538 618 HZ2 LYS 74 HZ2 LYS 74 8.878 13.924 -9.138 619 HZ3 LYS 74 HZ3 LYS 74 8.124 13.288 -10.516 620 H MET 75 H MET 75 4.939 7.715 -10.966 621 HA MET 75 HA MET 75 5.683 7.211 -13.688 622 HB2 MET 75 HB2 MET 75 4.169 5.383 -11.790 623 HB3 MET 75 HB3 MET 75 4.909 4.899 -13.312 624 HG2 MET 75 HG2 MET 75 7.116 5.801 -12.253 625 HG3 MET 75 HG3 MET 75 6.241 5.662 -10.725 626 HE1 MET 75 HE1 MET 75 4.414 2.920 -11.766 627 HE2 MET 75 HE2 MET 75 4.937 3.302 -10.124 628 HE3 MET 75 HE3 MET 75 5.381 1.753 -10.851 629 H LEU 76 H LEU 76 2.611 7.826 -12.108 630 HA LEU 76 HA LEU 76 0.663 7.252 -13.983 631 HB2 LEU 76 HB2 LEU 76 0.645 8.550 -11.620 632 HB3 LEU 76 HB3 LEU 76 0.665 9.983 -12.647 633 HG LEU 76 HG LEU 76 -1.613 9.418 -11.865 634 HD11 LEU 76 HD11 LEU 76 -2.832 9.496 -13.963 635 HD12 LEU 76 HD12 LEU 76 -1.393 8.989 -14.849 636 HD13 LEU 76 HD13 LEU 76 -1.418 10.547 -14.021 637 HD21 LEU 76 HD21 LEU 76 -1.358 6.997 -11.600 638 HD22 LEU 76 HD22 LEU 76 -1.317 6.792 -13.354 639 HD23 LEU 76 HD23 LEU 76 -2.782 7.383 -12.566 640 H ASN 77 H ASN 77 2.849 9.979 -13.849 641 HA ASN 77 HA ASN 77 1.681 11.383 -16.108 642 HB2 ASN 77 HB2 ASN 77 4.068 12.074 -14.330 643 HB3 ASN 77 HB3 ASN 77 3.219 13.156 -15.427 644 HD21 ASN 77 HD21 ASN 77 3.660 13.204 -12.490 645 HD22 ASN 77 HD22 ASN 77 2.088 13.418 -11.809 646 H SER 78 H SER 78 3.013 12.163 -17.892 647 HA SER 78 HA SER 78 4.853 10.209 -18.977 648 HB2 SER 78 HB2 SER 78 3.218 11.416 -20.429 649 HB3 SER 78 HB3 SER 78 4.054 12.934 -20.098 650 HG SER 78 HG SER 78 4.907 12.213 -21.983 651 H GLU 79 H GLU 79 6.324 10.462 -17.101 652 HA GLU 79 HA GLU 79 8.561 12.242 -17.704 653 HB2 GLU 79 HB2 GLU 79 8.723 12.943 -15.242 654 HB3 GLU 79 HB3 GLU 79 7.390 13.665 -16.132 655 HG2 GLU 79 HG2 GLU 79 5.800 12.154 -15.112 656 HG3 GLU 79 HG3 GLU 79 7.084 11.236 -14.347 657 H ILE 80 H ILE 80 7.186 9.580 -15.807 658 HA ILE 80 HA ILE 80 9.881 8.368 -15.419 659 HB ILE 80 HB ILE 80 7.495 8.013 -13.547 660 HG12 ILE 80 HG12 ILE 80 8.325 10.427 -13.649 661 HG13 ILE 80 HG13 ILE 80 8.296 9.688 -12.086 662 HG21 ILE 80 HG21 ILE 80 9.181 7.181 -11.933 663 HG22 ILE 80 HG22 ILE 80 10.437 7.345 -13.164 664 HG23 ILE 80 HG23 ILE 80 9.114 6.201 -13.400 665 HD11 ILE 80 HD11 ILE 80 10.245 11.085 -12.395 666 HD12 ILE 80 HD12 ILE 80 10.749 10.118 -13.781 667 HD13 ILE 80 HD13 ILE 80 10.730 9.407 -12.164 668 H LYS 81 H LYS 81 10.091 6.361 -16.299 669 HA LYS 81 HA LYS 81 7.774 4.880 -17.313 670 HB2 LYS 81 HB2 LYS 81 10.765 4.304 -17.538 671 HB3 LYS 81 HB3 LYS 81 9.498 3.322 -18.279 672 HG2 LYS 81 HG2 LYS 81 8.775 5.299 -19.609 673 HG3 LYS 81 HG3 LYS 81 10.092 6.237 -18.900 674 HD2 LYS 81 HD2 LYS 81 11.735 4.692 -19.930 675 HD3 LYS 81 HD3 LYS 81 10.413 3.760 -20.643 676 HE2 LYS 81 HE2 LYS 81 9.723 5.744 -21.952 677 HE3 LYS 81 HE3 LYS 81 11.034 6.683 -21.236 678 HZ1 LYS 81 HZ1 LYS 81 11.338 4.293 -22.973 679 HZ2 LYS 81 HZ2 LYS 81 12.609 5.162 -22.279 680 HZ3 LYS 81 HZ3 LYS 81 11.613 5.896 -23.430 681 H ILE 82 H ILE 82 7.350 2.660 -16.739 682 HA ILE 82 HA ILE 82 7.544 2.332 -13.845 683 HB ILE 82 HB ILE 82 5.850 0.802 -15.888 684 HG12 ILE 82 HG12 ILE 82 3.915 2.082 -14.723 685 HG13 ILE 82 HG13 ILE 82 5.149 3.137 -14.044 686 HG21 ILE 82 HG21 ILE 82 4.580 -0.061 -13.951 687 HG22 ILE 82 HG22 ILE 82 5.727 0.711 -12.854 688 HG23 ILE 82 HG23 ILE 82 6.262 -0.588 -13.921 689 HD11 ILE 82 HD11 ILE 82 5.784 3.819 -16.306 690 HD12 ILE 82 HD12 ILE 82 4.077 4.110 -15.984 691 HD13 ILE 82 HD13 ILE 82 4.562 2.735 -16.974 692 H THR 83 H THR 83 9.465 1.470 -13.300 693 HA THR 83 HA THR 83 10.825 -0.521 -14.841 694 HB THR 83 HB THR 83 11.412 0.609 -12.078 695 HG1 THR 83 HG1 THR 83 12.342 2.153 -13.166 696 HG21 THR 83 HG21 THR 83 13.220 -1.156 -13.777 697 HG22 THR 83 HG22 THR 83 12.479 -1.615 -12.241 698 HG23 THR 83 HG23 THR 83 13.691 -0.334 -12.289 699 H SER 84 H SER 84 10.891 -2.730 -14.577 700 HA SER 84 HA SER 84 8.768 -4.098 -13.326 701 HB2 SER 84 HB2 SER 84 9.964 -4.982 -15.300 702 HB3 SER 84 HB3 SER 84 11.412 -5.238 -14.328 703 HG SER 84 HG SER 84 8.949 -6.612 -14.262 704 H ASP 85 H ASP 85 12.196 -3.839 -12.292 705 HA ASP 85 HA ASP 85 12.034 -5.420 -9.939 706 HB2 ASP 85 HB2 ASP 85 13.869 -3.052 -10.473 707 HB3 ASP 85 HB3 ASP 85 14.112 -4.292 -9.244 708 H LEU 86 H LEU 86 11.417 -2.009 -10.556 709 HA LEU 86 HA LEU 86 11.129 -1.119 -7.880 710 HB2 LEU 86 HB2 LEU 86 11.564 0.569 -9.407 711 HB3 LEU 86 HB3 LEU 86 10.421 -0.027 -10.585 712 HG LEU 86 HG LEU 86 9.205 0.979 -8.043 713 HD11 LEU 86 HD11 LEU 86 9.370 3.360 -8.724 714 HD12 LEU 86 HD12 LEU 86 10.484 2.911 -10.019 715 HD13 LEU 86 HD13 LEU 86 10.946 2.675 -8.332 716 HD21 LEU 86 HD21 LEU 86 8.524 1.409 -10.980 717 HD22 LEU 86 HD22 LEU 86 7.538 1.917 -9.607 718 HD23 LEU 86 HD23 LEU 86 7.806 0.203 -9.908 719 H ILE 87 H ILE 87 8.659 -2.176 -10.262 720 HA ILE 87 HA ILE 87 6.350 -2.163 -8.748 721 HB ILE 87 HB ILE 87 7.255 -4.405 -10.603 722 HG12 ILE 87 HG12 ILE 87 5.635 -1.931 -11.351 723 HG13 ILE 87 HG13 ILE 87 7.355 -2.118 -11.662 724 HG21 ILE 87 HG21 ILE 87 4.428 -3.608 -9.830 725 HG22 ILE 87 HG22 ILE 87 5.271 -5.073 -9.321 726 HG23 ILE 87 HG23 ILE 87 4.857 -4.840 -11.019 727 HD11 ILE 87 HD11 ILE 87 6.053 -2.535 -13.662 728 HD12 ILE 87 HD12 ILE 87 5.148 -3.809 -12.848 729 HD13 ILE 87 HD13 ILE 87 6.875 -4.012 -13.159 730 H ASP 88 H ASP 88 9.035 -4.542 -8.643 731 HA ASP 88 HA ASP 88 7.822 -6.265 -6.665 732 HB2 ASP 88 HB2 ASP 88 10.687 -6.039 -7.650 733 HB3 ASP 88 HB3 ASP 88 10.184 -7.212 -6.435 734 H LYS 89 H LYS 89 9.783 -3.366 -6.521 735 HA LYS 89 HA LYS 89 10.517 -3.571 -3.759 736 HB2 LYS 89 HB2 LYS 89 11.512 -2.021 -5.672 737 HB3 LYS 89 HB3 LYS 89 10.247 -0.903 -5.191 738 HG2 LYS 89 HG2 LYS 89 12.294 -0.300 -4.055 739 HG3 LYS 89 HG3 LYS 89 11.154 -0.926 -2.855 740 HD2 LYS 89 HD2 LYS 89 12.297 -3.111 -2.885 741 HD3 LYS 89 HD3 LYS 89 13.401 -2.536 -4.137 742 HE2 LYS 89 HE2 LYS 89 14.334 -0.889 -2.556 743 HE3 LYS 89 HE3 LYS 89 13.207 -1.436 -1.311 744 HZ1 LYS 89 HZ1 LYS 89 14.237 -3.662 -1.485 745 HZ2 LYS 89 HZ2 LYS 89 15.323 -2.471 -0.972 746 HZ3 LYS 89 HZ3 LYS 89 15.376 -3.031 -2.567 747 H VAL 90 H VAL 90 7.765 -2.161 -5.504 748 HA VAL 90 HA VAL 90 6.398 -0.902 -3.355 749 HB VAL 90 HB VAL 90 5.146 -2.201 -5.825 750 HG11 VAL 90 HG11 VAL 90 3.457 -1.663 -4.128 751 HG12 VAL 90 HG12 VAL 90 3.297 -0.581 -5.511 752 HG13 VAL 90 HG13 VAL 90 4.053 -0.002 -4.024 753 HG21 VAL 90 HG21 VAL 90 6.861 -0.621 -6.551 754 HG22 VAL 90 HG22 VAL 90 6.200 0.640 -5.506 755 HG23 VAL 90 HG23 VAL 90 5.265 0.051 -6.883 756 H LYS 91 H LYS 91 6.236 -4.187 -4.688 757 HA LYS 91 HA LYS 91 4.362 -5.386 -2.985 758 HB2 LYS 91 HB2 LYS 91 6.827 -6.556 -4.339 759 HB3 LYS 91 HB3 LYS 91 5.633 -7.546 -3.502 760 HG2 LYS 91 HG2 LYS 91 3.938 -7.027 -5.085 761 HG3 LYS 91 HG3 LYS 91 4.873 -5.699 -5.769 762 HD2 LYS 91 HD2 LYS 91 4.870 -7.611 -7.293 763 HD3 LYS 91 HD3 LYS 91 6.499 -7.294 -6.705 764 HE2 LYS 91 HE2 LYS 91 6.301 -9.174 -5.121 765 HE3 LYS 91 HE3 LYS 91 4.653 -9.479 -5.677 766 HZ1 LYS 91 HZ1 LYS 91 7.098 -9.636 -7.354 767 HZ2 LYS 91 HZ2 LYS 91 5.521 -9.944 -7.877 768 HZ3 LYS 91 HZ3 LYS 91 6.241 -10.956 -6.731 769 H LYS 92 H LYS 92 7.908 -5.041 -2.548 770 HA LYS 92 HA LYS 92 8.043 -6.536 -0.131 771 HB2 LYS 92 HB2 LYS 92 9.969 -6.267 -1.659 772 HB3 LYS 92 HB3 LYS 92 10.037 -4.556 -1.269 773 HG2 LYS 92 HG2 LYS 92 11.748 -5.730 -0.004 774 HG3 LYS 92 HG3 LYS 92 10.502 -5.115 1.093 775 HD2 LYS 92 HD2 LYS 92 9.459 -7.389 1.136 776 HD3 LYS 92 HD3 LYS 92 10.773 -7.987 0.118 777 HE2 LYS 92 HE2 LYS 92 12.395 -7.430 1.900 778 HE3 LYS 92 HE3 LYS 92 11.084 -6.808 2.906 779 HZ1 LYS 92 HZ1 LYS 92 10.105 -9.042 2.875 780 HZ2 LYS 92 HZ2 LYS 92 11.643 -9.024 3.566 781 HZ3 LYS 92 HZ3 LYS 92 11.433 -9.612 1.995 782 H LYS 93 H LYS 93 7.772 -3.063 -0.772 783 HA LYS 93 HA LYS 93 8.031 -2.189 1.933 784 HB2 LYS 93 HB2 LYS 93 6.810 -0.849 -0.514 785 HB3 LYS 93 HB3 LYS 93 6.956 -0.050 1.051 786 HG2 LYS 93 HG2 LYS 93 9.394 -0.226 0.975 787 HG3 LYS 93 HG3 LYS 93 9.306 -1.150 -0.530 788 HD2 LYS 93 HD2 LYS 93 8.304 0.808 -1.665 789 HD3 LYS 93 HD3 LYS 93 8.407 1.734 -0.165 790 HE2 LYS 93 HE2 LYS 93 10.823 1.693 -0.238 791 HE3 LYS 93 HE3 LYS 93 10.817 0.556 -1.590 792 HZ1 LYS 93 HZ1 LYS 93 9.780 2.242 -2.960 793 HZ2 LYS 93 HZ2 LYS 93 11.244 2.807 -2.332 794 HZ3 LYS 93 HZ3 LYS 93 9.780 3.335 -1.671 795 H LEU 94 H LEU 94 5.214 -3.046 -0.062 796 HA LEU 94 HA LEU 94 3.227 -2.545 1.946 797 HB2 LEU 94 HB2 LEU 94 2.828 -2.742 -0.556 798 HB3 LEU 94 HB3 LEU 94 3.049 -4.478 -0.390 799 HG LEU 94 HG LEU 94 1.099 -4.484 1.247 800 HD11 LEU 94 HD11 LEU 94 -0.433 -2.564 1.250 801 HD12 LEU 94 HD12 LEU 94 0.705 -1.639 0.266 802 HD13 LEU 94 HD13 LEU 94 1.145 -2.129 1.906 803 HD21 LEU 94 HD21 LEU 94 0.519 -3.569 -1.583 804 HD22 LEU 94 HD22 LEU 94 -0.638 -4.344 -0.499 805 HD23 LEU 94 HD23 LEU 94 0.784 -5.228 -1.046 806 H ASP 95 H ASP 95 5.274 -5.260 1.153 807 HA ASP 95 HA ASP 95 4.139 -7.331 2.709 808 HB2 ASP 95 HB2 ASP 95 6.130 -7.269 0.896 809 HB3 ASP 95 HB3 ASP 95 7.140 -7.085 2.307 810 H MET 96 H MET 96 6.612 -4.913 3.343 811 HA MET 96 HA MET 96 7.327 -5.420 5.990 812 HB2 MET 96 HB2 MET 96 8.632 -3.980 4.556 813 HB3 MET 96 HB3 MET 96 7.280 -2.886 4.316 814 HG2 MET 96 HG2 MET 96 8.923 -1.882 5.792 815 HG3 MET 96 HG3 MET 96 7.446 -2.203 6.697 816 HE1 MET 96 HE1 MET 96 11.168 -3.306 6.037 817 HE2 MET 96 HE2 MET 96 10.291 -4.783 5.634 818 HE3 MET 96 HE3 MET 96 11.312 -4.727 7.071 819 H VAL 97 H VAL 97 4.614 -3.470 4.717 820 HA VAL 97 HA VAL 97 3.631 -2.357 7.118 821 HB VAL 97 HB VAL 97 1.995 -3.277 4.702 822 HG11 VAL 97 HG11 VAL 97 1.269 -1.203 6.817 823 HG12 VAL 97 HG12 VAL 97 0.541 -2.802 6.640 824 HG13 VAL 97 HG13 VAL 97 0.317 -1.593 5.379 825 HG21 VAL 97 HG21 VAL 97 3.781 -1.756 4.000 826 HG22 VAL 97 HG22 VAL 97 3.303 -0.576 5.221 827 HG23 VAL 97 HG23 VAL 97 2.220 -0.946 3.876 828 H THR 98 H THR 98 3.022 -5.513 5.609 829 HA THR 98 HA THR 98 1.212 -6.564 7.545 830 HB THR 98 HB THR 98 3.069 -8.077 5.649 831 HG1 THR 98 HG1 THR 98 1.715 -7.000 4.341 832 HG21 THR 98 HG21 THR 98 1.483 -9.970 5.888 833 HG22 THR 98 HG22 THR 98 0.573 -9.059 7.096 834 HG23 THR 98 HG23 THR 98 2.227 -9.568 7.438 835 H ARG 99 H ARG 99 4.786 -6.665 7.284 836 HA ARG 99 HA ARG 99 5.180 -8.604 9.369 837 HB2 ARG 99 HB2 ARG 99 7.260 -6.626 8.343 838 HB3 ARG 99 HB3 ARG 99 7.560 -8.161 9.155 839 HG2 ARG 99 HG2 ARG 99 6.452 -7.738 6.367 840 HG3 ARG 99 HG3 ARG 99 8.019 -8.412 6.797 841 HD2 ARG 99 HD2 ARG 99 7.040 -10.444 7.573 842 HD3 ARG 99 HD3 ARG 99 5.417 -9.746 7.610 843 HE ARG 99 HE ARG 99 6.761 -9.966 5.010 844 HH11 ARG 99 HH11 ARG 99 4.306 -11.196 7.122 845 HH12 ARG 99 HH12 ARG 99 3.493 -12.018 5.840 846 HH21 ARG 99 HH21 ARG 99 5.667 -11.009 3.400 847 HH22 ARG 99 HH22 ARG 99 4.238 -11.911 3.780 848 H GLU 100 H GLU 100 5.076 -5.089 9.318 849 HA GLU 100 HA GLU 100 5.940 -4.465 11.923 850 HB2 GLU 100 HB2 GLU 100 5.660 -2.705 10.297 851 HB3 GLU 100 HB3 GLU 100 3.974 -3.123 10.033 852 HG2 GLU 100 HG2 GLU 100 4.071 -1.086 11.304 853 HG3 GLU 100 HG3 GLU 100 3.431 -2.359 12.328 854 H LEU 101 H LEU 101 2.630 -4.973 10.691 855 HA LEU 101 HA LEU 101 1.358 -4.774 13.239 856 HB2 LEU 101 HB2 LEU 101 0.312 -4.256 10.987 857 HB3 LEU 101 HB3 LEU 101 0.216 -5.985 10.698 858 HG LEU 101 HG LEU 101 -1.347 -6.258 12.579 859 HD11 LEU 101 HD11 LEU 101 -1.080 -3.261 13.021 860 HD12 LEU 101 HD12 LEU 101 -0.501 -4.532 14.102 861 HD13 LEU 101 HD13 LEU 101 -2.230 -4.329 13.834 862 HD21 LEU 101 HD21 LEU 101 -2.189 -4.005 10.720 863 HD22 LEU 101 HD22 LEU 101 -3.277 -5.018 11.671 864 HD23 LEU 101 HD23 LEU 101 -2.309 -5.736 10.387 865 H ASP 102 H ASP 102 2.704 -7.433 11.414 866 HA ASP 102 HA ASP 102 1.659 -9.650 12.823 867 HB2 ASP 102 HB2 ASP 102 2.881 -9.867 10.685 868 HB3 ASP 102 HB3 ASP 102 4.364 -9.316 11.452 869 H LYS 103 H LYS 103 4.627 -7.732 13.333 870 HA LYS 103 HA LYS 103 5.651 -8.898 15.662 871 HB2 LYS 103 HB2 LYS 103 6.858 -7.207 14.334 872 HB3 LYS 103 HB3 LYS 103 5.656 -5.996 14.748 873 HG2 LYS 103 HG2 LYS 103 6.414 -6.314 17.201 874 HG3 LYS 103 HG3 LYS 103 7.784 -7.209 16.538 875 HD2 LYS 103 HD2 LYS 103 8.410 -4.855 16.940 876 HD3 LYS 103 HD3 LYS 103 8.450 -5.215 15.212 877 HE2 LYS 103 HE2 LYS 103 6.202 -4.170 14.964 878 HE3 LYS 103 HE3 LYS 103 6.207 -3.783 16.686 879 HZ1 LYS 103 HZ1 LYS 103 6.831 -1.930 15.223 880 HZ2 LYS 103 HZ2 LYS 103 8.210 -2.784 14.741 881 HZ3 LYS 103 HZ3 LYS 103 8.029 -2.309 16.357 882 H LYS 104 H LYS 104 3.112 -6.452 15.271 883 HA LYS 104 HA LYS 104 2.730 -5.753 17.996 884 HB2 LYS 104 HB2 LYS 104 0.867 -5.536 15.597 885 HB3 LYS 104 HB3 LYS 104 0.508 -4.833 17.174 886 HG2 LYS 104 HG2 LYS 104 2.879 -4.111 15.410 887 HG3 LYS 104 HG3 LYS 104 1.394 -3.165 15.585 888 HD2 LYS 104 HD2 LYS 104 1.899 -2.878 18.013 889 HD3 LYS 104 HD3 LYS 104 3.404 -3.776 17.793 890 HE2 LYS 104 HE2 LYS 104 4.229 -2.029 16.269 891 HE3 LYS 104 HE3 LYS 104 2.711 -1.148 16.442 892 HZ1 LYS 104 HZ1 LYS 104 3.162 -0.911 18.801 893 HZ2 LYS 104 HZ2 LYS 104 4.395 -0.229 17.870 894 HZ3 LYS 104 HZ3 LYS 104 4.634 -1.724 18.619 895 H VAL 105 H VAL 105 0.936 -8.048 15.896 896 HA VAL 105 HA VAL 105 -0.840 -8.893 18.009 897 HB VAL 105 HB VAL 105 -1.538 -8.798 15.610 898 HG11 VAL 105 HG11 VAL 105 0.491 -9.652 14.525 899 HG12 VAL 105 HG12 VAL 105 -0.918 -10.590 14.030 900 HG13 VAL 105 HG13 VAL 105 0.211 -11.254 15.214 901 HG21 VAL 105 HG21 VAL 105 -1.859 -11.551 16.871 902 HG22 VAL 105 HG22 VAL 105 -2.880 -10.878 15.597 903 HG23 VAL 105 HG23 VAL 105 -2.862 -10.135 17.197 904 H SER 106 H SER 106 2.283 -9.929 16.914 905 HA SER 106 HA SER 106 2.220 -12.568 18.151 906 HB2 SER 106 HB2 SER 106 3.665 -12.170 16.166 907 HB3 SER 106 HB3 SER 106 4.591 -10.968 17.061 908 HG SER 106 HG SER 106 5.731 -12.534 17.849 909 H GLY 107 H GLY 107 2.903 -13.086 20.180 910 HA2 GLY 107 HA2 GLY 107 3.458 -11.150 22.206 911 HA3 GLY 107 HA3 GLY 107 3.633 -12.896 22.347 912 H SER 108 H SER 108 5.257 -9.925 21.346 913 HA SER 108 HA SER 108 7.829 -11.329 20.928 914 HB2 SER 108 HB2 SER 108 7.050 -8.477 20.156 915 HB3 SER 108 HB3 SER 108 8.518 -9.332 19.674 916 HG SER 108 HG SER 108 5.906 -9.566 18.728 917 H TYR 109 H TYR 109 8.969 -11.439 22.841 918 HA TYR 109 HA TYR 109 9.136 -9.118 24.646 919 HB2 TYR 109 HB2 TYR 109 8.937 -11.298 25.740 920 HB3 TYR 109 HB3 TYR 109 10.335 -11.920 24.870 921 HD1 TYR 109 HD1 TYR 109 9.378 -9.207 27.303 922 HD2 TYR 109 HD2 TYR 109 12.477 -11.816 25.932 923 HE1 TYR 109 HE1 TYR 109 10.836 -8.445 29.127 924 HE2 TYR 109 HE2 TYR 109 13.931 -11.056 27.763 925 HH TYR 109 HH TYR 109 14.170 -9.107 29.236 926 H LEU 110 H LEU 110 11.595 -11.296 23.187 927 HA LEU 110 HA LEU 110 13.694 -11.045 22.436 928 HB2 LEU 110 HB2 LEU 110 12.615 -8.326 21.651 929 HB3 LEU 110 HB3 LEU 110 14.299 -8.728 21.376 930 HG LEU 110 HG LEU 110 13.608 -10.630 19.923 931 HD11 LEU 110 HD11 LEU 110 11.404 -11.150 20.840 932 HD12 LEU 110 HD12 LEU 110 11.303 -10.848 19.107 933 HD13 LEU 110 HD13 LEU 110 10.771 -9.611 20.252 934 HD21 LEU 110 HD21 LEU 110 14.161 -8.450 18.934 935 HD22 LEU 110 HD22 LEU 110 12.470 -7.955 19.052 936 HD23 LEU 110 HD23 LEU 110 12.930 -9.289 17.992 937 H VAL 111 H VAL 111 15.308 -11.182 23.854 938 HA VAL 111 HA VAL 111 15.606 -9.733 26.241 939 HB VAL 111 HB VAL 111 17.896 -10.760 26.388 940 HG11 VAL 111 HG11 VAL 111 17.150 -13.122 26.443 941 HG12 VAL 111 HG12 VAL 111 15.709 -12.695 25.518 942 HG13 VAL 111 HG13 VAL 111 15.937 -12.047 27.144 943 HG21 VAL 111 HG21 VAL 111 18.548 -10.637 24.008 944 HG22 VAL 111 HG22 VAL 111 17.313 -11.825 23.588 945 HG23 VAL 111 HG23 VAL 111 18.681 -12.297 24.598 946 HA PRO 112 HA PRO 112 17.477 -5.845 25.066 947 HB2 PRO 112 HB2 PRO 112 18.992 -5.221 27.284 948 HB3 PRO 112 HB3 PRO 112 17.226 -5.133 27.255 949 HG2 PRO 112 HG2 PRO 112 18.999 -7.345 28.300 950 HG3 PRO 112 HG3 PRO 112 17.568 -6.604 29.057 951 HD2 PRO 112 HD2 PRO 112 17.417 -8.973 27.760 952 HD3 PRO 112 HD3 PRO 112 16.077 -7.806 27.711 953 H ARG 113 H ARG 113 19.750 -8.361 26.158 954 HA ARG 113 HA ARG 113 21.716 -7.415 24.132 955 HB2 ARG 113 HB2 ARG 113 22.351 -7.096 26.685 956 HB3 ARG 113 HB3 ARG 113 22.660 -8.826 26.660 957 HG2 ARG 113 HG2 ARG 113 24.003 -6.800 24.824 958 HG3 ARG 113 HG3 ARG 113 24.700 -7.394 26.328 959 HD2 ARG 113 HD2 ARG 113 24.860 -9.647 25.409 960 HD3 ARG 113 HD3 ARG 113 24.004 -9.152 23.945 961 HE ARG 113 HE ARG 113 26.320 -7.562 24.308 962 HH11 ARG 113 HH11 ARG 113 25.457 -10.772 23.280 963 HH12 ARG 113 HH12 ARG 113 26.861 -10.920 22.287 964 HH21 ARG 113 HH21 ARG 113 28.099 -7.818 23.052 965 HH22 ARG 113 HH22 ARG 113 28.334 -9.285 22.168 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -22.833 3.821 20.792 2 H2 MET 1 H2 MET 1 -22.396 4.107 19.185 3 H3 MET 1 H3 MET 1 -23.290 5.263 20.037 4 HA MET 1 HA MET 1 -20.958 5.872 19.797 5 HB2 MET 1 HB2 MET 1 -22.272 6.736 21.700 6 HB3 MET 1 HB3 MET 1 -21.886 5.304 22.646 7 HG2 MET 1 HG2 MET 1 -20.549 7.301 23.291 8 HG3 MET 1 HG3 MET 1 -19.556 5.940 22.775 9 HE1 MET 1 HE1 MET 1 -21.570 8.437 20.390 10 HE2 MET 1 HE2 MET 1 -20.329 9.655 20.096 11 HE3 MET 1 HE3 MET 1 -21.022 9.475 21.708 12 H GLY 2 H GLY 2 -19.187 4.784 19.144 13 HA2 GLY 2 HA2 GLY 2 -18.201 2.446 20.700 14 HA3 GLY 2 HA3 GLY 2 -17.862 2.753 19.003 15 H SER 3 H SER 3 -16.013 2.336 21.285 16 HA SER 3 HA SER 3 -14.631 4.848 21.705 17 HB2 SER 3 HB2 SER 3 -12.955 3.521 22.911 18 HB3 SER 3 HB3 SER 3 -14.562 2.985 23.397 19 HG SER 3 HG SER 3 -13.822 1.083 22.893 20 H HIS 4 H HIS 4 -12.427 5.283 20.970 21 HA HIS 4 HA HIS 4 -11.857 4.789 18.247 22 HB2 HIS 4 HB2 HIS 4 -10.074 5.791 20.503 23 HB3 HIS 4 HB3 HIS 4 -9.553 5.730 18.819 24 HD1 HIS 4 HD1 HIS 4 -11.929 7.555 21.112 25 HD2 HIS 4 HD2 HIS 4 -10.576 7.742 17.182 26 HE1 HIS 4 HE1 HIS 4 -12.783 9.732 20.204 27 HE2 HIS 4 HE2 HIS 4 -11.959 9.823 17.836 28 H GLN 5 H GLN 5 -10.861 3.067 21.174 29 HA GLN 5 HA GLN 5 -8.984 1.261 20.055 30 HB2 GLN 5 HB2 GLN 5 -10.908 0.906 22.395 31 HB3 GLN 5 HB3 GLN 5 -9.601 -0.212 22.012 32 HG2 GLN 5 HG2 GLN 5 -7.946 1.574 22.408 33 HG3 GLN 5 HG3 GLN 5 -9.250 2.704 22.782 34 HE21 GLN 5 HE21 GLN 5 -8.384 3.042 24.883 35 HE22 GLN 5 HE22 GLN 5 -8.534 1.858 26.129 36 H GLU 6 H GLU 6 -12.520 1.015 20.468 37 HA GLU 6 HA GLU 6 -12.934 -1.554 19.354 38 HB2 GLU 6 HB2 GLU 6 -14.566 -0.222 20.782 39 HB3 GLU 6 HB3 GLU 6 -14.900 0.778 19.377 40 HG2 GLU 6 HG2 GLU 6 -16.658 -0.863 19.637 41 HG3 GLU 6 HG3 GLU 6 -15.744 -1.213 18.167 42 H TYR 7 H TYR 7 -12.890 1.674 17.923 43 HA TYR 7 HA TYR 7 -13.630 1.112 15.268 44 HB2 TYR 7 HB2 TYR 7 -13.532 3.403 16.107 45 HB3 TYR 7 HB3 TYR 7 -11.807 3.270 16.418 46 HD1 TYR 7 HD1 TYR 7 -14.253 3.023 13.553 47 HD2 TYR 7 HD2 TYR 7 -10.325 4.190 14.802 48 HE1 TYR 7 HE1 TYR 7 -13.811 3.953 11.318 49 HE2 TYR 7 HE2 TYR 7 -9.892 5.121 12.565 50 HH TYR 7 HH TYR 7 -12.366 5.580 10.246 51 H ILE 8 H ILE 8 -10.382 1.287 16.768 52 HA ILE 8 HA ILE 8 -8.840 0.622 14.512 53 HB ILE 8 HB ILE 8 -8.242 0.331 17.482 54 HG12 ILE 8 HG12 ILE 8 -8.484 2.655 16.768 55 HG13 ILE 8 HG13 ILE 8 -6.782 2.349 17.081 56 HG21 ILE 8 HG21 ILE 8 -6.260 -0.077 15.210 57 HG22 ILE 8 HG22 ILE 8 -6.821 -1.306 16.346 58 HG23 ILE 8 HG23 ILE 8 -5.844 0.045 16.921 59 HD11 ILE 8 HD11 ILE 8 -7.036 3.715 15.123 60 HD12 ILE 8 HD12 ILE 8 -8.116 2.537 14.378 61 HD13 ILE 8 HD13 ILE 8 -6.415 2.137 14.641 62 H LYS 9 H LYS 9 -10.362 -1.504 16.927 63 HA LYS 9 HA LYS 9 -9.348 -3.999 16.145 64 HB2 LYS 9 HB2 LYS 9 -12.115 -3.263 17.167 65 HB3 LYS 9 HB3 LYS 9 -11.545 -4.919 17.008 66 HG2 LYS 9 HG2 LYS 9 -9.882 -4.604 18.719 67 HG3 LYS 9 HG3 LYS 9 -10.163 -2.861 18.751 68 HD2 LYS 9 HD2 LYS 9 -11.215 -3.983 20.690 69 HD3 LYS 9 HD3 LYS 9 -12.414 -3.198 19.664 70 HE2 LYS 9 HE2 LYS 9 -12.893 -5.444 18.620 71 HE3 LYS 9 HE3 LYS 9 -11.803 -6.177 19.801 72 HZ1 LYS 9 HZ1 LYS 9 -14.278 -4.649 20.413 73 HZ2 LYS 9 HZ2 LYS 9 -13.235 -5.321 21.558 74 HZ3 LYS 9 HZ3 LYS 9 -14.091 -6.328 20.511 75 H LYS 10 H LYS 10 -12.038 -2.119 14.754 76 HA LYS 10 HA LYS 10 -12.789 -4.028 12.736 77 HB2 LYS 10 HB2 LYS 10 -13.316 -1.021 12.825 78 HB3 LYS 10 HB3 LYS 10 -14.146 -2.191 11.797 79 HG2 LYS 10 HG2 LYS 10 -15.039 -3.301 13.844 80 HG3 LYS 10 HG3 LYS 10 -14.263 -2.061 14.830 81 HD2 LYS 10 HD2 LYS 10 -16.652 -1.565 14.538 82 HD3 LYS 10 HD3 LYS 10 -15.671 -0.324 13.755 83 HE2 LYS 10 HE2 LYS 10 -17.623 -1.000 12.367 84 HE3 LYS 10 HE3 LYS 10 -16.094 -1.334 11.560 85 HZ1 LYS 10 HZ1 LYS 10 -17.628 -3.161 11.310 86 HZ2 LYS 10 HZ2 LYS 10 -17.774 -3.319 12.985 87 HZ3 LYS 10 HZ3 LYS 10 -16.300 -3.649 12.235 88 H VAL 11 H VAL 11 -10.748 -1.117 12.763 89 HA VAL 11 HA VAL 11 -10.089 -0.955 10.029 90 HB VAL 11 HB VAL 11 -8.546 0.042 12.465 91 HG11 VAL 11 HG11 VAL 11 -8.209 0.876 9.556 92 HG12 VAL 11 HG12 VAL 11 -7.035 -0.022 10.521 93 HG13 VAL 11 HG13 VAL 11 -7.428 1.646 10.941 94 HG21 VAL 11 HG21 VAL 11 -9.626 2.217 11.988 95 HG22 VAL 11 HG22 VAL 11 -10.825 0.964 12.305 96 HG23 VAL 11 HG23 VAL 11 -10.517 1.488 10.649 97 H THR 12 H THR 12 -8.807 -2.991 12.555 98 HA THR 12 HA THR 12 -6.422 -3.929 11.412 99 HB THR 12 HB THR 12 -8.423 -5.477 13.128 100 HG1 THR 12 HG1 THR 12 -7.748 -3.897 14.432 101 HG21 THR 12 HG21 THR 12 -6.811 -7.016 12.031 102 HG22 THR 12 HG22 THR 12 -6.518 -6.918 13.767 103 HG23 THR 12 HG23 THR 12 -5.469 -6.049 12.646 104 H ASP 13 H ASP 13 -9.785 -5.153 11.016 105 HA ASP 13 HA ASP 13 -9.106 -7.199 9.109 106 HB2 ASP 13 HB2 ASP 13 -11.832 -5.961 9.647 107 HB3 ASP 13 HB3 ASP 13 -11.521 -7.504 8.852 108 H GLU 14 H GLU 14 -10.141 -3.817 8.824 109 HA GLU 14 HA GLU 14 -10.603 -3.660 6.042 110 HB2 GLU 14 HB2 GLU 14 -9.357 -1.520 7.827 111 HB3 GLU 14 HB3 GLU 14 -10.084 -1.243 6.248 112 HG2 GLU 14 HG2 GLU 14 -11.511 -2.142 8.753 113 HG3 GLU 14 HG3 GLU 14 -11.581 -0.538 8.037 114 H LEU 15 H LEU 15 -7.632 -3.449 7.920 115 HA LEU 15 HA LEU 15 -5.747 -2.894 5.923 116 HB2 LEU 15 HB2 LEU 15 -5.159 -2.581 8.197 117 HB3 LEU 15 HB3 LEU 15 -5.613 -4.207 8.648 118 HG LEU 15 HG LEU 15 -3.284 -4.005 6.758 119 HD11 LEU 15 HD11 LEU 15 -1.661 -3.459 8.518 120 HD12 LEU 15 HD12 LEU 15 -2.976 -3.162 9.660 121 HD13 LEU 15 HD13 LEU 15 -2.779 -2.121 8.249 122 HD21 LEU 15 HD21 LEU 15 -4.037 -6.193 7.621 123 HD22 LEU 15 HD22 LEU 15 -3.741 -5.656 9.277 124 HD23 LEU 15 HD23 LEU 15 -2.392 -5.835 8.150 125 H LYS 16 H LYS 16 -7.124 -6.016 6.947 126 HA LYS 16 HA LYS 16 -5.426 -7.808 5.574 127 HB2 LYS 16 HB2 LYS 16 -8.280 -7.976 6.557 128 HB3 LYS 16 HB3 LYS 16 -7.708 -9.242 5.488 129 HG2 LYS 16 HG2 LYS 16 -7.558 -9.848 7.878 130 HG3 LYS 16 HG3 LYS 16 -5.999 -9.905 7.050 131 HD2 LYS 16 HD2 LYS 16 -5.353 -7.759 8.036 132 HD3 LYS 16 HD3 LYS 16 -6.948 -7.593 8.781 133 HE2 LYS 16 HE2 LYS 16 -5.170 -8.335 10.370 134 HE3 LYS 16 HE3 LYS 16 -6.519 -9.469 10.252 135 HZ1 LYS 16 HZ1 LYS 16 -4.301 -10.525 10.221 136 HZ2 LYS 16 HZ2 LYS 16 -3.983 -9.764 8.743 137 HZ3 LYS 16 HZ3 LYS 16 -5.236 -10.890 8.861 138 H GLU 17 H GLU 17 -8.449 -6.295 4.494 139 HA GLU 17 HA GLU 17 -8.551 -7.481 1.898 140 HB2 GLU 17 HB2 GLU 17 -9.920 -4.957 2.918 141 HB3 GLU 17 HB3 GLU 17 -10.353 -5.831 1.447 142 HG2 GLU 17 HG2 GLU 17 -10.581 -6.876 4.294 143 HG3 GLU 17 HG3 GLU 17 -11.909 -6.335 3.269 144 H LEU 18 H LEU 18 -7.264 -4.522 3.166 145 HA LEU 18 HA LEU 18 -6.747 -3.131 0.778 146 HB2 LEU 18 HB2 LEU 18 -6.554 -2.647 3.535 147 HB3 LEU 18 HB3 LEU 18 -4.883 -2.586 3.023 148 HG LEU 18 HG LEU 18 -5.283 -0.716 1.567 149 HD11 LEU 18 HD11 LEU 18 -8.253 -1.122 2.036 150 HD12 LEU 18 HD12 LEU 18 -7.364 -1.413 0.537 151 HD13 LEU 18 HD13 LEU 18 -7.520 0.227 1.157 152 HD21 LEU 18 HD21 LEU 18 -6.871 -0.264 4.118 153 HD22 LEU 18 HD22 LEU 18 -6.136 0.982 3.105 154 HD23 LEU 18 HD23 LEU 18 -5.114 -0.165 3.964 155 H ILE 19 H ILE 19 -4.511 -4.989 2.853 156 HA ILE 19 HA ILE 19 -2.262 -5.076 1.174 157 HB ILE 19 HB ILE 19 -3.261 -7.025 3.301 158 HG12 ILE 19 HG12 ILE 19 -1.024 -4.949 3.459 159 HG13 ILE 19 HG13 ILE 19 -2.665 -4.679 4.038 160 HG21 ILE 19 HG21 ILE 19 -0.515 -7.046 1.998 161 HG22 ILE 19 HG22 ILE 19 -1.751 -8.293 1.838 162 HG23 ILE 19 HG23 ILE 19 -0.988 -8.006 3.401 163 HD11 ILE 19 HD11 ILE 19 -0.757 -6.770 5.093 164 HD12 ILE 19 HD12 ILE 19 -2.399 -6.454 5.682 165 HD13 ILE 19 HD13 ILE 19 -1.145 -5.223 5.850 166 H GLN 20 H GLN 20 -5.094 -7.218 1.337 167 HA GLN 20 HA GLN 20 -4.184 -9.401 -0.171 168 HB2 GLN 20 HB2 GLN 20 -6.199 -9.364 1.301 169 HB3 GLN 20 HB3 GLN 20 -7.029 -8.360 0.122 170 HG2 GLN 20 HG2 GLN 20 -6.892 -10.223 -1.518 171 HG3 GLN 20 HG3 GLN 20 -6.117 -11.224 -0.290 172 HE21 GLN 20 HE21 GLN 20 -7.881 -10.173 1.881 173 HE22 GLN 20 HE22 GLN 20 -9.417 -10.908 1.615 174 H ASN 21 H ASN 21 -6.333 -6.736 -1.308 175 HA ASN 21 HA ASN 21 -6.354 -7.585 -4.029 176 HB2 ASN 21 HB2 ASN 21 -7.168 -4.944 -2.751 177 HB3 ASN 21 HB3 ASN 21 -7.403 -5.307 -4.464 178 HD21 ASN 21 HD21 ASN 21 -8.817 -7.054 -5.032 179 HD22 ASN 21 HD22 ASN 21 -10.062 -7.553 -3.942 180 H VAL 22 H VAL 22 -4.632 -4.860 -2.430 181 HA VAL 22 HA VAL 22 -3.270 -3.789 -4.599 182 HB VAL 22 HB VAL 22 -2.455 -3.953 -1.666 183 HG11 VAL 22 HG11 VAL 22 -0.336 -3.728 -2.875 184 HG12 VAL 22 HG12 VAL 22 -0.737 -2.197 -2.097 185 HG13 VAL 22 HG13 VAL 22 -0.988 -2.396 -3.836 186 HG21 VAL 22 HG21 VAL 22 -4.415 -2.571 -2.179 187 HG22 VAL 22 HG22 VAL 22 -3.485 -1.658 -3.369 188 HG23 VAL 22 HG23 VAL 22 -3.069 -1.558 -1.656 189 H ASN 23 H ASN 23 -2.193 -6.491 -2.513 190 HA ASN 23 HA ASN 23 0.395 -6.890 -3.462 191 HB2 ASN 23 HB2 ASN 23 -0.917 -8.049 -1.499 192 HB3 ASN 23 HB3 ASN 23 -1.399 -9.233 -2.704 193 HD21 ASN 23 HD21 ASN 23 0.169 -9.681 -0.350 194 HD22 ASN 23 HD22 ASN 23 1.715 -10.259 -0.849 195 H ASP 24 H ASP 24 -2.632 -8.378 -4.622 196 HA ASP 24 HA ASP 24 -1.431 -9.901 -6.726 197 HB2 ASP 24 HB2 ASP 24 -3.557 -10.548 -5.583 198 HB3 ASP 24 HB3 ASP 24 -4.358 -9.166 -6.329 199 H ASP 25 H ASP 25 -3.074 -6.755 -6.595 200 HA ASP 25 HA ASP 25 -3.293 -6.217 -9.344 201 HB2 ASP 25 HB2 ASP 25 -3.235 -4.474 -6.873 202 HB3 ASP 25 HB3 ASP 25 -3.181 -3.695 -8.447 203 H ILE 26 H ILE 26 -0.581 -5.559 -7.110 204 HA ILE 26 HA ILE 26 1.085 -4.125 -8.919 205 HB ILE 26 HB ILE 26 2.030 -5.896 -6.612 206 HG12 ILE 26 HG12 ILE 26 1.436 -2.905 -6.466 207 HG13 ILE 26 HG13 ILE 26 0.303 -4.136 -5.938 208 HG21 ILE 26 HG21 ILE 26 4.002 -4.409 -6.544 209 HG22 ILE 26 HG22 ILE 26 3.378 -3.502 -7.925 210 HG23 ILE 26 HG23 ILE 26 3.850 -5.191 -8.119 211 HD11 ILE 26 HD11 ILE 26 3.044 -3.626 -4.789 212 HD12 ILE 26 HD12 ILE 26 1.946 -4.911 -4.268 213 HD13 ILE 26 HD13 ILE 26 1.494 -3.220 -4.055 214 H LYS 27 H LYS 27 0.750 -7.611 -8.275 215 HA LYS 27 HA LYS 27 2.795 -8.629 -9.960 216 HB2 LYS 27 HB2 LYS 27 0.114 -9.894 -9.258 217 HB3 LYS 27 HB3 LYS 27 1.519 -10.759 -9.876 218 HG2 LYS 27 HG2 LYS 27 2.731 -10.429 -7.841 219 HG3 LYS 27 HG3 LYS 27 1.571 -9.237 -7.259 220 HD2 LYS 27 HD2 LYS 27 1.102 -11.205 -6.020 221 HD3 LYS 27 HD3 LYS 27 -0.170 -11.117 -7.230 222 HE2 LYS 27 HE2 LYS 27 2.310 -12.845 -7.519 223 HE3 LYS 27 HE3 LYS 27 0.791 -13.421 -6.843 224 HZ1 LYS 27 HZ1 LYS 27 -0.269 -12.867 -8.976 225 HZ2 LYS 27 HZ2 LYS 27 0.946 -14.033 -9.125 226 HZ3 LYS 27 HZ3 LYS 27 1.242 -12.441 -9.602 227 H GLU 28 H GLU 28 -0.605 -7.810 -10.573 228 HA GLU 28 HA GLU 28 -0.759 -8.552 -13.309 229 HB2 GLU 28 HB2 GLU 28 -2.354 -6.505 -11.718 230 HB3 GLU 28 HB3 GLU 28 -2.764 -7.021 -13.352 231 HG2 GLU 28 HG2 GLU 28 -2.640 -8.868 -10.945 232 HG3 GLU 28 HG3 GLU 28 -4.114 -8.107 -11.546 233 H VAL 29 H VAL 29 0.518 -5.649 -11.738 234 HA VAL 29 HA VAL 29 0.649 -4.065 -14.132 235 HB VAL 29 HB VAL 29 2.369 -3.664 -11.644 236 HG11 VAL 29 HG11 VAL 29 2.477 -1.331 -12.427 237 HG12 VAL 29 HG12 VAL 29 1.506 -1.733 -13.833 238 HG13 VAL 29 HG13 VAL 29 3.116 -2.429 -13.640 239 HG21 VAL 29 HG21 VAL 29 0.035 -3.653 -10.912 240 HG22 VAL 29 HG22 VAL 29 -0.400 -2.519 -12.189 241 HG23 VAL 29 HG23 VAL 29 0.675 -2.008 -10.879 242 H GLU 30 H GLU 30 2.797 -6.470 -12.677 243 HA GLU 30 HA GLU 30 5.209 -5.781 -13.984 244 HB2 GLU 30 HB2 GLU 30 4.273 -8.524 -13.074 245 HB3 GLU 30 HB3 GLU 30 5.931 -8.112 -13.521 246 HG2 GLU 30 HG2 GLU 30 5.941 -6.416 -11.668 247 HG3 GLU 30 HG3 GLU 30 4.347 -6.991 -11.188 248 H LYS 31 H LYS 31 2.441 -7.628 -15.157 249 HA LYS 31 HA LYS 31 3.679 -8.097 -17.782 250 HB2 LYS 31 HB2 LYS 31 1.484 -9.182 -18.342 251 HB3 LYS 31 HB3 LYS 31 2.297 -9.901 -16.955 252 HG2 LYS 31 HG2 LYS 31 0.802 -8.752 -15.415 253 HG3 LYS 31 HG3 LYS 31 0.027 -7.892 -16.747 254 HD2 LYS 31 HD2 LYS 31 -0.020 -10.909 -16.345 255 HD3 LYS 31 HD3 LYS 31 -1.323 -9.804 -15.893 256 HE2 LYS 31 HE2 LYS 31 -1.496 -9.123 -18.315 257 HE3 LYS 31 HE3 LYS 31 -0.302 -10.366 -18.705 258 HZ1 LYS 31 HZ1 LYS 31 -1.826 -12.015 -17.795 259 HZ2 LYS 31 HZ2 LYS 31 -2.521 -11.162 -19.076 260 HZ3 LYS 31 HZ3 LYS 31 -2.964 -10.808 -17.483 261 H ASN 32 H ASN 32 1.409 -5.870 -16.251 262 HA ASN 32 HA ASN 32 1.050 -4.373 -18.799 263 HB2 ASN 32 HB2 ASN 32 -0.995 -5.030 -16.646 264 HB3 ASN 32 HB3 ASN 32 -1.231 -3.677 -17.747 265 HD21 ASN 32 HD21 ASN 32 -1.585 -4.091 -19.949 266 HD22 ASN 32 HD22 ASN 32 -2.063 -5.653 -20.509 267 HA PRO 33 HA PRO 33 3.183 -1.821 -15.516 268 HB2 PRO 33 HB2 PRO 33 5.078 -0.624 -17.069 269 HB3 PRO 33 HB3 PRO 33 5.227 -2.294 -16.502 270 HG2 PRO 33 HG2 PRO 33 4.274 -1.284 -19.183 271 HG3 PRO 33 HG3 PRO 33 5.424 -2.594 -18.833 272 HD2 PRO 33 HD2 PRO 33 2.804 -3.075 -19.427 273 HD3 PRO 33 HD3 PRO 33 3.734 -4.119 -18.331 274 H GLU 34 H GLU 34 2.296 -0.498 -18.712 275 HA GLU 34 HA GLU 34 2.185 2.237 -17.698 276 HB2 GLU 34 HB2 GLU 34 1.566 1.236 -20.508 277 HB3 GLU 34 HB3 GLU 34 1.925 2.892 -20.020 278 HG2 GLU 34 HG2 GLU 34 3.843 0.554 -19.949 279 HG3 GLU 34 HG3 GLU 34 3.836 1.834 -21.160 280 H ASP 35 H ASP 35 0.010 -0.337 -17.877 281 HA ASP 35 HA ASP 35 -2.428 1.065 -18.416 282 HB2 ASP 35 HB2 ASP 35 -1.929 -1.584 -16.977 283 HB3 ASP 35 HB3 ASP 35 -3.513 -0.989 -17.483 284 H MET 36 H MET 36 -2.435 2.899 -17.201 285 HA MET 36 HA MET 36 -1.487 3.215 -14.588 286 HB2 MET 36 HB2 MET 36 -3.409 5.002 -16.116 287 HB3 MET 36 HB3 MET 36 -2.510 5.457 -14.692 288 HG2 MET 36 HG2 MET 36 -1.104 4.592 -17.219 289 HG3 MET 36 HG3 MET 36 -1.639 6.247 -16.973 290 HE1 MET 36 HE1 MET 36 0.285 3.506 -14.659 291 HE2 MET 36 HE2 MET 36 1.884 4.242 -14.716 292 HE3 MET 36 HE3 MET 36 1.157 3.601 -16.197 293 H GLU 37 H GLU 37 -4.628 2.294 -15.696 294 HA GLU 37 HA GLU 37 -6.308 3.012 -13.582 295 HB2 GLU 37 HB2 GLU 37 -6.505 0.631 -15.471 296 HB3 GLU 37 HB3 GLU 37 -7.789 1.092 -14.364 297 HG2 GLU 37 HG2 GLU 37 -8.317 1.908 -16.576 298 HG3 GLU 37 HG3 GLU 37 -7.995 3.276 -15.510 299 H TYR 38 H TYR 38 -4.281 0.091 -13.932 300 HA TYR 38 HA TYR 38 -5.032 -1.189 -11.499 301 HB2 TYR 38 HB2 TYR 38 -2.632 -1.423 -13.326 302 HB3 TYR 38 HB3 TYR 38 -2.586 -2.213 -11.754 303 HD1 TYR 38 HD1 TYR 38 -4.235 -3.998 -11.199 304 HD2 TYR 38 HD2 TYR 38 -3.983 -2.367 -15.148 305 HE1 TYR 38 HE1 TYR 38 -5.493 -5.916 -12.066 306 HE2 TYR 38 HE2 TYR 38 -5.244 -4.299 -16.016 307 HH TYR 38 HH TYR 38 -6.850 -6.531 -13.943 308 H TRP 39 H TRP 39 -2.424 1.136 -12.242 309 HA TRP 39 HA TRP 39 -1.422 1.351 -9.597 310 HB2 TRP 39 HB2 TRP 39 -1.171 3.135 -12.030 311 HB3 TRP 39 HB3 TRP 39 -0.495 3.625 -10.484 312 HD1 TRP 39 HD1 TRP 39 0.740 2.238 -13.500 313 HE1 TRP 39 HE1 TRP 39 2.827 0.799 -13.163 314 HE3 TRP 39 HE3 TRP 39 0.378 1.395 -8.454 315 HZ2 TRP 39 HZ2 TRP 39 4.139 -0.553 -11.059 316 HZ3 TRP 39 HZ3 TRP 39 2.090 0.004 -7.366 317 HH2 TRP 39 HH2 TRP 39 3.938 -0.952 -8.642 318 H ASN 40 H ASN 40 -4.176 2.916 -11.159 319 HA ASN 40 HA ASN 40 -4.643 4.951 -9.207 320 HB2 ASN 40 HB2 ASN 40 -6.520 3.544 -11.148 321 HB3 ASN 40 HB3 ASN 40 -7.076 4.807 -10.056 322 HD21 ASN 40 HD21 ASN 40 -3.924 4.893 -11.646 323 HD22 ASN 40 HD22 ASN 40 -4.321 6.190 -12.685 324 H LYS 41 H LYS 41 -5.763 1.602 -9.555 325 HA LYS 41 HA LYS 41 -7.330 1.396 -7.227 326 HB2 LYS 41 HB2 LYS 41 -5.618 -0.761 -8.528 327 HB3 LYS 41 HB3 LYS 41 -6.835 -1.063 -7.289 328 HG2 LYS 41 HG2 LYS 41 -8.576 -0.157 -8.864 329 HG3 LYS 41 HG3 LYS 41 -7.322 -0.018 -10.103 330 HD2 LYS 41 HD2 LYS 41 -8.575 -2.097 -10.430 331 HD3 LYS 41 HD3 LYS 41 -6.918 -2.474 -9.944 332 HE2 LYS 41 HE2 LYS 41 -7.778 -2.737 -7.567 333 HE3 LYS 41 HE3 LYS 41 -9.418 -2.583 -8.207 334 HZ1 LYS 41 HZ1 LYS 41 -8.872 -4.866 -7.977 335 HZ2 LYS 41 HZ2 LYS 41 -7.429 -4.685 -8.837 336 HZ3 LYS 41 HZ3 LYS 41 -8.915 -4.517 -9.631 337 H ILE 42 H ILE 42 -3.899 0.528 -7.674 338 HA ILE 42 HA ILE 42 -3.316 -0.228 -5.030 339 HB ILE 42 HB ILE 42 -1.456 0.806 -7.218 340 HG12 ILE 42 HG12 ILE 42 -2.056 -2.074 -6.389 341 HG13 ILE 42 HG13 ILE 42 -2.856 -1.261 -7.728 342 HG21 ILE 42 HG21 ILE 42 -0.699 -0.695 -4.675 343 HG22 ILE 42 HG22 ILE 42 -0.302 0.984 -5.046 344 HG23 ILE 42 HG23 ILE 42 0.400 -0.318 -6.006 345 HD11 ILE 42 HD11 ILE 42 -0.718 -1.054 -8.882 346 HD12 ILE 42 HD12 ILE 42 -1.101 -2.732 -8.498 347 HD13 ILE 42 HD13 ILE 42 0.089 -1.859 -7.533 348 H TYR 43 H TYR 43 -2.943 2.942 -6.634 349 HA TYR 43 HA TYR 43 -1.540 4.277 -4.581 350 HB2 TYR 43 HB2 TYR 43 -1.592 5.147 -6.874 351 HB3 TYR 43 HB3 TYR 43 -3.325 5.432 -6.762 352 HD1 TYR 43 HD2 TYR 43 -0.103 6.410 -5.063 353 HD2 TYR 43 HD1 TYR 43 -4.062 7.609 -6.154 354 HE1 TYR 43 HE2 TYR 43 0.329 8.664 -4.189 355 HE2 TYR 43 HE1 TYR 43 -3.615 9.863 -5.283 356 HH TYR 43 HH TYR 43 -0.563 11.000 -4.646 357 H ARG 44 H ARG 44 -5.051 4.216 -5.326 358 HA ARG 44 HA ARG 44 -5.784 5.987 -3.187 359 HB2 ARG 44 HB2 ARG 44 -7.537 4.112 -4.813 360 HB3 ARG 44 HB3 ARG 44 -8.123 5.401 -3.761 361 HG2 ARG 44 HG2 ARG 44 -6.932 7.066 -5.204 362 HG3 ARG 44 HG3 ARG 44 -6.456 5.751 -6.282 363 HD2 ARG 44 HD2 ARG 44 -8.386 6.872 -7.218 364 HD3 ARG 44 HD3 ARG 44 -8.880 5.263 -6.680 365 HE ARG 44 HE ARG 44 -9.299 7.455 -4.807 366 HH11 ARG 44 HH11 ARG 44 -10.760 5.347 -7.126 367 HH12 ARG 44 HH12 ARG 44 -12.360 5.776 -6.637 368 HH21 ARG 44 HH21 ARG 44 -11.333 7.976 -4.212 369 HH22 ARG 44 HH22 ARG 44 -12.676 7.245 -5.018 370 H LEU 45 H LEU 45 -5.456 2.488 -3.394 371 HA LEU 45 HA LEU 45 -6.732 1.926 -0.861 372 HB2 LEU 45 HB2 LEU 45 -4.881 0.235 -2.576 373 HB3 LEU 45 HB3 LEU 45 -5.713 -0.357 -1.147 374 HG LEU 45 HG LEU 45 -7.083 0.630 -3.688 375 HD11 LEU 45 HD11 LEU 45 -5.927 -1.480 -4.091 376 HD12 LEU 45 HD12 LEU 45 -7.673 -1.717 -4.104 377 HD13 LEU 45 HD13 LEU 45 -6.728 -2.214 -2.697 378 HD21 LEU 45 HD21 LEU 45 -8.477 1.037 -1.712 379 HD22 LEU 45 HD22 LEU 45 -8.318 -0.653 -1.226 380 HD23 LEU 45 HD23 LEU 45 -9.168 -0.235 -2.717 381 H VAL 46 H VAL 46 -3.339 2.357 -1.933 382 HA VAL 46 HA VAL 46 -2.132 2.058 0.654 383 HB VAL 46 HB VAL 46 -1.064 3.373 -1.887 384 HG11 VAL 46 HG11 VAL 46 0.094 4.402 0.040 385 HG12 VAL 46 HG12 VAL 46 1.194 3.333 -0.828 386 HG13 VAL 46 HG13 VAL 46 0.469 2.803 0.690 387 HG21 VAL 46 HG21 VAL 46 -0.427 0.682 -0.602 388 HG22 VAL 46 HG22 VAL 46 0.321 1.317 -2.069 389 HG23 VAL 46 HG23 VAL 46 -1.400 0.927 -2.056 390 H HIS 47 H HIS 47 -3.579 4.753 -1.059 391 HA HIS 47 HA HIS 47 -2.915 6.936 0.571 392 HB2 HIS 47 HB2 HIS 47 -4.168 7.151 -1.557 393 HB3 HIS 47 HB3 HIS 47 -5.552 6.330 -0.854 394 HD1 HIS 47 HD1 HIS 47 -6.882 7.710 1.029 395 HD2 HIS 47 HD2 HIS 47 -4.088 9.880 -1.159 396 HE1 HIS 47 HE1 HIS 47 -7.476 10.117 1.376 397 HE2 HIS 47 HE2 HIS 47 -5.854 11.398 -0.043 398 H THR 48 H THR 48 -5.424 4.448 0.902 399 HA THR 48 HA THR 48 -6.520 5.394 3.376 400 HB THR 48 HB THR 48 -6.779 2.650 2.076 401 HG1 THR 48 HG1 THR 48 -8.340 5.032 1.908 402 HG21 THR 48 HG21 THR 48 -8.452 3.962 4.261 403 HG22 THR 48 HG22 THR 48 -7.408 2.547 4.454 404 HG23 THR 48 HG23 THR 48 -8.853 2.443 3.447 405 H MET 49 H MET 49 -4.047 2.898 2.564 406 HA MET 49 HA MET 49 -3.605 1.808 5.135 407 HB2 MET 49 HB2 MET 49 -1.529 2.281 2.946 408 HB3 MET 49 HB3 MET 49 -1.312 1.217 4.334 409 HG2 MET 49 HG2 MET 49 -3.156 -0.192 3.523 410 HG3 MET 49 HG3 MET 49 -3.345 0.878 2.133 411 HE1 MET 49 HE1 MET 49 -1.818 -2.235 0.416 412 HE2 MET 49 HE2 MET 49 -3.171 -1.099 0.491 413 HE3 MET 49 HE3 MET 49 -2.928 -2.271 1.786 414 H LYS 50 H LYS 50 -2.204 4.617 3.564 415 HA LYS 50 HA LYS 50 -0.477 5.597 5.527 416 HB2 LYS 50 HB2 LYS 50 -0.624 6.392 3.163 417 HB3 LYS 50 HB3 LYS 50 -2.182 7.121 3.519 418 HG2 LYS 50 HG2 LYS 50 -1.014 8.597 5.209 419 HG3 LYS 50 HG3 LYS 50 0.518 7.953 4.621 420 HD2 LYS 50 HD2 LYS 50 0.104 10.073 3.507 421 HD3 LYS 50 HD3 LYS 50 -0.079 8.781 2.315 422 HE2 LYS 50 HE2 LYS 50 -1.888 10.393 2.030 423 HE3 LYS 50 HE3 LYS 50 -2.568 8.886 2.645 424 HZ1 LYS 50 HZ1 LYS 50 -3.533 10.670 3.835 425 HZ2 LYS 50 HZ2 LYS 50 -2.035 11.378 4.155 426 HZ3 LYS 50 HZ3 LYS 50 -2.453 9.920 4.901 427 H GLU 51 H GLU 51 -3.909 6.434 4.892 428 HA GLU 51 HA GLU 51 -4.401 8.168 7.029 429 HB2 GLU 51 HB2 GLU 51 -6.305 6.228 5.645 430 HB3 GLU 51 HB3 GLU 51 -6.835 7.478 6.769 431 HG2 GLU 51 HG2 GLU 51 -5.995 9.217 5.264 432 HG3 GLU 51 HG3 GLU 51 -5.396 7.990 4.151 433 H ILE 52 H ILE 52 -4.572 4.629 6.928 434 HA ILE 52 HA ILE 52 -5.799 4.101 9.414 435 HB ILE 52 HB ILE 52 -3.971 2.450 7.620 436 HG12 ILE 52 HG12 ILE 52 -6.947 2.243 8.273 437 HG13 ILE 52 HG13 ILE 52 -6.256 2.860 6.778 438 HG21 ILE 52 HG21 ILE 52 -3.500 1.617 9.873 439 HG22 ILE 52 HG22 ILE 52 -4.438 0.425 8.975 440 HG23 ILE 52 HG23 ILE 52 -5.224 1.431 10.192 441 HD11 ILE 52 HD11 ILE 52 -5.373 0.610 6.291 442 HD12 ILE 52 HD12 ILE 52 -7.127 0.638 6.459 443 HD13 ILE 52 HD13 ILE 52 -6.129 0.012 7.770 444 H THR 53 H THR 53 -2.284 4.014 8.597 445 HA THR 53 HA THR 53 -1.432 3.583 11.278 446 HB THR 53 HB THR 53 0.080 2.908 9.553 447 HG1 THR 53 HG1 THR 53 1.353 5.192 10.597 448 HG21 THR 53 HG21 THR 53 1.222 4.467 8.032 449 HG22 THR 53 HG22 THR 53 0.252 5.799 8.664 450 HG23 THR 53 HG23 THR 53 -0.524 4.492 7.762 451 H GLU 54 H GLU 54 -2.085 6.558 9.478 452 HA GLU 54 HA GLU 54 -0.924 8.341 11.421 453 HB2 GLU 54 HB2 GLU 54 -2.894 8.857 9.170 454 HB3 GLU 54 HB3 GLU 54 -2.195 10.128 10.172 455 HG2 GLU 54 HG2 GLU 54 0.071 9.387 9.408 456 HG3 GLU 54 HG3 GLU 54 -0.709 8.259 8.302 457 H THR 55 H THR 55 -4.166 6.943 10.997 458 HA THR 55 HA THR 55 -5.385 8.465 13.149 459 HB THR 55 HB THR 55 -7.259 6.722 12.989 460 HG1 THR 55 HG1 THR 55 -6.362 5.834 10.541 461 HG21 THR 55 HG21 THR 55 -6.537 8.151 10.405 462 HG22 THR 55 HG22 THR 55 -7.430 8.852 11.757 463 HG23 THR 55 HG23 THR 55 -8.135 7.530 10.827 464 H MET 56 H MET 56 -3.533 5.524 12.890 465 HA MET 56 HA MET 56 -3.994 4.638 15.618 466 HB2 MET 56 HB2 MET 56 -1.978 3.762 13.507 467 HB3 MET 56 HB3 MET 56 -2.098 3.025 15.100 468 HG2 MET 56 HG2 MET 56 -4.417 2.338 14.602 469 HG3 MET 56 HG3 MET 56 -4.269 3.047 12.991 470 HE1 MET 56 HE1 MET 56 -4.212 -0.895 12.428 471 HE2 MET 56 HE2 MET 56 -5.118 0.589 12.128 472 HE3 MET 56 HE3 MET 56 -5.046 -0.089 13.755 473 H GLY 57 H GLY 57 -1.936 6.969 14.114 474 HA2 GLY 57 HA2 GLY 57 -0.738 8.633 15.247 475 HA3 GLY 57 HA3 GLY 57 -0.735 7.648 16.701 476 H PHE 58 H PHE 58 0.284 5.925 13.921 477 HA PHE 58 HA PHE 58 3.109 6.012 14.687 478 HB2 PHE 58 HB2 PHE 58 1.527 4.328 12.717 479 HB3 PHE 58 HB3 PHE 58 3.265 4.198 12.863 480 HD1 PHE 58 HD2 PHE 58 4.266 3.203 14.938 481 HD2 PHE 58 HD1 PHE 58 0.032 3.391 14.367 482 HE1 PHE 58 HE2 PHE 58 3.945 1.537 16.722 483 HE2 PHE 58 HE1 PHE 58 -0.289 1.725 16.146 484 HZ PHE 58 HZ PHE 58 1.671 0.797 17.331 485 H SER 59 H SER 59 3.979 7.960 13.931 486 HA SER 59 HA SER 59 3.595 8.966 11.257 487 HB2 SER 59 HB2 SER 59 5.737 9.647 13.325 488 HB3 SER 59 HB3 SER 59 5.472 10.527 11.816 489 HG SER 59 HG SER 59 4.109 11.641 12.943 490 H SER 60 H SER 60 6.079 7.031 12.881 491 HA SER 60 HA SER 60 8.059 6.989 10.883 492 HB2 SER 60 HB2 SER 60 8.487 6.320 13.222 493 HB3 SER 60 HB3 SER 60 7.459 4.901 13.026 494 HG SER 60 HG SER 60 9.201 3.940 12.384 495 H VAL 61 H VAL 61 5.341 4.719 11.450 496 HA VAL 61 HA VAL 61 5.898 2.992 9.231 497 HB VAL 61 HB VAL 61 3.201 3.448 10.585 498 HG11 VAL 61 HG11 VAL 61 4.159 1.081 8.921 499 HG12 VAL 61 HG12 VAL 61 2.965 2.284 8.427 500 HG13 VAL 61 HG13 VAL 61 2.607 1.184 9.759 501 HG21 VAL 61 HG21 VAL 61 4.884 2.791 12.265 502 HG22 VAL 61 HG22 VAL 61 5.320 1.379 11.297 503 HG23 VAL 61 HG23 VAL 61 3.708 1.499 12.013 504 H ALA 62 H ALA 62 3.898 5.916 9.640 505 HA ALA 62 HA ALA 62 2.536 5.896 7.163 506 HB1 ALA 62 HB1 ALA 62 1.835 7.340 9.016 507 HB2 ALA 62 HB2 ALA 62 2.104 8.290 7.549 508 HB3 ALA 62 HB3 ALA 62 3.304 8.306 8.849 509 H LYS 63 H LYS 63 5.756 7.192 8.016 510 HA LYS 63 HA LYS 63 6.369 8.527 5.615 511 HB2 LYS 63 HB2 LYS 63 8.010 7.390 7.856 512 HB3 LYS 63 HB3 LYS 63 8.866 7.652 6.347 513 HG2 LYS 63 HG2 LYS 63 9.174 9.584 7.748 514 HG3 LYS 63 HG3 LYS 63 8.170 10.039 6.368 515 HD2 LYS 63 HD2 LYS 63 6.144 9.843 7.837 516 HD3 LYS 63 HD3 LYS 63 7.202 9.475 9.201 517 HE2 LYS 63 HE2 LYS 63 7.194 12.065 7.609 518 HE3 LYS 63 HE3 LYS 63 6.517 11.839 9.223 519 HZ1 LYS 63 HZ1 LYS 63 8.700 12.852 9.306 520 HZ2 LYS 63 HZ2 LYS 63 9.375 11.531 8.497 521 HZ3 LYS 63 HZ3 LYS 63 8.717 11.330 10.041 522 H VAL 64 H VAL 64 6.737 5.096 6.473 523 HA VAL 64 HA VAL 64 8.010 4.159 4.148 524 HB VAL 64 HB VAL 64 5.997 2.700 5.924 525 HG11 VAL 64 HG11 VAL 64 7.930 1.507 3.889 526 HG12 VAL 64 HG12 VAL 64 6.168 1.525 3.771 527 HG13 VAL 64 HG13 VAL 64 6.956 0.581 5.035 528 HG21 VAL 64 HG21 VAL 64 7.988 1.729 7.045 529 HG22 VAL 64 HG22 VAL 64 7.968 3.488 7.178 530 HG23 VAL 64 HG23 VAL 64 9.044 2.705 6.018 531 H LEU 65 H LEU 65 4.485 4.233 4.877 532 HA LEU 65 HA LEU 65 3.601 3.357 2.314 533 HB2 LEU 65 HB2 LEU 65 2.179 4.798 4.582 534 HB3 LEU 65 HB3 LEU 65 1.344 4.400 3.094 535 HG LEU 65 HG LEU 65 0.838 2.748 4.825 536 HD11 LEU 65 HD11 LEU 65 1.360 0.690 3.591 537 HD12 LEU 65 HD12 LEU 65 2.585 1.545 2.648 538 HD13 LEU 65 HD13 LEU 65 0.881 1.982 2.490 539 HD21 LEU 65 HD21 LEU 65 2.572 1.216 5.717 540 HD22 LEU 65 HD22 LEU 65 2.822 2.891 6.206 541 HD23 LEU 65 HD23 LEU 65 3.820 2.196 4.925 542 H HIS 66 H HIS 66 4.382 6.507 3.572 543 HA HIS 66 HA HIS 66 3.128 8.139 1.626 544 HB2 HIS 66 HB2 HIS 66 3.995 8.829 3.950 545 HB3 HIS 66 HB3 HIS 66 5.597 8.914 3.239 546 HD1 HIS 66 HD1 HIS 66 6.177 11.108 2.104 547 HD2 HIS 66 HD2 HIS 66 2.102 10.719 2.816 548 HE1 HIS 66 HE1 HIS 66 5.183 13.339 1.534 549 HE2 HIS 66 HE2 HIS 66 2.721 13.083 1.959 550 H THR 67 H THR 67 6.165 6.330 1.625 551 HA THR 67 HA THR 67 7.338 7.727 -0.640 552 HB THR 67 HB THR 67 9.006 5.957 -0.806 553 HG1 THR 67 HG1 THR 67 8.104 4.421 1.305 554 HG21 THR 67 HG21 THR 67 8.436 6.593 2.107 555 HG22 THR 67 HG22 THR 67 9.368 7.591 0.988 556 HG23 THR 67 HG23 THR 67 9.970 6.002 1.466 557 H ILE 68 H ILE 68 5.322 4.785 -0.282 558 HA ILE 68 HA ILE 68 5.355 4.026 -3.041 559 HB ILE 68 HB ILE 68 3.204 3.403 -0.952 560 HG12 ILE 68 HG12 ILE 68 4.245 1.027 -1.132 561 HG13 ILE 68 HG13 ILE 68 5.603 1.796 -1.940 562 HG21 ILE 68 HG21 ILE 68 2.385 1.640 -2.502 563 HG22 ILE 68 HG22 ILE 68 3.523 2.193 -3.733 564 HG23 ILE 68 HG23 ILE 68 2.217 3.253 -3.200 565 HD11 ILE 68 HD11 ILE 68 4.661 2.335 0.867 566 HD12 ILE 68 HD12 ILE 68 6.037 3.107 0.073 567 HD13 ILE 68 HD13 ILE 68 6.057 1.373 0.385 568 H MET 69 H MET 69 3.269 6.178 -1.137 569 HA MET 69 HA MET 69 1.362 6.976 -3.003 570 HB2 MET 69 HB2 MET 69 2.791 8.711 -0.938 571 HB3 MET 69 HB3 MET 69 1.315 9.171 -1.780 572 HG2 MET 69 HG2 MET 69 1.492 6.707 -0.062 573 HG3 MET 69 HG3 MET 69 1.059 8.290 0.576 574 HE1 MET 69 HE1 MET 69 -1.167 9.576 -0.049 575 HE2 MET 69 HE2 MET 69 -2.309 9.022 -1.273 576 HE3 MET 69 HE3 MET 69 -0.697 9.553 -1.751 577 H ASN 70 H ASN 70 4.555 8.476 -2.410 578 HA ASN 70 HA ASN 70 4.593 10.330 -4.523 579 HB2 ASN 70 HB2 ASN 70 6.147 10.453 -2.644 580 HB3 ASN 70 HB3 ASN 70 6.848 8.890 -3.067 581 HD21 ASN 70 HD21 ASN 70 6.478 12.219 -4.224 582 HD22 ASN 70 HD22 ASN 70 7.939 12.240 -5.140 583 H LEU 71 H LEU 71 5.693 7.002 -4.357 584 HA LEU 71 HA LEU 71 7.213 6.808 -6.703 585 HB2 LEU 71 HB2 LEU 71 7.019 5.292 -4.584 586 HB3 LEU 71 HB3 LEU 71 5.683 4.514 -5.407 587 HG LEU 71 HG LEU 71 8.511 4.625 -6.523 588 HD11 LEU 71 HD11 LEU 71 8.552 3.414 -4.383 589 HD12 LEU 71 HD12 LEU 71 8.806 2.307 -5.729 590 HD13 LEU 71 HD13 LEU 71 7.234 2.369 -4.925 591 HD21 LEU 71 HD21 LEU 71 7.762 2.747 -7.949 592 HD22 LEU 71 HD22 LEU 71 6.811 4.201 -8.228 593 HD23 LEU 71 HD23 LEU 71 6.134 2.883 -7.271 594 H VAL 72 H VAL 72 3.927 5.587 -6.102 595 HA VAL 72 HA VAL 72 3.294 4.931 -8.782 596 HB VAL 72 HB VAL 72 1.408 5.303 -6.417 597 HG11 VAL 72 HG11 VAL 72 1.026 3.809 -9.044 598 HG12 VAL 72 HG12 VAL 72 0.177 5.272 -8.533 599 HG13 VAL 72 HG13 VAL 72 -0.095 3.755 -7.677 600 HG21 VAL 72 HG21 VAL 72 1.623 2.851 -6.084 601 HG22 VAL 72 HG22 VAL 72 3.177 3.663 -5.886 602 HG23 VAL 72 HG23 VAL 72 2.829 2.779 -7.374 603 H ASP 73 H ASP 73 2.617 7.827 -6.815 604 HA ASP 73 HA ASP 73 0.723 9.094 -8.492 605 HB2 ASP 73 HB2 ASP 73 1.361 9.735 -6.099 606 HB3 ASP 73 HB3 ASP 73 2.787 10.526 -6.758 607 H LYS 74 H LYS 74 4.262 9.042 -8.559 608 HA LYS 74 HA LYS 74 4.591 10.880 -10.744 609 HB2 LYS 74 HB2 LYS 74 6.440 8.840 -9.484 610 HB3 LYS 74 HB3 LYS 74 6.923 9.845 -10.845 611 HG2 LYS 74 HG2 LYS 74 6.440 11.875 -9.462 612 HG3 LYS 74 HG3 LYS 74 6.130 10.812 -8.082 613 HD2 LYS 74 HD2 LYS 74 8.741 11.097 -9.614 614 HD3 LYS 74 HD3 LYS 74 8.413 11.707 -7.989 615 HE2 LYS 74 HE2 LYS 74 8.162 9.385 -7.167 616 HE3 LYS 74 HE3 LYS 74 8.457 8.769 -8.796 617 HZ1 LYS 74 HZ1 LYS 74 10.662 9.780 -8.702 618 HZ2 LYS 74 HZ2 LYS 74 10.433 8.644 -7.473 619 HZ3 LYS 74 HZ3 LYS 74 10.365 10.292 -7.120 620 H MET 75 H MET 75 4.363 7.328 -10.472 621 HA MET 75 HA MET 75 4.933 6.516 -13.095 622 HB2 MET 75 HB2 MET 75 3.012 5.348 -11.049 623 HB3 MET 75 HB3 MET 75 3.364 4.551 -12.577 624 HG2 MET 75 HG2 MET 75 5.701 4.325 -11.962 625 HG3 MET 75 HG3 MET 75 5.408 5.210 -10.453 626 HE1 MET 75 HE1 MET 75 5.796 1.079 -10.010 627 HE2 MET 75 HE2 MET 75 6.777 2.544 -9.981 628 HE3 MET 75 HE3 MET 75 6.218 1.888 -11.523 629 H LEU 76 H LEU 76 1.924 7.692 -11.707 630 HA LEU 76 HA LEU 76 0.048 7.380 -13.725 631 HB2 LEU 76 HB2 LEU 76 -0.126 8.330 -11.302 632 HB3 LEU 76 HB3 LEU 76 0.342 9.878 -11.997 633 HG LEU 76 HG LEU 76 -2.158 9.508 -11.532 634 HD11 LEU 76 HD11 LEU 76 -1.442 11.328 -12.973 635 HD12 LEU 76 HD12 LEU 76 -2.964 10.641 -13.532 636 HD13 LEU 76 HD13 LEU 76 -1.461 10.257 -14.374 637 HD21 LEU 76 HD21 LEU 76 -2.318 7.181 -12.288 638 HD22 LEU 76 HD22 LEU 76 -2.005 7.681 -13.952 639 HD23 LEU 76 HD23 LEU 76 -3.479 8.205 -13.131 640 H ASN 77 H ASN 77 2.353 10.052 -13.238 641 HA ASN 77 HA ASN 77 1.679 11.638 -15.456 642 HB2 ASN 77 HB2 ASN 77 3.034 12.207 -13.288 643 HB3 ASN 77 HB3 ASN 77 4.402 11.543 -14.123 644 HD21 ASN 77 HD21 ASN 77 2.028 14.065 -14.099 645 HD22 ASN 77 HD22 ASN 77 2.874 15.137 -15.128 646 H SER 78 H SER 78 2.914 12.034 -17.397 647 HA SER 78 HA SER 78 3.874 9.725 -18.802 648 HB2 SER 78 HB2 SER 78 2.673 11.563 -19.946 649 HB3 SER 78 HB3 SER 78 3.983 12.671 -19.571 650 HG SER 78 HG SER 78 4.112 11.844 -21.704 651 H GLU 79 H GLU 79 5.483 11.748 -16.582 652 HA GLU 79 HA GLU 79 8.029 12.023 -17.911 653 HB2 GLU 79 HB2 GLU 79 8.765 13.143 -15.915 654 HB3 GLU 79 HB3 GLU 79 7.091 13.629 -16.184 655 HG2 GLU 79 HG2 GLU 79 6.309 12.147 -14.438 656 HG3 GLU 79 HG3 GLU 79 7.927 11.497 -14.205 657 H ILE 80 H ILE 80 6.552 9.489 -16.125 658 HA ILE 80 HA ILE 80 9.138 8.185 -15.452 659 HB ILE 80 HB ILE 80 6.401 7.871 -14.138 660 HG12 ILE 80 HG12 ILE 80 7.686 10.013 -13.644 661 HG13 ILE 80 HG13 ILE 80 7.246 9.066 -12.258 662 HG21 ILE 80 HG21 ILE 80 7.522 6.429 -12.448 663 HG22 ILE 80 HG22 ILE 80 9.006 6.474 -13.403 664 HG23 ILE 80 HG23 ILE 80 7.557 5.715 -14.064 665 HD11 ILE 80 HD11 ILE 80 9.479 10.013 -12.058 666 HD12 ILE 80 HD12 ILE 80 9.985 9.163 -13.518 667 HD13 ILE 80 HD13 ILE 80 9.546 8.251 -12.071 668 H LYS 81 H LYS 81 9.598 6.475 -16.707 669 HA LYS 81 HA LYS 81 7.527 4.815 -17.960 670 HB2 LYS 81 HB2 LYS 81 10.571 4.487 -17.938 671 HB3 LYS 81 HB3 LYS 81 9.440 3.514 -18.880 672 HG2 LYS 81 HG2 LYS 81 8.763 5.572 -20.126 673 HG3 LYS 81 HG3 LYS 81 9.969 6.488 -19.220 674 HD2 LYS 81 HD2 LYS 81 10.882 5.916 -21.399 675 HD3 LYS 81 HD3 LYS 81 11.754 5.010 -20.161 676 HE2 LYS 81 HE2 LYS 81 10.423 2.994 -20.693 677 HE3 LYS 81 HE3 LYS 81 9.515 3.901 -21.905 678 HZ1 LYS 81 HZ1 LYS 81 11.610 4.255 -23.096 679 HZ2 LYS 81 HZ2 LYS 81 11.212 2.620 -22.950 680 HZ3 LYS 81 HZ3 LYS 81 12.411 3.286 -21.966 681 H ILE 82 H ILE 82 6.767 2.956 -17.054 682 HA ILE 82 HA ILE 82 7.449 2.497 -14.266 683 HB ILE 82 HB ILE 82 5.227 1.282 -15.978 684 HG12 ILE 82 HG12 ILE 82 3.737 2.686 -14.381 685 HG13 ILE 82 HG13 ILE 82 5.207 3.519 -13.897 686 HG21 ILE 82 HG21 ILE 82 4.262 0.427 -13.859 687 HG22 ILE 82 HG22 ILE 82 5.708 0.956 -12.997 688 HG23 ILE 82 HG23 ILE 82 5.825 -0.303 -14.227 689 HD11 ILE 82 HD11 ILE 82 5.488 4.335 -16.174 690 HD12 ILE 82 HD12 ILE 82 3.917 4.780 -15.506 691 HD13 ILE 82 HD13 ILE 82 4.037 3.458 -16.668 692 H THR 83 H THR 83 9.393 1.554 -14.229 693 HA THR 83 HA THR 83 10.208 -0.633 -15.861 694 HB THR 83 HB THR 83 11.472 0.448 -13.293 695 HG1 THR 83 HG1 THR 83 11.680 1.187 -16.012 696 HG21 THR 83 HG21 THR 83 12.733 -1.273 -15.466 697 HG22 THR 83 HG22 THR 83 12.331 -1.819 -13.836 698 HG23 THR 83 HG23 THR 83 13.576 -0.590 -14.072 699 H SER 84 H SER 84 10.114 -2.851 -15.437 700 HA SER 84 HA SER 84 8.244 -3.882 -13.608 701 HB2 SER 84 HB2 SER 84 10.447 -5.375 -15.080 702 HB3 SER 84 HB3 SER 84 9.055 -6.130 -14.296 703 HG SER 84 HG SER 84 8.667 -5.838 -16.510 704 H ASP 85 H ASP 85 11.774 -3.623 -13.306 705 HA ASP 85 HA ASP 85 12.088 -4.989 -10.832 706 HB2 ASP 85 HB2 ASP 85 13.719 -2.739 -12.072 707 HB3 ASP 85 HB3 ASP 85 14.215 -3.639 -10.641 708 H LEU 86 H LEU 86 11.187 -1.641 -11.570 709 HA LEU 86 HA LEU 86 11.323 -0.702 -8.861 710 HB2 LEU 86 HB2 LEU 86 11.477 0.814 -10.853 711 HB3 LEU 86 HB3 LEU 86 9.793 0.470 -11.215 712 HG LEU 86 HG LEU 86 9.230 1.418 -8.892 713 HD11 LEU 86 HD11 LEU 86 10.840 2.976 -7.877 714 HD12 LEU 86 HD12 LEU 86 12.072 2.473 -9.036 715 HD13 LEU 86 HD13 LEU 86 11.431 1.314 -7.868 716 HD21 LEU 86 HD21 LEU 86 10.381 3.320 -10.972 717 HD22 LEU 86 HD22 LEU 86 9.270 3.762 -9.672 718 HD23 LEU 86 HD23 LEU 86 8.741 2.660 -10.941 719 H ILE 87 H ILE 87 8.773 -2.027 -10.918 720 HA ILE 87 HA ILE 87 6.567 -1.840 -9.165 721 HB ILE 87 HB ILE 87 7.142 -4.108 -11.142 722 HG12 ILE 87 HG12 ILE 87 5.629 -1.515 -11.709 723 HG13 ILE 87 HG13 ILE 87 7.280 -1.832 -12.221 724 HG21 ILE 87 HG21 ILE 87 4.481 -3.109 -10.058 725 HG22 ILE 87 HG22 ILE 87 5.275 -4.625 -9.628 726 HG23 ILE 87 HG23 ILE 87 4.686 -4.378 -11.271 727 HD11 ILE 87 HD11 ILE 87 6.474 -3.705 -13.607 728 HD12 ILE 87 HD12 ILE 87 5.750 -2.163 -14.053 729 HD13 ILE 87 HD13 ILE 87 4.818 -3.331 -13.118 730 H ASP 88 H ASP 88 9.335 -4.023 -9.300 731 HA ASP 88 HA ASP 88 8.421 -6.029 -7.474 732 HB2 ASP 88 HB2 ASP 88 10.269 -6.322 -9.172 733 HB3 ASP 88 HB3 ASP 88 11.269 -5.258 -8.200 734 H LYS 89 H LYS 89 10.113 -2.910 -7.128 735 HA LYS 89 HA LYS 89 10.810 -3.124 -4.371 736 HB2 LYS 89 HB2 LYS 89 10.338 -0.754 -6.205 737 HB3 LYS 89 HB3 LYS 89 10.639 -0.512 -4.490 738 HG2 LYS 89 HG2 LYS 89 12.796 -1.739 -4.726 739 HG3 LYS 89 HG3 LYS 89 12.507 -1.853 -6.468 740 HD2 LYS 89 HD2 LYS 89 12.637 0.545 -6.723 741 HD3 LYS 89 HD3 LYS 89 12.625 0.800 -4.976 742 HE2 LYS 89 HE2 LYS 89 14.880 1.105 -5.916 743 HE3 LYS 89 HE3 LYS 89 14.834 -0.252 -4.792 744 HZ1 LYS 89 HZ1 LYS 89 14.737 -0.462 -7.746 745 HZ2 LYS 89 HZ2 LYS 89 14.743 -1.756 -6.658 746 HZ3 LYS 89 HZ3 LYS 89 16.094 -0.751 -6.784 747 H VAL 90 H VAL 90 7.912 -1.872 -6.032 748 HA VAL 90 HA VAL 90 6.437 -0.982 -3.799 749 HB VAL 90 HB VAL 90 5.188 -2.153 -6.335 750 HG11 VAL 90 HG11 VAL 90 3.566 -1.658 -4.540 751 HG12 VAL 90 HG12 VAL 90 3.345 -0.552 -5.894 752 HG13 VAL 90 HG13 VAL 90 4.163 -0.001 -4.432 753 HG21 VAL 90 HG21 VAL 90 6.918 -0.546 -7.017 754 HG22 VAL 90 HG22 VAL 90 6.238 0.679 -5.943 755 HG23 VAL 90 HG23 VAL 90 5.311 0.114 -7.336 756 H LYS 91 H LYS 91 6.599 -4.216 -5.334 757 HA LYS 91 HA LYS 91 4.737 -5.604 -3.752 758 HB2 LYS 91 HB2 LYS 91 7.306 -6.637 -5.039 759 HB3 LYS 91 HB3 LYS 91 6.139 -7.684 -4.221 760 HG2 LYS 91 HG2 LYS 91 4.444 -6.539 -5.938 761 HG3 LYS 91 HG3 LYS 91 5.923 -6.275 -6.865 762 HD2 LYS 91 HD2 LYS 91 4.829 -8.954 -5.901 763 HD3 LYS 91 HD3 LYS 91 4.809 -8.354 -7.560 764 HE2 LYS 91 HE2 LYS 91 7.325 -8.970 -5.961 765 HE3 LYS 91 HE3 LYS 91 6.598 -10.036 -7.167 766 HZ1 LYS 91 HZ1 LYS 91 7.632 -7.312 -7.691 767 HZ2 LYS 91 HZ2 LYS 91 6.976 -8.365 -8.831 768 HZ3 LYS 91 HZ3 LYS 91 8.428 -8.755 -8.066 769 H LYS 92 H LYS 92 8.230 -5.098 -3.174 770 HA LYS 92 HA LYS 92 8.344 -6.643 -0.791 771 HB2 LYS 92 HB2 LYS 92 10.300 -6.318 -2.217 772 HB3 LYS 92 HB3 LYS 92 10.282 -4.593 -1.882 773 HG2 LYS 92 HG2 LYS 92 12.030 -5.690 -0.578 774 HG3 LYS 92 HG3 LYS 92 10.784 -5.021 0.474 775 HD2 LYS 92 HD2 LYS 92 11.443 -7.183 1.350 776 HD3 LYS 92 HD3 LYS 92 9.799 -7.311 0.735 777 HE2 LYS 92 HE2 LYS 92 12.215 -8.185 -0.884 778 HE3 LYS 92 HE3 LYS 92 11.380 -9.264 0.229 779 HZ1 LYS 92 HZ1 LYS 92 10.530 -9.637 -1.925 780 HZ2 LYS 92 HZ2 LYS 92 10.271 -7.995 -2.208 781 HZ3 LYS 92 HZ3 LYS 92 9.322 -8.815 -1.072 782 H LYS 93 H LYS 93 7.831 -3.208 -1.365 783 HA LYS 93 HA LYS 93 7.903 -2.227 1.275 784 HB2 LYS 93 HB2 LYS 93 6.130 -1.346 -1.043 785 HB3 LYS 93 HB3 LYS 93 6.352 -0.436 0.449 786 HG2 LYS 93 HG2 LYS 93 8.497 -1.052 -1.605 787 HG3 LYS 93 HG3 LYS 93 7.684 0.497 -1.380 788 HD2 LYS 93 HD2 LYS 93 8.676 0.648 0.911 789 HD3 LYS 93 HD3 LYS 93 9.515 -0.881 0.632 790 HE2 LYS 93 HE2 LYS 93 10.713 0.182 -1.299 791 HE3 LYS 93 HE3 LYS 93 9.933 1.716 -0.898 792 HZ1 LYS 93 HZ1 LYS 93 11.725 0.180 0.893 793 HZ2 LYS 93 HZ2 LYS 93 11.013 1.675 1.238 794 HZ3 LYS 93 HZ3 LYS 93 12.159 1.549 0.005 795 H LEU 94 H LEU 94 5.210 -3.611 -0.619 796 HA LEU 94 HA LEU 94 3.237 -3.519 1.436 797 HB2 LEU 94 HB2 LEU 94 2.789 -3.593 -1.023 798 HB3 LEU 94 HB3 LEU 94 3.344 -5.249 -1.077 799 HG LEU 94 HG LEU 94 0.815 -4.878 -1.168 800 HD11 LEU 94 HD11 LEU 94 1.748 -6.699 1.060 801 HD12 LEU 94 HD12 LEU 94 1.746 -7.082 -0.661 802 HD13 LEU 94 HD13 LEU 94 0.222 -6.804 0.174 803 HD21 LEU 94 HD21 LEU 94 1.123 -4.215 1.778 804 HD22 LEU 94 HD22 LEU 94 -0.402 -4.469 0.924 805 HD23 LEU 94 HD23 LEU 94 0.624 -3.101 0.501 806 H ASP 95 H ASP 95 5.596 -5.994 0.451 807 HA ASP 95 HA ASP 95 4.866 -8.146 2.109 808 HB2 ASP 95 HB2 ASP 95 7.575 -7.205 1.088 809 HB3 ASP 95 HB3 ASP 95 7.434 -8.650 2.076 810 H MET 96 H MET 96 6.863 -5.310 2.750 811 HA MET 96 HA MET 96 7.596 -5.916 5.431 812 HB2 MET 96 HB2 MET 96 8.964 -4.403 4.217 813 HB3 MET 96 HB3 MET 96 7.601 -3.410 3.738 814 HG2 MET 96 HG2 MET 96 7.463 -2.395 5.887 815 HG3 MET 96 HG3 MET 96 8.519 -3.609 6.609 816 HE1 MET 96 HE1 MET 96 10.156 -0.592 3.489 817 HE2 MET 96 HE2 MET 96 8.432 -0.787 3.801 818 HE3 MET 96 HE3 MET 96 9.345 -2.094 3.044 819 H VAL 97 H VAL 97 4.862 -4.057 4.052 820 HA VAL 97 HA VAL 97 3.643 -3.205 6.474 821 HB VAL 97 HB VAL 97 2.263 -3.914 3.836 822 HG11 VAL 97 HG11 VAL 97 1.238 -2.204 6.143 823 HG12 VAL 97 HG12 VAL 97 0.612 -3.780 5.653 824 HG13 VAL 97 HG13 VAL 97 0.433 -2.390 4.581 825 HG21 VAL 97 HG21 VAL 97 2.406 -1.508 3.285 826 HG22 VAL 97 HG22 VAL 97 4.010 -2.201 3.513 827 HG23 VAL 97 HG23 VAL 97 3.295 -1.209 4.784 828 H THR 98 H THR 98 3.427 -6.226 4.655 829 HA THR 98 HA THR 98 1.381 -7.500 6.207 830 HB THR 98 HB THR 98 3.474 -8.802 4.396 831 HG1 THR 98 HG1 THR 98 1.790 -7.064 3.625 832 HG21 THR 98 HG21 THR 98 1.802 -10.617 4.121 833 HG22 THR 98 HG22 THR 98 0.739 -9.815 5.278 834 HG23 THR 98 HG23 THR 98 2.293 -10.459 5.810 835 H ARG 99 H ARG 99 4.935 -7.538 6.278 836 HA ARG 99 HA ARG 99 5.215 -9.539 8.307 837 HB2 ARG 99 HB2 ARG 99 6.940 -8.703 6.477 838 HB3 ARG 99 HB3 ARG 99 7.398 -7.520 7.693 839 HG2 ARG 99 HG2 ARG 99 7.414 -10.521 8.217 840 HG3 ARG 99 HG3 ARG 99 8.805 -9.660 7.563 841 HD2 ARG 99 HD2 ARG 99 8.976 -8.313 9.578 842 HD3 ARG 99 HD3 ARG 99 7.489 -9.008 10.215 843 HE ARG 99 HE ARG 99 9.346 -11.067 9.745 844 HH11 ARG 99 HH11 ARG 99 8.811 -8.433 11.933 845 HH12 ARG 99 HH12 ARG 99 9.691 -9.186 13.215 846 HH21 ARG 99 HH21 ARG 99 10.436 -12.006 11.406 847 HH22 ARG 99 HH22 ARG 99 10.579 -11.195 12.923 848 H GLU 100 H GLU 100 4.818 -6.038 8.351 849 HA GLU 100 HA GLU 100 5.503 -5.424 11.005 850 HB2 GLU 100 HB2 GLU 100 4.489 -3.955 8.911 851 HB3 GLU 100 HB3 GLU 100 3.037 -4.093 9.885 852 HG2 GLU 100 HG2 GLU 100 5.669 -2.804 10.659 853 HG3 GLU 100 HG3 GLU 100 4.122 -2.006 10.393 854 H LEU 101 H LEU 101 2.478 -6.658 9.638 855 HA LEU 101 HA LEU 101 0.930 -6.974 11.967 856 HB2 LEU 101 HB2 LEU 101 0.041 -7.130 9.654 857 HB3 LEU 101 HB3 LEU 101 0.927 -8.625 9.417 858 HG LEU 101 HG LEU 101 -0.473 -9.638 11.305 859 HD11 LEU 101 HD11 LEU 101 -1.233 -7.574 12.378 860 HD12 LEU 101 HD12 LEU 101 -2.600 -8.568 11.886 861 HD13 LEU 101 HD13 LEU 101 -2.163 -7.143 10.939 862 HD21 LEU 101 HD21 LEU 101 -1.957 -8.750 8.812 863 HD22 LEU 101 HD22 LEU 101 -2.410 -10.090 9.868 864 HD23 LEU 101 HD23 LEU 101 -0.905 -10.164 8.953 865 H ASP 102 H ASP 102 3.100 -9.283 10.314 866 HA ASP 102 HA ASP 102 2.866 -11.527 11.945 867 HB2 ASP 102 HB2 ASP 102 4.051 -11.557 9.799 868 HB3 ASP 102 HB3 ASP 102 5.287 -10.472 10.419 869 H LYS 103 H LYS 103 4.945 -8.675 12.400 870 HA LYS 103 HA LYS 103 6.335 -9.542 14.725 871 HB2 LYS 103 HB2 LYS 103 7.231 -7.722 13.390 872 HB3 LYS 103 HB3 LYS 103 5.770 -6.765 13.617 873 HG2 LYS 103 HG2 LYS 103 6.284 -6.585 16.048 874 HG3 LYS 103 HG3 LYS 103 7.771 -7.499 15.791 875 HD2 LYS 103 HD2 LYS 103 7.138 -4.821 14.484 876 HD3 LYS 103 HD3 LYS 103 8.090 -5.011 15.959 877 HE2 LYS 103 HE2 LYS 103 9.727 -6.401 14.667 878 HE3 LYS 103 HE3 LYS 103 8.800 -6.069 13.201 879 HZ1 LYS 103 HZ1 LYS 103 9.214 -3.696 13.562 880 HZ2 LYS 103 HZ2 LYS 103 10.651 -4.573 13.387 881 HZ3 LYS 103 HZ3 LYS 103 10.156 -4.067 14.920 882 H LYS 104 H LYS 104 3.440 -7.441 14.345 883 HA LYS 104 HA LYS 104 3.297 -6.830 17.132 884 HB2 LYS 104 HB2 LYS 104 1.420 -5.464 16.613 885 HB3 LYS 104 HB3 LYS 104 2.629 -5.279 15.353 886 HG2 LYS 104 HG2 LYS 104 1.130 -7.144 14.150 887 HG3 LYS 104 HG3 LYS 104 -0.114 -6.486 15.218 888 HD2 LYS 104 HD2 LYS 104 1.567 -4.922 13.241 889 HD3 LYS 104 HD3 LYS 104 -0.116 -5.398 12.986 890 HE2 LYS 104 HE2 LYS 104 -0.287 -3.146 13.624 891 HE3 LYS 104 HE3 LYS 104 -0.569 -3.981 15.148 892 HZ1 LYS 104 HZ1 LYS 104 1.660 -3.515 15.830 893 HZ2 LYS 104 HZ2 LYS 104 0.983 -2.070 15.285 894 HZ3 LYS 104 HZ3 LYS 104 2.069 -2.913 14.305 895 H VAL 105 H VAL 105 1.944 -9.401 15.247 896 HA VAL 105 HA VAL 105 -0.055 -10.168 17.243 897 HB VAL 105 HB VAL 105 0.829 -11.604 14.694 898 HG11 VAL 105 HG11 VAL 105 -0.089 -13.225 16.316 899 HG12 VAL 105 HG12 VAL 105 -1.211 -13.002 14.973 900 HG13 VAL 105 HG13 VAL 105 -1.530 -12.225 16.526 901 HG21 VAL 105 HG21 VAL 105 -1.326 -10.797 13.748 902 HG22 VAL 105 HG22 VAL 105 -0.287 -9.451 14.221 903 HG23 VAL 105 HG23 VAL 105 -1.650 -9.913 15.243 904 H SER 106 H SER 106 3.200 -11.219 16.191 905 HA SER 106 HA SER 106 3.338 -13.604 17.751 906 HB2 SER 106 HB2 SER 106 5.790 -13.517 17.356 907 HB3 SER 106 HB3 SER 106 4.881 -13.233 15.872 908 HG SER 106 HG SER 106 5.874 -11.407 15.717 909 H GLY 107 H GLY 107 4.020 -10.225 18.534 910 HA2 GLY 107 HA2 GLY 107 4.788 -10.795 21.304 911 HA3 GLY 107 HA3 GLY 107 4.507 -9.214 20.586 912 H SER 108 H SER 108 3.295 -11.260 22.863 913 HA SER 108 HA SER 108 0.473 -11.227 22.350 914 HB2 SER 108 HB2 SER 108 1.983 -11.788 24.936 915 HB3 SER 108 HB3 SER 108 0.249 -12.037 24.718 916 HG SER 108 HG SER 108 1.571 -13.931 24.391 917 H TYR 109 H TYR 109 -0.247 -9.116 22.022 918 HA TYR 109 HA TYR 109 -1.159 -7.812 24.435 919 HB2 TYR 109 HB2 TYR 109 -0.234 -5.613 24.116 920 HB3 TYR 109 HB3 TYR 109 1.124 -6.718 24.003 921 HD1 TYR 109 HD2 TYR 109 2.068 -7.274 21.668 922 HD2 TYR 109 HD1 TYR 109 -0.777 -4.140 22.292 923 HE1 TYR 109 HE2 TYR 109 2.641 -6.305 19.478 924 HE2 TYR 109 HE1 TYR 109 -0.201 -3.185 20.109 925 HH TYR 109 HH TYR 109 1.636 -3.181 18.535 926 H LEU 110 H LEU 110 -2.754 -6.073 23.943 927 HA LEU 110 HA LEU 110 -4.742 -5.434 23.049 928 HB2 LEU 110 HB2 LEU 110 -2.993 -4.213 21.645 929 HB3 LEU 110 HB3 LEU 110 -3.233 -5.433 20.408 930 HG LEU 110 HG LEU 110 -5.628 -4.710 20.186 931 HD11 LEU 110 HD11 LEU 110 -6.404 -2.625 21.215 932 HD12 LEU 110 HD12 LEU 110 -4.899 -2.500 22.127 933 HD13 LEU 110 HD13 LEU 110 -6.010 -3.839 22.432 934 HD21 LEU 110 HD21 LEU 110 -3.616 -2.470 19.765 935 HD22 LEU 110 HD22 LEU 110 -5.200 -2.598 18.994 936 HD23 LEU 110 HD23 LEU 110 -3.954 -3.795 18.646 937 H VAL 111 H VAL 111 -4.571 -8.195 23.374 938 HA VAL 111 HA VAL 111 -5.314 -9.781 21.179 939 HB VAL 111 HB VAL 111 -6.087 -11.469 22.897 940 HG11 VAL 111 HG11 VAL 111 -3.359 -10.207 23.417 941 HG12 VAL 111 HG12 VAL 111 -3.728 -11.419 22.188 942 HG13 VAL 111 HG13 VAL 111 -3.837 -11.839 23.898 943 HG21 VAL 111 HG21 VAL 111 -6.977 -9.923 24.614 944 HG22 VAL 111 HG22 VAL 111 -5.353 -9.307 24.926 945 HG23 VAL 111 HG23 VAL 111 -5.751 -10.983 25.316 946 HA PRO 112 HA PRO 112 -9.514 -8.416 20.396 947 HB2 PRO 112 HB2 PRO 112 -10.017 -11.099 19.166 948 HB3 PRO 112 HB3 PRO 112 -10.083 -9.490 18.435 949 HG2 PRO 112 HG2 PRO 112 -8.065 -11.155 17.865 950 HG3 PRO 112 HG3 PRO 112 -7.767 -9.413 18.062 951 HD2 PRO 112 HD2 PRO 112 -7.308 -11.649 20.055 952 HD3 PRO 112 HD3 PRO 112 -6.226 -10.308 19.606 953 H ARG 113 H ARG 113 -8.911 -11.132 22.413 954 HA ARG 113 HA ARG 113 -11.540 -10.887 23.661 955 HB2 ARG 113 HB2 ARG 113 -11.851 -13.399 23.715 956 HB3 ARG 113 HB3 ARG 113 -12.000 -12.677 22.127 957 HG2 ARG 113 HG2 ARG 113 -10.747 -14.508 21.537 958 HG3 ARG 113 HG3 ARG 113 -9.424 -13.411 21.929 959 HD2 ARG 113 HD2 ARG 113 -9.331 -14.414 24.213 960 HD3 ARG 113 HD3 ARG 113 -10.579 -15.569 23.734 961 HE ARG 113 HE ARG 113 -8.629 -15.896 21.857 962 HH11 ARG 113 HH11 ARG 113 -8.580 -16.033 25.324 963 HH12 ARG 113 HH12 ARG 113 -7.260 -17.147 25.349 964 HH21 ARG 113 HH21 ARG 113 -6.976 -17.327 21.937 965 HH22 ARG 113 HH22 ARG 113 -6.368 -17.868 23.462 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -15.417 6.092 29.475 2 H2 MET 1 H2 MET 1 -17.040 5.985 29.928 3 H3 MET 1 H3 MET 1 -16.619 6.680 28.444 4 HA MET 1 HA MET 1 -16.215 3.848 29.214 5 HB2 MET 1 HB2 MET 1 -18.160 5.057 27.195 6 HB3 MET 1 HB3 MET 1 -17.983 3.341 27.559 7 HG2 MET 1 HG2 MET 1 -18.994 5.482 29.452 8 HG3 MET 1 HG3 MET 1 -19.964 4.237 28.655 9 HE1 MET 1 HE1 MET 1 -20.888 3.779 31.251 10 HE2 MET 1 HE2 MET 1 -19.714 4.917 31.917 11 HE3 MET 1 HE3 MET 1 -19.812 3.275 32.554 12 H GLY 2 H GLY 2 -15.840 2.513 27.095 13 HA2 GLY 2 HA2 GLY 2 -13.497 3.496 25.731 14 HA3 GLY 2 HA3 GLY 2 -14.313 1.965 25.452 15 H SER 3 H SER 3 -14.606 5.453 24.825 16 HA SER 3 HA SER 3 -16.670 5.294 22.868 17 HB2 SER 3 HB2 SER 3 -14.683 7.561 23.362 18 HB3 SER 3 HB3 SER 3 -16.225 7.694 22.510 19 HG SER 3 HG SER 3 -16.966 8.157 24.432 20 H HIS 4 H HIS 4 -16.425 4.367 20.911 21 HA HIS 4 HA HIS 4 -15.787 4.013 18.766 22 HB2 HIS 4 HB2 HIS 4 -15.466 6.523 18.785 23 HB3 HIS 4 HB3 HIS 4 -13.769 6.266 19.154 24 HD1 HIS 4 HD1 HIS 4 -12.376 6.549 17.151 25 HD2 HIS 4 HD2 HIS 4 -16.111 5.027 16.159 26 HE1 HIS 4 HE1 HIS 4 -12.390 6.401 14.652 27 HE2 HIS 4 HE2 HIS 4 -14.736 5.702 14.071 28 H GLN 5 H GLN 5 -14.471 2.643 21.055 29 HA GLN 5 HA GLN 5 -11.753 2.020 20.546 30 HB2 GLN 5 HB2 GLN 5 -12.943 1.485 22.691 31 HB3 GLN 5 HB3 GLN 5 -13.874 0.253 21.846 32 HG2 GLN 5 HG2 GLN 5 -11.479 -0.739 21.265 33 HG3 GLN 5 HG3 GLN 5 -10.957 0.226 22.640 34 HE21 GLN 5 HE21 GLN 5 -11.750 -0.343 24.732 35 HE22 GLN 5 HE22 GLN 5 -12.411 -1.905 25.043 36 H GLU 6 H GLU 6 -14.753 0.592 19.341 37 HA GLU 6 HA GLU 6 -13.876 -1.864 18.350 38 HB2 GLU 6 HB2 GLU 6 -16.154 -0.118 17.355 39 HB3 GLU 6 HB3 GLU 6 -15.912 -1.800 16.877 40 HG2 GLU 6 HG2 GLU 6 -16.094 -2.414 19.331 41 HG3 GLU 6 HG3 GLU 6 -16.579 -0.743 19.639 42 H TYR 7 H TYR 7 -13.679 1.304 16.846 43 HA TYR 7 HA TYR 7 -13.321 0.679 14.157 44 HB2 TYR 7 HB2 TYR 7 -13.592 2.990 15.063 45 HB3 TYR 7 HB3 TYR 7 -11.960 2.918 15.724 46 HD1 TYR 7 HD1 TYR 7 -13.872 2.782 12.511 47 HD2 TYR 7 HD2 TYR 7 -10.093 3.577 14.346 48 HE1 TYR 7 HE1 TYR 7 -13.011 3.614 10.370 49 HE2 TYR 7 HE2 TYR 7 -9.232 4.416 12.199 50 HH TYR 7 HH TYR 7 -9.749 4.096 9.749 51 H ILE 8 H ILE 8 -10.877 0.904 16.718 52 HA ILE 8 HA ILE 8 -8.549 0.409 15.225 53 HB ILE 8 HB ILE 8 -9.081 -0.269 18.155 54 HG12 ILE 8 HG12 ILE 8 -9.587 2.106 17.729 55 HG13 ILE 8 HG13 ILE 8 -8.106 1.980 18.670 56 HG21 ILE 8 HG21 ILE 8 -7.036 -1.361 17.371 57 HG22 ILE 8 HG22 ILE 8 -6.631 -0.050 18.478 58 HG23 ILE 8 HG23 ILE 8 -6.426 0.170 16.737 59 HD11 ILE 8 HD11 ILE 8 -6.790 2.408 16.641 60 HD12 ILE 8 HD12 ILE 8 -7.933 3.705 16.980 61 HD13 ILE 8 HD13 ILE 8 -8.282 2.540 15.706 62 H LYS 9 H LYS 9 -10.827 -1.809 16.754 63 HA LYS 9 HA LYS 9 -9.341 -4.218 16.503 64 HB2 LYS 9 HB2 LYS 9 -12.360 -3.888 16.728 65 HB3 LYS 9 HB3 LYS 9 -11.443 -5.355 17.068 66 HG2 LYS 9 HG2 LYS 9 -10.296 -4.140 18.943 67 HG3 LYS 9 HG3 LYS 9 -11.340 -2.750 18.632 68 HD2 LYS 9 HD2 LYS 9 -12.221 -4.069 20.504 69 HD3 LYS 9 HD3 LYS 9 -13.336 -4.145 19.137 70 HE2 LYS 9 HE2 LYS 9 -13.073 -6.356 20.202 71 HE3 LYS 9 HE3 LYS 9 -12.469 -6.387 18.546 72 HZ1 LYS 9 HZ1 LYS 9 -10.209 -6.148 19.437 73 HZ2 LYS 9 HZ2 LYS 9 -10.973 -7.539 20.014 74 HZ3 LYS 9 HZ3 LYS 9 -10.822 -6.187 21.016 75 H LYS 10 H LYS 10 -11.994 -2.841 14.493 76 HA LYS 10 HA LYS 10 -12.150 -4.944 12.586 77 HB2 LYS 10 HB2 LYS 10 -13.050 -2.048 12.559 78 HB3 LYS 10 HB3 LYS 10 -13.131 -2.976 11.075 79 HG2 LYS 10 HG2 LYS 10 -15.298 -3.002 12.108 80 HG3 LYS 10 HG3 LYS 10 -14.610 -4.626 12.191 81 HD2 LYS 10 HD2 LYS 10 -14.052 -4.295 14.563 82 HD3 LYS 10 HD3 LYS 10 -14.641 -2.630 14.492 83 HE2 LYS 10 HE2 LYS 10 -16.915 -3.440 14.016 84 HE3 LYS 10 HE3 LYS 10 -16.336 -5.108 14.027 85 HZ1 LYS 10 HZ1 LYS 10 -17.377 -4.562 16.099 86 HZ2 LYS 10 HZ2 LYS 10 -16.358 -3.237 16.329 87 HZ3 LYS 10 HZ3 LYS 10 -15.725 -4.806 16.361 88 H VAL 11 H VAL 11 -10.442 -1.834 12.478 89 HA VAL 11 HA VAL 11 -9.453 -1.938 9.859 90 HB VAL 11 HB VAL 11 -8.533 -0.389 12.312 91 HG11 VAL 11 HG11 VAL 11 -7.271 1.125 10.816 92 HG12 VAL 11 HG12 VAL 11 -7.586 0.044 9.456 93 HG13 VAL 11 HG13 VAL 11 -6.597 -0.505 10.810 94 HG21 VAL 11 HG21 VAL 11 -10.156 0.450 9.873 95 HG22 VAL 11 HG22 VAL 11 -9.704 1.503 11.216 96 HG23 VAL 11 HG23 VAL 11 -10.794 0.145 11.491 97 H THR 12 H THR 12 -8.212 -3.524 12.717 98 HA THR 12 HA THR 12 -5.552 -4.042 11.951 99 HB THR 12 HB THR 12 -7.409 -5.810 13.601 100 HG1 THR 12 HG1 THR 12 -6.945 -3.616 14.381 101 HG21 THR 12 HG21 THR 12 -5.358 -6.814 14.561 102 HG22 THR 12 HG22 THR 12 -4.364 -5.863 13.456 103 HG23 THR 12 HG23 THR 12 -5.441 -7.108 12.822 104 H ASP 13 H ASP 13 -8.498 -6.037 11.315 105 HA ASP 13 HA ASP 13 -7.089 -7.913 9.615 106 HB2 ASP 13 HB2 ASP 13 -10.079 -7.519 10.008 107 HB3 ASP 13 HB3 ASP 13 -9.323 -8.901 9.213 108 H GLU 14 H GLU 14 -9.197 -5.116 9.108 109 HA GLU 14 HA GLU 14 -9.561 -5.268 6.321 110 HB2 GLU 14 HB2 GLU 14 -9.406 -2.765 8.041 111 HB3 GLU 14 HB3 GLU 14 -10.072 -2.840 6.417 112 HG2 GLU 14 HG2 GLU 14 -11.171 -4.250 8.853 113 HG3 GLU 14 HG3 GLU 14 -11.837 -2.798 8.120 114 H LEU 15 H LEU 15 -6.820 -4.209 8.189 115 HA LEU 15 HA LEU 15 -5.232 -2.921 6.302 116 HB2 LEU 15 HB2 LEU 15 -4.705 -3.028 8.676 117 HB3 LEU 15 HB3 LEU 15 -4.479 -4.760 8.602 118 HG LEU 15 HG LEU 15 -2.630 -3.105 6.889 119 HD11 LEU 15 HD11 LEU 15 -1.107 -2.596 8.740 120 HD12 LEU 15 HD12 LEU 15 -2.273 -3.232 9.904 121 HD13 LEU 15 HD13 LEU 15 -2.655 -1.783 8.971 122 HD21 LEU 15 HD21 LEU 15 -2.166 -5.517 8.677 123 HD22 LEU 15 HD22 LEU 15 -0.973 -4.787 7.593 124 HD23 LEU 15 HD23 LEU 15 -2.417 -5.554 6.929 125 H LYS 16 H LYS 16 -5.347 -6.484 6.974 126 HA LYS 16 HA LYS 16 -3.616 -7.188 4.800 127 HB2 LYS 16 HB2 LYS 16 -5.529 -8.871 6.452 128 HB3 LYS 16 HB3 LYS 16 -4.620 -9.560 5.121 129 HG2 LYS 16 HG2 LYS 16 -3.380 -10.126 7.024 130 HG3 LYS 16 HG3 LYS 16 -2.500 -8.771 6.320 131 HD2 LYS 16 HD2 LYS 16 -2.584 -8.497 8.724 132 HD3 LYS 16 HD3 LYS 16 -3.596 -7.254 7.985 133 HE2 LYS 16 HE2 LYS 16 -4.692 -8.219 9.957 134 HE3 LYS 16 HE3 LYS 16 -5.608 -8.581 8.497 135 HZ1 LYS 16 HZ1 LYS 16 -4.762 -10.795 8.492 136 HZ2 LYS 16 HZ2 LYS 16 -5.382 -10.476 10.032 137 HZ3 LYS 16 HZ3 LYS 16 -3.712 -10.471 9.778 138 H GLU 17 H GLU 17 -7.147 -6.985 5.088 139 HA GLU 17 HA GLU 17 -7.957 -7.988 2.603 140 HB2 GLU 17 HB2 GLU 17 -9.475 -7.313 4.472 141 HB3 GLU 17 HB3 GLU 17 -9.132 -5.627 4.098 142 HG2 GLU 17 HG2 GLU 17 -11.288 -6.354 3.193 143 HG3 GLU 17 HG3 GLU 17 -10.192 -5.836 1.920 144 H LEU 18 H LEU 18 -6.768 -4.834 3.481 145 HA LEU 18 HA LEU 18 -7.250 -3.576 0.972 146 HB2 LEU 18 HB2 LEU 18 -6.933 -2.649 3.473 147 HB3 LEU 18 HB3 LEU 18 -5.262 -2.496 2.971 148 HG LEU 18 HG LEU 18 -5.830 -0.887 1.253 149 HD11 LEU 18 HD11 LEU 18 -8.740 -1.487 1.862 150 HD12 LEU 18 HD12 LEU 18 -7.857 -1.928 0.397 151 HD13 LEU 18 HD13 LEU 18 -8.152 -0.229 0.766 152 HD21 LEU 18 HD21 LEU 18 -6.825 0.924 2.573 153 HD22 LEU 18 HD22 LEU 18 -5.686 0.008 3.553 154 HD23 LEU 18 HD23 LEU 18 -7.420 -0.237 3.761 155 H ILE 19 H ILE 19 -4.316 -4.820 2.581 156 HA ILE 19 HA ILE 19 -2.400 -4.349 0.585 157 HB ILE 19 HB ILE 19 -2.551 -6.660 2.585 158 HG12 ILE 19 HG12 ILE 19 -0.976 -4.044 2.757 159 HG13 ILE 19 HG13 ILE 19 -2.468 -4.382 3.627 160 HG21 ILE 19 HG21 ILE 19 -1.004 -7.267 0.772 161 HG22 ILE 19 HG22 ILE 19 -0.118 -6.967 2.264 162 HG23 ILE 19 HG23 ILE 19 -0.128 -5.749 0.986 163 HD11 ILE 19 HD11 ILE 19 -0.561 -4.641 5.084 164 HD12 ILE 19 HD12 ILE 19 0.172 -5.809 3.986 165 HD13 ILE 19 HD13 ILE 19 -1.326 -6.210 4.832 166 H GLN 20 H GLN 20 -4.630 -7.093 1.005 167 HA GLN 20 HA GLN 20 -3.769 -8.783 -1.057 168 HB2 GLN 20 HB2 GLN 20 -5.345 -9.512 0.677 169 HB3 GLN 20 HB3 GLN 20 -6.561 -8.380 0.095 170 HG2 GLN 20 HG2 GLN 20 -6.748 -9.649 -2.008 171 HG3 GLN 20 HG3 GLN 20 -5.509 -10.773 -1.456 172 HE21 GLN 20 HE21 GLN 20 -6.045 -12.308 0.119 173 HE22 GLN 20 HE22 GLN 20 -7.678 -12.649 0.554 174 H ASN 21 H ASN 21 -6.285 -6.231 -1.126 175 HA ASN 21 HA ASN 21 -7.064 -6.511 -3.836 176 HB2 ASN 21 HB2 ASN 21 -7.255 -4.144 -1.936 177 HB3 ASN 21 HB3 ASN 21 -7.928 -4.105 -3.563 178 HD21 ASN 21 HD21 ASN 21 -8.013 -6.916 -1.372 179 HD22 ASN 21 HD22 ASN 21 -9.719 -6.899 -1.166 180 H VAL 22 H VAL 22 -4.406 -4.742 -2.364 181 HA VAL 22 HA VAL 22 -3.554 -3.382 -4.766 182 HB VAL 22 HB VAL 22 -2.130 -3.854 -2.106 183 HG11 VAL 22 HG11 VAL 22 -0.434 -3.535 -3.848 184 HG12 VAL 22 HG12 VAL 22 -0.509 -2.114 -2.808 185 HG13 VAL 22 HG13 VAL 22 -1.250 -2.074 -4.411 186 HG21 VAL 22 HG21 VAL 22 -4.094 -2.394 -1.915 187 HG22 VAL 22 HG22 VAL 22 -3.493 -1.374 -3.225 188 HG23 VAL 22 HG23 VAL 22 -2.615 -1.456 -1.695 189 H ASN 23 H ASN 23 -2.614 -6.413 -3.102 190 HA ASN 23 HA ASN 23 -0.185 -6.889 -4.471 191 HB2 ASN 23 HB2 ASN 23 -2.033 -8.822 -3.014 192 HB3 ASN 23 HB3 ASN 23 -0.482 -9.317 -3.690 193 HD21 ASN 23 HD21 ASN 23 -1.116 -9.561 -1.004 194 HD22 ASN 23 HD22 ASN 23 -0.093 -8.512 -0.093 195 H ASP 24 H ASP 24 -3.404 -8.412 -4.966 196 HA ASP 24 HA ASP 24 -2.791 -9.907 -7.267 197 HB2 ASP 24 HB2 ASP 24 -5.428 -8.710 -6.355 198 HB3 ASP 24 HB3 ASP 24 -5.296 -9.833 -7.709 199 H ASP 25 H ASP 25 -3.606 -6.544 -6.930 200 HA ASP 25 HA ASP 25 -4.118 -5.995 -9.687 201 HB2 ASP 25 HB2 ASP 25 -4.753 -4.693 -7.406 202 HB3 ASP 25 HB3 ASP 25 -3.277 -3.813 -7.777 203 H ILE 26 H ILE 26 -1.284 -5.589 -7.550 204 HA ILE 26 HA ILE 26 0.543 -4.434 -9.365 205 HB ILE 26 HB ILE 26 1.082 -6.232 -6.959 206 HG12 ILE 26 HG12 ILE 26 1.308 -3.193 -7.219 207 HG13 ILE 26 HG13 ILE 26 0.002 -4.047 -6.408 208 HG21 ILE 26 HG21 ILE 26 3.027 -6.355 -8.450 209 HG22 ILE 26 HG22 ILE 26 3.431 -5.438 -7.002 210 HG23 ILE 26 HG23 ILE 26 3.117 -4.594 -8.518 211 HD11 ILE 26 HD11 ILE 26 2.903 -4.025 -5.555 212 HD12 ILE 26 HD12 ILE 26 1.601 -4.901 -4.744 213 HD13 ILE 26 HD13 ILE 26 1.575 -3.140 -4.807 214 H LYS 27 H LYS 27 -0.239 -7.853 -8.682 215 HA LYS 27 HA LYS 27 1.667 -9.215 -10.172 216 HB2 LYS 27 HB2 LYS 27 -1.281 -9.937 -9.919 217 HB3 LYS 27 HB3 LYS 27 -0.010 -11.045 -10.432 218 HG2 LYS 27 HG2 LYS 27 1.028 -10.953 -8.232 219 HG3 LYS 27 HG3 LYS 27 -0.108 -9.708 -7.712 220 HD2 LYS 27 HD2 LYS 27 -1.980 -11.389 -8.090 221 HD3 LYS 27 HD3 LYS 27 -0.737 -12.619 -8.351 222 HE2 LYS 27 HE2 LYS 27 0.084 -12.315 -6.065 223 HE3 LYS 27 HE3 LYS 27 -1.027 -10.967 -5.809 224 HZ1 LYS 27 HZ1 LYS 27 -1.730 -13.820 -6.196 225 HZ2 LYS 27 HZ2 LYS 27 -2.862 -12.571 -6.181 226 HZ3 LYS 27 HZ3 LYS 27 -1.946 -12.888 -4.800 227 H GLU 28 H GLU 28 -1.369 -7.779 -11.300 228 HA GLU 28 HA GLU 28 -0.945 -8.539 -14.048 229 HB2 GLU 28 HB2 GLU 28 -3.039 -6.718 -12.844 230 HB3 GLU 28 HB3 GLU 28 -2.990 -7.235 -14.529 231 HG2 GLU 28 HG2 GLU 28 -3.058 -9.652 -13.575 232 HG3 GLU 28 HG3 GLU 28 -3.553 -8.891 -12.061 233 H VAL 29 H VAL 29 -0.177 -5.595 -12.163 234 HA VAL 29 HA VAL 29 0.506 -4.017 -14.452 235 HB VAL 29 HB VAL 29 1.902 -3.785 -11.751 236 HG11 VAL 29 HG11 VAL 29 2.248 -1.428 -12.481 237 HG12 VAL 29 HG12 VAL 29 1.481 -1.791 -14.018 238 HG13 VAL 29 HG13 VAL 29 3.004 -2.572 -13.583 239 HG21 VAL 29 HG21 VAL 29 0.247 -2.047 -11.147 240 HG22 VAL 29 HG22 VAL 29 -0.524 -3.624 -11.358 241 HG23 VAL 29 HG23 VAL 29 -0.665 -2.399 -12.621 242 H GLU 30 H GLU 30 2.335 -6.451 -12.604 243 HA GLU 30 HA GLU 30 4.851 -6.269 -13.882 244 HB2 GLU 30 HB2 GLU 30 3.426 -8.806 -12.971 245 HB3 GLU 30 HB3 GLU 30 5.164 -8.639 -13.253 246 HG2 GLU 30 HG2 GLU 30 5.306 -6.996 -11.392 247 HG3 GLU 30 HG3 GLU 30 3.581 -7.201 -11.092 248 H LYS 31 H LYS 31 1.857 -7.792 -14.819 249 HA LYS 31 HA LYS 31 2.749 -9.003 -17.256 250 HB2 LYS 31 HB2 LYS 31 0.835 -9.812 -15.853 251 HB3 LYS 31 HB3 LYS 31 -0.056 -8.348 -16.255 252 HG2 LYS 31 HG2 LYS 31 -0.108 -9.015 -18.615 253 HG3 LYS 31 HG3 LYS 31 0.840 -10.453 -18.231 254 HD2 LYS 31 HD2 LYS 31 -1.564 -11.003 -18.471 255 HD3 LYS 31 HD3 LYS 31 -0.988 -11.328 -16.836 256 HE2 LYS 31 HE2 LYS 31 -2.013 -9.192 -16.067 257 HE3 LYS 31 HE3 LYS 31 -2.593 -8.891 -17.707 258 HZ1 LYS 31 HZ1 LYS 31 -4.294 -9.846 -16.255 259 HZ2 LYS 31 HZ2 LYS 31 -3.346 -11.225 -16.035 260 HZ3 LYS 31 HZ3 LYS 31 -3.958 -10.855 -17.570 261 H ASN 32 H ASN 32 1.219 -5.909 -16.384 262 HA ASN 32 HA ASN 32 1.580 -4.818 -19.114 263 HB2 ASN 32 HB2 ASN 32 -0.970 -4.472 -17.473 264 HB3 ASN 32 HB3 ASN 32 -0.644 -3.738 -19.040 265 HD21 ASN 32 HD21 ASN 32 -1.538 -6.632 -17.373 266 HD22 ASN 32 HD22 ASN 32 -1.965 -7.548 -18.773 267 HA PRO 33 HA PRO 33 3.305 -2.041 -15.791 268 HB2 PRO 33 HB2 PRO 33 5.530 -1.439 -17.634 269 HB3 PRO 33 HB3 PRO 33 5.569 -2.294 -16.091 270 HG2 PRO 33 HG2 PRO 33 5.999 -3.562 -18.460 271 HG3 PRO 33 HG3 PRO 33 5.236 -4.372 -17.073 272 HD2 PRO 33 HD2 PRO 33 3.908 -3.110 -19.488 273 HD3 PRO 33 HD3 PRO 33 3.623 -4.709 -18.756 274 H GLU 34 H GLU 34 1.370 -1.074 -18.041 275 HA GLU 34 HA GLU 34 2.169 1.784 -17.862 276 HB2 GLU 34 HB2 GLU 34 1.078 0.370 -20.333 277 HB3 GLU 34 HB3 GLU 34 1.112 2.121 -20.169 278 HG2 GLU 34 HG2 GLU 34 3.604 0.430 -19.964 279 HG3 GLU 34 HG3 GLU 34 2.993 1.030 -21.502 280 H ASP 35 H ASP 35 -0.427 -0.552 -17.596 281 HA ASP 35 HA ASP 35 -2.646 1.177 -17.884 282 HB2 ASP 35 HB2 ASP 35 -2.319 -1.444 -16.392 283 HB3 ASP 35 HB3 ASP 35 -3.845 -0.567 -16.375 284 H MET 36 H MET 36 -2.485 3.092 -16.895 285 HA MET 36 HA MET 36 -1.533 3.503 -14.244 286 HB2 MET 36 HB2 MET 36 -2.883 5.327 -16.255 287 HB3 MET 36 HB3 MET 36 -2.492 5.878 -14.635 288 HG2 MET 36 HG2 MET 36 -0.546 4.824 -16.697 289 HG3 MET 36 HG3 MET 36 -0.704 6.495 -16.127 290 HE1 MET 36 HE1 MET 36 1.172 3.272 -15.723 291 HE2 MET 36 HE2 MET 36 2.327 3.844 -14.515 292 HE3 MET 36 HE3 MET 36 2.107 4.743 -16.019 293 H GLU 37 H GLU 37 -4.750 2.891 -15.514 294 HA GLU 37 HA GLU 37 -6.388 3.713 -13.414 295 HB2 GLU 37 HB2 GLU 37 -7.324 2.792 -15.486 296 HB3 GLU 37 HB3 GLU 37 -6.646 1.211 -15.130 297 HG2 GLU 37 HG2 GLU 37 -9.023 1.184 -14.664 298 HG3 GLU 37 HG3 GLU 37 -8.120 1.019 -13.157 299 H TYR 38 H TYR 38 -4.582 0.660 -13.730 300 HA TYR 38 HA TYR 38 -5.174 -0.587 -11.295 301 HB2 TYR 38 HB2 TYR 38 -2.738 -0.656 -13.108 302 HB3 TYR 38 HB3 TYR 38 -2.735 -1.552 -11.592 303 HD1 TYR 38 HD1 TYR 38 -5.024 -1.089 -14.574 304 HD2 TYR 38 HD2 TYR 38 -3.339 -3.789 -11.728 305 HE1 TYR 38 HE1 TYR 38 -6.195 -2.966 -15.647 306 HE2 TYR 38 HE2 TYR 38 -4.510 -5.651 -12.795 307 HH TYR 38 HH TYR 38 -6.343 -6.110 -14.201 308 H TRP 39 H TRP 39 -2.502 1.622 -12.081 309 HA TRP 39 HA TRP 39 -1.428 1.812 -9.484 310 HB2 TRP 39 HB2 TRP 39 -1.113 3.486 -11.982 311 HB3 TRP 39 HB3 TRP 39 -0.320 3.952 -10.486 312 HD1 TRP 39 HD1 TRP 39 0.735 2.448 -13.472 313 HE1 TRP 39 HE1 TRP 39 2.636 0.757 -13.165 314 HE3 TRP 39 HE3 TRP 39 0.253 1.556 -8.438 315 HZ2 TRP 39 HZ2 TRP 39 3.761 -0.785 -11.079 316 HZ3 TRP 39 HZ3 TRP 39 1.777 -0.053 -7.378 317 HH2 TRP 39 HH2 TRP 39 3.500 -1.202 -8.674 318 H ASN 40 H ASN 40 -4.050 3.614 -10.972 319 HA ASN 40 HA ASN 40 -4.223 5.751 -9.083 320 HB2 ASN 40 HB2 ASN 40 -6.367 4.493 -10.843 321 HB3 ASN 40 HB3 ASN 40 -6.575 5.995 -9.958 322 HD21 ASN 40 HD21 ASN 40 -3.745 6.802 -10.591 323 HD22 ASN 40 HD22 ASN 40 -3.805 7.267 -12.233 324 H LYS 41 H LYS 41 -5.901 2.677 -9.435 325 HA LYS 41 HA LYS 41 -7.476 2.718 -7.098 326 HB2 LYS 41 HB2 LYS 41 -6.396 0.398 -8.745 327 HB3 LYS 41 HB3 LYS 41 -7.528 0.177 -7.417 328 HG2 LYS 41 HG2 LYS 41 -9.058 1.834 -8.665 329 HG3 LYS 41 HG3 LYS 41 -7.973 1.641 -10.036 330 HD2 LYS 41 HD2 LYS 41 -9.544 -0.611 -8.719 331 HD3 LYS 41 HD3 LYS 41 -10.048 0.254 -10.170 332 HE2 LYS 41 HE2 LYS 41 -9.089 -1.754 -10.960 333 HE3 LYS 41 HE3 LYS 41 -7.839 -0.543 -11.225 334 HZ1 LYS 41 HZ1 LYS 41 -6.688 -1.309 -9.294 335 HZ2 LYS 41 HZ2 LYS 41 -7.017 -2.633 -10.284 336 HZ3 LYS 41 HZ3 LYS 41 -7.942 -2.372 -8.896 337 H ILE 42 H ILE 42 -4.334 1.082 -7.611 338 HA ILE 42 HA ILE 42 -3.757 0.242 -5.023 339 HB ILE 42 HB ILE 42 -1.936 1.098 -7.308 340 HG12 ILE 42 HG12 ILE 42 -2.563 -1.689 -6.229 341 HG13 ILE 42 HG13 ILE 42 -3.428 -0.946 -7.574 342 HG21 ILE 42 HG21 ILE 42 -1.028 -0.207 -4.716 343 HG22 ILE 42 HG22 ILE 42 -0.598 1.408 -5.283 344 HG23 ILE 42 HG23 ILE 42 -0.031 -0.013 -6.159 345 HD11 ILE 42 HD11 ILE 42 -1.768 -2.554 -8.344 346 HD12 ILE 42 HD12 ILE 42 -0.482 -1.665 -7.526 347 HD13 ILE 42 HD13 ILE 42 -1.342 -0.928 -8.881 348 H TYR 43 H TYR 43 -3.036 3.418 -6.517 349 HA TYR 43 HA TYR 43 -1.638 4.613 -4.383 350 HB2 TYR 43 HB2 TYR 43 -1.644 5.574 -6.644 351 HB3 TYR 43 HB3 TYR 43 -3.364 5.915 -6.529 352 HD1 TYR 43 HD2 TYR 43 -0.010 6.903 -5.211 353 HD2 TYR 43 HD1 TYR 43 -4.149 7.941 -5.461 354 HE1 TYR 43 HE2 TYR 43 0.489 9.139 -4.312 355 HE2 TYR 43 HE1 TYR 43 -3.648 10.170 -4.566 356 HH TYR 43 HH TYR 43 -1.909 11.255 -3.179 357 H ARG 44 H ARG 44 -5.138 4.551 -5.091 358 HA ARG 44 HA ARG 44 -5.941 6.250 -2.922 359 HB2 ARG 44 HB2 ARG 44 -7.548 4.311 -4.625 360 HB3 ARG 44 HB3 ARG 44 -8.264 5.399 -3.436 361 HG2 ARG 44 HG2 ARG 44 -7.409 7.348 -4.707 362 HG3 ARG 44 HG3 ARG 44 -6.714 6.253 -5.909 363 HD2 ARG 44 HD2 ARG 44 -9.671 6.527 -5.242 364 HD3 ARG 44 HD3 ARG 44 -8.868 7.192 -6.664 365 HE ARG 44 HE ARG 44 -8.436 4.896 -7.390 366 HH11 ARG 44 HH11 ARG 44 -10.907 5.246 -4.990 367 HH12 ARG 44 HH12 ARG 44 -11.711 3.798 -5.471 368 HH21 ARG 44 HH21 ARG 44 -9.480 3.063 -7.961 369 HH22 ARG 44 HH22 ARG 44 -10.907 2.570 -7.121 370 H LEU 45 H LEU 45 -5.551 2.746 -3.231 371 HA LEU 45 HA LEU 45 -6.812 2.061 -0.743 372 HB2 LEU 45 HB2 LEU 45 -4.803 0.483 -2.389 373 HB3 LEU 45 HB3 LEU 45 -5.757 -0.165 -1.060 374 HG LEU 45 HG LEU 45 -6.878 0.870 -3.696 375 HD11 LEU 45 HD11 LEU 45 -7.427 -1.457 -4.198 376 HD12 LEU 45 HD12 LEU 45 -6.633 -1.980 -2.710 377 HD13 LEU 45 HD13 LEU 45 -5.690 -1.229 -4.000 378 HD21 LEU 45 HD21 LEU 45 -8.454 1.271 -1.867 379 HD22 LEU 45 HD22 LEU 45 -8.351 -0.421 -1.378 380 HD23 LEU 45 HD23 LEU 45 -9.048 0.007 -2.942 381 H VAL 46 H VAL 46 -3.410 2.574 -1.719 382 HA VAL 46 HA VAL 46 -2.280 2.164 0.885 383 HB VAL 46 HB VAL 46 -1.081 3.570 -1.542 384 HG11 VAL 46 HG11 VAL 46 0.298 2.588 0.993 385 HG12 VAL 46 HG12 VAL 46 0.094 4.272 0.508 386 HG13 VAL 46 HG13 VAL 46 1.123 3.203 -0.442 387 HG21 VAL 46 HG21 VAL 46 -0.729 0.709 -0.545 388 HG22 VAL 46 HG22 VAL 46 0.122 1.426 -1.916 389 HG23 VAL 46 HG23 VAL 46 -1.626 1.199 -1.985 390 H HIS 47 H HIS 47 -3.568 4.995 -0.792 391 HA HIS 47 HA HIS 47 -2.990 7.050 1.032 392 HB2 HIS 47 HB2 HIS 47 -4.144 8.038 -0.698 393 HB3 HIS 47 HB3 HIS 47 -5.030 6.576 -1.072 394 HD1 HIS 47 HD1 HIS 47 -7.350 6.254 0.084 395 HD2 HIS 47 HD2 HIS 47 -5.553 9.920 0.870 396 HE1 HIS 47 HE1 HIS 47 -9.158 7.692 1.037 397 HE2 HIS 47 HE2 HIS 47 -8.001 9.816 1.705 398 H THR 48 H THR 48 -5.607 4.659 1.041 399 HA THR 48 HA THR 48 -6.834 5.467 3.467 400 HB THR 48 HB THR 48 -6.976 2.750 2.093 401 HG1 THR 48 HG1 THR 48 -9.156 4.195 1.665 402 HG21 THR 48 HG21 THR 48 -8.887 4.052 4.078 403 HG22 THR 48 HG22 THR 48 -7.864 2.646 4.394 404 HG23 THR 48 HG23 THR 48 -9.179 2.536 3.221 405 H MET 49 H MET 49 -4.279 3.080 2.726 406 HA MET 49 HA MET 49 -4.004 1.938 5.323 407 HB2 MET 49 HB2 MET 49 -1.874 2.264 3.172 408 HB3 MET 49 HB3 MET 49 -1.756 1.196 4.569 409 HG2 MET 49 HG2 MET 49 -3.602 -0.139 3.730 410 HG3 MET 49 HG3 MET 49 -3.811 0.974 2.377 411 HE1 MET 49 HE1 MET 49 -2.409 -1.954 0.386 412 HE2 MET 49 HE2 MET 49 -3.641 -0.695 0.511 413 HE3 MET 49 HE3 MET 49 -3.588 -2.002 1.696 414 H LYS 50 H LYS 50 -2.586 4.799 3.814 415 HA LYS 50 HA LYS 50 -0.635 5.378 5.791 416 HB2 LYS 50 HB2 LYS 50 -0.648 6.326 3.457 417 HB3 LYS 50 HB3 LYS 50 -2.002 7.351 3.914 418 HG2 LYS 50 HG2 LYS 50 -0.593 8.468 5.617 419 HG3 LYS 50 HG3 LYS 50 0.764 7.430 5.175 420 HD2 LYS 50 HD2 LYS 50 1.031 9.615 4.122 421 HD3 LYS 50 HD3 LYS 50 0.738 8.395 2.881 422 HE2 LYS 50 HE2 LYS 50 -0.531 10.455 2.425 423 HE3 LYS 50 HE3 LYS 50 -1.622 9.103 2.732 424 HZ1 LYS 50 HZ1 LYS 50 -2.345 11.099 3.862 425 HZ2 LYS 50 HZ2 LYS 50 -0.878 11.210 4.692 426 HZ3 LYS 50 HZ3 LYS 50 -1.924 9.917 4.992 427 H GLU 51 H GLU 51 -3.906 6.744 5.234 428 HA GLU 51 HA GLU 51 -3.968 8.256 7.648 429 HB2 GLU 51 HB2 GLU 51 -6.362 8.569 7.244 430 HB3 GLU 51 HB3 GLU 51 -5.436 8.824 5.769 431 HG2 GLU 51 HG2 GLU 51 -6.082 6.605 4.954 432 HG3 GLU 51 HG3 GLU 51 -6.967 6.298 6.449 433 H ILE 52 H ILE 52 -4.828 4.893 6.955 434 HA ILE 52 HA ILE 52 -6.068 4.148 9.366 435 HB ILE 52 HB ILE 52 -4.488 2.670 7.266 436 HG12 ILE 52 HG12 ILE 52 -7.251 2.150 8.454 437 HG13 ILE 52 HG13 ILE 52 -6.928 3.061 6.984 438 HG21 ILE 52 HG21 ILE 52 -4.617 0.486 8.431 439 HG22 ILE 52 HG22 ILE 52 -5.126 1.316 9.902 440 HG23 ILE 52 HG23 ILE 52 -3.524 1.617 9.231 441 HD11 ILE 52 HD11 ILE 52 -6.083 1.041 5.903 442 HD12 ILE 52 HD12 ILE 52 -7.723 0.810 6.507 443 HD13 ILE 52 HD13 ILE 52 -6.360 0.120 7.385 444 H THR 53 H THR 53 -2.554 4.040 8.569 445 HA THR 53 HA THR 53 -1.792 3.355 11.239 446 HB THR 53 HB THR 53 -0.322 2.645 9.505 447 HG1 THR 53 HG1 THR 53 1.235 2.916 10.817 448 HG21 THR 53 HG21 THR 53 1.036 4.147 8.132 449 HG22 THR 53 HG22 THR 53 0.202 5.543 8.823 450 HG23 THR 53 HG23 THR 53 -0.684 4.391 7.820 451 H GLU 54 H GLU 54 -2.224 6.461 9.608 452 HA GLU 54 HA GLU 54 -0.975 8.127 11.545 453 HB2 GLU 54 HB2 GLU 54 -3.158 8.710 9.515 454 HB3 GLU 54 HB3 GLU 54 -2.518 9.958 10.577 455 HG2 GLU 54 HG2 GLU 54 -0.297 9.688 9.612 456 HG3 GLU 54 HG3 GLU 54 -0.848 8.350 8.614 457 H THR 55 H THR 55 -4.350 6.909 11.299 458 HA THR 55 HA THR 55 -5.262 8.328 13.648 459 HB THR 55 HB THR 55 -6.873 7.678 11.859 460 HG1 THR 55 HG1 THR 55 -8.502 7.252 13.300 461 HG21 THR 55 HG21 THR 55 -6.074 5.410 11.310 462 HG22 THR 55 HG22 THR 55 -7.780 5.384 11.758 463 HG23 THR 55 HG23 THR 55 -6.558 4.841 12.910 464 H MET 56 H MET 56 -3.805 5.172 13.072 465 HA MET 56 HA MET 56 -4.131 4.096 15.707 466 HB2 MET 56 HB2 MET 56 -2.012 3.561 13.574 467 HB3 MET 56 HB3 MET 56 -2.122 2.660 15.083 468 HG2 MET 56 HG2 MET 56 -4.253 2.762 12.938 469 HG3 MET 56 HG3 MET 56 -3.140 1.424 13.247 470 HE1 MET 56 HE1 MET 56 -5.234 -0.257 13.411 471 HE2 MET 56 HE2 MET 56 -6.347 1.082 13.118 472 HE3 MET 56 HE3 MET 56 -6.601 0.008 14.492 473 H GLY 57 H GLY 57 -2.101 6.579 14.418 474 HA2 GLY 57 HA2 GLY 57 -0.867 8.146 15.648 475 HA3 GLY 57 HA3 GLY 57 -0.795 7.045 17.010 476 H PHE 58 H PHE 58 -0.023 5.511 14.073 477 HA PHE 58 HA PHE 58 2.847 5.474 14.677 478 HB2 PHE 58 HB2 PHE 58 1.137 3.856 12.765 479 HB3 PHE 58 HB3 PHE 58 2.861 3.630 12.944 480 HD1 PHE 58 HD2 PHE 58 3.336 3.544 15.799 481 HD2 PHE 58 HD1 PHE 58 0.016 2.006 13.587 482 HE1 PHE 58 HE2 PHE 58 2.930 1.867 17.550 483 HE2 PHE 58 HE1 PHE 58 -0.380 0.331 15.338 484 HZ PHE 58 HZ PHE 58 1.078 0.258 17.323 485 H SER 59 H SER 59 2.940 7.831 13.933 486 HA SER 59 HA SER 59 2.574 8.564 11.207 487 HB2 SER 59 HB2 SER 59 4.308 9.880 13.335 488 HB3 SER 59 HB3 SER 59 3.890 10.611 11.785 489 HG SER 59 HG SER 59 2.454 10.496 14.072 490 H SER 60 H SER 60 5.329 7.178 12.927 491 HA SER 60 HA SER 60 7.327 7.550 10.934 492 HB2 SER 60 HB2 SER 60 7.911 6.937 13.246 493 HB3 SER 60 HB3 SER 60 7.102 5.383 13.066 494 HG SER 60 HG SER 60 9.518 6.285 11.931 495 H VAL 61 H VAL 61 4.925 4.984 11.465 496 HA VAL 61 HA VAL 61 5.761 3.295 9.290 497 HB VAL 61 HB VAL 61 3.052 3.382 10.689 498 HG11 VAL 61 HG11 VAL 61 4.284 1.168 8.997 499 HG12 VAL 61 HG12 VAL 61 2.906 2.180 8.552 500 HG13 VAL 61 HG13 VAL 61 2.768 1.046 9.897 501 HG21 VAL 61 HG21 VAL 61 4.863 2.985 12.319 502 HG22 VAL 61 HG22 VAL 61 5.458 1.631 11.352 503 HG23 VAL 61 HG23 VAL 61 3.865 1.544 12.115 504 H ALA 62 H ALA 62 3.450 5.980 9.633 505 HA ALA 62 HA ALA 62 2.128 5.842 7.158 506 HB1 ALA 62 HB1 ALA 62 1.386 7.365 8.917 507 HB2 ALA 62 HB2 ALA 62 1.669 8.252 7.410 508 HB3 ALA 62 HB3 ALA 62 2.850 8.338 8.723 509 H LYS 63 H LYS 63 5.319 7.182 7.938 510 HA LYS 63 HA LYS 63 5.894 8.345 5.414 511 HB2 LYS 63 HB2 LYS 63 7.794 7.222 7.510 512 HB3 LYS 63 HB3 LYS 63 8.308 8.150 6.102 513 HG2 LYS 63 HG2 LYS 63 6.901 10.065 6.950 514 HG3 LYS 63 HG3 LYS 63 6.604 9.122 8.411 515 HD2 LYS 63 HD2 LYS 63 8.377 10.598 8.980 516 HD3 LYS 63 HD3 LYS 63 9.148 9.037 8.721 517 HE2 LYS 63 HE2 LYS 63 9.058 11.247 6.633 518 HE3 LYS 63 HE3 LYS 63 10.392 11.016 7.756 519 HZ1 LYS 63 HZ1 LYS 63 9.503 9.141 5.635 520 HZ2 LYS 63 HZ2 LYS 63 10.677 8.777 6.789 521 HZ3 LYS 63 HZ3 LYS 63 10.945 10.026 5.687 522 H VAL 64 H VAL 64 6.233 5.012 6.599 523 HA VAL 64 HA VAL 64 7.650 3.916 4.387 524 HB VAL 64 HB VAL 64 5.646 2.513 6.221 525 HG11 VAL 64 HG11 VAL 64 7.780 1.284 4.428 526 HG12 VAL 64 HG12 VAL 64 6.037 1.210 4.159 527 HG13 VAL 64 HG13 VAL 64 6.749 0.400 5.557 528 HG21 VAL 64 HG21 VAL 64 7.615 1.748 7.517 529 HG22 VAL 64 HG22 VAL 64 7.489 3.508 7.516 530 HG23 VAL 64 HG23 VAL 64 8.674 2.709 6.481 531 H LEU 65 H LEU 65 4.136 4.095 5.082 532 HA LEU 65 HA LEU 65 3.257 2.987 2.605 533 HB2 LEU 65 HB2 LEU 65 1.865 4.609 4.756 534 HB3 LEU 65 HB3 LEU 65 1.021 4.179 3.283 535 HG LEU 65 HG LEU 65 0.454 2.621 5.096 536 HD11 LEU 65 HD11 LEU 65 2.127 1.274 2.949 537 HD12 LEU 65 HD12 LEU 65 0.443 1.780 2.791 538 HD13 LEU 65 HD13 LEU 65 0.872 0.509 3.931 539 HD21 LEU 65 HD21 LEU 65 2.122 1.059 6.036 540 HD22 LEU 65 HD22 LEU 65 2.473 2.739 6.441 541 HD23 LEU 65 HD23 LEU 65 3.407 1.929 5.180 542 H HIS 66 H HIS 66 4.048 6.229 3.612 543 HA HIS 66 HA HIS 66 2.992 7.690 1.430 544 HB2 HIS 66 HB2 HIS 66 3.701 8.605 3.688 545 HB3 HIS 66 HB3 HIS 66 5.368 8.473 3.166 546 HD1 HIS 66 HD1 HIS 66 6.164 10.193 1.346 547 HD2 HIS 66 HD2 HIS 66 2.272 10.776 2.677 548 HE1 HIS 66 HE1 HIS 66 5.542 12.495 0.581 549 HE2 HIS 66 HE2 HIS 66 3.174 12.816 1.358 550 H THR 67 H THR 67 5.940 5.755 1.778 551 HA THR 67 HA THR 67 7.415 6.880 -0.411 552 HB THR 67 HB THR 67 8.847 4.936 -0.451 553 HG1 THR 67 HG1 THR 67 7.566 3.401 1.439 554 HG21 THR 67 HG21 THR 67 8.059 5.463 2.431 555 HG22 THR 67 HG22 THR 67 9.210 6.407 1.484 556 HG23 THR 67 HG23 THR 67 9.572 4.728 1.890 557 H ILE 68 H ILE 68 4.764 4.522 -0.320 558 HA ILE 68 HA ILE 68 5.157 3.550 -3.035 559 HB ILE 68 HB ILE 68 2.671 3.332 -1.257 560 HG12 ILE 68 HG12 ILE 68 3.408 0.816 -1.178 561 HG13 ILE 68 HG13 ILE 68 4.985 1.402 -1.693 562 HG21 ILE 68 HG21 ILE 68 1.875 1.591 -2.827 563 HG22 ILE 68 HG22 ILE 68 3.261 1.902 -3.875 564 HG23 ILE 68 HG23 ILE 68 2.049 3.158 -3.618 565 HD11 ILE 68 HD11 ILE 68 3.532 2.191 0.826 566 HD12 ILE 68 HD12 ILE 68 5.130 2.758 0.330 567 HD13 ILE 68 HD13 ILE 68 4.873 1.054 0.696 568 H MET 69 H MET 69 3.241 5.945 -1.344 569 HA MET 69 HA MET 69 1.523 6.769 -3.438 570 HB2 MET 69 HB2 MET 69 2.451 8.498 -1.110 571 HB3 MET 69 HB3 MET 69 0.941 8.618 -2.006 572 HG2 MET 69 HG2 MET 69 0.528 6.181 -1.099 573 HG3 MET 69 HG3 MET 69 1.760 6.610 0.070 574 HE1 MET 69 HE1 MET 69 -2.145 9.036 -0.358 575 HE2 MET 69 HE2 MET 69 -1.684 7.740 -1.457 576 HE3 MET 69 HE3 MET 69 -0.767 9.250 -1.437 577 H ASN 70 H ASN 70 4.640 8.022 -2.290 578 HA ASN 70 HA ASN 70 5.065 10.078 -4.173 579 HB2 ASN 70 HB2 ASN 70 6.441 9.824 -2.128 580 HB3 ASN 70 HB3 ASN 70 7.069 8.288 -2.721 581 HD21 ASN 70 HD21 ASN 70 7.155 11.776 -3.171 582 HD22 ASN 70 HD22 ASN 70 8.620 11.801 -4.079 583 H LEU 71 H LEU 71 6.109 6.683 -4.164 584 HA LEU 71 HA LEU 71 7.641 6.559 -6.476 585 HB2 LEU 71 HB2 LEU 71 7.231 4.896 -4.510 586 HB3 LEU 71 HB3 LEU 71 5.902 4.282 -5.471 587 HG LEU 71 HG LEU 71 8.816 4.283 -6.346 588 HD11 LEU 71 HD11 LEU 71 8.522 2.833 -4.394 589 HD12 LEU 71 HD12 LEU 71 8.803 1.866 -5.839 590 HD13 LEU 71 HD13 LEU 71 7.171 2.007 -5.176 591 HD21 LEU 71 HD21 LEU 71 8.041 2.643 -8.051 592 HD22 LEU 71 HD22 LEU 71 7.333 4.239 -8.262 593 HD23 LEU 71 HD23 LEU 71 6.371 2.942 -7.552 594 H VAL 72 H VAL 72 4.261 5.517 -6.164 595 HA VAL 72 HA VAL 72 3.727 5.032 -8.877 596 HB VAL 72 HB VAL 72 1.754 5.585 -6.621 597 HG11 VAL 72 HG11 VAL 72 1.347 4.220 -9.310 598 HG12 VAL 72 HG12 VAL 72 0.667 5.773 -8.808 599 HG13 VAL 72 HG13 VAL 72 0.145 4.287 -8.013 600 HG21 VAL 72 HG21 VAL 72 1.641 3.120 -6.368 601 HG22 VAL 72 HG22 VAL 72 3.279 3.709 -6.078 602 HG23 VAL 72 HG23 VAL 72 2.882 2.927 -7.611 603 H ASP 73 H ASP 73 3.331 7.979 -6.933 604 HA ASP 73 HA ASP 73 1.808 9.589 -8.635 605 HB2 ASP 73 HB2 ASP 73 2.392 10.327 -6.386 606 HB3 ASP 73 HB3 ASP 73 4.105 10.331 -6.773 607 H LYS 74 H LYS 74 5.291 8.854 -8.750 608 HA LYS 74 HA LYS 74 5.818 10.546 -11.037 609 HB2 LYS 74 HB2 LYS 74 7.514 8.496 -9.568 610 HB3 LYS 74 HB3 LYS 74 8.066 9.236 -11.065 611 HG2 LYS 74 HG2 LYS 74 9.061 10.462 -9.264 612 HG3 LYS 74 HG3 LYS 74 7.823 11.497 -9.981 613 HD2 LYS 74 HD2 LYS 74 6.260 10.756 -8.124 614 HD3 LYS 74 HD3 LYS 74 7.627 9.922 -7.386 615 HE2 LYS 74 HE2 LYS 74 7.332 12.037 -6.273 616 HE3 LYS 74 HE3 LYS 74 8.805 12.143 -7.239 617 HZ1 LYS 74 HZ1 LYS 74 7.468 14.126 -7.451 618 HZ2 LYS 74 HZ2 LYS 74 6.144 13.228 -7.990 619 HZ3 LYS 74 HZ3 LYS 74 7.546 13.323 -8.932 620 H MET 75 H MET 75 5.175 7.086 -10.538 621 HA MET 75 HA MET 75 5.756 5.993 -13.044 622 HB2 MET 75 HB2 MET 75 3.607 5.270 -11.027 623 HB3 MET 75 HB3 MET 75 3.868 4.316 -12.477 624 HG2 MET 75 HG2 MET 75 6.134 3.785 -11.745 625 HG3 MET 75 HG3 MET 75 5.905 4.775 -10.290 626 HE1 MET 75 HE1 MET 75 5.595 0.628 -9.721 627 HE2 MET 75 HE2 MET 75 6.804 1.914 -9.660 628 HE3 MET 75 HE3 MET 75 6.223 1.323 -11.219 629 H LEU 76 H LEU 76 2.872 7.741 -12.004 630 HA LEU 76 HA LEU 76 0.938 7.197 -13.897 631 HB2 LEU 76 HB2 LEU 76 0.796 8.746 -11.845 632 HB3 LEU 76 HB3 LEU 76 1.542 9.995 -12.852 633 HG LEU 76 HG LEU 76 -0.420 9.813 -14.437 634 HD11 LEU 76 HD11 LEU 76 -1.146 7.532 -13.896 635 HD12 LEU 76 HD12 LEU 76 -2.470 8.686 -13.730 636 HD13 LEU 76 HD13 LEU 76 -1.660 8.064 -12.290 637 HD21 LEU 76 HD21 LEU 76 -0.324 11.607 -12.764 638 HD22 LEU 76 HD22 LEU 76 -1.145 10.576 -11.590 639 HD23 LEU 76 HD23 LEU 76 -1.985 11.090 -13.053 640 H ASN 77 H ASN 77 3.668 9.377 -14.185 641 HA ASN 77 HA ASN 77 2.614 10.703 -16.565 642 HB2 ASN 77 HB2 ASN 77 5.175 11.386 -15.044 643 HB3 ASN 77 HB3 ASN 77 4.219 12.406 -16.103 644 HD21 ASN 77 HD21 ASN 77 4.330 10.937 -12.951 645 HD22 ASN 77 HD22 ASN 77 3.108 11.925 -12.233 646 H SER 78 H SER 78 3.750 10.878 -18.501 647 HA SER 78 HA SER 78 5.157 8.544 -19.388 648 HB2 SER 78 HB2 SER 78 4.661 11.188 -20.816 649 HB3 SER 78 HB3 SER 78 5.212 9.701 -21.588 650 HG SER 78 HG SER 78 2.898 9.475 -20.070 651 H GLU 79 H GLU 79 6.338 11.085 -17.641 652 HA GLU 79 HA GLU 79 8.911 11.536 -18.870 653 HB2 GLU 79 HB2 GLU 79 7.689 12.244 -16.163 654 HB3 GLU 79 HB3 GLU 79 9.343 12.669 -16.571 655 HG2 GLU 79 HG2 GLU 79 7.709 14.533 -16.817 656 HG3 GLU 79 HG3 GLU 79 8.627 14.191 -18.285 657 H ILE 80 H ILE 80 7.532 9.198 -16.734 658 HA ILE 80 HA ILE 80 10.179 8.154 -15.864 659 HB ILE 80 HB ILE 80 7.514 8.074 -14.365 660 HG12 ILE 80 HG12 ILE 80 8.583 10.362 -14.456 661 HG13 ILE 80 HG13 ILE 80 8.428 9.730 -12.830 662 HG21 ILE 80 HG21 ILE 80 10.246 7.081 -13.468 663 HG22 ILE 80 HG22 ILE 80 8.843 6.084 -13.860 664 HG23 ILE 80 HG23 ILE 80 8.798 7.152 -12.457 665 HD11 ILE 80 HD11 ILE 80 10.544 10.864 -13.131 666 HD12 ILE 80 HD12 ILE 80 10.961 9.807 -14.477 667 HD13 ILE 80 HD13 ILE 80 10.824 9.148 -12.844 668 H LYS 81 H LYS 81 10.601 6.065 -16.437 669 HA LYS 81 HA LYS 81 8.556 4.404 -17.688 670 HB2 LYS 81 HB2 LYS 81 11.561 4.161 -17.392 671 HB3 LYS 81 HB3 LYS 81 10.619 2.729 -17.778 672 HG2 LYS 81 HG2 LYS 81 11.448 3.621 -19.839 673 HG3 LYS 81 HG3 LYS 81 9.710 3.902 -19.791 674 HD2 LYS 81 HD2 LYS 81 10.816 5.857 -20.710 675 HD3 LYS 81 HD3 LYS 81 10.138 6.276 -19.133 676 HE2 LYS 81 HE2 LYS 81 12.338 6.119 -18.101 677 HE3 LYS 81 HE3 LYS 81 13.046 5.526 -19.605 678 HZ1 LYS 81 HZ1 LYS 81 11.845 8.210 -19.206 679 HZ2 LYS 81 HZ2 LYS 81 12.543 7.641 -20.637 680 HZ3 LYS 81 HZ3 LYS 81 13.499 7.863 -19.260 681 H ILE 82 H ILE 82 7.486 2.794 -16.746 682 HA ILE 82 HA ILE 82 7.814 2.227 -13.919 683 HB ILE 82 HB ILE 82 5.817 1.003 -15.893 684 HG12 ILE 82 HG12 ILE 82 4.152 2.564 -14.544 685 HG13 ILE 82 HG13 ILE 82 5.594 3.486 -14.150 686 HG21 ILE 82 HG21 ILE 82 5.808 0.936 -12.858 687 HG22 ILE 82 HG22 ILE 82 6.109 -0.425 -13.942 688 HG23 ILE 82 HG23 ILE 82 4.517 0.332 -13.902 689 HD11 ILE 82 HD11 ILE 82 5.975 3.897 -16.525 690 HD12 ILE 82 HD12 ILE 82 4.365 4.420 -16.016 691 HD13 ILE 82 HD13 ILE 82 4.555 2.919 -16.919 692 H THR 83 H THR 83 9.841 1.293 -13.885 693 HA THR 83 HA THR 83 10.684 -0.881 -15.485 694 HB THR 83 HB THR 83 11.782 0.101 -12.812 695 HG1 THR 83 HG1 THR 83 12.087 0.936 -15.460 696 HG21 THR 83 HG21 THR 83 12.609 -2.190 -13.292 697 HG22 THR 83 HG22 THR 83 13.905 -1.003 -13.427 698 HG23 THR 83 HG23 THR 83 13.160 -1.654 -14.886 699 H SER 84 H SER 84 10.751 -3.130 -15.060 700 HA SER 84 HA SER 84 8.654 -4.320 -13.660 701 HB2 SER 84 HB2 SER 84 9.813 -6.481 -14.039 702 HB3 SER 84 HB3 SER 84 9.883 -5.463 -15.478 703 HG SER 84 HG SER 84 11.915 -6.400 -13.887 704 H ASP 85 H ASP 85 12.071 -4.058 -12.604 705 HA ASP 85 HA ASP 85 11.669 -5.235 -10.023 706 HB2 ASP 85 HB2 ASP 85 13.917 -3.477 -11.055 707 HB3 ASP 85 HB3 ASP 85 13.949 -4.353 -9.527 708 H LEU 86 H LEU 86 11.169 -2.002 -11.217 709 HA LEU 86 HA LEU 86 11.057 -0.737 -8.634 710 HB2 LEU 86 HB2 LEU 86 11.498 0.526 -10.754 711 HB3 LEU 86 HB3 LEU 86 9.850 0.193 -11.260 712 HG LEU 86 HG LEU 86 9.120 1.390 -9.086 713 HD11 LEU 86 HD11 LEU 86 10.676 3.054 -8.169 714 HD12 LEU 86 HD12 LEU 86 11.971 2.407 -9.178 715 HD13 LEU 86 HD13 LEU 86 11.246 1.404 -7.918 716 HD21 LEU 86 HD21 LEU 86 8.770 2.368 -11.302 717 HD22 LEU 86 HD22 LEU 86 10.415 3.012 -11.313 718 HD23 LEU 86 HD23 LEU 86 9.235 3.621 -10.150 719 H ILE 87 H ILE 87 8.663 -2.219 -10.813 720 HA ILE 87 HA ILE 87 6.318 -1.785 -9.257 721 HB ILE 87 HB ILE 87 6.920 -4.247 -10.967 722 HG12 ILE 87 HG12 ILE 87 5.623 -1.660 -11.929 723 HG13 ILE 87 HG13 ILE 87 7.290 -2.113 -12.254 724 HG21 ILE 87 HG21 ILE 87 4.243 -3.009 -10.235 725 HG22 ILE 87 HG22 ILE 87 4.911 -4.502 -9.571 726 HG23 ILE 87 HG23 ILE 87 4.477 -4.416 -11.278 727 HD11 ILE 87 HD11 ILE 87 5.897 -2.548 -14.174 728 HD12 ILE 87 HD12 ILE 87 4.830 -3.577 -13.221 729 HD13 ILE 87 HD13 ILE 87 6.499 -4.072 -13.523 730 H ASP 88 H ASP 88 8.942 -4.102 -9.182 731 HA ASP 88 HA ASP 88 8.012 -5.904 -7.185 732 HB2 ASP 88 HB2 ASP 88 9.839 -6.345 -8.854 733 HB3 ASP 88 HB3 ASP 88 10.844 -5.182 -8.026 734 H LYS 89 H LYS 89 9.699 -2.783 -7.082 735 HA LYS 89 HA LYS 89 10.432 -2.773 -4.335 736 HB2 LYS 89 HB2 LYS 89 11.312 -1.151 -6.039 737 HB3 LYS 89 HB3 LYS 89 9.728 -0.394 -6.106 738 HG2 LYS 89 HG2 LYS 89 9.908 0.305 -3.765 739 HG3 LYS 89 HG3 LYS 89 11.454 -0.538 -3.611 740 HD2 LYS 89 HD2 LYS 89 12.465 0.985 -5.266 741 HD3 LYS 89 HD3 LYS 89 10.915 1.805 -5.479 742 HE2 LYS 89 HE2 LYS 89 10.978 2.555 -3.141 743 HE3 LYS 89 HE3 LYS 89 12.500 1.698 -2.888 744 HZ1 LYS 89 HZ1 LYS 89 13.523 3.126 -4.545 745 HZ2 LYS 89 HZ2 LYS 89 12.874 4.034 -3.275 746 HZ3 LYS 89 HZ3 LYS 89 12.068 3.956 -4.757 747 H VAL 90 H VAL 90 7.587 -1.414 -6.035 748 HA VAL 90 HA VAL 90 6.006 -0.552 -3.882 749 HB VAL 90 HB VAL 90 4.911 -1.910 -6.399 750 HG11 VAL 90 HG11 VAL 90 3.188 -1.497 -4.710 751 HG12 VAL 90 HG12 VAL 90 2.951 -0.414 -6.080 752 HG13 VAL 90 HG13 VAL 90 3.667 0.199 -4.587 753 HG21 VAL 90 HG21 VAL 90 6.516 -0.226 -7.121 754 HG22 VAL 90 HG22 VAL 90 5.761 0.993 -6.090 755 HG23 VAL 90 HG23 VAL 90 4.878 0.331 -7.469 756 H LYS 91 H LYS 91 6.198 -3.726 -5.428 757 HA LYS 91 HA LYS 91 4.233 -5.152 -4.063 758 HB2 LYS 91 HB2 LYS 91 6.049 -5.735 -6.082 759 HB3 LYS 91 HB3 LYS 91 6.706 -6.698 -4.774 760 HG2 LYS 91 HG2 LYS 91 3.880 -6.898 -5.872 761 HG3 LYS 91 HG3 LYS 91 5.209 -7.977 -6.276 762 HD2 LYS 91 HD2 LYS 91 4.155 -9.270 -4.673 763 HD3 LYS 91 HD3 LYS 91 5.244 -8.366 -3.623 764 HE2 LYS 91 HE2 LYS 91 3.366 -6.761 -3.160 765 HE3 LYS 91 HE3 LYS 91 2.297 -7.789 -4.115 766 HZ1 LYS 91 HZ1 LYS 91 2.148 -8.202 -1.730 767 HZ2 LYS 91 HZ2 LYS 91 3.777 -8.653 -1.697 768 HZ3 LYS 91 HZ3 LYS 91 2.664 -9.575 -2.574 769 H LYS 92 H LYS 92 7.700 -4.858 -3.355 770 HA LYS 92 HA LYS 92 7.827 -6.527 -1.100 771 HB2 LYS 92 HB2 LYS 92 9.781 -5.853 -2.501 772 HB3 LYS 92 HB3 LYS 92 9.655 -4.226 -1.856 773 HG2 LYS 92 HG2 LYS 92 11.425 -5.342 -0.671 774 HG3 LYS 92 HG3 LYS 92 10.053 -5.146 0.431 775 HD2 LYS 92 HD2 LYS 92 9.384 -7.495 0.045 776 HD3 LYS 92 HD3 LYS 92 10.724 -7.696 -1.090 777 HE2 LYS 92 HE2 LYS 92 12.317 -7.235 0.787 778 HE3 LYS 92 HE3 LYS 92 10.941 -7.165 1.893 779 HZ1 LYS 92 HZ1 LYS 92 11.816 -9.507 0.292 780 HZ2 LYS 92 HZ2 LYS 92 10.417 -9.467 1.238 781 HZ3 LYS 92 HZ3 LYS 92 11.936 -9.328 1.968 782 H LYS 93 H LYS 93 7.238 -3.064 -1.415 783 HA LYS 93 HA LYS 93 7.364 -2.286 1.278 784 HB2 LYS 93 HB2 LYS 93 5.622 -1.145 -0.935 785 HB3 LYS 93 HB3 LYS 93 5.892 -0.375 0.622 786 HG2 LYS 93 HG2 LYS 93 7.967 -0.878 -1.525 787 HG3 LYS 93 HG3 LYS 93 7.254 0.675 -1.087 788 HD2 LYS 93 HD2 LYS 93 8.313 0.515 1.154 789 HD3 LYS 93 HD3 LYS 93 9.026 -1.040 0.707 790 HE2 LYS 93 HE2 LYS 93 10.263 0.113 -1.144 791 HE3 LYS 93 HE3 LYS 93 9.611 1.653 -0.575 792 HZ1 LYS 93 HZ1 LYS 93 11.351 -0.181 0.969 793 HZ2 LYS 93 HZ2 LYS 93 10.715 1.278 1.539 794 HZ3 LYS 93 HZ3 LYS 93 11.824 1.283 0.261 795 H LEU 94 H LEU 94 4.546 -3.512 -0.581 796 HA LEU 94 HA LEU 94 2.700 -3.308 1.612 797 HB2 LEU 94 HB2 LEU 94 2.598 -4.626 -1.078 798 HB3 LEU 94 HB3 LEU 94 1.351 -5.006 0.081 799 HG LEU 94 HG LEU 94 0.520 -3.296 -1.400 800 HD11 LEU 94 HD11 LEU 94 1.181 -2.059 1.283 801 HD12 LEU 94 HD12 LEU 94 -0.176 -3.133 0.931 802 HD13 LEU 94 HD13 LEU 94 -0.099 -1.542 0.178 803 HD21 LEU 94 HD21 LEU 94 2.923 -1.599 -0.662 804 HD22 LEU 94 HD22 LEU 94 1.562 -1.090 -1.668 805 HD23 LEU 94 HD23 LEU 94 2.632 -2.378 -2.220 806 H ASP 95 H ASP 95 4.771 -5.920 0.422 807 HA ASP 95 HA ASP 95 4.050 -7.939 2.267 808 HB2 ASP 95 HB2 ASP 95 6.661 -7.267 0.856 809 HB3 ASP 95 HB3 ASP 95 6.527 -8.663 1.912 810 H MET 96 H MET 96 6.208 -5.159 2.523 811 HA MET 96 HA MET 96 7.262 -5.696 5.114 812 HB2 MET 96 HB2 MET 96 8.571 -4.309 3.717 813 HB3 MET 96 HB3 MET 96 7.217 -3.279 3.308 814 HG2 MET 96 HG2 MET 96 7.274 -2.237 5.491 815 HG3 MET 96 HG3 MET 96 8.481 -3.389 6.053 816 HE1 MET 96 HE1 MET 96 8.943 -0.307 6.499 817 HE2 MET 96 HE2 MET 96 10.613 -0.114 5.958 818 HE3 MET 96 HE3 MET 96 10.145 -1.524 6.910 819 H VAL 97 H VAL 97 4.333 -4.008 4.023 820 HA VAL 97 HA VAL 97 3.602 -2.858 6.538 821 HB VAL 97 HB VAL 97 1.622 -3.828 4.426 822 HG11 VAL 97 HG11 VAL 97 1.401 -1.582 6.476 823 HG12 VAL 97 HG12 VAL 97 0.590 -3.147 6.560 824 HG13 VAL 97 HG13 VAL 97 0.173 -2.009 5.280 825 HG21 VAL 97 HG21 VAL 97 3.242 -2.490 3.230 826 HG22 VAL 97 HG22 VAL 97 3.174 -1.211 4.448 827 HG23 VAL 97 HG23 VAL 97 1.772 -1.533 3.419 828 H THR 98 H THR 98 2.964 -5.999 5.023 829 HA THR 98 HA THR 98 1.491 -7.230 7.119 830 HB THR 98 HB THR 98 3.313 -8.572 5.067 831 HG1 THR 98 HG1 THR 98 1.751 -7.458 3.948 832 HG21 THR 98 HG21 THR 98 1.910 -10.582 5.400 833 HG22 THR 98 HG22 THR 98 0.993 -9.746 6.654 834 HG23 THR 98 HG23 THR 98 2.699 -10.117 6.910 835 H ARG 99 H ARG 99 4.998 -7.056 6.435 836 HA ARG 99 HA ARG 99 5.988 -8.652 8.556 837 HB2 ARG 99 HB2 ARG 99 7.242 -6.288 7.107 838 HB3 ARG 99 HB3 ARG 99 8.125 -7.299 8.240 839 HG2 ARG 99 HG2 ARG 99 6.817 -8.554 5.820 840 HG3 ARG 99 HG3 ARG 99 8.344 -7.691 5.649 841 HD2 ARG 99 HD2 ARG 99 8.839 -10.029 5.922 842 HD3 ARG 99 HD3 ARG 99 9.335 -9.200 7.398 843 HE ARG 99 HE ARG 99 6.911 -10.873 7.094 844 HH11 ARG 99 HH11 ARG 99 9.290 -9.479 9.214 845 HH12 ARG 99 HH12 ARG 99 8.837 -10.500 10.527 846 HH21 ARG 99 HH21 ARG 99 6.378 -12.117 8.803 847 HH22 ARG 99 HH22 ARG 99 7.212 -11.948 10.304 848 H GLU 100 H GLU 100 5.032 -5.264 8.422 849 HA GLU 100 HA GLU 100 6.213 -4.339 10.839 850 HB2 GLU 100 HB2 GLU 100 5.243 -3.051 8.734 851 HB3 GLU 100 HB3 GLU 100 3.718 -3.111 9.599 852 HG2 GLU 100 HG2 GLU 100 6.262 -1.842 10.673 853 HG3 GLU 100 HG3 GLU 100 4.996 -0.961 9.825 854 H LEU 101 H LEU 101 2.934 -5.512 10.044 855 HA LEU 101 HA LEU 101 1.872 -5.351 12.708 856 HB2 LEU 101 HB2 LEU 101 0.421 -5.315 10.700 857 HB3 LEU 101 HB3 LEU 101 0.916 -6.953 10.303 858 HG LEU 101 HG LEU 101 -0.188 -7.785 12.390 859 HD11 LEU 101 HD11 LEU 101 -0.014 -5.791 13.787 860 HD12 LEU 101 HD12 LEU 101 -1.685 -6.336 13.682 861 HD13 LEU 101 HD13 LEU 101 -1.158 -4.933 12.748 862 HD21 LEU 101 HD21 LEU 101 -2.035 -6.200 10.576 863 HD22 LEU 101 HD22 LEU 101 -2.511 -7.533 11.633 864 HD23 LEU 101 HD23 LEU 101 -1.425 -7.830 10.278 865 H ASP 102 H ASP 102 3.324 -7.974 10.769 866 HA ASP 102 HA ASP 102 2.843 -10.095 12.612 867 HB2 ASP 102 HB2 ASP 102 3.333 -10.384 10.133 868 HB3 ASP 102 HB3 ASP 102 5.017 -10.021 10.478 869 H LYS 103 H LYS 103 5.398 -7.717 12.350 870 HA LYS 103 HA LYS 103 7.375 -8.778 14.029 871 HB2 LYS 103 HB2 LYS 103 7.555 -6.669 12.667 872 HB3 LYS 103 HB3 LYS 103 6.493 -5.866 13.819 873 HG2 LYS 103 HG2 LYS 103 8.208 -6.282 15.610 874 HG3 LYS 103 HG3 LYS 103 9.272 -6.961 14.374 875 HD2 LYS 103 HD2 LYS 103 9.212 -4.763 13.170 876 HD3 LYS 103 HD3 LYS 103 8.219 -4.105 14.475 877 HE2 LYS 103 HE2 LYS 103 10.101 -4.606 16.071 878 HE3 LYS 103 HE3 LYS 103 11.086 -5.093 14.689 879 HZ1 LYS 103 HZ1 LYS 103 9.915 -2.404 15.134 880 HZ2 LYS 103 HZ2 LYS 103 10.831 -2.863 13.791 881 HZ3 LYS 103 HZ3 LYS 103 11.543 -2.828 15.324 882 H LYS 104 H LYS 104 4.303 -7.229 14.785 883 HA LYS 104 HA LYS 104 4.676 -7.001 17.634 884 HB2 LYS 104 HB2 LYS 104 2.134 -6.810 16.006 885 HB3 LYS 104 HB3 LYS 104 2.344 -6.280 17.679 886 HG2 LYS 104 HG2 LYS 104 4.080 -4.636 16.854 887 HG3 LYS 104 HG3 LYS 104 3.658 -5.108 15.200 888 HD2 LYS 104 HD2 LYS 104 1.290 -4.450 15.718 889 HD3 LYS 104 HD3 LYS 104 1.839 -3.803 17.260 890 HE2 LYS 104 HE2 LYS 104 1.652 -1.974 15.671 891 HE3 LYS 104 HE3 LYS 104 3.365 -2.256 15.993 892 HZ1 LYS 104 HZ1 LYS 104 3.438 -3.583 13.930 893 HZ2 LYS 104 HZ2 LYS 104 3.036 -1.964 13.668 894 HZ3 LYS 104 HZ3 LYS 104 1.832 -3.147 13.621 895 H VAL 105 H VAL 105 3.305 -9.378 15.449 896 HA VAL 105 HA VAL 105 2.027 -10.987 17.514 897 HB VAL 105 HB VAL 105 2.499 -11.639 14.562 898 HG11 VAL 105 HG11 VAL 105 0.703 -13.332 14.849 899 HG12 VAL 105 HG12 VAL 105 0.628 -12.959 16.571 900 HG13 VAL 105 HG13 VAL 105 2.089 -13.675 15.888 901 HG21 VAL 105 HG21 VAL 105 1.111 -9.610 14.801 902 HG22 VAL 105 HG22 VAL 105 0.012 -10.472 15.881 903 HG23 VAL 105 HG23 VAL 105 0.147 -10.957 14.189 904 H SER 106 H SER 106 4.470 -11.867 15.045 905 HA SER 106 HA SER 106 5.808 -13.819 16.671 906 HB2 SER 106 HB2 SER 106 6.719 -12.559 14.048 907 HB3 SER 106 HB3 SER 106 7.353 -14.039 14.763 908 HG SER 106 HG SER 106 5.246 -13.706 13.160 909 H GLY 107 H GLY 107 6.287 -12.455 18.526 910 HA2 GLY 107 HA2 GLY 107 8.389 -10.432 18.311 911 HA3 GLY 107 HA3 GLY 107 7.547 -10.940 19.769 912 H SER 108 H SER 108 9.382 -11.240 21.019 913 HA SER 108 HA SER 108 11.297 -12.119 21.859 914 HB2 SER 108 HB2 SER 108 10.206 -14.651 20.568 915 HB3 SER 108 HB3 SER 108 11.485 -14.615 21.783 916 HG SER 108 HG SER 108 9.809 -14.825 23.068 917 H TYR 109 H TYR 109 12.375 -10.674 20.269 918 HA TYR 109 HA TYR 109 13.926 -10.081 18.740 919 HB2 TYR 109 HB2 TYR 109 14.874 -12.967 19.004 920 HB3 TYR 109 HB3 TYR 109 15.787 -11.678 18.227 921 HD1 TYR 109 HD2 TYR 109 16.846 -9.885 19.594 922 HD2 TYR 109 HD1 TYR 109 14.714 -13.091 21.458 923 HE1 TYR 109 HE2 TYR 109 17.847 -9.296 21.758 924 HE2 TYR 109 HE1 TYR 109 15.716 -12.497 23.624 925 HH TYR 109 HH TYR 109 17.378 -9.565 24.148 926 H LEU 110 H LEU 110 13.675 -13.412 17.525 927 HA LEU 110 HA LEU 110 11.832 -12.799 15.410 928 HB2 LEU 110 HB2 LEU 110 13.525 -13.556 13.579 929 HB3 LEU 110 HB3 LEU 110 13.576 -11.905 14.159 930 HG LEU 110 HG LEU 110 15.547 -12.518 15.616 931 HD11 LEU 110 HD11 LEU 110 15.247 -14.934 15.812 932 HD12 LEU 110 HD12 LEU 110 16.838 -14.539 15.171 933 HD13 LEU 110 HD13 LEU 110 15.575 -15.133 14.089 934 HD21 LEU 110 HD21 LEU 110 15.848 -11.386 13.456 935 HD22 LEU 110 HD22 LEU 110 15.964 -12.949 12.641 936 HD23 LEU 110 HD23 LEU 110 17.193 -12.469 13.813 937 H VAL 111 H VAL 111 11.441 -14.748 13.996 938 HA VAL 111 HA VAL 111 11.178 -17.110 15.658 939 HB VAL 111 HB VAL 111 9.889 -18.055 13.697 940 HG11 VAL 111 HG11 VAL 111 8.718 -16.827 15.475 941 HG12 VAL 111 HG12 VAL 111 7.955 -16.517 13.915 942 HG13 VAL 111 HG13 VAL 111 9.006 -15.296 14.639 943 HG21 VAL 111 HG21 VAL 111 11.061 -16.894 11.849 944 HG22 VAL 111 HG22 VAL 111 10.429 -15.343 12.404 945 HG23 VAL 111 HG23 VAL 111 9.325 -16.572 11.783 946 HA PRO 112 HA PRO 112 14.730 -19.558 14.243 947 HB2 PRO 112 HB2 PRO 112 12.760 -21.844 14.111 948 HB3 PRO 112 HB3 PRO 112 14.339 -21.763 14.910 949 HG2 PRO 112 HG2 PRO 112 12.123 -21.596 16.364 950 HG3 PRO 112 HG3 PRO 112 13.502 -20.539 16.731 951 HD2 PRO 112 HD2 PRO 112 10.938 -19.875 15.284 952 HD3 PRO 112 HD3 PRO 112 11.840 -18.914 16.479 953 H ARG 113 H ARG 113 15.324 -19.013 12.203 954 HA ARG 113 HA ARG 113 14.281 -20.364 9.870 955 HB2 ARG 113 HB2 ARG 113 12.717 -18.361 10.343 956 HB3 ARG 113 HB3 ARG 113 14.068 -17.322 9.933 957 HG2 ARG 113 HG2 ARG 113 13.157 -19.383 7.929 958 HG3 ARG 113 HG3 ARG 113 12.184 -17.934 8.155 959 HD2 ARG 113 HD2 ARG 113 13.569 -17.342 6.360 960 HD3 ARG 113 HD3 ARG 113 14.419 -16.645 7.738 961 HE ARG 113 HE ARG 113 15.328 -19.292 7.058 962 HH11 ARG 113 HH11 ARG 113 15.785 -15.931 6.364 963 HH12 ARG 113 HH12 ARG 113 17.353 -16.179 5.693 964 HH21 ARG 113 HH21 ARG 113 17.327 -19.567 6.209 965 HH22 ARG 113 HH22 ARG 113 18.216 -18.217 5.600 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -15.912 8.338 26.973 2 H2 MET 1 H2 MET 1 -16.419 9.911 26.629 3 H3 MET 1 H3 MET 1 -15.065 9.656 27.609 4 HA MET 1 HA MET 1 -14.402 10.354 25.416 5 HB2 MET 1 HB2 MET 1 -13.768 7.449 26.063 6 HB3 MET 1 HB3 MET 1 -12.879 8.410 24.890 7 HG2 MET 1 HG2 MET 1 -12.217 9.971 26.696 8 HG3 MET 1 HG3 MET 1 -13.057 8.947 27.863 9 HE1 MET 1 HE1 MET 1 -12.345 5.995 26.755 10 HE2 MET 1 HE2 MET 1 -12.269 6.435 28.461 11 HE3 MET 1 HE3 MET 1 -10.892 5.645 27.691 12 H GLY 2 H GLY 2 -13.813 9.034 23.178 13 HA2 GLY 2 HA2 GLY 2 -16.382 8.941 21.805 14 HA3 GLY 2 HA3 GLY 2 -14.792 8.957 21.069 15 H SER 3 H SER 3 -13.843 7.033 20.459 16 HA SER 3 HA SER 3 -15.615 4.710 20.271 17 HB2 SER 3 HB2 SER 3 -14.455 5.561 18.254 18 HB3 SER 3 HB3 SER 3 -12.893 5.223 18.997 19 HG SER 3 HG SER 3 -13.132 3.169 18.570 20 H HIS 4 H HIS 4 -14.499 2.474 20.355 21 HA HIS 4 HA HIS 4 -12.813 2.233 22.789 22 HB2 HIS 4 HB2 HIS 4 -15.021 0.405 21.760 23 HB3 HIS 4 HB3 HIS 4 -13.912 -0.053 23.049 24 HD1 HIS 4 HD1 HIS 4 -17.024 1.826 22.426 25 HD2 HIS 4 HD2 HIS 4 -14.191 1.536 25.449 26 HE1 HIS 4 HE1 HIS 4 -18.077 2.879 24.435 27 HE2 HIS 4 HE2 HIS 4 -16.247 2.931 26.149 28 H GLN 5 H GLN 5 -11.837 -0.102 22.852 29 HA GLN 5 HA GLN 5 -9.689 -0.107 21.034 30 HB2 GLN 5 HB2 GLN 5 -9.003 -2.223 22.202 31 HB3 GLN 5 HB3 GLN 5 -9.371 -0.890 23.288 32 HG2 GLN 5 HG2 GLN 5 -11.585 -1.883 23.771 33 HG3 GLN 5 HG3 GLN 5 -11.223 -3.221 22.680 34 HE21 GLN 5 HE21 GLN 5 -11.831 -3.269 25.559 35 HE22 GLN 5 HE22 GLN 5 -10.492 -4.058 26.312 36 H GLU 6 H GLU 6 -12.694 -1.969 20.954 37 HA GLU 6 HA GLU 6 -11.833 -4.001 19.152 38 HB2 GLU 6 HB2 GLU 6 -14.663 -3.031 19.725 39 HB3 GLU 6 HB3 GLU 6 -14.253 -4.497 18.836 40 HG2 GLU 6 HG2 GLU 6 -13.708 -3.925 21.762 41 HG3 GLU 6 HG3 GLU 6 -14.857 -5.083 21.095 42 H TYR 7 H TYR 7 -13.146 -0.778 18.625 43 HA TYR 7 HA TYR 7 -13.650 -0.889 15.844 44 HB2 TYR 7 HB2 TYR 7 -14.417 0.993 17.183 45 HB3 TYR 7 HB3 TYR 7 -12.770 1.410 17.634 46 HD1 TYR 7 HD1 TYR 7 -15.134 1.309 14.728 47 HD2 TYR 7 HD2 TYR 7 -11.485 2.925 16.267 48 HE1 TYR 7 HE1 TYR 7 -15.023 2.880 12.839 49 HE2 TYR 7 HE2 TYR 7 -11.382 4.492 14.377 50 HH TYR 7 HH TYR 7 -14.017 5.058 12.314 51 H ILE 8 H ILE 8 -10.735 0.086 17.633 52 HA ILE 8 HA ILE 8 -8.992 0.601 15.485 53 HB ILE 8 HB ILE 8 -8.357 -0.370 18.313 54 HG12 ILE 8 HG12 ILE 8 -9.651 1.735 18.335 55 HG13 ILE 8 HG13 ILE 8 -7.999 2.048 18.848 56 HG21 ILE 8 HG21 ILE 8 -6.396 -0.710 16.893 57 HG22 ILE 8 HG22 ILE 8 -6.103 0.620 18.012 58 HG23 ILE 8 HG23 ILE 8 -6.483 0.957 16.321 59 HD11 ILE 8 HD11 ILE 8 -8.816 3.817 17.404 60 HD12 ILE 8 HD12 ILE 8 -9.157 2.659 16.121 61 HD13 ILE 8 HD13 ILE 8 -7.490 2.961 16.618 62 H LYS 9 H LYS 9 -9.632 -2.383 17.294 63 HA LYS 9 HA LYS 9 -7.854 -4.185 16.078 64 HB2 LYS 9 HB2 LYS 9 -9.100 -4.639 18.152 65 HB3 LYS 9 HB3 LYS 9 -10.620 -4.627 17.274 66 HG2 LYS 9 HG2 LYS 9 -9.975 -6.661 16.070 67 HG3 LYS 9 HG3 LYS 9 -8.406 -6.671 16.872 68 HD2 LYS 9 HD2 LYS 9 -11.103 -6.942 18.267 69 HD3 LYS 9 HD3 LYS 9 -10.019 -8.282 17.885 70 HE2 LYS 9 HE2 LYS 9 -8.316 -7.376 19.374 71 HE3 LYS 9 HE3 LYS 9 -9.301 -5.948 19.689 72 HZ1 LYS 9 HZ1 LYS 9 -10.931 -7.305 20.775 73 HZ2 LYS 9 HZ2 LYS 9 -9.415 -7.618 21.460 74 HZ3 LYS 9 HZ3 LYS 9 -10.093 -8.723 20.379 75 H LYS 10 H LYS 10 -11.202 -3.348 15.224 76 HA LYS 10 HA LYS 10 -11.634 -5.035 13.029 77 HB2 LYS 10 HB2 LYS 10 -12.788 -2.318 13.755 78 HB3 LYS 10 HB3 LYS 10 -13.316 -3.178 12.314 79 HG2 LYS 10 HG2 LYS 10 -14.244 -4.972 13.603 80 HG3 LYS 10 HG3 LYS 10 -13.482 -4.398 15.087 81 HD2 LYS 10 HD2 LYS 10 -15.937 -3.899 14.994 82 HD3 LYS 10 HD3 LYS 10 -14.946 -2.451 15.166 83 HE2 LYS 10 HE2 LYS 10 -16.797 -2.118 13.557 84 HE3 LYS 10 HE3 LYS 10 -15.223 -1.948 12.779 85 HZ1 LYS 10 HZ1 LYS 10 -15.442 -4.194 11.933 86 HZ2 LYS 10 HZ2 LYS 10 -16.737 -3.236 11.431 87 HZ3 LYS 10 HZ3 LYS 10 -16.950 -4.359 12.676 88 H VAL 11 H VAL 11 -10.463 -1.648 13.025 89 HA VAL 11 HA VAL 11 -10.130 -1.312 10.253 90 HB VAL 11 HB VAL 11 -8.589 0.085 12.495 91 HG11 VAL 11 HG11 VAL 11 -7.527 0.451 10.301 92 HG12 VAL 11 HG12 VAL 11 -8.266 1.940 10.885 93 HG13 VAL 11 HG13 VAL 11 -9.064 0.993 9.627 94 HG21 VAL 11 HG21 VAL 11 -11.202 0.900 11.148 95 HG22 VAL 11 HG22 VAL 11 -10.323 1.856 12.346 96 HG23 VAL 11 HG23 VAL 11 -11.027 0.306 12.800 97 H THR 12 H THR 12 -7.925 -2.606 12.683 98 HA THR 12 HA THR 12 -5.544 -2.873 11.207 99 HB THR 12 HB THR 12 -6.616 -4.625 13.469 100 HG1 THR 12 HG1 THR 12 -6.300 -2.765 14.446 101 HG21 THR 12 HG21 THR 12 -4.263 -5.240 13.914 102 HG22 THR 12 HG22 THR 12 -3.750 -4.354 12.478 103 HG23 THR 12 HG23 THR 12 -4.766 -5.788 12.315 104 H ASP 13 H ASP 13 -8.284 -5.180 11.557 105 HA ASP 13 HA ASP 13 -7.120 -7.070 9.702 106 HB2 ASP 13 HB2 ASP 13 -9.835 -7.006 11.043 107 HB3 ASP 13 HB3 ASP 13 -9.340 -8.280 9.926 108 H GLU 14 H GLU 14 -9.425 -4.417 9.346 109 HA GLU 14 HA GLU 14 -10.317 -4.981 6.706 110 HB2 GLU 14 HB2 GLU 14 -9.949 -2.313 8.125 111 HB3 GLU 14 HB3 GLU 14 -10.750 -2.492 6.566 112 HG2 GLU 14 HG2 GLU 14 -12.447 -3.975 7.643 113 HG3 GLU 14 HG3 GLU 14 -11.670 -3.693 9.199 114 H LEU 15 H LEU 15 -7.361 -3.547 7.936 115 HA LEU 15 HA LEU 15 -6.063 -2.640 5.644 116 HB2 LEU 15 HB2 LEU 15 -5.152 -2.372 7.906 117 HB3 LEU 15 HB3 LEU 15 -4.963 -4.104 8.060 118 HG LEU 15 HG LEU 15 -3.373 -3.663 5.865 119 HD11 LEU 15 HD11 LEU 15 -1.981 -1.688 6.194 120 HD12 LEU 15 HD12 LEU 15 -3.041 -1.143 7.497 121 HD13 LEU 15 HD13 LEU 15 -3.655 -1.256 5.845 122 HD21 LEU 15 HD21 LEU 15 -2.709 -4.974 7.796 123 HD22 LEU 15 HD22 LEU 15 -2.473 -3.504 8.757 124 HD23 LEU 15 HD23 LEU 15 -1.428 -3.832 7.371 125 H LYS 16 H LYS 16 -6.563 -5.991 6.744 126 HA LYS 16 HA LYS 16 -4.518 -7.206 5.137 127 HB2 LYS 16 HB2 LYS 16 -6.932 -8.719 6.204 128 HB3 LYS 16 HB3 LYS 16 -5.301 -9.314 5.909 129 HG2 LYS 16 HG2 LYS 16 -6.081 -7.375 8.086 130 HG3 LYS 16 HG3 LYS 16 -5.833 -9.109 8.303 131 HD2 LYS 16 HD2 LYS 16 -3.458 -8.866 7.683 132 HD3 LYS 16 HD3 LYS 16 -3.691 -7.137 7.385 133 HE2 LYS 16 HE2 LYS 16 -2.665 -7.635 9.613 134 HE3 LYS 16 HE3 LYS 16 -4.183 -6.743 9.726 135 HZ1 LYS 16 HZ1 LYS 16 -3.942 -9.683 10.055 136 HZ2 LYS 16 HZ2 LYS 16 -5.330 -8.747 10.313 137 HZ3 LYS 16 HZ3 LYS 16 -3.990 -8.576 11.328 138 H GLU 17 H GLU 17 -8.033 -6.872 4.791 139 HA GLU 17 HA GLU 17 -8.492 -8.088 2.308 140 HB2 GLU 17 HB2 GLU 17 -10.174 -7.096 4.010 141 HB3 GLU 17 HB3 GLU 17 -9.843 -5.534 3.278 142 HG2 GLU 17 HG2 GLU 17 -10.962 -7.920 1.762 143 HG3 GLU 17 HG3 GLU 17 -11.960 -6.690 2.522 144 H LEU 18 H LEU 18 -7.372 -4.905 3.146 145 HA LEU 18 HA LEU 18 -7.329 -3.791 0.542 146 HB2 LEU 18 HB2 LEU 18 -7.372 -2.724 2.977 147 HB3 LEU 18 HB3 LEU 18 -5.627 -2.769 2.820 148 HG LEU 18 HG LEU 18 -5.678 -1.257 0.918 149 HD11 LEU 18 HD11 LEU 18 -8.705 -1.483 1.049 150 HD12 LEU 18 HD12 LEU 18 -7.652 -2.130 -0.212 151 HD13 LEU 18 HD13 LEU 18 -7.796 -0.386 -0.002 152 HD21 LEU 18 HD21 LEU 18 -7.561 -0.236 3.084 153 HD22 LEU 18 HD22 LEU 18 -6.647 0.759 1.945 154 HD23 LEU 18 HD23 LEU 18 -5.796 -0.201 3.152 155 H ILE 19 H ILE 19 -4.827 -5.303 2.567 156 HA ILE 19 HA ILE 19 -2.563 -5.016 0.907 157 HB ILE 19 HB ILE 19 -3.347 -7.073 3.022 158 HG12 ILE 19 HG12 ILE 19 -1.214 -4.879 3.040 159 HG13 ILE 19 HG13 ILE 19 -2.791 -4.779 3.815 160 HG21 ILE 19 HG21 ILE 19 -1.899 -8.326 1.503 161 HG22 ILE 19 HG22 ILE 19 -1.044 -8.004 3.009 162 HG23 ILE 19 HG23 ILE 19 -0.677 -7.057 1.569 163 HD11 ILE 19 HD11 ILE 19 -0.583 -6.703 4.556 164 HD12 ILE 19 HD12 ILE 19 -2.157 -6.578 5.348 165 HD13 ILE 19 HD13 ILE 19 -1.020 -5.231 5.421 166 H GLN 20 H GLN 20 -4.954 -7.651 1.128 167 HA GLN 20 HA GLN 20 -3.917 -9.368 -0.852 168 HB2 GLN 20 HB2 GLN 20 -5.559 -10.099 0.824 169 HB3 GLN 20 HB3 GLN 20 -6.769 -9.006 0.163 170 HG2 GLN 20 HG2 GLN 20 -6.804 -10.320 -1.930 171 HG3 GLN 20 HG3 GLN 20 -5.596 -11.417 -1.260 172 HE21 GLN 20 HE21 GLN 20 -7.063 -13.158 -1.542 173 HE22 GLN 20 HE22 GLN 20 -8.403 -13.390 -0.479 174 H ASN 21 H ASN 21 -6.268 -6.705 -1.059 175 HA ASN 21 HA ASN 21 -7.036 -7.082 -3.776 176 HB2 ASN 21 HB2 ASN 21 -8.366 -5.810 -2.046 177 HB3 ASN 21 HB3 ASN 21 -7.181 -4.512 -2.137 178 HD21 ASN 21 HD21 ASN 21 -9.713 -6.202 -3.879 179 HD22 ASN 21 HD22 ASN 21 -9.978 -4.974 -5.060 180 H VAL 22 H VAL 22 -4.775 -4.750 -2.260 181 HA VAL 22 HA VAL 22 -3.796 -3.474 -4.547 182 HB VAL 22 HB VAL 22 -2.514 -3.929 -1.817 183 HG11 VAL 22 HG11 VAL 22 -0.640 -3.644 -3.356 184 HG12 VAL 22 HG12 VAL 22 -0.827 -2.184 -2.390 185 HG13 VAL 22 HG13 VAL 22 -1.388 -2.211 -4.069 186 HG21 VAL 22 HG21 VAL 22 -4.488 -2.461 -1.862 187 HG22 VAL 22 HG22 VAL 22 -3.735 -1.452 -3.098 188 HG23 VAL 22 HG23 VAL 22 -3.036 -1.533 -1.479 189 H ASN 23 H ASN 23 -2.312 -6.257 -2.805 190 HA ASN 23 HA ASN 23 -0.155 -6.719 -4.522 191 HB2 ASN 23 HB2 ASN 23 -1.705 -8.634 -2.741 192 HB3 ASN 23 HB3 ASN 23 -0.270 -9.136 -3.628 193 HD21 ASN 23 HD21 ASN 23 -0.732 -8.978 -0.740 194 HD22 ASN 23 HD22 ASN 23 0.514 -7.959 -0.121 195 H ASP 24 H ASP 24 -3.496 -7.934 -4.755 196 HA ASP 24 HA ASP 24 -3.134 -9.674 -6.973 197 HB2 ASP 24 HB2 ASP 24 -5.109 -9.719 -5.435 198 HB3 ASP 24 HB3 ASP 24 -5.653 -8.184 -6.107 199 H ASP 25 H ASP 25 -3.922 -6.209 -6.759 200 HA ASP 25 HA ASP 25 -4.205 -5.682 -9.541 201 HB2 ASP 25 HB2 ASP 25 -3.499 -3.892 -7.187 202 HB3 ASP 25 HB3 ASP 25 -3.624 -3.255 -8.822 203 H ILE 26 H ILE 26 -1.381 -5.549 -7.370 204 HA ILE 26 HA ILE 26 0.500 -4.466 -9.170 205 HB ILE 26 HB ILE 26 1.004 -6.287 -6.770 206 HG12 ILE 26 HG12 ILE 26 1.140 -3.232 -6.955 207 HG13 ILE 26 HG13 ILE 26 -0.157 -4.139 -6.189 208 HG21 ILE 26 HG21 ILE 26 3.317 -5.380 -6.773 209 HG22 ILE 26 HG22 ILE 26 2.975 -4.528 -8.278 210 HG23 ILE 26 HG23 ILE 26 2.966 -6.292 -8.238 211 HD11 ILE 26 HD11 ILE 26 1.358 -3.238 -4.539 212 HD12 ILE 26 HD12 ILE 26 2.724 -4.056 -5.292 213 HD13 ILE 26 HD13 ILE 26 1.440 -5.000 -4.529 214 H LYS 27 H LYS 27 -0.429 -7.836 -8.508 215 HA LYS 27 HA LYS 27 1.380 -9.216 -10.160 216 HB2 LYS 27 HB2 LYS 27 -1.522 -9.866 -9.487 217 HB3 LYS 27 HB3 LYS 27 -0.413 -10.996 -10.263 218 HG2 LYS 27 HG2 LYS 27 1.020 -11.001 -8.273 219 HG3 LYS 27 HG3 LYS 27 -0.007 -9.792 -7.506 220 HD2 LYS 27 HD2 LYS 27 -0.491 -12.036 -6.613 221 HD3 LYS 27 HD3 LYS 27 -1.896 -11.391 -7.465 222 HE2 LYS 27 HE2 LYS 27 -1.533 -13.778 -7.987 223 HE3 LYS 27 HE3 LYS 27 -1.357 -12.777 -9.427 224 HZ1 LYS 27 HZ1 LYS 27 0.918 -13.742 -7.790 225 HZ2 LYS 27 HZ2 LYS 27 1.006 -12.945 -9.273 226 HZ3 LYS 27 HZ3 LYS 27 0.364 -14.504 -9.188 227 H GLU 28 H GLU 28 -1.768 -7.757 -10.923 228 HA GLU 28 HA GLU 28 -1.801 -8.389 -13.701 229 HB2 GLU 28 HB2 GLU 28 -3.288 -6.230 -12.156 230 HB3 GLU 28 HB3 GLU 28 -3.619 -6.665 -13.832 231 HG2 GLU 28 HG2 GLU 28 -3.947 -8.455 -11.409 232 HG3 GLU 28 HG3 GLU 28 -5.237 -7.700 -12.344 233 H VAL 29 H VAL 29 -0.379 -5.713 -11.886 234 HA VAL 29 HA VAL 29 0.294 -4.136 -14.181 235 HB VAL 29 HB VAL 29 1.725 -4.130 -11.487 236 HG11 VAL 29 HG11 VAL 29 2.445 -1.880 -12.131 237 HG12 VAL 29 HG12 VAL 29 1.588 -2.012 -13.659 238 HG13 VAL 29 HG13 VAL 29 2.973 -3.054 -13.326 239 HG21 VAL 29 HG21 VAL 29 -0.659 -3.657 -11.123 240 HG22 VAL 29 HG22 VAL 29 -0.638 -2.416 -12.374 241 HG23 VAL 29 HG23 VAL 29 0.290 -2.188 -10.888 242 H GLU 30 H GLU 30 1.979 -6.791 -12.453 243 HA GLU 30 HA GLU 30 4.418 -6.690 -13.929 244 HB2 GLU 30 HB2 GLU 30 3.058 -9.113 -12.679 245 HB3 GLU 30 HB3 GLU 30 4.748 -9.035 -13.195 246 HG2 GLU 30 HG2 GLU 30 5.175 -7.230 -11.547 247 HG3 GLU 30 HG3 GLU 30 3.501 -7.329 -11.013 248 H LYS 31 H LYS 31 1.263 -7.876 -14.693 249 HA LYS 31 HA LYS 31 1.983 -9.269 -17.134 250 HB2 LYS 31 HB2 LYS 31 -0.047 -9.656 -15.476 251 HB3 LYS 31 HB3 LYS 31 -0.820 -8.367 -16.389 252 HG2 LYS 31 HG2 LYS 31 -0.514 -9.715 -18.466 253 HG3 LYS 31 HG3 LYS 31 0.190 -11.005 -17.481 254 HD2 LYS 31 HD2 LYS 31 -1.962 -11.137 -16.196 255 HD3 LYS 31 HD3 LYS 31 -2.654 -9.927 -17.280 256 HE2 LYS 31 HE2 LYS 31 -2.359 -11.459 -19.190 257 HE3 LYS 31 HE3 LYS 31 -1.628 -12.663 -18.125 258 HZ1 LYS 31 HZ1 LYS 31 -3.725 -12.729 -16.889 259 HZ2 LYS 31 HZ2 LYS 31 -3.921 -13.190 -18.502 260 HZ3 LYS 31 HZ3 LYS 31 -4.415 -11.654 -17.995 261 H ASN 32 H ASN 32 0.696 -6.101 -16.190 262 HA ASN 32 HA ASN 32 1.060 -4.961 -18.900 263 HB2 ASN 32 HB2 ASN 32 -1.397 -4.541 -17.132 264 HB3 ASN 32 HB3 ASN 32 -1.085 -3.695 -18.642 265 HD21 ASN 32 HD21 ASN 32 -1.235 -4.872 -20.612 266 HD22 ASN 32 HD22 ASN 32 -2.097 -6.366 -20.683 267 HA PRO 33 HA PRO 33 3.435 -2.963 -15.446 268 HB2 PRO 33 HB2 PRO 33 5.368 -1.702 -17.016 269 HB3 PRO 33 HB3 PRO 33 5.440 -3.381 -16.468 270 HG2 PRO 33 HG2 PRO 33 4.477 -2.293 -19.111 271 HG3 PRO 33 HG3 PRO 33 5.535 -3.686 -18.791 272 HD2 PRO 33 HD2 PRO 33 2.939 -4.044 -19.363 273 HD3 PRO 33 HD3 PRO 33 3.737 -5.059 -18.139 274 H GLU 34 H GLU 34 2.500 -1.018 -18.302 275 HA GLU 34 HA GLU 34 2.659 1.435 -16.623 276 HB2 GLU 34 HB2 GLU 34 2.970 1.241 -19.650 277 HB3 GLU 34 HB3 GLU 34 3.263 2.661 -18.640 278 HG2 GLU 34 HG2 GLU 34 5.080 1.393 -17.467 279 HG3 GLU 34 HG3 GLU 34 4.835 0.059 -18.587 280 H ASP 35 H ASP 35 0.328 -0.567 -17.468 281 HA ASP 35 HA ASP 35 -1.725 1.242 -18.351 282 HB2 ASP 35 HB2 ASP 35 -1.831 -1.487 -17.002 283 HB3 ASP 35 HB3 ASP 35 -3.284 -0.590 -17.456 284 H MET 36 H MET 36 -1.890 3.022 -17.213 285 HA MET 36 HA MET 36 -1.084 3.370 -14.548 286 HB2 MET 36 HB2 MET 36 -2.676 5.217 -16.352 287 HB3 MET 36 HB3 MET 36 -1.940 5.695 -14.841 288 HG2 MET 36 HG2 MET 36 -0.292 4.572 -17.112 289 HG3 MET 36 HG3 MET 36 -0.715 6.283 -17.019 290 HE1 MET 36 HE1 MET 36 0.645 3.484 -14.448 291 HE2 MET 36 HE2 MET 36 2.289 4.097 -14.300 292 HE3 MET 36 HE3 MET 36 1.711 3.506 -15.856 293 H GLU 37 H GLU 37 -4.256 2.717 -15.842 294 HA GLU 37 HA GLU 37 -5.988 3.640 -13.893 295 HB2 GLU 37 HB2 GLU 37 -6.774 2.622 -15.969 296 HB3 GLU 37 HB3 GLU 37 -6.163 1.049 -15.468 297 HG2 GLU 37 HG2 GLU 37 -7.804 0.984 -13.624 298 HG3 GLU 37 HG3 GLU 37 -8.407 2.573 -14.097 299 H TYR 38 H TYR 38 -4.260 0.500 -13.880 300 HA TYR 38 HA TYR 38 -5.141 -0.471 -11.388 301 HB2 TYR 38 HB2 TYR 38 -2.648 -0.980 -13.037 302 HB3 TYR 38 HB3 TYR 38 -2.799 -1.712 -11.443 303 HD1 TYR 38 HD1 TYR 38 -4.925 -3.130 -10.976 304 HD2 TYR 38 HD2 TYR 38 -3.676 -2.056 -14.922 305 HE1 TYR 38 HE1 TYR 38 -6.301 -4.936 -11.901 306 HE2 TYR 38 HE2 TYR 38 -5.058 -3.873 -15.844 307 HH TYR 38 HH TYR 38 -6.038 -5.997 -15.111 308 H TRP 39 H TRP 39 -2.430 1.680 -12.170 309 HA TRP 39 HA TRP 39 -1.444 1.859 -9.493 310 HB2 TRP 39 HB2 TRP 39 -0.848 3.452 -12.005 311 HB3 TRP 39 HB3 TRP 39 -0.098 3.834 -10.457 312 HD1 TRP 39 HD1 TRP 39 0.686 1.940 -13.441 313 HE1 TRP 39 HE1 TRP 39 2.473 0.157 -12.994 314 HE3 TRP 39 HE3 TRP 39 0.475 1.796 -8.317 315 HZ2 TRP 39 HZ2 TRP 39 3.616 -1.167 -10.786 316 HZ3 TRP 39 HZ3 TRP 39 1.940 0.218 -7.123 317 HH2 TRP 39 HH2 TRP 39 3.483 -1.239 -8.344 318 H ASN 40 H ASN 40 -3.845 3.815 -11.265 319 HA ASN 40 HA ASN 40 -4.089 5.922 -9.371 320 HB2 ASN 40 HB2 ASN 40 -6.184 4.712 -11.230 321 HB3 ASN 40 HB3 ASN 40 -6.495 6.124 -10.221 322 HD21 ASN 40 HD21 ASN 40 -4.865 4.949 -13.019 323 HD22 ASN 40 HD22 ASN 40 -4.388 6.477 -13.630 324 H LYS 41 H LYS 41 -5.670 2.755 -9.640 325 HA LYS 41 HA LYS 41 -7.289 2.861 -7.335 326 HB2 LYS 41 HB2 LYS 41 -6.017 0.449 -8.697 327 HB3 LYS 41 HB3 LYS 41 -7.259 0.341 -7.455 328 HG2 LYS 41 HG2 LYS 41 -8.741 1.747 -9.028 329 HG3 LYS 41 HG3 LYS 41 -7.528 1.439 -10.273 330 HD2 LYS 41 HD2 LYS 41 -9.146 -0.659 -8.770 331 HD3 LYS 41 HD3 LYS 41 -9.387 -0.165 -10.446 332 HE2 LYS 41 HE2 LYS 41 -7.311 -1.154 -11.126 333 HE3 LYS 41 HE3 LYS 41 -6.790 -1.394 -9.457 334 HZ1 LYS 41 HZ1 LYS 41 -7.542 -3.453 -10.382 335 HZ2 LYS 41 HZ2 LYS 41 -9.038 -2.781 -10.805 336 HZ3 LYS 41 HZ3 LYS 41 -8.623 -2.962 -9.177 337 H ILE 42 H ILE 42 -4.073 1.304 -7.726 338 HA ILE 42 HA ILE 42 -3.659 0.498 -5.082 339 HB ILE 42 HB ILE 42 -1.618 1.190 -7.244 340 HG12 ILE 42 HG12 ILE 42 -2.609 -1.550 -6.309 341 HG13 ILE 42 HG13 ILE 42 -3.239 -0.708 -7.721 342 HG21 ILE 42 HG21 ILE 42 -0.478 1.308 -5.065 343 HG22 ILE 42 HG22 ILE 42 0.058 -0.116 -5.954 344 HG23 ILE 42 HG23 ILE 42 -1.097 -0.287 -4.630 345 HD11 ILE 42 HD11 ILE 42 -1.027 -0.845 -8.778 346 HD12 ILE 42 HD12 ILE 42 -1.650 -2.437 -8.345 347 HD13 ILE 42 HD13 ILE 42 -0.398 -1.684 -7.356 348 H TYR 43 H TYR 43 -2.863 3.592 -6.651 349 HA TYR 43 HA TYR 43 -1.402 4.843 -4.608 350 HB2 TYR 43 HB2 TYR 43 -1.597 5.729 -6.922 351 HB3 TYR 43 HB3 TYR 43 -3.286 6.121 -6.639 352 HD1 TYR 43 HD2 TYR 43 0.214 7.060 -5.804 353 HD2 TYR 43 HD1 TYR 43 -3.904 8.145 -5.396 354 HE1 TYR 43 HE2 TYR 43 0.869 9.277 -4.974 355 HE2 TYR 43 HE1 TYR 43 -3.235 10.354 -4.564 356 HH TYR 43 HH TYR 43 -1.338 11.416 -3.499 357 H ARG 44 H ARG 44 -4.932 4.830 -5.202 358 HA ARG 44 HA ARG 44 -5.652 6.468 -2.963 359 HB2 ARG 44 HB2 ARG 44 -7.340 4.555 -4.623 360 HB3 ARG 44 HB3 ARG 44 -7.989 5.689 -3.439 361 HG2 ARG 44 HG2 ARG 44 -7.092 7.579 -4.779 362 HG3 ARG 44 HG3 ARG 44 -6.497 6.426 -5.976 363 HD2 ARG 44 HD2 ARG 44 -9.408 6.859 -5.214 364 HD3 ARG 44 HD3 ARG 44 -8.631 7.433 -6.692 365 HE ARG 44 HE ARG 44 -9.178 4.600 -6.010 366 HH11 ARG 44 HH11 ARG 44 -8.400 6.952 -8.425 367 HH12 ARG 44 HH12 ARG 44 -8.788 5.883 -9.728 368 HH21 ARG 44 HH21 ARG 44 -9.646 3.261 -7.696 369 HH22 ARG 44 HH22 ARG 44 -9.464 3.829 -9.321 370 H LEU 45 H LEU 45 -5.471 2.961 -3.438 371 HA LEU 45 HA LEU 45 -6.695 2.173 -0.988 372 HB2 LEU 45 HB2 LEU 45 -4.746 0.634 -2.736 373 HB3 LEU 45 HB3 LEU 45 -5.762 -0.063 -1.482 374 HG LEU 45 HG LEU 45 -6.796 1.247 -4.030 375 HD11 LEU 45 HD11 LEU 45 -7.370 -1.012 -4.793 376 HD12 LEU 45 HD12 LEU 45 -6.605 -1.700 -3.359 377 HD13 LEU 45 HD13 LEU 45 -5.634 -0.832 -4.550 378 HD21 LEU 45 HD21 LEU 45 -8.996 0.351 -3.426 379 HD22 LEU 45 HD22 LEU 45 -8.410 1.457 -2.187 380 HD23 LEU 45 HD23 LEU 45 -8.343 -0.286 -1.914 381 H VAL 46 H VAL 46 -3.311 2.640 -1.950 382 HA VAL 46 HA VAL 46 -2.109 2.050 0.572 383 HB VAL 46 HB VAL 46 -1.101 3.571 -1.871 384 HG11 VAL 46 HG11 VAL 46 0.050 4.563 0.039 385 HG12 VAL 46 HG12 VAL 46 1.173 3.532 -0.841 386 HG13 VAL 46 HG13 VAL 46 0.458 2.968 0.669 387 HG21 VAL 46 HG21 VAL 46 -0.356 0.840 -0.724 388 HG22 VAL 46 HG22 VAL 46 0.355 1.574 -2.165 389 HG23 VAL 46 HG23 VAL 46 -1.352 1.133 -2.154 390 H HIS 47 H HIS 47 -3.269 5.077 -0.932 391 HA HIS 47 HA HIS 47 -2.609 6.905 1.109 392 HB2 HIS 47 HB2 HIS 47 -3.417 7.741 -1.021 393 HB3 HIS 47 HB3 HIS 47 -4.938 6.870 -0.856 394 HD1 HIS 47 HD1 HIS 47 -6.805 8.012 0.433 395 HD2 HIS 47 HD2 HIS 47 -3.222 10.102 0.635 396 HE1 HIS 47 HE1 HIS 47 -7.368 10.204 1.497 397 HE2 HIS 47 HE2 HIS 47 -5.239 11.520 1.401 398 H THR 48 H THR 48 -5.279 4.614 0.828 399 HA THR 48 HA THR 48 -6.733 5.443 3.157 400 HB THR 48 HB THR 48 -6.787 2.743 1.731 401 HG1 THR 48 HG1 THR 48 -7.623 4.021 0.245 402 HG21 THR 48 HG21 THR 48 -9.027 2.453 2.764 403 HG22 THR 48 HG22 THR 48 -8.813 3.959 3.658 404 HG23 THR 48 HG23 THR 48 -7.768 2.577 3.997 405 H MET 49 H MET 49 -4.236 2.936 2.555 406 HA MET 49 HA MET 49 -4.065 1.812 5.150 407 HB2 MET 49 HB2 MET 49 -1.851 2.134 3.078 408 HB3 MET 49 HB3 MET 49 -1.760 1.089 4.492 409 HG2 MET 49 HG2 MET 49 -3.580 -0.261 3.623 410 HG3 MET 49 HG3 MET 49 -3.731 0.803 2.230 411 HE1 MET 49 HE1 MET 49 -2.244 -2.436 0.663 412 HE2 MET 49 HE2 MET 49 -3.594 -1.296 0.675 413 HE3 MET 49 HE3 MET 49 -3.344 -2.390 2.040 414 H LYS 50 H LYS 50 -2.466 4.608 3.715 415 HA LYS 50 HA LYS 50 -0.761 5.341 5.838 416 HB2 LYS 50 HB2 LYS 50 -0.527 6.204 3.540 417 HB3 LYS 50 HB3 LYS 50 -2.062 7.048 3.679 418 HG2 LYS 50 HG2 LYS 50 -1.114 8.488 5.447 419 HG3 LYS 50 HG3 LYS 50 0.429 7.639 5.311 420 HD2 LYS 50 HD2 LYS 50 0.739 8.446 3.034 421 HD3 LYS 50 HD3 LYS 50 -0.884 9.143 3.013 422 HE2 LYS 50 HE2 LYS 50 1.356 10.044 4.848 423 HE3 LYS 50 HE3 LYS 50 0.914 10.830 3.333 424 HZ1 LYS 50 HZ1 LYS 50 -1.290 11.243 4.250 425 HZ2 LYS 50 HZ2 LYS 50 -0.081 11.957 5.185 426 HZ3 LYS 50 HZ3 LYS 50 -0.831 10.541 5.716 427 H GLU 51 H GLU 51 -4.006 6.504 4.917 428 HA GLU 51 HA GLU 51 -4.619 8.199 7.029 429 HB2 GLU 51 HB2 GLU 51 -5.969 8.024 4.992 430 HB3 GLU 51 HB3 GLU 51 -6.405 6.365 5.381 431 HG2 GLU 51 HG2 GLU 51 -7.619 7.205 7.392 432 HG3 GLU 51 HG3 GLU 51 -7.260 8.852 6.881 433 H ILE 52 H ILE 52 -5.038 4.671 6.792 434 HA ILE 52 HA ILE 52 -6.312 4.129 9.232 435 HB ILE 52 HB ILE 52 -4.486 2.428 7.476 436 HG12 ILE 52 HG12 ILE 52 -7.487 2.194 8.039 437 HG13 ILE 52 HG13 ILE 52 -6.790 2.976 6.627 438 HG21 ILE 52 HG21 ILE 52 -5.867 1.439 10.004 439 HG22 ILE 52 HG22 ILE 52 -4.129 1.545 9.734 440 HG23 ILE 52 HG23 ILE 52 -5.094 0.403 8.800 441 HD11 ILE 52 HD11 ILE 52 -5.857 0.831 5.900 442 HD12 ILE 52 HD12 ILE 52 -7.607 0.761 6.098 443 HD13 ILE 52 HD13 ILE 52 -6.557 0.050 7.322 444 H THR 53 H THR 53 -2.788 3.892 8.482 445 HA THR 53 HA THR 53 -2.080 3.276 11.156 446 HB THR 53 HB THR 53 -0.615 2.535 9.390 447 HG1 THR 53 HG1 THR 53 0.724 4.454 10.937 448 HG21 THR 53 HG21 THR 53 0.847 4.065 8.146 449 HG22 THR 53 HG22 THR 53 0.036 5.442 8.889 450 HG23 THR 53 HG23 THR 53 -0.852 4.392 7.781 451 H GLU 54 H GLU 54 -2.378 6.382 9.494 452 HA GLU 54 HA GLU 54 -1.164 8.031 11.472 453 HB2 GLU 54 HB2 GLU 54 -3.295 8.632 9.397 454 HB3 GLU 54 HB3 GLU 54 -2.644 9.870 10.470 455 HG2 GLU 54 HG2 GLU 54 -0.398 9.496 9.553 456 HG3 GLU 54 HG3 GLU 54 -1.016 8.227 8.499 457 H THR 55 H THR 55 -4.614 7.015 11.056 458 HA THR 55 HA THR 55 -5.466 8.300 13.499 459 HB THR 55 HB THR 55 -7.103 7.877 11.666 460 HG1 THR 55 HG1 THR 55 -8.089 6.451 13.885 461 HG21 THR 55 HG21 THR 55 -6.460 5.604 10.966 462 HG22 THR 55 HG22 THR 55 -8.163 5.664 11.416 463 HG23 THR 55 HG23 THR 55 -6.987 4.967 12.530 464 H MET 56 H MET 56 -4.019 5.239 12.792 465 HA MET 56 HA MET 56 -4.520 3.975 15.349 466 HB2 MET 56 HB2 MET 56 -2.490 3.377 13.156 467 HB3 MET 56 HB3 MET 56 -2.741 2.363 14.571 468 HG2 MET 56 HG2 MET 56 -5.011 2.972 12.683 469 HG3 MET 56 HG3 MET 56 -3.861 1.685 12.340 470 HE1 MET 56 HE1 MET 56 -3.196 0.296 14.989 471 HE2 MET 56 HE2 MET 56 -3.747 -0.568 13.550 472 HE3 MET 56 HE3 MET 56 -4.491 -0.896 15.116 473 H GLY 57 H GLY 57 -2.368 6.429 14.242 474 HA2 GLY 57 HA2 GLY 57 -1.151 7.850 15.679 475 HA3 GLY 57 HA3 GLY 57 -1.038 6.566 16.871 476 H PHE 58 H PHE 58 -0.226 5.130 14.017 477 HA PHE 58 HA PHE 58 2.609 5.092 14.697 478 HB2 PHE 58 HB2 PHE 58 0.928 3.499 12.732 479 HB3 PHE 58 HB3 PHE 58 2.625 3.189 13.004 480 HD1 PHE 58 HD2 PHE 58 3.159 2.991 15.725 481 HD2 PHE 58 HD1 PHE 58 -0.550 2.052 13.810 482 HE1 PHE 58 HE2 PHE 58 2.535 1.545 17.615 483 HE2 PHE 58 HE1 PHE 58 -1.163 0.613 15.709 484 HZ PHE 58 HZ PHE 58 0.378 0.360 17.611 485 H SER 59 H SER 59 3.259 7.200 13.992 486 HA SER 59 HA SER 59 2.988 8.175 11.320 487 HB2 SER 59 HB2 SER 59 5.019 8.937 13.461 488 HB3 SER 59 HB3 SER 59 4.729 9.840 11.971 489 HG SER 59 HG SER 59 3.380 9.935 14.297 490 H SER 60 H SER 60 5.346 6.090 12.875 491 HA SER 60 HA SER 60 7.474 6.128 11.041 492 HB2 SER 60 HB2 SER 60 7.649 5.024 13.238 493 HB3 SER 60 HB3 SER 60 6.466 3.809 12.751 494 HG SER 60 HG SER 60 8.049 2.729 11.881 495 H VAL 61 H VAL 61 4.591 4.028 11.124 496 HA VAL 61 HA VAL 61 5.203 2.535 8.765 497 HB VAL 61 HB VAL 61 2.453 2.932 10.022 498 HG11 VAL 61 HG11 VAL 61 3.506 0.666 8.282 499 HG12 VAL 61 HG12 VAL 61 2.344 1.903 7.798 500 HG13 VAL 61 HG13 VAL 61 1.907 0.728 9.035 501 HG21 VAL 61 HG21 VAL 61 4.015 2.181 11.753 502 HG22 VAL 61 HG22 VAL 61 4.539 0.838 10.736 503 HG23 VAL 61 HG23 VAL 61 2.883 0.891 11.346 504 H ALA 62 H ALA 62 3.222 5.452 9.409 505 HA ALA 62 HA ALA 62 1.972 5.792 6.924 506 HB1 ALA 62 HB1 ALA 62 1.341 7.145 8.854 507 HB2 ALA 62 HB2 ALA 62 1.766 8.192 7.490 508 HB3 ALA 62 HB3 ALA 62 2.906 7.970 8.824 509 H LYS 63 H LYS 63 5.263 6.675 7.907 510 HA LYS 63 HA LYS 63 5.972 8.150 5.579 511 HB2 LYS 63 HB2 LYS 63 7.750 6.641 7.536 512 HB3 LYS 63 HB3 LYS 63 8.341 7.736 6.285 513 HG2 LYS 63 HG2 LYS 63 6.946 9.565 7.371 514 HG3 LYS 63 HG3 LYS 63 6.645 8.444 8.698 515 HD2 LYS 63 HD2 LYS 63 8.478 9.976 9.265 516 HD3 LYS 63 HD3 LYS 63 9.072 8.318 9.155 517 HE2 LYS 63 HE2 LYS 63 10.612 9.972 8.092 518 HE3 LYS 63 HE3 LYS 63 10.031 8.754 6.956 519 HZ1 LYS 63 HZ1 LYS 63 8.989 11.523 7.216 520 HZ2 LYS 63 HZ2 LYS 63 8.404 10.361 6.140 521 HZ3 LYS 63 HZ3 LYS 63 9.979 10.944 5.977 522 H VAL 64 H VAL 64 6.195 4.680 6.348 523 HA VAL 64 HA VAL 64 7.588 3.803 4.036 524 HB VAL 64 HB VAL 64 5.504 2.261 5.655 525 HG11 VAL 64 HG11 VAL 64 7.684 1.171 3.818 526 HG12 VAL 64 HG12 VAL 64 5.951 1.165 3.485 527 HG13 VAL 64 HG13 VAL 64 6.593 0.203 4.818 528 HG21 VAL 64 HG21 VAL 64 7.407 1.349 6.941 529 HG22 VAL 64 HG22 VAL 64 7.316 3.102 7.096 530 HG23 VAL 64 HG23 VAL 64 8.526 2.373 6.037 531 H LEU 65 H LEU 65 4.106 4.185 4.680 532 HA LEU 65 HA LEU 65 3.222 3.399 2.056 533 HB2 LEU 65 HB2 LEU 65 1.809 4.755 4.374 534 HB3 LEU 65 HB3 LEU 65 1.004 4.483 2.841 535 HG LEU 65 HG LEU 65 0.370 2.758 4.464 536 HD11 LEU 65 HD11 LEU 65 0.411 2.080 2.119 537 HD12 LEU 65 HD12 LEU 65 0.852 0.728 3.158 538 HD13 LEU 65 HD13 LEU 65 2.104 1.591 2.258 539 HD21 LEU 65 HD21 LEU 65 1.996 1.091 5.304 540 HD22 LEU 65 HD22 LEU 65 2.321 2.719 5.893 541 HD23 LEU 65 HD23 LEU 65 3.313 2.044 4.598 542 H HIS 66 H HIS 66 4.237 6.392 3.524 543 HA HIS 66 HA HIS 66 3.222 8.235 1.603 544 HB2 HIS 66 HB2 HIS 66 3.955 8.817 3.934 545 HB3 HIS 66 HB3 HIS 66 5.621 8.562 3.452 546 HD1 HIS 66 HD1 HIS 66 6.743 10.447 2.090 547 HD2 HIS 66 HD2 HIS 66 2.758 11.168 2.998 548 HE1 HIS 66 HE1 HIS 66 6.361 12.867 1.552 549 HE2 HIS 66 HE2 HIS 66 3.980 13.307 2.215 550 H THR 67 H THR 67 6.148 6.225 1.751 551 HA THR 67 HA THR 67 7.556 7.561 -0.393 552 HB THR 67 HB THR 67 9.074 5.677 -0.530 553 HG1 THR 67 HG1 THR 67 7.009 4.259 0.752 554 HG21 THR 67 HG21 THR 67 8.322 6.085 2.376 555 HG22 THR 67 HG22 THR 67 9.400 7.119 1.437 556 HG23 THR 67 HG23 THR 67 9.856 5.450 1.785 557 H ILE 68 H ILE 68 4.927 5.291 -0.285 558 HA ILE 68 HA ILE 68 5.304 4.181 -2.949 559 HB ILE 68 HB ILE 68 2.687 4.011 -1.396 560 HG12 ILE 68 HG12 ILE 68 4.297 3.370 0.286 561 HG13 ILE 68 HG13 ILE 68 3.564 1.889 -0.316 562 HG21 ILE 68 HG21 ILE 68 2.468 1.821 -2.524 563 HG22 ILE 68 HG22 ILE 68 4.027 2.061 -3.315 564 HG23 ILE 68 HG23 ILE 68 2.673 3.128 -3.691 565 HD11 ILE 68 HD11 ILE 68 6.281 2.968 -1.058 566 HD12 ILE 68 HD12 ILE 68 5.555 1.479 -1.681 567 HD13 ILE 68 HD13 ILE 68 5.932 1.631 0.037 568 H MET 69 H MET 69 3.502 6.725 -1.361 569 HA MET 69 HA MET 69 1.747 7.491 -3.420 570 HB2 MET 69 HB2 MET 69 3.007 9.416 -1.421 571 HB3 MET 69 HB3 MET 69 1.454 9.568 -2.236 572 HG2 MET 69 HG2 MET 69 0.836 7.379 -0.956 573 HG3 MET 69 HG3 MET 69 2.221 7.770 0.042 574 HE1 MET 69 HE1 MET 69 -0.266 10.350 -1.661 575 HE2 MET 69 HE2 MET 69 -1.416 10.609 -0.350 576 HE3 MET 69 HE3 MET 69 -1.340 9.043 -1.157 577 H ASN 70 H ASN 70 5.037 8.678 -2.620 578 HA ASN 70 HA ASN 70 5.381 10.413 -4.828 579 HB2 ASN 70 HB2 ASN 70 6.879 10.370 -2.818 580 HB3 ASN 70 HB3 ASN 70 7.533 8.824 -3.360 581 HD21 ASN 70 HD21 ASN 70 6.785 11.559 -5.513 582 HD22 ASN 70 HD22 ASN 70 8.420 11.874 -5.952 583 H LEU 71 H LEU 71 6.202 6.990 -4.394 584 HA LEU 71 HA LEU 71 7.665 6.489 -6.722 585 HB2 LEU 71 HB2 LEU 71 7.314 5.099 -4.548 586 HB3 LEU 71 HB3 LEU 71 5.881 4.452 -5.315 587 HG LEU 71 HG LEU 71 8.706 4.146 -6.415 588 HD11 LEU 71 HD11 LEU 71 8.521 2.986 -4.257 589 HD12 LEU 71 HD12 LEU 71 8.651 1.828 -5.575 590 HD13 LEU 71 HD13 LEU 71 7.083 2.126 -4.818 591 HD21 LEU 71 HD21 LEU 71 7.742 2.344 -7.820 592 HD22 LEU 71 HD22 LEU 71 7.021 3.912 -8.172 593 HD23 LEU 71 HD23 LEU 71 6.130 2.735 -7.205 594 H VAL 72 H VAL 72 4.232 5.791 -6.112 595 HA VAL 72 HA VAL 72 3.611 4.859 -8.724 596 HB VAL 72 HB VAL 72 1.761 5.674 -6.437 597 HG11 VAL 72 HG11 VAL 72 1.141 4.064 -8.943 598 HG12 VAL 72 HG12 VAL 72 0.548 5.686 -8.573 599 HG13 VAL 72 HG13 VAL 72 0.032 4.317 -7.589 600 HG21 VAL 72 HG21 VAL 72 2.796 2.918 -7.247 601 HG22 VAL 72 HG22 VAL 72 1.639 3.243 -5.953 602 HG23 VAL 72 HG23 VAL 72 3.295 3.837 -5.822 603 H ASP 73 H ASP 73 3.070 8.002 -7.076 604 HA ASP 73 HA ASP 73 1.447 9.238 -9.017 605 HB2 ASP 73 HB2 ASP 73 1.770 10.159 -6.761 606 HB3 ASP 73 HB3 ASP 73 3.460 10.503 -7.115 607 H LYS 74 H LYS 74 4.959 8.894 -8.854 608 HA LYS 74 HA LYS 74 5.592 10.563 -11.099 609 HB2 LYS 74 HB2 LYS 74 7.154 8.409 -9.653 610 HB3 LYS 74 HB3 LYS 74 7.818 9.344 -10.990 611 HG2 LYS 74 HG2 LYS 74 7.380 11.443 -9.662 612 HG3 LYS 74 HG3 LYS 74 6.915 10.422 -8.298 613 HD2 LYS 74 HD2 LYS 74 9.629 10.467 -9.667 614 HD3 LYS 74 HD3 LYS 74 9.253 11.174 -8.094 615 HE2 LYS 74 HE2 LYS 74 8.791 8.945 -7.174 616 HE3 LYS 74 HE3 LYS 74 9.069 8.207 -8.754 617 HZ1 LYS 74 HZ1 LYS 74 11.071 9.632 -7.098 618 HZ2 LYS 74 HZ2 LYS 74 11.357 9.034 -8.650 619 HZ3 LYS 74 HZ3 LYS 74 11.002 7.970 -7.389 620 H MET 75 H MET 75 4.746 7.146 -10.765 621 HA MET 75 HA MET 75 5.398 6.239 -13.353 622 HB2 MET 75 HB2 MET 75 3.145 5.395 -11.487 623 HB3 MET 75 HB3 MET 75 3.550 4.535 -12.964 624 HG2 MET 75 HG2 MET 75 5.753 3.977 -12.074 625 HG3 MET 75 HG3 MET 75 5.411 4.901 -10.602 626 HE1 MET 75 HE1 MET 75 6.264 2.295 -9.659 627 HE2 MET 75 HE2 MET 75 6.072 1.527 -11.234 628 HE3 MET 75 HE3 MET 75 5.218 0.886 -9.830 629 H LEU 76 H LEU 76 2.548 7.966 -12.143 630 HA LEU 76 HA LEU 76 0.783 7.825 -14.305 631 HB2 LEU 76 HB2 LEU 76 1.160 9.744 -12.022 632 HB3 LEU 76 HB3 LEU 76 0.117 10.273 -13.322 633 HG LEU 76 HG LEU 76 -1.219 9.312 -11.505 634 HD11 LEU 76 HD11 LEU 76 -2.066 9.016 -13.784 635 HD12 LEU 76 HD12 LEU 76 -2.551 7.678 -12.746 636 HD13 LEU 76 HD13 LEU 76 -1.239 7.460 -13.907 637 HD21 LEU 76 HD21 LEU 76 0.446 7.800 -10.513 638 HD22 LEU 76 HD22 LEU 76 0.303 6.712 -11.894 639 HD23 LEU 76 HD23 LEU 76 -1.075 6.961 -10.819 640 H ASN 77 H ASN 77 3.759 9.591 -14.201 641 HA ASN 77 HA ASN 77 3.013 11.164 -16.605 642 HB2 ASN 77 HB2 ASN 77 5.196 12.527 -15.836 643 HB3 ASN 77 HB3 ASN 77 3.608 12.881 -15.186 644 HD21 ASN 77 HD21 ASN 77 3.112 12.089 -13.069 645 HD22 ASN 77 HD22 ASN 77 4.372 11.733 -11.948 646 H SER 78 H SER 78 4.306 11.223 -18.357 647 HA SER 78 HA SER 78 5.711 8.895 -19.107 648 HB2 SER 78 HB2 SER 78 5.565 11.612 -20.469 649 HB3 SER 78 HB3 SER 78 6.199 10.145 -21.225 650 HG SER 78 HG SER 78 4.180 9.230 -21.127 651 H GLU 79 H GLU 79 6.870 11.557 -17.334 652 HA GLU 79 HA GLU 79 9.549 11.686 -18.401 653 HB2 GLU 79 HB2 GLU 79 9.967 13.323 -16.620 654 HB3 GLU 79 HB3 GLU 79 8.450 13.675 -17.442 655 HG2 GLU 79 HG2 GLU 79 7.184 12.699 -15.600 656 HG3 GLU 79 HG3 GLU 79 8.681 12.307 -14.764 657 H ILE 80 H ILE 80 7.965 9.649 -16.149 658 HA ILE 80 HA ILE 80 10.552 8.619 -15.068 659 HB ILE 80 HB ILE 80 7.880 8.571 -13.597 660 HG12 ILE 80 HG12 ILE 80 8.837 10.903 -13.946 661 HG13 ILE 80 HG13 ILE 80 8.522 10.465 -12.295 662 HG21 ILE 80 HG21 ILE 80 9.234 7.951 -11.598 663 HG22 ILE 80 HG22 ILE 80 10.678 7.887 -12.612 664 HG23 ILE 80 HG23 ILE 80 9.353 6.757 -12.893 665 HD11 ILE 80 HD11 ILE 80 10.599 11.705 -12.536 666 HD12 ILE 80 HD12 ILE 80 11.232 10.477 -13.631 667 HD13 ILE 80 HD13 ILE 80 10.921 10.080 -11.938 668 H LYS 81 H LYS 81 7.100 7.677 -15.196 669 HA LYS 81 HA LYS 81 5.971 5.782 -15.655 670 HB2 LYS 81 HB2 LYS 81 8.222 5.204 -17.620 671 HB3 LYS 81 HB3 LYS 81 6.602 4.512 -17.661 672 HG2 LYS 81 HG2 LYS 81 5.719 6.877 -17.996 673 HG3 LYS 81 HG3 LYS 81 7.397 7.393 -18.174 674 HD2 LYS 81 HD2 LYS 81 6.505 7.085 -20.388 675 HD3 LYS 81 HD3 LYS 81 7.627 5.753 -20.084 676 HE2 LYS 81 HE2 LYS 81 5.619 4.351 -19.421 677 HE3 LYS 81 HE3 LYS 81 4.596 5.664 -20.000 678 HZ1 LYS 81 HZ1 LYS 81 4.943 3.893 -21.630 679 HZ2 LYS 81 HZ2 LYS 81 6.597 4.228 -21.647 680 HZ3 LYS 81 HZ3 LYS 81 5.497 5.389 -22.187 681 H ILE 82 H ILE 82 6.952 3.141 -16.416 682 HA ILE 82 HA ILE 82 7.798 2.239 -13.728 683 HB ILE 82 HB ILE 82 6.118 0.872 -15.883 684 HG12 ILE 82 HG12 ILE 82 4.488 0.633 -13.884 685 HG13 ILE 82 HG13 ILE 82 5.505 1.810 -13.056 686 HG21 ILE 82 HG21 ILE 82 5.948 -1.115 -14.419 687 HG22 ILE 82 HG22 ILE 82 7.161 -0.421 -13.338 688 HG23 ILE 82 HG23 ILE 82 7.597 -0.858 -14.992 689 HD11 ILE 82 HD11 ILE 82 3.589 2.836 -14.074 690 HD12 ILE 82 HD12 ILE 82 4.056 2.213 -15.655 691 HD13 ILE 82 HD13 ILE 82 5.066 3.412 -14.840 692 H THR 83 H THR 83 9.762 1.410 -13.512 693 HA THR 83 HA THR 83 11.449 0.894 -15.817 694 HB THR 83 HB THR 83 12.262 0.618 -12.885 695 HG1 THR 83 HG1 THR 83 12.843 2.888 -13.084 696 HG21 THR 83 HG21 THR 83 13.886 1.488 -15.317 697 HG22 THR 83 HG22 THR 83 13.964 -0.105 -14.564 698 HG23 THR 83 HG23 THR 83 14.492 1.317 -13.667 699 H SER 84 H SER 84 9.232 -1.015 -15.203 700 HA SER 84 HA SER 84 8.654 -3.181 -15.107 701 HB2 SER 84 HB2 SER 84 11.533 -3.659 -15.971 702 HB3 SER 84 HB3 SER 84 10.273 -4.896 -15.970 703 HG SER 84 HG SER 84 10.031 -4.163 -17.951 704 H ASP 85 H ASP 85 12.006 -3.553 -13.880 705 HA ASP 85 HA ASP 85 11.397 -5.209 -11.687 706 HB2 ASP 85 HB2 ASP 85 13.788 -3.368 -12.064 707 HB3 ASP 85 HB3 ASP 85 13.702 -4.737 -10.955 708 H LEU 86 H LEU 86 11.133 -1.775 -12.018 709 HA LEU 86 HA LEU 86 11.223 -0.868 -9.380 710 HB2 LEU 86 HB2 LEU 86 11.031 0.574 -11.418 711 HB3 LEU 86 HB3 LEU 86 9.346 0.099 -11.563 712 HG LEU 86 HG LEU 86 8.974 1.090 -9.238 713 HD11 LEU 86 HD11 LEU 86 10.587 2.753 -8.403 714 HD12 LEU 86 HD12 LEU 86 11.728 2.292 -9.668 715 HD13 LEU 86 HD13 LEU 86 11.264 1.126 -8.426 716 HD21 LEU 86 HD21 LEU 86 8.808 3.415 -10.068 717 HD22 LEU 86 HD22 LEU 86 8.246 2.264 -11.275 718 HD23 LEU 86 HD23 LEU 86 9.837 3.009 -11.447 719 H ILE 87 H ILE 87 8.645 -2.617 -11.045 720 HA ILE 87 HA ILE 87 6.503 -2.252 -9.233 721 HB ILE 87 HB ILE 87 7.088 -4.717 -10.944 722 HG12 ILE 87 HG12 ILE 87 5.422 -2.262 -11.681 723 HG13 ILE 87 HG13 ILE 87 7.054 -2.573 -12.262 724 HG21 ILE 87 HG21 ILE 87 4.439 -3.754 -9.793 725 HG22 ILE 87 HG22 ILE 87 5.336 -5.188 -9.290 726 HG23 ILE 87 HG23 ILE 87 4.636 -5.111 -10.906 727 HD11 ILE 87 HD11 ILE 87 5.399 -3.132 -13.937 728 HD12 ILE 87 HD12 ILE 87 4.623 -4.267 -12.834 729 HD13 ILE 87 HD13 ILE 87 6.261 -4.581 -13.419 730 H ASP 88 H ASP 88 9.294 -4.442 -9.175 731 HA ASP 88 HA ASP 88 8.492 -6.146 -7.018 732 HB2 ASP 88 HB2 ASP 88 11.303 -5.408 -7.953 733 HB3 ASP 88 HB3 ASP 88 10.921 -6.724 -6.846 734 H LYS 89 H LYS 89 10.000 -2.968 -7.159 735 HA LYS 89 HA LYS 89 10.844 -2.733 -4.456 736 HB2 LYS 89 HB2 LYS 89 11.549 -1.247 -6.360 737 HB3 LYS 89 HB3 LYS 89 9.944 -0.538 -6.370 738 HG2 LYS 89 HG2 LYS 89 10.282 0.447 -4.184 739 HG3 LYS 89 HG3 LYS 89 11.812 -0.416 -3.983 740 HD2 LYS 89 HD2 LYS 89 12.731 0.842 -5.949 741 HD3 LYS 89 HD3 LYS 89 11.223 1.759 -6.031 742 HE2 LYS 89 HE2 LYS 89 11.641 2.733 -3.852 743 HE3 LYS 89 HE3 LYS 89 13.052 1.702 -3.610 744 HZ1 LYS 89 HZ1 LYS 89 13.763 3.864 -4.261 745 HZ2 LYS 89 HZ2 LYS 89 12.754 3.866 -5.615 746 HZ3 LYS 89 HZ3 LYS 89 14.072 2.808 -5.547 747 H VAL 90 H VAL 90 7.785 -2.034 -6.107 748 HA VAL 90 HA VAL 90 6.368 -0.909 -3.897 749 HB VAL 90 HB VAL 90 5.077 -2.370 -6.255 750 HG11 VAL 90 HG11 VAL 90 3.515 -1.767 -4.460 751 HG12 VAL 90 HG12 VAL 90 3.200 -0.793 -5.895 752 HG13 VAL 90 HG13 VAL 90 4.052 -0.086 -4.519 753 HG21 VAL 90 HG21 VAL 90 6.715 -0.795 -7.180 754 HG22 VAL 90 HG22 VAL 90 6.054 0.518 -6.200 755 HG23 VAL 90 HG23 VAL 90 5.077 -0.209 -7.479 756 H LYS 91 H LYS 91 6.635 -4.235 -5.189 757 HA LYS 91 HA LYS 91 4.786 -5.516 -3.471 758 HB2 LYS 91 HB2 LYS 91 7.223 -6.708 -4.865 759 HB3 LYS 91 HB3 LYS 91 6.007 -7.651 -4.010 760 HG2 LYS 91 HG2 LYS 91 4.314 -6.516 -5.636 761 HG3 LYS 91 HG3 LYS 91 5.741 -6.151 -6.609 762 HD2 LYS 91 HD2 LYS 91 4.901 -8.945 -5.712 763 HD3 LYS 91 HD3 LYS 91 4.569 -8.261 -7.303 764 HE2 LYS 91 HE2 LYS 91 7.363 -8.684 -6.183 765 HE3 LYS 91 HE3 LYS 91 6.530 -9.823 -7.244 766 HZ1 LYS 91 HZ1 LYS 91 6.421 -8.120 -8.935 767 HZ2 LYS 91 HZ2 LYS 91 8.013 -8.414 -8.484 768 HZ3 LYS 91 HZ3 LYS 91 7.226 -7.024 -7.930 769 H LYS 92 H LYS 92 8.263 -4.873 -3.074 770 HA LYS 92 HA LYS 92 8.627 -6.384 -0.693 771 HB2 LYS 92 HB2 LYS 92 10.517 -5.786 -2.129 772 HB3 LYS 92 HB3 LYS 92 10.234 -4.080 -1.825 773 HG2 LYS 92 HG2 LYS 92 12.123 -4.827 -0.490 774 HG3 LYS 92 HG3 LYS 92 10.772 -4.409 0.564 775 HD2 LYS 92 HD2 LYS 92 11.869 -6.461 1.360 776 HD3 LYS 92 HD3 LYS 92 10.217 -6.810 0.843 777 HE2 LYS 92 HE2 LYS 92 11.850 -8.541 0.104 778 HE3 LYS 92 HE3 LYS 92 11.037 -7.762 -1.254 779 HZ1 LYS 92 HZ1 LYS 92 13.434 -8.032 -1.590 780 HZ2 LYS 92 HZ2 LYS 92 13.737 -7.029 -0.263 781 HZ3 LYS 92 HZ3 LYS 92 12.961 -6.411 -1.630 782 H LYS 93 H LYS 93 7.771 -3.012 -1.297 783 HA LYS 93 HA LYS 93 7.897 -2.077 1.392 784 HB2 LYS 93 HB2 LYS 93 6.401 -1.061 -1.046 785 HB3 LYS 93 HB3 LYS 93 6.424 -0.204 0.493 786 HG2 LYS 93 HG2 LYS 93 8.864 -0.845 -1.191 787 HG3 LYS 93 HG3 LYS 93 8.041 0.718 -1.126 788 HD2 LYS 93 HD2 LYS 93 8.557 0.809 1.344 789 HD3 LYS 93 HD3 LYS 93 9.501 -0.673 1.161 790 HE2 LYS 93 HE2 LYS 93 10.984 1.258 1.136 791 HE3 LYS 93 HE3 LYS 93 10.977 0.507 -0.461 792 HZ1 LYS 93 HZ1 LYS 93 10.838 2.930 -0.554 793 HZ2 LYS 93 HZ2 LYS 93 9.379 2.893 0.301 794 HZ3 LYS 93 HZ3 LYS 93 9.476 2.201 -1.238 795 H LEU 94 H LEU 94 5.237 -3.366 -0.585 796 HA LEU 94 HA LEU 94 3.207 -3.093 1.431 797 HB2 LEU 94 HB2 LEU 94 3.061 -3.317 -1.219 798 HB3 LEU 94 HB3 LEU 94 2.989 -5.033 -0.889 799 HG LEU 94 HG LEU 94 0.747 -4.009 -1.269 800 HD11 LEU 94 HD11 LEU 94 0.877 -6.023 0.103 801 HD12 LEU 94 HD12 LEU 94 -0.447 -4.977 0.607 802 HD13 LEU 94 HD13 LEU 94 1.040 -5.036 1.558 803 HD21 LEU 94 HD21 LEU 94 1.266 -2.423 1.266 804 HD22 LEU 94 HD22 LEU 94 -0.247 -2.474 0.357 805 HD23 LEU 94 HD23 LEU 94 1.191 -1.771 -0.374 806 H ASP 95 H ASP 95 5.497 -5.616 0.488 807 HA ASP 95 HA ASP 95 4.696 -7.738 2.153 808 HB2 ASP 95 HB2 ASP 95 6.839 -7.283 0.406 809 HB3 ASP 95 HB3 ASP 95 7.664 -7.305 1.944 810 H MET 96 H MET 96 6.829 -4.974 2.715 811 HA MET 96 HA MET 96 7.609 -5.414 5.369 812 HB2 MET 96 HB2 MET 96 8.760 -3.853 3.872 813 HB3 MET 96 HB3 MET 96 7.342 -2.825 3.794 814 HG2 MET 96 HG2 MET 96 8.917 -3.333 6.331 815 HG3 MET 96 HG3 MET 96 9.213 -1.975 5.252 816 HE1 MET 96 HE1 MET 96 7.450 -0.513 8.557 817 HE2 MET 96 HE2 MET 96 8.955 -0.544 7.637 818 HE3 MET 96 HE3 MET 96 8.430 -1.977 8.525 819 H VAL 97 H VAL 97 4.776 -3.654 4.074 820 HA VAL 97 HA VAL 97 3.658 -2.680 6.463 821 HB VAL 97 HB VAL 97 2.152 -3.680 3.994 822 HG11 VAL 97 HG11 VAL 97 1.202 -1.774 6.174 823 HG12 VAL 97 HG12 VAL 97 0.612 -3.411 5.891 824 HG13 VAL 97 HG13 VAL 97 0.318 -2.153 4.692 825 HG21 VAL 97 HG21 VAL 97 3.156 -0.871 4.621 826 HG22 VAL 97 HG22 VAL 97 2.206 -1.340 3.204 827 HG23 VAL 97 HG23 VAL 97 3.837 -1.972 3.421 828 H THR 98 H THR 98 3.215 -5.820 4.862 829 HA THR 98 HA THR 98 1.461 -7.034 6.742 830 HB THR 98 HB THR 98 3.437 -8.361 4.821 831 HG1 THR 98 HG1 THR 98 1.933 -7.109 3.698 832 HG21 THR 98 HG21 THR 98 1.978 -10.361 4.974 833 HG22 THR 98 HG22 THR 98 0.996 -9.560 6.200 834 HG23 THR 98 HG23 THR 98 2.678 -9.967 6.544 835 H ARG 99 H ARG 99 5.023 -6.952 6.502 836 HA ARG 99 HA ARG 99 5.603 -8.805 8.602 837 HB2 ARG 99 HB2 ARG 99 7.355 -6.651 7.348 838 HB3 ARG 99 HB3 ARG 99 7.944 -7.906 8.437 839 HG2 ARG 99 HG2 ARG 99 7.379 -9.641 6.814 840 HG3 ARG 99 HG3 ARG 99 6.649 -8.445 5.743 841 HD2 ARG 99 HD2 ARG 99 8.893 -7.338 5.537 842 HD3 ARG 99 HD3 ARG 99 9.588 -8.659 6.488 843 HE ARG 99 HE ARG 99 8.118 -9.596 4.220 844 HH11 ARG 99 HH11 ARG 99 11.219 -8.353 5.125 845 HH12 ARG 99 HH12 ARG 99 12.002 -9.061 3.757 846 HH21 ARG 99 HH21 ARG 99 9.124 -10.444 2.482 847 HH22 ARG 99 HH22 ARG 99 10.829 -10.231 2.277 848 H GLU 100 H GLU 100 5.181 -5.316 8.501 849 HA GLU 100 HA GLU 100 6.141 -4.706 11.114 850 HB2 GLU 100 HB2 GLU 100 6.061 -2.945 9.434 851 HB3 GLU 100 HB3 GLU 100 4.332 -3.156 9.221 852 HG2 GLU 100 HG2 GLU 100 4.655 -1.145 10.462 853 HG3 GLU 100 HG3 GLU 100 3.991 -2.334 11.574 854 H LEU 101 H LEU 101 2.905 -5.346 9.759 855 HA LEU 101 HA LEU 101 1.481 -5.064 12.217 856 HB2 LEU 101 HB2 LEU 101 0.644 -5.085 9.677 857 HB3 LEU 101 HB3 LEU 101 0.433 -6.797 9.973 858 HG LEU 101 HG LEU 101 -1.677 -5.523 10.260 859 HD11 LEU 101 HD11 LEU 101 -0.750 -6.683 12.900 860 HD12 LEU 101 HD12 LEU 101 -1.413 -7.595 11.543 861 HD13 LEU 101 HD13 LEU 101 -2.422 -6.428 12.389 862 HD21 LEU 101 HD21 LEU 101 -0.740 -3.382 10.997 863 HD22 LEU 101 HD22 LEU 101 -0.286 -4.092 12.549 864 HD23 LEU 101 HD23 LEU 101 -1.988 -3.941 12.109 865 H ASP 102 H ASP 102 2.977 -7.784 10.541 866 HA ASP 102 HA ASP 102 2.187 -9.939 12.162 867 HB2 ASP 102 HB2 ASP 102 3.338 -10.107 9.934 868 HB3 ASP 102 HB3 ASP 102 4.826 -9.549 10.681 869 H LYS 103 H LYS 103 4.780 -7.580 12.518 870 HA LYS 103 HA LYS 103 5.840 -8.691 14.986 871 HB2 LYS 103 HB2 LYS 103 7.311 -7.599 13.277 872 HB3 LYS 103 HB3 LYS 103 6.479 -6.073 13.546 873 HG2 LYS 103 HG2 LYS 103 8.636 -6.108 14.699 874 HG3 LYS 103 HG3 LYS 103 7.307 -6.006 15.858 875 HD2 LYS 103 HD2 LYS 103 7.515 -8.526 16.172 876 HD3 LYS 103 HD3 LYS 103 8.982 -8.462 15.190 877 HE2 LYS 103 HE2 LYS 103 9.516 -8.459 17.589 878 HE3 LYS 103 HE3 LYS 103 10.006 -6.935 16.846 879 HZ1 LYS 103 HZ1 LYS 103 8.910 -6.567 18.954 880 HZ2 LYS 103 HZ2 LYS 103 7.529 -7.384 18.425 881 HZ3 LYS 103 HZ3 LYS 103 7.975 -5.922 17.703 882 H LYS 104 H LYS 104 3.382 -6.404 14.082 883 HA LYS 104 HA LYS 104 3.453 -4.655 16.351 884 HB2 LYS 104 HB2 LYS 104 2.429 -4.190 14.019 885 HB3 LYS 104 HB3 LYS 104 1.041 -5.125 14.545 886 HG2 LYS 104 HG2 LYS 104 0.496 -2.815 14.846 887 HG3 LYS 104 HG3 LYS 104 0.755 -3.492 16.457 888 HD2 LYS 104 HD2 LYS 104 1.832 -1.321 16.353 889 HD3 LYS 104 HD3 LYS 104 3.089 -2.556 16.428 890 HE2 LYS 104 HE2 LYS 104 3.310 -2.379 13.918 891 HE3 LYS 104 HE3 LYS 104 2.179 -1.022 13.963 892 HZ1 LYS 104 HZ1 LYS 104 4.796 -1.138 15.362 893 HZ2 LYS 104 HZ2 LYS 104 3.736 0.183 15.352 894 HZ3 LYS 104 HZ3 LYS 104 4.493 -0.307 13.920 895 H VAL 105 H VAL 105 1.573 -7.556 15.541 896 HA VAL 105 HA VAL 105 -0.196 -7.548 17.765 897 HB VAL 105 HB VAL 105 -0.652 -9.920 17.247 898 HG11 VAL 105 HG11 VAL 105 -0.421 -8.232 14.724 899 HG12 VAL 105 HG12 VAL 105 -1.759 -8.199 15.874 900 HG13 VAL 105 HG13 VAL 105 -1.451 -9.653 14.923 901 HG21 VAL 105 HG21 VAL 105 0.560 -11.112 15.436 902 HG22 VAL 105 HG22 VAL 105 1.641 -10.704 16.769 903 HG23 VAL 105 HG23 VAL 105 1.676 -9.751 15.283 904 H SER 106 H SER 106 3.148 -8.493 17.466 905 HA SER 106 HA SER 106 3.263 -9.809 20.082 906 HB2 SER 106 HB2 SER 106 4.709 -10.650 18.238 907 HB3 SER 106 HB3 SER 106 5.515 -9.082 18.151 908 HG SER 106 HG SER 106 6.440 -10.934 19.500 909 H GLY 107 H GLY 107 2.672 -8.210 21.529 910 HA2 GLY 107 HA2 GLY 107 3.803 -6.646 23.113 911 HA3 GLY 107 HA3 GLY 107 4.316 -5.724 21.709 912 H SER 108 H SER 108 2.619 -4.963 24.071 913 HA SER 108 HA SER 108 -0.033 -4.439 22.918 914 HB2 SER 108 HB2 SER 108 0.059 -5.157 25.278 915 HB3 SER 108 HB3 SER 108 1.071 -3.772 25.685 916 HG SER 108 HG SER 108 -0.679 -2.619 25.851 917 H TYR 109 H TYR 109 0.368 -2.961 21.296 918 HA TYR 109 HA TYR 109 1.638 -0.365 21.877 919 HB2 TYR 109 HB2 TYR 109 0.833 -1.769 19.295 920 HB3 TYR 109 HB3 TYR 109 1.347 -0.083 19.320 921 HD1 TYR 109 HD1 TYR 109 2.493 -3.590 19.864 922 HD2 TYR 109 HD2 TYR 109 3.675 0.514 19.647 923 HE1 TYR 109 HE1 TYR 109 4.860 -4.267 19.818 924 HE2 TYR 109 HE2 TYR 109 6.031 -0.166 19.597 925 HH TYR 109 HH TYR 109 7.004 -3.450 19.199 926 H LEU 110 H LEU 110 -0.940 -0.939 23.062 927 HA LEU 110 HA LEU 110 -2.953 0.601 21.602 928 HB2 LEU 110 HB2 LEU 110 -3.041 -0.879 24.269 929 HB3 LEU 110 HB3 LEU 110 -4.391 0.045 23.638 930 HG LEU 110 HG LEU 110 -4.414 -1.509 21.617 931 HD11 LEU 110 HD11 LEU 110 -2.525 -3.210 23.274 932 HD12 LEU 110 HD12 LEU 110 -2.145 -2.414 21.747 933 HD13 LEU 110 HD13 LEU 110 -3.337 -3.709 21.786 934 HD21 LEU 110 HD21 LEU 110 -4.947 -2.781 24.325 935 HD22 LEU 110 HD22 LEU 110 -5.605 -3.325 22.780 936 HD23 LEU 110 HD23 LEU 110 -6.054 -1.747 23.417 937 H VAL 111 H VAL 111 -1.006 2.325 21.940 938 HA VAL 111 HA VAL 111 -1.648 4.018 24.289 939 HB VAL 111 HB VAL 111 0.614 5.100 23.945 940 HG11 VAL 111 HG11 VAL 111 1.929 3.295 25.012 941 HG12 VAL 111 HG12 VAL 111 0.692 2.120 24.561 942 HG13 VAL 111 HG13 VAL 111 0.307 3.408 25.703 943 HG21 VAL 111 HG21 VAL 111 1.125 2.770 22.036 944 HG22 VAL 111 HG22 VAL 111 2.340 3.925 22.595 945 HG23 VAL 111 HG23 VAL 111 1.006 4.472 21.579 946 HA PRO 112 HA PRO 112 -2.942 7.114 21.166 947 HB2 PRO 112 HB2 PRO 112 -3.723 9.082 22.850 948 HB3 PRO 112 HB3 PRO 112 -4.668 7.598 22.680 949 HG2 PRO 112 HG2 PRO 112 -2.687 8.342 24.833 950 HG3 PRO 112 HG3 PRO 112 -4.302 7.620 25.005 951 HD2 PRO 112 HD2 PRO 112 -1.969 6.151 25.064 952 HD3 PRO 112 HD3 PRO 112 -3.525 5.478 24.536 953 H ARG 113 H ARG 113 -0.314 7.211 23.345 954 HA ARG 113 HA ARG 113 0.825 9.708 22.202 955 HB2 ARG 113 HB2 ARG 113 1.579 8.353 24.833 956 HB3 ARG 113 HB3 ARG 113 2.166 9.907 24.249 957 HG2 ARG 113 HG2 ARG 113 -0.689 9.264 25.069 958 HG3 ARG 113 HG3 ARG 113 0.480 10.188 26.016 959 HD2 ARG 113 HD2 ARG 113 0.503 11.951 24.307 960 HD3 ARG 113 HD3 ARG 113 -0.595 11.007 23.291 961 HE ARG 113 HE ARG 113 -1.828 11.367 25.772 962 HH11 ARG 113 HH11 ARG 113 -0.857 13.368 23.105 963 HH12 ARG 113 HH12 ARG 113 -2.111 14.519 23.403 964 HH21 ARG 113 HH21 ARG 113 -3.414 12.846 26.093 965 HH22 ARG 113 HH22 ARG 113 -3.531 14.227 25.058 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -19.721 8.961 21.758 2 H2 MET 1 H2 MET 1 -18.166 8.976 22.416 3 H3 MET 1 H3 MET 1 -19.508 9.165 23.423 4 HA MET 1 HA MET 1 -18.540 6.974 23.592 5 HB2 MET 1 HB2 MET 1 -20.699 5.692 23.205 6 HB3 MET 1 HB3 MET 1 -20.851 7.149 24.171 7 HG2 MET 1 HG2 MET 1 -21.674 8.342 22.126 8 HG3 MET 1 HG3 MET 1 -21.663 6.793 21.284 9 HE1 MET 1 HE1 MET 1 -24.349 7.693 24.948 10 HE2 MET 1 HE2 MET 1 -23.156 8.817 24.313 11 HE3 MET 1 HE3 MET 1 -22.626 7.327 25.104 12 H GLY 2 H GLY 2 -17.572 5.265 22.643 13 HA2 GLY 2 HA2 GLY 2 -17.918 4.002 20.270 14 HA3 GLY 2 HA3 GLY 2 -16.963 5.412 19.810 15 H SER 3 H SER 3 -14.841 5.007 19.714 16 HA SER 3 HA SER 3 -12.840 4.006 19.820 17 HB2 SER 3 HB2 SER 3 -13.549 3.392 22.719 18 HB3 SER 3 HB3 SER 3 -11.935 3.298 22.016 19 HG SER 3 HG SER 3 -13.496 5.541 22.632 20 H HIS 4 H HIS 4 -14.194 1.651 22.118 21 HA HIS 4 HA HIS 4 -14.360 -0.581 22.141 22 HB2 HIS 4 HB2 HIS 4 -15.775 0.135 19.562 23 HB3 HIS 4 HB3 HIS 4 -15.710 -1.539 20.110 24 HD1 HIS 4 HD1 HIS 4 -16.781 -2.007 22.517 25 HD2 HIS 4 HD2 HIS 4 -17.759 1.645 20.793 26 HE1 HIS 4 HE1 HIS 4 -18.770 -1.181 23.794 27 HE2 HIS 4 HE2 HIS 4 -19.427 0.959 22.649 28 H GLN 5 H GLN 5 -12.605 -1.839 22.150 29 HA GLN 5 HA GLN 5 -10.583 -2.075 20.257 30 HB2 GLN 5 HB2 GLN 5 -9.973 -4.218 21.375 31 HB3 GLN 5 HB3 GLN 5 -10.261 -2.899 22.507 32 HG2 GLN 5 HG2 GLN 5 -12.507 -3.819 22.989 33 HG3 GLN 5 HG3 GLN 5 -12.194 -5.158 21.884 34 HE21 GLN 5 HE21 GLN 5 -10.673 -6.733 22.488 35 HE22 GLN 5 HE22 GLN 5 -10.174 -6.938 24.125 36 H GLU 6 H GLU 6 -13.705 -3.691 20.328 37 HA GLU 6 HA GLU 6 -13.385 -5.673 18.365 38 HB2 GLU 6 HB2 GLU 6 -15.930 -4.018 18.646 39 HB3 GLU 6 HB3 GLU 6 -15.778 -5.686 18.119 40 HG2 GLU 6 HG2 GLU 6 -16.528 -6.116 20.233 41 HG3 GLU 6 HG3 GLU 6 -14.823 -5.971 20.634 42 H TYR 7 H TYR 7 -14.547 -2.315 17.985 43 HA TYR 7 HA TYR 7 -14.758 -2.201 15.182 44 HB2 TYR 7 HB2 TYR 7 -15.834 -0.556 16.653 45 HB3 TYR 7 HB3 TYR 7 -14.272 0.024 17.213 46 HD1 TYR 7 HD1 TYR 7 -16.551 -0.097 14.246 47 HD2 TYR 7 HD2 TYR 7 -13.063 1.719 15.943 48 HE1 TYR 7 HE1 TYR 7 -16.556 1.606 12.464 49 HE2 TYR 7 HE2 TYR 7 -13.082 3.414 14.163 50 HH TYR 7 HH TYR 7 -15.717 3.950 12.145 51 H ILE 8 H ILE 8 -12.046 -1.433 17.335 52 HA ILE 8 HA ILE 8 -10.241 -0.389 15.418 53 HB ILE 8 HB ILE 8 -9.639 -1.788 18.063 54 HG12 ILE 8 HG12 ILE 8 -11.091 0.169 18.401 55 HG13 ILE 8 HG13 ILE 8 -9.480 0.533 19.002 56 HG21 ILE 8 HG21 ILE 8 -7.616 -1.733 16.676 57 HG22 ILE 8 HG22 ILE 8 -7.457 -0.608 18.024 58 HG23 ILE 8 HG23 ILE 8 -7.814 0.002 16.407 59 HD11 ILE 8 HD11 ILE 8 -10.654 1.481 16.385 60 HD12 ILE 8 HD12 ILE 8 -9.029 1.843 16.979 61 HD13 ILE 8 HD13 ILE 8 -10.440 2.431 17.856 62 H LYS 9 H LYS 9 -10.610 -3.707 16.698 63 HA LYS 9 HA LYS 9 -8.639 -4.989 15.132 64 HB2 LYS 9 HB2 LYS 9 -11.178 -6.041 16.423 65 HB3 LYS 9 HB3 LYS 9 -10.016 -7.090 15.615 66 HG2 LYS 9 HG2 LYS 9 -8.314 -6.603 17.239 67 HG3 LYS 9 HG3 LYS 9 -9.269 -5.298 17.948 68 HD2 LYS 9 HD2 LYS 9 -9.331 -7.310 19.372 69 HD3 LYS 9 HD3 LYS 9 -10.938 -6.920 18.754 70 HE2 LYS 9 HE2 LYS 9 -10.696 -8.694 17.031 71 HE3 LYS 9 HE3 LYS 9 -9.093 -9.085 17.658 72 HZ1 LYS 9 HZ1 LYS 9 -10.134 -9.669 19.771 73 HZ2 LYS 9 HZ2 LYS 9 -10.734 -10.602 18.499 74 HZ3 LYS 9 HZ3 LYS 9 -11.661 -9.335 19.126 75 H LYS 10 H LYS 10 -12.003 -4.134 14.415 76 HA LYS 10 HA LYS 10 -12.299 -5.570 11.981 77 HB2 LYS 10 HB2 LYS 10 -13.644 -3.009 12.930 78 HB3 LYS 10 HB3 LYS 10 -14.100 -3.864 11.456 79 HG2 LYS 10 HG2 LYS 10 -14.780 -5.817 12.745 80 HG3 LYS 10 HG3 LYS 10 -14.212 -5.075 14.240 81 HD2 LYS 10 HD2 LYS 10 -16.682 -4.932 14.014 82 HD3 LYS 10 HD3 LYS 10 -15.934 -3.333 14.078 83 HE2 LYS 10 HE2 LYS 10 -17.706 -3.419 12.364 84 HE3 LYS 10 HE3 LYS 10 -16.134 -3.132 11.625 85 HZ1 LYS 10 HZ1 LYS 10 -16.039 -5.498 11.073 86 HZ2 LYS 10 HZ2 LYS 10 -17.365 -4.732 10.364 87 HZ3 LYS 10 HZ3 LYS 10 -17.586 -5.716 11.720 88 H VAL 11 H VAL 11 -11.335 -2.138 12.570 89 HA VAL 11 HA VAL 11 -10.811 -1.419 9.886 90 HB VAL 11 HB VAL 11 -9.511 -0.295 12.416 91 HG11 VAL 11 HG11 VAL 11 -8.216 0.361 10.419 92 HG12 VAL 11 HG12 VAL 11 -9.065 1.758 11.079 93 HG13 VAL 11 HG13 VAL 11 -9.685 0.952 9.636 94 HG21 VAL 11 HG21 VAL 11 -11.254 1.465 12.315 95 HG22 VAL 11 HG22 VAL 11 -11.976 -0.136 12.492 96 HG23 VAL 11 HG23 VAL 11 -11.986 0.666 10.919 97 H THR 12 H THR 12 -8.728 -2.844 12.358 98 HA THR 12 HA THR 12 -6.278 -2.954 10.957 99 HB THR 12 HB THR 12 -7.322 -4.818 13.140 100 HG1 THR 12 HG1 THR 12 -7.064 -3.049 14.270 101 HG21 THR 12 HG21 THR 12 -4.451 -4.380 12.218 102 HG22 THR 12 HG22 THR 12 -5.394 -5.853 11.980 103 HG23 THR 12 HG23 THR 12 -4.945 -5.348 13.611 104 H ASP 13 H ASP 13 -9.068 -5.185 11.029 105 HA ASP 13 HA ASP 13 -7.777 -7.215 9.434 106 HB2 ASP 13 HB2 ASP 13 -9.693 -7.499 11.214 107 HB3 ASP 13 HB3 ASP 13 -10.777 -7.107 9.878 108 H GLU 14 H GLU 14 -9.915 -4.500 8.768 109 HA GLU 14 HA GLU 14 -10.484 -4.982 6.013 110 HB2 GLU 14 HB2 GLU 14 -10.354 -2.382 7.605 111 HB3 GLU 14 HB3 GLU 14 -10.934 -2.479 5.942 112 HG2 GLU 14 HG2 GLU 14 -12.811 -3.870 6.623 113 HG3 GLU 14 HG3 GLU 14 -12.186 -3.978 8.266 114 H LEU 15 H LEU 15 -7.742 -3.621 7.711 115 HA LEU 15 HA LEU 15 -6.254 -2.628 5.535 116 HB2 LEU 15 HB2 LEU 15 -5.668 -2.028 7.769 117 HB3 LEU 15 HB3 LEU 15 -5.474 -3.690 8.261 118 HG LEU 15 HG LEU 15 -3.566 -2.618 6.174 119 HD11 LEU 15 HD11 LEU 15 -2.059 -1.709 7.895 120 HD12 LEU 15 HD12 LEU 15 -3.282 -1.998 9.136 121 HD13 LEU 15 HD13 LEU 15 -3.585 -0.825 7.853 122 HD21 LEU 15 HD21 LEU 15 -3.176 -4.540 8.505 123 HD22 LEU 15 HD22 LEU 15 -1.961 -4.129 7.290 124 HD23 LEU 15 HD23 LEU 15 -3.420 -5.000 6.817 125 H LYS 16 H LYS 16 -6.658 -5.974 6.742 126 HA LYS 16 HA LYS 16 -4.703 -7.207 5.032 127 HB2 LYS 16 HB2 LYS 16 -7.166 -8.370 6.392 128 HB3 LYS 16 HB3 LYS 16 -6.123 -9.333 5.364 129 HG2 LYS 16 HG2 LYS 16 -5.577 -9.765 7.658 130 HG3 LYS 16 HG3 LYS 16 -4.223 -8.925 6.899 131 HD2 LYS 16 HD2 LYS 16 -4.660 -6.915 8.069 132 HD3 LYS 16 HD3 LYS 16 -6.310 -7.390 8.460 133 HE2 LYS 16 HE2 LYS 16 -3.808 -8.636 9.636 134 HE3 LYS 16 HE3 LYS 16 -4.849 -7.460 10.440 135 HZ1 LYS 16 HZ1 LYS 16 -5.586 -10.209 9.607 136 HZ2 LYS 16 HZ2 LYS 16 -6.690 -9.079 10.198 137 HZ3 LYS 16 HZ3 LYS 16 -5.432 -9.631 11.188 138 H GLU 17 H GLU 17 -8.217 -6.632 4.685 139 HA GLU 17 HA GLU 17 -8.677 -7.630 2.104 140 HB2 GLU 17 HB2 GLU 17 -10.525 -6.861 3.514 141 HB3 GLU 17 HB3 GLU 17 -9.906 -5.212 3.492 142 HG2 GLU 17 HG2 GLU 17 -10.417 -5.033 1.089 143 HG3 GLU 17 HG3 GLU 17 -10.971 -6.709 1.069 144 H LEU 18 H LEU 18 -7.372 -4.586 3.165 145 HA LEU 18 HA LEU 18 -7.293 -3.285 0.642 146 HB2 LEU 18 HB2 LEU 18 -7.162 -2.456 3.232 147 HB3 LEU 18 HB3 LEU 18 -5.452 -2.432 2.862 148 HG LEU 18 HG LEU 18 -5.755 -0.753 1.141 149 HD11 LEU 18 HD11 LEU 18 -8.741 -1.129 1.531 150 HD12 LEU 18 HD12 LEU 18 -7.786 -1.582 0.115 151 HD13 LEU 18 HD13 LEU 18 -7.981 0.117 0.532 152 HD21 LEU 18 HD21 LEU 18 -6.698 1.122 2.440 153 HD22 LEU 18 HD22 LEU 18 -5.678 0.104 3.453 154 HD23 LEU 18 HD23 LEU 18 -7.436 -0.017 3.573 155 H ILE 19 H ILE 19 -4.824 -4.961 2.593 156 HA ILE 19 HA ILE 19 -2.615 -4.795 0.863 157 HB ILE 19 HB ILE 19 -3.434 -6.871 2.947 158 HG12 ILE 19 HG12 ILE 19 -1.240 -4.745 2.994 159 HG13 ILE 19 HG13 ILE 19 -2.805 -4.608 3.786 160 HG21 ILE 19 HG21 ILE 19 -2.045 -8.120 1.375 161 HG22 ILE 19 HG22 ILE 19 -1.150 -7.849 2.870 162 HG23 ILE 19 HG23 ILE 19 -0.794 -6.876 1.443 163 HD11 ILE 19 HD11 ILE 19 -0.672 -6.643 4.461 164 HD12 ILE 19 HD12 ILE 19 -2.227 -6.448 5.278 165 HD13 ILE 19 HD13 ILE 19 -1.022 -5.163 5.355 166 H GLN 20 H GLN 20 -5.237 -7.198 1.018 167 HA GLN 20 HA GLN 20 -4.294 -8.990 -0.951 168 HB2 GLN 20 HB2 GLN 20 -5.999 -9.642 0.687 169 HB3 GLN 20 HB3 GLN 20 -7.119 -8.443 0.057 170 HG2 GLN 20 HG2 GLN 20 -7.746 -10.697 -0.668 171 HG3 GLN 20 HG3 GLN 20 -7.312 -9.691 -2.049 172 HE21 GLN 20 HE21 GLN 20 -6.864 -11.476 -3.353 173 HE22 GLN 20 HE22 GLN 20 -5.473 -12.472 -3.114 174 H ASN 21 H ASN 21 -6.549 -6.220 -1.194 175 HA ASN 21 HA ASN 21 -7.185 -6.643 -3.948 176 HB2 ASN 21 HB2 ASN 21 -8.645 -5.354 -2.304 177 HB3 ASN 21 HB3 ASN 21 -7.506 -4.019 -2.420 178 HD21 ASN 21 HD21 ASN 21 -8.440 -6.055 -5.180 179 HD22 ASN 21 HD22 ASN 21 -9.303 -4.824 -6.011 180 H VAL 22 H VAL 22 -5.079 -4.224 -2.315 181 HA VAL 22 HA VAL 22 -3.984 -2.943 -4.537 182 HB VAL 22 HB VAL 22 -2.774 -3.448 -1.782 183 HG11 VAL 22 HG11 VAL 22 -0.849 -3.156 -3.262 184 HG12 VAL 22 HG12 VAL 22 -1.061 -1.698 -2.294 185 HG13 VAL 22 HG13 VAL 22 -1.575 -1.716 -3.988 186 HG21 VAL 22 HG21 VAL 22 -4.720 -1.961 -1.845 187 HG22 VAL 22 HG22 VAL 22 -3.936 -0.954 -3.064 188 HG23 VAL 22 HG23 VAL 22 -3.265 -1.051 -1.433 189 H ASN 23 H ASN 23 -2.540 -5.724 -2.765 190 HA ASN 23 HA ASN 23 -0.317 -6.082 -4.420 191 HB2 ASN 23 HB2 ASN 23 -1.759 -7.948 -2.535 192 HB3 ASN 23 HB3 ASN 23 -0.415 -8.545 -3.495 193 HD21 ASN 23 HD21 ASN 23 -0.667 -8.218 -0.602 194 HD22 ASN 23 HD22 ASN 23 0.653 -7.213 -0.121 195 H ASP 24 H ASP 24 -3.614 -7.378 -4.782 196 HA ASP 24 HA ASP 24 -2.945 -9.089 -6.994 197 HB2 ASP 24 HB2 ASP 24 -4.947 -9.411 -5.450 198 HB3 ASP 24 HB3 ASP 24 -5.721 -8.059 -6.285 199 H ASP 25 H ASP 25 -4.153 -5.743 -6.712 200 HA ASP 25 HA ASP 25 -4.420 -5.153 -9.466 201 HB2 ASP 25 HB2 ASP 25 -3.739 -3.398 -7.079 202 HB3 ASP 25 HB3 ASP 25 -3.884 -2.729 -8.696 203 H ILE 26 H ILE 26 -1.591 -5.071 -7.293 204 HA ILE 26 HA ILE 26 0.315 -4.117 -9.179 205 HB ILE 26 HB ILE 26 0.922 -5.853 -6.734 206 HG12 ILE 26 HG12 ILE 26 0.939 -2.803 -6.859 207 HG13 ILE 26 HG13 ILE 26 -0.354 -3.745 -6.143 208 HG21 ILE 26 HG21 ILE 26 2.808 -5.696 -8.312 209 HG22 ILE 26 HG22 ILE 26 3.175 -4.816 -6.830 210 HG23 ILE 26 HG23 ILE 26 2.708 -3.932 -8.285 211 HD11 ILE 26 HD11 ILE 26 1.099 -2.875 -4.435 212 HD12 ILE 26 HD12 ILE 26 2.505 -3.615 -5.196 213 HD13 ILE 26 HD13 ILE 26 1.248 -4.632 -4.483 214 H LYS 27 H LYS 27 -0.840 -7.372 -8.322 215 HA LYS 27 HA LYS 27 0.987 -8.912 -9.867 216 HB2 LYS 27 HB2 LYS 27 -1.819 -9.483 -8.862 217 HB3 LYS 27 HB3 LYS 27 -0.894 -10.678 -9.763 218 HG2 LYS 27 HG2 LYS 27 0.757 -10.833 -8.037 219 HG3 LYS 27 HG3 LYS 27 0.119 -9.421 -7.203 220 HD2 LYS 27 HD2 LYS 27 -0.512 -11.439 -5.993 221 HD3 LYS 27 HD3 LYS 27 -1.954 -10.674 -6.655 222 HE2 LYS 27 HE2 LYS 27 -0.576 -12.993 -8.048 223 HE3 LYS 27 HE3 LYS 27 -1.803 -13.239 -6.812 224 HZ1 LYS 27 HZ1 LYS 27 -2.767 -13.352 -8.991 225 HZ2 LYS 27 HZ2 LYS 27 -2.181 -11.823 -9.391 226 HZ3 LYS 27 HZ3 LYS 27 -3.360 -11.982 -8.194 227 H GLU 28 H GLU 28 -2.120 -7.418 -10.633 228 HA GLU 28 HA GLU 28 -2.289 -8.218 -13.359 229 HB2 GLU 28 HB2 GLU 28 -3.472 -5.863 -11.852 230 HB3 GLU 28 HB3 GLU 28 -3.860 -6.228 -13.530 231 HG2 GLU 28 HG2 GLU 28 -4.355 -8.119 -11.209 232 HG3 GLU 28 HG3 GLU 28 -5.559 -7.009 -11.866 233 H VAL 29 H VAL 29 -0.594 -5.560 -11.737 234 HA VAL 29 HA VAL 29 0.269 -4.218 -14.118 235 HB VAL 29 HB VAL 29 1.552 -4.156 -11.346 236 HG11 VAL 29 HG11 VAL 29 2.623 -2.091 -12.096 237 HG12 VAL 29 HG12 VAL 29 1.878 -2.243 -13.680 238 HG13 VAL 29 HG13 VAL 29 3.080 -3.424 -13.147 239 HG21 VAL 29 HG21 VAL 29 -0.450 -2.212 -12.567 240 HG22 VAL 29 HG22 VAL 29 0.394 -1.986 -11.030 241 HG23 VAL 29 HG23 VAL 29 -0.752 -3.312 -11.221 242 H GLU 30 H GLU 30 1.660 -6.852 -12.128 243 HA GLU 30 HA GLU 30 4.297 -6.841 -13.113 244 HB2 GLU 30 HB2 GLU 30 2.659 -9.167 -12.020 245 HB3 GLU 30 HB3 GLU 30 4.393 -9.254 -12.332 246 HG2 GLU 30 HG2 GLU 30 4.790 -7.484 -10.672 247 HG3 GLU 30 HG3 GLU 30 3.061 -7.357 -10.375 248 H LYS 31 H LYS 31 1.367 -8.213 -14.509 249 HA LYS 31 HA LYS 31 2.814 -9.432 -16.745 250 HB2 LYS 31 HB2 LYS 31 0.610 -10.211 -17.502 251 HB3 LYS 31 HB3 LYS 31 0.874 -10.618 -15.809 252 HG2 LYS 31 HG2 LYS 31 -0.518 -8.586 -15.201 253 HG3 LYS 31 HG3 LYS 31 -0.904 -8.420 -16.912 254 HD2 LYS 31 HD2 LYS 31 -2.756 -9.600 -16.082 255 HD3 LYS 31 HD3 LYS 31 -1.752 -10.890 -16.741 256 HE2 LYS 31 HE2 LYS 31 -1.910 -10.098 -13.806 257 HE3 LYS 31 HE3 LYS 31 -2.720 -11.479 -14.535 258 HZ1 LYS 31 HZ1 LYS 31 0.200 -11.076 -14.256 259 HZ2 LYS 31 HZ2 LYS 31 -0.508 -12.365 -15.084 260 HZ3 LYS 31 HZ3 LYS 31 -0.761 -12.188 -13.423 261 H ASN 32 H ASN 32 0.812 -6.549 -16.102 262 HA ASN 32 HA ASN 32 1.423 -5.461 -18.800 263 HB2 ASN 32 HB2 ASN 32 -1.242 -5.245 -17.321 264 HB3 ASN 32 HB3 ASN 32 -0.856 -4.419 -18.829 265 HD21 ASN 32 HD21 ASN 32 -2.894 -6.524 -18.081 266 HD22 ASN 32 HD22 ASN 32 -2.675 -7.765 -19.262 267 HA PRO 33 HA PRO 33 3.172 -3.039 -15.305 268 HB2 PRO 33 HB2 PRO 33 5.273 -1.838 -16.608 269 HB3 PRO 33 HB3 PRO 33 5.287 -3.532 -16.101 270 HG2 PRO 33 HG2 PRO 33 4.650 -2.371 -18.814 271 HG3 PRO 33 HG3 PRO 33 5.692 -3.755 -18.413 272 HD2 PRO 33 HD2 PRO 33 3.148 -4.092 -19.294 273 HD3 PRO 33 HD3 PRO 33 3.876 -5.198 -18.107 274 H GLU 34 H GLU 34 2.460 -1.470 -18.405 275 HA GLU 34 HA GLU 34 2.676 1.219 -17.308 276 HB2 GLU 34 HB2 GLU 34 1.988 0.240 -20.107 277 HB3 GLU 34 HB3 GLU 34 2.260 1.925 -19.659 278 HG2 GLU 34 HG2 GLU 34 4.586 1.395 -19.035 279 HG3 GLU 34 HG3 GLU 34 4.318 -0.299 -19.455 280 H ASP 35 H ASP 35 0.258 -0.907 -16.898 281 HA ASP 35 HA ASP 35 -2.024 0.644 -17.726 282 HB2 ASP 35 HB2 ASP 35 -1.974 -1.900 -17.340 283 HB3 ASP 35 HB3 ASP 35 -2.051 -1.554 -15.616 284 H MET 36 H MET 36 -2.225 2.596 -16.871 285 HA MET 36 HA MET 36 -1.189 3.384 -14.313 286 HB2 MET 36 HB2 MET 36 -2.763 4.927 -16.403 287 HB3 MET 36 HB3 MET 36 -2.010 5.629 -14.995 288 HG2 MET 36 HG2 MET 36 -0.440 4.143 -17.114 289 HG3 MET 36 HG3 MET 36 -0.755 5.877 -17.179 290 HE1 MET 36 HE1 MET 36 2.286 3.779 -14.446 291 HE2 MET 36 HE2 MET 36 1.686 3.184 -15.994 292 HE3 MET 36 HE3 MET 36 0.648 3.138 -14.567 293 H GLU 37 H GLU 37 -4.352 2.487 -15.488 294 HA GLU 37 HA GLU 37 -5.888 3.580 -13.330 295 HB2 GLU 37 HB2 GLU 37 -6.565 1.286 -15.219 296 HB3 GLU 37 HB3 GLU 37 -7.694 2.004 -14.067 297 HG2 GLU 37 HG2 GLU 37 -7.330 4.219 -15.241 298 HG3 GLU 37 HG3 GLU 37 -6.426 3.341 -16.473 299 H TYR 38 H TYR 38 -4.362 0.376 -13.842 300 HA TYR 38 HA TYR 38 -5.116 -0.795 -11.369 301 HB2 TYR 38 HB2 TYR 38 -2.784 -1.282 -13.247 302 HB3 TYR 38 HB3 TYR 38 -2.844 -2.133 -11.710 303 HD1 TYR 38 HD2 TYR 38 -5.887 -2.595 -11.584 304 HD2 TYR 38 HD1 TYR 38 -3.071 -3.116 -14.763 305 HE1 TYR 38 HE2 TYR 38 -7.354 -4.277 -12.619 306 HE2 TYR 38 HE1 TYR 38 -4.542 -4.789 -15.788 307 HH TYR 38 HH TYR 38 -6.363 -6.387 -14.977 308 H TRP 39 H TRP 39 -2.318 1.238 -12.248 309 HA TRP 39 HA TRP 39 -1.183 1.317 -9.646 310 HB2 TRP 39 HB2 TRP 39 -0.792 2.992 -12.135 311 HB3 TRP 39 HB3 TRP 39 -0.031 3.474 -10.621 312 HD1 TRP 39 HD1 TRP 39 0.784 1.510 -13.585 313 HE1 TRP 39 HE1 TRP 39 2.727 -0.101 -13.130 314 HE3 TRP 39 HE3 TRP 39 0.821 1.670 -8.469 315 HZ2 TRP 39 HZ2 TRP 39 4.064 -1.209 -10.905 316 HZ3 TRP 39 HZ3 TRP 39 2.451 0.289 -7.257 317 HH2 TRP 39 HH2 TRP 39 4.045 -1.125 -8.453 318 H ASN 40 H ASN 40 -3.752 3.270 -11.128 319 HA ASN 40 HA ASN 40 -3.821 5.310 -9.158 320 HB2 ASN 40 HB2 ASN 40 -4.840 5.459 -11.448 321 HB3 ASN 40 HB3 ASN 40 -6.058 4.292 -10.955 322 HD21 ASN 40 HD21 ASN 40 -7.665 5.799 -11.379 323 HD22 ASN 40 HD22 ASN 40 -7.966 7.115 -10.333 324 H LYS 41 H LYS 41 -5.540 2.206 -9.541 325 HA LYS 41 HA LYS 41 -7.152 2.119 -7.273 326 HB2 LYS 41 HB2 LYS 41 -5.542 -0.042 -8.687 327 HB3 LYS 41 HB3 LYS 41 -6.572 -0.431 -7.320 328 HG2 LYS 41 HG2 LYS 41 -7.578 0.892 -9.859 329 HG3 LYS 41 HG3 LYS 41 -7.569 -0.858 -9.593 330 HD2 LYS 41 HD2 LYS 41 -9.129 1.232 -8.012 331 HD3 LYS 41 HD3 LYS 41 -9.789 -0.007 -9.085 332 HE2 LYS 41 HE2 LYS 41 -8.422 -0.451 -6.401 333 HE3 LYS 41 HE3 LYS 41 -10.127 -0.698 -6.773 334 HZ1 LYS 41 HZ1 LYS 41 -9.519 -2.507 -8.228 335 HZ2 LYS 41 HZ2 LYS 41 -8.872 -2.772 -6.692 336 HZ3 LYS 41 HZ3 LYS 41 -7.873 -2.248 -7.947 337 H ILE 42 H ILE 42 -3.817 0.957 -7.579 338 HA ILE 42 HA ILE 42 -3.238 0.290 -4.933 339 HB ILE 42 HB ILE 42 -1.416 1.271 -7.178 340 HG12 ILE 42 HG12 ILE 42 -1.833 -1.614 -6.280 341 HG13 ILE 42 HG13 ILE 42 -2.893 -0.864 -7.466 342 HG21 ILE 42 HG21 ILE 42 -0.197 1.522 -5.061 343 HG22 ILE 42 HG22 ILE 42 0.475 0.182 -5.991 344 HG23 ILE 42 HG23 ILE 42 -0.581 -0.143 -4.615 345 HD11 ILE 42 HD11 ILE 42 -1.189 -2.223 -8.510 346 HD12 ILE 42 HD12 ILE 42 0.078 -1.249 -7.765 347 HD13 ILE 42 HD13 ILE 42 -1.005 -0.528 -8.960 348 H TYR 43 H TYR 43 -2.793 3.387 -6.623 349 HA TYR 43 HA TYR 43 -1.445 4.838 -4.627 350 HB2 TYR 43 HB2 TYR 43 -1.570 5.444 -7.040 351 HB3 TYR 43 HB3 TYR 43 -3.268 5.847 -6.852 352 HD1 TYR 43 HD2 TYR 43 0.165 6.830 -5.717 353 HD2 TYR 43 HD1 TYR 43 -3.895 8.079 -6.223 354 HE1 TYR 43 HE2 TYR 43 0.806 9.148 -5.210 355 HE2 TYR 43 HE1 TYR 43 -3.242 10.398 -5.720 356 HH TYR 43 HH TYR 43 -0.011 11.420 -5.660 357 H ARG 44 H ARG 44 -4.941 4.598 -5.348 358 HA ARG 44 HA ARG 44 -5.833 6.500 -3.397 359 HB2 ARG 44 HB2 ARG 44 -7.328 4.326 -4.917 360 HB3 ARG 44 HB3 ARG 44 -8.126 5.508 -3.879 361 HG2 ARG 44 HG2 ARG 44 -7.413 7.332 -5.326 362 HG3 ARG 44 HG3 ARG 44 -6.456 6.225 -6.314 363 HD2 ARG 44 HD2 ARG 44 -8.566 6.778 -7.432 364 HD3 ARG 44 HD3 ARG 44 -8.512 5.061 -7.021 365 HE ARG 44 HE ARG 44 -9.825 6.489 -4.960 366 HH11 ARG 44 HH11 ARG 44 -10.400 5.440 -8.202 367 HH12 ARG 44 HH12 ARG 44 -12.115 5.422 -7.991 368 HH21 ARG 44 HH21 ARG 44 -12.000 6.440 -4.722 369 HH22 ARG 44 HH22 ARG 44 -13.004 5.969 -6.049 370 H LEU 45 H LEU 45 -5.541 2.965 -3.386 371 HA LEU 45 HA LEU 45 -6.883 2.594 -0.855 372 HB2 LEU 45 HB2 LEU 45 -5.161 0.676 -2.456 373 HB3 LEU 45 HB3 LEU 45 -6.196 0.231 -1.107 374 HG LEU 45 HG LEU 45 -7.191 1.359 -3.759 375 HD11 LEU 45 HD11 LEU 45 -7.251 -1.512 -2.784 376 HD12 LEU 45 HD12 LEU 45 -6.235 -0.864 -4.074 377 HD13 LEU 45 HD13 LEU 45 -7.984 -0.900 -4.271 378 HD21 LEU 45 HD21 LEU 45 -9.435 0.735 -2.995 379 HD22 LEU 45 HD22 LEU 45 -8.701 1.903 -1.902 380 HD23 LEU 45 HD23 LEU 45 -8.781 0.198 -1.446 381 H VAL 46 H VAL 46 -3.472 2.692 -1.903 382 HA VAL 46 HA VAL 46 -2.261 2.255 0.641 383 HB VAL 46 HB VAL 46 -1.218 3.531 -1.920 384 HG11 VAL 46 HG11 VAL 46 0.017 4.645 -0.124 385 HG12 VAL 46 HG12 VAL 46 1.079 3.490 -0.931 386 HG13 VAL 46 HG13 VAL 46 0.369 3.093 0.636 387 HG21 VAL 46 HG21 VAL 46 -0.528 0.897 -0.547 388 HG22 VAL 46 HG22 VAL 46 0.150 1.473 -2.075 389 HG23 VAL 46 HG23 VAL 46 -1.567 1.080 -1.964 390 H HIS 47 H HIS 47 -3.433 5.179 -0.991 391 HA HIS 47 HA HIS 47 -2.674 7.181 0.817 392 HB2 HIS 47 HB2 HIS 47 -3.765 7.711 -1.307 393 HB3 HIS 47 HB3 HIS 47 -5.228 6.872 -0.821 394 HD1 HIS 47 HD1 HIS 47 -6.911 8.173 0.610 395 HD2 HIS 47 HD2 HIS 47 -3.419 10.290 -0.136 396 HE1 HIS 47 HE1 HIS 47 -7.402 10.535 1.281 397 HE2 HIS 47 HE2 HIS 47 -5.312 11.809 0.735 398 H THR 48 H THR 48 -5.394 4.871 0.964 399 HA THR 48 HA THR 48 -6.518 5.837 3.417 400 HB THR 48 HB THR 48 -6.874 3.139 2.048 401 HG1 THR 48 HG1 THR 48 -8.642 5.373 2.130 402 HG21 THR 48 HG21 THR 48 -8.510 4.377 4.302 403 HG22 THR 48 HG22 THR 48 -7.491 2.940 4.433 404 HG23 THR 48 HG23 THR 48 -8.935 2.911 3.419 405 H MET 49 H MET 49 -4.211 3.189 2.645 406 HA MET 49 HA MET 49 -3.864 2.077 5.205 407 HB2 MET 49 HB2 MET 49 -1.791 2.415 2.998 408 HB3 MET 49 HB3 MET 49 -1.585 1.375 4.405 409 HG2 MET 49 HG2 MET 49 -3.467 0.003 3.675 410 HG3 MET 49 HG3 MET 49 -3.716 1.068 2.289 411 HE1 MET 49 HE1 MET 49 -2.302 -2.126 0.580 412 HE2 MET 49 HE2 MET 49 -3.671 -1.014 0.729 413 HE3 MET 49 HE3 MET 49 -3.293 -2.141 2.037 414 H LYS 50 H LYS 50 -2.281 4.871 3.713 415 HA LYS 50 HA LYS 50 -0.342 5.430 5.663 416 HB2 LYS 50 HB2 LYS 50 -0.363 6.415 3.372 417 HB3 LYS 50 HB3 LYS 50 -1.754 7.393 3.814 418 HG2 LYS 50 HG2 LYS 50 -0.383 8.553 5.538 419 HG3 LYS 50 HG3 LYS 50 1.015 7.584 5.063 420 HD2 LYS 50 HD2 LYS 50 1.158 9.797 4.031 421 HD3 LYS 50 HD3 LYS 50 0.914 8.576 2.782 422 HE2 LYS 50 HE2 LYS 50 -0.473 10.536 2.319 423 HE3 LYS 50 HE3 LYS 50 -1.504 9.161 2.705 424 HZ1 LYS 50 HZ1 LYS 50 -2.271 11.156 3.791 425 HZ2 LYS 50 HZ2 LYS 50 -0.778 11.360 4.556 426 HZ3 LYS 50 HZ3 LYS 50 -1.748 10.039 4.948 427 H GLU 51 H GLU 51 -3.590 6.897 5.201 428 HA GLU 51 HA GLU 51 -3.455 8.564 7.497 429 HB2 GLU 51 HB2 GLU 51 -5.859 8.984 7.170 430 HB3 GLU 51 HB3 GLU 51 -4.946 9.135 5.677 431 HG2 GLU 51 HG2 GLU 51 -5.720 6.805 5.082 432 HG3 GLU 51 HG3 GLU 51 -6.783 6.864 6.486 433 H ILE 52 H ILE 52 -4.608 5.216 7.130 434 HA ILE 52 HA ILE 52 -5.802 4.860 9.662 435 HB ILE 52 HB ILE 52 -4.295 2.859 7.918 436 HG12 ILE 52 HG12 ILE 52 -7.295 3.211 8.400 437 HG13 ILE 52 HG13 ILE 52 -6.431 3.777 6.977 438 HG21 ILE 52 HG21 ILE 52 -5.918 2.223 10.416 439 HG22 ILE 52 HG22 ILE 52 -4.176 2.024 10.229 440 HG23 ILE 52 HG23 ILE 52 -5.280 1.028 9.284 441 HD11 ILE 52 HD11 ILE 52 -5.907 1.456 6.375 442 HD12 ILE 52 HD12 ILE 52 -7.643 1.730 6.511 443 HD13 ILE 52 HD13 ILE 52 -6.783 0.892 7.802 444 H THR 53 H THR 53 -2.373 4.222 8.716 445 HA THR 53 HA THR 53 -1.511 3.623 11.376 446 HB THR 53 HB THR 53 -0.195 2.639 9.642 447 HG1 THR 53 HG1 THR 53 1.475 4.666 10.637 448 HG21 THR 53 HG21 THR 53 1.183 3.908 8.055 449 HG22 THR 53 HG22 THR 53 0.506 5.418 8.674 450 HG23 THR 53 HG23 THR 53 -0.532 4.271 7.822 451 H GLU 54 H GLU 54 -1.621 6.685 9.580 452 HA GLU 54 HA GLU 54 -0.075 8.308 11.318 453 HB2 GLU 54 HB2 GLU 54 -2.534 9.035 9.683 454 HB3 GLU 54 HB3 GLU 54 -1.513 10.219 10.505 455 HG2 GLU 54 HG2 GLU 54 0.424 9.449 9.137 456 HG3 GLU 54 HG3 GLU 54 -0.656 8.390 8.245 457 H THR 55 H THR 55 -3.505 7.476 11.334 458 HA THR 55 HA THR 55 -4.293 8.897 13.653 459 HB THR 55 HB THR 55 -5.572 6.403 12.434 460 HG1 THR 55 HG1 THR 55 -6.134 7.694 10.854 461 HG21 THR 55 HG21 THR 55 -6.474 6.955 14.665 462 HG22 THR 55 HG22 THR 55 -7.663 7.273 13.401 463 HG23 THR 55 HG23 THR 55 -6.773 8.612 14.130 464 H MET 56 H MET 56 -2.984 5.644 13.155 465 HA MET 56 HA MET 56 -3.174 4.775 15.900 466 HB2 MET 56 HB2 MET 56 -1.588 3.703 13.529 467 HB3 MET 56 HB3 MET 56 -1.585 2.938 15.113 468 HG2 MET 56 HG2 MET 56 -4.036 2.595 14.930 469 HG3 MET 56 HG3 MET 56 -3.992 3.302 13.312 470 HE1 MET 56 HE1 MET 56 -4.531 -0.636 12.810 471 HE2 MET 56 HE2 MET 56 -5.272 0.949 12.593 472 HE3 MET 56 HE3 MET 56 -5.072 0.282 14.214 473 H GLY 57 H GLY 57 -1.088 6.988 14.361 474 HA2 GLY 57 HA2 GLY 57 0.379 8.412 15.519 475 HA3 GLY 57 HA3 GLY 57 0.544 7.219 16.794 476 H PHE 58 H PHE 58 0.958 5.578 13.935 477 HA PHE 58 HA PHE 58 3.859 5.442 14.254 478 HB2 PHE 58 HB2 PHE 58 1.887 3.879 12.557 479 HB3 PHE 58 HB3 PHE 58 3.598 3.531 12.585 480 HD1 PHE 58 HD2 PHE 58 4.621 2.941 14.942 481 HD2 PHE 58 HD1 PHE 58 0.432 2.848 14.084 482 HE1 PHE 58 HE2 PHE 58 4.242 1.496 16.898 483 HE2 PHE 58 HE1 PHE 58 0.057 1.404 16.038 484 HZ PHE 58 HZ PHE 58 1.965 0.730 17.452 485 H SER 59 H SER 59 4.358 7.573 13.478 486 HA SER 59 HA SER 59 3.842 8.483 10.815 487 HB2 SER 59 HB2 SER 59 6.056 9.308 12.747 488 HB3 SER 59 HB3 SER 59 5.623 10.172 11.272 489 HG SER 59 HG SER 59 3.524 9.676 13.008 490 H SER 60 H SER 60 6.237 6.393 12.211 491 HA SER 60 HA SER 60 8.223 6.388 10.167 492 HB2 SER 60 HB2 SER 60 8.946 4.240 11.297 493 HB3 SER 60 HB3 SER 60 8.730 5.589 12.416 494 HG SER 60 HG SER 60 7.610 4.022 13.381 495 H VAL 61 H VAL 61 5.376 4.314 10.774 496 HA VAL 61 HA VAL 61 5.731 2.646 8.459 497 HB VAL 61 HB VAL 61 3.156 3.140 10.019 498 HG11 VAL 61 HG11 VAL 61 3.931 0.822 8.193 499 HG12 VAL 61 HG12 VAL 61 2.730 2.067 7.843 500 HG13 VAL 61 HG13 VAL 61 2.448 0.918 9.150 501 HG21 VAL 61 HG21 VAL 61 5.267 0.996 10.480 502 HG22 VAL 61 HG22 VAL 61 3.718 1.120 11.322 503 HG23 VAL 61 HG23 VAL 61 4.938 2.376 11.534 504 H ALA 62 H ALA 62 3.660 5.482 9.181 505 HA ALA 62 HA ALA 62 2.349 5.816 6.730 506 HB1 ALA 62 HB1 ALA 62 3.282 8.008 8.618 507 HB2 ALA 62 HB2 ALA 62 1.750 7.134 8.710 508 HB3 ALA 62 HB3 ALA 62 2.078 8.195 7.332 509 H LYS 63 H LYS 63 5.606 6.776 7.686 510 HA LYS 63 HA LYS 63 6.453 8.276 5.487 511 HB2 LYS 63 HB2 LYS 63 7.775 8.048 7.532 512 HB3 LYS 63 HB3 LYS 63 7.987 6.326 7.249 513 HG2 LYS 63 HG2 LYS 63 9.325 6.881 5.195 514 HG3 LYS 63 HG3 LYS 63 9.178 8.594 5.618 515 HD2 LYS 63 HD2 LYS 63 10.337 8.155 7.770 516 HD3 LYS 63 HD3 LYS 63 10.477 6.446 7.349 517 HE2 LYS 63 HE2 LYS 63 12.594 7.592 6.937 518 HE3 LYS 63 HE3 LYS 63 11.897 7.066 5.405 519 HZ1 LYS 63 HZ1 LYS 63 11.701 9.813 6.517 520 HZ2 LYS 63 HZ2 LYS 63 11.118 9.304 5.015 521 HZ3 LYS 63 HZ3 LYS 63 12.779 9.325 5.313 522 H VAL 64 H VAL 64 6.654 4.729 5.985 523 HA VAL 64 HA VAL 64 7.850 4.032 3.525 524 HB VAL 64 HB VAL 64 6.004 2.312 5.248 525 HG11 VAL 64 HG11 VAL 64 6.312 1.335 2.991 526 HG12 VAL 64 HG12 VAL 64 7.125 0.359 4.216 527 HG13 VAL 64 HG13 VAL 64 8.066 1.433 3.180 528 HG21 VAL 64 HG21 VAL 64 8.074 1.440 6.299 529 HG22 VAL 64 HG22 VAL 64 7.903 3.176 6.564 530 HG23 VAL 64 HG23 VAL 64 9.037 2.577 5.351 531 H LEU 65 H LEU 65 4.395 4.205 4.438 532 HA LEU 65 HA LEU 65 3.379 3.395 1.881 533 HB2 LEU 65 HB2 LEU 65 2.097 4.718 4.291 534 HB3 LEU 65 HB3 LEU 65 1.187 4.472 2.813 535 HG LEU 65 HG LEU 65 0.701 2.702 4.449 536 HD11 LEU 65 HD11 LEU 65 1.070 0.732 3.029 537 HD12 LEU 65 HD12 LEU 65 2.240 1.635 2.061 538 HD13 LEU 65 HD13 LEU 65 0.543 2.123 2.083 539 HD21 LEU 65 HD21 LEU 65 2.416 1.036 5.096 540 HD22 LEU 65 HD22 LEU 65 2.785 2.653 5.693 541 HD23 LEU 65 HD23 LEU 65 3.653 2.019 4.293 542 H HIS 66 H HIS 66 4.290 6.490 3.249 543 HA HIS 66 HA HIS 66 3.077 8.180 1.287 544 HB2 HIS 66 HB2 HIS 66 3.794 8.887 3.609 545 HB3 HIS 66 HB3 HIS 66 5.463 8.827 3.068 546 HD1 HIS 66 HD1 HIS 66 6.242 10.735 1.451 547 HD2 HIS 66 HD2 HIS 66 2.305 11.079 2.733 548 HE1 HIS 66 HE1 HIS 66 5.560 13.075 0.876 549 HE2 HIS 66 HE2 HIS 66 3.134 13.210 1.516 550 H THR 67 H THR 67 6.147 6.422 1.479 551 HA THR 67 HA THR 67 7.439 7.778 -0.727 552 HB THR 67 HB THR 67 9.088 6.014 -0.804 553 HG1 THR 67 HG1 THR 67 7.772 4.386 1.065 554 HG21 THR 67 HG21 THR 67 8.280 6.344 2.095 555 HG22 THR 67 HG22 THR 67 9.284 7.469 1.181 556 HG23 THR 67 HG23 THR 67 9.862 5.834 1.507 557 H ILE 68 H ILE 68 5.004 5.298 -0.481 558 HA ILE 68 HA ILE 68 5.408 4.145 -3.109 559 HB ILE 68 HB ILE 68 2.967 3.862 -1.292 560 HG12 ILE 68 HG12 ILE 68 4.791 3.107 0.067 561 HG13 ILE 68 HG13 ILE 68 4.072 1.644 -0.586 562 HG21 ILE 68 HG21 ILE 68 2.562 1.749 -2.513 563 HG22 ILE 68 HG22 ILE 68 3.950 2.078 -3.553 564 HG23 ILE 68 HG23 ILE 68 2.541 3.141 -3.600 565 HD11 ILE 68 HD11 ILE 68 5.886 1.504 -2.235 566 HD12 ILE 68 HD12 ILE 68 6.482 1.524 -0.575 567 HD13 ILE 68 HD13 ILE 68 6.602 2.977 -1.560 568 H MET 69 H MET 69 3.415 6.573 -1.568 569 HA MET 69 HA MET 69 1.667 7.195 -3.699 570 HB2 MET 69 HB2 MET 69 2.684 9.167 -1.611 571 HB3 MET 69 HB3 MET 69 1.160 9.215 -2.493 572 HG2 MET 69 HG2 MET 69 0.697 6.930 -1.288 573 HG3 MET 69 HG3 MET 69 1.980 7.440 -0.215 574 HE1 MET 69 HE1 MET 69 -1.537 8.560 -1.699 575 HE2 MET 69 HE2 MET 69 -0.501 9.967 -1.949 576 HE3 MET 69 HE3 MET 69 -1.808 10.033 -0.767 577 H ASN 70 H ASN 70 4.790 8.630 -2.723 578 HA ASN 70 HA ASN 70 5.221 10.441 -4.818 579 HB2 ASN 70 HB2 ASN 70 6.610 10.226 -2.733 580 HB3 ASN 70 HB3 ASN 70 7.298 8.735 -3.371 581 HD21 ASN 70 HD21 ASN 70 6.680 11.731 -5.203 582 HD22 ASN 70 HD22 ASN 70 8.342 12.047 -5.541 583 H LEU 71 H LEU 71 6.038 7.024 -4.588 584 HA LEU 71 HA LEU 71 7.589 6.696 -6.906 585 HB2 LEU 71 HB2 LEU 71 7.377 5.262 -4.782 586 HB3 LEU 71 HB3 LEU 71 5.934 4.567 -5.488 587 HG LEU 71 HG LEU 71 8.693 4.371 -6.761 588 HD11 LEU 71 HD11 LEU 71 8.741 3.286 -4.557 589 HD12 LEU 71 HD12 LEU 71 8.833 2.088 -5.845 590 HD13 LEU 71 HD13 LEU 71 7.313 2.331 -4.974 591 HD21 LEU 71 HD21 LEU 71 7.706 2.469 -8.027 592 HD22 LEU 71 HD22 LEU 71 6.883 3.988 -8.367 593 HD23 LEU 71 HD23 LEU 71 6.132 2.808 -7.291 594 H VAL 72 H VAL 72 4.215 5.695 -6.331 595 HA VAL 72 HA VAL 72 3.612 4.806 -8.936 596 HB VAL 72 HB VAL 72 1.719 5.697 -6.712 597 HG11 VAL 72 HG11 VAL 72 1.139 4.021 -9.185 598 HG12 VAL 72 HG12 VAL 72 0.551 5.658 -8.880 599 HG13 VAL 72 HG13 VAL 72 0.005 4.323 -7.864 600 HG21 VAL 72 HG21 VAL 72 2.737 2.909 -7.420 601 HG22 VAL 72 HG22 VAL 72 1.547 3.279 -6.170 602 HG23 VAL 72 HG23 VAL 72 3.207 3.851 -6.003 603 H ASP 73 H ASP 73 2.986 7.938 -7.334 604 HA ASP 73 HA ASP 73 1.482 9.245 -9.300 605 HB2 ASP 73 HB2 ASP 73 1.831 10.076 -6.984 606 HB3 ASP 73 HB3 ASP 73 3.508 10.440 -7.362 607 H LYS 74 H LYS 74 4.967 8.708 -9.119 608 HA LYS 74 HA LYS 74 5.753 10.387 -11.289 609 HB2 LYS 74 HB2 LYS 74 7.087 8.060 -9.905 610 HB3 LYS 74 HB3 LYS 74 7.838 8.883 -11.274 611 HG2 LYS 74 HG2 LYS 74 7.836 11.000 -10.055 612 HG3 LYS 74 HG3 LYS 74 6.989 10.248 -8.698 613 HD2 LYS 74 HD2 LYS 74 9.374 10.474 -8.216 614 HD3 LYS 74 HD3 LYS 74 8.909 8.775 -8.298 615 HE2 LYS 74 HE2 LYS 74 9.855 8.613 -10.571 616 HE3 LYS 74 HE3 LYS 74 10.271 10.328 -10.534 617 HZ1 LYS 74 HZ1 LYS 74 11.354 8.260 -8.713 618 HZ2 LYS 74 HZ2 LYS 74 11.783 9.898 -8.728 619 HZ3 LYS 74 HZ3 LYS 74 12.154 8.913 -10.050 620 H MET 75 H MET 75 4.812 6.949 -11.111 621 HA MET 75 HA MET 75 5.452 6.162 -13.744 622 HB2 MET 75 HB2 MET 75 3.258 5.157 -11.897 623 HB3 MET 75 HB3 MET 75 3.725 4.361 -13.394 624 HG2 MET 75 HG2 MET 75 5.987 3.990 -12.479 625 HG3 MET 75 HG3 MET 75 5.482 4.753 -10.961 626 HE1 MET 75 HE1 MET 75 6.396 2.307 -9.877 627 HE2 MET 75 HE2 MET 75 6.646 1.664 -11.501 628 HE3 MET 75 HE3 MET 75 5.665 0.771 -10.338 629 H LEU 76 H LEU 76 2.582 7.775 -12.457 630 HA LEU 76 HA LEU 76 0.818 7.700 -14.623 631 HB2 LEU 76 HB2 LEU 76 1.232 9.554 -12.292 632 HB3 LEU 76 HB3 LEU 76 0.208 10.143 -13.582 633 HG LEU 76 HG LEU 76 -1.156 9.149 -11.808 634 HD11 LEU 76 HD11 LEU 76 -1.980 8.936 -14.099 635 HD12 LEU 76 HD12 LEU 76 -2.504 7.590 -13.095 636 HD13 LEU 76 HD13 LEU 76 -1.192 7.363 -14.255 637 HD21 LEU 76 HD21 LEU 76 0.348 6.548 -12.267 638 HD22 LEU 76 HD22 LEU 76 -1.053 6.767 -11.213 639 HD23 LEU 76 HD23 LEU 76 0.461 7.586 -10.843 640 H ASN 77 H ASN 77 3.503 10.033 -14.050 641 HA ASN 77 HA ASN 77 2.891 11.447 -16.532 642 HB2 ASN 77 HB2 ASN 77 5.224 12.634 -15.909 643 HB3 ASN 77 HB3 ASN 77 3.702 13.066 -15.145 644 HD21 ASN 77 HD21 ASN 77 6.751 11.443 -14.699 645 HD22 ASN 77 HD22 ASN 77 6.674 11.376 -12.983 646 H SER 78 H SER 78 4.010 11.450 -18.391 647 HA SER 78 HA SER 78 5.033 8.966 -19.292 648 HB2 SER 78 HB2 SER 78 4.957 11.684 -20.657 649 HB3 SER 78 HB3 SER 78 5.294 10.158 -21.482 650 HG SER 78 HG SER 78 3.012 11.120 -21.359 651 H GLU 79 H GLU 79 6.686 11.503 -17.752 652 HA GLU 79 HA GLU 79 9.220 11.299 -19.122 653 HB2 GLU 79 HB2 GLU 79 10.015 12.899 -17.500 654 HB3 GLU 79 HB3 GLU 79 8.365 13.355 -17.918 655 HG2 GLU 79 HG2 GLU 79 7.532 12.371 -15.839 656 HG3 GLU 79 HG3 GLU 79 9.168 11.897 -15.395 657 H ILE 80 H ILE 80 7.610 9.365 -16.849 658 HA ILE 80 HA ILE 80 10.082 7.975 -15.950 659 HB ILE 80 HB ILE 80 7.440 8.173 -14.432 660 HG12 ILE 80 HG12 ILE 80 8.601 10.390 -14.563 661 HG13 ILE 80 HG13 ILE 80 8.438 9.800 -12.936 662 HG21 ILE 80 HG21 ILE 80 8.690 7.238 -12.504 663 HG22 ILE 80 HG22 ILE 80 10.119 7.051 -13.523 664 HG23 ILE 80 HG23 ILE 80 8.658 6.127 -13.877 665 HD11 ILE 80 HD11 ILE 80 10.587 10.851 -13.287 666 HD12 ILE 80 HD12 ILE 80 10.947 9.741 -14.607 667 HD13 ILE 80 HD13 ILE 80 10.806 9.135 -12.953 668 H LYS 81 H LYS 81 10.154 5.820 -16.498 669 HA LYS 81 HA LYS 81 7.761 4.511 -17.644 670 HB2 LYS 81 HB2 LYS 81 10.707 3.715 -17.761 671 HB3 LYS 81 HB3 LYS 81 9.390 2.810 -18.511 672 HG2 LYS 81 HG2 LYS 81 8.867 4.828 -19.906 673 HG3 LYS 81 HG3 LYS 81 10.272 5.634 -19.210 674 HD2 LYS 81 HD2 LYS 81 10.855 4.743 -21.397 675 HD3 LYS 81 HD3 LYS 81 11.736 3.850 -20.156 676 HE2 LYS 81 HE2 LYS 81 10.222 1.955 -20.367 677 HE3 LYS 81 HE3 LYS 81 9.157 2.864 -21.441 678 HZ1 LYS 81 HZ1 LYS 81 10.555 1.338 -22.663 679 HZ2 LYS 81 HZ2 LYS 81 11.949 2.071 -22.050 680 HZ3 LYS 81 HZ3 LYS 81 10.921 2.936 -23.075 681 H ILE 82 H ILE 82 7.382 2.213 -17.104 682 HA ILE 82 HA ILE 82 7.595 1.807 -14.188 683 HB ILE 82 HB ILE 82 5.673 0.426 -16.129 684 HG12 ILE 82 HG12 ILE 82 3.914 1.913 -14.868 685 HG13 ILE 82 HG13 ILE 82 5.284 2.911 -14.406 686 HG21 ILE 82 HG21 ILE 82 5.710 0.465 -13.088 687 HG22 ILE 82 HG22 ILE 82 6.099 -0.911 -14.122 688 HG23 ILE 82 HG23 ILE 82 4.456 -0.273 -14.087 689 HD11 ILE 82 HD11 ILE 82 4.099 3.818 -16.309 690 HD12 ILE 82 HD12 ILE 82 4.374 2.334 -17.220 691 HD13 ILE 82 HD13 ILE 82 5.738 3.359 -16.768 692 H THR 83 H THR 83 9.590 0.910 -14.002 693 HA THR 83 HA THR 83 10.501 -1.334 -15.551 694 HB THR 83 HB THR 83 11.636 -0.280 -12.913 695 HG1 THR 83 HG1 THR 83 11.971 0.554 -15.592 696 HG21 THR 83 HG21 THR 83 12.980 -1.910 -15.115 697 HG22 THR 83 HG22 THR 83 12.510 -2.526 -13.529 698 HG23 THR 83 HG23 THR 83 13.769 -1.296 -13.658 699 H SER 84 H SER 84 10.495 -3.530 -14.976 700 HA SER 84 HA SER 84 8.487 -4.593 -13.354 701 HB2 SER 84 HB2 SER 84 11.039 -5.927 -14.337 702 HB3 SER 84 HB3 SER 84 9.658 -6.794 -13.660 703 HG SER 84 HG SER 84 10.005 -6.127 -16.154 704 H ASP 85 H ASP 85 11.934 -4.081 -12.533 705 HA ASP 85 HA ASP 85 11.716 -5.203 -9.880 706 HB2 ASP 85 HB2 ASP 85 13.880 -3.456 -11.103 707 HB3 ASP 85 HB3 ASP 85 14.004 -4.270 -9.547 708 H LEU 86 H LEU 86 11.129 -2.008 -11.206 709 HA LEU 86 HA LEU 86 11.111 -0.651 -8.665 710 HB2 LEU 86 HB2 LEU 86 11.394 0.556 -10.836 711 HB3 LEU 86 HB3 LEU 86 9.736 0.147 -11.254 712 HG LEU 86 HG LEU 86 9.019 1.398 -9.135 713 HD11 LEU 86 HD11 LEU 86 10.561 3.096 -8.227 714 HD12 LEU 86 HD12 LEU 86 11.870 2.434 -9.209 715 HD13 LEU 86 HD13 LEU 86 11.130 1.451 -7.942 716 HD21 LEU 86 HD21 LEU 86 9.125 3.616 -10.223 717 HD22 LEU 86 HD22 LEU 86 8.678 2.345 -11.357 718 HD23 LEU 86 HD23 LEU 86 10.320 3.001 -11.373 719 H ILE 87 H ILE 87 8.673 -2.281 -10.653 720 HA ILE 87 HA ILE 87 6.376 -1.918 -9.054 721 HB ILE 87 HB ILE 87 7.168 -4.415 -10.626 722 HG12 ILE 87 HG12 ILE 87 5.505 -2.066 -11.634 723 HG13 ILE 87 HG13 ILE 87 7.199 -2.323 -12.029 724 HG21 ILE 87 HG21 ILE 87 4.389 -3.507 -9.805 725 HG22 ILE 87 HG22 ILE 87 5.281 -4.866 -9.119 726 HG23 ILE 87 HG23 ILE 87 4.760 -4.917 -10.802 727 HD11 ILE 87 HD11 ILE 87 5.781 -3.034 -13.847 728 HD12 ILE 87 HD12 ILE 87 4.899 -4.131 -12.787 729 HD13 ILE 87 HD13 ILE 87 6.601 -4.433 -13.155 730 H ASP 88 H ASP 88 9.151 -4.090 -8.814 731 HA ASP 88 HA ASP 88 8.294 -5.806 -6.717 732 HB2 ASP 88 HB2 ASP 88 10.206 -6.252 -8.306 733 HB3 ASP 88 HB3 ASP 88 11.139 -5.023 -7.478 734 H LYS 89 H LYS 89 9.770 -2.603 -6.764 735 HA LYS 89 HA LYS 89 10.556 -2.406 -4.036 736 HB2 LYS 89 HB2 LYS 89 11.224 -0.873 -5.972 737 HB3 LYS 89 HB3 LYS 89 9.650 -0.104 -5.807 738 HG2 LYS 89 HG2 LYS 89 10.173 0.600 -3.539 739 HG3 LYS 89 HG3 LYS 89 11.688 -0.304 -3.577 740 HD2 LYS 89 HD2 LYS 89 12.436 1.200 -5.477 741 HD3 LYS 89 HD3 LYS 89 10.984 2.172 -5.195 742 HE2 LYS 89 HE2 LYS 89 12.806 3.224 -4.024 743 HE3 LYS 89 HE3 LYS 89 11.760 2.476 -2.817 744 HZ1 LYS 89 HZ1 LYS 89 14.275 1.297 -3.859 745 HZ2 LYS 89 HZ2 LYS 89 13.287 0.635 -2.658 746 HZ3 LYS 89 HZ3 LYS 89 14.108 2.084 -2.371 747 H VAL 90 H VAL 90 7.544 -1.732 -5.743 748 HA VAL 90 HA VAL 90 6.076 -0.603 -3.553 749 HB VAL 90 HB VAL 90 4.895 -1.985 -6.015 750 HG11 VAL 90 HG11 VAL 90 3.239 -1.433 -4.280 751 HG12 VAL 90 HG12 VAL 90 3.007 -0.405 -5.695 752 HG13 VAL 90 HG13 VAL 90 3.793 0.244 -4.254 753 HG21 VAL 90 HG21 VAL 90 6.563 -0.407 -6.832 754 HG22 VAL 90 HG22 VAL 90 5.924 0.875 -5.795 755 HG23 VAL 90 HG23 VAL 90 4.954 0.256 -7.132 756 H LYS 91 H LYS 91 6.151 -3.861 -5.046 757 HA LYS 91 HA LYS 91 4.416 -5.262 -3.372 758 HB2 LYS 91 HB2 LYS 91 6.793 -6.088 -5.043 759 HB3 LYS 91 HB3 LYS 91 6.152 -7.265 -3.906 760 HG2 LYS 91 HG2 LYS 91 4.562 -5.930 -6.120 761 HG3 LYS 91 HG3 LYS 91 5.245 -7.562 -6.182 762 HD2 LYS 91 HD2 LYS 91 3.830 -8.114 -4.125 763 HD3 LYS 91 HD3 LYS 91 3.046 -6.543 -4.323 764 HE2 LYS 91 HE2 LYS 91 1.663 -8.296 -5.309 765 HE3 LYS 91 HE3 LYS 91 2.280 -7.259 -6.590 766 HZ1 LYS 91 HZ1 LYS 91 2.474 -9.521 -7.247 767 HZ2 LYS 91 HZ2 LYS 91 3.302 -9.932 -5.832 768 HZ3 LYS 91 HZ3 LYS 91 4.030 -8.922 -6.975 769 H LYS 92 H LYS 92 7.898 -4.698 -2.959 770 HA LYS 92 HA LYS 92 8.364 -6.303 -0.708 771 HB2 LYS 92 HB2 LYS 92 10.088 -5.397 -2.287 772 HB3 LYS 92 HB3 LYS 92 9.878 -3.818 -1.563 773 HG2 LYS 92 HG2 LYS 92 11.826 -4.688 -0.538 774 HG3 LYS 92 HG3 LYS 92 10.540 -4.891 0.658 775 HD2 LYS 92 HD2 LYS 92 11.909 -6.925 0.570 776 HD3 LYS 92 HD3 LYS 92 10.284 -7.275 -0.024 777 HE2 LYS 92 HE2 LYS 92 11.160 -7.035 -2.377 778 HE3 LYS 92 HE3 LYS 92 12.787 -6.848 -1.714 779 HZ1 LYS 92 HZ1 LYS 92 12.543 -9.065 -0.722 780 HZ2 LYS 92 HZ2 LYS 92 12.418 -9.096 -2.405 781 HZ3 LYS 92 HZ3 LYS 92 11.027 -9.229 -1.453 782 H LYS 93 H LYS 93 7.585 -2.866 -0.975 783 HA LYS 93 HA LYS 93 7.739 -2.292 1.836 784 HB2 LYS 93 HB2 LYS 93 6.550 -0.690 -0.454 785 HB3 LYS 93 HB3 LYS 93 6.772 -0.079 1.180 786 HG2 LYS 93 HG2 LYS 93 8.951 -0.950 -0.741 787 HG3 LYS 93 HG3 LYS 93 8.578 0.705 -0.246 788 HD2 LYS 93 HD2 LYS 93 9.324 0.242 2.027 789 HD3 LYS 93 HD3 LYS 93 9.535 -1.474 1.660 790 HE2 LYS 93 HE2 LYS 93 11.326 -0.881 0.037 791 HE3 LYS 93 HE3 LYS 93 11.135 0.819 0.470 792 HZ1 LYS 93 HZ1 LYS 93 11.950 -1.367 2.280 793 HZ2 LYS 93 HZ2 LYS 93 11.721 0.241 2.742 794 HZ3 LYS 93 HZ3 LYS 93 12.949 -0.161 1.651 795 H LEU 94 H LEU 94 5.155 -3.287 -0.321 796 HA LEU 94 HA LEU 94 3.006 -2.872 1.565 797 HB2 LEU 94 HB2 LEU 94 3.075 -3.240 -1.131 798 HB3 LEU 94 HB3 LEU 94 2.714 -4.885 -0.660 799 HG LEU 94 HG LEU 94 0.680 -3.636 -1.276 800 HD11 LEU 94 HD11 LEU 94 0.711 -4.271 1.679 801 HD12 LEU 94 HD12 LEU 94 0.426 -5.411 0.361 802 HD13 LEU 94 HD13 LEU 94 -0.724 -4.109 0.658 803 HD21 LEU 94 HD21 LEU 94 1.315 -1.776 1.038 804 HD22 LEU 94 HD22 LEU 94 -0.140 -1.740 0.035 805 HD23 LEU 94 HD23 LEU 94 1.429 -1.376 -0.679 806 H ASP 95 H ASP 95 5.207 -5.508 0.751 807 HA ASP 95 HA ASP 95 4.275 -7.518 2.513 808 HB2 ASP 95 HB2 ASP 95 6.936 -6.882 1.198 809 HB3 ASP 95 HB3 ASP 95 6.896 -8.113 2.452 810 H MET 96 H MET 96 6.505 -4.807 2.913 811 HA MET 96 HA MET 96 7.345 -5.262 5.567 812 HB2 MET 96 HB2 MET 96 8.630 -3.820 4.130 813 HB3 MET 96 HB3 MET 96 7.255 -2.770 3.837 814 HG2 MET 96 HG2 MET 96 8.893 -1.733 5.333 815 HG3 MET 96 HG3 MET 96 7.342 -1.963 6.141 816 HE1 MET 96 HE1 MET 96 9.845 -1.287 7.887 817 HE2 MET 96 HE2 MET 96 9.708 -2.491 9.167 818 HE3 MET 96 HE3 MET 96 8.262 -1.686 8.559 819 H VAL 97 H VAL 97 4.467 -3.567 4.298 820 HA VAL 97 HA VAL 97 3.433 -2.448 6.671 821 HB VAL 97 HB VAL 97 1.826 -3.756 4.415 822 HG11 VAL 97 HG11 VAL 97 -0.044 -2.273 5.108 823 HG12 VAL 97 HG12 VAL 97 0.920 -1.685 6.465 824 HG13 VAL 97 HG13 VAL 97 0.421 -3.376 6.406 825 HG21 VAL 97 HG21 VAL 97 3.312 -2.051 3.496 826 HG22 VAL 97 HG22 VAL 97 2.768 -0.875 4.696 827 HG23 VAL 97 HG23 VAL 97 1.650 -1.457 3.458 828 H THR 98 H THR 98 2.923 -5.683 5.279 829 HA THR 98 HA THR 98 1.425 -6.861 7.356 830 HB THR 98 HB THR 98 3.299 -8.269 5.395 831 HG1 THR 98 HG1 THR 98 1.317 -8.449 4.145 832 HG21 THR 98 HG21 THR 98 1.787 -10.218 5.662 833 HG22 THR 98 HG22 THR 98 0.850 -9.331 6.865 834 HG23 THR 98 HG23 THR 98 2.522 -9.775 7.207 835 H ARG 99 H ARG 99 4.949 -6.635 6.845 836 HA ARG 99 HA ARG 99 5.747 -8.426 8.931 837 HB2 ARG 99 HB2 ARG 99 7.308 -6.273 7.446 838 HB3 ARG 99 HB3 ARG 99 8.042 -7.384 8.601 839 HG2 ARG 99 HG2 ARG 99 6.657 -8.184 6.020 840 HG3 ARG 99 HG3 ARG 99 8.405 -8.098 6.271 841 HD2 ARG 99 HD2 ARG 99 6.484 -9.953 7.735 842 HD3 ARG 99 HD3 ARG 99 7.567 -10.417 6.417 843 HE ARG 99 HE ARG 99 8.519 -9.429 9.048 844 HH11 ARG 99 HH11 ARG 99 8.844 -11.644 6.408 845 HH12 ARG 99 HH12 ARG 99 10.182 -12.459 7.132 846 HH21 ARG 99 HH21 ARG 99 10.225 -10.481 9.933 847 HH22 ARG 99 HH22 ARG 99 10.955 -11.810 9.103 848 H GLU 100 H GLU 100 5.187 -4.940 8.849 849 HA GLU 100 HA GLU 100 6.320 -4.424 11.452 850 HB2 GLU 100 HB2 GLU 100 5.646 -2.804 9.273 851 HB3 GLU 100 HB3 GLU 100 4.376 -2.397 10.416 852 HG2 GLU 100 HG2 GLU 100 7.372 -2.212 10.942 853 HG3 GLU 100 HG3 GLU 100 6.319 -0.856 10.538 854 H LEU 101 H LEU 101 3.070 -5.056 10.161 855 HA LEU 101 HA LEU 101 1.704 -4.916 12.686 856 HB2 LEU 101 HB2 LEU 101 0.595 -4.749 10.416 857 HB3 LEU 101 HB3 LEU 101 0.866 -6.471 10.208 858 HG LEU 101 HG LEU 101 -0.601 -6.937 12.181 859 HD11 LEU 101 HD11 LEU 101 -1.094 -3.937 12.231 860 HD12 LEU 101 HD12 LEU 101 -0.235 -4.872 13.459 861 HD13 LEU 101 HD13 LEU 101 -1.956 -5.145 13.190 862 HD21 LEU 101 HD21 LEU 101 -1.933 -5.224 10.054 863 HD22 LEU 101 HD22 LEU 101 -2.750 -6.371 11.119 864 HD23 LEU 101 HD23 LEU 101 -1.584 -6.951 9.933 865 H ASP 102 H ASP 102 3.499 -7.421 10.989 866 HA ASP 102 HA ASP 102 2.798 -9.663 12.603 867 HB2 ASP 102 HB2 ASP 102 3.851 -9.833 10.334 868 HB3 ASP 102 HB3 ASP 102 5.347 -9.181 10.987 869 H LYS 103 H LYS 103 5.264 -7.132 12.909 870 HA LYS 103 HA LYS 103 6.649 -8.100 15.186 871 HB2 LYS 103 HB2 LYS 103 6.282 -5.352 13.964 872 HB3 LYS 103 HB3 LYS 103 7.119 -5.517 15.504 873 HG2 LYS 103 HG2 LYS 103 7.955 -6.997 12.983 874 HG3 LYS 103 HG3 LYS 103 8.618 -5.429 13.472 875 HD2 LYS 103 HD2 LYS 103 9.464 -6.407 15.566 876 HD3 LYS 103 HD3 LYS 103 8.730 -7.963 15.169 877 HE2 LYS 103 HE2 LYS 103 10.896 -6.653 13.490 878 HE3 LYS 103 HE3 LYS 103 11.212 -7.826 14.771 879 HZ1 LYS 103 HZ1 LYS 103 9.871 -9.431 13.578 880 HZ2 LYS 103 HZ2 LYS 103 11.144 -8.876 12.616 881 HZ3 LYS 103 HZ3 LYS 103 9.575 -8.308 12.350 882 H LYS 104 H LYS 104 3.553 -6.444 14.883 883 HA LYS 104 HA LYS 104 3.169 -5.773 17.647 884 HB2 LYS 104 HB2 LYS 104 1.008 -6.327 15.558 885 HB3 LYS 104 HB3 LYS 104 0.794 -5.439 17.068 886 HG2 LYS 104 HG2 LYS 104 2.506 -4.573 14.712 887 HG3 LYS 104 HG3 LYS 104 0.902 -3.945 15.116 888 HD2 LYS 104 HD2 LYS 104 1.790 -3.056 17.255 889 HD3 LYS 104 HD3 LYS 104 3.389 -3.702 16.864 890 HE2 LYS 104 HE2 LYS 104 1.910 -1.610 15.229 891 HE3 LYS 104 HE3 LYS 104 3.198 -1.282 16.384 892 HZ1 LYS 104 HZ1 LYS 104 3.984 -1.358 14.102 893 HZ2 LYS 104 HZ2 LYS 104 3.476 -2.963 13.967 894 HZ3 LYS 104 HZ3 LYS 104 4.714 -2.558 15.042 895 H VAL 105 H VAL 105 2.099 -8.491 15.618 896 HA VAL 105 HA VAL 105 0.788 -10.027 17.620 897 HB VAL 105 HB VAL 105 2.039 -10.989 15.000 898 HG11 VAL 105 HG11 VAL 105 0.414 -12.865 15.110 899 HG12 VAL 105 HG12 VAL 105 -0.134 -12.302 16.689 900 HG13 VAL 105 HG13 VAL 105 1.518 -12.888 16.489 901 HG21 VAL 105 HG21 VAL 105 0.444 -9.151 14.598 902 HG22 VAL 105 HG22 VAL 105 -0.798 -10.002 15.521 903 HG23 VAL 105 HG23 VAL 105 -0.211 -10.680 14.001 904 H SER 106 H SER 106 4.117 -9.982 16.439 905 HA SER 106 HA SER 106 5.071 -12.276 17.888 906 HB2 SER 106 HB2 SER 106 6.155 -11.558 15.792 907 HB3 SER 106 HB3 SER 106 6.609 -10.020 16.522 908 HG SER 106 HG SER 106 7.466 -12.181 17.975 909 H GLY 107 H GLY 107 4.727 -8.873 18.630 910 HA2 GLY 107 HA2 GLY 107 4.943 -7.738 20.629 911 HA3 GLY 107 HA3 GLY 107 5.482 -9.223 21.400 912 H SER 108 H SER 108 6.591 -6.776 19.042 913 HA SER 108 HA SER 108 9.119 -6.436 20.466 914 HB2 SER 108 HB2 SER 108 9.633 -8.275 18.874 915 HB3 SER 108 HB3 SER 108 9.065 -7.281 17.531 916 HG SER 108 HG SER 108 11.394 -7.014 19.103 917 H TYR 109 H TYR 109 9.505 -4.314 20.567 918 HA TYR 109 HA TYR 109 7.937 -2.378 19.120 919 HB2 TYR 109 HB2 TYR 109 8.523 -2.041 21.494 920 HB3 TYR 109 HB3 TYR 109 10.237 -2.023 21.095 921 HD1 TYR 109 HD1 TYR 109 7.096 -0.235 19.989 922 HD2 TYR 109 HD2 TYR 109 11.224 0.138 21.058 923 HE1 TYR 109 HE1 TYR 109 6.955 2.199 19.699 924 HE2 TYR 109 HE2 TYR 109 11.073 2.579 20.769 925 HH TYR 109 HH TYR 109 8.088 4.211 20.438 926 H LEU 110 H LEU 110 8.540 -1.052 17.464 927 HA LEU 110 HA LEU 110 10.906 -1.672 15.920 928 HB2 LEU 110 HB2 LEU 110 10.044 -0.211 14.202 929 HB3 LEU 110 HB3 LEU 110 8.756 -1.250 14.772 930 HG LEU 110 HG LEU 110 9.021 1.647 15.691 931 HD11 LEU 110 HD11 LEU 110 7.399 0.631 13.336 932 HD12 LEU 110 HD12 LEU 110 8.834 1.657 13.256 933 HD13 LEU 110 HD13 LEU 110 7.360 2.269 14.000 934 HD21 LEU 110 HD21 LEU 110 7.570 0.261 17.117 935 HD22 LEU 110 HD22 LEU 110 6.622 -0.229 15.710 936 HD23 LEU 110 HD23 LEU 110 6.621 1.458 16.235 937 H VAL 111 H VAL 111 12.734 -0.513 15.712 938 HA VAL 111 HA VAL 111 13.109 2.063 17.146 939 HB VAL 111 HB VAL 111 15.396 1.203 17.882 940 HG11 VAL 111 HG11 VAL 111 14.564 -0.084 19.823 941 HG12 VAL 111 HG12 VAL 111 13.003 -0.292 19.025 942 HG13 VAL 111 HG13 VAL 111 13.547 1.321 19.494 943 HG21 VAL 111 HG21 VAL 111 15.801 -1.242 17.948 944 HG22 VAL 111 HG22 VAL 111 15.638 -0.675 16.286 945 HG23 VAL 111 HG23 VAL 111 14.299 -1.526 17.060 946 HA PRO 112 HA PRO 112 15.220 3.470 13.442 947 HB2 PRO 112 HB2 PRO 112 17.281 5.050 14.374 948 HB3 PRO 112 HB3 PRO 112 15.579 5.532 14.442 949 HG2 PRO 112 HG2 PRO 112 17.283 4.286 16.606 950 HG3 PRO 112 HG3 PRO 112 16.188 5.683 16.718 951 HD2 PRO 112 HD2 PRO 112 15.418 3.235 17.555 952 HD3 PRO 112 HD3 PRO 112 14.264 4.333 16.766 953 H ARG 113 H ARG 113 15.857 1.224 12.945 954 HA ARG 113 HA ARG 113 18.806 0.874 12.835 955 HB2 ARG 113 HB2 ARG 113 16.580 -1.205 12.887 956 HB3 ARG 113 HB3 ARG 113 18.225 -1.597 12.399 957 HG2 ARG 113 HG2 ARG 113 19.049 -0.929 14.626 958 HG3 ARG 113 HG3 ARG 113 17.403 -0.523 15.118 959 HD2 ARG 113 HD2 ARG 113 18.147 -2.755 15.952 960 HD3 ARG 113 HD3 ARG 113 16.715 -2.848 14.926 961 HE ARG 113 HE ARG 113 18.195 -3.610 13.110 962 HH11 ARG 113 HH11 ARG 113 19.445 -3.942 16.322 963 HH12 ARG 113 HH12 ARG 113 20.450 -5.281 15.893 964 HH21 ARG 113 HH21 ARG 113 19.492 -5.301 12.604 965 HH22 ARG 113 HH22 ARG 113 20.478 -6.038 13.815 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -18.774 10.067 23.271 2 H2 MET 1 H2 MET 1 -20.323 9.527 22.869 3 H3 MET 1 H3 MET 1 -19.597 10.763 21.971 4 HA MET 1 HA MET 1 -18.630 7.971 22.153 5 HB2 MET 1 HB2 MET 1 -19.945 9.398 19.802 6 HB3 MET 1 HB3 MET 1 -19.367 7.737 19.812 7 HG2 MET 1 HG2 MET 1 -21.093 7.121 21.420 8 HG3 MET 1 HG3 MET 1 -21.639 8.801 21.508 9 HE1 MET 1 HE1 MET 1 -24.147 8.251 20.893 10 HE2 MET 1 HE2 MET 1 -23.736 6.533 20.928 11 HE3 MET 1 HE3 MET 1 -24.614 7.205 19.554 12 H GLY 2 H GLY 2 -16.435 8.153 22.173 13 HA2 GLY 2 HA2 GLY 2 -15.071 10.099 20.375 14 HA3 GLY 2 HA3 GLY 2 -14.414 9.495 21.889 15 H SER 3 H SER 3 -12.775 8.094 21.555 16 HA SER 3 HA SER 3 -12.188 6.973 19.006 17 HB2 SER 3 HB2 SER 3 -10.249 5.905 20.196 18 HB3 SER 3 HB3 SER 3 -10.389 7.637 20.497 19 HG SER 3 HG SER 3 -10.551 5.554 22.253 20 H HIS 4 H HIS 4 -13.647 5.492 18.248 21 HA HIS 4 HA HIS 4 -14.734 3.307 19.754 22 HB2 HIS 4 HB2 HIS 4 -14.593 3.743 16.741 23 HB3 HIS 4 HB3 HIS 4 -15.505 2.451 17.515 24 HD1 HIS 4 HD1 HIS 4 -17.676 3.119 18.767 25 HD2 HIS 4 HD2 HIS 4 -15.814 6.273 16.800 26 HE1 HIS 4 HE1 HIS 4 -19.390 4.941 18.654 27 HE2 HIS 4 HE2 HIS 4 -18.305 6.760 17.307 28 H GLN 5 H GLN 5 -13.300 1.884 20.608 29 HA GLN 5 HA GLN 5 -10.886 0.944 19.444 30 HB2 GLN 5 HB2 GLN 5 -12.622 -0.361 21.587 31 HB3 GLN 5 HB3 GLN 5 -10.943 -0.781 21.240 32 HG2 GLN 5 HG2 GLN 5 -10.218 1.461 21.943 33 HG3 GLN 5 HG3 GLN 5 -11.895 1.934 22.216 34 HE21 GLN 5 HE21 GLN 5 -9.206 0.074 23.446 35 HE22 GLN 5 HE22 GLN 5 -9.879 -0.239 25.003 36 H GLU 6 H GLU 6 -14.180 -0.359 19.462 37 HA GLU 6 HA GLU 6 -14.001 -2.795 18.176 38 HB2 GLU 6 HB2 GLU 6 -16.098 -1.921 19.068 39 HB3 GLU 6 HB3 GLU 6 -16.089 -0.586 17.930 40 HG2 GLU 6 HG2 GLU 6 -17.753 -2.200 17.256 41 HG3 GLU 6 HG3 GLU 6 -16.451 -2.187 16.066 42 H TYR 7 H TYR 7 -14.255 0.415 16.667 43 HA TYR 7 HA TYR 7 -14.175 -0.303 13.953 44 HB2 TYR 7 HB2 TYR 7 -14.859 1.927 14.729 45 HB3 TYR 7 HB3 TYR 7 -13.245 2.246 15.346 46 HD1 TYR 7 HD1 TYR 7 -14.926 1.323 12.092 47 HD2 TYR 7 HD2 TYR 7 -11.844 3.594 14.007 48 HE1 TYR 7 HE1 TYR 7 -14.347 2.361 9.942 49 HE2 TYR 7 HE2 TYR 7 -11.266 4.628 11.851 50 HH TYR 7 HH TYR 7 -11.499 4.207 9.472 51 H ILE 8 H ILE 8 -11.506 0.659 16.143 52 HA ILE 8 HA ILE 8 -9.359 0.571 14.341 53 HB ILE 8 HB ILE 8 -9.344 0.056 17.347 54 HG12 ILE 8 HG12 ILE 8 -10.270 2.269 16.764 55 HG13 ILE 8 HG13 ILE 8 -8.705 2.458 17.543 56 HG21 ILE 8 HG21 ILE 8 -6.972 0.715 15.553 57 HG22 ILE 8 HG22 ILE 8 -7.255 -0.809 16.399 58 HG23 ILE 8 HG23 ILE 8 -6.936 0.662 17.318 59 HD11 ILE 8 HD11 ILE 8 -7.679 2.836 15.329 60 HD12 ILE 8 HD12 ILE 8 -8.934 4.009 15.719 61 HD13 ILE 8 HD13 ILE 8 -9.277 2.704 14.587 62 H LYS 9 H LYS 9 -10.604 -2.029 16.452 63 HA LYS 9 HA LYS 9 -8.730 -4.050 15.838 64 HB2 LYS 9 HB2 LYS 9 -11.514 -4.039 16.994 65 HB3 LYS 9 HB3 LYS 9 -10.864 -5.579 16.464 66 HG2 LYS 9 HG2 LYS 9 -10.571 -5.201 18.872 67 HG3 LYS 9 HG3 LYS 9 -9.030 -5.417 18.037 68 HD2 LYS 9 HD2 LYS 9 -8.475 -3.105 18.231 69 HD3 LYS 9 HD3 LYS 9 -10.132 -2.654 18.626 70 HE2 LYS 9 HE2 LYS 9 -8.674 -2.554 20.605 71 HE3 LYS 9 HE3 LYS 9 -9.946 -3.761 20.794 72 HZ1 LYS 9 HZ1 LYS 9 -7.165 -4.377 19.965 73 HZ2 LYS 9 HZ2 LYS 9 -8.392 -5.489 20.306 74 HZ3 LYS 9 HZ3 LYS 9 -7.752 -4.532 21.541 75 H LYS 10 H LYS 10 -11.841 -3.241 14.279 76 HA LYS 10 HA LYS 10 -11.780 -5.268 12.293 77 HB2 LYS 10 HB2 LYS 10 -13.194 -2.593 12.492 78 HB3 LYS 10 HB3 LYS 10 -13.331 -3.569 11.030 79 HG2 LYS 10 HG2 LYS 10 -14.275 -5.425 12.321 80 HG3 LYS 10 HG3 LYS 10 -14.100 -4.503 13.817 81 HD2 LYS 10 HD2 LYS 10 -15.848 -3.019 13.262 82 HD3 LYS 10 HD3 LYS 10 -15.736 -3.364 11.536 83 HE2 LYS 10 HE2 LYS 10 -17.789 -4.310 12.554 84 HE3 LYS 10 HE3 LYS 10 -16.751 -5.559 11.869 85 HZ1 LYS 10 HZ1 LYS 10 -16.926 -4.840 14.740 86 HZ2 LYS 10 HZ2 LYS 10 -15.947 -6.052 14.087 87 HZ3 LYS 10 HZ3 LYS 10 -17.630 -6.191 14.015 88 H VAL 11 H VAL 11 -10.534 -1.939 12.292 89 HA VAL 11 HA VAL 11 -9.823 -1.705 9.580 90 HB VAL 11 HB VAL 11 -8.834 -0.220 12.051 91 HG11 VAL 11 HG11 VAL 11 -7.066 0.003 10.357 92 HG12 VAL 11 HG12 VAL 11 -7.921 1.535 10.547 93 HG13 VAL 11 HG13 VAL 11 -8.256 0.503 9.153 94 HG21 VAL 11 HG21 VAL 11 -10.304 1.594 11.245 95 HG22 VAL 11 HG22 VAL 11 -11.219 0.104 11.474 96 HG23 VAL 11 HG23 VAL 11 -10.762 0.613 9.849 97 H THR 12 H THR 12 -8.048 -3.199 12.248 98 HA THR 12 HA THR 12 -5.466 -3.286 11.055 99 HB THR 12 HB THR 12 -4.898 -5.116 12.610 100 HG1 THR 12 HG1 THR 12 -7.335 -5.188 13.902 101 HG21 THR 12 HG21 THR 12 -6.593 -2.980 13.950 102 HG22 THR 12 HG22 THR 12 -4.890 -2.826 13.513 103 HG23 THR 12 HG23 THR 12 -5.380 -3.984 14.750 104 H ASP 13 H ASP 13 -8.099 -5.753 11.045 105 HA ASP 13 HA ASP 13 -6.743 -7.385 9.095 106 HB2 ASP 13 HB2 ASP 13 -9.495 -7.581 10.339 107 HB3 ASP 13 HB3 ASP 13 -8.994 -8.655 9.027 108 H GLU 14 H GLU 14 -9.199 -4.841 8.823 109 HA GLU 14 HA GLU 14 -9.751 -5.115 6.064 110 HB2 GLU 14 HB2 GLU 14 -9.581 -2.622 7.796 111 HB3 GLU 14 HB3 GLU 14 -10.117 -2.586 6.117 112 HG2 GLU 14 HG2 GLU 14 -12.002 -4.077 6.696 113 HG3 GLU 14 HG3 GLU 14 -11.463 -4.098 8.377 114 H LEU 15 H LEU 15 -6.956 -3.804 7.758 115 HA LEU 15 HA LEU 15 -5.532 -2.775 5.532 116 HB2 LEU 15 HB2 LEU 15 -4.989 -2.146 7.814 117 HB3 LEU 15 HB3 LEU 15 -4.601 -3.796 8.239 118 HG LEU 15 HG LEU 15 -2.922 -2.458 6.104 119 HD11 LEU 15 HD11 LEU 15 -1.426 -1.466 7.785 120 HD12 LEU 15 HD12 LEU 15 -2.537 -1.934 9.075 121 HD13 LEU 15 HD13 LEU 15 -3.033 -0.745 7.868 122 HD21 LEU 15 HD21 LEU 15 -2.508 -4.833 6.634 123 HD22 LEU 15 HD22 LEU 15 -2.229 -4.419 8.326 124 HD23 LEU 15 HD23 LEU 15 -1.122 -3.837 7.080 125 H LYS 16 H LYS 16 -5.489 -6.041 7.077 126 HA LYS 16 HA LYS 16 -3.635 -7.302 5.332 127 HB2 LYS 16 HB2 LYS 16 -5.910 -8.412 7.006 128 HB3 LYS 16 HB3 LYS 16 -5.021 -9.468 5.928 129 HG2 LYS 16 HG2 LYS 16 -4.152 -9.729 8.138 130 HG3 LYS 16 HG3 LYS 16 -2.925 -8.942 7.147 131 HD2 LYS 16 HD2 LYS 16 -3.220 -6.856 8.230 132 HD3 LYS 16 HD3 LYS 16 -4.791 -7.316 8.890 133 HE2 LYS 16 HE2 LYS 16 -2.127 -8.492 9.756 134 HE3 LYS 16 HE3 LYS 16 -3.036 -7.256 10.629 135 HZ1 LYS 16 HZ1 LYS 16 -4.852 -8.817 10.906 136 HZ2 LYS 16 HZ2 LYS 16 -3.423 -9.478 11.529 137 HZ3 LYS 16 HZ3 LYS 16 -4.020 -10.000 10.036 138 H GLU 17 H GLU 17 -7.150 -6.938 5.103 139 HA GLU 17 HA GLU 17 -7.638 -8.346 2.706 140 HB2 GLU 17 HB2 GLU 17 -9.406 -7.623 4.309 141 HB3 GLU 17 HB3 GLU 17 -9.110 -5.945 3.856 142 HG2 GLU 17 HG2 GLU 17 -9.805 -6.526 1.504 143 HG3 GLU 17 HG3 GLU 17 -10.227 -8.139 2.080 144 H LEU 18 H LEU 18 -6.725 -5.051 3.364 145 HA LEU 18 HA LEU 18 -7.059 -3.985 0.764 146 HB2 LEU 18 HB2 LEU 18 -6.683 -2.958 3.275 147 HB3 LEU 18 HB3 LEU 18 -5.068 -2.753 2.641 148 HG LEU 18 HG LEU 18 -5.843 -1.268 0.898 149 HD11 LEU 18 HD11 LEU 18 -8.663 -1.938 1.789 150 HD12 LEU 18 HD12 LEU 18 -7.893 -2.419 0.272 151 HD13 LEU 18 HD13 LEU 18 -8.211 -0.715 0.594 152 HD21 LEU 18 HD21 LEU 18 -7.230 -0.554 3.509 153 HD22 LEU 18 HD22 LEU 18 -6.799 0.566 2.213 154 HD23 LEU 18 HD23 LEU 18 -5.533 -0.249 3.123 155 H ILE 19 H ILE 19 -4.230 -5.189 2.521 156 HA ILE 19 HA ILE 19 -2.230 -4.967 0.558 157 HB ILE 19 HB ILE 19 -2.636 -6.927 2.861 158 HG12 ILE 19 HG12 ILE 19 -0.754 -4.539 2.585 159 HG13 ILE 19 HG13 ILE 19 -2.290 -4.517 3.446 160 HG21 ILE 19 HG21 ILE 19 -1.180 -8.063 1.227 161 HG22 ILE 19 HG22 ILE 19 -0.294 -7.638 2.689 162 HG23 ILE 19 HG23 ILE 19 -0.090 -6.674 1.228 163 HD11 ILE 19 HD11 ILE 19 0.135 -6.153 4.170 164 HD12 ILE 19 HD12 ILE 19 -1.408 -6.163 5.029 165 HD13 ILE 19 HD13 ILE 19 -0.439 -4.694 4.973 166 H GLN 20 H GLN 20 -4.437 -7.675 1.281 167 HA GLN 20 HA GLN 20 -3.764 -9.521 -0.686 168 HB2 GLN 20 HB2 GLN 20 -5.333 -10.037 1.100 169 HB3 GLN 20 HB3 GLN 20 -6.458 -8.812 0.533 170 HG2 GLN 20 HG2 GLN 20 -6.853 -10.169 -1.517 171 HG3 GLN 20 HG3 GLN 20 -5.788 -11.417 -0.869 172 HE21 GLN 20 HE21 GLN 20 -6.527 -12.696 0.854 173 HE22 GLN 20 HE22 GLN 20 -8.186 -12.734 1.325 174 H ASN 21 H ASN 21 -6.004 -6.768 -0.915 175 HA ASN 21 HA ASN 21 -6.879 -7.249 -3.585 176 HB2 ASN 21 HB2 ASN 21 -7.062 -4.841 -1.744 177 HB3 ASN 21 HB3 ASN 21 -7.701 -4.800 -3.381 178 HD21 ASN 21 HD21 ASN 21 -7.896 -7.726 -1.393 179 HD22 ASN 21 HD22 ASN 21 -9.594 -7.642 -1.150 180 H VAL 22 H VAL 22 -4.425 -5.016 -2.230 181 HA VAL 22 HA VAL 22 -3.721 -3.762 -4.675 182 HB VAL 22 HB VAL 22 -2.200 -3.962 -2.043 183 HG11 VAL 22 HG11 VAL 22 -0.544 -3.570 -3.823 184 HG12 VAL 22 HG12 VAL 22 -0.751 -2.122 -2.842 185 HG13 VAL 22 HG13 VAL 22 -1.499 -2.219 -4.440 186 HG21 VAL 22 HG21 VAL 22 -3.788 -1.697 -3.299 187 HG22 VAL 22 HG22 VAL 22 -2.908 -1.604 -1.771 188 HG23 VAL 22 HG23 VAL 22 -4.292 -2.688 -1.928 189 H ASN 23 H ASN 23 -2.215 -6.536 -2.944 190 HA ASN 23 HA ASN 23 -0.157 -7.236 -4.666 191 HB2 ASN 23 HB2 ASN 23 -2.084 -9.011 -3.108 192 HB3 ASN 23 HB3 ASN 23 -0.759 -9.695 -4.045 193 HD21 ASN 23 HD21 ASN 23 -1.303 -9.692 -1.117 194 HD22 ASN 23 HD22 ASN 23 0.131 -9.052 -0.402 195 H ASP 24 H ASP 24 -3.596 -8.105 -4.906 196 HA ASP 24 HA ASP 24 -3.515 -9.642 -7.271 197 HB2 ASP 24 HB2 ASP 24 -5.316 -9.652 -5.516 198 HB3 ASP 24 HB3 ASP 24 -5.829 -8.064 -6.065 199 H ASP 25 H ASP 25 -4.247 -6.146 -6.780 200 HA ASP 25 HA ASP 25 -4.781 -5.485 -9.489 201 HB2 ASP 25 HB2 ASP 25 -3.905 -3.751 -7.144 202 HB3 ASP 25 HB3 ASP 25 -4.288 -3.079 -8.725 203 H ILE 26 H ILE 26 -1.765 -5.532 -7.611 204 HA ILE 26 HA ILE 26 -0.082 -4.282 -9.553 205 HB ILE 26 HB ILE 26 0.668 -6.093 -7.212 206 HG12 ILE 26 HG12 ILE 26 0.976 -3.068 -7.492 207 HG13 ILE 26 HG13 ILE 26 -0.332 -3.849 -6.619 208 HG21 ILE 26 HG21 ILE 26 2.456 -6.246 -8.863 209 HG22 ILE 26 HG22 ILE 26 3.008 -5.265 -7.509 210 HG23 ILE 26 HG23 ILE 26 2.522 -4.487 -9.015 211 HD11 ILE 26 HD11 ILE 26 1.317 -4.810 -5.057 212 HD12 ILE 26 HD12 ILE 26 1.357 -3.049 -5.096 213 HD13 ILE 26 HD13 ILE 26 2.606 -3.973 -5.930 214 H LYS 27 H LYS 27 -1.023 -7.678 -8.985 215 HA LYS 27 HA LYS 27 0.978 -8.904 -10.567 216 HB2 LYS 27 HB2 LYS 27 -1.797 -9.908 -9.862 217 HB3 LYS 27 HB3 LYS 27 -0.585 -10.882 -10.694 218 HG2 LYS 27 HG2 LYS 27 0.953 -10.388 -8.685 219 HG3 LYS 27 HG3 LYS 27 -0.494 -9.807 -7.866 220 HD2 LYS 27 HD2 LYS 27 -0.114 -12.112 -7.219 221 HD3 LYS 27 HD3 LYS 27 -1.552 -12.066 -8.248 222 HE2 LYS 27 HE2 LYS 27 -0.051 -13.959 -8.831 223 HE3 LYS 27 HE3 LYS 27 -0.223 -12.829 -10.174 224 HZ1 LYS 27 HZ1 LYS 27 2.073 -13.523 -9.865 225 HZ2 LYS 27 HZ2 LYS 27 2.073 -12.922 -8.285 226 HZ3 LYS 27 HZ3 LYS 27 1.914 -11.862 -9.594 227 H GLU 28 H GLU 28 -2.060 -7.453 -11.495 228 HA GLU 28 HA GLU 28 -2.058 -8.178 -14.251 229 HB2 GLU 28 HB2 GLU 28 -3.197 -5.725 -12.854 230 HB3 GLU 28 HB3 GLU 28 -3.605 -6.237 -14.493 231 HG2 GLU 28 HG2 GLU 28 -4.152 -7.824 -11.954 232 HG3 GLU 28 HG3 GLU 28 -5.337 -6.859 -12.833 233 H VAL 29 H VAL 29 -0.539 -5.553 -12.430 234 HA VAL 29 HA VAL 29 0.502 -4.132 -14.700 235 HB VAL 29 HB VAL 29 1.501 -3.876 -11.831 236 HG11 VAL 29 HG11 VAL 29 1.422 -1.894 -14.127 237 HG12 VAL 29 HG12 VAL 29 2.857 -2.735 -13.528 238 HG13 VAL 29 HG13 VAL 29 2.026 -1.570 -12.505 239 HG21 VAL 29 HG21 VAL 29 -0.943 -3.628 -11.734 240 HG22 VAL 29 HG22 VAL 29 -0.897 -2.433 -13.034 241 HG23 VAL 29 HG23 VAL 29 -0.154 -2.066 -11.471 242 H GLU 30 H GLU 30 1.689 -6.801 -12.723 243 HA GLU 30 HA GLU 30 4.473 -6.592 -13.242 244 HB2 GLU 30 HB2 GLU 30 2.805 -9.064 -12.611 245 HB3 GLU 30 HB3 GLU 30 4.567 -9.050 -12.658 246 HG2 GLU 30 HG2 GLU 30 4.563 -7.351 -10.825 247 HG3 GLU 30 HG3 GLU 30 2.807 -7.492 -10.736 248 H LYS 31 H LYS 31 1.860 -7.856 -15.213 249 HA LYS 31 HA LYS 31 3.681 -8.679 -17.361 250 HB2 LYS 31 HB2 LYS 31 0.637 -8.541 -17.253 251 HB3 LYS 31 HB3 LYS 31 1.567 -9.128 -18.640 252 HG2 LYS 31 HG2 LYS 31 2.562 -10.865 -17.157 253 HG3 LYS 31 HG3 LYS 31 1.483 -10.322 -15.868 254 HD2 LYS 31 HD2 LYS 31 -0.476 -10.954 -17.202 255 HD3 LYS 31 HD3 LYS 31 0.559 -11.394 -18.565 256 HE2 LYS 31 HE2 LYS 31 1.595 -13.175 -17.155 257 HE3 LYS 31 HE3 LYS 31 0.474 -12.770 -15.853 258 HZ1 LYS 31 HZ1 LYS 31 -1.348 -13.413 -17.246 259 HZ2 LYS 31 HZ2 LYS 31 -0.232 -14.677 -17.177 260 HZ3 LYS 31 HZ3 LYS 31 -0.321 -13.702 -18.557 261 H ASN 32 H ASN 32 1.285 -6.154 -16.664 262 HA ASN 32 HA ASN 32 2.095 -4.669 -19.080 263 HB2 ASN 32 HB2 ASN 32 -0.580 -4.643 -17.620 264 HB3 ASN 32 HB3 ASN 32 -0.203 -3.687 -19.051 265 HD21 ASN 32 HD21 ASN 32 -2.138 -5.970 -18.437 266 HD22 ASN 32 HD22 ASN 32 -1.893 -7.076 -19.738 267 HA PRO 33 HA PRO 33 3.691 -2.318 -15.364 268 HB2 PRO 33 HB2 PRO 33 5.663 -0.881 -16.681 269 HB3 PRO 33 HB3 PRO 33 5.871 -2.541 -16.103 270 HG2 PRO 33 HG2 PRO 33 5.142 -1.577 -18.873 271 HG3 PRO 33 HG3 PRO 33 6.341 -2.802 -18.398 272 HD2 PRO 33 HD2 PRO 33 3.913 -3.533 -19.293 273 HD3 PRO 33 HD3 PRO 33 4.698 -4.433 -17.973 274 H GLU 34 H GLU 34 2.764 -0.888 -18.464 275 HA GLU 34 HA GLU 34 2.615 1.838 -17.433 276 HB2 GLU 34 HB2 GLU 34 1.968 0.724 -20.195 277 HB3 GLU 34 HB3 GLU 34 2.091 2.433 -19.778 278 HG2 GLU 34 HG2 GLU 34 4.476 2.164 -19.267 279 HG3 GLU 34 HG3 GLU 34 4.370 0.434 -19.596 280 H ASP 35 H ASP 35 0.588 -0.549 -16.801 281 HA ASP 35 HA ASP 35 -1.946 0.560 -17.661 282 HB2 ASP 35 HB2 ASP 35 -1.405 -1.947 -17.214 283 HB3 ASP 35 HB3 ASP 35 -1.622 -1.571 -15.509 284 H MET 36 H MET 36 -1.784 2.694 -16.809 285 HA MET 36 HA MET 36 -1.398 3.225 -14.026 286 HB2 MET 36 HB2 MET 36 -2.141 4.981 -16.379 287 HB3 MET 36 HB3 MET 36 -2.172 5.605 -14.734 288 HG2 MET 36 HG2 MET 36 0.223 4.394 -16.130 289 HG3 MET 36 HG3 MET 36 -0.031 6.105 -15.740 290 HE1 MET 36 HE1 MET 36 2.724 4.325 -13.246 291 HE2 MET 36 HE2 MET 36 2.614 5.265 -14.730 292 HE3 MET 36 HE3 MET 36 2.228 3.543 -14.746 293 H GLU 37 H GLU 37 -4.234 2.541 -15.903 294 HA GLU 37 HA GLU 37 -6.274 3.410 -14.183 295 HB2 GLU 37 HB2 GLU 37 -6.652 2.371 -16.426 296 HB3 GLU 37 HB3 GLU 37 -6.167 0.811 -15.781 297 HG2 GLU 37 HG2 GLU 37 -8.554 0.818 -15.891 298 HG3 GLU 37 HG3 GLU 37 -8.106 0.933 -14.182 299 H TYR 38 H TYR 38 -4.405 0.347 -14.119 300 HA TYR 38 HA TYR 38 -5.505 -0.604 -11.652 301 HB2 TYR 38 HB2 TYR 38 -3.353 -1.509 -13.526 302 HB3 TYR 38 HB3 TYR 38 -3.172 -2.059 -11.860 303 HD1 TYR 38 HD1 TYR 38 -5.274 -3.160 -10.767 304 HD2 TYR 38 HD2 TYR 38 -4.835 -2.699 -14.986 305 HE1 TYR 38 HE1 TYR 38 -6.959 -4.897 -11.131 306 HE2 TYR 38 HE2 TYR 38 -6.519 -4.446 -15.354 307 HH TYR 38 HH TYR 38 -8.421 -5.747 -12.746 308 H TRP 39 H TRP 39 -2.672 1.404 -12.403 309 HA TRP 39 HA TRP 39 -1.644 1.459 -9.742 310 HB2 TRP 39 HB2 TRP 39 -1.259 3.342 -12.092 311 HB3 TRP 39 HB3 TRP 39 -0.534 3.671 -10.521 312 HD1 TRP 39 HD1 TRP 39 0.294 1.964 -13.677 313 HE1 TRP 39 HE1 TRP 39 2.321 0.421 -13.382 314 HE3 TRP 39 HE3 TRP 39 0.482 1.812 -8.565 315 HZ2 TRP 39 HZ2 TRP 39 3.780 -0.755 -11.275 316 HZ3 TRP 39 HZ3 TRP 39 2.215 0.438 -7.491 317 HH2 TRP 39 HH2 TRP 39 3.836 -0.822 -8.818 318 H ASN 40 H ASN 40 -4.256 3.287 -11.269 319 HA ASN 40 HA ASN 40 -4.677 5.215 -9.215 320 HB2 ASN 40 HB2 ASN 40 -6.716 3.921 -11.073 321 HB3 ASN 40 HB3 ASN 40 -7.009 5.365 -10.115 322 HD21 ASN 40 HD21 ASN 40 -4.200 6.328 -10.692 323 HD22 ASN 40 HD22 ASN 40 -4.275 6.870 -12.310 324 H LYS 41 H LYS 41 -6.001 1.967 -9.734 325 HA LYS 41 HA LYS 41 -7.585 1.612 -7.445 326 HB2 LYS 41 HB2 LYS 41 -5.836 -0.409 -8.914 327 HB3 LYS 41 HB3 LYS 41 -6.946 -0.874 -7.633 328 HG2 LYS 41 HG2 LYS 41 -7.737 0.419 -10.264 329 HG3 LYS 41 HG3 LYS 41 -7.853 -1.304 -9.886 330 HD2 LYS 41 HD2 LYS 41 -9.402 0.970 -8.570 331 HD3 LYS 41 HD3 LYS 41 -10.051 -0.277 -9.639 332 HE2 LYS 41 HE2 LYS 41 -8.969 -0.662 -6.822 333 HE3 LYS 41 HE3 LYS 41 -10.642 -0.828 -7.350 334 HZ1 LYS 41 HZ1 LYS 41 -8.360 -2.587 -8.078 335 HZ2 LYS 41 HZ2 LYS 41 -9.905 -2.707 -8.749 336 HZ3 LYS 41 HZ3 LYS 41 -9.686 -2.978 -7.100 337 H ILE 42 H ILE 42 -4.158 0.785 -7.842 338 HA ILE 42 HA ILE 42 -3.564 -0.101 -5.247 339 HB ILE 42 HB ILE 42 -1.780 1.111 -7.408 340 HG12 ILE 42 HG12 ILE 42 -2.108 -1.836 -6.678 341 HG13 ILE 42 HG13 ILE 42 -3.118 -1.050 -7.883 342 HG21 ILE 42 HG21 ILE 42 -0.572 1.292 -5.276 343 HG22 ILE 42 HG22 ILE 42 0.163 0.047 -6.287 344 HG23 ILE 42 HG23 ILE 42 -0.872 -0.415 -4.935 345 HD11 ILE 42 HD11 ILE 42 -1.149 -0.598 -9.251 346 HD12 ILE 42 HD12 ILE 42 -1.320 -2.318 -8.898 347 HD13 ILE 42 HD13 ILE 42 -0.123 -1.358 -8.031 348 H TYR 43 H TYR 43 -3.283 3.154 -6.674 349 HA TYR 43 HA TYR 43 -1.862 4.413 -4.586 350 HB2 TYR 43 HB2 TYR 43 -2.052 5.284 -6.924 351 HB3 TYR 43 HB3 TYR 43 -3.733 5.706 -6.617 352 HD1 TYR 43 HD2 TYR 43 -0.373 6.255 -4.998 353 HD2 TYR 43 HD1 TYR 43 -4.110 8.001 -6.127 354 HE1 TYR 43 HE2 TYR 43 0.379 8.424 -4.142 355 HE2 TYR 43 HE1 TYR 43 -3.341 10.181 -5.278 356 HH TYR 43 HH TYR 43 -0.074 10.778 -4.468 357 H ARG 44 H ARG 44 -5.368 4.223 -5.227 358 HA ARG 44 HA ARG 44 -6.288 5.887 -3.113 359 HB2 ARG 44 HB2 ARG 44 -7.670 3.558 -4.504 360 HB3 ARG 44 HB3 ARG 44 -8.486 4.702 -3.438 361 HG2 ARG 44 HG2 ARG 44 -8.102 6.521 -4.982 362 HG3 ARG 44 HG3 ARG 44 -7.066 5.510 -5.994 363 HD2 ARG 44 HD2 ARG 44 -9.008 4.056 -6.513 364 HD3 ARG 44 HD3 ARG 44 -10.043 5.101 -5.534 365 HE ARG 44 HE ARG 44 -9.476 6.916 -7.132 366 HH11 ARG 44 HH11 ARG 44 -9.173 3.657 -8.221 367 HH12 ARG 44 HH12 ARG 44 -9.416 4.078 -9.873 368 HH21 ARG 44 HH21 ARG 44 -9.783 7.430 -9.237 369 HH22 ARG 44 HH22 ARG 44 -9.750 6.195 -10.442 370 H LEU 45 H LEU 45 -5.736 2.374 -3.279 371 HA LEU 45 HA LEU 45 -6.785 1.796 -0.681 372 HB2 LEU 45 HB2 LEU 45 -4.944 0.115 -2.416 373 HB3 LEU 45 HB3 LEU 45 -5.867 -0.464 -1.034 374 HG LEU 45 HG LEU 45 -7.012 0.537 -3.676 375 HD11 LEU 45 HD11 LEU 45 -7.005 -2.259 -2.508 376 HD12 LEU 45 HD12 LEU 45 -6.034 -1.687 -3.866 377 HD13 LEU 45 HD13 LEU 45 -7.787 -1.759 -4.013 378 HD21 LEU 45 HD21 LEU 45 -9.230 -0.069 -2.820 379 HD22 LEU 45 HD22 LEU 45 -8.496 1.201 -1.849 380 HD23 LEU 45 HD23 LEU 45 -8.534 -0.457 -1.245 381 H VAL 46 H VAL 46 -3.490 2.424 -1.897 382 HA VAL 46 HA VAL 46 -2.139 1.931 0.588 383 HB VAL 46 HB VAL 46 -1.225 3.482 -1.874 384 HG11 VAL 46 HG11 VAL 46 0.020 4.327 0.082 385 HG12 VAL 46 HG12 VAL 46 1.082 3.346 -0.925 386 HG13 VAL 46 HG13 VAL 46 0.421 2.676 0.567 387 HG21 VAL 46 HG21 VAL 46 0.150 1.461 -2.324 388 HG22 VAL 46 HG22 VAL 46 -1.568 1.064 -2.267 389 HG23 VAL 46 HG23 VAL 46 -0.530 0.679 -0.893 390 H HIS 47 H HIS 47 -3.580 4.847 -0.881 391 HA HIS 47 HA HIS 47 -2.766 6.770 1.011 392 HB2 HIS 47 HB2 HIS 47 -3.938 7.432 -1.059 393 HB3 HIS 47 HB3 HIS 47 -5.406 6.630 -0.519 394 HD1 HIS 47 HD1 HIS 47 -7.044 8.103 0.686 395 HD2 HIS 47 HD2 HIS 47 -3.216 9.707 0.754 396 HE1 HIS 47 HE1 HIS 47 -7.281 10.340 1.780 397 HE2 HIS 47 HE2 HIS 47 -4.982 11.344 1.692 398 H THR 48 H THR 48 -5.426 4.434 1.078 399 HA THR 48 HA THR 48 -6.578 5.198 3.564 400 HB THR 48 HB THR 48 -6.622 2.440 2.264 401 HG1 THR 48 HG1 THR 48 -7.514 3.780 0.786 402 HG21 THR 48 HG21 THR 48 -8.524 3.689 4.291 403 HG22 THR 48 HG22 THR 48 -7.388 2.373 4.610 404 HG23 THR 48 HG23 THR 48 -8.743 2.121 3.508 405 H MET 49 H MET 49 -4.152 2.661 2.730 406 HA MET 49 HA MET 49 -3.652 1.587 5.274 407 HB2 MET 49 HB2 MET 49 -1.672 1.958 2.990 408 HB3 MET 49 HB3 MET 49 -1.431 0.887 4.367 409 HG2 MET 49 HG2 MET 49 -3.267 -0.502 3.674 410 HG3 MET 49 HG3 MET 49 -3.699 0.638 2.400 411 HE1 MET 49 HE1 MET 49 -2.454 -2.203 0.191 412 HE2 MET 49 HE2 MET 49 -3.735 -1.037 0.538 413 HE3 MET 49 HE3 MET 49 -3.399 -2.348 1.670 414 H LYS 50 H LYS 50 -2.070 4.376 3.717 415 HA LYS 50 HA LYS 50 -0.235 4.991 5.773 416 HB2 LYS 50 HB2 LYS 50 -0.122 5.905 3.441 417 HB3 LYS 50 HB3 LYS 50 -1.506 6.929 3.791 418 HG2 LYS 50 HG2 LYS 50 -0.232 8.130 5.502 419 HG3 LYS 50 HG3 LYS 50 1.146 7.055 5.273 420 HD2 LYS 50 HD2 LYS 50 1.554 9.183 4.139 421 HD3 LYS 50 HD3 LYS 50 1.404 7.890 2.947 422 HE2 LYS 50 HE2 LYS 50 0.208 9.864 2.165 423 HE3 LYS 50 HE3 LYS 50 -0.954 8.592 2.530 424 HZ1 LYS 50 HZ1 LYS 50 -1.657 10.772 3.331 425 HZ2 LYS 50 HZ2 LYS 50 -0.297 10.857 4.331 426 HZ3 LYS 50 HZ3 LYS 50 -1.468 9.672 4.605 427 H GLU 51 H GLU 51 -3.510 6.165 5.108 428 HA GLU 51 HA GLU 51 -3.844 7.950 7.223 429 HB2 GLU 51 HB2 GLU 51 -5.376 7.785 5.310 430 HB3 GLU 51 HB3 GLU 51 -5.869 6.170 5.807 431 HG2 GLU 51 HG2 GLU 51 -6.834 7.141 7.880 432 HG3 GLU 51 HG3 GLU 51 -6.405 8.748 7.299 433 H ILE 52 H ILE 52 -4.286 4.417 7.114 434 HA ILE 52 HA ILE 52 -5.504 3.945 9.606 435 HB ILE 52 HB ILE 52 -3.628 2.178 7.968 436 HG12 ILE 52 HG12 ILE 52 -6.667 2.068 8.280 437 HG13 ILE 52 HG13 ILE 52 -5.829 2.769 6.907 438 HG21 ILE 52 HG21 ILE 52 -5.273 1.336 10.387 439 HG22 ILE 52 HG22 ILE 52 -3.514 1.398 10.292 440 HG23 ILE 52 HG23 ILE 52 -4.405 0.236 9.312 441 HD11 ILE 52 HD11 ILE 52 -6.674 0.574 6.368 442 HD12 ILE 52 HD12 ILE 52 -5.794 -0.138 7.717 443 HD13 ILE 52 HD13 ILE 52 -4.911 0.552 6.351 444 H THR 53 H THR 53 -2.001 3.752 8.783 445 HA THR 53 HA THR 53 -1.170 3.426 11.493 446 HB THR 53 HB THR 53 0.296 2.538 9.843 447 HG1 THR 53 HG1 THR 53 1.736 4.792 10.672 448 HG21 THR 53 HG21 THR 53 1.535 3.894 8.208 449 HG22 THR 53 HG22 THR 53 0.643 5.328 8.720 450 HG23 THR 53 HG23 THR 53 -0.208 3.999 7.925 451 H GLU 54 H GLU 54 -1.656 6.327 9.509 452 HA GLU 54 HA GLU 54 -0.340 8.183 11.233 453 HB2 GLU 54 HB2 GLU 54 -2.514 8.556 9.145 454 HB3 GLU 54 HB3 GLU 54 -1.883 9.910 10.075 455 HG2 GLU 54 HG2 GLU 54 0.373 9.461 9.177 456 HG3 GLU 54 HG3 GLU 54 -0.264 8.115 8.236 457 H THR 55 H THR 55 -3.746 7.041 11.096 458 HA THR 55 HA THR 55 -4.610 8.707 13.298 459 HB THR 55 HB THR 55 -6.226 7.956 11.532 460 HG1 THR 55 HG1 THR 55 -6.861 7.230 14.226 461 HG21 THR 55 HG21 THR 55 -7.264 5.723 11.668 462 HG22 THR 55 HG22 THR 55 -6.116 5.249 12.922 463 HG23 THR 55 HG23 THR 55 -5.548 5.584 11.285 464 H MET 56 H MET 56 -3.193 5.522 13.031 465 HA MET 56 HA MET 56 -3.565 4.793 15.814 466 HB2 MET 56 HB2 MET 56 -1.720 3.717 13.641 467 HB3 MET 56 HB3 MET 56 -1.722 3.080 15.280 468 HG2 MET 56 HG2 MET 56 -4.100 2.442 15.016 469 HG3 MET 56 HG3 MET 56 -4.057 3.038 13.353 470 HE1 MET 56 HE1 MET 56 -4.999 0.575 12.647 471 HE2 MET 56 HE2 MET 56 -4.895 0.019 14.320 472 HE3 MET 56 HE3 MET 56 -4.147 -0.921 13.030 473 H GLY 57 H GLY 57 -1.549 7.037 14.220 474 HA2 GLY 57 HA2 GLY 57 -0.291 8.681 15.318 475 HA3 GLY 57 HA3 GLY 57 -0.159 7.652 16.731 476 H PHE 58 H PHE 58 0.635 5.701 14.173 477 HA PHE 58 HA PHE 58 3.476 5.790 14.767 478 HB2 PHE 58 HB2 PHE 58 1.766 4.053 12.953 479 HB3 PHE 58 HB3 PHE 58 3.503 3.853 13.074 480 HD1 PHE 58 HD2 PHE 58 4.484 3.274 15.391 481 HD2 PHE 58 HD1 PHE 58 0.310 2.995 14.505 482 HE1 PHE 58 HE2 PHE 58 4.170 1.762 17.307 483 HE2 PHE 58 HE1 PHE 58 0.001 1.484 16.425 484 HZ PHE 58 HZ PHE 58 1.933 0.869 17.831 485 H SER 59 H SER 59 4.132 7.847 13.902 486 HA SER 59 HA SER 59 3.848 8.494 11.106 487 HB2 SER 59 HB2 SER 59 5.662 9.672 13.242 488 HB3 SER 59 HB3 SER 59 5.504 10.316 11.607 489 HG SER 59 HG SER 59 3.555 11.056 12.052 490 H SER 60 H SER 60 6.260 6.817 13.034 491 HA SER 60 HA SER 60 8.402 6.663 11.201 492 HB2 SER 60 HB2 SER 60 7.555 4.601 13.288 493 HB3 SER 60 HB3 SER 60 9.141 4.687 12.518 494 HG SER 60 HG SER 60 8.127 6.123 14.612 495 H VAL 61 H VAL 61 5.611 4.500 11.700 496 HA VAL 61 HA VAL 61 6.193 2.682 9.557 497 HB VAL 61 HB VAL 61 3.557 3.230 10.980 498 HG11 VAL 61 HG11 VAL 61 4.343 0.820 9.296 499 HG12 VAL 61 HG12 VAL 61 3.150 2.050 8.866 500 HG13 VAL 61 HG13 VAL 61 2.852 0.974 10.232 501 HG21 VAL 61 HG21 VAL 61 5.334 2.555 12.561 502 HG22 VAL 61 HG22 VAL 61 5.632 1.093 11.612 503 HG23 VAL 61 HG23 VAL 61 4.079 1.320 12.427 504 H ALA 62 H ALA 62 4.193 5.601 9.882 505 HA ALA 62 HA ALA 62 2.826 5.565 7.434 506 HB1 ALA 62 HB1 ALA 62 2.232 7.131 9.226 507 HB2 ALA 62 HB2 ALA 62 2.519 7.990 7.708 508 HB3 ALA 62 HB3 ALA 62 3.743 8.016 8.982 509 H LYS 63 H LYS 63 6.150 6.621 8.165 510 HA LYS 63 HA LYS 63 6.869 7.837 5.740 511 HB2 LYS 63 HB2 LYS 63 8.617 6.115 7.553 512 HB3 LYS 63 HB3 LYS 63 9.228 7.155 6.265 513 HG2 LYS 63 HG2 LYS 63 8.286 9.129 7.460 514 HG3 LYS 63 HG3 LYS 63 7.772 8.058 8.770 515 HD2 LYS 63 HD2 LYS 63 10.158 7.405 9.131 516 HD3 LYS 63 HD3 LYS 63 10.641 8.539 7.865 517 HE2 LYS 63 HE2 LYS 63 9.642 10.393 9.232 518 HE3 LYS 63 HE3 LYS 63 9.322 9.225 10.517 519 HZ1 LYS 63 HZ1 LYS 63 11.350 10.425 10.925 520 HZ2 LYS 63 HZ2 LYS 63 11.986 9.957 9.432 521 HZ3 LYS 63 HZ3 LYS 63 11.711 8.797 10.630 522 H VAL 64 H VAL 64 6.777 4.384 6.579 523 HA VAL 64 HA VAL 64 7.996 3.329 4.240 524 HB VAL 64 HB VAL 64 5.897 1.966 5.994 525 HG11 VAL 64 HG11 VAL 64 8.013 0.720 4.188 526 HG12 VAL 64 HG12 VAL 64 6.278 0.767 3.866 527 HG13 VAL 64 HG13 VAL 64 6.895 -0.166 5.231 528 HG21 VAL 64 HG21 VAL 64 7.784 1.018 7.294 529 HG22 VAL 64 HG22 VAL 64 7.752 2.781 7.395 530 HG23 VAL 64 HG23 VAL 64 8.923 1.977 6.345 531 H LEU 65 H LEU 65 4.571 3.785 5.103 532 HA LEU 65 HA LEU 65 3.475 2.904 2.601 533 HB2 LEU 65 HB2 LEU 65 2.287 4.436 4.948 534 HB3 LEU 65 HB3 LEU 65 1.342 4.037 3.528 535 HG LEU 65 HG LEU 65 0.867 2.460 5.329 536 HD11 LEU 65 HD11 LEU 65 0.742 1.630 3.028 537 HD12 LEU 65 HD12 LEU 65 1.224 0.351 4.138 538 HD13 LEU 65 HD13 LEU 65 2.431 1.116 3.100 539 HD21 LEU 65 HD21 LEU 65 3.817 1.756 5.285 540 HD22 LEU 65 HD22 LEU 65 2.567 0.882 6.187 541 HD23 LEU 65 HD23 LEU 65 2.937 2.558 6.590 542 H HIS 66 H HIS 66 4.616 5.940 3.805 543 HA HIS 66 HA HIS 66 3.406 7.742 1.982 544 HB2 HIS 66 HB2 HIS 66 4.488 8.327 4.195 545 HB3 HIS 66 HB3 HIS 66 6.055 8.075 3.453 546 HD1 HIS 66 HD1 HIS 66 7.066 10.084 2.337 547 HD2 HIS 66 HD2 HIS 66 3.003 10.563 3.050 548 HE1 HIS 66 HE1 HIS 66 6.569 12.472 1.778 549 HE2 HIS 66 HE2 HIS 66 4.076 12.666 1.990 550 H THR 67 H THR 67 6.204 5.592 1.744 551 HA THR 67 HA THR 67 7.554 6.911 -0.406 552 HB THR 67 HB THR 67 8.819 4.881 -0.826 553 HG1 THR 67 HG1 THR 67 7.565 3.272 1.039 554 HG21 THR 67 HG21 THR 67 8.321 5.159 2.154 555 HG22 THR 67 HG22 THR 67 9.455 6.120 1.201 556 HG23 THR 67 HG23 THR 67 9.724 4.389 1.408 557 H ILE 68 H ILE 68 5.150 4.265 -0.395 558 HA ILE 68 HA ILE 68 5.105 3.804 -3.190 559 HB ILE 68 HB ILE 68 2.824 3.237 -1.238 560 HG12 ILE 68 HG12 ILE 68 3.855 0.767 -1.511 561 HG13 ILE 68 HG13 ILE 68 5.335 1.650 -1.862 562 HG21 ILE 68 HG21 ILE 68 2.079 1.538 -2.879 563 HG22 ILE 68 HG22 ILE 68 3.356 2.049 -3.985 564 HG23 ILE 68 HG23 ILE 68 2.058 3.166 -3.560 565 HD11 ILE 68 HD11 ILE 68 5.222 0.969 0.451 566 HD12 ILE 68 HD12 ILE 68 3.699 1.830 0.664 567 HD13 ILE 68 HD13 ILE 68 5.184 2.727 0.334 568 H MET 69 H MET 69 3.313 6.084 -1.166 569 HA MET 69 HA MET 69 1.346 7.029 -2.952 570 HB2 MET 69 HB2 MET 69 2.919 8.624 -0.878 571 HB3 MET 69 HB3 MET 69 1.387 9.116 -1.595 572 HG2 MET 69 HG2 MET 69 1.682 6.585 0.002 573 HG3 MET 69 HG3 MET 69 1.322 8.145 0.732 574 HE1 MET 69 HE1 MET 69 -0.582 9.392 -1.681 575 HE2 MET 69 HE2 MET 69 -0.893 9.583 0.046 576 HE3 MET 69 HE3 MET 69 -2.158 8.965 -1.015 577 H ASN 70 H ASN 70 4.536 8.381 -2.259 578 HA ASN 70 HA ASN 70 4.636 10.383 -4.257 579 HB2 ASN 70 HB2 ASN 70 6.710 8.940 -2.574 580 HB3 ASN 70 HB3 ASN 70 7.163 10.241 -3.680 581 HD21 ASN 70 HD21 ASN 70 6.484 12.376 -3.182 582 HD22 ASN 70 HD22 ASN 70 5.952 12.806 -1.598 583 H LEU 71 H LEU 71 5.478 7.021 -4.222 584 HA LEU 71 HA LEU 71 7.154 6.883 -6.508 585 HB2 LEU 71 HB2 LEU 71 7.004 5.307 -4.520 586 HB3 LEU 71 HB3 LEU 71 5.513 4.679 -5.187 587 HG LEU 71 HG LEU 71 8.147 4.528 -6.681 588 HD11 LEU 71 HD11 LEU 71 8.477 3.408 -4.512 589 HD12 LEU 71 HD12 LEU 71 8.434 2.225 -5.817 590 HD13 LEU 71 HD13 LEU 71 7.025 2.434 -4.773 591 HD21 LEU 71 HD21 LEU 71 7.054 2.614 -7.849 592 HD22 LEU 71 HD22 LEU 71 6.173 4.120 -8.076 593 HD23 LEU 71 HD23 LEU 71 5.574 2.918 -6.932 594 H VAL 72 H VAL 72 3.761 5.819 -6.026 595 HA VAL 72 HA VAL 72 3.233 5.083 -8.714 596 HB VAL 72 HB VAL 72 1.280 5.731 -6.455 597 HG11 VAL 72 HG11 VAL 72 0.738 4.263 -9.070 598 HG12 VAL 72 HG12 VAL 72 0.120 5.857 -8.631 599 HG13 VAL 72 HG13 VAL 72 -0.406 4.432 -7.734 600 HG21 VAL 72 HG21 VAL 72 2.367 3.047 -7.397 601 HG22 VAL 72 HG22 VAL 72 1.156 3.279 -6.133 602 HG23 VAL 72 HG23 VAL 72 2.801 3.870 -5.897 603 H ASP 73 H ASP 73 2.545 8.042 -6.870 604 HA ASP 73 HA ASP 73 0.924 9.400 -8.723 605 HB2 ASP 73 HB2 ASP 73 1.155 10.032 -6.330 606 HB3 ASP 73 HB3 ASP 73 2.804 10.574 -6.628 607 H LYS 74 H LYS 74 4.473 9.279 -8.427 608 HA LYS 74 HA LYS 74 4.924 11.231 -10.515 609 HB2 LYS 74 HB2 LYS 74 6.766 9.468 -8.902 610 HB3 LYS 74 HB3 LYS 74 7.371 10.367 -10.299 611 HG2 LYS 74 HG2 LYS 74 6.543 12.476 -9.282 612 HG3 LYS 74 HG3 LYS 74 6.008 11.565 -7.858 613 HD2 LYS 74 HD2 LYS 74 8.364 10.903 -7.434 614 HD3 LYS 74 HD3 LYS 74 8.873 11.840 -8.843 615 HE2 LYS 74 HE2 LYS 74 7.999 13.904 -7.753 616 HE3 LYS 74 HE3 LYS 74 7.553 12.952 -6.336 617 HZ1 LYS 74 HZ1 LYS 74 9.887 12.394 -6.044 618 HZ2 LYS 74 HZ2 LYS 74 9.642 14.066 -6.008 619 HZ3 LYS 74 HZ3 LYS 74 10.297 13.340 -7.387 620 H MET 75 H MET 75 5.094 7.643 -10.370 621 HA MET 75 HA MET 75 5.963 7.254 -13.042 622 HB2 MET 75 HB2 MET 75 4.194 5.412 -11.388 623 HB3 MET 75 HB3 MET 75 5.014 4.963 -12.877 624 HG2 MET 75 HG2 MET 75 7.195 5.562 -11.659 625 HG3 MET 75 HG3 MET 75 6.227 5.557 -10.180 626 HE1 MET 75 HE1 MET 75 4.881 1.755 -10.386 627 HE2 MET 75 HE2 MET 75 4.138 3.055 -11.314 628 HE3 MET 75 HE3 MET 75 4.604 3.328 -9.634 629 H LEU 76 H LEU 76 2.810 7.937 -11.688 630 HA LEU 76 HA LEU 76 0.979 7.269 -13.644 631 HB2 LEU 76 HB2 LEU 76 0.877 8.568 -11.218 632 HB3 LEU 76 HB3 LEU 76 0.583 9.924 -12.277 633 HG LEU 76 HG LEU 76 -1.529 9.085 -11.468 634 HD11 LEU 76 HD11 LEU 76 -1.563 9.887 -13.768 635 HD12 LEU 76 HD12 LEU 76 -2.762 8.624 -13.503 636 HD13 LEU 76 HD13 LEU 76 -1.264 8.250 -14.360 637 HD21 LEU 76 HD21 LEU 76 -0.829 6.811 -10.864 638 HD22 LEU 76 HD22 LEU 76 -0.802 6.353 -12.568 639 HD23 LEU 76 HD23 LEU 76 -2.325 6.801 -11.795 640 H ASN 77 H ASN 77 2.957 10.256 -13.466 641 HA ASN 77 HA ASN 77 2.146 11.116 -16.142 642 HB2 ASN 77 HB2 ASN 77 4.038 12.903 -15.731 643 HB3 ASN 77 HB3 ASN 77 2.526 13.037 -14.852 644 HD21 ASN 77 HD21 ASN 77 2.514 12.328 -12.623 645 HD22 ASN 77 HD22 ASN 77 3.978 12.347 -11.715 646 H SER 78 H SER 78 3.331 11.040 -17.947 647 HA SER 78 HA SER 78 5.130 8.852 -18.314 648 HB2 SER 78 HB2 SER 78 4.118 11.015 -20.192 649 HB3 SER 78 HB3 SER 78 5.084 9.637 -20.731 650 HG SER 78 HG SER 78 2.451 9.705 -19.741 651 H GLU 79 H GLU 79 5.868 11.952 -17.200 652 HA GLU 79 HA GLU 79 8.345 12.381 -18.649 653 HB2 GLU 79 HB2 GLU 79 8.642 14.327 -17.322 654 HB3 GLU 79 HB3 GLU 79 6.907 14.214 -17.567 655 HG2 GLU 79 HG2 GLU 79 6.587 13.371 -15.317 656 HG3 GLU 79 HG3 GLU 79 8.326 13.337 -15.045 657 H ILE 80 H ILE 80 7.319 10.896 -15.663 658 HA ILE 80 HA ILE 80 10.034 10.140 -14.831 659 HB ILE 80 HB ILE 80 7.331 9.587 -13.523 660 HG12 ILE 80 HG12 ILE 80 7.989 12.053 -13.710 661 HG13 ILE 80 HG13 ILE 80 7.637 11.487 -12.109 662 HG21 ILE 80 HG21 ILE 80 8.621 9.071 -11.467 663 HG22 ILE 80 HG22 ILE 80 10.126 9.244 -12.371 664 HG23 ILE 80 HG23 ILE 80 8.993 7.955 -12.784 665 HD11 ILE 80 HD11 ILE 80 9.551 12.987 -12.157 666 HD12 ILE 80 HD12 ILE 80 10.398 11.909 -13.264 667 HD13 ILE 80 HD13 ILE 80 10.038 11.384 -11.615 668 H LYS 81 H LYS 81 6.854 8.564 -15.364 669 HA LYS 81 HA LYS 81 6.162 6.565 -16.174 670 HB2 LYS 81 HB2 LYS 81 7.639 7.305 -18.126 671 HB3 LYS 81 HB3 LYS 81 8.904 6.283 -17.468 672 HG2 LYS 81 HG2 LYS 81 7.419 4.301 -17.789 673 HG3 LYS 81 HG3 LYS 81 6.204 5.358 -18.515 674 HD2 LYS 81 HD2 LYS 81 7.780 5.932 -20.331 675 HD3 LYS 81 HD3 LYS 81 9.023 4.914 -19.592 676 HE2 LYS 81 HE2 LYS 81 7.610 2.924 -19.953 677 HE3 LYS 81 HE3 LYS 81 6.342 3.936 -20.648 678 HZ1 LYS 81 HZ1 LYS 81 7.592 2.900 -22.378 679 HZ2 LYS 81 HZ2 LYS 81 9.053 3.482 -21.760 680 HZ3 LYS 81 HZ3 LYS 81 7.921 4.558 -22.405 681 H ILE 82 H ILE 82 6.909 4.093 -16.263 682 HA ILE 82 HA ILE 82 7.430 3.412 -13.503 683 HB ILE 82 HB ILE 82 6.750 1.563 -15.825 684 HG12 ILE 82 HG12 ILE 82 4.363 1.630 -14.659 685 HG13 ILE 82 HG13 ILE 82 4.904 3.210 -14.098 686 HG21 ILE 82 HG21 ILE 82 6.484 1.115 -12.827 687 HG22 ILE 82 HG22 ILE 82 7.695 0.385 -13.885 688 HG23 ILE 82 HG23 ILE 82 5.991 -0.023 -14.086 689 HD11 ILE 82 HD11 ILE 82 4.756 2.333 -16.987 690 HD12 ILE 82 HD12 ILE 82 5.190 3.942 -16.399 691 HD13 ILE 82 HD13 ILE 82 3.564 3.316 -16.143 692 H THR 83 H THR 83 9.312 2.540 -12.787 693 HA THR 83 HA THR 83 11.517 2.277 -14.669 694 HB THR 83 HB THR 83 11.643 2.060 -11.632 695 HG1 THR 83 HG1 THR 83 11.767 4.388 -13.296 696 HG21 THR 83 HG21 THR 83 13.784 2.932 -13.630 697 HG22 THR 83 HG22 THR 83 13.742 1.379 -12.795 698 HG23 THR 83 HG23 THR 83 13.970 2.864 -11.874 699 H SER 84 H SER 84 9.349 0.258 -14.527 700 HA SER 84 HA SER 84 8.923 -1.935 -14.734 701 HB2 SER 84 HB2 SER 84 11.886 -2.030 -15.387 702 HB3 SER 84 HB3 SER 84 10.776 -3.379 -15.650 703 HG SER 84 HG SER 84 9.939 -2.382 -17.323 704 H ASP 85 H ASP 85 12.176 -2.337 -13.297 705 HA ASP 85 HA ASP 85 11.542 -4.399 -11.489 706 HB2 ASP 85 HB2 ASP 85 13.775 -2.334 -11.301 707 HB3 ASP 85 HB3 ASP 85 13.722 -3.877 -10.444 708 H LEU 86 H LEU 86 11.101 -0.969 -11.248 709 HA LEU 86 HA LEU 86 11.046 -0.603 -8.456 710 HB2 LEU 86 HB2 LEU 86 11.143 1.172 -10.266 711 HB3 LEU 86 HB3 LEU 86 9.425 0.917 -10.515 712 HG LEU 86 HG LEU 86 9.063 1.568 -8.087 713 HD11 LEU 86 HD11 LEU 86 11.964 2.449 -8.206 714 HD12 LEU 86 HD12 LEU 86 11.299 1.158 -7.202 715 HD13 LEU 86 HD13 LEU 86 10.811 2.826 -6.921 716 HD21 LEU 86 HD21 LEU 86 10.267 3.655 -9.937 717 HD22 LEU 86 HD22 LEU 86 9.260 3.986 -8.525 718 HD23 LEU 86 HD23 LEU 86 8.582 3.113 -9.896 719 H ILE 87 H ILE 87 8.494 -1.692 -10.669 720 HA ILE 87 HA ILE 87 6.250 -1.722 -9.038 721 HB ILE 87 HB ILE 87 7.111 -3.954 -10.947 722 HG12 ILE 87 HG12 ILE 87 5.371 -1.522 -11.562 723 HG13 ILE 87 HG13 ILE 87 7.059 -1.694 -12.033 724 HG21 ILE 87 HG21 ILE 87 4.310 -3.284 -9.972 725 HG22 ILE 87 HG22 ILE 87 5.257 -4.700 -9.516 726 HG23 ILE 87 HG23 ILE 87 4.711 -4.508 -11.181 727 HD11 ILE 87 HD11 ILE 87 5.580 -2.150 -13.896 728 HD12 ILE 87 HD12 ILE 87 4.764 -3.418 -12.984 729 HD13 ILE 87 HD13 ILE 87 6.456 -3.615 -13.450 730 H ASP 88 H ASP 88 9.088 -3.866 -8.954 731 HA ASP 88 HA ASP 88 8.096 -5.824 -7.123 732 HB2 ASP 88 HB2 ASP 88 10.047 -6.221 -8.620 733 HB3 ASP 88 HB3 ASP 88 10.978 -5.030 -7.728 734 H LYS 89 H LYS 89 9.650 -2.678 -6.695 735 HA LYS 89 HA LYS 89 10.108 -2.888 -3.875 736 HB2 LYS 89 HB2 LYS 89 11.282 -1.229 -5.311 737 HB3 LYS 89 HB3 LYS 89 9.774 -0.375 -5.566 738 HG2 LYS 89 HG2 LYS 89 9.709 0.481 -3.382 739 HG3 LYS 89 HG3 LYS 89 10.769 -0.778 -2.745 740 HD2 LYS 89 HD2 LYS 89 11.661 1.452 -4.621 741 HD3 LYS 89 HD3 LYS 89 11.867 1.473 -2.865 742 HE2 LYS 89 HE2 LYS 89 13.285 -0.558 -3.015 743 HE3 LYS 89 HE3 LYS 89 13.083 -0.573 -4.769 744 HZ1 LYS 89 HZ1 LYS 89 15.173 0.410 -4.085 745 HZ2 LYS 89 HZ2 LYS 89 14.357 1.600 -3.206 746 HZ3 LYS 89 HZ3 LYS 89 14.206 1.538 -4.887 747 H VAL 90 H VAL 90 7.438 -1.604 -5.837 748 HA VAL 90 HA VAL 90 5.723 -0.742 -3.752 749 HB VAL 90 HB VAL 90 4.784 -1.979 -6.394 750 HG11 VAL 90 HG11 VAL 90 2.974 -1.575 -4.767 751 HG12 VAL 90 HG12 VAL 90 2.828 -0.473 -6.134 752 HG13 VAL 90 HG13 VAL 90 3.474 0.110 -4.598 753 HG21 VAL 90 HG21 VAL 90 6.480 -0.296 -6.923 754 HG22 VAL 90 HG22 VAL 90 5.667 0.893 -5.901 755 HG23 VAL 90 HG23 VAL 90 4.883 0.307 -7.370 756 H LYS 91 H LYS 91 6.027 -3.890 -5.404 757 HA LYS 91 HA LYS 91 4.176 -5.414 -3.965 758 HB2 LYS 91 HB2 LYS 91 6.776 -6.177 -5.347 759 HB3 LYS 91 HB3 LYS 91 5.830 -7.390 -4.498 760 HG2 LYS 91 HG2 LYS 91 4.387 -5.736 -6.524 761 HG3 LYS 91 HG3 LYS 91 5.568 -6.887 -7.138 762 HD2 LYS 91 HD2 LYS 91 3.268 -7.822 -7.103 763 HD3 LYS 91 HD3 LYS 91 4.374 -8.753 -6.106 764 HE2 LYS 91 HE2 LYS 91 2.655 -6.643 -4.809 765 HE3 LYS 91 HE3 LYS 91 1.934 -8.189 -5.252 766 HZ1 LYS 91 HZ1 LYS 91 2.738 -8.127 -2.951 767 HZ2 LYS 91 HZ2 LYS 91 4.319 -7.890 -3.494 768 HZ3 LYS 91 HZ3 LYS 91 3.506 -9.323 -3.860 769 H LYS 92 H LYS 92 7.618 -4.802 -3.265 770 HA LYS 92 HA LYS 92 7.870 -6.701 -1.199 771 HB2 LYS 92 HB2 LYS 92 9.712 -5.739 -2.639 772 HB3 LYS 92 HB3 LYS 92 9.644 -4.292 -1.656 773 HG2 LYS 92 HG2 LYS 92 11.407 -5.454 -0.664 774 HG3 LYS 92 HG3 LYS 92 10.029 -5.912 0.346 775 HD2 LYS 92 HD2 LYS 92 11.319 -7.908 -0.087 776 HD3 LYS 92 HD3 LYS 92 9.805 -8.043 -0.982 777 HE2 LYS 92 HE2 LYS 92 12.413 -7.116 -2.260 778 HE3 LYS 92 HE3 LYS 92 11.908 -8.802 -2.214 779 HZ1 LYS 92 HZ1 LYS 92 10.446 -6.585 -3.540 780 HZ2 LYS 92 HZ2 LYS 92 9.929 -8.189 -3.478 781 HZ3 LYS 92 HZ3 LYS 92 11.342 -7.791 -4.310 782 H LYS 93 H LYS 93 7.659 -3.161 -1.106 783 HA LYS 93 HA LYS 93 7.621 -2.708 1.647 784 HB2 LYS 93 HB2 LYS 93 6.297 -1.170 -0.620 785 HB3 LYS 93 HB3 LYS 93 6.327 -0.578 1.032 786 HG2 LYS 93 HG2 LYS 93 8.734 -1.098 -0.738 787 HG3 LYS 93 HG3 LYS 93 8.078 0.481 -0.288 788 HD2 LYS 93 HD2 LYS 93 8.646 0.017 2.093 789 HD3 LYS 93 HD3 LYS 93 9.312 -1.551 1.621 790 HE2 LYS 93 HE2 LYS 93 10.983 -0.343 0.186 791 HE3 LYS 93 HE3 LYS 93 10.356 1.185 0.816 792 HZ1 LYS 93 HZ1 LYS 93 12.309 0.471 2.012 793 HZ2 LYS 93 HZ2 LYS 93 11.566 -0.992 2.419 794 HZ3 LYS 93 HZ3 LYS 93 10.964 0.462 3.037 795 H LEU 94 H LEU 94 4.895 -3.173 -0.575 796 HA LEU 94 HA LEU 94 2.785 -2.998 1.303 797 HB2 LEU 94 HB2 LEU 94 2.664 -2.615 -1.153 798 HB3 LEU 94 HB3 LEU 94 2.901 -4.321 -1.435 799 HG LEU 94 HG LEU 94 0.525 -3.296 -1.669 800 HD11 LEU 94 HD11 LEU 94 0.846 -5.830 -0.059 801 HD12 LEU 94 HD12 LEU 94 0.930 -5.684 -1.815 802 HD13 LEU 94 HD13 LEU 94 -0.583 -5.345 -0.981 803 HD21 LEU 94 HD21 LEU 94 0.585 -3.573 1.345 804 HD22 LEU 94 HD22 LEU 94 -0.835 -3.228 0.356 805 HD23 LEU 94 HD23 LEU 94 0.485 -2.064 0.435 806 H ASP 95 H ASP 95 4.674 -5.715 0.131 807 HA ASP 95 HA ASP 95 3.320 -7.864 1.381 808 HB2 ASP 95 HB2 ASP 95 6.148 -7.445 0.333 809 HB3 ASP 95 HB3 ASP 95 5.739 -8.933 1.173 810 H MET 96 H MET 96 5.979 -5.783 2.362 811 HA MET 96 HA MET 96 6.631 -7.034 4.813 812 HB2 MET 96 HB2 MET 96 8.247 -5.685 3.582 813 HB3 MET 96 HB3 MET 96 7.239 -4.257 3.731 814 HG2 MET 96 HG2 MET 96 9.169 -4.217 5.256 815 HG3 MET 96 HG3 MET 96 7.645 -4.188 6.135 816 HE1 MET 96 HE1 MET 96 10.655 -6.529 4.978 817 HE2 MET 96 HE2 MET 96 9.237 -7.448 4.469 818 HE3 MET 96 HE3 MET 96 10.235 -8.032 5.799 819 H VAL 97 H VAL 97 4.172 -4.607 3.988 820 HA VAL 97 HA VAL 97 3.757 -3.450 6.519 821 HB VAL 97 HB VAL 97 1.620 -3.951 4.400 822 HG11 VAL 97 HG11 VAL 97 1.638 -1.942 6.695 823 HG12 VAL 97 HG12 VAL 97 0.587 -3.353 6.554 824 HG13 VAL 97 HG13 VAL 97 0.422 -2.017 5.415 825 HG21 VAL 97 HG21 VAL 97 2.110 -1.636 3.630 826 HG22 VAL 97 HG22 VAL 97 3.502 -2.704 3.456 827 HG23 VAL 97 HG23 VAL 97 3.444 -1.549 4.787 828 H THR 98 H THR 98 2.350 -6.470 5.185 829 HA THR 98 HA THR 98 0.751 -7.231 7.399 830 HB THR 98 HB THR 98 2.284 -9.212 5.635 831 HG1 THR 98 HG1 THR 98 0.257 -9.096 4.347 832 HG21 THR 98 HG21 THR 98 0.320 -10.677 6.003 833 HG22 THR 98 HG22 THR 98 -0.427 -9.439 7.011 834 HG23 THR 98 HG23 THR 98 1.061 -10.225 7.542 835 H ARG 99 H ARG 99 4.148 -7.797 6.647 836 HA ARG 99 HA ARG 99 4.739 -9.624 8.758 837 HB2 ARG 99 HB2 ARG 99 5.856 -9.536 6.507 838 HB3 ARG 99 HB3 ARG 99 6.610 -8.023 6.977 839 HG2 ARG 99 HG2 ARG 99 8.147 -9.948 7.144 840 HG3 ARG 99 HG3 ARG 99 7.915 -9.139 8.693 841 HD2 ARG 99 HD2 ARG 99 6.479 -10.901 9.494 842 HD3 ARG 99 HD3 ARG 99 6.358 -11.622 7.889 843 HE ARG 99 HE ARG 99 8.758 -12.184 8.090 844 HH11 ARG 99 HH11 ARG 99 7.003 -11.648 11.042 845 HH12 ARG 99 HH12 ARG 99 8.048 -12.676 11.949 846 HH21 ARG 99 HH21 ARG 99 10.043 -13.509 9.274 847 HH22 ARG 99 HH22 ARG 99 9.743 -13.718 10.965 848 H GLU 100 H GLU 100 5.119 -6.128 8.402 849 HA GLU 100 HA GLU 100 6.682 -5.793 10.799 850 HB2 GLU 100 HB2 GLU 100 6.782 -3.428 10.267 851 HB3 GLU 100 HB3 GLU 100 7.105 -4.356 8.819 852 HG2 GLU 100 HG2 GLU 100 5.768 -2.659 7.988 853 HG3 GLU 100 HG3 GLU 100 4.587 -3.935 8.268 854 H LEU 101 H LEU 101 3.276 -5.477 9.878 855 HA LEU 101 HA LEU 101 2.375 -4.375 12.371 856 HB2 LEU 101 HB2 LEU 101 1.077 -4.360 10.171 857 HB3 LEU 101 HB3 LEU 101 0.743 -6.065 10.429 858 HG LEU 101 HG LEU 101 -0.446 -5.486 12.567 859 HD11 LEU 101 HD11 LEU 101 -0.055 -2.596 11.728 860 HD12 LEU 101 HD12 LEU 101 0.685 -3.388 13.122 861 HD13 LEU 101 HD13 LEU 101 -1.062 -3.168 13.063 862 HD21 LEU 101 HD21 LEU 101 -2.476 -4.559 11.563 863 HD22 LEU 101 HD22 LEU 101 -1.755 -5.776 10.512 864 HD23 LEU 101 HD23 LEU 101 -1.564 -4.062 10.135 865 H ASP 102 H ASP 102 2.992 -7.629 11.186 866 HA ASP 102 HA ASP 102 2.128 -9.206 13.349 867 HB2 ASP 102 HB2 ASP 102 2.867 -10.180 11.230 868 HB3 ASP 102 HB3 ASP 102 4.481 -9.528 11.447 869 H LYS 103 H LYS 103 4.966 -7.147 13.016 870 HA LYS 103 HA LYS 103 6.324 -7.910 15.433 871 HB2 LYS 103 HB2 LYS 103 7.554 -6.887 13.607 872 HB3 LYS 103 HB3 LYS 103 6.516 -5.472 13.632 873 HG2 LYS 103 HG2 LYS 103 7.433 -4.820 15.828 874 HG3 LYS 103 HG3 LYS 103 8.466 -6.251 15.819 875 HD2 LYS 103 HD2 LYS 103 9.758 -4.292 15.127 876 HD3 LYS 103 HD3 LYS 103 9.602 -5.418 13.777 877 HE2 LYS 103 HE2 LYS 103 7.721 -4.006 12.883 878 HE3 LYS 103 HE3 LYS 103 8.014 -2.849 14.184 879 HZ1 LYS 103 HZ1 LYS 103 10.275 -2.579 13.320 880 HZ2 LYS 103 HZ2 LYS 103 9.097 -2.146 12.190 881 HZ3 LYS 103 HZ3 LYS 103 9.909 -3.620 12.041 882 H LYS 104 H LYS 104 3.849 -5.466 14.647 883 HA LYS 104 HA LYS 104 3.812 -4.019 17.097 884 HB2 LYS 104 HB2 LYS 104 1.731 -4.466 14.935 885 HB3 LYS 104 HB3 LYS 104 1.267 -3.650 16.415 886 HG2 LYS 104 HG2 LYS 104 1.765 -2.105 14.542 887 HG3 LYS 104 HG3 LYS 104 2.762 -1.811 15.969 888 HD2 LYS 104 HD2 LYS 104 4.687 -2.808 14.932 889 HD3 LYS 104 HD3 LYS 104 3.719 -3.461 13.610 890 HE2 LYS 104 HE2 LYS 104 4.133 -0.498 14.108 891 HE3 LYS 104 HE3 LYS 104 5.085 -1.468 12.979 892 HZ1 LYS 104 HZ1 LYS 104 3.324 -0.328 11.821 893 HZ2 LYS 104 HZ2 LYS 104 2.152 -1.009 12.830 894 HZ3 LYS 104 HZ3 LYS 104 3.039 -1.995 11.780 895 H VAL 105 H VAL 105 1.912 -6.868 16.029 896 HA VAL 105 HA VAL 105 0.581 -7.200 18.570 897 HB VAL 105 HB VAL 105 -0.400 -9.246 17.651 898 HG11 VAL 105 HG11 VAL 105 -0.373 -7.001 15.591 899 HG12 VAL 105 HG12 VAL 105 -1.432 -7.108 16.999 900 HG13 VAL 105 HG13 VAL 105 -1.582 -8.286 15.694 901 HG21 VAL 105 HG21 VAL 105 0.165 -10.085 15.380 902 HG22 VAL 105 HG22 VAL 105 1.548 -10.185 16.468 903 HG23 VAL 105 HG23 VAL 105 1.467 -8.897 15.267 904 H SER 106 H SER 106 3.594 -8.352 17.220 905 HA SER 106 HA SER 106 4.189 -10.432 19.082 906 HB2 SER 106 HB2 SER 106 5.507 -10.161 17.019 907 HB3 SER 106 HB3 SER 106 6.064 -8.576 17.543 908 HG SER 106 HG SER 106 6.588 -10.961 19.000 909 H GLY 107 H GLY 107 3.958 -7.024 19.471 910 HA2 GLY 107 HA2 GLY 107 4.056 -5.789 21.452 911 HA3 GLY 107 HA3 GLY 107 4.891 -7.117 22.247 912 H SER 108 H SER 108 7.114 -7.588 21.075 913 HA SER 108 HA SER 108 8.499 -5.306 19.951 914 HB2 SER 108 HB2 SER 108 8.730 -4.801 22.361 915 HB3 SER 108 HB3 SER 108 9.379 -6.413 22.658 916 HG SER 108 HG SER 108 10.727 -4.271 22.058 917 H TYR 109 H TYR 109 8.794 -6.687 18.165 918 HA TYR 109 HA TYR 109 10.441 -9.093 18.434 919 HB2 TYR 109 HB2 TYR 109 8.593 -9.126 16.817 920 HB3 TYR 109 HB3 TYR 109 9.247 -7.720 15.989 921 HD1 TYR 109 HD1 TYR 109 10.634 -11.065 17.088 922 HD2 TYR 109 HD2 TYR 109 10.134 -8.285 13.870 923 HE1 TYR 109 HE1 TYR 109 11.863 -12.574 15.587 924 HE2 TYR 109 HE2 TYR 109 11.368 -9.805 12.373 925 HH TYR 109 HH TYR 109 12.052 -13.027 13.163 926 H LEU 110 H LEU 110 10.704 -6.099 16.427 927 HA LEU 110 HA LEU 110 13.589 -5.913 17.067 928 HB2 LEU 110 HB2 LEU 110 12.326 -5.736 14.304 929 HB3 LEU 110 HB3 LEU 110 13.949 -5.153 14.646 930 HG LEU 110 HG LEU 110 13.038 -8.050 14.945 931 HD11 LEU 110 HD11 LEU 110 14.429 -8.531 12.972 932 HD12 LEU 110 HD12 LEU 110 14.764 -6.809 12.774 933 HD13 LEU 110 HD13 LEU 110 13.118 -7.419 12.582 934 HD21 LEU 110 HD21 LEU 110 14.821 -7.487 16.533 935 HD22 LEU 110 HD22 LEU 110 15.817 -6.851 15.223 936 HD23 LEU 110 HD23 LEU 110 15.426 -8.571 15.282 937 H VAL 111 H VAL 111 13.704 -4.098 18.249 938 HA VAL 111 HA VAL 111 11.979 -1.822 17.934 939 HB VAL 111 HB VAL 111 13.401 -0.759 19.721 940 HG11 VAL 111 HG11 VAL 111 11.458 -2.119 20.363 941 HG12 VAL 111 HG12 VAL 111 12.755 -2.320 21.539 942 HG13 VAL 111 HG13 VAL 111 12.446 -3.583 20.346 943 HG21 VAL 111 HG21 VAL 111 15.593 -1.766 19.170 944 HG22 VAL 111 HG22 VAL 111 14.995 -3.360 19.634 945 HG23 VAL 111 HG23 VAL 111 15.166 -2.094 20.852 946 HA PRO 112 HA PRO 112 14.510 0.334 14.868 947 HB2 PRO 112 HB2 PRO 112 13.249 2.752 14.825 948 HB3 PRO 112 HB3 PRO 112 12.515 1.288 14.154 949 HG2 PRO 112 HG2 PRO 112 12.019 2.606 16.820 950 HG3 PRO 112 HG3 PRO 112 10.848 1.915 15.680 951 HD2 PRO 112 HD2 PRO 112 11.747 0.580 17.919 952 HD3 PRO 112 HD3 PRO 112 11.181 -0.247 16.451 953 H ARG 113 H ARG 113 16.492 0.365 15.983 954 HA ARG 113 HA ARG 113 17.198 2.842 17.465 955 HB2 ARG 113 HB2 ARG 113 18.607 0.139 17.365 956 HB3 ARG 113 HB3 ARG 113 19.216 1.552 18.225 957 HG2 ARG 113 HG2 ARG 113 17.288 1.506 19.739 958 HG3 ARG 113 HG3 ARG 113 16.580 0.159 18.836 959 HD2 ARG 113 HD2 ARG 113 19.223 0.088 20.342 960 HD3 ARG 113 HD3 ARG 113 17.700 -0.590 20.918 961 HE ARG 113 HE ARG 113 17.801 -2.098 18.934 962 HH11 ARG 113 HH11 ARG 113 20.763 -0.831 20.207 963 HH12 ARG 113 HH12 ARG 113 21.694 -2.146 19.584 964 HH21 ARG 113 HH21 ARG 113 19.018 -3.752 18.163 965 HH22 ARG 113 HH22 ARG 113 20.724 -3.774 18.432 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -20.698 -2.229 13.220 2 H2 MET 1 H2 MET 1 -19.578 -3.336 13.837 3 H3 MET 1 H3 MET 1 -19.048 -1.859 13.209 4 HA MET 1 HA MET 1 -20.123 -0.648 14.943 5 HB2 MET 1 HB2 MET 1 -22.037 -2.180 15.265 6 HB3 MET 1 HB3 MET 1 -20.978 -3.388 15.979 7 HG2 MET 1 HG2 MET 1 -22.304 -2.158 17.670 8 HG3 MET 1 HG3 MET 1 -20.568 -1.952 17.901 9 HE1 MET 1 HE1 MET 1 -23.310 1.331 16.106 10 HE2 MET 1 HE2 MET 1 -23.899 -0.250 16.621 11 HE3 MET 1 HE3 MET 1 -22.865 -0.114 15.198 12 H GLY 2 H GLY 2 -18.799 0.031 16.594 13 HA2 GLY 2 HA2 GLY 2 -17.182 -1.549 18.259 14 HA3 GLY 2 HA3 GLY 2 -16.196 -1.047 16.891 15 H SER 3 H SER 3 -17.128 -0.199 19.992 16 HA SER 3 HA SER 3 -17.393 2.610 19.892 17 HB2 SER 3 HB2 SER 3 -16.302 0.899 22.167 18 HB3 SER 3 HB3 SER 3 -16.852 2.569 22.317 19 HG SER 3 HG SER 3 -18.904 1.940 22.026 20 H HIS 4 H HIS 4 -14.453 0.795 20.964 21 HA HIS 4 HA HIS 4 -12.740 2.676 19.454 22 HB2 HIS 4 HB2 HIS 4 -12.407 2.059 22.421 23 HB3 HIS 4 HB3 HIS 4 -11.126 2.758 21.432 24 HD1 HIS 4 HD1 HIS 4 -13.903 3.728 23.535 25 HD2 HIS 4 HD2 HIS 4 -11.989 5.335 20.221 26 HE1 HIS 4 HE1 HIS 4 -14.566 6.143 23.488 27 HE2 HIS 4 HE2 HIS 4 -13.569 7.020 21.356 28 H GLN 5 H GLN 5 -12.365 -0.144 21.654 29 HA GLN 5 HA GLN 5 -9.947 -1.029 20.482 30 HB2 GLN 5 HB2 GLN 5 -11.790 -2.783 22.155 31 HB3 GLN 5 HB3 GLN 5 -10.054 -2.954 21.942 32 HG2 GLN 5 HG2 GLN 5 -10.056 -2.010 24.030 33 HG3 GLN 5 HG3 GLN 5 -10.034 -0.527 23.081 34 HE21 GLN 5 HE21 GLN 5 -10.947 -0.751 25.744 35 HE22 GLN 5 HE22 GLN 5 -12.630 -0.378 25.784 36 H GLU 6 H GLU 6 -13.297 -2.176 20.170 37 HA GLU 6 HA GLU 6 -12.870 -4.233 18.277 38 HB2 GLU 6 HB2 GLU 6 -15.334 -2.541 18.843 39 HB3 GLU 6 HB3 GLU 6 -15.337 -3.905 17.726 40 HG2 GLU 6 HG2 GLU 6 -14.698 -4.058 20.689 41 HG3 GLU 6 HG3 GLU 6 -16.233 -4.506 19.940 42 H TYR 7 H TYR 7 -13.449 -0.747 17.850 43 HA TYR 7 HA TYR 7 -13.763 -0.751 15.026 44 HB2 TYR 7 HB2 TYR 7 -14.469 1.200 16.301 45 HB3 TYR 7 HB3 TYR 7 -12.841 1.460 16.916 46 HD1 TYR 7 HD1 TYR 7 -14.842 1.453 13.739 47 HD2 TYR 7 HD2 TYR 7 -11.315 2.880 15.700 48 HE1 TYR 7 HE1 TYR 7 -14.340 2.886 11.806 49 HE2 TYR 7 HE2 TYR 7 -10.822 4.323 13.766 50 HH TYR 7 HH TYR 7 -13.069 4.921 11.273 51 H ILE 8 H ILE 8 -10.874 -0.101 17.053 52 HA ILE 8 HA ILE 8 -8.981 0.254 15.012 53 HB ILE 8 HB ILE 8 -8.530 -0.796 17.841 54 HG12 ILE 8 HG12 ILE 8 -9.592 1.428 17.856 55 HG13 ILE 8 HG13 ILE 8 -7.932 1.556 18.418 56 HG21 ILE 8 HG21 ILE 8 -6.472 0.347 15.910 57 HG22 ILE 8 HG22 ILE 8 -6.570 -1.325 16.466 58 HG23 ILE 8 HG23 ILE 8 -6.175 -0.042 17.608 59 HD11 ILE 8 HD11 ILE 8 -8.527 3.416 16.996 60 HD12 ILE 8 HD12 ILE 8 -8.945 2.324 15.677 61 HD13 ILE 8 HD13 ILE 8 -7.271 2.447 16.228 62 H LYS 9 H LYS 9 -10.010 -2.671 16.732 63 HA LYS 9 HA LYS 9 -8.237 -4.552 15.647 64 HB2 LYS 9 HB2 LYS 9 -9.753 -4.859 17.636 65 HB3 LYS 9 HB3 LYS 9 -11.116 -4.994 16.535 66 HG2 LYS 9 HG2 LYS 9 -10.061 -7.016 15.532 67 HG3 LYS 9 HG3 LYS 9 -8.757 -6.906 16.711 68 HD2 LYS 9 HD2 LYS 9 -11.712 -7.362 17.306 69 HD3 LYS 9 HD3 LYS 9 -10.431 -8.572 17.416 70 HE2 LYS 9 HE2 LYS 9 -9.378 -7.293 19.241 71 HE3 LYS 9 HE3 LYS 9 -10.626 -6.057 19.114 72 HZ1 LYS 9 HZ1 LYS 9 -11.089 -8.888 19.857 73 HZ2 LYS 9 HZ2 LYS 9 -12.268 -7.683 19.772 74 HZ3 LYS 9 HZ3 LYS 9 -11.042 -7.583 20.928 75 H LYS 10 H LYS 10 -11.477 -3.540 14.537 76 HA LYS 10 HA LYS 10 -11.614 -5.359 12.329 77 HB2 LYS 10 HB2 LYS 10 -13.291 -2.950 13.096 78 HB3 LYS 10 HB3 LYS 10 -13.639 -3.928 11.672 79 HG2 LYS 10 HG2 LYS 10 -13.982 -5.910 13.085 80 HG3 LYS 10 HG3 LYS 10 -13.568 -4.975 14.527 81 HD2 LYS 10 HD2 LYS 10 -15.545 -3.554 14.217 82 HD3 LYS 10 HD3 LYS 10 -15.938 -4.375 12.703 83 HE2 LYS 10 HE2 LYS 10 -17.386 -5.215 14.463 84 HE3 LYS 10 HE3 LYS 10 -16.269 -6.496 13.992 85 HZ1 LYS 10 HZ1 LYS 10 -16.047 -4.768 16.398 86 HZ2 LYS 10 HZ2 LYS 10 -14.922 -5.951 15.951 87 HZ3 LYS 10 HZ3 LYS 10 -16.497 -6.395 16.369 88 H VAL 11 H VAL 11 -10.842 -1.839 12.504 89 HA VAL 11 HA VAL 11 -10.596 -1.447 9.707 90 HB VAL 11 HB VAL 11 -10.898 0.409 11.412 91 HG11 VAL 11 HG11 VAL 11 -8.922 1.432 12.471 92 HG12 VAL 11 HG12 VAL 11 -7.905 0.133 11.844 93 HG13 VAL 11 HG13 VAL 11 -9.161 -0.227 13.029 94 HG21 VAL 11 HG21 VAL 11 -10.397 0.937 9.063 95 HG22 VAL 11 HG22 VAL 11 -8.666 0.821 9.387 96 HG23 VAL 11 HG23 VAL 11 -9.618 2.104 10.136 97 H THR 12 H THR 12 -8.304 -2.634 12.096 98 HA THR 12 HA THR 12 -5.937 -2.741 10.543 99 HB THR 12 HB THR 12 -6.940 -4.565 12.772 100 HG1 THR 12 HG1 THR 12 -6.342 -2.938 13.945 101 HG21 THR 12 HG21 THR 12 -4.613 -5.311 13.077 102 HG22 THR 12 HG22 THR 12 -4.124 -4.402 11.647 103 HG23 THR 12 HG23 THR 12 -5.218 -5.777 11.486 104 H ASP 13 H ASP 13 -8.676 -5.027 10.823 105 HA ASP 13 HA ASP 13 -7.616 -6.841 8.863 106 HB2 ASP 13 HB2 ASP 13 -10.283 -6.703 10.275 107 HB3 ASP 13 HB3 ASP 13 -9.935 -7.915 9.038 108 H GLU 14 H GLU 14 -9.785 -4.065 8.651 109 HA GLU 14 HA GLU 14 -10.499 -4.363 5.905 110 HB2 GLU 14 HB2 GLU 14 -10.095 -1.788 7.487 111 HB3 GLU 14 HB3 GLU 14 -10.937 -1.918 5.951 112 HG2 GLU 14 HG2 GLU 14 -11.817 -3.191 8.546 113 HG3 GLU 14 HG3 GLU 14 -12.471 -1.705 7.882 114 H LEU 15 H LEU 15 -7.639 -3.148 7.550 115 HA LEU 15 HA LEU 15 -6.198 -2.200 5.289 116 HB2 LEU 15 HB2 LEU 15 -5.650 -1.440 7.509 117 HB3 LEU 15 HB3 LEU 15 -5.328 -3.066 8.068 118 HG LEU 15 HG LEU 15 -3.561 -2.026 5.849 119 HD11 LEU 15 HD11 LEU 15 -2.080 -0.836 7.415 120 HD12 LEU 15 HD12 LEU 15 -3.248 -1.078 8.718 121 HD13 LEU 15 HD13 LEU 15 -3.668 -0.072 7.330 122 HD21 LEU 15 HD21 LEU 15 -3.248 -4.318 6.745 123 HD22 LEU 15 HD22 LEU 15 -2.952 -3.647 8.352 124 HD23 LEU 15 HD23 LEU 15 -1.828 -3.307 7.033 125 H LYS 16 H LYS 16 -6.618 -5.443 6.672 126 HA LYS 16 HA LYS 16 -4.573 -6.783 5.202 127 HB2 LYS 16 HB2 LYS 16 -7.242 -7.970 6.061 128 HB3 LYS 16 HB3 LYS 16 -5.770 -8.855 5.663 129 HG2 LYS 16 HG2 LYS 16 -6.090 -6.966 7.996 130 HG3 LYS 16 HG3 LYS 16 -6.235 -8.722 8.084 131 HD2 LYS 16 HD2 LYS 16 -3.855 -8.934 7.383 132 HD3 LYS 16 HD3 LYS 16 -3.727 -7.167 7.332 133 HE2 LYS 16 HE2 LYS 16 -2.859 -8.189 9.455 134 HE3 LYS 16 HE3 LYS 16 -4.141 -6.998 9.704 135 HZ1 LYS 16 HZ1 LYS 16 -4.544 -9.944 9.662 136 HZ2 LYS 16 HZ2 LYS 16 -5.720 -8.778 9.996 137 HZ3 LYS 16 HZ3 LYS 16 -4.422 -9.002 11.058 138 H GLU 17 H GLU 17 -8.037 -6.250 4.496 139 HA GLU 17 HA GLU 17 -8.243 -7.325 1.921 140 HB2 GLU 17 HB2 GLU 17 -10.216 -6.614 3.127 141 HB3 GLU 17 HB3 GLU 17 -9.641 -4.961 3.230 142 HG2 GLU 17 HG2 GLU 17 -10.097 -6.047 0.474 143 HG3 GLU 17 HG3 GLU 17 -11.532 -5.786 1.460 144 H LEU 18 H LEU 18 -7.207 -4.140 2.939 145 HA LEU 18 HA LEU 18 -6.676 -2.869 0.528 146 HB2 LEU 18 HB2 LEU 18 -6.261 -2.441 3.315 147 HB3 LEU 18 HB3 LEU 18 -4.686 -2.234 2.598 148 HG LEU 18 HG LEU 18 -5.357 -0.328 1.360 149 HD11 LEU 18 HD11 LEU 18 -8.237 -1.064 1.949 150 HD12 LEU 18 HD12 LEU 18 -7.409 -1.154 0.390 151 HD13 LEU 18 HD13 LEU 18 -7.697 0.413 1.140 152 HD21 LEU 18 HD21 LEU 18 -6.210 1.178 3.058 153 HD22 LEU 18 HD22 LEU 18 -5.115 0.030 3.816 154 HD23 LEU 18 HD23 LEU 18 -6.861 -0.166 3.999 155 H ILE 19 H ILE 19 -4.348 -4.695 2.545 156 HA ILE 19 HA ILE 19 -2.121 -4.694 0.830 157 HB ILE 19 HB ILE 19 -2.987 -6.816 2.864 158 HG12 ILE 19 HG12 ILE 19 -1.036 -4.490 3.228 159 HG13 ILE 19 HG13 ILE 19 -2.686 -4.523 3.837 160 HG21 ILE 19 HG21 ILE 19 -1.310 -7.776 1.346 161 HG22 ILE 19 HG22 ILE 19 -0.623 -7.543 2.952 162 HG23 ILE 19 HG23 ILE 19 -0.226 -6.417 1.653 163 HD11 ILE 19 HD11 ILE 19 -0.447 -6.367 4.689 164 HD12 ILE 19 HD12 ILE 19 -2.106 -6.414 5.297 165 HD13 ILE 19 HD13 ILE 19 -1.093 -5.002 5.599 166 H GLN 20 H GLN 20 -4.821 -7.002 1.051 167 HA GLN 20 HA GLN 20 -3.931 -8.974 -0.745 168 HB2 GLN 20 HB2 GLN 20 -5.761 -9.400 0.812 169 HB3 GLN 20 HB3 GLN 20 -6.745 -8.140 0.081 170 HG2 GLN 20 HG2 GLN 20 -7.519 -10.390 -0.545 171 HG3 GLN 20 HG3 GLN 20 -7.002 -9.464 -1.953 172 HE21 GLN 20 HE21 GLN 20 -6.691 -11.341 -3.169 173 HE22 GLN 20 HE22 GLN 20 -5.368 -12.415 -2.898 174 H ASN 21 H ASN 21 -6.142 -6.219 -1.338 175 HA ASN 21 HA ASN 21 -6.517 -6.698 -4.089 176 HB2 ASN 21 HB2 ASN 21 -7.028 -4.275 -2.343 177 HB3 ASN 21 HB3 ASN 21 -7.226 -4.160 -4.089 178 HD21 ASN 21 HD21 ASN 21 -8.585 -5.401 -1.160 179 HD22 ASN 21 HD22 ASN 21 -10.026 -6.030 -1.860 180 H VAL 22 H VAL 22 -4.216 -4.510 -2.411 181 HA VAL 22 HA VAL 22 -3.109 -3.383 -4.762 182 HB VAL 22 HB VAL 22 -1.951 -3.617 -1.961 183 HG11 VAL 22 HG11 VAL 22 -0.275 -1.899 -2.640 184 HG12 VAL 22 HG12 VAL 22 -0.795 -2.084 -4.323 185 HG13 VAL 22 HG13 VAL 22 -0.046 -3.436 -3.471 186 HG21 VAL 22 HG21 VAL 22 -3.924 -2.163 -2.158 187 HG22 VAL 22 HG22 VAL 22 -3.150 -1.261 -3.462 188 HG23 VAL 22 HG23 VAL 22 -2.479 -1.202 -1.831 189 H ASN 23 H ASN 23 -1.890 -6.143 -2.763 190 HA ASN 23 HA ASN 23 0.359 -6.834 -4.289 191 HB2 ASN 23 HB2 ASN 23 -1.461 -8.456 -2.492 192 HB3 ASN 23 HB3 ASN 23 -0.162 -9.263 -3.358 193 HD21 ASN 23 HD21 ASN 23 -0.563 -8.864 -0.484 194 HD22 ASN 23 HD22 ASN 23 0.874 -8.095 0.080 195 H ASP 24 H ASP 24 -3.022 -7.849 -4.711 196 HA ASP 24 HA ASP 24 -2.533 -9.725 -6.816 197 HB2 ASP 24 HB2 ASP 24 -4.572 -9.547 -5.193 198 HB3 ASP 24 HB3 ASP 24 -5.183 -8.322 -6.294 199 H ASP 25 H ASP 25 -3.668 -6.350 -6.760 200 HA ASP 25 HA ASP 25 -3.910 -5.863 -9.514 201 HB2 ASP 25 HB2 ASP 25 -3.467 -4.048 -7.123 202 HB3 ASP 25 HB3 ASP 25 -3.471 -3.378 -8.747 203 H ILE 26 H ILE 26 -1.081 -5.648 -7.387 204 HA ILE 26 HA ILE 26 0.773 -4.514 -9.183 205 HB ILE 26 HB ILE 26 1.078 -6.282 -6.737 206 HG12 ILE 26 HG12 ILE 26 1.947 -3.400 -7.250 207 HG13 ILE 26 HG13 ILE 26 0.451 -3.864 -6.452 208 HG21 ILE 26 HG21 ILE 26 3.542 -5.964 -6.783 209 HG22 ILE 26 HG22 ILE 26 3.406 -5.263 -8.392 210 HG23 ILE 26 HG23 ILE 26 2.970 -6.950 -8.128 211 HD11 ILE 26 HD11 ILE 26 3.248 -4.369 -5.432 212 HD12 ILE 26 HD12 ILE 26 1.757 -4.874 -4.629 213 HD13 ILE 26 HD13 ILE 26 2.106 -3.161 -4.845 214 H LYS 27 H LYS 27 -0.179 -7.926 -8.659 215 HA LYS 27 HA LYS 27 1.620 -9.024 -10.598 216 HB2 LYS 27 HB2 LYS 27 -0.898 -10.201 -9.372 217 HB3 LYS 27 HB3 LYS 27 0.220 -11.098 -10.404 218 HG2 LYS 27 HG2 LYS 27 2.045 -10.448 -8.702 219 HG3 LYS 27 HG3 LYS 27 0.720 -9.972 -7.634 220 HD2 LYS 27 HD2 LYS 27 -0.141 -12.251 -7.605 221 HD3 LYS 27 HD3 LYS 27 1.011 -12.748 -8.851 222 HE2 LYS 27 HE2 LYS 27 1.729 -11.839 -6.038 223 HE3 LYS 27 HE3 LYS 27 1.736 -13.504 -6.625 224 HZ1 LYS 27 HZ1 LYS 27 3.457 -11.303 -7.641 225 HZ2 LYS 27 HZ2 LYS 27 3.460 -12.895 -8.207 226 HZ3 LYS 27 HZ3 LYS 27 3.951 -12.562 -6.625 227 H GLU 28 H GLU 28 -1.669 -7.777 -10.806 228 HA GLU 28 HA GLU 28 -2.145 -8.360 -13.554 229 HB2 GLU 28 HB2 GLU 28 -3.142 -6.039 -11.857 230 HB3 GLU 28 HB3 GLU 28 -3.795 -6.490 -13.428 231 HG2 GLU 28 HG2 GLU 28 -3.826 -8.310 -11.001 232 HG3 GLU 28 HG3 GLU 28 -5.141 -7.213 -11.417 233 H VAL 29 H VAL 29 -0.363 -5.728 -11.917 234 HA VAL 29 HA VAL 29 0.260 -4.299 -14.334 235 HB VAL 29 HB VAL 29 1.821 -4.122 -11.714 236 HG11 VAL 29 HG11 VAL 29 2.427 -1.887 -12.516 237 HG12 VAL 29 HG12 VAL 29 1.466 -2.121 -13.971 238 HG13 VAL 29 HG13 VAL 29 2.905 -3.105 -13.691 239 HG21 VAL 29 HG21 VAL 29 -0.632 -2.505 -12.516 240 HG22 VAL 29 HG22 VAL 29 0.420 -2.145 -11.140 241 HG23 VAL 29 HG23 VAL 29 -0.514 -3.639 -11.171 242 H GLU 30 H GLU 30 1.775 -7.024 -12.630 243 HA GLU 30 HA GLU 30 4.329 -6.876 -13.880 244 HB2 GLU 30 HB2 GLU 30 2.893 -9.255 -12.642 245 HB3 GLU 30 HB3 GLU 30 4.555 -9.322 -13.228 246 HG2 GLU 30 HG2 GLU 30 5.139 -7.488 -11.621 247 HG3 GLU 30 HG3 GLU 30 3.502 -7.574 -10.977 248 H LYS 31 H LYS 31 1.261 -8.231 -14.981 249 HA LYS 31 HA LYS 31 2.475 -9.201 -17.483 250 HB2 LYS 31 HB2 LYS 31 0.236 -10.060 -18.038 251 HB3 LYS 31 HB3 LYS 31 0.772 -10.620 -16.458 252 HG2 LYS 31 HG2 LYS 31 -0.665 -8.864 -15.392 253 HG3 LYS 31 HG3 LYS 31 -1.252 -8.420 -16.998 254 HD2 LYS 31 HD2 LYS 31 -2.868 -9.895 -15.910 255 HD3 LYS 31 HD3 LYS 31 -2.150 -10.722 -17.294 256 HE2 LYS 31 HE2 LYS 31 -0.590 -11.897 -15.698 257 HE3 LYS 31 HE3 LYS 31 -1.464 -11.150 -14.359 258 HZ1 LYS 31 HZ1 LYS 31 -3.480 -12.266 -15.161 259 HZ2 LYS 31 HZ2 LYS 31 -2.263 -13.356 -14.732 260 HZ3 LYS 31 HZ3 LYS 31 -2.575 -13.040 -16.364 261 H ASN 32 H ASN 32 1.010 -6.305 -16.321 262 HA ASN 32 HA ASN 32 1.137 -5.096 -19.000 263 HB2 ASN 32 HB2 ASN 32 -1.253 -5.900 -18.582 264 HB3 ASN 32 HB3 ASN 32 -1.343 -4.758 -17.251 265 HD21 ASN 32 HD21 ASN 32 -2.895 -4.937 -19.738 266 HD22 ASN 32 HD22 ASN 32 -2.765 -3.388 -20.481 267 HA PRO 33 HA PRO 33 3.190 -2.747 -15.486 268 HB2 PRO 33 HB2 PRO 33 5.265 -1.681 -16.989 269 HB3 PRO 33 HB3 PRO 33 5.303 -3.287 -16.243 270 HG2 PRO 33 HG2 PRO 33 4.575 -2.527 -19.074 271 HG3 PRO 33 HG3 PRO 33 5.648 -3.826 -18.508 272 HD2 PRO 33 HD2 PRO 33 3.129 -4.367 -19.265 273 HD3 PRO 33 HD3 PRO 33 3.844 -5.207 -17.870 274 H GLU 34 H GLU 34 2.234 -1.521 -18.640 275 HA GLU 34 HA GLU 34 2.502 1.266 -17.881 276 HB2 GLU 34 HB2 GLU 34 2.568 -0.199 -20.329 277 HB3 GLU 34 HB3 GLU 34 1.151 0.832 -20.456 278 HG2 GLU 34 HG2 GLU 34 2.676 2.773 -19.815 279 HG3 GLU 34 HG3 GLU 34 4.031 1.669 -20.027 280 H ASP 35 H ASP 35 0.102 -0.937 -17.169 281 HA ASP 35 HA ASP 35 -2.221 0.606 -17.839 282 HB2 ASP 35 HB2 ASP 35 -2.196 -1.915 -17.388 283 HB3 ASP 35 HB3 ASP 35 -2.131 -1.525 -15.671 284 H MET 36 H MET 36 -2.479 2.555 -17.024 285 HA MET 36 HA MET 36 -1.311 3.433 -14.538 286 HB2 MET 36 HB2 MET 36 -3.003 4.922 -16.567 287 HB3 MET 36 HB3 MET 36 -2.135 5.652 -15.243 288 HG2 MET 36 HG2 MET 36 -0.657 4.051 -17.330 289 HG3 MET 36 HG3 MET 36 -1.103 5.726 -17.626 290 HE1 MET 36 HE1 MET 36 2.034 4.392 -14.455 291 HE2 MET 36 HE2 MET 36 1.163 3.279 -15.511 292 HE3 MET 36 HE3 MET 36 0.327 4.053 -14.162 293 H GLU 37 H GLU 37 -4.458 2.422 -15.536 294 HA GLU 37 HA GLU 37 -5.986 3.570 -13.420 295 HB2 GLU 37 HB2 GLU 37 -7.031 2.728 -15.500 296 HB3 GLU 37 HB3 GLU 37 -6.588 1.081 -15.070 297 HG2 GLU 37 HG2 GLU 37 -8.982 1.592 -14.627 298 HG3 GLU 37 HG3 GLU 37 -8.107 1.090 -13.182 299 H TYR 38 H TYR 38 -4.337 0.405 -13.755 300 HA TYR 38 HA TYR 38 -5.134 -0.630 -11.231 301 HB2 TYR 38 HB2 TYR 38 -3.010 -1.365 -13.232 302 HB3 TYR 38 HB3 TYR 38 -2.817 -2.005 -11.602 303 HD1 TYR 38 HD1 TYR 38 -5.464 -2.676 -10.697 304 HD2 TYR 38 HD2 TYR 38 -3.851 -3.114 -14.634 305 HE1 TYR 38 HE1 TYR 38 -7.065 -4.474 -11.146 306 HE2 TYR 38 HE2 TYR 38 -5.467 -4.920 -15.082 307 HH TYR 38 HH TYR 38 -6.801 -6.584 -13.719 308 H TRP 39 H TRP 39 -2.309 1.320 -12.191 309 HA TRP 39 HA TRP 39 -1.209 1.485 -9.560 310 HB2 TRP 39 HB2 TRP 39 -0.794 3.134 -12.067 311 HB3 TRP 39 HB3 TRP 39 -0.003 3.560 -10.553 312 HD1 TRP 39 HD1 TRP 39 0.890 1.858 -13.571 313 HE1 TRP 39 HE1 TRP 39 2.754 0.136 -13.220 314 HE3 TRP 39 HE3 TRP 39 0.639 1.382 -8.468 315 HZ2 TRP 39 HZ2 TRP 39 3.947 -1.263 -11.068 316 HZ3 TRP 39 HZ3 TRP 39 2.175 -0.174 -7.346 317 HH2 TRP 39 HH2 TRP 39 3.801 -1.472 -8.624 318 H ASN 40 H ASN 40 -3.704 3.386 -11.210 319 HA ASN 40 HA ASN 40 -3.902 5.518 -9.371 320 HB2 ASN 40 HB2 ASN 40 -4.840 5.606 -11.612 321 HB3 ASN 40 HB3 ASN 40 -5.855 4.207 -11.296 322 HD21 ASN 40 HD21 ASN 40 -7.721 5.159 -11.748 323 HD22 ASN 40 HD22 ASN 40 -8.398 6.433 -10.829 324 H LYS 41 H LYS 41 -5.530 2.346 -9.580 325 HA LYS 41 HA LYS 41 -7.190 2.491 -7.309 326 HB2 LYS 41 HB2 LYS 41 -5.881 0.118 -8.702 327 HB3 LYS 41 HB3 LYS 41 -7.021 -0.077 -7.375 328 HG2 LYS 41 HG2 LYS 41 -7.640 1.268 -10.031 329 HG3 LYS 41 HG3 LYS 41 -8.064 -0.392 -9.598 330 HD2 LYS 41 HD2 LYS 41 -9.477 0.474 -7.732 331 HD3 LYS 41 HD3 LYS 41 -9.079 2.128 -8.211 332 HE2 LYS 41 HE2 LYS 41 -10.201 1.789 -10.375 333 HE3 LYS 41 HE3 LYS 41 -10.535 0.106 -9.957 334 HZ1 LYS 41 HZ1 LYS 41 -12.442 1.545 -9.602 335 HZ2 LYS 41 HZ2 LYS 41 -11.567 2.467 -8.488 336 HZ3 LYS 41 HZ3 LYS 41 -11.921 0.846 -8.155 337 H ILE 42 H ILE 42 -3.965 0.979 -7.656 338 HA ILE 42 HA ILE 42 -3.462 0.238 -5.024 339 HB ILE 42 HB ILE 42 -1.597 1.013 -7.299 340 HG12 ILE 42 HG12 ILE 42 -2.222 -1.709 -6.061 341 HG13 ILE 42 HG13 ILE 42 -3.011 -1.069 -7.498 342 HG21 ILE 42 HG21 ILE 42 -0.294 1.473 -5.276 343 HG22 ILE 42 HG22 ILE 42 0.313 0.014 -6.058 344 HG23 ILE 42 HG23 ILE 42 -0.702 -0.116 -4.621 345 HD11 ILE 42 HD11 ILE 42 -1.303 -2.699 -8.059 346 HD12 ILE 42 HD12 ILE 42 -0.076 -1.736 -7.237 347 HD13 ILE 42 HD13 ILE 42 -0.868 -1.108 -8.684 348 H TYR 43 H TYR 43 -2.721 3.355 -6.592 349 HA TYR 43 HA TYR 43 -1.339 4.643 -4.525 350 HB2 TYR 43 HB2 TYR 43 -1.420 5.489 -6.836 351 HB3 TYR 43 HB3 TYR 43 -3.139 5.830 -6.678 352 HD1 TYR 43 HD2 TYR 43 0.172 6.742 -5.155 353 HD2 TYR 43 HD1 TYR 43 -3.813 8.011 -6.023 354 HE1 TYR 43 HE2 TYR 43 0.705 8.993 -4.348 355 HE2 TYR 43 HE1 TYR 43 -3.268 10.268 -5.226 356 HH TYR 43 HH TYR 43 -1.583 11.308 -3.643 357 H ARG 44 H ARG 44 -4.841 4.646 -5.232 358 HA ARG 44 HA ARG 44 -5.676 6.362 -3.128 359 HB2 ARG 44 HB2 ARG 44 -7.219 4.206 -4.625 360 HB3 ARG 44 HB3 ARG 44 -7.960 5.392 -3.552 361 HG2 ARG 44 HG2 ARG 44 -7.306 7.216 -5.034 362 HG3 ARG 44 HG3 ARG 44 -6.410 6.103 -6.070 363 HD2 ARG 44 HD2 ARG 44 -8.543 4.930 -6.607 364 HD3 ARG 44 HD3 ARG 44 -9.419 6.111 -5.626 365 HE ARG 44 HE ARG 44 -7.963 7.563 -7.496 366 HH11 ARG 44 HH11 ARG 44 -10.505 5.213 -7.627 367 HH12 ARG 44 HH12 ARG 44 -11.136 5.835 -9.112 368 HH21 ARG 44 HH21 ARG 44 -8.801 8.332 -9.386 369 HH22 ARG 44 HH22 ARG 44 -10.190 7.574 -10.087 370 H LEU 45 H LEU 45 -5.363 2.828 -3.322 371 HA LEU 45 HA LEU 45 -6.468 2.206 -0.768 372 HB2 LEU 45 HB2 LEU 45 -4.551 0.599 -2.500 373 HB3 LEU 45 HB3 LEU 45 -5.434 -0.041 -1.122 374 HG LEU 45 HG LEU 45 -6.686 0.981 -3.707 375 HD11 LEU 45 HD11 LEU 45 -7.286 -1.356 -4.146 376 HD12 LEU 45 HD12 LEU 45 -6.420 -1.864 -2.693 377 HD13 LEU 45 HD13 LEU 45 -5.538 -1.145 -4.042 378 HD21 LEU 45 HD21 LEU 45 -8.823 0.142 -2.833 379 HD22 LEU 45 HD22 LEU 45 -8.167 1.413 -1.807 380 HD23 LEU 45 HD23 LEU 45 -8.048 -0.272 -1.300 381 H VAL 46 H VAL 46 -3.148 2.861 -1.856 382 HA VAL 46 HA VAL 46 -1.820 2.322 0.612 383 HB VAL 46 HB VAL 46 -0.985 3.953 -1.825 384 HG11 VAL 46 HG11 VAL 46 0.206 4.908 0.100 385 HG12 VAL 46 HG12 VAL 46 1.330 3.974 -0.887 386 HG13 VAL 46 HG13 VAL 46 0.706 3.297 0.621 387 HG21 VAL 46 HG21 VAL 46 0.532 2.037 -2.253 388 HG22 VAL 46 HG22 VAL 46 -1.149 1.509 -2.178 389 HG23 VAL 46 HG23 VAL 46 -0.077 1.226 -0.806 390 H HIS 47 H HIS 47 -3.244 5.292 -0.770 391 HA HIS 47 HA HIS 47 -2.548 7.117 1.261 392 HB2 HIS 47 HB2 HIS 47 -3.565 7.908 -0.821 393 HB3 HIS 47 HB3 HIS 47 -5.061 7.054 -0.468 394 HD1 HIS 47 HD1 HIS 47 -6.813 8.365 0.793 395 HD2 HIS 47 HD2 HIS 47 -3.060 10.119 1.090 396 HE1 HIS 47 HE1 HIS 47 -7.182 10.505 2.028 397 HE2 HIS 47 HE2 HIS 47 -4.909 11.555 2.184 398 H THR 48 H THR 48 -5.239 4.799 1.052 399 HA THR 48 HA THR 48 -6.535 5.473 3.487 400 HB THR 48 HB THR 48 -6.510 2.756 2.099 401 HG1 THR 48 HG1 THR 48 -8.527 3.584 1.197 402 HG21 THR 48 HG21 THR 48 -8.529 3.954 4.037 403 HG22 THR 48 HG22 THR 48 -7.424 2.616 4.379 404 HG23 THR 48 HG23 THR 48 -8.710 2.419 3.186 405 H MET 49 H MET 49 -3.992 3.009 2.746 406 HA MET 49 HA MET 49 -3.696 1.801 5.277 407 HB2 MET 49 HB2 MET 49 -1.484 2.376 3.251 408 HB3 MET 49 HB3 MET 49 -1.385 1.200 4.558 409 HG2 MET 49 HG2 MET 49 -3.142 -0.116 3.523 410 HG3 MET 49 HG3 MET 49 -3.330 1.093 2.262 411 HE1 MET 49 HE1 MET 49 -1.804 -1.771 0.206 412 HE2 MET 49 HE2 MET 49 -3.145 -0.634 0.403 413 HE3 MET 49 HE3 MET 49 -2.930 -1.960 1.550 414 H LYS 50 H LYS 50 -1.978 4.570 3.903 415 HA LYS 50 HA LYS 50 -0.388 5.372 6.038 416 HB2 LYS 50 HB2 LYS 50 -0.198 6.251 3.744 417 HB3 LYS 50 HB3 LYS 50 -1.753 7.052 3.898 418 HG2 LYS 50 HG2 LYS 50 -0.842 8.545 5.628 419 HG3 LYS 50 HG3 LYS 50 0.720 7.722 5.534 420 HD2 LYS 50 HD2 LYS 50 1.021 8.480 3.221 421 HD3 LYS 50 HD3 LYS 50 -0.596 9.191 3.213 422 HE2 LYS 50 HE2 LYS 50 1.657 10.092 5.044 423 HE3 LYS 50 HE3 LYS 50 1.237 10.865 3.515 424 HZ1 LYS 50 HZ1 LYS 50 0.233 12.040 5.326 425 HZ2 LYS 50 HZ2 LYS 50 -0.502 10.638 5.903 426 HZ3 LYS 50 HZ3 LYS 50 -0.987 11.289 4.424 427 H GLU 51 H GLU 51 -3.679 6.436 5.196 428 HA GLU 51 HA GLU 51 -4.089 8.241 7.312 429 HB2 GLU 51 HB2 GLU 51 -5.344 8.103 5.132 430 HB3 GLU 51 HB3 GLU 51 -6.171 6.671 5.736 431 HG2 GLU 51 HG2 GLU 51 -7.210 7.986 7.502 432 HG3 GLU 51 HG3 GLU 51 -6.332 9.426 6.997 433 H ILE 52 H ILE 52 -4.605 4.732 7.123 434 HA ILE 52 HA ILE 52 -6.084 4.407 9.552 435 HB ILE 52 HB ILE 52 -4.443 2.397 7.944 436 HG12 ILE 52 HG12 ILE 52 -7.467 2.754 8.194 437 HG13 ILE 52 HG13 ILE 52 -6.502 3.289 6.829 438 HG21 ILE 52 HG21 ILE 52 -6.268 1.801 10.313 439 HG22 ILE 52 HG22 ILE 52 -4.516 1.600 10.276 440 HG23 ILE 52 HG23 ILE 52 -5.537 0.587 9.257 441 HD11 ILE 52 HD11 ILE 52 -7.672 1.242 6.317 442 HD12 ILE 52 HD12 ILE 52 -6.926 0.429 7.691 443 HD13 ILE 52 HD13 ILE 52 -5.933 0.955 6.327 444 H THR 53 H THR 53 -2.578 3.969 8.807 445 HA THR 53 HA THR 53 -1.859 3.388 11.512 446 HB THR 53 HB THR 53 -0.348 2.568 9.844 447 HG1 THR 53 HG1 THR 53 1.015 4.684 11.101 448 HG21 THR 53 HG21 THR 53 1.044 4.009 8.417 449 HG22 THR 53 HG22 THR 53 0.189 5.430 9.018 450 HG23 THR 53 HG23 THR 53 -0.673 4.231 8.055 451 H GLU 54 H GLU 54 -2.196 6.445 9.769 452 HA GLU 54 HA GLU 54 -0.827 8.090 11.668 453 HB2 GLU 54 HB2 GLU 54 -2.908 8.786 9.572 454 HB3 GLU 54 HB3 GLU 54 -2.127 9.997 10.584 455 HG2 GLU 54 HG2 GLU 54 0.067 9.292 9.683 456 HG3 GLU 54 HG3 GLU 54 -0.741 8.139 8.632 457 H THR 55 H THR 55 -4.301 7.189 11.328 458 HA THR 55 HA THR 55 -5.131 8.708 13.624 459 HB THR 55 HB THR 55 -6.758 8.015 11.852 460 HG1 THR 55 HG1 THR 55 -8.424 7.680 13.330 461 HG21 THR 55 HG21 THR 55 -6.073 5.671 11.497 462 HG22 THR 55 HG22 THR 55 -7.782 5.771 11.921 463 HG23 THR 55 HG23 THR 55 -6.600 5.260 13.130 464 H MET 56 H MET 56 -3.676 5.556 13.250 465 HA MET 56 HA MET 56 -4.063 4.713 16.005 466 HB2 MET 56 HB2 MET 56 -2.213 3.701 13.801 467 HB3 MET 56 HB3 MET 56 -2.311 2.970 15.398 468 HG2 MET 56 HG2 MET 56 -4.704 2.459 15.001 469 HG3 MET 56 HG3 MET 56 -4.560 3.142 13.377 470 HE1 MET 56 HE1 MET 56 -5.588 0.146 14.103 471 HE2 MET 56 HE2 MET 56 -4.805 -0.777 12.822 472 HE3 MET 56 HE3 MET 56 -5.552 0.778 12.456 473 H GLY 57 H GLY 57 -1.880 6.856 14.389 474 HA2 GLY 57 HA2 GLY 57 -0.612 8.492 15.531 475 HA3 GLY 57 HA3 GLY 57 -0.531 7.453 16.939 476 H PHE 58 H PHE 58 0.229 5.764 14.090 477 HA PHE 58 HA PHE 58 3.089 5.701 14.746 478 HB2 PHE 58 HB2 PHE 58 1.330 3.975 12.969 479 HB3 PHE 58 HB3 PHE 58 3.044 3.689 13.177 480 HD1 PHE 58 HD2 PHE 58 3.759 3.582 15.821 481 HD2 PHE 58 HD1 PHE 58 -0.129 2.691 14.271 482 HE1 PHE 58 HE2 PHE 58 3.249 2.260 17.831 483 HE2 PHE 58 HE1 PHE 58 -0.632 1.375 16.288 484 HZ PHE 58 HZ PHE 58 1.059 1.158 18.070 485 H SER 59 H SER 59 3.938 7.580 13.856 486 HA SER 59 HA SER 59 3.394 8.491 11.173 487 HB2 SER 59 HB2 SER 59 5.629 9.318 13.077 488 HB3 SER 59 HB3 SER 59 5.148 10.180 11.611 489 HG SER 59 HG SER 59 3.098 10.520 12.584 490 H SER 60 H SER 60 5.766 6.387 12.636 491 HA SER 60 HA SER 60 7.780 6.368 10.647 492 HB2 SER 60 HB2 SER 60 8.183 5.481 12.903 493 HB3 SER 60 HB3 SER 60 7.001 4.198 12.645 494 HG SER 60 HG SER 60 8.420 3.116 11.522 495 H VAL 61 H VAL 61 4.929 4.245 11.083 496 HA VAL 61 HA VAL 61 5.413 2.575 8.818 497 HB VAL 61 HB VAL 61 2.718 3.153 10.117 498 HG11 VAL 61 HG11 VAL 61 3.639 0.752 8.481 499 HG12 VAL 61 HG12 VAL 61 2.500 1.996 7.959 500 HG13 VAL 61 HG13 VAL 61 2.069 0.906 9.276 501 HG21 VAL 61 HG21 VAL 61 4.318 2.431 11.851 502 HG22 VAL 61 HG22 VAL 61 4.726 0.999 10.901 503 HG23 VAL 61 HG23 VAL 61 3.099 1.187 11.563 504 H ALA 62 H ALA 62 3.305 5.430 9.321 505 HA ALA 62 HA ALA 62 2.263 5.755 6.740 506 HB1 ALA 62 HB1 ALA 62 1.428 7.038 8.651 507 HB2 ALA 62 HB2 ALA 62 1.897 8.122 7.331 508 HB3 ALA 62 HB3 ALA 62 2.951 7.930 8.739 509 H LYS 63 H LYS 63 5.417 6.692 8.019 510 HA LYS 63 HA LYS 63 6.332 8.364 5.934 511 HB2 LYS 63 HB2 LYS 63 7.346 8.107 8.230 512 HB3 LYS 63 HB3 LYS 63 7.984 6.543 7.735 513 HG2 LYS 63 HG2 LYS 63 9.370 7.657 6.010 514 HG3 LYS 63 HG3 LYS 63 8.718 9.225 6.505 515 HD2 LYS 63 HD2 LYS 63 9.671 8.804 8.816 516 HD3 LYS 63 HD3 LYS 63 10.435 7.346 8.182 517 HE2 LYS 63 HE2 LYS 63 10.976 10.180 7.224 518 HE3 LYS 63 HE3 LYS 63 12.014 9.242 8.296 519 HZ1 LYS 63 HZ1 LYS 63 12.232 7.601 6.482 520 HZ2 LYS 63 HZ2 LYS 63 12.872 9.116 6.100 521 HZ3 LYS 63 HZ3 LYS 63 11.383 8.649 5.467 522 H VAL 64 H VAL 64 6.503 4.826 6.363 523 HA VAL 64 HA VAL 64 7.998 4.213 4.011 524 HB VAL 64 HB VAL 64 6.013 2.427 5.494 525 HG11 VAL 64 HG11 VAL 64 8.270 1.641 3.599 526 HG12 VAL 64 HG12 VAL 64 6.545 1.534 3.246 527 HG13 VAL 64 HG13 VAL 64 7.250 0.520 4.506 528 HG21 VAL 64 HG21 VAL 64 7.973 1.519 6.709 529 HG22 VAL 64 HG22 VAL 64 7.764 3.242 7.025 530 HG23 VAL 64 HG23 VAL 64 9.020 2.697 5.909 531 H LEU 65 H LEU 65 4.479 4.219 4.665 532 HA LEU 65 HA LEU 65 3.671 3.510 2.018 533 HB2 LEU 65 HB2 LEU 65 2.182 4.702 4.374 534 HB3 LEU 65 HB3 LEU 65 1.385 4.493 2.828 535 HG LEU 65 HG LEU 65 0.833 2.647 4.348 536 HD11 LEU 65 HD11 LEU 65 0.876 2.147 1.959 537 HD12 LEU 65 HD12 LEU 65 1.367 0.742 2.899 538 HD13 LEU 65 HD13 LEU 65 2.584 1.704 2.054 539 HD21 LEU 65 HD21 LEU 65 2.537 1.009 5.073 540 HD22 LEU 65 HD22 LEU 65 2.815 2.614 5.745 541 HD23 LEU 65 HD23 LEU 65 3.803 2.048 4.397 542 H HIS 66 H HIS 66 4.481 6.555 3.508 543 HA HIS 66 HA HIS 66 3.339 8.352 1.626 544 HB2 HIS 66 HB2 HIS 66 4.119 8.982 3.920 545 HB3 HIS 66 HB3 HIS 66 5.782 8.779 3.403 546 HD1 HIS 66 HD1 HIS 66 6.785 10.683 1.918 547 HD2 HIS 66 HD2 HIS 66 2.836 11.306 3.020 548 HE1 HIS 66 HE1 HIS 66 6.324 13.088 1.396 549 HE2 HIS 66 HE2 HIS 66 3.988 13.482 2.223 550 H THR 67 H THR 67 6.328 6.450 1.628 551 HA THR 67 HA THR 67 7.560 7.819 -0.621 552 HB THR 67 HB THR 67 9.188 6.053 -0.752 553 HG1 THR 67 HG1 THR 67 8.000 4.363 1.121 554 HG21 THR 67 HG21 THR 67 8.435 6.335 2.170 555 HG22 THR 67 HG22 THR 67 9.465 7.444 1.259 556 HG23 THR 67 HG23 THR 67 9.993 5.785 1.552 557 H ILE 68 H ILE 68 5.436 5.038 -0.204 558 HA ILE 68 HA ILE 68 5.485 4.072 -2.885 559 HB ILE 68 HB ILE 68 3.193 3.688 -0.912 560 HG12 ILE 68 HG12 ILE 68 5.158 3.103 0.365 561 HG13 ILE 68 HG13 ILE 68 4.419 1.594 -0.145 562 HG21 ILE 68 HG21 ILE 68 2.877 1.518 -2.054 563 HG22 ILE 68 HG22 ILE 68 4.195 1.902 -3.162 564 HG23 ILE 68 HG23 ILE 68 2.719 2.871 -3.174 565 HD11 ILE 68 HD11 ILE 68 6.113 1.343 -1.881 566 HD12 ILE 68 HD12 ILE 68 6.837 1.532 -0.281 567 HD13 ILE 68 HD13 ILE 68 6.839 2.886 -1.408 568 H MET 69 H MET 69 3.434 6.370 -1.151 569 HA MET 69 HA MET 69 1.560 7.067 -3.110 570 HB2 MET 69 HB2 MET 69 2.947 8.863 -1.064 571 HB3 MET 69 HB3 MET 69 1.509 9.313 -1.975 572 HG2 MET 69 HG2 MET 69 1.553 6.901 -0.179 573 HG3 MET 69 HG3 MET 69 1.190 8.514 0.427 574 HE1 MET 69 HE1 MET 69 -0.525 9.849 -1.889 575 HE2 MET 69 HE2 MET 69 -0.916 9.881 -0.167 576 HE3 MET 69 HE3 MET 69 -2.139 9.393 -1.341 577 H ASN 70 H ASN 70 4.758 8.526 -2.469 578 HA ASN 70 HA ASN 70 4.818 10.369 -4.607 579 HB2 ASN 70 HB2 ASN 70 6.260 10.427 -2.553 580 HB3 ASN 70 HB3 ASN 70 7.158 9.039 -3.170 581 HD21 ASN 70 HD21 ASN 70 6.440 12.440 -3.694 582 HD22 ASN 70 HD22 ASN 70 7.830 12.773 -4.659 583 H LEU 71 H LEU 71 5.766 7.003 -4.415 584 HA LEU 71 HA LEU 71 7.383 6.837 -6.763 585 HB2 LEU 71 HB2 LEU 71 7.329 5.365 -4.615 586 HB3 LEU 71 HB3 LEU 71 5.984 4.527 -5.358 587 HG LEU 71 HG LEU 71 8.778 4.692 -6.557 588 HD11 LEU 71 HD11 LEU 71 8.841 3.481 -4.420 589 HD12 LEU 71 HD12 LEU 71 9.110 2.381 -5.769 590 HD13 LEU 71 HD13 LEU 71 7.539 2.416 -4.962 591 HD21 LEU 71 HD21 LEU 71 8.042 2.777 -7.973 592 HD22 LEU 71 HD22 LEU 71 7.095 4.231 -8.274 593 HD23 LEU 71 HD23 LEU 71 6.410 2.925 -7.305 594 H VAL 72 H VAL 72 4.160 5.527 -6.026 595 HA VAL 72 HA VAL 72 3.532 4.660 -8.639 596 HB VAL 72 HB VAL 72 1.706 5.155 -6.248 597 HG11 VAL 72 HG11 VAL 72 1.202 3.560 -8.786 598 HG12 VAL 72 HG12 VAL 72 0.396 5.059 -8.318 599 HG13 VAL 72 HG13 VAL 72 0.137 3.591 -7.376 600 HG21 VAL 72 HG21 VAL 72 1.925 2.713 -5.848 601 HG22 VAL 72 HG22 VAL 72 3.496 3.512 -5.760 602 HG23 VAL 72 HG23 VAL 72 3.056 2.586 -7.198 603 H ASP 73 H ASP 73 2.739 7.664 -6.893 604 HA ASP 73 HA ASP 73 0.984 8.878 -8.725 605 HB2 ASP 73 HB2 ASP 73 1.444 9.743 -6.439 606 HB3 ASP 73 HB3 ASP 73 3.069 10.200 -6.934 607 H LYS 74 H LYS 74 4.521 8.719 -8.658 608 HA LYS 74 HA LYS 74 5.000 10.435 -10.900 609 HB2 LYS 74 HB2 LYS 74 6.638 8.917 -9.001 610 HB3 LYS 74 HB3 LYS 74 7.268 8.718 -10.625 611 HG2 LYS 74 HG2 LYS 74 8.341 10.583 -9.404 612 HG3 LYS 74 HG3 LYS 74 7.547 11.113 -10.890 613 HD2 LYS 74 HD2 LYS 74 5.626 11.961 -9.573 614 HD3 LYS 74 HD3 LYS 74 6.387 11.398 -8.081 615 HE2 LYS 74 HE2 LYS 74 6.702 13.829 -8.412 616 HE3 LYS 74 HE3 LYS 74 8.245 12.977 -8.413 617 HZ1 LYS 74 HZ1 LYS 74 8.148 14.626 -10.165 618 HZ2 LYS 74 HZ2 LYS 74 6.779 13.897 -10.830 619 HZ3 LYS 74 HZ3 LYS 74 8.256 13.078 -10.833 620 H MET 75 H MET 75 4.421 6.962 -10.596 621 HA MET 75 HA MET 75 5.177 6.118 -13.176 622 HB2 MET 75 HB2 MET 75 3.027 5.087 -11.291 623 HB3 MET 75 HB3 MET 75 3.451 4.268 -12.790 624 HG2 MET 75 HG2 MET 75 5.712 3.884 -11.997 625 HG3 MET 75 HG3 MET 75 5.384 4.810 -10.523 626 HE1 MET 75 HE1 MET 75 5.562 0.739 -9.875 627 HE2 MET 75 HE2 MET 75 6.546 2.199 -9.748 628 HE3 MET 75 HE3 MET 75 6.199 1.502 -11.335 629 H LEU 76 H LEU 76 2.126 7.532 -12.033 630 HA LEU 76 HA LEU 76 0.499 7.219 -14.284 631 HB2 LEU 76 HB2 LEU 76 0.514 9.057 -11.927 632 HB3 LEU 76 HB3 LEU 76 -0.482 9.561 -13.279 633 HG LEU 76 HG LEU 76 -1.717 7.377 -13.151 634 HD11 LEU 76 HD11 LEU 76 -1.485 5.910 -11.189 635 HD12 LEU 76 HD12 LEU 76 -0.100 6.858 -10.637 636 HD13 LEU 76 HD13 LEU 76 -0.005 5.951 -12.147 637 HD21 LEU 76 HD21 LEU 76 -2.624 9.363 -12.033 638 HD22 LEU 76 HD22 LEU 76 -1.728 8.965 -10.563 639 HD23 LEU 76 HD23 LEU 76 -3.016 7.900 -11.131 640 H ASN 77 H ASN 77 2.926 9.750 -13.705 641 HA ASN 77 HA ASN 77 2.109 11.241 -16.093 642 HB2 ASN 77 HB2 ASN 77 4.284 12.655 -15.349 643 HB3 ASN 77 HB3 ASN 77 2.704 12.866 -14.603 644 HD21 ASN 77 HD21 ASN 77 5.864 11.427 -14.193 645 HD22 ASN 77 HD22 ASN 77 5.794 11.319 -12.482 646 H SER 78 H SER 78 3.287 11.572 -17.908 647 HA SER 78 HA SER 78 4.672 9.299 -18.936 648 HB2 SER 78 HB2 SER 78 4.091 12.011 -20.188 649 HB3 SER 78 HB3 SER 78 4.690 10.615 -21.074 650 HG SER 78 HG SER 78 2.653 9.620 -19.966 651 H GLU 79 H GLU 79 5.913 11.945 -17.212 652 HA GLU 79 HA GLU 79 8.477 12.232 -18.503 653 HB2 GLU 79 HB2 GLU 79 9.115 13.533 -16.536 654 HB3 GLU 79 HB3 GLU 79 7.463 13.959 -16.977 655 HG2 GLU 79 HG2 GLU 79 6.569 12.581 -15.190 656 HG3 GLU 79 HG3 GLU 79 8.185 12.020 -14.780 657 H ILE 80 H ILE 80 7.062 9.835 -16.561 658 HA ILE 80 HA ILE 80 9.621 8.510 -15.840 659 HB ILE 80 HB ILE 80 6.900 8.350 -14.448 660 HG12 ILE 80 HG12 ILE 80 8.165 10.542 -14.161 661 HG13 ILE 80 HG13 ILE 80 7.748 9.723 -12.679 662 HG21 ILE 80 HG21 ILE 80 8.052 7.077 -12.657 663 HG22 ILE 80 HG22 ILE 80 9.527 7.056 -13.625 664 HG23 ILE 80 HG23 ILE 80 8.081 6.227 -14.203 665 HD11 ILE 80 HD11 ILE 80 10.070 8.927 -12.484 666 HD12 ILE 80 HD12 ILE 80 9.977 10.682 -12.589 667 HD13 ILE 80 HD13 ILE 80 10.468 9.746 -13.999 668 H LYS 81 H LYS 81 9.834 6.373 -16.482 669 HA LYS 81 HA LYS 81 7.578 5.040 -17.861 670 HB2 LYS 81 HB2 LYS 81 9.605 5.348 -19.236 671 HB3 LYS 81 HB3 LYS 81 10.573 4.490 -18.042 672 HG2 LYS 81 HG2 LYS 81 9.397 2.411 -18.496 673 HG3 LYS 81 HG3 LYS 81 8.258 3.236 -19.563 674 HD2 LYS 81 HD2 LYS 81 11.256 2.994 -20.069 675 HD3 LYS 81 HD3 LYS 81 10.025 1.960 -20.799 676 HE2 LYS 81 HE2 LYS 81 9.030 3.929 -21.924 677 HE3 LYS 81 HE3 LYS 81 10.236 4.978 -21.174 678 HZ1 LYS 81 HZ1 LYS 81 11.960 3.776 -22.372 679 HZ2 LYS 81 HZ2 LYS 81 10.824 4.432 -23.439 680 HZ3 LYS 81 HZ3 LYS 81 10.796 2.779 -23.088 681 H ILE 82 H ILE 82 6.827 3.088 -17.115 682 HA ILE 82 HA ILE 82 7.381 2.482 -14.342 683 HB ILE 82 HB ILE 82 5.367 1.128 -16.211 684 HG12 ILE 82 HG12 ILE 82 3.699 2.531 -14.707 685 HG13 ILE 82 HG13 ILE 82 5.097 3.541 -14.375 686 HG21 ILE 82 HG21 ILE 82 4.304 0.306 -14.123 687 HG22 ILE 82 HG22 ILE 82 5.618 1.009 -13.178 688 HG23 ILE 82 HG23 ILE 82 5.949 -0.306 -14.310 689 HD11 ILE 82 HD11 ILE 82 5.307 4.034 -16.759 690 HD12 ILE 82 HD12 ILE 82 3.717 4.463 -16.133 691 HD13 ILE 82 HD13 ILE 82 3.915 2.999 -17.094 692 H THR 83 H THR 83 9.293 1.525 -14.153 693 HA THR 83 HA THR 83 10.265 -0.527 -15.874 694 HB THR 83 HB THR 83 11.282 0.416 -13.158 695 HG1 THR 83 HG1 THR 83 11.989 1.129 -15.827 696 HG21 THR 83 HG21 THR 83 12.728 -1.242 -15.259 697 HG22 THR 83 HG22 THR 83 12.186 -1.826 -13.684 698 HG23 THR 83 HG23 THR 83 13.445 -0.594 -13.782 699 H SER 84 H SER 84 10.274 -2.762 -15.578 700 HA SER 84 HA SER 84 8.158 -3.953 -14.163 701 HB2 SER 84 HB2 SER 84 9.150 -4.965 -16.179 702 HB3 SER 84 HB3 SER 84 10.635 -5.303 -15.292 703 HG SER 84 HG SER 84 8.090 -6.318 -14.532 704 H ASP 85 H ASP 85 11.645 -3.886 -13.314 705 HA ASP 85 HA ASP 85 11.249 -5.312 -10.843 706 HB2 ASP 85 HB2 ASP 85 13.636 -4.781 -10.369 707 HB3 ASP 85 HB3 ASP 85 13.367 -5.615 -11.893 708 H LEU 86 H LEU 86 10.963 -1.974 -11.696 709 HA LEU 86 HA LEU 86 11.206 -0.840 -9.073 710 HB2 LEU 86 HB2 LEU 86 11.270 0.500 -11.187 711 HB3 LEU 86 HB3 LEU 86 9.560 0.168 -11.420 712 HG LEU 86 HG LEU 86 9.173 1.302 -9.140 713 HD11 LEU 86 HD11 LEU 86 10.861 2.917 -8.379 714 HD12 LEU 86 HD12 LEU 86 12.000 2.308 -9.582 715 HD13 LEU 86 HD13 LEU 86 11.446 1.256 -8.276 716 HD21 LEU 86 HD21 LEU 86 8.538 2.374 -11.240 717 HD22 LEU 86 HD22 LEU 86 10.177 2.996 -11.460 718 HD23 LEU 86 HD23 LEU 86 9.184 3.573 -10.119 719 H ILE 87 H ILE 87 8.545 -2.295 -10.883 720 HA ILE 87 HA ILE 87 6.367 -1.863 -9.154 721 HB ILE 87 HB ILE 87 6.938 -4.353 -10.825 722 HG12 ILE 87 HG12 ILE 87 5.409 -1.857 -11.696 723 HG13 ILE 87 HG13 ILE 87 7.075 -2.198 -12.146 724 HG21 ILE 87 HG21 ILE 87 4.261 -3.271 -9.877 725 HG22 ILE 87 HG22 ILE 87 5.066 -4.720 -9.272 726 HG23 ILE 87 HG23 ILE 87 4.490 -4.666 -10.937 727 HD11 ILE 87 HD11 ILE 87 5.552 -2.734 -13.946 728 HD12 ILE 87 HD12 ILE 87 4.660 -3.845 -12.909 729 HD13 ILE 87 HD13 ILE 87 6.332 -4.201 -13.356 730 H ASP 88 H ASP 88 9.012 -4.228 -9.063 731 HA ASP 88 HA ASP 88 8.103 -5.813 -6.877 732 HB2 ASP 88 HB2 ASP 88 10.908 -5.382 -7.975 733 HB3 ASP 88 HB3 ASP 88 10.514 -6.568 -6.732 734 H LYS 89 H LYS 89 9.849 -2.739 -6.997 735 HA LYS 89 HA LYS 89 10.751 -2.657 -4.294 736 HB2 LYS 89 HB2 LYS 89 11.515 -1.083 -6.112 737 HB3 LYS 89 HB3 LYS 89 9.937 -0.310 -6.071 738 HG2 LYS 89 HG2 LYS 89 10.329 0.397 -3.734 739 HG3 LYS 89 HG3 LYS 89 11.906 -0.394 -3.754 740 HD2 LYS 89 HD2 LYS 89 11.066 1.966 -5.495 741 HD3 LYS 89 HD3 LYS 89 12.116 2.051 -4.079 742 HE2 LYS 89 HE2 LYS 89 12.734 0.617 -6.690 743 HE3 LYS 89 HE3 LYS 89 13.440 2.133 -6.135 744 HZ1 LYS 89 HZ1 LYS 89 14.356 0.884 -4.225 745 HZ2 LYS 89 HZ2 LYS 89 14.968 0.389 -5.717 746 HZ3 LYS 89 HZ3 LYS 89 13.803 -0.549 -4.930 747 H VAL 90 H VAL 90 7.760 -1.586 -5.866 748 HA VAL 90 HA VAL 90 6.372 -0.481 -3.659 749 HB VAL 90 HB VAL 90 5.117 -1.931 -6.047 750 HG11 VAL 90 HG11 VAL 90 3.490 -1.354 -4.309 751 HG12 VAL 90 HG12 VAL 90 3.221 -0.367 -5.745 752 HG13 VAL 90 HG13 VAL 90 4.021 0.329 -4.333 753 HG21 VAL 90 HG21 VAL 90 6.763 -0.350 -6.930 754 HG22 VAL 90 HG22 VAL 90 6.077 0.958 -5.960 755 HG23 VAL 90 HG23 VAL 90 5.131 0.234 -7.263 756 H LYS 91 H LYS 91 6.399 -3.763 -5.016 757 HA LYS 91 HA LYS 91 4.427 -4.934 -3.351 758 HB2 LYS 91 HB2 LYS 91 5.546 -5.708 -5.664 759 HB3 LYS 91 HB3 LYS 91 6.621 -6.604 -4.608 760 HG2 LYS 91 HG2 LYS 91 3.593 -6.889 -4.684 761 HG3 LYS 91 HG3 LYS 91 4.731 -7.956 -5.503 762 HD2 LYS 91 HD2 LYS 91 5.669 -8.598 -3.271 763 HD3 LYS 91 HD3 LYS 91 4.447 -7.588 -2.495 764 HE2 LYS 91 HE2 LYS 91 2.667 -9.004 -3.494 765 HE3 LYS 91 HE3 LYS 91 3.907 -10.024 -4.231 766 HZ1 LYS 91 HZ1 LYS 91 3.603 -9.570 -1.315 767 HZ2 LYS 91 HZ2 LYS 91 4.693 -10.621 -2.059 768 HZ3 LYS 91 HZ3 LYS 91 3.030 -10.928 -2.148 769 H LYS 92 H LYS 92 7.985 -4.830 -3.131 770 HA LYS 92 HA LYS 92 8.379 -6.571 -0.956 771 HB2 LYS 92 HB2 LYS 92 10.181 -5.845 -2.492 772 HB3 LYS 92 HB3 LYS 92 10.073 -4.216 -1.846 773 HG2 LYS 92 HG2 LYS 92 11.976 -5.236 -0.821 774 HG3 LYS 92 HG3 LYS 92 10.710 -5.143 0.408 775 HD2 LYS 92 HD2 LYS 92 10.148 -7.541 -0.030 776 HD3 LYS 92 HD3 LYS 92 11.477 -7.615 -1.192 777 HE2 LYS 92 HE2 LYS 92 13.070 -7.060 0.652 778 HE3 LYS 92 HE3 LYS 92 11.721 -7.081 1.791 779 HZ1 LYS 92 HZ1 LYS 92 11.338 -9.417 1.124 780 HZ2 LYS 92 HZ2 LYS 92 12.829 -9.159 1.876 781 HZ3 LYS 92 HZ3 LYS 92 12.755 -9.357 0.200 782 H LYS 93 H LYS 93 7.774 -3.107 -1.078 783 HA LYS 93 HA LYS 93 8.154 -2.574 1.700 784 HB2 LYS 93 HB2 LYS 93 6.741 -1.014 -0.489 785 HB3 LYS 93 HB3 LYS 93 6.988 -0.391 1.135 786 HG2 LYS 93 HG2 LYS 93 9.176 -1.175 -0.818 787 HG3 LYS 93 HG3 LYS 93 8.683 0.471 -0.412 788 HD2 LYS 93 HD2 LYS 93 9.456 0.178 1.893 789 HD3 LYS 93 HD3 LYS 93 9.840 -1.519 1.589 790 HE2 LYS 93 HE2 LYS 93 11.587 -0.844 -0.014 791 HE3 LYS 93 HE3 LYS 93 11.183 0.854 0.246 792 HZ1 LYS 93 HZ1 LYS 93 13.097 0.217 1.526 793 HZ2 LYS 93 HZ2 LYS 93 12.234 -1.017 2.293 794 HZ3 LYS 93 HZ3 LYS 93 11.819 0.602 2.561 795 H LEU 94 H LEU 94 5.320 -3.525 -0.210 796 HA LEU 94 HA LEU 94 3.470 -3.252 2.007 797 HB2 LEU 94 HB2 LEU 94 2.779 -3.065 -0.398 798 HB3 LEU 94 HB3 LEU 94 3.088 -4.785 -0.590 799 HG LEU 94 HG LEU 94 1.321 -5.260 1.142 800 HD11 LEU 94 HD11 LEU 94 -0.238 -3.479 1.812 801 HD12 LEU 94 HD12 LEU 94 0.770 -2.277 1.005 802 HD13 LEU 94 HD13 LEU 94 1.393 -3.164 2.399 803 HD21 LEU 94 HD21 LEU 94 0.360 -3.638 -1.224 804 HD22 LEU 94 HD22 LEU 94 -0.603 -4.784 -0.290 805 HD23 LEU 94 HD23 LEU 94 0.767 -5.353 -1.237 806 H ASP 95 H ASP 95 5.435 -5.863 0.647 807 HA ASP 95 HA ASP 95 4.634 -8.051 2.218 808 HB2 ASP 95 HB2 ASP 95 7.310 -7.199 1.062 809 HB3 ASP 95 HB3 ASP 95 7.206 -8.647 2.042 810 H MET 96 H MET 96 6.948 -5.458 2.860 811 HA MET 96 HA MET 96 7.674 -6.072 5.491 812 HB2 MET 96 HB2 MET 96 8.947 -4.428 4.272 813 HB3 MET 96 HB3 MET 96 7.530 -3.431 4.012 814 HG2 MET 96 HG2 MET 96 7.454 -3.002 6.489 815 HG3 MET 96 HG3 MET 96 8.970 -3.886 6.636 816 HE1 MET 96 HE1 MET 96 8.523 -0.952 7.740 817 HE2 MET 96 HE2 MET 96 9.997 -0.132 7.219 818 HE3 MET 96 HE3 MET 96 10.077 -1.769 7.868 819 H VAL 97 H VAL 97 4.965 -3.992 4.316 820 HA VAL 97 HA VAL 97 3.962 -3.167 6.808 821 HB VAL 97 HB VAL 97 2.488 -3.584 4.173 822 HG11 VAL 97 HG11 VAL 97 1.490 -2.093 6.639 823 HG12 VAL 97 HG12 VAL 97 0.806 -3.576 5.970 824 HG13 VAL 97 HG13 VAL 97 0.714 -2.075 5.052 825 HG21 VAL 97 HG21 VAL 97 4.319 -1.931 4.086 826 HG22 VAL 97 HG22 VAL 97 3.614 -1.060 5.448 827 HG23 VAL 97 HG23 VAL 97 2.749 -1.142 3.908 828 H THR 98 H THR 98 3.129 -6.076 4.921 829 HA THR 98 HA THR 98 1.201 -7.216 6.653 830 HB THR 98 HB THR 98 3.161 -8.607 4.766 831 HG1 THR 98 HG1 THR 98 1.916 -7.472 3.433 832 HG21 THR 98 HG21 THR 98 1.551 -10.490 4.743 833 HG22 THR 98 HG22 THR 98 0.573 -9.677 5.966 834 HG23 THR 98 HG23 THR 98 2.200 -10.235 6.365 835 H ARG 99 H ARG 99 4.732 -7.580 6.482 836 HA ARG 99 HA ARG 99 5.034 -9.518 8.549 837 HB2 ARG 99 HB2 ARG 99 6.636 -9.145 6.673 838 HB3 ARG 99 HB3 ARG 99 7.064 -7.593 7.361 839 HG2 ARG 99 HG2 ARG 99 7.475 -10.092 9.003 840 HG3 ARG 99 HG3 ARG 99 8.613 -9.720 7.711 841 HD2 ARG 99 HD2 ARG 99 9.215 -7.622 8.761 842 HD3 ARG 99 HD3 ARG 99 7.944 -7.802 9.971 843 HE ARG 99 HE ARG 99 9.679 -10.012 10.119 844 HH11 ARG 99 HH11 ARG 99 9.665 -6.632 10.873 845 HH12 ARG 99 HH12 ARG 99 10.828 -6.816 12.140 846 HH21 ARG 99 HH21 ARG 99 11.127 -10.219 11.739 847 HH22 ARG 99 HH22 ARG 99 11.642 -8.825 12.624 848 H GLU 100 H GLU 100 5.043 -5.988 8.553 849 HA GLU 100 HA GLU 100 5.948 -5.648 11.267 850 HB2 GLU 100 HB2 GLU 100 4.696 -3.671 9.317 851 HB3 GLU 100 HB3 GLU 100 5.259 -3.227 10.921 852 HG2 GLU 100 HG2 GLU 100 6.944 -4.221 8.606 853 HG3 GLU 100 HG3 GLU 100 6.905 -2.588 9.258 854 H LEU 101 H LEU 101 2.855 -5.949 9.630 855 HA LEU 101 HA LEU 101 1.185 -5.269 11.858 856 HB2 LEU 101 HB2 LEU 101 0.675 -5.588 9.225 857 HB3 LEU 101 HB3 LEU 101 0.256 -7.208 9.733 858 HG LEU 101 HG LEU 101 -1.759 -5.891 9.594 859 HD11 LEU 101 HD11 LEU 101 -1.687 -7.493 11.447 860 HD12 LEU 101 HD12 LEU 101 -2.726 -6.119 11.789 861 HD13 LEU 101 HD13 LEU 101 -1.128 -6.216 12.532 862 HD21 LEU 101 HD21 LEU 101 -0.798 -3.652 9.757 863 HD22 LEU 101 HD22 LEU 101 -0.493 -3.884 11.480 864 HD23 LEU 101 HD23 LEU 101 -2.150 -3.837 10.873 865 H ASP 102 H ASP 102 2.502 -8.309 10.568 866 HA ASP 102 HA ASP 102 1.500 -10.120 12.495 867 HB2 ASP 102 HB2 ASP 102 2.603 -10.713 10.269 868 HB3 ASP 102 HB3 ASP 102 4.150 -10.276 10.979 869 H LYS 103 H LYS 103 4.413 -8.146 12.356 870 HA LYS 103 HA LYS 103 5.798 -9.074 14.625 871 HB2 LYS 103 HB2 LYS 103 6.968 -7.871 12.900 872 HB3 LYS 103 HB3 LYS 103 5.898 -6.485 13.053 873 HG2 LYS 103 HG2 LYS 103 6.863 -6.095 15.362 874 HG3 LYS 103 HG3 LYS 103 8.040 -7.369 15.017 875 HD2 LYS 103 HD2 LYS 103 8.986 -6.103 13.186 876 HD3 LYS 103 HD3 LYS 103 7.675 -4.922 13.244 877 HE2 LYS 103 HE2 LYS 103 8.475 -4.247 15.530 878 HE3 LYS 103 HE3 LYS 103 9.856 -5.325 15.315 879 HZ1 LYS 103 HZ1 LYS 103 10.250 -2.943 14.758 880 HZ2 LYS 103 HZ2 LYS 103 9.213 -3.133 13.432 881 HZ3 LYS 103 HZ3 LYS 103 10.636 -4.036 13.532 882 H LYS 104 H LYS 104 3.565 -6.262 14.246 883 HA LYS 104 HA LYS 104 4.196 -4.944 16.634 884 HB2 LYS 104 HB2 LYS 104 2.146 -3.635 16.342 885 HB3 LYS 104 HB3 LYS 104 3.065 -3.790 14.852 886 HG2 LYS 104 HG2 LYS 104 1.501 -5.534 14.072 887 HG3 LYS 104 HG3 LYS 104 0.558 -5.350 15.555 888 HD2 LYS 104 HD2 LYS 104 1.100 -2.925 13.855 889 HD3 LYS 104 HD3 LYS 104 -0.129 -4.069 13.310 890 HE2 LYS 104 HE2 LYS 104 -1.169 -2.240 14.564 891 HE3 LYS 104 HE3 LYS 104 -1.354 -3.753 15.442 892 HZ1 LYS 104 HZ1 LYS 104 -0.762 -1.877 16.868 893 HZ2 LYS 104 HZ2 LYS 104 0.699 -1.694 16.034 894 HZ3 LYS 104 HZ3 LYS 104 0.401 -3.102 16.917 895 H VAL 105 H VAL 105 1.935 -7.565 16.133 896 HA VAL 105 HA VAL 105 0.429 -7.365 18.543 897 HB VAL 105 HB VAL 105 0.994 -9.856 16.867 898 HG11 VAL 105 HG11 VAL 105 -1.161 -10.699 17.765 899 HG12 VAL 105 HG12 VAL 105 -1.302 -9.261 18.779 900 HG13 VAL 105 HG13 VAL 105 0.006 -10.412 19.058 901 HG21 VAL 105 HG21 VAL 105 -1.099 -9.319 15.655 902 HG22 VAL 105 HG22 VAL 105 0.103 -8.041 15.455 903 HG23 VAL 105 HG23 VAL 105 -1.248 -7.815 16.569 904 H SER 106 H SER 106 3.416 -9.093 17.703 905 HA SER 106 HA SER 106 3.874 -9.862 20.548 906 HB2 SER 106 HB2 SER 106 4.982 -11.105 17.987 907 HB3 SER 106 HB3 SER 106 5.424 -11.602 19.623 908 HG SER 106 HG SER 106 3.463 -12.535 18.230 909 H GLY 107 H GLY 107 4.525 -7.282 18.972 910 HA2 GLY 107 HA2 GLY 107 7.407 -7.218 18.658 911 HA3 GLY 107 HA3 GLY 107 6.286 -5.897 18.399 912 H SER 108 H SER 108 8.493 -7.360 20.590 913 HA SER 108 HA SER 108 7.834 -5.926 22.981 914 HB2 SER 108 HB2 SER 108 10.463 -7.218 22.143 915 HB3 SER 108 HB3 SER 108 10.101 -6.629 23.769 916 HG SER 108 HG SER 108 9.521 -8.685 23.918 917 H TYR 109 H TYR 109 9.167 -4.234 23.994 918 HA TYR 109 HA TYR 109 10.043 -2.196 22.114 919 HB2 TYR 109 HB2 TYR 109 10.280 -0.721 24.054 920 HB3 TYR 109 HB3 TYR 109 8.719 -1.514 24.074 921 HD1 TYR 109 HD2 TYR 109 8.474 -3.603 25.664 922 HD2 TYR 109 HD1 TYR 109 11.641 -0.742 26.004 923 HE1 TYR 109 HE2 TYR 109 8.882 -4.315 27.983 924 HE2 TYR 109 HE1 TYR 109 12.044 -1.466 28.320 925 HH TYR 109 HH TYR 109 10.839 -2.567 30.148 926 H LEU 110 H LEU 110 11.920 -2.811 21.115 927 HA LEU 110 HA LEU 110 14.212 -3.859 22.569 928 HB2 LEU 110 HB2 LEU 110 13.767 -3.151 19.651 929 HB3 LEU 110 HB3 LEU 110 15.370 -3.530 20.254 930 HG LEU 110 HG LEU 110 14.493 -5.784 20.996 931 HD11 LEU 110 HD11 LEU 110 12.098 -5.293 21.116 932 HD12 LEU 110 HD12 LEU 110 12.422 -6.660 20.054 933 HD13 LEU 110 HD13 LEU 110 12.043 -5.080 19.364 934 HD21 LEU 110 HD21 LEU 110 15.795 -5.529 18.933 935 HD22 LEU 110 HD22 LEU 110 14.314 -5.220 18.021 936 HD23 LEU 110 HD23 LEU 110 14.579 -6.794 18.773 937 H VAL 111 H VAL 111 16.015 -2.776 23.212 938 HA VAL 111 HA VAL 111 16.130 0.029 23.520 939 HB VAL 111 HB VAL 111 18.495 -0.319 24.225 940 HG11 VAL 111 HG11 VAL 111 18.069 -1.866 26.118 941 HG12 VAL 111 HG12 VAL 111 16.602 -2.438 25.322 942 HG13 VAL 111 HG13 VAL 111 16.715 -0.761 25.865 943 HG21 VAL 111 HG21 VAL 111 18.138 -3.200 23.276 944 HG22 VAL 111 HG22 VAL 111 19.526 -2.589 24.178 945 HG23 VAL 111 HG23 VAL 111 19.204 -1.993 22.549 946 HA PRO 112 HA PRO 112 17.652 1.520 19.536 947 HB2 PRO 112 HB2 PRO 112 19.332 3.599 20.251 948 HB3 PRO 112 HB3 PRO 112 17.568 3.701 20.326 949 HG2 PRO 112 HG2 PRO 112 19.531 3.115 22.541 950 HG3 PRO 112 HG3 PRO 112 18.125 4.203 22.551 951 HD2 PRO 112 HD2 PRO 112 18.013 1.725 23.648 952 HD3 PRO 112 HD3 PRO 112 16.602 2.442 22.832 953 H ARG 113 H ARG 113 18.731 -0.451 19.065 954 HA ARG 113 HA ARG 113 21.448 -1.014 19.874 955 HB2 ARG 113 HB2 ARG 113 19.489 -2.685 19.494 956 HB3 ARG 113 HB3 ARG 113 19.825 -2.529 17.783 957 HG2 ARG 113 HG2 ARG 113 22.074 -3.340 19.622 958 HG3 ARG 113 HG3 ARG 113 20.825 -4.523 19.252 959 HD2 ARG 113 HD2 ARG 113 22.594 -4.928 17.704 960 HD3 ARG 113 HD3 ARG 113 21.329 -4.118 16.783 961 HE ARG 113 HE ARG 113 23.263 -2.271 17.791 962 HH11 ARG 113 HH11 ARG 113 22.797 -4.532 15.206 963 HH12 ARG 113 HH12 ARG 113 23.895 -3.695 14.166 964 HH21 ARG 113 HH21 ARG 113 24.606 -1.230 16.441 965 HH22 ARG 113 HH22 ARG 113 24.886 -1.841 14.847 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -13.098 9.387 10.640 2 H2 MET 1 H2 MET 1 -12.324 9.651 12.115 3 H3 MET 1 H3 MET 1 -13.941 10.105 11.917 4 HA MET 1 HA MET 1 -14.580 7.804 11.623 5 HB2 MET 1 HB2 MET 1 -11.663 7.220 12.308 6 HB3 MET 1 HB3 MET 1 -12.926 6.003 12.144 7 HG2 MET 1 HG2 MET 1 -11.537 6.029 10.162 8 HG3 MET 1 HG3 MET 1 -13.155 6.597 9.744 9 HE1 MET 1 HE1 MET 1 -10.660 8.643 7.404 10 HE2 MET 1 HE2 MET 1 -12.030 7.530 7.412 11 HE3 MET 1 HE3 MET 1 -10.443 6.989 7.966 12 H GLY 2 H GLY 2 -15.186 6.497 13.479 13 HA2 GLY 2 HA2 GLY 2 -15.625 7.959 15.843 14 HA3 GLY 2 HA3 GLY 2 -15.892 6.234 15.642 15 H SER 3 H SER 3 -14.381 8.320 17.605 16 HA SER 3 HA SER 3 -11.739 7.213 17.897 17 HB2 SER 3 HB2 SER 3 -12.213 9.542 18.548 18 HB3 SER 3 HB3 SER 3 -13.339 8.994 19.788 19 HG SER 3 HG SER 3 -11.647 8.137 20.940 20 H HIS 4 H HIS 4 -12.259 4.956 18.026 21 HA HIS 4 HA HIS 4 -13.002 3.974 20.716 22 HB2 HIS 4 HB2 HIS 4 -14.242 3.034 18.086 23 HB3 HIS 4 HB3 HIS 4 -14.364 2.124 19.586 24 HD1 HIS 4 HD1 HIS 4 -16.316 2.676 21.057 25 HD2 HIS 4 HD2 HIS 4 -15.628 5.635 18.230 26 HE1 HIS 4 HE1 HIS 4 -18.242 4.258 21.256 27 HE2 HIS 4 HE2 HIS 4 -17.917 5.896 19.384 28 H GLN 5 H GLN 5 -11.986 2.070 21.332 29 HA GLN 5 HA GLN 5 -9.714 1.031 19.956 30 HB2 GLN 5 HB2 GLN 5 -10.032 0.908 22.427 31 HB3 GLN 5 HB3 GLN 5 -11.360 -0.224 22.200 32 HG2 GLN 5 HG2 GLN 5 -9.837 -1.904 21.300 33 HG3 GLN 5 HG3 GLN 5 -8.494 -0.764 21.347 34 HE21 GLN 5 HE21 GLN 5 -10.595 -2.785 23.276 35 HE22 GLN 5 HE22 GLN 5 -9.627 -2.755 24.703 36 H GLU 6 H GLU 6 -13.103 0.204 19.988 37 HA GLU 6 HA GLU 6 -13.250 -2.216 18.632 38 HB2 GLU 6 HB2 GLU 6 -15.089 0.201 18.392 39 HB3 GLU 6 HB3 GLU 6 -15.510 -1.442 17.909 40 HG2 GLU 6 HG2 GLU 6 -15.457 -2.226 20.179 41 HG3 GLU 6 HG3 GLU 6 -14.717 -0.728 20.747 42 H TYR 7 H TYR 7 -12.837 1.056 17.255 43 HA TYR 7 HA TYR 7 -12.866 0.465 14.499 44 HB2 TYR 7 HB2 TYR 7 -12.861 2.794 15.300 45 HB3 TYR 7 HB3 TYR 7 -11.277 2.583 16.030 46 HD1 TYR 7 HD1 TYR 7 -13.065 2.827 12.761 47 HD2 TYR 7 HD2 TYR 7 -9.251 2.882 14.696 48 HE1 TYR 7 HE1 TYR 7 -12.011 3.593 10.677 49 HE2 TYR 7 HE2 TYR 7 -8.201 3.655 12.610 50 HH TYR 7 HH TYR 7 -8.671 3.576 10.164 51 H ILE 8 H ILE 8 -10.212 0.472 16.838 52 HA ILE 8 HA ILE 8 -8.044 -0.063 15.129 53 HB ILE 8 HB ILE 8 -8.358 -0.695 18.100 54 HG12 ILE 8 HG12 ILE 8 -7.155 1.785 16.765 55 HG13 ILE 8 HG13 ILE 8 -8.744 1.718 17.517 56 HG21 ILE 8 HG21 ILE 8 -5.792 -0.449 16.484 57 HG22 ILE 8 HG22 ILE 8 -6.455 -1.936 17.167 58 HG23 ILE 8 HG23 ILE 8 -5.888 -0.652 18.234 59 HD11 ILE 8 HD11 ILE 8 -7.158 2.806 18.968 60 HD12 ILE 8 HD12 ILE 8 -6.089 1.405 18.923 61 HD13 ILE 8 HD13 ILE 8 -7.674 1.285 19.695 62 H LYS 9 H LYS 9 -10.216 -2.272 16.887 63 HA LYS 9 HA LYS 9 -8.909 -4.733 16.405 64 HB2 LYS 9 HB2 LYS 9 -11.912 -4.279 16.634 65 HB3 LYS 9 HB3 LYS 9 -11.062 -5.797 16.897 66 HG2 LYS 9 HG2 LYS 9 -10.021 -4.900 18.912 67 HG3 LYS 9 HG3 LYS 9 -10.747 -3.317 18.606 68 HD2 LYS 9 HD2 LYS 9 -13.027 -4.452 18.735 69 HD3 LYS 9 HD3 LYS 9 -12.191 -5.903 19.294 70 HE2 LYS 9 HE2 LYS 9 -11.336 -4.650 21.236 71 HE3 LYS 9 HE3 LYS 9 -12.156 -3.200 20.657 72 HZ1 LYS 9 HZ1 LYS 9 -13.469 -5.730 21.487 73 HZ2 LYS 9 HZ2 LYS 9 -14.269 -4.362 20.899 74 HZ3 LYS 9 HZ3 LYS 9 -13.439 -4.287 22.372 75 H LYS 10 H LYS 10 -11.537 -3.128 14.599 76 HA LYS 10 HA LYS 10 -11.939 -5.164 12.649 77 HB2 LYS 10 HB2 LYS 10 -12.665 -2.212 12.540 78 HB3 LYS 10 HB3 LYS 10 -13.304 -3.448 11.466 79 HG2 LYS 10 HG2 LYS 10 -14.372 -4.559 13.425 80 HG3 LYS 10 HG3 LYS 10 -13.784 -3.252 14.459 81 HD2 LYS 10 HD2 LYS 10 -15.741 -2.990 12.135 82 HD3 LYS 10 HD3 LYS 10 -16.131 -2.853 13.851 83 HE2 LYS 10 HE2 LYS 10 -14.759 -0.809 14.011 84 HE3 LYS 10 HE3 LYS 10 -14.316 -0.955 12.307 85 HZ1 LYS 10 HZ1 LYS 10 -16.063 0.613 12.489 86 HZ2 LYS 10 HZ2 LYS 10 -17.012 -0.433 13.423 87 HZ3 LYS 10 HZ3 LYS 10 -16.726 -0.783 11.789 88 H VAL 11 H VAL 11 -10.177 -2.098 12.589 89 HA VAL 11 HA VAL 11 -9.583 -2.076 9.827 90 HB VAL 11 HB VAL 11 -9.636 -0.094 11.486 91 HG11 VAL 11 HG11 VAL 11 -7.505 0.637 12.468 92 HG12 VAL 11 HG12 VAL 11 -6.727 -0.851 11.928 93 HG13 VAL 11 HG13 VAL 11 -8.012 -0.917 13.137 94 HG21 VAL 11 HG21 VAL 11 -9.113 0.184 9.119 95 HG22 VAL 11 HG22 VAL 11 -7.420 -0.221 9.420 96 HG23 VAL 11 HG23 VAL 11 -8.109 1.256 10.099 97 H THR 12 H THR 12 -8.031 -3.674 12.482 98 HA THR 12 HA THR 12 -5.472 -4.245 11.430 99 HB THR 12 HB THR 12 -7.259 -5.890 13.277 100 HG1 THR 12 HG1 THR 12 -6.423 -3.696 13.884 101 HG21 THR 12 HG21 THR 12 -5.236 -7.081 14.023 102 HG22 THR 12 HG22 THR 12 -4.268 -6.227 12.821 103 HG23 THR 12 HG23 THR 12 -5.514 -7.362 12.303 104 H ASP 13 H ASP 13 -8.564 -6.061 11.111 105 HA ASP 13 HA ASP 13 -7.513 -8.031 9.283 106 HB2 ASP 13 HB2 ASP 13 -10.449 -7.302 9.716 107 HB3 ASP 13 HB3 ASP 13 -9.815 -8.820 9.085 108 H GLU 14 H GLU 14 -9.370 -5.021 8.933 109 HA GLU 14 HA GLU 14 -9.800 -5.050 6.144 110 HB2 GLU 14 HB2 GLU 14 -9.505 -2.732 8.079 111 HB3 GLU 14 HB3 GLU 14 -9.990 -2.531 6.401 112 HG2 GLU 14 HG2 GLU 14 -12.024 -3.832 6.785 113 HG3 GLU 14 HG3 GLU 14 -11.517 -4.180 8.441 114 H LEU 15 H LEU 15 -6.948 -4.175 8.019 115 HA LEU 15 HA LEU 15 -5.346 -2.995 6.031 116 HB2 LEU 15 HB2 LEU 15 -4.665 -2.997 8.364 117 HB3 LEU 15 HB3 LEU 15 -4.640 -4.747 8.410 118 HG LEU 15 HG LEU 15 -2.763 -3.968 6.361 119 HD11 LEU 15 HD11 LEU 15 -1.131 -2.614 7.569 120 HD12 LEU 15 HD12 LEU 15 -2.274 -2.397 8.898 121 HD13 LEU 15 HD13 LEU 15 -2.636 -1.738 7.303 122 HD21 LEU 15 HD21 LEU 15 -2.239 -5.048 9.143 123 HD22 LEU 15 HD22 LEU 15 -1.124 -5.105 7.771 124 HD23 LEU 15 HD23 LEU 15 -2.642 -6.007 7.715 125 H LYS 16 H LYS 16 -5.789 -6.447 6.887 126 HA LYS 16 HA LYS 16 -4.066 -7.549 4.893 127 HB2 LYS 16 HB2 LYS 16 -6.163 -8.666 6.736 128 HB3 LYS 16 HB3 LYS 16 -5.730 -9.649 5.356 129 HG2 LYS 16 HG2 LYS 16 -4.484 -10.316 7.345 130 HG3 LYS 16 HG3 LYS 16 -3.406 -9.737 6.074 131 HD2 LYS 16 HD2 LYS 16 -3.167 -7.579 7.237 132 HD3 LYS 16 HD3 LYS 16 -4.300 -8.111 8.483 133 HE2 LYS 16 HE2 LYS 16 -1.912 -8.263 9.188 134 HE3 LYS 16 HE3 LYS 16 -2.742 -9.817 9.243 135 HZ1 LYS 16 HZ1 LYS 16 -1.713 -10.401 7.138 136 HZ2 LYS 16 HZ2 LYS 16 -0.541 -10.028 8.299 137 HZ3 LYS 16 HZ3 LYS 16 -0.913 -8.911 7.084 138 H GLU 17 H GLU 17 -7.556 -6.827 4.877 139 HA GLU 17 HA GLU 17 -8.242 -7.829 2.323 140 HB2 GLU 17 HB2 GLU 17 -9.376 -5.386 3.743 141 HB3 GLU 17 HB3 GLU 17 -10.130 -6.204 2.379 142 HG2 GLU 17 HG2 GLU 17 -9.692 -7.365 5.146 143 HG3 GLU 17 HG3 GLU 17 -11.220 -6.787 4.487 144 H LEU 18 H LEU 18 -7.071 -4.703 3.341 145 HA LEU 18 HA LEU 18 -7.132 -3.335 0.893 146 HB2 LEU 18 HB2 LEU 18 -6.696 -2.693 3.543 147 HB3 LEU 18 HB3 LEU 18 -5.065 -2.567 2.927 148 HG LEU 18 HG LEU 18 -5.663 -0.761 1.444 149 HD11 LEU 18 HD11 LEU 18 -8.555 -1.336 2.160 150 HD12 LEU 18 HD12 LEU 18 -7.770 -1.623 0.604 151 HD13 LEU 18 HD13 LEU 18 -7.987 0.026 1.183 152 HD21 LEU 18 HD21 LEU 18 -7.112 -0.304 4.085 153 HD22 LEU 18 HD22 LEU 18 -6.486 0.939 2.998 154 HD23 LEU 18 HD23 LEU 18 -5.372 -0.135 3.835 155 H ILE 19 H ILE 19 -4.533 -5.025 2.569 156 HA ILE 19 HA ILE 19 -2.431 -4.744 0.724 157 HB ILE 19 HB ILE 19 -3.053 -6.660 2.990 158 HG12 ILE 19 HG12 ILE 19 -0.779 -4.646 2.638 159 HG13 ILE 19 HG13 ILE 19 -2.307 -4.284 3.434 160 HG21 ILE 19 HG21 ILE 19 -1.840 -8.115 1.461 161 HG22 ILE 19 HG22 ILE 19 -0.804 -7.699 2.829 162 HG23 ILE 19 HG23 ILE 19 -0.565 -6.909 1.271 163 HD11 ILE 19 HD11 ILE 19 -0.295 -6.327 4.360 164 HD12 ILE 19 HD12 ILE 19 -1.804 -5.904 5.174 165 HD13 ILE 19 HD13 ILE 19 -0.515 -4.709 5.021 166 H GLN 20 H GLN 20 -5.005 -7.213 0.958 167 HA GLN 20 HA GLN 20 -4.072 -8.973 -1.048 168 HB2 GLN 20 HB2 GLN 20 -5.874 -9.610 0.520 169 HB3 GLN 20 HB3 GLN 20 -6.942 -8.413 -0.196 170 HG2 GLN 20 HG2 GLN 20 -7.621 -10.524 -1.058 171 HG3 GLN 20 HG3 GLN 20 -6.793 -9.698 -2.372 172 HE21 GLN 20 HE21 GLN 20 -7.291 -12.529 -2.065 173 HE22 GLN 20 HE22 GLN 20 -5.755 -13.310 -2.086 174 H ASN 21 H ASN 21 -6.338 -6.195 -1.288 175 HA ASN 21 HA ASN 21 -6.792 -6.350 -4.077 176 HB2 ASN 21 HB2 ASN 21 -6.997 -3.944 -2.221 177 HB3 ASN 21 HB3 ASN 21 -7.528 -3.934 -3.898 178 HD21 ASN 21 HD21 ASN 21 -8.333 -4.835 -0.698 179 HD22 ASN 21 HD22 ASN 21 -9.883 -5.499 -1.044 180 H VAL 22 H VAL 22 -4.313 -4.557 -2.223 181 HA VAL 22 HA VAL 22 -3.154 -3.145 -4.397 182 HB VAL 22 HB VAL 22 -1.856 -3.991 -1.756 183 HG11 VAL 22 HG11 VAL 22 -0.087 -3.541 -3.378 184 HG12 VAL 22 HG12 VAL 22 -0.158 -2.212 -2.223 185 HG13 VAL 22 HG13 VAL 22 -0.843 -2.015 -3.843 186 HG21 VAL 22 HG21 VAL 22 -3.769 -2.466 -1.467 187 HG22 VAL 22 HG22 VAL 22 -3.051 -1.323 -2.600 188 HG23 VAL 22 HG23 VAL 22 -2.258 -1.655 -1.058 189 H ASN 23 H ASN 23 -2.034 -6.157 -2.776 190 HA ASN 23 HA ASN 23 0.095 -6.806 -4.440 191 HB2 ASN 23 HB2 ASN 23 -1.745 -8.584 -2.799 192 HB3 ASN 23 HB3 ASN 23 -0.388 -9.250 -3.706 193 HD21 ASN 23 HD21 ASN 23 -0.880 -9.132 -0.794 194 HD22 ASN 23 HD22 ASN 23 0.515 -8.363 -0.134 195 H ASP 24 H ASP 24 -3.297 -7.984 -4.736 196 HA ASP 24 HA ASP 24 -2.971 -9.532 -7.043 197 HB2 ASP 24 HB2 ASP 24 -5.404 -8.151 -5.873 198 HB3 ASP 24 HB3 ASP 24 -5.519 -9.140 -7.325 199 H ASP 25 H ASP 25 -3.829 -6.070 -6.806 200 HA ASP 25 HA ASP 25 -4.098 -5.581 -9.579 201 HB2 ASP 25 HB2 ASP 25 -3.809 -3.911 -7.130 202 HB3 ASP 25 HB3 ASP 25 -3.212 -3.132 -8.587 203 H ILE 26 H ILE 26 -1.215 -5.150 -7.452 204 HA ILE 26 HA ILE 26 0.613 -4.259 -9.396 205 HB ILE 26 HB ILE 26 1.287 -5.994 -6.970 206 HG12 ILE 26 HG12 ILE 26 1.383 -2.943 -7.120 207 HG13 ILE 26 HG13 ILE 26 0.048 -3.841 -6.410 208 HG21 ILE 26 HG21 ILE 26 3.157 -5.907 -8.557 209 HG22 ILE 26 HG22 ILE 26 3.552 -4.966 -7.123 210 HG23 ILE 26 HG23 ILE 26 3.072 -4.144 -8.608 211 HD11 ILE 26 HD11 ILE 26 1.589 -3.021 -4.719 212 HD12 ILE 26 HD12 ILE 26 2.914 -3.920 -5.456 213 HD13 ILE 26 HD13 ILE 26 1.551 -4.783 -4.732 214 H LYS 27 H LYS 27 -0.243 -7.560 -8.400 215 HA LYS 27 HA LYS 27 1.572 -9.100 -9.847 216 HB2 LYS 27 HB2 LYS 27 -1.273 -9.625 -8.936 217 HB3 LYS 27 HB3 LYS 27 -0.370 -10.855 -9.811 218 HG2 LYS 27 HG2 LYS 27 1.153 -11.192 -8.054 219 HG3 LYS 27 HG3 LYS 27 0.835 -9.615 -7.336 220 HD2 LYS 27 HD2 LYS 27 -0.070 -11.507 -5.977 221 HD3 LYS 27 HD3 LYS 27 -1.309 -10.360 -6.474 222 HE2 LYS 27 HE2 LYS 27 -1.981 -11.921 -8.300 223 HE3 LYS 27 HE3 LYS 27 -0.774 -13.074 -7.728 224 HZ1 LYS 27 HZ1 LYS 27 -3.091 -12.078 -6.159 225 HZ2 LYS 27 HZ2 LYS 27 -1.947 -13.190 -5.624 226 HZ3 LYS 27 HZ3 LYS 27 -2.975 -13.593 -6.895 227 H GLU 28 H GLU 28 -1.481 -7.637 -10.908 228 HA GLU 28 HA GLU 28 -1.365 -8.648 -13.588 229 HB2 GLU 28 HB2 GLU 28 -2.910 -6.289 -12.438 230 HB3 GLU 28 HB3 GLU 28 -3.123 -6.924 -14.067 231 HG2 GLU 28 HG2 GLU 28 -3.782 -9.132 -13.051 232 HG3 GLU 28 HG3 GLU 28 -3.712 -8.367 -11.466 233 H VAL 29 H VAL 29 -0.213 -5.622 -12.023 234 HA VAL 29 HA VAL 29 0.417 -4.324 -14.505 235 HB VAL 29 HB VAL 29 1.706 -3.454 -11.897 236 HG11 VAL 29 HG11 VAL 29 1.509 -1.218 -12.946 237 HG12 VAL 29 HG12 VAL 29 0.762 -1.944 -14.363 238 HG13 VAL 29 HG13 VAL 29 2.436 -2.331 -13.945 239 HG21 VAL 29 HG21 VAL 29 -1.143 -2.779 -12.732 240 HG22 VAL 29 HG22 VAL 29 -0.247 -2.005 -11.416 241 HG23 VAL 29 HG23 VAL 29 -0.658 -3.716 -11.318 242 H GLU 30 H GLU 30 2.311 -6.437 -12.406 243 HA GLU 30 HA GLU 30 4.928 -5.855 -13.319 244 HB2 GLU 30 HB2 GLU 30 3.789 -8.543 -12.421 245 HB3 GLU 30 HB3 GLU 30 5.507 -8.163 -12.562 246 HG2 GLU 30 HG2 GLU 30 5.325 -6.472 -10.798 247 HG3 GLU 30 HG3 GLU 30 3.595 -6.747 -10.676 248 H LYS 31 H LYS 31 2.346 -7.803 -14.629 249 HA LYS 31 HA LYS 31 3.900 -8.761 -16.915 250 HB2 LYS 31 HB2 LYS 31 2.306 -10.213 -15.559 251 HB3 LYS 31 HB3 LYS 31 0.975 -9.264 -16.214 252 HG2 LYS 31 HG2 LYS 31 1.493 -10.012 -18.471 253 HG3 LYS 31 HG3 LYS 31 2.941 -10.845 -17.894 254 HD2 LYS 31 HD2 LYS 31 0.084 -11.546 -17.090 255 HD3 LYS 31 HD3 LYS 31 1.028 -12.406 -18.308 256 HE2 LYS 31 HE2 LYS 31 2.670 -13.061 -16.597 257 HE3 LYS 31 HE3 LYS 31 1.779 -12.162 -15.367 258 HZ1 LYS 31 HZ1 LYS 31 0.866 -14.573 -16.837 259 HZ2 LYS 31 HZ2 LYS 31 -0.124 -13.658 -15.812 260 HZ3 LYS 31 HZ3 LYS 31 1.235 -14.448 -15.188 261 H ASN 32 H ASN 32 1.487 -6.334 -16.129 262 HA ASN 32 HA ASN 32 1.381 -5.354 -18.934 263 HB2 ASN 32 HB2 ASN 32 -0.957 -5.358 -16.958 264 HB3 ASN 32 HB3 ASN 32 -0.998 -4.736 -18.608 265 HD21 ASN 32 HD21 ASN 32 -0.968 -7.618 -16.640 266 HD22 ASN 32 HD22 ASN 32 -1.385 -8.718 -17.901 267 HA PRO 33 HA PRO 33 2.945 -2.201 -15.845 268 HB2 PRO 33 HB2 PRO 33 5.244 -1.605 -17.537 269 HB3 PRO 33 HB3 PRO 33 5.206 -2.525 -16.032 270 HG2 PRO 33 HG2 PRO 33 5.760 -3.634 -18.507 271 HG3 PRO 33 HG3 PRO 33 5.116 -4.548 -17.126 272 HD2 PRO 33 HD2 PRO 33 3.623 -3.373 -19.483 273 HD3 PRO 33 HD3 PRO 33 3.467 -4.986 -18.740 274 H GLU 34 H GLU 34 0.881 -1.402 -17.662 275 HA GLU 34 HA GLU 34 1.651 1.400 -18.152 276 HB2 GLU 34 HB2 GLU 34 0.532 -0.507 -20.246 277 HB3 GLU 34 HB3 GLU 34 0.201 1.217 -20.371 278 HG2 GLU 34 HG2 GLU 34 2.997 0.091 -20.181 279 HG3 GLU 34 HG3 GLU 34 2.169 0.353 -21.720 280 H ASP 35 H ASP 35 -0.839 -0.899 -17.312 281 HA ASP 35 HA ASP 35 -3.088 0.809 -17.492 282 HB2 ASP 35 HB2 ASP 35 -2.590 -1.617 -15.726 283 HB3 ASP 35 HB3 ASP 35 -4.148 -0.803 -15.851 284 H MET 36 H MET 36 -2.540 2.817 -16.725 285 HA MET 36 HA MET 36 -1.562 3.476 -14.156 286 HB2 MET 36 HB2 MET 36 -3.330 5.196 -15.929 287 HB3 MET 36 HB3 MET 36 -2.280 5.749 -14.659 288 HG2 MET 36 HG2 MET 36 -1.189 4.360 -17.107 289 HG3 MET 36 HG3 MET 36 -1.532 6.085 -17.091 290 HE1 MET 36 HE1 MET 36 1.934 4.037 -14.839 291 HE2 MET 36 HE2 MET 36 0.990 3.292 -16.134 292 HE3 MET 36 HE3 MET 36 0.276 3.530 -14.529 293 H GLU 37 H GLU 37 -4.730 2.780 -15.389 294 HA GLU 37 HA GLU 37 -6.465 3.571 -13.357 295 HB2 GLU 37 HB2 GLU 37 -6.581 1.189 -15.251 296 HB3 GLU 37 HB3 GLU 37 -7.901 1.581 -14.155 297 HG2 GLU 37 HG2 GLU 37 -8.362 2.413 -16.396 298 HG3 GLU 37 HG3 GLU 37 -8.209 3.745 -15.255 299 H TYR 38 H TYR 38 -4.595 0.533 -13.623 300 HA TYR 38 HA TYR 38 -5.440 -0.649 -11.180 301 HB2 TYR 38 HB2 TYR 38 -2.882 -1.011 -12.782 302 HB3 TYR 38 HB3 TYR 38 -3.261 -1.978 -11.364 303 HD1 TYR 38 HD1 TYR 38 -6.410 -1.646 -12.736 304 HD2 TYR 38 HD2 TYR 38 -2.658 -3.483 -13.667 305 HE1 TYR 38 HE1 TYR 38 -7.553 -3.276 -14.165 306 HE2 TYR 38 HE2 TYR 38 -3.816 -5.105 -15.100 307 HH TYR 38 HH TYR 38 -6.085 -6.085 -15.316 308 H TRP 39 H TRP 39 -2.657 1.434 -11.984 309 HA TRP 39 HA TRP 39 -1.556 1.608 -9.382 310 HB2 TRP 39 HB2 TRP 39 -1.257 3.374 -11.830 311 HB3 TRP 39 HB3 TRP 39 -0.413 3.723 -10.329 312 HD1 TRP 39 HD1 TRP 39 0.286 2.168 -13.479 313 HE1 TRP 39 HE1 TRP 39 2.227 0.512 -13.348 314 HE3 TRP 39 HE3 TRP 39 0.478 1.559 -8.398 315 HZ2 TRP 39 HZ2 TRP 39 3.627 -0.934 -11.346 316 HZ3 TRP 39 HZ3 TRP 39 2.138 0.006 -7.452 317 HH2 TRP 39 HH2 TRP 39 3.686 -1.217 -8.900 318 H ASN 40 H ASN 40 -4.170 3.446 -10.885 319 HA ASN 40 HA ASN 40 -4.301 5.616 -9.044 320 HB2 ASN 40 HB2 ASN 40 -6.518 4.342 -10.710 321 HB3 ASN 40 HB3 ASN 40 -6.698 5.857 -9.825 322 HD21 ASN 40 HD21 ASN 40 -6.940 5.328 -12.671 323 HD22 ASN 40 HD22 ASN 40 -5.791 6.342 -13.448 324 H LYS 41 H LYS 41 -5.993 2.521 -9.256 325 HA LYS 41 HA LYS 41 -7.360 2.551 -6.809 326 HB2 LYS 41 HB2 LYS 41 -6.288 0.254 -8.466 327 HB3 LYS 41 HB3 LYS 41 -7.256 -0.001 -7.020 328 HG2 LYS 41 HG2 LYS 41 -9.094 1.370 -8.099 329 HG3 LYS 41 HG3 LYS 41 -8.125 1.401 -9.577 330 HD2 LYS 41 HD2 LYS 41 -9.127 -1.120 -8.189 331 HD3 LYS 41 HD3 LYS 41 -9.884 -0.375 -9.599 332 HE2 LYS 41 HE2 LYS 41 -8.080 -0.953 -11.019 333 HE3 LYS 41 HE3 LYS 41 -6.981 -1.242 -9.668 334 HZ1 LYS 41 HZ1 LYS 41 -7.723 -3.294 -10.677 335 HZ2 LYS 41 HZ2 LYS 41 -9.336 -2.911 -10.342 336 HZ3 LYS 41 HZ3 LYS 41 -8.248 -3.184 -9.076 337 H ILE 42 H ILE 42 -4.161 1.049 -7.503 338 HA ILE 42 HA ILE 42 -3.483 0.212 -4.932 339 HB ILE 42 HB ILE 42 -1.685 1.168 -7.204 340 HG12 ILE 42 HG12 ILE 42 -2.306 -1.687 -6.305 341 HG13 ILE 42 HG13 ILE 42 -3.198 -0.859 -7.580 342 HG21 ILE 42 HG21 ILE 42 -0.808 -0.327 -4.693 343 HG22 ILE 42 HG22 ILE 42 -0.371 1.327 -5.130 344 HG23 ILE 42 HG23 ILE 42 0.205 -0.023 -6.107 345 HD11 ILE 42 HD11 ILE 42 -1.522 -2.394 -8.465 346 HD12 ILE 42 HD12 ILE 42 -0.244 -1.509 -7.633 347 HD13 ILE 42 HD13 ILE 42 -1.163 -0.729 -8.924 348 H TYR 43 H TYR 43 -3.154 3.403 -6.395 349 HA TYR 43 HA TYR 43 -1.577 4.634 -4.381 350 HB2 TYR 43 HB2 TYR 43 -1.828 5.490 -6.722 351 HB3 TYR 43 HB3 TYR 43 -3.485 5.960 -6.355 352 HD1 TYR 43 HD2 TYR 43 0.090 6.629 -5.502 353 HD2 TYR 43 HD1 TYR 43 -3.932 8.062 -5.199 354 HE1 TYR 43 HE2 TYR 43 0.919 8.796 -4.681 355 HE2 TYR 43 HE1 TYR 43 -3.093 10.215 -4.369 356 HH TYR 43 HH TYR 43 0.181 11.093 -4.552 357 H ARG 44 H ARG 44 -5.149 4.712 -4.987 358 HA ARG 44 HA ARG 44 -5.709 6.186 -2.597 359 HB2 ARG 44 HB2 ARG 44 -8.132 5.709 -3.059 360 HB3 ARG 44 HB3 ARG 44 -7.264 6.490 -4.364 361 HG2 ARG 44 HG2 ARG 44 -8.629 4.958 -5.473 362 HG3 ARG 44 HG3 ARG 44 -7.068 4.143 -5.420 363 HD2 ARG 44 HD2 ARG 44 -8.858 2.558 -4.934 364 HD3 ARG 44 HD3 ARG 44 -7.870 2.791 -3.489 365 HE ARG 44 HE ARG 44 -10.087 4.557 -3.475 366 HH11 ARG 44 HH11 ARG 44 -9.358 1.222 -2.961 367 HH12 ARG 44 HH12 ARG 44 -10.683 0.992 -1.883 368 HH21 ARG 44 HH21 ARG 44 -11.788 4.228 -2.112 369 HH22 ARG 44 HH22 ARG 44 -12.046 2.667 -1.415 370 H LEU 45 H LEU 45 -5.386 2.766 -3.200 371 HA LEU 45 HA LEU 45 -6.559 1.770 -0.792 372 HB2 LEU 45 HB2 LEU 45 -4.405 0.626 -2.605 373 HB3 LEU 45 HB3 LEU 45 -5.072 -0.255 -1.241 374 HG LEU 45 HG LEU 45 -6.782 0.709 -3.572 375 HD11 LEU 45 HD11 LEU 45 -6.719 -1.588 -4.457 376 HD12 LEU 45 HD12 LEU 45 -5.536 -2.039 -3.228 377 HD13 LEU 45 HD13 LEU 45 -5.119 -0.848 -4.463 378 HD21 LEU 45 HD21 LEU 45 -8.417 -0.922 -2.741 379 HD22 LEU 45 HD22 LEU 45 -8.031 0.276 -1.509 380 HD23 LEU 45 HD23 LEU 45 -7.336 -1.345 -1.409 381 H VAL 46 H VAL 46 -3.201 2.549 -1.695 382 HA VAL 46 HA VAL 46 -2.062 2.211 0.912 383 HB VAL 46 HB VAL 46 -1.000 3.522 -1.629 384 HG11 VAL 46 HG11 VAL 46 0.157 4.583 0.259 385 HG12 VAL 46 HG12 VAL 46 1.258 3.496 -0.586 386 HG13 VAL 46 HG13 VAL 46 0.534 3.002 0.947 387 HG21 VAL 46 HG21 VAL 46 -0.361 0.846 -0.314 388 HG22 VAL 46 HG22 VAL 46 0.398 1.470 -1.780 389 HG23 VAL 46 HG23 VAL 46 -1.321 1.083 -1.778 390 H HIS 47 H HIS 47 -3.511 4.932 -0.780 391 HA HIS 47 HA HIS 47 -2.871 7.065 0.982 392 HB2 HIS 47 HB2 HIS 47 -3.930 7.355 -1.271 393 HB3 HIS 47 HB3 HIS 47 -5.413 6.640 -0.665 394 HD1 HIS 47 HD1 HIS 47 -6.497 8.145 1.462 395 HD2 HIS 47 HD2 HIS 47 -3.952 10.062 -1.208 396 HE1 HIS 47 HE1 HIS 47 -7.027 10.582 1.661 397 HE2 HIS 47 HE2 HIS 47 -5.584 11.701 -0.060 398 H THR 48 H THR 48 -5.471 4.647 0.959 399 HA THR 48 HA THR 48 -6.835 5.508 3.300 400 HB THR 48 HB THR 48 -6.779 2.711 2.078 401 HG1 THR 48 HG1 THR 48 -7.946 3.601 0.565 402 HG21 THR 48 HG21 THR 48 -7.683 2.666 4.376 403 HG22 THR 48 HG22 THR 48 -8.962 2.378 3.198 404 HG23 THR 48 HG23 THR 48 -8.814 3.960 3.964 405 H MET 49 H MET 49 -4.247 3.062 2.765 406 HA MET 49 HA MET 49 -3.917 2.139 5.412 407 HB2 MET 49 HB2 MET 49 -1.798 2.468 3.240 408 HB3 MET 49 HB3 MET 49 -1.582 1.525 4.712 409 HG2 MET 49 HG2 MET 49 -3.353 0.007 4.014 410 HG3 MET 49 HG3 MET 49 -3.631 0.976 2.569 411 HE1 MET 49 HE1 MET 49 -3.474 -1.125 1.106 412 HE2 MET 49 HE2 MET 49 -3.086 -2.192 2.462 413 HE3 MET 49 HE3 MET 49 -2.069 -2.195 1.021 414 H LYS 50 H LYS 50 -2.508 4.921 3.766 415 HA LYS 50 HA LYS 50 -0.645 5.769 5.699 416 HB2 LYS 50 HB2 LYS 50 -0.652 6.510 3.334 417 HB3 LYS 50 HB3 LYS 50 -2.156 7.375 3.595 418 HG2 LYS 50 HG2 LYS 50 -1.000 8.905 5.168 419 HG3 LYS 50 HG3 LYS 50 0.514 8.038 4.890 420 HD2 LYS 50 HD2 LYS 50 0.535 8.719 2.547 421 HD3 LYS 50 HD3 LYS 50 -1.073 9.432 2.695 422 HE2 LYS 50 HE2 LYS 50 1.424 10.414 4.122 423 HE3 LYS 50 HE3 LYS 50 0.708 11.148 2.688 424 HZ1 LYS 50 HZ1 LYS 50 0.026 12.359 4.603 425 HZ2 LYS 50 HZ2 LYS 50 -0.507 10.964 5.389 426 HZ3 LYS 50 HZ3 LYS 50 -1.326 11.525 4.022 427 H GLU 51 H GLU 51 -3.952 7.002 5.012 428 HA GLU 51 HA GLU 51 -4.063 8.783 7.225 429 HB2 GLU 51 HB2 GLU 51 -6.421 9.097 6.690 430 HB3 GLU 51 HB3 GLU 51 -5.472 9.059 5.208 431 HG2 GLU 51 HG2 GLU 51 -6.160 6.660 4.910 432 HG3 GLU 51 HG3 GLU 51 -7.225 6.841 6.300 433 H ILE 52 H ILE 52 -4.972 5.373 6.923 434 HA ILE 52 HA ILE 52 -6.332 5.001 9.366 435 HB ILE 52 HB ILE 52 -4.720 3.111 7.618 436 HG12 ILE 52 HG12 ILE 52 -7.689 3.070 8.342 437 HG13 ILE 52 HG13 ILE 52 -7.039 3.871 6.919 438 HG21 ILE 52 HG21 ILE 52 -4.324 2.236 9.872 439 HG22 ILE 52 HG22 ILE 52 -5.426 1.167 9.006 440 HG23 ILE 52 HG23 ILE 52 -6.055 2.278 10.223 441 HD11 ILE 52 HD11 ILE 52 -8.013 1.697 6.406 442 HD12 ILE 52 HD12 ILE 52 -6.859 0.913 7.483 443 HD13 ILE 52 HD13 ILE 52 -6.290 1.741 6.030 444 H THR 53 H THR 53 -2.830 4.447 8.673 445 HA THR 53 HA THR 53 -2.186 3.920 11.399 446 HB THR 53 HB THR 53 -0.742 2.997 9.687 447 HG1 THR 53 HG1 THR 53 0.704 4.898 11.161 448 HG21 THR 53 HG21 THR 53 0.831 4.349 8.373 449 HG22 THR 53 HG22 THR 53 0.119 5.824 9.028 450 HG23 THR 53 HG23 THR 53 -0.835 4.778 7.974 451 H GLU 54 H GLU 54 -2.320 6.911 9.542 452 HA GLU 54 HA GLU 54 -0.926 8.563 11.425 453 HB2 GLU 54 HB2 GLU 54 -2.851 9.256 9.184 454 HB3 GLU 54 HB3 GLU 54 -2.058 10.479 10.170 455 HG2 GLU 54 HG2 GLU 54 0.130 9.696 9.414 456 HG3 GLU 54 HG3 GLU 54 -0.626 8.425 8.461 457 H THR 55 H THR 55 -4.394 7.678 11.079 458 HA THR 55 HA THR 55 -5.173 9.372 13.319 459 HB THR 55 HB THR 55 -6.829 8.903 11.512 460 HG1 THR 55 HG1 THR 55 -7.432 8.240 14.211 461 HG21 THR 55 HG21 THR 55 -6.377 6.504 11.087 462 HG22 THR 55 HG22 THR 55 -8.078 6.781 11.460 463 HG23 THR 55 HG23 THR 55 -7.009 6.101 12.687 464 H MET 56 H MET 56 -4.023 6.105 12.938 465 HA MET 56 HA MET 56 -4.595 5.260 15.661 466 HB2 MET 56 HB2 MET 56 -2.759 4.105 13.511 467 HB3 MET 56 HB3 MET 56 -3.014 3.350 15.081 468 HG2 MET 56 HG2 MET 56 -5.327 2.917 14.593 469 HG3 MET 56 HG3 MET 56 -5.276 3.921 13.146 470 HE1 MET 56 HE1 MET 56 -3.282 -0.248 13.480 471 HE2 MET 56 HE2 MET 56 -4.267 0.472 14.753 472 HE3 MET 56 HE3 MET 56 -2.673 1.134 14.391 473 H GLY 57 H GLY 57 -2.264 7.307 14.210 474 HA2 GLY 57 HA2 GLY 57 -0.950 8.825 15.433 475 HA3 GLY 57 HA3 GLY 57 -0.989 7.755 16.818 476 H PHE 58 H PHE 58 -0.188 6.015 14.062 477 HA PHE 58 HA PHE 58 2.662 5.903 14.760 478 HB2 PHE 58 HB2 PHE 58 0.831 4.147 13.080 479 HB3 PHE 58 HB3 PHE 58 2.553 3.855 13.200 480 HD1 PHE 58 HD2 PHE 58 3.533 3.031 15.348 481 HD2 PHE 58 HD1 PHE 58 -0.679 3.669 14.946 482 HE1 PHE 58 HE2 PHE 58 3.133 1.748 17.415 483 HE2 PHE 58 HE1 PHE 58 -1.067 2.388 17.013 484 HZ PHE 58 HZ PHE 58 0.837 1.428 18.250 485 H SER 59 H SER 59 3.134 8.043 13.799 486 HA SER 59 HA SER 59 2.917 8.537 10.980 487 HB2 SER 59 HB2 SER 59 4.502 10.414 11.382 488 HB3 SER 59 HB3 SER 59 3.214 10.389 12.582 489 HG SER 59 HG SER 59 5.896 10.150 12.921 490 H SER 60 H SER 60 5.219 6.816 12.937 491 HA SER 60 HA SER 60 7.448 6.592 11.251 492 HB2 SER 60 HB2 SER 60 6.344 4.482 13.161 493 HB3 SER 60 HB3 SER 60 7.999 4.569 12.554 494 HG SER 60 HG SER 60 7.948 5.502 14.577 495 H VAL 61 H VAL 61 4.500 4.568 11.401 496 HA VAL 61 HA VAL 61 5.261 2.755 9.306 497 HB VAL 61 HB VAL 61 2.451 3.336 10.349 498 HG11 VAL 61 HG11 VAL 61 3.502 0.888 8.869 499 HG12 VAL 61 HG12 VAL 61 2.404 2.108 8.222 500 HG13 VAL 61 HG13 VAL 61 1.876 1.063 9.540 501 HG21 VAL 61 HG21 VAL 61 3.933 2.688 12.213 502 HG22 VAL 61 HG22 VAL 61 4.403 1.222 11.349 503 HG23 VAL 61 HG23 VAL 61 2.733 1.435 11.887 504 H ALA 62 H ALA 62 3.300 5.721 9.468 505 HA ALA 62 HA ALA 62 2.259 5.822 6.871 506 HB1 ALA 62 HB1 ALA 62 1.523 7.343 8.641 507 HB2 ALA 62 HB2 ALA 62 2.043 8.258 7.220 508 HB3 ALA 62 HB3 ALA 62 3.097 8.154 8.634 509 H LYS 63 H LYS 63 5.462 6.837 8.051 510 HA LYS 63 HA LYS 63 6.531 8.065 5.761 511 HB2 LYS 63 HB2 LYS 63 7.898 6.400 7.915 512 HB3 LYS 63 HB3 LYS 63 8.789 7.297 6.688 513 HG2 LYS 63 HG2 LYS 63 7.923 9.408 7.532 514 HG3 LYS 63 HG3 LYS 63 6.881 8.564 8.677 515 HD2 LYS 63 HD2 LYS 63 8.853 9.448 9.835 516 HD3 LYS 63 HD3 LYS 63 8.880 7.683 9.855 517 HE2 LYS 63 HE2 LYS 63 11.119 8.586 9.396 518 HE3 LYS 63 HE3 LYS 63 10.522 7.688 8.003 519 HZ1 LYS 63 HZ1 LYS 63 10.428 10.646 8.276 520 HZ2 LYS 63 HZ2 LYS 63 9.987 9.747 6.912 521 HZ3 LYS 63 HZ3 LYS 63 11.602 9.789 7.409 522 H VAL 64 H VAL 64 6.264 4.628 6.557 523 HA VAL 64 HA VAL 64 7.846 3.619 4.398 524 HB VAL 64 HB VAL 64 5.662 2.170 5.969 525 HG11 VAL 64 HG11 VAL 64 7.966 1.025 4.334 526 HG12 VAL 64 HG12 VAL 64 6.253 0.953 3.916 527 HG13 VAL 64 HG13 VAL 64 6.849 0.083 5.328 528 HG21 VAL 64 HG21 VAL 64 7.482 1.325 7.429 529 HG22 VAL 64 HG22 VAL 64 7.364 3.082 7.501 530 HG23 VAL 64 HG23 VAL 64 8.650 2.324 6.560 531 H LEU 65 H LEU 65 4.298 3.938 4.860 532 HA LEU 65 HA LEU 65 3.532 3.008 2.266 533 HB2 LEU 65 HB2 LEU 65 2.052 4.625 4.369 534 HB3 LEU 65 HB3 LEU 65 1.306 4.228 2.834 535 HG LEU 65 HG LEU 65 0.545 2.691 4.571 536 HD11 LEU 65 HD11 LEU 65 1.021 0.548 3.471 537 HD12 LEU 65 HD12 LEU 65 2.365 1.277 2.588 538 HD13 LEU 65 HD13 LEU 65 0.709 1.815 2.287 539 HD21 LEU 65 HD21 LEU 65 2.084 1.086 5.659 540 HD22 LEU 65 HD22 LEU 65 2.419 2.761 6.097 541 HD23 LEU 65 HD23 LEU 65 3.457 1.937 4.930 542 H HIS 66 H HIS 66 4.482 6.126 3.477 543 HA HIS 66 HA HIS 66 3.484 7.813 1.446 544 HB2 HIS 66 HB2 HIS 66 4.280 8.545 3.703 545 HB3 HIS 66 HB3 HIS 66 5.933 8.231 3.209 546 HD1 HIS 66 HD1 HIS 66 7.005 9.935 1.560 547 HD2 HIS 66 HD2 HIS 66 3.142 10.912 2.722 548 HE1 HIS 66 HE1 HIS 66 6.661 12.294 0.804 549 HE2 HIS 66 HE2 HIS 66 4.264 12.794 1.350 550 H THR 67 H THR 67 6.301 5.692 1.556 551 HA THR 67 HA THR 67 7.732 6.919 -0.644 552 HB THR 67 HB THR 67 9.191 4.974 -0.709 553 HG1 THR 67 HG1 THR 67 7.906 3.563 1.315 554 HG21 THR 67 HG21 THR 67 8.502 5.636 2.173 555 HG22 THR 67 HG22 THR 67 9.609 6.540 1.138 556 HG23 THR 67 HG23 THR 67 10.002 4.889 1.616 557 H ILE 68 H ILE 68 5.373 4.262 -0.380 558 HA ILE 68 HA ILE 68 5.396 3.454 -3.109 559 HB ILE 68 HB ILE 68 3.105 3.239 -1.089 560 HG12 ILE 68 HG12 ILE 68 3.795 0.695 -1.231 561 HG13 ILE 68 HG13 ILE 68 5.318 1.295 -1.875 562 HG21 ILE 68 HG21 ILE 68 2.084 1.563 -2.604 563 HG22 ILE 68 HG22 ILE 68 3.329 1.897 -3.810 564 HG23 ILE 68 HG23 ILE 68 2.178 3.156 -3.355 565 HD11 ILE 68 HD11 ILE 68 5.691 2.533 0.197 566 HD12 ILE 68 HD12 ILE 68 5.443 0.811 0.491 567 HD13 ILE 68 HD13 ILE 68 4.142 1.951 0.818 568 H MET 69 H MET 69 3.571 5.963 -1.362 569 HA MET 69 HA MET 69 1.724 6.740 -3.340 570 HB2 MET 69 HB2 MET 69 3.062 8.503 -1.238 571 HB3 MET 69 HB3 MET 69 1.590 8.910 -2.117 572 HG2 MET 69 HG2 MET 69 1.750 6.429 -0.449 573 HG3 MET 69 HG3 MET 69 1.393 7.986 0.283 574 HE1 MET 69 HE1 MET 69 -0.857 9.248 0.039 575 HE2 MET 69 HE2 MET 69 -2.059 8.893 -1.201 576 HE3 MET 69 HE3 MET 69 -0.471 9.501 -1.665 577 H ASN 70 H ASN 70 4.911 8.204 -2.606 578 HA ASN 70 HA ASN 70 5.027 10.092 -4.699 579 HB2 ASN 70 HB2 ASN 70 6.527 9.795 -2.578 580 HB3 ASN 70 HB3 ASN 70 7.465 8.667 -3.549 581 HD21 ASN 70 HD21 ASN 70 7.077 10.467 -6.024 582 HD22 ASN 70 HD22 ASN 70 8.161 11.768 -5.744 583 H LEU 71 H LEU 71 6.021 6.743 -4.506 584 HA LEU 71 HA LEU 71 7.466 6.398 -6.873 585 HB2 LEU 71 HB2 LEU 71 7.227 4.922 -4.784 586 HB3 LEU 71 HB3 LEU 71 5.730 4.327 -5.467 587 HG LEU 71 HG LEU 71 8.418 4.032 -6.838 588 HD11 LEU 71 HD11 LEU 71 8.545 2.906 -4.666 589 HD12 LEU 71 HD12 LEU 71 8.494 1.720 -5.966 590 HD13 LEU 71 HD13 LEU 71 7.047 2.032 -5.001 591 HD21 LEU 71 HD21 LEU 71 7.283 2.177 -8.059 592 HD22 LEU 71 HD22 LEU 71 6.559 3.752 -8.372 593 HD23 LEU 71 HD23 LEU 71 5.762 2.623 -7.276 594 H VAL 72 H VAL 72 4.013 5.771 -6.201 595 HA VAL 72 HA VAL 72 3.324 4.984 -8.860 596 HB VAL 72 HB VAL 72 1.490 5.817 -6.564 597 HG11 VAL 72 HG11 VAL 72 0.850 4.304 -9.130 598 HG12 VAL 72 HG12 VAL 72 0.313 5.935 -8.719 599 HG13 VAL 72 HG13 VAL 72 -0.274 4.559 -7.788 600 HG21 VAL 72 HG21 VAL 72 2.365 3.023 -7.424 601 HG22 VAL 72 HG22 VAL 72 1.220 3.397 -6.133 602 HG23 VAL 72 HG23 VAL 72 2.909 3.870 -5.974 603 H ASP 73 H ASP 73 3.085 8.047 -7.059 604 HA ASP 73 HA ASP 73 1.680 9.694 -8.807 605 HB2 ASP 73 HB2 ASP 73 3.954 10.254 -6.880 606 HB3 ASP 73 HB3 ASP 73 3.331 11.548 -7.875 607 H LYS 74 H LYS 74 5.107 8.765 -8.937 608 HA LYS 74 HA LYS 74 5.785 10.477 -11.141 609 HB2 LYS 74 HB2 LYS 74 7.230 8.205 -9.761 610 HB3 LYS 74 HB3 LYS 74 7.896 8.970 -11.200 611 HG2 LYS 74 HG2 LYS 74 7.718 11.193 -9.961 612 HG3 LYS 74 HG3 LYS 74 7.374 10.249 -8.504 613 HD2 LYS 74 HD2 LYS 74 9.551 9.112 -8.714 614 HD3 LYS 74 HD3 LYS 74 9.877 9.985 -10.213 615 HE2 LYS 74 HE2 LYS 74 9.799 12.133 -8.924 616 HE3 LYS 74 HE3 LYS 74 9.605 11.198 -7.439 617 HZ1 LYS 74 HZ1 LYS 74 11.918 11.075 -9.288 618 HZ2 LYS 74 HZ2 LYS 74 11.745 10.158 -7.881 619 HZ3 LYS 74 HZ3 LYS 74 11.892 11.838 -7.782 620 H MET 75 H MET 75 5.130 6.968 -10.914 621 HA MET 75 HA MET 75 5.665 6.408 -13.665 622 HB2 MET 75 HB2 MET 75 4.098 4.808 -11.619 623 HB3 MET 75 HB3 MET 75 4.614 4.198 -13.187 624 HG2 MET 75 HG2 MET 75 6.999 4.643 -12.494 625 HG3 MET 75 HG3 MET 75 6.394 5.028 -10.880 626 HE1 MET 75 HE1 MET 75 4.713 3.274 -9.627 627 HE2 MET 75 HE2 MET 75 4.683 1.549 -9.991 628 HE3 MET 75 HE3 MET 75 3.886 2.687 -11.076 629 H LEU 76 H LEU 76 2.773 7.345 -11.941 630 HA LEU 76 HA LEU 76 0.656 6.962 -13.684 631 HB2 LEU 76 HB2 LEU 76 0.616 7.961 -11.370 632 HB3 LEU 76 HB3 LEU 76 1.261 9.455 -12.036 633 HG LEU 76 HG LEU 76 -0.816 9.798 -13.336 634 HD11 LEU 76 HD11 LEU 76 -2.796 8.365 -12.981 635 HD12 LEU 76 HD12 LEU 76 -1.816 7.241 -12.036 636 HD13 LEU 76 HD13 LEU 76 -1.478 7.482 -13.752 637 HD21 LEU 76 HD21 LEU 76 -0.651 10.746 -11.063 638 HD22 LEU 76 HD22 LEU 76 -1.354 9.271 -10.388 639 HD23 LEU 76 HD23 LEU 76 -2.314 10.303 -11.452 640 H ASN 77 H ASN 77 3.198 9.450 -13.873 641 HA ASN 77 HA ASN 77 2.240 10.278 -16.548 642 HB2 ASN 77 HB2 ASN 77 4.124 12.131 -16.177 643 HB3 ASN 77 HB3 ASN 77 2.527 12.305 -15.483 644 HD21 ASN 77 HD21 ASN 77 5.860 11.501 -14.745 645 HD22 ASN 77 HD22 ASN 77 5.748 11.814 -13.060 646 H SER 78 H SER 78 3.272 9.672 -18.300 647 HA SER 78 HA SER 78 5.223 7.610 -18.280 648 HB2 SER 78 HB2 SER 78 3.454 7.725 -19.968 649 HB3 SER 78 HB3 SER 78 4.089 9.252 -20.577 650 HG SER 78 HG SER 78 4.664 6.976 -21.548 651 H GLU 79 H GLU 79 5.789 10.914 -17.949 652 HA GLU 79 HA GLU 79 8.167 11.318 -19.478 653 HB2 GLU 79 HB2 GLU 79 8.505 13.302 -18.074 654 HB3 GLU 79 HB3 GLU 79 6.798 13.165 -18.474 655 HG2 GLU 79 HG2 GLU 79 6.291 12.272 -16.279 656 HG3 GLU 79 HG3 GLU 79 7.998 12.273 -15.851 657 H ILE 80 H ILE 80 7.480 9.855 -16.408 658 HA ILE 80 HA ILE 80 10.285 9.412 -15.642 659 HB ILE 80 HB ILE 80 7.668 8.659 -14.253 660 HG12 ILE 80 HG12 ILE 80 8.147 11.172 -14.557 661 HG13 ILE 80 HG13 ILE 80 7.820 10.641 -12.934 662 HG21 ILE 80 HG21 ILE 80 9.046 8.333 -12.211 663 HG22 ILE 80 HG22 ILE 80 10.508 8.586 -13.167 664 HG23 ILE 80 HG23 ILE 80 9.465 7.201 -13.497 665 HD11 ILE 80 HD11 ILE 80 9.619 12.288 -13.053 666 HD12 ILE 80 HD12 ILE 80 10.564 11.199 -14.067 667 HD13 ILE 80 HD13 ILE 80 10.196 10.759 -12.395 668 H LYS 81 H LYS 81 7.323 7.661 -16.499 669 HA LYS 81 HA LYS 81 6.831 5.714 -17.474 670 HB2 LYS 81 HB2 LYS 81 8.786 6.217 -18.980 671 HB3 LYS 81 HB3 LYS 81 9.806 5.252 -17.920 672 HG2 LYS 81 HG2 LYS 81 8.426 3.246 -18.437 673 HG3 LYS 81 HG3 LYS 81 7.426 4.228 -19.514 674 HD2 LYS 81 HD2 LYS 81 9.406 4.678 -20.936 675 HD3 LYS 81 HD3 LYS 81 10.403 3.695 -19.858 676 HE2 LYS 81 HE2 LYS 81 9.052 1.707 -20.419 677 HE3 LYS 81 HE3 LYS 81 8.038 2.688 -21.478 678 HZ1 LYS 81 HZ1 LYS 81 9.705 1.472 -22.719 679 HZ2 LYS 81 HZ2 LYS 81 10.943 2.205 -21.830 680 HZ3 LYS 81 HZ3 LYS 81 9.970 3.138 -22.847 681 H ILE 82 H ILE 82 6.814 3.363 -17.111 682 HA ILE 82 HA ILE 82 6.997 2.900 -14.230 683 HB ILE 82 HB ILE 82 5.531 1.198 -16.308 684 HG12 ILE 82 HG12 ILE 82 3.420 2.353 -15.244 685 HG13 ILE 82 HG13 ILE 82 4.541 3.605 -14.733 686 HG21 ILE 82 HG21 ILE 82 4.266 0.309 -14.394 687 HG22 ILE 82 HG22 ILE 82 5.228 1.293 -13.288 688 HG23 ILE 82 HG23 ILE 82 5.993 0.004 -14.219 689 HD11 ILE 82 HD11 ILE 82 4.016 2.762 -17.576 690 HD12 ILE 82 HD12 ILE 82 5.104 4.056 -17.061 691 HD13 ILE 82 HD13 ILE 82 3.370 4.192 -16.773 692 H THR 83 H THR 83 9.039 2.251 -13.790 693 HA THR 83 HA THR 83 10.447 0.277 -15.345 694 HB THR 83 HB THR 83 11.128 1.483 -12.624 695 HG1 THR 83 HG1 THR 83 11.973 2.146 -15.267 696 HG21 THR 83 HG21 THR 83 12.935 -0.093 -14.503 697 HG22 THR 83 HG22 THR 83 12.335 -0.663 -12.944 698 HG23 THR 83 HG23 THR 83 13.442 0.708 -13.016 699 H SER 84 H SER 84 10.468 -1.938 -15.006 700 HA SER 84 HA SER 84 8.468 -3.190 -13.448 701 HB2 SER 84 HB2 SER 84 9.397 -4.216 -15.493 702 HB3 SER 84 HB3 SER 84 10.951 -4.446 -14.690 703 HG SER 84 HG SER 84 9.542 -6.328 -14.709 704 H ASP 85 H ASP 85 11.942 -2.773 -12.807 705 HA ASP 85 HA ASP 85 12.075 -4.244 -10.361 706 HB2 ASP 85 HB2 ASP 85 13.833 -1.919 -11.229 707 HB3 ASP 85 HB3 ASP 85 14.223 -3.134 -10.017 708 H LEU 86 H LEU 86 11.158 -0.942 -11.117 709 HA LEU 86 HA LEU 86 11.075 -0.010 -8.400 710 HB2 LEU 86 HB2 LEU 86 11.357 1.457 -10.462 711 HB3 LEU 86 HB3 LEU 86 9.657 1.180 -10.804 712 HG LEU 86 HG LEU 86 9.201 2.137 -8.449 713 HD11 LEU 86 HD11 LEU 86 10.869 3.695 -7.536 714 HD12 LEU 86 HD12 LEU 86 12.034 3.176 -8.756 715 HD13 LEU 86 HD13 LEU 86 11.457 2.033 -7.540 716 HD21 LEU 86 HD21 LEU 86 10.250 3.963 -10.643 717 HD22 LEU 86 HD22 LEU 86 9.236 4.471 -9.289 718 HD23 LEU 86 HD23 LEU 86 8.605 3.334 -10.480 719 H ILE 87 H ILE 87 8.669 -1.359 -10.664 720 HA ILE 87 HA ILE 87 6.372 -1.307 -9.046 721 HB ILE 87 HB ILE 87 7.237 -3.576 -10.923 722 HG12 ILE 87 HG12 ILE 87 5.505 -1.148 -11.586 723 HG13 ILE 87 HG13 ILE 87 7.161 -1.403 -12.126 724 HG21 ILE 87 HG21 ILE 87 4.437 -2.889 -9.953 725 HG22 ILE 87 HG22 ILE 87 5.399 -4.277 -9.443 726 HG23 ILE 87 HG23 ILE 87 4.848 -4.156 -11.113 727 HD11 ILE 87 HD11 ILE 87 6.416 -3.396 -13.394 728 HD12 ILE 87 HD12 ILE 87 5.620 -1.913 -13.908 729 HD13 ILE 87 HD13 ILE 87 4.751 -3.063 -12.895 730 H ASP 88 H ASP 88 9.227 -3.369 -9.060 731 HA ASP 88 HA ASP 88 8.356 -5.368 -7.204 732 HB2 ASP 88 HB2 ASP 88 10.202 -5.660 -8.883 733 HB3 ASP 88 HB3 ASP 88 11.185 -4.532 -7.971 734 H LYS 89 H LYS 89 9.875 -2.183 -6.884 735 HA LYS 89 HA LYS 89 10.565 -2.335 -4.125 736 HB2 LYS 89 HB2 LYS 89 11.428 -0.573 -5.671 737 HB3 LYS 89 HB3 LYS 89 9.819 0.136 -5.744 738 HG2 LYS 89 HG2 LYS 89 9.913 0.631 -3.322 739 HG3 LYS 89 HG3 LYS 89 11.516 -0.107 -3.229 740 HD2 LYS 89 HD2 LYS 89 12.412 1.627 -4.742 741 HD3 LYS 89 HD3 LYS 89 10.806 2.350 -4.883 742 HE2 LYS 89 HE2 LYS 89 10.826 2.864 -2.467 743 HE3 LYS 89 HE3 LYS 89 12.425 2.133 -2.319 744 HZ1 LYS 89 HZ1 LYS 89 13.301 3.815 -3.799 745 HZ2 LYS 89 HZ2 LYS 89 12.533 4.544 -2.478 746 HZ3 LYS 89 HZ3 LYS 89 11.766 4.501 -3.985 747 H VAL 90 H VAL 90 7.566 -1.381 -5.819 748 HA VAL 90 HA VAL 90 6.015 -0.570 -3.584 749 HB VAL 90 HB VAL 90 4.866 -2.035 -6.018 750 HG11 VAL 90 HG11 VAL 90 2.845 -0.670 -5.592 751 HG12 VAL 90 HG12 VAL 90 3.631 0.070 -4.196 752 HG13 VAL 90 HG13 VAL 90 3.260 -1.653 -4.187 753 HG21 VAL 90 HG21 VAL 90 5.491 0.931 -5.821 754 HG22 VAL 90 HG22 VAL 90 4.637 0.138 -7.147 755 HG23 VAL 90 HG23 VAL 90 6.331 -0.242 -6.838 756 H LYS 91 H LYS 91 6.287 -3.738 -5.196 757 HA LYS 91 HA LYS 91 4.719 -5.343 -3.558 758 HB2 LYS 91 HB2 LYS 91 7.071 -5.857 -5.362 759 HB3 LYS 91 HB3 LYS 91 6.631 -7.149 -4.261 760 HG2 LYS 91 HG2 LYS 91 4.769 -5.900 -6.297 761 HG3 LYS 91 HG3 LYS 91 5.644 -7.420 -6.512 762 HD2 LYS 91 HD2 LYS 91 4.436 -8.238 -4.380 763 HD3 LYS 91 HD3 LYS 91 3.413 -6.807 -4.532 764 HE2 LYS 91 HE2 LYS 91 2.328 -8.782 -5.517 765 HE3 LYS 91 HE3 LYS 91 2.672 -7.579 -6.762 766 HZ1 LYS 91 HZ1 LYS 91 4.323 -9.981 -6.188 767 HZ2 LYS 91 HZ2 LYS 91 4.624 -8.842 -7.402 768 HZ3 LYS 91 HZ3 LYS 91 3.247 -9.813 -7.482 769 H LYS 92 H LYS 92 8.181 -4.531 -3.144 770 HA LYS 92 HA LYS 92 8.611 -6.338 -0.977 771 HB2 LYS 92 HB2 LYS 92 10.361 -5.611 -2.635 772 HB3 LYS 92 HB3 LYS 92 10.373 -4.033 -1.862 773 HG2 LYS 92 HG2 LYS 92 12.241 -5.325 -1.027 774 HG3 LYS 92 HG3 LYS 92 11.049 -5.106 0.265 775 HD2 LYS 92 HD2 LYS 92 10.182 -7.392 -0.123 776 HD3 LYS 92 HD3 LYS 92 11.325 -7.611 -1.449 777 HE2 LYS 92 HE2 LYS 92 12.143 -8.753 0.528 778 HE3 LYS 92 HE3 LYS 92 13.198 -7.387 0.173 779 HZ1 LYS 92 HZ1 LYS 92 12.203 -6.143 1.921 780 HZ2 LYS 92 HZ2 LYS 92 12.641 -7.653 2.542 781 HZ3 LYS 92 HZ3 LYS 92 11.022 -7.322 2.185 782 H LYS 93 H LYS 93 8.152 -2.827 -1.143 783 HA LYS 93 HA LYS 93 8.429 -2.236 1.615 784 HB2 LYS 93 HB2 LYS 93 6.960 -0.740 -0.598 785 HB3 LYS 93 HB3 LYS 93 7.131 -0.111 1.034 786 HG2 LYS 93 HG2 LYS 93 9.406 -0.713 -0.881 787 HG3 LYS 93 HG3 LYS 93 8.777 0.887 -0.480 788 HD2 LYS 93 HD2 LYS 93 9.493 0.571 1.879 789 HD3 LYS 93 HD3 LYS 93 10.125 -1.028 1.473 790 HE2 LYS 93 HE2 LYS 93 11.725 0.051 -0.118 791 HE3 LYS 93 HE3 LYS 93 11.125 1.632 0.393 792 HZ1 LYS 93 HZ1 LYS 93 12.434 -0.378 2.143 793 HZ2 LYS 93 HZ2 LYS 93 11.862 1.132 2.638 794 HZ3 LYS 93 HZ3 LYS 93 13.149 1.034 1.548 795 H LEU 94 H LEU 94 5.591 -3.081 -0.356 796 HA LEU 94 HA LEU 94 3.673 -2.835 1.786 797 HB2 LEU 94 HB2 LEU 94 3.240 -2.537 -0.701 798 HB3 LEU 94 HB3 LEU 94 3.362 -4.271 -0.888 799 HG LEU 94 HG LEU 94 1.009 -3.250 -0.849 800 HD11 LEU 94 HD11 LEU 94 1.515 -5.466 1.143 801 HD12 LEU 94 HD12 LEU 94 1.324 -5.647 -0.602 802 HD13 LEU 94 HD13 LEU 94 -0.029 -5.079 0.372 803 HD21 LEU 94 HD21 LEU 94 1.519 -2.993 2.129 804 HD22 LEU 94 HD22 LEU 94 -0.019 -2.734 1.301 805 HD23 LEU 94 HD23 LEU 94 1.338 -1.658 0.985 806 H ASP 95 H ASP 95 5.689 -5.416 0.499 807 HA ASP 95 HA ASP 95 4.662 -7.695 1.793 808 HB2 ASP 95 HB2 ASP 95 6.755 -7.312 0.114 809 HB3 ASP 95 HB3 ASP 95 7.667 -7.281 1.602 810 H MET 96 H MET 96 7.002 -5.266 2.802 811 HA MET 96 HA MET 96 7.479 -6.087 5.463 812 HB2 MET 96 HB2 MET 96 8.990 -4.531 4.393 813 HB3 MET 96 HB3 MET 96 7.696 -3.390 4.064 814 HG2 MET 96 HG2 MET 96 7.481 -2.952 6.494 815 HG3 MET 96 HG3 MET 96 8.786 -4.090 6.807 816 HE1 MET 96 HE1 MET 96 8.710 -1.089 7.926 817 HE2 MET 96 HE2 MET 96 10.380 -0.597 7.650 818 HE3 MET 96 HE3 MET 96 10.031 -2.215 8.256 819 H VAL 97 H VAL 97 5.032 -3.770 4.148 820 HA VAL 97 HA VAL 97 3.977 -2.882 6.613 821 HB VAL 97 HB VAL 97 2.611 -3.076 3.890 822 HG11 VAL 97 HG11 VAL 97 1.671 -1.508 6.332 823 HG12 VAL 97 HG12 VAL 97 0.854 -2.895 5.610 824 HG13 VAL 97 HG13 VAL 97 0.981 -1.384 4.710 825 HG21 VAL 97 HG21 VAL 97 4.608 -1.657 3.905 826 HG22 VAL 97 HG22 VAL 97 3.993 -0.757 5.295 827 HG23 VAL 97 HG23 VAL 97 3.162 -0.660 3.734 828 H THR 98 H THR 98 3.044 -5.669 4.620 829 HA THR 98 HA THR 98 1.004 -6.767 6.233 830 HB THR 98 HB THR 98 3.050 -8.383 4.624 831 HG1 THR 98 HG1 THR 98 2.299 -7.142 3.044 832 HG21 THR 98 HG21 THR 98 1.516 -9.740 6.026 833 HG22 THR 98 HG22 THR 98 1.173 -9.965 4.311 834 HG23 THR 98 HG23 THR 98 0.128 -8.933 5.287 835 H ARG 99 H ARG 99 4.502 -7.293 6.188 836 HA ARG 99 HA ARG 99 4.817 -9.210 8.195 837 HB2 ARG 99 HB2 ARG 99 6.545 -8.539 6.509 838 HB3 ARG 99 HB3 ARG 99 6.765 -7.019 7.365 839 HG2 ARG 99 HG2 ARG 99 7.425 -8.458 9.405 840 HG3 ARG 99 HG3 ARG 99 7.517 -9.800 8.266 841 HD2 ARG 99 HD2 ARG 99 9.735 -8.866 8.587 842 HD3 ARG 99 HD3 ARG 99 9.195 -8.528 6.939 843 HE ARG 99 HE ARG 99 8.501 -6.344 8.558 844 HH11 ARG 99 HH11 ARG 99 11.383 -7.798 7.283 845 HH12 ARG 99 HH12 ARG 99 12.265 -6.313 7.351 846 HH21 ARG 99 HH21 ARG 99 9.644 -4.501 8.650 847 HH22 ARG 99 HH22 ARG 99 11.293 -4.468 8.116 848 H GLU 100 H GLU 100 4.535 -5.684 8.476 849 HA GLU 100 HA GLU 100 5.631 -5.346 11.058 850 HB2 GLU 100 HB2 GLU 100 3.582 -3.607 9.623 851 HB3 GLU 100 HB3 GLU 100 4.467 -3.123 11.055 852 HG2 GLU 100 HG2 GLU 100 5.510 -3.524 8.261 853 HG3 GLU 100 HG3 GLU 100 5.542 -2.067 9.240 854 H LEU 101 H LEU 101 2.264 -5.855 9.999 855 HA LEU 101 HA LEU 101 1.124 -5.756 12.631 856 HB2 LEU 101 HB2 LEU 101 -0.062 -5.314 10.415 857 HB3 LEU 101 HB3 LEU 101 -0.084 -7.044 10.154 858 HG LEU 101 HG LEU 101 -2.255 -6.030 10.984 859 HD11 LEU 101 HD11 LEU 101 -1.143 -8.167 12.815 860 HD12 LEU 101 HD12 LEU 101 -1.868 -8.437 11.231 861 HD13 LEU 101 HD13 LEU 101 -2.847 -7.794 12.546 862 HD21 LEU 101 HD21 LEU 101 -1.325 -4.377 12.538 863 HD22 LEU 101 HD22 LEU 101 -0.775 -5.671 13.606 864 HD23 LEU 101 HD23 LEU 101 -2.501 -5.419 13.334 865 H ASP 102 H ASP 102 2.138 -8.406 10.468 866 HA ASP 102 HA ASP 102 1.354 -10.557 12.165 867 HB2 ASP 102 HB2 ASP 102 3.373 -10.465 9.890 868 HB3 ASP 102 HB3 ASP 102 2.837 -11.953 10.669 869 H LYS 103 H LYS 103 4.211 -8.557 12.114 870 HA LYS 103 HA LYS 103 5.848 -10.163 13.867 871 HB2 LYS 103 HB2 LYS 103 6.789 -8.495 12.256 872 HB3 LYS 103 HB3 LYS 103 6.039 -7.196 13.170 873 HG2 LYS 103 HG2 LYS 103 8.398 -7.307 13.691 874 HG3 LYS 103 HG3 LYS 103 7.467 -7.764 15.121 875 HD2 LYS 103 HD2 LYS 103 7.921 -10.151 14.673 876 HD3 LYS 103 HD3 LYS 103 8.792 -9.720 13.198 877 HE2 LYS 103 HE2 LYS 103 10.349 -10.215 15.027 878 HE3 LYS 103 HE3 LYS 103 10.484 -8.528 14.532 879 HZ1 LYS 103 HZ1 LYS 103 8.990 -9.520 16.900 880 HZ2 LYS 103 HZ2 LYS 103 9.130 -7.902 16.429 881 HZ3 LYS 103 HZ3 LYS 103 10.499 -8.760 16.925 882 H LYS 104 H LYS 104 3.623 -7.419 14.234 883 HA LYS 104 HA LYS 104 3.800 -6.958 17.001 884 HB2 LYS 104 HB2 LYS 104 2.608 -5.448 15.489 885 HB3 LYS 104 HB3 LYS 104 1.418 -6.695 15.129 886 HG2 LYS 104 HG2 LYS 104 0.622 -6.628 17.463 887 HG3 LYS 104 HG3 LYS 104 1.833 -5.401 17.846 888 HD2 LYS 104 HD2 LYS 104 0.774 -3.826 16.305 889 HD3 LYS 104 HD3 LYS 104 -0.391 -5.054 15.799 890 HE2 LYS 104 HE2 LYS 104 -0.160 -3.913 18.608 891 HE3 LYS 104 HE3 LYS 104 -1.371 -3.450 17.412 892 HZ1 LYS 104 HZ1 LYS 104 -2.175 -5.746 17.413 893 HZ2 LYS 104 HZ2 LYS 104 -2.273 -5.045 18.949 894 HZ3 LYS 104 HZ3 LYS 104 -1.045 -6.155 18.607 895 H VAL 105 H VAL 105 1.884 -9.350 15.186 896 HA VAL 105 HA VAL 105 0.634 -10.609 17.434 897 HB VAL 105 HB VAL 105 1.279 -11.793 14.688 898 HG11 VAL 105 HG11 VAL 105 -0.538 -13.414 15.148 899 HG12 VAL 105 HG12 VAL 105 -0.732 -12.742 16.769 900 HG13 VAL 105 HG13 VAL 105 0.768 -13.559 16.325 901 HG21 VAL 105 HG21 VAL 105 -1.035 -11.193 14.059 902 HG22 VAL 105 HG22 VAL 105 -0.100 -9.760 14.483 903 HG23 VAL 105 HG23 VAL 105 -1.270 -10.418 15.627 904 H SER 106 H SER 106 3.188 -11.988 15.325 905 HA SER 106 HA SER 106 4.965 -12.570 17.559 906 HB2 SER 106 HB2 SER 106 3.893 -14.837 15.811 907 HB3 SER 106 HB3 SER 106 5.237 -14.993 16.940 908 HG SER 106 HG SER 106 3.291 -13.983 18.342 909 H GLY 107 H GLY 107 4.622 -13.732 14.184 910 HA2 GLY 107 HA2 GLY 107 5.899 -13.518 12.307 911 HA3 GLY 107 HA3 GLY 107 6.527 -12.027 12.982 912 H SER 108 H SER 108 8.498 -12.021 14.008 913 HA SER 108 HA SER 108 10.570 -12.542 14.682 914 HB2 SER 108 HB2 SER 108 9.476 -14.152 16.198 915 HB3 SER 108 HB3 SER 108 9.542 -15.397 14.951 916 HG SER 108 HG SER 108 11.369 -15.838 15.931 917 H TYR 109 H TYR 109 12.541 -14.024 14.226 918 HA TYR 109 HA TYR 109 12.713 -14.931 11.430 919 HB2 TYR 109 HB2 TYR 109 14.837 -13.517 11.144 920 HB3 TYR 109 HB3 TYR 109 13.323 -12.624 11.154 921 HD1 TYR 109 HD2 TYR 109 12.662 -11.344 13.286 922 HD2 TYR 109 HD1 TYR 109 16.579 -12.988 12.763 923 HE1 TYR 109 HE2 TYR 109 13.512 -9.909 15.092 924 HE2 TYR 109 HE1 TYR 109 17.418 -11.550 14.569 925 HH TYR 109 HH TYR 109 16.861 -9.490 15.697 926 H LEU 110 H LEU 110 12.940 -17.041 12.327 927 HA LEU 110 HA LEU 110 14.933 -17.672 14.306 928 HB2 LEU 110 HB2 LEU 110 12.688 -18.889 13.826 929 HB3 LEU 110 HB3 LEU 110 13.537 -19.705 12.529 930 HG LEU 110 HG LEU 110 14.402 -19.856 15.455 931 HD11 LEU 110 HD11 LEU 110 12.147 -20.788 15.248 932 HD12 LEU 110 HD12 LEU 110 13.320 -22.059 15.576 933 HD13 LEU 110 HD13 LEU 110 12.682 -21.849 13.942 934 HD21 LEU 110 HD21 LEU 110 16.214 -20.437 13.893 935 HD22 LEU 110 HD22 LEU 110 15.175 -21.622 13.098 936 HD23 LEU 110 HD23 LEU 110 15.674 -21.864 14.775 937 H VAL 111 H VAL 111 17.014 -17.438 13.774 938 HA VAL 111 HA VAL 111 18.055 -18.210 11.122 939 HB VAL 111 HB VAL 111 20.153 -17.039 11.832 940 HG11 VAL 111 HG11 VAL 111 19.255 -14.727 11.755 941 HG12 VAL 111 HG12 VAL 111 17.638 -15.343 12.110 942 HG13 VAL 111 HG13 VAL 111 18.437 -15.784 10.601 943 HG21 VAL 111 HG21 VAL 111 18.615 -16.326 14.372 944 HG22 VAL 111 HG22 VAL 111 20.180 -15.657 13.904 945 HG23 VAL 111 HG23 VAL 111 20.035 -17.374 14.275 946 HA PRO 112 HA PRO 112 19.863 -21.969 12.940 947 HB2 PRO 112 HB2 PRO 112 21.461 -22.780 10.901 948 HB3 PRO 112 HB3 PRO 112 19.697 -22.806 10.764 949 HG2 PRO 112 HG2 PRO 112 21.648 -20.756 9.719 950 HG3 PRO 112 HG3 PRO 112 20.259 -21.496 8.896 951 HD2 PRO 112 HD2 PRO 112 20.172 -19.007 10.083 952 HD3 PRO 112 HD3 PRO 112 18.742 -20.044 9.889 953 H ARG 113 H ARG 113 21.588 -19.092 12.541 954 HA ARG 113 HA ARG 113 23.806 -20.062 14.209 955 HB2 ARG 113 HB2 ARG 113 25.456 -18.693 12.860 956 HB3 ARG 113 HB3 ARG 113 24.840 -20.129 12.057 957 HG2 ARG 113 HG2 ARG 113 23.306 -18.717 10.709 958 HG3 ARG 113 HG3 ARG 113 23.932 -17.278 11.518 959 HD2 ARG 113 HD2 ARG 113 26.214 -17.826 10.619 960 HD3 ARG 113 HD3 ARG 113 25.494 -19.173 9.726 961 HE ARG 113 HE ARG 113 24.438 -16.477 9.262 962 HH11 ARG 113 HH11 ARG 113 26.247 -19.152 8.002 963 HH12 ARG 113 HH12 ARG 113 26.321 -18.476 6.413 964 HH21 ARG 113 HH21 ARG 113 24.567 -15.650 7.217 965 HH22 ARG 113 HH22 ARG 113 25.399 -16.534 5.985 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -11.222 15.140 18.491 2 H2 MET 1 H2 MET 1 -10.844 14.006 19.687 3 H3 MET 1 H3 MET 1 -12.396 14.678 19.620 4 HA MET 1 HA MET 1 -12.855 13.617 17.555 5 HB2 MET 1 HB2 MET 1 -10.570 13.730 16.620 6 HB3 MET 1 HB3 MET 1 -10.011 12.538 17.784 7 HG2 MET 1 HG2 MET 1 -11.334 10.808 16.733 8 HG3 MET 1 HG3 MET 1 -12.095 11.979 15.657 9 HE1 MET 1 HE1 MET 1 -10.893 13.133 13.616 10 HE2 MET 1 HE2 MET 1 -9.178 12.951 13.248 11 HE3 MET 1 HE3 MET 1 -9.680 13.819 14.699 12 H GLY 2 H GLY 2 -14.126 11.810 17.792 13 HA2 GLY 2 HA2 GLY 2 -14.128 10.345 20.284 14 HA3 GLY 2 HA3 GLY 2 -15.238 10.147 18.934 15 H SER 3 H SER 3 -11.864 9.496 19.863 16 HA SER 3 HA SER 3 -11.531 7.375 17.918 17 HB2 SER 3 HB2 SER 3 -9.654 8.320 20.127 18 HB3 SER 3 HB3 SER 3 -9.231 7.203 18.825 19 HG SER 3 HG SER 3 -8.972 8.835 17.546 20 H HIS 4 H HIS 4 -11.558 5.193 18.274 21 HA HIS 4 HA HIS 4 -11.957 4.145 21.021 22 HB2 HIS 4 HB2 HIS 4 -13.552 3.306 18.550 23 HB3 HIS 4 HB3 HIS 4 -13.665 2.550 20.136 24 HD1 HIS 4 HD1 HIS 4 -15.111 5.215 18.122 25 HD2 HIS 4 HD2 HIS 4 -14.759 4.387 22.177 26 HE1 HIS 4 HE1 HIS 4 -16.787 6.694 19.247 27 HE2 HIS 4 HE2 HIS 4 -16.474 6.269 21.704 28 H GLN 5 H GLN 5 -11.016 2.142 21.432 29 HA GLN 5 HA GLN 5 -8.835 1.296 19.794 30 HB2 GLN 5 HB2 GLN 5 -10.141 -0.120 22.151 31 HB3 GLN 5 HB3 GLN 5 -8.610 -0.587 21.410 32 HG2 GLN 5 HG2 GLN 5 -7.683 1.659 22.044 33 HG3 GLN 5 HG3 GLN 5 -9.193 1.997 22.896 34 HE21 GLN 5 HE21 GLN 5 -8.120 2.172 24.898 35 HE22 GLN 5 HE22 GLN 5 -7.494 0.794 25.730 36 H GLU 6 H GLU 6 -12.160 0.109 20.222 37 HA GLU 6 HA GLU 6 -12.008 -2.301 18.769 38 HB2 GLU 6 HB2 GLU 6 -14.347 -0.391 19.127 39 HB3 GLU 6 HB3 GLU 6 -14.493 -1.983 18.387 40 HG2 GLU 6 HG2 GLU 6 -13.614 -1.432 21.237 41 HG3 GLU 6 HG3 GLU 6 -15.215 -1.973 20.736 42 H TYR 7 H TYR 7 -12.520 1.037 17.613 43 HA TYR 7 HA TYR 7 -12.867 0.593 14.855 44 HB2 TYR 7 HB2 TYR 7 -13.126 2.842 15.767 45 HB3 TYR 7 HB3 TYR 7 -11.459 2.866 16.328 46 HD1 TYR 7 HD1 TYR 7 -13.622 3.110 13.312 47 HD2 TYR 7 HD2 TYR 7 -9.621 3.428 14.791 48 HE1 TYR 7 HE1 TYR 7 -12.911 4.137 11.197 49 HE2 TYR 7 HE2 TYR 7 -8.918 4.458 12.677 50 HH TYR 7 HH TYR 7 -9.684 4.486 10.295 51 H ILE 8 H ILE 8 -9.847 1.118 16.689 52 HA ILE 8 HA ILE 8 -7.967 0.729 14.651 53 HB ILE 8 HB ILE 8 -7.688 0.176 17.642 54 HG12 ILE 8 HG12 ILE 8 -7.031 2.679 16.006 55 HG13 ILE 8 HG13 ILE 8 -8.367 2.511 17.137 56 HG21 ILE 8 HG21 ILE 8 -5.247 0.419 17.348 57 HG22 ILE 8 HG22 ILE 8 -5.463 0.570 15.605 58 HG23 ILE 8 HG23 ILE 8 -5.866 -0.944 16.414 59 HD11 ILE 8 HD11 ILE 8 -6.726 2.289 18.979 60 HD12 ILE 8 HD12 ILE 8 -6.604 3.818 18.113 61 HD13 ILE 8 HD13 ILE 8 -5.424 2.544 17.812 62 H LYS 9 H LYS 9 -9.578 -1.623 16.736 63 HA LYS 9 HA LYS 9 -8.076 -3.924 15.969 64 HB2 LYS 9 HB2 LYS 9 -10.778 -3.655 17.341 65 HB3 LYS 9 HB3 LYS 9 -9.925 -5.186 17.136 66 HG2 LYS 9 HG2 LYS 9 -8.100 -4.424 18.541 67 HG3 LYS 9 HG3 LYS 9 -8.784 -2.803 18.630 68 HD2 LYS 9 HD2 LYS 9 -9.224 -4.003 20.713 69 HD3 LYS 9 HD3 LYS 9 -10.744 -3.696 19.869 70 HE2 LYS 9 HE2 LYS 9 -10.686 -5.971 20.813 71 HE3 LYS 9 HE3 LYS 9 -10.767 -6.027 19.053 72 HZ1 LYS 9 HZ1 LYS 9 -9.169 -7.612 19.996 73 HZ2 LYS 9 HZ2 LYS 9 -8.270 -6.327 20.638 74 HZ3 LYS 9 HZ3 LYS 9 -8.426 -6.496 18.965 75 H LYS 10 H LYS 10 -11.091 -2.462 14.708 76 HA LYS 10 HA LYS 10 -11.695 -4.640 12.918 77 HB2 LYS 10 HB2 LYS 10 -12.625 -1.746 12.778 78 HB3 LYS 10 HB3 LYS 10 -13.226 -3.046 11.753 79 HG2 LYS 10 HG2 LYS 10 -13.947 -4.202 13.934 80 HG3 LYS 10 HG3 LYS 10 -13.640 -2.654 14.720 81 HD2 LYS 10 HD2 LYS 10 -15.728 -3.306 12.604 82 HD3 LYS 10 HD3 LYS 10 -15.988 -2.723 14.247 83 HE2 LYS 10 HE2 LYS 10 -16.401 -0.793 12.999 84 HE3 LYS 10 HE3 LYS 10 -14.693 -0.576 13.375 85 HZ1 LYS 10 HZ1 LYS 10 -15.792 -1.659 10.825 86 HZ2 LYS 10 HZ2 LYS 10 -14.149 -1.450 11.166 87 HZ3 LYS 10 HZ3 LYS 10 -15.165 -0.106 11.058 88 H VAL 11 H VAL 11 -10.205 -1.418 12.426 89 HA VAL 11 HA VAL 11 -9.625 -1.777 9.685 90 HB VAL 11 HB VAL 11 -8.200 0.209 9.787 91 HG11 VAL 11 HG11 VAL 11 -10.626 0.536 9.624 92 HG12 VAL 11 HG12 VAL 11 -9.887 1.845 10.546 93 HG13 VAL 11 HG13 VAL 11 -10.766 0.563 11.385 94 HG21 VAL 11 HG21 VAL 11 -7.809 1.435 11.908 95 HG22 VAL 11 HG22 VAL 11 -7.056 -0.158 11.929 96 HG23 VAL 11 HG23 VAL 11 -8.561 0.114 12.808 97 H THR 12 H THR 12 -7.929 -2.920 12.508 98 HA THR 12 HA THR 12 -5.472 -3.717 11.400 99 HB THR 12 HB THR 12 -7.258 -5.118 13.430 100 HG1 THR 12 HG1 THR 12 -5.981 -2.977 13.742 101 HG21 THR 12 HG21 THR 12 -5.306 -6.478 14.107 102 HG22 THR 12 HG22 THR 12 -4.376 -5.825 12.759 103 HG23 THR 12 HG23 THR 12 -5.786 -6.840 12.449 104 H ASP 13 H ASP 13 -8.620 -5.489 11.350 105 HA ASP 13 HA ASP 13 -7.710 -7.572 9.572 106 HB2 ASP 13 HB2 ASP 13 -10.537 -6.779 10.400 107 HB3 ASP 13 HB3 ASP 13 -10.122 -8.247 9.516 108 H GLU 14 H GLU 14 -9.466 -4.535 9.124 109 HA GLU 14 HA GLU 14 -10.175 -4.878 6.377 110 HB2 GLU 14 HB2 GLU 14 -9.921 -2.333 8.032 111 HB3 GLU 14 HB3 GLU 14 -10.692 -2.440 6.449 112 HG2 GLU 14 HG2 GLU 14 -12.379 -4.002 7.393 113 HG3 GLU 14 HG3 GLU 14 -11.616 -3.858 8.976 114 H LEU 15 H LEU 15 -7.338 -3.673 8.021 115 HA LEU 15 HA LEU 15 -5.779 -2.641 5.953 116 HB2 LEU 15 HB2 LEU 15 -5.056 -2.602 8.272 117 HB3 LEU 15 HB3 LEU 15 -5.057 -4.346 8.353 118 HG LEU 15 HG LEU 15 -3.196 -3.705 6.282 119 HD11 LEU 15 HD11 LEU 15 -2.702 -1.923 8.675 120 HD12 LEU 15 HD12 LEU 15 -3.089 -1.399 7.034 121 HD13 LEU 15 HD13 LEU 15 -1.571 -2.231 7.353 122 HD21 LEU 15 HD21 LEU 15 -2.642 -4.563 9.141 123 HD22 LEU 15 HD22 LEU 15 -1.528 -4.707 7.776 124 HD23 LEU 15 HD23 LEU 15 -3.033 -5.635 7.788 125 H LYS 16 H LYS 16 -6.274 -6.048 6.936 126 HA LYS 16 HA LYS 16 -4.543 -7.267 5.059 127 HB2 LYS 16 HB2 LYS 16 -6.858 -8.309 6.706 128 HB3 LYS 16 HB3 LYS 16 -6.167 -9.329 5.463 129 HG2 LYS 16 HG2 LYS 16 -5.229 -9.904 7.603 130 HG3 LYS 16 HG3 LYS 16 -3.979 -9.239 6.551 131 HD2 LYS 16 HD2 LYS 16 -4.169 -7.059 7.733 132 HD3 LYS 16 HD3 LYS 16 -5.402 -7.755 8.791 133 HE2 LYS 16 HE2 LYS 16 -3.161 -7.702 9.848 134 HE3 LYS 16 HE3 LYS 16 -3.783 -9.346 9.693 135 HZ1 LYS 16 HZ1 LYS 16 -1.427 -9.108 9.078 136 HZ2 LYS 16 HZ2 LYS 16 -1.868 -8.102 7.792 137 HZ3 LYS 16 HZ3 LYS 16 -2.374 -9.715 7.819 138 H GLU 17 H GLU 17 -8.013 -6.502 4.849 139 HA GLU 17 HA GLU 17 -8.606 -7.665 2.342 140 HB2 GLU 17 HB2 GLU 17 -9.754 -5.094 3.511 141 HB3 GLU 17 HB3 GLU 17 -10.465 -6.017 2.189 142 HG2 GLU 17 HG2 GLU 17 -10.809 -7.921 3.777 143 HG3 GLU 17 HG3 GLU 17 -10.203 -6.893 5.080 144 H LEU 18 H LEU 18 -7.446 -4.491 3.201 145 HA LEU 18 HA LEU 18 -7.481 -3.321 0.644 146 HB2 LEU 18 HB2 LEU 18 -7.212 -2.430 3.225 147 HB3 LEU 18 HB3 LEU 18 -5.546 -2.315 2.708 148 HG LEU 18 HG LEU 18 -6.060 -0.680 1.017 149 HD11 LEU 18 HD11 LEU 18 -8.993 -1.259 1.536 150 HD12 LEU 18 HD12 LEU 18 -8.068 -1.659 0.086 151 HD13 LEU 18 HD13 LEU 18 -8.369 0.027 0.492 152 HD21 LEU 18 HD21 LEU 18 -7.715 0.008 3.481 153 HD22 LEU 18 HD22 LEU 18 -7.048 1.149 2.309 154 HD23 LEU 18 HD23 LEU 18 -5.966 0.209 3.329 155 H ILE 19 H ILE 19 -4.782 -4.624 2.559 156 HA ILE 19 HA ILE 19 -2.701 -4.377 0.700 157 HB ILE 19 HB ILE 19 -3.127 -6.337 3.000 158 HG12 ILE 19 HG12 ILE 19 -1.296 -3.899 2.755 159 HG13 ILE 19 HG13 ILE 19 -2.848 -3.922 3.590 160 HG21 ILE 19 HG21 ILE 19 -0.718 -6.937 2.877 161 HG22 ILE 19 HG22 ILE 19 -0.577 -6.035 1.367 162 HG23 ILE 19 HG23 ILE 19 -1.606 -7.464 1.448 163 HD11 ILE 19 HD11 ILE 19 -1.958 -5.528 5.201 164 HD12 ILE 19 HD12 ILE 19 -1.001 -4.050 5.149 165 HD13 ILE 19 HD13 ILE 19 -0.399 -5.510 4.367 166 H GLN 20 H GLN 20 -4.973 -7.135 1.219 167 HA GLN 20 HA GLN 20 -3.639 -9.018 -0.401 168 HB2 GLN 20 HB2 GLN 20 -5.383 -9.644 1.243 169 HB3 GLN 20 HB3 GLN 20 -6.608 -8.839 0.270 170 HG2 GLN 20 HG2 GLN 20 -6.145 -10.490 -1.571 171 HG3 GLN 20 HG3 GLN 20 -5.050 -11.339 -0.482 172 HE21 GLN 20 HE21 GLN 20 -7.531 -12.253 -1.775 173 HE22 GLN 20 HE22 GLN 20 -8.556 -12.789 -0.494 174 H ASN 21 H ASN 21 -6.439 -6.900 -1.225 175 HA ASN 21 HA ASN 21 -6.710 -7.594 -3.931 176 HB2 ASN 21 HB2 ASN 21 -7.404 -5.057 -2.412 177 HB3 ASN 21 HB3 ASN 21 -7.636 -5.141 -4.156 178 HD21 ASN 21 HD21 ASN 21 -8.794 -6.291 -1.072 179 HD22 ASN 21 HD22 ASN 21 -10.213 -7.054 -1.681 180 H VAL 22 H VAL 22 -4.849 -4.872 -2.524 181 HA VAL 22 HA VAL 22 -3.721 -3.889 -4.911 182 HB VAL 22 HB VAL 22 -2.674 -3.681 -2.052 183 HG11 VAL 22 HG11 VAL 22 -0.832 -3.176 -3.609 184 HG12 VAL 22 HG12 VAL 22 -1.369 -1.715 -2.785 185 HG13 VAL 22 HG13 VAL 22 -1.847 -2.007 -4.461 186 HG21 VAL 22 HG21 VAL 22 -4.913 -2.737 -2.366 187 HG22 VAL 22 HG22 VAL 22 -4.329 -1.749 -3.707 188 HG23 VAL 22 HG23 VAL 22 -3.734 -1.458 -2.071 189 H ASN 23 H ASN 23 -2.656 -6.489 -2.795 190 HA ASN 23 HA ASN 23 0.069 -6.696 -3.608 191 HB2 ASN 23 HB2 ASN 23 -1.197 -7.664 -1.488 192 HB3 ASN 23 HB3 ASN 23 -1.537 -9.044 -2.512 193 HD21 ASN 23 HD21 ASN 23 0.870 -7.315 -0.742 194 HD22 ASN 23 HD22 ASN 23 2.137 -8.483 -0.890 195 H ASP 24 H ASP 24 -2.922 -8.276 -4.607 196 HA ASP 24 HA ASP 24 -1.757 -9.954 -6.647 197 HB2 ASP 24 HB2 ASP 24 -3.933 -10.346 -5.278 198 HB3 ASP 24 HB3 ASP 24 -4.693 -9.197 -6.370 199 H ASP 25 H ASP 25 -3.227 -6.729 -6.535 200 HA ASP 25 HA ASP 25 -3.625 -6.328 -9.321 201 HB2 ASP 25 HB2 ASP 25 -3.319 -4.357 -7.029 202 HB3 ASP 25 HB3 ASP 25 -3.628 -3.830 -8.681 203 H ILE 26 H ILE 26 -0.881 -5.489 -7.207 204 HA ILE 26 HA ILE 26 0.718 -4.179 -9.152 205 HB ILE 26 HB ILE 26 1.699 -5.725 -6.707 206 HG12 ILE 26 HG12 ILE 26 1.107 -2.730 -6.806 207 HG13 ILE 26 HG13 ILE 26 -0.054 -3.907 -6.214 208 HG21 ILE 26 HG21 ILE 26 3.642 -4.188 -6.782 209 HG22 ILE 26 HG22 ILE 26 3.018 -3.472 -8.272 210 HG23 ILE 26 HG23 ILE 26 3.513 -5.169 -8.241 211 HD11 ILE 26 HD11 ILE 26 2.683 -3.373 -5.053 212 HD12 ILE 26 HD12 ILE 26 1.539 -4.583 -4.460 213 HD13 ILE 26 HD13 ILE 26 1.132 -2.869 -4.381 214 H LYS 27 H LYS 27 0.271 -7.594 -8.319 215 HA LYS 27 HA LYS 27 2.341 -8.694 -9.945 216 HB2 LYS 27 HB2 LYS 27 -0.246 -9.919 -8.926 217 HB3 LYS 27 HB3 LYS 27 0.985 -10.833 -9.800 218 HG2 LYS 27 HG2 LYS 27 2.625 -10.327 -8.029 219 HG3 LYS 27 HG3 LYS 27 1.393 -9.414 -7.143 220 HD2 LYS 27 HD2 LYS 27 0.035 -11.485 -6.914 221 HD3 LYS 27 HD3 LYS 27 1.249 -12.392 -7.824 222 HE2 LYS 27 HE2 LYS 27 1.505 -12.799 -5.428 223 HE3 LYS 27 HE3 LYS 27 2.908 -11.916 -6.035 224 HZ1 LYS 27 HZ1 LYS 27 1.869 -9.863 -5.211 225 HZ2 LYS 27 HZ2 LYS 27 2.181 -10.971 -3.975 226 HZ3 LYS 27 HZ3 LYS 27 0.605 -10.777 -4.555 227 H GLU 28 H GLU 28 -1.050 -7.848 -10.630 228 HA GLU 28 HA GLU 28 -1.099 -8.746 -13.326 229 HB2 GLU 28 HB2 GLU 28 -3.146 -8.242 -12.044 230 HB3 GLU 28 HB3 GLU 28 -2.689 -6.550 -11.940 231 HG2 GLU 28 HG2 GLU 28 -4.423 -6.834 -13.582 232 HG3 GLU 28 HG3 GLU 28 -2.943 -6.318 -14.378 233 H VAL 29 H VAL 29 0.105 -5.788 -11.787 234 HA VAL 29 HA VAL 29 0.638 -4.356 -14.216 235 HB VAL 29 HB VAL 29 1.969 -3.931 -11.503 236 HG11 VAL 29 HG11 VAL 29 2.385 -1.636 -12.392 237 HG12 VAL 29 HG12 VAL 29 1.742 -2.136 -13.948 238 HG13 VAL 29 HG13 VAL 29 3.211 -2.879 -13.314 239 HG21 VAL 29 HG21 VAL 29 0.313 -2.122 -11.129 240 HG22 VAL 29 HG22 VAL 29 -0.475 -3.695 -11.267 241 HG23 VAL 29 HG23 VAL 29 -0.518 -2.568 -12.626 242 H GLU 30 H GLU 30 2.499 -6.771 -12.354 243 HA GLU 30 HA GLU 30 4.999 -6.552 -13.639 244 HB2 GLU 30 HB2 GLU 30 3.598 -9.154 -12.879 245 HB3 GLU 30 HB3 GLU 30 5.329 -8.955 -13.175 246 HG2 GLU 30 HG2 GLU 30 5.381 -7.321 -11.227 247 HG3 GLU 30 HG3 GLU 30 3.724 -7.812 -10.871 248 H LYS 31 H LYS 31 1.973 -7.894 -14.747 249 HA LYS 31 HA LYS 31 2.960 -8.951 -17.249 250 HB2 LYS 31 HB2 LYS 31 0.963 -9.832 -15.910 251 HB3 LYS 31 HB3 LYS 31 0.074 -8.401 -16.428 252 HG2 LYS 31 HG2 LYS 31 0.350 -9.091 -18.783 253 HG3 LYS 31 HG3 LYS 31 1.260 -10.511 -18.247 254 HD2 LYS 31 HD2 LYS 31 -0.747 -11.335 -17.039 255 HD3 LYS 31 HD3 LYS 31 -1.653 -9.917 -17.576 256 HE2 LYS 31 HE2 LYS 31 -1.456 -10.639 -19.908 257 HE3 LYS 31 HE3 LYS 31 -0.443 -12.002 -19.431 258 HZ1 LYS 31 HZ1 LYS 31 -2.300 -12.908 -18.196 259 HZ2 LYS 31 HZ2 LYS 31 -2.721 -12.682 -19.816 260 HZ3 LYS 31 HZ3 LYS 31 -3.279 -11.606 -18.641 261 H ASN 32 H ASN 32 1.146 -6.053 -16.182 262 HA ASN 32 HA ASN 32 1.625 -4.699 -18.785 263 HB2 ASN 32 HB2 ASN 32 -0.864 -4.493 -17.037 264 HB3 ASN 32 HB3 ASN 32 -0.576 -3.538 -18.490 265 HD21 ASN 32 HD21 ASN 32 -2.691 -5.504 -17.819 266 HD22 ASN 32 HD22 ASN 32 -2.651 -6.681 -19.082 267 HA PRO 33 HA PRO 33 3.888 -2.539 -15.331 268 HB2 PRO 33 HB2 PRO 33 5.734 -1.216 -16.956 269 HB3 PRO 33 HB3 PRO 33 5.924 -2.868 -16.345 270 HG2 PRO 33 HG2 PRO 33 4.885 -1.939 -19.023 271 HG3 PRO 33 HG3 PRO 33 6.037 -3.245 -18.660 272 HD2 PRO 33 HD2 PRO 33 3.471 -3.801 -19.208 273 HD3 PRO 33 HD3 PRO 33 4.339 -4.714 -17.954 274 H GLU 34 H GLU 34 3.188 -0.677 -18.342 275 HA GLU 34 HA GLU 34 3.003 1.820 -16.801 276 HB2 GLU 34 HB2 GLU 34 2.962 1.323 -19.803 277 HB3 GLU 34 HB3 GLU 34 2.965 2.910 -19.036 278 HG2 GLU 34 HG2 GLU 34 5.193 2.464 -18.083 279 HG3 GLU 34 HG3 GLU 34 5.187 0.850 -18.802 280 H ASP 35 H ASP 35 0.808 -0.325 -16.744 281 HA ASP 35 HA ASP 35 -1.499 0.896 -17.976 282 HB2 ASP 35 HB2 ASP 35 -1.200 -1.604 -17.278 283 HB3 ASP 35 HB3 ASP 35 -1.608 -1.076 -15.649 284 H MET 36 H MET 36 -1.582 3.033 -17.313 285 HA MET 36 HA MET 36 -1.029 3.990 -14.705 286 HB2 MET 36 HB2 MET 36 -2.550 5.391 -16.932 287 HB3 MET 36 HB3 MET 36 -1.835 6.161 -15.532 288 HG2 MET 36 HG2 MET 36 -0.159 4.625 -17.524 289 HG3 MET 36 HG3 MET 36 -0.570 6.322 -17.752 290 HE1 MET 36 HE1 MET 36 1.711 3.747 -15.928 291 HE2 MET 36 HE2 MET 36 0.735 4.168 -14.516 292 HE3 MET 36 HE3 MET 36 2.415 4.689 -14.617 293 H GLU 37 H GLU 37 -4.051 3.146 -16.315 294 HA GLU 37 HA GLU 37 -5.929 4.112 -14.493 295 HB2 GLU 37 HB2 GLU 37 -6.555 3.117 -16.681 296 HB3 GLU 37 HB3 GLU 37 -6.106 1.519 -16.084 297 HG2 GLU 37 HG2 GLU 37 -7.868 1.723 -14.317 298 HG3 GLU 37 HG3 GLU 37 -8.342 3.272 -15.011 299 H TYR 38 H TYR 38 -4.234 0.979 -14.504 300 HA TYR 38 HA TYR 38 -5.435 -0.112 -12.180 301 HB2 TYR 38 HB2 TYR 38 -3.621 -1.017 -14.154 302 HB3 TYR 38 HB3 TYR 38 -2.686 -1.101 -12.671 303 HD1 TYR 38 HD1 TYR 38 -6.034 -2.071 -14.066 304 HD2 TYR 38 HD2 TYR 38 -2.905 -3.029 -11.323 305 HE1 TYR 38 HE1 TYR 38 -7.181 -4.169 -13.492 306 HE2 TYR 38 HE2 TYR 38 -4.049 -5.118 -10.762 307 HH TYR 38 HH TYR 38 -6.271 -6.059 -10.786 308 H TRP 39 H TRP 39 -2.539 1.859 -12.639 309 HA TRP 39 HA TRP 39 -1.679 1.824 -9.919 310 HB2 TRP 39 HB2 TRP 39 -0.959 3.575 -12.283 311 HB3 TRP 39 HB3 TRP 39 -0.311 3.898 -10.678 312 HD1 TRP 39 HD1 TRP 39 0.618 2.080 -13.708 313 HE1 TRP 39 HE1 TRP 39 2.444 0.341 -13.227 314 HE3 TRP 39 HE3 TRP 39 0.300 1.892 -8.589 315 HZ2 TRP 39 HZ2 TRP 39 3.583 -0.953 -11.006 316 HZ3 TRP 39 HZ3 TRP 39 1.793 0.359 -7.372 317 HH2 TRP 39 HH2 TRP 39 3.408 -1.044 -8.570 318 H ASN 40 H ASN 40 -4.030 3.925 -11.613 319 HA ASN 40 HA ASN 40 -4.366 5.862 -9.564 320 HB2 ASN 40 HB2 ASN 40 -6.444 4.727 -11.485 321 HB3 ASN 40 HB3 ASN 40 -6.786 6.044 -10.367 322 HD21 ASN 40 HD21 ASN 40 -5.271 5.173 -13.315 323 HD22 ASN 40 HD22 ASN 40 -4.826 6.753 -13.797 324 H LYS 41 H LYS 41 -5.960 2.702 -10.050 325 HA LYS 41 HA LYS 41 -7.522 2.548 -7.725 326 HB2 LYS 41 HB2 LYS 41 -6.190 0.430 -9.432 327 HB3 LYS 41 HB3 LYS 41 -6.926 -0.056 -7.918 328 HG2 LYS 41 HG2 LYS 41 -8.551 -0.480 -9.556 329 HG3 LYS 41 HG3 LYS 41 -9.085 0.982 -8.728 330 HD2 LYS 41 HD2 LYS 41 -8.244 2.353 -10.614 331 HD3 LYS 41 HD3 LYS 41 -7.694 0.887 -11.437 332 HE2 LYS 41 HE2 LYS 41 -10.048 0.068 -11.492 333 HE3 LYS 41 HE3 LYS 41 -10.573 1.571 -10.730 334 HZ1 LYS 41 HZ1 LYS 41 -10.908 1.663 -13.083 335 HZ2 LYS 41 HZ2 LYS 41 -9.290 1.298 -13.384 336 HZ3 LYS 41 HZ3 LYS 41 -9.702 2.769 -12.659 337 H ILE 42 H ILE 42 -4.181 1.345 -8.167 338 HA ILE 42 HA ILE 42 -3.776 0.427 -5.532 339 HB ILE 42 HB ILE 42 -1.752 1.223 -7.672 340 HG12 ILE 42 HG12 ILE 42 -2.749 -1.548 -6.829 341 HG13 ILE 42 HG13 ILE 42 -3.326 -0.668 -8.238 342 HG21 ILE 42 HG21 ILE 42 -1.205 -0.312 -5.097 343 HG22 ILE 42 HG22 ILE 42 -0.605 1.297 -5.500 344 HG23 ILE 42 HG23 ILE 42 -0.058 -0.101 -6.423 345 HD11 ILE 42 HD11 ILE 42 -1.092 -0.808 -9.235 346 HD12 ILE 42 HD12 ILE 42 -1.747 -2.401 -8.854 347 HD13 ILE 42 HD13 ILE 42 -0.514 -1.685 -7.815 348 H TYR 43 H TYR 43 -3.124 3.606 -6.998 349 HA TYR 43 HA TYR 43 -1.634 4.741 -4.860 350 HB2 TYR 43 HB2 TYR 43 -1.629 5.738 -7.125 351 HB3 TYR 43 HB3 TYR 43 -3.329 6.160 -6.964 352 HD1 TYR 43 HD2 TYR 43 0.009 6.773 -5.336 353 HD2 TYR 43 HD1 TYR 43 -3.902 8.322 -6.105 354 HE1 TYR 43 HE2 TYR 43 0.636 8.904 -4.286 355 HE2 TYR 43 HE1 TYR 43 -3.265 10.451 -5.051 356 HH TYR 43 HH TYR 43 -0.020 11.238 -4.285 357 H ARG 44 H ARG 44 -5.116 4.880 -5.645 358 HA ARG 44 HA ARG 44 -5.915 6.550 -3.481 359 HB2 ARG 44 HB2 ARG 44 -7.527 4.578 -5.154 360 HB3 ARG 44 HB3 ARG 44 -8.242 5.735 -4.030 361 HG2 ARG 44 HG2 ARG 44 -7.406 7.607 -5.363 362 HG3 ARG 44 HG3 ARG 44 -6.559 6.498 -6.444 363 HD2 ARG 44 HD2 ARG 44 -8.627 7.268 -7.492 364 HD3 ARG 44 HD3 ARG 44 -8.735 5.537 -7.154 365 HE ARG 44 HE ARG 44 -9.854 7.060 -5.028 366 HH11 ARG 44 HH11 ARG 44 -10.622 5.986 -8.233 367 HH12 ARG 44 HH12 ARG 44 -12.322 6.043 -7.948 368 HH21 ARG 44 HH21 ARG 44 -12.016 7.125 -4.702 369 HH22 ARG 44 HH22 ARG 44 -13.105 6.687 -5.971 370 H LEU 45 H LEU 45 -5.729 3.020 -3.823 371 HA LEU 45 HA LEU 45 -6.931 2.334 -1.331 372 HB2 LEU 45 HB2 LEU 45 -5.061 0.778 -3.150 373 HB3 LEU 45 HB3 LEU 45 -5.840 0.073 -1.741 374 HG LEU 45 HG LEU 45 -7.279 1.189 -4.189 375 HD11 LEU 45 HD11 LEU 45 -7.914 -1.126 -4.681 376 HD12 LEU 45 HD12 LEU 45 -6.962 -1.698 -3.309 377 HD13 LEU 45 HD13 LEU 45 -6.162 -0.934 -4.685 378 HD21 LEU 45 HD21 LEU 45 -8.604 1.531 -2.151 379 HD22 LEU 45 HD22 LEU 45 -8.462 -0.183 -1.756 380 HD23 LEU 45 HD23 LEU 45 -9.342 0.324 -3.199 381 H VAL 46 H VAL 46 -3.509 2.757 -2.292 382 HA VAL 46 HA VAL 46 -2.364 2.243 0.274 383 HB VAL 46 HB VAL 46 -1.289 3.700 -2.175 384 HG11 VAL 46 HG11 VAL 46 -0.162 4.712 -0.250 385 HG12 VAL 46 HG12 VAL 46 0.963 3.658 -1.101 386 HG13 VAL 46 HG13 VAL 46 0.216 3.117 0.403 387 HG21 VAL 46 HG21 VAL 46 -0.598 0.991 -0.958 388 HG22 VAL 46 HG22 VAL 46 0.145 1.686 -2.401 389 HG23 VAL 46 HG23 VAL 46 -1.566 1.258 -2.411 390 H HIS 47 H HIS 47 -3.589 5.184 -1.264 391 HA HIS 47 HA HIS 47 -2.778 7.123 0.635 392 HB2 HIS 47 HB2 HIS 47 -3.758 7.530 -1.693 393 HB3 HIS 47 HB3 HIS 47 -5.338 7.172 -1.029 394 HD1 HIS 47 HD1 HIS 47 -3.867 9.939 -2.216 395 HD2 HIS 47 HD2 HIS 47 -5.337 9.174 1.586 396 HE1 HIS 47 HE1 HIS 47 -4.415 12.178 -1.246 397 HE2 HIS 47 HE2 HIS 47 -5.496 11.673 0.955 398 H THR 48 H THR 48 -5.579 4.962 0.467 399 HA THR 48 HA THR 48 -6.951 5.839 2.798 400 HB THR 48 HB THR 48 -7.000 3.074 1.503 401 HG1 THR 48 HG1 THR 48 -7.650 4.991 0.195 402 HG21 THR 48 HG21 THR 48 -9.013 4.382 3.374 403 HG22 THR 48 HG22 THR 48 -7.962 3.016 3.771 404 HG23 THR 48 HG23 THR 48 -9.230 2.838 2.556 405 H MET 49 H MET 49 -4.600 3.158 2.277 406 HA MET 49 HA MET 49 -4.440 2.071 4.858 407 HB2 MET 49 HB2 MET 49 -2.148 2.380 2.865 408 HB3 MET 49 HB3 MET 49 -2.165 1.271 4.232 409 HG2 MET 49 HG2 MET 49 -3.935 -0.007 3.211 410 HG3 MET 49 HG3 MET 49 -4.068 1.159 1.900 411 HE1 MET 49 HE1 MET 49 -3.830 -1.823 1.180 412 HE2 MET 49 HE2 MET 49 -2.569 -1.799 -0.054 413 HE3 MET 49 HE3 MET 49 -3.796 -0.530 -0.021 414 H LYS 50 H LYS 50 -2.540 4.671 3.412 415 HA LYS 50 HA LYS 50 -0.835 5.423 5.462 416 HB2 LYS 50 HB2 LYS 50 -0.712 6.239 3.131 417 HB3 LYS 50 HB3 LYS 50 -2.197 7.144 3.357 418 HG2 LYS 50 HG2 LYS 50 -1.027 8.548 5.075 419 HG3 LYS 50 HG3 LYS 50 0.471 7.683 4.707 420 HD2 LYS 50 HD2 LYS 50 0.379 8.494 2.376 421 HD3 LYS 50 HD3 LYS 50 -1.155 9.305 2.701 422 HE2 LYS 50 HE2 LYS 50 1.501 9.979 4.015 423 HE3 LYS 50 HE3 LYS 50 0.760 10.873 2.689 424 HZ1 LYS 50 HZ1 LYS 50 0.315 11.969 4.749 425 HZ2 LYS 50 HZ2 LYS 50 -0.330 10.561 5.431 426 HZ3 LYS 50 HZ3 LYS 50 -1.138 11.329 4.162 427 H GLU 51 H GLU 51 -4.049 6.768 4.685 428 HA GLU 51 HA GLU 51 -4.234 8.574 6.835 429 HB2 GLU 51 HB2 GLU 51 -5.530 8.711 4.726 430 HB3 GLU 51 HB3 GLU 51 -6.428 7.264 5.174 431 HG2 GLU 51 HG2 GLU 51 -7.432 8.422 7.051 432 HG3 GLU 51 HG3 GLU 51 -6.458 9.855 6.743 433 H ILE 52 H ILE 52 -5.116 5.150 6.575 434 HA ILE 52 HA ILE 52 -6.633 4.894 8.980 435 HB ILE 52 HB ILE 52 -5.169 2.834 7.272 436 HG12 ILE 52 HG12 ILE 52 -8.153 3.360 7.695 437 HG13 ILE 52 HG13 ILE 52 -7.220 3.856 6.290 438 HG21 ILE 52 HG21 ILE 52 -5.144 1.936 9.556 439 HG22 ILE 52 HG22 ILE 52 -6.278 1.022 8.565 440 HG23 ILE 52 HG23 ILE 52 -6.879 2.217 9.716 441 HD11 ILE 52 HD11 ILE 52 -6.842 1.483 5.730 442 HD12 ILE 52 HD12 ILE 52 -8.550 1.915 5.787 443 HD13 ILE 52 HD13 ILE 52 -7.830 1.019 7.121 444 H THR 53 H THR 53 -3.182 4.148 8.267 445 HA THR 53 HA THR 53 -2.570 3.338 10.925 446 HB THR 53 HB THR 53 -1.131 2.470 9.231 447 HG1 THR 53 HG1 THR 53 0.547 4.370 10.451 448 HG21 THR 53 HG21 THR 53 0.392 3.824 7.877 449 HG22 THR 53 HG22 THR 53 -0.291 5.301 8.556 450 HG23 THR 53 HG23 THR 53 -1.288 4.260 7.537 451 H GLU 54 H GLU 54 -2.396 6.485 9.315 452 HA GLU 54 HA GLU 54 -0.916 7.830 11.365 453 HB2 GLU 54 HB2 GLU 54 -2.682 8.907 9.137 454 HB3 GLU 54 HB3 GLU 54 -1.730 9.934 10.207 455 HG2 GLU 54 HG2 GLU 54 0.332 8.924 9.405 456 HG3 GLU 54 HG3 GLU 54 -0.563 7.773 8.417 457 H THR 55 H THR 55 -4.443 7.357 10.842 458 HA THR 55 HA THR 55 -5.211 9.076 13.026 459 HB THR 55 HB THR 55 -6.819 8.483 11.174 460 HG1 THR 55 HG1 THR 55 -8.606 8.056 12.833 461 HG21 THR 55 HG21 THR 55 -6.457 6.046 11.028 462 HG22 THR 55 HG22 THR 55 -8.151 6.418 11.343 463 HG23 THR 55 HG23 THR 55 -7.118 5.842 12.653 464 H MET 56 H MET 56 -4.225 5.717 12.812 465 HA MET 56 HA MET 56 -4.923 5.073 15.567 466 HB2 MET 56 HB2 MET 56 -3.195 3.561 13.559 467 HB3 MET 56 HB3 MET 56 -3.685 2.945 15.133 468 HG2 MET 56 HG2 MET 56 -6.081 3.118 14.378 469 HG3 MET 56 HG3 MET 56 -5.484 3.533 12.769 470 HE1 MET 56 HE1 MET 56 -2.841 1.615 12.622 471 HE2 MET 56 HE2 MET 56 -3.966 1.806 11.274 472 HE3 MET 56 HE3 MET 56 -3.529 0.192 11.841 473 H GLY 57 H GLY 57 -2.236 6.562 13.957 474 HA2 GLY 57 HA2 GLY 57 -0.601 7.870 15.006 475 HA3 GLY 57 HA3 GLY 57 -0.917 7.058 16.526 476 H PHE 58 H PHE 58 -0.153 5.437 13.479 477 HA PHE 58 HA PHE 58 2.397 4.416 14.587 478 HB2 PHE 58 HB2 PHE 58 0.526 3.358 12.444 479 HB3 PHE 58 HB3 PHE 58 2.118 2.681 12.694 480 HD1 PHE 58 HD2 PHE 58 2.609 1.414 14.789 481 HD2 PHE 58 HD1 PHE 58 -1.309 2.900 13.947 482 HE1 PHE 58 HE2 PHE 58 1.667 -0.077 16.497 483 HE2 PHE 58 HE1 PHE 58 -2.243 1.403 15.661 484 HZ PHE 58 HZ PHE 58 -0.756 -0.086 16.937 485 H SER 59 H SER 59 3.946 5.878 13.988 486 HA SER 59 HA SER 59 4.080 7.169 11.414 487 HB2 SER 59 HB2 SER 59 6.219 6.909 13.575 488 HB3 SER 59 HB3 SER 59 6.285 7.999 12.183 489 HG SER 59 HG SER 59 4.825 8.195 14.533 490 H SER 60 H SER 60 5.449 4.254 12.812 491 HA SER 60 HA SER 60 7.516 3.695 10.981 492 HB2 SER 60 HB2 SER 60 7.287 2.544 13.161 493 HB3 SER 60 HB3 SER 60 5.829 1.729 12.595 494 HG SER 60 HG SER 60 7.065 0.295 11.710 495 H VAL 61 H VAL 61 4.129 2.537 11.036 496 HA VAL 61 HA VAL 61 4.220 1.119 8.563 497 HB VAL 61 HB VAL 61 1.712 2.343 9.785 498 HG11 VAL 61 HG11 VAL 61 2.068 -0.131 8.050 499 HG12 VAL 61 HG12 VAL 61 1.391 1.416 7.540 500 HG13 VAL 61 HG13 VAL 61 0.539 0.434 8.730 501 HG21 VAL 61 HG21 VAL 61 2.886 1.097 11.567 502 HG22 VAL 61 HG22 VAL 61 2.905 -0.342 10.548 503 HG23 VAL 61 HG23 VAL 61 1.369 0.316 11.115 504 H ALA 62 H ALA 62 3.046 4.387 9.463 505 HA ALA 62 HA ALA 62 1.916 5.227 7.058 506 HB1 ALA 62 HB1 ALA 62 2.215 7.543 7.876 507 HB2 ALA 62 HB2 ALA 62 3.317 6.959 9.134 508 HB3 ALA 62 HB3 ALA 62 1.619 6.469 9.149 509 H LYS 63 H LYS 63 5.336 5.454 8.056 510 HA LYS 63 HA LYS 63 6.247 7.074 5.927 511 HB2 LYS 63 HB2 LYS 63 7.579 6.696 7.981 512 HB3 LYS 63 HB3 LYS 63 7.829 5.010 7.522 513 HG2 LYS 63 HG2 LYS 63 9.103 5.711 5.535 514 HG3 LYS 63 HG3 LYS 63 8.785 7.408 5.907 515 HD2 LYS 63 HD2 LYS 63 10.080 7.157 8.024 516 HD3 LYS 63 HD3 LYS 63 10.426 5.479 7.597 517 HE2 LYS 63 HE2 LYS 63 11.671 6.218 5.614 518 HE3 LYS 63 HE3 LYS 63 11.263 7.900 5.954 519 HZ1 LYS 63 HZ1 LYS 63 12.913 6.131 7.672 520 HZ2 LYS 63 HZ2 LYS 63 12.506 7.734 8.020 521 HZ3 LYS 63 HZ3 LYS 63 13.485 7.382 6.687 522 H VAL 64 H VAL 64 5.964 3.543 6.222 523 HA VAL 64 HA VAL 64 7.240 2.773 3.824 524 HB VAL 64 HB VAL 64 4.908 1.342 5.185 525 HG11 VAL 64 HG11 VAL 64 7.062 0.227 3.339 526 HG12 VAL 64 HG12 VAL 64 5.379 0.509 2.895 527 HG13 VAL 64 HG13 VAL 64 5.773 -0.700 4.119 528 HG21 VAL 64 HG21 VAL 64 6.613 0.015 6.395 529 HG22 VAL 64 HG22 VAL 64 6.724 1.725 6.805 530 HG23 VAL 64 HG23 VAL 64 7.894 1.008 5.695 531 H LEU 65 H LEU 65 3.808 3.498 4.487 532 HA LEU 65 HA LEU 65 2.893 3.126 1.788 533 HB2 LEU 65 HB2 LEU 65 1.621 4.512 4.178 534 HB3 LEU 65 HB3 LEU 65 0.818 4.380 2.626 535 HG LEU 65 HG LEU 65 -0.059 2.704 4.131 536 HD11 LEU 65 HD11 LEU 65 1.708 1.381 2.038 537 HD12 LEU 65 HD12 LEU 65 0.099 2.056 1.769 538 HD13 LEU 65 HD13 LEU 65 0.296 0.656 2.815 539 HD21 LEU 65 HD21 LEU 65 1.319 0.877 5.049 540 HD22 LEU 65 HD22 LEU 65 1.761 2.461 5.682 541 HD23 LEU 65 HD23 LEU 65 2.773 1.697 4.452 542 H HIS 66 H HIS 66 4.156 5.841 3.605 543 HA HIS 66 HA HIS 66 3.407 7.973 1.895 544 HB2 HIS 66 HB2 HIS 66 4.195 8.183 4.282 545 HB3 HIS 66 HB3 HIS 66 5.827 7.835 3.743 546 HD1 HIS 66 HD1 HIS 66 7.123 9.772 2.617 547 HD2 HIS 66 HD2 HIS 66 3.209 10.739 3.621 548 HE1 HIS 66 HE1 HIS 66 6.957 12.258 2.339 549 HE2 HIS 66 HE2 HIS 66 4.610 12.835 3.032 550 H THR 67 H THR 67 6.055 5.631 1.788 551 HA THR 67 HA THR 67 7.589 6.997 -0.264 552 HB THR 67 HB THR 67 8.922 5.011 -0.535 553 HG1 THR 67 HG1 THR 67 7.390 3.379 1.142 554 HG21 THR 67 HG21 THR 67 8.116 5.143 2.378 555 HG22 THR 67 HG22 THR 67 9.321 6.170 1.600 556 HG23 THR 67 HG23 THR 67 9.601 4.433 1.746 557 H ILE 68 H ILE 68 4.974 4.629 -0.235 558 HA ILE 68 HA ILE 68 5.079 3.970 -3.038 559 HB ILE 68 HB ILE 68 2.663 3.561 -1.230 560 HG12 ILE 68 HG12 ILE 68 4.512 2.632 0.035 561 HG13 ILE 68 HG13 ILE 68 3.617 1.293 -0.667 562 HG21 ILE 68 HG21 ILE 68 2.234 1.591 -2.672 563 HG22 ILE 68 HG22 ILE 68 3.648 1.997 -3.647 564 HG23 ILE 68 HG23 ILE 68 2.264 3.091 -3.600 565 HD11 ILE 68 HD11 ILE 68 6.021 0.980 -0.731 566 HD12 ILE 68 HD12 ILE 68 6.209 2.410 -1.739 567 HD13 ILE 68 HD13 ILE 68 5.331 0.998 -2.352 568 H MET 69 H MET 69 3.234 6.246 -1.064 569 HA MET 69 HA MET 69 1.462 7.350 -2.938 570 HB2 MET 69 HB2 MET 69 2.971 8.680 -0.648 571 HB3 MET 69 HB3 MET 69 1.654 9.450 -1.529 572 HG2 MET 69 HG2 MET 69 1.254 6.815 -0.142 573 HG3 MET 69 HG3 MET 69 1.152 8.343 0.728 574 HE1 MET 69 HE1 MET 69 -0.258 10.330 -1.363 575 HE2 MET 69 HE2 MET 69 -0.646 10.151 0.349 576 HE3 MET 69 HE3 MET 69 -1.931 10.073 -0.859 577 H ASN 70 H ASN 70 4.791 8.322 -2.130 578 HA ASN 70 HA ASN 70 5.156 10.318 -4.101 579 HB2 ASN 70 HB2 ASN 70 6.572 10.039 -2.080 580 HB3 ASN 70 HB3 ASN 70 7.201 8.526 -2.728 581 HD21 ASN 70 HD21 ASN 70 9.318 9.225 -2.769 582 HD22 ASN 70 HD22 ASN 70 9.911 10.426 -3.854 583 H LEU 71 H LEU 71 5.692 6.831 -4.129 584 HA LEU 71 HA LEU 71 7.282 6.639 -6.474 585 HB2 LEU 71 HB2 LEU 71 6.914 5.001 -4.440 586 HB3 LEU 71 HB3 LEU 71 5.574 4.377 -5.379 587 HG LEU 71 HG LEU 71 8.488 4.366 -6.278 588 HD11 LEU 71 HD11 LEU 71 8.174 2.888 -4.351 589 HD12 LEU 71 HD12 LEU 71 8.455 1.943 -5.810 590 HD13 LEU 71 HD13 LEU 71 6.820 2.084 -5.151 591 HD21 LEU 71 HD21 LEU 71 6.051 3.031 -7.508 592 HD22 LEU 71 HD22 LEU 71 7.725 2.776 -8.020 593 HD23 LEU 71 HD23 LEU 71 6.986 4.364 -8.194 594 H VAL 72 H VAL 72 3.884 5.671 -5.953 595 HA VAL 72 HA VAL 72 3.295 5.119 -8.662 596 HB VAL 72 HB VAL 72 1.304 5.617 -6.405 597 HG11 VAL 72 HG11 VAL 72 1.018 4.100 -9.032 598 HG12 VAL 72 HG12 VAL 72 0.250 5.637 -8.624 599 HG13 VAL 72 HG13 VAL 72 -0.206 4.171 -7.755 600 HG21 VAL 72 HG21 VAL 72 2.608 2.989 -7.259 601 HG22 VAL 72 HG22 VAL 72 1.334 3.164 -6.049 602 HG23 VAL 72 HG23 VAL 72 2.926 3.861 -5.755 603 H ASP 73 H ASP 73 2.805 8.054 -6.691 604 HA ASP 73 HA ASP 73 1.237 9.575 -8.471 605 HB2 ASP 73 HB2 ASP 73 1.795 10.273 -6.138 606 HB3 ASP 73 HB3 ASP 73 3.460 10.567 -6.626 607 H LYS 74 H LYS 74 4.765 9.119 -8.315 608 HA LYS 74 HA LYS 74 5.453 10.710 -10.580 609 HB2 LYS 74 HB2 LYS 74 6.881 8.779 -8.801 610 HB3 LYS 74 HB3 LYS 74 7.576 8.970 -10.401 611 HG2 LYS 74 HG2 LYS 74 8.639 10.444 -8.740 612 HG3 LYS 74 HG3 LYS 74 7.890 11.349 -10.056 613 HD2 LYS 74 HD2 LYS 74 5.975 11.917 -8.623 614 HD3 LYS 74 HD3 LYS 74 6.637 10.931 -7.315 615 HE2 LYS 74 HE2 LYS 74 7.937 13.417 -8.481 616 HE3 LYS 74 HE3 LYS 74 7.065 13.333 -6.950 617 HZ1 LYS 74 HZ1 LYS 74 9.423 13.212 -6.570 618 HZ2 LYS 74 HZ2 LYS 74 9.578 11.898 -7.619 619 HZ3 LYS 74 HZ3 LYS 74 8.720 11.724 -6.171 620 H MET 75 H MET 75 4.378 7.373 -10.288 621 HA MET 75 HA MET 75 5.143 6.474 -12.872 622 HB2 MET 75 HB2 MET 75 2.942 5.546 -10.998 623 HB3 MET 75 HB3 MET 75 3.343 4.715 -12.496 624 HG2 MET 75 HG2 MET 75 5.602 4.266 -11.662 625 HG3 MET 75 HG3 MET 75 5.226 5.123 -10.158 626 HE1 MET 75 HE1 MET 75 5.852 1.803 -11.344 627 HE2 MET 75 HE2 MET 75 5.233 0.937 -9.935 628 HE3 MET 75 HE3 MET 75 6.329 2.304 -9.719 629 H LEU 76 H LEU 76 2.193 8.066 -11.711 630 HA LEU 76 HA LEU 76 0.387 7.474 -13.761 631 HB2 LEU 76 HB2 LEU 76 0.537 9.354 -11.485 632 HB3 LEU 76 HB3 LEU 76 -0.477 9.959 -12.777 633 HG LEU 76 HG LEU 76 -1.890 7.929 -12.657 634 HD11 LEU 76 HD11 LEU 76 -0.112 7.030 -10.371 635 HD12 LEU 76 HD12 LEU 76 -0.241 6.272 -11.959 636 HD13 LEU 76 HD13 LEU 76 -1.624 6.263 -10.870 637 HD21 LEU 76 HD21 LEU 76 -2.502 9.856 -11.261 638 HD22 LEU 76 HD22 LEU 76 -1.527 9.222 -9.932 639 HD23 LEU 76 HD23 LEU 76 -2.952 8.338 -10.487 640 H ASN 77 H ASN 77 3.033 9.597 -14.143 641 HA ASN 77 HA ASN 77 1.733 11.184 -16.279 642 HB2 ASN 77 HB2 ASN 77 3.971 12.500 -16.153 643 HB3 ASN 77 HB3 ASN 77 2.865 12.644 -14.802 644 HD21 ASN 77 HD21 ASN 77 5.157 10.035 -15.532 645 HD22 ASN 77 HD22 ASN 77 6.071 10.261 -14.091 646 H SER 78 H SER 78 2.840 11.546 -18.301 647 HA SER 78 HA SER 78 4.125 9.309 -19.560 648 HB2 SER 78 HB2 SER 78 3.838 12.210 -20.462 649 HB3 SER 78 HB3 SER 78 4.351 10.877 -21.503 650 HG SER 78 HG SER 78 1.989 11.599 -21.381 651 H GLU 79 H GLU 79 5.285 11.718 -17.510 652 HA GLU 79 HA GLU 79 7.798 12.463 -18.566 653 HB2 GLU 79 HB2 GLU 79 6.708 12.449 -15.713 654 HB3 GLU 79 HB3 GLU 79 8.159 13.290 -16.200 655 HG2 GLU 79 HG2 GLU 79 5.390 13.886 -17.268 656 HG3 GLU 79 HG3 GLU 79 6.175 14.763 -15.957 657 H ILE 80 H ILE 80 6.777 9.779 -16.530 658 HA ILE 80 HA ILE 80 9.568 8.860 -16.053 659 HB ILE 80 HB ILE 80 7.131 8.628 -14.229 660 HG12 ILE 80 HG12 ILE 80 8.364 10.959 -14.555 661 HG13 ILE 80 HG13 ILE 80 7.837 10.455 -12.970 662 HG21 ILE 80 HG21 ILE 80 8.564 6.701 -13.890 663 HG22 ILE 80 HG22 ILE 80 8.677 7.768 -12.491 664 HG23 ILE 80 HG23 ILE 80 9.980 7.734 -13.681 665 HD11 ILE 80 HD11 ILE 80 10.071 11.482 -12.980 666 HD12 ILE 80 HD12 ILE 80 10.666 10.201 -14.037 667 HD13 ILE 80 HD13 ILE 80 10.125 9.820 -12.399 668 H LYS 81 H LYS 81 9.953 6.640 -16.308 669 HA LYS 81 HA LYS 81 7.778 4.990 -17.460 670 HB2 LYS 81 HB2 LYS 81 10.798 4.808 -17.830 671 HB3 LYS 81 HB3 LYS 81 9.663 3.600 -18.436 672 HG2 LYS 81 HG2 LYS 81 9.821 6.521 -19.270 673 HG3 LYS 81 HG3 LYS 81 10.282 5.114 -20.239 674 HD2 LYS 81 HD2 LYS 81 7.911 4.341 -20.204 675 HD3 LYS 81 HD3 LYS 81 7.466 5.765 -19.266 676 HE2 LYS 81 HE2 LYS 81 8.148 7.205 -21.172 677 HE3 LYS 81 HE3 LYS 81 8.538 5.757 -22.107 678 HZ1 LYS 81 HZ1 LYS 81 5.867 6.541 -21.073 679 HZ2 LYS 81 HZ2 LYS 81 6.200 5.061 -21.817 680 HZ3 LYS 81 HZ3 LYS 81 6.363 6.503 -22.692 681 H ILE 82 H ILE 82 7.658 2.751 -16.901 682 HA ILE 82 HA ILE 82 8.376 2.241 -14.070 683 HB ILE 82 HB ILE 82 6.023 1.209 -15.729 684 HG12 ILE 82 HG12 ILE 82 6.070 3.094 -13.327 685 HG13 ILE 82 HG13 ILE 82 5.831 3.588 -14.997 686 HG21 ILE 82 HG21 ILE 82 5.193 0.142 -13.652 687 HG22 ILE 82 HG22 ILE 82 6.672 0.612 -12.810 688 HG23 ILE 82 HG23 ILE 82 6.744 -0.540 -14.144 689 HD11 ILE 82 HD11 ILE 82 3.762 2.242 -15.062 690 HD12 ILE 82 HD12 ILE 82 3.741 3.525 -13.855 691 HD13 ILE 82 HD13 ILE 82 3.999 1.858 -13.352 692 H THR 83 H THR 83 10.152 1.061 -14.038 693 HA THR 83 HA THR 83 10.687 -1.144 -15.813 694 HB THR 83 HB THR 83 12.105 -0.261 -13.249 695 HG1 THR 83 HG1 THR 83 12.618 1.314 -14.601 696 HG21 THR 83 HG21 THR 83 13.098 -2.162 -15.417 697 HG22 THR 83 HG22 THR 83 12.647 -2.624 -13.773 698 HG23 THR 83 HG23 THR 83 14.042 -1.579 -14.045 699 H SER 84 H SER 84 10.642 -3.384 -15.250 700 HA SER 84 HA SER 84 8.620 -4.383 -13.578 701 HB2 SER 84 HB2 SER 84 9.562 -5.697 -15.422 702 HB3 SER 84 HB3 SER 84 11.122 -5.770 -14.614 703 HG SER 84 HG SER 84 8.808 -6.770 -13.341 704 H ASP 85 H ASP 85 12.083 -3.963 -12.899 705 HA ASP 85 HA ASP 85 12.184 -5.075 -10.300 706 HB2 ASP 85 HB2 ASP 85 13.865 -2.827 -11.466 707 HB3 ASP 85 HB3 ASP 85 14.266 -3.789 -10.043 708 H LEU 86 H LEU 86 11.203 -1.873 -11.429 709 HA LEU 86 HA LEU 86 11.100 -0.606 -8.857 710 HB2 LEU 86 HB2 LEU 86 11.287 0.672 -11.002 711 HB3 LEU 86 HB3 LEU 86 9.667 0.148 -11.433 712 HG LEU 86 HG LEU 86 8.892 1.323 -9.250 713 HD11 LEU 86 HD11 LEU 86 10.288 3.179 -8.452 714 HD12 LEU 86 HD12 LEU 86 11.600 2.659 -9.512 715 HD13 LEU 86 HD13 LEU 86 11.062 1.615 -8.194 716 HD21 LEU 86 HD21 LEU 86 9.909 3.037 -11.556 717 HD22 LEU 86 HD22 LEU 86 8.687 3.510 -10.372 718 HD23 LEU 86 HD23 LEU 86 8.358 2.193 -11.493 719 H ILE 87 H ILE 87 8.749 -2.326 -10.868 720 HA ILE 87 HA ILE 87 6.423 -2.076 -9.286 721 HB ILE 87 HB ILE 87 7.337 -4.440 -10.994 722 HG12 ILE 87 HG12 ILE 87 5.554 -2.085 -11.763 723 HG13 ILE 87 HG13 ILE 87 7.237 -2.274 -12.240 724 HG21 ILE 87 HG21 ILE 87 4.965 -5.081 -11.184 725 HG22 ILE 87 HG22 ILE 87 4.514 -3.774 -10.087 726 HG23 ILE 87 HG23 ILE 87 5.498 -5.118 -9.503 727 HD11 ILE 87 HD11 ILE 87 5.799 -2.861 -14.059 728 HD12 ILE 87 HD12 ILE 87 4.918 -4.015 -13.060 729 HD13 ILE 87 HD13 ILE 87 6.606 -4.322 -13.487 730 H ASP 88 H ASP 88 9.283 -4.145 -8.992 731 HA ASP 88 HA ASP 88 8.345 -5.854 -6.893 732 HB2 ASP 88 HB2 ASP 88 10.315 -6.278 -8.471 733 HB3 ASP 88 HB3 ASP 88 11.225 -5.116 -7.522 734 H LYS 89 H LYS 89 9.811 -2.640 -6.965 735 HA LYS 89 HA LYS 89 10.524 -2.419 -4.211 736 HB2 LYS 89 HB2 LYS 89 11.289 -0.883 -6.121 737 HB3 LYS 89 HB3 LYS 89 9.709 -0.121 -6.044 738 HG2 LYS 89 HG2 LYS 89 10.161 0.507 -3.662 739 HG3 LYS 89 HG3 LYS 89 11.779 -0.183 -3.817 740 HD2 LYS 89 HD2 LYS 89 10.684 2.164 -5.433 741 HD3 LYS 89 HD3 LYS 89 11.784 2.293 -4.061 742 HE2 LYS 89 HE2 LYS 89 12.421 0.883 -6.677 743 HE3 LYS 89 HE3 LYS 89 12.949 2.508 -6.246 744 HZ1 LYS 89 HZ1 LYS 89 13.664 0.036 -4.762 745 HZ2 LYS 89 HZ2 LYS 89 14.216 1.598 -4.427 746 HZ3 LYS 89 HZ3 LYS 89 14.659 0.837 -5.869 747 H VAL 90 H VAL 90 7.561 -1.811 -6.014 748 HA VAL 90 HA VAL 90 6.040 -0.604 -3.907 749 HB VAL 90 HB VAL 90 4.830 -2.071 -6.299 750 HG11 VAL 90 HG11 VAL 90 3.225 -1.302 -4.597 751 HG12 VAL 90 HG12 VAL 90 3.024 -0.394 -6.094 752 HG13 VAL 90 HG13 VAL 90 3.851 0.344 -4.720 753 HG21 VAL 90 HG21 VAL 90 6.579 -0.606 -7.213 754 HG22 VAL 90 HG22 VAL 90 5.929 0.773 -6.323 755 HG23 VAL 90 HG23 VAL 90 4.980 0.027 -7.611 756 H LYS 91 H LYS 91 6.292 -3.932 -5.192 757 HA LYS 91 HA LYS 91 4.281 -5.187 -3.683 758 HB2 LYS 91 HB2 LYS 91 6.838 -6.283 -4.920 759 HB3 LYS 91 HB3 LYS 91 5.714 -7.330 -4.047 760 HG2 LYS 91 HG2 LYS 91 3.911 -6.596 -5.649 761 HG3 LYS 91 HG3 LYS 91 5.158 -5.760 -6.579 762 HD2 LYS 91 HD2 LYS 91 5.103 -8.748 -5.985 763 HD3 LYS 91 HD3 LYS 91 4.597 -8.004 -7.504 764 HE2 LYS 91 HE2 LYS 91 6.868 -7.235 -7.936 765 HE3 LYS 91 HE3 LYS 91 7.407 -7.798 -6.353 766 HZ1 LYS 91 HZ1 LYS 91 6.992 -10.055 -7.022 767 HZ2 LYS 91 HZ2 LYS 91 8.015 -9.310 -8.141 768 HZ3 LYS 91 HZ3 LYS 91 6.386 -9.548 -8.518 769 H LYS 92 H LYS 92 7.786 -4.915 -2.923 770 HA LYS 92 HA LYS 92 7.635 -6.666 -0.693 771 HB2 LYS 92 HB2 LYS 92 9.706 -6.338 -2.011 772 HB3 LYS 92 HB3 LYS 92 9.831 -4.701 -1.391 773 HG2 LYS 92 HG2 LYS 92 11.338 -6.109 -0.127 774 HG3 LYS 92 HG3 LYS 92 10.001 -5.602 0.917 775 HD2 LYS 92 HD2 LYS 92 8.885 -7.855 0.325 776 HD3 LYS 92 HD3 LYS 92 10.448 -8.331 -0.348 777 HE2 LYS 92 HE2 LYS 92 9.925 -7.490 2.525 778 HE3 LYS 92 HE3 LYS 92 10.143 -9.146 1.961 779 HZ1 LYS 92 HZ1 LYS 92 12.150 -8.294 2.941 780 HZ2 LYS 92 HZ2 LYS 92 12.178 -6.987 1.868 781 HZ3 LYS 92 HZ3 LYS 92 12.396 -8.562 1.289 782 H LYS 93 H LYS 93 7.633 -3.129 -0.957 783 HA LYS 93 HA LYS 93 7.686 -2.497 1.794 784 HB2 LYS 93 HB2 LYS 93 6.924 -1.052 -0.697 785 HB3 LYS 93 HB3 LYS 93 6.122 -0.466 0.741 786 HG2 LYS 93 HG2 LYS 93 7.943 0.933 0.670 787 HG3 LYS 93 HG3 LYS 93 8.535 -0.313 1.762 788 HD2 LYS 93 HD2 LYS 93 9.153 -0.299 -1.213 789 HD3 LYS 93 HD3 LYS 93 10.147 0.547 -0.033 790 HE2 LYS 93 HE2 LYS 93 10.541 -1.645 1.119 791 HE3 LYS 93 HE3 LYS 93 9.656 -2.446 -0.179 792 HZ1 LYS 93 HZ1 LYS 93 12.071 -2.496 -0.472 793 HZ2 LYS 93 HZ2 LYS 93 12.094 -0.806 -0.572 794 HZ3 LYS 93 HZ3 LYS 93 11.284 -1.711 -1.745 795 H LEU 94 H LEU 94 4.929 -3.298 -0.337 796 HA LEU 94 HA LEU 94 2.864 -2.871 1.581 797 HB2 LEU 94 HB2 LEU 94 2.534 -3.017 -0.901 798 HB3 LEU 94 HB3 LEU 94 2.846 -4.742 -0.810 799 HG LEU 94 HG LEU 94 0.823 -4.945 0.725 800 HD11 LEU 94 HD11 LEU 94 -0.822 -3.116 0.747 801 HD12 LEU 94 HD12 LEU 94 0.307 -2.074 -0.123 802 HD13 LEU 94 HD13 LEU 94 0.692 -2.628 1.509 803 HD21 LEU 94 HD21 LEU 94 0.689 -5.561 -1.635 804 HD22 LEU 94 HD22 LEU 94 0.317 -3.891 -2.073 805 HD23 LEU 94 HD23 LEU 94 -0.821 -4.825 -1.100 806 H ASP 95 H ASP 95 4.710 -5.757 0.649 807 HA ASP 95 HA ASP 95 3.601 -7.658 2.410 808 HB2 ASP 95 HB2 ASP 95 6.306 -7.360 1.075 809 HB3 ASP 95 HB3 ASP 95 5.996 -8.708 2.154 810 H MET 96 H MET 96 6.090 -5.232 2.890 811 HA MET 96 HA MET 96 6.910 -5.982 5.512 812 HB2 MET 96 HB2 MET 96 8.429 -4.690 4.223 813 HB3 MET 96 HB3 MET 96 7.217 -3.488 3.824 814 HG2 MET 96 HG2 MET 96 8.865 -2.622 5.414 815 HG3 MET 96 HG3 MET 96 7.256 -2.661 6.139 816 HE1 MET 96 HE1 MET 96 9.491 -2.230 8.134 817 HE2 MET 96 HE2 MET 96 9.263 -3.502 9.332 818 HE3 MET 96 HE3 MET 96 7.865 -2.653 8.680 819 H VAL 97 H VAL 97 4.255 -3.929 4.300 820 HA VAL 97 HA VAL 97 3.492 -2.711 6.759 821 HB VAL 97 HB VAL 97 1.641 -3.510 4.458 822 HG11 VAL 97 HG11 VAL 97 1.250 -1.397 6.617 823 HG12 VAL 97 HG12 VAL 97 0.374 -2.922 6.483 824 HG13 VAL 97 HG13 VAL 97 0.167 -1.679 5.250 825 HG21 VAL 97 HG21 VAL 97 3.472 -2.125 3.609 826 HG22 VAL 97 HG22 VAL 97 3.170 -0.909 4.851 827 HG23 VAL 97 HG23 VAL 97 1.965 -1.209 3.595 828 H THR 98 H THR 98 2.590 -5.793 5.257 829 HA THR 98 HA THR 98 0.826 -6.782 7.258 830 HB THR 98 HB THR 98 2.561 -8.319 5.267 831 HG1 THR 98 HG1 THR 98 1.145 -7.645 3.853 832 HG21 THR 98 HG21 THR 98 0.080 -9.250 6.776 833 HG22 THR 98 HG22 THR 98 1.724 -9.825 7.054 834 HG23 THR 98 HG23 THR 98 0.918 -10.162 5.522 835 H ARG 99 H ARG 99 4.312 -7.353 6.685 836 HA ARG 99 HA ARG 99 4.766 -9.012 8.950 837 HB2 ARG 99 HB2 ARG 99 6.687 -7.515 7.145 838 HB3 ARG 99 HB3 ARG 99 7.225 -8.582 8.445 839 HG2 ARG 99 HG2 ARG 99 6.036 -10.472 7.393 840 HG3 ARG 99 HG3 ARG 99 5.497 -9.410 6.090 841 HD2 ARG 99 HD2 ARG 99 7.850 -9.040 5.427 842 HD3 ARG 99 HD3 ARG 99 8.385 -10.117 6.725 843 HE ARG 99 HE ARG 99 6.818 -11.784 5.453 844 HH11 ARG 99 HH11 ARG 99 8.960 -9.510 3.974 845 HH12 ARG 99 HH12 ARG 99 9.213 -10.507 2.584 846 HH21 ARG 99 HH21 ARG 99 7.174 -13.033 3.671 847 HH22 ARG 99 HH22 ARG 99 8.226 -12.472 2.419 848 H GLU 100 H GLU 100 4.728 -5.557 8.605 849 HA GLU 100 HA GLU 100 6.132 -4.710 10.886 850 HB2 GLU 100 HB2 GLU 100 5.373 -3.160 9.159 851 HB3 GLU 100 HB3 GLU 100 3.690 -3.537 9.495 852 HG2 GLU 100 HG2 GLU 100 4.299 -1.353 10.382 853 HG3 GLU 100 HG3 GLU 100 3.848 -2.461 11.678 854 H LEU 101 H LEU 101 2.692 -5.562 10.494 855 HA LEU 101 HA LEU 101 1.979 -5.361 13.259 856 HB2 LEU 101 HB2 LEU 101 0.313 -5.156 11.449 857 HB3 LEU 101 HB3 LEU 101 0.615 -6.816 10.964 858 HG LEU 101 HG LEU 101 -0.313 -7.610 13.151 859 HD11 LEU 101 HD11 LEU 101 -1.031 -4.704 13.656 860 HD12 LEU 101 HD12 LEU 101 0.163 -5.648 14.549 861 HD13 LEU 101 HD13 LEU 101 -1.540 -6.090 14.626 862 HD21 LEU 101 HD21 LEU 101 -2.214 -5.830 11.594 863 HD22 LEU 101 HD22 LEU 101 -2.663 -7.177 12.645 864 HD23 LEU 101 HD23 LEU 101 -1.756 -7.482 11.168 865 H ASP 102 H ASP 102 3.160 -7.987 11.211 866 HA ASP 102 HA ASP 102 2.672 -10.233 12.824 867 HB2 ASP 102 HB2 ASP 102 3.402 -10.301 10.452 868 HB3 ASP 102 HB3 ASP 102 4.989 -9.710 10.913 869 H LYS 103 H LYS 103 5.695 -8.296 12.614 870 HA LYS 103 HA LYS 103 6.948 -9.509 14.891 871 HB2 LYS 103 HB2 LYS 103 8.723 -7.837 14.593 872 HB3 LYS 103 HB3 LYS 103 8.290 -8.571 13.055 873 HG2 LYS 103 HG2 LYS 103 6.955 -6.569 12.472 874 HG3 LYS 103 HG3 LYS 103 7.403 -5.825 14.011 875 HD2 LYS 103 HD2 LYS 103 9.789 -5.853 13.328 876 HD3 LYS 103 HD3 LYS 103 9.346 -6.617 11.798 877 HE2 LYS 103 HE2 LYS 103 9.723 -4.196 11.525 878 HE3 LYS 103 HE3 LYS 103 8.053 -4.627 11.160 879 HZ1 LYS 103 HZ1 LYS 103 9.002 -3.456 13.714 880 HZ2 LYS 103 HZ2 LYS 103 7.398 -3.841 13.334 881 HZ3 LYS 103 HZ3 LYS 103 8.196 -2.621 12.484 882 H LYS 104 H LYS 104 4.691 -6.886 14.550 883 HA LYS 104 HA LYS 104 5.125 -5.543 17.022 884 HB2 LYS 104 HB2 LYS 104 3.758 -4.581 15.199 885 HB3 LYS 104 HB3 LYS 104 2.549 -5.841 15.433 886 HG2 LYS 104 HG2 LYS 104 2.144 -4.991 17.735 887 HG3 LYS 104 HG3 LYS 104 3.310 -3.697 17.445 888 HD2 LYS 104 HD2 LYS 104 1.888 -2.829 15.628 889 HD3 LYS 104 HD3 LYS 104 0.726 -4.134 15.895 890 HE2 LYS 104 HE2 LYS 104 1.447 -1.930 17.861 891 HE3 LYS 104 HE3 LYS 104 -0.063 -2.081 16.963 892 HZ1 LYS 104 HZ1 LYS 104 -0.294 -2.834 19.241 893 HZ2 LYS 104 HZ2 LYS 104 0.920 -3.995 19.013 894 HZ3 LYS 104 HZ3 LYS 104 -0.535 -4.116 18.166 895 H VAL 105 H VAL 105 3.046 -8.296 16.111 896 HA VAL 105 HA VAL 105 1.851 -8.801 18.635 897 HB VAL 105 HB VAL 105 2.423 -10.758 16.355 898 HG11 VAL 105 HG11 VAL 105 1.932 -11.993 18.429 899 HG12 VAL 105 HG12 VAL 105 0.596 -12.152 17.291 900 HG13 VAL 105 HG13 VAL 105 0.456 -11.051 18.664 901 HG21 VAL 105 HG21 VAL 105 0.095 -10.334 15.636 902 HG22 VAL 105 HG22 VAL 105 1.042 -8.847 15.622 903 HG23 VAL 105 HG23 VAL 105 -0.100 -9.149 16.932 904 H SER 106 H SER 106 4.973 -9.730 17.267 905 HA SER 106 HA SER 106 5.765 -11.700 19.148 906 HB2 SER 106 HB2 SER 106 7.546 -9.811 17.551 907 HB3 SER 106 HB3 SER 106 8.069 -11.295 18.347 908 HG SER 106 HG SER 106 7.184 -11.049 15.906 909 H GLY 107 H GLY 107 7.260 -11.555 20.916 910 HA2 GLY 107 HA2 GLY 107 8.571 -10.364 22.529 911 HA3 GLY 107 HA3 GLY 107 7.665 -8.898 22.195 912 H SER 108 H SER 108 5.462 -8.756 22.988 913 HA SER 108 HA SER 108 4.230 -10.664 24.691 914 HB2 SER 108 HB2 SER 108 5.946 -10.096 26.342 915 HB3 SER 108 HB3 SER 108 5.657 -8.372 26.127 916 HG SER 108 HG SER 108 4.434 -10.072 27.797 917 H TYR 109 H TYR 109 4.619 -7.123 24.451 918 HA TYR 109 HA TYR 109 3.262 -5.372 24.183 919 HB2 TYR 109 HB2 TYR 109 2.213 -6.490 22.295 920 HB3 TYR 109 HB3 TYR 109 1.152 -7.392 23.365 921 HD1 TYR 109 HD1 TYR 109 1.999 -3.797 22.558 922 HD2 TYR 109 HD2 TYR 109 -1.061 -6.603 23.587 923 HE1 TYR 109 HE1 TYR 109 0.297 -2.032 22.335 924 HE2 TYR 109 HE2 TYR 109 -2.753 -4.837 23.361 925 HH TYR 109 HH TYR 109 -2.152 -1.871 21.881 926 H LEU 110 H LEU 110 1.998 -7.948 26.279 927 HA LEU 110 HA LEU 110 0.240 -6.405 27.864 928 HB2 LEU 110 HB2 LEU 110 1.802 -8.948 28.432 929 HB3 LEU 110 HB3 LEU 110 0.856 -8.182 29.696 930 HG LEU 110 HG LEU 110 -1.198 -8.439 28.254 931 HD11 LEU 110 HD11 LEU 110 -1.177 -10.005 26.370 932 HD12 LEU 110 HD12 LEU 110 0.579 -10.150 26.493 933 HD13 LEU 110 HD13 LEU 110 -0.152 -8.605 26.050 934 HD21 LEU 110 HD21 LEU 110 0.228 -11.027 28.974 935 HD22 LEU 110 HD22 LEU 110 -1.509 -10.832 28.726 936 HD23 LEU 110 HD23 LEU 110 -0.720 -10.022 30.076 937 H VAL 111 H VAL 111 3.707 -7.154 28.296 938 HA VAL 111 HA VAL 111 3.943 -4.978 30.277 939 HB VAL 111 HB VAL 111 6.201 -5.925 30.816 940 HG11 VAL 111 HG11 VAL 111 5.370 -7.892 32.077 941 HG12 VAL 111 HG12 VAL 111 3.896 -7.898 31.106 942 HG13 VAL 111 HG13 VAL 111 4.240 -6.539 32.178 943 HG21 VAL 111 HG21 VAL 111 6.815 -8.209 30.040 944 HG22 VAL 111 HG22 VAL 111 6.717 -7.082 28.688 945 HG23 VAL 111 HG23 VAL 111 5.406 -8.228 28.972 946 HA PRO 112 HA PRO 112 6.104 -2.661 26.944 947 HB2 PRO 112 HB2 PRO 112 5.758 -0.274 28.626 948 HB3 PRO 112 HB3 PRO 112 5.016 -0.632 27.066 949 HG2 PRO 112 HG2 PRO 112 3.593 -0.535 29.403 950 HG3 PRO 112 HG3 PRO 112 3.124 -1.558 28.029 951 HD2 PRO 112 HD2 PRO 112 4.626 -2.330 30.540 952 HD3 PRO 112 HD3 PRO 112 3.275 -3.168 29.737 953 H ARG 113 H ARG 113 8.097 -1.362 26.935 954 HA ARG 113 HA ARG 113 10.170 -0.694 27.479 955 HB2 ARG 113 HB2 ARG 113 9.199 0.401 29.444 956 HB3 ARG 113 HB3 ARG 113 9.318 -1.077 30.379 957 HG2 ARG 113 HG2 ARG 113 11.041 0.614 30.960 958 HG3 ARG 113 HG3 ARG 113 11.732 -0.923 30.450 959 HD2 ARG 113 HD2 ARG 113 11.390 1.195 28.342 960 HD3 ARG 113 HD3 ARG 113 12.652 1.446 29.550 961 HE ARG 113 HE ARG 113 13.227 -1.026 28.780 962 HH11 ARG 113 HH11 ARG 113 12.347 1.603 26.695 963 HH12 ARG 113 HH12 ARG 113 13.458 1.115 25.466 964 HH21 ARG 113 HH21 ARG 113 14.628 -1.608 27.197 965 HH22 ARG 113 HH22 ARG 113 14.731 -0.672 25.746 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -14.182 9.064 29.235 2 H2 MET 1 H2 MET 1 -15.610 8.311 29.721 3 H3 MET 1 H3 MET 1 -15.589 9.980 29.446 4 HA MET 1 HA MET 1 -16.658 8.865 27.626 5 HB2 MET 1 HB2 MET 1 -13.892 9.895 26.849 6 HB3 MET 1 HB3 MET 1 -15.264 9.749 25.755 7 HG2 MET 1 HG2 MET 1 -15.008 12.055 26.409 8 HG3 MET 1 HG3 MET 1 -16.492 11.427 27.131 9 HE1 MET 1 HE1 MET 1 -15.296 13.937 29.888 10 HE2 MET 1 HE2 MET 1 -16.675 13.377 28.942 11 HE3 MET 1 HE3 MET 1 -15.298 14.133 28.137 12 H GLY 2 H GLY 2 -16.312 7.490 25.616 13 HA2 GLY 2 HA2 GLY 2 -14.309 5.344 25.892 14 HA3 GLY 2 HA3 GLY 2 -16.001 4.884 26.019 15 H SER 3 H SER 3 -13.470 5.031 23.901 16 HA SER 3 HA SER 3 -15.032 5.536 21.452 17 HB2 SER 3 HB2 SER 3 -12.698 6.417 21.643 18 HB3 SER 3 HB3 SER 3 -12.093 4.771 21.791 19 HG SER 3 HG SER 3 -12.082 5.853 19.631 20 H HIS 4 H HIS 4 -14.590 3.866 19.613 21 HA HIS 4 HA HIS 4 -15.490 1.242 20.556 22 HB2 HIS 4 HB2 HIS 4 -15.266 2.354 17.723 23 HB3 HIS 4 HB3 HIS 4 -15.941 0.781 18.141 24 HD1 HIS 4 HD1 HIS 4 -18.201 0.826 19.554 25 HD2 HIS 4 HD2 HIS 4 -17.042 4.474 17.939 26 HE1 HIS 4 HE1 HIS 4 -20.240 2.281 19.655 27 HE2 HIS 4 HE2 HIS 4 -19.458 4.530 18.857 28 H GLN 5 H GLN 5 -13.792 0.044 21.299 29 HA GLN 5 HA GLN 5 -11.184 -0.049 20.126 30 HB2 GLN 5 HB2 GLN 5 -12.536 -1.912 22.122 31 HB3 GLN 5 HB3 GLN 5 -10.835 -2.018 21.673 32 HG2 GLN 5 HG2 GLN 5 -12.165 0.350 23.031 33 HG3 GLN 5 HG3 GLN 5 -11.164 -0.864 23.826 34 HE21 GLN 5 HE21 GLN 5 -10.784 2.039 23.651 35 HE22 GLN 5 HE22 GLN 5 -9.238 2.276 22.931 36 H GLU 6 H GLU 6 -14.105 -1.961 19.693 37 HA GLU 6 HA GLU 6 -13.064 -4.144 18.229 38 HB2 GLU 6 HB2 GLU 6 -15.363 -4.010 19.214 39 HB3 GLU 6 HB3 GLU 6 -15.816 -2.855 17.970 40 HG2 GLU 6 HG2 GLU 6 -16.671 -5.073 17.439 41 HG3 GLU 6 HG3 GLU 6 -15.482 -4.575 16.236 42 H TYR 7 H TYR 7 -13.994 -0.892 17.233 43 HA TYR 7 HA TYR 7 -13.694 -1.174 14.404 44 HB2 TYR 7 HB2 TYR 7 -14.927 0.715 15.363 45 HB3 TYR 7 HB3 TYR 7 -13.509 1.259 16.239 46 HD1 TYR 7 HD1 TYR 7 -15.063 1.034 12.865 47 HD2 TYR 7 HD2 TYR 7 -11.817 2.648 15.134 48 HE1 TYR 7 HE1 TYR 7 -14.481 2.513 10.991 49 HE2 TYR 7 HE2 TYR 7 -11.242 4.133 13.260 50 HH TYR 7 HH TYR 7 -13.299 4.633 10.587 51 H ILE 8 H ILE 8 -11.444 -0.165 16.998 52 HA ILE 8 HA ILE 8 -9.192 0.460 15.415 53 HB ILE 8 HB ILE 8 -9.270 -0.624 18.267 54 HG12 ILE 8 HG12 ILE 8 -10.568 1.464 18.065 55 HG13 ILE 8 HG13 ILE 8 -9.094 1.767 18.975 56 HG21 ILE 8 HG21 ILE 8 -6.984 0.800 16.848 57 HG22 ILE 8 HG22 ILE 8 -7.016 -0.892 17.355 58 HG23 ILE 8 HG23 ILE 8 -7.024 0.391 18.567 59 HD11 ILE 8 HD11 ILE 8 -8.083 2.778 16.979 60 HD12 ILE 8 HD12 ILE 8 -9.571 3.588 17.463 61 HD13 ILE 8 HD13 ILE 8 -9.578 2.491 16.083 62 H LYS 9 H LYS 9 -10.137 -2.604 16.950 63 HA LYS 9 HA LYS 9 -8.143 -4.342 16.000 64 HB2 LYS 9 HB2 LYS 9 -11.102 -4.876 16.473 65 HB3 LYS 9 HB3 LYS 9 -9.878 -6.125 16.286 66 HG2 LYS 9 HG2 LYS 9 -8.858 -5.561 18.385 67 HG3 LYS 9 HG3 LYS 9 -9.815 -4.082 18.522 68 HD2 LYS 9 HD2 LYS 9 -10.692 -5.890 19.993 69 HD3 LYS 9 HD3 LYS 9 -11.874 -5.376 18.789 70 HE2 LYS 9 HE2 LYS 9 -11.179 -7.371 17.381 71 HE3 LYS 9 HE3 LYS 9 -10.197 -7.916 18.743 72 HZ1 LYS 9 HZ1 LYS 9 -12.261 -7.944 20.078 73 HZ2 LYS 9 HZ2 LYS 9 -12.289 -9.020 18.773 74 HZ3 LYS 9 HZ3 LYS 9 -13.141 -7.562 18.681 75 H LYS 10 H LYS 10 -11.184 -3.248 14.503 76 HA LYS 10 HA LYS 10 -11.299 -5.097 12.372 77 HB2 LYS 10 HB2 LYS 10 -13.071 -3.246 13.344 78 HB3 LYS 10 HB3 LYS 10 -12.526 -2.382 11.920 79 HG2 LYS 10 HG2 LYS 10 -14.478 -3.551 11.248 80 HG3 LYS 10 HG3 LYS 10 -13.120 -4.441 10.549 81 HD2 LYS 10 HD2 LYS 10 -14.667 -6.061 11.459 82 HD3 LYS 10 HD3 LYS 10 -13.240 -6.034 12.498 83 HE2 LYS 10 HE2 LYS 10 -14.455 -4.566 14.101 84 HE3 LYS 10 HE3 LYS 10 -15.892 -4.662 13.079 85 HZ1 LYS 10 HZ1 LYS 10 -16.110 -6.220 14.826 86 HZ2 LYS 10 HZ2 LYS 10 -14.574 -6.868 14.560 87 HZ3 LYS 10 HZ3 LYS 10 -15.803 -7.113 13.423 88 H VAL 11 H VAL 11 -10.190 -1.717 12.436 89 HA VAL 11 HA VAL 11 -9.536 -1.397 9.728 90 HB VAL 11 HB VAL 11 -8.425 0.075 12.158 91 HG11 VAL 11 HG11 VAL 11 -6.988 0.513 10.209 92 HG12 VAL 11 HG12 VAL 11 -7.920 1.953 10.620 93 HG13 VAL 11 HG13 VAL 11 -8.401 0.954 9.246 94 HG21 VAL 11 HG21 VAL 11 -10.770 0.764 10.347 95 HG22 VAL 11 HG22 VAL 11 -10.167 1.766 11.671 96 HG23 VAL 11 HG23 VAL 11 -10.881 0.190 12.012 97 H THR 12 H THR 12 -7.701 -2.848 12.320 98 HA THR 12 HA THR 12 -5.138 -2.975 11.082 99 HB THR 12 HB THR 12 -6.338 -4.881 13.144 100 HG1 THR 12 HG1 THR 12 -6.364 -2.824 13.998 101 HG21 THR 12 HG21 THR 12 -3.996 -5.339 13.793 102 HG22 THR 12 HG22 THR 12 -3.423 -4.298 12.489 103 HG23 THR 12 HG23 THR 12 -4.282 -5.792 12.111 104 H ASP 13 H ASP 13 -7.926 -5.207 11.111 105 HA ASP 13 HA ASP 13 -6.707 -7.184 9.382 106 HB2 ASP 13 HB2 ASP 13 -8.408 -7.769 11.118 107 HB3 ASP 13 HB3 ASP 13 -9.615 -6.827 10.250 108 H GLU 14 H GLU 14 -8.851 -4.393 8.891 109 HA GLU 14 HA GLU 14 -9.514 -4.850 6.147 110 HB2 GLU 14 HB2 GLU 14 -9.396 -2.205 7.674 111 HB3 GLU 14 HB3 GLU 14 -10.196 -2.455 6.121 112 HG2 GLU 14 HG2 GLU 14 -11.761 -4.050 7.219 113 HG3 GLU 14 HG3 GLU 14 -10.979 -3.749 8.759 114 H LEU 15 H LEU 15 -6.837 -3.324 7.803 115 HA LEU 15 HA LEU 15 -5.321 -2.361 5.642 116 HB2 LEU 15 HB2 LEU 15 -4.787 -1.718 7.873 117 HB3 LEU 15 HB3 LEU 15 -4.636 -3.370 8.413 118 HG LEU 15 HG LEU 15 -2.609 -2.381 6.400 119 HD11 LEU 15 HD11 LEU 15 -2.708 -0.520 8.009 120 HD12 LEU 15 HD12 LEU 15 -1.196 -1.408 8.179 121 HD13 LEU 15 HD13 LEU 15 -2.497 -1.647 9.351 122 HD21 LEU 15 HD21 LEU 15 -2.512 -4.735 7.145 123 HD22 LEU 15 HD22 LEU 15 -2.376 -4.214 8.825 124 HD23 LEU 15 HD23 LEU 15 -1.081 -3.853 7.681 125 H LYS 16 H LYS 16 -5.588 -5.650 7.017 126 HA LYS 16 HA LYS 16 -3.577 -6.908 5.417 127 HB2 LYS 16 HB2 LYS 16 -6.063 -8.238 6.591 128 HB3 LYS 16 HB3 LYS 16 -4.578 -9.041 6.082 129 HG2 LYS 16 HG2 LYS 16 -4.956 -7.202 8.464 130 HG3 LYS 16 HG3 LYS 16 -4.640 -8.939 8.478 131 HD2 LYS 16 HD2 LYS 16 -2.409 -8.459 7.392 132 HD3 LYS 16 HD3 LYS 16 -2.750 -6.739 7.609 133 HE2 LYS 16 HE2 LYS 16 -1.297 -7.549 9.400 134 HE3 LYS 16 HE3 LYS 16 -2.867 -7.076 10.054 135 HZ1 LYS 16 HZ1 LYS 16 -3.506 -9.415 10.081 136 HZ2 LYS 16 HZ2 LYS 16 -2.112 -9.157 11.001 137 HZ3 LYS 16 HZ3 LYS 16 -1.995 -9.858 9.467 138 H GLU 17 H GLU 17 -7.111 -6.679 5.058 139 HA GLU 17 HA GLU 17 -7.514 -7.971 2.601 140 HB2 GLU 17 HB2 GLU 17 -9.040 -5.584 3.717 141 HB3 GLU 17 HB3 GLU 17 -9.622 -6.675 2.455 142 HG2 GLU 17 HG2 GLU 17 -9.563 -8.548 4.114 143 HG3 GLU 17 HG3 GLU 17 -9.090 -7.391 5.360 144 H LEU 18 H LEU 18 -6.360 -4.818 3.336 145 HA LEU 18 HA LEU 18 -6.717 -3.663 0.749 146 HB2 LEU 18 HB2 LEU 18 -6.523 -2.625 3.200 147 HB3 LEU 18 HB3 LEU 18 -4.817 -2.563 2.820 148 HG LEU 18 HG LEU 18 -5.173 -1.006 1.019 149 HD11 LEU 18 HD11 LEU 18 -8.145 -1.521 1.371 150 HD12 LEU 18 HD12 LEU 18 -7.138 -1.997 -0.002 151 HD13 LEU 18 HD13 LEU 18 -7.435 -0.289 0.317 152 HD21 LEU 18 HD21 LEU 18 -6.959 -0.222 3.355 153 HD22 LEU 18 HD22 LEU 18 -6.218 0.879 2.190 154 HD23 LEU 18 HD23 LEU 18 -5.203 -0.042 3.293 155 H ILE 19 H ILE 19 -3.862 -4.774 2.589 156 HA ILE 19 HA ILE 19 -1.851 -4.531 0.648 157 HB ILE 19 HB ILE 19 -2.227 -6.582 2.882 158 HG12 ILE 19 HG12 ILE 19 -0.379 -4.150 2.862 159 HG13 ILE 19 HG13 ILE 19 -2.017 -4.090 3.497 160 HG21 ILE 19 HG21 ILE 19 0.196 -7.086 2.760 161 HG22 ILE 19 HG22 ILE 19 0.331 -6.085 1.315 162 HG23 ILE 19 HG23 ILE 19 -0.646 -7.553 1.279 163 HD11 ILE 19 HD11 ILE 19 -1.427 -5.788 5.170 164 HD12 ILE 19 HD12 ILE 19 -0.419 -4.342 5.279 165 HD13 ILE 19 HD13 ILE 19 0.227 -5.807 4.543 166 H GLN 20 H GLN 20 -4.220 -7.122 1.159 167 HA GLN 20 HA GLN 20 -3.243 -8.961 -0.782 168 HB2 GLN 20 HB2 GLN 20 -4.734 -9.560 1.140 169 HB3 GLN 20 HB3 GLN 20 -6.062 -8.714 0.364 170 HG2 GLN 20 HG2 GLN 20 -4.667 -11.019 -1.019 171 HG3 GLN 20 HG3 GLN 20 -5.912 -11.320 0.187 172 HE21 GLN 20 HE21 GLN 20 -5.879 -11.952 -2.686 173 HE22 GLN 20 HE22 GLN 20 -7.284 -11.202 -3.343 174 H ASN 21 H ASN 21 -5.936 -6.575 -0.924 175 HA ASN 21 HA ASN 21 -6.759 -7.075 -3.578 176 HB2 ASN 21 HB2 ASN 21 -7.071 -4.669 -1.761 177 HB3 ASN 21 HB3 ASN 21 -7.626 -4.583 -3.426 178 HD21 ASN 21 HD21 ASN 21 -7.839 -7.464 -1.347 179 HD22 ASN 21 HD22 ASN 21 -9.555 -7.465 -1.273 180 H VAL 22 H VAL 22 -4.511 -4.615 -2.334 181 HA VAL 22 HA VAL 22 -3.791 -3.423 -4.776 182 HB VAL 22 HB VAL 22 -2.270 -3.638 -2.144 183 HG11 VAL 22 HG11 VAL 22 -0.608 -3.272 -3.919 184 HG12 VAL 22 HG12 VAL 22 -0.804 -1.817 -2.946 185 HG13 VAL 22 HG13 VAL 22 -1.547 -1.914 -4.546 186 HG21 VAL 22 HG21 VAL 22 -2.947 -1.269 -1.886 187 HG22 VAL 22 HG22 VAL 22 -4.341 -2.340 -2.029 188 HG23 VAL 22 HG23 VAL 22 -3.835 -1.363 -3.410 189 H ASN 23 H ASN 23 -2.275 -6.183 -3.027 190 HA ASN 23 HA ASN 23 -0.115 -6.613 -4.796 191 HB2 ASN 23 HB2 ASN 23 -1.067 -7.900 -2.453 192 HB3 ASN 23 HB3 ASN 23 -1.148 -9.158 -3.670 193 HD21 ASN 23 HD21 ASN 23 0.854 -7.521 -1.519 194 HD22 ASN 23 HD22 ASN 23 2.370 -8.145 -2.061 195 H ASP 24 H ASP 24 -3.466 -7.678 -4.903 196 HA ASP 24 HA ASP 24 -3.267 -9.459 -7.123 197 HB2 ASP 24 HB2 ASP 24 -5.073 -9.578 -5.410 198 HB3 ASP 24 HB3 ASP 24 -5.707 -8.039 -5.985 199 H ASP 25 H ASP 25 -4.085 -6.008 -6.817 200 HA ASP 25 HA ASP 25 -4.597 -5.491 -9.574 201 HB2 ASP 25 HB2 ASP 25 -3.680 -3.631 -7.345 202 HB3 ASP 25 HB3 ASP 25 -4.164 -3.075 -8.943 203 H ILE 26 H ILE 26 -1.655 -5.484 -7.613 204 HA ILE 26 HA ILE 26 0.137 -4.323 -9.471 205 HB ILE 26 HB ILE 26 0.641 -6.153 -7.093 206 HG12 ILE 26 HG12 ILE 26 1.181 -3.166 -7.447 207 HG13 ILE 26 HG13 ILE 26 -0.193 -3.843 -6.586 208 HG21 ILE 26 HG21 ILE 26 3.052 -5.560 -7.256 209 HG22 ILE 26 HG22 ILE 26 2.742 -4.796 -8.810 210 HG23 ILE 26 HG23 ILE 26 2.500 -6.532 -8.617 211 HD11 ILE 26 HD11 ILE 26 1.335 -4.820 -4.932 212 HD12 ILE 26 HD12 ILE 26 1.496 -3.069 -5.050 213 HD13 ILE 26 HD13 ILE 26 2.707 -4.113 -5.794 214 H LYS 27 H LYS 27 -0.889 -7.692 -8.950 215 HA LYS 27 HA LYS 27 0.842 -9.121 -10.598 216 HB2 LYS 27 HB2 LYS 27 -2.128 -9.491 -10.100 217 HB3 LYS 27 HB3 LYS 27 -1.154 -10.683 -10.952 218 HG2 LYS 27 HG2 LYS 27 0.094 -11.229 -8.998 219 HG3 LYS 27 HG3 LYS 27 -0.459 -9.785 -8.146 220 HD2 LYS 27 HD2 LYS 27 -1.582 -11.823 -7.306 221 HD3 LYS 27 HD3 LYS 27 -2.727 -10.680 -8.001 222 HE2 LYS 27 HE2 LYS 27 -2.648 -12.063 -10.137 223 HE3 LYS 27 HE3 LYS 27 -1.737 -13.271 -9.225 224 HZ1 LYS 27 HZ1 LYS 27 -3.606 -13.407 -7.679 225 HZ2 LYS 27 HZ2 LYS 27 -4.069 -13.795 -9.257 226 HZ3 LYS 27 HZ3 LYS 27 -4.467 -12.284 -8.608 227 H GLU 28 H GLU 28 -1.962 -7.183 -11.517 228 HA GLU 28 HA GLU 28 -1.884 -7.834 -14.326 229 HB2 GLU 28 HB2 GLU 28 -3.358 -5.614 -12.859 230 HB3 GLU 28 HB3 GLU 28 -3.617 -6.074 -14.543 231 HG2 GLU 28 HG2 GLU 28 -4.163 -7.785 -12.091 232 HG3 GLU 28 HG3 GLU 28 -5.367 -7.004 -13.115 233 H VAL 29 H VAL 29 -0.421 -5.341 -12.313 234 HA VAL 29 HA VAL 29 0.482 -3.713 -14.521 235 HB VAL 29 HB VAL 29 1.635 -3.748 -11.703 236 HG11 VAL 29 HG11 VAL 29 3.024 -2.624 -13.407 237 HG12 VAL 29 HG12 VAL 29 2.367 -1.475 -12.255 238 HG13 VAL 29 HG13 VAL 29 1.651 -1.606 -13.856 239 HG21 VAL 29 HG21 VAL 29 -0.776 -3.309 -11.519 240 HG22 VAL 29 HG22 VAL 29 -0.665 -2.053 -12.758 241 HG23 VAL 29 HG23 VAL 29 0.141 -1.828 -11.200 242 H GLU 30 H GLU 30 1.916 -6.321 -12.584 243 HA GLU 30 HA GLU 30 4.514 -6.416 -13.685 244 HB2 GLU 30 HB2 GLU 30 2.780 -8.696 -12.629 245 HB3 GLU 30 HB3 GLU 30 4.530 -8.784 -12.872 246 HG2 GLU 30 HG2 GLU 30 4.899 -7.054 -11.166 247 HG3 GLU 30 HG3 GLU 30 3.164 -6.864 -10.945 248 H LYS 31 H LYS 31 1.436 -7.347 -14.892 249 HA LYS 31 HA LYS 31 2.356 -8.777 -17.236 250 HB2 LYS 31 HB2 LYS 31 0.173 -9.136 -15.858 251 HB3 LYS 31 HB3 LYS 31 -0.431 -7.707 -16.688 252 HG2 LYS 31 HG2 LYS 31 0.003 -8.898 -18.863 253 HG3 LYS 31 HG3 LYS 31 0.405 -10.337 -17.914 254 HD2 LYS 31 HD2 LYS 31 -2.275 -8.884 -17.938 255 HD3 LYS 31 HD3 LYS 31 -1.932 -10.432 -18.715 256 HE2 LYS 31 HE2 LYS 31 -1.550 -11.473 -16.522 257 HE3 LYS 31 HE3 LYS 31 -1.784 -9.921 -15.714 258 HZ1 LYS 31 HZ1 LYS 31 -3.751 -11.290 -15.594 259 HZ2 LYS 31 HZ2 LYS 31 -3.839 -11.379 -17.281 260 HZ3 LYS 31 HZ3 LYS 31 -4.059 -9.897 -16.496 261 H ASN 32 H ASN 32 0.985 -5.589 -16.431 262 HA ASN 32 HA ASN 32 1.812 -4.406 -19.001 263 HB2 ASN 32 HB2 ASN 32 -1.009 -4.306 -17.858 264 HB3 ASN 32 HB3 ASN 32 -0.442 -3.184 -19.086 265 HD21 ASN 32 HD21 ASN 32 -0.005 -3.966 -21.182 266 HD22 ASN 32 HD22 ASN 32 -0.644 -5.471 -21.729 267 HA PRO 33 HA PRO 33 3.233 -1.912 -15.370 268 HB2 PRO 33 HB2 PRO 33 5.376 -0.697 -16.626 269 HB3 PRO 33 HB3 PRO 33 5.426 -2.323 -15.936 270 HG2 PRO 33 HG2 PRO 33 4.967 -1.489 -18.798 271 HG3 PRO 33 HG3 PRO 33 6.023 -2.772 -18.165 272 HD2 PRO 33 HD2 PRO 33 3.599 -3.339 -19.208 273 HD3 PRO 33 HD3 PRO 33 4.237 -4.249 -17.821 274 H GLU 34 H GLU 34 2.882 -0.441 -18.623 275 HA GLU 34 HA GLU 34 2.789 2.274 -17.579 276 HB2 GLU 34 HB2 GLU 34 2.356 1.256 -20.415 277 HB3 GLU 34 HB3 GLU 34 2.604 2.940 -19.949 278 HG2 GLU 34 HG2 GLU 34 4.627 0.720 -19.541 279 HG3 GLU 34 HG3 GLU 34 4.622 1.809 -20.926 280 H ASP 35 H ASP 35 0.450 -0.068 -17.637 281 HA ASP 35 HA ASP 35 -1.823 1.462 -18.509 282 HB2 ASP 35 HB2 ASP 35 -1.483 -1.196 -17.089 283 HB3 ASP 35 HB3 ASP 35 -3.079 -0.478 -17.314 284 H MET 36 H MET 36 -2.000 3.326 -17.454 285 HA MET 36 HA MET 36 -1.297 3.815 -14.752 286 HB2 MET 36 HB2 MET 36 -2.873 5.574 -16.658 287 HB3 MET 36 HB3 MET 36 -2.062 6.096 -15.199 288 HG2 MET 36 HG2 MET 36 -0.543 4.858 -17.497 289 HG3 MET 36 HG3 MET 36 -0.914 6.576 -17.429 290 HE1 MET 36 HE1 MET 36 2.130 4.418 -14.669 291 HE2 MET 36 HE2 MET 36 1.492 3.731 -16.162 292 HE3 MET 36 HE3 MET 36 0.456 3.865 -14.734 293 H GLU 37 H GLU 37 -4.378 3.213 -16.297 294 HA GLU 37 HA GLU 37 -6.163 4.045 -14.318 295 HB2 GLU 37 HB2 GLU 37 -6.810 3.377 -16.625 296 HB3 GLU 37 HB3 GLU 37 -6.479 1.699 -16.231 297 HG2 GLU 37 HG2 GLU 37 -8.849 2.019 -16.156 298 HG3 GLU 37 HG3 GLU 37 -8.290 1.785 -14.504 299 H TYR 38 H TYR 38 -4.424 0.942 -14.618 300 HA TYR 38 HA TYR 38 -5.586 -0.217 -12.264 301 HB2 TYR 38 HB2 TYR 38 -3.889 -1.177 -14.389 302 HB3 TYR 38 HB3 TYR 38 -3.081 -1.559 -12.869 303 HD1 TYR 38 HD1 TYR 38 -4.155 -3.071 -11.237 304 HD2 TYR 38 HD2 TYR 38 -6.055 -2.206 -14.959 305 HE1 TYR 38 HE1 TYR 38 -5.725 -4.918 -10.862 306 HE2 TYR 38 HE2 TYR 38 -7.622 -4.063 -14.594 307 HH TYR 38 HH TYR 38 -7.864 -5.688 -11.549 308 H TRP 39 H TRP 39 -2.711 1.770 -12.806 309 HA TRP 39 HA TRP 39 -1.720 1.525 -10.125 310 HB2 TRP 39 HB2 TRP 39 -1.156 3.474 -12.358 311 HB3 TRP 39 HB3 TRP 39 -0.582 3.838 -10.735 312 HD1 TRP 39 HD1 TRP 39 0.596 2.191 -13.774 313 HE1 TRP 39 HE1 TRP 39 2.605 0.679 -13.288 314 HE3 TRP 39 HE3 TRP 39 0.222 1.893 -8.665 315 HZ2 TRP 39 HZ2 TRP 39 3.852 -0.519 -11.058 316 HZ3 TRP 39 HZ3 TRP 39 1.863 0.524 -7.439 317 HH2 TRP 39 HH2 TRP 39 3.644 -0.659 -8.614 318 H ASN 40 H ASN 40 -4.225 3.565 -11.562 319 HA ASN 40 HA ASN 40 -4.695 5.315 -9.386 320 HB2 ASN 40 HB2 ASN 40 -6.704 4.119 -11.338 321 HB3 ASN 40 HB3 ASN 40 -7.036 5.481 -10.268 322 HD21 ASN 40 HD21 ASN 40 -7.026 5.236 -13.196 323 HD22 ASN 40 HD22 ASN 40 -5.962 6.460 -13.760 324 H LYS 41 H LYS 41 -6.019 2.076 -10.102 325 HA LYS 41 HA LYS 41 -7.573 1.552 -7.846 326 HB2 LYS 41 HB2 LYS 41 -5.738 -0.310 -9.410 327 HB3 LYS 41 HB3 LYS 41 -6.756 -0.903 -8.106 328 HG2 LYS 41 HG2 LYS 41 -7.820 0.513 -10.567 329 HG3 LYS 41 HG3 LYS 41 -7.679 -1.240 -10.419 330 HD2 LYS 41 HD2 LYS 41 -9.291 0.433 -8.443 331 HD3 LYS 41 HD3 LYS 41 -9.989 -0.198 -9.933 332 HE2 LYS 41 HE2 LYS 41 -10.529 -1.666 -8.050 333 HE3 LYS 41 HE3 LYS 41 -9.497 -2.506 -9.198 334 HZ1 LYS 41 HZ1 LYS 41 -7.655 -2.280 -7.744 335 HZ2 LYS 41 HZ2 LYS 41 -8.947 -2.869 -6.832 336 HZ3 LYS 41 HZ3 LYS 41 -8.499 -1.247 -6.708 337 H ILE 42 H ILE 42 -4.093 0.903 -8.192 338 HA ILE 42 HA ILE 42 -3.620 -0.058 -5.578 339 HB ILE 42 HB ILE 42 -1.751 1.107 -7.684 340 HG12 ILE 42 HG12 ILE 42 -2.240 -1.805 -6.900 341 HG13 ILE 42 HG13 ILE 42 -3.078 -1.001 -8.222 342 HG21 ILE 42 HG21 ILE 42 -0.602 1.316 -5.534 343 HG22 ILE 42 HG22 ILE 42 0.134 0.021 -6.476 344 HG23 ILE 42 HG23 ILE 42 -0.956 -0.367 -5.146 345 HD11 ILE 42 HD11 ILE 42 -0.958 -0.712 -9.390 346 HD12 ILE 42 HD12 ILE 42 -1.275 -2.406 -9.011 347 HD13 ILE 42 HD13 ILE 42 -0.110 -1.494 -8.054 348 H TYR 43 H TYR 43 -3.123 3.177 -6.981 349 HA TYR 43 HA TYR 43 -1.706 4.373 -4.887 350 HB2 TYR 43 HB2 TYR 43 -1.727 5.341 -7.128 351 HB3 TYR 43 HB3 TYR 43 -3.454 5.662 -7.023 352 HD1 TYR 43 HD2 TYR 43 -0.212 6.532 -5.321 353 HD2 TYR 43 HD1 TYR 43 -4.176 7.808 -6.294 354 HE1 TYR 43 HE2 TYR 43 0.256 8.741 -4.353 355 HE2 TYR 43 HE1 TYR 43 -3.702 10.014 -5.334 356 HH TYR 43 HH TYR 43 -2.147 11.013 -3.676 357 H ARG 44 H ARG 44 -5.217 4.438 -5.561 358 HA ARG 44 HA ARG 44 -5.880 6.184 -3.383 359 HB2 ARG 44 HB2 ARG 44 -7.664 4.343 -5.016 360 HB3 ARG 44 HB3 ARG 44 -8.239 5.596 -3.911 361 HG2 ARG 44 HG2 ARG 44 -7.126 7.323 -5.308 362 HG3 ARG 44 HG3 ARG 44 -6.580 6.060 -6.419 363 HD2 ARG 44 HD2 ARG 44 -9.475 6.785 -5.826 364 HD3 ARG 44 HD3 ARG 44 -8.574 7.229 -7.281 365 HE ARG 44 HE ARG 44 -9.251 4.436 -6.530 366 HH11 ARG 44 HH11 ARG 44 -8.796 6.839 -8.970 367 HH12 ARG 44 HH12 ARG 44 -9.307 5.789 -10.241 368 HH21 ARG 44 HH21 ARG 44 -9.850 3.094 -8.177 369 HH22 ARG 44 HH22 ARG 44 -9.899 3.690 -9.797 370 H LEU 45 H LEU 45 -5.583 2.692 -3.637 371 HA LEU 45 HA LEU 45 -6.800 2.116 -1.077 372 HB2 LEU 45 HB2 LEU 45 -4.993 0.400 -2.810 373 HB3 LEU 45 HB3 LEU 45 -5.896 -0.168 -1.414 374 HG LEU 45 HG LEU 45 -7.088 0.839 -4.028 375 HD11 LEU 45 HD11 LEU 45 -7.841 -1.464 -4.377 376 HD12 LEU 45 HD12 LEU 45 -7.029 -1.969 -2.891 377 HD13 LEU 45 HD13 LEU 45 -6.083 -1.373 -4.257 378 HD21 LEU 45 HD21 LEU 45 -8.548 1.465 -2.177 379 HD22 LEU 45 HD22 LEU 45 -8.538 -0.194 -1.572 380 HD23 LEU 45 HD23 LEU 45 -9.281 0.176 -3.131 381 H VAL 46 H VAL 46 -3.460 2.603 -2.251 382 HA VAL 46 HA VAL 46 -2.157 2.157 0.271 383 HB VAL 46 HB VAL 46 -1.175 3.643 -2.209 384 HG11 VAL 46 HG11 VAL 46 1.116 3.431 -1.251 385 HG12 VAL 46 HG12 VAL 46 0.429 2.784 0.239 386 HG13 VAL 46 HG13 VAL 46 0.081 4.445 -0.244 387 HG21 VAL 46 HG21 VAL 46 0.133 1.581 -2.651 388 HG22 VAL 46 HG22 VAL 46 -1.596 1.237 -2.600 389 HG23 VAL 46 HG23 VAL 46 -0.576 0.821 -1.222 390 H HIS 47 H HIS 47 -3.620 4.961 -1.276 391 HA HIS 47 HA HIS 47 -2.996 7.022 0.504 392 HB2 HIS 47 HB2 HIS 47 -4.239 7.831 -1.297 393 HB3 HIS 47 HB3 HIS 47 -5.299 6.434 -1.334 394 HD1 HIS 47 HD1 HIS 47 -7.514 6.600 -0.104 395 HD2 HIS 47 HD2 HIS 47 -5.053 9.881 0.579 396 HE1 HIS 47 HE1 HIS 47 -8.928 8.252 1.141 397 HE2 HIS 47 HE2 HIS 47 -7.359 10.121 1.730 398 H THR 48 H THR 48 -5.492 4.517 0.712 399 HA THR 48 HA THR 48 -6.605 5.335 3.199 400 HB THR 48 HB THR 48 -6.728 2.617 1.824 401 HG1 THR 48 HG1 THR 48 -9.025 3.914 1.676 402 HG21 THR 48 HG21 THR 48 -8.469 3.740 4.056 403 HG22 THR 48 HG22 THR 48 -7.336 2.390 4.199 404 HG23 THR 48 HG23 THR 48 -8.770 2.234 3.181 405 H MET 49 H MET 49 -4.098 2.880 2.345 406 HA MET 49 HA MET 49 -3.573 1.779 4.879 407 HB2 MET 49 HB2 MET 49 -1.558 2.349 2.665 408 HB3 MET 49 HB3 MET 49 -1.274 1.278 4.031 409 HG2 MET 49 HG2 MET 49 -3.058 -0.201 3.229 410 HG3 MET 49 HG3 MET 49 -3.330 0.884 1.862 411 HE1 MET 49 HE1 MET 49 -2.693 -2.250 1.463 412 HE2 MET 49 HE2 MET 49 -1.632 -2.093 0.062 413 HE3 MET 49 HE3 MET 49 -3.062 -1.065 0.203 414 H LYS 50 H LYS 50 -1.954 4.500 3.295 415 HA LYS 50 HA LYS 50 -0.249 5.461 5.245 416 HB2 LYS 50 HB2 LYS 50 -0.314 6.276 2.913 417 HB3 LYS 50 HB3 LYS 50 -1.898 6.982 3.187 418 HG2 LYS 50 HG2 LYS 50 -0.705 8.443 4.988 419 HG3 LYS 50 HG3 LYS 50 0.793 7.922 4.211 420 HD2 LYS 50 HD2 LYS 50 0.020 10.119 3.345 421 HD3 LYS 50 HD3 LYS 50 0.045 8.895 2.072 422 HE2 LYS 50 HE2 LYS 50 -1.998 10.311 1.979 423 HE3 LYS 50 HE3 LYS 50 -2.382 8.612 2.242 424 HZ1 LYS 50 HZ1 LYS 50 -2.668 9.084 4.598 425 HZ2 LYS 50 HZ2 LYS 50 -3.700 10.039 3.663 426 HZ3 LYS 50 HZ3 LYS 50 -2.308 10.714 4.340 427 H GLU 51 H GLU 51 -3.621 6.410 4.646 428 HA GLU 51 HA GLU 51 -3.931 8.279 6.726 429 HB2 GLU 51 HB2 GLU 51 -5.338 8.065 4.661 430 HB3 GLU 51 HB3 GLU 51 -6.043 6.589 5.313 431 HG2 GLU 51 HG2 GLU 51 -6.956 7.910 7.201 432 HG3 GLU 51 HG3 GLU 51 -6.315 9.377 6.472 433 H ILE 52 H ILE 52 -4.452 4.766 6.628 434 HA ILE 52 HA ILE 52 -5.733 4.334 9.115 435 HB ILE 52 HB ILE 52 -3.993 2.545 7.364 436 HG12 ILE 52 HG12 ILE 52 -6.965 2.371 8.028 437 HG13 ILE 52 HG13 ILE 52 -6.303 3.073 6.559 438 HG21 ILE 52 HG21 ILE 52 -5.303 1.657 9.957 439 HG22 ILE 52 HG22 ILE 52 -3.572 1.739 9.629 440 HG23 ILE 52 HG23 ILE 52 -4.575 0.577 8.765 441 HD11 ILE 52 HD11 ILE 52 -7.169 0.839 6.168 442 HD12 ILE 52 HD12 ILE 52 -6.081 0.173 7.385 443 HD13 ILE 52 HD13 ILE 52 -5.426 0.879 5.903 444 H THR 53 H THR 53 -2.266 4.024 8.250 445 HA THR 53 HA THR 53 -1.427 3.413 10.898 446 HB THR 53 HB THR 53 -0.124 2.573 9.071 447 HG1 THR 53 HG1 THR 53 1.428 2.751 10.440 448 HG21 THR 53 HG21 THR 53 1.239 3.987 7.595 449 HG22 THR 53 HG22 THR 53 0.557 5.435 8.338 450 HG23 THR 53 HG23 THR 53 -0.475 4.355 7.399 451 H GLU 54 H GLU 54 -1.659 6.484 9.145 452 HA GLU 54 HA GLU 54 -0.285 8.141 10.998 453 HB2 GLU 54 HB2 GLU 54 -2.528 8.771 9.045 454 HB3 GLU 54 HB3 GLU 54 -1.753 10.008 10.026 455 HG2 GLU 54 HG2 GLU 54 0.403 9.518 8.956 456 HG3 GLU 54 HG3 GLU 54 -0.348 8.255 7.985 457 H THR 55 H THR 55 -3.783 7.275 10.782 458 HA THR 55 HA THR 55 -4.503 8.799 13.119 459 HB THR 55 HB THR 55 -6.147 8.327 11.279 460 HG1 THR 55 HG1 THR 55 -6.812 7.624 13.969 461 HG21 THR 55 HG21 THR 55 -5.702 5.923 10.884 462 HG22 THR 55 HG22 THR 55 -7.403 6.207 11.260 463 HG23 THR 55 HG23 THR 55 -6.324 5.540 12.487 464 H MET 56 H MET 56 -3.365 5.537 12.626 465 HA MET 56 HA MET 56 -4.036 4.502 15.234 466 HB2 MET 56 HB2 MET 56 -2.166 3.559 13.031 467 HB3 MET 56 HB3 MET 56 -2.211 2.744 14.586 468 HG2 MET 56 HG2 MET 56 -4.630 2.288 14.250 469 HG3 MET 56 HG3 MET 56 -4.515 3.020 12.646 470 HE1 MET 56 HE1 MET 56 -5.389 -0.092 13.623 471 HE2 MET 56 HE2 MET 56 -4.782 -0.985 12.229 472 HE3 MET 56 HE3 MET 56 -5.656 0.528 11.990 473 H GLY 57 H GLY 57 -1.618 6.671 14.137 474 HA2 GLY 57 HA2 GLY 57 -0.035 7.830 15.401 475 HA3 GLY 57 HA3 GLY 57 -0.274 6.713 16.735 476 H PHE 58 H PHE 58 0.233 5.012 13.848 477 HA PHE 58 HA PHE 58 3.000 4.317 14.507 478 HB2 PHE 58 HB2 PHE 58 0.942 3.267 12.528 479 HB3 PHE 58 HB3 PHE 58 2.610 2.738 12.464 480 HD1 PHE 58 HD1 PHE 58 -0.278 2.965 14.858 481 HD2 PHE 58 HD2 PHE 58 3.215 0.806 13.665 482 HE1 PHE 58 HE1 PHE 58 -0.832 1.184 16.458 483 HE2 PHE 58 HE2 PHE 58 2.661 -0.968 15.278 484 HZ PHE 58 HZ PHE 58 0.641 -0.781 16.678 485 H SER 59 H SER 59 3.186 6.858 13.925 486 HA SER 59 HA SER 59 3.127 7.840 11.317 487 HB2 SER 59 HB2 SER 59 4.953 8.720 13.591 488 HB3 SER 59 HB3 SER 59 4.589 9.670 12.151 489 HG SER 59 HG SER 59 3.288 10.255 13.945 490 H SER 60 H SER 60 5.688 6.045 12.940 491 HA SER 60 HA SER 60 7.791 6.410 11.074 492 HB2 SER 60 HB2 SER 60 7.252 4.088 12.964 493 HB3 SER 60 HB3 SER 60 8.775 4.355 12.113 494 HG SER 60 HG SER 60 9.221 5.437 13.869 495 H VAL 61 H VAL 61 5.137 4.032 11.167 496 HA VAL 61 HA VAL 61 5.971 2.517 8.870 497 HB VAL 61 HB VAL 61 3.129 2.776 9.945 498 HG11 VAL 61 HG11 VAL 61 4.424 0.525 8.368 499 HG12 VAL 61 HG12 VAL 61 3.251 1.690 7.750 500 HG13 VAL 61 HG13 VAL 61 2.770 0.531 8.988 501 HG21 VAL 61 HG21 VAL 61 4.613 2.150 11.808 502 HG22 VAL 61 HG22 VAL 61 5.235 0.786 10.871 503 HG23 VAL 61 HG23 VAL 61 3.537 0.821 11.370 504 H ALA 62 H ALA 62 3.872 5.321 9.405 505 HA ALA 62 HA ALA 62 2.731 5.629 6.863 506 HB1 ALA 62 HB1 ALA 62 3.459 7.837 8.821 507 HB2 ALA 62 HB2 ALA 62 1.963 6.902 8.818 508 HB3 ALA 62 HB3 ALA 62 2.329 7.980 7.464 509 H LYS 63 H LYS 63 5.959 6.647 8.009 510 HA LYS 63 HA LYS 63 6.894 8.128 5.831 511 HB2 LYS 63 HB2 LYS 63 8.248 6.269 7.784 512 HB3 LYS 63 HB3 LYS 63 9.169 6.745 6.371 513 HG2 LYS 63 HG2 LYS 63 9.738 8.184 8.214 514 HG3 LYS 63 HG3 LYS 63 8.899 9.121 6.975 515 HD2 LYS 63 HD2 LYS 63 6.829 9.055 8.305 516 HD3 LYS 63 HD3 LYS 63 7.622 8.052 9.524 517 HE2 LYS 63 HE2 LYS 63 9.217 9.921 9.966 518 HE3 LYS 63 HE3 LYS 63 8.334 10.916 8.804 519 HZ1 LYS 63 HZ1 LYS 63 7.649 11.360 11.072 520 HZ2 LYS 63 HZ2 LYS 63 7.209 9.743 11.282 521 HZ3 LYS 63 HZ3 LYS 63 6.367 10.707 10.178 522 H VAL 64 H VAL 64 6.792 4.595 6.204 523 HA VAL 64 HA VAL 64 8.005 3.897 3.747 524 HB VAL 64 HB VAL 64 6.061 2.270 5.446 525 HG11 VAL 64 HG11 VAL 64 7.977 1.293 3.285 526 HG12 VAL 64 HG12 VAL 64 6.214 1.308 3.184 527 HG13 VAL 64 HG13 VAL 64 7.020 0.258 4.350 528 HG21 VAL 64 HG21 VAL 64 8.086 1.231 6.428 529 HG22 VAL 64 HG22 VAL 64 8.053 2.970 6.724 530 HG23 VAL 64 HG23 VAL 64 9.109 2.308 5.473 531 H LEU 65 H LEU 65 4.519 3.946 4.643 532 HA LEU 65 HA LEU 65 3.529 3.233 2.078 533 HB2 LEU 65 HB2 LEU 65 2.194 4.555 4.458 534 HB3 LEU 65 HB3 LEU 65 1.308 4.242 2.979 535 HG LEU 65 HG LEU 65 0.852 2.503 4.628 536 HD11 LEU 65 HD11 LEU 65 1.344 0.511 3.277 537 HD12 LEU 65 HD12 LEU 65 2.533 1.418 2.340 538 HD13 LEU 65 HD13 LEU 65 0.824 1.854 2.260 539 HD21 LEU 65 HD21 LEU 65 2.593 0.945 5.404 540 HD22 LEU 65 HD22 LEU 65 2.895 2.598 5.935 541 HD23 LEU 65 HD23 LEU 65 3.825 1.926 4.592 542 H HIS 66 H HIS 66 4.349 6.340 3.445 543 HA HIS 66 HA HIS 66 3.097 8.024 1.532 544 HB2 HIS 66 HB2 HIS 66 3.938 8.748 3.805 545 HB3 HIS 66 HB3 HIS 66 5.579 8.656 3.184 546 HD1 HIS 66 HD1 HIS 66 6.311 10.514 1.517 547 HD2 HIS 66 HD2 HIS 66 2.441 10.966 2.957 548 HE1 HIS 66 HE1 HIS 66 5.645 12.837 0.886 549 HE2 HIS 66 HE2 HIS 66 3.245 13.027 1.597 550 H THR 67 H THR 67 6.141 6.206 1.514 551 HA THR 67 HA THR 67 7.345 7.648 -0.676 552 HB THR 67 HB THR 67 8.972 5.882 -0.932 553 HG1 THR 67 HG1 THR 67 7.990 4.158 0.999 554 HG21 THR 67 HG21 THR 67 8.358 6.217 2.018 555 HG22 THR 67 HG22 THR 67 9.303 7.331 1.029 556 HG23 THR 67 HG23 THR 67 9.901 5.699 1.335 557 H ILE 68 H ILE 68 5.231 4.762 -0.497 558 HA ILE 68 HA ILE 68 5.266 4.168 -3.299 559 HB ILE 68 HB ILE 68 3.074 3.459 -1.288 560 HG12 ILE 68 HG12 ILE 68 4.169 1.076 -1.576 561 HG13 ILE 68 HG13 ILE 68 5.575 1.961 -2.157 562 HG21 ILE 68 HG21 ILE 68 2.343 1.741 -2.919 563 HG22 ILE 68 HG22 ILE 68 3.522 2.349 -4.082 564 HG23 ILE 68 HG23 ILE 68 2.184 3.377 -3.565 565 HD11 ILE 68 HD11 ILE 68 5.802 1.406 0.156 566 HD12 ILE 68 HD12 ILE 68 4.279 2.194 0.546 567 HD13 ILE 68 HD13 ILE 68 5.656 3.150 -0.010 568 H MET 69 H MET 69 3.202 6.252 -1.289 569 HA MET 69 HA MET 69 1.310 7.126 -3.168 570 HB2 MET 69 HB2 MET 69 2.648 8.719 -0.938 571 HB3 MET 69 HB3 MET 69 1.195 9.228 -1.795 572 HG2 MET 69 HG2 MET 69 1.354 6.645 -0.252 573 HG3 MET 69 HG3 MET 69 0.853 8.170 0.474 574 HE1 MET 69 HE1 MET 69 -2.482 8.941 -1.398 575 HE2 MET 69 HE2 MET 69 -0.888 9.543 -1.855 576 HE3 MET 69 HE3 MET 69 -1.343 9.454 -0.151 577 H ASN 70 H ASN 70 4.462 8.573 -2.388 578 HA ASN 70 HA ASN 70 4.580 10.556 -4.395 579 HB2 ASN 70 HB2 ASN 70 5.993 10.486 -2.347 580 HB3 ASN 70 HB3 ASN 70 6.815 9.055 -2.967 581 HD21 ASN 70 HD21 ASN 70 5.976 11.916 -4.925 582 HD22 ASN 70 HD22 ASN 70 7.607 12.394 -5.202 583 H LEU 71 H LEU 71 5.552 7.189 -4.356 584 HA LEU 71 HA LEU 71 7.199 7.101 -6.664 585 HB2 LEU 71 HB2 LEU 71 7.025 5.516 -4.611 586 HB3 LEU 71 HB3 LEU 71 5.673 4.771 -5.434 587 HG LEU 71 HG LEU 71 8.516 4.870 -6.511 588 HD11 LEU 71 HD11 LEU 71 8.400 3.512 -4.449 589 HD12 LEU 71 HD12 LEU 71 8.701 2.502 -5.859 590 HD13 LEU 71 HD13 LEU 71 7.088 2.555 -5.140 591 HD21 LEU 71 HD21 LEU 71 6.082 3.310 -7.448 592 HD22 LEU 71 HD22 LEU 71 7.723 3.097 -8.065 593 HD23 LEU 71 HD23 LEU 71 6.888 4.626 -8.304 594 H VAL 72 H VAL 72 3.925 5.783 -6.156 595 HA VAL 72 HA VAL 72 3.330 5.196 -8.829 596 HB VAL 72 HB VAL 72 1.358 5.655 -6.552 597 HG11 VAL 72 HG11 VAL 72 1.019 4.167 -9.191 598 HG12 VAL 72 HG12 VAL 72 0.226 5.679 -8.735 599 HG13 VAL 72 HG13 VAL 72 -0.165 4.188 -7.878 600 HG21 VAL 72 HG21 VAL 72 2.694 3.076 -7.471 601 HG22 VAL 72 HG22 VAL 72 1.446 3.199 -6.227 602 HG23 VAL 72 HG23 VAL 72 3.029 3.934 -5.963 603 H ASP 73 H ASP 73 2.732 8.146 -6.908 604 HA ASP 73 HA ASP 73 1.133 9.562 -8.747 605 HB2 ASP 73 HB2 ASP 73 1.616 10.288 -6.392 606 HB3 ASP 73 HB3 ASP 73 3.251 10.724 -6.880 607 H LYS 74 H LYS 74 4.671 9.186 -8.571 608 HA LYS 74 HA LYS 74 5.275 10.792 -10.874 609 HB2 LYS 74 HB2 LYS 74 6.854 8.829 -9.216 610 HB3 LYS 74 HB3 LYS 74 7.536 9.515 -10.691 611 HG2 LYS 74 HG2 LYS 74 7.391 11.750 -9.824 612 HG3 LYS 74 HG3 LYS 74 6.449 11.220 -8.428 613 HD2 LYS 74 HD2 LYS 74 8.762 11.693 -7.798 614 HD3 LYS 74 HD3 LYS 74 8.383 9.988 -7.565 615 HE2 LYS 74 HE2 LYS 74 9.601 9.398 -9.599 616 HE3 LYS 74 HE3 LYS 74 9.871 11.101 -9.972 617 HZ1 LYS 74 HZ1 LYS 74 11.810 10.032 -8.983 618 HZ2 LYS 74 HZ2 LYS 74 10.930 9.702 -7.579 619 HZ3 LYS 74 HZ3 LYS 74 11.241 11.303 -8.026 620 H MET 75 H MET 75 4.492 7.382 -10.388 621 HA MET 75 HA MET 75 5.149 6.396 -12.969 622 HB2 MET 75 HB2 MET 75 3.113 5.452 -10.921 623 HB3 MET 75 HB3 MET 75 3.436 4.584 -12.418 624 HG2 MET 75 HG2 MET 75 5.751 4.222 -11.744 625 HG3 MET 75 HG3 MET 75 5.479 5.153 -10.259 626 HE1 MET 75 HE1 MET 75 6.682 2.391 -9.745 627 HE2 MET 75 HE2 MET 75 6.087 1.762 -11.286 628 HE3 MET 75 HE3 MET 75 5.600 0.996 -9.773 629 H LEU 76 H LEU 76 2.184 7.912 -11.683 630 HA LEU 76 HA LEU 76 0.403 7.534 -13.791 631 HB2 LEU 76 HB2 LEU 76 0.616 9.471 -11.536 632 HB3 LEU 76 HB3 LEU 76 -0.308 10.080 -12.891 633 HG LEU 76 HG LEU 76 -1.848 9.107 -11.306 634 HD11 LEU 76 HD11 LEU 76 -3.024 7.486 -12.679 635 HD12 LEU 76 HD12 LEU 76 -1.577 7.197 -13.646 636 HD13 LEU 76 HD13 LEU 76 -2.369 8.774 -13.689 637 HD21 LEU 76 HD21 LEU 76 -0.329 7.616 -10.095 638 HD22 LEU 76 HD22 LEU 76 -0.259 6.520 -11.477 639 HD23 LEU 76 HD23 LEU 76 -1.778 6.748 -10.603 640 H ASN 77 H ASN 77 3.125 9.717 -13.659 641 HA ASN 77 HA ASN 77 2.541 10.574 -16.431 642 HB2 ASN 77 HB2 ASN 77 4.459 12.273 -15.943 643 HB3 ASN 77 HB3 ASN 77 2.868 12.555 -15.264 644 HD21 ASN 77 HD21 ASN 77 2.554 12.164 -12.986 645 HD22 ASN 77 HD22 ASN 77 3.896 12.167 -11.901 646 H SER 78 H SER 78 3.426 9.390 -17.869 647 HA SER 78 HA SER 78 5.263 7.290 -17.448 648 HB2 SER 78 HB2 SER 78 3.498 7.231 -19.149 649 HB3 SER 78 HB3 SER 78 4.254 8.560 -20.018 650 HG SER 78 HG SER 78 5.442 6.010 -19.577 651 H GLU 79 H GLU 79 5.988 10.550 -17.753 652 HA GLU 79 HA GLU 79 8.389 10.669 -19.213 653 HB2 GLU 79 HB2 GLU 79 8.822 12.726 -17.903 654 HB3 GLU 79 HB3 GLU 79 7.140 12.645 -18.406 655 HG2 GLU 79 HG2 GLU 79 6.440 11.939 -16.187 656 HG3 GLU 79 HG3 GLU 79 8.117 11.899 -15.646 657 H ILE 80 H ILE 80 7.676 9.327 -16.117 658 HA ILE 80 HA ILE 80 10.422 9.173 -15.124 659 HB ILE 80 HB ILE 80 7.730 8.321 -13.971 660 HG12 ILE 80 HG12 ILE 80 8.107 10.803 -14.311 661 HG13 ILE 80 HG13 ILE 80 7.776 10.351 -12.667 662 HG21 ILE 80 HG21 ILE 80 8.846 8.106 -11.774 663 HG22 ILE 80 HG22 ILE 80 10.412 8.367 -12.546 664 HG23 ILE 80 HG23 ILE 80 9.458 6.937 -12.946 665 HD11 ILE 80 HD11 ILE 80 9.500 12.052 -12.793 666 HD12 ILE 80 HD12 ILE 80 10.490 11.010 -13.813 667 HD13 ILE 80 HD13 ILE 80 10.173 10.562 -12.134 668 H LYS 81 H LYS 81 8.087 7.138 -16.747 669 HA LYS 81 HA LYS 81 7.917 4.999 -17.385 670 HB2 LYS 81 HB2 LYS 81 10.909 5.129 -17.035 671 HB3 LYS 81 HB3 LYS 81 10.178 3.554 -17.274 672 HG2 LYS 81 HG2 LYS 81 10.940 4.335 -19.401 673 HG3 LYS 81 HG3 LYS 81 9.178 4.364 -19.411 674 HD2 LYS 81 HD2 LYS 81 10.034 6.350 -20.513 675 HD3 LYS 81 HD3 LYS 81 9.236 6.818 -19.015 676 HE2 LYS 81 HE2 LYS 81 11.390 7.116 -17.908 677 HE3 LYS 81 HE3 LYS 81 12.241 6.501 -19.327 678 HZ1 LYS 81 HZ1 LYS 81 11.443 8.392 -20.586 679 HZ2 LYS 81 HZ2 LYS 81 12.294 8.901 -19.216 680 HZ3 LYS 81 HZ3 LYS 81 10.609 8.976 -19.233 681 H ILE 82 H ILE 82 7.266 3.073 -16.585 682 HA ILE 82 HA ILE 82 7.342 2.743 -13.666 683 HB ILE 82 HB ILE 82 5.528 1.454 -15.765 684 HG12 ILE 82 HG12 ILE 82 3.710 2.792 -14.520 685 HG13 ILE 82 HG13 ILE 82 5.010 3.650 -13.707 686 HG21 ILE 82 HG21 ILE 82 4.219 0.540 -13.880 687 HG22 ILE 82 HG22 ILE 82 5.427 1.144 -12.746 688 HG23 ILE 82 HG23 ILE 82 5.859 -0.107 -13.912 689 HD11 ILE 82 HD11 ILE 82 4.475 3.645 -16.666 690 HD12 ILE 82 HD12 ILE 82 5.753 4.544 -15.843 691 HD13 ILE 82 HD13 ILE 82 4.062 4.925 -15.526 692 H THR 83 H THR 83 9.334 1.903 -13.340 693 HA THR 83 HA THR 83 10.560 -0.116 -14.885 694 HB THR 83 HB THR 83 11.218 0.904 -12.092 695 HG1 THR 83 HG1 THR 83 12.476 1.491 -14.582 696 HG21 THR 83 HG21 THR 83 12.950 -0.809 -13.923 697 HG22 THR 83 HG22 THR 83 12.268 -1.310 -12.372 698 HG23 THR 83 HG23 THR 83 13.493 -0.041 -12.431 699 H SER 84 H SER 84 10.584 -2.344 -14.681 700 HA SER 84 HA SER 84 8.322 -3.588 -13.538 701 HB2 SER 84 HB2 SER 84 10.837 -4.849 -14.683 702 HB3 SER 84 HB3 SER 84 9.332 -5.711 -14.356 703 HG SER 84 HG SER 84 8.362 -4.697 -15.999 704 H ASP 85 H ASP 85 11.780 -3.808 -12.517 705 HA ASP 85 HA ASP 85 11.224 -5.397 -10.184 706 HB2 ASP 85 HB2 ASP 85 13.637 -3.728 -10.956 707 HB3 ASP 85 HB3 ASP 85 13.573 -4.706 -9.496 708 H LEU 86 H LEU 86 11.057 -1.977 -10.814 709 HA LEU 86 HA LEU 86 11.011 -1.160 -8.054 710 HB2 LEU 86 HB2 LEU 86 11.597 0.425 -9.848 711 HB3 LEU 86 HB3 LEU 86 9.993 0.248 -10.540 712 HG LEU 86 HG LEU 86 9.073 1.185 -8.351 713 HD11 LEU 86 HD11 LEU 86 10.984 0.841 -6.896 714 HD12 LEU 86 HD12 LEU 86 10.575 2.553 -6.962 715 HD13 LEU 86 HD13 LEU 86 11.967 1.946 -7.864 716 HD21 LEU 86 HD21 LEU 86 9.498 3.525 -9.017 717 HD22 LEU 86 HD22 LEU 86 9.134 2.499 -10.403 718 HD23 LEU 86 HD23 LEU 86 10.803 2.989 -10.081 719 H ILE 87 H ILE 87 8.530 -2.108 -10.419 720 HA ILE 87 HA ILE 87 6.201 -1.718 -8.884 721 HB ILE 87 HB ILE 87 6.785 -4.059 -10.764 722 HG12 ILE 87 HG12 ILE 87 5.434 -1.424 -11.497 723 HG13 ILE 87 HG13 ILE 87 7.120 -1.790 -11.835 724 HG21 ILE 87 HG21 ILE 87 4.093 -2.927 -9.912 725 HG22 ILE 87 HG22 ILE 87 4.781 -4.469 -9.398 726 HG23 ILE 87 HG23 ILE 87 4.339 -4.224 -11.087 727 HD11 ILE 87 HD11 ILE 87 5.748 -2.098 -13.805 728 HD12 ILE 87 HD12 ILE 87 4.735 -3.263 -12.957 729 HD13 ILE 87 HD13 ILE 87 6.428 -3.642 -13.291 730 H ASP 88 H ASP 88 8.667 -4.260 -8.878 731 HA ASP 88 HA ASP 88 7.537 -6.035 -6.954 732 HB2 ASP 88 HB2 ASP 88 9.315 -6.685 -8.556 733 HB3 ASP 88 HB3 ASP 88 10.415 -5.574 -7.783 734 H LYS 89 H LYS 89 9.545 -3.137 -6.736 735 HA LYS 89 HA LYS 89 10.277 -3.367 -3.985 736 HB2 LYS 89 HB2 LYS 89 11.298 -1.820 -5.841 737 HB3 LYS 89 HB3 LYS 89 10.010 -0.701 -5.412 738 HG2 LYS 89 HG2 LYS 89 10.810 -0.626 -3.093 739 HG3 LYS 89 HG3 LYS 89 12.063 -1.814 -3.478 740 HD2 LYS 89 HD2 LYS 89 12.994 -0.146 -5.147 741 HD3 LYS 89 HD3 LYS 89 11.840 1.036 -4.513 742 HE2 LYS 89 HE2 LYS 89 13.967 1.387 -3.418 743 HE3 LYS 89 HE3 LYS 89 12.856 0.688 -2.241 744 HZ1 LYS 89 HZ1 LYS 89 13.869 -1.462 -2.583 745 HZ2 LYS 89 HZ2 LYS 89 15.048 -0.331 -2.151 746 HZ3 LYS 89 HZ3 LYS 89 14.904 -0.828 -3.760 747 H VAL 90 H VAL 90 7.613 -1.749 -5.695 748 HA VAL 90 HA VAL 90 6.173 -0.609 -3.589 749 HB VAL 90 HB VAL 90 5.013 -1.963 -6.075 750 HG11 VAL 90 HG11 VAL 90 3.754 0.133 -4.263 751 HG12 VAL 90 HG12 VAL 90 3.256 -1.553 -4.413 752 HG13 VAL 90 HG13 VAL 90 3.060 -0.453 -5.778 753 HG21 VAL 90 HG21 VAL 90 6.652 -0.258 -6.728 754 HG22 VAL 90 HG22 VAL 90 5.859 0.940 -5.703 755 HG23 VAL 90 HG23 VAL 90 5.023 0.294 -7.118 756 H LYS 91 H LYS 91 6.038 -3.934 -4.891 757 HA LYS 91 HA LYS 91 4.025 -5.053 -3.297 758 HB2 LYS 91 HB2 LYS 91 6.531 -6.469 -4.331 759 HB3 LYS 91 HB3 LYS 91 5.046 -7.264 -3.790 760 HG2 LYS 91 HG2 LYS 91 3.830 -6.190 -5.671 761 HG3 LYS 91 HG3 LYS 91 5.341 -5.455 -6.201 762 HD2 LYS 91 HD2 LYS 91 5.021 -7.386 -7.577 763 HD3 LYS 91 HD3 LYS 91 6.300 -7.802 -6.433 764 HE2 LYS 91 HE2 LYS 91 4.822 -9.695 -6.590 765 HE3 LYS 91 HE3 LYS 91 4.530 -8.949 -5.019 766 HZ1 LYS 91 HZ1 LYS 91 2.467 -9.526 -6.090 767 HZ2 LYS 91 HZ2 LYS 91 2.867 -8.613 -7.457 768 HZ3 LYS 91 HZ3 LYS 91 2.585 -7.845 -5.975 769 H LYS 92 H LYS 92 7.564 -5.013 -2.713 770 HA LYS 92 HA LYS 92 7.546 -6.565 -0.364 771 HB2 LYS 92 HB2 LYS 92 9.554 -6.266 -1.740 772 HB3 LYS 92 HB3 LYS 92 9.590 -4.560 -1.335 773 HG2 LYS 92 HG2 LYS 92 11.259 -5.657 -0.009 774 HG3 LYS 92 HG3 LYS 92 9.934 -5.171 1.057 775 HD2 LYS 92 HD2 LYS 92 9.045 -7.504 0.985 776 HD3 LYS 92 HD3 LYS 92 10.419 -7.977 -0.025 777 HE2 LYS 92 HE2 LYS 92 10.558 -6.930 2.827 778 HE3 LYS 92 HE3 LYS 92 10.814 -8.600 2.315 779 HZ1 LYS 92 HZ1 LYS 92 12.508 -6.267 1.580 780 HZ2 LYS 92 HZ2 LYS 92 12.747 -7.850 1.042 781 HZ3 LYS 92 HZ3 LYS 92 12.909 -7.488 2.684 782 H LYS 93 H LYS 93 7.262 -3.078 -0.836 783 HA LYS 93 HA LYS 93 7.663 -2.215 1.828 784 HB2 LYS 93 HB2 LYS 93 6.093 -0.946 -0.435 785 HB3 LYS 93 HB3 LYS 93 6.459 -0.130 1.082 786 HG2 LYS 93 HG2 LYS 93 8.520 -1.138 -0.906 787 HG3 LYS 93 HG3 LYS 93 7.965 0.532 -0.764 788 HD2 LYS 93 HD2 LYS 93 8.872 0.606 1.560 789 HD3 LYS 93 HD3 LYS 93 9.456 -1.054 1.375 790 HE2 LYS 93 HE2 LYS 93 10.963 -0.342 -0.435 791 HE3 LYS 93 HE3 LYS 93 10.336 1.306 -0.337 792 HZ1 LYS 93 HZ1 LYS 93 11.176 1.431 1.930 793 HZ2 LYS 93 HZ2 LYS 93 12.417 1.122 0.824 794 HZ3 LYS 93 HZ3 LYS 93 11.819 -0.125 1.796 795 H LEU 94 H LEU 94 4.600 -2.989 0.107 796 HA LEU 94 HA LEU 94 2.993 -2.546 2.492 797 HB2 LEU 94 HB2 LEU 94 1.080 -3.360 1.050 798 HB3 LEU 94 HB3 LEU 94 1.923 -1.922 0.511 799 HG LEU 94 HG LEU 94 3.269 -3.792 -0.960 800 HD11 LEU 94 HD11 LEU 94 1.731 -5.430 -1.903 801 HD12 LEU 94 HD12 LEU 94 0.480 -4.937 -0.758 802 HD13 LEU 94 HD13 LEU 94 1.968 -5.688 -0.174 803 HD21 LEU 94 HD21 LEU 94 2.289 -1.761 -1.865 804 HD22 LEU 94 HD22 LEU 94 0.672 -2.461 -1.776 805 HD23 LEU 94 HD23 LEU 94 1.871 -3.143 -2.878 806 H ASP 95 H ASP 95 4.392 -5.367 0.905 807 HA ASP 95 HA ASP 95 3.344 -7.411 2.549 808 HB2 ASP 95 HB2 ASP 95 5.837 -7.033 0.907 809 HB3 ASP 95 HB3 ASP 95 5.893 -8.323 2.094 810 H MET 96 H MET 96 5.959 -5.124 3.033 811 HA MET 96 HA MET 96 7.088 -6.072 5.445 812 HB2 MET 96 HB2 MET 96 8.281 -4.544 4.015 813 HB3 MET 96 HB3 MET 96 7.010 -3.346 4.125 814 HG2 MET 96 HG2 MET 96 7.581 -2.962 6.493 815 HG3 MET 96 HG3 MET 96 8.866 -4.155 6.361 816 HE1 MET 96 HE1 MET 96 9.853 -3.442 3.276 817 HE2 MET 96 HE2 MET 96 10.951 -3.846 4.596 818 HE3 MET 96 HE3 MET 96 11.204 -2.375 3.660 819 H VAL 97 H VAL 97 4.279 -4.080 4.811 820 HA VAL 97 HA VAL 97 3.831 -3.011 7.407 821 HB VAL 97 HB VAL 97 1.844 -3.593 5.165 822 HG11 VAL 97 HG11 VAL 97 1.522 -1.678 7.510 823 HG12 VAL 97 HG12 VAL 97 0.671 -3.212 7.314 824 HG13 VAL 97 HG13 VAL 97 0.384 -1.897 6.174 825 HG21 VAL 97 HG21 VAL 97 2.198 -1.234 4.513 826 HG22 VAL 97 HG22 VAL 97 3.710 -2.148 4.449 827 HG23 VAL 97 HG23 VAL 97 3.398 -1.054 5.797 828 H THR 98 H THR 98 2.589 -5.981 5.813 829 HA THR 98 HA THR 98 1.180 -7.083 8.014 830 HB THR 98 HB THR 98 2.590 -8.548 5.733 831 HG1 THR 98 HG1 THR 98 0.260 -8.638 5.030 832 HG21 THR 98 HG21 THR 98 1.029 -10.423 6.195 833 HG22 THR 98 HG22 THR 98 0.415 -9.563 7.609 834 HG23 THR 98 HG23 THR 98 2.090 -10.117 7.575 835 H ARG 99 H ARG 99 4.582 -7.327 7.027 836 HA ARG 99 HA ARG 99 5.426 -9.311 8.875 837 HB2 ARG 99 HB2 ARG 99 6.997 -7.201 7.355 838 HB3 ARG 99 HB3 ARG 99 7.746 -8.507 8.274 839 HG2 ARG 99 HG2 ARG 99 6.764 -10.179 6.797 840 HG3 ARG 99 HG3 ARG 99 5.856 -8.936 5.930 841 HD2 ARG 99 HD2 ARG 99 7.917 -7.959 5.083 842 HD3 ARG 99 HD3 ARG 99 8.889 -9.070 6.058 843 HE ARG 99 HE ARG 99 7.065 -10.150 4.017 844 HH11 ARG 99 HH11 ARG 99 10.329 -9.636 5.049 845 HH12 ARG 99 HH12 ARG 99 10.966 -10.786 3.931 846 HH21 ARG 99 HH21 ARG 99 7.907 -11.604 2.602 847 HH22 ARG 99 HH22 ARG 99 9.612 -11.884 2.560 848 H GLU 100 H GLU 100 5.437 -5.752 9.099 849 HA GLU 100 HA GLU 100 6.721 -5.749 11.697 850 HB2 GLU 100 HB2 GLU 100 6.911 -3.861 9.986 851 HB3 GLU 100 HB3 GLU 100 5.268 -3.399 10.428 852 HG2 GLU 100 HG2 GLU 100 5.989 -3.062 12.770 853 HG3 GLU 100 HG3 GLU 100 7.627 -3.550 12.344 854 H LEU 101 H LEU 101 3.419 -5.760 10.478 855 HA LEU 101 HA LEU 101 2.071 -5.201 12.920 856 HB2 LEU 101 HB2 LEU 101 1.176 -5.366 10.432 857 HB3 LEU 101 HB3 LEU 101 0.918 -7.051 10.814 858 HG LEU 101 HG LEU 101 -1.133 -5.643 11.011 859 HD11 LEU 101 HD11 LEU 101 -0.330 -6.856 13.663 860 HD12 LEU 101 HD12 LEU 101 -1.038 -7.718 12.296 861 HD13 LEU 101 HD13 LEU 101 -1.972 -6.484 13.133 862 HD21 LEU 101 HD21 LEU 101 0.278 -4.289 13.325 863 HD22 LEU 101 HD22 LEU 101 -1.403 -4.048 12.843 864 HD23 LEU 101 HD23 LEU 101 -0.102 -3.560 11.761 865 H ASP 102 H ASP 102 3.500 -8.137 11.564 866 HA ASP 102 HA ASP 102 2.676 -10.081 13.395 867 HB2 ASP 102 HB2 ASP 102 3.971 -10.543 11.334 868 HB3 ASP 102 HB3 ASP 102 5.380 -9.756 12.027 869 H LYS 103 H LYS 103 5.241 -7.637 13.691 870 HA LYS 103 HA LYS 103 6.232 -8.410 16.274 871 HB2 LYS 103 HB2 LYS 103 6.382 -5.686 14.917 872 HB3 LYS 103 HB3 LYS 103 7.382 -6.225 16.269 873 HG2 LYS 103 HG2 LYS 103 8.425 -7.926 14.818 874 HG3 LYS 103 HG3 LYS 103 7.396 -7.420 13.471 875 HD2 LYS 103 HD2 LYS 103 8.438 -5.165 13.540 876 HD3 LYS 103 HD3 LYS 103 9.475 -5.684 14.874 877 HE2 LYS 103 HE2 LYS 103 10.504 -7.384 13.373 878 HE3 LYS 103 HE3 LYS 103 9.483 -6.816 12.047 879 HZ1 LYS 103 HZ1 LYS 103 11.528 -5.222 13.487 880 HZ2 LYS 103 HZ2 LYS 103 10.529 -4.642 12.255 881 HZ3 LYS 103 HZ3 LYS 103 11.665 -5.847 11.922 882 H LYS 104 H LYS 104 3.720 -6.179 15.152 883 HA LYS 104 HA LYS 104 3.055 -4.912 17.599 884 HB2 LYS 104 HB2 LYS 104 2.358 -4.272 15.202 885 HB3 LYS 104 HB3 LYS 104 1.111 -5.499 15.318 886 HG2 LYS 104 HG2 LYS 104 1.291 -3.168 17.257 887 HG3 LYS 104 HG3 LYS 104 0.446 -3.039 15.718 888 HD2 LYS 104 HD2 LYS 104 -0.254 -4.945 17.993 889 HD3 LYS 104 HD3 LYS 104 -1.116 -3.463 17.580 890 HE2 LYS 104 HE2 LYS 104 -1.716 -4.456 15.375 891 HE3 LYS 104 HE3 LYS 104 -0.879 -5.941 15.829 892 HZ1 LYS 104 HZ1 LYS 104 -2.426 -6.156 17.696 893 HZ2 LYS 104 HZ2 LYS 104 -3.215 -6.174 16.202 894 HZ3 LYS 104 HZ3 LYS 104 -3.260 -4.783 17.163 895 H VAL 105 H VAL 105 1.954 -7.935 16.120 896 HA VAL 105 HA VAL 105 0.039 -8.689 18.098 897 HB VAL 105 HB VAL 105 1.606 -10.441 16.146 898 HG11 VAL 105 HG11 VAL 105 -0.180 -12.141 16.464 899 HG12 VAL 105 HG12 VAL 105 -0.921 -11.135 17.711 900 HG13 VAL 105 HG13 VAL 105 0.685 -11.820 17.970 901 HG21 VAL 105 HG21 VAL 105 -0.381 -10.337 14.695 902 HG22 VAL 105 HG22 VAL 105 0.245 -8.717 14.998 903 HG23 VAL 105 HG23 VAL 105 -1.194 -9.278 15.850 904 H SER 106 H SER 106 3.421 -9.696 17.500 905 HA SER 106 HA SER 106 4.963 -10.903 18.607 906 HB2 SER 106 HB2 SER 106 3.629 -9.805 21.123 907 HB3 SER 106 HB3 SER 106 5.214 -10.580 21.068 908 HG SER 106 HG SER 106 4.566 -8.272 19.548 909 H GLY 107 H GLY 107 4.491 -12.996 18.051 910 HA2 GLY 107 HA2 GLY 107 2.218 -14.469 19.020 911 HA3 GLY 107 HA3 GLY 107 3.511 -15.080 18.002 912 H SER 108 H SER 108 2.678 -14.250 21.330 913 HA SER 108 HA SER 108 3.213 -14.993 23.380 914 HB2 SER 108 HB2 SER 108 2.556 -17.222 22.446 915 HB3 SER 108 HB3 SER 108 4.243 -17.521 22.037 916 HG SER 108 HG SER 108 3.247 -17.028 24.659 917 H TYR 109 H TYR 109 5.535 -14.020 21.316 918 HA TYR 109 HA TYR 109 7.877 -14.720 22.967 919 HB2 TYR 109 HB2 TYR 109 7.964 -15.105 20.477 920 HB3 TYR 109 HB3 TYR 109 7.822 -13.368 20.230 921 HD1 TYR 109 HD1 TYR 109 10.052 -16.080 21.435 922 HD2 TYR 109 HD2 TYR 109 9.776 -11.890 20.621 923 HE1 TYR 109 HE1 TYR 109 12.496 -15.883 21.617 924 HE2 TYR 109 HE2 TYR 109 12.222 -11.693 20.804 925 HH TYR 109 HH TYR 109 14.100 -12.883 21.839 926 H LEU 110 H LEU 110 8.106 -13.342 24.625 927 HA LEU 110 HA LEU 110 8.123 -10.415 24.146 928 HB2 LEU 110 HB2 LEU 110 7.833 -11.987 26.745 929 HB3 LEU 110 HB3 LEU 110 8.066 -10.249 26.679 930 HG LEU 110 HG LEU 110 5.872 -10.146 25.327 931 HD11 LEU 110 HD11 LEU 110 5.656 -12.484 24.680 932 HD12 LEU 110 HD12 LEU 110 4.263 -11.979 25.633 933 HD13 LEU 110 HD13 LEU 110 5.525 -12.967 26.373 934 HD21 LEU 110 HD21 LEU 110 5.729 -11.044 28.222 935 HD22 LEU 110 HD22 LEU 110 4.457 -10.191 27.342 936 HD23 LEU 110 HD23 LEU 110 5.999 -9.395 27.651 937 H VAL 111 H VAL 111 9.786 -9.458 26.013 938 HA VAL 111 HA VAL 111 12.399 -10.859 25.710 939 HB VAL 111 HB VAL 111 13.510 -8.613 25.725 940 HG11 VAL 111 HG11 VAL 111 12.936 -7.949 23.405 941 HG12 VAL 111 HG12 VAL 111 11.480 -8.945 23.479 942 HG13 VAL 111 HG13 VAL 111 13.070 -9.704 23.562 943 HG21 VAL 111 HG21 VAL 111 11.789 -7.294 26.913 944 HG22 VAL 111 HG22 VAL 111 10.688 -7.466 25.545 945 HG23 VAL 111 HG23 VAL 111 12.179 -6.540 25.363 946 HA PRO 112 HA PRO 112 12.769 -10.649 30.222 947 HB2 PRO 112 HB2 PRO 112 15.713 -10.236 29.933 948 HB3 PRO 112 HB3 PRO 112 14.838 -11.572 30.692 949 HG2 PRO 112 HG2 PRO 112 16.101 -11.902 28.333 950 HG3 PRO 112 HG3 PRO 112 14.558 -12.714 28.677 951 HD2 PRO 112 HD2 PRO 112 15.056 -10.209 27.055 952 HD3 PRO 112 HD3 PRO 112 14.027 -11.612 26.673 953 H ARG 113 H ARG 113 11.843 -8.764 30.901 954 HA ARG 113 HA ARG 113 11.585 -6.716 31.794 955 HB2 ARG 113 HB2 ARG 113 13.758 -7.136 32.933 956 HB3 ARG 113 HB3 ARG 113 14.609 -6.421 31.571 957 HG2 ARG 113 HG2 ARG 113 13.482 -4.237 32.059 958 HG3 ARG 113 HG3 ARG 113 12.728 -4.978 33.477 959 HD2 ARG 113 HD2 ARG 113 14.960 -5.435 34.422 960 HD3 ARG 113 HD3 ARG 113 15.718 -4.697 33.005 961 HE ARG 113 HE ARG 113 14.046 -2.768 34.037 962 HH11 ARG 113 HH11 ARG 113 16.749 -4.563 35.259 963 HH12 ARG 113 HH12 ARG 113 17.252 -3.285 36.306 964 HH21 ARG 113 HH21 ARG 113 14.707 -1.156 35.367 965 HH22 ARG 113 HH22 ARG 113 16.108 -1.362 36.356 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -15.077 9.763 13.900 2 H2 MET 1 H2 MET 1 -14.474 8.394 14.684 3 H3 MET 1 H3 MET 1 -13.430 9.397 13.820 4 HA MET 1 HA MET 1 -13.783 11.194 15.336 5 HB2 MET 1 HB2 MET 1 -16.146 10.537 15.891 6 HB3 MET 1 HB3 MET 1 -15.524 9.241 16.903 7 HG2 MET 1 HG2 MET 1 -16.190 11.167 18.251 8 HG3 MET 1 HG3 MET 1 -14.444 10.905 18.365 9 HE1 MET 1 HE1 MET 1 -15.971 13.671 19.204 10 HE2 MET 1 HE2 MET 1 -14.820 14.847 18.567 11 HE3 MET 1 HE3 MET 1 -14.242 13.402 19.400 12 H GLY 2 H GLY 2 -11.548 10.731 15.358 13 HA2 GLY 2 HA2 GLY 2 -9.528 10.119 16.258 14 HA3 GLY 2 HA3 GLY 2 -10.386 9.746 17.748 15 H SER 3 H SER 3 -10.270 7.667 18.389 16 HA SER 3 HA SER 3 -10.672 5.418 16.664 17 HB2 SER 3 HB2 SER 3 -8.295 5.835 16.116 18 HB3 SER 3 HB3 SER 3 -7.864 5.743 17.821 19 HG SER 3 HG SER 3 -7.524 3.724 17.276 20 H HIS 4 H HIS 4 -11.453 3.743 17.801 21 HA HIS 4 HA HIS 4 -10.816 3.363 20.671 22 HB2 HIS 4 HB2 HIS 4 -13.531 3.040 19.314 23 HB3 HIS 4 HB3 HIS 4 -13.161 2.335 20.884 24 HD1 HIS 4 HD1 HIS 4 -11.489 5.111 21.649 25 HD2 HIS 4 HD2 HIS 4 -15.494 4.648 20.614 26 HE1 HIS 4 HE1 HIS 4 -12.673 7.081 22.646 27 HE2 HIS 4 HE2 HIS 4 -15.094 6.646 22.208 28 H GLN 5 H GLN 5 -11.443 0.958 21.294 29 HA GLN 5 HA GLN 5 -9.610 -0.707 20.004 30 HB2 GLN 5 HB2 GLN 5 -11.926 -1.523 21.804 31 HB3 GLN 5 HB3 GLN 5 -10.611 -2.596 21.325 32 HG2 GLN 5 HG2 GLN 5 -8.990 -1.098 22.456 33 HG3 GLN 5 HG3 GLN 5 -10.317 -0.058 22.966 34 HE21 GLN 5 HE21 GLN 5 -11.762 -0.831 24.569 35 HE22 GLN 5 HE22 GLN 5 -11.354 -2.162 25.590 36 H GLU 6 H GLU 6 -13.136 -0.579 19.548 37 HA GLU 6 HA GLU 6 -13.361 -2.853 17.844 38 HB2 GLU 6 HB2 GLU 6 -15.256 -1.809 19.151 39 HB3 GLU 6 HB3 GLU 6 -15.266 -0.480 18.002 40 HG2 GLU 6 HG2 GLU 6 -17.043 -2.076 17.486 41 HG3 GLU 6 HG3 GLU 6 -15.852 -2.041 16.183 42 H TYR 7 H TYR 7 -13.135 0.652 17.186 43 HA TYR 7 HA TYR 7 -13.121 0.690 14.381 44 HB2 TYR 7 HB2 TYR 7 -13.252 2.733 15.752 45 HB3 TYR 7 HB3 TYR 7 -11.627 2.470 16.362 46 HD1 TYR 7 HD1 TYR 7 -13.600 3.455 13.363 47 HD2 TYR 7 HD2 TYR 7 -9.679 3.176 15.056 48 HE1 TYR 7 HE1 TYR 7 -12.702 4.849 11.542 49 HE2 TYR 7 HE2 TYR 7 -8.793 4.568 13.240 50 HH TYR 7 HH TYR 7 -10.766 6.327 11.124 51 H ILE 8 H ILE 8 -10.444 0.202 16.672 52 HA ILE 8 HA ILE 8 -8.286 -0.055 14.878 53 HB ILE 8 HB ILE 8 -8.701 -1.145 17.693 54 HG12 ILE 8 HG12 ILE 8 -7.042 1.205 16.672 55 HG13 ILE 8 HG13 ILE 8 -8.610 1.338 17.454 56 HG21 ILE 8 HG21 ILE 8 -6.263 -1.584 17.831 57 HG22 ILE 8 HG22 ILE 8 -6.106 -1.221 16.113 58 HG23 ILE 8 HG23 ILE 8 -7.052 -2.616 16.633 59 HD11 ILE 8 HD11 ILE 8 -7.630 0.442 19.526 60 HD12 ILE 8 HD12 ILE 8 -6.838 1.919 18.979 61 HD13 ILE 8 HD13 ILE 8 -6.055 0.359 18.728 62 H LYS 9 H LYS 9 -10.325 -2.591 16.391 63 HA LYS 9 HA LYS 9 -9.290 -4.896 15.243 64 HB2 LYS 9 HB2 LYS 9 -12.190 -4.219 15.878 65 HB3 LYS 9 HB3 LYS 9 -11.639 -5.840 15.468 66 HG2 LYS 9 HG2 LYS 9 -10.365 -6.013 17.491 67 HG3 LYS 9 HG3 LYS 9 -10.580 -4.300 17.852 68 HD2 LYS 9 HD2 LYS 9 -12.061 -5.686 19.254 69 HD3 LYS 9 HD3 LYS 9 -12.992 -4.638 18.180 70 HE2 LYS 9 HE2 LYS 9 -13.230 -6.626 16.608 71 HE3 LYS 9 HE3 LYS 9 -12.514 -7.626 17.873 72 HZ1 LYS 9 HZ1 LYS 9 -14.335 -6.918 19.333 73 HZ2 LYS 9 HZ2 LYS 9 -14.882 -7.749 17.969 74 HZ3 LYS 9 HZ3 LYS 9 -15.025 -6.066 18.048 75 H LYS 10 H LYS 10 -11.792 -2.722 13.945 76 HA LYS 10 HA LYS 10 -12.434 -4.185 11.612 77 HB2 LYS 10 HB2 LYS 10 -12.736 -1.217 12.231 78 HB3 LYS 10 HB3 LYS 10 -13.412 -1.994 10.800 79 HG2 LYS 10 HG2 LYS 10 -14.806 -3.436 12.245 80 HG3 LYS 10 HG3 LYS 10 -14.144 -2.640 13.673 81 HD2 LYS 10 HD2 LYS 10 -16.260 -1.604 13.283 82 HD3 LYS 10 HD3 LYS 10 -15.056 -0.441 12.734 83 HE2 LYS 10 HE2 LYS 10 -16.633 -2.309 10.917 84 HE3 LYS 10 HE3 LYS 10 -17.018 -0.616 11.198 85 HZ1 LYS 10 HZ1 LYS 10 -15.867 -0.791 9.160 86 HZ2 LYS 10 HZ2 LYS 10 -14.635 -1.725 9.829 87 HZ3 LYS 10 HZ3 LYS 10 -14.785 -0.095 10.254 88 H VAL 11 H VAL 11 -10.328 -1.269 11.983 89 HA VAL 11 HA VAL 11 -9.655 -1.195 9.210 90 HB VAL 11 HB VAL 11 -8.070 0.612 9.750 91 HG11 VAL 11 HG11 VAL 11 -10.454 1.179 9.486 92 HG12 VAL 11 HG12 VAL 11 -9.695 2.239 10.676 93 HG13 VAL 11 HG13 VAL 11 -10.730 0.912 11.211 94 HG21 VAL 11 HG21 VAL 11 -8.685 0.009 12.679 95 HG22 VAL 11 HG22 VAL 11 -7.782 1.412 12.101 96 HG23 VAL 11 HG23 VAL 11 -7.131 -0.210 11.870 97 H THR 12 H THR 12 -8.165 -2.776 11.960 98 HA THR 12 HA THR 12 -5.656 -3.401 10.690 99 HB THR 12 HB THR 12 -6.997 -4.724 13.093 100 HG1 THR 12 HG1 THR 12 -6.352 -2.932 14.007 101 HG21 THR 12 HG21 THR 12 -4.749 -5.613 13.652 102 HG22 THR 12 HG22 THR 12 -4.111 -4.967 12.138 103 HG23 THR 12 HG23 THR 12 -5.316 -6.257 12.110 104 H ASP 13 H ASP 13 -8.796 -5.088 10.980 105 HA ASP 13 HA ASP 13 -7.953 -7.484 9.618 106 HB2 ASP 13 HB2 ASP 13 -9.866 -7.405 11.249 107 HB3 ASP 13 HB3 ASP 13 -10.781 -6.432 10.106 108 H GLU 14 H GLU 14 -9.699 -4.549 8.640 109 HA GLU 14 HA GLU 14 -10.160 -5.156 5.907 110 HB2 GLU 14 HB2 GLU 14 -9.968 -2.463 7.327 111 HB3 GLU 14 HB3 GLU 14 -10.508 -2.662 5.660 112 HG2 GLU 14 HG2 GLU 14 -12.433 -3.991 6.431 113 HG3 GLU 14 HG3 GLU 14 -11.870 -3.850 8.099 114 H LEU 15 H LEU 15 -7.407 -3.881 7.655 115 HA LEU 15 HA LEU 15 -5.740 -3.055 5.562 116 HB2 LEU 15 HB2 LEU 15 -5.181 -2.565 7.832 117 HB3 LEU 15 HB3 LEU 15 -5.170 -4.249 8.288 118 HG LEU 15 HG LEU 15 -3.088 -3.381 6.287 119 HD11 LEU 15 HD11 LEU 15 -1.573 -2.560 8.040 120 HD12 LEU 15 HD12 LEU 15 -2.861 -2.705 9.241 121 HD13 LEU 15 HD13 LEU 15 -3.011 -1.543 7.920 122 HD21 LEU 15 HD21 LEU 15 -3.008 -5.267 8.673 123 HD22 LEU 15 HD22 LEU 15 -1.685 -4.997 7.534 124 HD23 LEU 15 HD23 LEU 15 -3.186 -5.735 6.981 125 H LYS 16 H LYS 16 -6.323 -6.383 6.818 126 HA LYS 16 HA LYS 16 -4.444 -7.736 5.141 127 HB2 LYS 16 HB2 LYS 16 -6.973 -8.705 6.512 128 HB3 LYS 16 HB3 LYS 16 -6.074 -9.771 5.450 129 HG2 LYS 16 HG2 LYS 16 -5.509 -10.257 7.729 130 HG3 LYS 16 HG3 LYS 16 -4.097 -9.565 6.926 131 HD2 LYS 16 HD2 LYS 16 -4.359 -7.472 8.060 132 HD3 LYS 16 HD3 LYS 16 -5.985 -7.890 8.612 133 HE2 LYS 16 HE2 LYS 16 -4.349 -8.032 10.443 134 HE3 LYS 16 HE3 LYS 16 -5.071 -9.606 10.098 135 HZ1 LYS 16 HZ1 LYS 16 -3.097 -10.222 8.889 136 HZ2 LYS 16 HZ2 LYS 16 -2.685 -9.739 10.452 137 HZ3 LYS 16 HZ3 LYS 16 -2.411 -8.700 9.151 138 H GLU 17 H GLU 17 -7.892 -6.982 4.711 139 HA GLU 17 HA GLU 17 -8.323 -8.126 2.158 140 HB2 GLU 17 HB2 GLU 17 -9.672 -5.703 3.427 141 HB3 GLU 17 HB3 GLU 17 -10.275 -6.558 2.008 142 HG2 GLU 17 HG2 GLU 17 -9.991 -7.737 4.795 143 HG3 GLU 17 HG3 GLU 17 -11.493 -7.168 4.068 144 H LEU 18 H LEU 18 -7.040 -5.055 3.149 145 HA LEU 18 HA LEU 18 -7.163 -3.745 0.613 146 HB2 LEU 18 HB2 LEU 18 -6.943 -2.917 3.225 147 HB3 LEU 18 HB3 LEU 18 -5.271 -2.763 2.735 148 HG LEU 18 HG LEU 18 -5.797 -1.105 1.069 149 HD11 LEU 18 HD11 LEU 18 -8.114 -0.418 0.559 150 HD12 LEU 18 HD12 LEU 18 -8.718 -1.746 1.559 151 HD13 LEU 18 HD13 LEU 18 -7.777 -2.087 0.102 152 HD21 LEU 18 HD21 LEU 18 -7.456 -0.498 3.546 153 HD22 LEU 18 HD22 LEU 18 -6.820 0.682 2.397 154 HD23 LEU 18 HD23 LEU 18 -5.713 -0.259 3.389 155 H ILE 19 H ILE 19 -4.501 -5.084 2.550 156 HA ILE 19 HA ILE 19 -2.368 -4.942 0.757 157 HB ILE 19 HB ILE 19 -3.067 -6.872 3.006 158 HG12 ILE 19 HG12 ILE 19 -0.886 -4.748 2.791 159 HG13 ILE 19 HG13 ILE 19 -2.443 -4.523 3.582 160 HG21 ILE 19 HG21 ILE 19 -0.471 -7.009 1.440 161 HG22 ILE 19 HG22 ILE 19 -1.715 -8.254 1.516 162 HG23 ILE 19 HG23 ILE 19 -0.792 -7.845 2.961 163 HD11 ILE 19 HD11 ILE 19 -1.857 -6.207 5.245 164 HD12 ILE 19 HD12 ILE 19 -0.661 -4.910 5.186 165 HD13 ILE 19 HD13 ILE 19 -0.302 -6.469 4.447 166 H GLN 20 H GLN 20 -4.841 -7.472 1.108 167 HA GLN 20 HA GLN 20 -3.914 -9.330 -0.784 168 HB2 GLN 20 HB2 GLN 20 -5.675 -9.766 0.918 169 HB3 GLN 20 HB3 GLN 20 -6.780 -8.706 0.051 170 HG2 GLN 20 HG2 GLN 20 -6.847 -10.241 -1.839 171 HG3 GLN 20 HG3 GLN 20 -5.614 -11.261 -1.097 172 HE21 GLN 20 HE21 GLN 20 -8.962 -10.265 -0.960 173 HE22 GLN 20 HE22 GLN 20 -9.493 -11.533 0.082 174 H ASN 21 H ASN 21 -6.163 -6.577 -1.180 175 HA ASN 21 HA ASN 21 -6.736 -6.986 -3.942 176 HB2 ASN 21 HB2 ASN 21 -7.057 -4.583 -2.111 177 HB3 ASN 21 HB3 ASN 21 -7.502 -4.514 -3.812 178 HD21 ASN 21 HD21 ASN 21 -7.996 -7.432 -1.862 179 HD22 ASN 21 HD22 ASN 21 -9.711 -7.321 -1.844 180 H VAL 22 H VAL 22 -4.311 -4.932 -2.293 181 HA VAL 22 HA VAL 22 -3.306 -3.643 -4.619 182 HB VAL 22 HB VAL 22 -2.011 -4.109 -1.896 183 HG11 VAL 22 HG11 VAL 22 -0.310 -2.405 -2.532 184 HG12 VAL 22 HG12 VAL 22 -0.925 -2.416 -4.188 185 HG13 VAL 22 HG13 VAL 22 -0.179 -3.867 -3.513 186 HG21 VAL 22 HG21 VAL 22 -3.950 -2.600 -1.881 187 HG22 VAL 22 HG22 VAL 22 -3.228 -1.630 -3.169 188 HG23 VAL 22 HG23 VAL 22 -2.466 -1.692 -1.577 189 H ASN 23 H ASN 23 -2.015 -6.484 -2.821 190 HA ASN 23 HA ASN 23 0.114 -7.108 -4.537 191 HB2 ASN 23 HB2 ASN 23 -1.481 -8.821 -2.608 192 HB3 ASN 23 HB3 ASN 23 -0.219 -9.535 -3.596 193 HD21 ASN 23 HD21 ASN 23 -0.869 -7.873 -0.732 194 HD22 ASN 23 HD22 ASN 23 0.757 -7.536 -0.275 195 H ASP 24 H ASP 24 -3.309 -8.059 -4.709 196 HA ASP 24 HA ASP 24 -3.102 -9.901 -6.868 197 HB2 ASP 24 HB2 ASP 24 -5.045 -9.716 -5.267 198 HB3 ASP 24 HB3 ASP 24 -5.513 -8.214 -6.057 199 H ASP 25 H ASP 25 -3.868 -6.423 -6.753 200 HA ASP 25 HA ASP 25 -4.141 -5.926 -9.519 201 HB2 ASP 25 HB2 ASP 25 -3.664 -4.237 -7.066 202 HB3 ASP 25 HB3 ASP 25 -3.355 -3.487 -8.631 203 H ILE 26 H ILE 26 -1.241 -5.921 -7.444 204 HA ILE 26 HA ILE 26 0.582 -4.848 -9.336 205 HB ILE 26 HB ILE 26 1.031 -6.583 -6.876 206 HG12 ILE 26 HG12 ILE 26 1.574 -3.621 -7.395 207 HG13 ILE 26 HG13 ILE 26 0.208 -4.258 -6.490 208 HG21 ILE 26 HG21 ILE 26 3.454 -6.075 -7.016 209 HG22 ILE 26 HG22 ILE 26 3.203 -5.321 -8.590 210 HG23 ILE 26 HG23 ILE 26 2.913 -7.049 -8.385 211 HD11 ILE 26 HD11 ILE 26 3.113 -4.443 -5.690 212 HD12 ILE 26 HD12 ILE 26 1.751 -5.104 -4.780 213 HD13 ILE 26 HD13 ILE 26 1.894 -3.363 -5.014 214 H LYS 27 H LYS 27 -0.508 -8.181 -8.725 215 HA LYS 27 HA LYS 27 1.127 -9.572 -10.581 216 HB2 LYS 27 HB2 LYS 27 -1.763 -10.153 -9.807 217 HB3 LYS 27 HB3 LYS 27 -0.662 -11.303 -10.563 218 HG2 LYS 27 HG2 LYS 27 0.682 -11.464 -8.597 219 HG3 LYS 27 HG3 LYS 27 -0.076 -10.040 -7.877 220 HD2 LYS 27 HD2 LYS 27 -2.243 -11.316 -7.776 221 HD3 LYS 27 HD3 LYS 27 -1.378 -12.752 -8.336 222 HE2 LYS 27 HE2 LYS 27 0.027 -12.709 -6.323 223 HE3 LYS 27 HE3 LYS 27 -0.747 -11.215 -5.789 224 HZ1 LYS 27 HZ1 LYS 27 -1.597 -13.219 -4.694 225 HZ2 LYS 27 HZ2 LYS 27 -2.161 -13.788 -6.180 226 HZ3 LYS 27 HZ3 LYS 27 -2.802 -12.372 -5.519 227 H GLU 28 H GLU 28 -1.884 -7.772 -10.984 228 HA GLU 28 HA GLU 28 -2.208 -8.316 -13.790 229 HB2 GLU 28 HB2 GLU 28 -3.489 -6.112 -12.124 230 HB3 GLU 28 HB3 GLU 28 -4.037 -6.693 -13.697 231 HG2 GLU 28 HG2 GLU 28 -4.052 -8.234 -11.080 232 HG3 GLU 28 HG3 GLU 28 -5.452 -7.575 -11.923 233 H VAL 29 H VAL 29 -0.473 -5.847 -11.941 234 HA VAL 29 HA VAL 29 0.179 -4.281 -14.285 235 HB VAL 29 HB VAL 29 1.729 -4.300 -11.654 236 HG11 VAL 29 HG11 VAL 29 2.435 -2.057 -12.357 237 HG12 VAL 29 HG12 VAL 29 1.479 -2.186 -13.827 238 HG13 VAL 29 HG13 VAL 29 2.878 -3.240 -13.584 239 HG21 VAL 29 HG21 VAL 29 -0.648 -2.542 -12.406 240 HG22 VAL 29 HG22 VAL 29 0.378 -2.317 -10.984 241 HG23 VAL 29 HG23 VAL 29 -0.620 -3.766 -11.134 242 H GLU 30 H GLU 30 1.499 -7.198 -12.803 243 HA GLU 30 HA GLU 30 4.058 -7.163 -14.073 244 HB2 GLU 30 HB2 GLU 30 2.419 -9.462 -12.948 245 HB3 GLU 30 HB3 GLU 30 4.038 -9.680 -13.612 246 HG2 GLU 30 HG2 GLU 30 4.935 -8.114 -11.912 247 HG3 GLU 30 HG3 GLU 30 3.321 -7.932 -11.230 248 H LYS 31 H LYS 31 0.882 -7.953 -15.293 249 HA LYS 31 HA LYS 31 1.972 -9.057 -17.792 250 HB2 LYS 31 HB2 LYS 31 -0.367 -9.423 -18.461 251 HB3 LYS 31 HB3 LYS 31 -0.045 -10.120 -16.877 252 HG2 LYS 31 HG2 LYS 31 -1.101 -8.095 -15.842 253 HG3 LYS 31 HG3 LYS 31 -1.538 -7.541 -17.457 254 HD2 LYS 31 HD2 LYS 31 -3.450 -8.622 -16.374 255 HD3 LYS 31 HD3 LYS 31 -2.931 -9.577 -17.765 256 HE2 LYS 31 HE2 LYS 31 -1.844 -11.199 -16.313 257 HE3 LYS 31 HE3 LYS 31 -2.123 -10.189 -14.894 258 HZ1 LYS 31 HZ1 LYS 31 -4.316 -11.317 -16.533 259 HZ2 LYS 31 HZ2 LYS 31 -4.422 -10.594 -15.004 260 HZ3 LYS 31 HZ3 LYS 31 -3.666 -12.090 -15.179 261 H ASN 32 H ASN 32 0.653 -6.020 -16.546 262 HA ASN 32 HA ASN 32 1.439 -4.660 -19.056 263 HB2 ASN 32 HB2 ASN 32 -1.081 -4.985 -19.012 264 HB3 ASN 32 HB3 ASN 32 -1.140 -3.986 -17.568 265 HD21 ASN 32 HD21 ASN 32 -2.474 -3.464 -20.012 266 HD22 ASN 32 HD22 ASN 32 -1.872 -1.970 -20.633 267 HA PRO 33 HA PRO 33 3.414 -2.605 -15.382 268 HB2 PRO 33 HB2 PRO 33 5.675 -1.725 -16.635 269 HB3 PRO 33 HB3 PRO 33 5.472 -3.404 -16.107 270 HG2 PRO 33 HG2 PRO 33 5.049 -2.221 -18.856 271 HG3 PRO 33 HG3 PRO 33 5.927 -3.699 -18.408 272 HD2 PRO 33 HD2 PRO 33 3.371 -3.767 -19.350 273 HD3 PRO 33 HD3 PRO 33 3.957 -4.941 -18.145 274 H GLU 34 H GLU 34 2.295 -1.355 -18.372 275 HA GLU 34 HA GLU 34 2.801 1.474 -17.740 276 HB2 GLU 34 HB2 GLU 34 1.525 0.263 -20.237 277 HB3 GLU 34 HB3 GLU 34 2.173 1.893 -20.056 278 HG2 GLU 34 HG2 GLU 34 4.448 0.970 -19.861 279 HG3 GLU 34 HG3 GLU 34 3.805 -0.665 -19.999 280 H ASP 35 H ASP 35 0.469 -0.682 -16.837 281 HA ASP 35 HA ASP 35 -1.928 0.691 -17.628 282 HB2 ASP 35 HB2 ASP 35 -1.604 -1.861 -17.010 283 HB3 ASP 35 HB3 ASP 35 -1.887 -1.320 -15.358 284 H MET 36 H MET 36 -1.753 2.774 -16.914 285 HA MET 36 HA MET 36 -1.014 3.658 -14.325 286 HB2 MET 36 HB2 MET 36 -2.570 5.050 -16.530 287 HB3 MET 36 HB3 MET 36 -1.934 5.853 -15.109 288 HG2 MET 36 HG2 MET 36 -0.225 4.428 -17.171 289 HG3 MET 36 HG3 MET 36 -0.549 6.162 -17.158 290 HE1 MET 36 HE1 MET 36 1.880 3.434 -16.056 291 HE2 MET 36 HE2 MET 36 0.832 3.284 -14.643 292 HE3 MET 36 HE3 MET 36 2.454 3.948 -14.470 293 H GLU 37 H GLU 37 -4.052 2.639 -15.647 294 HA GLU 37 HA GLU 37 -5.805 3.765 -13.719 295 HB2 GLU 37 HB2 GLU 37 -6.559 2.974 -15.926 296 HB3 GLU 37 HB3 GLU 37 -6.174 1.312 -15.491 297 HG2 GLU 37 HG2 GLU 37 -7.931 1.262 -13.835 298 HG3 GLU 37 HG3 GLU 37 -8.215 2.994 -14.003 299 H TYR 38 H TYR 38 -4.292 0.523 -13.965 300 HA TYR 38 HA TYR 38 -5.307 -0.452 -11.471 301 HB2 TYR 38 HB2 TYR 38 -3.366 -1.439 -13.528 302 HB3 TYR 38 HB3 TYR 38 -3.129 -2.095 -11.908 303 HD1 TYR 38 HD2 TYR 38 -5.839 -1.499 -14.450 304 HD2 TYR 38 HD1 TYR 38 -4.461 -3.963 -11.244 305 HE1 TYR 38 HE2 TYR 38 -7.743 -3.008 -14.788 306 HE2 TYR 38 HE1 TYR 38 -6.377 -5.461 -11.574 307 HH TYR 38 HH TYR 38 -8.359 -5.341 -14.326 308 H TRP 39 H TRP 39 -2.370 1.307 -12.332 309 HA TRP 39 HA TRP 39 -1.223 1.237 -9.718 310 HB2 TRP 39 HB2 TRP 39 -0.772 2.965 -12.157 311 HB3 TRP 39 HB3 TRP 39 -0.031 3.419 -10.629 312 HD1 TRP 39 HD1 TRP 39 1.001 1.759 -13.602 313 HE1 TRP 39 HE1 TRP 39 2.904 0.091 -13.194 314 HE3 TRP 39 HE3 TRP 39 0.564 1.236 -8.520 315 HZ2 TRP 39 HZ2 TRP 39 4.046 -1.308 -11.013 316 HZ3 TRP 39 HZ3 TRP 39 2.092 -0.298 -7.356 317 HH2 TRP 39 HH2 TRP 39 3.803 -1.545 -8.578 318 H ASN 40 H ASN 40 -3.607 3.405 -11.234 319 HA ASN 40 HA ASN 40 -3.714 5.361 -9.192 320 HB2 ASN 40 HB2 ASN 40 -4.528 5.687 -11.504 321 HB3 ASN 40 HB3 ASN 40 -5.755 4.452 -11.264 322 HD21 ASN 40 HD21 ASN 40 -7.377 5.838 -11.766 323 HD22 ASN 40 HD22 ASN 40 -7.868 7.102 -10.729 324 H LYS 41 H LYS 41 -5.425 2.279 -9.733 325 HA LYS 41 HA LYS 41 -7.229 2.305 -7.567 326 HB2 LYS 41 HB2 LYS 41 -5.783 -0.033 -8.881 327 HB3 LYS 41 HB3 LYS 41 -7.079 -0.229 -7.706 328 HG2 LYS 41 HG2 LYS 41 -8.635 0.944 -9.258 329 HG3 LYS 41 HG3 LYS 41 -7.326 1.091 -10.433 330 HD2 LYS 41 HD2 LYS 41 -8.723 -0.807 -11.049 331 HD3 LYS 41 HD3 LYS 41 -7.148 -1.397 -10.513 332 HE2 LYS 41 HE2 LYS 41 -8.302 -1.696 -8.179 333 HE3 LYS 41 HE3 LYS 41 -9.816 -1.567 -9.077 334 HZ1 LYS 41 HZ1 LYS 41 -9.196 -3.853 -8.831 335 HZ2 LYS 41 HZ2 LYS 41 -7.662 -3.574 -9.477 336 HZ3 LYS 41 HZ3 LYS 41 -9.036 -3.438 -10.465 337 H ILE 42 H ILE 42 -3.955 0.871 -7.754 338 HA ILE 42 HA ILE 42 -3.627 0.067 -5.091 339 HB ILE 42 HB ILE 42 -1.588 0.897 -7.200 340 HG12 ILE 42 HG12 ILE 42 -2.390 -1.879 -6.210 341 HG13 ILE 42 HG13 ILE 42 -3.055 -1.117 -7.651 342 HG21 ILE 42 HG21 ILE 42 -0.470 1.173 -5.033 343 HG22 ILE 42 HG22 ILE 42 0.173 -0.243 -5.866 344 HG23 ILE 42 HG23 ILE 42 -0.972 -0.447 -4.539 345 HD11 ILE 42 HD11 ILE 42 -0.163 -1.877 -7.229 346 HD12 ILE 42 HD12 ILE 42 -0.844 -1.150 -8.687 347 HD13 ILE 42 HD13 ILE 42 -1.349 -2.764 -8.188 348 H TYR 43 H TYR 43 -2.878 3.200 -6.600 349 HA TYR 43 HA TYR 43 -1.616 4.530 -4.469 350 HB2 TYR 43 HB2 TYR 43 -1.605 5.348 -6.790 351 HB3 TYR 43 HB3 TYR 43 -3.340 5.616 -6.738 352 HD1 TYR 43 HD2 TYR 43 -0.096 6.780 -5.266 353 HD2 TYR 43 HD1 TYR 43 -4.203 7.740 -5.998 354 HE1 TYR 43 HE2 TYR 43 0.307 9.096 -4.552 355 HE2 TYR 43 HE1 TYR 43 -3.785 10.057 -5.285 356 HH TYR 43 HH TYR 43 -0.725 11.363 -4.989 357 H ARG 44 H ARG 44 -5.072 4.355 -5.346 358 HA ARG 44 HA ARG 44 -6.055 6.013 -3.226 359 HB2 ARG 44 HB2 ARG 44 -7.423 4.044 -5.096 360 HB3 ARG 44 HB3 ARG 44 -8.313 5.009 -3.916 361 HG2 ARG 44 HG2 ARG 44 -7.618 7.077 -5.002 362 HG3 ARG 44 HG3 ARG 44 -6.572 6.191 -6.116 363 HD2 ARG 44 HD2 ARG 44 -8.501 5.136 -7.162 364 HD3 ARG 44 HD3 ARG 44 -9.595 5.868 -5.981 365 HE ARG 44 HE ARG 44 -8.488 8.044 -7.050 366 HH11 ARG 44 HH11 ARG 44 -9.697 5.263 -8.698 367 HH12 ARG 44 HH12 ARG 44 -10.232 6.176 -10.062 368 HH21 ARG 44 HH21 ARG 44 -9.171 9.189 -8.798 369 HH22 ARG 44 HH22 ARG 44 -9.943 8.375 -10.111 370 H LEU 45 H LEU 45 -5.472 2.526 -3.474 371 HA LEU 45 HA LEU 45 -6.843 1.796 -1.050 372 HB2 LEU 45 HB2 LEU 45 -4.642 0.326 -2.560 373 HB3 LEU 45 HB3 LEU 45 -5.627 -0.369 -1.278 374 HG LEU 45 HG LEU 45 -6.672 0.570 -3.983 375 HD11 LEU 45 HD11 LEU 45 -5.320 -1.442 -4.216 376 HD12 LEU 45 HD12 LEU 45 -7.020 -1.794 -4.508 377 HD13 LEU 45 HD13 LEU 45 -6.274 -2.260 -2.974 378 HD21 LEU 45 HD21 LEU 45 -8.812 -0.452 -3.347 379 HD22 LEU 45 HD22 LEU 45 -8.372 0.848 -2.244 380 HD23 LEU 45 HD23 LEU 45 -8.171 -0.835 -1.747 381 H VAL 46 H VAL 46 -3.442 2.527 -1.846 382 HA VAL 46 HA VAL 46 -2.335 2.177 0.760 383 HB VAL 46 HB VAL 46 -1.301 3.739 -1.652 384 HG11 VAL 46 HG11 VAL 46 -0.243 4.664 0.371 385 HG12 VAL 46 HG12 VAL 46 0.932 3.727 -0.553 386 HG13 VAL 46 HG13 VAL 46 0.206 3.042 0.903 387 HG21 VAL 46 HG21 VAL 46 0.200 1.788 -1.971 388 HG22 VAL 46 HG22 VAL 46 -1.495 1.300 -2.023 389 HG23 VAL 46 HG23 VAL 46 -0.534 0.992 -0.574 390 H HIS 47 H HIS 47 -3.886 4.913 -0.830 391 HA HIS 47 HA HIS 47 -3.398 7.029 0.931 392 HB2 HIS 47 HB2 HIS 47 -4.589 7.464 -1.109 393 HB3 HIS 47 HB3 HIS 47 -5.836 6.289 -0.731 394 HD1 HIS 47 HD1 HIS 47 -7.896 7.145 0.412 395 HD2 HIS 47 HD2 HIS 47 -4.810 9.930 0.465 396 HE1 HIS 47 HE1 HIS 47 -8.925 9.265 1.254 397 HE2 HIS 47 HE2 HIS 47 -7.091 10.969 1.119 398 H THR 48 H THR 48 -5.821 4.420 1.176 399 HA THR 48 HA THR 48 -6.968 5.281 3.665 400 HB THR 48 HB THR 48 -7.102 2.542 2.329 401 HG1 THR 48 HG1 THR 48 -9.049 3.320 1.471 402 HG21 THR 48 HG21 THR 48 -8.865 3.741 4.510 403 HG22 THR 48 HG22 THR 48 -7.753 2.381 4.702 404 HG23 THR 48 HG23 THR 48 -9.176 2.217 3.672 405 H MET 49 H MET 49 -4.519 2.808 2.782 406 HA MET 49 HA MET 49 -4.033 1.622 5.279 407 HB2 MET 49 HB2 MET 49 -2.024 2.169 3.058 408 HB3 MET 49 HB3 MET 49 -1.753 1.066 4.403 409 HG2 MET 49 HG2 MET 49 -3.590 -0.341 3.620 410 HG3 MET 49 HG3 MET 49 -3.871 0.774 2.278 411 HE1 MET 49 HE1 MET 49 -2.303 -2.289 0.470 412 HE2 MET 49 HE2 MET 49 -3.717 -1.240 0.636 413 HE3 MET 49 HE3 MET 49 -3.308 -2.392 1.912 414 H LYS 50 H LYS 50 -2.591 4.517 3.854 415 HA LYS 50 HA LYS 50 -0.703 5.119 5.849 416 HB2 LYS 50 HB2 LYS 50 -0.774 6.130 3.543 417 HB3 LYS 50 HB3 LYS 50 -2.159 7.093 4.037 418 HG2 LYS 50 HG2 LYS 50 -0.796 8.240 5.727 419 HG3 LYS 50 HG3 LYS 50 0.594 7.233 5.322 420 HD2 LYS 50 HD2 LYS 50 0.901 9.374 4.246 421 HD3 LYS 50 HD3 LYS 50 0.523 8.200 2.983 422 HE2 LYS 50 HE2 LYS 50 -0.711 10.269 2.580 423 HE3 LYS 50 HE3 LYS 50 -1.846 8.987 3.002 424 HZ1 LYS 50 HZ1 LYS 50 -2.358 11.054 4.132 425 HZ2 LYS 50 HZ2 LYS 50 -0.835 11.064 4.865 426 HZ3 LYS 50 HZ3 LYS 50 -1.944 9.849 5.237 427 H GLU 51 H GLU 51 -4.040 6.289 5.359 428 HA GLU 51 HA GLU 51 -4.340 7.952 7.550 429 HB2 GLU 51 HB2 GLU 51 -6.000 7.822 5.764 430 HB3 GLU 51 HB3 GLU 51 -6.369 6.148 6.167 431 HG2 GLU 51 HG2 GLU 51 -7.251 6.897 8.363 432 HG3 GLU 51 HG3 GLU 51 -6.930 8.565 7.904 433 H ILE 52 H ILE 52 -4.828 4.418 7.362 434 HA ILE 52 HA ILE 52 -5.832 3.882 9.924 435 HB ILE 52 HB ILE 52 -4.074 2.137 8.136 436 HG12 ILE 52 HG12 ILE 52 -7.104 2.093 8.541 437 HG13 ILE 52 HG13 ILE 52 -6.287 2.821 7.165 438 HG21 ILE 52 HG21 ILE 52 -3.904 1.279 10.429 439 HG22 ILE 52 HG22 ILE 52 -4.860 0.172 9.445 440 HG23 ILE 52 HG23 ILE 52 -5.663 1.259 10.582 441 HD11 ILE 52 HD11 ILE 52 -6.294 -0.115 7.876 442 HD12 ILE 52 HD12 ILE 52 -5.452 0.607 6.500 443 HD13 ILE 52 HD13 ILE 52 -7.211 0.663 6.585 444 H THR 53 H THR 53 -2.371 3.677 8.869 445 HA THR 53 HA THR 53 -1.391 3.237 11.517 446 HB THR 53 HB THR 53 0.017 2.412 9.794 447 HG1 THR 53 HG1 THR 53 1.443 4.703 10.615 448 HG21 THR 53 HG21 THR 53 1.144 3.819 8.117 449 HG22 THR 53 HG22 THR 53 0.243 5.223 8.693 450 HG23 THR 53 HG23 THR 53 -0.614 3.881 7.927 451 H GLU 54 H GLU 54 -2.023 6.217 9.730 452 HA GLU 54 HA GLU 54 -0.530 8.003 11.379 453 HB2 GLU 54 HB2 GLU 54 -2.915 8.464 9.560 454 HB3 GLU 54 HB3 GLU 54 -2.144 9.778 10.442 455 HG2 GLU 54 HG2 GLU 54 -0.044 9.364 9.274 456 HG3 GLU 54 HG3 GLU 54 -0.750 7.986 8.436 457 H THR 55 H THR 55 -3.971 6.921 11.557 458 HA THR 55 HA THR 55 -4.574 8.510 13.888 459 HB THR 55 HB THR 55 -6.390 7.740 12.343 460 HG1 THR 55 HG1 THR 55 -7.866 7.297 14.050 461 HG21 THR 55 HG21 THR 55 -7.326 5.463 12.555 462 HG22 THR 55 HG22 THR 55 -5.982 5.003 13.602 463 HG23 THR 55 HG23 THR 55 -5.682 5.420 11.914 464 H MET 56 H MET 56 -3.116 5.379 13.403 465 HA MET 56 HA MET 56 -3.216 4.487 16.149 466 HB2 MET 56 HB2 MET 56 -1.337 3.681 13.889 467 HB3 MET 56 HB3 MET 56 -1.458 2.861 15.442 468 HG2 MET 56 HG2 MET 56 -3.641 3.051 13.369 469 HG3 MET 56 HG3 MET 56 -2.631 1.644 13.701 470 HE1 MET 56 HE1 MET 56 -6.025 0.406 15.035 471 HE2 MET 56 HE2 MET 56 -4.604 0.029 14.063 472 HE3 MET 56 HE3 MET 56 -5.687 1.336 13.576 473 H GLY 57 H GLY 57 -1.295 6.799 14.445 474 HA2 GLY 57 HA2 GLY 57 0.154 8.380 15.360 475 HA3 GLY 57 HA3 GLY 57 0.266 7.430 16.829 476 H PHE 58 H PHE 58 0.823 5.598 13.977 477 HA PHE 58 HA PHE 58 3.699 5.430 14.532 478 HB2 PHE 58 HB2 PHE 58 1.823 3.832 12.761 479 HB3 PHE 58 HB3 PHE 58 3.555 3.569 12.751 480 HD1 PHE 58 HD2 PHE 58 4.681 2.773 14.918 481 HD2 PHE 58 HD1 PHE 58 0.442 2.905 14.447 482 HE1 PHE 58 HE2 PHE 58 4.414 1.261 16.846 483 HE2 PHE 58 HE1 PHE 58 0.164 1.404 16.370 484 HZ PHE 58 HZ PHE 58 2.159 0.580 17.579 485 H SER 59 H SER 59 4.472 7.401 13.780 486 HA SER 59 HA SER 59 4.004 8.514 11.190 487 HB2 SER 59 HB2 SER 59 6.346 8.996 13.091 488 HB3 SER 59 HB3 SER 59 5.881 10.025 11.730 489 HG SER 59 HG SER 59 4.083 10.649 12.797 490 H SER 60 H SER 60 6.428 6.348 12.519 491 HA SER 60 HA SER 60 8.300 6.235 10.413 492 HB2 SER 60 HB2 SER 60 8.969 4.045 11.471 493 HB3 SER 60 HB3 SER 60 8.816 5.360 12.636 494 HG SER 60 HG SER 60 7.670 3.063 12.814 495 H VAL 61 H VAL 61 5.465 4.193 11.105 496 HA VAL 61 HA VAL 61 5.725 2.513 8.794 497 HB VAL 61 HB VAL 61 3.223 2.981 10.466 498 HG11 VAL 61 HG11 VAL 61 4.016 0.606 8.725 499 HG12 VAL 61 HG12 VAL 61 2.746 1.783 8.368 500 HG13 VAL 61 HG13 VAL 61 2.576 0.690 9.745 501 HG21 VAL 61 HG21 VAL 61 5.091 2.396 11.953 502 HG22 VAL 61 HG22 VAL 61 5.462 0.977 10.967 503 HG23 VAL 61 HG23 VAL 61 3.938 1.062 11.857 504 H ALA 62 H ALA 62 3.710 5.357 9.582 505 HA ALA 62 HA ALA 62 2.230 5.614 7.217 506 HB1 ALA 62 HB1 ALA 62 3.272 7.866 8.980 507 HB2 ALA 62 HB2 ALA 62 1.742 7.005 9.176 508 HB3 ALA 62 HB3 ALA 62 2.003 8.021 7.751 509 H LYS 63 H LYS 63 5.571 6.541 7.905 510 HA LYS 63 HA LYS 63 6.156 8.001 5.560 511 HB2 LYS 63 HB2 LYS 63 7.663 8.031 7.481 512 HB3 LYS 63 HB3 LYS 63 7.968 6.303 7.324 513 HG2 LYS 63 HG2 LYS 63 9.074 6.710 5.132 514 HG3 LYS 63 HG3 LYS 63 8.787 8.444 5.327 515 HD2 LYS 63 HD2 LYS 63 10.243 8.507 7.291 516 HD3 LYS 63 HD3 LYS 63 10.434 6.750 7.248 517 HE2 LYS 63 HE2 LYS 63 11.590 6.937 5.066 518 HE3 LYS 63 HE3 LYS 63 11.405 8.691 5.118 519 HZ1 LYS 63 HZ1 LYS 63 12.781 8.775 7.063 520 HZ2 LYS 63 HZ2 LYS 63 13.598 7.929 5.847 521 HZ3 LYS 63 HZ3 LYS 63 12.888 7.089 7.127 522 H VAL 64 H VAL 64 6.471 4.481 6.251 523 HA VAL 64 HA VAL 64 7.598 3.653 3.805 524 HB VAL 64 HB VAL 64 5.688 2.056 5.579 525 HG11 VAL 64 HG11 VAL 64 5.939 1.008 3.347 526 HG12 VAL 64 HG12 VAL 64 6.720 0.029 4.591 527 HG13 VAL 64 HG13 VAL 64 7.698 1.036 3.521 528 HG21 VAL 64 HG21 VAL 64 7.727 1.122 6.643 529 HG22 VAL 64 HG22 VAL 64 7.618 2.869 6.872 530 HG23 VAL 64 HG23 VAL 64 8.729 2.205 5.670 531 H LEU 65 H LEU 65 4.176 3.938 4.754 532 HA LEU 65 HA LEU 65 3.082 3.145 2.226 533 HB2 LEU 65 HB2 LEU 65 1.896 4.563 4.643 534 HB3 LEU 65 HB3 LEU 65 0.949 4.286 3.194 535 HG LEU 65 HG LEU 65 0.455 2.581 4.884 536 HD11 LEU 65 HD11 LEU 65 0.765 0.565 3.523 537 HD12 LEU 65 HD12 LEU 65 1.967 1.397 2.531 538 HD13 LEU 65 HD13 LEU 65 0.285 1.938 2.525 539 HD21 LEU 65 HD21 LEU 65 2.146 0.905 5.573 540 HD22 LEU 65 HD22 LEU 65 2.527 2.536 6.124 541 HD23 LEU 65 HD23 LEU 65 3.394 1.855 4.745 542 H HIS 66 H HIS 66 4.029 6.233 3.617 543 HA HIS 66 HA HIS 66 2.823 7.955 1.696 544 HB2 HIS 66 HB2 HIS 66 3.630 8.601 4.022 545 HB3 HIS 66 HB3 HIS 66 5.273 8.571 3.401 546 HD1 HIS 66 HD1 HIS 66 6.063 10.627 2.167 547 HD2 HIS 66 HD2 HIS 66 1.981 10.685 2.942 548 HE1 HIS 66 HE1 HIS 66 5.308 12.935 1.556 549 HE2 HIS 66 HE2 HIS 66 2.813 12.880 1.820 550 H THR 67 H THR 67 5.885 6.161 1.769 551 HA THR 67 HA THR 67 7.135 7.573 -0.433 552 HB THR 67 HB THR 67 8.774 5.763 -0.597 553 HG1 THR 67 HG1 THR 67 6.811 4.259 0.598 554 HG21 THR 67 HG21 THR 67 8.163 6.274 2.324 555 HG22 THR 67 HG22 THR 67 9.115 7.325 1.276 556 HG23 THR 67 HG23 THR 67 9.697 5.706 1.671 557 H ILE 68 H ILE 68 4.728 5.056 -0.195 558 HA ILE 68 HA ILE 68 5.142 3.946 -2.849 559 HB ILE 68 HB ILE 68 2.686 3.579 -1.072 560 HG12 ILE 68 HG12 ILE 68 4.486 2.898 0.351 561 HG13 ILE 68 HG13 ILE 68 3.842 1.407 -0.315 562 HG21 ILE 68 HG21 ILE 68 2.398 1.450 -2.298 563 HG22 ILE 68 HG22 ILE 68 3.812 1.824 -3.288 564 HG23 ILE 68 HG23 ILE 68 2.369 2.838 -3.390 565 HD11 ILE 68 HD11 ILE 68 6.247 1.363 -0.220 566 HD12 ILE 68 HD12 ILE 68 6.360 2.823 -1.198 567 HD13 ILE 68 HD13 ILE 68 5.718 1.330 -1.905 568 H MET 69 H MET 69 3.109 6.294 -1.243 569 HA MET 69 HA MET 69 1.310 6.898 -3.337 570 HB2 MET 69 HB2 MET 69 2.285 8.875 -1.236 571 HB3 MET 69 HB3 MET 69 0.746 8.877 -2.093 572 HG2 MET 69 HG2 MET 69 0.402 6.552 -0.908 573 HG3 MET 69 HG3 MET 69 1.658 7.133 0.168 574 HE1 MET 69 HE1 MET 69 -1.049 9.410 -1.605 575 HE2 MET 69 HE2 MET 69 -2.312 9.455 -0.376 576 HE3 MET 69 HE3 MET 69 -1.980 7.954 -1.242 577 H ASN 70 H ASN 70 4.414 8.398 -2.384 578 HA ASN 70 HA ASN 70 4.639 10.296 -4.464 579 HB2 ASN 70 HB2 ASN 70 6.070 10.277 -2.412 580 HB3 ASN 70 HB3 ASN 70 6.880 8.826 -3.000 581 HD21 ASN 70 HD21 ASN 70 5.972 11.655 -4.966 582 HD22 ASN 70 HD22 ASN 70 7.587 12.122 -5.332 583 H LEU 71 H LEU 71 5.775 6.956 -4.228 584 HA LEU 71 HA LEU 71 7.348 6.772 -6.544 585 HB2 LEU 71 HB2 LEU 71 7.128 5.229 -4.447 586 HB3 LEU 71 HB3 LEU 71 5.824 4.442 -5.310 587 HG LEU 71 HG LEU 71 8.697 4.598 -6.322 588 HD11 LEU 71 HD11 LEU 71 8.622 3.316 -4.226 589 HD12 LEU 71 HD12 LEU 71 8.961 2.260 -5.594 590 HD13 LEU 71 HD13 LEU 71 7.346 2.282 -4.880 591 HD21 LEU 71 HD21 LEU 71 6.353 2.902 -7.273 592 HD22 LEU 71 HD22 LEU 71 8.018 2.750 -7.846 593 HD23 LEU 71 HD23 LEU 71 7.118 4.232 -8.147 594 H VAL 72 H VAL 72 3.977 5.724 -6.017 595 HA VAL 72 HA VAL 72 3.544 4.864 -8.714 596 HB VAL 72 HB VAL 72 1.526 5.272 -6.466 597 HG11 VAL 72 HG11 VAL 72 1.262 3.748 -9.086 598 HG12 VAL 72 HG12 VAL 72 0.423 5.245 -8.667 599 HG13 VAL 72 HG13 VAL 72 0.064 3.759 -7.785 600 HG21 VAL 72 HG21 VAL 72 2.956 2.733 -7.375 601 HG22 VAL 72 HG22 VAL 72 1.712 2.821 -6.125 602 HG23 VAL 72 HG23 VAL 72 3.271 3.610 -5.872 603 H ASP 73 H ASP 73 2.745 7.838 -6.917 604 HA ASP 73 HA ASP 73 1.049 9.068 -8.825 605 HB2 ASP 73 HB2 ASP 73 1.342 9.861 -6.476 606 HB3 ASP 73 HB3 ASP 73 2.967 10.410 -6.870 607 H LYS 74 H LYS 74 4.578 8.967 -8.547 608 HA LYS 74 HA LYS 74 5.272 10.650 -10.707 609 HB2 LYS 74 HB2 LYS 74 6.693 8.331 -9.385 610 HB3 LYS 74 HB3 LYS 74 7.414 9.210 -10.730 611 HG2 LYS 74 HG2 LYS 74 7.231 11.321 -9.378 612 HG3 LYS 74 HG3 LYS 74 6.668 10.343 -8.015 613 HD2 LYS 74 HD2 LYS 74 8.787 9.093 -8.011 614 HD3 LYS 74 HD3 LYS 74 9.342 9.990 -9.428 615 HE2 LYS 74 HE2 LYS 74 9.287 12.087 -8.087 616 HE3 LYS 74 HE3 LYS 74 8.792 11.153 -6.671 617 HZ1 LYS 74 HZ1 LYS 74 11.336 10.816 -8.165 618 HZ2 LYS 74 HZ2 LYS 74 10.869 9.935 -6.801 619 HZ3 LYS 74 HZ3 LYS 74 11.163 11.593 -6.672 620 H MET 75 H MET 75 4.286 7.242 -10.649 621 HA MET 75 HA MET 75 5.104 6.496 -13.253 622 HB2 MET 75 HB2 MET 75 2.797 5.446 -11.570 623 HB3 MET 75 HB3 MET 75 3.379 4.681 -13.044 624 HG2 MET 75 HG2 MET 75 5.567 4.301 -11.983 625 HG3 MET 75 HG3 MET 75 4.969 5.055 -10.495 626 HE1 MET 75 HE1 MET 75 6.181 1.976 -11.029 627 HE2 MET 75 HE2 MET 75 5.157 1.045 -9.934 628 HE3 MET 75 HE3 MET 75 5.864 2.574 -9.405 629 H LEU 76 H LEU 76 2.116 8.040 -12.100 630 HA LEU 76 HA LEU 76 0.438 7.934 -14.300 631 HB2 LEU 76 HB2 LEU 76 0.785 9.928 -12.071 632 HB3 LEU 76 HB3 LEU 76 -0.271 10.379 -13.390 633 HG LEU 76 HG LEU 76 -1.609 9.476 -11.576 634 HD11 LEU 76 HD11 LEU 76 -2.394 8.973 -13.835 635 HD12 LEU 76 HD12 LEU 76 -2.846 7.703 -12.701 636 HD13 LEU 76 HD13 LEU 76 -1.508 7.442 -13.825 637 HD21 LEU 76 HD21 LEU 76 0.032 6.923 -11.726 638 HD22 LEU 76 HD22 LEU 76 -1.379 7.202 -10.699 639 HD23 LEU 76 HD23 LEU 76 0.096 8.127 -10.435 640 H ASN 77 H ASN 77 3.180 10.110 -13.844 641 HA ASN 77 HA ASN 77 2.575 11.584 -16.318 642 HB2 ASN 77 HB2 ASN 77 4.808 12.854 -15.503 643 HB3 ASN 77 HB3 ASN 77 3.233 13.237 -14.850 644 HD21 ASN 77 HD21 ASN 77 6.271 11.673 -14.204 645 HD22 ASN 77 HD22 ASN 77 6.079 11.589 -12.497 646 H SER 78 H SER 78 3.786 11.554 -18.119 647 HA SER 78 HA SER 78 5.560 9.426 -18.782 648 HB2 SER 78 HB2 SER 78 5.059 12.070 -20.214 649 HB3 SER 78 HB3 SER 78 5.925 10.701 -20.916 650 HG SER 78 HG SER 78 3.585 9.807 -20.010 651 H GLU 79 H GLU 79 6.139 12.138 -16.916 652 HA GLU 79 HA GLU 79 8.782 12.905 -17.475 653 HB2 GLU 79 HB2 GLU 79 7.262 12.779 -14.825 654 HB3 GLU 79 HB3 GLU 79 8.727 13.693 -15.091 655 HG2 GLU 79 HG2 GLU 79 6.044 14.199 -16.395 656 HG3 GLU 79 HG3 GLU 79 6.775 15.150 -15.100 657 H ILE 80 H ILE 80 7.456 10.036 -15.976 658 HA ILE 80 HA ILE 80 10.094 9.119 -14.958 659 HB ILE 80 HB ILE 80 7.373 8.826 -13.598 660 HG12 ILE 80 HG12 ILE 80 8.400 11.172 -13.595 661 HG13 ILE 80 HG13 ILE 80 8.007 10.515 -12.029 662 HG21 ILE 80 HG21 ILE 80 8.623 7.920 -11.653 663 HG22 ILE 80 HG22 ILE 80 10.109 7.946 -12.603 664 HG23 ILE 80 HG23 ILE 80 8.775 6.895 -13.083 665 HD11 ILE 80 HD11 ILE 80 10.135 11.707 -12.013 666 HD12 ILE 80 HD12 ILE 80 10.765 10.635 -13.261 667 HD13 ILE 80 HD13 ILE 80 10.389 9.998 -11.658 668 H LYS 81 H LYS 81 10.476 6.904 -15.119 669 HA LYS 81 HA LYS 81 8.817 5.351 -17.002 670 HB2 LYS 81 HB2 LYS 81 11.164 5.703 -17.620 671 HB3 LYS 81 HB3 LYS 81 11.709 5.070 -16.072 672 HG2 LYS 81 HG2 LYS 81 10.776 2.834 -16.713 673 HG3 LYS 81 HG3 LYS 81 10.351 3.504 -18.292 674 HD2 LYS 81 HD2 LYS 81 12.721 3.937 -18.775 675 HD3 LYS 81 HD3 LYS 81 13.179 3.371 -17.164 676 HE2 LYS 81 HE2 LYS 81 13.609 1.628 -18.820 677 HE3 LYS 81 HE3 LYS 81 12.318 1.111 -17.736 678 HZ1 LYS 81 HZ1 LYS 81 10.710 1.709 -19.428 679 HZ2 LYS 81 HZ2 LYS 81 11.827 0.606 -20.045 680 HZ3 LYS 81 HZ3 LYS 81 11.938 2.240 -20.459 681 H ILE 82 H ILE 82 7.953 3.351 -16.485 682 HA ILE 82 HA ILE 82 8.137 2.384 -13.703 683 HB ILE 82 HB ILE 82 6.270 1.331 -15.876 684 HG12 ILE 82 HG12 ILE 82 4.453 2.562 -14.406 685 HG13 ILE 82 HG13 ILE 82 5.797 3.544 -13.848 686 HG21 ILE 82 HG21 ILE 82 5.027 0.294 -13.987 687 HG22 ILE 82 HG22 ILE 82 6.251 0.894 -12.865 688 HG23 ILE 82 HG23 ILE 82 6.689 -0.292 -14.095 689 HD11 ILE 82 HD11 ILE 82 6.208 4.253 -16.157 690 HD12 ILE 82 HD12 ILE 82 4.572 4.626 -15.613 691 HD13 ILE 82 HD13 ILE 82 4.849 3.256 -16.687 692 H THR 83 H THR 83 10.067 1.352 -13.614 693 HA THR 83 HA THR 83 10.925 -0.589 -15.570 694 HB THR 83 HB THR 83 12.055 0.157 -12.829 695 HG1 THR 83 HG1 THR 83 13.691 1.126 -14.331 696 HG21 THR 83 HG21 THR 83 13.362 -1.555 -14.983 697 HG22 THR 83 HG22 THR 83 12.833 -2.119 -13.396 698 HG23 THR 83 HG23 THR 83 14.161 -0.963 -13.523 699 H SER 84 H SER 84 11.207 -2.897 -15.150 700 HA SER 84 HA SER 84 9.025 -4.273 -14.097 701 HB2 SER 84 HB2 SER 84 10.406 -6.333 -14.348 702 HB3 SER 84 HB3 SER 84 10.581 -5.267 -15.742 703 HG SER 84 HG SER 84 12.488 -6.222 -14.172 704 H ASP 85 H ASP 85 12.281 -3.987 -12.615 705 HA ASP 85 HA ASP 85 11.545 -5.179 -10.111 706 HB2 ASP 85 HB2 ASP 85 13.996 -3.534 -10.849 707 HB3 ASP 85 HB3 ASP 85 13.807 -4.456 -9.357 708 H LEU 86 H LEU 86 11.231 -1.932 -11.307 709 HA LEU 86 HA LEU 86 11.063 -0.567 -8.803 710 HB2 LEU 86 HB2 LEU 86 11.307 0.628 -10.968 711 HB3 LEU 86 HB3 LEU 86 9.696 0.101 -11.434 712 HG LEU 86 HG LEU 86 8.848 1.326 -9.332 713 HD11 LEU 86 HD11 LEU 86 10.226 3.174 -8.478 714 HD12 LEU 86 HD12 LEU 86 11.591 2.619 -9.450 715 HD13 LEU 86 HD13 LEU 86 10.954 1.601 -8.153 716 HD21 LEU 86 HD21 LEU 86 10.008 2.979 -11.613 717 HD22 LEU 86 HD22 LEU 86 8.756 3.513 -10.487 718 HD23 LEU 86 HD23 LEU 86 8.432 2.178 -11.592 719 H ILE 87 H ILE 87 8.703 -2.366 -10.756 720 HA ILE 87 HA ILE 87 6.377 -1.936 -9.183 721 HB ILE 87 HB ILE 87 7.126 -4.436 -10.754 722 HG12 ILE 87 HG12 ILE 87 5.587 -1.998 -11.757 723 HG13 ILE 87 HG13 ILE 87 7.274 -2.335 -12.136 724 HG21 ILE 87 HG21 ILE 87 4.369 -3.423 -9.976 725 HG22 ILE 87 HG22 ILE 87 5.195 -4.815 -9.271 726 HG23 ILE 87 HG23 ILE 87 4.703 -4.848 -10.964 727 HD11 ILE 87 HD11 ILE 87 5.834 -2.939 -13.979 728 HD12 ILE 87 HD12 ILE 87 4.896 -4.016 -12.948 729 HD13 ILE 87 HD13 ILE 87 6.586 -4.386 -13.309 730 H ASP 88 H ASP 88 9.074 -4.239 -8.917 731 HA ASP 88 HA ASP 88 8.168 -5.727 -6.647 732 HB2 ASP 88 HB2 ASP 88 10.997 -5.230 -7.682 733 HB3 ASP 88 HB3 ASP 88 10.606 -6.359 -6.387 734 H LYS 89 H LYS 89 9.790 -2.631 -7.038 735 HA LYS 89 HA LYS 89 10.733 -2.297 -4.355 736 HB2 LYS 89 HB2 LYS 89 11.475 -1.031 -6.496 737 HB3 LYS 89 HB3 LYS 89 10.038 -0.046 -6.286 738 HG2 LYS 89 HG2 LYS 89 10.851 0.822 -4.176 739 HG3 LYS 89 HG3 LYS 89 12.203 -0.317 -4.179 740 HD2 LYS 89 HD2 LYS 89 13.043 0.797 -6.291 741 HD3 LYS 89 HD3 LYS 89 11.769 2.006 -6.100 742 HE2 LYS 89 HE2 LYS 89 12.743 2.751 -3.991 743 HE3 LYS 89 HE3 LYS 89 13.940 1.454 -4.044 744 HZ1 LYS 89 HZ1 LYS 89 14.895 3.525 -4.757 745 HZ2 LYS 89 HZ2 LYS 89 13.723 3.709 -5.961 746 HZ3 LYS 89 HZ3 LYS 89 14.846 2.451 -6.060 747 H VAL 90 H VAL 90 7.701 -1.591 -6.008 748 HA VAL 90 HA VAL 90 6.331 -0.284 -3.833 749 HB VAL 90 HB VAL 90 5.099 -1.879 -6.137 750 HG11 VAL 90 HG11 VAL 90 3.478 -1.361 -4.376 751 HG12 VAL 90 HG12 VAL 90 3.117 -0.422 -5.824 752 HG13 VAL 90 HG13 VAL 90 3.905 0.351 -4.447 753 HG21 VAL 90 HG21 VAL 90 6.616 -0.245 -7.113 754 HG22 VAL 90 HG22 VAL 90 5.907 1.052 -6.143 755 HG23 VAL 90 HG23 VAL 90 4.948 0.259 -7.397 756 H LYS 91 H LYS 91 6.432 -3.571 -5.120 757 HA LYS 91 HA LYS 91 4.352 -4.757 -3.675 758 HB2 LYS 91 HB2 LYS 91 5.603 -5.511 -5.844 759 HB3 LYS 91 HB3 LYS 91 6.755 -6.282 -4.770 760 HG2 LYS 91 HG2 LYS 91 3.781 -6.915 -4.883 761 HG3 LYS 91 HG3 LYS 91 5.031 -7.823 -5.733 762 HD2 LYS 91 HD2 LYS 91 6.063 -8.342 -3.483 763 HD3 LYS 91 HD3 LYS 91 4.671 -7.566 -2.725 764 HE2 LYS 91 HE2 LYS 91 3.201 -9.247 -3.904 765 HE3 LYS 91 HE3 LYS 91 4.672 -10.075 -4.434 766 HZ1 LYS 91 HZ1 LYS 91 3.813 -9.595 -1.634 767 HZ2 LYS 91 HZ2 LYS 91 5.290 -10.282 -2.075 768 HZ3 LYS 91 HZ3 LYS 91 3.845 -11.082 -2.443 769 H LYS 92 H LYS 92 7.870 -4.868 -3.065 770 HA LYS 92 HA LYS 92 7.723 -6.613 -0.826 771 HB2 LYS 92 HB2 LYS 92 9.717 -6.424 -2.290 772 HB3 LYS 92 HB3 LYS 92 9.995 -4.801 -1.683 773 HG2 LYS 92 HG2 LYS 92 11.498 -6.381 -0.591 774 HG3 LYS 92 HG3 LYS 92 10.358 -5.683 0.570 775 HD2 LYS 92 HD2 LYS 92 8.990 -7.728 0.510 776 HD3 LYS 92 HD3 LYS 92 10.037 -8.420 -0.734 777 HE2 LYS 92 HE2 LYS 92 10.902 -7.729 2.097 778 HE3 LYS 92 HE3 LYS 92 10.508 -9.347 1.513 779 HZ1 LYS 92 HZ1 LYS 92 12.339 -9.177 -0.064 780 HZ2 LYS 92 HZ2 LYS 92 12.887 -8.974 1.522 781 HZ3 LYS 92 HZ3 LYS 92 12.716 -7.633 0.510 782 H LYS 93 H LYS 93 7.824 -3.092 -1.098 783 HA LYS 93 HA LYS 93 7.976 -2.431 1.663 784 HB2 LYS 93 HB2 LYS 93 6.730 -0.941 -0.672 785 HB3 LYS 93 HB3 LYS 93 6.908 -0.243 0.931 786 HG2 LYS 93 HG2 LYS 93 9.166 -1.174 -0.857 787 HG3 LYS 93 HG3 LYS 93 8.666 0.502 -0.606 788 HD2 LYS 93 HD2 LYS 93 9.326 0.381 1.752 789 HD3 LYS 93 HD3 LYS 93 9.712 -1.337 1.588 790 HE2 LYS 93 HE2 LYS 93 11.123 0.950 0.168 791 HE3 LYS 93 HE3 LYS 93 11.750 0.019 1.533 792 HZ1 LYS 93 HZ1 LYS 93 11.542 -1.984 0.088 793 HZ2 LYS 93 HZ2 LYS 93 12.697 -0.866 -0.427 794 HZ3 LYS 93 HZ3 LYS 93 11.206 -0.960 -1.213 795 H LEU 94 H LEU 94 5.283 -3.341 -0.400 796 HA LEU 94 HA LEU 94 3.193 -2.767 1.495 797 HB2 LEU 94 HB2 LEU 94 3.107 -2.915 -1.107 798 HB3 LEU 94 HB3 LEU 94 2.987 -4.646 -0.886 799 HG LEU 94 HG LEU 94 0.812 -3.463 -1.321 800 HD11 LEU 94 HD11 LEU 94 0.887 -4.918 1.317 801 HD12 LEU 94 HD12 LEU 94 0.799 -5.656 -0.282 802 HD13 LEU 94 HD13 LEU 94 -0.531 -4.657 0.295 803 HD21 LEU 94 HD21 LEU 94 1.163 -2.297 1.453 804 HD22 LEU 94 HD22 LEU 94 -0.263 -2.148 0.422 805 HD23 LEU 94 HD23 LEU 94 1.255 -1.402 -0.066 806 H ASP 95 H ASP 95 5.074 -5.646 0.585 807 HA ASP 95 HA ASP 95 4.025 -7.526 2.420 808 HB2 ASP 95 HB2 ASP 95 6.780 -7.164 1.198 809 HB3 ASP 95 HB3 ASP 95 6.417 -8.510 2.263 810 H MET 96 H MET 96 6.405 -4.961 2.752 811 HA MET 96 HA MET 96 7.342 -5.521 5.367 812 HB2 MET 96 HB2 MET 96 8.733 -4.145 4.076 813 HB3 MET 96 HB3 MET 96 7.415 -3.132 3.547 814 HG2 MET 96 HG2 MET 96 7.330 -2.038 5.724 815 HG3 MET 96 HG3 MET 96 8.573 -3.119 6.339 816 HE1 MET 96 HE1 MET 96 11.728 -1.961 4.265 817 HE2 MET 96 HE2 MET 96 10.636 -3.294 3.886 818 HE3 MET 96 HE3 MET 96 11.153 -3.020 5.553 819 H VAL 97 H VAL 97 4.450 -3.843 4.247 820 HA VAL 97 HA VAL 97 3.626 -2.688 6.725 821 HB VAL 97 HB VAL 97 1.825 -3.712 4.479 822 HG11 VAL 97 HG11 VAL 97 0.193 -2.019 5.285 823 HG12 VAL 97 HG12 VAL 97 1.276 -1.607 6.616 824 HG13 VAL 97 HG13 VAL 97 0.556 -3.216 6.531 825 HG21 VAL 97 HG21 VAL 97 3.525 -2.187 3.566 826 HG22 VAL 97 HG22 VAL 97 3.116 -0.969 4.778 827 HG23 VAL 97 HG23 VAL 97 1.935 -1.413 3.542 828 H THR 98 H THR 98 2.923 -5.854 5.217 829 HA THR 98 HA THR 98 1.483 -7.085 7.331 830 HB THR 98 HB THR 98 3.279 -8.358 5.208 831 HG1 THR 98 HG1 THR 98 1.686 -7.574 4.027 832 HG21 THR 98 HG21 THR 98 2.001 -10.445 5.563 833 HG22 THR 98 HG22 THR 98 1.119 -9.687 6.890 834 HG23 THR 98 HG23 THR 98 2.854 -9.973 7.036 835 H ARG 99 H ARG 99 4.924 -6.834 6.637 836 HA ARG 99 HA ARG 99 5.995 -8.584 8.623 837 HB2 ARG 99 HB2 ARG 99 7.087 -7.885 6.476 838 HB3 ARG 99 HB3 ARG 99 7.268 -6.259 7.117 839 HG2 ARG 99 HG2 ARG 99 8.831 -7.110 8.829 840 HG3 ARG 99 HG3 ARG 99 8.631 -8.750 8.191 841 HD2 ARG 99 HD2 ARG 99 9.486 -7.932 5.970 842 HD3 ARG 99 HD3 ARG 99 9.785 -6.354 6.708 843 HE ARG 99 HE ARG 99 11.133 -8.291 8.219 844 HH11 ARG 99 HH11 ARG 99 11.324 -6.900 5.057 845 HH12 ARG 99 HH12 ARG 99 13.018 -7.193 4.916 846 HH21 ARG 99 HH21 ARG 99 13.302 -8.638 8.020 847 HH22 ARG 99 HH22 ARG 99 14.122 -8.171 6.569 848 H GLU 100 H GLU 100 5.085 -5.216 8.602 849 HA GLU 100 HA GLU 100 6.292 -4.380 11.067 850 HB2 GLU 100 HB2 GLU 100 5.568 -2.880 9.145 851 HB3 GLU 100 HB3 GLU 100 3.897 -3.188 9.584 852 HG2 GLU 100 HG2 GLU 100 5.903 -1.899 11.453 853 HG3 GLU 100 HG3 GLU 100 4.912 -0.976 10.333 854 H LEU 101 H LEU 101 2.915 -5.139 10.124 855 HA LEU 101 HA LEU 101 1.754 -5.107 12.691 856 HB2 LEU 101 HB2 LEU 101 0.483 -4.980 10.543 857 HB3 LEU 101 HB3 LEU 101 0.841 -6.675 10.251 858 HG LEU 101 HG LEU 101 -0.485 -7.310 12.267 859 HD11 LEU 101 HD11 LEU 101 -1.912 -5.675 13.413 860 HD12 LEU 101 HD12 LEU 101 -1.175 -4.363 12.489 861 HD13 LEU 101 HD13 LEU 101 -0.202 -5.300 13.625 862 HD21 LEU 101 HD21 LEU 101 -2.047 -5.588 10.324 863 HD22 LEU 101 HD22 LEU 101 -2.704 -6.860 11.359 864 HD23 LEU 101 HD23 LEU 101 -1.575 -7.270 10.072 865 H ASP 102 H ASP 102 3.491 -7.640 10.999 866 HA ASP 102 HA ASP 102 2.985 -9.937 12.472 867 HB2 ASP 102 HB2 ASP 102 4.375 -9.874 10.446 868 HB3 ASP 102 HB3 ASP 102 5.604 -8.930 11.281 869 H LYS 103 H LYS 103 5.208 -7.264 13.253 870 HA LYS 103 HA LYS 103 6.124 -8.330 15.783 871 HB2 LYS 103 HB2 LYS 103 6.244 -5.469 14.729 872 HB3 LYS 103 HB3 LYS 103 7.181 -6.117 16.078 873 HG2 LYS 103 HG2 LYS 103 8.409 -7.588 14.565 874 HG3 LYS 103 HG3 LYS 103 7.405 -7.071 13.201 875 HD2 LYS 103 HD2 LYS 103 8.276 -4.763 13.441 876 HD3 LYS 103 HD3 LYS 103 9.278 -5.278 14.804 877 HE2 LYS 103 HE2 LYS 103 10.534 -6.787 13.322 878 HE3 LYS 103 HE3 LYS 103 9.507 -6.330 11.960 879 HZ1 LYS 103 HZ1 LYS 103 11.321 -4.529 13.463 880 HZ2 LYS 103 HZ2 LYS 103 10.311 -4.058 12.193 881 HZ3 LYS 103 HZ3 LYS 103 11.576 -5.139 11.909 882 H LYS 104 H LYS 104 3.629 -6.061 14.735 883 HA LYS 104 HA LYS 104 2.989 -4.859 17.217 884 HB2 LYS 104 HB2 LYS 104 2.508 -3.915 14.994 885 HB3 LYS 104 HB3 LYS 104 1.271 -5.145 14.751 886 HG2 LYS 104 HG2 LYS 104 -0.073 -4.227 16.577 887 HG3 LYS 104 HG3 LYS 104 1.204 -3.064 16.970 888 HD2 LYS 104 HD2 LYS 104 -0.218 -3.193 14.306 889 HD3 LYS 104 HD3 LYS 104 -0.703 -2.103 15.605 890 HE2 LYS 104 HE2 LYS 104 1.386 -0.907 15.452 891 HE3 LYS 104 HE3 LYS 104 2.076 -2.116 14.375 892 HZ1 LYS 104 HZ1 LYS 104 -0.262 -0.455 13.657 893 HZ2 LYS 104 HZ2 LYS 104 0.669 -1.441 12.638 894 HZ3 LYS 104 HZ3 LYS 104 1.336 -0.038 13.294 895 H VAL 105 H VAL 105 1.594 -7.702 15.596 896 HA VAL 105 HA VAL 105 -0.558 -8.117 17.441 897 HB VAL 105 HB VAL 105 -0.837 -10.349 16.381 898 HG11 VAL 105 HG11 VAL 105 -0.418 -8.106 14.366 899 HG12 VAL 105 HG12 VAL 105 -1.879 -8.391 15.316 900 HG13 VAL 105 HG13 VAL 105 -1.378 -9.566 14.098 901 HG21 VAL 105 HG21 VAL 105 0.629 -11.052 14.496 902 HG22 VAL 105 HG22 VAL 105 1.531 -10.952 16.008 903 HG23 VAL 105 HG23 VAL 105 1.687 -9.671 14.803 904 H SER 106 H SER 106 2.813 -8.830 17.646 905 HA SER 106 HA SER 106 2.681 -10.899 19.652 906 HB2 SER 106 HB2 SER 106 4.718 -10.575 18.283 907 HB3 SER 106 HB3 SER 106 4.960 -8.976 18.983 908 HG SER 106 HG SER 106 5.354 -11.514 20.099 909 H GLY 107 H GLY 107 2.512 -7.402 19.653 910 HA2 GLY 107 HA2 GLY 107 1.935 -5.880 21.266 911 HA3 GLY 107 HA3 GLY 107 1.518 -7.225 22.315 912 H SER 108 H SER 108 4.494 -5.778 20.938 913 HA SER 108 HA SER 108 6.191 -6.543 23.105 914 HB2 SER 108 HB2 SER 108 6.697 -4.371 21.020 915 HB3 SER 108 HB3 SER 108 7.915 -5.184 22.004 916 HG SER 108 HG SER 108 7.690 -6.990 20.835 917 H TYR 109 H TYR 109 5.343 -5.800 25.034 918 HA TYR 109 HA TYR 109 4.909 -4.510 26.822 919 HB2 TYR 109 HB2 TYR 109 6.782 -2.551 25.428 920 HB3 TYR 109 HB3 TYR 109 6.201 -2.356 27.079 921 HD1 TYR 109 HD2 TYR 109 7.011 -3.845 28.894 922 HD2 TYR 109 HD1 TYR 109 8.485 -4.265 24.901 923 HE1 TYR 109 HE2 TYR 109 8.850 -5.249 29.719 924 HE2 TYR 109 HE1 TYR 109 10.328 -5.676 25.729 925 HH TYR 109 HH TYR 109 10.401 -6.961 28.883 926 H LEU 110 H LEU 110 2.701 -4.269 26.564 927 HA LEU 110 HA LEU 110 1.404 -2.393 24.906 928 HB2 LEU 110 HB2 LEU 110 -0.652 -2.828 26.152 929 HB3 LEU 110 HB3 LEU 110 0.171 -4.319 25.760 930 HG LEU 110 HG LEU 110 0.395 -3.085 28.531 931 HD11 LEU 110 HD11 LEU 110 -1.755 -5.027 27.637 932 HD12 LEU 110 HD12 LEU 110 -1.992 -3.339 28.099 933 HD13 LEU 110 HD13 LEU 110 -1.446 -4.506 29.299 934 HD21 LEU 110 HD21 LEU 110 0.901 -5.374 29.263 935 HD22 LEU 110 HD22 LEU 110 2.029 -4.852 28.014 936 HD23 LEU 110 HD23 LEU 110 0.719 -5.962 27.606 937 H VAL 111 H VAL 111 1.784 -0.290 24.998 938 HA VAL 111 HA VAL 111 2.590 1.136 27.351 939 HB VAL 111 HB VAL 111 2.575 3.160 25.909 940 HG11 VAL 111 HG11 VAL 111 4.305 2.424 24.299 941 HG12 VAL 111 HG12 VAL 111 3.855 0.738 24.576 942 HG13 VAL 111 HG13 VAL 111 4.552 1.693 25.889 943 HG21 VAL 111 HG21 VAL 111 1.417 1.345 23.744 944 HG22 VAL 111 HG22 VAL 111 1.984 3.001 23.496 945 HG23 VAL 111 HG23 VAL 111 0.584 2.693 24.524 946 HA PRO 112 HA PRO 112 -1.524 2.517 28.784 947 HB2 PRO 112 HB2 PRO 112 -0.749 4.620 30.382 948 HB3 PRO 112 HB3 PRO 112 -0.581 2.926 30.867 949 HG2 PRO 112 HG2 PRO 112 1.502 4.772 29.693 950 HG3 PRO 112 HG3 PRO 112 1.649 3.660 31.073 951 HD2 PRO 112 HD2 PRO 112 2.575 3.004 28.607 952 HD3 PRO 112 HD3 PRO 112 1.889 1.778 29.697 953 H ARG 113 H ARG 113 0.813 4.646 27.251 954 HA ARG 113 HA ARG 113 -1.340 6.348 26.125 955 HB2 ARG 113 HB2 ARG 113 0.448 8.216 26.125 956 HB3 ARG 113 HB3 ARG 113 -0.291 7.798 27.665 957 HG2 ARG 113 HG2 ARG 113 1.681 6.599 28.381 958 HG3 ARG 113 HG3 ARG 113 2.410 6.733 26.777 959 HD2 ARG 113 HD2 ARG 113 3.382 8.333 28.413 960 HD3 ARG 113 HD3 ARG 113 2.645 9.139 27.027 961 HE ARG 113 HE ARG 113 0.785 8.952 29.162 962 HH11 ARG 113 HH11 ARG 113 3.615 10.733 28.253 963 HH12 ARG 113 HH12 ARG 113 3.176 12.099 29.217 964 HH21 ARG 113 HH21 ARG 113 0.244 10.720 30.356 965 HH22 ARG 113 HH22 ARG 113 1.286 12.100 30.376 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -14.521 8.197 17.310 2 H2 MET 1 H2 MET 1 -13.119 8.207 16.361 3 H3 MET 1 H3 MET 1 -13.768 9.664 16.923 4 HA MET 1 HA MET 1 -11.814 9.022 18.167 5 HB2 MET 1 HB2 MET 1 -14.456 8.984 19.687 6 HB3 MET 1 HB3 MET 1 -12.892 9.135 20.480 7 HG2 MET 1 HG2 MET 1 -12.466 11.232 19.288 8 HG3 MET 1 HG3 MET 1 -14.014 11.087 18.452 9 HE1 MET 1 HE1 MET 1 -14.472 14.089 21.017 10 HE2 MET 1 HE2 MET 1 -14.411 13.649 19.310 11 HE3 MET 1 HE3 MET 1 -12.934 13.647 20.278 12 H GLY 2 H GLY 2 -10.659 7.533 19.407 13 HA2 GLY 2 HA2 GLY 2 -11.235 4.738 18.982 14 HA3 GLY 2 HA3 GLY 2 -9.848 5.414 19.817 15 H SER 3 H SER 3 -13.306 4.748 20.192 16 HA SER 3 HA SER 3 -13.402 5.057 23.047 17 HB2 SER 3 HB2 SER 3 -15.402 3.653 21.219 18 HB3 SER 3 HB3 SER 3 -15.719 4.299 22.833 19 HG SER 3 HG SER 3 -15.688 6.316 22.044 20 H HIS 4 H HIS 4 -13.295 2.279 20.827 21 HA HIS 4 HA HIS 4 -12.670 0.424 23.058 22 HB2 HIS 4 HB2 HIS 4 -14.660 0.007 20.788 23 HB3 HIS 4 HB3 HIS 4 -13.981 -1.346 21.680 24 HD1 HIS 4 HD1 HIS 4 -15.409 -2.116 23.552 25 HD2 HIS 4 HD2 HIS 4 -16.087 1.891 22.692 26 HE1 HIS 4 HE1 HIS 4 -17.262 -1.405 25.078 27 HE2 HIS 4 HE2 HIS 4 -17.521 1.053 24.667 28 H GLN 5 H GLN 5 -11.159 -1.164 22.620 29 HA GLN 5 HA GLN 5 -9.329 -1.000 20.473 30 HB2 GLN 5 HB2 GLN 5 -9.867 -3.320 22.375 31 HB3 GLN 5 HB3 GLN 5 -8.479 -3.212 21.294 32 HG2 GLN 5 HG2 GLN 5 -7.771 -1.125 22.476 33 HG3 GLN 5 HG3 GLN 5 -9.107 -1.346 23.606 34 HE21 GLN 5 HE21 GLN 5 -6.252 -1.273 24.193 35 HE22 GLN 5 HE22 GLN 5 -5.860 -2.782 24.932 36 H GLU 6 H GLU 6 -12.351 -2.664 20.773 37 HA GLU 6 HA GLU 6 -12.285 -4.628 18.832 38 HB2 GLU 6 HB2 GLU 6 -14.538 -2.793 19.711 39 HB3 GLU 6 HB3 GLU 6 -14.801 -4.097 18.563 40 HG2 GLU 6 HG2 GLU 6 -15.478 -4.787 20.787 41 HG3 GLU 6 HG3 GLU 6 -14.112 -5.751 20.243 42 H TYR 7 H TYR 7 -12.801 -1.118 18.311 43 HA TYR 7 HA TYR 7 -13.228 -1.169 15.511 44 HB2 TYR 7 HB2 TYR 7 -13.676 0.880 16.751 45 HB3 TYR 7 HB3 TYR 7 -12.001 0.990 17.281 46 HD1 TYR 7 HD1 TYR 7 -14.114 1.068 14.162 47 HD2 TYR 7 HD2 TYR 7 -10.444 2.295 15.991 48 HE1 TYR 7 HE1 TYR 7 -13.579 2.437 12.189 49 HE2 TYR 7 HE2 TYR 7 -9.920 3.666 14.015 50 HH TYR 7 HH TYR 7 -12.230 4.322 11.551 51 H ILE 8 H ILE 8 -10.238 -0.936 17.412 52 HA ILE 8 HA ILE 8 -8.355 -0.629 15.336 53 HB ILE 8 HB ILE 8 -8.016 -1.922 18.082 54 HG12 ILE 8 HG12 ILE 8 -7.441 0.949 17.191 55 HG13 ILE 8 HG13 ILE 8 -8.826 0.446 18.153 56 HG21 ILE 8 HG21 ILE 8 -5.835 -0.899 16.226 57 HG22 ILE 8 HG22 ILE 8 -6.155 -2.589 16.621 58 HG23 ILE 8 HG23 ILE 8 -5.596 -1.483 17.875 59 HD11 ILE 8 HD11 ILE 8 -7.300 -0.223 19.965 60 HD12 ILE 8 HD12 ILE 8 -7.143 1.480 19.538 61 HD13 ILE 8 HD13 ILE 8 -5.930 0.325 18.993 62 H LYS 9 H LYS 9 -9.769 -3.535 16.798 63 HA LYS 9 HA LYS 9 -8.237 -5.526 15.489 64 HB2 LYS 9 HB2 LYS 9 -11.103 -5.660 16.509 65 HB3 LYS 9 HB3 LYS 9 -10.103 -7.051 16.101 66 HG2 LYS 9 HG2 LYS 9 -8.598 -6.558 17.950 67 HG3 LYS 9 HG3 LYS 9 -9.473 -5.062 18.298 68 HD2 LYS 9 HD2 LYS 9 -11.542 -6.488 18.703 69 HD3 LYS 9 HD3 LYS 9 -10.499 -7.908 18.594 70 HE2 LYS 9 HE2 LYS 9 -9.209 -7.122 20.518 71 HE3 LYS 9 HE3 LYS 9 -10.181 -5.651 20.585 72 HZ1 LYS 9 HZ1 LYS 9 -11.333 -8.365 20.871 73 HZ2 LYS 9 HZ2 LYS 9 -12.080 -6.880 21.204 74 HZ3 LYS 9 HZ3 LYS 9 -10.819 -7.434 22.185 75 H LYS 10 H LYS 10 -11.333 -3.972 14.628 76 HA LYS 10 HA LYS 10 -11.874 -5.474 12.280 77 HB2 LYS 10 HB2 LYS 10 -12.984 -2.961 13.496 78 HB3 LYS 10 HB3 LYS 10 -13.303 -3.209 11.787 79 HG2 LYS 10 HG2 LYS 10 -15.154 -4.014 13.198 80 HG3 LYS 10 HG3 LYS 10 -14.444 -5.307 12.233 81 HD2 LYS 10 HD2 LYS 10 -13.250 -6.167 14.198 82 HD3 LYS 10 HD3 LYS 10 -13.831 -4.815 15.172 83 HE2 LYS 10 HE2 LYS 10 -15.586 -6.951 13.913 84 HE3 LYS 10 HE3 LYS 10 -15.113 -6.881 15.612 85 HZ1 LYS 10 HZ1 LYS 10 -17.299 -5.977 15.332 86 HZ2 LYS 10 HZ2 LYS 10 -16.758 -4.881 14.163 87 HZ3 LYS 10 HZ3 LYS 10 -16.242 -4.728 15.764 88 H VAL 11 H VAL 11 -10.447 -2.206 12.666 89 HA VAL 11 HA VAL 11 -10.062 -1.733 9.903 90 HB VAL 11 HB VAL 11 -10.177 0.069 11.671 91 HG11 VAL 11 HG11 VAL 11 -8.136 0.744 12.874 92 HG12 VAL 11 HG12 VAL 11 -7.286 -0.667 12.237 93 HG13 VAL 11 HG13 VAL 11 -8.651 -0.880 13.333 94 HG21 VAL 11 HG21 VAL 11 -9.468 0.619 9.379 95 HG22 VAL 11 HG22 VAL 11 -7.791 0.254 9.787 96 HG23 VAL 11 HG23 VAL 11 -8.606 1.621 10.550 97 H THR 12 H THR 12 -8.134 -3.522 12.215 98 HA THR 12 HA THR 12 -5.682 -3.794 10.846 99 HB THR 12 HB THR 12 -7.235 -5.788 12.552 100 HG1 THR 12 HG1 THR 12 -6.499 -4.479 14.008 101 HG21 THR 12 HG21 THR 12 -5.135 -7.095 12.803 102 HG22 THR 12 HG22 THR 12 -4.366 -6.090 11.575 103 HG23 THR 12 HG23 THR 12 -5.729 -7.123 11.141 104 H ASP 13 H ASP 13 -8.636 -5.821 10.609 105 HA ASP 13 HA ASP 13 -7.592 -7.372 8.405 106 HB2 ASP 13 HB2 ASP 13 -10.366 -7.327 9.676 107 HB3 ASP 13 HB3 ASP 13 -9.860 -8.468 8.431 108 H GLU 14 H GLU 14 -9.747 -4.569 8.652 109 HA GLU 14 HA GLU 14 -10.543 -4.458 5.924 110 HB2 GLU 14 HB2 GLU 14 -10.197 -2.228 7.971 111 HB3 GLU 14 HB3 GLU 14 -10.955 -2.012 6.394 112 HG2 GLU 14 HG2 GLU 14 -12.740 -3.583 7.005 113 HG3 GLU 14 HG3 GLU 14 -11.961 -3.900 8.552 114 H LEU 15 H LEU 15 -7.663 -3.293 7.639 115 HA LEU 15 HA LEU 15 -6.250 -2.196 5.440 116 HB2 LEU 15 HB2 LEU 15 -5.468 -1.765 7.678 117 HB3 LEU 15 HB3 LEU 15 -5.340 -3.472 8.035 118 HG LEU 15 HG LEU 15 -3.562 -3.029 5.832 119 HD11 LEU 15 HD11 LEU 15 -2.020 -1.314 6.618 120 HD12 LEU 15 HD12 LEU 15 -3.141 -0.880 7.911 121 HD13 LEU 15 HD13 LEU 15 -3.599 -0.637 6.224 122 HD21 LEU 15 HD21 LEU 15 -2.912 -3.426 8.770 123 HD22 LEU 15 HD22 LEU 15 -1.797 -3.671 7.423 124 HD23 LEU 15 HD23 LEU 15 -3.221 -4.701 7.583 125 H LYS 16 H LYS 16 -6.537 -5.550 6.658 126 HA LYS 16 HA LYS 16 -4.671 -6.724 4.853 127 HB2 LYS 16 HB2 LYS 16 -7.032 -8.089 6.205 128 HB3 LYS 16 HB3 LYS 16 -5.654 -8.892 5.469 129 HG2 LYS 16 HG2 LYS 16 -5.601 -7.154 7.946 130 HG3 LYS 16 HG3 LYS 16 -5.453 -8.906 7.886 131 HD2 LYS 16 HD2 LYS 16 -3.341 -8.611 6.556 132 HD3 LYS 16 HD3 LYS 16 -3.483 -6.874 6.809 133 HE2 LYS 16 HE2 LYS 16 -3.171 -7.120 9.190 134 HE3 LYS 16 HE3 LYS 16 -3.294 -8.880 9.082 135 HZ1 LYS 16 HZ1 LYS 16 -1.253 -8.902 7.783 136 HZ2 LYS 16 HZ2 LYS 16 -0.992 -8.191 9.292 137 HZ3 LYS 16 HZ3 LYS 16 -1.119 -7.222 7.913 138 H GLU 17 H GLU 17 -8.163 -6.102 4.593 139 HA GLU 17 HA GLU 17 -8.669 -7.307 2.073 140 HB2 GLU 17 HB2 GLU 17 -9.995 -4.908 3.388 141 HB3 GLU 17 HB3 GLU 17 -10.631 -5.737 1.970 142 HG2 GLU 17 HG2 GLU 17 -10.298 -6.949 4.732 143 HG3 GLU 17 HG3 GLU 17 -11.808 -6.379 4.028 144 H LEU 18 H LEU 18 -7.403 -4.257 3.022 145 HA LEU 18 HA LEU 18 -7.466 -2.917 0.526 146 HB2 LEU 18 HB2 LEU 18 -7.225 -2.147 3.076 147 HB3 LEU 18 HB3 LEU 18 -5.508 -2.291 2.746 148 HG LEU 18 HG LEU 18 -5.606 -0.534 1.084 149 HD11 LEU 18 HD11 LEU 18 -8.621 -0.606 1.450 150 HD12 LEU 18 HD12 LEU 18 -7.721 -1.134 0.025 151 HD13 LEU 18 HD13 LEU 18 -7.725 0.571 0.477 152 HD21 LEU 18 HD21 LEU 18 -6.337 1.348 2.461 153 HD22 LEU 18 HD22 LEU 18 -5.510 0.163 3.466 154 HD23 LEU 18 HD23 LEU 18 -7.273 0.269 3.500 155 H ILE 19 H ILE 19 -4.905 -4.544 2.345 156 HA ILE 19 HA ILE 19 -2.815 -4.479 0.447 157 HB ILE 19 HB ILE 19 -3.385 -6.350 2.793 158 HG12 ILE 19 HG12 ILE 19 -1.441 -3.999 2.574 159 HG13 ILE 19 HG13 ILE 19 -3.019 -3.928 3.346 160 HG21 ILE 19 HG21 ILE 19 -1.018 -7.059 2.737 161 HG22 ILE 19 HG22 ILE 19 -0.777 -6.155 1.240 162 HG23 ILE 19 HG23 ILE 19 -1.870 -7.541 1.271 163 HD11 ILE 19 HD11 ILE 19 -1.254 -4.101 4.984 164 HD12 ILE 19 HD12 ILE 19 -0.674 -5.596 4.253 165 HD13 ILE 19 HD13 ILE 19 -2.263 -5.548 5.026 166 H GLN 20 H GLN 20 -5.522 -6.710 0.939 167 HA GLN 20 HA GLN 20 -4.759 -8.864 -0.697 168 HB2 GLN 20 HB2 GLN 20 -6.651 -9.066 0.821 169 HB3 GLN 20 HB3 GLN 20 -7.518 -7.776 -0.003 170 HG2 GLN 20 HG2 GLN 20 -8.462 -9.977 -0.529 171 HG3 GLN 20 HG3 GLN 20 -7.831 -9.180 -1.968 172 HE21 GLN 20 HE21 GLN 20 -7.667 -11.134 -3.075 173 HE22 GLN 20 HE22 GLN 20 -6.452 -12.307 -2.721 174 H ASN 21 H ASN 21 -6.757 -6.002 -1.526 175 HA ASN 21 HA ASN 21 -6.963 -6.570 -4.286 176 HB2 ASN 21 HB2 ASN 21 -7.265 -3.965 -2.750 177 HB3 ASN 21 HB3 ASN 21 -7.512 -4.063 -4.495 178 HD21 ASN 21 HD21 ASN 21 -9.248 -5.345 -5.292 179 HD22 ASN 21 HD22 ASN 21 -10.610 -5.709 -4.292 180 H VAL 22 H VAL 22 -4.735 -4.313 -2.566 181 HA VAL 22 HA VAL 22 -3.390 -3.362 -4.825 182 HB VAL 22 HB VAL 22 -2.339 -3.579 -1.973 183 HG11 VAL 22 HG11 VAL 22 -0.438 -3.298 -3.531 184 HG12 VAL 22 HG12 VAL 22 -0.688 -1.841 -2.573 185 HG13 VAL 22 HG13 VAL 22 -1.223 -1.892 -4.257 186 HG21 VAL 22 HG21 VAL 22 -4.367 -2.206 -2.193 187 HG22 VAL 22 HG22 VAL 22 -3.601 -1.246 -3.460 188 HG23 VAL 22 HG23 VAL 22 -2.970 -1.197 -1.812 189 H ASN 23 H ASN 23 -2.609 -6.276 -2.861 190 HA ASN 23 HA ASN 23 -0.199 -7.008 -4.149 191 HB2 ASN 23 HB2 ASN 23 -2.204 -8.497 -2.477 192 HB3 ASN 23 HB3 ASN 23 -1.211 -9.503 -3.520 193 HD21 ASN 23 HD21 ASN 23 -1.257 -7.551 -0.698 194 HD22 ASN 23 HD22 ASN 23 0.364 -7.859 -0.204 195 H ASP 24 H ASP 24 -3.563 -7.989 -4.896 196 HA ASP 24 HA ASP 24 -2.839 -9.708 -7.054 197 HB2 ASP 24 HB2 ASP 24 -4.959 -9.878 -5.657 198 HB3 ASP 24 HB3 ASP 24 -5.580 -8.487 -6.544 199 H ASP 25 H ASP 25 -3.828 -6.338 -6.865 200 HA ASP 25 HA ASP 25 -3.970 -5.722 -9.612 201 HB2 ASP 25 HB2 ASP 25 -3.571 -4.089 -7.090 202 HB3 ASP 25 HB3 ASP 25 -3.338 -3.302 -8.645 203 H ILE 26 H ILE 26 -1.213 -5.501 -7.305 204 HA ILE 26 HA ILE 26 0.727 -4.606 -9.172 205 HB ILE 26 HB ILE 26 1.140 -6.105 -6.551 206 HG12 ILE 26 HG12 ILE 26 1.533 -3.148 -7.216 207 HG13 ILE 26 HG13 ILE 26 0.150 -3.804 -6.356 208 HG21 ILE 26 HG21 ILE 26 3.114 -6.504 -7.960 209 HG22 ILE 26 HG22 ILE 26 3.535 -5.389 -6.663 210 HG23 ILE 26 HG23 ILE 26 3.257 -4.777 -8.295 211 HD11 ILE 26 HD11 ILE 26 3.009 -3.847 -5.388 212 HD12 ILE 26 HD12 ILE 26 1.609 -4.486 -4.519 213 HD13 ILE 26 HD13 ILE 26 1.731 -2.759 -4.849 214 H LYS 27 H LYS 27 -0.286 -7.907 -8.265 215 HA LYS 27 HA LYS 27 1.591 -9.441 -9.689 216 HB2 LYS 27 HB2 LYS 27 -1.356 -9.938 -9.127 217 HB3 LYS 27 HB3 LYS 27 -0.327 -11.147 -9.887 218 HG2 LYS 27 HG2 LYS 27 1.007 -11.396 -7.904 219 HG3 LYS 27 HG3 LYS 27 0.278 -9.972 -7.155 220 HD2 LYS 27 HD2 LYS 27 -0.605 -12.120 -6.218 221 HD3 LYS 27 HD3 LYS 27 -1.860 -11.102 -6.919 222 HE2 LYS 27 HE2 LYS 27 -1.742 -12.514 -9.007 223 HE3 LYS 27 HE3 LYS 27 -0.629 -13.586 -8.157 224 HZ1 LYS 27 HZ1 LYS 27 -2.357 -14.004 -6.520 225 HZ2 LYS 27 HZ2 LYS 27 -2.897 -14.399 -8.076 226 HZ3 LYS 27 HZ3 LYS 27 -3.418 -12.967 -7.339 227 H GLU 28 H GLU 28 -1.482 -8.024 -10.766 228 HA GLU 28 HA GLU 28 -1.269 -8.826 -13.500 229 HB2 GLU 28 HB2 GLU 28 -2.963 -6.685 -12.169 230 HB3 GLU 28 HB3 GLU 28 -3.139 -7.183 -13.849 231 HG2 GLU 28 HG2 GLU 28 -3.525 -9.000 -11.444 232 HG3 GLU 28 HG3 GLU 28 -4.822 -8.203 -12.337 233 H VAL 29 H VAL 29 -0.077 -6.027 -11.701 234 HA VAL 29 HA VAL 29 0.700 -4.471 -13.992 235 HB VAL 29 HB VAL 29 1.716 -4.298 -11.114 236 HG11 VAL 29 HG11 VAL 29 2.567 -2.072 -11.722 237 HG12 VAL 29 HG12 VAL 29 2.081 -2.327 -13.394 238 HG13 VAL 29 HG13 VAL 29 3.346 -3.328 -12.675 239 HG21 VAL 29 HG21 VAL 29 -0.355 -2.600 -12.564 240 HG22 VAL 29 HG22 VAL 29 0.259 -2.294 -10.934 241 HG23 VAL 29 HG23 VAL 29 -0.672 -3.753 -11.268 242 H GLU 30 H GLU 30 2.326 -6.953 -12.053 243 HA GLU 30 HA GLU 30 4.942 -6.763 -13.120 244 HB2 GLU 30 HB2 GLU 30 3.421 -9.148 -11.988 245 HB3 GLU 30 HB3 GLU 30 5.140 -9.185 -12.370 246 HG2 GLU 30 HG2 GLU 30 5.642 -7.551 -10.663 247 HG3 GLU 30 HG3 GLU 30 3.932 -7.220 -10.400 248 H LYS 31 H LYS 31 1.989 -8.057 -14.394 249 HA LYS 31 HA LYS 31 3.198 -9.204 -16.806 250 HB2 LYS 31 HB2 LYS 31 0.251 -8.719 -16.161 251 HB3 LYS 31 HB3 LYS 31 0.908 -9.816 -17.382 252 HG2 LYS 31 HG2 LYS 31 1.871 -11.217 -15.628 253 HG3 LYS 31 HG3 LYS 31 1.292 -10.092 -14.399 254 HD2 LYS 31 HD2 LYS 31 -1.046 -10.599 -15.037 255 HD3 LYS 31 HD3 LYS 31 -0.468 -11.731 -16.264 256 HE2 LYS 31 HE2 LYS 31 0.528 -13.142 -14.503 257 HE3 LYS 31 HE3 LYS 31 -0.001 -11.996 -13.268 258 HZ1 LYS 31 HZ1 LYS 31 -2.298 -12.447 -13.934 259 HZ2 LYS 31 HZ2 LYS 31 -1.514 -13.840 -13.392 260 HZ3 LYS 31 HZ3 LYS 31 -1.756 -13.598 -15.048 261 H ASN 32 H ASN 32 1.251 -6.423 -15.797 262 HA ASN 32 HA ASN 32 1.513 -5.148 -18.433 263 HB2 ASN 32 HB2 ASN 32 -0.946 -5.060 -16.636 264 HB3 ASN 32 HB3 ASN 32 -0.779 -4.249 -18.189 265 HD21 ASN 32 HD21 ASN 32 -1.325 -7.273 -16.599 266 HD22 ASN 32 HD22 ASN 32 -1.768 -8.162 -18.010 267 HA PRO 33 HA PRO 33 3.327 -2.573 -15.002 268 HB2 PRO 33 HB2 PRO 33 5.368 -1.382 -16.393 269 HB3 PRO 33 HB3 PRO 33 5.453 -3.041 -15.784 270 HG2 PRO 33 HG2 PRO 33 4.782 -2.073 -18.560 271 HG3 PRO 33 HG3 PRO 33 5.856 -3.401 -18.066 272 HD2 PRO 33 HD2 PRO 33 3.301 -3.826 -18.927 273 HD3 PRO 33 HD3 PRO 33 4.084 -4.876 -17.727 274 H GLU 34 H GLU 34 2.599 -1.243 -18.223 275 HA GLU 34 HA GLU 34 2.793 1.520 -17.418 276 HB2 GLU 34 HB2 GLU 34 3.338 0.426 -19.712 277 HB3 GLU 34 HB3 GLU 34 1.614 0.466 -20.022 278 HG2 GLU 34 HG2 GLU 34 3.172 2.978 -19.355 279 HG3 GLU 34 HG3 GLU 34 3.110 2.345 -20.994 280 H ASP 35 H ASP 35 0.308 -0.807 -17.218 281 HA ASP 35 HA ASP 35 -2.007 0.713 -17.793 282 HB2 ASP 35 HB2 ASP 35 -1.614 -1.842 -16.181 283 HB3 ASP 35 HB3 ASP 35 -3.202 -1.166 -16.559 284 H MET 36 H MET 36 -2.147 2.637 -16.769 285 HA MET 36 HA MET 36 -1.737 3.011 -13.932 286 HB2 MET 36 HB2 MET 36 -2.463 4.824 -16.239 287 HB3 MET 36 HB3 MET 36 -2.596 5.389 -14.583 288 HG2 MET 36 HG2 MET 36 -0.082 4.275 -15.847 289 HG3 MET 36 HG3 MET 36 -0.428 5.993 -15.577 290 HE1 MET 36 HE1 MET 36 2.263 4.354 -12.875 291 HE2 MET 36 HE2 MET 36 2.224 5.194 -14.426 292 HE3 MET 36 HE3 MET 36 1.796 3.484 -14.335 293 H GLU 37 H GLU 37 -4.375 1.942 -15.673 294 HA GLU 37 HA GLU 37 -6.494 2.743 -13.932 295 HB2 GLU 37 HB2 GLU 37 -6.140 0.378 -15.816 296 HB3 GLU 37 HB3 GLU 37 -7.594 0.574 -14.850 297 HG2 GLU 37 HG2 GLU 37 -7.820 1.366 -17.199 298 HG3 GLU 37 HG3 GLU 37 -8.199 2.589 -15.990 299 H TYR 38 H TYR 38 -4.206 0.035 -13.905 300 HA TYR 38 HA TYR 38 -5.105 -1.144 -11.445 301 HB2 TYR 38 HB2 TYR 38 -2.677 -1.483 -13.215 302 HB3 TYR 38 HB3 TYR 38 -2.637 -2.172 -11.595 303 HD1 TYR 38 HD1 TYR 38 -4.311 -3.885 -10.927 304 HD2 TYR 38 HD2 TYR 38 -4.060 -2.536 -14.968 305 HE1 TYR 38 HE1 TYR 38 -5.644 -5.806 -11.640 306 HE2 TYR 38 HE2 TYR 38 -5.393 -4.479 -15.684 307 HH TYR 38 HH TYR 38 -6.980 -6.560 -13.393 308 H TRP 39 H TRP 39 -2.384 1.038 -12.257 309 HA TRP 39 HA TRP 39 -1.467 1.399 -9.600 310 HB2 TRP 39 HB2 TRP 39 -1.055 3.025 -12.123 311 HB3 TRP 39 HB3 TRP 39 -0.349 3.511 -10.584 312 HD1 TRP 39 HD1 TRP 39 0.477 1.461 -13.551 313 HE1 TRP 39 HE1 TRP 39 2.542 0.007 -13.084 314 HE3 TRP 39 HE3 TRP 39 0.684 1.906 -8.450 315 HZ2 TRP 39 HZ2 TRP 39 4.042 -0.871 -10.850 316 HZ3 TRP 39 HZ3 TRP 39 2.452 0.712 -7.227 317 HH2 TRP 39 HH2 TRP 39 4.101 -0.651 -8.405 318 H ASN 40 H ASN 40 -4.043 3.067 -11.383 319 HA ASN 40 HA ASN 40 -4.663 5.186 -9.718 320 HB2 ASN 40 HB2 ASN 40 -5.751 4.633 -11.870 321 HB3 ASN 40 HB3 ASN 40 -6.488 3.208 -11.158 322 HD21 ASN 40 HD21 ASN 40 -7.591 5.560 -12.485 323 HD22 ASN 40 HD22 ASN 40 -8.750 6.161 -11.387 324 H LYS 41 H LYS 41 -5.788 1.808 -9.492 325 HA LYS 41 HA LYS 41 -7.210 1.951 -7.074 326 HB2 LYS 41 HB2 LYS 41 -5.651 -0.465 -8.099 327 HB3 LYS 41 HB3 LYS 41 -7.010 -0.501 -6.987 328 HG2 LYS 41 HG2 LYS 41 -7.077 0.260 -9.921 329 HG3 LYS 41 HG3 LYS 41 -7.697 -1.228 -9.201 330 HD2 LYS 41 HD2 LYS 41 -9.396 0.112 -7.953 331 HD3 LYS 41 HD3 LYS 41 -8.784 1.580 -8.724 332 HE2 LYS 41 HE2 LYS 41 -9.374 0.633 -10.949 333 HE3 LYS 41 HE3 LYS 41 -10.040 -0.793 -10.148 334 HZ1 LYS 41 HZ1 LYS 41 -11.012 1.998 -9.898 335 HZ2 LYS 41 HZ2 LYS 41 -11.601 0.695 -9.001 336 HZ3 LYS 41 HZ3 LYS 41 -11.796 0.714 -10.679 337 H ILE 42 H ILE 42 -3.884 0.824 -7.653 338 HA ILE 42 HA ILE 42 -3.120 0.171 -5.062 339 HB ILE 42 HB ILE 42 -1.418 1.121 -7.408 340 HG12 ILE 42 HG12 ILE 42 -1.949 -1.736 -6.453 341 HG13 ILE 42 HG13 ILE 42 -2.903 -0.952 -7.709 342 HG21 ILE 42 HG21 ILE 42 -0.081 1.352 -5.362 343 HG22 ILE 42 HG22 ILE 42 0.512 -0.011 -6.310 344 HG23 ILE 42 HG23 ILE 42 -0.481 -0.300 -4.881 345 HD11 ILE 42 HD11 ILE 42 -1.226 -2.453 -8.625 346 HD12 ILE 42 HD12 ILE 42 0.061 -1.532 -7.849 347 HD13 ILE 42 HD13 ILE 42 -0.918 -0.788 -9.118 348 H TYR 43 H TYR 43 -2.831 3.315 -6.717 349 HA TYR 43 HA TYR 43 -1.362 4.695 -4.718 350 HB2 TYR 43 HB2 TYR 43 -1.685 5.383 -7.155 351 HB3 TYR 43 HB3 TYR 43 -3.299 5.928 -6.728 352 HD1 TYR 43 HD1 TYR 43 -1.330 6.777 -3.928 353 HD2 TYR 43 HD2 TYR 43 -1.948 7.940 -7.999 354 HE1 TYR 43 HE1 TYR 43 -0.416 8.990 -3.434 355 HE2 TYR 43 HE2 TYR 43 -1.035 10.163 -7.486 356 HH TYR 43 HH TYR 43 -0.485 11.595 -5.771 357 H ARG 44 H ARG 44 -4.881 4.668 -5.447 358 HA ARG 44 HA ARG 44 -5.606 6.442 -3.321 359 HB2 ARG 44 HB2 ARG 44 -7.308 4.597 -5.033 360 HB3 ARG 44 HB3 ARG 44 -7.963 5.807 -3.930 361 HG2 ARG 44 HG2 ARG 44 -6.882 7.600 -5.232 362 HG3 ARG 44 HG3 ARG 44 -6.188 6.401 -6.326 363 HD2 ARG 44 HD2 ARG 44 -8.456 5.730 -7.039 364 HD3 ARG 44 HD3 ARG 44 -9.162 6.912 -5.929 365 HE ARG 44 HE ARG 44 -7.460 8.360 -7.529 366 HH11 ARG 44 HH11 ARG 44 -10.226 6.363 -8.167 367 HH12 ARG 44 HH12 ARG 44 -10.640 7.240 -9.597 368 HH21 ARG 44 HH21 ARG 44 -8.025 9.447 -9.340 369 HH22 ARG 44 HH22 ARG 44 -9.423 8.965 -10.237 370 H LEU 45 H LEU 45 -5.308 2.961 -3.506 371 HA LEU 45 HA LEU 45 -6.694 2.414 -1.029 372 HB2 LEU 45 HB2 LEU 45 -4.841 0.650 -2.668 373 HB3 LEU 45 HB3 LEU 45 -5.819 0.099 -1.316 374 HG LEU 45 HG LEU 45 -6.836 1.114 -3.999 375 HD11 LEU 45 HD11 LEU 45 -6.994 -1.660 -2.800 376 HD12 LEU 45 HD12 LEU 45 -5.953 -1.149 -4.132 377 HD13 LEU 45 HD13 LEU 45 -7.703 -1.149 -4.336 378 HD21 LEU 45 HD21 LEU 45 -9.116 0.601 -3.236 379 HD22 LEU 45 HD22 LEU 45 -8.380 1.887 -2.284 380 HD23 LEU 45 HD23 LEU 45 -8.503 0.257 -1.616 381 H VAL 46 H VAL 46 -3.266 2.712 -2.023 382 HA VAL 46 HA VAL 46 -2.124 2.314 0.564 383 HB VAL 46 HB VAL 46 -1.056 3.596 -1.979 384 HG11 VAL 46 HG11 VAL 46 0.474 3.344 0.639 385 HG12 VAL 46 HG12 VAL 46 0.039 4.844 -0.178 386 HG13 VAL 46 HG13 VAL 46 1.196 3.745 -0.921 387 HG21 VAL 46 HG21 VAL 46 -0.273 1.057 -0.482 388 HG22 VAL 46 HG22 VAL 46 0.449 1.623 -1.991 389 HG23 VAL 46 HG23 VAL 46 -1.245 1.137 -1.955 390 H HIS 47 H HIS 47 -3.463 5.143 -1.041 391 HA HIS 47 HA HIS 47 -2.755 7.192 0.752 392 HB2 HIS 47 HB2 HIS 47 -3.844 7.596 -1.433 393 HB3 HIS 47 HB3 HIS 47 -5.316 6.824 -0.863 394 HD1 HIS 47 HD1 HIS 47 -6.672 8.165 1.018 395 HD2 HIS 47 HD2 HIS 47 -3.674 10.307 -0.887 396 HE1 HIS 47 HE1 HIS 47 -7.161 10.568 1.498 397 HE2 HIS 47 HE2 HIS 47 -5.421 11.845 0.208 398 H THR 48 H THR 48 -5.378 4.817 0.827 399 HA THR 48 HA THR 48 -6.541 5.672 3.309 400 HB THR 48 HB THR 48 -6.843 2.983 1.901 401 HG1 THR 48 HG1 THR 48 -8.468 3.888 0.772 402 HG21 THR 48 HG21 THR 48 -9.015 2.856 3.114 403 HG22 THR 48 HG22 THR 48 -8.606 4.333 3.987 404 HG23 THR 48 HG23 THR 48 -7.638 2.873 4.223 405 H MET 49 H MET 49 -4.057 3.232 2.428 406 HA MET 49 HA MET 49 -3.762 2.048 5.009 407 HB2 MET 49 HB2 MET 49 -1.649 2.394 2.843 408 HB3 MET 49 HB3 MET 49 -1.514 1.318 4.231 409 HG2 MET 49 HG2 MET 49 -3.420 0.022 3.403 410 HG3 MET 49 HG3 MET 49 -3.555 1.108 2.023 411 HE1 MET 49 HE1 MET 49 -2.227 -2.053 0.270 412 HE2 MET 49 HE2 MET 49 -3.500 -0.831 0.356 413 HE3 MET 49 HE3 MET 49 -3.337 -2.032 1.640 414 H LYS 50 H LYS 50 -2.461 4.951 3.545 415 HA LYS 50 HA LYS 50 -0.482 5.639 5.425 416 HB2 LYS 50 HB2 LYS 50 -0.744 6.650 3.128 417 HB3 LYS 50 HB3 LYS 50 -2.145 7.533 3.713 418 HG2 LYS 50 HG2 LYS 50 -0.664 8.662 5.401 419 HG3 LYS 50 HG3 LYS 50 0.719 7.850 4.670 420 HD2 LYS 50 HD2 LYS 50 0.591 10.119 3.790 421 HD3 LYS 50 HD3 LYS 50 0.193 8.987 2.492 422 HE2 LYS 50 HE2 LYS 50 -1.341 10.899 2.458 423 HE3 LYS 50 HE3 LYS 50 -2.224 9.427 2.865 424 HZ1 LYS 50 HZ1 LYS 50 -2.073 10.083 5.222 425 HZ2 LYS 50 HZ2 LYS 50 -2.908 11.223 4.288 426 HZ3 LYS 50 HZ3 LYS 50 -1.319 11.524 4.763 427 H GLU 51 H GLU 51 -3.892 6.794 5.105 428 HA GLU 51 HA GLU 51 -3.944 8.377 7.428 429 HB2 GLU 51 HB2 GLU 51 -6.359 8.425 7.273 430 HB3 GLU 51 HB3 GLU 51 -5.721 8.441 5.635 431 HG2 GLU 51 HG2 GLU 51 -6.247 6.062 5.389 432 HG3 GLU 51 HG3 GLU 51 -6.822 5.994 7.047 433 H ILE 52 H ILE 52 -4.510 4.900 7.033 434 HA ILE 52 HA ILE 52 -5.540 4.321 9.624 435 HB ILE 52 HB ILE 52 -4.190 2.562 7.528 436 HG12 ILE 52 HG12 ILE 52 -7.117 2.723 8.410 437 HG13 ILE 52 HG13 ILE 52 -6.456 3.496 6.974 438 HG21 ILE 52 HG21 ILE 52 -5.469 1.589 10.113 439 HG22 ILE 52 HG22 ILE 52 -3.760 1.485 9.687 440 HG23 ILE 52 HG23 ILE 52 -4.949 0.556 8.778 441 HD11 ILE 52 HD11 ILE 52 -5.940 1.290 6.030 442 HD12 ILE 52 HD12 ILE 52 -7.652 1.469 6.410 443 HD13 ILE 52 HD13 ILE 52 -6.612 0.522 7.472 444 H THR 53 H THR 53 -2.162 3.968 8.347 445 HA THR 53 HA THR 53 -1.062 3.158 10.851 446 HB THR 53 HB THR 53 0.230 2.594 8.915 447 HG1 THR 53 HG1 THR 53 1.693 4.633 10.238 448 HG21 THR 53 HG21 THR 53 1.368 4.227 7.483 449 HG22 THR 53 HG22 THR 53 0.596 5.547 8.360 450 HG23 THR 53 HG23 THR 53 -0.385 4.442 7.395 451 H GLU 54 H GLU 54 -1.657 6.348 9.476 452 HA GLU 54 HA GLU 54 -0.166 7.841 11.426 453 HB2 GLU 54 HB2 GLU 54 -2.385 8.674 9.528 454 HB3 GLU 54 HB3 GLU 54 -1.516 9.807 10.557 455 HG2 GLU 54 HG2 GLU 54 0.581 9.248 9.423 456 HG3 GLU 54 HG3 GLU 54 -0.245 8.056 8.427 457 H THR 55 H THR 55 -3.573 6.735 11.245 458 HA THR 55 HA THR 55 -4.399 8.010 13.708 459 HB THR 55 HB THR 55 -6.406 6.472 13.603 460 HG1 THR 55 HG1 THR 55 -6.593 5.283 11.553 461 HG21 THR 55 HG21 THR 55 -6.519 8.661 12.487 462 HG22 THR 55 HG22 THR 55 -7.412 7.448 11.569 463 HG23 THR 55 HG23 THR 55 -5.816 7.966 11.024 464 H MET 56 H MET 56 -2.805 4.998 12.920 465 HA MET 56 HA MET 56 -3.006 3.901 15.617 466 HB2 MET 56 HB2 MET 56 -1.367 3.025 13.205 467 HB3 MET 56 HB3 MET 56 -1.404 2.160 14.736 468 HG2 MET 56 HG2 MET 56 -3.860 1.830 14.443 469 HG3 MET 56 HG3 MET 56 -3.733 2.586 12.852 470 HE1 MET 56 HE1 MET 56 -4.269 -1.239 12.043 471 HE2 MET 56 HE2 MET 56 -4.923 0.389 11.857 472 HE3 MET 56 HE3 MET 56 -4.938 -0.396 13.440 473 H GLY 57 H GLY 57 -1.129 6.312 14.187 474 HA2 GLY 57 HA2 GLY 57 0.441 7.697 15.153 475 HA3 GLY 57 HA3 GLY 57 0.440 6.671 16.574 476 H PHE 58 H PHE 58 1.080 5.078 13.582 477 HA PHE 58 HA PHE 58 3.878 4.618 14.241 478 HB2 PHE 58 HB2 PHE 58 1.990 3.554 12.124 479 HB3 PHE 58 HB3 PHE 58 3.693 3.165 12.098 480 HD1 PHE 58 HD2 PHE 58 4.576 2.295 14.547 481 HD2 PHE 58 HD1 PHE 58 0.593 1.931 13.039 482 HE1 PHE 58 HE2 PHE 58 4.175 0.390 16.050 483 HE2 PHE 58 HE1 PHE 58 0.204 0.028 14.544 484 HZ PHE 58 HZ PHE 58 1.992 -0.746 16.052 485 H SER 59 H SER 59 5.150 6.378 13.755 486 HA SER 59 HA SER 59 4.737 8.066 11.447 487 HB2 SER 59 HB2 SER 59 7.140 7.977 13.323 488 HB3 SER 59 HB3 SER 59 6.731 9.274 12.193 489 HG SER 59 HG SER 59 5.240 9.984 13.531 490 H SER 60 H SER 60 7.197 5.620 12.342 491 HA SER 60 HA SER 60 8.845 5.805 10.063 492 HB2 SER 60 HB2 SER 60 8.329 3.408 11.880 493 HB3 SER 60 HB3 SER 60 9.618 3.476 10.676 494 HG SER 60 HG SER 60 9.835 4.231 13.106 495 H VAL 61 H VAL 61 5.952 3.870 10.658 496 HA VAL 61 HA VAL 61 6.032 2.388 8.198 497 HB VAL 61 HB VAL 61 3.587 2.882 9.945 498 HG11 VAL 61 HG11 VAL 61 4.257 0.586 8.060 499 HG12 VAL 61 HG12 VAL 61 3.052 1.848 7.788 500 HG13 VAL 61 HG13 VAL 61 2.823 0.680 9.090 501 HG21 VAL 61 HG21 VAL 61 5.430 2.105 11.369 502 HG22 VAL 61 HG22 VAL 61 5.691 0.718 10.306 503 HG23 VAL 61 HG23 VAL 61 4.182 0.867 11.215 504 H ALA 62 H ALA 62 4.182 5.245 9.354 505 HA ALA 62 HA ALA 62 2.692 5.861 7.074 506 HB1 ALA 62 HB1 ALA 62 3.959 7.823 9.027 507 HB2 ALA 62 HB2 ALA 62 2.358 7.082 9.169 508 HB3 ALA 62 HB3 ALA 62 2.692 8.219 7.854 509 H LYS 63 H LYS 63 6.093 6.487 7.746 510 HA LYS 63 HA LYS 63 6.703 8.137 5.529 511 HB2 LYS 63 HB2 LYS 63 8.160 7.883 7.537 512 HB3 LYS 63 HB3 LYS 63 8.523 6.228 7.058 513 HG2 LYS 63 HG2 LYS 63 9.556 7.119 4.950 514 HG3 LYS 63 HG3 LYS 63 9.278 8.756 5.551 515 HD2 LYS 63 HD2 LYS 63 10.739 8.270 7.511 516 HD3 LYS 63 HD3 LYS 63 11.017 6.642 6.885 517 HE2 LYS 63 HE2 LYS 63 11.847 9.247 5.562 518 HE3 LYS 63 HE3 LYS 63 12.914 8.073 6.333 519 HZ1 LYS 63 HZ1 LYS 63 12.994 7.776 3.983 520 HZ2 LYS 63 HZ2 LYS 63 11.314 7.677 3.862 521 HZ3 LYS 63 HZ3 LYS 63 12.176 6.443 4.634 522 H VAL 64 H VAL 64 6.843 4.595 5.978 523 HA VAL 64 HA VAL 64 7.923 3.875 3.465 524 HB VAL 64 HB VAL 64 6.075 2.255 5.280 525 HG11 VAL 64 HG11 VAL 64 6.084 1.291 3.010 526 HG12 VAL 64 HG12 VAL 64 6.951 0.240 4.129 527 HG13 VAL 64 HG13 VAL 64 7.848 1.266 3.006 528 HG21 VAL 64 HG21 VAL 64 8.162 1.196 6.101 529 HG22 VAL 64 HG22 VAL 64 8.145 2.930 6.417 530 HG23 VAL 64 HG23 VAL 64 9.115 2.287 5.091 531 H LEU 65 H LEU 65 4.505 4.131 4.512 532 HA LEU 65 HA LEU 65 3.342 3.568 1.968 533 HB2 LEU 65 HB2 LEU 65 2.257 4.987 4.427 534 HB3 LEU 65 HB3 LEU 65 1.295 4.820 2.972 535 HG LEU 65 HG LEU 65 0.653 3.106 4.571 536 HD11 LEU 65 HD11 LEU 65 0.911 1.094 3.198 537 HD12 LEU 65 HD12 LEU 65 2.210 1.856 2.278 538 HD13 LEU 65 HD13 LEU 65 0.566 2.497 2.190 539 HD21 LEU 65 HD21 LEU 65 2.215 1.328 5.297 540 HD22 LEU 65 HD22 LEU 65 2.655 2.926 5.900 541 HD23 LEU 65 HD23 LEU 65 3.548 2.224 4.547 542 H HIS 66 H HIS 66 4.487 6.523 3.488 543 HA HIS 66 HA HIS 66 3.460 8.412 1.646 544 HB2 HIS 66 HB2 HIS 66 4.353 8.843 3.996 545 HB3 HIS 66 HB3 HIS 66 5.972 8.721 3.340 546 HD1 HIS 66 HD1 HIS 66 6.834 10.747 1.988 547 HD2 HIS 66 HD2 HIS 66 2.925 11.162 3.338 548 HE1 HIS 66 HE1 HIS 66 6.264 13.161 1.646 549 HE2 HIS 66 HE2 HIS 66 3.957 13.420 2.609 550 H THR 67 H THR 67 6.328 6.315 1.570 551 HA THR 67 HA THR 67 7.613 7.670 -0.650 552 HB THR 67 HB THR 67 9.093 5.786 -0.947 553 HG1 THR 67 HG1 THR 67 7.773 4.166 0.934 554 HG21 THR 67 HG21 THR 67 8.540 6.033 2.018 555 HG22 THR 67 HG22 THR 67 9.584 7.095 1.074 556 HG23 THR 67 HG23 THR 67 10.017 5.398 1.288 557 H ILE 68 H ILE 68 5.260 5.035 -0.342 558 HA ILE 68 HA ILE 68 5.245 4.235 -3.088 559 HB ILE 68 HB ILE 68 2.904 3.887 -1.164 560 HG12 ILE 68 HG12 ILE 68 4.795 3.050 0.089 561 HG13 ILE 68 HG13 ILE 68 3.933 1.652 -0.535 562 HG21 ILE 68 HG21 ILE 68 2.434 1.846 -2.480 563 HG22 ILE 68 HG22 ILE 68 3.808 2.200 -3.528 564 HG23 ILE 68 HG23 ILE 68 2.422 3.289 -3.494 565 HD11 ILE 68 HD11 ILE 68 6.503 2.812 -1.605 566 HD12 ILE 68 HD12 ILE 68 5.632 1.438 -2.309 567 HD13 ILE 68 HD13 ILE 68 6.298 1.326 -0.677 568 H MET 69 H MET 69 3.231 6.434 -1.168 569 HA MET 69 HA MET 69 1.362 7.407 -2.969 570 HB2 MET 69 HB2 MET 69 2.952 8.913 -0.838 571 HB3 MET 69 HB3 MET 69 1.542 9.580 -1.650 572 HG2 MET 69 HG2 MET 69 1.433 7.019 -0.058 573 HG3 MET 69 HG3 MET 69 1.176 8.610 0.657 574 HE1 MET 69 HE1 MET 69 -0.844 10.192 0.094 575 HE2 MET 69 HE2 MET 69 -2.057 9.841 -1.138 576 HE3 MET 69 HE3 MET 69 -0.395 10.186 -1.614 577 H ASN 70 H ASN 70 4.647 8.603 -2.409 578 HA ASN 70 HA ASN 70 4.785 10.583 -4.427 579 HB2 ASN 70 HB2 ASN 70 6.255 10.421 -2.405 580 HB3 ASN 70 HB3 ASN 70 7.019 8.985 -3.092 581 HD21 ASN 70 HD21 ASN 70 6.721 12.449 -3.312 582 HD22 ASN 70 HD22 ASN 70 8.081 12.698 -4.345 583 H LEU 71 H LEU 71 5.588 7.170 -4.386 584 HA LEU 71 HA LEU 71 7.244 7.043 -6.686 585 HB2 LEU 71 HB2 LEU 71 7.123 5.493 -4.648 586 HB3 LEU 71 HB3 LEU 71 5.710 4.759 -5.374 587 HG LEU 71 HG LEU 71 8.419 4.800 -6.749 588 HD11 LEU 71 HD11 LEU 71 8.698 3.666 -4.578 589 HD12 LEU 71 HD12 LEU 71 8.818 2.520 -5.909 590 HD13 LEU 71 HD13 LEU 71 7.339 2.598 -4.946 591 HD21 LEU 71 HD21 LEU 71 7.515 2.843 -7.991 592 HD22 LEU 71 HD22 LEU 71 6.568 4.304 -8.257 593 HD23 LEU 71 HD23 LEU 71 5.966 3.053 -7.168 594 H VAL 72 H VAL 72 3.886 5.933 -6.156 595 HA VAL 72 HA VAL 72 3.342 5.134 -8.825 596 HB VAL 72 HB VAL 72 1.312 5.938 -6.684 597 HG11 VAL 72 HG11 VAL 72 1.008 4.137 -9.118 598 HG12 VAL 72 HG12 VAL 72 0.308 5.743 -8.917 599 HG13 VAL 72 HG13 VAL 72 -0.234 4.416 -7.891 600 HG21 VAL 72 HG21 VAL 72 2.524 3.185 -7.190 601 HG22 VAL 72 HG22 VAL 72 1.235 3.549 -6.042 602 HG23 VAL 72 HG23 VAL 72 2.848 4.216 -5.793 603 H ASP 73 H ASP 73 2.772 8.137 -7.045 604 HA ASP 73 HA ASP 73 1.236 9.658 -8.798 605 HB2 ASP 73 HB2 ASP 73 1.861 10.259 -6.439 606 HB3 ASP 73 HB3 ASP 73 3.494 10.619 -6.981 607 H LYS 74 H LYS 74 4.758 9.201 -8.724 608 HA LYS 74 HA LYS 74 5.300 11.104 -10.820 609 HB2 LYS 74 HB2 LYS 74 6.914 9.502 -8.914 610 HB3 LYS 74 HB3 LYS 74 7.676 9.651 -10.493 611 HG2 LYS 74 HG2 LYS 74 8.422 11.444 -8.989 612 HG3 LYS 74 HG3 LYS 74 7.555 12.089 -10.385 613 HD2 LYS 74 HD2 LYS 74 5.452 12.079 -8.798 614 HD3 LYS 74 HD3 LYS 74 6.627 11.908 -7.493 615 HE2 LYS 74 HE2 LYS 74 6.564 14.178 -9.511 616 HE3 LYS 74 HE3 LYS 74 5.928 14.261 -7.870 617 HZ1 LYS 74 HZ1 LYS 74 8.763 13.799 -8.601 618 HZ2 LYS 74 HZ2 LYS 74 8.153 13.893 -7.028 619 HZ3 LYS 74 HZ3 LYS 74 8.107 15.250 -8.033 620 H MET 75 H MET 75 4.910 7.599 -10.731 621 HA MET 75 HA MET 75 5.835 7.178 -13.432 622 HB2 MET 75 HB2 MET 75 4.171 5.372 -11.635 623 HB3 MET 75 HB3 MET 75 4.842 4.895 -13.190 624 HG2 MET 75 HG2 MET 75 7.139 5.440 -12.231 625 HG3 MET 75 HG3 MET 75 6.350 5.565 -10.656 626 HE1 MET 75 HE1 MET 75 4.089 3.113 -11.171 627 HE2 MET 75 HE2 MET 75 4.889 3.476 -9.639 628 HE3 MET 75 HE3 MET 75 4.959 1.843 -10.309 629 H LEU 76 H LEU 76 2.772 8.021 -11.993 630 HA LEU 76 HA LEU 76 0.814 7.232 -13.769 631 HB2 LEU 76 HB2 LEU 76 0.488 8.396 -11.575 632 HB3 LEU 76 HB3 LEU 76 0.996 9.905 -12.320 633 HG LEU 76 HG LEU 76 -1.014 9.801 -13.825 634 HD11 LEU 76 HD11 LEU 76 -1.405 7.394 -13.859 635 HD12 LEU 76 HD12 LEU 76 -2.851 8.241 -13.317 636 HD13 LEU 76 HD13 LEU 76 -1.826 7.410 -12.144 637 HD21 LEU 76 HD21 LEU 76 -1.642 9.745 -10.849 638 HD22 LEU 76 HD22 LEU 76 -2.673 10.431 -12.107 639 HD23 LEU 76 HD23 LEU 76 -1.098 11.147 -11.774 640 H ASN 77 H ASN 77 2.901 10.075 -14.067 641 HA ASN 77 HA ASN 77 1.737 10.983 -16.565 642 HB2 ASN 77 HB2 ASN 77 3.974 12.485 -16.479 643 HB3 ASN 77 HB3 ASN 77 2.572 12.862 -15.515 644 HD21 ASN 77 HD21 ASN 77 2.599 12.216 -13.262 645 HD22 ASN 77 HD22 ASN 77 4.110 12.065 -12.441 646 H SER 78 H SER 78 2.471 10.667 -18.613 647 HA SER 78 HA SER 78 4.276 8.488 -19.160 648 HB2 SER 78 HB2 SER 78 2.246 8.903 -20.553 649 HB3 SER 78 HB3 SER 78 2.955 10.412 -21.124 650 HG SER 78 HG SER 78 3.457 7.825 -21.898 651 H GLU 79 H GLU 79 6.076 9.478 -18.047 652 HA GLU 79 HA GLU 79 8.004 10.650 -19.838 653 HB2 GLU 79 HB2 GLU 79 8.508 12.680 -18.610 654 HB3 GLU 79 HB3 GLU 79 6.768 12.680 -18.900 655 HG2 GLU 79 HG2 GLU 79 6.311 12.038 -16.625 656 HG3 GLU 79 HG3 GLU 79 8.025 11.814 -16.289 657 H ILE 80 H ILE 80 7.154 9.589 -16.558 658 HA ILE 80 HA ILE 80 9.860 8.445 -16.132 659 HB ILE 80 HB ILE 80 7.562 8.827 -14.146 660 HG12 ILE 80 HG12 ILE 80 10.207 10.355 -14.323 661 HG13 ILE 80 HG13 ILE 80 8.652 10.986 -14.840 662 HG21 ILE 80 HG21 ILE 80 9.182 8.157 -12.387 663 HG22 ILE 80 HG22 ILE 80 10.393 7.818 -13.625 664 HG23 ILE 80 HG23 ILE 80 8.915 6.858 -13.550 665 HD11 ILE 80 HD11 ILE 80 7.884 10.850 -12.512 666 HD12 ILE 80 HD12 ILE 80 9.292 11.888 -12.719 667 HD13 ILE 80 HD13 ILE 80 9.486 10.273 -12.040 668 H LYS 81 H LYS 81 9.952 6.440 -16.970 669 HA LYS 81 HA LYS 81 7.715 4.829 -17.634 670 HB2 LYS 81 HB2 LYS 81 10.665 4.107 -17.448 671 HB3 LYS 81 HB3 LYS 81 9.428 3.031 -18.096 672 HG2 LYS 81 HG2 LYS 81 8.948 4.671 -19.894 673 HG3 LYS 81 HG3 LYS 81 10.205 5.732 -19.248 674 HD2 LYS 81 HD2 LYS 81 11.049 4.427 -21.169 675 HD3 LYS 81 HD3 LYS 81 11.918 4.020 -19.690 676 HE2 LYS 81 HE2 LYS 81 10.549 1.966 -19.451 677 HE3 LYS 81 HE3 LYS 81 9.672 2.381 -20.926 678 HZ1 LYS 81 HZ1 LYS 81 11.704 2.164 -22.174 679 HZ2 LYS 81 HZ2 LYS 81 11.410 0.744 -21.308 680 HZ3 LYS 81 HZ3 LYS 81 12.582 1.834 -20.768 681 H ILE 82 H ILE 82 6.980 2.869 -16.777 682 HA ILE 82 HA ILE 82 7.279 2.541 -13.900 683 HB ILE 82 HB ILE 82 5.506 0.920 -15.798 684 HG12 ILE 82 HG12 ILE 82 3.620 2.329 -14.665 685 HG13 ILE 82 HG13 ILE 82 4.895 3.449 -14.206 686 HG21 ILE 82 HG21 ILE 82 4.289 0.257 -13.746 687 HG22 ILE 82 HG22 ILE 82 5.461 1.136 -12.762 688 HG23 ILE 82 HG23 ILE 82 5.973 -0.266 -13.704 689 HD11 ILE 82 HD11 ILE 82 5.384 3.842 -16.569 690 HD12 ILE 82 HD12 ILE 82 3.694 4.172 -16.186 691 HD13 ILE 82 HD13 ILE 82 4.131 2.682 -17.018 692 H THR 83 H THR 83 9.381 1.918 -13.780 693 HA THR 83 HA THR 83 10.578 -0.248 -15.145 694 HB THR 83 HB THR 83 11.372 1.102 -12.525 695 HG1 THR 83 HG1 THR 83 12.781 2.289 -13.855 696 HG21 THR 83 HG21 THR 83 13.053 -0.689 -14.323 697 HG22 THR 83 HG22 THR 83 12.500 -1.085 -12.693 698 HG23 THR 83 HG23 THR 83 13.656 0.224 -12.940 699 H SER 84 H SER 84 10.583 -2.456 -14.679 700 HA SER 84 HA SER 84 8.661 -3.585 -12.946 701 HB2 SER 84 HB2 SER 84 9.471 -4.791 -14.924 702 HB3 SER 84 HB3 SER 84 11.077 -4.931 -14.212 703 HG SER 84 HG SER 84 8.736 -6.326 -13.644 704 H ASP 85 H ASP 85 12.140 -3.066 -12.472 705 HA ASP 85 HA ASP 85 12.449 -4.323 -9.944 706 HB2 ASP 85 HB2 ASP 85 13.938 -1.896 -11.021 707 HB3 ASP 85 HB3 ASP 85 14.473 -2.943 -9.710 708 H LEU 86 H LEU 86 11.320 -1.119 -10.873 709 HA LEU 86 HA LEU 86 11.231 -0.013 -8.221 710 HB2 LEU 86 HB2 LEU 86 11.478 1.333 -10.339 711 HB3 LEU 86 HB3 LEU 86 9.802 0.960 -10.713 712 HG LEU 86 HG LEU 86 9.214 2.049 -8.457 713 HD11 LEU 86 HD11 LEU 86 10.800 3.708 -7.560 714 HD12 LEU 86 HD12 LEU 86 12.037 3.134 -8.680 715 HD13 LEU 86 HD13 LEU 86 11.413 2.062 -7.426 716 HD21 LEU 86 HD21 LEU 86 10.335 3.783 -10.687 717 HD22 LEU 86 HD22 LEU 86 9.227 4.327 -9.424 718 HD23 LEU 86 HD23 LEU 86 8.704 3.109 -10.587 719 H ILE 87 H ILE 87 8.786 -1.475 -10.386 720 HA ILE 87 HA ILE 87 6.531 -1.408 -8.750 721 HB ILE 87 HB ILE 87 7.409 -3.772 -10.480 722 HG12 ILE 87 HG12 ILE 87 5.648 -1.430 -11.344 723 HG13 ILE 87 HG13 ILE 87 7.348 -1.603 -11.763 724 HG21 ILE 87 HG21 ILE 87 4.602 -3.010 -9.590 725 HG22 ILE 87 HG22 ILE 87 5.545 -4.372 -8.987 726 HG23 ILE 87 HG23 ILE 87 5.013 -4.348 -10.666 727 HD11 ILE 87 HD11 ILE 87 5.928 -2.268 -13.607 728 HD12 ILE 87 HD12 ILE 87 5.121 -3.465 -12.597 729 HD13 ILE 87 HD13 ILE 87 6.828 -3.660 -13.005 730 H ASP 88 H ASP 88 9.435 -3.448 -8.629 731 HA ASP 88 HA ASP 88 8.514 -5.314 -6.646 732 HB2 ASP 88 HB2 ASP 88 10.453 -5.613 -8.313 733 HB3 ASP 88 HB3 ASP 88 11.409 -4.591 -7.256 734 H LYS 89 H LYS 89 10.041 -2.135 -6.557 735 HA LYS 89 HA LYS 89 10.715 -2.024 -3.794 736 HB2 LYS 89 HB2 LYS 89 11.547 -0.444 -5.553 737 HB3 LYS 89 HB3 LYS 89 9.940 0.258 -5.658 738 HG2 LYS 89 HG2 LYS 89 10.097 1.117 -3.384 739 HG3 LYS 89 HG3 LYS 89 11.631 0.276 -3.130 740 HD2 LYS 89 HD2 LYS 89 12.677 1.666 -4.906 741 HD3 LYS 89 HD3 LYS 89 11.146 2.519 -5.133 742 HE2 LYS 89 HE2 LYS 89 11.272 3.396 -2.845 743 HE3 LYS 89 HE3 LYS 89 12.760 2.489 -2.557 744 HZ1 LYS 89 HZ1 LYS 89 12.445 4.619 -4.603 745 HZ2 LYS 89 HZ2 LYS 89 13.875 3.802 -4.219 746 HZ3 LYS 89 HZ3 LYS 89 13.163 4.838 -3.087 747 H VAL 90 H VAL 90 7.767 -1.202 -5.600 748 HA VAL 90 HA VAL 90 6.155 -0.313 -3.418 749 HB VAL 90 HB VAL 90 5.155 -1.672 -5.970 750 HG11 VAL 90 HG11 VAL 90 3.402 -1.358 -4.279 751 HG12 VAL 90 HG12 VAL 90 3.123 -0.287 -5.651 752 HG13 VAL 90 HG13 VAL 90 3.796 0.358 -4.153 753 HG21 VAL 90 HG21 VAL 90 6.693 0.103 -6.629 754 HG22 VAL 90 HG22 VAL 90 5.857 1.262 -5.590 755 HG23 VAL 90 HG23 VAL 90 5.036 0.582 -6.997 756 H LYS 91 H LYS 91 6.732 -3.463 -4.894 757 HA LYS 91 HA LYS 91 4.640 -4.969 -3.748 758 HB2 LYS 91 HB2 LYS 91 6.567 -5.402 -5.718 759 HB3 LYS 91 HB3 LYS 91 7.145 -6.464 -4.451 760 HG2 LYS 91 HG2 LYS 91 4.378 -6.537 -5.676 761 HG3 LYS 91 HG3 LYS 91 5.705 -7.615 -6.103 762 HD2 LYS 91 HD2 LYS 91 5.685 -8.499 -3.766 763 HD3 LYS 91 HD3 LYS 91 4.316 -7.443 -3.396 764 HE2 LYS 91 HE2 LYS 91 3.585 -9.755 -3.895 765 HE3 LYS 91 HE3 LYS 91 2.937 -8.605 -5.068 766 HZ1 LYS 91 HZ1 LYS 91 5.352 -10.281 -5.505 767 HZ2 LYS 91 HZ2 LYS 91 4.605 -9.271 -6.644 768 HZ3 LYS 91 HZ3 LYS 91 3.806 -10.650 -6.083 769 H LYS 92 H LYS 92 8.085 -4.698 -2.850 770 HA LYS 92 HA LYS 92 7.935 -6.506 -0.644 771 HB2 LYS 92 HB2 LYS 92 9.996 -6.205 -1.978 772 HB3 LYS 92 HB3 LYS 92 10.124 -4.548 -1.410 773 HG2 LYS 92 HG2 LYS 92 11.671 -6.019 -0.190 774 HG3 LYS 92 HG3 LYS 92 10.448 -5.324 0.885 775 HD2 LYS 92 HD2 LYS 92 9.163 -7.424 0.825 776 HD3 LYS 92 HD3 LYS 92 10.332 -8.128 -0.295 777 HE2 LYS 92 HE2 LYS 92 11.015 -7.205 2.513 778 HE3 LYS 92 HE3 LYS 92 10.590 -8.864 2.094 779 HZ1 LYS 92 HZ1 LYS 92 12.485 -8.887 0.566 780 HZ2 LYS 92 HZ2 LYS 92 12.949 -8.627 2.171 781 HZ3 LYS 92 HZ3 LYS 92 12.919 -7.334 1.082 782 H LYS 93 H LYS 93 7.883 -2.954 -0.905 783 HA LYS 93 HA LYS 93 7.856 -2.438 1.901 784 HB2 LYS 93 HB2 LYS 93 6.924 -0.743 -0.442 785 HB3 LYS 93 HB3 LYS 93 6.883 -0.178 1.226 786 HG2 LYS 93 HG2 LYS 93 9.355 -0.550 1.371 787 HG3 LYS 93 HG3 LYS 93 9.356 -0.978 -0.342 788 HD2 LYS 93 HD2 LYS 93 8.485 1.295 -0.885 789 HD3 LYS 93 HD3 LYS 93 8.539 1.713 0.829 790 HE2 LYS 93 HE2 LYS 93 10.917 0.997 -0.914 791 HE3 LYS 93 HE3 LYS 93 10.483 2.614 -0.361 792 HZ1 LYS 93 HZ1 LYS 93 10.892 1.949 1.893 793 HZ2 LYS 93 HZ2 LYS 93 12.253 1.584 0.959 794 HZ3 LYS 93 HZ3 LYS 93 11.195 0.355 1.425 795 H LEU 94 H LEU 94 5.287 -3.207 -0.400 796 HA LEU 94 HA LEU 94 3.047 -2.795 1.328 797 HB2 LEU 94 HB2 LEU 94 2.781 -3.008 -1.096 798 HB3 LEU 94 HB3 LEU 94 3.431 -4.639 -1.059 799 HG LEU 94 HG LEU 94 1.405 -5.342 0.302 800 HD11 LEU 94 HD11 LEU 94 0.757 -3.154 1.214 801 HD12 LEU 94 HD12 LEU 94 -0.577 -3.897 0.337 802 HD13 LEU 94 HD13 LEU 94 0.342 -2.587 -0.408 803 HD21 LEU 94 HD21 LEU 94 0.858 -4.199 -2.455 804 HD22 LEU 94 HD22 LEU 94 -0.121 -5.413 -1.628 805 HD23 LEU 94 HD23 LEU 94 1.535 -5.789 -2.097 806 H ASP 95 H ASP 95 5.071 -5.637 0.620 807 HA ASP 95 HA ASP 95 4.016 -7.546 2.362 808 HB2 ASP 95 HB2 ASP 95 6.822 -6.991 1.360 809 HB3 ASP 95 HB3 ASP 95 6.517 -8.340 2.434 810 H MET 96 H MET 96 6.339 -4.968 2.986 811 HA MET 96 HA MET 96 6.904 -5.475 5.698 812 HB2 MET 96 HB2 MET 96 8.361 -4.083 4.388 813 HB3 MET 96 HB3 MET 96 7.062 -2.986 3.975 814 HG2 MET 96 HG2 MET 96 8.105 -3.306 6.796 815 HG3 MET 96 HG3 MET 96 8.765 -2.135 5.655 816 HE1 MET 96 HE1 MET 96 8.227 -0.257 7.607 817 HE2 MET 96 HE2 MET 96 7.475 -1.489 8.622 818 HE3 MET 96 HE3 MET 96 6.608 0.003 8.252 819 H VAL 97 H VAL 97 4.359 -3.439 4.176 820 HA VAL 97 HA VAL 97 3.223 -2.293 6.488 821 HB VAL 97 HB VAL 97 1.749 -3.101 3.930 822 HG11 VAL 97 HG11 VAL 97 0.951 -1.049 6.037 823 HG12 VAL 97 HG12 VAL 97 0.153 -2.591 5.728 824 HG13 VAL 97 HG13 VAL 97 0.111 -1.322 4.506 825 HG21 VAL 97 HG21 VAL 97 2.135 -0.777 3.164 826 HG22 VAL 97 HG22 VAL 97 3.645 -1.644 3.409 827 HG23 VAL 97 HG23 VAL 97 3.111 -0.464 4.603 828 H THR 98 H THR 98 2.473 -5.360 4.852 829 HA THR 98 HA THR 98 0.342 -6.280 6.435 830 HB THR 98 HB THR 98 2.480 -7.956 5.027 831 HG1 THR 98 HG1 THR 98 1.573 -7.105 3.311 832 HG21 THR 98 HG21 THR 98 0.738 -9.726 4.923 833 HG22 THR 98 HG22 THR 98 -0.348 -8.719 5.879 834 HG23 THR 98 HG23 THR 98 1.143 -9.332 6.595 835 H ARG 99 H ARG 99 3.803 -7.152 6.657 836 HA ARG 99 HA ARG 99 3.527 -8.758 8.994 837 HB2 ARG 99 HB2 ARG 99 5.972 -7.656 7.571 838 HB3 ARG 99 HB3 ARG 99 6.076 -8.740 8.959 839 HG2 ARG 99 HG2 ARG 99 4.782 -10.455 7.693 840 HG3 ARG 99 HG3 ARG 99 4.750 -9.374 6.299 841 HD2 ARG 99 HD2 ARG 99 7.305 -10.424 7.564 842 HD3 ARG 99 HD3 ARG 99 6.497 -11.198 6.200 843 HE ARG 99 HE ARG 99 7.731 -8.504 6.152 844 HH11 ARG 99 HH11 ARG 99 6.616 -11.282 4.427 845 HH12 ARG 99 HH12 ARG 99 7.376 -10.796 2.955 846 HH21 ARG 99 HH21 ARG 99 8.675 -7.911 4.241 847 HH22 ARG 99 HH22 ARG 99 8.510 -8.927 2.853 848 H GLU 100 H GLU 100 4.112 -5.359 8.573 849 HA GLU 100 HA GLU 100 5.163 -4.717 11.118 850 HB2 GLU 100 HB2 GLU 100 5.099 -3.190 9.116 851 HB3 GLU 100 HB3 GLU 100 3.375 -2.976 9.383 852 HG2 GLU 100 HG2 GLU 100 4.573 -1.087 10.277 853 HG3 GLU 100 HG3 GLU 100 3.849 -1.992 11.602 854 H LEU 101 H LEU 101 1.816 -5.050 9.949 855 HA LEU 101 HA LEU 101 0.607 -4.399 12.474 856 HB2 LEU 101 HB2 LEU 101 -0.363 -4.636 9.888 857 HB3 LEU 101 HB3 LEU 101 -0.987 -6.101 10.611 858 HG LEU 101 HG LEU 101 -2.686 -4.377 10.763 859 HD11 LEU 101 HD11 LEU 101 -1.485 -4.735 13.521 860 HD12 LEU 101 HD12 LEU 101 -2.543 -5.882 12.698 861 HD13 LEU 101 HD13 LEU 101 -3.153 -4.292 13.144 862 HD21 LEU 101 HD21 LEU 101 -0.649 -2.637 12.191 863 HD22 LEU 101 HD22 LEU 101 -2.345 -2.239 11.911 864 HD23 LEU 101 HD23 LEU 101 -1.246 -2.404 10.545 865 H ASP 102 H ASP 102 1.660 -7.428 10.928 866 HA ASP 102 HA ASP 102 0.536 -9.237 12.796 867 HB2 ASP 102 HB2 ASP 102 2.885 -9.509 10.892 868 HB3 ASP 102 HB3 ASP 102 2.372 -10.837 11.927 869 H LYS 103 H LYS 103 3.726 -7.604 12.786 870 HA LYS 103 HA LYS 103 4.706 -8.883 15.160 871 HB2 LYS 103 HB2 LYS 103 6.576 -7.377 15.074 872 HB3 LYS 103 HB3 LYS 103 6.179 -7.774 13.406 873 HG2 LYS 103 HG2 LYS 103 5.004 -5.603 13.177 874 HG3 LYS 103 HG3 LYS 103 5.414 -5.210 14.844 875 HD2 LYS 103 HD2 LYS 103 6.950 -4.039 13.413 876 HD3 LYS 103 HD3 LYS 103 7.847 -5.329 14.218 877 HE2 LYS 103 HE2 LYS 103 7.841 -6.669 12.205 878 HE3 LYS 103 HE3 LYS 103 6.724 -5.561 11.406 879 HZ1 LYS 103 HZ1 LYS 103 8.421 -3.854 11.463 880 HZ2 LYS 103 HZ2 LYS 103 8.991 -5.236 10.667 881 HZ3 LYS 103 HZ3 LYS 103 9.493 -4.905 12.246 882 H LYS 104 H LYS 104 2.696 -6.096 14.551 883 HA LYS 104 HA LYS 104 2.774 -4.806 17.078 884 HB2 LYS 104 HB2 LYS 104 1.897 -3.678 15.115 885 HB3 LYS 104 HB3 LYS 104 0.636 -4.890 14.919 886 HG2 LYS 104 HG2 LYS 104 -0.405 -4.145 17.038 887 HG3 LYS 104 HG3 LYS 104 0.856 -2.918 17.219 888 HD2 LYS 104 HD2 LYS 104 0.123 -1.859 15.118 889 HD3 LYS 104 HD3 LYS 104 -1.127 -3.088 14.920 890 HE2 LYS 104 HE2 LYS 104 -2.243 -2.316 16.960 891 HE3 LYS 104 HE3 LYS 104 -0.966 -1.128 17.236 892 HZ1 LYS 104 HZ1 LYS 104 -2.782 -1.169 14.884 893 HZ2 LYS 104 HZ2 LYS 104 -1.598 -0.009 15.214 894 HZ3 LYS 104 HZ3 LYS 104 -2.941 -0.153 16.227 895 H VAL 105 H VAL 105 0.535 -7.247 15.734 896 HA VAL 105 HA VAL 105 -1.083 -7.588 18.058 897 HB VAL 105 HB VAL 105 -0.630 -9.518 15.727 898 HG11 VAL 105 HG11 VAL 105 -2.810 -10.527 16.344 899 HG12 VAL 105 HG12 VAL 105 -2.898 -9.476 17.761 900 HG13 VAL 105 HG13 VAL 105 -1.628 -10.696 17.642 901 HG21 VAL 105 HG21 VAL 105 -1.473 -7.334 14.951 902 HG22 VAL 105 HG22 VAL 105 -2.813 -7.421 16.097 903 HG23 VAL 105 HG23 VAL 105 -2.710 -8.578 14.768 904 H SER 106 H SER 106 1.687 -9.438 16.766 905 HA SER 106 HA SER 106 2.556 -10.277 19.394 906 HB2 SER 106 HB2 SER 106 0.844 -12.024 18.915 907 HB3 SER 106 HB3 SER 106 1.664 -12.424 17.406 908 HG SER 106 HG SER 106 3.424 -13.164 18.584 909 H GLY 107 H GLY 107 4.750 -10.347 19.387 910 HA2 GLY 107 HA2 GLY 107 6.168 -9.726 16.943 911 HA3 GLY 107 HA3 GLY 107 6.842 -9.819 18.558 912 H SER 108 H SER 108 7.299 -12.015 19.434 913 HA SER 108 HA SER 108 7.860 -14.113 17.442 914 HB2 SER 108 HB2 SER 108 10.076 -12.736 19.034 915 HB3 SER 108 HB3 SER 108 10.286 -14.189 18.054 916 HG SER 108 HG SER 108 9.831 -12.999 16.219 917 H TYR 109 H TYR 109 9.196 -15.948 18.576 918 HA TYR 109 HA TYR 109 8.878 -16.382 21.393 919 HB2 TYR 109 HB2 TYR 109 6.551 -16.843 20.800 920 HB3 TYR 109 HB3 TYR 109 7.040 -17.903 19.485 921 HD1 TYR 109 HD1 TYR 109 7.362 -17.585 23.227 922 HD2 TYR 109 HD2 TYR 109 7.067 -20.242 19.891 923 HE1 TYR 109 HE1 TYR 109 7.272 -19.500 24.756 924 HE2 TYR 109 HE2 TYR 109 6.978 -22.157 21.428 925 HH TYR 109 HH TYR 109 6.532 -21.785 24.817 926 H LEU 110 H LEU 110 9.246 -18.003 18.238 927 HA LEU 110 HA LEU 110 10.560 -20.325 19.196 928 HB2 LEU 110 HB2 LEU 110 10.459 -19.162 16.392 929 HB3 LEU 110 HB3 LEU 110 11.025 -20.779 16.784 930 HG LEU 110 HG LEU 110 8.183 -19.767 17.222 931 HD11 LEU 110 HD11 LEU 110 7.541 -21.280 15.397 932 HD12 LEU 110 HD12 LEU 110 9.237 -21.685 15.120 933 HD13 LEU 110 HD13 LEU 110 8.663 -20.040 14.838 934 HD21 LEU 110 HD21 LEU 110 9.327 -22.556 17.641 935 HD22 LEU 110 HD22 LEU 110 7.626 -22.105 17.770 936 HD23 LEU 110 HD23 LEU 110 8.794 -21.446 18.909 937 H VAL 111 H VAL 111 12.299 -19.724 20.476 938 HA VAL 111 HA VAL 111 14.675 -18.519 19.185 939 HB VAL 111 HB VAL 111 15.589 -18.243 21.513 940 HG11 VAL 111 HG11 VAL 111 14.114 -16.369 22.188 941 HG12 VAL 111 HG12 VAL 111 12.872 -16.941 21.071 942 HG13 VAL 111 HG13 VAL 111 14.418 -16.363 20.447 943 HG21 VAL 111 HG21 VAL 111 12.838 -19.190 22.442 944 HG22 VAL 111 HG22 VAL 111 14.103 -18.527 23.482 945 HG23 VAL 111 HG23 VAL 111 14.356 -20.064 22.657 946 HA PRO 112 HA PRO 112 16.665 -22.629 19.202 947 HB2 PRO 112 HB2 PRO 112 19.237 -21.095 19.136 948 HB3 PRO 112 HB3 PRO 112 18.620 -22.298 17.997 949 HG2 PRO 112 HG2 PRO 112 18.676 -19.696 17.339 950 HG3 PRO 112 HG3 PRO 112 17.320 -20.731 16.837 951 HD2 PRO 112 HD2 PRO 112 17.457 -18.773 19.140 952 HD3 PRO 112 HD3 PRO 112 16.160 -19.011 17.943 953 H ARG 113 H ARG 113 17.809 -19.987 21.288 954 HA ARG 113 HA ARG 113 18.545 -21.910 23.430 955 HB2 ARG 113 HB2 ARG 113 19.858 -19.211 22.848 956 HB3 ARG 113 HB3 ARG 113 20.292 -20.307 24.160 957 HG2 ARG 113 HG2 ARG 113 20.987 -22.013 22.492 958 HG3 ARG 113 HG3 ARG 113 20.570 -20.900 21.190 959 HD2 ARG 113 HD2 ARG 113 22.302 -19.312 22.029 960 HD3 ARG 113 HD3 ARG 113 22.737 -20.486 23.281 961 HE ARG 113 HE ARG 113 22.976 -21.038 20.374 962 HH11 ARG 113 HH11 ARG 113 24.318 -21.247 23.562 963 HH12 ARG 113 HH12 ARG 113 25.697 -22.131 23.020 964 HH21 ARG 113 HH21 ARG 113 24.741 -22.181 19.738 965 HH22 ARG 113 HH22 ARG 113 25.935 -22.649 20.896 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -15.997 10.134 24.756 2 H2 MET 1 H2 MET 1 -15.190 9.802 26.202 3 H3 MET 1 H3 MET 1 -16.795 10.318 26.240 4 HA MET 1 HA MET 1 -16.672 7.978 26.672 5 HB2 MET 1 HB2 MET 1 -17.824 8.613 23.921 6 HB3 MET 1 HB3 MET 1 -18.241 7.194 24.876 7 HG2 MET 1 HG2 MET 1 -19.222 8.623 26.611 8 HG3 MET 1 HG3 MET 1 -18.759 10.067 25.711 9 HE1 MET 1 HE1 MET 1 -21.144 9.959 22.621 10 HE2 MET 1 HE2 MET 1 -19.472 9.402 22.687 11 HE3 MET 1 HE3 MET 1 -19.938 10.894 23.505 12 H GLY 2 H GLY 2 -15.558 8.608 23.309 13 HA2 GLY 2 HA2 GLY 2 -13.594 7.917 22.297 14 HA3 GLY 2 HA3 GLY 2 -13.231 6.897 23.673 15 H SER 3 H SER 3 -13.100 6.385 20.733 16 HA SER 3 HA SER 3 -15.074 4.426 20.046 17 HB2 SER 3 HB2 SER 3 -13.577 3.864 18.144 18 HB3 SER 3 HB3 SER 3 -13.819 5.603 18.291 19 HG SER 3 HG SER 3 -11.608 4.584 19.642 20 H HIS 4 H HIS 4 -15.031 2.207 20.275 21 HA HIS 4 HA HIS 4 -13.567 1.249 22.554 22 HB2 HIS 4 HB2 HIS 4 -15.626 -0.057 20.748 23 HB3 HIS 4 HB3 HIS 4 -14.927 -0.872 22.146 24 HD1 HIS 4 HD1 HIS 4 -15.726 -0.144 24.468 25 HD2 HIS 4 HD2 HIS 4 -17.403 2.099 21.397 26 HE1 HIS 4 HE1 HIS 4 -17.530 1.224 25.542 27 HE2 HIS 4 HE2 HIS 4 -18.396 2.694 23.703 28 H GLN 5 H GLN 5 -12.586 -0.942 22.612 29 HA GLN 5 HA GLN 5 -10.245 -0.945 21.009 30 HB2 GLN 5 HB2 GLN 5 -11.295 -2.963 23.034 31 HB3 GLN 5 HB3 GLN 5 -9.740 -3.148 22.239 32 HG2 GLN 5 HG2 GLN 5 -9.118 -2.199 24.248 33 HG3 GLN 5 HG3 GLN 5 -9.220 -0.773 23.225 34 HE21 GLN 5 HE21 GLN 5 -9.341 -0.946 26.115 35 HE22 GLN 5 HE22 GLN 5 -10.860 -0.295 26.604 36 H GLU 6 H GLU 6 -13.167 -2.959 20.984 37 HA GLU 6 HA GLU 6 -12.288 -4.907 19.115 38 HB2 GLU 6 HB2 GLU 6 -15.086 -4.024 19.911 39 HB3 GLU 6 HB3 GLU 6 -14.766 -5.414 18.871 40 HG2 GLU 6 HG2 GLU 6 -13.494 -6.506 20.668 41 HG3 GLU 6 HG3 GLU 6 -13.719 -5.102 21.708 42 H TYR 7 H TYR 7 -13.849 -1.750 18.648 43 HA TYR 7 HA TYR 7 -14.273 -1.839 15.863 44 HB2 TYR 7 HB2 TYR 7 -15.161 -0.023 17.261 45 HB3 TYR 7 HB3 TYR 7 -13.534 0.519 17.651 46 HD1 TYR 7 HD1 TYR 7 -15.492 -0.197 14.489 47 HD2 TYR 7 HD2 TYR 7 -12.936 2.526 16.569 48 HE1 TYR 7 HE1 TYR 7 -15.594 1.356 12.586 49 HE2 TYR 7 HE2 TYR 7 -13.040 4.076 14.663 50 HH TYR 7 HH TYR 7 -13.503 4.040 12.269 51 H ILE 8 H ILE 8 -11.401 -0.892 17.732 52 HA ILE 8 HA ILE 8 -9.690 -0.153 15.594 53 HB ILE 8 HB ILE 8 -8.981 -1.178 18.384 54 HG12 ILE 8 HG12 ILE 8 -9.266 1.708 17.396 55 HG13 ILE 8 HG13 ILE 8 -10.476 0.852 18.345 56 HG21 ILE 8 HG21 ILE 8 -7.224 0.357 16.424 57 HG22 ILE 8 HG22 ILE 8 -7.016 -1.325 16.920 58 HG23 ILE 8 HG23 ILE 8 -6.798 -0.027 18.094 59 HD11 ILE 8 HD11 ILE 8 -7.697 1.585 19.260 60 HD12 ILE 8 HD12 ILE 8 -8.897 0.712 20.217 61 HD13 ILE 8 HD13 ILE 8 -9.205 2.375 19.718 62 H LYS 9 H LYS 9 -10.185 -3.258 17.267 63 HA LYS 9 HA LYS 9 -8.199 -4.825 16.007 64 HB2 LYS 9 HB2 LYS 9 -10.921 -5.673 17.105 65 HB3 LYS 9 HB3 LYS 9 -9.609 -6.776 16.709 66 HG2 LYS 9 HG2 LYS 9 -8.222 -5.872 18.492 67 HG3 LYS 9 HG3 LYS 9 -9.403 -4.604 18.815 68 HD2 LYS 9 HD2 LYS 9 -9.603 -6.324 20.529 69 HD3 LYS 9 HD3 LYS 9 -11.053 -6.343 19.525 70 HE2 LYS 9 HE2 LYS 9 -10.207 -8.312 18.315 71 HE3 LYS 9 HE3 LYS 9 -8.717 -8.269 19.260 72 HZ1 LYS 9 HZ1 LYS 9 -10.009 -8.702 21.254 73 HZ2 LYS 9 HZ2 LYS 9 -10.267 -9.913 20.107 74 HZ3 LYS 9 HZ3 LYS 9 -11.443 -8.727 20.355 75 H LYS 10 H LYS 10 -11.541 -4.076 15.061 76 HA LYS 10 HA LYS 10 -11.673 -5.754 12.764 77 HB2 LYS 10 HB2 LYS 10 -13.298 -3.307 13.550 78 HB3 LYS 10 HB3 LYS 10 -13.668 -4.313 12.150 79 HG2 LYS 10 HG2 LYS 10 -14.032 -6.257 13.619 80 HG3 LYS 10 HG3 LYS 10 -13.632 -5.278 15.032 81 HD2 LYS 10 HD2 LYS 10 -15.580 -3.807 14.532 82 HD3 LYS 10 HD3 LYS 10 -15.988 -4.838 13.159 83 HE2 LYS 10 HE2 LYS 10 -16.336 -6.739 14.712 84 HE3 LYS 10 HE3 LYS 10 -15.949 -5.685 16.074 85 HZ1 LYS 10 HZ1 LYS 10 -18.331 -5.921 15.768 86 HZ2 LYS 10 HZ2 LYS 10 -18.218 -5.314 14.194 87 HZ3 LYS 10 HZ3 LYS 10 -17.857 -4.317 15.515 88 H VAL 11 H VAL 11 -11.035 -2.224 13.084 89 HA VAL 11 HA VAL 11 -10.578 -1.566 10.407 90 HB VAL 11 HB VAL 11 -9.243 -0.352 12.880 91 HG11 VAL 11 HG11 VAL 11 -8.883 1.693 11.500 92 HG12 VAL 11 HG12 VAL 11 -9.453 0.819 10.074 93 HG13 VAL 11 HG13 VAL 11 -7.976 0.308 10.891 94 HG21 VAL 11 HG21 VAL 11 -11.707 -0.239 12.969 95 HG22 VAL 11 HG22 VAL 11 -11.749 0.537 11.387 96 HG23 VAL 11 HG23 VAL 11 -11.017 1.370 12.760 97 H THR 12 H THR 12 -8.342 -2.973 12.772 98 HA THR 12 HA THR 12 -5.990 -2.983 11.166 99 HB THR 12 HB THR 12 -6.708 -4.891 13.450 100 HG1 THR 12 HG1 THR 12 -6.490 -3.134 14.611 101 HG21 THR 12 HG21 THR 12 -4.272 -5.195 13.724 102 HG22 THR 12 HG22 THR 12 -3.964 -4.144 12.341 103 HG23 THR 12 HG23 THR 12 -4.764 -5.700 12.106 104 H ASP 13 H ASP 13 -8.715 -5.283 11.427 105 HA ASP 13 HA ASP 13 -7.542 -7.196 9.608 106 HB2 ASP 13 HB2 ASP 13 -10.351 -6.918 10.723 107 HB3 ASP 13 HB3 ASP 13 -9.918 -8.177 9.566 108 H GLU 14 H GLU 14 -9.659 -4.395 9.183 109 HA GLU 14 HA GLU 14 -10.337 -4.830 6.445 110 HB2 GLU 14 HB2 GLU 14 -10.080 -2.147 7.872 111 HB3 GLU 14 HB3 GLU 14 -11.007 -2.475 6.418 112 HG2 GLU 14 HG2 GLU 14 -11.588 -3.541 9.175 113 HG3 GLU 14 HG3 GLU 14 -12.455 -2.241 8.384 114 H LEU 15 H LEU 15 -7.564 -3.441 8.074 115 HA LEU 15 HA LEU 15 -6.018 -2.502 5.948 116 HB2 LEU 15 HB2 LEU 15 -5.370 -2.237 8.309 117 HB3 LEU 15 HB3 LEU 15 -5.169 -3.976 8.467 118 HG LEU 15 HG LEU 15 -3.380 -3.562 6.480 119 HD11 LEU 15 HD11 LEU 15 -3.287 -0.927 7.955 120 HD12 LEU 15 HD12 LEU 15 -3.746 -1.168 6.268 121 HD13 LEU 15 HD13 LEU 15 -2.099 -1.515 6.789 122 HD21 LEU 15 HD21 LEU 15 -2.925 -4.701 8.577 123 HD22 LEU 15 HD22 LEU 15 -2.780 -3.145 9.418 124 HD23 LEU 15 HD23 LEU 15 -1.614 -3.587 8.167 125 H LYS 16 H LYS 16 -6.386 -5.867 7.189 126 HA LYS 16 HA LYS 16 -4.287 -7.016 5.668 127 HB2 LYS 16 HB2 LYS 16 -6.710 -8.683 6.403 128 HB3 LYS 16 HB3 LYS 16 -5.023 -9.150 6.315 129 HG2 LYS 16 HG2 LYS 16 -6.333 -7.544 8.496 130 HG3 LYS 16 HG3 LYS 16 -5.812 -9.219 8.574 131 HD2 LYS 16 HD2 LYS 16 -3.431 -8.290 8.109 132 HD3 LYS 16 HD3 LYS 16 -4.116 -6.717 8.533 133 HE2 LYS 16 HE2 LYS 16 -3.846 -9.175 10.285 134 HE3 LYS 16 HE3 LYS 16 -3.169 -7.574 10.540 135 HZ1 LYS 16 HZ1 LYS 16 -6.051 -8.263 10.688 136 HZ2 LYS 16 HZ2 LYS 16 -5.381 -6.735 10.944 137 HZ3 LYS 16 HZ3 LYS 16 -5.026 -7.997 12.005 138 H GLU 17 H GLU 17 -7.787 -6.833 5.084 139 HA GLU 17 HA GLU 17 -8.020 -8.051 2.581 140 HB2 GLU 17 HB2 GLU 17 -9.543 -5.673 3.707 141 HB3 GLU 17 HB3 GLU 17 -10.040 -6.570 2.277 142 HG2 GLU 17 HG2 GLU 17 -9.845 -7.683 5.090 143 HG3 GLU 17 HG3 GLU 17 -11.328 -7.211 4.263 144 H LEU 18 H LEU 18 -7.084 -4.808 3.429 145 HA LEU 18 HA LEU 18 -7.114 -3.711 0.826 146 HB2 LEU 18 HB2 LEU 18 -7.179 -2.641 3.247 147 HB3 LEU 18 HB3 LEU 18 -5.433 -2.619 3.086 148 HG LEU 18 HG LEU 18 -5.525 -1.075 1.232 149 HD11 LEU 18 HD11 LEU 18 -8.537 -1.483 1.220 150 HD12 LEU 18 HD12 LEU 18 -7.393 -2.041 -0.002 151 HD13 LEU 18 HD13 LEU 18 -7.653 -0.312 0.227 152 HD21 LEU 18 HD21 LEU 18 -6.654 0.860 2.230 153 HD22 LEU 18 HD22 LEU 18 -5.822 -0.065 3.474 154 HD23 LEU 18 HD23 LEU 18 -7.574 -0.196 3.305 155 H ILE 19 H ILE 19 -4.465 -4.976 2.859 156 HA ILE 19 HA ILE 19 -2.277 -4.643 1.105 157 HB ILE 19 HB ILE 19 -2.739 -6.884 3.150 158 HG12 ILE 19 HG12 ILE 19 -1.209 -4.266 3.569 159 HG13 ILE 19 HG13 ILE 19 -2.865 -4.532 4.097 160 HG21 ILE 19 HG21 ILE 19 -0.267 -7.127 3.224 161 HG22 ILE 19 HG22 ILE 19 -0.108 -5.938 1.930 162 HG23 ILE 19 HG23 ILE 19 -0.905 -7.482 1.619 163 HD11 ILE 19 HD11 ILE 19 -0.445 -6.054 5.070 164 HD12 ILE 19 HD12 ILE 19 -2.112 -6.310 5.605 165 HD13 ILE 19 HD13 ILE 19 -1.302 -4.778 5.933 166 H GLN 20 H GLN 20 -4.585 -7.318 1.500 167 HA GLN 20 HA GLN 20 -3.562 -9.187 -0.333 168 HB2 GLN 20 HB2 GLN 20 -5.268 -9.709 1.381 169 HB3 GLN 20 HB3 GLN 20 -6.435 -8.683 0.557 170 HG2 GLN 20 HG2 GLN 20 -6.422 -10.225 -1.380 171 HG3 GLN 20 HG3 GLN 20 -5.258 -11.256 -0.549 172 HE21 GLN 20 HE21 GLN 20 -8.588 -10.201 -0.647 173 HE22 GLN 20 HE22 GLN 20 -9.208 -11.418 0.404 174 H ASN 21 H ASN 21 -6.027 -6.627 -0.832 175 HA ASN 21 HA ASN 21 -6.521 -7.143 -3.568 176 HB2 ASN 21 HB2 ASN 21 -6.945 -4.659 -1.874 177 HB3 ASN 21 HB3 ASN 21 -7.339 -4.675 -3.593 178 HD21 ASN 21 HD21 ASN 21 -8.839 -6.396 -4.304 179 HD22 ASN 21 HD22 ASN 21 -10.135 -6.824 -3.245 180 H VAL 22 H VAL 22 -4.400 -4.691 -2.048 181 HA VAL 22 HA VAL 22 -3.424 -3.483 -4.361 182 HB VAL 22 HB VAL 22 -2.164 -3.752 -1.600 183 HG11 VAL 22 HG11 VAL 22 -0.326 -3.349 -3.171 184 HG12 VAL 22 HG12 VAL 22 -0.617 -1.916 -2.191 185 HG13 VAL 22 HG13 VAL 22 -1.184 -1.974 -3.867 186 HG21 VAL 22 HG21 VAL 22 -4.241 -2.460 -1.680 187 HG22 VAL 22 HG22 VAL 22 -3.594 -1.444 -2.970 188 HG23 VAL 22 HG23 VAL 22 -2.876 -1.388 -1.359 189 H ASN 23 H ASN 23 -1.912 -6.173 -2.514 190 HA ASN 23 HA ASN 23 0.313 -6.687 -4.105 191 HB2 ASN 23 HB2 ASN 23 -1.459 -8.572 -2.503 192 HB3 ASN 23 HB3 ASN 23 0.016 -9.123 -3.287 193 HD21 ASN 23 HD21 ASN 23 -0.707 -8.968 -0.436 194 HD22 ASN 23 HD22 ASN 23 0.560 -8.060 0.301 195 H ASP 24 H ASP 24 -2.990 -8.012 -4.492 196 HA ASP 24 HA ASP 24 -2.504 -9.632 -6.770 197 HB2 ASP 24 HB2 ASP 24 -4.481 -9.790 -5.198 198 HB3 ASP 24 HB3 ASP 24 -5.130 -8.324 -5.919 199 H ASP 25 H ASP 25 -3.539 -6.256 -6.431 200 HA ASP 25 HA ASP 25 -4.065 -5.669 -9.150 201 HB2 ASP 25 HB2 ASP 25 -3.389 -3.905 -6.767 202 HB3 ASP 25 HB3 ASP 25 -3.692 -3.225 -8.360 203 H ILE 26 H ILE 26 -1.112 -5.306 -7.192 204 HA ILE 26 HA ILE 26 0.507 -4.034 -9.146 205 HB ILE 26 HB ILE 26 1.369 -5.753 -6.772 206 HG12 ILE 26 HG12 ILE 26 1.227 -2.696 -6.891 207 HG13 ILE 26 HG13 ILE 26 -0.054 -3.695 -6.217 208 HG21 ILE 26 HG21 ILE 26 3.532 -4.561 -6.909 209 HG22 ILE 26 HG22 ILE 26 2.988 -3.730 -8.368 210 HG23 ILE 26 HG23 ILE 26 3.205 -5.481 -8.376 211 HD11 ILE 26 HD11 ILE 26 1.480 -4.547 -4.521 212 HD12 ILE 26 HD12 ILE 26 1.380 -2.788 -4.485 213 HD13 ILE 26 HD13 ILE 26 2.785 -3.571 -5.204 214 H LYS 27 H LYS 27 -0.089 -7.452 -8.382 215 HA LYS 27 HA LYS 27 1.741 -8.695 -10.142 216 HB2 LYS 27 HB2 LYS 27 -1.002 -9.596 -9.186 217 HB3 LYS 27 HB3 LYS 27 0.104 -10.633 -10.079 218 HG2 LYS 27 HG2 LYS 27 1.709 -10.591 -8.261 219 HG3 LYS 27 HG3 LYS 27 0.760 -9.377 -7.401 220 HD2 LYS 27 HD2 LYS 27 0.329 -11.488 -6.334 221 HD3 LYS 27 HD3 LYS 27 -1.124 -11.061 -7.231 222 HE2 LYS 27 HE2 LYS 27 0.990 -13.011 -8.215 223 HE3 LYS 27 HE3 LYS 27 -0.484 -13.491 -7.383 224 HZ1 LYS 27 HZ1 LYS 27 -1.742 -12.447 -9.228 225 HZ2 LYS 27 HZ2 LYS 27 -0.791 -13.755 -9.715 226 HZ3 LYS 27 HZ3 LYS 27 -0.285 -12.177 -10.043 227 H GLU 28 H GLU 28 -1.532 -7.442 -10.694 228 HA GLU 28 HA GLU 28 -1.699 -8.194 -13.457 229 HB2 GLU 28 HB2 GLU 28 -3.289 -6.118 -11.901 230 HB3 GLU 28 HB3 GLU 28 -3.677 -6.669 -13.528 231 HG2 GLU 28 HG2 GLU 28 -3.717 -8.328 -10.990 232 HG3 GLU 28 HG3 GLU 28 -5.114 -7.765 -11.903 233 H VAL 29 H VAL 29 -0.314 -5.414 -11.792 234 HA VAL 29 HA VAL 29 0.204 -3.911 -14.203 235 HB VAL 29 HB VAL 29 1.719 -3.714 -11.554 236 HG11 VAL 29 HG11 VAL 29 2.344 -1.458 -12.354 237 HG12 VAL 29 HG12 VAL 29 1.516 -1.762 -13.880 238 HG13 VAL 29 HG13 VAL 29 2.932 -2.715 -13.433 239 HG21 VAL 29 HG21 VAL 29 -0.697 -2.108 -12.484 240 HG22 VAL 29 HG22 VAL 29 0.278 -1.751 -11.051 241 HG23 VAL 29 HG23 VAL 29 -0.649 -3.253 -11.139 242 H GLU 30 H GLU 30 1.929 -6.541 -12.508 243 HA GLU 30 HA GLU 30 4.442 -6.323 -13.769 244 HB2 GLU 30 HB2 GLU 30 3.017 -8.821 -12.790 245 HB3 GLU 30 HB3 GLU 30 4.696 -8.794 -13.318 246 HG2 GLU 30 HG2 GLU 30 5.179 -7.123 -11.508 247 HG3 GLU 30 HG3 GLU 30 3.524 -7.327 -10.940 248 H LYS 31 H LYS 31 1.432 -7.673 -15.005 249 HA LYS 31 HA LYS 31 2.667 -8.554 -17.520 250 HB2 LYS 31 HB2 LYS 31 0.427 -9.386 -18.112 251 HB3 LYS 31 HB3 LYS 31 0.893 -9.947 -16.513 252 HG2 LYS 31 HG2 LYS 31 -0.511 -8.082 -15.543 253 HG3 LYS 31 HG3 LYS 31 -1.075 -7.745 -17.178 254 HD2 LYS 31 HD2 LYS 31 -2.732 -9.102 -16.046 255 HD3 LYS 31 HD3 LYS 31 -1.981 -10.076 -17.311 256 HE2 LYS 31 HE2 LYS 31 -0.618 -11.238 -15.658 257 HE3 LYS 31 HE3 LYS 31 -1.209 -10.183 -14.374 258 HZ1 LYS 31 HZ1 LYS 31 -2.909 -12.040 -15.951 259 HZ2 LYS 31 HZ2 LYS 31 -3.397 -11.099 -14.629 260 HZ3 LYS 31 HZ3 LYS 31 -2.294 -12.361 -14.410 261 H ASN 32 H ASN 32 0.886 -5.785 -16.273 262 HA ASN 32 HA ASN 32 0.979 -4.419 -18.924 263 HB2 ASN 32 HB2 ASN 32 -1.277 -4.259 -16.866 264 HB3 ASN 32 HB3 ASN 32 -1.188 -3.295 -18.335 265 HD21 ASN 32 HD21 ASN 32 -3.055 -5.474 -17.267 266 HD22 ASN 32 HD22 ASN 32 -3.239 -6.542 -18.607 267 HA PRO 33 HA PRO 33 3.464 -2.411 -15.426 268 HB2 PRO 33 HB2 PRO 33 5.176 -1.496 -17.723 269 HB3 PRO 33 HB3 PRO 33 5.652 -2.245 -16.191 270 HG2 PRO 33 HG2 PRO 33 5.688 -3.693 -18.422 271 HG3 PRO 33 HG3 PRO 33 5.052 -4.410 -16.921 272 HD2 PRO 33 HD2 PRO 33 3.519 -3.223 -19.248 273 HD3 PRO 33 HD3 PRO 33 3.249 -4.764 -18.402 274 H GLU 34 H GLU 34 2.986 -0.636 -18.510 275 HA GLU 34 HA GLU 34 3.230 1.951 -17.191 276 HB2 GLU 34 HB2 GLU 34 4.173 1.234 -19.501 277 HB3 GLU 34 HB3 GLU 34 2.534 1.436 -20.099 278 HG2 GLU 34 HG2 GLU 34 2.845 3.839 -18.913 279 HG3 GLU 34 HG3 GLU 34 4.531 3.498 -19.239 280 H ASP 35 H ASP 35 0.662 -0.042 -17.099 281 HA ASP 35 HA ASP 35 -1.467 1.604 -18.112 282 HB2 ASP 35 HB2 ASP 35 -1.497 -0.974 -17.669 283 HB3 ASP 35 HB3 ASP 35 -1.865 -0.552 -16.001 284 H MET 36 H MET 36 -1.514 3.609 -17.281 285 HA MET 36 HA MET 36 -0.785 4.330 -14.616 286 HB2 MET 36 HB2 MET 36 -2.090 5.953 -16.828 287 HB3 MET 36 HB3 MET 36 -1.448 6.629 -15.344 288 HG2 MET 36 HG2 MET 36 0.237 5.100 -17.343 289 HG3 MET 36 HG3 MET 36 0.035 6.854 -17.360 290 HE1 MET 36 HE1 MET 36 2.694 4.449 -14.483 291 HE2 MET 36 HE2 MET 36 2.137 3.935 -16.075 292 HE3 MET 36 HE3 MET 36 1.020 3.943 -14.708 293 H GLU 37 H GLU 37 -3.862 3.805 -16.216 294 HA GLU 37 HA GLU 37 -5.562 4.872 -14.188 295 HB2 GLU 37 HB2 GLU 37 -6.256 4.465 -16.557 296 HB3 GLU 37 HB3 GLU 37 -6.180 2.731 -16.261 297 HG2 GLU 37 HG2 GLU 37 -7.968 2.980 -14.537 298 HG3 GLU 37 HG3 GLU 37 -8.074 4.696 -14.926 299 H TYR 38 H TYR 38 -4.059 1.696 -14.676 300 HA TYR 38 HA TYR 38 -5.466 0.395 -12.526 301 HB2 TYR 38 HB2 TYR 38 -4.114 -0.628 -14.627 302 HB3 TYR 38 HB3 TYR 38 -2.806 -0.694 -13.451 303 HD1 TYR 38 HD2 TYR 38 -3.031 -2.138 -11.421 304 HD2 TYR 38 HD1 TYR 38 -6.074 -2.080 -14.420 305 HE1 TYR 38 HE2 TYR 38 -4.024 -4.156 -10.481 306 HE2 TYR 38 HE1 TYR 38 -7.072 -4.105 -13.448 307 HH TYR 38 HH TYR 38 -6.149 -5.301 -10.381 308 H TRP 39 H TRP 39 -2.272 1.976 -12.806 309 HA TRP 39 HA TRP 39 -1.459 1.639 -10.107 310 HB2 TRP 39 HB2 TRP 39 -0.668 3.558 -12.303 311 HB3 TRP 39 HB3 TRP 39 -0.120 3.879 -10.668 312 HD1 TRP 39 HD1 TRP 39 1.065 2.219 -13.677 313 HE1 TRP 39 HE1 TRP 39 2.969 0.582 -13.157 314 HE3 TRP 39 HE3 TRP 39 0.485 1.829 -8.589 315 HZ2 TRP 39 HZ2 TRP 39 4.071 -0.726 -10.919 316 HZ3 TRP 39 HZ3 TRP 39 2.010 0.346 -7.341 317 HH2 TRP 39 HH2 TRP 39 3.772 -0.911 -8.492 318 H ASN 40 H ASN 40 -3.613 3.989 -11.636 319 HA ASN 40 HA ASN 40 -4.015 5.828 -9.561 320 HB2 ASN 40 HB2 ASN 40 -4.864 6.418 -11.663 321 HB3 ASN 40 HB3 ASN 40 -5.544 4.837 -11.960 322 HD21 ASN 40 HD21 ASN 40 -7.490 5.506 -12.577 323 HD22 ASN 40 HD22 ASN 40 -8.614 6.289 -11.548 324 H LYS 41 H LYS 41 -5.633 2.721 -10.250 325 HA LYS 41 HA LYS 41 -7.468 2.600 -8.135 326 HB2 LYS 41 HB2 LYS 41 -5.923 0.375 -9.529 327 HB3 LYS 41 HB3 LYS 41 -7.242 0.073 -8.409 328 HG2 LYS 41 HG2 LYS 41 -7.470 1.604 -11.013 329 HG3 LYS 41 HG3 LYS 41 -7.928 -0.087 -10.776 330 HD2 LYS 41 HD2 LYS 41 -9.368 1.186 -8.755 331 HD3 LYS 41 HD3 LYS 41 -9.387 2.402 -10.029 332 HE2 LYS 41 HE2 LYS 41 -11.367 0.970 -10.176 333 HE3 LYS 41 HE3 LYS 41 -10.338 0.720 -11.592 334 HZ1 LYS 41 HZ1 LYS 41 -9.506 -1.297 -10.644 335 HZ2 LYS 41 HZ2 LYS 41 -11.194 -1.361 -10.595 336 HZ3 LYS 41 HZ3 LYS 41 -10.320 -1.025 -9.187 337 H ILE 42 H ILE 42 -4.163 1.250 -8.262 338 HA ILE 42 HA ILE 42 -3.954 0.256 -5.643 339 HB ILE 42 HB ILE 42 -1.733 1.288 -7.476 340 HG12 ILE 42 HG12 ILE 42 -2.832 -1.547 -7.138 341 HG13 ILE 42 HG13 ILE 42 -3.179 -0.485 -8.497 342 HG21 ILE 42 HG21 ILE 42 -1.484 -0.611 -5.101 343 HG22 ILE 42 HG22 ILE 42 -0.895 1.050 -5.161 344 HG23 ILE 42 HG23 ILE 42 -0.183 -0.172 -6.212 345 HD11 ILE 42 HD11 ILE 42 -0.828 -0.560 -9.153 346 HD12 ILE 42 HD12 ILE 42 -1.539 -2.171 -9.064 347 HD13 ILE 42 HD13 ILE 42 -0.474 -1.608 -7.777 348 H TYR 43 H TYR 43 -3.239 3.453 -6.945 349 HA TYR 43 HA TYR 43 -1.894 4.645 -4.782 350 HB2 TYR 43 HB2 TYR 43 -2.260 5.403 -7.281 351 HB3 TYR 43 HB3 TYR 43 -3.706 6.191 -6.674 352 HD1 TYR 43 HD1 TYR 43 -2.431 7.162 -3.962 353 HD2 TYR 43 HD2 TYR 43 -1.103 7.357 -8.026 354 HE1 TYR 43 HE1 TYR 43 -1.083 9.143 -3.437 355 HE2 TYR 43 HE2 TYR 43 0.231 9.343 -7.484 356 HH TYR 43 HH TYR 43 0.393 11.077 -5.885 357 H ARG 44 H ARG 44 -5.366 4.577 -5.614 358 HA ARG 44 HA ARG 44 -6.374 6.169 -3.490 359 HB2 ARG 44 HB2 ARG 44 -7.720 4.002 -5.143 360 HB3 ARG 44 HB3 ARG 44 -8.583 5.091 -4.062 361 HG2 ARG 44 HG2 ARG 44 -7.895 7.017 -5.434 362 HG3 ARG 44 HG3 ARG 44 -6.991 5.944 -6.504 363 HD2 ARG 44 HD2 ARG 44 -9.103 4.803 -7.130 364 HD3 ARG 44 HD3 ARG 44 -10.001 5.900 -6.069 365 HE ARG 44 HE ARG 44 -8.371 7.111 -8.165 366 HH11 ARG 44 HH11 ARG 44 -11.578 6.198 -7.212 367 HH12 ARG 44 HH12 ARG 44 -12.318 7.189 -8.418 368 HH21 ARG 44 HH21 ARG 44 -9.350 8.363 -9.682 369 HH22 ARG 44 HH22 ARG 44 -11.075 8.395 -9.792 370 H LEU 45 H LEU 45 -5.564 2.763 -3.663 371 HA LEU 45 HA LEU 45 -6.862 1.960 -1.211 372 HB2 LEU 45 HB2 LEU 45 -4.671 0.569 -2.791 373 HB3 LEU 45 HB3 LEU 45 -5.681 -0.169 -1.555 374 HG LEU 45 HG LEU 45 -6.738 0.913 -4.200 375 HD11 LEU 45 HD11 LEU 45 -6.968 -1.419 -4.927 376 HD12 LEU 45 HD12 LEU 45 -6.191 -1.973 -3.443 377 HD13 LEU 45 HD13 LEU 45 -5.282 -1.013 -4.613 378 HD21 LEU 45 HD21 LEU 45 -8.814 -0.270 -3.645 379 HD22 LEU 45 HD22 LEU 45 -8.431 0.926 -2.410 380 HD23 LEU 45 HD23 LEU 45 -8.129 -0.786 -2.100 381 H VAL 46 H VAL 46 -3.493 2.742 -2.144 382 HA VAL 46 HA VAL 46 -2.306 2.379 0.425 383 HB VAL 46 HB VAL 46 -1.318 4.106 -1.901 384 HG11 VAL 46 HG11 VAL 46 -0.194 4.764 0.188 385 HG12 VAL 46 HG12 VAL 46 0.939 3.916 -0.861 386 HG13 VAL 46 HG13 VAL 46 0.225 3.082 0.524 387 HG21 VAL 46 HG21 VAL 46 -0.600 1.235 -1.166 388 HG22 VAL 46 HG22 VAL 46 0.124 2.175 -2.475 389 HG23 VAL 46 HG23 VAL 46 -1.583 1.739 -2.544 390 H HIS 47 H HIS 47 -3.870 5.156 -1.138 391 HA HIS 47 HA HIS 47 -3.518 7.207 0.708 392 HB2 HIS 47 HB2 HIS 47 -5.724 6.452 -1.179 393 HB3 HIS 47 HB3 HIS 47 -6.197 7.537 0.108 394 HD1 HIS 47 HD1 HIS 47 -4.530 7.488 -3.165 395 HD2 HIS 47 HD2 HIS 47 -4.883 10.098 0.048 396 HE1 HIS 47 HE1 HIS 47 -3.911 9.746 -4.049 397 HE2 HIS 47 HE2 HIS 47 -4.091 11.298 -2.092 398 H THR 48 H THR 48 -5.806 4.483 0.862 399 HA THR 48 HA THR 48 -7.074 5.348 3.287 400 HB THR 48 HB THR 48 -7.220 2.633 1.913 401 HG1 THR 48 HG1 THR 48 -8.691 5.046 1.637 402 HG21 THR 48 HG21 THR 48 -9.074 3.874 3.998 403 HG22 THR 48 HG22 THR 48 -8.010 2.487 4.256 404 HG23 THR 48 HG23 THR 48 -9.369 2.363 3.138 405 H MET 49 H MET 49 -4.479 2.968 2.565 406 HA MET 49 HA MET 49 -4.210 1.872 5.176 407 HB2 MET 49 HB2 MET 49 -1.905 2.307 3.217 408 HB3 MET 49 HB3 MET 49 -1.972 1.160 4.546 409 HG2 MET 49 HG2 MET 49 -3.753 -0.066 3.406 410 HG3 MET 49 HG3 MET 49 -3.644 1.060 2.051 411 HE1 MET 49 HE1 MET 49 -3.440 -1.171 0.645 412 HE2 MET 49 HE2 MET 49 -3.282 -2.215 2.063 413 HE3 MET 49 HE3 MET 49 -2.084 -2.295 0.772 414 H LYS 50 H LYS 50 -2.285 4.432 3.600 415 HA LYS 50 HA LYS 50 -0.839 5.522 5.611 416 HB2 LYS 50 HB2 LYS 50 -0.851 6.193 3.202 417 HB3 LYS 50 HB3 LYS 50 -2.339 7.083 3.463 418 HG2 LYS 50 HG2 LYS 50 -1.198 8.627 4.978 419 HG3 LYS 50 HG3 LYS 50 0.298 7.698 4.838 420 HD2 LYS 50 HD2 LYS 50 0.391 8.234 2.405 421 HD3 LYS 50 HD3 LYS 50 -1.099 9.166 2.561 422 HE2 LYS 50 HE2 LYS 50 1.546 9.788 3.909 423 HE3 LYS 50 HE3 LYS 50 0.857 10.642 2.529 424 HZ1 LYS 50 HZ1 LYS 50 -1.029 11.264 3.965 425 HZ2 LYS 50 HZ2 LYS 50 0.443 11.882 4.505 426 HZ3 LYS 50 HZ3 LYS 50 -0.249 10.553 5.288 427 H GLU 51 H GLU 51 -4.243 6.324 4.858 428 HA GLU 51 HA GLU 51 -4.710 8.178 6.908 429 HB2 GLU 51 HB2 GLU 51 -6.178 7.867 4.940 430 HB3 GLU 51 HB3 GLU 51 -6.652 6.277 5.528 431 HG2 GLU 51 HG2 GLU 51 -7.680 7.329 7.508 432 HG3 GLU 51 HG3 GLU 51 -7.234 8.918 6.894 433 H ILE 52 H ILE 52 -5.127 4.616 6.877 434 HA ILE 52 HA ILE 52 -6.295 4.266 9.425 435 HB ILE 52 HB ILE 52 -4.626 2.353 7.718 436 HG12 ILE 52 HG12 ILE 52 -7.634 2.377 8.294 437 HG13 ILE 52 HG13 ILE 52 -6.889 3.017 6.835 438 HG21 ILE 52 HG21 ILE 52 -4.357 1.609 10.047 439 HG22 ILE 52 HG22 ILE 52 -5.369 0.473 9.159 440 HG23 ILE 52 HG23 ILE 52 -6.107 1.621 10.279 441 HD11 ILE 52 HD11 ILE 52 -6.110 0.754 6.257 442 HD12 ILE 52 HD12 ILE 52 -7.862 0.846 6.427 443 HD13 ILE 52 HD13 ILE 52 -6.894 0.127 7.712 444 H THR 53 H THR 53 -2.830 4.149 8.456 445 HA THR 53 HA THR 53 -1.867 3.593 11.087 446 HB THR 53 HB THR 53 -0.464 2.913 9.254 447 HG1 THR 53 HG1 THR 53 0.942 5.057 10.390 448 HG21 THR 53 HG21 THR 53 0.750 4.484 7.808 449 HG22 THR 53 HG22 THR 53 -0.145 5.829 8.517 450 HG23 THR 53 HG23 THR 53 -0.993 4.613 7.559 451 H GLU 54 H GLU 54 -2.387 6.653 9.321 452 HA GLU 54 HA GLU 54 -0.967 8.309 11.182 453 HB2 GLU 54 HB2 GLU 54 -2.988 8.993 9.027 454 HB3 GLU 54 HB3 GLU 54 -2.267 10.224 10.060 455 HG2 GLU 54 HG2 GLU 54 -0.016 9.553 9.249 456 HG3 GLU 54 HG3 GLU 54 -0.763 8.362 8.190 457 H THR 55 H THR 55 -4.401 7.316 10.997 458 HA THR 55 HA THR 55 -5.217 8.984 13.212 459 HB THR 55 HB THR 55 -6.903 8.226 11.575 460 HG1 THR 55 HG1 THR 55 -8.356 7.268 13.396 461 HG21 THR 55 HG21 THR 55 -6.142 5.919 11.144 462 HG22 THR 55 HG22 THR 55 -7.834 5.948 11.641 463 HG23 THR 55 HG23 THR 55 -6.587 5.456 12.789 464 H MET 56 H MET 56 -3.717 5.849 12.967 465 HA MET 56 HA MET 56 -3.987 5.213 15.806 466 HB2 MET 56 HB2 MET 56 -2.381 3.901 13.567 467 HB3 MET 56 HB3 MET 56 -2.416 3.305 15.222 468 HG2 MET 56 HG2 MET 56 -4.853 2.938 15.042 469 HG3 MET 56 HG3 MET 56 -4.815 3.526 13.380 470 HE1 MET 56 HE1 MET 56 -5.993 0.609 14.383 471 HE2 MET 56 HE2 MET 56 -5.439 -0.371 13.027 472 HE3 MET 56 HE3 MET 56 -6.108 1.231 12.730 473 H GLY 57 H GLY 57 -1.919 7.195 13.928 474 HA2 GLY 57 HA2 GLY 57 -0.449 8.791 14.779 475 HA3 GLY 57 HA3 GLY 57 -0.404 7.939 16.309 476 H PHE 58 H PHE 58 0.250 6.110 13.431 477 HA PHE 58 HA PHE 58 3.101 5.870 14.124 478 HB2 PHE 58 HB2 PHE 58 1.272 4.243 12.335 479 HB3 PHE 58 HB3 PHE 58 2.986 3.933 12.453 480 HD1 PHE 58 HD2 PHE 58 3.922 3.282 14.789 481 HD2 PHE 58 HD1 PHE 58 -0.251 3.265 13.851 482 HE1 PHE 58 HE2 PHE 58 3.491 1.781 16.694 483 HE2 PHE 58 HE1 PHE 58 -0.674 1.765 15.750 484 HZ PHE 58 HZ PHE 58 1.196 1.021 17.177 485 H SER 59 H SER 59 3.842 7.870 13.275 486 HA SER 59 HA SER 59 3.452 8.707 10.561 487 HB2 SER 59 HB2 SER 59 5.571 9.563 12.574 488 HB3 SER 59 HB3 SER 59 5.220 10.386 11.053 489 HG SER 59 HG SER 59 4.170 11.317 12.907 490 H SER 60 H SER 60 5.719 6.579 12.122 491 HA SER 60 HA SER 60 7.749 6.457 10.137 492 HB2 SER 60 HB2 SER 60 6.927 4.356 12.189 493 HB3 SER 60 HB3 SER 60 8.446 4.360 11.284 494 HG SER 60 HG SER 60 8.760 5.276 13.326 495 H VAL 61 H VAL 61 4.833 4.435 10.695 496 HA VAL 61 HA VAL 61 5.216 2.725 8.420 497 HB VAL 61 HB VAL 61 2.575 3.313 9.832 498 HG11 VAL 61 HG11 VAL 61 3.414 0.891 8.193 499 HG12 VAL 61 HG12 VAL 61 2.276 2.144 7.697 500 HG13 VAL 61 HG13 VAL 61 1.876 1.077 9.041 501 HG21 VAL 61 HG21 VAL 61 4.238 2.605 11.502 502 HG22 VAL 61 HG22 VAL 61 4.595 1.155 10.561 503 HG23 VAL 61 HG23 VAL 61 2.995 1.374 11.282 504 H ALA 62 H ALA 62 3.332 5.703 9.000 505 HA ALA 62 HA ALA 62 2.111 6.024 6.486 506 HB1 ALA 62 HB1 ALA 62 1.502 7.421 8.403 507 HB2 ALA 62 HB2 ALA 62 1.960 8.428 7.022 508 HB3 ALA 62 HB3 ALA 62 3.088 8.202 8.364 509 H LYS 63 H LYS 63 5.385 6.780 7.567 510 HA LYS 63 HA LYS 63 6.288 8.239 5.297 511 HB2 LYS 63 HB2 LYS 63 7.458 8.331 7.450 512 HB3 LYS 63 HB3 LYS 63 7.831 6.615 7.356 513 HG2 LYS 63 HG2 LYS 63 9.236 7.086 5.323 514 HG3 LYS 63 HG3 LYS 63 8.932 8.809 5.561 515 HD2 LYS 63 HD2 LYS 63 10.042 8.730 7.749 516 HD3 LYS 63 HD3 LYS 63 10.266 6.986 7.596 517 HE2 LYS 63 HE2 LYS 63 11.723 7.387 5.608 518 HE3 LYS 63 HE3 LYS 63 11.548 9.125 5.864 519 HZ1 LYS 63 HZ1 LYS 63 12.686 7.242 7.859 520 HZ2 LYS 63 HZ2 LYS 63 12.634 8.929 7.971 521 HZ3 LYS 63 HZ3 LYS 63 13.606 8.190 6.802 522 H VAL 64 H VAL 64 6.467 4.758 6.146 523 HA VAL 64 HA VAL 64 7.814 3.797 3.860 524 HB VAL 64 HB VAL 64 5.620 2.350 5.435 525 HG11 VAL 64 HG11 VAL 64 6.083 1.245 3.260 526 HG12 VAL 64 HG12 VAL 64 6.612 0.248 4.615 527 HG13 VAL 64 HG13 VAL 64 7.799 1.147 3.669 528 HG21 VAL 64 HG21 VAL 64 7.444 1.326 6.746 529 HG22 VAL 64 HG22 VAL 64 7.452 3.081 6.913 530 HG23 VAL 64 HG23 VAL 64 8.636 2.293 5.869 531 H LEU 65 H LEU 65 4.349 4.360 4.429 532 HA LEU 65 HA LEU 65 3.502 3.562 1.802 533 HB2 LEU 65 HB2 LEU 65 2.012 5.204 3.880 534 HB3 LEU 65 HB3 LEU 65 1.295 4.427 2.470 535 HG LEU 65 HG LEU 65 2.502 3.057 4.871 536 HD11 LEU 65 HD11 LEU 65 0.324 2.085 5.223 537 HD12 LEU 65 HD12 LEU 65 -0.302 3.082 3.908 538 HD13 LEU 65 HD13 LEU 65 0.343 3.841 5.364 539 HD21 LEU 65 HD21 LEU 65 3.173 1.810 2.862 540 HD22 LEU 65 HD22 LEU 65 1.480 1.729 2.355 541 HD23 LEU 65 HD23 LEU 65 2.005 0.897 3.821 542 H HIS 66 H HIS 66 4.564 6.571 3.210 543 HA HIS 66 HA HIS 66 3.581 8.379 1.252 544 HB2 HIS 66 HB2 HIS 66 4.347 9.034 3.544 545 HB3 HIS 66 HB3 HIS 66 6.002 8.713 3.073 546 HD1 HIS 66 HD1 HIS 66 7.096 10.457 1.390 547 HD2 HIS 66 HD2 HIS 66 3.288 11.449 2.721 548 HE1 HIS 66 HE1 HIS 66 6.788 12.870 0.790 549 HE2 HIS 66 HE2 HIS 66 4.587 13.504 1.822 550 H THR 67 H THR 67 6.406 6.263 1.378 551 HA THR 67 HA THR 67 7.805 7.456 -0.862 552 HB THR 67 HB THR 67 9.237 5.510 -0.940 553 HG1 THR 67 HG1 THR 67 7.854 4.038 0.985 554 HG21 THR 67 HG21 THR 67 8.530 6.003 1.966 555 HG22 THR 67 HG22 THR 67 9.677 6.943 1.008 556 HG23 THR 67 HG23 THR 67 10.014 5.251 1.384 557 H ILE 68 H ILE 68 5.341 4.961 -0.441 558 HA ILE 68 HA ILE 68 5.355 3.903 -3.101 559 HB ILE 68 HB ILE 68 2.943 3.838 -1.231 560 HG12 ILE 68 HG12 ILE 68 4.730 3.104 0.202 561 HG13 ILE 68 HG13 ILE 68 3.886 1.654 -0.316 562 HG21 ILE 68 HG21 ILE 68 2.458 1.668 -2.316 563 HG22 ILE 68 HG22 ILE 68 3.882 1.859 -3.340 564 HG23 ILE 68 HG23 ILE 68 2.531 2.984 -3.490 565 HD11 ILE 68 HD11 ILE 68 6.265 1.319 -0.270 566 HD12 ILE 68 HD12 ILE 68 6.520 2.667 -1.377 567 HD13 ILE 68 HD13 ILE 68 5.678 1.212 -1.932 568 H MET 69 H MET 69 3.398 6.335 -1.428 569 HA MET 69 HA MET 69 1.565 7.097 -3.392 570 HB2 MET 69 HB2 MET 69 2.936 8.883 -1.319 571 HB3 MET 69 HB3 MET 69 1.441 9.266 -2.172 572 HG2 MET 69 HG2 MET 69 1.626 6.788 -0.485 573 HG3 MET 69 HG3 MET 69 1.341 8.355 0.256 574 HE1 MET 69 HE1 MET 69 -2.174 9.325 -0.840 575 HE2 MET 69 HE2 MET 69 -0.628 9.962 -1.402 576 HE3 MET 69 HE3 MET 69 -0.853 9.569 0.304 577 H ASN 70 H ASN 70 4.826 8.381 -2.732 578 HA ASN 70 HA ASN 70 4.963 10.242 -4.885 579 HB2 ASN 70 HB2 ASN 70 6.393 10.233 -2.775 580 HB3 ASN 70 HB3 ASN 70 7.300 8.882 -3.473 581 HD21 ASN 70 HD21 ASN 70 6.450 12.285 -3.932 582 HD22 ASN 70 HD22 ASN 70 7.812 12.681 -4.921 583 H LEU 71 H LEU 71 5.896 6.875 -4.546 584 HA LEU 71 HA LEU 71 7.549 6.532 -6.800 585 HB2 LEU 71 HB2 LEU 71 7.245 5.049 -4.731 586 HB3 LEU 71 HB3 LEU 71 5.790 4.422 -5.467 587 HG LEU 71 HG LEU 71 8.491 4.188 -6.817 588 HD11 LEU 71 HD11 LEU 71 8.724 3.162 -4.585 589 HD12 LEU 71 HD12 LEU 71 8.754 1.933 -5.844 590 HD13 LEU 71 HD13 LEU 71 7.295 2.166 -4.877 591 HD21 LEU 71 HD21 LEU 71 5.949 2.534 -7.090 592 HD22 LEU 71 HD22 LEU 71 7.461 2.243 -7.957 593 HD23 LEU 71 HD23 LEU 71 6.547 3.719 -8.255 594 H VAL 72 H VAL 72 4.111 5.782 -6.333 595 HA VAL 72 HA VAL 72 3.500 5.080 -9.020 596 HB VAL 72 HB VAL 72 1.595 5.994 -6.808 597 HG11 VAL 72 HG11 VAL 72 1.049 4.359 -9.312 598 HG12 VAL 72 HG12 VAL 72 0.561 6.034 -9.043 599 HG13 VAL 72 HG13 VAL 72 -0.132 4.747 -8.055 600 HG21 VAL 72 HG21 VAL 72 2.491 3.160 -7.500 601 HG22 VAL 72 HG22 VAL 72 1.283 3.596 -6.288 602 HG23 VAL 72 HG23 VAL 72 2.965 4.071 -6.064 603 H ASP 73 H ASP 73 3.129 8.103 -7.140 604 HA ASP 73 HA ASP 73 1.756 9.728 -8.961 605 HB2 ASP 73 HB2 ASP 73 2.304 10.244 -6.539 606 HB3 ASP 73 HB3 ASP 73 3.948 10.626 -7.029 607 H LYS 74 H LYS 74 5.195 9.010 -8.716 608 HA LYS 74 HA LYS 74 6.206 10.822 -10.667 609 HB2 LYS 74 HB2 LYS 74 7.493 9.676 -8.808 610 HB3 LYS 74 HB3 LYS 74 7.464 8.212 -9.788 611 HG2 LYS 74 HG2 LYS 74 8.678 9.381 -11.586 612 HG3 LYS 74 HG3 LYS 74 8.684 10.864 -10.631 613 HD2 LYS 74 HD2 LYS 74 10.027 8.262 -9.846 614 HD3 LYS 74 HD3 LYS 74 10.839 9.662 -10.535 615 HE2 LYS 74 HE2 LYS 74 10.167 11.002 -8.552 616 HE3 LYS 74 HE3 LYS 74 9.422 9.565 -7.848 617 HZ1 LYS 74 HZ1 LYS 74 11.633 9.944 -6.968 618 HZ2 LYS 74 HZ2 LYS 74 12.300 9.877 -8.518 619 HZ3 LYS 74 HZ3 LYS 74 11.591 8.498 -7.841 620 H MET 75 H MET 75 4.917 7.540 -10.874 621 HA MET 75 HA MET 75 5.742 6.921 -13.529 622 HB2 MET 75 HB2 MET 75 3.427 5.850 -11.877 623 HB3 MET 75 HB3 MET 75 3.922 5.171 -13.422 624 HG2 MET 75 HG2 MET 75 6.116 4.593 -12.468 625 HG3 MET 75 HG3 MET 75 5.609 5.262 -10.909 626 HE1 MET 75 HE1 MET 75 5.542 1.232 -10.579 627 HE2 MET 75 HE2 MET 75 6.417 2.683 -10.075 628 HE3 MET 75 HE3 MET 75 6.571 2.087 -11.730 629 H LEU 76 H LEU 76 2.914 8.610 -12.248 630 HA LEU 76 HA LEU 76 1.070 8.424 -14.297 631 HB2 LEU 76 HB2 LEU 76 1.515 10.304 -12.041 632 HB3 LEU 76 HB3 LEU 76 0.554 10.988 -13.335 633 HG LEU 76 HG LEU 76 -0.938 10.082 -11.657 634 HD11 LEU 76 HD11 LEU 76 -2.301 8.520 -12.941 635 HD12 LEU 76 HD12 LEU 76 -0.951 8.191 -14.028 636 HD13 LEU 76 HD13 LEU 76 -1.677 9.800 -13.979 637 HD21 LEU 76 HD21 LEU 76 0.567 8.506 -10.552 638 HD22 LEU 76 HD22 LEU 76 0.471 7.410 -11.932 639 HD23 LEU 76 HD23 LEU 76 -0.965 7.730 -10.954 640 H ASN 77 H ASN 77 3.940 10.484 -14.401 641 HA ASN 77 HA ASN 77 2.912 12.122 -16.610 642 HB2 ASN 77 HB2 ASN 77 5.196 13.190 -16.566 643 HB3 ASN 77 HB3 ASN 77 4.336 13.277 -15.038 644 HD21 ASN 77 HD21 ASN 77 5.407 12.557 -13.274 645 HD22 ASN 77 HD22 ASN 77 6.860 11.630 -13.312 646 H SER 78 H SER 78 4.422 12.447 -18.553 647 HA SER 78 HA SER 78 4.780 9.933 -19.951 648 HB2 SER 78 HB2 SER 78 3.825 11.872 -21.126 649 HB3 SER 78 HB3 SER 78 5.277 12.821 -20.814 650 HG SER 78 HG SER 78 6.319 11.767 -22.350 651 H GLU 79 H GLU 79 6.865 11.968 -18.081 652 HA GLU 79 HA GLU 79 9.259 11.511 -19.694 653 HB2 GLU 79 HB2 GLU 79 10.249 13.289 -18.538 654 HB3 GLU 79 HB3 GLU 79 8.541 13.733 -18.535 655 HG2 GLU 79 HG2 GLU 79 8.306 13.027 -16.225 656 HG3 GLU 79 HG3 GLU 79 9.974 12.457 -16.195 657 H ILE 80 H ILE 80 7.771 9.873 -17.133 658 HA ILE 80 HA ILE 80 10.297 8.518 -16.287 659 HB ILE 80 HB ILE 80 7.684 8.822 -14.737 660 HG12 ILE 80 HG12 ILE 80 9.148 10.932 -15.041 661 HG13 ILE 80 HG13 ILE 80 8.672 10.523 -13.414 662 HG21 ILE 80 HG21 ILE 80 8.908 7.869 -12.802 663 HG22 ILE 80 HG22 ILE 80 10.302 7.559 -13.841 664 HG23 ILE 80 HG23 ILE 80 8.775 6.726 -14.140 665 HD11 ILE 80 HD11 ILE 80 10.984 11.306 -13.569 666 HD12 ILE 80 HD12 ILE 80 11.376 9.965 -14.644 667 HD13 ILE 80 HD13 ILE 80 10.911 9.651 -12.968 668 H LYS 81 H LYS 81 10.458 6.413 -16.856 669 HA LYS 81 HA LYS 81 8.107 4.928 -17.840 670 HB2 LYS 81 HB2 LYS 81 11.084 4.360 -18.113 671 HB3 LYS 81 HB3 LYS 81 9.818 3.292 -18.723 672 HG2 LYS 81 HG2 LYS 81 9.008 5.057 -20.221 673 HG3 LYS 81 HG3 LYS 81 10.217 6.177 -19.585 674 HD2 LYS 81 HD2 LYS 81 12.018 4.680 -20.448 675 HD3 LYS 81 HD3 LYS 81 10.784 3.616 -21.129 676 HE2 LYS 81 HE2 LYS 81 10.008 5.425 -22.599 677 HE3 LYS 81 HE3 LYS 81 11.186 6.532 -21.889 678 HZ1 LYS 81 HZ1 LYS 81 12.955 5.102 -22.737 679 HZ2 LYS 81 HZ2 LYS 81 11.966 5.666 -23.985 680 HZ3 LYS 81 HZ3 LYS 81 11.806 4.075 -23.438 681 H ILE 82 H ILE 82 7.791 2.697 -17.210 682 HA ILE 82 HA ILE 82 8.035 2.449 -14.294 683 HB ILE 82 HB ILE 82 6.053 1.200 -16.275 684 HG12 ILE 82 HG12 ILE 82 4.354 2.494 -14.848 685 HG13 ILE 82 HG13 ILE 82 5.712 3.331 -14.110 686 HG21 ILE 82 HG21 ILE 82 4.875 0.250 -14.304 687 HG22 ILE 82 HG22 ILE 82 6.195 0.778 -13.257 688 HG23 ILE 82 HG23 ILE 82 6.486 -0.439 -14.501 689 HD11 ILE 82 HD11 ILE 82 6.300 4.277 -16.282 690 HD12 ILE 82 HD12 ILE 82 4.633 4.650 -15.840 691 HD13 ILE 82 HD13 ILE 82 4.967 3.392 -17.028 692 H THR 83 H THR 83 9.642 1.215 -13.613 693 HA THR 83 HA THR 83 10.918 -0.799 -15.215 694 HB THR 83 HB THR 83 11.373 -0.060 -12.294 695 HG1 THR 83 HG1 THR 83 12.878 0.719 -14.581 696 HG21 THR 83 HG21 THR 83 13.167 -1.681 -14.141 697 HG22 THR 83 HG22 THR 83 12.298 -2.302 -12.734 698 HG23 THR 83 HG23 THR 83 13.601 -1.130 -12.523 699 H SER 84 H SER 84 10.609 -3.012 -15.135 700 HA SER 84 HA SER 84 8.214 -4.090 -14.095 701 HB2 SER 84 HB2 SER 84 9.088 -6.283 -14.891 702 HB3 SER 84 HB3 SER 84 9.298 -5.008 -16.090 703 HG SER 84 HG SER 84 11.211 -6.355 -14.564 704 H ASP 85 H ASP 85 11.565 -4.478 -12.938 705 HA ASP 85 HA ASP 85 10.881 -6.245 -10.765 706 HB2 ASP 85 HB2 ASP 85 13.432 -4.655 -11.212 707 HB3 ASP 85 HB3 ASP 85 13.228 -6.014 -10.107 708 H LEU 86 H LEU 86 10.998 -2.787 -11.132 709 HA LEU 86 HA LEU 86 10.971 -2.120 -8.341 710 HB2 LEU 86 HB2 LEU 86 11.620 -0.443 -10.023 711 HB3 LEU 86 HB3 LEU 86 10.029 -0.537 -10.760 712 HG LEU 86 HG LEU 86 9.118 0.271 -8.463 713 HD11 LEU 86 HD11 LEU 86 10.633 1.622 -7.092 714 HD12 LEU 86 HD12 LEU 86 12.000 1.094 -8.077 715 HD13 LEU 86 HD13 LEU 86 11.095 -0.079 -7.120 716 HD21 LEU 86 HD21 LEU 86 9.438 2.644 -9.053 717 HD22 LEU 86 HD22 LEU 86 9.077 1.673 -10.477 718 HD23 LEU 86 HD23 LEU 86 10.734 2.200 -10.170 719 H ILE 87 H ILE 87 8.455 -2.751 -10.768 720 HA ILE 87 HA ILE 87 6.126 -2.325 -9.257 721 HB ILE 87 HB ILE 87 6.652 -4.562 -11.267 722 HG12 ILE 87 HG12 ILE 87 5.463 -1.803 -11.806 723 HG13 ILE 87 HG13 ILE 87 7.115 -2.272 -12.185 724 HG21 ILE 87 HG21 ILE 87 3.990 -3.383 -10.400 725 HG22 ILE 87 HG22 ILE 87 4.597 -4.990 -9.996 726 HG23 ILE 87 HG23 ILE 87 4.215 -4.590 -11.669 727 HD11 ILE 87 HD11 ILE 87 5.739 -2.337 -14.158 728 HD12 ILE 87 HD12 ILE 87 4.610 -3.445 -13.383 729 HD13 ILE 87 HD13 ILE 87 6.258 -3.970 -13.746 730 H ASP 88 H ASP 88 8.342 -5.118 -9.415 731 HA ASP 88 HA ASP 88 6.974 -6.842 -7.593 732 HB2 ASP 88 HB2 ASP 88 8.862 -7.391 -9.290 733 HB3 ASP 88 HB3 ASP 88 9.971 -6.779 -8.084 734 H LYS 89 H LYS 89 9.249 -4.185 -7.192 735 HA LYS 89 HA LYS 89 10.032 -4.642 -4.494 736 HB2 LYS 89 HB2 LYS 89 11.191 -3.140 -6.243 737 HB3 LYS 89 HB3 LYS 89 9.960 -1.941 -5.897 738 HG2 LYS 89 HG2 LYS 89 10.690 -1.834 -3.540 739 HG3 LYS 89 HG3 LYS 89 11.919 -3.060 -3.860 740 HD2 LYS 89 HD2 LYS 89 11.792 -0.261 -5.055 741 HD3 LYS 89 HD3 LYS 89 12.944 -0.838 -3.848 742 HE2 LYS 89 HE2 LYS 89 13.852 -2.444 -5.518 743 HE3 LYS 89 HE3 LYS 89 12.734 -1.807 -6.726 744 HZ1 LYS 89 HZ1 LYS 89 14.906 -0.307 -5.368 745 HZ2 LYS 89 HZ2 LYS 89 13.803 0.377 -6.450 746 HZ3 LYS 89 HZ3 LYS 89 14.887 -0.808 -6.984 747 H VAL 90 H VAL 90 7.386 -2.798 -5.993 748 HA VAL 90 HA VAL 90 6.401 -1.474 -3.692 749 HB VAL 90 HB VAL 90 4.662 -2.389 -6.038 750 HG11 VAL 90 HG11 VAL 90 3.399 -1.478 -4.129 751 HG12 VAL 90 HG12 VAL 90 3.299 -0.391 -5.511 752 HG13 VAL 90 HG13 VAL 90 4.371 -0.005 -4.161 753 HG21 VAL 90 HG21 VAL 90 6.605 -1.242 -6.984 754 HG22 VAL 90 HG22 VAL 90 6.381 0.124 -5.886 755 HG23 VAL 90 HG23 VAL 90 5.177 -0.216 -7.134 756 H LYS 91 H LYS 91 5.630 -4.699 -5.067 757 HA LYS 91 HA LYS 91 3.763 -5.588 -3.151 758 HB2 LYS 91 HB2 LYS 91 5.817 -7.122 -4.798 759 HB3 LYS 91 HB3 LYS 91 4.716 -7.944 -3.687 760 HG2 LYS 91 HG2 LYS 91 2.800 -6.915 -4.970 761 HG3 LYS 91 HG3 LYS 91 3.983 -6.349 -6.145 762 HD2 LYS 91 HD2 LYS 91 3.516 -9.268 -5.412 763 HD3 LYS 91 HD3 LYS 91 2.833 -8.469 -6.826 764 HE2 LYS 91 HE2 LYS 91 4.716 -9.679 -7.621 765 HE3 LYS 91 HE3 LYS 91 5.243 -8.000 -7.556 766 HZ1 LYS 91 HZ1 LYS 91 6.858 -9.672 -6.705 767 HZ2 LYS 91 HZ2 LYS 91 5.817 -9.974 -5.410 768 HZ3 LYS 91 HZ3 LYS 91 6.501 -8.443 -5.605 769 H LYS 92 H LYS 92 7.339 -5.712 -3.076 770 HA LYS 92 HA LYS 92 7.628 -7.181 -0.690 771 HB2 LYS 92 HB2 LYS 92 9.443 -6.929 -2.322 772 HB3 LYS 92 HB3 LYS 92 9.532 -5.209 -1.980 773 HG2 LYS 92 HG2 LYS 92 11.357 -6.364 -0.859 774 HG3 LYS 92 HG3 LYS 92 10.232 -5.699 0.331 775 HD2 LYS 92 HD2 LYS 92 9.191 -7.970 0.565 776 HD3 LYS 92 HD3 LYS 92 10.394 -8.610 -0.559 777 HE2 LYS 92 HE2 LYS 92 11.015 -9.078 1.780 778 HE3 LYS 92 HE3 LYS 92 12.194 -8.011 1.015 779 HZ1 LYS 92 HZ1 LYS 92 11.208 -6.138 2.136 780 HZ2 LYS 92 HZ2 LYS 92 11.608 -7.326 3.270 781 HZ3 LYS 92 HZ3 LYS 92 9.997 -7.115 2.805 782 H LYS 93 H LYS 93 7.212 -3.751 -1.253 783 HA LYS 93 HA LYS 93 7.624 -2.767 1.362 784 HB2 LYS 93 HB2 LYS 93 5.723 -1.701 -0.765 785 HB3 LYS 93 HB3 LYS 93 6.315 -0.802 0.627 786 HG2 LYS 93 HG2 LYS 93 8.075 -1.867 -1.603 787 HG3 LYS 93 HG3 LYS 93 7.447 -0.224 -1.527 788 HD2 LYS 93 HD2 LYS 93 8.699 0.160 0.576 789 HD3 LYS 93 HD3 LYS 93 9.325 -1.492 0.508 790 HE2 LYS 93 HE2 LYS 93 10.491 -0.977 -1.604 791 HE3 LYS 93 HE3 LYS 93 9.825 0.658 -1.589 792 HZ1 LYS 93 HZ1 LYS 93 12.149 0.472 -0.777 793 HZ2 LYS 93 HZ2 LYS 93 11.580 -0.418 0.540 794 HZ3 LYS 93 HZ3 LYS 93 11.088 1.183 0.334 795 H LEU 94 H LEU 94 4.697 -4.109 -0.206 796 HA LEU 94 HA LEU 94 2.985 -3.754 2.086 797 HB2 LEU 94 HB2 LEU 94 2.705 -5.135 -0.551 798 HB3 LEU 94 HB3 LEU 94 1.555 -5.530 0.700 799 HG LEU 94 HG LEU 94 0.592 -3.866 -0.771 800 HD11 LEU 94 HD11 LEU 94 0.010 -3.717 1.603 801 HD12 LEU 94 HD12 LEU 94 -0.017 -2.134 0.834 802 HD13 LEU 94 HD13 LEU 94 1.337 -2.583 1.873 803 HD21 LEU 94 HD21 LEU 94 2.967 -2.082 -0.147 804 HD22 LEU 94 HD22 LEU 94 1.544 -1.626 -1.089 805 HD23 LEU 94 HD23 LEU 94 2.632 -2.874 -1.689 806 H ASP 95 H ASP 95 5.030 -6.401 0.929 807 HA ASP 95 HA ASP 95 4.411 -8.377 2.831 808 HB2 ASP 95 HB2 ASP 95 7.025 -7.611 1.474 809 HB3 ASP 95 HB3 ASP 95 6.942 -8.965 2.588 810 H MET 96 H MET 96 6.481 -5.538 2.995 811 HA MET 96 HA MET 96 7.459 -5.881 5.654 812 HB2 MET 96 HB2 MET 96 8.760 -4.574 4.137 813 HB3 MET 96 HB3 MET 96 7.397 -3.566 3.697 814 HG2 MET 96 HG2 MET 96 7.492 -2.388 5.788 815 HG3 MET 96 HG3 MET 96 8.646 -3.539 6.449 816 HE1 MET 96 HE1 MET 96 10.900 -0.367 6.180 817 HE2 MET 96 HE2 MET 96 10.325 -1.671 7.219 818 HE3 MET 96 HE3 MET 96 9.206 -0.424 6.665 819 H VAL 97 H VAL 97 4.586 -4.218 4.326 820 HA VAL 97 HA VAL 97 3.754 -2.880 6.697 821 HB VAL 97 HB VAL 97 1.954 -4.014 4.500 822 HG11 VAL 97 HG11 VAL 97 0.661 -3.430 6.518 823 HG12 VAL 97 HG12 VAL 97 0.295 -2.318 5.201 824 HG13 VAL 97 HG13 VAL 97 1.359 -1.809 6.515 825 HG21 VAL 97 HG21 VAL 97 3.613 -2.529 3.522 826 HG22 VAL 97 HG22 VAL 97 3.255 -1.267 4.708 827 HG23 VAL 97 HG23 VAL 97 2.039 -1.731 3.507 828 H THR 98 H THR 98 3.089 -6.132 5.458 829 HA THR 98 HA THR 98 1.417 -7.030 7.596 830 HB THR 98 HB THR 98 3.048 -8.678 5.600 831 HG1 THR 98 HG1 THR 98 1.635 -7.530 4.385 832 HG21 THR 98 HG21 THR 98 0.628 -9.485 7.266 833 HG22 THR 98 HG22 THR 98 2.280 -10.060 7.500 834 HG23 THR 98 HG23 THR 98 1.402 -10.475 6.029 835 H ARG 99 H ARG 99 4.916 -7.404 6.912 836 HA ARG 99 HA ARG 99 5.446 -9.138 9.127 837 HB2 ARG 99 HB2 ARG 99 6.958 -8.147 6.831 838 HB3 ARG 99 HB3 ARG 99 7.949 -8.044 8.274 839 HG2 ARG 99 HG2 ARG 99 6.582 -10.557 7.246 840 HG3 ARG 99 HG3 ARG 99 8.297 -10.167 7.091 841 HD2 ARG 99 HD2 ARG 99 8.549 -10.226 9.547 842 HD3 ARG 99 HD3 ARG 99 6.823 -10.559 9.737 843 HE ARG 99 HE ARG 99 8.167 -12.503 8.099 844 HH11 ARG 99 HH11 ARG 99 7.511 -11.694 11.418 845 HH12 ARG 99 HH12 ARG 99 7.679 -13.330 11.938 846 HH21 ARG 99 HH21 ARG 99 8.395 -14.573 8.831 847 HH22 ARG 99 HH22 ARG 99 8.169 -14.925 10.509 848 H GLU 100 H GLU 100 5.686 -5.616 8.770 849 HA GLU 100 HA GLU 100 7.073 -5.244 11.280 850 HB2 GLU 100 HB2 GLU 100 7.114 -3.583 9.333 851 HB3 GLU 100 HB3 GLU 100 5.475 -3.126 9.780 852 HG2 GLU 100 HG2 GLU 100 7.133 -1.541 10.674 853 HG3 GLU 100 HG3 GLU 100 6.254 -2.354 11.968 854 H LEU 101 H LEU 101 3.733 -5.211 10.191 855 HA LEU 101 HA LEU 101 2.379 -4.598 12.584 856 HB2 LEU 101 HB2 LEU 101 1.347 -4.682 10.341 857 HB3 LEU 101 HB3 LEU 101 1.624 -6.412 10.265 858 HG LEU 101 HG LEU 101 0.024 -6.656 12.239 859 HD11 LEU 101 HD11 LEU 101 -1.555 -4.837 12.699 860 HD12 LEU 101 HD12 LEU 101 -0.656 -3.764 11.624 861 HD13 LEU 101 HD13 LEU 101 0.094 -4.363 13.104 862 HD21 LEU 101 HD21 LEU 101 -1.069 -5.507 9.653 863 HD22 LEU 101 HD22 LEU 101 -1.984 -6.455 10.827 864 HD23 LEU 101 HD23 LEU 101 -0.645 -7.194 9.956 865 H ASP 102 H ASP 102 3.820 -7.605 11.406 866 HA ASP 102 HA ASP 102 2.814 -9.492 13.200 867 HB2 ASP 102 HB2 ASP 102 4.089 -10.202 11.274 868 HB3 ASP 102 HB3 ASP 102 5.508 -9.319 11.810 869 H LYS 103 H LYS 103 5.489 -7.179 13.653 870 HA LYS 103 HA LYS 103 6.626 -8.118 16.040 871 HB2 LYS 103 HB2 LYS 103 6.402 -5.340 14.852 872 HB3 LYS 103 HB3 LYS 103 7.137 -5.556 16.431 873 HG2 LYS 103 HG2 LYS 103 8.838 -5.391 14.717 874 HG3 LYS 103 HG3 LYS 103 8.874 -6.989 15.458 875 HD2 LYS 103 HD2 LYS 103 7.860 -7.994 13.512 876 HD3 LYS 103 HD3 LYS 103 7.493 -6.416 12.815 877 HE2 LYS 103 HE2 LYS 103 10.313 -7.456 13.276 878 HE3 LYS 103 HE3 LYS 103 9.446 -7.570 11.744 879 HZ1 LYS 103 HZ1 LYS 103 9.967 -4.995 13.121 880 HZ2 LYS 103 HZ2 LYS 103 9.410 -5.221 11.546 881 HZ3 LYS 103 HZ3 LYS 103 10.995 -5.645 11.949 882 H LYS 104 H LYS 104 3.752 -6.142 15.548 883 HA LYS 104 HA LYS 104 3.223 -5.273 18.163 884 HB2 LYS 104 HB2 LYS 104 1.354 -5.809 15.843 885 HB3 LYS 104 HB3 LYS 104 0.831 -5.078 17.361 886 HG2 LYS 104 HG2 LYS 104 2.513 -3.249 17.006 887 HG3 LYS 104 HG3 LYS 104 2.888 -3.958 15.435 888 HD2 LYS 104 HD2 LYS 104 1.340 -2.050 15.288 889 HD3 LYS 104 HD3 LYS 104 0.627 -3.521 14.635 890 HE2 LYS 104 HE2 LYS 104 -0.621 -3.809 16.779 891 HE3 LYS 104 HE3 LYS 104 0.068 -2.294 17.360 892 HZ1 LYS 104 HZ1 LYS 104 -2.161 -1.989 16.505 893 HZ2 LYS 104 HZ2 LYS 104 -1.707 -2.593 14.993 894 HZ3 LYS 104 HZ3 LYS 104 -1.055 -1.137 15.554 895 H VAL 105 H VAL 105 2.081 -8.225 16.472 896 HA VAL 105 HA VAL 105 0.696 -9.220 18.860 897 HB VAL 105 HB VAL 105 -0.358 -9.403 16.594 898 HG11 VAL 105 HG11 VAL 105 1.632 -9.868 15.233 899 HG12 VAL 105 HG12 VAL 105 0.383 -11.082 14.961 900 HG13 VAL 105 HG13 VAL 105 1.782 -11.468 15.967 901 HG21 VAL 105 HG21 VAL 105 -1.100 -10.903 18.407 902 HG22 VAL 105 HG22 VAL 105 0.098 -12.105 17.924 903 HG23 VAL 105 HG23 VAL 105 -1.232 -11.697 16.837 904 H SER 106 H SER 106 3.777 -9.582 17.368 905 HA SER 106 HA SER 106 4.507 -12.162 18.433 906 HB2 SER 106 HB2 SER 106 5.609 -11.238 16.404 907 HB3 SER 106 HB3 SER 106 6.302 -9.937 17.375 908 HG SER 106 HG SER 106 7.260 -12.386 16.957 909 H GLY 107 H GLY 107 4.810 -8.813 19.492 910 HA2 GLY 107 HA2 GLY 107 4.778 -8.261 21.828 911 HA3 GLY 107 HA3 GLY 107 5.691 -9.716 22.183 912 H SER 108 H SER 108 7.648 -9.345 20.076 913 HA SER 108 HA SER 108 8.987 -6.805 20.427 914 HB2 SER 108 HB2 SER 108 9.554 -8.017 22.575 915 HB3 SER 108 HB3 SER 108 10.345 -9.270 21.621 916 HG SER 108 HG SER 108 11.566 -7.304 22.552 917 H TYR 109 H TYR 109 11.363 -7.058 19.462 918 HA TYR 109 HA TYR 109 11.043 -8.140 16.776 919 HB2 TYR 109 HB2 TYR 109 13.225 -6.435 18.055 920 HB3 TYR 109 HB3 TYR 109 13.278 -6.975 16.380 921 HD1 TYR 109 HD1 TYR 109 11.144 -4.985 18.769 922 HD2 TYR 109 HD2 TYR 109 12.264 -5.646 14.696 923 HE1 TYR 109 HE1 TYR 109 9.849 -3.011 18.087 924 HE2 TYR 109 HE2 TYR 109 10.968 -3.674 14.022 925 HH TYR 109 HH TYR 109 9.045 -2.340 14.878 926 H LEU 110 H LEU 110 11.327 -10.372 16.797 927 HA LEU 110 HA LEU 110 13.707 -11.621 17.905 928 HB2 LEU 110 HB2 LEU 110 11.516 -12.675 16.077 929 HB3 LEU 110 HB3 LEU 110 12.902 -13.644 16.534 930 HG LEU 110 HG LEU 110 11.036 -14.293 17.924 931 HD11 LEU 110 HD11 LEU 110 12.963 -12.649 19.594 932 HD12 LEU 110 HD12 LEU 110 13.211 -14.304 19.031 933 HD13 LEU 110 HD13 LEU 110 11.922 -13.953 20.178 934 HD21 LEU 110 HD21 LEU 110 10.736 -11.391 18.773 935 HD22 LEU 110 HD22 LEU 110 9.835 -12.761 19.430 936 HD23 LEU 110 HD23 LEU 110 9.627 -12.301 17.743 937 H VAL 111 H VAL 111 12.574 -10.760 14.598 938 HA VAL 111 HA VAL 111 15.419 -10.200 13.942 939 HB VAL 111 HB VAL 111 14.892 -10.254 11.548 940 HG11 VAL 111 HG11 VAL 111 14.493 -12.665 11.229 941 HG12 VAL 111 HG12 VAL 111 13.920 -12.800 12.894 942 HG13 VAL 111 HG13 VAL 111 15.601 -12.369 12.571 943 HG21 VAL 111 HG21 VAL 111 12.550 -9.493 11.580 944 HG22 VAL 111 HG22 VAL 111 12.041 -11.021 12.296 945 HG23 VAL 111 HG23 VAL 111 12.700 -10.990 10.660 946 HA PRO 112 HA PRO 112 14.262 -5.860 14.231 947 HB2 PRO 112 HB2 PRO 112 16.380 -5.199 12.230 948 HB3 PRO 112 HB3 PRO 112 16.256 -4.728 13.929 949 HG2 PRO 112 HG2 PRO 112 18.078 -6.540 13.105 950 HG3 PRO 112 HG3 PRO 112 17.279 -6.679 14.687 951 HD2 PRO 112 HD2 PRO 112 16.670 -8.154 12.117 952 HD3 PRO 112 HD3 PRO 112 16.781 -8.786 13.778 953 H ARG 113 H ARG 113 15.009 -6.884 10.874 954 HA ARG 113 HA ARG 113 12.672 -5.681 9.707 955 HB2 ARG 113 HB2 ARG 113 13.932 -3.634 10.106 956 HB3 ARG 113 HB3 ARG 113 15.385 -4.325 9.405 957 HG2 ARG 113 HG2 ARG 113 13.446 -4.435 7.325 958 HG3 ARG 113 HG3 ARG 113 13.207 -2.862 8.089 959 HD2 ARG 113 HD2 ARG 113 14.819 -2.740 6.221 960 HD3 ARG 113 HD3 ARG 113 15.586 -2.326 7.760 961 HE ARG 113 HE ARG 113 15.812 -5.111 6.926 962 HH11 ARG 113 HH11 ARG 113 17.394 -2.028 6.926 963 HH12 ARG 113 HH12 ARG 113 18.955 -2.735 6.691 964 HH21 ARG 113 HH21 ARG 113 17.812 -5.955 6.650 965 HH22 ARG 113 HH22 ARG 113 19.190 -4.915 6.542 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -20.911 1.056 13.905 2 H2 MET 1 H2 MET 1 -19.382 0.874 13.206 3 H3 MET 1 H3 MET 1 -20.271 2.286 12.936 4 HA MET 1 HA MET 1 -18.493 2.645 14.499 5 HB2 MET 1 HB2 MET 1 -19.876 3.686 16.329 6 HB3 MET 1 HB3 MET 1 -20.407 4.103 14.707 7 HG2 MET 1 HG2 MET 1 -22.269 2.525 14.885 8 HG3 MET 1 HG3 MET 1 -21.720 2.030 16.485 9 HE1 MET 1 HE1 MET 1 -21.916 5.652 14.851 10 HE2 MET 1 HE2 MET 1 -23.463 6.203 15.497 11 HE3 MET 1 HE3 MET 1 -23.415 4.867 14.347 12 H GLY 2 H GLY 2 -17.153 1.015 15.209 13 HA2 GLY 2 HA2 GLY 2 -18.029 -0.988 17.165 14 HA3 GLY 2 HA3 GLY 2 -16.426 -0.828 16.459 15 H SER 3 H SER 3 -18.564 1.260 18.399 16 HA SER 3 HA SER 3 -18.225 2.778 20.023 17 HB2 SER 3 HB2 SER 3 -16.425 0.614 21.151 18 HB3 SER 3 HB3 SER 3 -17.055 1.983 22.068 19 HG SER 3 HG SER 3 -18.718 0.758 22.414 20 H HIS 4 H HIS 4 -14.864 1.590 20.307 21 HA HIS 4 HA HIS 4 -13.748 3.843 18.807 22 HB2 HIS 4 HB2 HIS 4 -13.064 3.402 21.754 23 HB3 HIS 4 HB3 HIS 4 -12.133 4.436 20.678 24 HD1 HIS 4 HD1 HIS 4 -13.443 6.577 19.736 25 HD2 HIS 4 HD2 HIS 4 -15.223 4.638 22.945 26 HE1 HIS 4 HE1 HIS 4 -15.121 8.196 20.642 27 HE2 HIS 4 HE2 HIS 4 -15.973 7.101 22.733 28 H GLN 5 H GLN 5 -12.774 1.238 21.066 29 HA GLN 5 HA GLN 5 -10.302 0.653 19.745 30 HB2 GLN 5 HB2 GLN 5 -11.823 -0.937 21.850 31 HB3 GLN 5 HB3 GLN 5 -10.163 -1.254 21.345 32 HG2 GLN 5 HG2 GLN 5 -9.480 0.970 22.194 33 HG3 GLN 5 HG3 GLN 5 -11.141 1.281 22.703 34 HE21 GLN 5 HE21 GLN 5 -11.973 0.105 24.498 35 HE22 GLN 5 HE22 GLN 5 -10.925 -0.684 25.618 36 H GLU 6 H GLU 6 -13.468 -1.014 19.867 37 HA GLU 6 HA GLU 6 -12.736 -3.296 18.337 38 HB2 GLU 6 HB2 GLU 6 -15.528 -2.091 18.522 39 HB3 GLU 6 HB3 GLU 6 -15.119 -3.759 18.129 40 HG2 GLU 6 HG2 GLU 6 -14.767 -2.381 20.808 41 HG3 GLU 6 HG3 GLU 6 -15.978 -3.592 20.401 42 H TYR 7 H TYR 7 -13.867 -0.088 17.416 43 HA TYR 7 HA TYR 7 -14.268 -0.350 14.662 44 HB2 TYR 7 HB2 TYR 7 -14.773 1.720 15.893 45 HB3 TYR 7 HB3 TYR 7 -13.069 1.968 16.244 46 HD1 TYR 7 HD1 TYR 7 -15.605 1.992 13.506 47 HD2 TYR 7 HD2 TYR 7 -11.631 3.100 14.630 48 HE1 TYR 7 HE1 TYR 7 -15.403 3.353 11.469 49 HE2 TYR 7 HE2 TYR 7 -11.435 4.466 12.592 50 HH TYR 7 HH TYR 7 -14.114 5.262 10.638 51 H ILE 8 H ILE 8 -11.254 0.551 16.366 52 HA ILE 8 HA ILE 8 -9.485 0.559 14.185 53 HB ILE 8 HB ILE 8 -8.963 0.062 17.147 54 HG12 ILE 8 HG12 ILE 8 -9.943 2.283 16.644 55 HG13 ILE 8 HG13 ILE 8 -8.286 2.449 17.211 56 HG21 ILE 8 HG21 ILE 8 -6.885 0.655 15.007 57 HG22 ILE 8 HG22 ILE 8 -7.045 -0.841 15.930 58 HG23 ILE 8 HG23 ILE 8 -6.585 0.653 16.746 59 HD11 ILE 8 HD11 ILE 8 -7.530 2.795 14.902 60 HD12 ILE 8 HD12 ILE 8 -8.748 3.972 15.384 61 HD13 ILE 8 HD13 ILE 8 -9.195 2.631 14.333 62 H LYS 9 H LYS 9 -10.482 -2.107 16.292 63 HA LYS 9 HA LYS 9 -8.643 -4.077 15.375 64 HB2 LYS 9 HB2 LYS 9 -11.353 -4.309 16.735 65 HB3 LYS 9 HB3 LYS 9 -10.300 -5.694 16.439 66 HG2 LYS 9 HG2 LYS 9 -8.620 -4.864 17.930 67 HG3 LYS 9 HG3 LYS 9 -9.370 -3.269 18.008 68 HD2 LYS 9 HD2 LYS 9 -9.756 -4.529 20.085 69 HD3 LYS 9 HD3 LYS 9 -11.273 -4.188 19.253 70 HE2 LYS 9 HE2 LYS 9 -11.316 -6.507 18.387 71 HE3 LYS 9 HE3 LYS 9 -9.792 -6.847 19.214 72 HZ1 LYS 9 HZ1 LYS 9 -11.734 -7.627 20.449 73 HZ2 LYS 9 HZ2 LYS 9 -12.318 -6.043 20.551 74 HZ3 LYS 9 HZ3 LYS 9 -10.874 -6.460 21.319 75 H LYS 10 H LYS 10 -11.929 -3.195 14.248 76 HA LYS 10 HA LYS 10 -12.068 -5.153 12.149 77 HB2 LYS 10 HB2 LYS 10 -13.666 -2.699 12.857 78 HB3 LYS 10 HB3 LYS 10 -13.790 -3.275 11.203 79 HG2 LYS 10 HG2 LYS 10 -15.616 -4.193 12.480 80 HG3 LYS 10 HG3 LYS 10 -14.516 -5.497 12.032 81 HD2 LYS 10 HD2 LYS 10 -13.517 -5.355 14.352 82 HD3 LYS 10 HD3 LYS 10 -14.763 -4.174 14.765 83 HE2 LYS 10 HE2 LYS 10 -15.434 -6.371 15.564 84 HE3 LYS 10 HE3 LYS 10 -16.503 -5.896 14.246 85 HZ1 LYS 10 HZ1 LYS 10 -15.206 -7.297 12.753 86 HZ2 LYS 10 HZ2 LYS 10 -15.816 -8.195 14.051 87 HZ3 LYS 10 HZ3 LYS 10 -14.188 -7.745 14.031 88 H VAL 11 H VAL 11 -10.942 -1.788 12.278 89 HA VAL 11 HA VAL 11 -10.323 -1.411 9.539 90 HB VAL 11 HB VAL 11 -9.230 -0.047 12.043 91 HG11 VAL 11 HG11 VAL 11 -7.585 0.274 10.237 92 HG12 VAL 11 HG12 VAL 11 -8.416 1.789 10.589 93 HG13 VAL 11 HG13 VAL 11 -8.857 0.852 9.158 94 HG21 VAL 11 HG21 VAL 11 -10.779 1.791 11.434 95 HG22 VAL 11 HG22 VAL 11 -11.650 0.276 11.663 96 HG23 VAL 11 HG23 VAL 11 -11.332 0.868 10.033 97 H THR 12 H THR 12 -8.630 -3.102 12.075 98 HA THR 12 HA THR 12 -6.081 -3.360 10.805 99 HB THR 12 HB THR 12 -7.384 -5.238 12.826 100 HG1 THR 12 HG1 THR 12 -6.815 -2.798 13.228 101 HG21 THR 12 HG21 THR 12 -5.086 -5.960 13.372 102 HG22 THR 12 HG22 THR 12 -4.436 -4.901 12.121 103 HG23 THR 12 HG23 THR 12 -5.435 -6.286 11.673 104 H ASP 13 H ASP 13 -9.077 -5.347 10.711 105 HA ASP 13 HA ASP 13 -8.054 -7.323 8.890 106 HB2 ASP 13 HB2 ASP 13 -10.959 -6.537 9.387 107 HB3 ASP 13 HB3 ASP 13 -10.413 -8.013 8.595 108 H GLU 14 H GLU 14 -9.683 -4.203 8.482 109 HA GLU 14 HA GLU 14 -10.091 -4.263 5.676 110 HB2 GLU 14 HB2 GLU 14 -9.501 -1.851 7.449 111 HB3 GLU 14 HB3 GLU 14 -10.160 -1.779 5.823 112 HG2 GLU 14 HG2 GLU 14 -11.514 -3.024 8.214 113 HG3 GLU 14 HG3 GLU 14 -11.872 -1.434 7.559 114 H LEU 15 H LEU 15 -7.281 -3.458 7.658 115 HA LEU 15 HA LEU 15 -5.502 -2.582 5.643 116 HB2 LEU 15 HB2 LEU 15 -5.068 -2.128 7.969 117 HB3 LEU 15 HB3 LEU 15 -5.071 -3.828 8.384 118 HG LEU 15 HG LEU 15 -2.910 -2.905 6.485 119 HD11 LEU 15 HD11 LEU 15 -1.461 -2.125 8.313 120 HD12 LEU 15 HD12 LEU 15 -2.793 -2.296 9.459 121 HD13 LEU 15 HD13 LEU 15 -2.891 -1.104 8.163 122 HD21 LEU 15 HD21 LEU 15 -2.890 -4.829 8.844 123 HD22 LEU 15 HD22 LEU 15 -1.549 -4.548 7.724 124 HD23 LEU 15 HD23 LEU 15 -3.046 -5.283 7.145 125 H LYS 16 H LYS 16 -6.047 -5.859 7.015 126 HA LYS 16 HA LYS 16 -4.228 -7.331 5.438 127 HB2 LYS 16 HB2 LYS 16 -6.757 -8.056 6.918 128 HB3 LYS 16 HB3 LYS 16 -6.090 -9.245 5.814 129 HG2 LYS 16 HG2 LYS 16 -5.354 -9.684 8.092 130 HG3 LYS 16 HG3 LYS 16 -3.982 -9.275 7.060 131 HD2 LYS 16 HD2 LYS 16 -4.003 -6.960 7.986 132 HD3 LYS 16 HD3 LYS 16 -5.346 -7.413 9.045 133 HE2 LYS 16 HE2 LYS 16 -3.224 -7.453 10.263 134 HE3 LYS 16 HE3 LYS 16 -3.900 -9.080 10.158 135 HZ1 LYS 16 HZ1 LYS 16 -1.731 -7.983 8.447 136 HZ2 LYS 16 HZ2 LYS 16 -2.381 -9.537 8.326 137 HZ3 LYS 16 HZ3 LYS 16 -1.538 -9.084 9.718 138 H GLU 17 H GLU 17 -7.639 -6.570 4.841 139 HA GLU 17 HA GLU 17 -7.980 -7.786 2.322 140 HB2 GLU 17 HB2 GLU 17 -9.900 -7.021 3.626 141 HB3 GLU 17 HB3 GLU 17 -9.339 -5.355 3.550 142 HG2 GLU 17 HG2 GLU 17 -9.720 -5.360 1.088 143 HG3 GLU 17 HG3 GLU 17 -10.321 -7.015 1.202 144 H LEU 18 H LEU 18 -6.929 -4.564 3.224 145 HA LEU 18 HA LEU 18 -6.999 -3.303 0.727 146 HB2 LEU 18 HB2 LEU 18 -6.475 -2.581 3.373 147 HB3 LEU 18 HB3 LEU 18 -4.914 -2.334 2.633 148 HG LEU 18 HG LEU 18 -5.738 -0.602 1.206 149 HD11 LEU 18 HD11 LEU 18 -8.543 -1.461 1.969 150 HD12 LEU 18 HD12 LEU 18 -7.760 -1.649 0.395 151 HD13 LEU 18 HD13 LEU 18 -8.134 -0.039 1.002 152 HD21 LEU 18 HD21 LEU 18 -6.698 1.018 2.762 153 HD22 LEU 18 HD22 LEU 18 -5.458 0.072 3.577 154 HD23 LEU 18 HD23 LEU 18 -7.162 -0.274 3.871 155 H ILE 19 H ILE 19 -4.235 -4.699 2.468 156 HA ILE 19 HA ILE 19 -2.257 -4.435 0.490 157 HB ILE 19 HB ILE 19 -2.535 -6.504 2.720 158 HG12 ILE 19 HG12 ILE 19 -0.836 -3.959 2.680 159 HG13 ILE 19 HG13 ILE 19 -2.432 -4.038 3.412 160 HG21 ILE 19 HG21 ILE 19 -0.946 -7.354 1.049 161 HG22 ILE 19 HG22 ILE 19 -0.094 -6.885 2.519 162 HG23 ILE 19 HG23 ILE 19 -0.047 -5.834 1.103 163 HD11 ILE 19 HD11 ILE 19 -1.629 -5.686 5.018 164 HD12 ILE 19 HD12 ILE 19 -0.675 -4.202 5.070 165 HD13 ILE 19 HD13 ILE 19 -0.023 -5.634 4.276 166 H GLN 20 H GLN 20 -4.461 -7.196 1.183 167 HA GLN 20 HA GLN 20 -3.595 -9.068 -0.687 168 HB2 GLN 20 HB2 GLN 20 -5.282 -9.624 0.997 169 HB3 GLN 20 HB3 GLN 20 -6.435 -8.510 0.274 170 HG2 GLN 20 HG2 GLN 20 -6.560 -9.946 -1.746 171 HG3 GLN 20 HG3 GLN 20 -5.397 -11.059 -1.023 172 HE21 GLN 20 HE21 GLN 20 -6.867 -12.780 -1.102 173 HE22 GLN 20 HE22 GLN 20 -8.231 -12.881 -0.053 174 H ASN 21 H ASN 21 -6.094 -6.541 -1.191 175 HA ASN 21 HA ASN 21 -6.667 -7.084 -3.885 176 HB2 ASN 21 HB2 ASN 21 -6.962 -4.514 -2.286 177 HB3 ASN 21 HB3 ASN 21 -7.439 -4.622 -3.975 178 HD21 ASN 21 HD21 ASN 21 -8.320 -5.381 -0.742 179 HD22 ASN 21 HD22 ASN 21 -9.828 -6.127 -1.103 180 H VAL 22 H VAL 22 -4.369 -4.691 -2.495 181 HA VAL 22 HA VAL 22 -3.386 -3.601 -4.871 182 HB VAL 22 HB VAL 22 -2.016 -3.925 -2.165 183 HG11 VAL 22 HG11 VAL 22 -0.227 -3.711 -3.839 184 HG12 VAL 22 HG12 VAL 22 -0.356 -2.222 -2.904 185 HG13 VAL 22 HG13 VAL 22 -1.019 -2.297 -4.541 186 HG21 VAL 22 HG21 VAL 22 -3.294 -1.518 -3.516 187 HG22 VAL 22 HG22 VAL 22 -2.508 -1.509 -1.935 188 HG23 VAL 22 HG23 VAL 22 -3.981 -2.447 -2.181 189 H ASN 23 H ASN 23 -2.209 -6.510 -3.120 190 HA ASN 23 HA ASN 23 0.011 -7.152 -4.723 191 HB2 ASN 23 HB2 ASN 23 -1.858 -8.983 -3.164 192 HB3 ASN 23 HB3 ASN 23 -0.375 -9.548 -3.925 193 HD21 ASN 23 HD21 ASN 23 0.651 -10.108 -2.001 194 HD22 ASN 23 HD22 ASN 23 1.139 -8.943 -0.820 195 H ASP 24 H ASP 24 -3.405 -8.116 -5.103 196 HA ASP 24 HA ASP 24 -3.064 -9.622 -7.480 197 HB2 ASP 24 HB2 ASP 24 -5.412 -8.472 -6.002 198 HB3 ASP 24 HB3 ASP 24 -5.682 -8.962 -7.662 199 H ASP 25 H ASP 25 -3.955 -6.186 -7.023 200 HA ASP 25 HA ASP 25 -4.256 -5.510 -9.752 201 HB2 ASP 25 HB2 ASP 25 -3.552 -3.834 -7.316 202 HB3 ASP 25 HB3 ASP 25 -3.751 -3.112 -8.912 203 H ILE 26 H ILE 26 -1.378 -5.658 -7.684 204 HA ILE 26 HA ILE 26 0.520 -4.541 -9.485 205 HB ILE 26 HB ILE 26 0.847 -6.452 -7.135 206 HG12 ILE 26 HG12 ILE 26 1.662 -3.531 -7.483 207 HG13 ILE 26 HG13 ILE 26 0.248 -4.090 -6.600 208 HG21 ILE 26 HG21 ILE 26 2.684 -6.993 -8.668 209 HG22 ILE 26 HG22 ILE 26 3.306 -6.142 -7.257 210 HG23 ILE 26 HG23 ILE 26 3.115 -5.285 -8.786 211 HD11 ILE 26 HD11 ILE 26 3.137 -4.556 -5.859 212 HD12 ILE 26 HD12 ILE 26 1.749 -5.226 -4.993 213 HD13 ILE 26 HD13 ILE 26 1.982 -3.480 -5.068 214 H LYS 27 H LYS 27 -0.702 -7.861 -9.049 215 HA LYS 27 HA LYS 27 0.939 -9.219 -10.904 216 HB2 LYS 27 HB2 LYS 27 -1.954 -9.736 -10.099 217 HB3 LYS 27 HB3 LYS 27 -0.985 -10.869 -11.040 218 HG2 LYS 27 HG2 LYS 27 0.483 -11.298 -9.205 219 HG3 LYS 27 HG3 LYS 27 -0.125 -9.917 -8.293 220 HD2 LYS 27 HD2 LYS 27 -0.956 -12.077 -7.395 221 HD3 LYS 27 HD3 LYS 27 -2.266 -11.027 -7.936 222 HE2 LYS 27 HE2 LYS 27 -2.428 -12.334 -10.037 223 HE3 LYS 27 HE3 LYS 27 -1.136 -13.397 -9.468 224 HZ1 LYS 27 HZ1 LYS 27 -3.777 -13.002 -8.174 225 HZ2 LYS 27 HZ2 LYS 27 -2.546 -14.006 -7.594 226 HZ3 LYS 27 HZ3 LYS 27 -3.296 -14.356 -9.068 227 H GLU 28 H GLU 28 -2.173 -7.542 -11.368 228 HA GLU 28 HA GLU 28 -2.343 -7.869 -14.185 229 HB2 GLU 28 HB2 GLU 28 -3.694 -6.072 -12.173 230 HB3 GLU 28 HB3 GLU 28 -3.888 -5.707 -13.881 231 HG2 GLU 28 HG2 GLU 28 -5.776 -7.000 -13.094 232 HG3 GLU 28 HG3 GLU 28 -4.862 -7.921 -14.277 233 H VAL 29 H VAL 29 -0.636 -5.488 -12.207 234 HA VAL 29 HA VAL 29 0.087 -3.713 -14.322 235 HB VAL 29 HB VAL 29 1.513 -4.220 -11.669 236 HG11 VAL 29 HG11 VAL 29 2.703 -2.125 -12.081 237 HG12 VAL 29 HG12 VAL 29 1.899 -1.935 -13.634 238 HG13 VAL 29 HG13 VAL 29 3.035 -3.263 -13.377 239 HG21 VAL 29 HG21 VAL 29 -0.747 -3.283 -11.350 240 HG22 VAL 29 HG22 VAL 29 -0.383 -1.972 -12.470 241 HG23 VAL 29 HG23 VAL 29 0.483 -2.085 -10.933 242 H GLU 30 H GLU 30 1.718 -6.589 -12.915 243 HA GLU 30 HA GLU 30 4.198 -6.415 -14.223 244 HB2 GLU 30 HB2 GLU 30 2.651 -8.907 -13.414 245 HB3 GLU 30 HB3 GLU 30 4.364 -8.888 -13.849 246 HG2 GLU 30 HG2 GLU 30 4.881 -7.424 -11.946 247 HG3 GLU 30 HG3 GLU 30 3.179 -7.359 -11.506 248 H LYS 31 H LYS 31 1.120 -7.589 -15.381 249 HA LYS 31 HA LYS 31 2.109 -8.581 -17.905 250 HB2 LYS 31 HB2 LYS 31 0.030 -9.424 -16.673 251 HB3 LYS 31 HB3 LYS 31 -0.764 -7.923 -17.157 252 HG2 LYS 31 HG2 LYS 31 -0.221 -8.541 -19.555 253 HG3 LYS 31 HG3 LYS 31 0.317 -10.109 -18.940 254 HD2 LYS 31 HD2 LYS 31 -1.939 -10.569 -18.082 255 HD3 LYS 31 HD3 LYS 31 -2.486 -8.972 -18.607 256 HE2 LYS 31 HE2 LYS 31 -1.988 -9.625 -20.970 257 HE3 LYS 31 HE3 LYS 31 -1.549 -11.237 -20.405 258 HZ1 LYS 31 HZ1 LYS 31 -4.209 -9.963 -20.126 259 HZ2 LYS 31 HZ2 LYS 31 -3.799 -11.509 -19.582 260 HZ3 LYS 31 HZ3 LYS 31 -3.798 -11.167 -21.239 261 H ASN 32 H ASN 32 0.126 -5.750 -16.882 262 HA ASN 32 HA ASN 32 0.942 -4.239 -19.318 263 HB2 ASN 32 HB2 ASN 32 -1.805 -4.507 -18.063 264 HB3 ASN 32 HB3 ASN 32 -1.390 -3.029 -18.910 265 HD21 ASN 32 HD21 ASN 32 -0.323 -6.257 -19.956 266 HD22 ASN 32 HD22 ASN 32 -1.263 -6.265 -21.391 267 HA PRO 33 HA PRO 33 2.519 -2.135 -15.479 268 HB2 PRO 33 HB2 PRO 33 4.675 -1.126 -17.295 269 HB3 PRO 33 HB3 PRO 33 4.809 -2.031 -15.781 270 HG2 PRO 33 HG2 PRO 33 5.327 -3.222 -18.121 271 HG3 PRO 33 HG3 PRO 33 4.478 -4.099 -16.827 272 HD2 PRO 33 HD2 PRO 33 3.296 -2.734 -19.268 273 HD3 PRO 33 HD3 PRO 33 2.979 -4.367 -18.634 274 H GLU 34 H GLU 34 2.035 -0.662 -18.616 275 HA GLU 34 HA GLU 34 2.312 2.081 -17.614 276 HB2 GLU 34 HB2 GLU 34 1.692 1.178 -20.460 277 HB3 GLU 34 HB3 GLU 34 2.349 2.734 -19.947 278 HG2 GLU 34 HG2 GLU 34 4.436 1.632 -19.244 279 HG3 GLU 34 HG3 GLU 34 3.781 0.064 -19.712 280 H ASP 35 H ASP 35 -0.206 -0.127 -17.847 281 HA ASP 35 HA ASP 35 -2.360 1.713 -18.343 282 HB2 ASP 35 HB2 ASP 35 -2.216 -1.113 -17.269 283 HB3 ASP 35 HB3 ASP 35 -3.726 -0.207 -17.205 284 H MET 36 H MET 36 -2.330 3.420 -17.086 285 HA MET 36 HA MET 36 -1.631 3.575 -14.353 286 HB2 MET 36 HB2 MET 36 -3.083 5.491 -16.200 287 HB3 MET 36 HB3 MET 36 -2.640 5.892 -14.554 288 HG2 MET 36 HG2 MET 36 -0.682 5.134 -16.751 289 HG3 MET 36 HG3 MET 36 -1.035 6.780 -16.202 290 HE1 MET 36 HE1 MET 36 1.776 3.794 -14.189 291 HE2 MET 36 HE2 MET 36 1.409 3.942 -15.908 292 HE3 MET 36 HE3 MET 36 0.229 3.218 -14.812 293 H GLU 37 H GLU 37 -4.602 2.733 -15.873 294 HA GLU 37 HA GLU 37 -6.506 3.139 -13.887 295 HB2 GLU 37 HB2 GLU 37 -7.008 2.244 -16.137 296 HB3 GLU 37 HB3 GLU 37 -6.201 0.731 -15.737 297 HG2 GLU 37 HG2 GLU 37 -7.910 0.235 -14.043 298 HG3 GLU 37 HG3 GLU 37 -8.697 1.784 -14.352 299 H TYR 38 H TYR 38 -4.192 0.429 -14.187 300 HA TYR 38 HA TYR 38 -5.014 -1.039 -11.882 301 HB2 TYR 38 HB2 TYR 38 -2.389 -1.067 -13.421 302 HB3 TYR 38 HB3 TYR 38 -2.803 -2.246 -12.181 303 HD1 TYR 38 HD1 TYR 38 -5.709 -2.724 -12.881 304 HD2 TYR 38 HD2 TYR 38 -2.257 -2.427 -15.388 305 HE1 TYR 38 HE1 TYR 38 -6.816 -4.114 -14.572 306 HE2 TYR 38 HE2 TYR 38 -3.373 -3.819 -17.081 307 HH TYR 38 HH TYR 38 -6.726 -4.634 -16.885 308 H TRP 39 H TRP 39 -2.317 1.239 -12.426 309 HA TRP 39 HA TRP 39 -1.352 1.227 -9.756 310 HB2 TRP 39 HB2 TRP 39 -0.879 3.074 -12.108 311 HB3 TRP 39 HB3 TRP 39 -0.207 3.451 -10.525 312 HD1 TRP 39 HD1 TRP 39 0.763 1.700 -13.585 313 HE1 TRP 39 HE1 TRP 39 2.730 0.119 -13.172 314 HE3 TRP 39 HE3 TRP 39 0.620 1.547 -8.469 315 HZ2 TRP 39 HZ2 TRP 39 4.031 -1.087 -10.948 316 HZ3 TRP 39 HZ3 TRP 39 2.249 0.143 -7.277 317 HH2 TRP 39 HH2 TRP 39 3.926 -1.150 -8.495 318 H ASN 40 H ASN 40 -3.950 3.071 -11.245 319 HA ASN 40 HA ASN 40 -4.214 5.089 -9.281 320 HB2 ASN 40 HB2 ASN 40 -5.243 5.295 -11.480 321 HB3 ASN 40 HB3 ASN 40 -6.192 3.832 -11.232 322 HD21 ASN 40 HD21 ASN 40 -7.980 3.917 -9.895 323 HD22 ASN 40 HD22 ASN 40 -8.690 5.400 -9.438 324 H LYS 41 H LYS 41 -5.645 1.835 -9.649 325 HA LYS 41 HA LYS 41 -7.286 1.731 -7.371 326 HB2 LYS 41 HB2 LYS 41 -5.666 -0.505 -8.664 327 HB3 LYS 41 HB3 LYS 41 -6.961 -0.762 -7.499 328 HG2 LYS 41 HG2 LYS 41 -7.289 0.507 -10.239 329 HG3 LYS 41 HG3 LYS 41 -7.664 -1.169 -9.830 330 HD2 LYS 41 HD2 LYS 41 -9.365 -0.335 -8.176 331 HD3 LYS 41 HD3 LYS 41 -9.034 1.314 -8.715 332 HE2 LYS 41 HE2 LYS 41 -9.787 0.700 -11.001 333 HE3 LYS 41 HE3 LYS 41 -10.126 -0.940 -10.443 334 HZ1 LYS 41 HZ1 LYS 41 -11.443 1.539 -9.486 335 HZ2 LYS 41 HZ2 LYS 41 -11.744 -0.014 -8.897 336 HZ3 LYS 41 HZ3 LYS 41 -12.121 0.368 -10.497 337 H ILE 42 H ILE 42 -3.937 0.591 -7.745 338 HA ILE 42 HA ILE 42 -3.334 -0.181 -5.138 339 HB ILE 42 HB ILE 42 -1.555 0.894 -7.369 340 HG12 ILE 42 HG12 ILE 42 -2.022 -1.975 -6.432 341 HG13 ILE 42 HG13 ILE 42 -2.887 -1.229 -7.770 342 HG21 ILE 42 HG21 ILE 42 -0.622 -0.470 -4.814 343 HG22 ILE 42 HG22 ILE 42 -0.299 1.199 -5.284 344 HG23 ILE 42 HG23 ILE 42 0.396 -0.127 -6.215 345 HD11 ILE 42 HD11 ILE 42 -0.787 -1.006 -8.999 346 HD12 ILE 42 HD12 ILE 42 -1.114 -2.678 -8.544 347 HD13 ILE 42 HD13 ILE 42 0.081 -1.743 -7.648 348 H TYR 43 H TYR 43 -2.748 2.979 -6.676 349 HA TYR 43 HA TYR 43 -1.418 4.304 -4.614 350 HB2 TYR 43 HB2 TYR 43 -1.494 5.152 -6.911 351 HB3 TYR 43 HB3 TYR 43 -3.228 5.425 -6.794 352 HD1 TYR 43 HD2 TYR 43 0.027 6.493 -5.234 353 HD2 TYR 43 HD1 TYR 43 -4.016 7.573 -6.131 354 HE1 TYR 43 HE2 TYR 43 0.446 8.772 -4.409 355 HE2 TYR 43 HE1 TYR 43 -3.589 9.844 -5.310 356 HH TYR 43 HH TYR 43 -0.470 11.028 -4.673 357 H ARG 44 H ARG 44 -4.928 4.175 -5.285 358 HA ARG 44 HA ARG 44 -5.698 5.977 -3.194 359 HB2 ARG 44 HB2 ARG 44 -7.363 3.964 -4.754 360 HB3 ARG 44 HB3 ARG 44 -8.027 5.197 -3.680 361 HG2 ARG 44 HG2 ARG 44 -7.056 6.969 -5.112 362 HG3 ARG 44 HG3 ARG 44 -6.402 5.736 -6.192 363 HD2 ARG 44 HD2 ARG 44 -8.735 4.971 -6.669 364 HD3 ARG 44 HD3 ARG 44 -9.344 6.286 -5.650 365 HE ARG 44 HE ARG 44 -7.567 7.098 -7.795 366 HH11 ARG 44 HH11 ARG 44 -10.894 6.628 -6.940 367 HH12 ARG 44 HH12 ARG 44 -11.456 7.672 -8.195 368 HH21 ARG 44 HH21 ARG 44 -8.296 8.368 -9.379 369 HH22 ARG 44 HH22 ARG 44 -9.995 8.631 -9.580 370 H LEU 45 H LEU 45 -5.485 2.437 -3.386 371 HA LEU 45 HA LEU 45 -6.672 1.887 -0.846 372 HB2 LEU 45 HB2 LEU 45 -4.734 0.211 -2.481 373 HB3 LEU 45 HB3 LEU 45 -5.651 -0.379 -1.103 374 HG LEU 45 HG LEU 45 -6.835 0.578 -3.744 375 HD11 LEU 45 HD11 LEU 45 -6.651 -2.236 -2.634 376 HD12 LEU 45 HD12 LEU 45 -5.722 -1.580 -3.982 377 HD13 LEU 45 HD13 LEU 45 -7.469 -1.757 -4.126 378 HD21 LEU 45 HD21 LEU 45 -8.353 1.108 -1.897 379 HD22 LEU 45 HD22 LEU 45 -8.284 -0.563 -1.334 380 HD23 LEU 45 HD23 LEU 45 -9.010 -0.186 -2.896 381 H VAL 46 H VAL 46 -3.287 2.325 -1.886 382 HA VAL 46 HA VAL 46 -2.045 1.957 0.649 383 HB VAL 46 HB VAL 46 -1.076 3.397 -1.859 384 HG11 VAL 46 HG11 VAL 46 0.126 4.367 0.056 385 HG12 VAL 46 HG12 VAL 46 1.211 3.334 -0.872 386 HG13 VAL 46 HG13 VAL 46 0.530 2.753 0.648 387 HG21 VAL 46 HG21 VAL 46 0.337 1.382 -2.174 388 HG22 VAL 46 HG22 VAL 46 -1.375 0.957 -2.123 389 HG23 VAL 46 HG23 VAL 46 -0.352 0.667 -0.713 390 H HIS 47 H HIS 47 -3.421 4.805 -0.950 391 HA HIS 47 HA HIS 47 -2.645 6.836 0.842 392 HB2 HIS 47 HB2 HIS 47 -3.834 7.156 -1.382 393 HB3 HIS 47 HB3 HIS 47 -5.326 6.639 -0.616 394 HD1 HIS 47 HD1 HIS 47 -4.817 9.443 -1.973 395 HD2 HIS 47 HD2 HIS 47 -4.748 8.725 2.113 396 HE1 HIS 47 HE1 HIS 47 -5.337 11.638 -0.893 397 HE2 HIS 47 HE2 HIS 47 -5.520 11.119 1.551 398 H THR 48 H THR 48 -5.429 4.602 0.909 399 HA THR 48 HA THR 48 -6.565 5.503 3.357 400 HB THR 48 HB THR 48 -6.857 2.792 1.996 401 HG1 THR 48 HG1 THR 48 -8.620 5.027 1.925 402 HG21 THR 48 HG21 THR 48 -8.988 2.597 3.271 403 HG22 THR 48 HG22 THR 48 -8.597 4.080 4.143 404 HG23 THR 48 HG23 THR 48 -7.588 2.644 4.348 405 H MET 49 H MET 49 -4.173 2.897 2.641 406 HA MET 49 HA MET 49 -3.897 1.779 5.224 407 HB2 MET 49 HB2 MET 49 -1.682 2.145 3.157 408 HB3 MET 49 HB3 MET 49 -1.641 1.027 4.516 409 HG2 MET 49 HG2 MET 49 -3.452 -0.260 3.536 410 HG3 MET 49 HG3 MET 49 -3.586 0.906 2.220 411 HE1 MET 49 HE1 MET 49 -2.098 -1.951 0.176 412 HE2 MET 49 HE2 MET 49 -3.278 -0.639 0.240 413 HE3 MET 49 HE3 MET 49 -3.389 -1.982 1.379 414 H LYS 50 H LYS 50 -2.217 4.498 3.710 415 HA LYS 50 HA LYS 50 -0.512 5.239 5.822 416 HB2 LYS 50 HB2 LYS 50 -0.323 6.024 3.441 417 HB3 LYS 50 HB3 LYS 50 -1.734 7.040 3.686 418 HG2 LYS 50 HG2 LYS 50 -0.531 8.352 5.378 419 HG3 LYS 50 HG3 LYS 50 0.877 7.302 5.215 420 HD2 LYS 50 HD2 LYS 50 1.263 9.362 3.970 421 HD3 LYS 50 HD3 LYS 50 1.112 8.021 2.833 422 HE2 LYS 50 HE2 LYS 50 -0.101 9.982 2.005 423 HE3 LYS 50 HE3 LYS 50 -1.233 8.685 2.376 424 HZ1 LYS 50 HZ1 LYS 50 -1.953 10.894 3.145 425 HZ2 LYS 50 HZ2 LYS 50 -0.638 10.940 4.207 426 HZ3 LYS 50 HZ3 LYS 50 -1.835 9.768 4.399 427 H GLU 51 H GLU 51 -3.763 6.362 4.921 428 HA GLU 51 HA GLU 51 -4.192 8.255 6.928 429 HB2 GLU 51 HB2 GLU 51 -5.600 8.002 4.904 430 HB3 GLU 51 HB3 GLU 51 -6.193 6.453 5.500 431 HG2 GLU 51 HG2 GLU 51 -7.133 7.703 7.493 432 HG3 GLU 51 HG3 GLU 51 -6.722 9.198 6.662 433 H ILE 52 H ILE 52 -4.697 4.731 6.945 434 HA ILE 52 HA ILE 52 -6.065 4.390 9.377 435 HB ILE 52 HB ILE 52 -4.168 2.543 7.860 436 HG12 ILE 52 HG12 ILE 52 -7.202 2.419 8.196 437 HG13 ILE 52 HG13 ILE 52 -6.378 3.073 6.788 438 HG21 ILE 52 HG21 ILE 52 -5.794 1.765 10.312 439 HG22 ILE 52 HG22 ILE 52 -4.034 1.845 10.212 440 HG23 ILE 52 HG23 ILE 52 -4.913 0.643 9.270 441 HD11 ILE 52 HD11 ILE 52 -5.445 0.849 6.310 442 HD12 ILE 52 HD12 ILE 52 -7.206 0.844 6.355 443 HD13 ILE 52 HD13 ILE 52 -6.293 0.201 7.719 444 H THR 53 H THR 53 -2.539 4.121 8.758 445 HA THR 53 HA THR 53 -1.841 3.937 11.520 446 HB THR 53 HB THR 53 -0.317 2.917 10.005 447 HG1 THR 53 HG1 THR 53 1.012 5.261 10.834 448 HG21 THR 53 HG21 THR 53 1.009 4.149 8.333 449 HG22 THR 53 HG22 THR 53 0.099 5.617 8.697 450 HG23 THR 53 HG23 THR 53 -0.719 4.232 7.966 451 H GLU 54 H GLU 54 -2.247 6.735 9.382 452 HA GLU 54 HA GLU 54 -0.939 8.657 11.052 453 HB2 GLU 54 HB2 GLU 54 -3.020 8.991 8.865 454 HB3 GLU 54 HB3 GLU 54 -2.349 10.366 9.736 455 HG2 GLU 54 HG2 GLU 54 -0.102 9.795 8.935 456 HG3 GLU 54 HG3 GLU 54 -0.736 8.388 8.085 457 H THR 55 H THR 55 -4.368 7.633 10.791 458 HA THR 55 HA THR 55 -5.319 9.413 12.839 459 HB THR 55 HB THR 55 -6.868 8.527 11.105 460 HG1 THR 55 HG1 THR 55 -7.346 8.760 13.730 461 HG21 THR 55 HG21 THR 55 -6.080 6.187 10.970 462 HG22 THR 55 HG22 THR 55 -7.816 6.271 11.274 463 HG23 THR 55 HG23 THR 55 -6.707 5.881 12.592 464 H MET 56 H MET 56 -3.847 6.233 12.893 465 HA MET 56 HA MET 56 -4.274 5.719 15.701 466 HB2 MET 56 HB2 MET 56 -2.219 4.641 13.722 467 HB3 MET 56 HB3 MET 56 -2.310 4.106 15.394 468 HG2 MET 56 HG2 MET 56 -4.548 3.201 15.016 469 HG3 MET 56 HG3 MET 56 -4.529 3.807 13.354 470 HE1 MET 56 HE1 MET 56 -5.058 0.686 14.223 471 HE2 MET 56 HE2 MET 56 -4.167 -0.113 12.929 472 HE3 MET 56 HE3 MET 56 -5.166 1.297 12.574 473 H GLY 57 H GLY 57 -1.875 7.501 13.806 474 HA2 GLY 57 HA2 GLY 57 -0.869 9.474 14.822 475 HA3 GLY 57 HA3 GLY 57 -0.632 8.557 16.298 476 H PHE 58 H PHE 58 0.148 6.372 14.009 477 HA PHE 58 HA PHE 58 2.967 6.558 14.571 478 HB2 PHE 58 HB2 PHE 58 1.302 4.656 12.890 479 HB3 PHE 58 HB3 PHE 58 3.028 4.455 13.087 480 HD1 PHE 58 HD1 PHE 58 -0.257 4.286 14.764 481 HD2 PHE 58 HD2 PHE 58 3.929 3.548 15.189 482 HE1 PHE 58 HE1 PHE 58 -0.703 2.947 16.777 483 HE2 PHE 58 HE2 PHE 58 3.483 2.219 17.207 484 HZ PHE 58 HZ PHE 58 1.172 1.919 18.008 485 H SER 59 H SER 59 3.836 8.398 13.515 486 HA SER 59 HA SER 59 3.599 8.862 10.677 487 HB2 SER 59 HB2 SER 59 5.622 9.956 12.682 488 HB3 SER 59 HB3 SER 59 5.468 10.506 11.011 489 HG SER 59 HG SER 59 4.056 11.832 11.799 490 H SER 60 H SER 60 5.712 6.929 12.676 491 HA SER 60 HA SER 60 7.883 6.496 10.922 492 HB2 SER 60 HB2 SER 60 6.754 4.627 13.051 493 HB3 SER 60 HB3 SER 60 8.357 4.497 12.321 494 HG SER 60 HG SER 60 8.464 5.592 14.308 495 H VAL 61 H VAL 61 4.872 4.604 11.368 496 HA VAL 61 HA VAL 61 5.413 2.725 9.256 497 HB VAL 61 HB VAL 61 2.679 3.379 10.422 498 HG11 VAL 61 HG11 VAL 61 3.700 0.827 9.105 499 HG12 VAL 61 HG12 VAL 61 2.584 1.995 8.386 500 HG13 VAL 61 HG13 VAL 61 2.089 1.055 9.795 501 HG21 VAL 61 HG21 VAL 61 4.198 2.897 12.293 502 HG22 VAL 61 HG22 VAL 61 4.691 1.382 11.531 503 HG23 VAL 61 HG23 VAL 61 3.029 1.591 12.088 504 H ALA 62 H ALA 62 3.372 5.631 9.575 505 HA ALA 62 HA ALA 62 2.176 5.766 7.061 506 HB1 ALA 62 HB1 ALA 62 1.552 7.237 8.934 507 HB2 ALA 62 HB2 ALA 62 1.878 8.170 7.469 508 HB3 ALA 62 HB3 ALA 62 3.075 8.115 8.767 509 H LYS 63 H LYS 63 5.442 6.700 8.000 510 HA LYS 63 HA LYS 63 6.325 8.085 5.735 511 HB2 LYS 63 HB2 LYS 63 7.602 7.900 7.850 512 HB3 LYS 63 HB3 LYS 63 7.892 6.189 7.539 513 HG2 LYS 63 HG2 LYS 63 9.217 6.794 5.520 514 HG3 LYS 63 HG3 LYS 63 8.927 8.505 5.860 515 HD2 LYS 63 HD2 LYS 63 10.112 8.260 8.036 516 HD3 LYS 63 HD3 LYS 63 10.426 6.562 7.664 517 HE2 LYS 63 HE2 LYS 63 11.767 7.259 5.692 518 HE3 LYS 63 HE3 LYS 63 11.468 8.952 6.093 519 HZ1 LYS 63 HZ1 LYS 63 12.627 8.627 8.178 520 HZ2 LYS 63 HZ2 LYS 63 13.622 8.209 6.877 521 HZ3 LYS 63 HZ3 LYS 63 12.899 7.001 7.808 522 H VAL 64 H VAL 64 6.343 4.569 6.364 523 HA VAL 64 HA VAL 64 7.648 3.722 4.000 524 HB VAL 64 HB VAL 64 5.592 2.146 5.621 525 HG11 VAL 64 HG11 VAL 64 7.831 1.132 3.812 526 HG12 VAL 64 HG12 VAL 64 6.108 1.093 3.432 527 HG13 VAL 64 HG13 VAL 64 6.737 0.125 4.768 528 HG21 VAL 64 HG21 VAL 64 7.507 1.240 6.908 529 HG22 VAL 64 HG22 VAL 64 7.368 2.987 7.108 530 HG23 VAL 64 HG23 VAL 64 8.606 2.318 6.041 531 H LEU 65 H LEU 65 4.202 4.125 4.751 532 HA LEU 65 HA LEU 65 3.239 3.317 2.160 533 HB2 LEU 65 HB2 LEU 65 1.894 4.729 4.493 534 HB3 LEU 65 HB3 LEU 65 1.045 4.338 3.013 535 HG LEU 65 HG LEU 65 0.512 2.686 4.716 536 HD11 LEU 65 HD11 LEU 65 2.313 1.459 2.599 537 HD12 LEU 65 HD12 LEU 65 0.611 1.888 2.400 538 HD13 LEU 65 HD13 LEU 65 1.070 0.615 3.529 539 HD21 LEU 65 HD21 LEU 65 2.203 1.164 5.676 540 HD22 LEU 65 HD22 LEU 65 2.450 2.844 6.149 541 HD23 LEU 65 HD23 LEU 65 3.481 2.124 4.909 542 H HIS 66 H HIS 66 4.277 6.348 3.557 543 HA HIS 66 HA HIS 66 3.126 8.127 1.621 544 HB2 HIS 66 HB2 HIS 66 3.881 8.768 3.962 545 HB3 HIS 66 HB3 HIS 66 5.541 8.661 3.406 546 HD1 HIS 66 HD1 HIS 66 6.437 10.616 1.992 547 HD2 HIS 66 HD2 HIS 66 2.427 11.011 3.003 548 HE1 HIS 66 HE1 HIS 66 5.836 12.979 1.421 549 HE2 HIS 66 HE2 HIS 66 3.412 13.204 2.047 550 H THR 67 H THR 67 6.114 6.232 1.805 551 HA THR 67 HA THR 67 7.459 7.536 -0.400 552 HB THR 67 HB THR 67 9.005 5.642 -0.506 553 HG1 THR 67 HG1 THR 67 7.704 4.241 1.551 554 HG21 THR 67 HG21 THR 67 8.370 6.297 2.384 555 HG22 THR 67 HG22 THR 67 9.428 7.223 1.320 556 HG23 THR 67 HG23 THR 67 9.872 5.585 1.798 557 H ILE 68 H ILE 68 5.111 4.929 -0.118 558 HA ILE 68 HA ILE 68 5.330 3.991 -2.839 559 HB ILE 68 HB ILE 68 2.893 3.546 -1.071 560 HG12 ILE 68 HG12 ILE 68 4.675 2.923 0.405 561 HG13 ILE 68 HG13 ILE 68 4.079 1.416 -0.274 562 HG21 ILE 68 HG21 ILE 68 2.705 1.409 -2.300 563 HG22 ILE 68 HG22 ILE 68 4.146 1.810 -3.237 564 HG23 ILE 68 HG23 ILE 68 2.685 2.787 -3.403 565 HD11 ILE 68 HD11 ILE 68 6.573 2.880 -1.143 566 HD12 ILE 68 HD12 ILE 68 5.985 1.338 -1.789 567 HD13 ILE 68 HD13 ILE 68 6.487 1.461 -0.101 568 H MET 69 H MET 69 3.158 6.173 -1.088 569 HA MET 69 HA MET 69 1.416 7.039 -3.078 570 HB2 MET 69 HB2 MET 69 2.793 8.660 -0.900 571 HB3 MET 69 HB3 MET 69 1.450 9.263 -1.865 572 HG2 MET 69 HG2 MET 69 1.206 6.763 -0.214 573 HG3 MET 69 HG3 MET 69 0.945 8.366 0.467 574 HE1 MET 69 HE1 MET 69 -1.077 9.935 -0.140 575 HE2 MET 69 HE2 MET 69 -2.206 9.619 -1.456 576 HE3 MET 69 HE3 MET 69 -0.518 9.988 -1.815 577 H ASN 70 H ASN 70 4.659 8.292 -2.307 578 HA ASN 70 HA ASN 70 4.915 10.200 -4.385 579 HB2 ASN 70 HB2 ASN 70 6.301 10.043 -2.268 580 HB3 ASN 70 HB3 ASN 70 7.131 8.649 -2.968 581 HD21 ASN 70 HD21 ASN 70 6.173 11.693 -4.579 582 HD22 ASN 70 HD22 ASN 70 7.779 12.166 -4.985 583 H LEU 71 H LEU 71 5.771 6.798 -4.172 584 HA LEU 71 HA LEU 71 7.436 6.552 -6.443 585 HB2 LEU 71 HB2 LEU 71 7.226 5.057 -4.360 586 HB3 LEU 71 HB3 LEU 71 5.808 4.347 -5.105 587 HG LEU 71 HG LEU 71 8.554 4.266 -6.405 588 HD11 LEU 71 HD11 LEU 71 8.741 3.169 -4.210 589 HD12 LEU 71 HD12 LEU 71 8.829 1.976 -5.504 590 HD13 LEU 71 HD13 LEU 71 7.339 2.158 -4.573 591 HD21 LEU 71 HD21 LEU 71 6.062 2.579 -6.844 592 HD22 LEU 71 HD22 LEU 71 7.617 2.326 -7.643 593 HD23 LEU 71 HD23 LEU 71 6.704 3.802 -7.943 594 H VAL 72 H VAL 72 4.063 5.473 -5.963 595 HA VAL 72 HA VAL 72 3.504 4.836 -8.666 596 HB VAL 72 HB VAL 72 1.509 5.476 -6.447 597 HG11 VAL 72 HG11 VAL 72 1.157 3.861 -9.004 598 HG12 VAL 72 HG12 VAL 72 0.459 5.450 -8.676 599 HG13 VAL 72 HG13 VAL 72 -0.061 4.051 -7.737 600 HG21 VAL 72 HG21 VAL 72 2.724 2.782 -7.195 601 HG22 VAL 72 HG22 VAL 72 1.450 3.037 -6.000 602 HG23 VAL 72 HG23 VAL 72 3.062 3.695 -5.720 603 H ASP 73 H ASP 73 3.144 7.827 -6.795 604 HA ASP 73 HA ASP 73 1.579 9.413 -8.501 605 HB2 ASP 73 HB2 ASP 73 2.397 10.020 -6.183 606 HB3 ASP 73 HB3 ASP 73 3.980 10.346 -6.861 607 H LYS 74 H LYS 74 5.051 8.698 -8.604 608 HA LYS 74 HA LYS 74 5.755 10.349 -10.817 609 HB2 LYS 74 HB2 LYS 74 7.110 7.914 -9.615 610 HB3 LYS 74 HB3 LYS 74 7.818 8.888 -10.903 611 HG2 LYS 74 HG2 LYS 74 7.689 10.886 -9.383 612 HG3 LYS 74 HG3 LYS 74 7.155 9.803 -8.090 613 HD2 LYS 74 HD2 LYS 74 9.280 8.534 -8.303 614 HD3 LYS 74 HD3 LYS 74 9.802 9.646 -9.574 615 HE2 LYS 74 HE2 LYS 74 9.626 11.523 -7.901 616 HE3 LYS 74 HE3 LYS 74 9.294 10.320 -6.653 617 HZ1 LYS 74 HZ1 LYS 74 11.609 10.927 -6.672 618 HZ2 LYS 74 HZ2 LYS 74 11.753 10.513 -8.303 619 HZ3 LYS 74 HZ3 LYS 74 11.448 9.315 -7.151 620 H MET 75 H MET 75 4.478 7.080 -10.602 621 HA MET 75 HA MET 75 5.085 6.216 -13.253 622 HB2 MET 75 HB2 MET 75 3.035 5.261 -11.220 623 HB3 MET 75 HB3 MET 75 3.322 4.445 -12.753 624 HG2 MET 75 HG2 MET 75 5.610 3.949 -12.114 625 HG3 MET 75 HG3 MET 75 5.429 4.876 -10.619 626 HE1 MET 75 HE1 MET 75 6.532 2.366 -9.760 627 HE2 MET 75 HE2 MET 75 6.195 1.599 -11.315 628 HE3 MET 75 HE3 MET 75 5.572 0.887 -9.827 629 H LEU 76 H LEU 76 2.295 7.891 -11.832 630 HA LEU 76 HA LEU 76 0.457 7.795 -13.945 631 HB2 LEU 76 HB2 LEU 76 0.901 9.638 -11.625 632 HB3 LEU 76 HB3 LEU 76 -0.124 10.251 -12.910 633 HG LEU 76 HG LEU 76 -1.618 8.252 -12.642 634 HD11 LEU 76 HD11 LEU 76 -0.060 6.620 -11.732 635 HD12 LEU 76 HD12 LEU 76 -1.435 6.814 -10.648 636 HD13 LEU 76 HD13 LEU 76 0.113 7.565 -10.251 637 HD21 LEU 76 HD21 LEU 76 -2.184 10.353 -11.520 638 HD22 LEU 76 HD22 LEU 76 -1.235 9.881 -10.110 639 HD23 LEU 76 HD23 LEU 76 -2.684 8.971 -10.545 640 H ASN 77 H ASN 77 3.236 9.943 -13.546 641 HA ASN 77 HA ASN 77 2.676 11.272 -16.116 642 HB2 ASN 77 HB2 ASN 77 4.845 12.595 -15.452 643 HB3 ASN 77 HB3 ASN 77 3.338 12.931 -14.619 644 HD21 ASN 77 HD21 ASN 77 3.114 12.287 -12.458 645 HD22 ASN 77 HD22 ASN 77 4.470 11.844 -11.492 646 H SER 78 H SER 78 3.781 10.915 -17.920 647 HA SER 78 HA SER 78 5.151 8.397 -18.219 648 HB2 SER 78 HB2 SER 78 3.446 9.226 -19.831 649 HB3 SER 78 HB3 SER 78 4.515 10.549 -20.282 650 HG SER 78 HG SER 78 5.889 9.114 -21.234 651 H GLU 79 H GLU 79 6.394 11.245 -17.188 652 HA GLU 79 HA GLU 79 8.802 11.488 -18.753 653 HB2 GLU 79 HB2 GLU 79 9.457 13.158 -17.068 654 HB3 GLU 79 HB3 GLU 79 7.779 13.397 -17.532 655 HG2 GLU 79 HG2 GLU 79 7.007 12.323 -15.491 656 HG3 GLU 79 HG3 GLU 79 8.669 12.000 -15.012 657 H ILE 80 H ILE 80 7.838 9.624 -15.958 658 HA ILE 80 HA ILE 80 10.567 9.068 -15.036 659 HB ILE 80 HB ILE 80 7.835 8.361 -13.893 660 HG12 ILE 80 HG12 ILE 80 8.510 10.791 -13.878 661 HG13 ILE 80 HG13 ILE 80 8.207 10.145 -12.293 662 HG21 ILE 80 HG21 ILE 80 8.997 7.669 -11.805 663 HG22 ILE 80 HG22 ILE 80 10.549 7.835 -12.629 664 HG23 ILE 80 HG23 ILE 80 9.388 6.623 -13.172 665 HD11 ILE 80 HD11 ILE 80 10.926 10.627 -13.522 666 HD12 ILE 80 HD12 ILE 80 10.638 9.975 -11.904 667 HD13 ILE 80 HD13 ILE 80 10.135 11.617 -12.297 668 H LYS 81 H LYS 81 7.796 7.325 -16.422 669 HA LYS 81 HA LYS 81 7.538 5.349 -17.482 670 HB2 LYS 81 HB2 LYS 81 9.688 5.751 -18.621 671 HB3 LYS 81 HB3 LYS 81 10.563 5.064 -17.261 672 HG2 LYS 81 HG2 LYS 81 9.410 2.865 -17.735 673 HG3 LYS 81 HG3 LYS 81 8.755 3.594 -19.204 674 HD2 LYS 81 HD2 LYS 81 11.704 3.229 -18.539 675 HD3 LYS 81 HD3 LYS 81 10.775 2.257 -19.682 676 HE2 LYS 81 HE2 LYS 81 10.462 4.224 -21.125 677 HE3 LYS 81 HE3 LYS 81 11.320 5.240 -19.965 678 HZ1 LYS 81 HZ1 LYS 81 13.312 3.995 -20.357 679 HZ2 LYS 81 HZ2 LYS 81 12.698 4.526 -21.840 680 HZ3 LYS 81 HZ3 LYS 81 12.501 2.913 -21.372 681 H ILE 82 H ILE 82 6.982 3.247 -16.894 682 HA ILE 82 HA ILE 82 7.307 2.592 -14.050 683 HB ILE 82 HB ILE 82 5.448 1.248 -16.080 684 HG12 ILE 82 HG12 ILE 82 3.627 2.491 -14.640 685 HG13 ILE 82 HG13 ILE 82 4.943 3.544 -14.145 686 HG21 ILE 82 HG21 ILE 82 4.316 0.280 -14.108 687 HG22 ILE 82 HG22 ILE 82 5.518 1.018 -13.047 688 HG23 ILE 82 HG23 ILE 82 6.004 -0.228 -14.198 689 HD11 ILE 82 HD11 ILE 82 3.648 4.512 -15.937 690 HD12 ILE 82 HD12 ILE 82 3.971 3.113 -16.962 691 HD13 ILE 82 HD13 ILE 82 5.293 4.182 -16.482 692 H THR 83 H THR 83 9.288 1.684 -13.845 693 HA THR 83 HA THR 83 10.228 -0.412 -15.597 694 HB THR 83 HB THR 83 11.416 0.680 -13.005 695 HG1 THR 83 HG1 THR 83 12.527 2.014 -14.289 696 HG21 THR 83 HG21 THR 83 12.728 -1.139 -15.067 697 HG22 THR 83 HG22 THR 83 12.273 -1.612 -13.427 698 HG23 THR 83 HG23 THR 83 13.531 -0.400 -13.679 699 H SER 84 H SER 84 10.242 -2.612 -15.204 700 HA SER 84 HA SER 84 8.348 -3.821 -13.547 701 HB2 SER 84 HB2 SER 84 9.475 -5.970 -14.129 702 HB3 SER 84 HB3 SER 84 9.241 -4.934 -15.536 703 HG SER 84 HG SER 84 11.607 -5.627 -14.203 704 H ASP 85 H ASP 85 11.842 -3.452 -13.003 705 HA ASP 85 HA ASP 85 12.059 -4.814 -10.534 706 HB2 ASP 85 HB2 ASP 85 13.737 -2.477 -11.508 707 HB3 ASP 85 HB3 ASP 85 14.204 -3.676 -10.304 708 H LEU 86 H LEU 86 11.169 -1.507 -11.316 709 HA LEU 86 HA LEU 86 11.172 -0.433 -8.668 710 HB2 LEU 86 HB2 LEU 86 11.301 0.982 -10.697 711 HB3 LEU 86 HB3 LEU 86 9.687 0.468 -11.161 712 HG LEU 86 HG LEU 86 8.864 1.502 -8.963 713 HD11 LEU 86 HD11 LEU 86 10.987 1.682 -7.785 714 HD12 LEU 86 HD12 LEU 86 10.234 3.264 -7.947 715 HD13 LEU 86 HD13 LEU 86 11.594 2.828 -8.986 716 HD21 LEU 86 HD21 LEU 86 10.019 3.369 -11.077 717 HD22 LEU 86 HD22 LEU 86 8.753 3.777 -9.915 718 HD23 LEU 86 HD23 LEU 86 8.453 2.554 -11.145 719 H ILE 87 H ILE 87 8.718 -2.031 -10.686 720 HA ILE 87 HA ILE 87 6.477 -1.836 -8.969 721 HB ILE 87 HB ILE 87 7.169 -4.163 -10.830 722 HG12 ILE 87 HG12 ILE 87 5.496 -1.700 -11.509 723 HG13 ILE 87 HG13 ILE 87 7.175 -1.911 -11.986 724 HG21 ILE 87 HG21 ILE 87 4.447 -3.287 -9.789 725 HG22 ILE 87 HG22 ILE 87 5.331 -4.730 -9.287 726 HG23 ILE 87 HG23 ILE 87 4.737 -4.592 -10.942 727 HD11 ILE 87 HD11 ILE 87 5.661 -2.403 -13.814 728 HD12 ILE 87 HD12 ILE 87 4.861 -3.649 -12.858 729 HD13 ILE 87 HD13 ILE 87 6.546 -3.853 -13.346 730 H ASP 88 H ASP 88 9.313 -3.978 -8.975 731 HA ASP 88 HA ASP 88 8.372 -5.855 -7.013 732 HB2 ASP 88 HB2 ASP 88 11.179 -5.242 -8.003 733 HB3 ASP 88 HB3 ASP 88 10.832 -6.499 -6.823 734 H LYS 89 H LYS 89 9.901 -2.689 -6.840 735 HA LYS 89 HA LYS 89 10.701 -2.766 -4.101 736 HB2 LYS 89 HB2 LYS 89 9.981 -0.458 -5.937 737 HB3 LYS 89 HB3 LYS 89 10.508 -0.219 -4.276 738 HG2 LYS 89 HG2 LYS 89 12.640 -1.336 -4.759 739 HG3 LYS 89 HG3 LYS 89 12.125 -1.621 -6.426 740 HD2 LYS 89 HD2 LYS 89 12.088 0.780 -6.867 741 HD3 LYS 89 HD3 LYS 89 12.452 1.135 -5.175 742 HE2 LYS 89 HE2 LYS 89 14.302 -0.445 -6.981 743 HE3 LYS 89 HE3 LYS 89 14.419 1.303 -6.762 744 HZ1 LYS 89 HZ1 LYS 89 14.709 -0.757 -4.641 745 HZ2 LYS 89 HZ2 LYS 89 14.747 0.914 -4.380 746 HZ3 LYS 89 HZ3 LYS 89 15.948 0.178 -5.314 747 H VAL 90 H VAL 90 7.694 -1.805 -5.724 748 HA VAL 90 HA VAL 90 6.197 -0.872 -3.522 749 HB VAL 90 HB VAL 90 5.051 -2.273 -5.987 750 HG11 VAL 90 HG11 VAL 90 3.354 -1.862 -4.262 751 HG12 VAL 90 HG12 VAL 90 3.077 -0.797 -5.640 752 HG13 VAL 90 HG13 VAL 90 3.820 -0.162 -4.170 753 HG21 VAL 90 HG21 VAL 90 6.630 -0.562 -6.749 754 HG22 VAL 90 HG22 VAL 90 5.860 0.649 -5.720 755 HG23 VAL 90 HG23 VAL 90 4.976 -0.043 -7.082 756 H LYS 91 H LYS 91 6.667 -4.130 -4.818 757 HA LYS 91 HA LYS 91 4.647 -5.538 -3.441 758 HB2 LYS 91 HB2 LYS 91 7.340 -6.598 -4.384 759 HB3 LYS 91 HB3 LYS 91 5.943 -7.583 -3.957 760 HG2 LYS 91 HG2 LYS 91 4.691 -6.644 -5.863 761 HG3 LYS 91 HG3 LYS 91 6.078 -5.629 -6.273 762 HD2 LYS 91 HD2 LYS 91 7.442 -7.714 -6.592 763 HD3 LYS 91 HD3 LYS 91 5.982 -8.670 -6.319 764 HE2 LYS 91 HE2 LYS 91 4.940 -7.634 -8.299 765 HE3 LYS 91 HE3 LYS 91 6.389 -6.657 -8.559 766 HZ1 LYS 91 HZ1 LYS 91 6.214 -9.613 -8.668 767 HZ2 LYS 91 HZ2 LYS 91 7.635 -8.717 -8.844 768 HZ3 LYS 91 HZ3 LYS 91 6.397 -8.568 -9.984 769 H LYS 92 H LYS 92 8.120 -5.103 -2.549 770 HA LYS 92 HA LYS 92 7.943 -6.781 -0.249 771 HB2 LYS 92 HB2 LYS 92 10.072 -6.458 -1.456 772 HB3 LYS 92 HB3 LYS 92 10.082 -4.762 -0.993 773 HG2 LYS 92 HG2 LYS 92 11.603 -6.022 0.444 774 HG3 LYS 92 HG3 LYS 92 10.235 -5.396 1.377 775 HD2 LYS 92 HD2 LYS 92 9.145 -7.721 1.034 776 HD3 LYS 92 HD3 LYS 92 10.729 -8.261 0.470 777 HE2 LYS 92 HE2 LYS 92 10.106 -7.105 3.209 778 HE3 LYS 92 HE3 LYS 92 10.353 -8.810 2.845 779 HZ1 LYS 92 HZ1 LYS 92 12.624 -8.299 2.210 780 HZ2 LYS 92 HZ2 LYS 92 12.318 -7.820 3.801 781 HZ3 LYS 92 HZ3 LYS 92 12.388 -6.664 2.567 782 H LYS 93 H LYS 93 7.558 -3.345 -0.729 783 HA LYS 93 HA LYS 93 7.745 -2.408 1.922 784 HB2 LYS 93 HB2 LYS 93 6.214 -1.325 -0.458 785 HB3 LYS 93 HB3 LYS 93 6.425 -0.439 1.051 786 HG2 LYS 93 HG2 LYS 93 8.739 -1.412 -0.658 787 HG3 LYS 93 HG3 LYS 93 8.008 0.186 -0.812 788 HD2 LYS 93 HD2 LYS 93 8.597 0.642 1.585 789 HD3 LYS 93 HD3 LYS 93 9.422 -0.923 1.646 790 HE2 LYS 93 HE2 LYS 93 10.982 -0.187 -0.107 791 HE3 LYS 93 HE3 LYS 93 10.128 1.352 -0.246 792 HZ1 LYS 93 HZ1 LYS 93 11.597 0.371 2.130 793 HZ2 LYS 93 HZ2 LYS 93 10.715 1.809 2.059 794 HZ3 LYS 93 HZ3 LYS 93 12.076 1.608 1.082 795 H LEU 94 H LEU 94 4.804 -3.438 0.102 796 HA LEU 94 HA LEU 94 3.001 -2.995 2.301 797 HB2 LEU 94 HB2 LEU 94 1.337 -4.267 0.930 798 HB3 LEU 94 HB3 LEU 94 2.093 -2.927 0.095 799 HG LEU 94 HG LEU 94 3.670 -4.728 -0.961 800 HD11 LEU 94 HD11 LEU 94 3.099 -6.642 0.432 801 HD12 LEU 94 HD12 LEU 94 2.696 -6.962 -1.249 802 HD13 LEU 94 HD13 LEU 94 1.418 -6.563 -0.102 803 HD21 LEU 94 HD21 LEU 94 2.035 -3.466 -2.247 804 HD22 LEU 94 HD22 LEU 94 0.762 -4.600 -1.788 805 HD23 LEU 94 HD23 LEU 94 2.107 -5.140 -2.796 806 H ASP 95 H ASP 95 4.919 -5.740 1.218 807 HA ASP 95 HA ASP 95 3.960 -7.742 2.955 808 HB2 ASP 95 HB2 ASP 95 6.658 -7.249 1.645 809 HB3 ASP 95 HB3 ASP 95 6.463 -8.589 2.764 810 H MET 96 H MET 96 6.473 -5.282 3.356 811 HA MET 96 HA MET 96 7.394 -5.840 5.935 812 HB2 MET 96 HB2 MET 96 8.654 -4.354 4.559 813 HB3 MET 96 HB3 MET 96 7.273 -3.318 4.264 814 HG2 MET 96 HG2 MET 96 7.385 -2.464 6.549 815 HG3 MET 96 HG3 MET 96 8.709 -3.570 6.915 816 HE1 MET 96 HE1 MET 96 8.869 -0.408 7.450 817 HE2 MET 96 HE2 MET 96 10.505 -0.079 6.877 818 HE3 MET 96 HE3 MET 96 10.177 -1.537 7.809 819 H VAL 97 H VAL 97 4.572 -3.940 4.904 820 HA VAL 97 HA VAL 97 3.758 -2.888 7.406 821 HB VAL 97 HB VAL 97 2.050 -3.656 4.993 822 HG11 VAL 97 HG11 VAL 97 1.313 -1.776 7.277 823 HG12 VAL 97 HG12 VAL 97 0.640 -3.386 7.020 824 HG13 VAL 97 HG13 VAL 97 0.332 -2.110 5.843 825 HG21 VAL 97 HG21 VAL 97 3.806 -2.028 4.419 826 HG22 VAL 97 HG22 VAL 97 3.290 -0.974 5.738 827 HG23 VAL 97 HG23 VAL 97 2.216 -1.260 4.366 828 H THR 98 H THR 98 2.805 -5.925 5.760 829 HA THR 98 HA THR 98 1.157 -6.990 7.816 830 HB THR 98 HB THR 98 2.736 -8.519 5.695 831 HG1 THR 98 HG1 THR 98 1.051 -8.147 4.358 832 HG21 THR 98 HG21 THR 98 1.884 -10.026 7.471 833 HG22 THR 98 HG22 THR 98 1.004 -10.279 5.963 834 HG23 THR 98 HG23 THR 98 0.262 -9.355 7.268 835 H ARG 99 H ARG 99 4.592 -7.419 7.080 836 HA ARG 99 HA ARG 99 5.151 -9.418 9.027 837 HB2 ARG 99 HB2 ARG 99 7.029 -7.667 7.394 838 HB3 ARG 99 HB3 ARG 99 7.568 -8.981 8.437 839 HG2 ARG 99 HG2 ARG 99 5.772 -9.281 6.005 840 HG3 ARG 99 HG3 ARG 99 7.494 -9.655 6.070 841 HD2 ARG 99 HD2 ARG 99 7.046 -11.419 7.747 842 HD3 ARG 99 HD3 ARG 99 5.323 -11.037 7.690 843 HE ARG 99 HE ARG 99 5.290 -11.803 5.388 844 HH11 ARG 99 HH11 ARG 99 8.118 -12.732 7.155 845 HH12 ARG 99 HH12 ARG 99 8.426 -14.094 6.141 846 HH21 ARG 99 HH21 ARG 99 5.708 -13.540 4.103 847 HH22 ARG 99 HH22 ARG 99 7.091 -14.529 4.419 848 H GLU 100 H GLU 100 5.189 -5.920 9.122 849 HA GLU 100 HA GLU 100 6.777 -5.539 11.448 850 HB2 GLU 100 HB2 GLU 100 6.084 -3.722 9.847 851 HB3 GLU 100 HB3 GLU 100 4.441 -3.835 10.471 852 HG2 GLU 100 HG2 GLU 100 5.394 -3.259 12.761 853 HG3 GLU 100 HG3 GLU 100 6.923 -2.921 11.955 854 H LEU 101 H LEU 101 3.243 -5.881 10.998 855 HA LEU 101 HA LEU 101 2.509 -5.873 13.754 856 HB2 LEU 101 HB2 LEU 101 0.935 -5.400 11.882 857 HB3 LEU 101 HB3 LEU 101 1.042 -7.078 11.381 858 HG LEU 101 HG LEU 101 -0.020 -7.782 13.536 859 HD11 LEU 101 HD11 LEU 101 0.685 -5.923 14.975 860 HD12 LEU 101 HD12 LEU 101 -1.062 -6.135 15.022 861 HD13 LEU 101 HD13 LEU 101 -0.363 -4.815 14.082 862 HD21 LEU 101 HD21 LEU 101 -1.654 -5.753 11.973 863 HD22 LEU 101 HD22 LEU 101 -2.298 -7.028 13.011 864 HD23 LEU 101 HD23 LEU 101 -1.420 -7.450 11.543 865 H ASP 102 H ASP 102 3.235 -8.498 11.468 866 HA ASP 102 HA ASP 102 2.887 -10.751 13.101 867 HB2 ASP 102 HB2 ASP 102 3.225 -10.939 10.692 868 HB3 ASP 102 HB3 ASP 102 4.819 -10.209 10.812 869 H LYS 103 H LYS 103 5.615 -8.535 12.801 870 HA LYS 103 HA LYS 103 7.423 -9.948 14.549 871 HB2 LYS 103 HB2 LYS 103 8.080 -8.467 12.624 872 HB3 LYS 103 HB3 LYS 103 7.514 -7.079 13.540 873 HG2 LYS 103 HG2 LYS 103 9.262 -7.457 15.229 874 HG3 LYS 103 HG3 LYS 103 9.802 -8.902 14.364 875 HD2 LYS 103 HD2 LYS 103 9.849 -6.053 13.280 876 HD3 LYS 103 HD3 LYS 103 11.252 -6.951 13.859 877 HE2 LYS 103 HE2 LYS 103 11.077 -8.532 12.027 878 HE3 LYS 103 HE3 LYS 103 9.533 -7.854 11.511 879 HZ1 LYS 103 HZ1 LYS 103 10.688 -5.783 10.991 880 HZ2 LYS 103 HZ2 LYS 103 11.296 -7.088 10.103 881 HZ3 LYS 103 HZ3 LYS 103 12.163 -6.486 11.426 882 H LYS 104 H LYS 104 4.882 -7.606 14.996 883 HA LYS 104 HA LYS 104 5.617 -6.851 17.683 884 HB2 LYS 104 HB2 LYS 104 3.124 -6.422 16.028 885 HB3 LYS 104 HB3 LYS 104 3.227 -5.898 17.710 886 HG2 LYS 104 HG2 LYS 104 4.957 -4.333 17.248 887 HG3 LYS 104 HG3 LYS 104 5.301 -5.044 15.669 888 HD2 LYS 104 HD2 LYS 104 3.134 -4.250 14.839 889 HD3 LYS 104 HD3 LYS 104 2.764 -3.528 16.406 890 HE2 LYS 104 HE2 LYS 104 4.657 -1.982 16.171 891 HE3 LYS 104 HE3 LYS 104 5.137 -2.748 14.658 892 HZ1 LYS 104 HZ1 LYS 104 2.568 -1.333 15.086 893 HZ2 LYS 104 HZ2 LYS 104 3.150 -1.960 13.625 894 HZ3 LYS 104 HZ3 LYS 104 3.935 -0.657 14.353 895 H VAL 105 H VAL 105 3.650 -9.391 16.236 896 HA VAL 105 HA VAL 105 2.602 -10.324 18.817 897 HB VAL 105 HB VAL 105 2.275 -11.570 16.044 898 HG11 VAL 105 HG11 VAL 105 0.365 -12.808 17.034 899 HG12 VAL 105 HG12 VAL 105 0.725 -12.109 18.612 900 HG13 VAL 105 HG13 VAL 105 1.878 -13.207 17.852 901 HG21 VAL 105 HG21 VAL 105 1.297 -9.309 16.090 902 HG22 VAL 105 HG22 VAL 105 0.375 -9.717 17.537 903 HG23 VAL 105 HG23 VAL 105 0.021 -10.529 16.010 904 H SER 106 H SER 106 4.362 -11.977 16.152 905 HA SER 106 HA SER 106 5.285 -14.175 17.721 906 HB2 SER 106 HB2 SER 106 4.910 -14.392 15.303 907 HB3 SER 106 HB3 SER 106 6.161 -13.198 14.969 908 HG SER 106 HG SER 106 7.301 -14.981 14.774 909 H GLY 107 H GLY 107 6.650 -11.028 17.080 910 HA2 GLY 107 HA2 GLY 107 9.418 -11.702 17.548 911 HA3 GLY 107 HA3 GLY 107 8.750 -10.098 17.350 912 H SER 108 H SER 108 8.875 -12.765 19.707 913 HA SER 108 HA SER 108 9.519 -10.816 21.856 914 HB2 SER 108 HB2 SER 108 7.235 -11.792 22.210 915 HB3 SER 108 HB3 SER 108 7.938 -13.409 22.219 916 HG SER 108 HG SER 108 8.118 -13.034 24.289 917 H TYR 109 H TYR 109 11.721 -11.061 21.594 918 HA TYR 109 HA TYR 109 12.941 -13.701 22.163 919 HB2 TYR 109 HB2 TYR 109 13.914 -11.810 19.964 920 HB3 TYR 109 HB3 TYR 109 14.598 -13.378 20.377 921 HD1 TYR 109 HD2 TYR 109 12.918 -15.444 20.160 922 HD2 TYR 109 HD1 TYR 109 12.393 -11.701 18.161 923 HE1 TYR 109 HE2 TYR 109 11.449 -16.523 18.515 924 HE2 TYR 109 HE1 TYR 109 10.915 -12.788 16.521 925 HH TYR 109 HH TYR 109 9.594 -15.843 16.971 926 H LEU 110 H LEU 110 15.445 -13.345 22.405 927 HA LEU 110 HA LEU 110 17.155 -12.639 23.694 928 HB2 LEU 110 HB2 LEU 110 16.129 -9.917 22.817 929 HB3 LEU 110 HB3 LEU 110 17.594 -10.105 23.754 930 HG LEU 110 HG LEU 110 18.205 -9.752 21.451 931 HD11 LEU 110 HD11 LEU 110 19.633 -11.298 22.659 932 HD12 LEU 110 HD12 LEU 110 19.566 -11.713 20.950 933 HD13 LEU 110 HD13 LEU 110 18.654 -12.668 22.122 934 HD21 LEU 110 HD21 LEU 110 17.535 -11.187 19.584 935 HD22 LEU 110 HD22 LEU 110 16.131 -10.435 20.338 936 HD23 LEU 110 HD23 LEU 110 16.498 -12.131 20.661 937 H VAL 111 H VAL 111 15.673 -13.624 25.431 938 HA VAL 111 HA VAL 111 14.959 -11.633 27.516 939 HB VAL 111 HB VAL 111 13.344 -13.230 28.436 940 HG11 VAL 111 HG11 VAL 111 12.555 -11.709 26.647 941 HG12 VAL 111 HG12 VAL 111 11.680 -13.241 26.607 942 HG13 VAL 111 HG13 VAL 111 12.955 -12.923 25.428 943 HG21 VAL 111 HG21 VAL 111 14.480 -15.369 27.914 944 HG22 VAL 111 HG22 VAL 111 14.152 -15.141 26.196 945 HG23 VAL 111 HG23 VAL 111 12.816 -15.395 27.320 946 HA PRO 112 HA PRO 112 18.040 -13.625 30.273 947 HB2 PRO 112 HB2 PRO 112 16.663 -12.256 32.528 948 HB3 PRO 112 HB3 PRO 112 18.301 -12.018 31.913 949 HG2 PRO 112 HG2 PRO 112 16.383 -10.146 31.570 950 HG3 PRO 112 HG3 PRO 112 17.633 -10.436 30.340 951 HD2 PRO 112 HD2 PRO 112 14.781 -11.457 30.406 952 HD3 PRO 112 HD3 PRO 112 15.669 -10.690 29.065 953 H ARG 113 H ARG 113 18.088 -15.302 31.867 954 HA ARG 113 HA ARG 113 15.658 -16.901 32.116 955 HB2 ARG 113 HB2 ARG 113 18.048 -17.801 31.619 956 HB3 ARG 113 HB3 ARG 113 18.372 -17.589 33.330 957 HG2 ARG 113 HG2 ARG 113 16.087 -19.316 32.306 958 HG3 ARG 113 HG3 ARG 113 17.718 -19.942 32.525 959 HD2 ARG 113 HD2 ARG 113 17.611 -19.447 34.925 960 HD3 ARG 113 HD3 ARG 113 16.008 -18.735 34.727 961 HE ARG 113 HE ARG 113 15.304 -21.023 33.952 962 HH11 ARG 113 HH11 ARG 113 17.905 -20.687 36.210 963 HH12 ARG 113 HH12 ARG 113 17.655 -22.252 36.887 964 HH21 ARG 113 HH21 ARG 113 14.999 -23.017 34.854 965 HH22 ARG 113 HH22 ARG 113 16.025 -23.545 36.140 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -21.093 3.164 24.639 2 H2 MET 1 H2 MET 1 -20.919 4.750 24.081 3 H3 MET 1 H3 MET 1 -22.142 4.377 25.184 4 HA MET 1 HA MET 1 -20.329 5.522 26.258 5 HB2 MET 1 HB2 MET 1 -20.641 2.599 27.063 6 HB3 MET 1 HB3 MET 1 -19.856 3.806 28.075 7 HG2 MET 1 HG2 MET 1 -22.123 3.438 28.832 8 HG3 MET 1 HG3 MET 1 -21.977 5.074 28.188 9 HE1 MET 1 HE1 MET 1 -24.818 3.730 28.707 10 HE2 MET 1 HE2 MET 1 -25.665 4.155 27.220 11 HE3 MET 1 HE3 MET 1 -24.621 5.339 28.006 12 H GLY 2 H GLY 2 -19.212 2.313 25.063 13 HA2 GLY 2 HA2 GLY 2 -16.622 3.399 24.300 14 HA3 GLY 2 HA3 GLY 2 -16.570 2.334 25.698 15 H SER 3 H SER 3 -16.954 2.533 22.260 16 HA SER 3 HA SER 3 -16.387 -0.377 22.025 17 HB2 SER 3 HB2 SER 3 -18.170 1.323 20.213 18 HB3 SER 3 HB3 SER 3 -17.587 -0.285 19.770 19 HG SER 3 HG SER 3 -19.170 -1.054 20.883 20 H HIS 4 H HIS 4 -14.582 1.899 22.287 21 HA HIS 4 HA HIS 4 -13.468 2.793 19.843 22 HB2 HIS 4 HB2 HIS 4 -12.037 2.475 22.519 23 HB3 HIS 4 HB3 HIS 4 -11.538 3.515 21.187 24 HD1 HIS 4 HD1 HIS 4 -13.363 3.588 24.289 25 HD2 HIS 4 HD2 HIS 4 -13.563 5.642 20.679 26 HE1 HIS 4 HE1 HIS 4 -14.714 5.647 24.763 27 HE2 HIS 4 HE2 HIS 4 -14.982 6.766 22.527 28 H GLN 5 H GLN 5 -12.525 0.109 22.012 29 HA GLN 5 HA GLN 5 -10.337 -0.917 20.583 30 HB2 GLN 5 HB2 GLN 5 -12.340 -2.416 22.321 31 HB3 GLN 5 HB3 GLN 5 -10.799 -3.077 21.771 32 HG2 GLN 5 HG2 GLN 5 -9.631 -1.236 23.007 33 HG3 GLN 5 HG3 GLN 5 -11.196 -0.716 23.637 34 HE21 GLN 5 HE21 GLN 5 -10.500 -1.107 25.778 35 HE22 GLN 5 HE22 GLN 5 -10.331 -2.704 26.408 36 H GLU 6 H GLU 6 -13.771 -1.923 20.451 37 HA GLU 6 HA GLU 6 -13.708 -3.869 18.472 38 HB2 GLU 6 HB2 GLU 6 -15.738 -3.431 19.755 39 HB3 GLU 6 HB3 GLU 6 -15.854 -1.801 19.108 40 HG2 GLU 6 HG2 GLU 6 -16.366 -2.689 16.874 41 HG3 GLU 6 HG3 GLU 6 -16.175 -4.337 17.475 42 H TYR 7 H TYR 7 -14.201 -0.357 18.017 43 HA TYR 7 HA TYR 7 -14.508 -0.195 15.259 44 HB2 TYR 7 HB2 TYR 7 -14.916 1.681 16.819 45 HB3 TYR 7 HB3 TYR 7 -13.193 1.811 17.147 46 HD1 TYR 7 HD1 TYR 7 -15.803 2.310 14.530 47 HD2 TYR 7 HD2 TYR 7 -11.748 3.074 15.655 48 HE1 TYR 7 HE1 TYR 7 -15.588 3.910 12.680 49 HE2 TYR 7 HE2 TYR 7 -11.534 4.676 13.801 50 HH TYR 7 HH TYR 7 -12.643 5.094 11.582 51 H ILE 8 H ILE 8 -11.484 0.075 17.139 52 HA ILE 8 HA ILE 8 -9.706 0.419 14.964 53 HB ILE 8 HB ILE 8 -9.189 -0.598 17.796 54 HG12 ILE 8 HG12 ILE 8 -8.782 2.178 16.572 55 HG13 ILE 8 HG13 ILE 8 -10.126 1.728 17.612 56 HG21 ILE 8 HG21 ILE 8 -7.127 0.315 15.745 57 HG22 ILE 8 HG22 ILE 8 -7.325 -1.326 16.365 58 HG23 ILE 8 HG23 ILE 8 -6.796 -0.037 17.444 59 HD11 ILE 8 HD11 ILE 8 -7.216 1.827 18.415 60 HD12 ILE 8 HD12 ILE 8 -8.557 1.368 19.468 61 HD13 ILE 8 HD13 ILE 8 -8.463 3.004 18.821 62 H LYS 9 H LYS 9 -10.829 -2.546 16.619 63 HA LYS 9 HA LYS 9 -9.047 -4.401 15.404 64 HB2 LYS 9 HB2 LYS 9 -11.836 -4.853 16.542 65 HB3 LYS 9 HB3 LYS 9 -10.735 -6.149 16.071 66 HG2 LYS 9 HG2 LYS 9 -9.150 -5.459 17.795 67 HG3 LYS 9 HG3 LYS 9 -10.178 -4.087 18.221 68 HD2 LYS 9 HD2 LYS 9 -12.020 -5.846 18.720 69 HD3 LYS 9 HD3 LYS 9 -10.725 -7.047 18.638 70 HE2 LYS 9 HE2 LYS 9 -10.870 -4.690 20.542 71 HE3 LYS 9 HE3 LYS 9 -11.173 -6.379 20.954 72 HZ1 LYS 9 HZ1 LYS 9 -8.584 -5.215 20.066 73 HZ2 LYS 9 HZ2 LYS 9 -8.856 -6.860 20.343 74 HZ3 LYS 9 HZ3 LYS 9 -8.969 -5.764 21.621 75 H LYS 10 H LYS 10 -12.276 -3.254 14.427 76 HA LYS 10 HA LYS 10 -12.583 -4.856 12.097 77 HB2 LYS 10 HB2 LYS 10 -13.868 -2.292 13.056 78 HB3 LYS 10 HB3 LYS 10 -14.125 -2.779 11.390 79 HG2 LYS 10 HG2 LYS 10 -15.976 -3.498 12.843 80 HG3 LYS 10 HG3 LYS 10 -15.159 -4.869 12.091 81 HD2 LYS 10 HD2 LYS 10 -13.948 -5.317 14.202 82 HD3 LYS 10 HD3 LYS 10 -14.725 -3.922 14.953 83 HE2 LYS 10 HE2 LYS 10 -15.808 -6.018 15.643 84 HE3 LYS 10 HE3 LYS 10 -16.923 -5.009 14.722 85 HZ1 LYS 10 HZ1 LYS 10 -15.387 -7.285 13.595 86 HZ2 LYS 10 HZ2 LYS 10 -16.571 -6.374 12.802 87 HZ3 LYS 10 HZ3 LYS 10 -16.998 -7.360 14.104 88 H VAL 11 H VAL 11 -11.363 -1.498 12.465 89 HA VAL 11 HA VAL 11 -10.570 -1.003 9.816 90 HB VAL 11 HB VAL 11 -9.369 0.111 12.397 91 HG11 VAL 11 HG11 VAL 11 -9.119 1.227 9.570 92 HG12 VAL 11 HG12 VAL 11 -7.815 0.526 10.530 93 HG13 VAL 11 HG13 VAL 11 -8.570 2.035 11.040 94 HG21 VAL 11 HG21 VAL 11 -10.882 2.043 12.036 95 HG22 VAL 11 HG22 VAL 11 -11.791 0.541 12.206 96 HG23 VAL 11 HG23 VAL 11 -11.557 1.252 10.608 97 H THR 12 H THR 12 -8.916 -2.781 12.370 98 HA THR 12 HA THR 12 -6.361 -3.091 11.161 99 HB THR 12 HB THR 12 -7.793 -4.881 13.181 100 HG1 THR 12 HG1 THR 12 -7.294 -3.211 14.389 101 HG21 THR 12 HG21 THR 12 -4.843 -4.901 12.428 102 HG22 THR 12 HG22 THR 12 -6.002 -6.177 12.049 103 HG23 THR 12 HG23 THR 12 -5.583 -5.834 13.729 104 H ASP 13 H ASP 13 -9.303 -5.181 11.050 105 HA ASP 13 HA ASP 13 -8.168 -7.075 9.222 106 HB2 ASP 13 HB2 ASP 13 -11.056 -6.522 9.982 107 HB3 ASP 13 HB3 ASP 13 -10.571 -7.839 8.915 108 H GLU 14 H GLU 14 -9.953 -4.062 8.759 109 HA GLU 14 HA GLU 14 -10.321 -4.233 5.943 110 HB2 GLU 14 HB2 GLU 14 -9.977 -1.751 7.679 111 HB3 GLU 14 HB3 GLU 14 -10.559 -1.748 6.019 112 HG2 GLU 14 HG2 GLU 14 -11.936 -3.051 8.370 113 HG3 GLU 14 HG3 GLU 14 -12.389 -1.514 7.650 114 H LEU 15 H LEU 15 -7.587 -3.335 7.950 115 HA LEU 15 HA LEU 15 -5.852 -2.361 5.917 116 HB2 LEU 15 HB2 LEU 15 -5.437 -1.788 8.199 117 HB3 LEU 15 HB3 LEU 15 -5.390 -3.458 8.704 118 HG LEU 15 HG LEU 15 -3.232 -2.488 6.814 119 HD11 LEU 15 HD11 LEU 15 -1.841 -1.710 8.688 120 HD12 LEU 15 HD12 LEU 15 -3.189 -1.947 9.805 121 HD13 LEU 15 HD13 LEU 15 -3.297 -0.727 8.535 122 HD21 LEU 15 HD21 LEU 15 -3.301 -4.880 7.417 123 HD22 LEU 15 HD22 LEU 15 -3.199 -4.465 9.127 124 HD23 LEU 15 HD23 LEU 15 -1.844 -4.115 8.049 125 H LYS 16 H LYS 16 -6.387 -5.687 7.212 126 HA LYS 16 HA LYS 16 -4.468 -6.938 5.471 127 HB2 LYS 16 HB2 LYS 16 -6.683 -7.979 7.213 128 HB3 LYS 16 HB3 LYS 16 -6.135 -9.030 5.927 129 HG2 LYS 16 HG2 LYS 16 -4.880 -9.738 7.752 130 HG3 LYS 16 HG3 LYS 16 -3.757 -8.709 6.868 131 HD2 LYS 16 HD2 LYS 16 -3.550 -8.262 9.244 132 HD3 LYS 16 HD3 LYS 16 -4.263 -6.847 8.462 133 HE2 LYS 16 HE2 LYS 16 -5.360 -7.412 10.619 134 HE3 LYS 16 HE3 LYS 16 -6.475 -7.470 9.261 135 HZ1 LYS 16 HZ1 LYS 16 -6.233 -9.893 9.248 136 HZ2 LYS 16 HZ2 LYS 16 -6.847 -9.321 10.714 137 HZ3 LYS 16 HZ3 LYS 16 -5.227 -9.806 10.607 138 H GLU 17 H GLU 17 -7.972 -6.339 5.154 139 HA GLU 17 HA GLU 17 -8.457 -7.420 2.604 140 HB2 GLU 17 HB2 GLU 17 -9.682 -5.039 4.033 141 HB3 GLU 17 HB3 GLU 17 -10.280 -5.603 2.476 142 HG2 GLU 17 HG2 GLU 17 -10.209 -7.276 5.008 143 HG3 GLU 17 HG3 GLU 17 -11.616 -6.386 4.424 144 H LEU 18 H LEU 18 -6.919 -4.508 3.576 145 HA LEU 18 HA LEU 18 -6.849 -3.224 1.027 146 HB2 LEU 18 HB2 LEU 18 -6.613 -2.408 3.610 147 HB3 LEU 18 HB3 LEU 18 -4.912 -2.523 3.217 148 HG LEU 18 HG LEU 18 -5.055 -0.775 1.593 149 HD11 LEU 18 HD11 LEU 18 -8.079 -0.990 1.789 150 HD12 LEU 18 HD12 LEU 18 -7.072 -1.465 0.416 151 HD13 LEU 18 HD13 LEU 18 -7.189 0.234 0.870 152 HD21 LEU 18 HD21 LEU 18 -6.886 -0.009 3.898 153 HD22 LEU 18 HD22 LEU 18 -5.933 1.088 2.895 154 HD23 LEU 18 HD23 LEU 18 -5.121 -0.046 3.967 155 H ILE 19 H ILE 19 -4.458 -5.027 2.991 156 HA ILE 19 HA ILE 19 -2.244 -4.865 1.244 157 HB ILE 19 HB ILE 19 -2.967 -7.015 3.296 158 HG12 ILE 19 HG12 ILE 19 -0.997 -4.685 3.500 159 HG13 ILE 19 HG13 ILE 19 -2.609 -4.698 4.202 160 HG21 ILE 19 HG21 ILE 19 -0.588 -7.731 3.244 161 HG22 ILE 19 HG22 ILE 19 -0.291 -6.636 1.893 162 HG23 ILE 19 HG23 ILE 19 -1.387 -8.004 1.696 163 HD11 ILE 19 HD11 ILE 19 -0.321 -6.515 4.968 164 HD12 ILE 19 HD12 ILE 19 -1.945 -6.563 5.660 165 HD13 ILE 19 HD13 ILE 19 -0.934 -5.139 5.883 166 H GLN 20 H GLN 20 -4.770 -7.444 1.488 167 HA GLN 20 HA GLN 20 -3.649 -9.177 -0.466 168 HB2 GLN 20 HB2 GLN 20 -5.803 -10.343 -0.480 169 HB3 GLN 20 HB3 GLN 20 -5.338 -9.950 1.174 170 HG2 GLN 20 HG2 GLN 20 -6.894 -7.973 1.059 171 HG3 GLN 20 HG3 GLN 20 -7.428 -8.541 -0.524 172 HE21 GLN 20 HE21 GLN 20 -9.560 -8.829 0.179 173 HE22 GLN 20 HE22 GLN 20 -10.022 -10.061 1.294 174 H ASN 21 H ASN 21 -5.893 -6.466 -0.707 175 HA ASN 21 HA ASN 21 -6.718 -6.951 -3.399 176 HB2 ASN 21 HB2 ASN 21 -7.891 -5.540 -1.504 177 HB3 ASN 21 HB3 ASN 21 -6.872 -4.223 -2.057 178 HD21 ASN 21 HD21 ASN 21 -7.126 -5.138 -4.933 179 HD22 ASN 21 HD22 ASN 21 -8.719 -4.671 -5.388 180 H VAL 22 H VAL 22 -4.520 -4.530 -1.911 181 HA VAL 22 HA VAL 22 -3.467 -3.350 -4.223 182 HB VAL 22 HB VAL 22 -2.209 -3.731 -1.466 183 HG11 VAL 22 HG11 VAL 22 -0.372 -3.371 -3.062 184 HG12 VAL 22 HG12 VAL 22 -0.582 -1.965 -2.023 185 HG13 VAL 22 HG13 VAL 22 -1.173 -1.926 -3.690 186 HG21 VAL 22 HG21 VAL 22 -4.229 -2.343 -1.488 187 HG22 VAL 22 HG22 VAL 22 -3.533 -1.314 -2.743 188 HG23 VAL 22 HG23 VAL 22 -2.807 -1.358 -1.135 189 H ASN 23 H ASN 23 -2.374 -6.254 -2.478 190 HA ASN 23 HA ASN 23 0.048 -6.690 -3.882 191 HB2 ASN 23 HB2 ASN 23 -0.838 -7.740 -1.626 192 HB3 ASN 23 HB3 ASN 23 -1.545 -8.971 -2.655 193 HD21 ASN 23 HD21 ASN 23 0.608 -9.105 -0.616 194 HD22 ASN 23 HD22 ASN 23 1.973 -9.790 -1.420 195 H ASP 24 H ASP 24 -3.244 -7.898 -4.385 196 HA ASP 24 HA ASP 24 -2.711 -9.572 -6.635 197 HB2 ASP 24 HB2 ASP 24 -4.729 -9.789 -5.179 198 HB3 ASP 24 HB3 ASP 24 -5.319 -8.239 -5.776 199 H ASP 25 H ASP 25 -3.789 -6.183 -6.345 200 HA ASP 25 HA ASP 25 -4.051 -5.601 -9.103 201 HB2 ASP 25 HB2 ASP 25 -3.759 -3.907 -6.615 202 HB3 ASP 25 HB3 ASP 25 -3.645 -3.133 -8.191 203 H ILE 26 H ILE 26 -1.220 -5.437 -6.942 204 HA ILE 26 HA ILE 26 0.552 -4.205 -8.809 205 HB ILE 26 HB ILE 26 1.203 -5.966 -6.400 206 HG12 ILE 26 HG12 ILE 26 1.395 -2.926 -6.709 207 HG13 ILE 26 HG13 ILE 26 0.087 -3.761 -5.884 208 HG21 ILE 26 HG21 ILE 26 3.086 -6.057 -7.972 209 HG22 ILE 26 HG22 ILE 26 3.530 -5.093 -6.566 210 HG23 ILE 26 HG23 ILE 26 3.116 -4.295 -8.084 211 HD11 ILE 26 HD11 ILE 26 1.650 -2.847 -4.296 212 HD12 ILE 26 HD12 ILE 26 2.987 -3.716 -5.046 213 HD13 ILE 26 HD13 ILE 26 1.701 -4.608 -4.224 214 H LYS 27 H LYS 27 -0.350 -7.605 -8.177 215 HA LYS 27 HA LYS 27 1.413 -8.858 -10.028 216 HB2 LYS 27 HB2 LYS 27 -1.377 -9.723 -9.175 217 HB3 LYS 27 HB3 LYS 27 -0.241 -10.736 -10.065 218 HG2 LYS 27 HG2 LYS 27 1.305 -10.689 -8.147 219 HG3 LYS 27 HG3 LYS 27 0.178 -9.655 -7.261 220 HD2 LYS 27 HD2 LYS 27 -1.549 -11.491 -7.444 221 HD3 LYS 27 HD3 LYS 27 -0.317 -12.519 -8.184 222 HE2 LYS 27 HE2 LYS 27 -0.518 -13.074 -5.831 223 HE3 LYS 27 HE3 LYS 27 1.045 -12.301 -6.095 224 HZ1 LYS 27 HZ1 LYS 27 0.122 -10.231 -5.255 225 HZ2 LYS 27 HZ2 LYS 27 -0.045 -11.470 -4.115 226 HZ3 LYS 27 HZ3 LYS 27 -1.385 -10.975 -5.023 227 H GLU 28 H GLU 28 -1.813 -7.421 -10.399 228 HA GLU 28 HA GLU 28 -2.177 -7.931 -13.164 229 HB2 GLU 28 HB2 GLU 28 -3.339 -5.805 -11.333 230 HB3 GLU 28 HB3 GLU 28 -3.793 -5.934 -13.030 231 HG2 GLU 28 HG2 GLU 28 -4.160 -8.133 -10.965 232 HG3 GLU 28 HG3 GLU 28 -5.414 -7.002 -11.464 233 H VAL 29 H VAL 29 -0.320 -5.430 -11.488 234 HA VAL 29 HA VAL 29 0.333 -4.003 -13.919 235 HB VAL 29 HB VAL 29 1.894 -3.885 -11.307 236 HG11 VAL 29 HG11 VAL 29 2.606 -1.699 -12.156 237 HG12 VAL 29 HG12 VAL 29 1.618 -1.904 -13.595 238 HG13 VAL 29 HG13 VAL 29 3.010 -2.956 -13.314 239 HG21 VAL 29 HG21 VAL 29 0.551 -1.881 -10.725 240 HG22 VAL 29 HG22 VAL 29 -0.447 -3.333 -10.800 241 HG23 VAL 29 HG23 VAL 29 -0.487 -2.170 -12.127 242 H GLU 30 H GLU 30 1.925 -6.575 -11.990 243 HA GLU 30 HA GLU 30 4.308 -6.894 -13.488 244 HB2 GLU 30 HB2 GLU 30 2.632 -9.062 -12.137 245 HB3 GLU 30 HB3 GLU 30 4.308 -9.255 -12.665 246 HG2 GLU 30 HG2 GLU 30 5.041 -7.535 -11.042 247 HG3 GLU 30 HG3 GLU 30 3.376 -7.324 -10.509 248 H LYS 31 H LYS 31 1.028 -7.757 -14.097 249 HA LYS 31 HA LYS 31 1.392 -9.327 -16.482 250 HB2 LYS 31 HB2 LYS 31 -0.529 -9.514 -14.830 251 HB3 LYS 31 HB3 LYS 31 -1.087 -7.936 -15.379 252 HG2 LYS 31 HG2 LYS 31 -1.289 -8.917 -17.692 253 HG3 LYS 31 HG3 LYS 31 -0.921 -10.491 -16.973 254 HD2 LYS 31 HD2 LYS 31 -2.931 -10.380 -15.584 255 HD3 LYS 31 HD3 LYS 31 -3.267 -8.733 -16.133 256 HE2 LYS 31 HE2 LYS 31 -3.640 -9.568 -18.425 257 HE3 LYS 31 HE3 LYS 31 -3.268 -11.211 -17.896 258 HZ1 LYS 31 HZ1 LYS 31 -5.635 -10.856 -18.033 259 HZ2 LYS 31 HZ2 LYS 31 -5.549 -9.551 -16.963 260 HZ3 LYS 31 HZ3 LYS 31 -5.188 -11.112 -16.423 261 H ASN 32 H ASN 32 0.182 -6.018 -15.769 262 HA ASN 32 HA ASN 32 0.862 -5.081 -18.511 263 HB2 ASN 32 HB2 ASN 32 -1.609 -4.279 -16.905 264 HB3 ASN 32 HB3 ASN 32 -1.167 -3.647 -18.486 265 HD21 ASN 32 HD21 ASN 32 -1.422 -5.014 -20.315 266 HD22 ASN 32 HD22 ASN 32 -2.440 -6.407 -20.252 267 HA PRO 33 HA PRO 33 3.266 -2.781 -15.295 268 HB2 PRO 33 HB2 PRO 33 5.167 -1.676 -17.004 269 HB3 PRO 33 HB3 PRO 33 5.246 -3.310 -16.330 270 HG2 PRO 33 HG2 PRO 33 4.227 -2.415 -19.026 271 HG3 PRO 33 HG3 PRO 33 5.290 -3.784 -18.631 272 HD2 PRO 33 HD2 PRO 33 2.674 -4.168 -19.116 273 HD3 PRO 33 HD3 PRO 33 3.507 -5.108 -17.858 274 H GLU 34 H GLU 34 2.483 -1.066 -18.363 275 HA GLU 34 HA GLU 34 2.661 1.518 -16.937 276 HB2 GLU 34 HB2 GLU 34 2.578 1.022 -19.941 277 HB3 GLU 34 HB3 GLU 34 2.949 2.542 -19.124 278 HG2 GLU 34 HG2 GLU 34 4.923 1.275 -18.044 279 HG3 GLU 34 HG3 GLU 34 4.627 0.020 -19.243 280 H ASP 35 H ASP 35 0.207 -0.558 -17.403 281 HA ASP 35 HA ASP 35 -1.864 1.307 -18.117 282 HB2 ASP 35 HB2 ASP 35 -1.838 -1.494 -16.999 283 HB3 ASP 35 HB3 ASP 35 -3.326 -0.557 -16.896 284 H MET 36 H MET 36 -2.031 3.058 -16.980 285 HA MET 36 HA MET 36 -1.232 3.423 -14.287 286 HB2 MET 36 HB2 MET 36 -2.856 5.250 -16.082 287 HB3 MET 36 HB3 MET 36 -2.064 5.716 -14.599 288 HG2 MET 36 HG2 MET 36 -0.478 4.584 -16.906 289 HG3 MET 36 HG3 MET 36 -0.925 6.292 -16.835 290 HE1 MET 36 HE1 MET 36 2.173 4.211 -14.138 291 HE2 MET 36 HE2 MET 36 1.453 3.519 -15.591 292 HE3 MET 36 HE3 MET 36 0.506 3.640 -14.105 293 H GLU 37 H GLU 37 -4.299 2.687 -15.727 294 HA GLU 37 HA GLU 37 -6.137 3.409 -13.785 295 HB2 GLU 37 HB2 GLU 37 -6.676 2.490 -16.041 296 HB3 GLU 37 HB3 GLU 37 -6.186 0.889 -15.498 297 HG2 GLU 37 HG2 GLU 37 -8.027 0.830 -13.889 298 HG3 GLU 37 HG3 GLU 37 -8.472 2.485 -14.297 299 H TYR 38 H TYR 38 -4.143 0.443 -13.897 300 HA TYR 38 HA TYR 38 -5.059 -0.796 -11.512 301 HB2 TYR 38 HB2 TYR 38 -2.352 -0.940 -12.890 302 HB3 TYR 38 HB3 TYR 38 -2.811 -1.988 -11.557 303 HD1 TYR 38 HD1 TYR 38 -5.475 -2.933 -12.150 304 HD2 TYR 38 HD2 TYR 38 -2.276 -2.167 -14.881 305 HE1 TYR 38 HE1 TYR 38 -6.434 -4.552 -13.735 306 HE2 TYR 38 HE2 TYR 38 -3.243 -3.777 -16.460 307 HH TYR 38 HH TYR 38 -4.736 -5.784 -16.363 308 H TRP 39 H TRP 39 -2.378 1.483 -12.108 309 HA TRP 39 HA TRP 39 -1.446 1.588 -9.423 310 HB2 TRP 39 HB2 TRP 39 -0.917 3.342 -11.838 311 HB3 TRP 39 HB3 TRP 39 -0.217 3.707 -10.265 312 HD1 TRP 39 HD1 TRP 39 0.701 1.966 -13.320 313 HE1 TRP 39 HE1 TRP 39 2.622 0.320 -12.922 314 HE3 TRP 39 HE3 TRP 39 0.521 1.689 -8.206 315 HZ2 TRP 39 HZ2 TRP 39 3.864 -0.971 -10.756 316 HZ3 TRP 39 HZ3 TRP 39 2.104 0.196 -7.056 317 HH2 TRP 39 HH2 TRP 39 3.749 -1.111 -8.317 318 H ASN 40 H ASN 40 -3.963 3.431 -11.075 319 HA ASN 40 HA ASN 40 -4.290 5.526 -9.173 320 HB2 ASN 40 HB2 ASN 40 -6.387 4.209 -10.949 321 HB3 ASN 40 HB3 ASN 40 -6.617 5.725 -10.078 322 HD21 ASN 40 HD21 ASN 40 -6.694 5.124 -12.947 323 HD22 ASN 40 HD22 ASN 40 -5.548 6.177 -13.675 324 H LYS 41 H LYS 41 -5.802 2.335 -9.518 325 HA LYS 41 HA LYS 41 -7.383 2.221 -7.207 326 HB2 LYS 41 HB2 LYS 41 -5.819 -0.035 -8.541 327 HB3 LYS 41 HB3 LYS 41 -7.086 -0.277 -7.343 328 HG2 LYS 41 HG2 LYS 41 -7.464 0.978 -10.081 329 HG3 LYS 41 HG3 LYS 41 -7.866 -0.687 -9.644 330 HD2 LYS 41 HD2 LYS 41 -9.490 0.218 -7.939 331 HD3 LYS 41 HD3 LYS 41 -9.146 1.848 -8.532 332 HE2 LYS 41 HE2 LYS 41 -9.981 1.183 -10.778 333 HE3 LYS 41 HE3 LYS 41 -10.350 -0.428 -10.152 334 HZ1 LYS 41 HZ1 LYS 41 -12.306 0.937 -10.181 335 HZ2 LYS 41 HZ2 LYS 41 -11.554 2.124 -9.243 336 HZ3 LYS 41 HZ3 LYS 41 -11.879 0.602 -8.580 337 H ILE 42 H ILE 42 -4.029 1.044 -7.617 338 HA ILE 42 HA ILE 42 -3.525 0.216 -4.978 339 HB ILE 42 HB ILE 42 -1.583 1.135 -7.147 340 HG12 ILE 42 HG12 ILE 42 -2.356 -1.698 -6.303 341 HG13 ILE 42 HG13 ILE 42 -3.081 -0.848 -7.661 342 HG21 ILE 42 HG21 ILE 42 -0.420 1.260 -4.982 343 HG22 ILE 42 HG22 ILE 42 0.201 -0.091 -5.927 344 HG23 ILE 42 HG23 ILE 42 -0.916 -0.391 -4.595 345 HD11 ILE 42 HD11 ILE 42 -0.918 -0.792 -8.790 346 HD12 ILE 42 HD12 ILE 42 -1.407 -2.438 -8.385 347 HD13 ILE 42 HD13 ILE 42 -0.179 -1.624 -7.418 348 H TYR 43 H TYR 43 -2.965 3.352 -6.528 349 HA TYR 43 HA TYR 43 -1.431 4.611 -4.520 350 HB2 TYR 43 HB2 TYR 43 -1.661 5.367 -6.911 351 HB3 TYR 43 HB3 TYR 43 -3.295 5.908 -6.557 352 HD1 TYR 43 HD2 TYR 43 0.185 6.371 -5.199 353 HD2 TYR 43 HD1 TYR 43 -3.537 8.229 -6.161 354 HE1 TYR 43 HE2 TYR 43 1.104 8.555 -4.572 355 HE2 TYR 43 HE1 TYR 43 -2.602 10.422 -5.554 356 HH TYR 43 HH TYR 43 0.712 10.942 -5.096 357 H ARG 44 H ARG 44 -4.939 4.696 -5.187 358 HA ARG 44 HA ARG 44 -5.625 6.318 -2.916 359 HB2 ARG 44 HB2 ARG 44 -7.369 4.691 -4.797 360 HB3 ARG 44 HB3 ARG 44 -7.987 5.818 -3.583 361 HG2 ARG 44 HG2 ARG 44 -6.837 7.685 -4.680 362 HG3 ARG 44 HG3 ARG 44 -6.109 6.582 -5.852 363 HD2 ARG 44 HD2 ARG 44 -8.379 6.033 -6.704 364 HD3 ARG 44 HD3 ARG 44 -9.071 7.200 -5.567 365 HE ARG 44 HE ARG 44 -7.414 8.801 -6.817 366 HH11 ARG 44 HH11 ARG 44 -9.396 6.373 -8.268 367 HH12 ARG 44 HH12 ARG 44 -9.498 7.214 -9.774 368 HH21 ARG 44 HH21 ARG 44 -7.555 9.856 -8.746 369 HH22 ARG 44 HH22 ARG 44 -8.466 9.159 -10.039 370 H LEU 45 H LEU 45 -5.394 2.825 -3.379 371 HA LEU 45 HA LEU 45 -6.685 2.119 -0.895 372 HB2 LEU 45 HB2 LEU 45 -4.748 0.546 -2.621 373 HB3 LEU 45 HB3 LEU 45 -5.583 -0.115 -1.225 374 HG LEU 45 HG LEU 45 -6.900 0.833 -3.802 375 HD11 LEU 45 HD11 LEU 45 -7.421 -1.529 -4.190 376 HD12 LEU 45 HD12 LEU 45 -6.546 -1.981 -2.724 377 HD13 LEU 45 HD13 LEU 45 -5.681 -1.269 -4.088 378 HD21 LEU 45 HD21 LEU 45 -9.000 -0.069 -2.886 379 HD22 LEU 45 HD22 LEU 45 -8.387 1.261 -1.909 380 HD23 LEU 45 HD23 LEU 45 -8.195 -0.401 -1.349 381 H VAL 46 H VAL 46 -3.321 2.745 -1.861 382 HA VAL 46 HA VAL 46 -2.177 2.316 0.746 383 HB VAL 46 HB VAL 46 -1.034 3.684 -1.730 384 HG11 VAL 46 HG11 VAL 46 1.190 3.578 -0.617 385 HG12 VAL 46 HG12 VAL 46 0.420 3.007 0.864 386 HG13 VAL 46 HG13 VAL 46 0.080 4.630 0.262 387 HG21 VAL 46 HG21 VAL 46 0.327 1.617 -1.936 388 HG22 VAL 46 HG22 VAL 46 -1.398 1.252 -1.982 389 HG23 VAL 46 HG23 VAL 46 -0.471 0.946 -0.510 390 H HIS 47 H HIS 47 -3.595 5.063 -0.950 391 HA HIS 47 HA HIS 47 -3.071 7.087 0.978 392 HB2 HIS 47 HB2 HIS 47 -3.950 7.589 -1.289 393 HB3 HIS 47 HB3 HIS 47 -5.466 6.795 -0.900 394 HD1 HIS 47 HD1 HIS 47 -6.880 8.018 1.114 395 HD2 HIS 47 HD2 HIS 47 -3.907 10.274 -0.725 396 HE1 HIS 47 HE1 HIS 47 -7.421 10.401 1.655 397 HE2 HIS 47 HE2 HIS 47 -5.726 11.744 0.383 398 H THR 48 H THR 48 -5.470 4.467 0.824 399 HA THR 48 HA THR 48 -6.916 5.268 3.176 400 HB THR 48 HB THR 48 -6.784 2.497 1.922 401 HG1 THR 48 HG1 THR 48 -7.790 4.669 0.890 402 HG21 THR 48 HG21 THR 48 -8.800 3.708 3.862 403 HG22 THR 48 HG22 THR 48 -7.671 2.389 4.207 404 HG23 THR 48 HG23 THR 48 -8.984 2.151 3.052 405 H MET 49 H MET 49 -4.167 3.013 2.584 406 HA MET 49 HA MET 49 -3.776 2.099 5.237 407 HB2 MET 49 HB2 MET 49 -1.657 2.615 3.095 408 HB3 MET 49 HB3 MET 49 -1.402 1.667 4.560 409 HG2 MET 49 HG2 MET 49 -3.115 0.064 3.795 410 HG3 MET 49 HG3 MET 49 -3.321 1.015 2.323 411 HE1 MET 49 HE1 MET 49 -3.017 -1.135 0.952 412 HE2 MET 49 HE2 MET 49 -2.635 -2.163 2.338 413 HE3 MET 49 HE3 MET 49 -1.561 -2.136 0.940 414 H LYS 50 H LYS 50 -2.620 4.953 3.570 415 HA LYS 50 HA LYS 50 -1.030 6.247 5.446 416 HB2 LYS 50 HB2 LYS 50 -1.097 7.045 3.203 417 HB3 LYS 50 HB3 LYS 50 -2.839 7.160 3.193 418 HG2 LYS 50 HG2 LYS 50 -2.669 9.106 4.763 419 HG3 LYS 50 HG3 LYS 50 -0.911 9.031 4.597 420 HD2 LYS 50 HD2 LYS 50 -1.038 9.571 2.244 421 HD3 LYS 50 HD3 LYS 50 -2.790 9.363 2.223 422 HE2 LYS 50 HE2 LYS 50 -2.110 11.752 2.195 423 HE3 LYS 50 HE3 LYS 50 -3.089 11.345 3.603 424 HZ1 LYS 50 HZ1 LYS 50 -1.103 11.267 4.945 425 HZ2 LYS 50 HZ2 LYS 50 -1.197 12.759 4.151 426 HZ3 LYS 50 HZ3 LYS 50 -0.129 11.572 3.596 427 H GLU 51 H GLU 51 -4.546 6.756 4.837 428 HA GLU 51 HA GLU 51 -4.904 8.572 7.004 429 HB2 GLU 51 HB2 GLU 51 -7.285 8.501 6.559 430 HB3 GLU 51 HB3 GLU 51 -6.428 8.490 5.022 431 HG2 GLU 51 HG2 GLU 51 -6.800 6.058 4.837 432 HG3 GLU 51 HG3 GLU 51 -7.654 6.069 6.377 433 H ILE 52 H ILE 52 -5.227 5.037 6.830 434 HA ILE 52 HA ILE 52 -6.499 4.536 9.306 435 HB ILE 52 HB ILE 52 -4.585 2.844 7.646 436 HG12 ILE 52 HG12 ILE 52 -7.575 2.546 8.203 437 HG13 ILE 52 HG13 ILE 52 -6.878 3.199 6.730 438 HG21 ILE 52 HG21 ILE 52 -4.211 2.119 9.960 439 HG22 ILE 52 HG22 ILE 52 -5.087 0.874 9.073 440 HG23 ILE 52 HG23 ILE 52 -5.949 1.917 10.205 441 HD11 ILE 52 HD11 ILE 52 -7.637 0.930 6.401 442 HD12 ILE 52 HD12 ILE 52 -6.611 0.356 7.713 443 HD13 ILE 52 HD13 ILE 52 -5.883 1.005 6.240 444 H THR 53 H THR 53 -2.972 4.529 8.559 445 HA THR 53 HA THR 53 -2.192 4.219 11.288 446 HB THR 53 HB THR 53 -0.679 3.419 9.595 447 HG1 THR 53 HG1 THR 53 0.664 5.632 10.668 448 HG21 THR 53 HG21 THR 53 0.592 4.879 8.100 449 HG22 THR 53 HG22 THR 53 -0.283 6.286 8.704 450 HG23 THR 53 HG23 THR 53 -1.139 5.049 7.783 451 H GLU 54 H GLU 54 -2.715 7.108 9.296 452 HA GLU 54 HA GLU 54 -1.403 8.931 11.111 453 HB2 GLU 54 HB2 GLU 54 -3.207 9.449 8.719 454 HB3 GLU 54 HB3 GLU 54 -2.446 10.732 9.656 455 HG2 GLU 54 HG2 GLU 54 -0.227 9.817 9.074 456 HG3 GLU 54 HG3 GLU 54 -0.992 8.555 8.118 457 H THR 55 H THR 55 -4.788 7.853 10.690 458 HA THR 55 HA THR 55 -5.860 9.740 12.605 459 HB THR 55 HB THR 55 -7.316 8.606 10.879 460 HG1 THR 55 HG1 THR 55 -8.761 7.934 13.036 461 HG21 THR 55 HG21 THR 55 -6.499 6.268 11.122 462 HG22 THR 55 HG22 THR 55 -8.244 6.377 11.340 463 HG23 THR 55 HG23 THR 55 -7.195 6.202 12.747 464 H MET 56 H MET 56 -4.284 6.634 12.851 465 HA MET 56 HA MET 56 -4.765 6.289 15.697 466 HB2 MET 56 HB2 MET 56 -2.747 4.960 13.815 467 HB3 MET 56 HB3 MET 56 -2.981 4.505 15.500 468 HG2 MET 56 HG2 MET 56 -5.309 3.854 15.011 469 HG3 MET 56 HG3 MET 56 -5.079 4.316 13.323 470 HE1 MET 56 HE1 MET 56 -5.922 1.872 12.554 471 HE2 MET 56 HE2 MET 56 -6.141 1.420 14.247 472 HE3 MET 56 HE3 MET 56 -5.220 0.375 13.168 473 H GLY 57 H GLY 57 -2.365 7.870 13.670 474 HA2 GLY 57 HA2 GLY 57 -1.252 9.843 14.457 475 HA3 GLY 57 HA3 GLY 57 -1.155 9.142 16.060 476 H PHE 58 H PHE 58 -0.347 6.823 13.730 477 HA PHE 58 HA PHE 58 2.463 6.874 14.451 478 HB2 PHE 58 HB2 PHE 58 0.784 5.023 12.736 479 HB3 PHE 58 HB3 PHE 58 2.502 4.785 12.951 480 HD1 PHE 58 HD2 PHE 58 3.391 4.118 15.205 481 HD2 PHE 58 HD1 PHE 58 -0.806 4.445 14.459 482 HE1 PHE 58 HE2 PHE 58 2.921 2.803 17.231 483 HE2 PHE 58 HE1 PHE 58 -1.272 3.130 16.485 484 HZ PHE 58 HZ PHE 58 0.594 2.307 17.876 485 H SER 59 H SER 59 3.190 8.824 13.469 486 HA SER 59 HA SER 59 3.049 9.340 10.653 487 HB2 SER 59 HB2 SER 59 4.894 10.501 12.782 488 HB3 SER 59 HB3 SER 59 4.775 11.103 11.126 489 HG SER 59 HG SER 59 2.465 11.378 11.604 490 H SER 60 H SER 60 5.213 7.463 12.642 491 HA SER 60 HA SER 60 7.423 7.226 10.848 492 HB2 SER 60 HB2 SER 60 6.522 5.386 13.105 493 HB3 SER 60 HB3 SER 60 8.083 5.282 12.283 494 HG SER 60 HG SER 60 8.722 7.133 13.217 495 H VAL 61 H VAL 61 4.569 5.129 11.447 496 HA VAL 61 HA VAL 61 5.173 3.203 9.419 497 HB VAL 61 HB VAL 61 2.418 3.873 10.545 498 HG11 VAL 61 HG11 VAL 61 3.425 1.313 9.243 499 HG12 VAL 61 HG12 VAL 61 2.302 2.474 8.532 500 HG13 VAL 61 HG13 VAL 61 1.822 1.544 9.951 501 HG21 VAL 61 HG21 VAL 61 3.972 3.381 12.403 502 HG22 VAL 61 HG22 VAL 61 4.403 1.842 11.651 503 HG23 VAL 61 HG23 VAL 61 2.754 2.115 12.230 504 H ALA 62 H ALA 62 3.120 6.122 9.503 505 HA ALA 62 HA ALA 62 2.112 6.109 6.874 506 HB1 ALA 62 HB1 ALA 62 1.772 8.536 7.149 507 HB2 ALA 62 HB2 ALA 62 2.801 8.524 8.587 508 HB3 ALA 62 HB3 ALA 62 1.268 7.646 8.591 509 H LYS 63 H LYS 63 5.227 7.201 8.123 510 HA LYS 63 HA LYS 63 6.282 8.535 5.868 511 HB2 LYS 63 HB2 LYS 63 7.220 8.622 8.177 512 HB3 LYS 63 HB3 LYS 63 7.723 6.942 8.030 513 HG2 LYS 63 HG2 LYS 63 9.253 7.615 6.161 514 HG3 LYS 63 HG3 LYS 63 8.798 9.300 6.444 515 HD2 LYS 63 HD2 LYS 63 9.672 9.120 8.778 516 HD3 LYS 63 HD3 LYS 63 10.149 7.450 8.458 517 HE2 LYS 63 HE2 LYS 63 11.254 9.927 7.091 518 HE3 LYS 63 HE3 LYS 63 12.079 8.938 8.296 519 HZ1 LYS 63 HZ1 LYS 63 12.829 8.388 6.097 520 HZ2 LYS 63 HZ2 LYS 63 11.253 8.059 5.582 521 HZ3 LYS 63 HZ3 LYS 63 11.988 7.072 6.742 522 H VAL 64 H VAL 64 6.292 5.106 6.792 523 HA VAL 64 HA VAL 64 7.879 4.106 4.641 524 HB VAL 64 HB VAL 64 5.762 2.641 6.283 525 HG11 VAL 64 HG11 VAL 64 8.051 1.487 4.631 526 HG12 VAL 64 HG12 VAL 64 6.334 1.393 4.229 527 HG13 VAL 64 HG13 VAL 64 6.950 0.560 5.656 528 HG21 VAL 64 HG21 VAL 64 7.630 1.874 7.710 529 HG22 VAL 64 HG22 VAL 64 7.486 3.631 7.738 530 HG23 VAL 64 HG23 VAL 64 8.759 2.865 6.782 531 H LEU 65 H LEU 65 4.326 4.304 5.109 532 HA LEU 65 HA LEU 65 3.625 3.265 2.543 533 HB2 LEU 65 HB2 LEU 65 2.069 4.754 4.665 534 HB3 LEU 65 HB3 LEU 65 1.331 4.406 3.114 535 HG LEU 65 HG LEU 65 0.657 2.734 4.763 536 HD11 LEU 65 HD11 LEU 65 1.238 0.684 3.542 537 HD12 LEU 65 HD12 LEU 65 2.540 1.531 2.703 538 HD13 LEU 65 HD13 LEU 65 0.859 2.001 2.431 539 HD21 LEU 65 HD21 LEU 65 2.530 2.799 6.296 540 HD22 LEU 65 HD22 LEU 65 3.608 2.107 5.082 541 HD23 LEU 65 HD23 LEU 65 2.282 1.139 5.749 542 H HIS 66 H HIS 66 4.433 6.445 3.646 543 HA HIS 66 HA HIS 66 3.467 8.005 1.490 544 HB2 HIS 66 HB2 HIS 66 4.175 8.893 3.730 545 HB3 HIS 66 HB3 HIS 66 5.847 8.598 3.296 546 HD1 HIS 66 HD1 HIS 66 6.882 10.207 1.457 547 HD2 HIS 66 HD2 HIS 66 3.017 11.169 2.652 548 HE1 HIS 66 HE1 HIS 66 6.455 12.505 0.558 549 HE2 HIS 66 HE2 HIS 66 4.086 13.027 1.202 550 H THR 67 H THR 67 6.299 5.923 1.817 551 HA THR 67 HA THR 67 7.859 7.013 -0.336 552 HB THR 67 HB THR 67 9.183 4.998 -0.364 553 HG1 THR 67 HG1 THR 67 7.747 3.491 1.433 554 HG21 THR 67 HG21 THR 67 8.289 5.490 2.496 555 HG22 THR 67 HG22 THR 67 9.547 6.383 1.635 556 HG23 THR 67 HG23 THR 67 9.777 4.674 2.006 557 H ILE 68 H ILE 68 5.361 4.473 -0.206 558 HA ILE 68 HA ILE 68 5.407 3.715 -2.949 559 HB ILE 68 HB ILE 68 3.036 3.580 -1.019 560 HG12 ILE 68 HG12 ILE 68 3.674 1.022 -1.055 561 HG13 ILE 68 HG13 ILE 68 5.248 1.575 -1.616 562 HG21 ILE 68 HG21 ILE 68 2.071 1.892 -2.556 563 HG22 ILE 68 HG22 ILE 68 3.391 2.178 -3.693 564 HG23 ILE 68 HG23 ILE 68 2.245 3.470 -3.327 565 HD11 ILE 68 HD11 ILE 68 5.254 1.165 0.752 566 HD12 ILE 68 HD12 ILE 68 3.908 2.278 0.989 567 HD13 ILE 68 HD13 ILE 68 5.477 2.887 0.452 568 H MET 69 H MET 69 3.495 6.134 -1.164 569 HA MET 69 HA MET 69 1.874 7.148 -3.224 570 HB2 MET 69 HB2 MET 69 3.074 8.651 -0.859 571 HB3 MET 69 HB3 MET 69 1.706 9.202 -1.825 572 HG2 MET 69 HG2 MET 69 1.658 6.603 -0.301 573 HG3 MET 69 HG3 MET 69 1.195 8.139 0.425 574 HE1 MET 69 HE1 MET 69 -2.019 9.092 -1.582 575 HE2 MET 69 HE2 MET 69 -0.381 9.650 -1.926 576 HE3 MET 69 HE3 MET 69 -0.936 9.520 -0.255 577 H ASN 70 H ASN 70 5.172 7.974 -2.304 578 HA ASN 70 HA ASN 70 5.551 10.182 -4.110 579 HB2 ASN 70 HB2 ASN 70 6.752 9.647 -1.873 580 HB3 ASN 70 HB3 ASN 70 7.708 8.482 -2.787 581 HD21 ASN 70 HD21 ASN 70 8.615 10.827 -1.349 582 HD22 ASN 70 HD22 ASN 70 9.413 11.837 -2.496 583 H LEU 71 H LEU 71 6.105 6.727 -4.209 584 HA LEU 71 HA LEU 71 7.864 6.608 -6.473 585 HB2 LEU 71 HB2 LEU 71 7.634 5.000 -4.458 586 HB3 LEU 71 HB3 LEU 71 6.228 4.339 -5.265 587 HG LEU 71 HG LEU 71 9.012 4.331 -6.488 588 HD11 LEU 71 HD11 LEU 71 9.075 3.042 -4.397 589 HD12 LEU 71 HD12 LEU 71 9.202 1.968 -5.787 590 HD13 LEU 71 HD13 LEU 71 7.674 2.097 -4.910 591 HD21 LEU 71 HD21 LEU 71 6.481 2.800 -7.201 592 HD22 LEU 71 HD22 LEU 71 8.069 2.508 -7.918 593 HD23 LEU 71 HD23 LEU 71 7.267 4.057 -8.159 594 H VAL 72 H VAL 72 4.511 5.505 -6.005 595 HA VAL 72 HA VAL 72 3.859 4.877 -8.651 596 HB VAL 72 HB VAL 72 1.990 5.628 -6.358 597 HG11 VAL 72 HG11 VAL 72 1.379 4.088 -8.908 598 HG12 VAL 72 HG12 VAL 72 0.801 5.709 -8.516 599 HG13 VAL 72 HG13 VAL 72 0.258 4.328 -7.562 600 HG21 VAL 72 HG21 VAL 72 2.996 2.891 -7.242 601 HG22 VAL 72 HG22 VAL 72 1.814 3.187 -5.964 602 HG23 VAL 72 HG23 VAL 72 3.477 3.746 -5.773 603 H ASP 73 H ASP 73 3.590 7.958 -6.911 604 HA ASP 73 HA ASP 73 2.075 9.492 -8.698 605 HB2 ASP 73 HB2 ASP 73 2.778 10.223 -6.427 606 HB3 ASP 73 HB3 ASP 73 4.440 10.375 -6.986 607 H LYS 74 H LYS 74 5.532 8.668 -8.790 608 HA LYS 74 HA LYS 74 6.280 10.208 -11.076 609 HB2 LYS 74 HB2 LYS 74 7.514 7.769 -9.774 610 HB3 LYS 74 HB3 LYS 74 8.247 8.592 -11.154 611 HG2 LYS 74 HG2 LYS 74 8.380 10.675 -9.858 612 HG3 LYS 74 HG3 LYS 74 7.644 9.866 -8.465 613 HD2 LYS 74 HD2 LYS 74 9.576 8.351 -8.309 614 HD3 LYS 74 HD3 LYS 74 10.291 9.088 -9.748 615 HE2 LYS 74 HE2 LYS 74 11.349 9.980 -7.728 616 HE3 LYS 74 HE3 LYS 74 10.441 11.246 -8.557 617 HZ1 LYS 74 HZ1 LYS 74 10.131 11.257 -6.138 618 HZ2 LYS 74 HZ2 LYS 74 9.438 9.720 -6.217 619 HZ3 LYS 74 HZ3 LYS 74 8.677 11.028 -6.968 620 H MET 75 H MET 75 5.024 6.922 -10.688 621 HA MET 75 HA MET 75 5.364 5.998 -13.347 622 HB2 MET 75 HB2 MET 75 3.386 5.190 -11.180 623 HB3 MET 75 HB3 MET 75 3.566 4.324 -12.702 624 HG2 MET 75 HG2 MET 75 5.848 3.720 -12.148 625 HG3 MET 75 HG3 MET 75 5.789 4.705 -10.676 626 HE1 MET 75 HE1 MET 75 6.764 2.152 -9.757 627 HE2 MET 75 HE2 MET 75 6.337 1.379 -11.289 628 HE3 MET 75 HE3 MET 75 5.721 0.728 -9.768 629 H LEU 76 H LEU 76 2.675 7.689 -11.739 630 HA LEU 76 HA LEU 76 0.637 7.547 -13.628 631 HB2 LEU 76 HB2 LEU 76 1.321 9.348 -11.354 632 HB3 LEU 76 HB3 LEU 76 0.243 10.073 -12.530 633 HG LEU 76 HG LEU 76 -1.408 8.281 -12.203 634 HD11 LEU 76 HD11 LEU 76 0.481 7.063 -10.165 635 HD12 LEU 76 HD12 LEU 76 0.084 6.385 -11.744 636 HD13 LEU 76 HD13 LEU 76 -1.167 6.526 -10.514 637 HD21 LEU 76 HD21 LEU 76 -1.538 10.240 -10.724 638 HD22 LEU 76 HD22 LEU 76 -0.500 9.435 -9.542 639 HD23 LEU 76 HD23 LEU 76 -2.102 8.786 -9.903 640 H ASN 77 H ASN 77 3.373 9.811 -13.614 641 HA ASN 77 HA ASN 77 2.519 10.928 -16.209 642 HB2 ASN 77 HB2 ASN 77 4.722 12.390 -15.762 643 HB3 ASN 77 HB3 ASN 77 3.179 12.772 -15.009 644 HD21 ASN 77 HD21 ASN 77 6.251 11.125 -14.433 645 HD22 ASN 77 HD22 ASN 77 6.260 11.371 -12.728 646 H SER 78 H SER 78 3.412 10.376 -18.072 647 HA SER 78 HA SER 78 4.967 7.983 -18.279 648 HB2 SER 78 HB2 SER 78 3.099 8.604 -19.812 649 HB3 SER 78 HB3 SER 78 4.075 9.918 -20.457 650 HG SER 78 HG SER 78 4.614 7.133 -20.634 651 H GLU 79 H GLU 79 6.069 11.044 -17.688 652 HA GLU 79 HA GLU 79 8.359 11.315 -19.364 653 HB2 GLU 79 HB2 GLU 79 9.071 13.027 -17.703 654 HB3 GLU 79 HB3 GLU 79 7.379 13.217 -18.140 655 HG2 GLU 79 HG2 GLU 79 6.658 12.185 -16.071 656 HG3 GLU 79 HG3 GLU 79 8.324 11.845 -15.624 657 H ILE 80 H ILE 80 7.703 9.549 -16.449 658 HA ILE 80 HA ILE 80 10.512 8.944 -15.828 659 HB ILE 80 HB ILE 80 7.928 8.218 -14.364 660 HG12 ILE 80 HG12 ILE 80 8.421 10.695 -14.494 661 HG13 ILE 80 HG13 ILE 80 8.325 10.080 -12.876 662 HG21 ILE 80 HG21 ILE 80 9.350 7.694 -12.406 663 HG22 ILE 80 HG22 ILE 80 10.795 7.945 -13.389 664 HG23 ILE 80 HG23 ILE 80 9.682 6.631 -13.774 665 HD11 ILE 80 HD11 ILE 80 10.877 10.691 -14.367 666 HD12 ILE 80 HD12 ILE 80 10.763 10.137 -12.693 667 HD13 ILE 80 HD13 ILE 80 10.113 11.710 -13.149 668 H LYS 81 H LYS 81 7.527 7.426 -16.937 669 HA LYS 81 HA LYS 81 6.866 5.407 -17.649 670 HB2 LYS 81 HB2 LYS 81 9.817 4.939 -18.218 671 HB3 LYS 81 HB3 LYS 81 8.529 3.851 -18.731 672 HG2 LYS 81 HG2 LYS 81 7.568 5.669 -20.126 673 HG3 LYS 81 HG3 LYS 81 8.879 6.739 -19.617 674 HD2 LYS 81 HD2 LYS 81 9.372 5.819 -21.834 675 HD3 LYS 81 HD3 LYS 81 10.532 5.199 -20.658 676 HE2 LYS 81 HE2 LYS 81 9.191 3.079 -20.519 677 HE3 LYS 81 HE3 LYS 81 8.124 3.707 -21.778 678 HZ1 LYS 81 HZ1 LYS 81 10.057 3.815 -23.253 679 HZ2 LYS 81 HZ2 LYS 81 9.759 2.241 -22.715 680 HZ3 LYS 81 HZ3 LYS 81 11.028 3.138 -22.047 681 H ILE 82 H ILE 82 7.059 2.955 -17.273 682 HA ILE 82 HA ILE 82 7.512 2.573 -14.368 683 HB ILE 82 HB ILE 82 5.550 1.082 -16.182 684 HG12 ILE 82 HG12 ILE 82 3.804 2.226 -14.631 685 HG13 ILE 82 HG13 ILE 82 5.104 3.290 -14.119 686 HG21 ILE 82 HG21 ILE 82 4.672 0.067 -14.104 687 HG22 ILE 82 HG22 ILE 82 5.958 0.847 -13.179 688 HG23 ILE 82 HG23 ILE 82 6.356 -0.375 -14.388 689 HD11 ILE 82 HD11 ILE 82 5.332 4.084 -16.436 690 HD12 ILE 82 HD12 ILE 82 3.720 4.348 -15.779 691 HD13 ILE 82 HD13 ILE 82 4.003 3.027 -16.910 692 H THR 83 H THR 83 9.508 1.767 -14.190 693 HA THR 83 HA THR 83 10.664 -0.230 -15.855 694 HB THR 83 HB THR 83 11.423 0.634 -13.025 695 HG1 THR 83 HG1 THR 83 11.822 1.743 -15.494 696 HG21 THR 83 HG21 THR 83 13.118 -0.929 -15.015 697 HG22 THR 83 HG22 THR 83 12.425 -1.584 -13.530 698 HG23 THR 83 HG23 THR 83 13.657 -0.323 -13.447 699 H SER 84 H SER 84 10.772 -2.472 -15.585 700 HA SER 84 HA SER 84 8.688 -3.908 -14.416 701 HB2 SER 84 HB2 SER 84 10.105 -4.840 -16.205 702 HB3 SER 84 HB3 SER 84 11.487 -4.903 -15.112 703 HG SER 84 HG SER 84 9.185 -6.495 -15.180 704 H ASP 85 H ASP 85 12.079 -3.758 -13.183 705 HA ASP 85 HA ASP 85 11.573 -5.034 -10.701 706 HB2 ASP 85 HB2 ASP 85 13.839 -3.202 -11.545 707 HB3 ASP 85 HB3 ASP 85 13.821 -4.127 -10.044 708 H LEU 86 H LEU 86 10.982 -1.746 -11.657 709 HA LEU 86 HA LEU 86 11.077 -0.548 -9.047 710 HB2 LEU 86 HB2 LEU 86 11.225 0.750 -11.188 711 HB3 LEU 86 HB3 LEU 86 9.529 0.398 -11.482 712 HG LEU 86 HG LEU 86 9.038 1.553 -9.246 713 HD11 LEU 86 HD11 LEU 86 11.883 2.567 -9.565 714 HD12 LEU 86 HD12 LEU 86 11.273 1.524 -8.277 715 HD13 LEU 86 HD13 LEU 86 10.688 3.179 -8.416 716 HD21 LEU 86 HD21 LEU 86 10.160 3.235 -11.527 717 HD22 LEU 86 HD22 LEU 86 9.087 3.819 -10.251 718 HD23 LEU 86 HD23 LEU 86 8.512 2.607 -11.394 719 H ILE 87 H ILE 87 8.537 -2.083 -10.984 720 HA ILE 87 HA ILE 87 6.306 -1.725 -9.288 721 HB ILE 87 HB ILE 87 6.940 -4.215 -10.932 722 HG12 ILE 87 HG12 ILE 87 5.444 -1.747 -11.914 723 HG13 ILE 87 HG13 ILE 87 7.128 -2.095 -12.292 724 HG21 ILE 87 HG21 ILE 87 4.500 -4.532 -11.108 725 HG22 ILE 87 HG22 ILE 87 4.235 -3.107 -10.101 726 HG23 ILE 87 HG23 ILE 87 5.022 -4.534 -9.421 727 HD11 ILE 87 HD11 ILE 87 4.735 -3.750 -13.102 728 HD12 ILE 87 HD12 ILE 87 6.420 -4.152 -13.456 729 HD13 ILE 87 HD13 ILE 87 5.696 -2.695 -14.136 730 H ASP 88 H ASP 88 9.019 -3.985 -9.236 731 HA ASP 88 HA ASP 88 8.070 -5.747 -7.183 732 HB2 ASP 88 HB2 ASP 88 10.865 -5.276 -8.302 733 HB3 ASP 88 HB3 ASP 88 10.495 -6.512 -7.098 734 H LYS 89 H LYS 89 9.792 -2.677 -7.187 735 HA LYS 89 HA LYS 89 10.695 -2.757 -4.466 736 HB2 LYS 89 HB2 LYS 89 10.217 -0.466 -6.409 737 HB3 LYS 89 HB3 LYS 89 10.841 -0.221 -4.781 738 HG2 LYS 89 HG2 LYS 89 12.764 -1.681 -5.284 739 HG3 LYS 89 HG3 LYS 89 12.147 -1.930 -6.920 740 HD2 LYS 89 HD2 LYS 89 12.544 0.367 -7.508 741 HD3 LYS 89 HD3 LYS 89 12.868 0.817 -5.831 742 HE2 LYS 89 HE2 LYS 89 14.943 0.647 -7.176 743 HE3 LYS 89 HE3 LYS 89 14.918 -0.500 -5.836 744 HZ1 LYS 89 HZ1 LYS 89 15.737 -1.453 -7.928 745 HZ2 LYS 89 HZ2 LYS 89 14.228 -1.180 -8.638 746 HZ3 LYS 89 HZ3 LYS 89 14.369 -2.256 -7.343 747 H VAL 90 H VAL 90 7.754 -1.472 -6.030 748 HA VAL 90 HA VAL 90 6.386 -0.477 -3.740 749 HB VAL 90 HB VAL 90 5.039 -1.794 -6.152 750 HG11 VAL 90 HG11 VAL 90 3.493 -1.260 -4.334 751 HG12 VAL 90 HG12 VAL 90 3.192 -0.196 -5.707 752 HG13 VAL 90 HG13 VAL 90 4.061 0.414 -4.297 753 HG21 VAL 90 HG21 VAL 90 6.673 -0.237 -7.052 754 HG22 VAL 90 HG22 VAL 90 6.093 1.051 -5.987 755 HG23 VAL 90 HG23 VAL 90 5.050 0.427 -7.268 756 H LYS 91 H LYS 91 6.394 -3.618 -5.321 757 HA LYS 91 HA LYS 91 4.471 -5.010 -3.818 758 HB2 LYS 91 HB2 LYS 91 5.775 -5.485 -6.119 759 HB3 LYS 91 HB3 LYS 91 6.827 -6.430 -5.084 760 HG2 LYS 91 HG2 LYS 91 3.835 -6.890 -5.127 761 HG3 LYS 91 HG3 LYS 91 4.881 -7.591 -6.363 762 HD2 LYS 91 HD2 LYS 91 6.187 -8.707 -4.504 763 HD3 LYS 91 HD3 LYS 91 4.957 -8.131 -3.371 764 HE2 LYS 91 HE2 LYS 91 4.540 -10.470 -4.065 765 HE3 LYS 91 HE3 LYS 91 3.230 -9.407 -4.580 766 HZ1 LYS 91 HZ1 LYS 91 4.180 -9.362 -6.805 767 HZ2 LYS 91 HZ2 LYS 91 3.878 -10.950 -6.321 768 HZ3 LYS 91 HZ3 LYS 91 5.456 -10.354 -6.305 769 H LYS 92 H LYS 92 7.974 -4.660 -3.404 770 HA LYS 92 HA LYS 92 8.301 -6.373 -1.159 771 HB2 LYS 92 HB2 LYS 92 10.261 -6.019 -2.379 772 HB3 LYS 92 HB3 LYS 92 10.005 -4.287 -2.505 773 HG2 LYS 92 HG2 LYS 92 10.924 -3.839 -0.426 774 HG3 LYS 92 HG3 LYS 92 10.484 -5.410 0.224 775 HD2 LYS 92 HD2 LYS 92 12.292 -6.476 -1.070 776 HD3 LYS 92 HD3 LYS 92 12.699 -4.923 -1.807 777 HE2 LYS 92 HE2 LYS 92 13.330 -4.050 0.428 778 HE3 LYS 92 HE3 LYS 92 12.938 -5.614 1.144 779 HZ1 LYS 92 HZ1 LYS 92 14.677 -6.622 -0.183 780 HZ2 LYS 92 HZ2 LYS 92 15.307 -5.362 0.752 781 HZ3 LYS 92 HZ3 LYS 92 15.035 -5.133 -0.898 782 H LYS 93 H LYS 93 7.812 -2.866 -1.430 783 HA LYS 93 HA LYS 93 7.956 -2.092 1.246 784 HB2 LYS 93 HB2 LYS 93 6.116 -1.055 -0.946 785 HB3 LYS 93 HB3 LYS 93 6.291 -0.268 0.617 786 HG2 LYS 93 HG2 LYS 93 8.531 -0.655 -1.387 787 HG3 LYS 93 HG3 LYS 93 7.574 0.816 -1.206 788 HD2 LYS 93 HD2 LYS 93 8.412 1.031 1.140 789 HD3 LYS 93 HD3 LYS 93 9.412 -0.408 0.898 790 HE2 LYS 93 HE2 LYS 93 10.611 0.771 -0.946 791 HE3 LYS 93 HE3 LYS 93 9.635 2.211 -0.636 792 HZ1 LYS 93 HZ1 LYS 93 10.565 2.245 1.624 793 HZ2 LYS 93 HZ2 LYS 93 11.737 2.428 0.422 794 HZ3 LYS 93 HZ3 LYS 93 11.569 0.944 1.217 795 H LEU 94 H LEU 94 5.200 -3.490 -0.519 796 HA LEU 94 HA LEU 94 3.361 -3.391 1.694 797 HB2 LEU 94 HB2 LEU 94 2.631 -3.381 -0.671 798 HB3 LEU 94 HB3 LEU 94 3.232 -5.023 -0.861 799 HG LEU 94 HG LEU 94 1.564 -5.772 0.885 800 HD11 LEU 94 HD11 LEU 94 1.237 -3.664 2.075 801 HD12 LEU 94 HD12 LEU 94 -0.298 -4.289 1.485 802 HD13 LEU 94 HD13 LEU 94 0.483 -2.947 0.646 803 HD21 LEU 94 HD21 LEU 94 1.074 -6.066 -1.479 804 HD22 LEU 94 HD22 LEU 94 0.405 -4.437 -1.575 805 HD23 LEU 94 HD23 LEU 94 -0.398 -5.667 -0.597 806 H ASP 95 H ASP 95 5.402 -5.947 0.262 807 HA ASP 95 HA ASP 95 4.852 -8.064 2.017 808 HB2 ASP 95 HB2 ASP 95 7.264 -7.276 0.371 809 HB3 ASP 95 HB3 ASP 95 7.444 -8.580 1.534 810 H MET 96 H MET 96 6.844 -5.218 2.446 811 HA MET 96 HA MET 96 8.123 -5.908 4.895 812 HB2 MET 96 HB2 MET 96 9.108 -4.184 3.578 813 HB3 MET 96 HB3 MET 96 7.599 -3.311 3.437 814 HG2 MET 96 HG2 MET 96 7.745 -2.650 5.805 815 HG3 MET 96 HG3 MET 96 9.243 -3.562 5.967 816 HE1 MET 96 HE1 MET 96 11.527 -2.883 4.689 817 HE2 MET 96 HE2 MET 96 11.667 -1.486 3.623 818 HE3 MET 96 HE3 MET 96 10.698 -2.877 3.132 819 H VAL 97 H VAL 97 5.065 -4.208 4.141 820 HA VAL 97 HA VAL 97 4.285 -3.532 6.786 821 HB VAL 97 HB VAL 97 2.452 -4.211 4.430 822 HG11 VAL 97 HG11 VAL 97 1.845 -2.608 6.952 823 HG12 VAL 97 HG12 VAL 97 1.206 -4.204 6.553 824 HG13 VAL 97 HG13 VAL 97 0.751 -2.809 5.578 825 HG21 VAL 97 HG21 VAL 97 2.393 -1.778 3.969 826 HG22 VAL 97 HG22 VAL 97 4.030 -2.419 3.823 827 HG23 VAL 97 HG23 VAL 97 3.569 -1.500 5.259 828 H THR 98 H THR 98 3.498 -6.388 4.789 829 HA THR 98 HA THR 98 1.942 -7.804 6.676 830 HB THR 98 HB THR 98 3.560 -8.974 4.365 831 HG1 THR 98 HG1 THR 98 1.729 -8.548 3.120 832 HG21 THR 98 HG21 THR 98 2.659 -10.723 5.874 833 HG22 THR 98 HG22 THR 98 1.815 -10.739 4.324 834 HG23 THR 98 HG23 THR 98 1.045 -10.017 5.740 835 H ARG 99 H ARG 99 5.428 -8.010 5.914 836 HA ARG 99 HA ARG 99 6.035 -10.059 7.821 837 HB2 ARG 99 HB2 ARG 99 7.807 -8.175 6.232 838 HB3 ARG 99 HB3 ARG 99 8.474 -9.316 7.400 839 HG2 ARG 99 HG2 ARG 99 7.498 -11.202 6.129 840 HG3 ARG 99 HG3 ARG 99 6.811 -10.068 4.964 841 HD2 ARG 99 HD2 ARG 99 9.783 -10.426 5.499 842 HD3 ARG 99 HD3 ARG 99 8.898 -11.162 4.157 843 HE ARG 99 HE ARG 99 8.891 -8.227 4.407 844 HH11 ARG 99 HH11 ARG 99 9.978 -11.023 2.673 845 HH12 ARG 99 HH12 ARG 99 10.556 -10.092 1.340 846 HH21 ARG 99 HH21 ARG 99 9.629 -7.069 2.656 847 HH22 ARG 99 HH22 ARG 99 10.344 -7.900 1.318 848 H GLU 100 H GLU 100 5.889 -6.537 8.039 849 HA GLU 100 HA GLU 100 7.102 -6.248 10.602 850 HB2 GLU 100 HB2 GLU 100 6.577 -4.312 9.110 851 HB3 GLU 100 HB3 GLU 100 4.856 -4.579 9.378 852 HG2 GLU 100 HG2 GLU 100 5.273 -4.174 11.844 853 HG3 GLU 100 HG3 GLU 100 6.923 -3.717 11.428 854 H LEU 101 H LEU 101 3.709 -6.742 9.579 855 HA LEU 101 HA LEU 101 2.461 -6.980 12.091 856 HB2 LEU 101 HB2 LEU 101 1.742 -8.440 9.516 857 HB3 LEU 101 HB3 LEU 101 0.683 -8.261 10.908 858 HG LEU 101 HG LEU 101 1.665 -5.977 9.145 859 HD11 LEU 101 HD11 LEU 101 0.094 -7.419 7.945 860 HD12 LEU 101 HD12 LEU 101 -0.639 -5.861 8.309 861 HD13 LEU 101 HD13 LEU 101 -1.076 -7.281 9.263 862 HD21 LEU 101 HD21 LEU 101 -0.336 -5.936 11.428 863 HD22 LEU 101 HD22 LEU 101 0.041 -4.582 10.359 864 HD23 LEU 101 HD23 LEU 101 1.278 -5.216 11.439 865 H ASP 102 H ASP 102 4.211 -9.383 10.150 866 HA ASP 102 HA ASP 102 3.685 -11.700 11.685 867 HB2 ASP 102 HB2 ASP 102 4.591 -11.839 9.415 868 HB3 ASP 102 HB3 ASP 102 6.056 -10.994 9.908 869 H LYS 103 H LYS 103 6.341 -9.315 11.874 870 HA LYS 103 HA LYS 103 7.770 -10.493 14.035 871 HB2 LYS 103 HB2 LYS 103 7.681 -7.590 13.111 872 HB3 LYS 103 HB3 LYS 103 8.863 -8.242 14.244 873 HG2 LYS 103 HG2 LYS 103 9.707 -9.761 12.471 874 HG3 LYS 103 HG3 LYS 103 8.527 -9.091 11.350 875 HD2 LYS 103 HD2 LYS 103 10.514 -7.958 10.795 876 HD3 LYS 103 HD3 LYS 103 9.654 -6.798 11.803 877 HE2 LYS 103 HE2 LYS 103 11.897 -8.620 12.763 878 HE3 LYS 103 HE3 LYS 103 12.095 -6.930 12.312 879 HZ1 LYS 103 HZ1 LYS 103 11.959 -7.103 14.663 880 HZ2 LYS 103 HZ2 LYS 103 10.528 -7.996 14.591 881 HZ3 LYS 103 HZ3 LYS 103 10.531 -6.369 14.124 882 H LYS 104 H LYS 104 5.036 -8.260 13.942 883 HA LYS 104 HA LYS 104 5.156 -7.602 16.767 884 HB2 LYS 104 HB2 LYS 104 3.106 -6.885 14.639 885 HB3 LYS 104 HB3 LYS 104 3.082 -6.275 16.295 886 HG2 LYS 104 HG2 LYS 104 5.334 -5.262 15.919 887 HG3 LYS 104 HG3 LYS 104 5.277 -5.799 14.242 888 HD2 LYS 104 HD2 LYS 104 3.361 -3.835 15.558 889 HD3 LYS 104 HD3 LYS 104 4.686 -3.406 14.477 890 HE2 LYS 104 HE2 LYS 104 3.558 -4.730 12.663 891 HE3 LYS 104 HE3 LYS 104 2.197 -4.997 13.758 892 HZ1 LYS 104 HZ1 LYS 104 1.941 -2.558 13.874 893 HZ2 LYS 104 HZ2 LYS 104 1.722 -3.173 12.319 894 HZ3 LYS 104 HZ3 LYS 104 3.166 -2.388 12.716 895 H VAL 105 H VAL 105 3.125 -9.761 14.752 896 HA VAL 105 HA VAL 105 1.364 -10.523 16.883 897 HB VAL 105 HB VAL 105 0.799 -10.810 14.435 898 HG11 VAL 105 HG11 VAL 105 1.564 -12.795 13.204 899 HG12 VAL 105 HG12 VAL 105 2.622 -13.239 14.544 900 HG13 VAL 105 HG13 VAL 105 2.929 -11.761 13.632 901 HG21 VAL 105 HG21 VAL 105 -0.559 -11.924 16.159 902 HG22 VAL 105 HG22 VAL 105 0.511 -13.326 16.120 903 HG23 VAL 105 HG23 VAL 105 -0.461 -12.920 14.705 904 H SER 106 H SER 106 4.558 -11.481 15.915 905 HA SER 106 HA SER 106 4.839 -13.875 17.448 906 HB2 SER 106 HB2 SER 106 6.391 -13.283 15.611 907 HB3 SER 106 HB3 SER 106 6.968 -11.892 16.524 908 HG SER 106 HG SER 106 7.507 -14.602 16.850 909 H GLY 107 H GLY 107 5.068 -10.433 18.270 910 HA2 GLY 107 HA2 GLY 107 4.746 -10.817 21.034 911 HA3 GLY 107 HA3 GLY 107 6.470 -10.668 20.739 912 H SER 108 H SER 108 3.353 -8.985 20.265 913 HA SER 108 HA SER 108 4.716 -6.351 20.468 914 HB2 SER 108 HB2 SER 108 2.557 -5.391 19.637 915 HB3 SER 108 HB3 SER 108 3.247 -6.554 18.506 916 HG SER 108 HG SER 108 1.214 -7.178 20.398 917 H TYR 109 H TYR 109 3.807 -4.730 21.875 918 HA TYR 109 HA TYR 109 1.947 -5.542 23.977 919 HB2 TYR 109 HB2 TYR 109 3.520 -4.807 25.810 920 HB3 TYR 109 HB3 TYR 109 4.014 -6.276 24.988 921 HD1 TYR 109 HD2 TYR 109 5.936 -6.150 23.287 922 HD2 TYR 109 HD1 TYR 109 5.007 -2.894 25.903 923 HE1 TYR 109 HE2 TYR 109 8.165 -5.199 22.894 924 HE2 TYR 109 HE1 TYR 109 7.241 -1.944 25.506 925 HH TYR 109 HH TYR 109 9.255 -2.947 22.996 926 H LEU 110 H LEU 110 0.573 -3.921 24.402 927 HA LEU 110 HA LEU 110 1.121 -1.199 23.419 928 HB2 LEU 110 HB2 LEU 110 -1.482 -2.440 24.401 929 HB3 LEU 110 HB3 LEU 110 -1.314 -0.832 23.708 930 HG LEU 110 HG LEU 110 -0.898 -3.473 22.235 931 HD11 LEU 110 HD11 LEU 110 -3.079 -1.381 21.913 932 HD12 LEU 110 HD12 LEU 110 -3.265 -2.962 22.676 933 HD13 LEU 110 HD13 LEU 110 -2.895 -2.856 20.958 934 HD21 LEU 110 HD21 LEU 110 -0.656 -0.639 21.150 935 HD22 LEU 110 HD22 LEU 110 -0.589 -2.121 20.192 936 HD23 LEU 110 HD23 LEU 110 0.668 -1.785 21.376 937 H VAL 111 H VAL 111 1.875 0.259 24.831 938 HA VAL 111 HA VAL 111 1.434 0.077 27.726 939 HB VAL 111 HB VAL 111 2.958 2.075 27.840 940 HG11 VAL 111 HG11 VAL 111 4.060 -0.253 26.209 941 HG12 VAL 111 HG12 VAL 111 3.926 -0.181 27.968 942 HG13 VAL 111 HG13 VAL 111 5.030 0.906 27.123 943 HG21 VAL 111 HG21 VAL 111 3.144 1.795 24.807 944 HG22 VAL 111 HG22 VAL 111 4.130 2.870 25.802 945 HG23 VAL 111 HG23 VAL 111 2.392 3.137 25.678 946 HA PRO 112 HA PRO 112 -2.051 2.879 28.018 947 HB2 PRO 112 HB2 PRO 112 -1.392 4.596 30.113 948 HB3 PRO 112 HB3 PRO 112 -1.949 2.932 30.329 949 HG2 PRO 112 HG2 PRO 112 0.875 3.998 30.302 950 HG3 PRO 112 HG3 PRO 112 0.124 2.847 31.431 951 HD2 PRO 112 HD2 PRO 112 1.705 1.977 29.448 952 HD3 PRO 112 HD3 PRO 112 0.244 1.066 29.897 953 H ARG 113 H ARG 113 1.063 4.661 28.084 954 HA ARG 113 HA ARG 113 -0.110 6.739 26.302 955 HB2 ARG 113 HB2 ARG 113 2.152 6.935 28.328 956 HB3 ARG 113 HB3 ARG 113 1.996 8.101 27.025 957 HG2 ARG 113 HG2 ARG 113 0.989 9.105 28.930 958 HG3 ARG 113 HG3 ARG 113 -0.335 8.624 27.871 959 HD2 ARG 113 HD2 ARG 113 -0.632 6.567 29.299 960 HD3 ARG 113 HD3 ARG 113 0.595 7.215 30.394 961 HE ARG 113 HE ARG 113 -1.449 9.128 29.993 962 HH11 ARG 113 HH11 ARG 113 -0.916 6.150 31.692 963 HH12 ARG 113 HH12 ARG 113 -2.138 6.494 32.862 964 HH21 ARG 113 HH21 ARG 113 -3.001 9.518 31.503 965 HH22 ARG 113 HH22 ARG 113 -3.291 8.365 32.756
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