NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11506 | 1rkn | 4905 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT1 ALA 1 -10.134 -10.583 -22.550 2 2H ALA 1 HT2 ALA 1 -10.029 -12.281 -22.317 3 3H ALA 1 HT3 ALA 1 -8.876 -11.239 -21.588 4 HA ALA 1 HA ALA 1 -11.733 -11.010 -21.013 5 1HB ALA 1 HB1 ALA 1 -11.126 -13.332 -20.588 6 2HB ALA 1 HB2 ALA 1 -11.401 -12.466 -19.077 7 3HB ALA 1 HB3 ALA 1 -9.755 -12.805 -19.612 8 H THR 2 HN THR 2 -8.526 -11.079 -19.445 9 HA THR 2 HA THR 2 -9.275 -8.807 -17.802 10 HB THR 2 HB THR 2 -7.018 -9.169 -16.771 11 HG1 THR 2 HG1 THR 2 -5.935 -10.110 -18.486 12 1HG2 THR 2 HG21 THR 2 -7.503 -11.268 -15.677 13 2HG2 THR 2 HG22 THR 2 -8.696 -11.662 -16.915 14 3HG2 THR 2 HG23 THR 2 -8.970 -10.301 -15.827 15 H SER 3 HN SER 3 -9.035 -6.813 -18.547 16 HA SER 3 HA SER 3 -7.145 -6.252 -20.680 17 1HB SER 3 HB2 SER 3 -9.639 -5.310 -20.212 18 2HB SER 3 HB1 SER 3 -8.682 -4.029 -19.468 19 HG SER 3 HG SER 3 -8.477 -4.984 -22.133 20 H THR 4 HN THR 4 -5.130 -5.665 -20.268 21 HA THR 4 HA THR 4 -4.387 -4.719 -17.628 22 HB THR 4 HB THR 4 -2.623 -5.167 -20.042 23 HG1 THR 4 HG1 THR 4 -3.819 -7.050 -19.318 24 1HG2 THR 4 HG21 THR 4 -1.736 -3.844 -18.041 25 2HG2 THR 4 HG22 THR 4 -0.792 -5.218 -18.619 26 3HG2 THR 4 HG23 THR 4 -1.795 -5.381 -17.177 27 H LYS 5 HN LYS 5 -4.858 -2.632 -17.274 28 HA LYS 5 HA LYS 5 -4.525 -0.656 -19.373 29 1HB LYS 5 HB2 LYS 5 -6.054 -0.872 -16.952 30 2HB LYS 5 HB1 LYS 5 -5.105 0.608 -16.907 31 1HG LYS 5 HG2 LYS 5 -6.265 1.569 -18.593 32 2HG LYS 5 HG1 LYS 5 -6.550 0.036 -19.420 33 1HD LYS 5 HD2 LYS 5 -8.440 -0.416 -18.224 34 2HD LYS 5 HD1 LYS 5 -7.874 0.452 -16.795 35 1HE LYS 5 HE2 LYS 5 -8.134 2.557 -18.295 36 2HE LYS 5 HE1 LYS 5 -9.171 1.518 -19.272 37 1HZ LYS 5 HZ1 LYS 5 -10.615 2.544 -17.791 38 2HZ LYS 5 HZ2 LYS 5 -9.556 2.399 -16.480 39 3HZ LYS 5 HZ3 LYS 5 -10.351 1.031 -17.079 40 H LYS 6 HN LYS 6 -3.232 1.252 -19.114 41 HA LYS 6 HA LYS 6 -0.649 0.667 -17.990 42 1HB LYS 6 HB2 LYS 6 -1.763 2.547 -19.902 43 2HB LYS 6 HB1 LYS 6 -0.646 3.339 -18.799 44 1HG LYS 6 HG2 LYS 6 0.893 1.302 -19.375 45 2HG LYS 6 HG1 LYS 6 -0.135 1.202 -20.807 46 1HD LYS 6 HD2 LYS 6 0.811 3.906 -20.163 47 2HD LYS 6 HD1 LYS 6 2.086 2.763 -20.591 48 1HE LYS 6 HE2 LYS 6 0.849 2.201 -22.649 49 2HE LYS 6 HE1 LYS 6 -0.365 3.408 -22.227 50 1HZ LYS 6 HZ1 LYS 6 1.840 4.877 -22.098 51 2HZ LYS 6 HZ2 LYS 6 0.930 4.703 -23.512 52 3HZ LYS 6 HZ3 LYS 6 2.318 3.766 -23.281 53 H LEU 7 HN LEU 7 -0.318 0.879 -15.880 54 HA LEU 7 HA LEU 7 -1.771 2.893 -14.357 55 1HB LEU 7 HB2 LEU 7 -0.529 1.780 -12.413 56 2HB LEU 7 HB1 LEU 7 -1.773 0.855 -13.232 57 HG LEU 7 HG LEU 7 1.000 0.506 -14.219 58 1HD1 LEU 7 HD11 LEU 7 0.980 -1.362 -12.275 59 2HD1 LEU 7 HD12 LEU 7 0.181 -0.028 -11.444 60 3HD1 LEU 7 HD13 LEU 7 1.788 0.199 -12.134 61 1HD2 LEU 7 HD21 LEU 7 -1.299 -0.657 -14.860 62 2HD2 LEU 7 HD22 LEU 7 -0.842 -1.712 -13.522 63 3HD2 LEU 7 HD23 LEU 7 0.236 -1.524 -14.905 64 H HIS 8 HN HIS 8 -0.947 4.846 -14.064 65 HA HIS 8 HA HIS 8 1.881 5.325 -14.522 66 1HB HIS 8 HB2 HIS 8 -0.253 7.339 -13.797 67 2HB HIS 8 HB1 HIS 8 1.325 7.665 -14.507 68 HD1 HIS 8 HD1 HIS 8 -1.262 8.635 -15.869 69 HD2 HIS 8 HD2 HIS 8 0.655 5.059 -16.767 70 HE1 HIS 8 HE1 HIS 8 -1.992 8.049 -18.202 71 HE2 HIS 8 HE2 HIS 8 -0.747 5.931 -18.759 72 H LYS 9 HN LYS 9 3.101 6.724 -13.013 73 HA LYS 9 HA LYS 9 2.685 5.802 -10.276 74 1HB LYS 9 HB2 LYS 9 5.024 7.427 -11.247 75 2HB LYS 9 HB1 LYS 9 4.946 6.339 -9.869 76 1HG LYS 9 HG2 LYS 9 4.631 5.338 -12.676 77 2HG LYS 9 HG1 LYS 9 6.218 5.560 -11.936 78 1HD LYS 9 HD2 LYS 9 5.827 3.371 -11.392 79 2HD LYS 9 HD1 LYS 9 5.122 4.167 -9.984 80 1HE LYS 9 HE2 LYS 9 3.490 2.633 -10.598 81 2HE LYS 9 HE1 LYS 9 2.930 4.132 -11.335 82 1HZ LYS 9 HZ1 LYS 9 3.312 3.362 -13.409 83 2HZ LYS 9 HZ2 LYS 9 3.099 1.859 -12.665 84 3HZ LYS 9 HZ3 LYS 9 4.659 2.442 -12.960 85 H GLU 10 HN GLU 10 1.730 7.041 -8.809 86 HA GLU 10 HA GLU 10 1.830 9.964 -9.166 87 1HB GLU 10 HB2 GLU 10 -0.440 8.250 -8.151 88 2HB GLU 10 HB1 GLU 10 -0.394 9.999 -7.974 89 1HG GLU 10 HG2 GLU 10 -0.509 8.420 -10.529 90 2HG GLU 10 HG1 GLU 10 -1.742 9.490 -9.862 91 HA PRO 11 HA PRO 11 3.578 9.832 -5.078 92 1HB PRO 11 HB2 PRO 11 3.915 12.452 -4.694 93 2HB PRO 11 HB1 PRO 11 4.866 11.573 -5.898 94 1HG PRO 11 HG2 PRO 11 2.505 13.360 -6.282 95 2HG PRO 11 HG1 PRO 11 3.961 13.195 -7.277 96 1HD PRO 11 HD2 PRO 11 1.504 12.009 -7.813 97 2HD PRO 11 HD1 PRO 11 3.059 11.494 -8.492 98 H ALA 12 HN ALA 12 2.600 9.554 -3.186 99 HA ALA 12 HA ALA 12 0.619 11.460 -2.249 100 1HB ALA 12 HB1 ALA 12 -0.006 8.563 -2.753 101 2HB ALA 12 HB2 ALA 12 -0.864 9.987 -3.340 102 3HB ALA 12 HB3 ALA 12 -0.939 9.556 -1.632 103 H THR 13 HN THR 13 0.981 11.877 -0.167 104 HA THR 13 HA THR 13 2.848 10.206 1.288 105 HB THR 13 HB THR 13 2.396 12.086 3.065 106 HG1 THR 13 HG1 THR 13 1.186 13.653 2.415 107 1HG2 THR 13 HG21 THR 13 4.424 12.665 2.420 108 2HG2 THR 13 HG22 THR 13 3.715 13.588 1.095 109 3HG2 THR 13 HG23 THR 13 4.177 11.904 0.848 110 H LEU 14 HN LEU 14 2.075 8.473 2.260 111 HA LEU 14 HA LEU 14 -0.601 8.173 3.163 112 1HB LEU 14 HB2 LEU 14 1.242 6.413 2.485 113 2HB LEU 14 HB1 LEU 14 1.645 6.493 4.187 114 HG LEU 14 HG LEU 14 -1.052 5.731 3.071 115 1HD1 LEU 14 HD11 LEU 14 1.240 4.115 4.140 116 2HD1 LEU 14 HD12 LEU 14 0.409 3.956 2.592 117 3HD1 LEU 14 HD13 LEU 14 -0.412 3.499 4.085 118 1HD2 LEU 14 HD21 LEU 14 -1.599 5.136 5.368 119 2HD2 LEU 14 HD22 LEU 14 -1.184 6.845 5.251 120 3HD2 LEU 14 HD23 LEU 14 -0.016 5.697 5.904 121 H ILE 15 HN ILE 15 -1.412 9.169 4.895 122 HA ILE 15 HA ILE 15 0.276 10.318 6.895 123 HB ILE 15 HB ILE 15 -1.785 11.028 8.007 124 1HG1 ILE 15 HG12 ILE 15 -3.928 10.549 6.584 125 2HG1 ILE 15 HG11 ILE 15 -3.022 9.147 6.026 126 1HG2 ILE 15 HG21 ILE 15 -1.274 11.514 5.132 127 2HG2 ILE 15 HG22 ILE 15 -1.250 12.632 6.496 128 3HG2 ILE 15 HG23 ILE 15 -2.789 12.126 5.798 129 1HD1 ILE 15 HD11 ILE 15 -4.507 9.477 8.424 130 2HD1 ILE 15 HD12 ILE 15 -2.811 9.216 8.840 131 3HD1 ILE 15 HD13 ILE 15 -3.661 8.046 7.830 132 H LYS 16 HN LYS 16 -1.970 7.545 6.892 133 HA LYS 16 HA LYS 16 -0.478 6.253 8.954 134 1HB LYS 16 HB2 LYS 16 -1.846 8.053 10.155 135 2HB LYS 16 HB1 LYS 16 -3.251 7.065 9.774 136 1HG LYS 16 HG2 LYS 16 -1.276 5.376 10.914 137 2HG LYS 16 HG1 LYS 16 -1.434 6.808 11.933 138 1HD LYS 16 HD2 LYS 16 -3.865 5.354 10.959 139 2HD LYS 16 HD1 LYS 16 -2.976 4.770 12.367 140 1HE LYS 16 HE2 LYS 16 -3.242 7.479 12.840 141 2HE LYS 16 HE1 LYS 16 -4.782 7.034 12.107 142 1HZ LYS 16 HZ1 LYS 16 -5.267 5.572 13.806 143 2HZ LYS 16 HZ2 LYS 16 -4.499 6.828 14.640 144 3HZ LYS 16 HZ3 LYS 16 -3.653 5.406 14.288 145 H ALA 17 HN ALA 17 -0.968 4.106 9.166 146 HA ALA 17 HA ALA 17 -2.764 3.011 7.156 147 1HB ALA 17 HB1 ALA 17 -1.762 0.832 8.391 148 2HB ALA 17 HB2 ALA 17 -0.498 2.008 8.754 149 3HB ALA 17 HB3 ALA 17 -0.942 1.679 7.079 150 H ILE 18 HN ILE 18 -4.502 1.609 7.612 151 HA ILE 18 HA ILE 18 -5.626 1.992 10.294 152 HB ILE 18 HB ILE 18 -7.099 1.032 7.845 153 1HG1 ILE 18 HG12 ILE 18 -7.216 3.830 8.943 154 2HG1 ILE 18 HG11 ILE 18 -6.024 3.382 7.727 155 1HG2 ILE 18 HG21 ILE 18 -8.012 0.573 10.160 156 2HG2 ILE 18 HG22 ILE 18 -9.076 1.448 9.058 157 3HG2 ILE 18 HG23 ILE 18 -8.208 2.318 10.323 158 1HD1 ILE 18 HD11 ILE 18 -7.685 4.173 6.393 159 2HD1 ILE 18 HD12 ILE 18 -8.965 3.661 7.493 160 3HD1 ILE 18 HD13 ILE 18 -8.152 2.474 6.473 161 H ASP 19 HN ASP 19 -6.178 -0.589 7.894 162 HA ASP 19 HA ASP 19 -5.641 -2.536 10.040 163 1HB ASP 19 HB2 ASP 19 -8.045 -2.151 8.865 164 2HB ASP 19 HB1 ASP 19 -7.368 -3.368 7.787 165 H GLY 20 HN GLY 20 -3.714 -1.479 8.098 166 1HA GLY 20 HA2 GLY 20 -1.850 -2.581 7.186 167 2HA GLY 20 HA1 GLY 20 -2.796 -4.059 7.096 168 H ASP 21 HN ASP 21 -4.999 -3.196 5.652 169 HA ASP 21 HA ASP 21 -3.768 -2.799 3.028 170 1HB ASP 21 HB2 ASP 21 -6.427 -3.887 3.929 171 2HB ASP 21 HB1 ASP 21 -6.151 -3.423 2.252 172 H THR 22 HN THR 22 -6.838 -1.775 4.541 173 HA THR 22 HA THR 22 -7.114 0.498 2.871 174 HB THR 22 HB THR 22 -8.403 0.360 5.571 175 HG1 THR 22 HG1 THR 22 -9.905 -1.123 4.727 176 1HG2 THR 22 HG21 THR 22 -10.263 1.324 4.554 177 2HG2 THR 22 HG22 THR 22 -9.713 0.898 2.934 178 3HG2 THR 22 HG23 THR 22 -8.887 2.165 3.841 179 H VAL 23 HN VAL 23 -5.622 2.069 2.903 180 HA VAL 23 HA VAL 23 -4.945 3.253 5.511 181 HB VAL 23 HB VAL 23 -2.645 3.634 4.760 182 1HG1 VAL 23 HG11 VAL 23 -3.398 1.530 5.989 183 2HG1 VAL 23 HG12 VAL 23 -1.829 1.477 5.186 184 3HG1 VAL 23 HG13 VAL 23 -3.228 0.706 4.440 185 1HG2 VAL 23 HG21 VAL 23 -2.734 1.710 2.557 186 2HG2 VAL 23 HG22 VAL 23 -1.900 3.259 2.677 187 3HG2 VAL 23 HG23 VAL 23 -3.606 3.209 2.233 188 H LYS 24 HN LYS 24 -4.481 5.482 5.497 189 HA LYS 24 HA LYS 24 -5.844 6.938 3.416 190 1HB LYS 24 HB2 LYS 24 -6.163 7.678 5.685 191 2HB LYS 24 HB1 LYS 24 -4.429 7.831 5.930 192 1HG LYS 24 HG2 LYS 24 -5.435 10.008 5.632 193 2HG LYS 24 HG1 LYS 24 -4.362 9.642 4.277 194 1HD LYS 24 HD2 LYS 24 -6.252 10.515 3.237 195 2HD LYS 24 HD1 LYS 24 -6.506 8.774 3.122 196 1HE LYS 24 HE2 LYS 24 -8.566 9.486 3.860 197 2HE LYS 24 HE1 LYS 24 -7.767 9.095 5.382 198 1HZ LYS 24 HZ1 LYS 24 -8.999 11.391 4.956 199 2HZ LYS 24 HZ2 LYS 24 -7.458 11.822 4.409 200 3HZ LYS 24 HZ3 LYS 24 -7.665 11.253 5.988 201 H LEU 25 HN LEU 25 -4.943 8.380 1.969 202 HA LEU 25 HA LEU 25 -2.018 8.584 1.858 203 1HB LEU 25 HB2 LEU 25 -3.812 7.283 -0.097 204 2HB LEU 25 HB1 LEU 25 -2.603 8.351 -0.771 205 HG LEU 25 HG LEU 25 -1.505 6.446 1.163 206 1HD1 LEU 25 HD11 LEU 25 -1.714 4.487 -0.201 207 2HD1 LEU 25 HD12 LEU 25 -2.586 5.384 -1.445 208 3HD1 LEU 25 HD13 LEU 25 -3.336 5.098 0.128 209 1HD2 LEU 25 HD21 LEU 25 -0.818 6.899 -1.729 210 2HD2 LEU 25 HD22 LEU 25 0.220 6.275 -0.447 211 3HD2 LEU 25 HD23 LEU 25 -0.272 7.968 -0.436 212 H MET 26 HN MET 26 -1.542 10.726 1.752 213 HA MET 26 HA MET 26 -3.504 12.682 0.941 214 1HB MET 26 HB2 MET 26 -1.288 12.814 2.497 215 2HB MET 26 HB1 MET 26 -0.622 13.416 0.985 216 1HG MET 26 HG2 MET 26 -2.863 14.879 1.099 217 2HG MET 26 HG1 MET 26 -2.572 14.641 2.822 218 1HE MET 26 HE1 MET 26 -1.674 18.132 2.354 219 2HE MET 26 HE2 MET 26 -1.053 17.292 3.775 220 3HE MET 26 HE3 MET 26 -2.635 16.868 3.121 221 H TYR 27 HN TYR 27 -4.102 12.404 -1.156 222 HA TYR 27 HA TYR 27 -2.087 12.020 -3.216 223 1HB TYR 27 HB2 TYR 27 -4.065 10.586 -3.187 224 2HB TYR 27 HB1 TYR 27 -5.103 11.994 -3.341 225 HD1 TYR 27 HD1 TYR 27 -3.495 9.406 -5.082 226 HD2 TYR 27 HD2 TYR 27 -4.642 13.478 -5.457 227 HE1 TYR 27 HE1 TYR 27 -3.418 9.190 -7.529 228 HE2 TYR 27 HE2 TYR 27 -4.578 13.291 -7.894 229 HH TYR 27 HH TYR 27 -4.730 10.654 -9.547 230 H LYS 28 HN LYS 28 -1.138 13.784 -3.960 231 HA LYS 28 HA LYS 28 -0.771 15.944 -4.606 232 1HB LYS 28 HB2 LYS 28 -2.718 14.684 -6.270 233 2HB LYS 28 HB1 LYS 28 -3.113 16.393 -6.159 234 1HG LYS 28 HG2 LYS 28 -0.277 15.929 -6.587 235 2HG LYS 28 HG1 LYS 28 -1.285 15.248 -7.866 236 1HD LYS 28 HD2 LYS 28 -1.829 17.273 -8.662 237 2HD LYS 28 HD1 LYS 28 -2.099 17.932 -7.048 238 1HE LYS 28 HE2 LYS 28 -0.257 19.142 -7.470 239 2HE LYS 28 HE1 LYS 28 0.604 17.658 -7.067 240 1HZ LYS 28 HZ1 LYS 28 1.517 18.076 -9.081 241 2HZ LYS 28 HZ2 LYS 28 0.164 18.904 -9.669 242 3HZ LYS 28 HZ3 LYS 28 0.165 17.213 -9.620 243 H GLY 29 HN GLY 29 -1.733 16.079 -2.096 244 1HA GLY 29 HA2 GLY 29 -2.419 17.838 -0.731 245 2HA GLY 29 HA1 GLY 29 -3.108 18.629 -2.140 246 H GLN 30 HN GLN 30 -4.424 15.807 -2.591 247 HA GLN 30 HA GLN 30 -6.625 16.245 -0.694 248 1HB GLN 30 HB2 GLN 30 -7.980 16.599 -2.437 249 2HB GLN 30 HB1 GLN 30 -6.636 16.381 -3.540 250 1HG GLN 30 HG2 GLN 30 -8.013 13.948 -2.530 251 2HG GLN 30 HG1 GLN 30 -8.841 14.956 -3.710 252 1HE2 GLN 30 HE21 GLN 30 -7.892 12.275 -4.056 253 2HE2 GLN 30 HE22 GLN 30 -6.740 12.309 -5.340 254 HA PRO 31 HA PRO 31 -5.017 12.137 0.376 255 1HB PRO 31 HB2 PRO 31 -6.931 12.539 2.598 256 2HB PRO 31 HB1 PRO 31 -5.228 12.071 2.646 257 1HG PRO 31 HG2 PRO 31 -5.977 14.525 3.345 258 2HG PRO 31 HG1 PRO 31 -4.484 14.256 2.424 259 1HD PRO 31 HD2 PRO 31 -7.146 15.201 1.467 260 2HD PRO 31 HD1 PRO 31 -5.535 15.778 1.019 261 H MET 32 HN MET 32 -5.745 10.146 0.192 262 HA MET 32 HA MET 32 -8.602 9.557 -0.010 263 1HB MET 32 HB2 MET 32 -6.564 9.238 -2.204 264 2HB MET 32 HB1 MET 32 -7.942 8.153 -2.102 265 1HG MET 32 HG2 MET 32 -9.398 10.193 -2.131 266 2HG MET 32 HG1 MET 32 -7.958 11.122 -2.521 267 1HE MET 32 HE1 MET 32 -6.275 9.788 -4.093 268 2HE MET 32 HE2 MET 32 -6.755 9.716 -5.788 269 3HE MET 32 HE3 MET 32 -6.832 8.266 -4.788 270 H THR 33 HN THR 33 -9.037 7.450 0.699 271 HA THR 33 HA THR 33 -6.818 6.061 1.926 272 HB THR 33 HB THR 33 -9.239 4.501 1.942 273 HG1 THR 33 HG1 THR 33 -10.583 6.001 2.969 274 1HG2 THR 33 HG21 THR 33 -9.104 4.701 4.316 275 2HG2 THR 33 HG22 THR 33 -7.998 6.068 4.181 276 3HG2 THR 33 HG23 THR 33 -7.479 4.460 3.674 277 H PHE 34 HN PHE 34 -6.343 3.764 1.405 278 HA PHE 34 HA PHE 34 -7.108 2.999 -1.317 279 1HB PHE 34 HB2 PHE 34 -4.280 3.369 -0.346 280 2HB PHE 34 HB1 PHE 34 -4.687 2.430 -1.779 281 HD1 PHE 34 HD1 PHE 34 -4.644 3.493 -3.810 282 HD2 PHE 34 HD2 PHE 34 -5.360 5.771 -0.300 283 HE1 PHE 34 HE1 PHE 34 -4.662 5.555 -5.159 284 HE2 PHE 34 HE2 PHE 34 -5.379 7.839 -1.638 285 HZ PHE 34 HZ PHE 34 -5.043 7.735 -4.067 286 H ARG 35 HN ARG 35 -7.139 0.834 -1.734 287 HA ARG 35 HA ARG 35 -6.557 -0.948 0.539 288 1HB ARG 35 HB2 ARG 35 -8.942 -0.869 0.022 289 2HB ARG 35 HB1 ARG 35 -8.612 -1.247 -1.663 290 1HG ARG 35 HG2 ARG 35 -7.429 -3.260 -0.032 291 2HG ARG 35 HG1 ARG 35 -9.101 -3.024 0.478 292 1HD ARG 35 HD2 ARG 35 -8.827 -3.061 -2.413 293 2HD ARG 35 HD1 ARG 35 -8.224 -4.540 -1.669 294 HE ARG 35 HE ARG 35 -10.780 -3.764 -0.650 295 1HH1 ARG 35 HH11 ARG 35 -9.169 -5.384 -3.288 296 2HH1 ARG 35 HH12 ARG 35 -10.538 -6.366 -3.685 297 1HH2 ARG 35 HH21 ARG 35 -12.582 -5.056 -1.170 298 2HH2 ARG 35 HH22 ARG 35 -12.477 -6.181 -2.483 299 H LEU 36 HN LEU 36 -4.533 -1.646 0.085 300 HA LEU 36 HA LEU 36 -3.299 -1.996 -2.324 301 1HB LEU 36 HB2 LEU 36 -2.878 -3.962 -0.094 302 2HB LEU 36 HB1 LEU 36 -1.710 -3.364 -1.257 303 HG LEU 36 HG LEU 36 -2.886 -1.855 1.076 304 1HD1 LEU 36 HD11 LEU 36 -0.316 -1.658 1.481 305 2HD1 LEU 36 HD12 LEU 36 -0.245 -3.093 0.458 306 3HD1 LEU 36 HD13 LEU 36 -1.181 -3.120 1.952 307 1HD2 LEU 36 HD21 LEU 36 -2.611 -0.487 -1.034 308 2HD2 LEU 36 HD22 LEU 36 -0.881 -0.798 -0.901 309 3HD2 LEU 36 HD23 LEU 36 -1.721 0.077 0.379 310 H LEU 37 HN LEU 37 -2.550 -4.179 -3.238 311 HA LEU 37 HA LEU 37 -4.928 -5.873 -3.641 312 1HB LEU 37 HB2 LEU 37 -2.727 -5.769 -5.650 313 2HB LEU 37 HB1 LEU 37 -4.434 -6.090 -5.884 314 HG LEU 37 HG LEU 37 -4.796 -3.608 -5.324 315 1HD1 LEU 37 HD11 LEU 37 -2.945 -2.590 -4.582 316 2HD1 LEU 37 HD12 LEU 37 -2.509 -2.491 -6.287 317 3HD1 LEU 37 HD13 LEU 37 -1.875 -3.799 -5.289 318 1HD2 LEU 37 HD21 LEU 37 -4.961 -3.238 -7.535 319 2HD2 LEU 37 HD22 LEU 37 -4.524 -4.942 -7.667 320 3HD2 LEU 37 HD23 LEU 37 -3.286 -3.697 -7.842 321 H LEU 38 HN LEU 38 -1.440 -5.811 -3.201 322 HA LEU 38 HA LEU 38 -0.856 -8.508 -3.544 323 1HB LEU 38 HB2 LEU 38 0.624 -6.367 -2.976 324 2HB LEU 38 HB1 LEU 38 0.511 -7.028 -1.357 325 HG LEU 38 HG LEU 38 1.311 -9.242 -2.472 326 1HD1 LEU 38 HD11 LEU 38 1.670 -7.242 -4.610 327 2HD1 LEU 38 HD12 LEU 38 1.429 -8.986 -4.711 328 3HD1 LEU 38 HD13 LEU 38 3.023 -8.337 -4.327 329 1HD2 LEU 38 HD21 LEU 38 3.351 -8.806 -1.600 330 2HD2 LEU 38 HD22 LEU 38 2.529 -7.372 -0.985 331 3HD2 LEU 38 HD23 LEU 38 3.507 -7.268 -2.448 332 H VAL 39 HN VAL 39 -2.453 -9.827 -2.688 333 HA VAL 39 HA VAL 39 -2.751 -9.803 0.239 334 HB VAL 39 HB VAL 39 -4.518 -11.222 -1.755 335 1HG1 VAL 39 HG11 VAL 39 -4.701 -12.209 0.399 336 2HG1 VAL 39 HG12 VAL 39 -6.114 -11.175 0.185 337 3HG1 VAL 39 HG13 VAL 39 -4.768 -10.632 1.186 338 1HG2 VAL 39 HG21 VAL 39 -4.427 -8.413 -0.945 339 2HG2 VAL 39 HG22 VAL 39 -6.010 -9.164 -0.750 340 3HG2 VAL 39 HG23 VAL 39 -5.219 -9.171 -2.326 341 H ASP 40 HN ASP 40 -1.384 -11.171 1.188 342 HA ASP 40 HA ASP 40 -1.068 -13.850 0.008 343 1HB ASP 40 HB2 ASP 40 1.054 -12.426 1.621 344 2HB ASP 40 HB1 ASP 40 1.224 -13.921 0.708 345 H THR 41 HN THR 41 0.316 -15.063 2.066 346 HA THR 41 HA THR 41 -1.355 -14.681 4.438 347 HB THR 41 HB THR 41 -1.007 -17.251 2.908 348 HG1 THR 41 HG1 THR 41 -3.380 -17.181 3.539 349 1HG2 THR 41 HG21 THR 41 -0.540 -17.613 5.375 350 2HG2 THR 41 HG22 THR 41 -1.847 -18.555 4.661 351 3HG2 THR 41 HG23 THR 41 -2.217 -17.143 5.648 352 HA PRO 42 HA PRO 42 2.529 -15.123 6.538 353 1HB PRO 42 HB2 PRO 42 1.208 -16.424 8.811 354 2HB PRO 42 HB1 PRO 42 1.984 -14.841 8.722 355 1HG PRO 42 HG2 PRO 42 -0.681 -15.096 8.940 356 2HG PRO 42 HG1 PRO 42 0.062 -13.790 7.994 357 1HD PRO 42 HD2 PRO 42 -1.122 -16.380 7.044 358 2HD PRO 42 HD1 PRO 42 -1.328 -14.746 6.387 359 H GLU 43 HN GLU 43 3.990 -16.545 5.941 360 HA GLU 43 HA GLU 43 5.282 -18.433 6.076 361 1HB GLU 43 HB2 GLU 43 2.963 -19.911 7.306 362 2HB GLU 43 HB1 GLU 43 4.666 -20.344 7.351 363 1HG GLU 43 HG2 GLU 43 3.962 -17.724 8.503 364 2HG GLU 43 HG1 GLU 43 3.386 -19.145 9.372 365 H THR 44 HN THR 44 2.276 -18.216 4.517 366 HA THR 44 HA THR 44 2.917 -20.567 2.861 367 HB THR 44 HB THR 44 0.266 -19.290 2.569 368 HG1 THR 44 HG1 THR 44 0.869 -20.818 4.877 369 1HG2 THR 44 HG21 THR 44 1.316 -21.663 1.777 370 2HG2 THR 44 HG22 THR 44 -0.407 -21.317 1.929 371 3HG2 THR 44 HG23 THR 44 0.449 -22.126 3.242 372 H LYS 45 HN LYS 45 1.669 -20.123 0.567 373 HA LYS 45 HA LYS 45 3.305 -18.263 -0.777 374 1HB LYS 45 HB2 LYS 45 1.915 -18.757 -2.743 375 2HB LYS 45 HB1 LYS 45 2.349 -20.230 -1.888 376 1HG LYS 45 HG2 LYS 45 0.208 -20.627 -1.190 377 2HG LYS 45 HG1 LYS 45 -0.240 -18.920 -1.235 378 1HD LYS 45 HD2 LYS 45 -1.283 -19.432 -3.151 379 2HD LYS 45 HD1 LYS 45 0.332 -19.444 -3.862 380 1HE LYS 45 HE2 LYS 45 -0.529 -21.938 -2.539 381 2HE LYS 45 HE1 LYS 45 -1.387 -21.509 -4.018 382 1HZ LYS 45 HZ1 LYS 45 1.358 -22.366 -3.652 383 2HZ LYS 45 HZ2 LYS 45 1.141 -21.106 -4.760 384 3HZ LYS 45 HZ3 LYS 45 0.325 -22.572 -4.977 385 H HIS 46 HN HIS 46 0.673 -17.348 -2.359 386 HA HIS 46 HA HIS 46 0.101 -15.136 -0.500 387 1HB HIS 46 HB2 HIS 46 -0.272 -13.755 -2.603 388 2HB HIS 46 HB1 HIS 46 1.397 -14.191 -2.249 389 HD1 HIS 46 HD1 HIS 46 2.616 -15.642 -3.937 390 HD2 HIS 46 HD2 HIS 46 -1.411 -15.131 -4.826 391 HE1 HIS 46 HE1 HIS 46 2.320 -16.554 -6.262 392 HE2 HIS 46 HE2 HIS 46 -0.113 -16.182 -6.801 393 HA PRO 47 HA PRO 47 -3.967 -16.868 -1.641 394 1HB PRO 47 HB2 PRO 47 -4.511 -18.010 0.808 395 2HB PRO 47 HB1 PRO 47 -3.672 -18.823 -0.511 396 1HG PRO 47 HG2 PRO 47 -2.595 -18.073 2.021 397 2HG PRO 47 HG1 PRO 47 -1.740 -18.808 0.659 398 1HD PRO 47 HD2 PRO 47 -1.949 -15.929 1.423 399 2HD PRO 47 HD1 PRO 47 -0.606 -16.797 0.649 400 H LYS 48 HN LYS 48 -4.615 -16.567 1.774 401 HA LYS 48 HA LYS 48 -5.802 -13.918 1.318 402 1HB LYS 48 HB2 LYS 48 -7.224 -16.317 1.570 403 2HB LYS 48 HB1 LYS 48 -7.427 -15.489 3.108 404 1HG LYS 48 HG2 LYS 48 -8.134 -13.462 1.830 405 2HG LYS 48 HG1 LYS 48 -8.113 -14.452 0.369 406 1HD LYS 48 HD2 LYS 48 -9.609 -16.017 1.962 407 2HD LYS 48 HD1 LYS 48 -10.015 -14.436 2.631 408 1HE LYS 48 HE2 LYS 48 -11.100 -13.768 0.753 409 2HE LYS 48 HE1 LYS 48 -10.034 -14.677 -0.317 410 1HZ LYS 48 HZ1 LYS 48 -11.757 -16.254 1.413 411 2HZ LYS 48 HZ2 LYS 48 -11.330 -16.499 -0.205 412 3HZ LYS 48 HZ3 LYS 48 -12.539 -15.384 0.190 413 H LYS 49 HN LYS 49 -4.368 -12.752 2.589 414 HA LYS 49 HA LYS 49 -4.910 -12.395 5.239 415 1HB LYS 49 HB2 LYS 49 -3.393 -14.768 4.913 416 2HB LYS 49 HB1 LYS 49 -2.339 -13.569 5.648 417 1HG LYS 49 HG2 LYS 49 -3.249 -14.071 7.600 418 2HG LYS 49 HG1 LYS 49 -4.747 -13.337 7.024 419 1HD LYS 49 HD2 LYS 49 -5.707 -15.361 6.527 420 2HD LYS 49 HD1 LYS 49 -4.153 -16.153 6.255 421 1HE LYS 49 HE2 LYS 49 -5.386 -16.875 8.325 422 2HE LYS 49 HE1 LYS 49 -3.733 -16.319 8.584 423 1HZ LYS 49 HZ1 LYS 49 -5.210 -15.405 10.242 424 2HZ LYS 49 HZ2 LYS 49 -6.199 -14.730 9.048 425 3HZ LYS 49 HZ3 LYS 49 -4.620 -14.162 9.258 426 H GLY 50 HN GLY 50 -4.490 -10.617 3.392 427 1HA GLY 50 HA2 GLY 50 -2.049 -9.625 2.708 428 2HA GLY 50 HA1 GLY 50 -3.413 -8.594 3.112 429 H VAL 51 HN VAL 51 -3.481 -9.568 5.896 430 HA VAL 51 HA VAL 51 -1.304 -7.891 6.904 431 HB VAL 51 HB VAL 51 -3.676 -8.972 8.432 432 1HG1 VAL 51 HG11 VAL 51 -1.367 -7.940 9.418 433 2HG1 VAL 51 HG12 VAL 51 -2.929 -7.852 10.232 434 3HG1 VAL 51 HG13 VAL 51 -2.357 -6.488 9.273 435 1HG2 VAL 51 HG21 VAL 51 -4.977 -7.340 7.644 436 2HG2 VAL 51 HG22 VAL 51 -3.768 -7.122 6.379 437 3HG2 VAL 51 HG23 VAL 51 -3.710 -6.129 7.835 438 H GLU 52 HN GLU 52 0.295 -9.558 6.538 439 HA GLU 52 HA GLU 52 0.244 -12.106 7.653 440 1HB GLU 52 HB2 GLU 52 1.889 -11.397 5.983 441 2HB GLU 52 HB1 GLU 52 2.628 -10.318 7.156 442 1HG GLU 52 HG2 GLU 52 3.510 -12.079 8.400 443 2HG GLU 52 HG1 GLU 52 2.422 -13.258 7.669 444 H LYS 53 HN LYS 53 1.651 -12.901 9.471 445 HA LYS 53 HA LYS 53 1.005 -11.415 11.850 446 1HB LYS 53 HB2 LYS 53 0.821 -13.870 11.778 447 2HB LYS 53 HB1 LYS 53 2.557 -13.990 11.526 448 1HG LYS 53 HG2 LYS 53 2.491 -12.513 13.785 449 2HG LYS 53 HG1 LYS 53 1.030 -13.482 13.984 450 1HD LYS 53 HD2 LYS 53 2.792 -15.369 13.155 451 2HD LYS 53 HD1 LYS 53 3.860 -14.283 14.047 452 1HE LYS 53 HE2 LYS 53 1.763 -14.457 15.753 453 2HE LYS 53 HE1 LYS 53 1.721 -16.057 15.013 454 1HZ LYS 53 HZ1 LYS 53 4.316 -15.826 15.530 455 2HZ LYS 53 HZ2 LYS 53 3.212 -16.501 16.620 456 3HZ LYS 53 HZ3 LYS 53 3.694 -14.889 16.795 457 H TYR 54 HN TYR 54 2.233 -9.552 11.765 458 HA TYR 54 HA TYR 54 5.087 -9.915 12.383 459 1HB TYR 54 HB2 TYR 54 5.423 -7.723 11.069 460 2HB TYR 54 HB1 TYR 54 5.187 -9.202 10.137 461 HD1 TYR 54 HD1 TYR 54 3.412 -6.239 11.469 462 HD2 TYR 54 HD2 TYR 54 3.415 -9.379 8.615 463 HE1 TYR 54 HE1 TYR 54 1.468 -5.229 10.373 464 HE2 TYR 54 HE2 TYR 54 1.475 -8.381 7.491 465 HH TYR 54 HH TYR 54 -0.449 -6.062 8.876 466 H GLY 55 HN GLY 55 2.180 -7.930 12.571 467 1HA GLY 55 HA2 GLY 55 1.550 -6.970 14.675 468 2HA GLY 55 HA1 GLY 55 3.249 -6.752 15.040 469 HA PRO 56 HA PRO 56 2.766 -2.605 13.628 470 1HB PRO 56 HB2 PRO 56 5.529 -2.174 13.207 471 2HB PRO 56 HB1 PRO 56 4.614 -1.898 14.686 472 1HG PRO 56 HG2 PRO 56 6.605 -3.814 14.344 473 2HG PRO 56 HG1 PRO 56 5.399 -3.802 15.640 474 1HD PRO 56 HD2 PRO 56 5.435 -5.363 13.095 475 2HD PRO 56 HD1 PRO 56 4.861 -5.839 14.708 476 H GLU 57 HN GLU 57 4.644 -4.630 11.404 477 HA GLU 57 HA GLU 57 5.362 -2.929 9.444 478 1HB GLU 57 HB2 GLU 57 5.760 -5.339 9.339 479 2HB GLU 57 HB1 GLU 57 4.070 -5.598 8.936 480 1HG GLU 57 HG2 GLU 57 5.146 -5.710 6.888 481 2HG GLU 57 HG1 GLU 57 4.496 -4.076 6.932 482 H ALA 58 HN ALA 58 2.048 -3.677 10.195 483 HA ALA 58 HA ALA 58 1.125 -2.557 7.688 484 1HB ALA 58 HB1 ALA 58 -1.122 -3.019 9.206 485 2HB ALA 58 HB2 ALA 58 -0.003 -4.283 9.711 486 3HB ALA 58 HB3 ALA 58 -0.420 -4.104 8.008 487 H SER 59 HN SER 59 0.172 -1.913 11.075 488 HA SER 59 HA SER 59 -0.719 0.720 10.263 489 1HB SER 59 HB2 SER 59 -0.993 -0.933 12.740 490 2HB SER 59 HB1 SER 59 -1.280 0.805 12.823 491 HG SER 59 HG SER 59 -2.625 -1.116 11.238 492 H ALA 60 HN ALA 60 1.940 -0.665 12.059 493 HA ALA 60 HA ALA 60 2.762 1.932 13.051 494 1HB ALA 60 HB1 ALA 60 4.680 -0.199 13.447 495 2HB ALA 60 HB2 ALA 60 3.059 -0.648 13.980 496 3HB ALA 60 HB3 ALA 60 3.831 0.799 14.628 497 H PHE 61 HN PHE 61 3.877 -0.413 10.621 498 HA PHE 61 HA PHE 61 6.210 1.226 10.068 499 1HB PHE 61 HB2 PHE 61 6.096 -1.344 10.116 500 2HB PHE 61 HB1 PHE 61 5.402 -1.198 8.504 501 HD1 PHE 61 HD1 PHE 61 8.394 -1.012 10.510 502 HD2 PHE 61 HD2 PHE 61 6.725 -0.209 6.682 503 HE1 PHE 61 HE1 PHE 61 10.662 -0.845 9.563 504 HE2 PHE 61 HE2 PHE 61 8.988 -0.038 5.724 505 HZ PHE 61 HZ PHE 61 10.961 -0.356 7.166 506 H THR 62 HN THR 62 3.272 0.230 8.328 507 HA THR 62 HA THR 62 3.718 1.076 5.819 508 HB THR 62 HB THR 62 1.234 1.423 7.477 509 HG1 THR 62 HG1 THR 62 1.780 -0.698 7.053 510 1HG2 THR 62 HG21 THR 62 0.526 2.829 5.868 511 2HG2 THR 62 HG22 THR 62 0.250 1.321 4.995 512 3HG2 THR 62 HG23 THR 62 1.712 2.260 4.693 513 H LYS 63 HN LYS 63 2.173 3.364 8.116 514 HA LYS 63 HA LYS 63 2.795 5.571 6.423 515 1HB LYS 63 HB2 LYS 63 1.577 6.884 7.906 516 2HB LYS 63 HB1 LYS 63 0.825 5.303 8.041 517 1HG LYS 63 HG2 LYS 63 2.862 6.403 9.962 518 2HG LYS 63 HG1 LYS 63 1.118 6.435 10.208 519 1HD LYS 63 HD2 LYS 63 1.047 4.007 10.181 520 2HD LYS 63 HD1 LYS 63 2.779 3.942 9.848 521 1HE LYS 63 HE2 LYS 63 2.849 3.659 12.102 522 2HE LYS 63 HE1 LYS 63 2.870 5.421 12.049 523 1HZ LYS 63 HZ1 LYS 63 0.704 3.610 12.836 524 2HZ LYS 63 HZ2 LYS 63 0.290 5.088 12.124 525 3HZ LYS 63 HZ3 LYS 63 1.207 5.062 13.545 526 H LYS 64 HN LYS 64 4.518 3.968 8.923 527 HA LYS 64 HA LYS 64 6.054 6.058 9.962 528 1HB LYS 64 HB2 LYS 64 6.051 3.206 10.084 529 2HB LYS 64 HB1 LYS 64 7.696 3.743 9.780 530 1HG LYS 64 HG2 LYS 64 7.172 5.423 11.725 531 2HG LYS 64 HG1 LYS 64 5.954 4.216 12.142 532 1HD LYS 64 HD2 LYS 64 7.571 2.543 12.473 533 2HD LYS 64 HD1 LYS 64 8.817 3.465 11.630 534 1HE LYS 64 HE2 LYS 64 9.260 3.560 13.985 535 2HE LYS 64 HE1 LYS 64 8.721 5.151 13.451 536 1HZ LYS 64 HZ1 LYS 64 6.748 4.958 14.557 537 2HZ LYS 64 HZ2 LYS 64 7.741 4.060 15.591 538 3HZ LYS 64 HZ3 LYS 64 6.729 3.267 14.492 539 H MET 65 HN MET 65 6.872 3.816 7.311 540 HA MET 65 HA MET 65 9.300 5.004 6.611 541 1HB MET 65 HB2 MET 65 7.830 2.842 5.734 542 2HB MET 65 HB1 MET 65 7.817 3.911 4.339 543 1HG MET 65 HG2 MET 65 10.298 4.048 4.510 544 2HG MET 65 HG1 MET 65 10.224 2.823 5.775 545 1HE MET 65 HE1 MET 65 10.961 -0.134 3.754 546 2HE MET 65 HE2 MET 65 10.826 0.643 5.332 547 3HE MET 65 HE3 MET 65 11.975 1.256 4.143 548 H VAL 66 HN VAL 66 6.031 5.931 5.897 549 HA VAL 66 HA VAL 66 6.626 7.651 3.702 550 HB VAL 66 HB VAL 66 4.234 7.736 5.546 551 1HG1 VAL 66 HG11 VAL 66 3.992 8.501 2.715 552 2HG1 VAL 66 HG12 VAL 66 4.933 9.600 3.723 553 3HG1 VAL 66 HG13 VAL 66 3.267 9.218 4.153 554 1HG2 VAL 66 HG21 VAL 66 5.017 5.861 3.437 555 2HG2 VAL 66 HG22 VAL 66 3.393 6.522 3.254 556 3HG2 VAL 66 HG23 VAL 66 3.840 5.681 4.738 557 H GLU 67 HN GLU 67 6.555 8.021 7.177 558 HA GLU 67 HA GLU 67 6.761 10.909 7.035 559 1HB GLU 67 HB2 GLU 67 6.242 8.912 9.111 560 2HB GLU 67 HB1 GLU 67 7.287 10.220 9.650 561 1HG GLU 67 HG2 GLU 67 5.376 11.645 8.421 562 2HG GLU 67 HG1 GLU 67 4.432 10.245 8.928 563 H ASN 68 HN ASN 68 8.910 8.278 6.930 564 HA ASN 68 HA ASN 68 11.132 9.828 8.026 565 1HB ASN 68 HB2 ASN 68 10.947 6.952 7.113 566 2HB ASN 68 HB1 ASN 68 12.425 7.707 7.704 567 1HD2 ASN 68 HD21 ASN 68 11.229 5.455 8.857 568 2HD2 ASN 68 HD22 ASN 68 10.699 5.874 10.447 569 H ALA 69 HN ALA 69 9.853 8.687 4.992 570 HA ALA 69 HA ALA 69 12.236 9.707 3.600 571 1HB ALA 69 HB1 ALA 69 11.794 8.266 1.827 572 2HB ALA 69 HB2 ALA 69 10.108 8.051 2.294 573 3HB ALA 69 HB3 ALA 69 11.389 7.303 3.247 574 H LYS 70 HN LYS 70 12.018 11.159 1.886 575 HA LYS 70 HA LYS 70 9.546 12.724 1.961 576 1HB LYS 70 HB2 LYS 70 10.906 14.440 0.742 577 2HB LYS 70 HB1 LYS 70 11.511 14.036 2.343 578 1HG LYS 70 HG2 LYS 70 13.244 12.666 1.401 579 2HG LYS 70 HG1 LYS 70 12.588 12.889 -0.222 580 1HD LYS 70 HD2 LYS 70 12.940 15.399 0.201 581 2HD LYS 70 HD1 LYS 70 13.966 14.887 1.543 582 1HE LYS 70 HE2 LYS 70 14.917 13.323 -0.452 583 2HE LYS 70 HE1 LYS 70 14.431 14.753 -1.360 584 1HZ LYS 70 HZ1 LYS 70 16.575 14.423 0.569 585 2HZ LYS 70 HZ2 LYS 70 15.716 15.875 0.679 586 3HZ LYS 70 HZ3 LYS 70 16.472 15.449 -0.772 587 H LYS 71 HN LYS 71 9.916 10.142 0.492 588 HA LYS 71 HA LYS 71 8.842 11.074 -2.053 589 1HB LYS 71 HB2 LYS 71 10.240 9.327 -3.248 590 2HB LYS 71 HB1 LYS 71 11.095 10.766 -2.710 591 1HG LYS 71 HG2 LYS 71 11.476 9.193 -0.570 592 2HG LYS 71 HG1 LYS 71 11.350 7.967 -1.835 593 1HD LYS 71 HD2 LYS 71 13.658 8.563 -1.601 594 2HD LYS 71 HD1 LYS 71 13.071 9.221 -3.130 595 1HE LYS 71 HE2 LYS 71 12.569 11.303 -1.500 596 2HE LYS 71 HE1 LYS 71 13.964 10.605 -0.679 597 1HZ LYS 71 HZ1 LYS 71 15.103 11.843 -2.139 598 2HZ LYS 71 HZ2 LYS 71 13.813 11.971 -3.226 599 3HZ LYS 71 HZ3 LYS 71 14.782 10.585 -3.224 600 H ILE 72 HN ILE 72 6.843 10.264 -1.673 601 HA ILE 72 HA ILE 72 6.661 7.353 -1.262 602 HB ILE 72 HB ILE 72 4.601 9.364 -0.364 603 1HG1 ILE 72 HG12 ILE 72 5.720 8.134 1.883 604 2HG1 ILE 72 HG11 ILE 72 7.100 8.541 0.870 605 1HG2 ILE 72 HG21 ILE 72 3.864 7.349 1.009 606 2HG2 ILE 72 HG22 ILE 72 4.906 6.393 -0.046 607 3HG2 ILE 72 HG23 ILE 72 3.551 7.294 -0.726 608 1HD1 ILE 72 HD11 ILE 72 6.256 10.868 0.754 609 2HD1 ILE 72 HD12 ILE 72 6.689 10.342 2.381 610 3HD1 ILE 72 HD13 ILE 72 4.994 10.420 1.901 611 H GLU 73 HN GLU 73 6.492 6.805 -3.410 612 HA GLU 73 HA GLU 73 4.257 7.997 -4.905 613 1HB GLU 73 HB2 GLU 73 6.821 7.746 -5.710 614 2HB GLU 73 HB1 GLU 73 6.171 6.223 -6.299 615 1HG GLU 73 HG2 GLU 73 4.818 7.228 -7.833 616 2HG GLU 73 HG1 GLU 73 4.658 8.707 -6.887 617 H VAL 74 HN VAL 74 2.549 6.807 -5.484 618 HA VAL 74 HA VAL 74 2.557 3.979 -4.697 619 HB VAL 74 HB VAL 74 0.120 4.114 -4.672 620 1HG1 VAL 74 HG11 VAL 74 1.104 6.502 -3.148 621 2HG1 VAL 74 HG12 VAL 74 1.607 4.868 -2.720 622 3HG1 VAL 74 HG13 VAL 74 -0.101 5.303 -2.677 623 1HG2 VAL 74 HG21 VAL 74 -0.425 6.854 -4.777 624 2HG2 VAL 74 HG22 VAL 74 -0.900 5.625 -5.948 625 3HG2 VAL 74 HG23 VAL 74 0.598 6.527 -6.175 626 H GLU 75 HN GLU 75 2.488 2.434 -6.184 627 HA GLU 75 HA GLU 75 2.363 3.128 -8.980 628 1HB GLU 75 HB2 GLU 75 3.937 1.423 -8.220 629 2HB GLU 75 HB1 GLU 75 2.614 0.450 -7.595 630 1HG GLU 75 HG2 GLU 75 2.235 -0.476 -9.575 631 2HG GLU 75 HG1 GLU 75 2.251 1.085 -10.394 632 H PHE 76 HN PHE 76 0.009 3.917 -8.050 633 HA PHE 76 HA PHE 76 -1.919 1.773 -8.466 634 1HB PHE 76 HB2 PHE 76 -3.280 2.895 -7.079 635 2HB PHE 76 HB1 PHE 76 -1.838 3.779 -6.629 636 HD1 PHE 76 HD1 PHE 76 -5.077 4.270 -7.042 637 HD2 PHE 76 HD2 PHE 76 -1.442 5.684 -8.739 638 HE1 PHE 76 HE1 PHE 76 -6.195 6.361 -7.672 639 HE2 PHE 76 HE2 PHE 76 -2.557 7.782 -9.381 640 HZ PHE 76 HZ PHE 76 -4.937 8.125 -8.848 641 H ASP 77 HN ASP 77 -3.614 1.908 -9.957 642 HA ASP 77 HA ASP 77 -2.897 3.191 -12.431 643 1HB ASP 77 HB2 ASP 77 -3.958 0.865 -12.140 644 2HB ASP 77 HB1 ASP 77 -5.477 1.724 -11.891 645 H LYS 78 HN LYS 78 -4.423 4.508 -13.671 646 HA LYS 78 HA LYS 78 -5.793 6.413 -11.919 647 1HB LYS 78 HB2 LYS 78 -4.101 6.774 -14.087 648 2HB LYS 78 HB1 LYS 78 -5.694 7.091 -14.761 649 1HG LYS 78 HG2 LYS 78 -5.264 9.176 -14.037 650 2HG LYS 78 HG1 LYS 78 -5.870 8.534 -12.509 651 1HD LYS 78 HD2 LYS 78 -3.861 8.685 -11.525 652 2HD LYS 78 HD1 LYS 78 -3.023 8.033 -12.934 653 1HE LYS 78 HE2 LYS 78 -2.182 10.130 -13.033 654 2HE LYS 78 HE1 LYS 78 -3.688 10.443 -13.895 655 1HZ LYS 78 HZ1 LYS 78 -3.265 10.869 -10.986 656 2HZ LYS 78 HZ2 LYS 78 -4.676 11.223 -11.849 657 3HZ LYS 78 HZ3 LYS 78 -3.256 12.087 -12.161 658 H GLY 79 HN GLY 79 -6.900 3.805 -12.568 659 1HA GLY 79 HA2 GLY 79 -9.529 4.680 -13.390 660 2HA GLY 79 HA1 GLY 79 -8.765 3.515 -14.471 661 H GLN 80 HN GLN 80 -8.329 3.695 -11.016 662 HA GLN 80 HA GLN 80 -8.983 0.926 -10.719 663 1HB GLN 80 HB2 GLN 80 -7.423 1.243 -9.148 664 2HB GLN 80 HB1 GLN 80 -7.622 2.985 -9.198 665 1HG GLN 80 HG2 GLN 80 -8.081 2.443 -7.002 666 2HG GLN 80 HG1 GLN 80 -9.682 2.588 -7.713 667 1HE2 GLN 80 HE21 GLN 80 -10.764 1.236 -6.370 668 2HE2 GLN 80 HE22 GLN 80 -10.452 -0.459 -6.245 669 H ARG 81 HN ARG 81 -10.848 0.095 -10.279 670 HA ARG 81 HA ARG 81 -13.200 1.653 -9.997 671 1HB ARG 81 HB2 ARG 81 -13.127 -0.612 -11.027 672 2HB ARG 81 HB1 ARG 81 -12.847 -1.296 -9.431 673 1HG ARG 81 HG2 ARG 81 -15.005 -0.495 -8.677 674 2HG ARG 81 HG1 ARG 81 -15.284 0.280 -10.238 675 1HD ARG 81 HD2 ARG 81 -15.691 -1.699 -11.302 676 2HD ARG 81 HD1 ARG 81 -14.647 -2.620 -10.221 677 HE ARG 81 HE ARG 81 -16.958 -1.635 -8.877 678 1HH1 ARG 81 HH11 ARG 81 -15.839 -4.144 -11.027 679 2HH1 ARG 81 HH12 ARG 81 -17.063 -5.272 -10.551 680 1HH2 ARG 81 HH21 ARG 81 -18.570 -3.116 -8.248 681 2HH2 ARG 81 HH22 ARG 81 -18.615 -4.689 -8.974 682 H THR 82 HN THR 82 -12.916 2.974 -8.180 683 HA THR 82 HA THR 82 -12.692 1.656 -5.576 684 HB THR 82 HB THR 82 -12.628 4.588 -6.318 685 HG1 THR 82 HG1 THR 82 -10.511 2.949 -5.404 686 1HG2 THR 82 HG21 THR 82 -13.395 4.413 -4.057 687 2HG2 THR 82 HG22 THR 82 -11.708 4.924 -4.052 688 3HG2 THR 82 HG23 THR 82 -12.124 3.253 -3.671 689 H ASP 83 HN ASP 83 -14.126 2.383 -3.820 690 HA ASP 83 HA ASP 83 -16.874 2.322 -4.687 691 1HB ASP 83 HB2 ASP 83 -15.533 2.296 -1.988 692 2HB ASP 83 HB1 ASP 83 -17.282 2.420 -2.151 693 H LYS 84 HN LYS 84 -14.908 4.539 -2.707 694 HA LYS 84 HA LYS 84 -16.611 6.745 -3.628 695 1HB LYS 84 HB2 LYS 84 -17.106 5.866 -1.226 696 2HB LYS 84 HB1 LYS 84 -15.613 6.688 -0.799 697 1HG LYS 84 HG2 LYS 84 -16.702 8.604 -0.642 698 2HG LYS 84 HG1 LYS 84 -17.181 8.482 -2.335 699 1HD LYS 84 HD2 LYS 84 -19.234 7.571 -1.829 700 2HD LYS 84 HD1 LYS 84 -18.679 6.912 -0.289 701 1HE LYS 84 HE2 LYS 84 -19.316 9.781 -0.945 702 2HE LYS 84 HE1 LYS 84 -20.158 8.723 0.186 703 1HZ LYS 84 HZ1 LYS 84 -18.864 9.779 1.669 704 2HZ LYS 84 HZ2 LYS 84 -17.693 10.213 0.530 705 3HZ LYS 84 HZ3 LYS 84 -17.696 8.654 1.186 706 H TYR 85 HN TYR 85 -13.805 6.356 -1.451 707 HA TYR 85 HA TYR 85 -11.959 7.501 -3.287 708 1HB TYR 85 HB2 TYR 85 -13.302 9.284 -1.322 709 2HB TYR 85 HB1 TYR 85 -11.575 9.518 -1.592 710 HD1 TYR 85 HD1 TYR 85 -11.238 9.092 -4.429 711 HD2 TYR 85 HD2 TYR 85 -14.435 11.004 -2.375 712 HE1 TYR 85 HE1 TYR 85 -11.730 10.418 -6.441 713 HE2 TYR 85 HE2 TYR 85 -14.937 12.334 -4.381 714 HH TYR 85 HH TYR 85 -14.591 12.242 -6.786 715 H GLY 86 HN GLY 86 -12.321 5.316 -1.242 716 1HA GLY 86 HA2 GLY 86 -9.768 5.804 0.112 717 2HA GLY 86 HA1 GLY 86 -11.139 5.236 1.039 718 H ARG 87 HN ARG 87 -11.517 3.739 -1.834 719 HA ARG 87 HA ARG 87 -9.903 1.459 -0.909 720 1HB ARG 87 HB2 ARG 87 -12.658 1.609 -2.042 721 2HB ARG 87 HB1 ARG 87 -11.701 0.154 -2.306 722 1HG ARG 87 HG2 ARG 87 -13.282 0.369 -0.224 723 2HG ARG 87 HG1 ARG 87 -11.716 -0.431 -0.096 724 1HD ARG 87 HD2 ARG 87 -10.732 1.404 0.988 725 2HD ARG 87 HD1 ARG 87 -12.010 2.498 0.472 726 HE ARG 87 HE ARG 87 -13.184 1.941 2.327 727 1HH1 ARG 87 HH11 ARG 87 -10.878 -0.605 1.700 728 2HH1 ARG 87 HH12 ARG 87 -11.259 -1.477 3.146 729 1HH2 ARG 87 HH21 ARG 87 -13.685 0.792 4.231 730 2HH2 ARG 87 HH22 ARG 87 -12.852 -0.685 4.583 731 H TRP 88 HN TRP 88 -8.612 3.199 -2.374 732 HA TRP 88 HA TRP 88 -8.616 2.373 -5.163 733 1HB TRP 88 HB2 TRP 88 -7.157 4.473 -3.572 734 2HB TRP 88 HB1 TRP 88 -6.676 4.075 -5.213 735 HD1 TRP 88 HD1 TRP 88 -9.447 5.762 -3.213 736 HE1 TRP 88 HE1 TRP 88 -10.891 7.169 -4.804 737 HE3 TRP 88 HE3 TRP 88 -7.449 4.253 -7.680 738 HZ2 TRP 88 HZ2 TRP 88 -11.160 7.583 -7.583 739 HZ3 TRP 88 HZ3 TRP 88 -8.361 5.204 -9.752 740 HH2 TRP 88 HH2 TRP 88 -10.176 6.835 -9.706 741 H LEU 89 HN LEU 89 -6.928 1.211 -6.113 742 HA LEU 89 HA LEU 89 -5.370 -0.418 -4.324 743 1HB LEU 89 HB2 LEU 89 -4.869 -1.727 -6.150 744 2HB LEU 89 HB1 LEU 89 -6.407 -1.045 -6.626 745 HG LEU 89 HG LEU 89 -5.224 -0.858 -8.579 746 1HD1 LEU 89 HD11 LEU 89 -5.507 1.307 -8.908 747 2HD1 LEU 89 HD12 LEU 89 -3.982 1.639 -8.097 748 3HD1 LEU 89 HD13 LEU 89 -5.475 1.594 -7.173 749 1HD2 LEU 89 HD21 LEU 89 -2.846 -0.631 -6.818 750 2HD2 LEU 89 HD22 LEU 89 -2.747 0.004 -8.459 751 3HD2 LEU 89 HD23 LEU 89 -3.144 -1.693 -8.193 752 H ALA 90 HN ALA 90 -2.970 -0.595 -4.468 753 HA ALA 90 HA ALA 90 -1.317 1.211 -5.760 754 1HB ALA 90 HB1 ALA 90 -2.508 2.301 -3.260 755 2HB ALA 90 HB2 ALA 90 -2.124 3.114 -4.777 756 3HB ALA 90 HB3 ALA 90 -0.834 2.694 -3.651 757 H TYR 91 HN TYR 91 0.850 1.417 -4.808 758 HA TYR 91 HA TYR 91 1.486 -0.704 -2.873 759 1HB TYR 91 HB2 TYR 91 2.868 -0.138 -5.503 760 2HB TYR 91 HB1 TYR 91 3.571 -1.136 -4.235 761 HD1 TYR 91 HD1 TYR 91 0.425 -0.858 -6.238 762 HD2 TYR 91 HD2 TYR 91 3.239 -3.419 -4.333 763 HE1 TYR 91 HE1 TYR 91 -0.759 -2.817 -7.133 764 HE2 TYR 91 HE2 TYR 91 2.061 -5.385 -5.223 765 HH TYR 91 HH TYR 91 -0.098 -6.012 -6.068 766 H ILE 92 HN ILE 92 1.211 1.635 -1.833 767 HA ILE 92 HA ILE 92 2.960 3.687 -1.961 768 HB ILE 92 HB ILE 92 2.168 2.486 0.685 769 1HG1 ILE 92 HG12 ILE 92 0.288 4.405 0.138 770 2HG1 ILE 92 HG11 ILE 92 0.528 3.676 -1.447 771 1HG2 ILE 92 HG21 ILE 92 2.124 5.388 0.306 772 2HG2 ILE 92 HG22 ILE 92 3.723 4.660 0.148 773 3HG2 ILE 92 HG23 ILE 92 2.788 4.422 1.624 774 1HD1 ILE 92 HD11 ILE 92 0.252 1.444 -0.092 775 2HD1 ILE 92 HD12 ILE 92 -1.148 2.369 -0.633 776 3HD1 ILE 92 HD13 ILE 92 -0.594 2.502 1.036 777 H TYR 93 HN TYR 93 5.066 4.038 -1.731 778 HA TYR 93 HA TYR 93 6.641 2.304 0.002 779 1HB TYR 93 HB2 TYR 93 8.447 2.225 -1.805 780 2HB TYR 93 HB1 TYR 93 7.060 1.169 -2.012 781 HD1 TYR 93 HD1 TYR 93 8.163 4.609 -2.988 782 HD2 TYR 93 HD2 TYR 93 6.128 1.038 -4.087 783 HE1 TYR 93 HE1 TYR 93 7.824 5.508 -5.250 784 HE2 TYR 93 HE2 TYR 93 5.778 1.928 -6.354 785 HH TYR 93 HH TYR 93 7.372 4.747 -7.489 786 H ALA 94 HN ALA 94 8.437 3.253 0.889 787 HA ALA 94 HA ALA 94 8.725 6.136 0.358 788 1HB ALA 94 HB1 ALA 94 8.019 5.000 2.709 789 2HB ALA 94 HB2 ALA 94 8.845 6.551 2.568 790 3HB ALA 94 HB3 ALA 94 9.770 5.087 2.899 791 H ASP 95 HN ASP 95 10.583 6.781 -0.488 792 HA ASP 95 HA ASP 95 12.772 6.876 -1.097 793 1HB ASP 95 HB2 ASP 95 12.814 5.679 1.500 794 2HB ASP 95 HB1 ASP 95 14.022 4.881 0.499 795 H GLY 96 HN GLY 96 10.876 4.970 -2.269 796 1HA GLY 96 HA2 GLY 96 11.220 3.656 -4.193 797 2HA GLY 96 HA1 GLY 96 12.857 3.328 -3.651 798 H LYS 97 HN LYS 97 12.117 2.484 -0.985 799 HA LYS 97 HA LYS 97 11.314 -0.223 -1.650 800 1HB LYS 97 HB2 LYS 97 11.911 -0.717 0.710 801 2HB LYS 97 HB1 LYS 97 13.222 0.022 -0.199 802 1HG LYS 97 HG2 LYS 97 11.485 1.885 1.275 803 2HG LYS 97 HG1 LYS 97 12.468 0.801 2.260 804 1HD LYS 97 HD2 LYS 97 14.295 1.613 0.439 805 2HD LYS 97 HD1 LYS 97 13.271 3.048 0.532 806 1HE LYS 97 HE2 LYS 97 13.616 3.234 2.883 807 2HE LYS 97 HE1 LYS 97 14.404 1.658 2.951 808 1HZ LYS 97 HZ1 LYS 97 15.852 3.754 2.960 809 2HZ LYS 97 HZ2 LYS 97 15.527 3.832 1.302 810 3HZ LYS 97 HZ3 LYS 97 16.307 2.476 1.947 811 H MET 98 HN MET 98 9.392 -1.115 -1.257 812 HA MET 98 HA MET 98 7.250 0.528 -0.275 813 1HB MET 98 HB2 MET 98 7.184 -1.248 -2.165 814 2HB MET 98 HB1 MET 98 7.002 -2.405 -0.853 815 1HG MET 98 HG2 MET 98 5.080 -0.788 -0.110 816 2HG MET 98 HG1 MET 98 5.126 -0.302 -1.803 817 1HE MET 98 HE1 MET 98 2.829 -1.206 -0.308 818 2HE MET 98 HE2 MET 98 2.934 -2.846 0.333 819 3HE MET 98 HE3 MET 98 2.015 -2.532 -1.139 820 H VAL 99 HN VAL 99 5.902 0.107 1.488 821 HA VAL 99 HA VAL 99 7.115 -0.465 3.894 822 HB VAL 99 HB VAL 99 4.894 -0.628 4.873 823 1HG1 VAL 99 HG11 VAL 99 3.908 1.455 3.500 824 2HG1 VAL 99 HG12 VAL 99 5.568 1.468 2.905 825 3HG1 VAL 99 HG13 VAL 99 5.251 1.593 4.635 826 1HG2 VAL 99 HG21 VAL 99 2.895 -0.506 3.348 827 2HG2 VAL 99 HG22 VAL 99 3.744 -2.052 3.351 828 3HG2 VAL 99 HG23 VAL 99 3.977 -0.922 2.018 829 H ASN 100 HN ASN 100 5.215 -2.640 1.831 830 HA ASN 100 HA ASN 100 5.408 -4.886 3.561 831 1HB ASN 100 HB2 ASN 100 4.664 -4.507 0.676 832 2HB ASN 100 HB1 ASN 100 4.888 -6.130 1.322 833 1HD2 ASN 100 HD21 ASN 100 2.942 -6.962 1.572 834 2HD2 ASN 100 HD22 ASN 100 1.609 -6.201 2.364 835 H GLU 101 HN GLU 101 7.390 -3.568 1.008 836 HA GLU 101 HA GLU 101 9.100 -5.845 0.756 837 1HB GLU 101 HB2 GLU 101 8.706 -3.419 -0.628 838 2HB GLU 101 HB1 GLU 101 10.367 -3.379 -0.049 839 1HG GLU 101 HG2 GLU 101 9.578 -5.926 -1.252 840 2HG GLU 101 HG1 GLU 101 9.537 -4.551 -2.355 841 H ALA 102 HN ALA 102 8.723 -3.542 3.147 842 HA ALA 102 HA ALA 102 11.270 -2.837 3.938 843 1HB ALA 102 HB1 ALA 102 10.295 -2.591 6.210 844 2HB ALA 102 HB2 ALA 102 8.826 -3.366 5.615 845 3HB ALA 102 HB3 ALA 102 9.349 -1.826 4.934 846 H LEU 103 HN LEU 103 9.520 -5.176 5.960 847 HA LEU 103 HA LEU 103 12.028 -6.711 6.134 848 1HB LEU 103 HB2 LEU 103 10.954 -7.460 8.375 849 2HB LEU 103 HB1 LEU 103 11.780 -5.926 8.261 850 HG LEU 103 HG LEU 103 8.809 -6.067 7.873 851 1HD1 LEU 103 HD11 LEU 103 8.809 -5.405 10.392 852 2HD1 LEU 103 HD12 LEU 103 10.334 -6.290 10.429 853 3HD1 LEU 103 HD13 LEU 103 8.853 -7.105 9.926 854 1HD2 LEU 103 HD21 LEU 103 10.142 -3.860 9.303 855 2HD2 LEU 103 HD22 LEU 103 8.864 -3.822 8.089 856 3HD2 LEU 103 HD23 LEU 103 10.545 -4.026 7.594 857 H VAL 104 HN VAL 104 9.010 -6.960 4.818 858 HA VAL 104 HA VAL 104 8.337 -9.614 5.613 859 HB VAL 104 HB VAL 104 7.440 -8.363 3.030 860 1HG1 VAL 104 HG11 VAL 104 6.531 -10.428 2.968 861 2HG1 VAL 104 HG12 VAL 104 5.334 -9.707 4.043 862 3HG1 VAL 104 HG13 VAL 104 6.665 -10.653 4.712 863 1HG2 VAL 104 HG21 VAL 104 7.168 -6.915 5.202 864 2HG2 VAL 104 HG22 VAL 104 5.867 -8.051 5.548 865 3HG2 VAL 104 HG23 VAL 104 5.828 -7.088 4.072 866 H ARG 105 HN ARG 105 10.910 -8.579 3.866 867 HA ARG 105 HA ARG 105 10.915 -10.610 1.832 868 1HB ARG 105 HB2 ARG 105 13.278 -8.964 2.695 869 2HB ARG 105 HB1 ARG 105 12.960 -9.672 1.117 870 1HG ARG 105 HG2 ARG 105 11.727 -7.250 2.375 871 2HG ARG 105 HG1 ARG 105 12.555 -7.397 0.824 872 1HD ARG 105 HD2 ARG 105 9.783 -8.264 1.579 873 2HD ARG 105 HD1 ARG 105 10.296 -7.219 0.256 874 HE ARG 105 HE ARG 105 11.386 -9.782 -0.121 875 1HH1 ARG 105 HH11 ARG 105 8.314 -8.128 -0.221 876 2HH1 ARG 105 HH12 ARG 105 7.629 -9.209 -1.387 877 1HH2 ARG 105 HH21 ARG 105 10.487 -11.204 -1.656 878 2HH2 ARG 105 HH22 ARG 105 8.862 -10.956 -2.202 879 H GLN 106 HN GLN 106 12.432 -10.133 4.997 880 HA GLN 106 HA GLN 106 13.750 -12.733 4.707 881 1HB GLN 106 HB2 GLN 106 15.309 -12.097 6.275 882 2HB GLN 106 HB1 GLN 106 14.945 -10.560 5.510 883 1HG GLN 106 HG2 GLN 106 13.897 -11.557 8.148 884 2HG GLN 106 HG1 GLN 106 15.085 -10.280 7.891 885 1HE2 GLN 106 HE21 GLN 106 12.159 -10.618 8.931 886 2HE2 GLN 106 HE22 GLN 106 11.364 -9.243 8.252 887 H GLY 107 HN GLY 107 11.003 -11.332 6.142 888 1HA GLY 107 HA2 GLY 107 9.478 -13.197 6.937 889 2HA GLY 107 HA1 GLY 107 10.794 -13.605 8.025 890 H LEU 108 HN LEU 108 9.836 -10.333 7.240 891 HA LEU 108 HA LEU 108 9.337 -8.582 8.618 892 1HB LEU 108 HB2 LEU 108 7.230 -10.631 9.240 893 2HB LEU 108 HB1 LEU 108 7.171 -9.002 9.893 894 HG LEU 108 HG LEU 108 7.478 -9.343 6.953 895 1HD1 LEU 108 HD11 LEU 108 5.645 -10.599 6.831 896 2HD1 LEU 108 HD12 LEU 108 4.780 -9.116 7.233 897 3HD1 LEU 108 HD13 LEU 108 5.191 -10.269 8.502 898 1HD2 LEU 108 HD21 LEU 108 6.887 -7.231 8.818 899 2HD2 LEU 108 HD22 LEU 108 5.630 -7.360 7.590 900 3HD2 LEU 108 HD23 LEU 108 7.313 -7.139 7.108 901 H ALA 109 HN ALA 109 10.927 -8.190 10.022 902 HA ALA 109 HA ALA 109 11.652 -9.751 12.230 903 1HB ALA 109 HB1 ALA 109 12.422 -7.260 11.047 904 2HB ALA 109 HB2 ALA 109 13.352 -8.328 12.100 905 3HB ALA 109 HB3 ALA 109 12.323 -7.078 12.799 906 H LYS 110 HN LYS 110 10.488 -10.171 13.987 907 HA LYS 110 HA LYS 110 8.496 -8.209 14.880 908 1HB LYS 110 HB2 LYS 110 8.793 -11.118 15.650 909 2HB LYS 110 HB1 LYS 110 7.479 -10.051 16.124 910 1HG LYS 110 HG2 LYS 110 6.551 -10.035 14.003 911 2HG LYS 110 HG1 LYS 110 8.057 -10.539 13.233 912 1HD LYS 110 HD2 LYS 110 7.496 -12.624 14.947 913 2HD LYS 110 HD1 LYS 110 5.902 -12.145 14.362 914 1HE LYS 110 HE2 LYS 110 6.461 -13.592 12.700 915 2HE LYS 110 HE1 LYS 110 7.188 -12.128 12.038 916 1HZ LYS 110 HZ1 LYS 110 8.459 -14.513 13.098 917 2HZ LYS 110 HZ2 LYS 110 9.193 -13.050 13.523 918 3HZ LYS 110 HZ3 LYS 110 8.986 -13.448 11.893 Start of MODEL 2 1 1H ALA 1 HT1 ALA 1 -14.236 -9.651 -22.576 2 2H ALA 1 HT2 ALA 1 -14.853 -8.049 -22.569 3 3H ALA 1 HT3 ALA 1 -14.348 -8.783 -21.101 4 HA ALA 1 HA ALA 1 -12.127 -8.779 -21.748 5 1HB ALA 1 HB1 ALA 1 -13.304 -8.395 -24.405 6 2HB ALA 1 HB2 ALA 1 -11.803 -9.190 -23.928 7 3HB ALA 1 HB3 ALA 1 -11.857 -7.434 -24.095 8 H THR 2 HN THR 2 -11.111 -7.158 -20.765 9 HA THR 2 HA THR 2 -12.256 -4.451 -20.991 10 HB THR 2 HB THR 2 -12.695 -5.388 -18.778 11 HG1 THR 2 HG1 THR 2 -12.347 -3.263 -18.603 12 1HG2 THR 2 HG21 THR 2 -9.885 -5.381 -17.936 13 2HG2 THR 2 HG22 THR 2 -10.376 -6.736 -18.953 14 3HG2 THR 2 HG23 THR 2 -11.224 -6.416 -17.440 15 H SER 3 HN SER 3 -10.884 -2.782 -21.364 16 HA SER 3 HA SER 3 -8.093 -3.495 -21.908 17 1HB SER 3 HB2 SER 3 -9.951 -2.048 -23.386 18 2HB SER 3 HB1 SER 3 -8.893 -0.810 -22.712 19 HG SER 3 HG SER 3 -7.327 -1.478 -23.954 20 H THR 4 HN THR 4 -6.649 -3.035 -20.396 21 HA THR 4 HA THR 4 -7.208 -0.883 -18.487 22 HB THR 4 HB THR 4 -4.875 -2.734 -18.216 23 HG1 THR 4 HG1 THR 4 -6.622 -4.100 -18.701 24 1HG2 THR 4 HG21 THR 4 -6.748 -2.057 -16.017 25 2HG2 THR 4 HG22 THR 4 -5.636 -0.815 -16.592 26 3HG2 THR 4 HG23 THR 4 -5.008 -2.344 -15.979 27 H LYS 5 HN LYS 5 -5.588 0.661 -17.945 28 HA LYS 5 HA LYS 5 -3.831 1.283 -20.211 29 1HB LYS 5 HB2 LYS 5 -5.513 2.852 -18.494 30 2HB LYS 5 HB1 LYS 5 -3.854 3.417 -18.347 31 1HG LYS 5 HG2 LYS 5 -3.766 3.588 -20.830 32 2HG LYS 5 HG1 LYS 5 -5.488 3.207 -20.863 33 1HD LYS 5 HD2 LYS 5 -6.072 5.202 -19.802 34 2HD LYS 5 HD1 LYS 5 -4.437 5.463 -19.193 35 1HE LYS 5 HE2 LYS 5 -3.638 6.118 -21.299 36 2HE LYS 5 HE1 LYS 5 -5.043 5.453 -22.132 37 1HZ LYS 5 HZ1 LYS 5 -6.404 7.188 -21.286 38 2HZ LYS 5 HZ2 LYS 5 -5.022 7.918 -21.933 39 3HZ LYS 5 HZ3 LYS 5 -5.183 7.749 -20.257 40 H LYS 6 HN LYS 6 -1.652 1.755 -19.935 41 HA LYS 6 HA LYS 6 -0.383 0.405 -17.738 42 1HB LYS 6 HB2 LYS 6 0.895 2.075 -19.911 43 2HB LYS 6 HB1 LYS 6 1.699 0.906 -18.871 44 1HG LYS 6 HG2 LYS 6 -0.448 0.235 -20.873 45 2HG LYS 6 HG1 LYS 6 1.286 0.060 -21.146 46 1HD LYS 6 HD2 LYS 6 0.009 -1.241 -18.775 47 2HD LYS 6 HD1 LYS 6 -0.122 -1.991 -20.367 48 1HE LYS 6 HE2 LYS 6 2.484 -1.181 -19.086 49 2HE LYS 6 HE1 LYS 6 1.799 -2.803 -18.989 50 1HZ LYS 6 HZ1 LYS 6 2.882 -1.391 -21.338 51 2HZ LYS 6 HZ2 LYS 6 1.761 -2.642 -21.542 52 3HZ LYS 6 HZ3 LYS 6 3.236 -2.946 -20.771 53 H LEU 7 HN LEU 7 -0.250 1.345 -15.813 54 HA LEU 7 HA LEU 7 -0.308 4.192 -15.478 55 1HB LEU 7 HB2 LEU 7 -0.094 1.842 -13.637 56 2HB LEU 7 HB1 LEU 7 0.231 3.455 -13.032 57 HG LEU 7 HG LEU 7 -2.083 2.686 -12.608 58 1HD1 LEU 7 HD11 LEU 7 -2.354 4.941 -14.521 59 2HD1 LEU 7 HD12 LEU 7 -1.271 5.141 -13.144 60 3HD1 LEU 7 HD13 LEU 7 -2.973 4.766 -12.879 61 1HD2 LEU 7 HD21 LEU 7 -3.651 2.398 -14.366 62 2HD2 LEU 7 HD22 LEU 7 -2.251 1.403 -14.766 63 3HD2 LEU 7 HD23 LEU 7 -2.494 2.950 -15.577 64 H HIS 8 HN HIS 8 1.314 5.435 -14.353 65 HA HIS 8 HA HIS 8 4.042 4.443 -14.862 66 1HB HIS 8 HB2 HIS 8 2.814 6.708 -15.908 67 2HB HIS 8 HB1 HIS 8 3.818 7.337 -14.605 68 HD1 HIS 8 HD1 HIS 8 6.230 5.418 -14.904 69 HD2 HIS 8 HD2 HIS 8 4.358 7.362 -18.064 70 HE1 HIS 8 HE1 HIS 8 7.943 5.516 -16.742 71 HE2 HIS 8 HE2 HIS 8 6.756 6.612 -18.675 72 H LYS 9 HN LYS 9 2.346 4.184 -12.434 73 HA LYS 9 HA LYS 9 2.616 4.227 -10.180 74 1HB LYS 9 HB2 LYS 9 5.346 4.680 -11.216 75 2HB LYS 9 HB1 LYS 9 5.082 5.156 -9.544 76 1HG LYS 9 HG2 LYS 9 5.794 2.974 -9.340 77 2HG LYS 9 HG1 LYS 9 4.039 2.805 -9.289 78 1HD LYS 9 HD2 LYS 9 5.400 2.653 -11.930 79 2HD LYS 9 HD1 LYS 9 5.529 1.271 -10.840 80 1HE LYS 9 HE2 LYS 9 3.495 0.605 -11.425 81 2HE LYS 9 HE1 LYS 9 2.818 2.137 -10.870 82 1HZ LYS 9 HZ1 LYS 9 2.239 2.301 -13.025 83 2HZ LYS 9 HZ2 LYS 9 3.450 1.251 -13.564 84 3HZ LYS 9 HZ3 LYS 9 3.823 2.865 -13.219 85 H GLU 10 HN GLU 10 1.387 5.684 -9.202 86 HA GLU 10 HA GLU 10 2.092 8.526 -9.425 87 1HB GLU 10 HB2 GLU 10 -0.499 7.225 -8.568 88 2HB GLU 10 HB1 GLU 10 -0.218 8.958 -8.648 89 1HG GLU 10 HG2 GLU 10 0.228 7.304 -11.082 90 2HG GLU 10 HG1 GLU 10 -1.420 7.697 -10.595 91 HA PRO 11 HA PRO 11 3.214 8.176 -5.111 92 1HB PRO 11 HB2 PRO 11 4.436 10.532 -4.870 93 2HB PRO 11 HB1 PRO 11 5.140 9.231 -5.836 94 1HG PRO 11 HG2 PRO 11 3.764 11.712 -6.718 95 2HG PRO 11 HG1 PRO 11 5.066 10.806 -7.506 96 1HD PRO 11 HD2 PRO 11 2.299 10.688 -8.106 97 2HD PRO 11 HD1 PRO 11 3.572 9.627 -8.738 98 H ALA 12 HN ALA 12 2.813 9.305 -3.089 99 HA ALA 12 HA ALA 12 1.068 11.560 -2.985 100 1HB ALA 12 HB1 ALA 12 -0.783 10.231 -1.816 101 2HB ALA 12 HB2 ALA 12 -0.075 8.816 -2.597 102 3HB ALA 12 HB3 ALA 12 -0.693 10.148 -3.576 103 H THR 13 HN THR 13 0.457 12.119 -0.753 104 HA THR 13 HA THR 13 2.553 11.278 1.099 105 HB THR 13 HB THR 13 1.962 13.225 2.406 106 HG1 THR 13 HG1 THR 13 -0.160 13.492 2.327 107 1HG2 THR 13 HG21 THR 13 3.303 13.579 0.306 108 2HG2 THR 13 HG22 THR 13 2.470 14.996 0.946 109 3HG2 THR 13 HG23 THR 13 1.810 14.138 -0.446 110 H LEU 14 HN LEU 14 2.069 9.531 2.244 111 HA LEU 14 HA LEU 14 -0.663 8.949 3.019 112 1HB LEU 14 HB2 LEU 14 0.701 7.159 2.115 113 2HB LEU 14 HB1 LEU 14 1.897 7.412 3.366 114 HG LEU 14 HG LEU 14 0.230 5.429 3.557 115 1HD1 LEU 14 HD11 LEU 14 1.381 5.394 5.454 116 2HD1 LEU 14 HD12 LEU 14 0.055 6.312 6.161 117 3HD1 LEU 14 HD13 LEU 14 1.467 7.153 5.528 118 1HD2 LEU 14 HD21 LEU 14 -1.454 7.670 4.658 119 2HD2 LEU 14 HD22 LEU 14 -1.812 5.950 4.775 120 3HD2 LEU 14 HD23 LEU 14 -1.798 6.743 3.199 121 H ILE 15 HN ILE 15 -1.494 9.613 4.854 122 HA ILE 15 HA ILE 15 0.119 10.798 6.890 123 HB ILE 15 HB ILE 15 -1.994 11.084 8.134 124 1HG1 ILE 15 HG12 ILE 15 -4.080 10.533 6.612 125 2HG1 ILE 15 HG11 ILE 15 -3.008 9.301 5.956 126 1HG2 ILE 15 HG21 ILE 15 -1.207 12.674 6.375 127 2HG2 ILE 15 HG22 ILE 15 -2.946 12.703 6.667 128 3HG2 ILE 15 HG23 ILE 15 -2.303 11.877 5.247 129 1HD1 ILE 15 HD11 ILE 15 -3.691 7.997 7.607 130 2HD1 ILE 15 HD12 ILE 15 -4.481 9.341 8.434 131 3HD1 ILE 15 HD13 ILE 15 -2.766 9.025 8.701 132 H LYS 16 HN LYS 16 -1.730 7.749 6.623 133 HA LYS 16 HA LYS 16 0.010 6.340 8.304 134 1HB LYS 16 HB2 LYS 16 -0.893 6.345 10.422 135 2HB LYS 16 HB1 LYS 16 -1.166 8.011 9.939 136 1HG LYS 16 HG2 LYS 16 -3.463 6.788 9.101 137 2HG LYS 16 HG1 LYS 16 -3.076 5.896 10.572 138 1HD LYS 16 HD2 LYS 16 -2.734 8.770 10.882 139 2HD LYS 16 HD1 LYS 16 -4.380 8.327 10.429 140 1HE LYS 16 HE2 LYS 16 -2.969 6.847 12.611 141 2HE LYS 16 HE1 LYS 16 -3.713 8.412 12.940 142 1HZ LYS 16 HZ1 LYS 16 -5.801 7.590 12.630 143 2HZ LYS 16 HZ2 LYS 16 -5.049 6.195 13.220 144 3HZ LYS 16 HZ3 LYS 16 -5.307 6.378 11.558 145 H ALA 17 HN ALA 17 -1.049 4.289 9.216 146 HA ALA 17 HA ALA 17 -2.851 3.235 7.145 147 1HB ALA 17 HB1 ALA 17 -1.130 1.773 7.029 148 2HB ALA 17 HB2 ALA 17 -1.965 1.018 8.387 149 3HB ALA 17 HB3 ALA 17 -0.601 2.096 8.680 150 H ILE 18 HN ILE 18 -4.892 3.479 7.841 151 HA ILE 18 HA ILE 18 -5.819 3.608 10.437 152 HB ILE 18 HB ILE 18 -7.329 2.544 8.048 153 1HG1 ILE 18 HG12 ILE 18 -6.326 4.778 7.680 154 2HG1 ILE 18 HG11 ILE 18 -8.084 4.835 7.726 155 1HG2 ILE 18 HG21 ILE 18 -8.368 3.778 10.596 156 2HG2 ILE 18 HG22 ILE 18 -8.407 2.059 10.208 157 3HG2 ILE 18 HG23 ILE 18 -9.334 3.203 9.238 158 1HD1 ILE 18 HD11 ILE 18 -6.228 6.313 9.258 159 2HD1 ILE 18 HD12 ILE 18 -7.119 5.261 10.358 160 3HD1 ILE 18 HD13 ILE 18 -7.990 6.375 9.303 161 H ASP 19 HN ASP 19 -6.621 0.793 8.404 162 HA ASP 19 HA ASP 19 -6.342 -0.880 10.809 163 1HB ASP 19 HB2 ASP 19 -8.632 -0.710 9.849 164 2HB ASP 19 HB1 ASP 19 -8.026 -1.420 8.356 165 H GLY 20 HN GLY 20 -4.039 -0.322 9.345 166 1HA GLY 20 HA2 GLY 20 -2.207 -1.630 8.763 167 2HA GLY 20 HA1 GLY 20 -3.271 -3.019 8.613 168 H ASP 21 HN ASP 21 -5.050 -2.331 6.721 169 HA ASP 21 HA ASP 21 -3.352 -2.081 4.354 170 1HB ASP 21 HB2 ASP 21 -6.132 -3.153 4.806 171 2HB ASP 21 HB1 ASP 21 -5.520 -2.830 3.187 172 H THR 22 HN THR 22 -6.102 -0.595 5.954 173 HA THR 22 HA THR 22 -6.703 1.234 3.856 174 HB THR 22 HB THR 22 -7.691 2.445 6.091 175 HG1 THR 22 HG1 THR 22 -7.894 -0.305 6.677 176 1HG2 THR 22 HG21 THR 22 -9.792 1.402 5.657 177 2HG2 THR 22 HG22 THR 22 -9.009 0.076 4.796 178 3HG2 THR 22 HG23 THR 22 -8.987 1.703 4.117 179 H VAL 23 HN VAL 23 -5.175 2.649 3.204 180 HA VAL 23 HA VAL 23 -3.770 4.196 5.286 181 HB VAL 23 HB VAL 23 -1.950 4.479 3.505 182 1HG1 VAL 23 HG11 VAL 23 -1.224 1.949 4.034 183 2HG1 VAL 23 HG12 VAL 23 -2.510 2.147 5.223 184 3HG1 VAL 23 HG13 VAL 23 -1.136 3.252 5.218 185 1HG2 VAL 23 HG21 VAL 23 -1.788 2.480 1.975 186 2HG2 VAL 23 HG22 VAL 23 -3.031 3.660 1.560 187 3HG2 VAL 23 HG23 VAL 23 -3.477 2.153 2.359 188 H LYS 24 HN LYS 24 -3.995 6.344 5.194 189 HA LYS 24 HA LYS 24 -5.514 7.474 2.983 190 1HB LYS 24 HB2 LYS 24 -6.417 8.200 4.992 191 2HB LYS 24 HB1 LYS 24 -4.846 8.366 5.759 192 1HG LYS 24 HG2 LYS 24 -4.412 10.409 4.673 193 2HG LYS 24 HG1 LYS 24 -5.731 10.167 3.526 194 1HD LYS 24 HD2 LYS 24 -7.356 10.384 5.338 195 2HD LYS 24 HD1 LYS 24 -6.043 10.602 6.497 196 1HE LYS 24 HE2 LYS 24 -6.408 12.791 6.125 197 2HE LYS 24 HE1 LYS 24 -5.429 12.511 4.686 198 1HZ LYS 24 HZ1 LYS 24 -7.830 11.848 3.770 199 2HZ LYS 24 HZ2 LYS 24 -7.210 13.420 3.682 200 3HZ LYS 24 HZ3 LYS 24 -8.283 13.003 4.921 201 H LEU 25 HN LEU 25 -4.154 7.793 1.284 202 HA LEU 25 HA LEU 25 -1.800 9.476 1.755 203 1HB LEU 25 HB2 LEU 25 -0.855 8.612 -0.311 204 2HB LEU 25 HB1 LEU 25 -1.207 7.329 0.805 205 HG LEU 25 HG LEU 25 -3.256 6.837 -0.501 206 1HD1 LEU 25 HD11 LEU 25 -2.377 9.196 -1.942 207 2HD1 LEU 25 HD12 LEU 25 -3.930 8.369 -1.984 208 3HD1 LEU 25 HD13 LEU 25 -2.606 7.811 -3.009 209 1HD2 LEU 25 HD21 LEU 25 -0.464 6.465 -1.332 210 2HD2 LEU 25 HD22 LEU 25 -1.673 6.124 -2.571 211 3HD2 LEU 25 HD23 LEU 25 -1.729 5.273 -1.028 212 H MET 26 HN MET 26 -1.512 11.361 0.723 213 HA MET 26 HA MET 26 -3.813 12.625 -0.452 214 1HB MET 26 HB2 MET 26 -2.009 13.785 0.910 215 2HB MET 26 HB1 MET 26 -0.964 13.634 -0.496 216 1HG MET 26 HG2 MET 26 -2.436 15.001 -1.807 217 2HG MET 26 HG1 MET 26 -3.613 15.055 -0.497 218 1HE MET 26 HE1 MET 26 -3.523 16.087 1.472 219 2HE MET 26 HE2 MET 26 -3.504 17.758 0.910 220 3HE MET 26 HE3 MET 26 -2.334 17.219 2.114 221 H TYR 27 HN TYR 27 -4.404 11.725 -2.356 222 HA TYR 27 HA TYR 27 -2.423 11.065 -4.360 223 1HB TYR 27 HB2 TYR 27 -4.202 9.497 -4.002 224 2HB TYR 27 HB1 TYR 27 -5.420 10.743 -4.243 225 HD1 TYR 27 HD1 TYR 27 -6.228 11.226 -6.406 226 HD2 TYR 27 HD2 TYR 27 -2.784 8.777 -5.955 227 HE1 TYR 27 HE1 TYR 27 -6.333 10.661 -8.792 228 HE2 TYR 27 HE2 TYR 27 -2.874 8.191 -8.341 229 HH TYR 27 HH TYR 27 -3.943 9.506 -10.513 230 H LYS 28 HN LYS 28 -1.632 12.635 -5.561 231 HA LYS 28 HA LYS 28 -1.436 14.522 -6.819 232 1HB LYS 28 HB2 LYS 28 -3.126 12.819 -8.057 233 2HB LYS 28 HB1 LYS 28 -4.160 14.235 -7.929 234 1HG LYS 28 HG2 LYS 28 -3.206 14.734 -9.906 235 2HG LYS 28 HG1 LYS 28 -1.949 15.406 -8.868 236 1HD LYS 28 HD2 LYS 28 -1.584 12.562 -9.349 237 2HD LYS 28 HD1 LYS 28 -1.601 13.499 -10.843 238 1HE LYS 28 HE2 LYS 28 0.385 14.437 -10.408 239 2HE LYS 28 HE1 LYS 28 -0.024 14.733 -8.719 240 1HZ LYS 28 HZ1 LYS 28 1.859 13.145 -9.142 241 2HZ LYS 28 HZ2 LYS 28 0.714 12.049 -9.732 242 3HZ LYS 28 HZ3 LYS 28 0.634 12.570 -8.125 243 H GLY 29 HN GLY 29 -2.686 14.861 -4.170 244 1HA GLY 29 HA2 GLY 29 -3.115 17.029 -3.233 245 2HA GLY 29 HA1 GLY 29 -3.947 17.464 -4.718 246 H GLN 30 HN GLN 30 -5.150 14.576 -4.433 247 HA GLN 30 HA GLN 30 -7.258 15.369 -2.530 248 1HB GLN 30 HB2 GLN 30 -7.890 13.359 -4.620 249 2HB GLN 30 HB1 GLN 30 -8.906 14.609 -3.924 250 1HG GLN 30 HG2 GLN 30 -8.671 15.310 -6.099 251 2HG GLN 30 HG1 GLN 30 -7.422 16.239 -5.272 252 1HE2 GLN 30 HE21 GLN 30 -7.462 12.861 -6.343 253 2HE2 GLN 30 HE22 GLN 30 -6.084 12.995 -7.374 254 HA PRO 31 HA PRO 31 -5.330 11.719 -0.609 255 1HB PRO 31 HB2 PRO 31 -7.069 12.567 1.630 256 2HB PRO 31 HB1 PRO 31 -5.336 12.231 1.617 257 1HG PRO 31 HG2 PRO 31 -6.264 14.733 1.788 258 2HG PRO 31 HG1 PRO 31 -4.794 14.350 0.872 259 1HD PRO 31 HD2 PRO 31 -7.556 14.898 -0.124 260 2HD PRO 31 HD1 PRO 31 -6.000 15.406 -0.801 261 H MET 32 HN MET 32 -6.010 9.721 -0.336 262 HA MET 32 HA MET 32 -8.858 9.093 -0.105 263 1HB MET 32 HB2 MET 32 -7.085 7.888 -2.243 264 2HB MET 32 HB1 MET 32 -8.790 7.556 -1.980 265 1HG MET 32 HG2 MET 32 -9.321 9.868 -2.583 266 2HG MET 32 HG1 MET 32 -7.611 10.176 -2.868 267 1HE MET 32 HE1 MET 32 -9.020 11.175 -4.719 268 2HE MET 32 HE2 MET 32 -9.857 10.276 -5.985 269 3HE MET 32 HE3 MET 32 -8.130 10.604 -6.132 270 H THR 33 HN THR 33 -9.159 6.798 0.486 271 HA THR 33 HA THR 33 -6.828 5.813 1.967 272 HB THR 33 HB THR 33 -9.149 4.215 2.472 273 HG1 THR 33 HG1 THR 33 -10.493 5.867 3.321 274 1HG2 THR 33 HG21 THR 33 -8.030 6.292 4.313 275 2HG2 THR 33 HG22 THR 33 -7.212 4.760 4.005 276 3HG2 THR 33 HG23 THR 33 -8.825 4.771 4.717 277 H PHE 34 HN PHE 34 -6.321 3.482 1.793 278 HA PHE 34 HA PHE 34 -7.244 2.275 -0.718 279 1HB PHE 34 HB2 PHE 34 -4.338 2.531 0.080 280 2HB PHE 34 HB1 PHE 34 -4.943 1.727 -1.360 281 HD1 PHE 34 HD1 PHE 34 -5.221 5.043 0.320 282 HD2 PHE 34 HD2 PHE 34 -4.825 2.894 -3.326 283 HE1 PHE 34 HE1 PHE 34 -5.080 7.158 -0.910 284 HE2 PHE 34 HE2 PHE 34 -4.674 5.022 -4.561 285 HZ PHE 34 HZ PHE 34 -4.796 7.159 -3.326 286 H ARG 35 HN ARG 35 -6.800 -0.018 -0.905 287 HA ARG 35 HA ARG 35 -6.154 -1.330 1.623 288 1HB ARG 35 HB2 ARG 35 -8.506 -1.257 1.751 289 2HB ARG 35 HB1 ARG 35 -8.693 -1.648 0.045 290 1HG ARG 35 HG2 ARG 35 -8.407 -3.886 0.386 291 2HG ARG 35 HG1 ARG 35 -7.368 -3.652 1.793 292 1HD ARG 35 HD2 ARG 35 -10.090 -2.673 2.184 293 2HD ARG 35 HD1 ARG 35 -10.011 -4.402 1.848 294 HE ARG 35 HE ARG 35 -9.108 -3.049 4.220 295 1HH1 ARG 35 HH11 ARG 35 -8.768 -5.906 2.243 296 2HH1 ARG 35 HH12 ARG 35 -8.163 -6.883 3.538 297 1HH2 ARG 35 HH21 ARG 35 -8.310 -4.333 5.925 298 2HH2 ARG 35 HH22 ARG 35 -7.903 -5.990 5.628 299 H LEU 36 HN LEU 36 -4.297 -2.262 0.951 300 HA LEU 36 HA LEU 36 -4.249 -4.680 -0.314 301 1HB LEU 36 HB2 LEU 36 -4.616 -2.654 -2.252 302 2HB LEU 36 HB1 LEU 36 -2.963 -3.207 -2.424 303 HG LEU 36 HG LEU 36 -4.325 -5.579 -2.263 304 1HD1 LEU 36 HD11 LEU 36 -6.509 -4.826 -2.398 305 2HD1 LEU 36 HD12 LEU 36 -6.120 -5.176 -4.083 306 3HD1 LEU 36 HD13 LEU 36 -6.098 -3.511 -3.499 307 1HD2 LEU 36 HD21 LEU 36 -4.177 -5.330 -4.895 308 2HD2 LEU 36 HD22 LEU 36 -2.737 -5.508 -3.893 309 3HD2 LEU 36 HD23 LEU 36 -3.225 -3.911 -4.459 310 H LEU 37 HN LEU 37 -2.056 -2.075 -1.273 311 HA LEU 37 HA LEU 37 0.216 -1.922 -1.048 312 1HB LEU 37 HB2 LEU 37 -1.056 -1.099 1.156 313 2HB LEU 37 HB1 LEU 37 -0.059 -2.354 1.868 314 HG LEU 37 HG LEU 37 0.920 0.051 0.328 315 1HD1 LEU 37 HD11 LEU 37 0.267 0.731 2.493 316 2HD1 LEU 37 HD12 LEU 37 2.019 0.533 2.548 317 3HD1 LEU 37 HD13 LEU 37 0.969 -0.705 3.237 318 1HD2 LEU 37 HD21 LEU 37 3.174 -0.764 1.019 319 2HD2 LEU 37 HD22 LEU 37 2.369 -1.783 -0.174 320 3HD2 LEU 37 HD23 LEU 37 2.417 -2.276 1.518 321 H LEU 38 HN LEU 38 1.291 -3.573 -1.917 322 HA LEU 38 HA LEU 38 2.556 -5.446 -2.078 323 1HB LEU 38 HB2 LEU 38 3.322 -4.258 0.186 324 2HB LEU 38 HB1 LEU 38 2.733 -5.764 0.863 325 HG LEU 38 HG LEU 38 5.096 -5.960 0.495 326 1HD1 LEU 38 HD11 LEU 38 5.174 -7.895 -0.984 327 2HD1 LEU 38 HD12 LEU 38 3.590 -7.473 -1.634 328 3HD1 LEU 38 HD13 LEU 38 3.751 -7.950 0.057 329 1HD2 LEU 38 HD21 LEU 38 5.697 -5.926 -2.113 330 2HD2 LEU 38 HD22 LEU 38 5.843 -4.509 -1.071 331 3HD2 LEU 38 HD23 LEU 38 4.421 -4.709 -2.096 332 H VAL 39 HN VAL 39 1.805 -7.312 -2.694 333 HA VAL 39 HA VAL 39 -0.373 -8.605 -1.246 334 HB VAL 39 HB VAL 39 0.919 -9.419 -3.856 335 1HG1 VAL 39 HG11 VAL 39 -0.674 -11.027 -4.088 336 2HG1 VAL 39 HG12 VAL 39 -1.865 -10.142 -3.135 337 3HG1 VAL 39 HG13 VAL 39 -0.559 -11.010 -2.329 338 1HG2 VAL 39 HG21 VAL 39 -1.742 -8.075 -3.670 339 2HG2 VAL 39 HG22 VAL 39 -0.618 -8.160 -5.027 340 3HG2 VAL 39 HG23 VAL 39 -0.269 -7.106 -3.658 341 H ASP 40 HN ASP 40 0.182 -9.951 0.365 342 HA ASP 40 HA ASP 40 2.361 -11.859 -0.115 343 1HB ASP 40 HB2 ASP 40 3.252 -11.541 2.113 344 2HB ASP 40 HB1 ASP 40 3.208 -9.988 1.287 345 H THR 41 HN THR 41 2.281 -13.180 2.316 346 HA THR 41 HA THR 41 -0.489 -14.167 2.512 347 HB THR 41 HB THR 41 0.684 -15.757 1.152 348 HG1 THR 41 HG1 THR 41 0.189 -17.479 2.307 349 1HG2 THR 41 HG21 THR 41 2.850 -15.571 3.202 350 2HG2 THR 41 HG22 THR 41 2.957 -15.401 1.451 351 3HG2 THR 41 HG23 THR 41 2.672 -16.987 2.167 352 HA PRO 42 HA PRO 42 0.406 -13.400 6.839 353 1HB PRO 42 HB2 PRO 42 -2.095 -14.819 7.411 354 2HB PRO 42 HB1 PRO 42 -1.677 -13.129 7.702 355 1HG PRO 42 HG2 PRO 42 -3.451 -13.867 5.811 356 2HG PRO 42 HG1 PRO 42 -2.392 -12.457 5.627 357 1HD PRO 42 HD2 PRO 42 -2.119 -15.201 4.449 358 2HD PRO 42 HD1 PRO 42 -1.834 -13.620 3.693 359 H GLU 43 HN GLU 43 1.949 -14.653 7.690 360 HA GLU 43 HA GLU 43 2.932 -16.366 8.808 361 1HB GLU 43 HB2 GLU 43 0.075 -16.919 9.123 362 2HB GLU 43 HB1 GLU 43 1.082 -18.355 9.231 363 1HG GLU 43 HG2 GLU 43 2.405 -17.311 10.984 364 2HG GLU 43 HG1 GLU 43 1.428 -15.849 10.860 365 H THR 44 HN THR 44 0.709 -17.520 6.253 366 HA THR 44 HA THR 44 2.210 -19.899 5.788 367 HB THR 44 HB THR 44 0.557 -18.883 3.573 368 HG1 THR 44 HG1 THR 44 -0.960 -18.200 4.847 369 1HG2 THR 44 HG21 THR 44 1.264 -21.396 4.711 370 2HG2 THR 44 HG22 THR 44 0.438 -21.050 3.191 371 3HG2 THR 44 HG23 THR 44 -0.492 -21.240 4.678 372 H LYS 45 HN LYS 45 2.888 -20.314 3.381 373 HA LYS 45 HA LYS 45 4.451 -18.024 2.406 374 1HB LYS 45 HB2 LYS 45 6.377 -19.445 2.024 375 2HB LYS 45 HB1 LYS 45 5.914 -19.523 3.717 376 1HG LYS 45 HG2 LYS 45 4.529 -21.619 2.780 377 2HG LYS 45 HG1 LYS 45 5.878 -21.616 1.643 378 1HD LYS 45 HD2 LYS 45 7.438 -22.040 3.288 379 2HD LYS 45 HD1 LYS 45 6.430 -21.358 4.566 380 1HE LYS 45 HE2 LYS 45 6.418 -23.683 4.933 381 2HE LYS 45 HE1 LYS 45 4.867 -23.321 4.176 382 1HZ LYS 45 HZ1 LYS 45 6.288 -25.303 3.339 383 2HZ LYS 45 HZ2 LYS 45 7.143 -24.115 2.492 384 3HZ LYS 45 HZ3 LYS 45 5.485 -24.319 2.221 385 H HIS 46 HN HIS 46 1.957 -19.745 1.639 386 HA HIS 46 HA HIS 46 2.768 -20.586 -1.038 387 1HB HIS 46 HB2 HIS 46 0.515 -21.192 0.779 388 2HB HIS 46 HB1 HIS 46 0.108 -21.117 -0.933 389 HD1 HIS 46 HD1 HIS 46 -0.335 -23.680 -0.945 390 HD2 HIS 46 HD2 HIS 46 3.566 -22.615 0.010 391 HE1 HIS 46 HE1 HIS 46 1.001 -25.803 -1.115 392 HE2 HIS 46 HE2 HIS 46 3.340 -25.152 -0.440 393 HA PRO 47 HA PRO 47 1.087 -17.284 -3.413 394 1HB PRO 47 HB2 PRO 47 -1.098 -19.028 -4.438 395 2HB PRO 47 HB1 PRO 47 0.091 -18.072 -5.328 396 1HG PRO 47 HG2 PRO 47 0.333 -20.715 -5.165 397 2HG PRO 47 HG1 PRO 47 1.760 -19.666 -5.070 398 1HD PRO 47 HD2 PRO 47 0.312 -21.101 -2.885 399 2HD PRO 47 HD1 PRO 47 2.053 -20.824 -3.092 400 H LYS 48 HN LYS 48 0.344 -16.262 -1.409 401 HA LYS 48 HA LYS 48 -2.593 -16.146 -1.283 402 1HB LYS 48 HB2 LYS 48 -0.869 -16.977 0.758 403 2HB LYS 48 HB1 LYS 48 -1.336 -15.341 1.198 404 1HG LYS 48 HG2 LYS 48 -3.665 -15.930 1.120 405 2HG LYS 48 HG1 LYS 48 -3.274 -17.539 0.510 406 1HD LYS 48 HD2 LYS 48 -2.520 -18.278 2.548 407 2HD LYS 48 HD1 LYS 48 -2.060 -16.660 3.083 408 1HE LYS 48 HE2 LYS 48 -4.831 -17.831 2.918 409 2HE LYS 48 HE1 LYS 48 -3.954 -17.340 4.366 410 1HZ LYS 48 HZ1 LYS 48 -5.410 -15.723 2.443 411 2HZ LYS 48 HZ2 LYS 48 -3.961 -15.059 3.009 412 3HZ LYS 48 HZ3 LYS 48 -5.178 -15.487 4.103 413 H LYS 49 HN LYS 49 -3.348 -14.055 -0.239 414 HA LYS 49 HA LYS 49 -1.574 -11.806 -0.855 415 1HB LYS 49 HB2 LYS 49 -3.393 -10.641 -2.033 416 2HB LYS 49 HB1 LYS 49 -2.932 -12.129 -2.849 417 1HG LYS 49 HG2 LYS 49 -5.037 -12.801 -2.799 418 2HG LYS 49 HG1 LYS 49 -5.007 -12.766 -1.035 419 1HD LYS 49 HD2 LYS 49 -5.485 -10.282 -1.215 420 2HD LYS 49 HD1 LYS 49 -5.818 -10.569 -2.925 421 1HE LYS 49 HE2 LYS 49 -7.467 -12.335 -2.161 422 2HE LYS 49 HE1 LYS 49 -7.267 -11.681 -0.536 423 1HZ LYS 49 HZ1 LYS 49 -8.188 -10.142 -2.904 424 2HZ LYS 49 HZ2 LYS 49 -8.031 -9.541 -1.331 425 3HZ LYS 49 HZ3 LYS 49 -9.186 -10.729 -1.669 426 H GLY 50 HN GLY 50 -2.073 -12.698 1.675 427 1HA GLY 50 HA2 GLY 50 -3.912 -10.633 2.713 428 2HA GLY 50 HA1 GLY 50 -3.756 -12.219 3.452 429 H VAL 51 HN VAL 51 -3.120 -9.229 4.119 430 HA VAL 51 HA VAL 51 -0.347 -9.541 4.993 431 HB VAL 51 HB VAL 51 -0.966 -7.409 3.942 432 1HG1 VAL 51 HG11 VAL 51 -2.504 -6.375 6.193 433 2HG1 VAL 51 HG12 VAL 51 -3.331 -7.658 5.309 434 3HG1 VAL 51 HG13 VAL 51 -2.782 -6.213 4.459 435 1HG2 VAL 51 HG21 VAL 51 0.845 -7.220 5.420 436 2HG2 VAL 51 HG22 VAL 51 -0.188 -7.372 6.842 437 3HG2 VAL 51 HG23 VAL 51 -0.236 -5.901 5.870 438 H GLU 52 HN GLU 52 -0.112 -10.612 6.859 439 HA GLU 52 HA GLU 52 -2.093 -11.022 8.775 440 1HB GLU 52 HB2 GLU 52 0.485 -11.918 8.382 441 2HB GLU 52 HB1 GLU 52 0.620 -11.000 9.876 442 1HG GLU 52 HG2 GLU 52 -1.664 -12.853 9.691 443 2HG GLU 52 HG1 GLU 52 -0.062 -13.588 9.772 444 H LYS 53 HN LYS 53 -1.935 -10.316 11.104 445 HA LYS 53 HA LYS 53 -1.573 -7.402 11.160 446 1HB LYS 53 HB2 LYS 53 -3.050 -8.976 13.249 447 2HB LYS 53 HB1 LYS 53 -3.232 -7.282 12.813 448 1HG LYS 53 HG2 LYS 53 -5.103 -8.110 11.839 449 2HG LYS 53 HG1 LYS 53 -3.975 -8.338 10.502 450 1HD LYS 53 HD2 LYS 53 -4.061 -10.581 10.652 451 2HD LYS 53 HD1 LYS 53 -4.058 -10.560 12.417 452 1HE LYS 53 HE2 LYS 53 -6.511 -9.559 11.935 453 2HE LYS 53 HE1 LYS 53 -6.317 -10.590 10.518 454 1HZ LYS 53 HZ1 LYS 53 -6.395 -11.345 13.363 455 2HZ LYS 53 HZ2 LYS 53 -5.591 -12.337 12.254 456 3HZ LYS 53 HZ3 LYS 53 -7.239 -12.011 12.056 457 H TYR 54 HN TYR 54 0.548 -7.109 11.726 458 HA TYR 54 HA TYR 54 1.405 -8.364 14.247 459 1HB TYR 54 HB2 TYR 54 3.705 -7.324 13.063 460 2HB TYR 54 HB1 TYR 54 3.231 -9.014 13.129 461 HD1 TYR 54 HD1 TYR 54 4.533 -6.739 11.010 462 HD2 TYR 54 HD2 TYR 54 1.228 -9.415 11.170 463 HE1 TYR 54 HE1 TYR 54 4.472 -6.808 8.553 464 HE2 TYR 54 HE2 TYR 54 1.158 -9.481 8.711 465 HH TYR 54 HH TYR 54 3.666 -8.174 6.765 466 H GLY 55 HN GLY 55 1.167 -5.347 12.454 467 1HA GLY 55 HA2 GLY 55 0.649 -3.323 13.633 468 2HA GLY 55 HA1 GLY 55 1.557 -3.932 15.004 469 HA PRO 56 HA PRO 56 5.287 -1.809 14.092 470 1HB PRO 56 HB2 PRO 56 6.573 -4.388 13.304 471 2HB PRO 56 HB1 PRO 56 7.155 -3.127 14.399 472 1HG PRO 56 HG2 PRO 56 6.124 -5.365 15.375 473 2HG PRO 56 HG1 PRO 56 5.754 -3.802 16.128 474 1HD PRO 56 HD2 PRO 56 4.054 -5.514 14.381 475 2HD PRO 56 HD1 PRO 56 3.587 -4.476 15.743 476 H GLU 57 HN GLU 57 4.042 -3.929 11.621 477 HA GLU 57 HA GLU 57 5.751 -2.729 9.591 478 1HB GLU 57 HB2 GLU 57 5.447 -5.109 9.441 479 2HB GLU 57 HB1 GLU 57 3.698 -4.929 9.445 480 1HG GLU 57 HG2 GLU 57 4.580 -3.382 7.300 481 2HG GLU 57 HG1 GLU 57 5.549 -4.851 7.242 482 H ALA 58 HN ALA 58 2.281 -2.974 10.342 483 HA ALA 58 HA ALA 58 1.663 -1.164 8.161 484 1HB ALA 58 HB1 ALA 58 0.316 -3.266 9.323 485 2HB ALA 58 HB2 ALA 58 -0.347 -2.113 8.163 486 3HB ALA 58 HB3 ALA 58 -0.560 -1.845 9.894 487 H SER 59 HN SER 59 0.672 -1.208 11.591 488 HA SER 59 HA SER 59 -0.080 1.504 11.597 489 1HB SER 59 HB2 SER 59 -0.653 1.195 13.813 490 2HB SER 59 HB1 SER 59 -0.666 -0.470 13.235 491 HG SER 59 HG SER 59 0.533 -0.491 15.072 492 H ALA 60 HN ALA 60 2.945 -0.088 12.476 493 HA ALA 60 HA ALA 60 4.072 2.411 13.428 494 1HB ALA 60 HB1 ALA 60 5.739 1.191 14.386 495 2HB ALA 60 HB2 ALA 60 5.732 -0.029 13.113 496 3HB ALA 60 HB3 ALA 60 4.459 -0.022 14.334 497 H PHE 61 HN PHE 61 5.040 0.016 10.937 498 HA PHE 61 HA PHE 61 7.073 1.590 9.846 499 1HB PHE 61 HB2 PHE 61 6.012 -0.942 9.388 500 2HB PHE 61 HB1 PHE 61 5.838 -0.103 7.851 501 HD1 PHE 61 HD1 PHE 61 8.309 -0.936 10.492 502 HD2 PHE 61 HD2 PHE 61 7.656 0.133 6.425 503 HE1 PHE 61 HE1 PHE 61 10.684 -1.352 10.005 504 HE2 PHE 61 HE2 PHE 61 10.029 -0.282 5.930 505 HZ PHE 61 HZ PHE 61 11.548 -1.025 7.722 506 H THR 62 HN THR 62 3.999 0.894 8.166 507 HA THR 62 HA THR 62 4.156 2.625 6.116 508 HB THR 62 HB THR 62 1.656 2.202 7.753 509 HG1 THR 62 HG1 THR 62 2.600 0.720 5.532 510 1HG2 THR 62 HG21 THR 62 2.130 3.562 5.245 511 2HG2 THR 62 HG22 THR 62 0.688 3.520 6.260 512 3HG2 THR 62 HG23 THR 62 0.978 2.236 5.087 513 H LYS 63 HN LYS 63 2.397 3.632 9.064 514 HA LYS 63 HA LYS 63 2.199 6.313 8.391 515 1HB LYS 63 HB2 LYS 63 0.932 5.230 10.207 516 2HB LYS 63 HB1 LYS 63 2.402 5.144 11.169 517 1HG LYS 63 HG2 LYS 63 1.636 7.807 10.152 518 2HG LYS 63 HG1 LYS 63 0.614 7.108 11.409 519 1HD LYS 63 HD2 LYS 63 2.278 7.159 12.983 520 2HD LYS 63 HD1 LYS 63 3.565 7.024 11.782 521 1HE LYS 63 HE2 LYS 63 3.733 9.217 12.591 522 2HE LYS 63 HE1 LYS 63 2.892 9.372 11.049 523 1HZ LYS 63 HZ1 LYS 63 0.801 9.174 12.580 524 2HZ LYS 63 HZ2 LYS 63 1.587 10.659 12.385 525 3HZ LYS 63 HZ3 LYS 63 1.866 9.731 13.772 526 H LYS 64 HN LYS 64 4.932 4.583 9.659 527 HA LYS 64 HA LYS 64 6.306 7.011 10.465 528 1HB LYS 64 HB2 LYS 64 6.587 4.999 11.811 529 2HB LYS 64 HB1 LYS 64 7.222 4.132 10.419 530 1HG LYS 64 HG2 LYS 64 9.273 4.887 10.786 531 2HG LYS 64 HG1 LYS 64 8.712 6.555 10.896 532 1HD LYS 64 HD2 LYS 64 8.278 4.671 13.180 533 2HD LYS 64 HD1 LYS 64 9.852 5.436 12.953 534 1HE LYS 64 HE2 LYS 64 8.424 7.620 12.756 535 2HE LYS 64 HE1 LYS 64 7.214 6.669 13.615 536 1HZ LYS 64 HZ1 LYS 64 9.741 7.743 14.561 537 2HZ LYS 64 HZ2 LYS 64 9.363 6.187 15.103 538 3HZ LYS 64 HZ3 LYS 64 8.298 7.466 15.401 539 H MET 65 HN MET 65 7.180 4.328 8.284 540 HA MET 65 HA MET 65 9.321 5.501 7.029 541 1HB MET 65 HB2 MET 65 7.433 3.339 6.376 542 2HB MET 65 HB1 MET 65 8.269 4.033 4.994 543 1HG MET 65 HG2 MET 65 9.995 3.435 7.281 544 2HG MET 65 HG1 MET 65 9.223 2.028 6.551 545 1HE MET 65 HE1 MET 65 10.151 2.150 2.950 546 2HE MET 65 HE2 MET 65 9.070 1.609 4.234 547 3HE MET 65 HE3 MET 65 10.677 0.901 4.078 548 H VAL 66 HN VAL 66 5.957 6.223 6.581 549 HA VAL 66 HA VAL 66 6.280 7.490 4.026 550 HB VAL 66 HB VAL 66 3.989 8.349 4.403 551 1HG1 VAL 66 HG11 VAL 66 3.566 6.401 3.403 552 2HG1 VAL 66 HG12 VAL 66 3.200 5.766 5.005 553 3HG1 VAL 66 HG13 VAL 66 4.815 5.568 4.328 554 1HG2 VAL 66 HG21 VAL 66 3.091 6.923 6.602 555 2HG2 VAL 66 HG22 VAL 66 3.350 8.665 6.520 556 3HG2 VAL 66 HG23 VAL 66 4.621 7.613 7.140 557 H GLU 67 HN GLU 67 6.421 8.493 7.368 558 HA GLU 67 HA GLU 67 6.558 11.309 6.612 559 1HB GLU 67 HB2 GLU 67 5.236 10.435 8.618 560 2HB GLU 67 HB1 GLU 67 6.792 10.192 9.400 561 1HG GLU 67 HG2 GLU 67 6.039 12.267 10.161 562 2HG GLU 67 HG1 GLU 67 7.244 12.642 8.931 563 H ASN 68 HN ASN 68 8.666 8.713 7.078 564 HA ASN 68 HA ASN 68 10.886 10.421 7.922 565 1HB ASN 68 HB2 ASN 68 10.642 7.422 7.639 566 2HB ASN 68 HB1 ASN 68 12.139 8.245 8.067 567 1HD2 ASN 68 HD21 ASN 68 11.298 6.440 9.791 568 2HD2 ASN 68 HD22 ASN 68 10.612 7.166 11.199 569 H ALA 69 HN ALA 69 9.666 8.694 5.152 570 HA ALA 69 HA ALA 69 12.132 9.262 3.664 571 1HB ALA 69 HB1 ALA 69 11.494 7.617 2.111 572 2HB ALA 69 HB2 ALA 69 9.822 7.618 2.671 573 3HB ALA 69 HB3 ALA 69 11.093 6.939 3.689 574 H LYS 70 HN LYS 70 12.137 10.486 1.804 575 HA LYS 70 HA LYS 70 9.818 12.240 1.474 576 1HB LYS 70 HB2 LYS 70 11.324 13.730 0.278 577 2HB LYS 70 HB1 LYS 70 12.018 13.289 1.832 578 1HG LYS 70 HG2 LYS 70 13.327 11.513 0.579 579 2HG LYS 70 HG1 LYS 70 12.811 12.329 -0.899 580 1HD LYS 70 HD2 LYS 70 14.959 13.187 -0.333 581 2HD LYS 70 HD1 LYS 70 13.780 14.443 0.049 582 1HE LYS 70 HE2 LYS 70 13.917 13.042 2.395 583 2HE LYS 70 HE1 LYS 70 15.576 12.946 1.808 584 1HZ LYS 70 HZ1 LYS 70 14.068 15.249 2.739 585 2HZ LYS 70 HZ2 LYS 70 15.070 15.519 1.404 586 3HZ LYS 70 HZ3 LYS 70 15.726 14.923 2.844 587 H LYS 71 HN LYS 71 9.872 9.489 0.450 588 HA LYS 71 HA LYS 71 9.078 10.102 -2.271 589 1HB LYS 71 HB2 LYS 71 10.395 8.099 -3.123 590 2HB LYS 71 HB1 LYS 71 11.315 9.557 -2.769 591 1HG LYS 71 HG2 LYS 71 11.394 8.189 -0.385 592 2HG LYS 71 HG1 LYS 71 11.483 6.904 -1.592 593 1HD LYS 71 HD2 LYS 71 13.710 7.700 -0.965 594 2HD LYS 71 HD1 LYS 71 13.363 8.019 -2.665 595 1HE LYS 71 HE2 LYS 71 12.477 10.265 -1.199 596 2HE LYS 71 HE1 LYS 71 14.080 9.855 -0.593 597 1HZ LYS 71 HZ1 LYS 71 14.413 11.315 -2.382 598 2HZ LYS 71 HZ2 LYS 71 13.299 10.514 -3.371 599 3HZ LYS 71 HZ3 LYS 71 14.777 9.782 -3.000 600 H ILE 72 HN ILE 72 7.012 9.501 -1.910 601 HA ILE 72 HA ILE 72 6.557 6.706 -1.086 602 HB ILE 72 HB ILE 72 4.648 9.019 -0.713 603 1HG1 ILE 72 HG12 ILE 72 5.690 7.717 1.689 604 2HG1 ILE 72 HG11 ILE 72 6.943 8.520 0.749 605 1HG2 ILE 72 HG21 ILE 72 3.728 6.672 -1.016 606 2HG2 ILE 72 HG22 ILE 72 3.244 7.528 0.447 607 3HG2 ILE 72 HG23 ILE 72 4.494 6.286 0.525 608 1HD1 ILE 72 HD11 ILE 72 4.469 9.738 1.936 609 2HD1 ILE 72 HD12 ILE 72 5.504 10.572 0.777 610 3HD1 ILE 72 HD13 ILE 72 6.152 10.075 2.341 611 H GLU 73 HN GLU 73 6.501 5.806 -3.127 612 HA GLU 73 HA GLU 73 4.705 6.985 -5.106 613 1HB GLU 73 HB2 GLU 73 7.159 5.708 -5.321 614 2HB GLU 73 HB1 GLU 73 6.010 4.512 -5.903 615 1HG GLU 73 HG2 GLU 73 6.209 5.541 -7.863 616 2HG GLU 73 HG1 GLU 73 5.160 6.774 -7.165 617 H VAL 74 HN VAL 74 2.837 6.077 -5.781 618 HA VAL 74 HA VAL 74 2.016 3.589 -4.432 619 HB VAL 74 HB VAL 74 0.167 5.780 -5.370 620 1HG1 VAL 74 HG11 VAL 74 -1.548 4.516 -4.655 621 2HG1 VAL 74 HG12 VAL 74 -0.651 3.899 -3.269 622 3HG1 VAL 74 HG13 VAL 74 -0.412 3.185 -4.862 623 1HG2 VAL 74 HG21 VAL 74 0.679 5.291 -2.484 624 2HG2 VAL 74 HG22 VAL 74 0.195 6.771 -3.313 625 3HG2 VAL 74 HG23 VAL 74 1.868 6.221 -3.395 626 H GLU 75 HN GLU 75 2.309 2.035 -5.909 627 HA GLU 75 HA GLU 75 1.874 2.394 -8.706 628 1HB GLU 75 HB2 GLU 75 3.421 0.700 -7.561 629 2HB GLU 75 HB1 GLU 75 1.972 -0.245 -7.249 630 1HG GLU 75 HG2 GLU 75 1.989 0.472 -9.996 631 2HG GLU 75 HG1 GLU 75 3.570 -0.183 -9.578 632 H PHE 76 HN PHE 76 -0.369 3.372 -8.064 633 HA PHE 76 HA PHE 76 -2.359 1.222 -7.954 634 1HB PHE 76 HB2 PHE 76 -3.498 2.470 -6.495 635 2HB PHE 76 HB1 PHE 76 -2.108 3.536 -6.438 636 HD1 PHE 76 HD1 PHE 76 -5.341 3.790 -6.268 637 HD2 PHE 76 HD2 PHE 76 -2.298 4.955 -9.004 638 HE1 PHE 76 HE1 PHE 76 -6.754 5.643 -7.042 639 HE2 PHE 76 HE2 PHE 76 -3.712 6.808 -9.792 640 HZ PHE 76 HZ PHE 76 -5.944 7.154 -8.810 641 H ASP 77 HN ASP 77 -4.447 1.711 -9.111 642 HA ASP 77 HA ASP 77 -3.813 2.639 -11.820 643 1HB ASP 77 HB2 ASP 77 -4.660 0.249 -11.322 644 2HB ASP 77 HB1 ASP 77 -6.232 1.008 -11.078 645 H LYS 78 HN LYS 78 -5.567 3.682 -13.043 646 HA LYS 78 HA LYS 78 -7.001 5.582 -11.328 647 1HB LYS 78 HB2 LYS 78 -6.145 5.680 -14.218 648 2HB LYS 78 HB1 LYS 78 -7.288 6.833 -13.542 649 1HG LYS 78 HG2 LYS 78 -5.698 7.843 -12.221 650 2HG LYS 78 HG1 LYS 78 -4.658 6.418 -12.199 651 1HD LYS 78 HD2 LYS 78 -4.462 6.884 -14.764 652 2HD LYS 78 HD1 LYS 78 -4.971 8.511 -14.308 653 1HE LYS 78 HE2 LYS 78 -3.070 8.152 -12.477 654 2HE LYS 78 HE1 LYS 78 -2.449 7.066 -13.718 655 1HZ LYS 78 HZ1 LYS 78 -1.862 9.626 -13.669 656 2HZ LYS 78 HZ2 LYS 78 -3.288 9.727 -14.573 657 3HZ LYS 78 HZ3 LYS 78 -2.007 8.769 -15.121 658 H GLY 79 HN GLY 79 -7.927 2.883 -11.724 659 1HA GLY 79 HA2 GLY 79 -10.647 3.458 -12.455 660 2HA GLY 79 HA1 GLY 79 -9.840 2.370 -13.581 661 H GLN 80 HN GLN 80 -9.150 2.547 -10.179 662 HA GLN 80 HA GLN 80 -9.593 -0.261 -9.897 663 1HB GLN 80 HB2 GLN 80 -8.250 1.824 -8.432 664 2HB GLN 80 HB1 GLN 80 -9.229 0.854 -7.345 665 1HG GLN 80 HG2 GLN 80 -6.929 0.042 -9.061 666 2HG GLN 80 HG1 GLN 80 -7.152 -0.164 -7.325 667 1HE2 GLN 80 HE21 GLN 80 -6.521 -2.080 -9.515 668 2HE2 GLN 80 HE22 GLN 80 -7.701 -3.333 -9.365 669 H ARG 81 HN ARG 81 -11.265 -1.247 -9.193 670 HA ARG 81 HA ARG 81 -13.754 0.020 -8.813 671 1HB ARG 81 HB2 ARG 81 -12.724 -2.756 -8.577 672 2HB ARG 81 HB1 ARG 81 -14.235 -2.398 -7.754 673 1HG ARG 81 HG2 ARG 81 -15.129 -1.529 -9.907 674 2HG ARG 81 HG1 ARG 81 -13.648 -2.088 -10.688 675 1HD ARG 81 HD2 ARG 81 -15.048 -3.875 -11.054 676 2HD ARG 81 HD1 ARG 81 -14.255 -4.361 -9.555 677 HE ARG 81 HE ARG 81 -16.268 -4.192 -8.478 678 1HH1 ARG 81 HH11 ARG 81 -16.499 -2.569 -11.558 679 2HH1 ARG 81 HH12 ARG 81 -18.208 -2.318 -11.439 680 1HH2 ARG 81 HH21 ARG 81 -18.516 -3.865 -8.320 681 2HH2 ARG 81 HH22 ARG 81 -19.354 -3.055 -9.601 682 H THR 82 HN THR 82 -13.158 1.598 -7.176 683 HA THR 82 HA THR 82 -12.795 0.558 -4.471 684 HB THR 82 HB THR 82 -12.835 3.418 -5.458 685 HG1 THR 82 HG1 THR 82 -10.993 2.735 -6.255 686 1HG2 THR 82 HG21 THR 82 -11.314 2.887 -3.064 687 2HG2 THR 82 HG22 THR 82 -13.027 2.523 -2.853 688 3HG2 THR 82 HG23 THR 82 -12.526 4.127 -3.385 689 H ASP 83 HN ASP 83 -14.275 0.805 -2.834 690 HA ASP 83 HA ASP 83 -16.994 0.845 -3.471 691 1HB ASP 83 HB2 ASP 83 -15.766 1.491 -0.782 692 2HB ASP 83 HB1 ASP 83 -17.405 0.916 -1.079 693 H LYS 84 HN LYS 84 -14.989 3.381 -1.991 694 HA LYS 84 HA LYS 84 -16.834 5.384 -3.068 695 1HB LYS 84 HB2 LYS 84 -17.211 4.811 -0.556 696 2HB LYS 84 HB1 LYS 84 -15.730 5.721 -0.297 697 1HG LYS 84 HG2 LYS 84 -17.169 7.432 -0.059 698 2HG LYS 84 HG1 LYS 84 -17.064 7.475 -1.820 699 1HD LYS 84 HD2 LYS 84 -19.089 6.210 -2.034 700 2HD LYS 84 HD1 LYS 84 -19.146 5.917 -0.294 701 1HE LYS 84 HE2 LYS 84 -19.003 8.747 -0.945 702 2HE LYS 84 HE1 LYS 84 -20.412 7.961 -1.657 703 1HZ LYS 84 HZ1 LYS 84 -19.770 8.442 1.140 704 2HZ LYS 84 HZ2 LYS 84 -20.524 6.969 0.789 705 3HZ LYS 84 HZ3 LYS 84 -21.272 8.424 0.360 706 H TYR 85 HN TYR 85 -13.934 5.317 -0.997 707 HA TYR 85 HA TYR 85 -12.171 6.250 -3.004 708 1HB TYR 85 HB2 TYR 85 -13.559 8.281 -1.344 709 2HB TYR 85 HB1 TYR 85 -11.829 8.511 -1.598 710 HD1 TYR 85 HD1 TYR 85 -11.117 8.142 -4.175 711 HD2 TYR 85 HD2 TYR 85 -14.972 9.333 -2.827 712 HE1 TYR 85 HE1 TYR 85 -11.570 9.145 -6.374 713 HE2 TYR 85 HE2 TYR 85 -15.437 10.338 -5.021 714 HH TYR 85 HH TYR 85 -13.603 11.307 -7.026 715 H GLY 86 HN GLY 86 -12.444 4.387 -0.665 716 1HA GLY 86 HA2 GLY 86 -9.911 5.151 0.592 717 2HA GLY 86 HA1 GLY 86 -11.249 4.613 1.582 718 H ARG 87 HN ARG 87 -11.554 2.794 -1.093 719 HA ARG 87 HA ARG 87 -9.790 0.724 0.030 720 1HB ARG 87 HB2 ARG 87 -12.572 0.584 -1.040 721 2HB ARG 87 HB1 ARG 87 -11.532 -0.830 -1.163 722 1HG ARG 87 HG2 ARG 87 -13.089 -0.482 0.917 723 2HG ARG 87 HG1 ARG 87 -11.471 -1.162 1.100 724 1HD ARG 87 HD2 ARG 87 -10.596 0.834 1.962 725 2HD ARG 87 HD1 ARG 87 -11.934 1.789 1.332 726 HE ARG 87 HE ARG 87 -13.131 1.331 3.211 727 1HH1 ARG 87 HH11 ARG 87 -10.458 -0.905 3.012 728 2HH1 ARG 87 HH12 ARG 87 -10.723 -1.560 4.593 729 1HH2 ARG 87 HH21 ARG 87 -13.480 0.470 5.295 730 2HH2 ARG 87 HH22 ARG 87 -12.438 -0.779 5.889 731 H TRP 88 HN TRP 88 -8.820 2.516 -1.752 732 HA TRP 88 HA TRP 88 -8.808 1.427 -4.421 733 1HB TRP 88 HB2 TRP 88 -7.359 3.658 -3.008 734 2HB TRP 88 HB1 TRP 88 -6.836 3.123 -4.599 735 HD1 TRP 88 HD1 TRP 88 -9.700 4.964 -2.847 736 HE1 TRP 88 HE1 TRP 88 -11.085 6.196 -4.635 737 HE3 TRP 88 HE3 TRP 88 -7.498 3.045 -7.029 738 HZ2 TRP 88 HZ2 TRP 88 -11.222 6.328 -7.460 739 HZ3 TRP 88 HZ3 TRP 88 -8.300 3.762 -9.230 740 HH2 TRP 88 HH2 TRP 88 -10.128 5.376 -9.446 741 H LEU 89 HN LEU 89 -7.061 0.297 -5.381 742 HA LEU 89 HA LEU 89 -5.475 -1.231 -3.508 743 1HB LEU 89 HB2 LEU 89 -5.062 -2.645 -5.244 744 2HB LEU 89 HB1 LEU 89 -6.466 -1.846 -5.917 745 HG LEU 89 HG LEU 89 -4.967 -1.917 -7.697 746 1HD1 LEU 89 HD11 LEU 89 -5.177 0.217 -8.245 747 2HD1 LEU 89 HD12 LEU 89 -3.878 0.669 -7.145 748 3HD1 LEU 89 HD13 LEU 89 -5.537 0.596 -6.563 749 1HD2 LEU 89 HD21 LEU 89 -2.734 -2.052 -7.551 750 2HD2 LEU 89 HD22 LEU 89 -3.043 -2.337 -5.838 751 3HD2 LEU 89 HD23 LEU 89 -2.623 -0.719 -6.403 752 H ALA 90 HN ALA 90 -3.021 -1.376 -3.822 753 HA ALA 90 HA ALA 90 -1.532 0.571 -5.124 754 1HB ALA 90 HB1 ALA 90 -2.563 1.442 -2.468 755 2HB ALA 90 HB2 ALA 90 -2.355 2.364 -3.958 756 3HB ALA 90 HB3 ALA 90 -0.950 1.945 -2.976 757 H TYR 91 HN TYR 91 0.660 0.955 -4.066 758 HA TYR 91 HA TYR 91 1.534 -1.266 -2.378 759 1HB TYR 91 HB2 TYR 91 2.565 -0.650 -5.145 760 2HB TYR 91 HB1 TYR 91 3.546 -1.508 -3.962 761 HD1 TYR 91 HD1 TYR 91 0.186 -1.653 -5.578 762 HD2 TYR 91 HD2 TYR 91 3.421 -3.820 -3.864 763 HE1 TYR 91 HE1 TYR 91 -0.888 -3.765 -6.236 764 HE2 TYR 91 HE2 TYR 91 2.357 -5.938 -4.518 765 HH TYR 91 HH TYR 91 -0.860 -6.136 -5.556 766 H ILE 92 HN ILE 92 1.159 1.379 -1.674 767 HA ILE 92 HA ILE 92 3.092 3.252 -1.897 768 HB ILE 92 HB ILE 92 1.938 2.500 0.781 769 1HG1 ILE 92 HG12 ILE 92 0.321 4.480 -0.225 770 2HG1 ILE 92 HG11 ILE 92 0.636 3.500 -1.654 771 1HG2 ILE 92 HG21 ILE 92 3.009 4.311 1.481 772 2HG2 ILE 92 HG22 ILE 92 2.023 5.283 0.389 773 3HG2 ILE 92 HG23 ILE 92 3.578 4.651 -0.153 774 1HD1 ILE 92 HD11 ILE 92 -0.634 1.811 -0.923 775 2HD1 ILE 92 HD12 ILE 92 -1.342 3.038 0.127 776 3HD1 ILE 92 HD13 ILE 92 -0.076 1.974 0.742 777 H TYR 93 HN TYR 93 5.195 3.457 -1.492 778 HA TYR 93 HA TYR 93 6.423 1.843 0.601 779 1HB TYR 93 HB2 TYR 93 8.351 1.353 -1.009 780 2HB TYR 93 HB1 TYR 93 6.887 0.397 -1.179 781 HD1 TYR 93 HD1 TYR 93 6.156 0.011 -3.317 782 HD2 TYR 93 HD2 TYR 93 8.331 3.582 -2.508 783 HE1 TYR 93 HE1 TYR 93 6.071 0.600 -5.704 784 HE2 TYR 93 HE2 TYR 93 8.252 4.176 -4.890 785 HH TYR 93 HH TYR 93 6.196 2.781 -7.070 786 H ALA 94 HN ALA 94 8.468 2.595 1.305 787 HA ALA 94 HA ALA 94 8.969 5.415 0.617 788 1HB ALA 94 HB1 ALA 94 8.369 5.524 2.834 789 2HB ALA 94 HB2 ALA 94 10.116 5.328 2.973 790 3HB ALA 94 HB3 ALA 94 9.051 3.942 3.207 791 H ASP 95 HN ASP 95 10.969 6.011 -0.005 792 HA ASP 95 HA ASP 95 13.108 5.847 -0.754 793 1HB ASP 95 HB2 ASP 95 13.061 4.453 1.801 794 2HB ASP 95 HB1 ASP 95 14.311 3.825 0.733 795 H GLY 96 HN GLY 96 10.958 4.015 -1.784 796 1HA GLY 96 HA2 GLY 96 11.045 2.644 -3.679 797 2HA GLY 96 HA1 GLY 96 12.747 2.350 -3.363 798 H LYS 97 HN LYS 97 11.640 1.789 -0.447 799 HA LYS 97 HA LYS 97 11.097 -1.044 -1.020 800 1HB LYS 97 HB2 LYS 97 11.831 -1.401 1.370 801 2HB LYS 97 HB1 LYS 97 13.083 -0.857 0.262 802 1HG LYS 97 HG2 LYS 97 12.731 1.458 1.103 803 2HG LYS 97 HG1 LYS 97 11.620 0.798 2.305 804 1HD LYS 97 HD2 LYS 97 13.921 -0.772 2.501 805 2HD LYS 97 HD1 LYS 97 14.508 0.881 2.314 806 1HE LYS 97 HE2 LYS 97 14.244 0.847 4.573 807 2HE LYS 97 HE1 LYS 97 12.622 1.360 4.111 808 1HZ LYS 97 HZ1 LYS 97 13.334 -0.880 5.587 809 2HZ LYS 97 HZ2 LYS 97 12.766 -1.458 4.102 810 3HZ LYS 97 HZ3 LYS 97 11.790 -0.450 5.046 811 H MET 98 HN MET 98 9.192 -1.884 -0.529 812 HA MET 98 HA MET 98 7.093 -0.258 0.502 813 1HB MET 98 HB2 MET 98 6.976 -3.250 0.201 814 2HB MET 98 HB1 MET 98 5.659 -2.093 0.084 815 1HG MET 98 HG2 MET 98 5.918 -2.322 -2.116 816 2HG MET 98 HG1 MET 98 7.299 -1.248 -1.914 817 1HE MET 98 HE1 MET 98 8.986 -2.686 -4.267 818 2HE MET 98 HE2 MET 98 7.252 -2.370 -4.234 819 3HE MET 98 HE3 MET 98 7.845 -3.991 -4.595 820 H VAL 99 HN VAL 99 5.883 -0.526 2.397 821 HA VAL 99 HA VAL 99 7.355 -0.913 4.739 822 HB VAL 99 HB VAL 99 5.106 -0.981 5.886 823 1HG1 VAL 99 HG11 VAL 99 5.672 1.178 5.952 824 2HG1 VAL 99 HG12 VAL 99 4.562 1.392 4.598 825 3HG1 VAL 99 HG13 VAL 99 6.284 1.157 4.298 826 1HG2 VAL 99 HG21 VAL 99 3.382 -1.657 4.642 827 2HG2 VAL 99 HG22 VAL 99 4.265 -1.403 3.137 828 3HG2 VAL 99 HG23 VAL 99 3.418 -0.058 3.899 829 H ASN 100 HN ASN 100 5.257 -3.107 2.949 830 HA ASN 100 HA ASN 100 5.347 -5.180 4.928 831 1HB ASN 100 HB2 ASN 100 4.391 -5.029 2.080 832 2HB ASN 100 HB1 ASN 100 4.470 -6.572 2.925 833 1HD2 ASN 100 HD21 ASN 100 3.289 -3.263 3.424 834 2HD2 ASN 100 HD22 ASN 100 1.811 -3.725 4.190 835 H GLU 101 HN GLU 101 6.877 -4.681 1.763 836 HA GLU 101 HA GLU 101 8.513 -7.016 1.949 837 1HB GLU 101 HB2 GLU 101 8.159 -4.772 0.049 838 2HB GLU 101 HB1 GLU 101 9.744 -5.538 0.051 839 1HG GLU 101 HG2 GLU 101 7.705 -7.547 0.057 840 2HG GLU 101 HG1 GLU 101 7.412 -6.397 -1.246 841 H ALA 102 HN ALA 102 8.670 -4.037 3.455 842 HA ALA 102 HA ALA 102 11.363 -3.360 3.383 843 1HB ALA 102 HB1 ALA 102 10.157 -1.687 4.313 844 2HB ALA 102 HB2 ALA 102 10.724 -2.454 5.796 845 3HB ALA 102 HB3 ALA 102 9.100 -2.787 5.197 846 H LEU 103 HN LEU 103 9.684 -5.556 5.668 847 HA LEU 103 HA LEU 103 12.368 -6.440 6.485 848 1HB LEU 103 HB2 LEU 103 11.209 -7.044 8.714 849 2HB LEU 103 HB1 LEU 103 11.730 -5.404 8.414 850 HG LEU 103 HG LEU 103 8.899 -6.383 8.082 851 1HD1 LEU 103 HD11 LEU 103 8.426 -5.239 10.168 852 2HD1 LEU 103 HD12 LEU 103 10.124 -4.792 10.329 853 3HD1 LEU 103 HD13 LEU 103 9.648 -6.487 10.417 854 1HD2 LEU 103 HD21 LEU 103 8.940 -3.631 8.484 855 2HD2 LEU 103 HD22 LEU 103 8.625 -4.471 6.966 856 3HD2 LEU 103 HD23 LEU 103 10.259 -3.933 7.354 857 H VAL 104 HN VAL 104 10.026 -7.518 4.642 858 HA VAL 104 HA VAL 104 9.192 -9.974 5.681 859 HB VAL 104 HB VAL 104 9.112 -10.763 3.288 860 1HG1 VAL 104 HG11 VAL 104 7.056 -9.961 3.475 861 2HG1 VAL 104 HG12 VAL 104 7.629 -8.406 2.881 862 3HG1 VAL 104 HG13 VAL 104 7.601 -8.730 4.613 863 1HG2 VAL 104 HG21 VAL 104 9.348 -8.772 1.645 864 2HG2 VAL 104 HG22 VAL 104 10.792 -9.645 2.155 865 3HG2 VAL 104 HG23 VAL 104 10.399 -8.090 2.887 866 H ARG 105 HN ARG 105 12.310 -8.931 4.953 867 HA ARG 105 HA ARG 105 13.440 -11.483 4.289 868 1HB ARG 105 HB2 ARG 105 15.123 -9.232 5.256 869 2HB ARG 105 HB1 ARG 105 15.404 -10.346 3.929 870 1HG ARG 105 HG2 ARG 105 13.718 -7.869 3.978 871 2HG ARG 105 HG1 ARG 105 15.076 -8.261 2.924 872 1HD ARG 105 HD2 ARG 105 12.876 -10.166 2.712 873 2HD ARG 105 HD1 ARG 105 12.404 -8.518 2.305 874 HE ARG 105 HE ARG 105 13.734 -8.623 0.430 875 1HH1 ARG 105 HH11 ARG 105 14.406 -11.366 2.485 876 2HH1 ARG 105 HH12 ARG 105 15.350 -12.187 1.289 877 1HH2 ARG 105 HH21 ARG 105 14.978 -9.704 -1.141 878 2HH2 ARG 105 HH22 ARG 105 15.678 -11.244 -0.769 879 H GLN 106 HN GLN 106 13.479 -9.344 7.149 880 HA GLN 106 HA GLN 106 15.074 -11.113 8.703 881 1HB GLN 106 HB2 GLN 106 14.409 -9.689 10.628 882 2HB GLN 106 HB1 GLN 106 15.067 -8.786 9.273 883 1HG GLN 106 HG2 GLN 106 13.235 -7.558 10.101 884 2HG GLN 106 HG1 GLN 106 12.721 -8.281 8.582 885 1HE2 GLN 106 HE21 GLN 106 10.718 -8.952 8.657 886 2HE2 GLN 106 HE22 GLN 106 9.904 -9.644 10.012 887 H GLY 107 HN GLY 107 11.808 -11.218 7.816 888 1HA GLY 107 HA2 GLY 107 10.874 -13.486 8.456 889 2HA GLY 107 HA1 GLY 107 11.205 -12.987 10.106 890 H LEU 108 HN LEU 108 9.926 -10.900 7.578 891 HA LEU 108 HA LEU 108 7.585 -10.386 9.236 892 1HB LEU 108 HB2 LEU 108 9.061 -8.622 8.013 893 2HB LEU 108 HB1 LEU 108 8.147 -9.082 6.596 894 HG LEU 108 HG LEU 108 6.070 -8.543 8.033 895 1HD1 LEU 108 HD11 LEU 108 8.244 -7.710 9.777 896 2HD1 LEU 108 HD12 LEU 108 6.542 -7.996 10.140 897 3HD1 LEU 108 HD13 LEU 108 7.054 -6.442 9.481 898 1HD2 LEU 108 HD21 LEU 108 7.796 -7.000 6.347 899 2HD2 LEU 108 HD22 LEU 108 7.049 -5.952 7.558 900 3HD2 LEU 108 HD23 LEU 108 6.037 -6.938 6.500 901 H ALA 109 HN ALA 109 5.467 -10.095 7.960 902 HA ALA 109 HA ALA 109 4.581 -12.539 7.029 903 1HB ALA 109 HB1 ALA 109 3.256 -10.445 7.748 904 2HB ALA 109 HB2 ALA 109 2.564 -11.511 6.524 905 3HB ALA 109 HB3 ALA 109 3.340 -10.003 6.042 906 H LYS 110 HN LYS 110 5.257 -13.647 5.320 907 HA LYS 110 HA LYS 110 5.260 -12.385 2.706 908 1HB LYS 110 HB2 LYS 110 7.529 -13.286 2.169 909 2HB LYS 110 HB1 LYS 110 7.535 -11.978 3.344 910 1HG LYS 110 HG2 LYS 110 8.977 -13.404 4.362 911 2HG LYS 110 HG1 LYS 110 7.462 -13.985 5.056 912 1HD LYS 110 HD2 LYS 110 7.625 -15.968 4.024 913 2HD LYS 110 HD1 LYS 110 8.115 -15.232 2.498 914 1HE LYS 110 HE2 LYS 110 9.999 -15.457 4.825 915 2HE LYS 110 HE1 LYS 110 9.788 -16.774 3.672 916 1HZ LYS 110 HZ1 LYS 110 11.660 -15.311 3.117 917 2HZ LYS 110 HZ2 LYS 110 10.593 -14.009 2.950 918 3HZ LYS 110 HZ3 LYS 110 10.485 -15.330 1.899 Start of MODEL 3 1 1H ALA 1 HT1 ALA 1 -8.690 -6.199 -31.699 2 2H ALA 1 HT2 ALA 1 -7.858 -7.373 -30.763 3 3H ALA 1 HT3 ALA 1 -7.685 -5.704 -30.401 4 HA ALA 1 HA ALA 1 -10.183 -5.745 -30.090 5 1HB ALA 1 HB1 ALA 1 -10.984 -7.769 -30.706 6 2HB ALA 1 HB2 ALA 1 -10.598 -8.168 -29.032 7 3HB ALA 1 HB3 ALA 1 -9.479 -8.606 -30.324 8 H THR 2 HN THR 2 -7.365 -7.360 -28.720 9 HA THR 2 HA THR 2 -8.120 -6.347 -26.063 10 HB THR 2 HB THR 2 -6.279 -7.988 -25.310 11 HG1 THR 2 HG1 THR 2 -5.559 -8.284 -27.553 12 1HG2 THR 2 HG21 THR 2 -7.932 -9.998 -26.004 13 2HG2 THR 2 HG22 THR 2 -9.005 -8.611 -26.195 14 3HG2 THR 2 HG23 THR 2 -8.211 -8.906 -24.648 15 H SER 3 HN SER 3 -7.187 -4.477 -25.583 16 HA SER 3 HA SER 3 -4.484 -3.934 -26.605 17 1HB SER 3 HB2 SER 3 -5.187 -1.526 -25.768 18 2HB SER 3 HB1 SER 3 -5.746 -2.137 -27.325 19 HG SER 3 HG SER 3 -7.725 -2.489 -26.496 20 H THR 4 HN THR 4 -2.877 -3.131 -25.226 21 HA THR 4 HA THR 4 -3.200 -3.956 -22.448 22 HB THR 4 HB THR 4 -0.605 -2.884 -23.400 23 HG1 THR 4 HG1 THR 4 -0.168 -4.789 -24.548 24 1HG2 THR 4 HG21 THR 4 -1.419 -5.333 -21.860 25 2HG2 THR 4 HG22 THR 4 -0.648 -3.876 -21.233 26 3HG2 THR 4 HG23 THR 4 0.240 -4.947 -22.316 27 H LYS 5 HN LYS 5 -3.377 -2.584 -20.789 28 HA LYS 5 HA LYS 5 -3.251 0.284 -21.366 29 1HB LYS 5 HB2 LYS 5 -5.192 -1.117 -20.130 30 2HB LYS 5 HB1 LYS 5 -4.221 -0.673 -18.733 31 1HG LYS 5 HG2 LYS 5 -4.854 1.488 -20.646 32 2HG LYS 5 HG1 LYS 5 -6.191 0.851 -19.686 33 1HD LYS 5 HD2 LYS 5 -3.676 1.445 -18.242 34 2HD LYS 5 HD1 LYS 5 -4.593 2.828 -18.839 35 1HE LYS 5 HE2 LYS 5 -5.579 2.578 -16.798 36 2HE LYS 5 HE1 LYS 5 -6.609 1.512 -17.753 37 1HZ LYS 5 HZ1 LYS 5 -4.279 0.209 -16.675 38 2HZ LYS 5 HZ2 LYS 5 -5.899 -0.275 -16.647 39 3HZ LYS 5 HZ3 LYS 5 -5.323 0.810 -15.485 40 H LYS 6 HN LYS 6 -1.939 1.684 -20.268 41 HA LYS 6 HA LYS 6 0.088 0.448 -18.525 42 1HB LYS 6 HB2 LYS 6 1.497 2.449 -19.199 43 2HB LYS 6 HB1 LYS 6 1.180 1.266 -20.460 44 1HG LYS 6 HG2 LYS 6 -0.179 2.677 -21.639 45 2HG LYS 6 HG1 LYS 6 -0.644 3.600 -20.209 46 1HD LYS 6 HD2 LYS 6 2.024 4.100 -20.315 47 2HD LYS 6 HD1 LYS 6 1.637 3.949 -22.030 48 1HE LYS 6 HE2 LYS 6 1.070 6.115 -21.871 49 2HE LYS 6 HE1 LYS 6 -0.416 5.499 -21.149 50 1HZ LYS 6 HZ1 LYS 6 1.032 7.309 -19.954 51 2HZ LYS 6 HZ2 LYS 6 1.883 5.958 -19.395 52 3HZ LYS 6 HZ3 LYS 6 0.230 6.110 -19.069 53 H LEU 7 HN LEU 7 -0.208 0.899 -16.453 54 HA LEU 7 HA LEU 7 -1.715 3.240 -15.643 55 1HB LEU 7 HB2 LEU 7 -1.465 2.305 -13.361 56 2HB LEU 7 HB1 LEU 7 -2.209 1.195 -14.498 57 HG LEU 7 HG LEU 7 0.503 0.578 -14.629 58 1HD1 LEU 7 HD11 LEU 7 1.322 0.369 -12.441 59 2HD1 LEU 7 HD12 LEU 7 -0.247 0.742 -11.727 60 3HD1 LEU 7 HD13 LEU 7 0.678 2.008 -12.534 61 1HD2 LEU 7 HD21 LEU 7 -0.182 -1.489 -13.490 62 2HD2 LEU 7 HD22 LEU 7 -1.321 -1.014 -14.749 63 3HD2 LEU 7 HD23 LEU 7 -1.712 -0.729 -13.053 64 H HIS 8 HN HIS 8 -0.796 5.129 -15.237 65 HA HIS 8 HA HIS 8 2.035 5.452 -15.116 66 1HB HIS 8 HB2 HIS 8 1.432 7.854 -14.580 67 2HB HIS 8 HB1 HIS 8 0.788 7.229 -16.094 68 HD1 HIS 8 HD1 HIS 8 -1.045 9.114 -15.935 69 HD2 HIS 8 HD2 HIS 8 -1.204 6.240 -12.940 70 HE1 HIS 8 HE1 HIS 8 -3.303 9.386 -14.862 71 HE2 HIS 8 HE2 HIS 8 -3.342 7.694 -12.996 72 H LYS 9 HN LYS 9 2.731 7.160 -13.249 73 HA LYS 9 HA LYS 9 2.091 5.810 -10.709 74 1HB LYS 9 HB2 LYS 9 4.658 7.183 -11.527 75 2HB LYS 9 HB1 LYS 9 4.353 6.445 -9.961 76 1HG LYS 9 HG2 LYS 9 4.357 4.973 -12.588 77 2HG LYS 9 HG1 LYS 9 5.705 5.027 -11.449 78 1HD LYS 9 HD2 LYS 9 2.952 3.994 -10.779 79 2HD LYS 9 HD1 LYS 9 4.303 2.972 -11.275 80 1HE LYS 9 HE2 LYS 9 4.993 4.793 -9.110 81 2HE LYS 9 HE1 LYS 9 3.672 3.704 -8.690 82 1HZ LYS 9 HZ1 LYS 9 6.439 3.147 -8.912 83 2HZ LYS 9 HZ2 LYS 9 5.570 2.156 -9.971 84 3HZ LYS 9 HZ3 LYS 9 5.198 2.160 -8.322 85 H GLU 10 HN GLU 10 1.242 6.992 -9.123 86 HA GLU 10 HA GLU 10 1.437 9.926 -9.306 87 1HB GLU 10 HB2 GLU 10 -0.936 8.454 -8.171 88 2HB GLU 10 HB1 GLU 10 -0.813 10.162 -8.574 89 1HG GLU 10 HG2 GLU 10 -0.617 7.991 -10.637 90 2HG GLU 10 HG1 GLU 10 -2.148 8.717 -10.152 91 HA PRO 11 HA PRO 11 3.002 9.161 -5.157 92 1HB PRO 11 HB2 PRO 11 4.417 11.406 -4.908 93 2HB PRO 11 HB1 PRO 11 4.946 10.110 -5.985 94 1HG PRO 11 HG2 PRO 11 3.657 12.711 -6.643 95 2HG PRO 11 HG1 PRO 11 4.876 11.799 -7.548 96 1HD PRO 11 HD2 PRO 11 2.107 11.835 -8.042 97 2HD PRO 11 HD1 PRO 11 3.279 10.695 -8.725 98 H ALA 12 HN ALA 12 2.768 10.160 -3.058 99 HA ALA 12 HA ALA 12 1.248 12.553 -2.718 100 1HB ALA 12 HB1 ALA 12 -0.134 9.923 -2.629 101 2HB ALA 12 HB2 ALA 12 -0.709 11.485 -3.215 102 3HB ALA 12 HB3 ALA 12 -0.612 11.173 -1.481 103 H THR 13 HN THR 13 0.524 12.753 -0.336 104 HA THR 13 HA THR 13 2.720 11.722 1.316 105 HB THR 13 HB THR 13 2.525 14.165 1.184 106 HG1 THR 13 HG1 THR 13 1.787 13.150 3.727 107 1HG2 THR 13 HG21 THR 13 0.711 15.404 1.968 108 2HG2 THR 13 HG22 THR 13 -0.059 13.989 2.687 109 3HG2 THR 13 HG23 THR 13 -0.002 14.167 0.933 110 H LEU 14 HN LEU 14 2.187 9.936 2.363 111 HA LEU 14 HA LEU 14 -0.481 9.288 3.130 112 1HB LEU 14 HB2 LEU 14 0.897 7.486 2.486 113 2HB LEU 14 HB1 LEU 14 2.180 7.996 3.559 114 HG LEU 14 HG LEU 14 -0.366 7.296 4.879 115 1HD1 LEU 14 HD11 LEU 14 1.201 5.353 3.243 116 2HD1 LEU 14 HD12 LEU 14 -0.544 5.491 3.460 117 3HD1 LEU 14 HD13 LEU 14 0.455 4.828 4.753 118 1HD2 LEU 14 HD21 LEU 14 1.163 6.243 6.465 119 2HD2 LEU 14 HD22 LEU 14 1.629 7.912 6.136 120 3HD2 LEU 14 HD23 LEU 14 2.518 6.584 5.390 121 H ILE 15 HN ILE 15 -1.491 9.789 4.943 122 HA ILE 15 HA ILE 15 -0.175 11.350 6.941 123 HB ILE 15 HB ILE 15 -2.334 11.371 8.100 124 1HG1 ILE 15 HG12 ILE 15 -4.246 10.295 6.618 125 2HG1 ILE 15 HG11 ILE 15 -2.951 9.208 6.132 126 1HG2 ILE 15 HG21 ILE 15 -3.219 12.892 6.688 127 2HG2 ILE 15 HG22 ILE 15 -3.170 11.799 5.305 128 3HG2 ILE 15 HG23 ILE 15 -1.706 12.635 5.820 129 1HD1 ILE 15 HD11 ILE 15 -3.221 8.030 7.984 130 2HD1 ILE 15 HD12 ILE 15 -4.564 9.084 8.430 131 3HD1 ILE 15 HD13 ILE 15 -2.929 9.465 8.968 132 H LYS 16 HN LYS 16 -1.567 8.060 6.866 133 HA LYS 16 HA LYS 16 0.344 6.981 8.608 134 1HB LYS 16 HB2 LYS 16 -1.605 8.540 9.963 135 2HB LYS 16 HB1 LYS 16 -1.933 6.857 10.341 136 1HG LYS 16 HG2 LYS 16 0.311 6.563 11.167 137 2HG LYS 16 HG1 LYS 16 0.738 8.202 10.674 138 1HD LYS 16 HD2 LYS 16 -1.581 7.821 12.503 139 2HD LYS 16 HD1 LYS 16 0.048 7.653 13.161 140 1HE LYS 16 HE2 LYS 16 0.559 9.896 12.106 141 2HE LYS 16 HE1 LYS 16 -1.174 10.051 11.814 142 1HZ LYS 16 HZ1 LYS 16 0.313 10.254 14.297 143 2HZ LYS 16 HZ2 LYS 16 -1.156 9.422 14.400 144 3HZ LYS 16 HZ3 LYS 16 -1.124 11.014 13.830 145 H ALA 17 HN ALA 17 -0.483 4.861 9.639 146 HA ALA 17 HA ALA 17 -2.116 3.509 7.612 147 1HB ALA 17 HB1 ALA 17 0.274 2.805 8.896 148 2HB ALA 17 HB2 ALA 17 -0.690 1.814 7.801 149 3HB ALA 17 HB3 ALA 17 -0.957 1.719 9.541 150 H ILE 18 HN ILE 18 -3.868 2.189 8.192 151 HA ILE 18 HA ILE 18 -5.062 2.897 10.776 152 HB ILE 18 HB ILE 18 -6.298 1.931 8.201 153 1HG1 ILE 18 HG12 ILE 18 -6.769 4.456 9.795 154 2HG1 ILE 18 HG11 ILE 18 -5.653 4.343 8.437 155 1HG2 ILE 18 HG21 ILE 18 -7.786 0.894 9.554 156 2HG2 ILE 18 HG22 ILE 18 -8.441 2.524 9.708 157 3HG2 ILE 18 HG23 ILE 18 -7.368 1.883 10.953 158 1HD1 ILE 18 HD11 ILE 18 -8.179 5.172 8.203 159 2HD1 ILE 18 HD12 ILE 18 -8.416 3.444 7.936 160 3HD1 ILE 18 HD13 ILE 18 -7.307 4.353 6.908 161 H ASP 19 HN ASP 19 -5.436 0.056 8.642 162 HA ASP 19 HA ASP 19 -5.078 -1.635 11.031 163 1HB ASP 19 HB2 ASP 19 -7.398 -1.515 9.910 164 2HB ASP 19 HB1 ASP 19 -6.671 -2.465 8.617 165 H GLY 20 HN GLY 20 -2.855 -0.874 9.533 166 1HA GLY 20 HA2 GLY 20 -0.939 -2.006 8.856 167 2HA GLY 20 HA1 GLY 20 -1.884 -3.482 8.743 168 H ASP 21 HN ASP 21 -3.762 -3.037 6.935 169 HA ASP 21 HA ASP 21 -2.226 -2.547 4.496 170 1HB ASP 21 HB2 ASP 21 -4.057 -4.529 5.211 171 2HB ASP 21 HB1 ASP 21 -4.946 -3.498 4.094 172 H THR 22 HN THR 22 -5.070 -1.475 6.246 173 HA THR 22 HA THR 22 -5.952 0.325 4.192 174 HB THR 22 HB THR 22 -6.701 0.025 7.105 175 HG1 THR 22 HG1 THR 22 -7.477 -1.644 5.879 176 1HG2 THR 22 HG21 THR 22 -8.002 1.788 5.043 177 2HG2 THR 22 HG22 THR 22 -7.137 2.324 6.479 178 3HG2 THR 22 HG23 THR 22 -8.645 1.426 6.644 179 H VAL 23 HN VAL 23 -4.650 1.982 3.666 180 HA VAL 23 HA VAL 23 -3.606 3.634 5.871 181 HB VAL 23 HB VAL 23 -1.623 4.152 4.577 182 1HG1 VAL 23 HG11 VAL 23 -1.590 2.189 6.060 183 2HG1 VAL 23 HG12 VAL 23 -0.504 1.998 4.683 184 3HG1 VAL 23 HG13 VAL 23 -2.060 1.167 4.701 185 1HG2 VAL 23 HG21 VAL 23 -1.123 3.072 2.464 186 2HG2 VAL 23 HG22 VAL 23 -2.643 3.958 2.337 187 3HG2 VAL 23 HG23 VAL 23 -2.657 2.203 2.514 188 H LYS 24 HN LYS 24 -3.185 5.889 5.264 189 HA LYS 24 HA LYS 24 -5.074 6.807 3.194 190 1HB LYS 24 HB2 LYS 24 -6.017 7.424 5.269 191 2HB LYS 24 HB1 LYS 24 -4.463 7.922 5.924 192 1HG LYS 24 HG2 LYS 24 -5.702 9.890 5.473 193 2HG LYS 24 HG1 LYS 24 -4.444 9.777 4.235 194 1HD LYS 24 HD2 LYS 24 -6.026 9.916 2.676 195 2HD LYS 24 HD1 LYS 24 -6.689 8.384 3.244 196 1HE LYS 24 HE2 LYS 24 -7.384 10.894 4.697 197 2HE LYS 24 HE1 LYS 24 -8.178 10.545 3.162 198 1HZ LYS 24 HZ1 LYS 24 -8.106 8.343 5.042 199 2HZ LYS 24 HZ2 LYS 24 -9.372 8.891 4.063 200 3HZ LYS 24 HZ3 LYS 24 -9.042 9.665 5.531 201 H LEU 25 HN LEU 25 -4.347 8.219 1.713 202 HA LEU 25 HA LEU 25 -1.899 9.690 2.180 203 1HB LEU 25 HB2 LEU 25 -0.733 8.971 0.281 204 2HB LEU 25 HB1 LEU 25 -1.320 7.516 1.042 205 HG LEU 25 HG LEU 25 -3.187 7.514 -0.642 206 1HD1 LEU 25 HD11 LEU 25 -1.827 8.898 -2.704 207 2HD1 LEU 25 HD12 LEU 25 -2.045 10.003 -1.350 208 3HD1 LEU 25 HD13 LEU 25 -3.440 9.195 -2.056 209 1HD2 LEU 25 HD21 LEU 25 -1.814 6.487 -2.352 210 2HD2 LEU 25 HD22 LEU 25 -1.224 6.045 -0.750 211 3HD2 LEU 25 HD23 LEU 25 -0.377 7.272 -1.694 212 H MET 26 HN MET 26 -1.877 11.674 1.419 213 HA MET 26 HA MET 26 -4.276 12.765 0.266 214 1HB MET 26 HB2 MET 26 -1.861 13.757 1.500 215 2HB MET 26 HB1 MET 26 -2.188 14.647 0.020 216 1HG MET 26 HG2 MET 26 -3.450 15.912 1.370 217 2HG MET 26 HG1 MET 26 -4.643 14.640 1.114 218 1HE MET 26 HE1 MET 26 -3.400 16.293 4.874 219 2HE MET 26 HE2 MET 26 -3.085 16.835 3.225 220 3HE MET 26 HE3 MET 26 -1.886 15.863 4.078 221 H TYR 27 HN TYR 27 -4.670 12.037 -1.757 222 HA TYR 27 HA TYR 27 -2.571 11.956 -3.755 223 1HB TYR 27 HB2 TYR 27 -4.157 10.114 -3.610 224 2HB TYR 27 HB1 TYR 27 -5.491 11.223 -3.900 225 HD1 TYR 27 HD1 TYR 27 -5.259 12.616 -6.134 226 HD2 TYR 27 HD2 TYR 27 -3.317 8.915 -5.398 227 HE1 TYR 27 HE1 TYR 27 -5.064 12.264 -8.544 228 HE2 TYR 27 HE2 TYR 27 -3.095 8.542 -7.820 229 HH TYR 27 HH TYR 27 -3.739 11.010 -10.123 230 H LYS 28 HN LYS 28 -2.023 13.741 -4.777 231 HA LYS 28 HA LYS 28 -2.123 15.829 -5.700 232 1HB LYS 28 HB2 LYS 28 -4.156 14.128 -6.978 233 2HB LYS 28 HB1 LYS 28 -4.363 15.850 -7.258 234 1HG LYS 28 HG2 LYS 28 -1.731 15.613 -7.754 235 2HG LYS 28 HG1 LYS 28 -2.285 14.007 -8.230 236 1HD LYS 28 HD2 LYS 28 -2.312 15.532 -10.132 237 2HD LYS 28 HD1 LYS 28 -3.949 15.026 -9.713 238 1HE LYS 28 HE2 LYS 28 -4.526 17.166 -9.589 239 2HE LYS 28 HE1 LYS 28 -3.443 17.341 -8.209 240 1HZ LYS 28 HZ1 LYS 28 -3.185 18.774 -10.401 241 2HZ LYS 28 HZ2 LYS 28 -2.236 17.452 -10.861 242 3HZ LYS 28 HZ3 LYS 28 -1.853 18.320 -9.461 243 H GLY 29 HN GLY 29 -3.273 15.764 -3.098 244 1HA GLY 29 HA2 GLY 29 -4.172 17.594 -1.898 245 2HA GLY 29 HA1 GLY 29 -5.029 18.093 -3.348 246 H GLN 30 HN GLN 30 -5.747 15.045 -3.515 247 HA GLN 30 HA GLN 30 -8.016 15.222 -1.644 248 1HB GLN 30 HB2 GLN 30 -8.346 13.379 -3.897 249 2HB GLN 30 HB1 GLN 30 -9.454 14.586 -3.264 250 1HG GLN 30 HG2 GLN 30 -9.097 15.483 -5.307 251 2HG GLN 30 HG1 GLN 30 -7.737 16.222 -4.463 252 1HE2 GLN 30 HE21 GLN 30 -8.174 12.910 -5.619 253 2HE2 GLN 30 HE22 GLN 30 -6.802 12.913 -6.665 254 HA PRO 31 HA PRO 31 -5.671 11.606 -0.168 255 1HB PRO 31 HB2 PRO 31 -6.740 11.619 2.330 256 2HB PRO 31 HB1 PRO 31 -5.391 12.654 1.857 257 1HG PRO 31 HG2 PRO 31 -8.304 13.308 2.059 258 2HG PRO 31 HG1 PRO 31 -6.903 14.260 2.588 259 1HD PRO 31 HD2 PRO 31 -8.207 14.768 0.281 260 2HD PRO 31 HD1 PRO 31 -6.468 15.036 0.461 261 H MET 32 HN MET 32 -6.214 9.505 0.199 262 HA MET 32 HA MET 32 -9.027 8.737 0.411 263 1HB MET 32 HB2 MET 32 -7.230 7.598 -1.736 264 2HB MET 32 HB1 MET 32 -8.939 7.277 -1.499 265 1HG MET 32 HG2 MET 32 -7.832 9.981 -2.203 266 2HG MET 32 HG1 MET 32 -8.394 8.809 -3.394 267 1HE MET 32 HE1 MET 32 -10.264 9.045 -4.439 268 2HE MET 32 HE2 MET 32 -10.502 10.787 -4.296 269 3HE MET 32 HE3 MET 32 -11.822 9.682 -3.910 270 H THR 33 HN THR 33 -9.247 6.401 0.909 271 HA THR 33 HA THR 33 -6.964 5.509 2.514 272 HB THR 33 HB THR 33 -8.939 3.723 3.066 273 HG1 THR 33 HG1 THR 33 -10.248 6.204 2.684 274 1HG2 THR 33 HG21 THR 33 -9.578 5.667 4.839 275 2HG2 THR 33 HG22 THR 33 -7.959 6.156 4.339 276 3HG2 THR 33 HG23 THR 33 -8.227 4.545 5.004 277 H PHE 34 HN PHE 34 -5.682 3.936 1.801 278 HA PHE 34 HA PHE 34 -6.659 2.296 -0.426 279 1HB PHE 34 HB2 PHE 34 -3.785 2.907 0.268 280 2HB PHE 34 HB1 PHE 34 -4.372 2.094 -1.180 281 HD1 PHE 34 HD1 PHE 34 -4.910 5.299 0.657 282 HD2 PHE 34 HD2 PHE 34 -4.506 3.335 -3.097 283 HE1 PHE 34 HE1 PHE 34 -5.093 7.460 -0.489 284 HE2 PHE 34 HE2 PHE 34 -4.677 5.507 -4.248 285 HZ PHE 34 HZ PHE 34 -4.970 7.571 -2.929 286 H ARG 35 HN ARG 35 -6.183 0.083 -0.513 287 HA ARG 35 HA ARG 35 -5.142 -1.125 1.937 288 1HB ARG 35 HB2 ARG 35 -7.472 -1.155 2.335 289 2HB ARG 35 HB1 ARG 35 -7.824 -1.652 0.686 290 1HG ARG 35 HG2 ARG 35 -6.548 -3.807 1.292 291 2HG ARG 35 HG1 ARG 35 -6.765 -3.285 2.963 292 1HD ARG 35 HD2 ARG 35 -8.754 -4.292 2.882 293 2HD ARG 35 HD1 ARG 35 -9.271 -2.964 1.849 294 HE ARG 35 HE ARG 35 -9.121 -4.353 0.002 295 1HH1 ARG 35 HH11 ARG 35 -7.909 -5.986 2.844 296 2HH1 ARG 35 HH12 ARG 35 -7.901 -7.545 2.092 297 1HH2 ARG 35 HH21 ARG 35 -9.107 -6.404 -0.981 298 2HH2 ARG 35 HH22 ARG 35 -8.581 -7.784 -0.076 299 H LEU 36 HN LEU 36 -3.464 -2.253 1.316 300 HA LEU 36 HA LEU 36 -3.432 -4.607 0.057 301 1HB LEU 36 HB2 LEU 36 -2.757 -4.331 -2.221 302 2HB LEU 36 HB1 LEU 36 -4.299 -3.558 -1.971 303 HG LEU 36 HG LEU 36 -3.476 -1.810 -3.040 304 1HD1 LEU 36 HD11 LEU 36 -1.425 -1.383 -0.891 305 2HD1 LEU 36 HD12 LEU 36 -3.140 -1.078 -0.628 306 3HD1 LEU 36 HD13 LEU 36 -2.272 -0.183 -1.862 307 1HD2 LEU 36 HD21 LEU 36 -0.610 -2.538 -2.658 308 2HD2 LEU 36 HD22 LEU 36 -1.401 -1.778 -4.038 309 3HD2 LEU 36 HD23 LEU 36 -1.632 -3.498 -3.726 310 H LEU 37 HN LEU 37 -0.989 -4.192 -1.627 311 HA LEU 37 HA LEU 37 1.264 -3.978 -1.416 312 1HB LEU 37 HB2 LEU 37 0.396 -2.204 0.834 313 2HB LEU 37 HB1 LEU 37 2.078 -2.665 0.698 314 HG LEU 37 HG LEU 37 0.819 -1.569 -1.746 315 1HD1 LEU 37 HD11 LEU 37 0.575 0.585 -1.058 316 2HD1 LEU 37 HD12 LEU 37 1.757 0.424 0.239 317 3HD1 LEU 37 HD13 LEU 37 0.133 -0.234 0.439 318 1HD2 LEU 37 HD21 LEU 37 3.006 -0.505 -1.957 319 2HD2 LEU 37 HD22 LEU 37 3.165 -2.241 -1.689 320 3HD2 LEU 37 HD23 LEU 37 3.461 -1.114 -0.366 321 H LEU 38 HN LEU 38 0.468 -3.992 2.039 322 HA LEU 38 HA LEU 38 2.281 -6.093 2.606 323 1HB LEU 38 HB2 LEU 38 0.036 -4.896 4.227 324 2HB LEU 38 HB1 LEU 38 1.146 -6.099 4.853 325 HG LEU 38 HG LEU 38 1.941 -4.024 5.638 326 1HD1 LEU 38 HD11 LEU 38 3.687 -5.490 4.745 327 2HD1 LEU 38 HD12 LEU 38 4.117 -3.786 4.594 328 3HD1 LEU 38 HD13 LEU 38 3.558 -4.684 3.182 329 1HD2 LEU 38 HD21 LEU 38 0.574 -2.737 3.900 330 2HD2 LEU 38 HD22 LEU 38 1.997 -2.877 2.867 331 3HD2 LEU 38 HD23 LEU 38 2.111 -2.041 4.416 332 H VAL 39 HN VAL 39 1.796 -7.911 1.387 333 HA VAL 39 HA VAL 39 -0.804 -9.180 1.943 334 HB VAL 39 HB VAL 39 1.057 -9.797 -0.353 335 1HG1 VAL 39 HG11 VAL 39 -0.894 -10.964 -1.279 336 2HG1 VAL 39 HG12 VAL 39 -1.803 -10.592 0.185 337 3HG1 VAL 39 HG13 VAL 39 -0.393 -11.648 0.267 338 1HG2 VAL 39 HG21 VAL 39 -0.347 -7.477 -0.087 339 2HG2 VAL 39 HG22 VAL 39 -1.504 -8.498 -0.940 340 3HG2 VAL 39 HG23 VAL 39 0.097 -8.216 -1.625 341 H ASP 40 HN ASP 40 -0.611 -10.597 3.542 342 HA ASP 40 HA ASP 40 1.508 -12.615 3.373 343 1HB ASP 40 HB2 ASP 40 1.106 -10.663 5.534 344 2HB ASP 40 HB1 ASP 40 1.220 -12.330 6.088 345 H THR 41 HN THR 41 0.950 -14.649 4.309 346 HA THR 41 HA THR 41 -1.945 -14.937 4.790 347 HB THR 41 HB THR 41 -1.344 -16.000 2.735 348 HG1 THR 41 HG1 THR 41 -2.358 -17.789 3.191 349 1HG2 THR 41 HG21 THR 41 1.043 -16.825 4.174 350 2HG2 THR 41 HG22 THR 41 0.763 -16.638 2.443 351 3HG2 THR 41 HG23 THR 41 0.284 -18.127 3.259 352 HA PRO 42 HA PRO 42 -0.117 -15.897 8.906 353 1HB PRO 42 HB2 PRO 42 -3.051 -16.031 9.417 354 2HB PRO 42 HB1 PRO 42 -1.778 -15.249 10.361 355 1HG PRO 42 HG2 PRO 42 -3.429 -13.811 8.846 356 2HG PRO 42 HG1 PRO 42 -1.713 -13.391 8.981 357 1HD PRO 42 HD2 PRO 42 -3.172 -14.696 6.741 358 2HD PRO 42 HD1 PRO 42 -1.798 -13.577 6.690 359 H GLU 43 HN GLU 43 0.587 -17.916 9.104 360 HA GLU 43 HA GLU 43 0.551 -20.160 9.539 361 1HB GLU 43 HB2 GLU 43 -1.979 -19.433 10.276 362 2HB GLU 43 HB1 GLU 43 -2.308 -20.618 9.019 363 1HG GLU 43 HG2 GLU 43 -0.277 -21.411 10.985 364 2HG GLU 43 HG1 GLU 43 -1.911 -21.214 11.619 365 H THR 44 HN THR 44 -1.961 -19.511 7.076 366 HA THR 44 HA THR 44 -1.319 -21.754 5.496 367 HB THR 44 HB THR 44 -2.418 -19.672 3.863 368 HG1 THR 44 HG1 THR 44 -3.761 -19.989 6.335 369 1HG2 THR 44 HG21 THR 44 -4.132 -21.737 5.132 370 2HG2 THR 44 HG22 THR 44 -2.867 -22.245 4.013 371 3HG2 THR 44 HG23 THR 44 -4.124 -21.130 3.476 372 H LYS 45 HN LYS 45 -0.707 -21.406 3.079 373 HA LYS 45 HA LYS 45 1.747 -19.777 3.036 374 1HB LYS 45 HB2 LYS 45 1.077 -22.464 1.923 375 2HB LYS 45 HB1 LYS 45 2.218 -21.463 1.034 376 1HG LYS 45 HG2 LYS 45 2.593 -21.941 3.960 377 2HG LYS 45 HG1 LYS 45 3.099 -23.150 2.778 378 1HD LYS 45 HD2 LYS 45 3.934 -20.283 2.505 379 2HD LYS 45 HD1 LYS 45 4.816 -21.389 3.561 380 1HE LYS 45 HE2 LYS 45 5.985 -21.597 1.586 381 2HE LYS 45 HE1 LYS 45 4.843 -22.935 1.468 382 1HZ LYS 45 HZ1 LYS 45 3.980 -20.377 0.372 383 2HZ LYS 45 HZ2 LYS 45 3.717 -21.946 -0.204 384 3HZ LYS 45 HZ3 LYS 45 5.202 -21.184 -0.473 385 H HIS 46 HN HIS 46 -1.263 -20.456 1.440 386 HA HIS 46 HA HIS 46 -0.647 -19.175 -1.027 387 1HB HIS 46 HB2 HIS 46 -3.010 -20.350 0.254 388 2HB HIS 46 HB1 HIS 46 -3.384 -18.956 -0.753 389 HD1 HIS 46 HD1 HIS 46 -3.274 -19.266 -3.264 390 HD2 HIS 46 HD2 HIS 46 -1.863 -22.555 -1.153 391 HE1 HIS 46 HE1 HIS 46 -2.980 -21.085 -4.975 392 HE2 HIS 46 HE2 HIS 46 -2.024 -23.031 -3.691 393 HA PRO 47 HA PRO 47 -0.695 -14.971 0.405 394 1HB PRO 47 HB2 PRO 47 -1.521 -14.259 -2.339 395 2HB PRO 47 HB1 PRO 47 -0.088 -13.771 -1.430 396 1HG PRO 47 HG2 PRO 47 0.079 -15.513 -3.451 397 2HG PRO 47 HG1 PRO 47 1.088 -15.678 -2.001 398 1HD PRO 47 HD2 PRO 47 -1.391 -17.173 -2.766 399 2HD PRO 47 HD1 PRO 47 0.104 -17.773 -2.019 400 H LYS 48 HN LYS 48 -3.244 -16.464 0.723 401 HA LYS 48 HA LYS 48 -5.044 -14.161 0.439 402 1HB LYS 48 HB2 LYS 48 -5.329 -16.498 -0.986 403 2HB LYS 48 HB1 LYS 48 -6.383 -16.768 0.396 404 1HG LYS 48 HG2 LYS 48 -6.510 -14.335 -1.370 405 2HG LYS 48 HG1 LYS 48 -7.509 -15.773 -1.583 406 1HD LYS 48 HD2 LYS 48 -8.960 -14.962 -0.108 407 2HD LYS 48 HD1 LYS 48 -7.708 -15.011 1.133 408 1HE LYS 48 HE2 LYS 48 -8.442 -12.785 1.111 409 2HE LYS 48 HE1 LYS 48 -6.931 -12.769 0.203 410 1HZ LYS 48 HZ1 LYS 48 -8.092 -12.626 -1.825 411 2HZ LYS 48 HZ2 LYS 48 -8.830 -11.499 -0.802 412 3HZ LYS 48 HZ3 LYS 48 -9.581 -12.984 -1.105 413 H LYS 49 HN LYS 49 -4.871 -13.505 2.547 414 HA LYS 49 HA LYS 49 -6.550 -14.535 4.465 415 1HB LYS 49 HB2 LYS 49 -4.812 -16.431 4.396 416 2HB LYS 49 HB1 LYS 49 -3.731 -15.300 5.185 417 1HG LYS 49 HG2 LYS 49 -4.555 -16.022 7.114 418 2HG LYS 49 HG1 LYS 49 -6.048 -15.181 6.699 419 1HD LYS 49 HD2 LYS 49 -5.997 -17.685 5.332 420 2HD LYS 49 HD1 LYS 49 -5.629 -17.963 7.035 421 1HE LYS 49 HE2 LYS 49 -7.926 -16.218 6.223 422 2HE LYS 49 HE1 LYS 49 -8.098 -17.973 6.263 423 1HZ LYS 49 HZ1 LYS 49 -7.695 -18.024 8.554 424 2HZ LYS 49 HZ2 LYS 49 -8.738 -16.709 8.342 425 3HZ LYS 49 HZ3 LYS 49 -7.085 -16.445 8.586 426 H GLY 50 HN GLY 50 -5.820 -12.055 3.478 427 1HA GLY 50 HA2 GLY 50 -5.439 -9.919 4.212 428 2HA GLY 50 HA1 GLY 50 -5.587 -10.558 5.842 429 H VAL 51 HN VAL 51 -3.921 -9.957 7.011 430 HA VAL 51 HA VAL 51 -1.228 -10.072 5.809 431 HB VAL 51 HB VAL 51 -0.639 -8.302 7.565 432 1HG1 VAL 51 HG11 VAL 51 -2.271 -7.820 5.104 433 2HG1 VAL 51 HG12 VAL 51 -0.540 -7.596 5.358 434 3HG1 VAL 51 HG13 VAL 51 -1.691 -6.470 6.078 435 1HG2 VAL 51 HG21 VAL 51 -3.407 -7.311 7.440 436 2HG2 VAL 51 HG22 VAL 51 -2.231 -7.237 8.752 437 3HG2 VAL 51 HG23 VAL 51 -3.151 -8.716 8.474 438 H GLU 52 HN GLU 52 0.534 -10.376 7.404 439 HA GLU 52 HA GLU 52 -0.074 -12.577 9.136 440 1HB GLU 52 HB2 GLU 52 2.176 -11.719 7.784 441 2HB GLU 52 HB1 GLU 52 2.574 -11.384 9.461 442 1HG GLU 52 HG2 GLU 52 1.502 -13.918 9.560 443 2HG GLU 52 HG1 GLU 52 2.415 -13.913 8.052 444 H LYS 53 HN LYS 53 0.609 -12.642 11.428 445 HA LYS 53 HA LYS 53 -0.340 -10.258 12.790 446 1HB LYS 53 HB2 LYS 53 0.046 -13.117 13.511 447 2HB LYS 53 HB1 LYS 53 0.139 -11.939 14.813 448 1HG LYS 53 HG2 LYS 53 -2.177 -12.209 12.909 449 2HG LYS 53 HG1 LYS 53 -2.110 -12.909 14.529 450 1HD LYS 53 HD2 LYS 53 -1.451 -10.083 14.540 451 2HD LYS 53 HD1 LYS 53 -3.047 -10.385 13.849 452 1HE LYS 53 HE2 LYS 53 -3.911 -10.837 15.852 453 2HE LYS 53 HE1 LYS 53 -2.618 -11.975 16.222 454 1HZ LYS 53 HZ1 LYS 53 -1.353 -10.350 17.218 455 2HZ LYS 53 HZ2 LYS 53 -2.914 -9.870 17.662 456 3HZ LYS 53 HZ3 LYS 53 -2.115 -9.081 16.398 457 H TYR 54 HN TYR 54 1.339 -8.783 12.644 458 HA TYR 54 HA TYR 54 3.685 -9.421 14.301 459 1HB TYR 54 HB2 TYR 54 5.020 -7.996 12.652 460 2HB TYR 54 HB1 TYR 54 4.556 -9.609 12.110 461 HD1 TYR 54 HD1 TYR 54 2.605 -9.857 10.559 462 HD2 TYR 54 HD2 TYR 54 4.270 -6.071 11.522 463 HE1 TYR 54 HE1 TYR 54 1.480 -8.877 8.604 464 HE2 TYR 54 HE2 TYR 54 3.163 -5.080 9.577 465 HH TYR 54 HH TYR 54 2.212 -5.722 7.461 466 H GLY 55 HN GLY 55 1.556 -6.959 12.922 467 1HA GLY 55 HA2 GLY 55 0.715 -5.124 14.106 468 2HA GLY 55 HA1 GLY 55 1.981 -5.335 15.295 469 HA PRO 56 HA PRO 56 3.873 -1.515 14.159 470 1HB PRO 56 HB2 PRO 56 6.270 -3.309 14.193 471 2HB PRO 56 HB1 PRO 56 6.101 -1.663 14.825 472 1HG PRO 56 HG2 PRO 56 5.920 -3.750 16.461 473 2HG PRO 56 HG1 PRO 56 4.845 -2.354 16.654 474 1HD PRO 56 HD2 PRO 56 4.236 -5.072 15.684 475 2HD PRO 56 HD1 PRO 56 3.155 -3.862 16.397 476 H GLU 57 HN GLU 57 5.486 -4.246 12.476 477 HA GLU 57 HA GLU 57 6.549 -2.834 10.392 478 1HB GLU 57 HB2 GLU 57 5.378 -5.510 9.776 479 2HB GLU 57 HB1 GLU 57 6.905 -4.820 9.269 480 1HG GLU 57 HG2 GLU 57 6.201 -5.983 11.945 481 2HG GLU 57 HG1 GLU 57 7.409 -6.543 10.792 482 H ALA 58 HN ALA 58 3.207 -3.296 10.932 483 HA ALA 58 HA ALA 58 2.493 -2.880 8.153 484 1HB ALA 58 HB1 ALA 58 0.386 -2.783 10.209 485 2HB ALA 58 HB2 ALA 58 1.279 -4.301 10.093 486 3HB ALA 58 HB3 ALA 58 0.443 -3.658 8.678 487 H SER 59 HN SER 59 1.615 -1.293 11.226 488 HA SER 59 HA SER 59 1.059 1.163 9.774 489 1HB SER 59 HB2 SER 59 0.015 1.951 11.776 490 2HB SER 59 HB1 SER 59 -0.469 0.267 11.582 491 HG SER 59 HG SER 59 0.184 0.698 13.719 492 H ALA 60 HN ALA 60 3.112 0.090 12.467 493 HA ALA 60 HA ALA 60 4.420 2.484 12.973 494 1HB ALA 60 HB1 ALA 60 6.072 1.219 14.107 495 2HB ALA 60 HB2 ALA 60 5.740 -0.215 13.137 496 3HB ALA 60 HB3 ALA 60 4.551 0.352 14.310 497 H PHE 61 HN PHE 61 5.024 0.073 10.476 498 HA PHE 61 HA PHE 61 7.406 1.482 9.574 499 1HB PHE 61 HB2 PHE 61 6.847 -1.138 9.599 500 2HB PHE 61 HB1 PHE 61 6.270 -0.752 7.983 501 HD1 PHE 61 HD1 PHE 61 7.773 -0.381 6.211 502 HD2 PHE 61 HD2 PHE 61 9.220 -0.656 10.203 503 HE1 PHE 61 HE1 PHE 61 10.080 -0.492 5.363 504 HE2 PHE 61 HE2 PHE 61 11.531 -0.766 9.362 505 HZ PHE 61 HZ PHE 61 11.963 -0.683 6.939 506 H THR 62 HN THR 62 4.039 1.385 8.873 507 HA THR 62 HA THR 62 4.260 2.254 6.148 508 HB THR 62 HB THR 62 2.075 1.710 8.079 509 HG1 THR 62 HG1 THR 62 2.408 0.120 6.669 510 1HG2 THR 62 HG21 THR 62 1.194 3.792 7.463 511 2HG2 THR 62 HG22 THR 62 0.414 2.630 6.389 512 3HG2 THR 62 HG23 THR 62 1.740 3.627 5.794 513 H LYS 63 HN LYS 63 2.784 3.922 8.953 514 HA LYS 63 HA LYS 63 2.817 6.462 7.787 515 1HB LYS 63 HB2 LYS 63 2.326 7.311 9.990 516 2HB LYS 63 HB1 LYS 63 1.450 5.806 9.751 517 1HG LYS 63 HG2 LYS 63 3.857 5.031 10.891 518 2HG LYS 63 HG1 LYS 63 3.414 6.506 11.750 519 1HD LYS 63 HD2 LYS 63 1.119 4.792 11.402 520 2HD LYS 63 HD1 LYS 63 2.437 3.920 12.186 521 1HE LYS 63 HE2 LYS 63 1.748 6.662 13.130 522 2HE LYS 63 HE1 LYS 63 0.714 5.312 13.597 523 1HZ LYS 63 HZ1 LYS 63 2.525 5.830 15.194 524 2HZ LYS 63 HZ2 LYS 63 3.649 5.358 14.023 525 3HZ LYS 63 HZ3 LYS 63 2.543 4.233 14.633 526 H LYS 64 HN LYS 64 5.331 4.656 9.330 527 HA LYS 64 HA LYS 64 6.988 6.940 9.904 528 1HB LYS 64 HB2 LYS 64 7.058 4.856 11.252 529 2HB LYS 64 HB1 LYS 64 7.722 4.010 9.861 530 1HG LYS 64 HG2 LYS 64 9.773 4.669 10.367 531 2HG LYS 64 HG1 LYS 64 9.273 6.361 10.404 532 1HD LYS 64 HD2 LYS 64 8.819 4.458 12.694 533 2HD LYS 64 HD1 LYS 64 10.264 5.461 12.544 534 1HE LYS 64 HE2 LYS 64 8.809 7.464 12.464 535 2HE LYS 64 HE1 LYS 64 7.412 6.422 12.737 536 1HZ LYS 64 HZ1 LYS 64 8.745 7.624 14.691 537 2HZ LYS 64 HZ2 LYS 64 9.590 6.159 14.643 538 3HZ LYS 64 HZ3 LYS 64 7.918 6.163 14.901 539 H MET 65 HN MET 65 7.098 4.275 7.537 540 HA MET 65 HA MET 65 9.420 4.916 6.218 541 1HB MET 65 HB2 MET 65 8.539 3.748 4.290 542 2HB MET 65 HB1 MET 65 8.061 2.908 5.758 543 1HG MET 65 HG2 MET 65 5.897 3.164 5.324 544 2HG MET 65 HG1 MET 65 6.093 4.865 4.908 545 1HE MET 65 HE1 MET 65 4.378 2.147 2.330 546 2HE MET 65 HE2 MET 65 3.936 3.838 2.567 547 3HE MET 65 HE3 MET 65 4.183 2.787 3.962 548 H VAL 66 HN VAL 66 6.350 6.551 6.071 549 HA VAL 66 HA VAL 66 7.181 8.170 3.795 550 HB VAL 66 HB VAL 66 4.956 9.220 3.987 551 1HG1 VAL 66 HG11 VAL 66 5.447 6.378 3.510 552 2HG1 VAL 66 HG12 VAL 66 4.598 7.566 2.521 553 3HG1 VAL 66 HG13 VAL 66 3.760 6.764 3.850 554 1HG2 VAL 66 HG21 VAL 66 4.263 7.192 6.085 555 2HG2 VAL 66 HG22 VAL 66 3.385 8.646 5.610 556 3HG2 VAL 66 HG23 VAL 66 4.887 8.783 6.524 557 H GLU 67 HN GLU 67 6.943 8.356 7.256 558 HA GLU 67 HA GLU 67 7.081 11.213 7.405 559 1HB GLU 67 HB2 GLU 67 6.736 9.018 9.228 560 2HB GLU 67 HB1 GLU 67 7.976 10.104 9.840 561 1HG GLU 67 HG2 GLU 67 5.262 11.031 8.943 562 2HG GLU 67 HG1 GLU 67 5.639 10.579 10.605 563 H ASN 68 HN ASN 68 9.372 8.861 6.659 564 HA ASN 68 HA ASN 68 11.565 10.603 7.572 565 1HB ASN 68 HB2 ASN 68 12.998 8.540 7.348 566 2HB ASN 68 HB1 ASN 68 11.785 8.473 8.624 567 1HD2 ASN 68 HD21 ASN 68 11.609 6.283 8.700 568 2HD2 ASN 68 HD22 ASN 68 10.955 5.332 7.415 569 H ALA 69 HN ALA 69 10.126 8.991 4.837 570 HA ALA 69 HA ALA 69 12.314 9.915 3.110 571 1HB ALA 69 HB1 ALA 69 10.317 8.354 1.738 572 2HB ALA 69 HB2 ALA 69 10.894 7.512 3.175 573 3HB ALA 69 HB3 ALA 69 12.040 8.042 1.945 574 H LYS 70 HN LYS 70 12.026 11.512 1.671 575 HA LYS 70 HA LYS 70 9.495 12.925 1.686 576 1HB LYS 70 HB2 LYS 70 11.949 13.898 1.724 577 2HB LYS 70 HB1 LYS 70 11.797 13.762 -0.023 578 1HG LYS 70 HG2 LYS 70 9.488 15.002 0.518 579 2HG LYS 70 HG1 LYS 70 10.463 15.597 1.862 580 1HD LYS 70 HD2 LYS 70 11.842 15.657 -0.717 581 2HD LYS 70 HD1 LYS 70 10.402 16.673 -0.657 582 1HE LYS 70 HE2 LYS 70 11.610 17.224 1.738 583 2HE LYS 70 HE1 LYS 70 12.991 16.992 0.666 584 1HZ LYS 70 HZ1 LYS 70 10.902 19.045 0.592 585 2HZ LYS 70 HZ2 LYS 70 11.582 18.548 -0.875 586 3HZ LYS 70 HZ3 LYS 70 12.569 19.192 0.338 587 H LYS 71 HN LYS 71 10.467 10.315 0.054 588 HA LYS 71 HA LYS 71 9.087 11.130 -2.418 589 1HB LYS 71 HB2 LYS 71 10.373 9.257 -3.518 590 2HB LYS 71 HB1 LYS 71 11.331 10.652 -3.033 591 1HG LYS 71 HG2 LYS 71 11.385 8.910 -0.844 592 2HG LYS 71 HG1 LYS 71 11.593 7.895 -2.273 593 1HD LYS 71 HD2 LYS 71 13.767 8.474 -1.938 594 2HD LYS 71 HD1 LYS 71 13.274 9.843 -2.936 595 1HE LYS 71 HE2 LYS 71 14.003 11.155 -1.288 596 2HE LYS 71 HE1 LYS 71 12.606 10.613 -0.359 597 1HZ LYS 71 HZ1 LYS 71 14.208 10.006 1.083 598 2HZ LYS 71 HZ2 LYS 71 15.406 9.870 -0.104 599 3HZ LYS 71 HZ3 LYS 71 14.287 8.621 0.113 600 H ILE 72 HN ILE 72 7.075 10.396 -2.249 601 HA ILE 72 HA ILE 72 6.705 7.565 -1.529 602 HB ILE 72 HB ILE 72 4.761 9.778 -0.876 603 1HG1 ILE 72 HG12 ILE 72 6.020 8.326 1.344 604 2HG1 ILE 72 HG11 ILE 72 7.142 9.314 0.414 605 1HG2 ILE 72 HG21 ILE 72 3.473 8.156 0.243 606 2HG2 ILE 72 HG22 ILE 72 4.768 6.960 0.164 607 3HG2 ILE 72 HG23 ILE 72 3.908 7.425 -1.304 608 1HD1 ILE 72 HD11 ILE 72 6.218 11.255 1.107 609 2HD1 ILE 72 HD12 ILE 72 5.771 10.248 2.484 610 3HD1 ILE 72 HD13 ILE 72 4.594 10.576 1.212 611 H GLU 73 HN GLU 73 6.548 6.823 -3.620 612 HA GLU 73 HA GLU 73 4.617 8.110 -5.402 613 1HB GLU 73 HB2 GLU 73 7.078 6.800 -5.816 614 2HB GLU 73 HB1 GLU 73 5.850 5.775 -6.543 615 1HG GLU 73 HG2 GLU 73 5.711 7.114 -8.291 616 2HG GLU 73 HG1 GLU 73 5.331 8.487 -7.252 617 H VAL 74 HN VAL 74 2.901 6.970 -6.376 618 HA VAL 74 HA VAL 74 2.171 4.448 -5.044 619 HB VAL 74 HB VAL 74 0.073 6.445 -5.820 620 1HG1 VAL 74 HG11 VAL 74 -0.265 4.748 -3.461 621 2HG1 VAL 74 HG12 VAL 74 -0.072 3.862 -4.974 622 3HG1 VAL 74 HG13 VAL 74 -1.360 5.055 -4.808 623 1HG2 VAL 74 HG21 VAL 74 1.370 6.315 -3.101 624 2HG2 VAL 74 HG22 VAL 74 0.074 7.395 -3.615 625 3HG2 VAL 74 HG23 VAL 74 1.691 7.571 -4.298 626 H GLU 75 HN GLU 75 2.040 2.884 -6.484 627 HA GLU 75 HA GLU 75 1.557 3.484 -9.287 628 1HB GLU 75 HB2 GLU 75 3.263 1.772 -8.319 629 2HB GLU 75 HB1 GLU 75 1.865 0.718 -8.154 630 1HG GLU 75 HG2 GLU 75 1.605 0.475 -10.410 631 2HG GLU 75 HG1 GLU 75 2.359 2.026 -10.777 632 H PHE 76 HN PHE 76 -0.640 4.184 -7.930 633 HA PHE 76 HA PHE 76 -2.518 1.966 -7.976 634 1HB PHE 76 HB2 PHE 76 -3.491 3.068 -6.301 635 2HB PHE 76 HB1 PHE 76 -2.233 4.283 -6.409 636 HD1 PHE 76 HD1 PHE 76 -5.580 3.918 -6.114 637 HD2 PHE 76 HD2 PHE 76 -2.766 5.944 -8.581 638 HE1 PHE 76 HE1 PHE 76 -7.278 5.607 -6.659 639 HE2 PHE 76 HE2 PHE 76 -4.466 7.634 -9.138 640 HZ PHE 76 HZ PHE 76 -6.727 7.466 -8.176 641 H ASP 77 HN ASP 77 -4.329 1.867 -9.272 642 HA ASP 77 HA ASP 77 -4.098 3.320 -11.784 643 1HB ASP 77 HB2 ASP 77 -4.443 0.800 -11.627 644 2HB ASP 77 HB1 ASP 77 -6.093 1.152 -11.116 645 H LYS 78 HN LYS 78 -6.002 4.239 -12.816 646 HA LYS 78 HA LYS 78 -7.677 5.627 -10.859 647 1HB LYS 78 HB2 LYS 78 -8.269 7.120 -12.729 648 2HB LYS 78 HB1 LYS 78 -6.528 7.029 -12.495 649 1HG LYS 78 HG2 LYS 78 -6.365 5.455 -14.364 650 2HG LYS 78 HG1 LYS 78 -8.110 5.570 -14.604 651 1HD LYS 78 HD2 LYS 78 -7.084 7.027 -16.183 652 2HD LYS 78 HD1 LYS 78 -7.801 8.042 -14.929 653 1HE LYS 78 HE2 LYS 78 -4.979 7.209 -14.564 654 2HE LYS 78 HE1 LYS 78 -5.314 8.397 -15.823 655 1HZ LYS 78 HZ1 LYS 78 -4.886 9.035 -13.281 656 2HZ LYS 78 HZ2 LYS 78 -6.570 8.883 -13.248 657 3HZ LYS 78 HZ3 LYS 78 -5.840 9.969 -14.321 658 H GLY 79 HN GLY 79 -8.070 2.824 -11.549 659 1HA GLY 79 HA2 GLY 79 -10.907 2.952 -12.129 660 2HA GLY 79 HA1 GLY 79 -9.935 2.017 -13.263 661 H GLN 80 HN GLN 80 -9.363 2.394 -9.838 662 HA GLN 80 HA GLN 80 -9.166 -0.440 -9.510 663 1HB GLN 80 HB2 GLN 80 -7.674 0.397 -8.045 664 2HB GLN 80 HB1 GLN 80 -8.475 1.956 -7.980 665 1HG GLN 80 HG2 GLN 80 -8.696 1.289 -5.818 666 2HG GLN 80 HG1 GLN 80 -10.198 0.661 -6.479 667 1HE2 GLN 80 HE21 GLN 80 -8.920 -1.548 -7.876 668 2HE2 GLN 80 HE22 GLN 80 -8.461 -2.687 -6.664 669 H ARG 81 HN ARG 81 -10.626 -1.774 -8.881 670 HA ARG 81 HA ARG 81 -13.345 -1.080 -8.644 671 1HB ARG 81 HB2 ARG 81 -11.743 -3.532 -8.482 672 2HB ARG 81 HB1 ARG 81 -13.203 -3.573 -7.504 673 1HG ARG 81 HG2 ARG 81 -14.592 -3.249 -9.375 674 2HG ARG 81 HG1 ARG 81 -13.233 -2.779 -10.397 675 1HD ARG 81 HD2 ARG 81 -12.550 -4.929 -10.719 676 2HD ARG 81 HD1 ARG 81 -13.147 -5.468 -9.150 677 HE ARG 81 HE ARG 81 -14.566 -5.486 -11.639 678 1HH1 ARG 81 HH11 ARG 81 -14.927 -5.313 -8.172 679 2HH1 ARG 81 HH12 ARG 81 -16.538 -5.945 -8.182 680 1HH2 ARG 81 HH21 ARG 81 -16.687 -6.317 -11.655 681 2HH2 ARG 81 HH22 ARG 81 -17.538 -6.515 -10.160 682 H THR 82 HN THR 82 -12.762 0.643 -6.963 683 HA THR 82 HA THR 82 -12.926 -0.460 -4.244 684 HB THR 82 HB THR 82 -10.999 1.041 -4.754 685 HG1 THR 82 HG1 THR 82 -11.310 2.319 -2.894 686 1HG2 THR 82 HG21 THR 82 -12.214 3.548 -4.513 687 2HG2 THR 82 HG22 THR 82 -13.045 2.718 -5.828 688 3HG2 THR 82 HG23 THR 82 -11.295 2.914 -5.878 689 H ASP 83 HN ASP 83 -14.169 1.099 -2.723 690 HA ASP 83 HA ASP 83 -16.685 1.857 -4.059 691 1HB ASP 83 HB2 ASP 83 -16.063 0.568 -1.471 692 2HB ASP 83 HB1 ASP 83 -17.329 1.790 -1.416 693 H LYS 84 HN LYS 84 -15.666 3.908 -4.640 694 HA LYS 84 HA LYS 84 -15.401 6.157 -4.390 695 1HB LYS 84 HB2 LYS 84 -16.945 5.535 -1.882 696 2HB LYS 84 HB1 LYS 84 -16.344 7.157 -2.195 697 1HG LYS 84 HG2 LYS 84 -18.545 7.171 -2.968 698 2HG LYS 84 HG1 LYS 84 -17.561 7.005 -4.423 699 1HD LYS 84 HD2 LYS 84 -19.463 5.488 -4.498 700 2HD LYS 84 HD1 LYS 84 -17.951 4.582 -4.400 701 1HE LYS 84 HE2 LYS 84 -18.435 3.747 -2.362 702 2HE LYS 84 HE1 LYS 84 -19.190 5.244 -1.815 703 1HZ LYS 84 HZ1 LYS 84 -21.216 4.635 -2.653 704 2HZ LYS 84 HZ2 LYS 84 -20.613 3.121 -2.198 705 3HZ LYS 84 HZ3 LYS 84 -20.566 3.597 -3.821 706 H TYR 85 HN TYR 85 -15.033 5.065 -1.041 707 HA TYR 85 HA TYR 85 -12.161 5.480 -1.155 708 1HB TYR 85 HB2 TYR 85 -13.332 6.647 1.278 709 2HB TYR 85 HB1 TYR 85 -12.021 7.246 0.263 710 HD1 TYR 85 HD1 TYR 85 -15.544 7.485 1.059 711 HD2 TYR 85 HD2 TYR 85 -12.566 8.583 -1.775 712 HE1 TYR 85 HE1 TYR 85 -17.044 9.215 0.160 713 HE2 TYR 85 HE2 TYR 85 -14.059 10.315 -2.679 714 HH TYR 85 HH TYR 85 -16.956 11.257 -1.099 715 H GLY 86 HN GLY 86 -14.391 3.393 -0.738 716 1HA GLY 86 HA2 GLY 86 -14.313 2.414 1.873 717 2HA GLY 86 HA1 GLY 86 -14.654 1.456 0.441 718 H ARG 87 HN ARG 87 -11.968 2.294 -0.648 719 HA ARG 87 HA ARG 87 -9.741 1.770 0.648 720 1HB ARG 87 HB2 ARG 87 -11.320 -0.744 0.587 721 2HB ARG 87 HB1 ARG 87 -9.611 -0.888 0.216 722 1HG ARG 87 HG2 ARG 87 -10.931 -0.531 2.771 723 2HG ARG 87 HG1 ARG 87 -9.305 -1.085 2.410 724 1HD ARG 87 HD2 ARG 87 -9.009 0.853 3.694 725 2HD ARG 87 HD1 ARG 87 -8.717 1.366 2.038 726 HE ARG 87 HE ARG 87 -10.706 2.598 2.079 727 1HH1 ARG 87 HH11 ARG 87 -10.284 0.802 5.052 728 2HH1 ARG 87 HH12 ARG 87 -11.483 1.707 5.909 729 1HH2 ARG 87 HH21 ARG 87 -12.280 3.780 3.213 730 2HH2 ARG 87 HH22 ARG 87 -12.616 3.396 4.868 731 H TRP 88 HN TRP 88 -8.541 2.513 -0.921 732 HA TRP 88 HA TRP 88 -8.879 1.532 -3.661 733 1HB TRP 88 HB2 TRP 88 -7.507 3.915 -2.441 734 2HB TRP 88 HB1 TRP 88 -7.119 3.402 -4.076 735 HD1 TRP 88 HD1 TRP 88 -9.900 5.015 -2.017 736 HE1 TRP 88 HE1 TRP 88 -11.582 6.109 -3.626 737 HE3 TRP 88 HE3 TRP 88 -8.081 3.220 -6.455 738 HZ2 TRP 88 HZ2 TRP 88 -12.077 6.201 -6.402 739 HZ3 TRP 88 HZ3 TRP 88 -9.222 3.859 -8.536 740 HH2 TRP 88 HH2 TRP 88 -11.177 5.320 -8.510 741 H LEU 89 HN LEU 89 -7.167 0.613 -4.834 742 HA LEU 89 HA LEU 89 -5.158 -0.704 -3.218 743 1HB LEU 89 HB2 LEU 89 -4.810 -2.066 -5.015 744 2HB LEU 89 HB1 LEU 89 -6.397 -1.473 -5.451 745 HG LEU 89 HG LEU 89 -5.165 -1.390 -7.439 746 1HD1 LEU 89 HD11 LEU 89 -5.699 0.686 -8.031 747 2HD1 LEU 89 HD12 LEU 89 -4.516 1.392 -6.931 748 3HD1 LEU 89 HD13 LEU 89 -6.118 0.957 -6.342 749 1HD2 LEU 89 HD21 LEU 89 -2.914 0.238 -6.458 750 2HD2 LEU 89 HD22 LEU 89 -2.945 -1.070 -7.642 751 3HD2 LEU 89 HD23 LEU 89 -2.951 -1.440 -5.918 752 H ALA 90 HN ALA 90 -2.781 -0.476 -3.716 753 HA ALA 90 HA ALA 90 -1.745 1.616 -5.265 754 1HB ALA 90 HB1 ALA 90 -2.452 3.368 -4.044 755 2HB ALA 90 HB2 ALA 90 -1.072 2.960 -3.025 756 3HB ALA 90 HB3 ALA 90 -2.686 2.398 -2.590 757 H TYR 91 HN TYR 91 0.491 1.714 -5.249 758 HA TYR 91 HA TYR 91 1.808 -0.301 -3.556 759 1HB TYR 91 HB2 TYR 91 2.518 0.779 -6.285 760 2HB TYR 91 HB1 TYR 91 3.617 -0.213 -5.331 761 HD1 TYR 91 HD1 TYR 91 3.669 -2.453 -5.856 762 HD2 TYR 91 HD2 TYR 91 0.042 -0.307 -6.435 763 HE1 TYR 91 HE1 TYR 91 2.616 -4.487 -6.754 764 HE2 TYR 91 HE2 TYR 91 -1.022 -2.333 -7.333 765 HH TYR 91 HH TYR 91 -0.768 -4.719 -7.294 766 H ILE 92 HN ILE 92 1.406 1.918 -2.208 767 HA ILE 92 HA ILE 92 3.175 4.053 -2.471 768 HB ILE 92 HB ILE 92 2.315 3.012 0.214 769 1HG1 ILE 92 HG12 ILE 92 0.388 4.860 -0.636 770 2HG1 ILE 92 HG11 ILE 92 0.609 3.776 -2.004 771 1HG2 ILE 92 HG21 ILE 92 1.987 5.655 0.333 772 2HG2 ILE 92 HG22 ILE 92 3.226 5.588 -0.920 773 3HG2 ILE 92 HG23 ILE 92 3.531 4.870 0.662 774 1HD1 ILE 92 HD11 ILE 92 0.430 2.274 0.435 775 2HD1 ILE 92 HD12 ILE 92 -0.577 2.196 -1.011 776 3HD1 ILE 92 HD13 ILE 92 -0.954 3.355 0.264 777 H TYR 93 HN TYR 93 5.271 4.380 -1.996 778 HA TYR 93 HA TYR 93 6.665 2.593 -0.191 779 1HB TYR 93 HB2 TYR 93 8.513 2.245 -1.882 780 2HB TYR 93 HB1 TYR 93 7.038 1.330 -2.154 781 HD1 TYR 93 HD1 TYR 93 6.291 1.205 -4.313 782 HD2 TYR 93 HD2 TYR 93 8.515 4.627 -3.115 783 HE1 TYR 93 HE1 TYR 93 6.198 2.063 -6.616 784 HE2 TYR 93 HE2 TYR 93 8.430 5.495 -5.413 785 HH TYR 93 HH TYR 93 7.992 3.956 -7.948 786 H ALA 94 HN ALA 94 8.702 3.367 0.498 787 HA ALA 94 HA ALA 94 9.166 6.214 -0.105 788 1HB ALA 94 HB1 ALA 94 8.372 5.202 2.313 789 2HB ALA 94 HB2 ALA 94 9.192 6.744 2.070 790 3HB ALA 94 HB3 ALA 94 10.122 5.307 2.502 791 H ASP 95 HN ASP 95 11.166 6.772 -0.718 792 HA ASP 95 HA ASP 95 13.380 6.658 -1.229 793 1HB ASP 95 HB2 ASP 95 13.511 5.997 1.244 794 2HB ASP 95 HB1 ASP 95 13.643 4.335 0.676 795 H GLY 96 HN GLY 96 11.302 4.981 -2.550 796 1HA GLY 96 HA2 GLY 96 11.350 3.619 -4.413 797 2HA GLY 96 HA1 GLY 96 13.092 3.491 -4.226 798 H LYS 97 HN LYS 97 11.164 2.708 -1.479 799 HA LYS 97 HA LYS 97 11.279 -0.151 -2.118 800 1HB LYS 97 HB2 LYS 97 12.058 -0.563 0.254 801 2HB LYS 97 HB1 LYS 97 13.253 0.128 -0.834 802 1HG LYS 97 HG2 LYS 97 12.914 2.320 0.116 803 2HG LYS 97 HG1 LYS 97 11.617 1.704 1.141 804 1HD LYS 97 HD2 LYS 97 13.437 1.738 2.581 805 2HD LYS 97 HD1 LYS 97 13.414 0.064 2.022 806 1HE LYS 97 HE2 LYS 97 15.067 0.774 0.245 807 2HE LYS 97 HE1 LYS 97 15.220 2.296 1.122 808 1HZ LYS 97 HZ1 LYS 97 15.527 -0.121 2.704 809 2HZ LYS 97 HZ2 LYS 97 16.390 1.333 2.767 810 3HZ LYS 97 HZ3 LYS 97 16.758 0.183 1.581 811 H MET 98 HN MET 98 9.265 -0.869 -1.982 812 HA MET 98 HA MET 98 7.259 0.482 -0.449 813 1HB MET 98 HB2 MET 98 5.819 -1.477 -1.187 814 2HB MET 98 HB1 MET 98 6.498 -0.484 -2.468 815 1HG MET 98 HG2 MET 98 8.190 -2.130 -2.919 816 2HG MET 98 HG1 MET 98 7.665 -3.096 -1.541 817 1HE MET 98 HE1 MET 98 6.939 -1.653 -4.920 818 2HE MET 98 HE2 MET 98 5.266 -1.371 -4.441 819 3HE MET 98 HE3 MET 98 5.646 -2.639 -5.607 820 H VAL 99 HN VAL 99 6.065 -0.337 1.304 821 HA VAL 99 HA VAL 99 7.476 -1.404 3.407 822 HB VAL 99 HB VAL 99 5.256 -2.023 4.400 823 1HG1 VAL 99 HG11 VAL 99 6.041 0.642 3.412 824 2HG1 VAL 99 HG12 VAL 99 5.715 0.087 5.055 825 3HG1 VAL 99 HG13 VAL 99 4.377 0.484 3.976 826 1HG2 VAL 99 HG21 VAL 99 3.266 -1.140 3.072 827 2HG2 VAL 99 HG22 VAL 99 3.957 -2.677 2.553 828 3HG2 VAL 99 HG23 VAL 99 4.325 -1.200 1.664 829 H ASN 100 HN ASN 100 5.812 -3.081 0.833 830 HA ASN 100 HA ASN 100 5.932 -5.664 2.065 831 1HB ASN 100 HB2 ASN 100 4.302 -4.863 0.240 832 2HB ASN 100 HB1 ASN 100 5.620 -5.167 -0.888 833 1HD2 ASN 100 HD21 ASN 100 5.832 -7.144 -1.670 834 2HD2 ASN 100 HD22 ASN 100 5.053 -8.559 -1.058 835 H GLU 101 HN GLU 101 8.093 -3.723 0.216 836 HA GLU 101 HA GLU 101 9.790 -5.989 -0.478 837 1HB GLU 101 HB2 GLU 101 9.607 -3.139 -1.305 838 2HB GLU 101 HB1 GLU 101 11.202 -3.883 -1.347 839 1HG GLU 101 HG2 GLU 101 8.741 -4.870 -2.771 840 2HG GLU 101 HG1 GLU 101 10.112 -4.039 -3.504 841 H ALA 102 HN ALA 102 9.405 -3.811 2.071 842 HA ALA 102 HA ALA 102 12.218 -3.766 2.810 843 1HB ALA 102 HB1 ALA 102 11.534 -2.299 4.616 844 2HB ALA 102 HB2 ALA 102 9.837 -2.599 4.244 845 3HB ALA 102 HB3 ALA 102 10.854 -1.742 3.086 846 H LEU 103 HN LEU 103 9.165 -4.784 4.377 847 HA LEU 103 HA LEU 103 10.752 -6.579 6.078 848 1HB LEU 103 HB2 LEU 103 8.128 -5.195 6.440 849 2HB LEU 103 HB1 LEU 103 8.456 -6.665 7.335 850 HG LEU 103 HG LEU 103 8.997 -4.831 8.753 851 1HD1 LEU 103 HD11 LEU 103 10.726 -6.830 8.236 852 2HD1 LEU 103 HD12 LEU 103 10.972 -5.614 9.489 853 3HD1 LEU 103 HD13 LEU 103 11.754 -5.433 7.919 854 1HD2 LEU 103 HD21 LEU 103 9.958 -3.644 6.289 855 2HD2 LEU 103 HD22 LEU 103 11.118 -3.469 7.604 856 3HD2 LEU 103 HD23 LEU 103 9.469 -2.876 7.798 857 H VAL 104 HN VAL 104 7.673 -6.519 4.275 858 HA VAL 104 HA VAL 104 7.028 -9.210 4.567 859 HB VAL 104 HB VAL 104 6.426 -7.533 2.132 860 1HG1 VAL 104 HG11 VAL 104 4.280 -9.108 2.475 861 2HG1 VAL 104 HG12 VAL 104 5.537 -10.170 3.111 862 3HG1 VAL 104 HG13 VAL 104 5.657 -9.550 1.464 863 1HG2 VAL 104 HG21 VAL 104 5.754 -6.364 4.169 864 2HG2 VAL 104 HG22 VAL 104 4.875 -7.795 4.705 865 3HG2 VAL 104 HG23 VAL 104 4.346 -6.924 3.267 866 H ARG 105 HN ARG 105 9.478 -7.752 2.657 867 HA ARG 105 HA ARG 105 10.000 -9.116 0.477 868 1HB ARG 105 HB2 ARG 105 12.466 -9.443 1.580 869 2HB ARG 105 HB1 ARG 105 11.872 -7.943 0.891 870 1HG ARG 105 HG2 ARG 105 12.287 -6.970 2.836 871 2HG ARG 105 HG1 ARG 105 10.990 -7.924 3.543 872 1HD ARG 105 HD2 ARG 105 12.460 -8.967 4.819 873 2HD ARG 105 HD1 ARG 105 13.254 -9.598 3.377 874 HE ARG 105 HE ARG 105 14.144 -7.426 5.043 875 1HH1 ARG 105 HH11 ARG 105 14.347 -8.885 1.878 876 2HH1 ARG 105 HH12 ARG 105 15.885 -8.180 1.515 877 1HH2 ARG 105 HH21 ARG 105 16.166 -6.497 4.565 878 2HH2 ARG 105 HH22 ARG 105 16.918 -6.824 3.040 879 H GLN 106 HN GLN 106 10.551 -10.603 3.676 880 HA GLN 106 HA GLN 106 10.543 -13.218 2.318 881 1HB GLN 106 HB2 GLN 106 11.925 -13.986 4.335 882 2HB GLN 106 HB1 GLN 106 12.732 -13.017 3.111 883 1HG GLN 106 HG2 GLN 106 13.360 -12.335 5.360 884 2HG GLN 106 HG1 GLN 106 12.523 -11.045 4.500 885 1HE2 GLN 106 HE21 GLN 106 10.951 -10.060 5.533 886 2HE2 GLN 106 HE22 GLN 106 10.102 -10.662 6.908 887 H GLY 107 HN GLY 107 8.727 -11.288 4.249 888 1HA GLY 107 HA2 GLY 107 6.587 -12.427 4.887 889 2HA GLY 107 HA1 GLY 107 7.604 -13.590 5.721 890 H LEU 108 HN LEU 108 8.397 -10.202 5.755 891 HA LEU 108 HA LEU 108 8.493 -8.659 7.415 892 1HB LEU 108 HB2 LEU 108 6.125 -10.143 8.550 893 2HB LEU 108 HB1 LEU 108 6.622 -8.510 8.958 894 HG LEU 108 HG LEU 108 5.973 -9.177 6.124 895 1HD1 LEU 108 HD11 LEU 108 3.659 -8.075 7.234 896 2HD1 LEU 108 HD12 LEU 108 4.125 -9.385 8.319 897 3HD1 LEU 108 HD13 LEU 108 3.872 -9.708 6.604 898 1HD2 LEU 108 HD21 LEU 108 5.085 -6.755 6.378 899 2HD2 LEU 108 HD22 LEU 108 6.825 -7.035 6.292 900 3HD2 LEU 108 HD23 LEU 108 6.055 -6.738 7.851 901 H ALA 109 HN ALA 109 9.994 -8.554 8.908 902 HA ALA 109 HA ALA 109 10.848 -10.887 10.338 903 1HB ALA 109 HB1 ALA 109 12.779 -9.788 10.492 904 2HB ALA 109 HB2 ALA 109 12.012 -8.401 11.264 905 3HB ALA 109 HB3 ALA 109 12.039 -8.529 9.505 906 H LYS 110 HN LYS 110 10.246 -11.528 12.300 907 HA LYS 110 HA LYS 110 8.940 -9.576 14.078 908 1HB LYS 110 HB2 LYS 110 7.962 -12.132 13.059 909 2HB LYS 110 HB1 LYS 110 7.903 -12.035 14.814 910 1HG LYS 110 HG2 LYS 110 6.720 -9.977 12.963 911 2HG LYS 110 HG1 LYS 110 5.818 -11.312 13.686 912 1HD LYS 110 HD2 LYS 110 5.393 -9.866 15.347 913 2HD LYS 110 HD1 LYS 110 7.044 -10.212 15.866 914 1HE LYS 110 HE2 LYS 110 7.411 -8.280 13.956 915 2HE LYS 110 HE1 LYS 110 5.903 -7.778 14.719 916 1HZ LYS 110 HZ1 LYS 110 6.959 -7.704 16.829 917 2HZ LYS 110 HZ2 LYS 110 7.954 -6.859 15.753 918 3HZ LYS 110 HZ3 LYS 110 8.369 -8.426 16.234 Start of MODEL 4 1 1H ALA 1 HT1 ALA 1 1.448 -15.066 -19.994 2 2H ALA 1 HT2 ALA 1 2.011 -15.333 -21.595 3 3H ALA 1 HT3 ALA 1 0.585 -16.114 -21.042 4 HA ALA 1 HA ALA 1 0.327 -14.146 -22.537 5 1HB ALA 1 HB1 ALA 1 -1.469 -13.233 -20.784 6 2HB ALA 1 HB2 ALA 1 -1.063 -14.758 -19.999 7 3HB ALA 1 HB3 ALA 1 -1.669 -14.754 -21.654 8 H THR 2 HN THR 2 0.494 -11.954 -22.778 9 HA THR 2 HA THR 2 1.812 -10.478 -20.595 10 HB THR 2 HB THR 2 2.932 -9.149 -22.451 11 HG1 THR 2 HG1 THR 2 1.575 -9.947 -24.139 12 1HG2 THR 2 HG21 THR 2 3.610 -11.842 -21.561 13 2HG2 THR 2 HG22 THR 2 4.604 -10.388 -21.659 14 3HG2 THR 2 HG23 THR 2 4.350 -11.381 -23.095 15 H SER 3 HN SER 3 0.086 -9.363 -19.820 16 HA SER 3 HA SER 3 -1.637 -7.927 -21.695 17 1HB SER 3 HB2 SER 3 -1.873 -8.213 -18.688 18 2HB SER 3 HB1 SER 3 -3.081 -7.510 -19.765 19 HG SER 3 HG SER 3 -2.138 -10.176 -19.975 20 H THR 4 HN THR 4 -1.197 -5.896 -22.211 21 HA THR 4 HA THR 4 0.764 -4.381 -20.749 22 HB THR 4 HB THR 4 0.079 -2.588 -22.483 23 HG1 THR 4 HG1 THR 4 -1.923 -3.637 -23.006 24 1HG2 THR 4 HG21 THR 4 1.408 -5.177 -23.096 25 2HG2 THR 4 HG22 THR 4 2.084 -3.550 -23.018 26 3HG2 THR 4 HG23 THR 4 1.095 -4.029 -24.397 27 H LYS 5 HN LYS 5 0.128 -3.608 -18.823 28 HA LYS 5 HA LYS 5 -2.542 -2.482 -18.507 29 1HB LYS 5 HB2 LYS 5 -0.311 -3.077 -16.565 30 2HB LYS 5 HB1 LYS 5 -1.764 -2.205 -16.096 31 1HG LYS 5 HG2 LYS 5 -2.556 -4.226 -15.575 32 2HG LYS 5 HG1 LYS 5 -2.823 -4.393 -17.311 33 1HD LYS 5 HD2 LYS 5 -1.453 -6.145 -17.313 34 2HD LYS 5 HD1 LYS 5 -0.129 -5.073 -16.851 35 1HE LYS 5 HE2 LYS 5 -0.240 -5.661 -14.647 36 2HE LYS 5 HE1 LYS 5 -1.967 -6.007 -14.714 37 1HZ LYS 5 HZ1 LYS 5 0.293 -7.748 -15.242 38 2HZ LYS 5 HZ2 LYS 5 -1.010 -7.914 -16.308 39 3HZ LYS 5 HZ3 LYS 5 -1.246 -8.120 -14.645 40 H LYS 6 HN LYS 6 -2.964 -0.374 -18.601 41 HA LYS 6 HA LYS 6 -0.695 1.490 -18.679 42 1HB LYS 6 HB2 LYS 6 -2.728 1.173 -20.473 43 2HB LYS 6 HB1 LYS 6 -3.347 2.485 -19.480 44 1HG LYS 6 HG2 LYS 6 -0.547 2.688 -20.431 45 2HG LYS 6 HG1 LYS 6 -1.839 2.910 -21.613 46 1HD LYS 6 HD2 LYS 6 -2.596 4.394 -19.354 47 2HD LYS 6 HD1 LYS 6 -0.879 4.722 -19.595 48 1HE LYS 6 HE2 LYS 6 -1.605 6.259 -21.062 49 2HE LYS 6 HE1 LYS 6 -1.811 4.880 -22.141 50 1HZ LYS 6 HZ1 LYS 6 -4.045 4.957 -21.962 51 2HZ LYS 6 HZ2 LYS 6 -3.756 6.582 -21.595 52 3HZ LYS 6 HZ3 LYS 6 -4.029 5.470 -20.350 53 H LEU 7 HN LEU 7 -0.320 2.372 -16.753 54 HA LEU 7 HA LEU 7 -2.628 3.334 -15.192 55 1HB LEU 7 HB2 LEU 7 -0.898 3.154 -13.242 56 2HB LEU 7 HB1 LEU 7 -1.794 1.744 -13.769 57 HG LEU 7 HG LEU 7 0.761 2.094 -15.162 58 1HD1 LEU 7 HD11 LEU 7 1.917 2.694 -13.331 59 2HD1 LEU 7 HD12 LEU 7 1.752 0.989 -12.906 60 3HD1 LEU 7 HD13 LEU 7 0.642 2.180 -12.227 61 1HD2 LEU 7 HD21 LEU 7 -0.917 -0.053 -14.015 62 2HD2 LEU 7 HD22 LEU 7 0.819 -0.356 -14.091 63 3HD2 LEU 7 HD23 LEU 7 -0.075 0.029 -15.562 64 H HIS 8 HN HIS 8 -2.264 5.266 -13.920 65 HA HIS 8 HA HIS 8 -0.477 7.116 -15.314 66 1HB HIS 8 HB2 HIS 8 -2.641 7.758 -13.304 67 2HB HIS 8 HB1 HIS 8 -1.813 8.890 -14.368 68 HD1 HIS 8 HD1 HIS 8 -4.148 5.904 -14.617 69 HD2 HIS 8 HD2 HIS 8 -3.076 9.314 -16.736 70 HE1 HIS 8 HE1 HIS 8 -5.733 6.009 -16.566 71 HE2 HIS 8 HE2 HIS 8 -5.128 8.134 -17.780 72 H LYS 9 HN LYS 9 -1.230 5.948 -12.063 73 HA LYS 9 HA LYS 9 -0.040 5.952 -10.125 74 1HB LYS 9 HB2 LYS 9 2.292 6.638 -11.925 75 2HB LYS 9 HB1 LYS 9 2.413 6.098 -10.256 76 1HG LYS 9 HG2 LYS 9 1.169 4.005 -11.027 77 2HG LYS 9 HG1 LYS 9 1.546 4.543 -12.665 78 1HD LYS 9 HD2 LYS 9 3.215 2.954 -11.852 79 2HD LYS 9 HD1 LYS 9 3.929 4.545 -12.122 80 1HE LYS 9 HE2 LYS 9 4.487 4.772 -9.970 81 2HE LYS 9 HE1 LYS 9 2.909 4.213 -9.417 82 1HZ LYS 9 HZ1 LYS 9 5.345 2.663 -9.953 83 2HZ LYS 9 HZ2 LYS 9 3.841 1.911 -10.139 84 3HZ LYS 9 HZ3 LYS 9 4.278 2.569 -8.643 85 H GLU 10 HN GLU 10 0.039 7.413 -8.532 86 HA GLU 10 HA GLU 10 0.833 10.161 -9.171 87 1HB GLU 10 HB2 GLU 10 -1.597 9.494 -7.508 88 2HB GLU 10 HB1 GLU 10 -1.056 11.092 -8.004 89 1HG GLU 10 HG2 GLU 10 -1.732 9.055 -10.072 90 2HG GLU 10 HG1 GLU 10 -3.018 9.927 -9.242 91 HA PRO 11 HA PRO 11 2.988 9.710 -5.321 92 1HB PRO 11 HB2 PRO 11 3.540 12.491 -5.127 93 2HB PRO 11 HB1 PRO 11 4.572 11.238 -5.815 94 1HG PRO 11 HG2 PRO 11 3.365 13.308 -7.236 95 2HG PRO 11 HG1 PRO 11 4.047 11.833 -7.936 96 1HD PRO 11 HD2 PRO 11 1.206 12.520 -7.354 97 2HD PRO 11 HD1 PRO 11 1.891 11.552 -8.677 98 H ALA 12 HN ALA 12 1.614 9.250 -3.664 99 HA ALA 12 HA ALA 12 0.208 11.522 -2.420 100 1HB ALA 12 HB1 ALA 12 -0.568 8.645 -2.705 101 2HB ALA 12 HB2 ALA 12 -1.501 10.095 -3.072 102 3HB ALA 12 HB3 ALA 12 -1.223 9.627 -1.394 103 H THR 13 HN THR 13 0.604 11.961 -0.316 104 HA THR 13 HA THR 13 2.806 10.548 0.930 105 HB THR 13 HB THR 13 1.270 12.923 1.988 106 HG1 THR 13 HG1 THR 13 2.957 14.143 1.028 107 1HG2 THR 13 HG21 THR 13 3.718 13.342 2.864 108 2HG2 THR 13 HG22 THR 13 3.793 11.582 2.770 109 3HG2 THR 13 HG23 THR 13 2.563 12.361 3.766 110 H LEU 14 HN LEU 14 2.353 8.743 1.998 111 HA LEU 14 HA LEU 14 -0.174 8.230 3.233 112 1HB LEU 14 HB2 LEU 14 1.245 6.451 2.267 113 2HB LEU 14 HB1 LEU 14 2.451 6.762 3.501 114 HG LEU 14 HG LEU 14 -0.299 6.064 4.397 115 1HD1 LEU 14 HD11 LEU 14 0.277 3.657 4.247 116 2HD1 LEU 14 HD12 LEU 14 1.667 4.090 3.252 117 3HD1 LEU 14 HD13 LEU 14 0.034 4.424 2.676 118 1HD2 LEU 14 HD21 LEU 14 2.422 6.117 5.447 119 2HD2 LEU 14 HD22 LEU 14 1.538 4.645 5.847 120 3HD2 LEU 14 HD23 LEU 14 0.875 6.218 6.290 121 H ILE 15 HN ILE 15 -0.781 9.186 5.062 122 HA ILE 15 HA ILE 15 1.095 10.393 6.844 123 HB ILE 15 HB ILE 15 -0.825 11.000 8.212 124 1HG1 ILE 15 HG12 ILE 15 -3.124 10.331 7.125 125 2HG1 ILE 15 HG11 ILE 15 -2.199 8.979 6.482 126 1HG2 ILE 15 HG21 ILE 15 -0.362 12.430 6.356 127 2HG2 ILE 15 HG22 ILE 15 -2.113 12.251 6.480 128 3HG2 ILE 15 HG23 ILE 15 -1.220 11.357 5.248 129 1HD1 ILE 15 HD11 ILE 15 -3.334 9.311 9.073 130 2HD1 ILE 15 HD12 ILE 15 -1.583 9.146 9.221 131 3HD1 ILE 15 HD13 ILE 15 -2.518 7.905 8.386 132 H LYS 16 HN LYS 16 -0.992 7.515 7.043 133 HA LYS 16 HA LYS 16 0.795 6.182 8.787 134 1HB LYS 16 HB2 LYS 16 -0.181 7.931 10.319 135 2HB LYS 16 HB1 LYS 16 -1.729 7.115 10.136 136 1HG LYS 16 HG2 LYS 16 -0.510 5.016 10.938 137 2HG LYS 16 HG1 LYS 16 0.770 6.118 11.451 138 1HD LYS 16 HD2 LYS 16 -0.642 7.213 12.983 139 2HD LYS 16 HD1 LYS 16 -2.096 6.517 12.263 140 1HE LYS 16 HE2 LYS 16 -1.710 5.350 14.293 141 2HE LYS 16 HE1 LYS 16 -1.248 4.264 12.985 142 1HZ LYS 16 HZ1 LYS 16 0.874 5.939 14.044 143 2HZ LYS 16 HZ2 LYS 16 0.903 4.309 13.591 144 3HZ LYS 16 HZ3 LYS 16 0.284 4.755 15.100 145 H ALA 17 HN ALA 17 0.175 4.066 9.298 146 HA ALA 17 HA ALA 17 -1.895 3.008 7.538 147 1HB ALA 17 HB1 ALA 17 -0.372 1.409 7.285 148 2HB ALA 17 HB2 ALA 17 -0.730 0.885 8.929 149 3HB ALA 17 HB3 ALA 17 0.583 2.027 8.633 150 H ILE 18 HN ILE 18 -3.625 1.708 8.252 151 HA ILE 18 HA ILE 18 -4.378 2.207 11.046 152 HB ILE 18 HB ILE 18 -6.214 1.269 8.847 153 1HG1 ILE 18 HG12 ILE 18 -5.846 4.113 9.803 154 2HG1 ILE 18 HG11 ILE 18 -5.099 3.478 8.341 155 1HG2 ILE 18 HG21 ILE 18 -6.625 1.229 11.499 156 2HG2 ILE 18 HG22 ILE 18 -7.910 1.486 10.319 157 3HG2 ILE 18 HG23 ILE 18 -7.171 2.866 11.133 158 1HD1 ILE 18 HD11 ILE 18 -6.939 3.893 7.194 159 2HD1 ILE 18 HD12 ILE 18 -7.652 4.605 8.641 160 3HD1 ILE 18 HD13 ILE 18 -7.888 2.893 8.293 161 H ASP 19 HN ASP 19 -5.295 -0.379 8.760 162 HA ASP 19 HA ASP 19 -4.642 -2.318 10.881 163 1HB ASP 19 HB2 ASP 19 -7.122 -1.834 9.756 164 2HB ASP 19 HB1 ASP 19 -6.556 -3.254 8.883 165 H GLY 20 HN GLY 20 -2.937 -1.320 8.655 166 1HA GLY 20 HA2 GLY 20 -1.195 -2.466 7.579 167 2HA GLY 20 HA1 GLY 20 -2.131 -3.950 7.690 168 H ASP 21 HN ASP 21 -4.506 -3.153 6.487 169 HA ASP 21 HA ASP 21 -3.618 -2.917 3.710 170 1HB ASP 21 HB2 ASP 21 -5.594 -4.480 5.019 171 2HB ASP 21 HB1 ASP 21 -6.440 -3.382 3.934 172 H THR 22 HN THR 22 -6.196 -1.640 5.815 173 HA THR 22 HA THR 22 -6.787 0.504 3.987 174 HB THR 22 HB THR 22 -7.698 0.029 6.834 175 HG1 THR 22 HG1 THR 22 -8.389 -1.558 5.335 176 1HG2 THR 22 HG21 THR 22 -9.436 1.597 6.484 177 2HG2 THR 22 HG22 THR 22 -8.990 1.810 4.791 178 3HG2 THR 22 HG23 THR 22 -7.922 2.398 6.064 179 H VAL 23 HN VAL 23 -5.293 2.051 3.746 180 HA VAL 23 HA VAL 23 -4.219 3.304 6.184 181 HB VAL 23 HB VAL 23 -2.081 3.684 5.034 182 1HG1 VAL 23 HG11 VAL 23 -2.690 1.572 6.414 183 2HG1 VAL 23 HG12 VAL 23 -1.188 1.598 5.489 184 3HG1 VAL 23 HG13 VAL 23 -2.596 0.743 4.860 185 1HG2 VAL 23 HG21 VAL 23 -1.668 3.174 2.877 186 2HG2 VAL 23 HG22 VAL 23 -3.425 3.223 2.725 187 3HG2 VAL 23 HG23 VAL 23 -2.602 1.679 2.945 188 H LYS 24 HN LYS 24 -3.569 5.532 5.935 189 HA LYS 24 HA LYS 24 -5.303 6.932 4.058 190 1HB LYS 24 HB2 LYS 24 -5.460 7.697 6.323 191 2HB LYS 24 HB1 LYS 24 -3.716 7.862 6.451 192 1HG LYS 24 HG2 LYS 24 -3.676 9.828 5.273 193 2HG LYS 24 HG1 LYS 24 -5.153 9.450 4.386 194 1HD LYS 24 HD2 LYS 24 -6.526 10.097 6.136 195 2HD LYS 24 HD1 LYS 24 -5.258 9.882 7.343 196 1HE LYS 24 HE2 LYS 24 -4.065 11.820 6.213 197 2HE LYS 24 HE1 LYS 24 -5.573 12.108 5.346 198 1HZ LYS 24 HZ1 LYS 24 -4.994 13.224 7.682 199 2HZ LYS 24 HZ2 LYS 24 -5.793 11.838 8.231 200 3HZ LYS 24 HZ3 LYS 24 -6.577 12.906 7.180 201 H LEU 25 HN LEU 25 -4.591 8.358 2.531 202 HA LEU 25 HA LEU 25 -1.709 8.700 2.132 203 1HB LEU 25 HB2 LEU 25 -3.606 7.269 0.376 204 2HB LEU 25 HB1 LEU 25 -2.522 8.379 -0.429 205 HG LEU 25 HG LEU 25 -1.179 6.553 1.436 206 1HD1 LEU 25 HD11 LEU 25 -3.049 5.155 0.487 207 2HD1 LEU 25 HD12 LEU 25 -1.419 4.571 0.152 208 3HD1 LEU 25 HD13 LEU 25 -2.329 5.415 -1.103 209 1HD2 LEU 25 HD21 LEU 25 -0.192 8.157 -0.310 210 2HD2 LEU 25 HD22 LEU 25 -0.676 6.943 -1.497 211 3HD2 LEU 25 HD23 LEU 25 0.471 6.526 -0.223 212 H MET 26 HN MET 26 -1.371 10.858 1.951 213 HA MET 26 HA MET 26 -3.504 12.680 1.301 214 1HB MET 26 HB2 MET 26 -0.819 12.850 2.328 215 2HB MET 26 HB1 MET 26 -0.979 13.954 0.971 216 1HG MET 26 HG2 MET 26 -2.249 15.370 2.126 217 2HG MET 26 HG1 MET 26 -3.234 14.074 2.804 218 1HE MET 26 HE1 MET 26 -3.598 14.033 4.907 219 2HE MET 26 HE2 MET 26 -3.145 15.642 5.472 220 3HE MET 26 HE3 MET 26 -2.509 14.210 6.282 221 H TYR 27 HN TYR 27 -4.279 12.338 -0.699 222 HA TYR 27 HA TYR 27 -2.464 12.038 -2.954 223 1HB TYR 27 HB2 TYR 27 -4.313 10.465 -2.714 224 2HB TYR 27 HB1 TYR 27 -5.467 11.789 -2.744 225 HD1 TYR 27 HD1 TYR 27 -5.539 13.220 -4.874 226 HD2 TYR 27 HD2 TYR 27 -3.708 9.391 -4.674 227 HE1 TYR 27 HE1 TYR 27 -5.742 13.012 -7.305 228 HE2 TYR 27 HE2 TYR 27 -3.891 9.160 -7.109 229 HH TYR 27 HH TYR 27 -4.977 10.030 -8.975 230 H LYS 28 HN LYS 28 -1.728 13.868 -3.801 231 HA LYS 28 HA LYS 28 -1.617 16.017 -4.565 232 1HB LYS 28 HB2 LYS 28 -3.522 14.605 -5.992 233 2HB LYS 28 HB1 LYS 28 -4.350 16.103 -5.589 234 1HG LYS 28 HG2 LYS 28 -1.662 16.603 -6.521 235 2HG LYS 28 HG1 LYS 28 -2.597 15.675 -7.696 236 1HD LYS 28 HD2 LYS 28 -4.270 17.344 -7.822 237 2HD LYS 28 HD1 LYS 28 -3.655 18.172 -6.391 238 1HE LYS 28 HE2 LYS 28 -2.531 19.499 -7.782 239 2HE LYS 28 HE1 LYS 28 -1.490 18.117 -8.120 240 1HZ LYS 28 HZ1 LYS 28 -2.550 19.287 -10.087 241 2HZ LYS 28 HZ2 LYS 28 -4.004 18.566 -9.610 242 3HZ LYS 28 HZ3 LYS 28 -2.682 17.601 -10.042 243 H GLY 29 HN GLY 29 -2.327 15.922 -1.874 244 1HA GLY 29 HA2 GLY 29 -2.842 17.651 -0.378 245 2HA GLY 29 HA1 GLY 29 -3.743 18.457 -1.653 246 H GLN 30 HN GLN 30 -4.980 15.594 -2.046 247 HA GLN 30 HA GLN 30 -6.967 15.893 0.099 248 1HB GLN 30 HB2 GLN 30 -8.486 16.212 -1.505 249 2HB GLN 30 HB1 GLN 30 -7.275 15.968 -2.746 250 1HG GLN 30 HG2 GLN 30 -8.484 13.556 -1.501 251 2HG GLN 30 HG1 GLN 30 -9.470 14.514 -2.599 252 1HE2 GLN 30 HE21 GLN 30 -7.996 11.809 -2.644 253 2HE2 GLN 30 HE22 GLN 30 -7.245 11.807 -4.198 254 HA PRO 31 HA PRO 31 -5.111 11.825 0.947 255 1HB PRO 31 HB2 PRO 31 -6.291 11.597 3.415 256 2HB PRO 31 HB1 PRO 31 -4.750 12.409 3.117 257 1HG PRO 31 HG2 PRO 31 -7.488 13.583 3.401 258 2HG PRO 31 HG1 PRO 31 -5.946 14.158 4.067 259 1HD PRO 31 HD2 PRO 31 -7.024 15.280 1.894 260 2HD PRO 31 HD1 PRO 31 -5.273 15.075 2.045 261 H MET 32 HN MET 32 -5.872 9.796 0.789 262 HA MET 32 HA MET 32 -8.726 9.258 1.048 263 1HB MET 32 HB2 MET 32 -7.152 9.047 -1.496 264 2HB MET 32 HB1 MET 32 -8.459 7.912 -1.188 265 1HG MET 32 HG2 MET 32 -8.845 10.883 -1.041 266 2HG MET 32 HG1 MET 32 -9.014 9.977 -2.543 267 1HE MET 32 HE1 MET 32 -11.447 11.787 -1.108 268 2HE MET 32 HE2 MET 32 -10.618 11.402 0.401 269 3HE MET 32 HE3 MET 32 -12.294 10.906 0.164 270 H THR 33 HN THR 33 -9.193 6.977 1.203 271 HA THR 33 HA THR 33 -7.027 5.548 2.487 272 HB THR 33 HB THR 33 -8.897 3.817 2.834 273 HG1 THR 33 HG1 THR 33 -10.833 4.294 2.164 274 1HG2 THR 33 HG21 THR 33 -9.297 6.565 3.989 275 2HG2 THR 33 HG22 THR 33 -8.216 5.324 4.622 276 3HG2 THR 33 HG23 THR 33 -9.959 5.060 4.626 277 H PHE 34 HN PHE 34 -5.759 4.138 1.487 278 HA PHE 34 HA PHE 34 -6.743 2.906 -0.997 279 1HB PHE 34 HB2 PHE 34 -3.893 3.527 -0.204 280 2HB PHE 34 HB1 PHE 34 -4.374 2.673 -1.668 281 HD1 PHE 34 HD1 PHE 34 -5.013 5.854 0.136 282 HD2 PHE 34 HD2 PHE 34 -4.679 3.863 -3.611 283 HE1 PHE 34 HE1 PHE 34 -5.275 8.008 -1.019 284 HE2 PHE 34 HE2 PHE 34 -4.934 6.022 -4.777 285 HZ PHE 34 HZ PHE 34 -5.237 8.096 -3.477 286 H ARG 35 HN ARG 35 -7.419 0.921 -0.543 287 HA ARG 35 HA ARG 35 -6.033 -0.683 1.469 288 1HB ARG 35 HB2 ARG 35 -8.346 -0.682 1.849 289 2HB ARG 35 HB1 ARG 35 -8.719 -0.828 0.136 290 1HG ARG 35 HG2 ARG 35 -8.646 -3.067 0.194 291 2HG ARG 35 HG1 ARG 35 -7.217 -3.093 1.229 292 1HD ARG 35 HD2 ARG 35 -8.600 -2.632 3.178 293 2HD ARG 35 HD1 ARG 35 -10.034 -2.540 2.156 294 HE ARG 35 HE ARG 35 -9.074 -5.008 1.631 295 1HH1 ARG 35 HH11 ARG 35 -9.815 -3.331 4.601 296 2HH1 ARG 35 HH12 ARG 35 -10.226 -4.778 5.461 297 1HH2 ARG 35 HH21 ARG 35 -9.613 -6.911 2.761 298 2HH2 ARG 35 HH22 ARG 35 -10.110 -6.809 4.417 299 H LEU 36 HN LEU 36 -4.452 -1.978 0.797 300 HA LEU 36 HA LEU 36 -4.767 -4.003 -1.086 301 1HB LEU 36 HB2 LEU 36 -4.615 -1.776 -2.507 302 2HB LEU 36 HB1 LEU 36 -2.899 -1.995 -2.258 303 HG LEU 36 HG LEU 36 -3.316 -2.990 -4.328 304 1HD1 LEU 36 HD11 LEU 36 -3.388 -5.176 -2.257 305 2HD1 LEU 36 HD12 LEU 36 -1.956 -4.431 -2.964 306 3HD1 LEU 36 HD13 LEU 36 -3.023 -5.416 -3.966 307 1HD2 LEU 36 HD21 LEU 36 -5.803 -2.973 -4.027 308 2HD2 LEU 36 HD22 LEU 36 -5.642 -4.509 -3.175 309 3HD2 LEU 36 HD23 LEU 36 -5.160 -4.384 -4.867 310 H LEU 37 HN LEU 37 -1.931 -1.883 -0.793 311 HA LEU 37 HA LEU 37 0.222 -2.381 -0.218 312 1HB LEU 37 HB2 LEU 37 -1.471 -3.192 2.106 313 2HB LEU 37 HB1 LEU 37 0.261 -3.455 2.169 314 HG LEU 37 HG LEU 37 -0.104 -0.790 1.309 315 1HD1 LEU 37 HD11 LEU 37 -1.293 -0.315 3.740 316 2HD1 LEU 37 HD12 LEU 37 -2.222 -1.670 3.099 317 3HD1 LEU 37 HD13 LEU 37 -2.070 -0.184 2.162 318 1HD2 LEU 37 HD21 LEU 37 1.768 -1.044 2.546 319 2HD2 LEU 37 HD22 LEU 37 1.035 -2.241 3.614 320 3HD2 LEU 37 HD23 LEU 37 0.700 -0.525 3.850 321 H LEU 38 HN LEU 38 -0.230 -4.124 -2.068 322 HA LEU 38 HA LEU 38 0.249 -6.181 -2.917 323 1HB LEU 38 HB2 LEU 38 2.400 -5.417 -1.656 324 2HB LEU 38 HB1 LEU 38 1.980 -6.693 -0.530 325 HG LEU 38 HG LEU 38 3.573 -7.576 -2.070 326 1HD1 LEU 38 HD11 LEU 38 2.479 -9.499 -2.769 327 2HD1 LEU 38 HD12 LEU 38 0.986 -8.635 -3.139 328 3HD1 LEU 38 HD13 LEU 38 1.454 -8.908 -1.461 329 1HD2 LEU 38 HD21 LEU 38 3.127 -5.846 -3.834 330 2HD2 LEU 38 HD22 LEU 38 1.747 -6.820 -4.340 331 3HD2 LEU 38 HD23 LEU 38 3.378 -7.484 -4.435 332 H VAL 39 HN VAL 39 -1.690 -7.257 -2.738 333 HA VAL 39 HA VAL 39 -2.663 -8.404 -0.336 334 HB VAL 39 HB VAL 39 -3.338 -9.238 -3.162 335 1HG1 VAL 39 HG11 VAL 39 -4.406 -9.899 -0.495 336 2HG1 VAL 39 HG12 VAL 39 -4.424 -10.833 -1.990 337 3HG1 VAL 39 HG13 VAL 39 -5.604 -9.547 -1.740 338 1HG2 VAL 39 HG21 VAL 39 -4.123 -6.880 -1.545 339 2HG2 VAL 39 HG22 VAL 39 -5.379 -7.664 -2.503 340 3HG2 VAL 39 HG23 VAL 39 -3.927 -7.045 -3.290 341 H ASP 40 HN ASP 40 -1.600 -9.943 0.732 342 HA ASP 40 HA ASP 40 -0.603 -12.252 -0.792 343 1HB ASP 40 HB2 ASP 40 1.135 -10.510 0.164 344 2HB ASP 40 HB1 ASP 40 0.843 -11.365 1.675 345 H THR 41 HN THR 41 0.362 -13.163 2.049 346 HA THR 41 HA THR 41 -2.284 -14.071 2.994 347 HB THR 41 HB THR 41 -0.909 -15.805 1.808 348 HG1 THR 41 HG1 THR 41 -1.604 -16.118 4.521 349 1HG2 THR 41 HG21 THR 41 0.907 -15.504 4.176 350 2HG2 THR 41 HG22 THR 41 1.312 -15.201 2.485 351 3HG2 THR 41 HG23 THR 41 0.936 -16.835 3.023 352 HA PRO 42 HA PRO 42 -0.864 -12.353 6.862 353 1HB PRO 42 HB2 PRO 42 -2.926 -13.917 8.212 354 2HB PRO 42 HB1 PRO 42 -2.833 -12.174 7.977 355 1HG PRO 42 HG2 PRO 42 -4.670 -13.705 6.730 356 2HG PRO 42 HG1 PRO 42 -3.993 -12.230 6.015 357 1HD PRO 42 HD2 PRO 42 -3.280 -15.093 5.478 358 2HD PRO 42 HD1 PRO 42 -3.496 -13.751 4.332 359 H GLU 43 HN GLU 43 1.012 -13.174 7.600 360 HA GLU 43 HA GLU 43 2.446 -14.442 8.818 361 1HB GLU 43 HB2 GLU 43 -0.119 -15.031 9.911 362 2HB GLU 43 HB1 GLU 43 0.821 -16.517 9.875 363 1HG GLU 43 HG2 GLU 43 2.381 -14.277 10.837 364 2HG GLU 43 HG1 GLU 43 0.924 -14.534 11.797 365 H THR 44 HN THR 44 0.092 -16.370 6.955 366 HA THR 44 HA THR 44 1.784 -18.649 6.767 367 HB THR 44 HB THR 44 -0.223 -18.245 4.642 368 HG1 THR 44 HG1 THR 44 -1.465 -17.284 6.114 369 1HG2 THR 44 HG21 THR 44 -0.268 -20.448 4.707 370 2HG2 THR 44 HG22 THR 44 -0.776 -20.418 6.396 371 3HG2 THR 44 HG23 THR 44 0.940 -20.416 5.992 372 H LYS 45 HN LYS 45 1.707 -19.335 4.080 373 HA LYS 45 HA LYS 45 3.537 -17.356 2.886 374 1HB LYS 45 HB2 LYS 45 4.407 -19.437 1.612 375 2HB LYS 45 HB1 LYS 45 4.896 -19.205 3.285 376 1HG LYS 45 HG2 LYS 45 2.456 -20.806 2.836 377 2HG LYS 45 HG1 LYS 45 3.986 -21.526 2.333 378 1HD LYS 45 HD2 LYS 45 3.958 -20.254 4.998 379 2HD LYS 45 HD1 LYS 45 2.997 -21.724 4.828 380 1HE LYS 45 HE2 LYS 45 4.852 -22.927 5.036 381 2HE LYS 45 HE1 LYS 45 5.462 -22.207 3.547 382 1HZ LYS 45 HZ1 LYS 45 6.664 -21.978 5.917 383 2HZ LYS 45 HZ2 LYS 45 5.733 -20.565 5.919 384 3HZ LYS 45 HZ3 LYS 45 6.833 -20.850 4.666 385 H HIS 46 HN HIS 46 0.942 -19.667 2.282 386 HA HIS 46 HA HIS 46 0.740 -19.049 -0.510 387 1HB HIS 46 HB2 HIS 46 -0.605 -20.824 1.399 388 2HB HIS 46 HB1 HIS 46 -1.686 -20.154 0.180 389 HD1 HIS 46 HD1 HIS 46 1.677 -21.941 0.278 390 HD2 HIS 46 HD2 HIS 46 -1.703 -21.585 -2.113 391 HE1 HIS 46 HE1 HIS 46 2.023 -23.552 -1.620 392 HE2 HIS 46 HE2 HIS 46 0.002 -23.263 -3.096 393 HA PRO 47 HA PRO 47 -1.148 -15.012 0.145 394 1HB PRO 47 HB2 PRO 47 -2.257 -15.017 -2.452 395 2HB PRO 47 HB1 PRO 47 -0.739 -14.277 -1.943 396 1HG PRO 47 HG2 PRO 47 -1.224 -16.903 -3.252 397 2HG PRO 47 HG1 PRO 47 0.153 -15.798 -3.414 398 1HD PRO 47 HD2 PRO 47 0.351 -18.056 -2.005 399 2HD PRO 47 HD1 PRO 47 1.158 -16.569 -1.465 400 H LYS 48 HN LYS 48 -2.660 -16.230 1.657 401 HA LYS 48 HA LYS 48 -5.346 -16.226 0.479 402 1HB LYS 48 HB2 LYS 48 -4.688 -18.538 0.860 403 2HB LYS 48 HB1 LYS 48 -4.276 -18.170 2.528 404 1HG LYS 48 HG2 LYS 48 -6.336 -18.748 3.095 405 2HG LYS 48 HG1 LYS 48 -6.922 -17.331 2.222 406 1HD LYS 48 HD2 LYS 48 -8.087 -18.860 1.043 407 2HD LYS 48 HD1 LYS 48 -6.563 -19.057 0.174 408 1HE LYS 48 HE2 LYS 48 -7.249 -21.238 0.720 409 2HE LYS 48 HE1 LYS 48 -5.991 -20.841 1.890 410 1HZ LYS 48 HZ1 LYS 48 -7.645 -21.758 3.189 411 2HZ LYS 48 HZ2 LYS 48 -8.901 -21.051 2.303 412 3HZ LYS 48 HZ3 LYS 48 -7.963 -20.103 3.344 413 H LYS 49 HN LYS 49 -5.916 -14.236 1.217 414 HA LYS 49 HA LYS 49 -7.255 -13.115 2.781 415 1HB LYS 49 HB2 LYS 49 -6.950 -15.093 4.371 416 2HB LYS 49 HB1 LYS 49 -5.569 -14.218 5.013 417 1HG LYS 49 HG2 LYS 49 -7.016 -12.347 5.605 418 2HG LYS 49 HG1 LYS 49 -8.405 -13.209 4.940 419 1HD LYS 49 HD2 LYS 49 -6.693 -14.364 7.125 420 2HD LYS 49 HD1 LYS 49 -8.076 -13.320 7.464 421 1HE LYS 49 HE2 LYS 49 -9.319 -15.171 7.417 422 2HE LYS 49 HE1 LYS 49 -9.080 -15.166 5.671 423 1HZ LYS 49 HZ1 LYS 49 -7.640 -16.874 5.776 424 2HZ LYS 49 HZ2 LYS 49 -8.424 -17.209 7.237 425 3HZ LYS 49 HZ3 LYS 49 -6.954 -16.373 7.240 426 H GLY 50 HN GLY 50 -5.007 -12.245 1.327 427 1HA GLY 50 HA2 GLY 50 -3.420 -10.572 1.265 428 2HA GLY 50 HA1 GLY 50 -4.568 -9.739 2.299 429 H VAL 51 HN VAL 51 -3.503 -8.822 3.922 430 HA VAL 51 HA VAL 51 -1.383 -10.384 5.252 431 HB VAL 51 HB VAL 51 -0.615 -8.036 6.045 432 1HG1 VAL 51 HG11 VAL 51 0.990 -8.005 4.378 433 2HG1 VAL 51 HG12 VAL 51 -0.143 -8.535 3.135 434 3HG1 VAL 51 HG13 VAL 51 0.436 -9.678 4.346 435 1HG2 VAL 51 HG21 VAL 51 -1.351 -6.173 4.989 436 2HG2 VAL 51 HG22 VAL 51 -2.802 -7.151 4.773 437 3HG2 VAL 51 HG23 VAL 51 -1.628 -7.014 3.464 438 H GLU 52 HN GLU 52 -1.334 -10.476 7.466 439 HA GLU 52 HA GLU 52 -3.825 -10.066 8.818 440 1HB GLU 52 HB2 GLU 52 -1.493 -11.611 9.245 441 2HB GLU 52 HB1 GLU 52 -1.664 -10.566 10.648 442 1HG GLU 52 HG2 GLU 52 -4.153 -11.845 9.806 443 2HG GLU 52 HG1 GLU 52 -2.894 -12.969 10.312 444 H LYS 53 HN LYS 53 -3.427 -9.207 11.232 445 HA LYS 53 HA LYS 53 -2.388 -6.466 10.926 446 1HB LYS 53 HB2 LYS 53 -3.959 -5.985 12.891 447 2HB LYS 53 HB1 LYS 53 -4.705 -6.285 11.327 448 1HG LYS 53 HG2 LYS 53 -5.397 -8.444 11.954 449 2HG LYS 53 HG1 LYS 53 -4.354 -8.448 13.378 450 1HD LYS 53 HD2 LYS 53 -5.712 -6.797 14.457 451 2HD LYS 53 HD1 LYS 53 -6.659 -6.545 12.990 452 1HE LYS 53 HE2 LYS 53 -8.097 -7.988 13.934 453 2HE LYS 53 HE1 LYS 53 -6.968 -9.216 13.364 454 1HZ LYS 53 HZ1 LYS 53 -7.696 -9.245 15.810 455 2HZ LYS 53 HZ2 LYS 53 -6.605 -7.967 16.010 456 3HZ LYS 53 HZ3 LYS 53 -6.055 -9.468 15.457 457 H TYR 54 HN TYR 54 -0.286 -6.910 11.574 458 HA TYR 54 HA TYR 54 0.092 -8.129 14.206 459 1HB TYR 54 HB2 TYR 54 2.611 -7.454 13.142 460 2HB TYR 54 HB1 TYR 54 1.882 -9.052 13.230 461 HD1 TYR 54 HD1 TYR 54 0.102 -9.490 11.249 462 HD2 TYR 54 HD2 TYR 54 3.368 -6.763 11.076 463 HE1 TYR 54 HE1 TYR 54 0.055 -9.601 8.791 464 HE2 TYR 54 HE2 TYR 54 3.329 -6.866 8.625 465 HH TYR 54 HH TYR 54 1.456 -7.427 6.831 466 H GLY 55 HN GLY 55 0.553 -5.092 12.498 467 1HA GLY 55 HA2 GLY 55 0.342 -3.025 13.692 468 2HA GLY 55 HA1 GLY 55 1.005 -3.819 15.110 469 HA PRO 56 HA PRO 56 5.165 -2.496 14.605 470 1HB PRO 56 HB2 PRO 56 5.828 -5.252 13.626 471 2HB PRO 56 HB1 PRO 56 6.710 -4.226 14.770 472 1HG PRO 56 HG2 PRO 56 5.170 -6.169 15.685 473 2HG PRO 56 HG1 PRO 56 5.153 -4.582 16.478 474 1HD PRO 56 HD2 PRO 56 3.135 -5.824 14.680 475 2HD PRO 56 HD1 PRO 56 2.895 -4.711 16.041 476 H GLU 57 HN GLU 57 4.320 -4.703 11.909 477 HA GLU 57 HA GLU 57 5.999 -3.128 10.153 478 1HB GLU 57 HB2 GLU 57 6.082 -5.582 10.073 479 2HB GLU 57 HB1 GLU 57 4.406 -5.604 9.543 480 1HG GLU 57 HG2 GLU 57 6.512 -4.123 8.014 481 2HG GLU 57 HG1 GLU 57 6.241 -5.848 7.785 482 H ALA 58 HN ALA 58 2.699 -4.407 9.795 483 HA ALA 58 HA ALA 58 2.012 -2.758 7.664 484 1HB ALA 58 HB1 ALA 58 -0.263 -3.492 9.310 485 2HB ALA 58 HB2 ALA 58 0.835 -4.840 9.014 486 3HB ALA 58 HB3 ALA 58 0.142 -3.953 7.656 487 H SER 59 HN SER 59 1.525 -2.237 11.140 488 HA SER 59 HA SER 59 0.225 0.306 10.562 489 1HB SER 59 HB2 SER 59 0.705 -1.134 13.175 490 2HB SER 59 HB1 SER 59 -0.139 0.405 13.025 491 HG SER 59 HG SER 59 -1.751 -0.597 11.888 492 H ALA 60 HN ALA 60 3.126 -0.891 12.214 493 HA ALA 60 HA ALA 60 4.013 1.815 12.745 494 1HB ALA 60 HB1 ALA 60 4.605 -0.819 13.774 495 2HB ALA 60 HB2 ALA 60 4.797 0.761 14.530 496 3HB ALA 60 HB3 ALA 60 6.066 0.124 13.485 497 H PHE 61 HN PHE 61 4.918 -0.832 10.560 498 HA PHE 61 HA PHE 61 7.271 0.639 9.690 499 1HB PHE 61 HB2 PHE 61 7.051 -1.914 10.003 500 2HB PHE 61 HB1 PHE 61 6.282 -1.890 8.421 501 HD1 PHE 61 HD1 PHE 61 9.313 -2.134 10.169 502 HD2 PHE 61 HD2 PHE 61 7.624 -0.698 6.540 503 HE1 PHE 61 HE1 PHE 61 11.536 -2.204 9.114 504 HE2 PHE 61 HE2 PHE 61 9.843 -0.760 5.476 505 HZ PHE 61 HZ PHE 61 11.803 -1.514 6.764 506 H THR 62 HN THR 62 4.010 0.151 8.595 507 HA THR 62 HA THR 62 4.320 0.563 5.865 508 HB THR 62 HB THR 62 2.091 1.045 7.796 509 HG1 THR 62 HG1 THR 62 1.338 -0.720 6.894 510 1HG2 THR 62 HG21 THR 62 2.260 2.232 5.105 511 2HG2 THR 62 HG22 THR 62 1.284 2.699 6.499 512 3HG2 THR 62 HG23 THR 62 0.778 1.352 5.479 513 H LYS 63 HN LYS 63 3.231 3.122 8.139 514 HA LYS 63 HA LYS 63 3.943 5.148 6.246 515 1HB LYS 63 HB2 LYS 63 2.936 6.676 7.697 516 2HB LYS 63 HB1 LYS 63 2.018 5.195 7.917 517 1HG LYS 63 HG2 LYS 63 4.228 6.085 9.749 518 2HG LYS 63 HG1 LYS 63 2.522 6.427 10.015 519 1HD LYS 63 HD2 LYS 63 2.109 3.958 9.954 520 2HD LYS 63 HD1 LYS 63 3.859 3.728 9.916 521 1HE LYS 63 HE2 LYS 63 2.162 4.880 12.108 522 2HE LYS 63 HE1 LYS 63 3.273 3.516 12.178 523 1HZ LYS 63 HZ1 LYS 63 4.587 5.073 13.118 524 2HZ LYS 63 HZ2 LYS 63 3.829 6.370 12.340 525 3HZ LYS 63 HZ3 LYS 63 4.961 5.430 11.508 526 H LYS 64 HN LYS 64 5.619 3.560 8.790 527 HA LYS 64 HA LYS 64 7.347 5.440 9.784 528 1HB LYS 64 HB2 LYS 64 7.293 2.587 9.576 529 2HB LYS 64 HB1 LYS 64 8.923 3.146 9.236 530 1HG LYS 64 HG2 LYS 64 7.361 3.985 11.664 531 2HG LYS 64 HG1 LYS 64 8.452 2.599 11.632 532 1HD LYS 64 HD2 LYS 64 9.796 4.866 10.526 533 2HD LYS 64 HD1 LYS 64 9.085 5.321 12.075 534 1HE LYS 64 HE2 LYS 64 10.481 2.718 11.975 535 2HE LYS 64 HE1 LYS 64 11.491 4.157 11.837 536 1HZ LYS 64 HZ1 LYS 64 9.483 3.886 13.989 537 2HZ LYS 64 HZ2 LYS 64 10.829 4.909 13.926 538 3HZ LYS 64 HZ3 LYS 64 11.042 3.246 14.154 539 H MET 65 HN MET 65 7.833 3.541 6.806 540 HA MET 65 HA MET 65 10.232 4.892 6.091 541 1HB MET 65 HB2 MET 65 9.016 2.595 5.273 542 2HB MET 65 HB1 MET 65 8.679 3.659 3.913 543 1HG MET 65 HG2 MET 65 10.930 3.942 3.415 544 2HG MET 65 HG1 MET 65 11.449 3.411 5.013 545 1HE MET 65 HE1 MET 65 10.299 0.776 1.444 546 2HE MET 65 HE2 MET 65 10.909 2.428 1.369 547 3HE MET 65 HE3 MET 65 9.288 2.115 1.988 548 H VAL 66 HN VAL 66 6.931 5.722 5.814 549 HA VAL 66 HA VAL 66 7.326 7.523 3.570 550 HB VAL 66 HB VAL 66 4.881 7.140 5.302 551 1HG1 VAL 66 HG11 VAL 66 4.036 8.021 2.854 552 2HG1 VAL 66 HG12 VAL 66 5.527 8.935 3.087 553 3HG1 VAL 66 HG13 VAL 66 4.239 9.030 4.287 554 1HG2 VAL 66 HG21 VAL 66 4.909 5.110 4.303 555 2HG2 VAL 66 HG22 VAL 66 5.949 5.652 2.986 556 3HG2 VAL 66 HG23 VAL 66 4.225 6.017 2.954 557 H GLU 67 HN GLU 67 7.734 7.645 6.924 558 HA GLU 67 HA GLU 67 7.150 10.496 7.115 559 1HB GLU 67 HB2 GLU 67 6.747 8.526 8.897 560 2HB GLU 67 HB1 GLU 67 8.346 9.048 9.408 561 1HG GLU 67 HG2 GLU 67 7.338 11.415 9.398 562 2HG GLU 67 HG1 GLU 67 5.782 10.586 9.380 563 H ASN 68 HN ASN 68 9.760 8.601 6.226 564 HA ASN 68 HA ASN 68 11.671 10.653 7.134 565 1HB ASN 68 HB2 ASN 68 13.418 8.874 6.796 566 2HB ASN 68 HB1 ASN 68 12.275 8.551 8.096 567 1HD2 ASN 68 HD21 ASN 68 12.617 6.352 8.037 568 2HD2 ASN 68 HD22 ASN 68 12.046 5.353 6.748 569 H ALA 69 HN ALA 69 10.404 8.916 4.391 570 HA ALA 69 HA ALA 69 12.365 10.188 2.623 571 1HB ALA 69 HB1 ALA 69 10.422 7.931 2.191 572 2HB ALA 69 HB2 ALA 69 12.184 7.864 2.205 573 3HB ALA 69 HB3 ALA 69 11.343 8.675 0.884 574 H LYS 70 HN LYS 70 11.793 11.590 1.011 575 HA LYS 70 HA LYS 70 9.113 12.753 1.235 576 1HB LYS 70 HB2 LYS 70 10.045 14.705 0.121 577 2HB LYS 70 HB1 LYS 70 11.045 14.266 1.499 578 1HG LYS 70 HG2 LYS 70 12.292 12.895 -0.461 579 2HG LYS 70 HG1 LYS 70 11.674 14.275 -1.371 580 1HD LYS 70 HD2 LYS 70 12.663 15.705 0.523 581 2HD LYS 70 HD1 LYS 70 13.560 14.251 0.965 582 1HE LYS 70 HE2 LYS 70 13.721 14.780 -1.877 583 2HE LYS 70 HE1 LYS 70 14.283 16.157 -0.930 584 1HZ LYS 70 HZ1 LYS 70 16.179 15.084 -0.628 585 2HZ LYS 70 HZ2 LYS 70 15.597 13.718 -1.438 586 3HZ LYS 70 HZ3 LYS 70 15.365 13.874 0.230 587 H LYS 71 HN LYS 71 9.690 10.248 -0.190 588 HA LYS 71 HA LYS 71 8.516 11.001 -2.758 589 1HB LYS 71 HB2 LYS 71 10.029 9.111 -3.746 590 2HB LYS 71 HB1 LYS 71 10.658 10.745 -3.577 591 1HG LYS 71 HG2 LYS 71 11.495 9.863 -1.256 592 2HG LYS 71 HG1 LYS 71 11.318 8.288 -2.028 593 1HD LYS 71 HD2 LYS 71 13.549 8.934 -2.419 594 2HD LYS 71 HD1 LYS 71 12.701 9.228 -3.937 595 1HE LYS 71 HE2 LYS 71 12.366 11.617 -2.762 596 2HE LYS 71 HE1 LYS 71 13.892 11.137 -2.020 597 1HZ LYS 71 HZ1 LYS 71 14.730 12.055 -3.880 598 2HZ LYS 71 HZ2 LYS 71 13.312 11.842 -4.777 599 3HZ LYS 71 HZ3 LYS 71 14.379 10.547 -4.563 600 H ILE 72 HN ILE 72 6.562 10.119 -2.331 601 HA ILE 72 HA ILE 72 6.516 7.207 -1.918 602 HB ILE 72 HB ILE 72 4.470 9.091 -0.756 603 1HG1 ILE 72 HG12 ILE 72 5.783 7.962 1.376 604 2HG1 ILE 72 HG11 ILE 72 7.102 8.253 0.247 605 1HG2 ILE 72 HG21 ILE 72 3.312 7.175 -0.692 606 2HG2 ILE 72 HG22 ILE 72 4.374 6.750 0.649 607 3HG2 ILE 72 HG23 ILE 72 4.744 6.188 -0.981 608 1HD1 ILE 72 HD11 ILE 72 5.146 10.304 1.254 609 2HD1 ILE 72 HD12 ILE 72 6.446 10.603 0.100 610 3HD1 ILE 72 HD13 ILE 72 6.827 10.123 1.754 611 H GLU 73 HN GLU 73 6.169 6.754 -4.073 612 HA GLU 73 HA GLU 73 3.789 7.961 -5.308 613 1HB GLU 73 HB2 GLU 73 5.702 6.211 -6.804 614 2HB GLU 73 HB1 GLU 73 4.684 7.509 -7.406 615 1HG GLU 73 HG2 GLU 73 6.118 9.168 -6.502 616 2HG GLU 73 HG1 GLU 73 7.037 7.967 -5.595 617 H VAL 74 HN VAL 74 2.023 6.814 -5.776 618 HA VAL 74 HA VAL 74 2.034 3.974 -5.030 619 HB VAL 74 HB VAL 74 -0.425 4.190 -4.876 620 1HG1 VAL 74 HG11 VAL 74 0.651 6.400 -3.197 621 2HG1 VAL 74 HG12 VAL 74 1.333 4.785 -3.012 622 3HG1 VAL 74 HG13 VAL 74 -0.392 5.049 -2.753 623 1HG2 VAL 74 HG21 VAL 74 -0.506 7.084 -4.793 624 2HG2 VAL 74 HG22 VAL 74 -1.552 5.951 -5.648 625 3HG2 VAL 74 HG23 VAL 74 -0.044 6.488 -6.387 626 H GLU 75 HN GLU 75 1.422 2.410 -6.436 627 HA GLU 75 HA GLU 75 1.250 3.167 -9.239 628 1HB GLU 75 HB2 GLU 75 2.740 1.311 -8.406 629 2HB GLU 75 HB1 GLU 75 1.285 0.386 -8.062 630 1HG GLU 75 HG2 GLU 75 0.686 0.346 -10.379 631 2HG GLU 75 HG1 GLU 75 2.005 1.443 -10.783 632 H PHE 76 HN PHE 76 -0.989 4.036 -7.999 633 HA PHE 76 HA PHE 76 -3.060 2.023 -8.381 634 1HB PHE 76 HB2 PHE 76 -4.228 3.150 -6.824 635 2HB PHE 76 HB1 PHE 76 -2.726 3.994 -6.506 636 HD1 PHE 76 HD1 PHE 76 -5.952 4.606 -6.544 637 HD2 PHE 76 HD2 PHE 76 -2.503 5.891 -8.677 638 HE1 PHE 76 HE1 PHE 76 -7.063 6.739 -7.045 639 HE2 PHE 76 HE2 PHE 76 -3.613 8.025 -9.191 640 HZ PHE 76 HZ PHE 76 -5.899 8.450 -8.374 641 H ASP 77 HN ASP 77 -4.873 2.336 -9.735 642 HA ASP 77 HA ASP 77 -4.251 3.760 -12.183 643 1HB ASP 77 HB2 ASP 77 -5.343 1.346 -11.832 644 2HB ASP 77 HB1 ASP 77 -6.832 2.290 -11.868 645 H LYS 78 HN LYS 78 -5.956 5.037 -13.283 646 HA LYS 78 HA LYS 78 -7.133 6.906 -11.388 647 1HB LYS 78 HB2 LYS 78 -6.133 7.033 -14.106 648 2HB LYS 78 HB1 LYS 78 -7.720 7.777 -13.981 649 1HG LYS 78 HG2 LYS 78 -5.925 8.554 -11.824 650 2HG LYS 78 HG1 LYS 78 -5.323 8.985 -13.427 651 1HD LYS 78 HD2 LYS 78 -6.980 10.491 -13.790 652 2HD LYS 78 HD1 LYS 78 -8.176 9.550 -12.897 653 1HE LYS 78 HE2 LYS 78 -7.811 11.514 -11.635 654 2HE LYS 78 HE1 LYS 78 -6.952 10.224 -10.793 655 1HZ LYS 78 HZ1 LYS 78 -5.417 11.707 -12.766 656 2HZ LYS 78 HZ2 LYS 78 -4.961 11.143 -11.238 657 3HZ LYS 78 HZ3 LYS 78 -5.859 12.569 -11.379 658 H GLY 79 HN GLY 79 -8.339 4.286 -11.660 659 1HA GLY 79 HA2 GLY 79 -11.070 5.082 -11.877 660 2HA GLY 79 HA1 GLY 79 -10.578 4.083 -13.240 661 H GLN 80 HN GLN 80 -9.215 3.776 -10.064 662 HA GLN 80 HA GLN 80 -9.960 1.010 -9.996 663 1HB GLN 80 HB2 GLN 80 -8.477 2.620 -7.926 664 2HB GLN 80 HB1 GLN 80 -8.535 0.865 -8.060 665 1HG GLN 80 HG2 GLN 80 -7.518 2.546 -10.305 666 2HG GLN 80 HG1 GLN 80 -6.477 2.107 -8.962 667 1HE2 GLN 80 HE21 GLN 80 -5.205 0.469 -9.519 668 2HE2 GLN 80 HE22 GLN 80 -5.673 -0.909 -10.444 669 H ARG 81 HN ARG 81 -11.512 0.132 -9.011 670 HA ARG 81 HA ARG 81 -13.771 1.284 -8.060 671 1HB ARG 81 HB2 ARG 81 -12.541 -1.355 -7.784 672 2HB ARG 81 HB1 ARG 81 -13.651 -0.970 -6.477 673 1HG ARG 81 HG2 ARG 81 -15.297 -0.316 -8.332 674 2HG ARG 81 HG1 ARG 81 -14.211 -1.195 -9.409 675 1HD ARG 81 HD2 ARG 81 -14.785 -2.716 -7.019 676 2HD ARG 81 HD1 ARG 81 -16.267 -2.257 -7.856 677 HE ARG 81 HE ARG 81 -14.271 -3.338 -9.607 678 1HH1 ARG 81 HH11 ARG 81 -16.854 -4.142 -7.402 679 2HH1 ARG 81 HH12 ARG 81 -17.167 -5.680 -8.134 680 1HH2 ARG 81 HH21 ARG 81 -14.682 -5.362 -10.570 681 2HH2 ARG 81 HH22 ARG 81 -15.935 -6.373 -9.932 682 H THR 82 HN THR 82 -14.438 2.363 -6.329 683 HA THR 82 HA THR 82 -12.625 2.546 -4.016 684 HB THR 82 HB THR 82 -13.606 4.726 -3.574 685 HG1 THR 82 HG1 THR 82 -15.251 4.223 -5.827 686 1HG2 THR 82 HG21 THR 82 -11.840 4.453 -5.423 687 2HG2 THR 82 HG22 THR 82 -12.730 5.971 -5.309 688 3HG2 THR 82 HG23 THR 82 -13.177 4.777 -6.527 689 H ASP 83 HN ASP 83 -13.875 3.147 -1.917 690 HA ASP 83 HA ASP 83 -16.504 1.917 -1.757 691 1HB ASP 83 HB2 ASP 83 -15.061 0.008 -1.397 692 2HB ASP 83 HB1 ASP 83 -14.147 0.880 -0.174 693 H LYS 84 HN LYS 84 -14.625 2.193 1.167 694 HA LYS 84 HA LYS 84 -16.459 4.038 2.283 695 1HB LYS 84 HB2 LYS 84 -13.786 3.010 3.232 696 2HB LYS 84 HB1 LYS 84 -14.771 4.116 4.180 697 1HG LYS 84 HG2 LYS 84 -15.984 1.586 3.181 698 2HG LYS 84 HG1 LYS 84 -14.902 1.539 4.573 699 1HD LYS 84 HD2 LYS 84 -16.740 1.994 5.774 700 2HD LYS 84 HD1 LYS 84 -16.531 3.645 5.190 701 1HE LYS 84 HE2 LYS 84 -17.883 2.337 3.140 702 2HE LYS 84 HE1 LYS 84 -18.624 1.728 4.619 703 1HZ LYS 84 HZ1 LYS 84 -19.840 3.587 4.451 704 2HZ LYS 84 HZ2 LYS 84 -18.722 4.378 3.459 705 3HZ LYS 84 HZ3 LYS 84 -18.490 4.348 5.135 706 H TYR 85 HN TYR 85 -13.115 4.855 2.857 707 HA TYR 85 HA TYR 85 -13.646 7.563 1.928 708 1HB TYR 85 HB2 TYR 85 -11.427 6.286 3.511 709 2HB TYR 85 HB1 TYR 85 -11.229 7.898 2.825 710 HD1 TYR 85 HD1 TYR 85 -13.061 9.635 3.443 711 HD2 TYR 85 HD2 TYR 85 -12.411 6.024 5.596 712 HE1 TYR 85 HE1 TYR 85 -14.210 10.598 5.393 713 HE2 TYR 85 HE2 TYR 85 -13.559 6.976 7.550 714 HH TYR 85 HH TYR 85 -14.153 9.096 8.486 715 H GLY 86 HN GLY 86 -13.703 5.909 -0.183 716 1HA GLY 86 HA2 GLY 86 -12.828 6.237 -2.360 717 2HA GLY 86 HA1 GLY 86 -11.286 6.685 -1.641 718 H ARG 87 HN ARG 87 -11.204 4.459 0.198 719 HA ARG 87 HA ARG 87 -9.882 2.543 0.069 720 1HB ARG 87 HB2 ARG 87 -12.633 1.801 -0.913 721 2HB ARG 87 HB1 ARG 87 -11.417 0.610 -0.469 722 1HG ARG 87 HG2 ARG 87 -12.557 2.721 1.352 723 2HG ARG 87 HG1 ARG 87 -12.987 1.010 1.352 724 1HD ARG 87 HD2 ARG 87 -10.126 1.367 1.538 725 2HD ARG 87 HD1 ARG 87 -10.961 2.245 2.817 726 HE ARG 87 HE ARG 87 -11.284 -0.641 2.309 727 1HH1 ARG 87 HH11 ARG 87 -11.154 2.073 4.514 728 2HH1 ARG 87 HH12 ARG 87 -11.375 1.090 5.920 729 1HH2 ARG 87 HH21 ARG 87 -11.571 -1.919 4.162 730 2HH2 ARG 87 HH22 ARG 87 -11.605 -1.170 5.723 731 H TRP 88 HN TRP 88 -8.489 3.366 -1.612 732 HA TRP 88 HA TRP 88 -8.914 2.165 -4.257 733 1HB TRP 88 HB2 TRP 88 -7.033 4.337 -3.330 734 2HB TRP 88 HB1 TRP 88 -7.115 3.729 -4.972 735 HD1 TRP 88 HD1 TRP 88 -9.401 5.505 -2.402 736 HE1 TRP 88 HE1 TRP 88 -11.001 7.054 -3.692 737 HE3 TRP 88 HE3 TRP 88 -8.020 4.312 -7.182 738 HZ2 TRP 88 HZ2 TRP 88 -11.597 7.690 -6.377 739 HZ3 TRP 88 HZ3 TRP 88 -9.155 5.437 -9.050 740 HH2 TRP 88 HH2 TRP 88 -10.906 7.092 -8.656 741 H LEU 89 HN LEU 89 -7.076 1.173 -5.323 742 HA LEU 89 HA LEU 89 -5.582 -0.495 -3.500 743 1HB LEU 89 HB2 LEU 89 -4.947 -1.745 -5.356 744 2HB LEU 89 HB1 LEU 89 -6.530 -1.137 -5.787 745 HG LEU 89 HG LEU 89 -5.267 -0.909 -7.738 746 1HD1 LEU 89 HD11 LEU 89 -6.515 1.061 -7.412 747 2HD1 LEU 89 HD12 LEU 89 -4.922 1.575 -7.963 748 3HD1 LEU 89 HD13 LEU 89 -5.354 1.707 -6.266 749 1HD2 LEU 89 HD21 LEU 89 -3.072 -1.030 -6.183 750 2HD2 LEU 89 HD22 LEU 89 -3.058 0.681 -6.612 751 3HD2 LEU 89 HD23 LEU 89 -3.048 -0.546 -7.879 752 H ALA 90 HN ALA 90 -3.149 -0.734 -3.774 753 HA ALA 90 HA ALA 90 -1.435 1.036 -4.931 754 1HB ALA 90 HB1 ALA 90 -0.952 2.548 -2.859 755 2HB ALA 90 HB2 ALA 90 -2.633 2.198 -2.457 756 3HB ALA 90 HB3 ALA 90 -2.236 2.978 -3.988 757 H TYR 91 HN TYR 91 0.694 0.779 -4.317 758 HA TYR 91 HA TYR 91 1.168 -1.390 -2.406 759 1HB TYR 91 HB2 TYR 91 2.865 -0.256 -4.639 760 2HB TYR 91 HB1 TYR 91 3.436 -1.477 -3.508 761 HD1 TYR 91 HD1 TYR 91 3.502 -3.586 -4.412 762 HD2 TYR 91 HD2 TYR 91 0.341 -0.981 -5.566 763 HE1 TYR 91 HE1 TYR 91 2.575 -5.353 -5.849 764 HE2 TYR 91 HE2 TYR 91 -0.594 -2.742 -7.002 765 HH TYR 91 HH TYR 91 -0.237 -5.648 -6.823 766 H ILE 92 HN ILE 92 1.982 1.928 -3.153 767 HA ILE 92 HA ILE 92 2.998 3.583 -1.974 768 HB ILE 92 HB ILE 92 2.541 1.878 0.469 769 1HG1 ILE 92 HG12 ILE 92 0.496 3.831 0.155 770 2HG1 ILE 92 HG11 ILE 92 0.609 2.939 -1.359 771 1HG2 ILE 92 HG21 ILE 92 2.106 4.430 1.223 772 2HG2 ILE 92 HG22 ILE 92 3.318 4.673 -0.035 773 3HG2 ILE 92 HG23 ILE 92 3.670 3.624 1.337 774 1HD1 ILE 92 HD11 ILE 92 0.370 0.838 -0.106 775 2HD1 ILE 92 HD12 ILE 92 -1.014 1.914 0.089 776 3HD1 ILE 92 HD13 ILE 92 0.180 1.770 1.379 777 H TYR 93 HN TYR 93 5.108 3.913 -2.223 778 HA TYR 93 HA TYR 93 6.965 2.252 -0.701 779 1HB TYR 93 HB2 TYR 93 8.506 2.266 -2.749 780 2HB TYR 93 HB1 TYR 93 7.155 1.146 -2.753 781 HD1 TYR 93 HD1 TYR 93 8.124 4.539 -3.958 782 HD2 TYR 93 HD2 TYR 93 5.733 1.070 -4.572 783 HE1 TYR 93 HE1 TYR 93 7.406 5.423 -6.135 784 HE2 TYR 93 HE2 TYR 93 5.007 1.949 -6.750 785 HH TYR 93 HH TYR 93 4.880 4.611 -7.712 786 H ALA 94 HN ALA 94 8.654 3.312 0.135 787 HA ALA 94 HA ALA 94 8.850 6.179 -0.477 788 1HB ALA 94 HB1 ALA 94 10.256 5.941 1.803 789 2HB ALA 94 HB2 ALA 94 9.131 4.597 1.999 790 3HB ALA 94 HB3 ALA 94 8.518 6.234 1.759 791 H ASP 95 HN ASP 95 10.436 6.646 -1.831 792 HA ASP 95 HA ASP 95 12.582 6.907 -2.599 793 1HB ASP 95 HB2 ASP 95 13.561 4.744 -0.747 794 2HB ASP 95 HB1 ASP 95 14.461 6.092 -1.435 795 H GLY 96 HN GLY 96 10.563 4.938 -3.491 796 1HA GLY 96 HA2 GLY 96 10.644 3.670 -5.476 797 2HA GLY 96 HA1 GLY 96 12.360 3.405 -5.212 798 H LYS 97 HN LYS 97 11.877 2.587 -2.391 799 HA LYS 97 HA LYS 97 11.173 -0.180 -2.990 800 1HB LYS 97 HB2 LYS 97 12.170 -0.688 -0.799 801 2HB LYS 97 HB1 LYS 97 13.279 0.200 -1.835 802 1HG LYS 97 HG2 LYS 97 11.867 2.126 -0.354 803 2HG LYS 97 HG1 LYS 97 12.325 0.853 0.780 804 1HD LYS 97 HD2 LYS 97 14.631 1.108 -0.580 805 2HD LYS 97 HD1 LYS 97 14.011 2.753 -0.730 806 1HE LYS 97 HE2 LYS 97 13.803 1.592 1.960 807 2HE LYS 97 HE1 LYS 97 15.453 1.823 1.379 808 1HZ LYS 97 HZ1 LYS 97 14.752 3.781 2.525 809 2HZ LYS 97 HZ2 LYS 97 13.340 3.896 1.601 810 3HZ LYS 97 HZ3 LYS 97 14.846 4.150 0.876 811 H MET 98 HN MET 98 9.372 -1.151 -2.307 812 HA MET 98 HA MET 98 7.322 0.400 -1.036 813 1HB MET 98 HB2 MET 98 7.153 -2.565 -1.446 814 2HB MET 98 HB1 MET 98 5.870 -1.367 -1.513 815 1HG MET 98 HG2 MET 98 6.056 -1.573 -3.722 816 2HG MET 98 HG1 MET 98 7.485 -0.557 -3.551 817 1HE MET 98 HE1 MET 98 10.199 -2.203 -4.785 818 2HE MET 98 HE2 MET 98 9.072 -0.847 -4.789 819 3HE MET 98 HE3 MET 98 8.951 -2.098 -6.027 820 H VAL 99 HN VAL 99 6.398 0.107 0.979 821 HA VAL 99 HA VAL 99 8.173 -0.777 3.038 822 HB VAL 99 HB VAL 99 6.365 -0.172 4.594 823 1HG1 VAL 99 HG11 VAL 99 7.426 1.640 2.531 824 2HG1 VAL 99 HG12 VAL 99 7.515 1.741 4.289 825 3HG1 VAL 99 HG13 VAL 99 6.052 2.256 3.450 826 1HG2 VAL 99 HG21 VAL 99 4.316 -0.631 3.729 827 2HG2 VAL 99 HG22 VAL 99 4.782 -0.175 2.091 828 3HG2 VAL 99 HG23 VAL 99 4.404 1.073 3.278 829 H ASN 100 HN ASN 100 5.238 -2.040 1.557 830 HA ASN 100 HA ASN 100 5.010 -4.234 3.403 831 1HB ASN 100 HB2 ASN 100 3.282 -5.041 1.715 832 2HB ASN 100 HB1 ASN 100 2.963 -3.484 2.473 833 1HD2 ASN 100 HD21 ASN 100 4.336 -4.972 -0.417 834 2HD2 ASN 100 HD22 ASN 100 3.916 -3.688 -1.493 835 H GLU 101 HN GLU 101 6.292 -3.736 0.163 836 HA GLU 101 HA GLU 101 6.786 -6.499 -0.352 837 1HB GLU 101 HB2 GLU 101 6.639 -4.373 -1.960 838 2HB GLU 101 HB1 GLU 101 8.383 -4.400 -1.729 839 1HG GLU 101 HG2 GLU 101 7.679 -7.042 -2.275 840 2HG GLU 101 HG1 GLU 101 6.725 -6.063 -3.388 841 H ALA 102 HN ALA 102 8.278 -4.308 1.707 842 HA ALA 102 HA ALA 102 10.945 -5.444 1.434 843 1HB ALA 102 HB1 ALA 102 10.380 -2.962 1.894 844 2HB ALA 102 HB2 ALA 102 11.716 -3.711 2.768 845 3HB ALA 102 HB3 ALA 102 10.155 -3.492 3.561 846 H LEU 103 HN LEU 103 8.144 -5.666 3.490 847 HA LEU 103 HA LEU 103 9.613 -7.468 5.299 848 1HB LEU 103 HB2 LEU 103 7.635 -5.388 5.742 849 2HB LEU 103 HB1 LEU 103 7.142 -6.909 6.455 850 HG LEU 103 HG LEU 103 8.258 -5.744 8.166 851 1HD1 LEU 103 HD11 LEU 103 10.435 -7.503 7.073 852 2HD1 LEU 103 HD12 LEU 103 8.949 -8.149 7.771 853 3HD1 LEU 103 HD13 LEU 103 10.033 -7.168 8.757 854 1HD2 LEU 103 HD21 LEU 103 9.433 -3.989 7.355 855 2HD2 LEU 103 HD22 LEU 103 10.046 -4.894 5.971 856 3HD2 LEU 103 HD23 LEU 103 10.784 -5.104 7.559 857 H VAL 104 HN VAL 104 6.304 -7.013 4.067 858 HA VAL 104 HA VAL 104 5.413 -9.617 4.520 859 HB VAL 104 HB VAL 104 4.433 -7.902 2.248 860 1HG1 VAL 104 HG11 VAL 104 2.536 -9.365 3.925 861 2HG1 VAL 104 HG12 VAL 104 3.677 -10.397 3.064 862 3HG1 VAL 104 HG13 VAL 104 2.660 -9.268 2.168 863 1HG2 VAL 104 HG21 VAL 104 4.126 -7.534 5.190 864 2HG2 VAL 104 HG22 VAL 104 2.766 -7.151 4.134 865 3HG2 VAL 104 HG23 VAL 104 4.311 -6.329 3.916 866 H ARG 105 HN ARG 105 7.489 -8.392 2.080 867 HA ARG 105 HA ARG 105 7.328 -9.649 -0.194 868 1HB ARG 105 HB2 ARG 105 9.884 -10.495 0.445 869 2HB ARG 105 HB1 ARG 105 9.445 -8.930 -0.216 870 1HG ARG 105 HG2 ARG 105 10.040 -7.877 1.647 871 2HG ARG 105 HG1 ARG 105 9.145 -9.000 2.665 872 1HD ARG 105 HD2 ARG 105 11.175 -9.578 3.403 873 2HD ARG 105 HD1 ARG 105 11.221 -10.552 1.933 874 HE ARG 105 HE ARG 105 12.202 -8.176 1.112 875 1HH1 ARG 105 HH11 ARG 105 13.001 -10.272 3.784 876 2HH1 ARG 105 HH12 ARG 105 14.668 -9.803 3.816 877 1HH2 ARG 105 HH21 ARG 105 14.393 -7.558 1.152 878 2HH2 ARG 105 HH22 ARG 105 15.459 -8.263 2.321 879 H GLN 106 HN GLN 106 8.521 -11.504 2.623 880 HA GLN 106 HA GLN 106 7.555 -13.936 1.267 881 1HB GLN 106 HB2 GLN 106 9.410 -15.159 1.960 882 2HB GLN 106 HB1 GLN 106 10.105 -13.606 1.521 883 1HG GLN 106 HG2 GLN 106 9.538 -14.629 4.293 884 2HG GLN 106 HG1 GLN 106 11.114 -14.365 3.549 885 1HE2 GLN 106 HE21 GLN 106 8.522 -12.982 5.269 886 2HE2 GLN 106 HE22 GLN 106 9.127 -11.368 5.364 887 H GLY 107 HN GLY 107 6.674 -11.953 3.606 888 1HA GLY 107 HA2 GLY 107 4.816 -12.699 5.008 889 2HA GLY 107 HA1 GLY 107 5.747 -14.151 5.346 890 H LEU 108 HN LEU 108 7.141 -10.948 5.253 891 HA LEU 108 HA LEU 108 8.049 -9.602 6.841 892 1HB LEU 108 HB2 LEU 108 6.573 -11.149 8.949 893 2HB LEU 108 HB1 LEU 108 7.089 -9.470 8.985 894 HG LEU 108 HG LEU 108 5.070 -10.422 6.988 895 1HD1 LEU 108 HD11 LEU 108 4.282 -9.204 9.607 896 2HD1 LEU 108 HD12 LEU 108 4.469 -10.949 9.442 897 3HD1 LEU 108 HD13 LEU 108 3.295 -10.092 8.445 898 1HD2 LEU 108 HD21 LEU 108 5.839 -8.302 6.426 899 2HD2 LEU 108 HD22 LEU 108 5.939 -7.782 8.110 900 3HD2 LEU 108 HD23 LEU 108 4.365 -7.974 7.338 901 H ALA 109 HN ALA 109 10.142 -10.030 6.882 902 HA ALA 109 HA ALA 109 11.139 -12.480 8.101 903 1HB ALA 109 HB1 ALA 109 12.553 -12.292 6.392 904 2HB ALA 109 HB2 ALA 109 13.321 -10.974 7.276 905 3HB ALA 109 HB3 ALA 109 12.067 -10.625 6.084 906 H LYS 110 HN LYS 110 12.017 -12.587 10.071 907 HA LYS 110 HA LYS 110 12.800 -10.079 11.399 908 1HB LYS 110 HB2 LYS 110 11.329 -12.381 12.695 909 2HB LYS 110 HB1 LYS 110 11.863 -10.912 13.499 910 1HG LYS 110 HG2 LYS 110 10.379 -9.634 11.925 911 2HG LYS 110 HG1 LYS 110 9.728 -11.189 11.403 912 1HD LYS 110 HD2 LYS 110 9.264 -11.626 13.878 913 2HD LYS 110 HD1 LYS 110 9.559 -9.902 14.114 914 1HE LYS 110 HE2 LYS 110 7.184 -10.321 13.859 915 2HE LYS 110 HE1 LYS 110 7.791 -9.391 12.490 916 1HZ LYS 110 HZ1 LYS 110 6.251 -11.480 12.165 917 2HZ LYS 110 HZ2 LYS 110 7.726 -12.304 12.239 918 3HZ LYS 110 HZ3 LYS 110 7.482 -11.113 11.062 Start of MODEL 5 1 1H ALA 1 HT1 ALA 1 -4.893 -13.645 -24.843 2 2H ALA 1 HT2 ALA 1 -3.436 -12.741 -24.785 3 3H ALA 1 HT3 ALA 1 -4.710 -12.389 -23.692 4 HA ALA 1 HA ALA 1 -4.444 -14.793 -22.976 5 1HB ALA 1 HB1 ALA 1 -1.809 -15.169 -23.162 6 2HB ALA 1 HB2 ALA 1 -2.075 -14.312 -24.680 7 3HB ALA 1 HB3 ALA 1 -2.951 -15.806 -24.346 8 H THR 2 HN THR 2 -2.097 -12.116 -23.133 9 HA THR 2 HA THR 2 -2.305 -11.884 -20.209 10 HB THR 2 HB THR 2 0.222 -11.076 -20.532 11 HG1 THR 2 HG1 THR 2 0.039 -11.648 -22.832 12 1HG2 THR 2 HG21 THR 2 0.960 -13.458 -20.090 13 2HG2 THR 2 HG22 THR 2 -0.747 -13.890 -20.181 14 3HG2 THR 2 HG23 THR 2 -0.189 -12.752 -18.953 15 H SER 3 HN SER 3 -3.047 -9.947 -19.679 16 HA SER 3 HA SER 3 -2.535 -7.692 -21.500 17 1HB SER 3 HB2 SER 3 -4.765 -8.042 -19.481 18 2HB SER 3 HB1 SER 3 -4.553 -6.655 -20.550 19 HG SER 3 HG SER 3 -6.058 -8.277 -21.314 20 H THR 4 HN THR 4 -1.311 -6.064 -20.813 21 HA THR 4 HA THR 4 -0.584 -5.981 -17.967 22 HB THR 4 HB THR 4 1.321 -4.509 -18.853 23 HG1 THR 4 HG1 THR 4 0.585 -5.712 -21.308 24 1HG2 THR 4 HG21 THR 4 2.138 -6.814 -20.179 25 2HG2 THR 4 HG22 THR 4 1.046 -7.366 -18.908 26 3HG2 THR 4 HG23 THR 4 2.447 -6.375 -18.499 27 H LYS 5 HN LYS 5 -1.102 -4.281 -16.731 28 HA LYS 5 HA LYS 5 -2.600 -2.101 -17.976 29 1HB LYS 5 HB2 LYS 5 -2.678 -3.473 -15.413 30 2HB LYS 5 HB1 LYS 5 -2.659 -1.726 -15.216 31 1HG LYS 5 HG2 LYS 5 -4.732 -1.474 -16.046 32 2HG LYS 5 HG1 LYS 5 -4.519 -2.744 -17.253 33 1HD LYS 5 HD2 LYS 5 -4.499 -4.198 -14.965 34 2HD LYS 5 HD1 LYS 5 -5.593 -2.887 -14.517 35 1HE LYS 5 HE2 LYS 5 -7.066 -4.392 -15.437 36 2HE LYS 5 HE1 LYS 5 -6.676 -3.402 -16.843 37 1HZ LYS 5 HZ1 LYS 5 -5.636 -6.092 -16.169 38 2HZ LYS 5 HZ2 LYS 5 -4.925 -5.114 -17.351 39 3HZ LYS 5 HZ3 LYS 5 -6.525 -5.630 -17.533 40 H LYS 6 HN LYS 6 -1.746 -0.159 -18.281 41 HA LYS 6 HA LYS 6 0.667 0.568 -16.752 42 1HB LYS 6 HB2 LYS 6 -0.049 1.113 -19.628 43 2HB LYS 6 HB1 LYS 6 1.204 2.014 -18.785 44 1HG LYS 6 HG2 LYS 6 1.264 -0.977 -18.897 45 2HG LYS 6 HG1 LYS 6 1.894 0.006 -20.221 46 1HD LYS 6 HD2 LYS 6 2.801 0.814 -17.547 47 2HD LYS 6 HD1 LYS 6 3.339 -0.788 -18.057 48 1HE LYS 6 HE2 LYS 6 4.589 0.031 -19.791 49 2HE LYS 6 HE1 LYS 6 3.575 1.461 -19.989 50 1HZ LYS 6 HZ1 LYS 6 5.676 2.118 -19.100 51 2HZ LYS 6 HZ2 LYS 6 5.576 0.983 -17.849 52 3HZ LYS 6 HZ3 LYS 6 4.517 2.301 -17.881 53 H LEU 7 HN LEU 7 0.166 2.058 -15.293 54 HA LEU 7 HA LEU 7 -1.687 4.210 -16.078 55 1HB LEU 7 HB2 LEU 7 -2.089 4.399 -13.547 56 2HB LEU 7 HB1 LEU 7 -2.870 3.099 -14.423 57 HG LEU 7 HG LEU 7 -1.918 2.471 -12.189 58 1HD1 LEU 7 HD11 LEU 7 -0.400 0.720 -13.930 59 2HD1 LEU 7 HD12 LEU 7 -2.016 1.050 -14.555 60 3HD1 LEU 7 HD13 LEU 7 -1.815 0.381 -12.935 61 1HD2 LEU 7 HD21 LEU 7 0.186 3.900 -12.644 62 2HD2 LEU 7 HD22 LEU 7 0.772 2.474 -13.498 63 3HD2 LEU 7 HD23 LEU 7 0.361 2.369 -11.788 64 H HIS 8 HN HIS 8 -1.303 6.299 -15.098 65 HA HIS 8 HA HIS 8 1.451 7.012 -15.174 66 1HB HIS 8 HB2 HIS 8 0.545 9.287 -14.444 67 2HB HIS 8 HB1 HIS 8 -0.052 8.650 -15.972 68 HD1 HIS 8 HD1 HIS 8 -2.487 8.916 -16.236 69 HD2 HIS 8 HD2 HIS 8 -1.411 8.524 -12.242 70 HE1 HIS 8 HE1 HIS 8 -4.632 9.111 -14.940 71 HE2 HIS 8 HE2 HIS 8 -3.969 8.770 -12.534 72 H LYS 9 HN LYS 9 2.291 8.558 -13.374 73 HA LYS 9 HA LYS 9 2.107 7.064 -10.860 74 1HB LYS 9 HB2 LYS 9 4.200 8.691 -12.191 75 2HB LYS 9 HB1 LYS 9 4.155 8.755 -10.435 76 1HG LYS 9 HG2 LYS 9 4.479 6.300 -12.145 77 2HG LYS 9 HG1 LYS 9 5.704 7.065 -11.131 78 1HD LYS 9 HD2 LYS 9 5.049 5.823 -9.411 79 2HD LYS 9 HD1 LYS 9 3.443 6.547 -9.500 80 1HE LYS 9 HE2 LYS 9 4.404 4.106 -10.990 81 2HE LYS 9 HE1 LYS 9 3.286 4.132 -9.627 82 1HZ LYS 9 HZ1 LYS 9 1.617 5.072 -10.913 83 2HZ LYS 9 HZ2 LYS 9 2.326 3.960 -11.972 84 3HZ LYS 9 HZ3 LYS 9 2.682 5.607 -12.113 85 H GLU 10 HN GLU 10 2.080 8.224 -8.831 86 HA GLU 10 HA GLU 10 1.235 10.996 -8.868 87 1HB GLU 10 HB2 GLU 10 -0.568 8.763 -7.942 88 2HB GLU 10 HB1 GLU 10 -0.795 10.438 -7.457 89 1HG GLU 10 HG2 GLU 10 -0.962 9.294 -10.231 90 2HG GLU 10 HG1 GLU 10 -2.264 9.993 -9.269 91 HA PRO 11 HA PRO 11 3.597 10.341 -5.087 92 1HB PRO 11 HB2 PRO 11 4.499 12.833 -4.808 93 2HB PRO 11 HB1 PRO 11 5.125 11.774 -6.079 94 1HG PRO 11 HG2 PRO 11 3.153 14.007 -6.272 95 2HG PRO 11 HG1 PRO 11 4.436 13.542 -7.402 96 1HD PRO 11 HD2 PRO 11 1.741 12.882 -7.652 97 2HD PRO 11 HD1 PRO 11 3.079 12.071 -8.485 98 H ALA 12 HN ALA 12 2.271 10.024 -3.383 99 HA ALA 12 HA ALA 12 0.807 12.359 -2.338 100 1HB ALA 12 HB1 ALA 12 -0.832 10.822 -3.092 101 2HB ALA 12 HB2 ALA 12 -0.774 10.669 -1.336 102 3HB ALA 12 HB3 ALA 12 0.007 9.460 -2.353 103 H THR 13 HN THR 13 0.607 12.464 0.003 104 HA THR 13 HA THR 13 2.983 11.344 1.291 105 HB THR 13 HB THR 13 1.147 13.417 2.469 106 HG1 THR 13 HG1 THR 13 2.150 14.952 1.359 107 1HG2 THR 13 HG21 THR 13 3.933 12.515 2.997 108 2HG2 THR 13 HG22 THR 13 2.628 12.870 4.127 109 3HG2 THR 13 HG23 THR 13 3.478 14.188 3.323 110 H LEU 14 HN LEU 14 2.657 9.445 2.208 111 HA LEU 14 HA LEU 14 0.136 8.603 3.286 112 1HB LEU 14 HB2 LEU 14 1.886 7.128 2.196 113 2HB LEU 14 HB1 LEU 14 2.847 7.336 3.639 114 HG LEU 14 HG LEU 14 1.888 5.305 4.072 115 1HD1 LEU 14 HD11 LEU 14 -0.201 7.210 5.108 116 2HD1 LEU 14 HD12 LEU 14 1.282 6.726 5.929 117 3HD1 LEU 14 HD13 LEU 14 0.011 5.540 5.631 118 1HD2 LEU 14 HD21 LEU 14 0.050 4.426 3.083 119 2HD2 LEU 14 HD22 LEU 14 0.394 5.711 1.928 120 3HD2 LEU 14 HD23 LEU 14 -0.854 5.938 3.153 121 H ILE 15 HN ILE 15 -0.556 9.521 5.135 122 HA ILE 15 HA ILE 15 1.273 10.560 7.077 123 HB ILE 15 HB ILE 15 -0.713 11.037 8.450 124 1HG1 ILE 15 HG12 ILE 15 -2.924 10.667 7.022 125 2HG1 ILE 15 HG11 ILE 15 -2.006 9.300 6.404 126 1HG2 ILE 15 HG21 ILE 15 0.105 12.310 6.244 127 2HG2 ILE 15 HG22 ILE 15 -1.245 12.867 7.232 128 3HG2 ILE 15 HG23 ILE 15 -1.551 11.939 5.764 129 1HD1 ILE 15 HD11 ILE 15 -1.700 9.215 9.174 130 2HD1 ILE 15 HD12 ILE 15 -2.680 8.152 8.164 131 3HD1 ILE 15 HD13 ILE 15 -3.400 9.590 8.890 132 H LYS 16 HN LYS 16 -0.934 7.746 7.022 133 HA LYS 16 HA LYS 16 0.807 6.113 8.480 134 1HB LYS 16 HB2 LYS 16 0.012 6.098 10.686 135 2HB LYS 16 HB1 LYS 16 0.156 7.801 10.283 136 1HG LYS 16 HG2 LYS 16 -1.970 8.132 10.794 137 2HG LYS 16 HG1 LYS 16 -2.477 6.916 9.622 138 1HD LYS 16 HD2 LYS 16 -1.785 5.225 11.471 139 2HD LYS 16 HD1 LYS 16 -1.927 6.618 12.547 140 1HE LYS 16 HE2 LYS 16 -4.226 6.949 11.874 141 2HE LYS 16 HE1 LYS 16 -4.097 5.650 10.689 142 1HZ LYS 16 HZ1 LYS 16 -4.471 5.505 13.558 143 2HZ LYS 16 HZ2 LYS 16 -3.374 4.385 12.925 144 3HZ LYS 16 HZ3 LYS 16 -4.961 4.432 12.345 145 H ALA 17 HN ALA 17 -0.391 4.172 9.483 146 HA ALA 17 HA ALA 17 -2.369 3.301 7.517 147 1HB ALA 17 HB1 ALA 17 -0.197 2.047 8.857 148 2HB ALA 17 HB2 ALA 17 -1.237 1.394 7.591 149 3HB ALA 17 HB3 ALA 17 -1.681 1.196 9.287 150 H ILE 18 HN ILE 18 -4.362 2.377 8.099 151 HA ILE 18 HA ILE 18 -5.325 3.230 10.739 152 HB ILE 18 HB ILE 18 -6.991 2.486 8.336 153 1HG1 ILE 18 HG12 ILE 18 -6.497 5.289 9.312 154 2HG1 ILE 18 HG11 ILE 18 -5.424 4.536 8.135 155 1HG2 ILE 18 HG21 ILE 18 -7.767 2.595 10.918 156 2HG2 ILE 18 HG22 ILE 18 -8.824 2.956 9.554 157 3HG2 ILE 18 HG23 ILE 18 -8.035 4.267 10.431 158 1HD1 ILE 18 HD11 ILE 18 -8.028 4.119 7.191 159 2HD1 ILE 18 HD12 ILE 18 -6.799 5.204 6.543 160 3HD1 ILE 18 HD13 ILE 18 -7.957 5.794 7.735 161 H ASP 19 HN ASP 19 -6.326 0.647 8.479 162 HA ASP 19 HA ASP 19 -6.390 -1.185 10.788 163 1HB ASP 19 HB2 ASP 19 -8.527 -0.403 9.244 164 2HB ASP 19 HB1 ASP 19 -8.065 -1.930 8.500 165 H GLY 20 HN GLY 20 -4.035 -0.887 9.326 166 1HA GLY 20 HA2 GLY 20 -2.425 -2.403 8.601 167 2HA GLY 20 HA1 GLY 20 -3.688 -3.610 8.405 168 H ASP 21 HN ASP 21 -5.367 -2.731 6.607 169 HA ASP 21 HA ASP 21 -3.720 -2.415 4.211 170 1HB ASP 21 HB2 ASP 21 -6.585 -3.297 4.603 171 2HB ASP 21 HB1 ASP 21 -5.855 -3.049 3.020 172 H THR 22 HN THR 22 -6.411 -0.953 5.945 173 HA THR 22 HA THR 22 -6.816 1.123 3.996 174 HB THR 22 HB THR 22 -7.787 1.545 6.757 175 HG1 THR 22 HG1 THR 22 -8.834 -0.580 5.206 176 1HG2 THR 22 HG21 THR 22 -8.592 2.239 4.126 177 2HG2 THR 22 HG22 THR 22 -9.266 2.763 5.669 178 3HG2 THR 22 HG23 THR 22 -9.883 1.309 4.886 179 H VAL 23 HN VAL 23 -5.209 2.545 3.702 180 HA VAL 23 HA VAL 23 -4.054 3.816 6.096 181 HB VAL 23 HB VAL 23 -1.928 4.075 4.860 182 1HG1 VAL 23 HG11 VAL 23 -2.844 1.881 6.215 183 2HG1 VAL 23 HG12 VAL 23 -1.172 2.152 5.723 184 3HG1 VAL 23 HG13 VAL 23 -2.240 1.172 4.718 185 1HG2 VAL 23 HG21 VAL 23 -3.438 3.421 2.639 186 2HG2 VAL 23 HG22 VAL 23 -2.452 1.983 2.910 187 3HG2 VAL 23 HG23 VAL 23 -1.681 3.555 2.702 188 H LYS 24 HN LYS 24 -3.712 6.014 6.015 189 HA LYS 24 HA LYS 24 -5.236 7.439 4.019 190 1HB LYS 24 HB2 LYS 24 -5.465 8.218 6.264 191 2HB LYS 24 HB1 LYS 24 -3.724 8.324 6.473 192 1HG LYS 24 HG2 LYS 24 -4.626 10.532 6.213 193 2HG LYS 24 HG1 LYS 24 -3.667 10.131 4.783 194 1HD LYS 24 HD2 LYS 24 -5.594 11.086 3.890 195 2HD LYS 24 HD1 LYS 24 -5.914 9.356 3.776 196 1HE LYS 24 HE2 LYS 24 -7.565 9.423 5.320 197 2HE LYS 24 HE1 LYS 24 -6.762 10.667 6.278 198 1HZ LYS 24 HZ1 LYS 24 -7.492 12.332 4.738 199 2HZ LYS 24 HZ2 LYS 24 -8.837 11.429 5.223 200 3HZ LYS 24 HZ3 LYS 24 -8.149 11.169 3.700 201 H LEU 25 HN LEU 25 -4.454 8.859 2.510 202 HA LEU 25 HA LEU 25 -1.555 9.163 2.227 203 1HB LEU 25 HB2 LEU 25 -3.338 7.632 0.497 204 2HB LEU 25 HB1 LEU 25 -2.401 8.825 -0.371 205 HG LEU 25 HG LEU 25 -0.825 7.183 1.475 206 1HD1 LEU 25 HD11 LEU 25 -0.975 5.139 0.391 207 2HD1 LEU 25 HD12 LEU 25 -1.747 5.837 -1.033 208 3HD1 LEU 25 HD13 LEU 25 -2.660 5.655 0.467 209 1HD2 LEU 25 HD21 LEU 25 0.027 8.820 -0.235 210 2HD2 LEU 25 HD22 LEU 25 -0.501 7.680 -1.472 211 3HD2 LEU 25 HD23 LEU 25 0.739 7.208 -0.312 212 H MET 26 HN MET 26 -1.153 11.294 2.022 213 HA MET 26 HA MET 26 -3.198 13.181 1.257 214 1HB MET 26 HB2 MET 26 -0.965 13.440 2.732 215 2HB MET 26 HB1 MET 26 -0.311 13.936 1.176 216 1HG MET 26 HG2 MET 26 -2.566 15.404 1.234 217 2HG MET 26 HG1 MET 26 -2.211 15.301 2.958 218 1HE MET 26 HE1 MET 26 -2.196 17.563 3.163 219 2HE MET 26 HE2 MET 26 -1.819 18.549 1.751 220 3HE MET 26 HE3 MET 26 -0.705 18.504 3.118 221 H TYR 27 HN TYR 27 -3.881 12.840 -0.804 222 HA TYR 27 HA TYR 27 -1.933 12.451 -2.933 223 1HB TYR 27 HB2 TYR 27 -3.829 10.924 -2.784 224 2HB TYR 27 HB1 TYR 27 -4.946 12.272 -2.921 225 HD1 TYR 27 HD1 TYR 27 -3.078 9.809 -4.683 226 HD2 TYR 27 HD2 TYR 27 -4.884 13.635 -5.079 227 HE1 TYR 27 HE1 TYR 27 -3.115 9.526 -7.124 228 HE2 TYR 27 HE2 TYR 27 -4.932 13.375 -7.514 229 HH TYR 27 HH TYR 27 -4.878 11.617 -9.187 230 H LYS 28 HN LYS 28 -1.092 14.251 -3.732 231 HA LYS 28 HA LYS 28 -0.864 16.396 -4.484 232 1HB LYS 28 HB2 LYS 28 -3.283 15.296 -5.852 233 2HB LYS 28 HB1 LYS 28 -2.825 16.969 -6.137 234 1HG LYS 28 HG2 LYS 28 -0.956 14.645 -6.523 235 2HG LYS 28 HG1 LYS 28 -1.956 15.326 -7.807 236 1HD LYS 28 HD2 LYS 28 -0.131 17.073 -6.195 237 2HD LYS 28 HD1 LYS 28 0.487 16.139 -7.558 238 1HE LYS 28 HE2 LYS 28 -1.910 17.926 -7.826 239 2HE LYS 28 HE1 LYS 28 -0.268 18.549 -7.995 240 1HZ LYS 28 HZ1 LYS 28 -1.636 17.652 -10.044 241 2HZ LYS 28 HZ2 LYS 28 -0.979 16.176 -9.545 242 3HZ LYS 28 HZ3 LYS 28 0.043 17.462 -9.947 243 H GLY 29 HN GLY 29 -1.734 16.569 -1.941 244 1HA GLY 29 HA2 GLY 29 -2.461 18.344 -0.615 245 2HA GLY 29 HA1 GLY 29 -3.258 19.035 -2.020 246 H GLN 30 HN GLN 30 -4.411 16.120 -2.307 247 HA GLN 30 HA GLN 30 -6.561 16.508 -0.339 248 1HB GLN 30 HB2 GLN 30 -7.945 16.772 -2.076 249 2HB GLN 30 HB1 GLN 30 -6.660 16.415 -3.214 250 1HG GLN 30 HG2 GLN 30 -7.962 14.105 -1.889 251 2HG GLN 30 HG1 GLN 30 -8.906 15.008 -3.066 252 1HE2 GLN 30 HE21 GLN 30 -7.449 12.295 -2.924 253 2HE2 GLN 30 HE22 GLN 30 -6.646 12.210 -4.450 254 HA PRO 31 HA PRO 31 -4.741 12.493 0.770 255 1HB PRO 31 HB2 PRO 31 -6.374 12.925 3.185 256 2HB PRO 31 HB1 PRO 31 -4.645 12.595 3.040 257 1HG PRO 31 HG2 PRO 31 -5.531 15.019 3.725 258 2HG PRO 31 HG1 PRO 31 -4.116 14.819 2.674 259 1HD PRO 31 HD2 PRO 31 -6.934 15.481 1.935 260 2HD PRO 31 HD1 PRO 31 -5.430 16.194 1.331 261 H MET 32 HN MET 32 -5.496 10.481 0.682 262 HA MET 32 HA MET 32 -8.350 9.933 0.937 263 1HB MET 32 HB2 MET 32 -6.730 9.561 -1.570 264 2HB MET 32 HB1 MET 32 -8.093 8.506 -1.223 265 1HG MET 32 HG2 MET 32 -8.353 11.493 -1.247 266 2HG MET 32 HG1 MET 32 -8.517 10.520 -2.707 267 1HE MET 32 HE1 MET 32 -10.458 10.343 -3.591 268 2HE MET 32 HE2 MET 32 -11.431 11.589 -2.811 269 3HE MET 32 HE3 MET 32 -12.022 9.929 -2.888 270 H THR 33 HN THR 33 -8.788 7.706 1.331 271 HA THR 33 HA THR 33 -6.549 6.345 2.577 272 HB THR 33 HB THR 33 -9.360 5.292 2.421 273 HG1 THR 33 HG1 THR 33 -9.644 7.349 3.171 274 1HG2 THR 33 HG21 THR 33 -7.651 3.853 3.443 275 2HG2 THR 33 HG22 THR 33 -8.895 4.357 4.587 276 3HG2 THR 33 HG23 THR 33 -7.309 5.127 4.613 277 H PHE 34 HN PHE 34 -5.357 4.863 1.555 278 HA PHE 34 HA PHE 34 -6.531 3.565 -0.800 279 1HB PHE 34 HB2 PHE 34 -3.616 4.011 -0.156 280 2HB PHE 34 HB1 PHE 34 -4.226 3.178 -1.583 281 HD1 PHE 34 HD1 PHE 34 -4.849 6.395 0.184 282 HD2 PHE 34 HD2 PHE 34 -4.206 4.394 -3.515 283 HE1 PHE 34 HE1 PHE 34 -4.979 8.548 -0.989 284 HE2 PHE 34 HE2 PHE 34 -4.331 6.552 -4.699 285 HZ PHE 34 HZ PHE 34 -4.723 8.632 -3.434 286 H ARG 35 HN ARG 35 -6.924 1.473 -0.751 287 HA ARG 35 HA ARG 35 -5.862 -0.111 1.473 288 1HB ARG 35 HB2 ARG 35 -8.268 -0.170 1.259 289 2HB ARG 35 HB1 ARG 35 -8.151 -0.594 -0.441 290 1HG ARG 35 HG2 ARG 35 -8.324 -2.717 0.165 291 2HG ARG 35 HG1 ARG 35 -6.716 -2.579 0.879 292 1HD ARG 35 HD2 ARG 35 -7.652 -1.995 3.012 293 2HD ARG 35 HD1 ARG 35 -9.274 -1.910 2.326 294 HE ARG 35 HE ARG 35 -8.409 -4.464 1.820 295 1HH1 ARG 35 HH11 ARG 35 -8.864 -2.497 4.666 296 2HH1 ARG 35 HH12 ARG 35 -9.213 -3.843 5.695 297 1HH2 ARG 35 HH21 ARG 35 -8.868 -6.238 3.172 298 2HH2 ARG 35 HH22 ARG 35 -9.216 -5.969 4.847 299 H LEU 36 HN LEU 36 -4.139 -1.342 1.092 300 HA LEU 36 HA LEU 36 -3.057 -1.733 -1.483 301 1HB LEU 36 HB2 LEU 36 -2.332 -3.628 0.689 302 2HB LEU 36 HB1 LEU 36 -1.306 -2.801 -0.466 303 HG LEU 36 HG LEU 36 -2.480 -1.681 2.073 304 1HD1 LEU 36 HD11 LEU 36 0.234 -2.462 1.127 305 2HD1 LEU 36 HD12 LEU 36 -0.546 -2.751 2.682 306 3HD1 LEU 36 HD13 LEU 36 0.070 -1.146 2.289 307 1HD2 LEU 36 HD21 LEU 36 -2.707 0.123 0.606 308 2HD2 LEU 36 HD22 LEU 36 -1.229 -0.281 -0.265 309 3HD2 LEU 36 HD23 LEU 36 -1.138 0.385 1.364 310 H LEU 37 HN LEU 37 -2.654 -3.812 -2.545 311 HA LEU 37 HA LEU 37 -4.996 -5.569 -2.295 312 1HB LEU 37 HB2 LEU 37 -4.419 -6.239 -4.672 313 2HB LEU 37 HB1 LEU 37 -5.053 -4.627 -4.438 314 HG LEU 37 HG LEU 37 -3.119 -4.915 -6.076 315 1HD1 LEU 37 HD11 LEU 37 -3.565 -2.868 -4.045 316 2HD1 LEU 37 HD12 LEU 37 -3.359 -2.722 -5.788 317 3HD1 LEU 37 HD13 LEU 37 -1.945 -2.847 -4.742 318 1HD2 LEU 37 HD21 LEU 37 -1.796 -6.377 -4.522 319 2HD2 LEU 37 HD22 LEU 37 -1.459 -4.936 -3.566 320 3HD2 LEU 37 HD23 LEU 37 -0.903 -5.036 -5.236 321 H LEU 38 HN LEU 38 -4.222 -7.780 -3.647 322 HA LEU 38 HA LEU 38 -3.059 -9.730 -3.505 323 1HB LEU 38 HB2 LEU 38 -1.126 -8.177 -4.030 324 2HB LEU 38 HB1 LEU 38 -0.797 -8.137 -2.310 325 HG LEU 38 HG LEU 38 -0.408 -10.562 -2.319 326 1HD1 LEU 38 HD11 LEU 38 -1.372 -10.271 -5.099 327 2HD1 LEU 38 HD12 LEU 38 -1.567 -11.605 -3.961 328 3HD1 LEU 38 HD13 LEU 38 -0.044 -11.401 -4.827 329 1HD2 LEU 38 HD21 LEU 38 1.616 -9.544 -2.531 330 2HD2 LEU 38 HD22 LEU 38 1.159 -8.692 -4.007 331 3HD2 LEU 38 HD23 LEU 38 1.579 -10.403 -4.071 332 H VAL 39 HN VAL 39 -3.634 -11.207 -2.069 333 HA VAL 39 HA VAL 39 -3.238 -10.617 0.793 334 HB VAL 39 HB VAL 39 -5.438 -12.340 -0.352 335 1HG1 VAL 39 HG11 VAL 39 -6.326 -12.392 1.854 336 2HG1 VAL 39 HG12 VAL 39 -5.161 -11.195 2.418 337 3HG1 VAL 39 HG13 VAL 39 -4.618 -12.813 1.975 338 1HG2 VAL 39 HG21 VAL 39 -6.180 -9.825 0.955 339 2HG2 VAL 39 HG22 VAL 39 -6.814 -10.574 -0.510 340 3HG2 VAL 39 HG23 VAL 39 -5.331 -9.623 -0.577 341 H ASP 40 HN ASP 40 -1.579 -11.794 1.476 342 HA ASP 40 HA ASP 40 -1.363 -14.588 0.565 343 1HB ASP 40 HB2 ASP 40 0.556 -12.511 0.540 344 2HB ASP 40 HB1 ASP 40 1.056 -13.632 1.803 345 H THR 41 HN THR 41 0.501 -15.418 2.504 346 HA THR 41 HA THR 41 -1.278 -15.902 4.708 347 HB THR 41 HB THR 41 0.213 -17.663 3.884 348 HG1 THR 41 HG1 THR 41 -0.361 -17.706 6.088 349 1HG2 THR 41 HG21 THR 41 2.581 -17.639 4.234 350 2HG2 THR 41 HG22 THR 41 2.499 -16.035 4.962 351 3HG2 THR 41 HG23 THR 41 2.132 -16.247 3.250 352 HA PRO 42 HA PRO 42 0.322 -12.710 7.339 353 1HB PRO 42 HB2 PRO 42 -0.439 -13.927 9.769 354 2HB PRO 42 HB1 PRO 42 -1.405 -12.817 8.792 355 1HG PRO 42 HG2 PRO 42 -1.917 -15.553 9.247 356 2HG PRO 42 HG1 PRO 42 -2.723 -14.512 8.067 357 1HD PRO 42 HD2 PRO 42 -0.566 -16.507 7.668 358 2HD PRO 42 HD1 PRO 42 -1.824 -15.959 6.543 359 H GLU 43 HN GLU 43 2.444 -12.492 7.541 360 HA GLU 43 HA GLU 43 4.617 -12.826 8.110 361 1HB GLU 43 HB2 GLU 43 5.040 -13.126 10.441 362 2HB GLU 43 HB1 GLU 43 3.565 -12.185 10.281 363 1HG GLU 43 HG2 GLU 43 2.214 -13.974 10.941 364 2HG GLU 43 HG1 GLU 43 3.496 -15.154 10.675 365 H THR 44 HN THR 44 3.107 -15.194 6.925 366 HA THR 44 HA THR 44 4.929 -17.308 7.860 367 HB THR 44 HB THR 44 2.644 -18.101 6.176 368 HG1 THR 44 HG1 THR 44 2.250 -17.084 8.792 369 1HG2 THR 44 HG21 THR 44 3.057 -20.045 7.129 370 2HG2 THR 44 HG22 THR 44 2.691 -19.364 8.714 371 3HG2 THR 44 HG23 THR 44 4.337 -19.299 8.086 372 H LYS 45 HN LYS 45 4.582 -19.038 5.659 373 HA LYS 45 HA LYS 45 5.289 -17.588 3.261 374 1HB LYS 45 HB2 LYS 45 7.483 -18.590 2.988 375 2HB LYS 45 HB1 LYS 45 7.429 -17.670 4.486 376 1HG LYS 45 HG2 LYS 45 7.073 -19.773 5.726 377 2HG LYS 45 HG1 LYS 45 7.234 -20.663 4.210 378 1HD LYS 45 HD2 LYS 45 9.494 -19.380 4.017 379 2HD LYS 45 HD1 LYS 45 9.303 -19.156 5.758 380 1HE LYS 45 HE2 LYS 45 8.743 -21.863 5.244 381 2HE LYS 45 HE1 LYS 45 10.181 -21.471 4.303 382 1HZ LYS 45 HZ1 LYS 45 11.200 -21.915 6.242 383 2HZ LYS 45 HZ2 LYS 45 9.829 -21.603 7.181 384 3HZ LYS 45 HZ3 LYS 45 10.780 -20.321 6.624 385 H HIS 46 HN HIS 46 3.261 -19.514 4.181 386 HA HIS 46 HA HIS 46 3.796 -21.682 2.258 387 1HB HIS 46 HB2 HIS 46 2.934 -21.783 5.009 388 2HB HIS 46 HB1 HIS 46 1.707 -22.496 3.967 389 HD1 HIS 46 HD1 HIS 46 2.509 -24.707 5.350 390 HD2 HIS 46 HD2 HIS 46 5.157 -23.171 2.539 391 HE1 HIS 46 HE1 HIS 46 4.139 -26.563 4.878 392 HE2 HIS 46 HE2 HIS 46 5.680 -25.640 3.110 393 HA PRO 47 HA PRO 47 0.184 -20.725 -0.068 394 1HB PRO 47 HB2 PRO 47 -1.054 -23.357 0.458 395 2HB PRO 47 HB1 PRO 47 -0.541 -22.641 -1.073 396 1HG PRO 47 HG2 PRO 47 0.822 -24.653 0.047 397 2HG PRO 47 HG1 PRO 47 1.646 -23.345 -0.823 398 1HD PRO 47 HD2 PRO 47 1.344 -23.764 2.128 399 2HD PRO 47 HD1 PRO 47 2.760 -23.211 1.208 400 H LYS 48 HN LYS 48 -0.324 -19.342 1.943 401 HA LYS 48 HA LYS 48 -2.951 -20.160 2.992 402 1HB LYS 48 HB2 LYS 48 -0.655 -19.673 4.481 403 2HB LYS 48 HB1 LYS 48 -1.575 -18.182 4.626 404 1HG LYS 48 HG2 LYS 48 -3.165 -19.129 5.897 405 2HG LYS 48 HG1 LYS 48 -3.125 -20.649 5.002 406 1HD LYS 48 HD2 LYS 48 -0.730 -20.788 6.182 407 2HD LYS 48 HD1 LYS 48 -1.569 -19.792 7.372 408 1HE LYS 48 HE2 LYS 48 -3.438 -21.657 7.012 409 2HE LYS 48 HE1 LYS 48 -2.019 -22.618 6.593 410 1HZ LYS 48 HZ1 LYS 48 -2.407 -22.875 8.903 411 2HZ LYS 48 HZ2 LYS 48 -2.546 -21.207 9.148 412 3HZ LYS 48 HZ3 LYS 48 -1.046 -21.881 8.751 413 H LYS 49 HN LYS 49 -4.272 -18.240 3.714 414 HA LYS 49 HA LYS 49 -3.829 -15.933 1.943 415 1HB LYS 49 HB2 LYS 49 -6.076 -17.785 2.025 416 2HB LYS 49 HB1 LYS 49 -6.587 -16.117 2.247 417 1HG LYS 49 HG2 LYS 49 -6.582 -15.973 0.031 418 2HG LYS 49 HG1 LYS 49 -4.822 -15.946 0.146 419 1HD LYS 49 HD2 LYS 49 -5.943 -18.640 0.244 420 2HD LYS 49 HD1 LYS 49 -6.319 -17.783 -1.252 421 1HE LYS 49 HE2 LYS 49 -4.181 -17.815 -1.957 422 2HE LYS 49 HE1 LYS 49 -3.538 -17.528 -0.342 423 1HZ LYS 49 HZ1 LYS 49 -4.402 -19.990 -0.024 424 2HZ LYS 49 HZ2 LYS 49 -2.861 -19.654 -0.632 425 3HZ LYS 49 HZ3 LYS 49 -4.119 -20.050 -1.691 426 H GLY 50 HN GLY 50 -5.797 -14.280 2.677 427 1HA GLY 50 HA2 GLY 50 -6.357 -12.722 4.267 428 2HA GLY 50 HA1 GLY 50 -6.450 -14.079 5.380 429 H VAL 51 HN VAL 51 -4.599 -11.381 4.308 430 HA VAL 51 HA VAL 51 -2.165 -12.018 5.645 431 HB VAL 51 HB VAL 51 -3.153 -9.249 4.970 432 1HG1 VAL 51 HG11 VAL 51 -0.501 -9.235 4.519 433 2HG1 VAL 51 HG12 VAL 51 -0.587 -10.436 5.808 434 3HG1 VAL 51 HG13 VAL 51 -1.230 -8.814 6.069 435 1HG2 VAL 51 HG21 VAL 51 -1.458 -10.018 2.935 436 2HG2 VAL 51 HG22 VAL 51 -3.215 -9.908 2.838 437 3HG2 VAL 51 HG23 VAL 51 -2.448 -11.452 3.208 438 H GLU 52 HN GLU 52 -3.028 -12.722 7.706 439 HA GLU 52 HA GLU 52 -4.482 -11.107 9.459 440 1HB GLU 52 HB2 GLU 52 -3.642 -13.632 9.608 441 2HB GLU 52 HB1 GLU 52 -2.371 -12.893 10.574 442 1HG GLU 52 HG2 GLU 52 -4.146 -11.869 11.992 443 2HG GLU 52 HG1 GLU 52 -5.331 -12.817 11.094 444 H LYS 53 HN LYS 53 -3.782 -9.042 9.413 445 HA LYS 53 HA LYS 53 -1.264 -7.994 9.481 446 1HB LYS 53 HB2 LYS 53 -2.240 -5.964 10.393 447 2HB LYS 53 HB1 LYS 53 -3.310 -6.667 9.188 448 1HG LYS 53 HG2 LYS 53 -4.702 -7.605 10.957 449 2HG LYS 53 HG1 LYS 53 -3.623 -6.918 12.173 450 1HD LYS 53 HD2 LYS 53 -4.117 -4.670 10.975 451 2HD LYS 53 HD1 LYS 53 -5.510 -5.526 10.311 452 1HE LYS 53 HE2 LYS 53 -6.566 -5.649 12.320 453 2HE LYS 53 HE1 LYS 53 -5.058 -5.744 13.229 454 1HZ LYS 53 HZ1 LYS 53 -6.551 -3.398 12.345 455 2HZ LYS 53 HZ2 LYS 53 -4.864 -3.278 12.342 456 3HZ LYS 53 HZ3 LYS 53 -5.681 -3.652 13.774 457 H TYR 54 HN TYR 54 0.090 -7.147 11.073 458 HA TYR 54 HA TYR 54 -0.211 -8.371 13.736 459 1HB TYR 54 HB2 TYR 54 2.541 -7.726 13.044 460 2HB TYR 54 HB1 TYR 54 1.858 -9.242 13.621 461 HD1 TYR 54 HD1 TYR 54 0.293 -10.382 11.666 462 HD2 TYR 54 HD2 TYR 54 3.683 -7.884 11.052 463 HE1 TYR 54 HE1 TYR 54 0.611 -11.370 9.439 464 HE2 TYR 54 HE2 TYR 54 4.010 -8.867 8.833 465 HH TYR 54 HH TYR 54 3.443 -10.871 7.593 466 H GLY 55 HN GLY 55 0.594 -5.535 11.875 467 1HA GLY 55 HA2 GLY 55 0.055 -3.384 12.887 468 2HA GLY 55 HA1 GLY 55 0.724 -3.999 14.391 469 HA PRO 56 HA PRO 56 4.831 -2.585 13.701 470 1HB PRO 56 HB2 PRO 56 5.774 -5.347 13.088 471 2HB PRO 56 HB1 PRO 56 6.415 -4.168 14.240 472 1HG PRO 56 HG2 PRO 56 4.975 -6.223 15.097 473 2HG PRO 56 HG1 PRO 56 4.760 -4.614 15.814 474 1HD PRO 56 HD2 PRO 56 3.031 -6.067 13.862 475 2HD PRO 56 HD1 PRO 56 2.568 -5.003 15.205 476 H GLU 57 HN GLU 57 3.449 -4.619 11.230 477 HA GLU 57 HA GLU 57 5.460 -3.780 9.298 478 1HB GLU 57 HB2 GLU 57 4.689 -5.460 7.872 479 2HB GLU 57 HB1 GLU 57 4.560 -6.164 9.476 480 1HG GLU 57 HG2 GLU 57 2.246 -4.899 8.031 481 2HG GLU 57 HG1 GLU 57 2.644 -6.610 7.930 482 H ALA 58 HN ALA 58 1.925 -3.527 9.712 483 HA ALA 58 HA ALA 58 1.803 -1.702 7.459 484 1HB ALA 58 HB1 ALA 58 -0.335 -2.914 9.194 485 2HB ALA 58 HB2 ALA 58 0.059 -3.314 7.522 486 3HB ALA 58 HB3 ALA 58 -0.661 -1.752 7.909 487 H SER 59 HN SER 59 0.444 -1.576 10.754 488 HA SER 59 HA SER 59 0.020 1.185 10.742 489 1HB SER 59 HB2 SER 59 0.402 -0.717 13.061 490 2HB SER 59 HB1 SER 59 -0.153 0.949 13.227 491 HG SER 59 HG SER 59 -2.013 0.448 12.206 492 H ALA 60 HN ALA 60 2.829 -0.686 11.783 493 HA ALA 60 HA ALA 60 4.154 1.708 12.744 494 1HB ALA 60 HB1 ALA 60 5.550 -0.910 12.564 495 2HB ALA 60 HB2 ALA 60 4.249 -0.705 13.737 496 3HB ALA 60 HB3 ALA 60 5.660 0.351 13.792 497 H PHE 61 HN PHE 61 5.124 -0.862 10.431 498 HA PHE 61 HA PHE 61 7.313 0.480 9.396 499 1HB PHE 61 HB2 PHE 61 6.061 -1.940 8.913 500 2HB PHE 61 HB1 PHE 61 5.956 -1.105 7.366 501 HD1 PHE 61 HD1 PHE 61 7.559 -1.935 5.949 502 HD2 PHE 61 HD2 PHE 61 8.584 -1.193 10.012 503 HE1 PHE 61 HE1 PHE 61 9.894 -2.541 5.465 504 HE2 PHE 61 HE2 PHE 61 10.921 -1.796 9.536 505 HZ PHE 61 HZ PHE 61 11.579 -2.471 7.260 506 H THR 62 HN THR 62 4.010 0.428 8.026 507 HA THR 62 HA THR 62 4.513 2.030 5.818 508 HB THR 62 HB THR 62 1.984 1.881 7.464 509 HG1 THR 62 HG1 THR 62 1.413 0.329 5.868 510 1HG2 THR 62 HG21 THR 62 1.191 3.439 6.098 511 2HG2 THR 62 HG22 THR 62 1.256 2.205 4.840 512 3HG2 THR 62 HG23 THR 62 2.593 3.340 5.032 513 H LYS 63 HN LYS 63 2.923 3.205 8.795 514 HA LYS 63 HA LYS 63 3.097 5.906 8.231 515 1HB LYS 63 HB2 LYS 63 1.730 4.936 10.037 516 2HB LYS 63 HB1 LYS 63 3.192 4.602 10.955 517 1HG LYS 63 HG2 LYS 63 2.712 7.394 10.076 518 2HG LYS 63 HG1 LYS 63 1.727 6.752 11.390 519 1HD LYS 63 HD2 LYS 63 3.456 6.709 12.838 520 2HD LYS 63 HD1 LYS 63 4.611 6.208 11.602 521 1HE LYS 63 HE2 LYS 63 5.115 8.443 12.474 522 2HE LYS 63 HE1 LYS 63 4.725 8.480 10.755 523 1HZ LYS 63 HZ1 LYS 63 2.741 9.065 12.880 524 2HZ LYS 63 HZ2 LYS 63 2.586 9.341 11.218 525 3HZ LYS 63 HZ3 LYS 63 3.674 10.263 12.131 526 H LYS 64 HN LYS 64 5.613 3.769 9.285 527 HA LYS 64 HA LYS 64 7.314 5.936 10.201 528 1HB LYS 64 HB2 LYS 64 7.557 2.956 10.116 529 2HB LYS 64 HB1 LYS 64 9.000 3.938 10.318 530 1HG LYS 64 HG2 LYS 64 7.457 5.057 12.192 531 2HG LYS 64 HG1 LYS 64 6.775 3.430 12.186 532 1HD LYS 64 HD2 LYS 64 9.563 3.101 12.125 533 2HD LYS 64 HD1 LYS 64 9.250 4.370 13.311 534 1HE LYS 64 HE2 LYS 64 9.235 2.227 14.414 535 2HE LYS 64 HE1 LYS 64 7.601 2.889 14.406 536 1HZ LYS 64 HZ1 LYS 64 8.557 0.943 12.386 537 2HZ LYS 64 HZ2 LYS 64 6.964 1.418 12.696 538 3HZ LYS 64 HZ3 LYS 64 7.798 0.476 13.824 539 H MET 65 HN MET 65 7.553 3.425 7.676 540 HA MET 65 HA MET 65 9.854 4.250 6.433 541 1HB MET 65 HB2 MET 65 7.553 2.631 5.721 542 2HB MET 65 HB1 MET 65 8.213 3.465 4.322 543 1HG MET 65 HG2 MET 65 10.210 2.192 6.047 544 2HG MET 65 HG1 MET 65 9.086 1.082 5.264 545 1HE MET 65 HE1 MET 65 12.520 3.270 4.248 546 2HE MET 65 HE2 MET 65 11.126 4.131 4.901 547 3HE MET 65 HE3 MET 65 11.525 4.270 3.189 548 H VAL 66 HN VAL 66 6.736 5.778 6.337 549 HA VAL 66 HA VAL 66 7.486 7.478 4.095 550 HB VAL 66 HB VAL 66 4.957 7.553 5.743 551 1HG1 VAL 66 HG11 VAL 66 4.520 9.405 4.598 552 2HG1 VAL 66 HG12 VAL 66 4.516 8.443 3.120 553 3HG1 VAL 66 HG13 VAL 66 6.000 9.229 3.658 554 1HG2 VAL 66 HG21 VAL 66 4.860 6.435 3.031 555 2HG2 VAL 66 HG22 VAL 66 4.063 5.900 4.510 556 3HG2 VAL 66 HG23 VAL 66 5.742 5.454 4.202 557 H GLU 67 HN GLU 67 7.839 7.519 7.450 558 HA GLU 67 HA GLU 67 7.715 10.425 7.655 559 1HB GLU 67 HB2 GLU 67 6.855 8.701 9.415 560 2HB GLU 67 HB1 GLU 67 8.544 8.619 9.897 561 1HG GLU 67 HG2 GLU 67 8.580 10.927 10.459 562 2HG GLU 67 HG1 GLU 67 6.996 11.190 9.731 563 H ASN 68 HN ASN 68 10.001 8.159 6.769 564 HA ASN 68 HA ASN 68 12.209 9.819 7.789 565 1HB ASN 68 HB2 ASN 68 13.644 7.810 7.309 566 2HB ASN 68 HB1 ASN 68 12.445 7.573 8.576 567 1HD2 ASN 68 HD21 ASN 68 12.502 5.344 8.302 568 2HD2 ASN 68 HD22 ASN 68 11.763 4.568 6.947 569 H ALA 69 HN ALA 69 10.688 8.551 4.927 570 HA ALA 69 HA ALA 69 12.828 9.686 3.263 571 1HB ALA 69 HB1 ALA 69 12.336 7.360 2.794 572 2HB ALA 69 HB2 ALA 69 11.857 8.367 1.428 573 3HB ALA 69 HB3 ALA 69 10.635 7.747 2.538 574 H LYS 70 HN LYS 70 12.427 11.265 1.773 575 HA LYS 70 HA LYS 70 9.858 12.646 2.038 576 1HB LYS 70 HB2 LYS 70 12.422 13.606 2.106 577 2HB LYS 70 HB1 LYS 70 11.967 13.926 0.438 578 1HG LYS 70 HG2 LYS 70 10.426 15.488 1.010 579 2HG LYS 70 HG1 LYS 70 10.029 14.699 2.537 580 1HD LYS 70 HD2 LYS 70 12.763 15.624 2.535 581 2HD LYS 70 HD1 LYS 70 11.653 16.943 2.159 582 1HE LYS 70 HE2 LYS 70 11.790 16.990 4.483 583 2HE LYS 70 HE1 LYS 70 10.298 16.102 4.174 584 1HZ LYS 70 HZ1 LYS 70 11.158 14.202 4.985 585 2HZ LYS 70 HZ2 LYS 70 12.194 15.246 5.820 586 3HZ LYS 70 HZ3 LYS 70 12.715 14.502 4.393 587 H LYS 71 HN LYS 71 10.212 10.215 0.432 588 HA LYS 71 HA LYS 71 9.117 11.253 -2.065 589 1HB LYS 71 HB2 LYS 71 10.517 9.478 -3.290 590 2HB LYS 71 HB1 LYS 71 11.315 10.972 -2.818 591 1HG LYS 71 HG2 LYS 71 11.910 9.569 -0.663 592 2HG LYS 71 HG1 LYS 71 11.661 8.218 -1.769 593 1HD LYS 71 HD2 LYS 71 13.726 8.530 -2.538 594 2HD LYS 71 HD1 LYS 71 13.215 10.097 -3.169 595 1HE LYS 71 HE2 LYS 71 14.254 9.597 -0.381 596 2HE LYS 71 HE1 LYS 71 15.204 10.250 -1.715 597 1HZ LYS 71 HZ1 LYS 71 14.231 12.257 -1.540 598 2HZ LYS 71 HZ2 LYS 71 13.916 11.764 0.046 599 3HZ LYS 71 HZ3 LYS 71 12.713 11.629 -1.135 600 H ILE 72 HN ILE 72 7.121 10.432 -1.693 601 HA ILE 72 HA ILE 72 6.935 7.498 -1.507 602 HB ILE 72 HB ILE 72 4.924 9.361 -0.257 603 1HG1 ILE 72 HG12 ILE 72 6.230 8.171 1.843 604 2HG1 ILE 72 HG11 ILE 72 7.553 8.492 0.729 605 1HG2 ILE 72 HG21 ILE 72 4.414 7.244 1.039 606 2HG2 ILE 72 HG22 ILE 72 5.433 6.402 -0.128 607 3HG2 ILE 72 HG23 ILE 72 3.980 7.241 -0.671 608 1HD1 ILE 72 HD11 ILE 72 5.706 10.430 2.058 609 2HD1 ILE 72 HD12 ILE 72 6.601 10.869 0.603 610 3HD1 ILE 72 HD13 ILE 72 7.469 10.387 2.061 611 H GLU 73 HN GLU 73 6.608 7.242 -3.704 612 HA GLU 73 HA GLU 73 4.384 8.677 -4.937 613 1HB GLU 73 HB2 GLU 73 6.861 7.810 -5.890 614 2HB GLU 73 HB1 GLU 73 5.690 6.745 -6.652 615 1HG GLU 73 HG2 GLU 73 5.082 8.320 -8.077 616 2HG GLU 73 HG1 GLU 73 4.772 9.459 -6.767 617 H VAL 74 HN VAL 74 2.616 7.645 -5.884 618 HA VAL 74 HA VAL 74 2.167 4.893 -4.930 619 HB VAL 74 HB VAL 74 0.059 6.993 -5.446 620 1HG1 VAL 74 HG11 VAL 74 -0.624 4.612 -5.706 621 2HG1 VAL 74 HG12 VAL 74 -1.473 5.465 -4.416 622 3HG1 VAL 74 HG13 VAL 74 -0.166 4.346 -4.024 623 1HG2 VAL 74 HG21 VAL 74 0.468 6.095 -2.694 624 2HG2 VAL 74 HG22 VAL 74 0.213 7.719 -3.332 625 3HG2 VAL 74 HG23 VAL 74 1.826 7.004 -3.357 626 H GLU 75 HN GLU 75 1.743 3.376 -6.380 627 HA GLU 75 HA GLU 75 1.449 4.140 -9.181 628 1HB GLU 75 HB2 GLU 75 3.155 2.450 -8.515 629 2HB GLU 75 HB1 GLU 75 1.856 1.399 -7.967 630 1HG GLU 75 HG2 GLU 75 1.034 1.126 -10.176 631 2HG GLU 75 HG1 GLU 75 2.088 2.397 -10.792 632 H PHE 76 HN PHE 76 -0.779 4.861 -8.015 633 HA PHE 76 HA PHE 76 -2.684 2.664 -8.140 634 1HB PHE 76 HB2 PHE 76 -3.962 3.821 -6.680 635 2HB PHE 76 HB1 PHE 76 -2.477 4.708 -6.385 636 HD1 PHE 76 HD1 PHE 76 -2.385 6.433 -8.811 637 HD2 PHE 76 HD2 PHE 76 -5.620 5.348 -6.272 638 HE1 PHE 76 HE1 PHE 76 -3.543 8.524 -9.394 639 HE2 PHE 76 HE2 PHE 76 -6.780 7.432 -6.845 640 HZ PHE 76 HZ PHE 76 -5.746 9.027 -8.413 641 H ASP 77 HN ASP 77 -4.849 3.141 -9.133 642 HA ASP 77 HA ASP 77 -4.431 4.264 -11.813 643 1HB ASP 77 HB2 ASP 77 -5.258 1.791 -11.227 644 2HB ASP 77 HB1 ASP 77 -6.825 2.600 -11.187 645 H LYS 78 HN LYS 78 -6.327 5.304 -12.838 646 HA LYS 78 HA LYS 78 -7.602 7.110 -10.931 647 1HB LYS 78 HB2 LYS 78 -6.518 7.427 -13.517 648 2HB LYS 78 HB1 LYS 78 -8.248 7.692 -13.673 649 1HG LYS 78 HG2 LYS 78 -8.147 9.373 -11.897 650 2HG LYS 78 HG1 LYS 78 -6.406 9.115 -11.764 651 1HD LYS 78 HD2 LYS 78 -6.440 9.632 -14.331 652 2HD LYS 78 HD1 LYS 78 -7.973 10.416 -13.945 653 1HE LYS 78 HE2 LYS 78 -5.427 10.997 -12.453 654 2HE LYS 78 HE1 LYS 78 -5.904 11.883 -13.900 655 1HZ LYS 78 HZ1 LYS 78 -8.031 12.390 -12.714 656 2HZ LYS 78 HZ2 LYS 78 -6.655 13.116 -12.049 657 3HZ LYS 78 HZ3 LYS 78 -7.334 11.756 -11.307 658 H GLY 79 HN GLY 79 -8.487 4.313 -11.259 659 1HA GLY 79 HA2 GLY 79 -11.302 4.834 -11.414 660 2HA GLY 79 HA1 GLY 79 -10.714 3.877 -12.767 661 H GLN 80 HN GLN 80 -9.212 3.658 -9.651 662 HA GLN 80 HA GLN 80 -9.787 0.859 -9.535 663 1HB GLN 80 HB2 GLN 80 -8.146 2.759 -7.918 664 2HB GLN 80 HB1 GLN 80 -8.591 1.215 -7.208 665 1HG GLN 80 HG2 GLN 80 -6.753 1.817 -9.453 666 2HG GLN 80 HG1 GLN 80 -6.575 0.695 -8.110 667 1HE2 GLN 80 HE21 GLN 80 -8.143 1.193 -11.210 668 2HE2 GLN 80 HE22 GLN 80 -8.377 -0.480 -11.570 669 H ARG 81 HN ARG 81 -11.305 -0.096 -8.542 670 HA ARG 81 HA ARG 81 -13.614 0.916 -7.588 671 1HB ARG 81 HB2 ARG 81 -12.166 -1.615 -7.114 672 2HB ARG 81 HB1 ARG 81 -13.435 -1.242 -5.954 673 1HG ARG 81 HG2 ARG 81 -14.787 -0.757 -8.194 674 2HG ARG 81 HG1 ARG 81 -13.625 -1.924 -8.826 675 1HD ARG 81 HD2 ARG 81 -14.995 -3.506 -8.057 676 2HD ARG 81 HD1 ARG 81 -14.448 -3.052 -6.443 677 HE ARG 81 HE ARG 81 -16.628 -1.450 -7.403 678 1HH1 ARG 81 HH11 ARG 81 -15.770 -4.431 -5.803 679 2HH1 ARG 81 HH12 ARG 81 -17.295 -4.585 -4.999 680 1HH2 ARG 81 HH21 ARG 81 -18.636 -1.650 -6.346 681 2HH2 ARG 81 HH22 ARG 81 -18.923 -3.005 -5.306 682 H THR 82 HN THR 82 -14.291 2.073 -5.920 683 HA THR 82 HA THR 82 -12.479 2.410 -3.626 684 HB THR 82 HB THR 82 -13.619 4.559 -3.256 685 HG1 THR 82 HG1 THR 82 -15.315 5.144 -4.379 686 1HG2 THR 82 HG21 THR 82 -11.853 4.025 -5.323 687 2HG2 THR 82 HG22 THR 82 -12.246 5.603 -4.642 688 3HG2 THR 82 HG23 THR 82 -13.117 5.012 -6.056 689 H ASP 83 HN ASP 83 -13.755 3.085 -1.554 690 HA ASP 83 HA ASP 83 -16.300 1.677 -1.318 691 1HB ASP 83 HB2 ASP 83 -13.838 0.574 -0.408 692 2HB ASP 83 HB1 ASP 83 -14.791 1.005 1.008 693 H LYS 84 HN LYS 84 -14.113 2.783 1.260 694 HA LYS 84 HA LYS 84 -16.245 4.385 2.366 695 1HB LYS 84 HB2 LYS 84 -13.559 3.486 3.266 696 2HB LYS 84 HB1 LYS 84 -14.187 4.965 3.981 697 1HG LYS 84 HG2 LYS 84 -16.072 3.845 4.869 698 2HG LYS 84 HG1 LYS 84 -15.738 2.392 3.923 699 1HD LYS 84 HD2 LYS 84 -15.091 2.134 6.284 700 2HD LYS 84 HD1 LYS 84 -13.708 1.999 5.196 701 1HE LYS 84 HE2 LYS 84 -13.050 3.344 7.059 702 2HE LYS 84 HE1 LYS 84 -13.205 4.399 5.656 703 1HZ LYS 84 HZ1 LYS 84 -15.649 4.592 6.671 704 2HZ LYS 84 HZ2 LYS 84 -14.386 5.629 7.106 705 3HZ LYS 84 HZ3 LYS 84 -14.779 4.317 8.097 706 H TYR 85 HN TYR 85 -13.000 5.659 2.626 707 HA TYR 85 HA TYR 85 -13.902 8.178 1.538 708 1HB TYR 85 HB2 TYR 85 -11.672 7.250 3.184 709 2HB TYR 85 HB1 TYR 85 -11.156 8.403 1.955 710 HD1 TYR 85 HD1 TYR 85 -12.392 10.638 1.836 711 HD2 TYR 85 HD2 TYR 85 -12.707 7.989 5.150 712 HE1 TYR 85 HE1 TYR 85 -13.192 12.495 3.237 713 HE2 TYR 85 HE2 TYR 85 -13.509 9.838 6.559 714 HH TYR 85 HH TYR 85 -13.358 13.113 5.557 715 H GLY 86 HN GLY 86 -14.259 6.683 -0.507 716 1HA GLY 86 HA2 GLY 86 -13.712 6.313 -2.702 717 2HA GLY 86 HA1 GLY 86 -12.562 7.632 -2.523 718 H ARG 87 HN ARG 87 -12.569 4.601 -0.721 719 HA ARG 87 HA ARG 87 -10.057 3.951 -0.489 720 1HB ARG 87 HB2 ARG 87 -12.217 2.095 -1.449 721 2HB ARG 87 HB1 ARG 87 -10.608 1.522 -1.045 722 1HG ARG 87 HG2 ARG 87 -12.023 3.198 0.950 723 2HG ARG 87 HG1 ARG 87 -12.566 1.536 0.722 724 1HD ARG 87 HD2 ARG 87 -9.778 1.394 0.831 725 2HD ARG 87 HD1 ARG 87 -10.234 2.539 2.092 726 HE ARG 87 HE ARG 87 -10.982 0.772 3.307 727 1HH1 ARG 87 HH11 ARG 87 -11.076 -0.132 -0.063 728 2HH1 ARG 87 HH12 ARG 87 -11.614 -1.746 0.256 729 1HH2 ARG 87 HH21 ARG 87 -11.690 -1.351 3.727 730 2HH2 ARG 87 HH22 ARG 87 -11.964 -2.438 2.407 731 H TRP 88 HN TRP 88 -8.274 3.766 -1.594 732 HA TRP 88 HA TRP 88 -8.426 3.254 -4.491 733 1HB TRP 88 HB2 TRP 88 -6.745 5.236 -2.964 734 2HB TRP 88 HB1 TRP 88 -6.341 4.730 -4.600 735 HD1 TRP 88 HD1 TRP 88 -8.444 7.146 -2.693 736 HE1 TRP 88 HE1 TRP 88 -9.902 8.515 -4.315 737 HE3 TRP 88 HE3 TRP 88 -7.692 4.422 -6.948 738 HZ2 TRP 88 HZ2 TRP 88 -10.629 8.450 -7.046 739 HZ3 TRP 88 HZ3 TRP 88 -8.795 5.142 -9.021 740 HH2 TRP 88 HH2 TRP 88 -10.235 7.114 -9.071 741 H LEU 89 HN LEU 89 -6.852 1.912 -5.354 742 HA LEU 89 HA LEU 89 -5.492 0.211 -3.463 743 1HB LEU 89 HB2 LEU 89 -5.176 -1.237 -5.181 744 2HB LEU 89 HB1 LEU 89 -6.479 -0.297 -5.877 745 HG LEU 89 HG LEU 89 -4.962 -0.549 -7.628 746 1HD1 LEU 89 HD11 LEU 89 -3.711 1.971 -6.891 747 2HD1 LEU 89 HD12 LEU 89 -5.459 1.970 -6.677 748 3HD1 LEU 89 HD13 LEU 89 -4.763 1.577 -8.247 749 1HD2 LEU 89 HD21 LEU 89 -2.479 0.428 -6.684 750 2HD2 LEU 89 HD22 LEU 89 -2.879 -1.191 -7.258 751 3HD2 LEU 89 HD23 LEU 89 -3.043 -0.796 -5.548 752 H ALA 90 HN ALA 90 -3.121 -0.165 -3.511 753 HA ALA 90 HA ALA 90 -1.341 1.554 -4.819 754 1HB ALA 90 HB1 ALA 90 -2.336 2.552 -2.183 755 2HB ALA 90 HB2 ALA 90 -2.081 3.432 -3.690 756 3HB ALA 90 HB3 ALA 90 -0.697 2.921 -2.723 757 H TYR 91 HN TYR 91 0.840 1.468 -4.015 758 HA TYR 91 HA TYR 91 1.329 -0.933 -2.385 759 1HB TYR 91 HB2 TYR 91 2.839 0.245 -4.716 760 2HB TYR 91 HB1 TYR 91 3.573 -0.928 -3.629 761 HD1 TYR 91 HD1 TYR 91 0.183 -0.692 -5.228 762 HD2 TYR 91 HD2 TYR 91 3.738 -2.972 -4.668 763 HE1 TYR 91 HE1 TYR 91 -0.788 -2.527 -6.541 764 HE2 TYR 91 HE2 TYR 91 2.771 -4.811 -5.981 765 HH TYR 91 HH TYR 91 -0.002 -4.455 -7.878 766 H ILE 92 HN ILE 92 2.247 2.386 -3.046 767 HA ILE 92 HA ILE 92 3.358 3.958 -1.844 768 HB ILE 92 HB ILE 92 2.905 2.176 0.546 769 1HG1 ILE 92 HG12 ILE 92 0.979 4.321 0.200 770 2HG1 ILE 92 HG11 ILE 92 0.944 3.209 -1.166 771 1HG2 ILE 92 HG21 ILE 92 3.010 5.178 0.439 772 2HG2 ILE 92 HG22 ILE 92 4.441 4.182 0.712 773 3HG2 ILE 92 HG23 ILE 92 3.098 4.129 1.854 774 1HD1 ILE 92 HD11 ILE 92 0.957 2.025 1.544 775 2HD1 ILE 92 HD12 ILE 92 0.138 1.496 0.075 776 3HD1 ILE 92 HD13 ILE 92 -0.514 2.840 1.012 777 H TYR 93 HN TYR 93 5.465 4.297 -2.015 778 HA TYR 93 HA TYR 93 7.313 2.464 -0.692 779 1HB TYR 93 HB2 TYR 93 8.828 2.736 -2.786 780 2HB TYR 93 HB1 TYR 93 7.545 1.539 -2.800 781 HD1 TYR 93 HD1 TYR 93 8.401 4.971 -3.938 782 HD2 TYR 93 HD2 TYR 93 5.892 1.571 -4.446 783 HE1 TYR 93 HE1 TYR 93 7.526 5.932 -6.025 784 HE2 TYR 93 HE2 TYR 93 5.006 2.524 -6.529 785 HH TYR 93 HH TYR 93 4.788 5.019 -7.467 786 H ALA 94 HN ALA 94 8.696 3.550 0.506 787 HA ALA 94 HA ALA 94 9.072 6.408 -0.010 788 1HB ALA 94 HB1 ALA 94 8.752 6.550 2.187 789 2HB ALA 94 HB2 ALA 94 10.318 5.767 2.404 790 3HB ALA 94 HB3 ALA 94 8.844 4.799 2.372 791 H ASP 95 HN ASP 95 10.639 6.503 -1.555 792 HA ASP 95 HA ASP 95 12.832 6.785 -2.195 793 1HB ASP 95 HB2 ASP 95 13.228 6.328 0.457 794 2HB ASP 95 HB1 ASP 95 14.033 4.925 -0.240 795 H GLY 96 HN GLY 96 11.349 5.215 -3.609 796 1HA GLY 96 HA2 GLY 96 11.341 3.470 -5.094 797 2HA GLY 96 HA1 GLY 96 13.083 3.447 -4.880 798 H LYS 97 HN LYS 97 10.922 2.847 -2.197 799 HA LYS 97 HA LYS 97 11.384 -0.037 -2.450 800 1HB LYS 97 HB2 LYS 97 11.919 -0.148 -0.012 801 2HB LYS 97 HB1 LYS 97 13.142 0.663 -0.981 802 1HG LYS 97 HG2 LYS 97 11.740 2.796 -0.281 803 2HG LYS 97 HG1 LYS 97 11.318 1.755 1.079 804 1HD LYS 97 HD2 LYS 97 14.178 1.923 0.294 805 2HD LYS 97 HD1 LYS 97 13.467 3.316 1.113 806 1HE LYS 97 HE2 LYS 97 13.775 2.269 3.049 807 2HE LYS 97 HE1 LYS 97 12.604 1.057 2.535 808 1HZ LYS 97 HZ1 LYS 97 14.333 -0.285 1.650 809 2HZ LYS 97 HZ2 LYS 97 14.803 0.156 3.214 810 3HZ LYS 97 HZ3 LYS 97 15.493 0.927 1.877 811 H MET 98 HN MET 98 9.439 -0.922 -2.507 812 HA MET 98 HA MET 98 7.142 0.354 -1.341 813 1HB MET 98 HB2 MET 98 7.321 -2.416 -2.529 814 2HB MET 98 HB1 MET 98 5.870 -1.448 -2.303 815 1HG MET 98 HG2 MET 98 6.158 -0.380 -4.228 816 2HG MET 98 HG1 MET 98 7.864 -0.080 -3.902 817 1HE MET 98 HE1 MET 98 7.948 -0.581 -6.951 818 2HE MET 98 HE2 MET 98 9.233 -1.781 -6.797 819 3HE MET 98 HE3 MET 98 9.159 -0.419 -5.679 820 H VAL 99 HN VAL 99 6.088 -0.135 0.502 821 HA VAL 99 HA VAL 99 7.430 -1.485 2.571 822 HB VAL 99 HB VAL 99 5.168 -1.371 3.748 823 1HG1 VAL 99 HG11 VAL 99 7.030 0.324 3.872 824 2HG1 VAL 99 HG12 VAL 99 5.416 0.935 4.233 825 3HG1 VAL 99 HG13 VAL 99 6.151 1.258 2.663 826 1HG2 VAL 99 HG21 VAL 99 4.186 -1.065 1.213 827 2HG2 VAL 99 HG22 VAL 99 4.193 0.593 1.812 828 3HG2 VAL 99 HG23 VAL 99 3.321 -0.661 2.695 829 H ASN 100 HN ASN 100 5.067 -2.541 0.226 830 HA ASN 100 HA ASN 100 4.527 -5.037 1.565 831 1HB ASN 100 HB2 ASN 100 2.859 -3.852 0.108 832 2HB ASN 100 HB1 ASN 100 3.863 -4.256 -1.281 833 1HD2 ASN 100 HD21 ASN 100 1.393 -5.105 -1.436 834 2HD2 ASN 100 HD22 ASN 100 1.265 -6.802 -1.135 835 H GLU 101 HN GLU 101 6.328 -3.999 -1.308 836 HA GLU 101 HA GLU 101 7.247 -6.606 -1.978 837 1HB GLU 101 HB2 GLU 101 7.162 -4.266 -3.315 838 2HB GLU 101 HB1 GLU 101 8.849 -4.261 -2.820 839 1HG GLU 101 HG2 GLU 101 9.371 -5.675 -4.434 840 2HG GLU 101 HG1 GLU 101 8.185 -6.839 -3.847 841 H ALA 102 HN ALA 102 8.255 -4.254 0.317 842 HA ALA 102 HA ALA 102 10.940 -5.351 0.556 843 1HB ALA 102 HB1 ALA 102 10.928 -3.027 0.798 844 2HB ALA 102 HB2 ALA 102 11.067 -3.633 2.449 845 3HB ALA 102 HB3 ALA 102 9.513 -3.053 1.850 846 H LEU 103 HN LEU 103 7.872 -5.371 2.273 847 HA LEU 103 HA LEU 103 8.776 -6.488 4.687 848 1HB LEU 103 HB2 LEU 103 6.244 -5.914 3.433 849 2HB LEU 103 HB1 LEU 103 6.182 -7.472 4.227 850 HG LEU 103 HG LEU 103 5.414 -5.961 5.846 851 1HD1 LEU 103 HD11 LEU 103 7.500 -7.468 6.429 852 2HD1 LEU 103 HD12 LEU 103 6.821 -6.338 7.599 853 3HD1 LEU 103 HD13 LEU 103 8.264 -5.899 6.684 854 1HD2 LEU 103 HD21 LEU 103 5.859 -3.856 4.953 855 2HD2 LEU 103 HD22 LEU 103 7.593 -4.164 4.842 856 3HD2 LEU 103 HD23 LEU 103 6.841 -3.905 6.417 857 H VAL 104 HN VAL 104 7.948 -7.932 1.603 858 HA VAL 104 HA VAL 104 7.765 -10.611 2.451 859 HB VAL 104 HB VAL 104 8.436 -11.116 0.017 860 1HG1 VAL 104 HG11 VAL 104 6.114 -10.950 1.075 861 2HG1 VAL 104 HG12 VAL 104 6.225 -10.809 -0.679 862 3HG1 VAL 104 HG13 VAL 104 6.019 -9.364 0.310 863 1HG2 VAL 104 HG21 VAL 104 9.378 -8.631 -0.061 864 2HG2 VAL 104 HG22 VAL 104 7.726 -8.297 -0.580 865 3HG2 VAL 104 HG23 VAL 104 8.723 -9.432 -1.489 866 H ARG 105 HN ARG 105 10.392 -8.642 2.679 867 HA ARG 105 HA ARG 105 12.659 -9.660 1.788 868 1HB ARG 105 HB2 ARG 105 13.712 -9.146 3.968 869 2HB ARG 105 HB1 ARG 105 12.608 -7.887 3.435 870 1HG ARG 105 HG2 ARG 105 10.867 -9.041 4.904 871 2HG ARG 105 HG1 ARG 105 12.230 -9.904 5.615 872 1HD ARG 105 HD2 ARG 105 11.536 -7.854 6.859 873 2HD ARG 105 HD1 ARG 105 13.227 -7.869 6.359 874 HE ARG 105 HE ARG 105 11.659 -6.556 4.413 875 1HH1 ARG 105 HH11 ARG 105 12.900 -6.115 7.645 876 2HH1 ARG 105 HH12 ARG 105 12.956 -4.388 7.523 877 1HH2 ARG 105 HH21 ARG 105 11.735 -4.284 4.249 878 2HH2 ARG 105 HH22 ARG 105 12.294 -3.348 5.595 879 H GLN 106 HN GLN 106 10.901 -11.149 4.500 880 HA GLN 106 HA GLN 106 12.415 -13.622 4.002 881 1HB GLN 106 HB2 GLN 106 12.474 -14.121 6.310 882 2HB GLN 106 HB1 GLN 106 12.945 -12.434 6.175 883 1HG GLN 106 HG2 GLN 106 10.158 -13.337 6.856 884 2HG GLN 106 HG1 GLN 106 11.393 -12.964 8.057 885 1HE2 GLN 106 HE21 GLN 106 9.130 -11.710 5.802 886 2HE2 GLN 106 HE22 GLN 106 9.346 -10.037 6.175 887 H GLY 107 HN GLY 107 9.434 -12.252 3.697 888 1HA GLY 107 HA2 GLY 107 7.842 -13.953 2.711 889 2HA GLY 107 HA1 GLY 107 8.054 -14.809 4.228 890 H LEU 108 HN LEU 108 7.893 -11.333 4.235 891 HA LEU 108 HA LEU 108 5.346 -11.499 5.668 892 1HB LEU 108 HB2 LEU 108 7.545 -10.191 6.367 893 2HB LEU 108 HB1 LEU 108 6.841 -8.945 5.362 894 HG LEU 108 HG LEU 108 5.110 -10.162 7.436 895 1HD1 LEU 108 HD11 LEU 108 7.608 -8.702 7.995 896 2HD1 LEU 108 HD12 LEU 108 6.708 -9.841 8.995 897 3HD1 LEU 108 HD13 LEU 108 6.175 -8.163 8.871 898 1HD2 LEU 108 HD21 LEU 108 5.110 -7.322 7.359 899 2HD2 LEU 108 HD22 LEU 108 3.844 -8.439 6.841 900 3HD2 LEU 108 HD23 LEU 108 5.086 -7.920 5.701 901 H ALA 109 HN ALA 109 3.492 -10.511 4.974 902 HA ALA 109 HA ALA 109 3.612 -9.172 2.350 903 1HB ALA 109 HB1 ALA 109 1.422 -10.981 3.363 904 2HB ALA 109 HB2 ALA 109 2.637 -11.406 2.157 905 3HB ALA 109 HB3 ALA 109 1.449 -10.151 1.806 906 H LYS 110 HN LYS 110 2.308 -7.394 2.016 907 HA LYS 110 HA LYS 110 0.218 -6.526 3.642 908 1HB LYS 110 HB2 LYS 110 2.469 -6.304 5.098 909 2HB LYS 110 HB1 LYS 110 2.510 -4.753 4.271 910 1HG LYS 110 HG2 LYS 110 1.402 -4.393 6.319 911 2HG LYS 110 HG1 LYS 110 0.152 -4.388 5.073 912 1HD LYS 110 HD2 LYS 110 0.214 -7.019 5.761 913 2HD LYS 110 HD1 LYS 110 0.594 -6.250 7.303 914 1HE LYS 110 HE2 LYS 110 -1.641 -6.103 7.506 915 2HE LYS 110 HE1 LYS 110 -1.455 -4.699 6.456 916 1HZ LYS 110 HZ1 LYS 110 -2.549 -7.332 5.862 917 2HZ LYS 110 HZ2 LYS 110 -1.645 -6.599 4.634 918 3HZ LYS 110 HZ3 LYS 110 -3.001 -5.813 5.270 Start of MODEL 6 1 1H ALA 1 HT1 ALA 1 0.552 -16.200 -20.270 2 2H ALA 1 HT2 ALA 1 0.706 -17.343 -18.998 3 3H ALA 1 HT3 ALA 1 2.100 -16.794 -19.834 4 HA ALA 1 HA ALA 1 1.640 -15.852 -17.576 5 1HB ALA 1 HB1 ALA 1 2.322 -14.387 -20.074 6 2HB ALA 1 HB2 ALA 1 3.329 -14.775 -18.679 7 3HB ALA 1 HB3 ALA 1 2.147 -13.472 -18.577 8 H THR 2 HN THR 2 0.779 -13.622 -16.823 9 HA THR 2 HA THR 2 -2.073 -13.503 -17.541 10 HB THR 2 HB THR 2 -2.009 -12.191 -15.202 11 HG1 THR 2 HG1 THR 2 0.044 -14.126 -14.942 12 1HG2 THR 2 HG21 THR 2 -3.450 -14.049 -15.463 13 2HG2 THR 2 HG22 THR 2 -2.451 -14.364 -14.044 14 3HG2 THR 2 HG23 THR 2 -2.092 -15.170 -15.571 15 H SER 3 HN SER 3 -2.758 -11.763 -18.586 16 HA SER 3 HA SER 3 -1.074 -9.605 -19.249 17 1HB SER 3 HB2 SER 3 -4.086 -9.850 -19.423 18 2HB SER 3 HB1 SER 3 -3.139 -8.565 -20.172 19 HG SER 3 HG SER 3 -2.347 -9.955 -21.611 20 H THR 4 HN THR 4 -0.281 -8.367 -17.641 21 HA THR 4 HA THR 4 -1.964 -7.507 -15.447 22 HB THR 4 HB THR 4 0.891 -6.740 -16.084 23 HG1 THR 4 HG1 THR 4 1.445 -8.387 -14.663 24 1HG2 THR 4 HG21 THR 4 0.965 -6.472 -13.556 25 2HG2 THR 4 HG22 THR 4 -0.796 -6.418 -13.632 26 3HG2 THR 4 HG23 THR 4 0.160 -5.208 -14.486 27 H LYS 5 HN LYS 5 -3.011 -5.629 -15.307 28 HA LYS 5 HA LYS 5 -3.189 -3.886 -17.532 29 1HB LYS 5 HB2 LYS 5 -4.831 -4.398 -15.491 30 2HB LYS 5 HB1 LYS 5 -4.065 -2.953 -14.846 31 1HG LYS 5 HG2 LYS 5 -5.275 -1.634 -16.154 32 2HG LYS 5 HG1 LYS 5 -4.850 -2.564 -17.593 33 1HD LYS 5 HD2 LYS 5 -6.957 -3.440 -15.626 34 2HD LYS 5 HD1 LYS 5 -7.312 -2.452 -17.044 35 1HE LYS 5 HE2 LYS 5 -5.753 -4.607 -17.953 36 2HE LYS 5 HE1 LYS 5 -6.945 -5.292 -16.849 37 1HZ LYS 5 HZ1 LYS 5 -8.122 -5.290 -18.780 38 2HZ LYS 5 HZ2 LYS 5 -7.351 -3.921 -19.403 39 3HZ LYS 5 HZ3 LYS 5 -8.542 -3.751 -18.215 40 H LYS 6 HN LYS 6 -2.189 -2.008 -17.989 41 HA LYS 6 HA LYS 6 -0.056 -1.157 -16.164 42 1HB LYS 6 HB2 LYS 6 0.868 0.035 -18.133 43 2HB LYS 6 HB1 LYS 6 0.723 -1.700 -18.383 44 1HG LYS 6 HG2 LYS 6 -1.387 -1.295 -19.621 45 2HG LYS 6 HG1 LYS 6 -1.102 0.440 -19.458 46 1HD LYS 6 HD2 LYS 6 -0.088 0.184 -21.459 47 2HD LYS 6 HD1 LYS 6 1.273 -0.339 -20.466 48 1HE LYS 6 HE2 LYS 6 -0.642 -2.464 -21.088 49 2HE LYS 6 HE1 LYS 6 0.156 -1.780 -22.503 50 1HZ LYS 6 HZ1 LYS 6 1.287 -3.312 -20.291 51 2HZ LYS 6 HZ2 LYS 6 2.251 -2.090 -20.951 52 3HZ LYS 6 HZ3 LYS 6 1.678 -3.339 -21.937 53 H LEU 7 HN LEU 7 -0.553 0.465 -14.865 54 HA LEU 7 HA LEU 7 -2.282 2.619 -15.894 55 1HB LEU 7 HB2 LEU 7 -3.052 2.987 -13.608 56 2HB LEU 7 HB1 LEU 7 -3.401 1.353 -14.144 57 HG LEU 7 HG LEU 7 -0.953 1.080 -12.895 58 1HD1 LEU 7 HD11 LEU 7 -2.157 2.299 -10.654 59 2HD1 LEU 7 HD12 LEU 7 -2.129 3.498 -11.946 60 3HD1 LEU 7 HD13 LEU 7 -0.634 2.716 -11.437 61 1HD2 LEU 7 HD21 LEU 7 -3.373 0.729 -11.234 62 2HD2 LEU 7 HD22 LEU 7 -2.071 -0.403 -11.600 63 3HD2 LEU 7 HD23 LEU 7 -3.345 -0.112 -12.783 64 H HIS 8 HN HIS 8 -1.853 4.764 -15.053 65 HA HIS 8 HA HIS 8 0.930 5.363 -15.044 66 1HB HIS 8 HB2 HIS 8 -1.599 6.881 -15.008 67 2HB HIS 8 HB1 HIS 8 -0.242 7.686 -14.228 68 HD1 HIS 8 HD1 HIS 8 2.025 7.692 -15.853 69 HD2 HIS 8 HD2 HIS 8 -1.698 7.343 -17.666 70 HE1 HIS 8 HE1 HIS 8 2.381 8.350 -18.255 71 HE2 HIS 8 HE2 HIS 8 0.099 8.213 -19.310 72 H LYS 9 HN LYS 9 1.908 6.809 -13.340 73 HA LYS 9 HA LYS 9 1.281 5.692 -10.694 74 1HB LYS 9 HB2 LYS 9 3.686 5.837 -12.072 75 2HB LYS 9 HB1 LYS 9 3.801 7.144 -10.902 76 1HG LYS 9 HG2 LYS 9 4.448 5.631 -9.419 77 2HG LYS 9 HG1 LYS 9 2.801 4.998 -9.449 78 1HD LYS 9 HD2 LYS 9 4.843 4.128 -11.469 79 2HD LYS 9 HD1 LYS 9 4.743 3.366 -9.880 80 1HE LYS 9 HE2 LYS 9 3.334 1.992 -11.022 81 2HE LYS 9 HE1 LYS 9 2.175 3.226 -10.530 82 1HZ LYS 9 HZ1 LYS 9 3.308 4.069 -12.927 83 2HZ LYS 9 HZ2 LYS 9 1.721 3.550 -12.658 84 3HZ LYS 9 HZ3 LYS 9 2.904 2.438 -13.131 85 H GLU 10 HN GLU 10 1.417 7.067 -8.834 86 HA GLU 10 HA GLU 10 1.251 9.942 -9.333 87 1HB GLU 10 HB2 GLU 10 -0.974 8.219 -8.570 88 2HB GLU 10 HB1 GLU 10 -0.723 9.535 -7.432 89 1HG GLU 10 HG2 GLU 10 -2.306 10.217 -9.093 90 2HG GLU 10 HG1 GLU 10 -0.815 11.133 -9.305 91 HA PRO 11 HA PRO 11 3.779 9.469 -5.627 92 1HB PRO 11 HB2 PRO 11 4.576 12.214 -5.942 93 2HB PRO 11 HB1 PRO 11 5.526 10.758 -6.239 94 1HG PRO 11 HG2 PRO 11 4.692 12.488 -8.205 95 2HG PRO 11 HG1 PRO 11 5.092 10.784 -8.475 96 1HD PRO 11 HD2 PRO 11 2.416 12.085 -8.189 97 2HD PRO 11 HD1 PRO 11 2.922 10.759 -9.258 98 H ALA 12 HN ALA 12 2.654 9.504 -3.786 99 HA ALA 12 HA ALA 12 1.661 12.084 -2.819 100 1HB ALA 12 HB1 ALA 12 -0.367 11.231 -3.538 101 2HB ALA 12 HB2 ALA 12 -0.324 10.731 -1.848 102 3HB ALA 12 HB3 ALA 12 0.065 9.574 -3.122 103 H THR 13 HN THR 13 1.716 12.330 -0.576 104 HA THR 13 HA THR 13 3.513 10.473 0.762 105 HB THR 13 HB THR 13 3.609 12.241 2.519 106 HG1 THR 13 HG1 THR 13 2.649 14.252 1.985 107 1HG2 THR 13 HG21 THR 13 4.730 13.975 1.173 108 2HG2 THR 13 HG22 THR 13 4.168 13.161 -0.287 109 3HG2 THR 13 HG23 THR 13 5.281 12.341 0.807 110 H LEU 14 HN LEU 14 2.597 8.794 1.742 111 HA LEU 14 HA LEU 14 -0.064 8.880 2.814 112 1HB LEU 14 HB2 LEU 14 0.875 6.831 1.811 113 2HB LEU 14 HB1 LEU 14 2.080 6.770 3.082 114 HG LEU 14 HG LEU 14 -0.418 6.880 4.385 115 1HD1 LEU 14 HD11 LEU 14 -0.739 5.734 1.811 116 2HD1 LEU 14 HD12 LEU 14 -1.903 5.818 3.131 117 3HD1 LEU 14 HD13 LEU 14 -0.820 4.435 2.998 118 1HD2 LEU 14 HD21 LEU 14 1.642 4.741 3.949 119 2HD2 LEU 14 HD22 LEU 14 0.221 4.486 4.959 120 3HD2 LEU 14 HD23 LEU 14 1.382 5.746 5.373 121 H ILE 15 HN ILE 15 -0.572 9.685 4.737 122 HA ILE 15 HA ILE 15 1.470 10.432 6.598 123 HB ILE 15 HB ILE 15 -0.313 11.274 8.013 124 1HG1 ILE 15 HG12 ILE 15 -2.690 11.100 6.928 125 2HG1 ILE 15 HG11 ILE 15 -2.032 9.655 6.169 126 1HG2 ILE 15 HG21 ILE 15 -1.300 12.091 5.353 127 2HG2 ILE 15 HG22 ILE 15 0.429 12.276 5.643 128 3HG2 ILE 15 HG23 ILE 15 -0.732 13.070 6.705 129 1HD1 ILE 15 HD11 ILE 15 -2.499 8.512 8.000 130 2HD1 ILE 15 HD12 ILE 15 -3.086 9.980 8.786 131 3HD1 ILE 15 HD13 ILE 15 -1.384 9.530 8.913 132 H LYS 16 HN LYS 16 -1.030 7.898 6.583 133 HA LYS 16 HA LYS 16 0.494 6.161 8.191 134 1HB LYS 16 HB2 LYS 16 -0.004 7.808 9.950 135 2HB LYS 16 HB1 LYS 16 -1.723 7.603 9.655 136 1HG LYS 16 HG2 LYS 16 -1.561 5.264 10.361 137 2HG LYS 16 HG1 LYS 16 0.159 5.491 10.684 138 1HD LYS 16 HD2 LYS 16 -0.352 7.157 12.372 139 2HD LYS 16 HD1 LYS 16 -2.074 7.024 12.011 140 1HE LYS 16 HE2 LYS 16 -2.108 4.742 12.782 141 2HE LYS 16 HE1 LYS 16 -0.358 4.752 13.002 142 1HZ LYS 16 HZ1 LYS 16 -0.534 6.215 14.808 143 2HZ LYS 16 HZ2 LYS 16 -1.762 5.078 15.057 144 3HZ LYS 16 HZ3 LYS 16 -2.141 6.613 14.458 145 H ALA 17 HN ALA 17 -0.708 4.232 8.877 146 HA ALA 17 HA ALA 17 -2.857 3.645 6.977 147 1HB ALA 17 HB1 ALA 17 -0.687 2.121 8.176 148 2HB ALA 17 HB2 ALA 17 -1.586 1.830 6.688 149 3HB ALA 17 HB3 ALA 17 -2.232 1.273 8.231 150 H ILE 18 HN ILE 18 -4.828 2.712 7.621 151 HA ILE 18 HA ILE 18 -5.570 3.346 10.378 152 HB ILE 18 HB ILE 18 -7.409 2.580 8.112 153 1HG1 ILE 18 HG12 ILE 18 -6.826 5.366 9.123 154 2HG1 ILE 18 HG11 ILE 18 -6.027 4.670 7.716 155 1HG2 ILE 18 HG21 ILE 18 -8.634 2.267 10.036 156 2HG2 ILE 18 HG22 ILE 18 -8.986 3.954 9.666 157 3HG2 ILE 18 HG23 ILE 18 -7.798 3.552 10.905 158 1HD1 ILE 18 HD11 ILE 18 -7.709 5.338 6.454 159 2HD1 ILE 18 HD12 ILE 18 -8.532 5.986 7.873 160 3HD1 ILE 18 HD13 ILE 18 -8.811 4.317 7.377 161 H ASP 19 HN ASP 19 -6.839 0.819 8.211 162 HA ASP 19 HA ASP 19 -6.411 -1.112 10.396 163 1HB ASP 19 HB2 ASP 19 -8.821 -0.422 9.772 164 2HB ASP 19 HB1 ASP 19 -8.573 -1.398 8.326 165 H GLY 20 HN GLY 20 -4.511 -0.550 8.304 166 1HA GLY 20 HA2 GLY 20 -3.013 -2.034 7.264 167 2HA GLY 20 HA1 GLY 20 -4.268 -3.264 7.262 168 H ASP 21 HN ASP 21 -6.330 -1.933 5.990 169 HA ASP 21 HA ASP 21 -5.263 -1.780 3.270 170 1HB ASP 21 HB2 ASP 21 -7.829 -2.596 4.479 171 2HB ASP 21 HB1 ASP 21 -7.971 -1.702 2.969 172 H THR 22 HN THR 22 -7.705 -0.090 5.244 173 HA THR 22 HA THR 22 -7.811 2.175 3.529 174 HB THR 22 HB THR 22 -8.997 3.230 5.520 175 HG1 THR 22 HG1 THR 22 -8.939 0.623 6.599 176 1HG2 THR 22 HG21 THR 22 -10.258 0.590 4.980 177 2HG2 THR 22 HG22 THR 22 -10.064 1.747 3.663 178 3HG2 THR 22 HG23 THR 22 -10.990 2.190 5.097 179 H VAL 23 HN VAL 23 -6.058 3.408 3.231 180 HA VAL 23 HA VAL 23 -4.648 4.381 5.626 181 HB VAL 23 HB VAL 23 -2.532 4.357 4.383 182 1HG1 VAL 23 HG11 VAL 23 -2.047 2.160 4.820 183 2HG1 VAL 23 HG12 VAL 23 -3.556 1.573 4.121 184 3HG1 VAL 23 HG13 VAL 23 -3.558 2.335 5.712 185 1HG2 VAL 23 HG21 VAL 23 -3.932 2.756 2.255 186 2HG2 VAL 23 HG22 VAL 23 -2.288 3.389 2.237 187 3HG2 VAL 23 HG23 VAL 23 -3.658 4.492 2.118 188 H LYS 24 HN LYS 24 -4.052 6.520 5.634 189 HA LYS 24 HA LYS 24 -5.391 8.220 3.728 190 1HB LYS 24 HB2 LYS 24 -5.463 8.978 5.976 191 2HB LYS 24 HB1 LYS 24 -3.731 8.761 6.185 192 1HG LYS 24 HG2 LYS 24 -4.315 11.115 6.008 193 2HG LYS 24 HG1 LYS 24 -3.299 10.608 4.655 194 1HD LYS 24 HD2 LYS 24 -4.846 11.326 3.226 195 2HD LYS 24 HD1 LYS 24 -6.017 10.203 3.921 196 1HE LYS 24 HE2 LYS 24 -6.308 11.992 5.754 197 2HE LYS 24 HE1 LYS 24 -5.518 13.078 4.612 198 1HZ LYS 24 HZ1 LYS 24 -7.378 11.944 3.064 199 2HZ LYS 24 HZ2 LYS 24 -7.603 13.400 3.894 200 3HZ LYS 24 HZ3 LYS 24 -8.184 11.952 4.551 201 H LEU 25 HN LEU 25 -4.477 9.469 2.168 202 HA LEU 25 HA LEU 25 -1.565 9.431 1.839 203 1HB LEU 25 HB2 LEU 25 -3.497 8.003 0.248 204 2HB LEU 25 HB1 LEU 25 -2.636 9.163 -0.732 205 HG LEU 25 HG LEU 25 -0.900 7.510 0.961 206 1HD1 LEU 25 HD11 LEU 25 -2.682 6.296 -1.136 207 2HD1 LEU 25 HD12 LEU 25 -2.398 5.743 0.516 208 3HD1 LEU 25 HD13 LEU 25 -1.126 5.592 -0.697 209 1HD2 LEU 25 HD21 LEU 25 0.313 7.319 -1.192 210 2HD2 LEU 25 HD22 LEU 25 0.012 8.988 -0.709 211 3HD2 LEU 25 HD23 LEU 25 -0.980 8.238 -1.961 212 H MET 26 HN MET 26 -0.903 11.502 1.571 213 HA MET 26 HA MET 26 -2.735 13.603 0.837 214 1HB MET 26 HB2 MET 26 -0.496 13.668 2.264 215 2HB MET 26 HB1 MET 26 0.238 13.949 0.692 216 1HG MET 26 HG2 MET 26 -0.326 16.080 0.765 217 2HG MET 26 HG1 MET 26 -2.024 15.656 0.966 218 1HE MET 26 HE1 MET 26 -1.074 18.481 3.474 219 2HE MET 26 HE2 MET 26 -2.656 17.833 3.037 220 3HE MET 26 HE3 MET 26 -1.438 18.106 1.790 221 H TYR 27 HN TYR 27 -3.525 13.321 -1.189 222 HA TYR 27 HA TYR 27 -1.733 12.655 -3.379 223 1HB TYR 27 HB2 TYR 27 -3.829 11.424 -3.135 224 2HB TYR 27 HB1 TYR 27 -4.739 12.921 -3.267 225 HD1 TYR 27 HD1 TYR 27 -3.329 10.177 -5.031 226 HD2 TYR 27 HD2 TYR 27 -4.514 14.235 -5.456 227 HE1 TYR 27 HE1 TYR 27 -3.471 9.869 -7.462 228 HE2 TYR 27 HE2 TYR 27 -4.666 13.951 -7.883 229 HH TYR 27 HH TYR 27 -4.931 11.203 -9.405 230 H LYS 28 HN LYS 28 -0.680 14.300 -4.258 231 HA LYS 28 HA LYS 28 -0.178 16.379 -5.062 232 1HB LYS 28 HB2 LYS 28 -2.127 15.189 -6.590 233 2HB LYS 28 HB1 LYS 28 -2.812 16.779 -6.285 234 1HG LYS 28 HG2 LYS 28 -1.561 16.779 -8.352 235 2HG LYS 28 HG1 LYS 28 -0.772 17.817 -7.161 236 1HD LYS 28 HD2 LYS 28 0.427 15.402 -6.702 237 2HD LYS 28 HD1 LYS 28 0.180 15.364 -8.448 238 1HE LYS 28 HE2 LYS 28 2.335 16.319 -7.996 239 2HE LYS 28 HE1 LYS 28 1.271 17.589 -8.596 240 1HZ LYS 28 HZ1 LYS 28 2.442 17.240 -5.950 241 2HZ LYS 28 HZ2 LYS 28 0.872 17.867 -6.007 242 3HZ LYS 28 HZ3 LYS 28 2.127 18.659 -6.817 243 H GLY 29 HN GLY 29 -0.905 16.668 -2.463 244 1HA GLY 29 HA2 GLY 29 -1.276 18.536 -1.117 245 2HA GLY 29 HA1 GLY 29 -2.010 19.350 -2.489 246 H GLN 30 HN GLN 30 -3.620 16.652 -2.710 247 HA GLN 30 HA GLN 30 -5.596 17.369 -0.655 248 1HB GLN 30 HB2 GLN 30 -7.028 17.834 -2.306 249 2HB GLN 30 HB1 GLN 30 -5.839 17.371 -3.506 250 1HG GLN 30 HG2 GLN 30 -7.392 15.197 -2.213 251 2HG GLN 30 HG1 GLN 30 -8.228 16.250 -3.346 252 1HE2 GLN 30 HE21 GLN 30 -7.337 13.379 -3.411 253 2HE2 GLN 30 HE22 GLN 30 -6.504 13.230 -4.916 254 HA PRO 31 HA PRO 31 -4.362 13.132 0.422 255 1HB PRO 31 HB2 PRO 31 -5.975 13.811 2.808 256 2HB PRO 31 HB1 PRO 31 -4.331 13.169 2.704 257 1HG PRO 31 HG2 PRO 31 -4.756 15.709 3.380 258 2HG PRO 31 HG1 PRO 31 -3.399 15.261 2.328 259 1HD PRO 31 HD2 PRO 31 -6.045 16.438 1.596 260 2HD PRO 31 HD1 PRO 31 -4.435 16.849 0.983 261 H MET 32 HN MET 32 -5.366 11.238 0.327 262 HA MET 32 HA MET 32 -8.269 11.054 0.518 263 1HB MET 32 HB2 MET 32 -6.658 10.498 -1.956 264 2HB MET 32 HB1 MET 32 -8.131 9.595 -1.636 265 1HG MET 32 HG2 MET 32 -8.038 12.594 -1.691 266 2HG MET 32 HG1 MET 32 -8.353 11.614 -3.122 267 1HE MET 32 HE1 MET 32 -11.743 11.409 -3.383 268 2HE MET 32 HE2 MET 32 -10.214 12.116 -3.909 269 3HE MET 32 HE3 MET 32 -11.363 13.085 -2.985 270 H THR 33 HN THR 33 -8.967 9.001 1.124 271 HA THR 33 HA THR 33 -6.916 7.339 2.297 272 HB THR 33 HB THR 33 -9.919 7.008 2.241 273 HG1 THR 33 HG1 THR 33 -9.626 8.712 3.494 274 1HG2 THR 33 HG21 THR 33 -9.413 4.933 2.938 275 2HG2 THR 33 HG22 THR 33 -9.161 5.754 4.478 276 3HG2 THR 33 HG23 THR 33 -7.784 5.380 3.442 277 H PHE 34 HN PHE 34 -5.949 5.721 1.262 278 HA PHE 34 HA PHE 34 -7.302 4.571 -1.067 279 1HB PHE 34 HB2 PHE 34 -4.368 4.569 -0.352 280 2HB PHE 34 HB1 PHE 34 -5.060 3.764 -1.760 281 HD1 PHE 34 HD1 PHE 34 -4.950 4.890 -3.761 282 HD2 PHE 34 HD2 PHE 34 -5.155 7.091 -0.127 283 HE1 PHE 34 HE1 PHE 34 -4.788 7.004 -5.027 284 HE2 PHE 34 HE2 PHE 34 -4.997 9.200 -1.376 285 HZ PHE 34 HZ PHE 34 -4.822 9.164 -3.827 286 H ARG 35 HN ARG 35 -8.086 2.584 -0.955 287 HA ARG 35 HA ARG 35 -7.061 0.784 1.139 288 1HB ARG 35 HB2 ARG 35 -9.275 1.552 1.734 289 2HB ARG 35 HB1 ARG 35 -9.890 1.138 0.140 290 1HG ARG 35 HG2 ARG 35 -8.852 -1.246 1.046 291 2HG ARG 35 HG1 ARG 35 -9.537 -0.522 2.502 292 1HD ARG 35 HD2 ARG 35 -11.243 -1.837 1.481 293 2HD ARG 35 HD1 ARG 35 -11.650 -0.141 1.224 294 HE ARG 35 HE ARG 35 -10.171 -1.313 -0.943 295 1HH1 ARG 35 HH11 ARG 35 -13.349 -0.822 0.412 296 2HH1 ARG 35 HH12 ARG 35 -14.162 -1.007 -1.106 297 1HH2 ARG 35 HH21 ARG 35 -11.237 -1.555 -2.941 298 2HH2 ARG 35 HH22 ARG 35 -12.963 -1.421 -3.011 299 H LEU 36 HN LEU 36 -6.237 -1.070 0.432 300 HA LEU 36 HA LEU 36 -7.354 -2.660 -1.590 301 1HB LEU 36 HB2 LEU 36 -6.434 -0.818 -3.009 302 2HB LEU 36 HB1 LEU 36 -4.830 -1.262 -2.452 303 HG LEU 36 HG LEU 36 -5.456 -3.629 -3.365 304 1HD1 LEU 36 HD11 LEU 36 -7.557 -3.686 -4.143 305 2HD1 LEU 36 HD12 LEU 36 -6.864 -2.922 -5.574 306 3HD1 LEU 36 HD13 LEU 36 -7.643 -1.935 -4.337 307 1HD2 LEU 36 HD21 LEU 36 -3.929 -3.114 -4.893 308 2HD2 LEU 36 HD22 LEU 36 -4.060 -1.433 -4.379 309 3HD2 LEU 36 HD23 LEU 36 -5.040 -2.024 -5.721 310 H LEU 37 HN LEU 37 -4.395 -1.748 0.105 311 HA LEU 37 HA LEU 37 -2.964 -4.111 -0.156 312 1HB LEU 37 HB2 LEU 37 -3.079 -2.201 2.178 313 2HB LEU 37 HB1 LEU 37 -1.882 -3.470 2.001 314 HG LEU 37 HG LEU 37 -2.158 -1.488 -0.207 315 1HD1 LEU 37 HD11 LEU 37 -1.963 0.180 1.305 316 2HD1 LEU 37 HD12 LEU 37 -0.264 -0.287 1.251 317 3HD1 LEU 37 HD13 LEU 37 -1.300 -0.877 2.551 318 1HD2 LEU 37 HD21 LEU 37 0.136 -1.950 -0.547 319 2HD2 LEU 37 HD22 LEU 37 -0.635 -3.504 -0.231 320 3HD2 LEU 37 HD23 LEU 37 0.294 -2.706 1.037 321 H LEU 38 HN LEU 38 -4.413 -5.868 -0.048 322 HA LEU 38 HA LEU 38 -5.165 -6.600 2.699 323 1HB LEU 38 HB2 LEU 38 -7.033 -5.851 0.942 324 2HB LEU 38 HB1 LEU 38 -6.892 -7.535 0.474 325 HG LEU 38 HG LEU 38 -7.229 -6.972 3.369 326 1HD1 LEU 38 HD11 LEU 38 -8.861 -5.576 1.751 327 2HD1 LEU 38 HD12 LEU 38 -9.356 -6.228 3.313 328 3HD1 LEU 38 HD13 LEU 38 -9.739 -7.104 1.831 329 1HD2 LEU 38 HD21 LEU 38 -8.622 -8.985 1.628 330 2HD2 LEU 38 HD22 LEU 38 -8.345 -9.039 3.369 331 3HD2 LEU 38 HD23 LEU 38 -6.995 -9.250 2.254 332 H VAL 39 HN VAL 39 -4.571 -7.775 -0.605 333 HA VAL 39 HA VAL 39 -4.269 -10.497 0.253 334 HB VAL 39 HB VAL 39 -3.370 -9.301 -2.369 335 1HG1 VAL 39 HG11 VAL 39 -2.992 -11.393 -3.086 336 2HG1 VAL 39 HG12 VAL 39 -4.411 -12.039 -2.263 337 3HG1 VAL 39 HG13 VAL 39 -2.910 -11.792 -1.371 338 1HG2 VAL 39 HG21 VAL 39 -5.717 -10.475 -2.964 339 2HG2 VAL 39 HG22 VAL 39 -5.555 -8.762 -2.575 340 3HG2 VAL 39 HG23 VAL 39 -6.066 -9.904 -1.332 341 H ASP 40 HN ASP 40 -2.613 -11.050 1.484 342 HA ASP 40 HA ASP 40 0.093 -10.364 0.597 343 1HB ASP 40 HB2 ASP 40 -1.150 -9.739 3.228 344 2HB ASP 40 HB1 ASP 40 0.516 -10.308 3.242 345 H THR 41 HN THR 41 1.730 -11.764 1.928 346 HA THR 41 HA THR 41 0.589 -14.334 2.705 347 HB THR 41 HB THR 41 0.952 -14.741 0.395 348 HG1 THR 41 HG1 THR 41 3.276 -15.689 1.705 349 1HG2 THR 41 HG21 THR 41 3.538 -14.483 -0.297 350 2HG2 THR 41 HG22 THR 41 3.342 -13.076 0.749 351 3HG2 THR 41 HG23 THR 41 2.293 -13.286 -0.653 352 HA PRO 42 HA PRO 42 3.771 -13.028 5.797 353 1HB PRO 42 HB2 PRO 42 2.963 -15.192 7.408 354 2HB PRO 42 HB1 PRO 42 2.401 -13.522 7.582 355 1HG PRO 42 HG2 PRO 42 1.144 -15.824 6.155 356 2HG PRO 42 HG1 PRO 42 0.378 -14.535 7.093 357 1HD PRO 42 HD2 PRO 42 0.265 -14.497 4.464 358 2HD PRO 42 HD1 PRO 42 0.576 -12.992 5.352 359 H GLU 43 HN GLU 43 5.771 -13.633 5.268 360 HA GLU 43 HA GLU 43 7.642 -14.949 5.202 361 1HB GLU 43 HB2 GLU 43 6.232 -16.475 6.779 362 2HB GLU 43 HB1 GLU 43 6.016 -17.462 5.340 363 1HG GLU 43 HG2 GLU 43 8.734 -16.967 5.397 364 2HG GLU 43 HG1 GLU 43 8.307 -17.203 7.091 365 H THR 44 HN THR 44 5.016 -16.752 3.572 366 HA THR 44 HA THR 44 6.692 -17.449 1.375 367 HB THR 44 HB THR 44 3.782 -17.520 0.927 368 HG1 THR 44 HG1 THR 44 3.294 -18.318 2.786 369 1HG2 THR 44 HG21 THR 44 4.978 -20.085 1.039 370 2HG2 THR 44 HG22 THR 44 6.049 -19.006 0.145 371 3HG2 THR 44 HG23 THR 44 4.372 -19.205 -0.363 372 H LYS 45 HN LYS 45 5.969 -16.948 -0.925 373 HA LYS 45 HA LYS 45 5.433 -14.058 -1.128 374 1HB LYS 45 HB2 LYS 45 7.533 -15.654 -2.189 375 2HB LYS 45 HB1 LYS 45 6.557 -15.105 -3.544 376 1HG LYS 45 HG2 LYS 45 7.834 -13.362 -1.447 377 2HG LYS 45 HG1 LYS 45 8.369 -13.562 -3.117 378 1HD LYS 45 HD2 LYS 45 5.563 -12.698 -2.621 379 2HD LYS 45 HD1 LYS 45 6.859 -11.522 -2.387 380 1HE LYS 45 HE2 LYS 45 7.020 -13.098 -4.867 381 2HE LYS 45 HE1 LYS 45 5.638 -12.007 -4.757 382 1HZ LYS 45 HZ1 LYS 45 7.787 -11.109 -5.749 383 2HZ LYS 45 HZ2 LYS 45 8.377 -11.073 -4.165 384 3HZ LYS 45 HZ3 LYS 45 7.016 -10.159 -4.580 385 H HIS 46 HN HIS 46 4.238 -17.153 -1.878 386 HA HIS 46 HA HIS 46 2.816 -16.525 -4.262 387 1HB HIS 46 HB2 HIS 46 3.166 -18.808 -2.538 388 2HB HIS 46 HB1 HIS 46 1.458 -18.600 -2.908 389 HD1 HIS 46 HD1 HIS 46 1.357 -20.654 -4.432 390 HD2 HIS 46 HD2 HIS 46 4.149 -17.823 -5.635 391 HE1 HIS 46 HE1 HIS 46 2.053 -21.340 -6.749 392 HE2 HIS 46 HE2 HIS 46 3.680 -19.564 -7.490 393 HA PRO 47 HA PRO 47 -0.817 -14.596 -2.679 394 1HB PRO 47 HB2 PRO 47 -2.871 -15.755 -3.976 395 2HB PRO 47 HB1 PRO 47 -1.683 -14.748 -4.811 396 1HG PRO 47 HG2 PRO 47 -1.863 -17.732 -4.658 397 2HG PRO 47 HG1 PRO 47 -1.499 -16.703 -6.055 398 1HD PRO 47 HD2 PRO 47 0.413 -17.998 -4.596 399 2HD PRO 47 HD1 PRO 47 0.709 -16.482 -5.471 400 H LYS 48 HN LYS 48 0.034 -16.394 -0.776 401 HA LYS 48 HA LYS 48 -2.515 -17.461 0.227 402 1HB LYS 48 HB2 LYS 48 0.011 -18.856 -0.216 403 2HB LYS 48 HB1 LYS 48 -0.575 -19.028 1.433 404 1HG LYS 48 HG2 LYS 48 -2.188 -19.640 -1.035 405 2HG LYS 48 HG1 LYS 48 -1.325 -20.836 -0.066 406 1HD LYS 48 HD2 LYS 48 -2.762 -20.593 1.742 407 2HD LYS 48 HD1 LYS 48 -3.306 -18.998 1.221 408 1HE LYS 48 HE2 LYS 48 -5.134 -20.237 0.641 409 2HE LYS 48 HE1 LYS 48 -4.202 -20.361 -0.851 410 1HZ LYS 48 HZ1 LYS 48 -4.725 -22.393 1.189 411 2HZ LYS 48 HZ2 LYS 48 -3.244 -22.458 0.374 412 3HZ LYS 48 HZ3 LYS 48 -4.691 -22.539 -0.497 413 H LYS 49 HN LYS 49 -2.954 -15.809 1.604 414 HA LYS 49 HA LYS 49 -1.069 -14.544 3.272 415 1HB LYS 49 HB2 LYS 49 -3.020 -13.550 4.385 416 2HB LYS 49 HB1 LYS 49 -3.134 -13.439 2.633 417 1HG LYS 49 HG2 LYS 49 -5.049 -14.555 2.610 418 2HG LYS 49 HG1 LYS 49 -4.378 -15.857 3.594 419 1HD LYS 49 HD2 LYS 49 -4.668 -13.904 5.452 420 2HD LYS 49 HD1 LYS 49 -6.018 -13.542 4.375 421 1HE LYS 49 HE2 LYS 49 -6.663 -15.967 4.543 422 2HE LYS 49 HE1 LYS 49 -5.447 -16.128 5.809 423 1HZ LYS 49 HZ1 LYS 49 -7.858 -15.663 6.483 424 2HZ LYS 49 HZ2 LYS 49 -7.555 -14.072 5.997 425 3HZ LYS 49 HZ3 LYS 49 -6.636 -14.766 7.236 426 H GLY 50 HN GLY 50 0.017 -16.384 4.240 427 1HA GLY 50 HA2 GLY 50 -1.229 -18.294 5.866 428 2HA GLY 50 HA1 GLY 50 0.442 -17.771 6.024 429 H VAL 51 HN VAL 51 0.987 -16.744 7.878 430 HA VAL 51 HA VAL 51 -1.206 -15.516 9.407 431 HB VAL 51 HB VAL 51 1.193 -16.827 10.656 432 1HG1 VAL 51 HG11 VAL 51 -0.149 -16.717 12.698 433 2HG1 VAL 51 HG12 VAL 51 -1.448 -15.927 11.803 434 3HG1 VAL 51 HG13 VAL 51 0.103 -15.113 12.009 435 1HG2 VAL 51 HG21 VAL 51 -0.595 -18.575 11.321 436 2HG2 VAL 51 HG22 VAL 51 0.122 -18.658 9.712 437 3HG2 VAL 51 HG23 VAL 51 -1.482 -17.959 9.927 438 H GLU 52 HN GLU 52 -0.667 -13.516 8.336 439 HA GLU 52 HA GLU 52 1.685 -12.259 9.607 440 1HB GLU 52 HB2 GLU 52 1.964 -11.885 7.289 441 2HB GLU 52 HB1 GLU 52 0.239 -11.703 7.018 442 1HG GLU 52 HG2 GLU 52 1.324 -9.666 8.786 443 2HG GLU 52 HG1 GLU 52 2.089 -9.682 7.198 444 H LYS 53 HN LYS 53 0.551 -12.052 11.523 445 HA LYS 53 HA LYS 53 -1.335 -9.815 11.541 446 1HB LYS 53 HB2 LYS 53 -2.021 -12.581 12.152 447 2HB LYS 53 HB1 LYS 53 -2.416 -11.483 13.468 448 1HG LYS 53 HG2 LYS 53 -3.974 -10.341 12.235 449 2HG LYS 53 HG1 LYS 53 -3.219 -10.756 10.695 450 1HD LYS 53 HD2 LYS 53 -3.969 -13.202 11.802 451 2HD LYS 53 HD1 LYS 53 -5.317 -12.118 12.152 452 1HE LYS 53 HE2 LYS 53 -5.940 -12.828 10.077 453 2HE LYS 53 HE1 LYS 53 -4.956 -11.437 9.622 454 1HZ LYS 53 HZ1 LYS 53 -4.161 -13.100 8.261 455 2HZ LYS 53 HZ2 LYS 53 -4.305 -14.304 9.440 456 3HZ LYS 53 HZ3 LYS 53 -3.062 -13.162 9.546 457 H TYR 54 HN TYR 54 0.315 -8.557 12.526 458 HA TYR 54 HA TYR 54 0.613 -9.204 15.364 459 1HB TYR 54 HB2 TYR 54 3.012 -7.911 14.323 460 2HB TYR 54 HB1 TYR 54 2.853 -9.285 15.403 461 HD1 TYR 54 HD1 TYR 54 1.717 -11.424 13.843 462 HD2 TYR 54 HD2 TYR 54 4.407 -8.371 12.604 463 HE1 TYR 54 HE1 TYR 54 2.533 -12.877 12.042 464 HE2 TYR 54 HE2 TYR 54 5.221 -9.814 10.807 465 HH TYR 54 HH TYR 54 4.392 -11.761 9.475 466 H GLY 55 HN GLY 55 0.636 -6.782 12.820 467 1HA GLY 55 HA2 GLY 55 -0.600 -4.732 13.234 468 2HA GLY 55 HA1 GLY 55 0.011 -4.765 14.881 469 HA PRO 56 HA PRO 56 3.671 -2.393 14.201 470 1HB PRO 56 HB2 PRO 56 5.277 -4.917 13.997 471 2HB PRO 56 HB1 PRO 56 5.625 -3.434 14.904 472 1HG PRO 56 HG2 PRO 56 4.677 -5.536 16.180 473 2HG PRO 56 HG1 PRO 56 4.034 -3.923 16.548 474 1HD PRO 56 HD2 PRO 56 2.816 -6.129 14.957 475 2HD PRO 56 HD1 PRO 56 2.036 -4.957 16.036 476 H GLU 57 HN GLU 57 3.055 -5.021 11.999 477 HA GLU 57 HA GLU 57 4.886 -3.952 10.011 478 1HB GLU 57 HB2 GLU 57 3.106 -6.284 9.481 479 2HB GLU 57 HB1 GLU 57 4.747 -5.979 8.926 480 1HG GLU 57 HG2 GLU 57 3.984 -6.673 11.752 481 2HG GLU 57 HG1 GLU 57 4.602 -7.812 10.561 482 H ALA 58 HN ALA 58 1.443 -4.058 10.611 483 HA ALA 58 HA ALA 58 0.835 -3.244 7.899 484 1HB ALA 58 HB1 ALA 58 -0.522 -4.802 9.614 485 2HB ALA 58 HB2 ALA 58 -1.272 -3.934 8.273 486 3HB ALA 58 HB3 ALA 58 -1.322 -3.256 9.900 487 H SER 59 HN SER 59 -0.149 -1.941 11.076 488 HA SER 59 HA SER 59 -0.639 0.638 9.896 489 1HB SER 59 HB2 SER 59 -0.898 1.138 12.519 490 2HB SER 59 HB1 SER 59 -2.162 0.351 11.574 491 HG SER 59 HG SER 59 -1.827 -1.438 12.631 492 H ALA 60 HN ALA 60 1.969 -0.886 11.583 493 HA ALA 60 HA ALA 60 3.253 1.638 12.212 494 1HB ALA 60 HB1 ALA 60 3.471 -1.072 13.122 495 2HB ALA 60 HB2 ALA 60 4.036 0.414 13.882 496 3HB ALA 60 HB3 ALA 60 5.058 -0.426 12.715 497 H PHE 61 HN PHE 61 4.155 -1.281 10.297 498 HA PHE 61 HA PHE 61 6.447 -0.134 9.166 499 1HB PHE 61 HB2 PHE 61 5.366 -2.595 9.081 500 2HB PHE 61 HB1 PHE 61 4.919 -2.029 7.477 501 HD1 PHE 61 HD1 PHE 61 7.781 -2.577 9.752 502 HD2 PHE 61 HD2 PHE 61 6.497 -1.923 5.749 503 HE1 PHE 61 HE1 PHE 61 10.049 -3.090 8.945 504 HE2 PHE 61 HE2 PHE 61 8.760 -2.439 4.934 505 HZ PHE 61 HZ PHE 61 10.539 -3.022 6.531 506 H THR 62 HN THR 62 3.090 -0.084 8.119 507 HA THR 62 HA THR 62 3.447 1.030 5.584 508 HB THR 62 HB THR 62 1.202 0.992 7.569 509 HG1 THR 62 HG1 THR 62 0.372 -0.418 6.171 510 1HG2 THR 62 HG21 THR 62 1.394 2.803 5.251 511 2HG2 THR 62 HG22 THR 62 0.412 2.920 6.712 512 3HG2 THR 62 HG23 THR 62 -0.094 1.866 5.390 513 H LYS 63 HN LYS 63 2.331 2.791 8.479 514 HA LYS 63 HA LYS 63 2.758 5.348 7.449 515 1HB LYS 63 HB2 LYS 63 1.320 4.890 9.364 516 2HB LYS 63 HB1 LYS 63 2.712 4.408 10.319 517 1HG LYS 63 HG2 LYS 63 2.762 7.118 9.138 518 2HG LYS 63 HG1 LYS 63 1.637 6.830 10.466 519 1HD LYS 63 HD2 LYS 63 3.285 6.852 11.965 520 2HD LYS 63 HD1 LYS 63 4.220 5.676 11.038 521 1HE LYS 63 HE2 LYS 63 5.674 7.380 10.818 522 2HE LYS 63 HE1 LYS 63 4.580 7.890 9.533 523 1HZ LYS 63 HZ1 LYS 63 4.007 8.783 12.262 524 2HZ LYS 63 HZ2 LYS 63 3.736 9.571 10.789 525 3HZ LYS 63 HZ3 LYS 63 5.296 9.516 11.444 526 H LYS 64 HN LYS 64 4.897 3.240 9.321 527 HA LYS 64 HA LYS 64 6.895 5.112 9.901 528 1HB LYS 64 HB2 LYS 64 6.876 2.125 9.652 529 2HB LYS 64 HB1 LYS 64 8.392 2.978 9.901 530 1HG LYS 64 HG2 LYS 64 6.258 3.776 11.737 531 2HG LYS 64 HG1 LYS 64 6.755 2.088 11.880 532 1HD LYS 64 HD2 LYS 64 9.137 2.933 11.971 533 2HD LYS 64 HD1 LYS 64 8.463 4.554 12.145 534 1HE LYS 64 HE2 LYS 64 7.864 2.235 13.978 535 2HE LYS 64 HE1 LYS 64 9.059 3.489 14.306 536 1HZ LYS 64 HZ1 LYS 64 7.130 5.097 14.013 537 2HZ LYS 64 HZ2 LYS 64 7.155 4.175 15.430 538 3HZ LYS 64 HZ3 LYS 64 6.119 3.748 14.163 539 H MET 65 HN MET 65 6.992 2.621 7.340 540 HA MET 65 HA MET 65 9.293 3.356 6.077 541 1HB MET 65 HB2 MET 65 7.327 1.563 5.552 542 2HB MET 65 HB1 MET 65 7.098 2.693 4.225 543 1HG MET 65 HG2 MET 65 9.720 2.413 4.022 544 2HG MET 65 HG1 MET 65 9.363 0.875 4.806 545 1HE MET 65 HE1 MET 65 9.166 -1.092 1.683 546 2HE MET 65 HE2 MET 65 9.044 -1.169 3.441 547 3HE MET 65 HE3 MET 65 10.417 -0.358 2.687 548 H VAL 66 HN VAL 66 6.066 4.701 5.419 549 HA VAL 66 HA VAL 66 6.973 6.498 3.414 550 HB VAL 66 HB VAL 66 4.770 7.579 3.649 551 1HG1 VAL 66 HG11 VAL 66 5.114 4.664 3.269 552 2HG1 VAL 66 HG12 VAL 66 4.532 5.894 2.148 553 3HG1 VAL 66 HG13 VAL 66 3.463 5.267 3.402 554 1HG2 VAL 66 HG21 VAL 66 4.495 7.391 6.057 555 2HG2 VAL 66 HG22 VAL 66 4.391 5.635 5.925 556 3HG2 VAL 66 HG23 VAL 66 3.129 6.648 5.224 557 H GLU 67 HN GLU 67 7.343 6.554 6.765 558 HA GLU 67 HA GLU 67 7.296 9.449 6.999 559 1HB GLU 67 HB2 GLU 67 6.463 7.943 8.821 560 2HB GLU 67 HB1 GLU 67 8.119 7.406 9.066 561 1HG GLU 67 HG2 GLU 67 8.668 9.880 9.415 562 2HG GLU 67 HG1 GLU 67 6.927 10.103 9.584 563 H ASN 68 HN ASN 68 9.627 6.829 6.806 564 HA ASN 68 HA ASN 68 11.852 8.642 7.281 565 1HB ASN 68 HB2 ASN 68 13.242 6.579 6.984 566 2HB ASN 68 HB1 ASN 68 12.059 6.468 8.283 567 1HD2 ASN 68 HD21 ASN 68 11.608 4.368 8.356 568 2HD2 ASN 68 HD22 ASN 68 11.030 3.425 7.029 569 H ALA 69 HN ALA 69 10.217 7.092 4.629 570 HA ALA 69 HA ALA 69 12.293 8.025 2.770 571 1HB ALA 69 HB1 ALA 69 11.924 6.194 1.558 572 2HB ALA 69 HB2 ALA 69 10.179 6.454 1.563 573 3HB ALA 69 HB3 ALA 69 10.949 5.606 2.904 574 H LYS 70 HN LYS 70 11.885 10.081 2.218 575 HA LYS 70 HA LYS 70 9.382 11.319 2.167 576 1HB LYS 70 HB2 LYS 70 10.506 13.072 0.795 577 2HB LYS 70 HB1 LYS 70 11.380 12.647 2.259 578 1HG LYS 70 HG2 LYS 70 12.595 10.980 0.588 579 2HG LYS 70 HG1 LYS 70 12.097 12.206 -0.579 580 1HD LYS 70 HD2 LYS 70 13.674 12.728 1.940 581 2HD LYS 70 HD1 LYS 70 14.350 12.631 0.313 582 1HE LYS 70 HE2 LYS 70 14.054 14.855 0.293 583 2HE LYS 70 HE1 LYS 70 12.370 14.457 -0.040 584 1HZ LYS 70 HZ1 LYS 70 13.582 15.512 2.379 585 2HZ LYS 70 HZ2 LYS 70 12.384 14.341 2.614 586 3HZ LYS 70 HZ3 LYS 70 12.029 15.751 1.751 587 H LYS 71 HN LYS 71 10.962 9.311 -0.183 588 HA LYS 71 HA LYS 71 9.185 10.112 -2.328 589 1HB LYS 71 HB2 LYS 71 10.351 8.380 -3.647 590 2HB LYS 71 HB1 LYS 71 11.455 9.549 -2.932 591 1HG LYS 71 HG2 LYS 71 11.458 7.650 -1.017 592 2HG LYS 71 HG1 LYS 71 11.173 6.664 -2.452 593 1HD LYS 71 HD2 LYS 71 13.342 6.766 -2.921 594 2HD LYS 71 HD1 LYS 71 13.192 8.511 -3.130 595 1HE LYS 71 HE2 LYS 71 13.722 7.106 -0.514 596 2HE LYS 71 HE1 LYS 71 14.943 7.896 -1.508 597 1HZ LYS 71 HZ1 LYS 71 13.127 9.848 -1.214 598 2HZ LYS 71 HZ2 LYS 71 14.485 9.656 -0.226 599 3HZ LYS 71 HZ3 LYS 71 12.986 9.053 0.273 600 H ILE 72 HN ILE 72 7.136 9.545 -1.901 601 HA ILE 72 HA ILE 72 6.604 6.676 -1.510 602 HB ILE 72 HB ILE 72 4.856 8.925 -0.509 603 1HG1 ILE 72 HG12 ILE 72 5.869 7.430 1.654 604 2HG1 ILE 72 HG11 ILE 72 7.253 7.780 0.625 605 1HG2 ILE 72 HG21 ILE 72 4.760 5.993 0.169 606 2HG2 ILE 72 HG22 ILE 72 3.780 6.736 -1.094 607 3HG2 ILE 72 HG23 ILE 72 3.582 7.238 0.584 608 1HD1 ILE 72 HD11 ILE 72 6.488 10.192 0.664 609 2HD1 ILE 72 HD12 ILE 72 7.137 9.538 2.168 610 3HD1 ILE 72 HD13 ILE 72 5.393 9.714 1.962 611 H GLU 73 HN GLU 73 6.354 6.262 -3.709 612 HA GLU 73 HA GLU 73 4.335 7.817 -5.140 613 1HB GLU 73 HB2 GLU 73 6.773 6.699 -5.919 614 2HB GLU 73 HB1 GLU 73 5.550 5.701 -6.690 615 1HG GLU 73 HG2 GLU 73 4.531 7.735 -7.638 616 2HG GLU 73 HG1 GLU 73 5.835 8.685 -6.928 617 H VAL 74 HN VAL 74 2.455 6.987 -5.896 618 HA VAL 74 HA VAL 74 1.764 4.288 -4.947 619 HB VAL 74 HB VAL 74 -0.135 6.556 -5.553 620 1HG1 VAL 74 HG11 VAL 74 -0.465 3.796 -4.434 621 2HG1 VAL 74 HG12 VAL 74 -1.338 4.571 -5.755 622 3HG1 VAL 74 HG13 VAL 74 -1.633 5.072 -4.089 623 1HG2 VAL 74 HG21 VAL 74 1.230 5.728 -3.022 624 2HG2 VAL 74 HG22 VAL 74 -0.370 6.467 -2.972 625 3HG2 VAL 74 HG23 VAL 74 0.984 7.344 -3.684 626 H GLU 75 HN GLU 75 0.809 2.837 -6.297 627 HA GLU 75 HA GLU 75 0.779 3.544 -9.150 628 1HB GLU 75 HB2 GLU 75 2.292 1.719 -8.589 629 2HB GLU 75 HB1 GLU 75 0.990 0.853 -7.786 630 1HG GLU 75 HG2 GLU 75 -0.035 1.233 -10.287 631 2HG GLU 75 HG1 GLU 75 1.682 1.008 -10.615 632 H PHE 76 HN PHE 76 -1.366 4.578 -8.276 633 HA PHE 76 HA PHE 76 -3.506 2.581 -8.280 634 1HB PHE 76 HB2 PHE 76 -4.728 3.964 -6.954 635 2HB PHE 76 HB1 PHE 76 -3.139 4.584 -6.549 636 HD1 PHE 76 HD1 PHE 76 -6.166 5.721 -6.731 637 HD2 PHE 76 HD2 PHE 76 -2.536 6.279 -8.877 638 HE1 PHE 76 HE1 PHE 76 -6.906 7.969 -7.380 639 HE2 PHE 76 HE2 PHE 76 -3.271 8.532 -9.539 640 HZ PHE 76 HZ PHE 76 -5.460 9.381 -8.791 641 H ASP 77 HN ASP 77 -5.303 2.731 -9.634 642 HA ASP 77 HA ASP 77 -4.742 3.733 -12.258 643 1HB ASP 77 HB2 ASP 77 -5.978 1.575 -11.688 644 2HB ASP 77 HB1 ASP 77 -7.367 2.587 -11.297 645 H LYS 78 HN LYS 78 -6.318 5.041 -13.485 646 HA LYS 78 HA LYS 78 -7.230 7.292 -11.851 647 1HB LYS 78 HB2 LYS 78 -6.452 6.953 -14.716 648 2HB LYS 78 HB1 LYS 78 -7.559 8.251 -14.293 649 1HG LYS 78 HG2 LYS 78 -5.755 9.477 -13.881 650 2HG LYS 78 HG1 LYS 78 -5.548 8.501 -12.425 651 1HD LYS 78 HD2 LYS 78 -4.491 7.170 -14.776 652 2HD LYS 78 HD1 LYS 78 -3.751 8.753 -14.531 653 1HE LYS 78 HE2 LYS 78 -2.391 7.676 -13.114 654 2HE LYS 78 HE1 LYS 78 -3.755 7.744 -11.999 655 1HZ LYS 78 HZ1 LYS 78 -3.988 5.519 -13.745 656 2HZ LYS 78 HZ2 LYS 78 -3.936 5.549 -12.055 657 3HZ LYS 78 HZ3 LYS 78 -2.498 5.484 -12.945 658 H GLY 79 HN GLY 79 -8.717 4.815 -11.921 659 1HA GLY 79 HA2 GLY 79 -11.321 5.893 -12.460 660 2HA GLY 79 HA1 GLY 79 -10.868 4.608 -13.576 661 H GLN 80 HN GLN 80 -9.804 4.797 -10.271 662 HA GLN 80 HA GLN 80 -10.795 2.163 -9.768 663 1HB GLN 80 HB2 GLN 80 -9.080 2.142 -8.354 664 2HB GLN 80 HB1 GLN 80 -8.759 3.823 -8.736 665 1HG GLN 80 HG2 GLN 80 -8.929 3.913 -6.469 666 2HG GLN 80 HG1 GLN 80 -10.586 4.280 -6.920 667 1HE2 GLN 80 HE21 GLN 80 -11.028 3.565 -4.716 668 2HE2 GLN 80 HE22 GLN 80 -11.239 1.879 -4.409 669 H ARG 81 HN ARG 81 -12.575 1.593 -8.857 670 HA ARG 81 HA ARG 81 -14.721 3.306 -8.381 671 1HB ARG 81 HB2 ARG 81 -14.717 0.759 -8.742 672 2HB ARG 81 HB1 ARG 81 -14.438 0.640 -7.010 673 1HG ARG 81 HG2 ARG 81 -16.521 2.056 -6.723 674 2HG ARG 81 HG1 ARG 81 -16.828 1.764 -8.435 675 1HD ARG 81 HD2 ARG 81 -16.628 -0.276 -6.229 676 2HD ARG 81 HD1 ARG 81 -18.052 0.139 -7.182 677 HE ARG 81 HE ARG 81 -15.990 -1.690 -7.896 678 1HH1 ARG 81 HH11 ARG 81 -18.259 0.607 -9.218 679 2HH1 ARG 81 HH12 ARG 81 -18.335 -0.168 -10.764 680 1HH2 ARG 81 HH21 ARG 81 -16.087 -2.711 -9.929 681 2HH2 ARG 81 HH22 ARG 81 -17.103 -2.053 -11.167 682 H THR 82 HN THR 82 -14.893 4.822 -6.874 683 HA THR 82 HA THR 82 -13.398 4.658 -4.407 684 HB THR 82 HB THR 82 -14.116 6.916 -4.017 685 HG1 THR 82 HG1 THR 82 -15.935 7.623 -4.749 686 1HG2 THR 82 HG21 THR 82 -13.809 7.829 -6.527 687 2HG2 THR 82 HG22 THR 82 -13.123 6.212 -6.686 688 3HG2 THR 82 HG23 THR 82 -12.476 7.330 -5.485 689 H ASP 83 HN ASP 83 -14.580 5.426 -2.352 690 HA ASP 83 HA ASP 83 -17.272 4.300 -2.147 691 1HB ASP 83 HB2 ASP 83 -14.834 3.213 -0.897 692 2HB ASP 83 HB1 ASP 83 -16.200 3.410 0.196 693 H LYS 84 HN LYS 84 -15.190 5.099 0.592 694 HA LYS 84 HA LYS 84 -17.113 7.080 1.453 695 1HB LYS 84 HB2 LYS 84 -14.816 5.657 2.681 696 2HB LYS 84 HB1 LYS 84 -15.196 7.246 3.330 697 1HG LYS 84 HG2 LYS 84 -17.655 6.167 3.297 698 2HG LYS 84 HG1 LYS 84 -16.682 4.713 3.529 699 1HD LYS 84 HD2 LYS 84 -15.664 5.630 5.495 700 2HD LYS 84 HD1 LYS 84 -16.412 7.202 5.207 701 1HE LYS 84 HE2 LYS 84 -18.561 6.389 5.729 702 2HE LYS 84 HE1 LYS 84 -18.036 4.709 5.623 703 1HZ LYS 84 HZ1 LYS 84 -16.437 5.737 7.553 704 2HZ LYS 84 HZ2 LYS 84 -17.846 4.842 7.827 705 3HZ LYS 84 HZ3 LYS 84 -17.904 6.532 7.838 706 H TYR 85 HN TYR 85 -13.716 7.653 2.115 707 HA TYR 85 HA TYR 85 -13.942 10.325 1.059 708 1HB TYR 85 HB2 TYR 85 -11.974 8.815 2.675 709 2HB TYR 85 HB1 TYR 85 -11.289 10.067 1.636 710 HD1 TYR 85 HD1 TYR 85 -11.193 12.241 2.425 711 HD2 TYR 85 HD2 TYR 85 -14.012 9.561 4.148 712 HE1 TYR 85 HE1 TYR 85 -11.797 13.953 4.084 713 HE2 TYR 85 HE2 TYR 85 -14.624 11.266 5.812 714 HH TYR 85 HH TYR 85 -13.620 14.530 5.556 715 H GLY 86 HN GLY 86 -14.489 9.032 -1.073 716 1HA GLY 86 HA2 GLY 86 -13.892 8.597 -3.242 717 2HA GLY 86 HA1 GLY 86 -12.489 9.613 -2.940 718 H ARG 87 HN ARG 87 -12.940 6.868 -0.910 719 HA ARG 87 HA ARG 87 -10.728 5.636 -0.731 720 1HB ARG 87 HB2 ARG 87 -13.299 4.327 -1.514 721 2HB ARG 87 HB1 ARG 87 -11.855 3.353 -1.286 722 1HG ARG 87 HG2 ARG 87 -13.001 5.220 0.776 723 2HG ARG 87 HG1 ARG 87 -13.279 3.479 0.724 724 1HD ARG 87 HD2 ARG 87 -10.839 3.126 0.919 725 2HD ARG 87 HD1 ARG 87 -10.625 4.870 1.066 726 HE ARG 87 HE ARG 87 -11.440 3.072 3.116 727 1HH1 ARG 87 HH11 ARG 87 -11.847 6.336 1.950 728 2HH1 ARG 87 HH12 ARG 87 -12.246 6.976 3.508 729 1HH2 ARG 87 HH21 ARG 87 -11.966 3.914 5.168 730 2HH2 ARG 87 HH22 ARG 87 -12.311 5.603 5.335 731 H TRP 88 HN TRP 88 -9.009 5.116 -1.839 732 HA TRP 88 HA TRP 88 -9.305 4.452 -4.692 733 1HB TRP 88 HB2 TRP 88 -7.241 6.178 -3.338 734 2HB TRP 88 HB1 TRP 88 -7.051 5.569 -4.975 735 HD1 TRP 88 HD1 TRP 88 -8.681 8.287 -2.970 736 HE1 TRP 88 HE1 TRP 88 -9.950 9.889 -4.532 737 HE3 TRP 88 HE3 TRP 88 -8.442 5.568 -7.298 738 HZ2 TRP 88 HZ2 TRP 88 -10.742 9.991 -7.239 739 HZ3 TRP 88 HZ3 TRP 88 -9.481 6.490 -9.325 740 HH2 TRP 88 HH2 TRP 88 -10.605 8.657 -9.297 741 H LEU 89 HN LEU 89 -7.944 2.861 -5.521 742 HA LEU 89 HA LEU 89 -6.863 1.026 -3.585 743 1HB LEU 89 HB2 LEU 89 -6.666 -0.491 -5.312 744 2HB LEU 89 HB1 LEU 89 -8.001 0.504 -5.849 745 HG LEU 89 HG LEU 89 -6.709 0.149 -7.767 746 1HD1 LEU 89 HD11 LEU 89 -5.393 2.471 -7.930 747 2HD1 LEU 89 HD12 LEU 89 -6.426 2.822 -6.557 748 3HD1 LEU 89 HD13 LEU 89 -7.140 2.334 -8.088 749 1HD2 LEU 89 HD21 LEU 89 -4.566 -0.112 -5.937 750 2HD2 LEU 89 HD22 LEU 89 -4.115 1.114 -7.121 751 3HD2 LEU 89 HD23 LEU 89 -4.597 -0.496 -7.658 752 H ALA 90 HN ALA 90 -4.593 0.306 -3.586 753 HA ALA 90 HA ALA 90 -2.550 1.566 -4.998 754 1HB ALA 90 HB1 ALA 90 -3.361 2.989 -2.491 755 2HB ALA 90 HB2 ALA 90 -3.011 3.653 -4.086 756 3HB ALA 90 HB3 ALA 90 -1.699 3.048 -3.076 757 H TYR 91 HN TYR 91 -0.417 1.193 -4.141 758 HA TYR 91 HA TYR 91 -0.361 -1.077 -2.273 759 1HB TYR 91 HB2 TYR 91 1.415 -0.324 -4.591 760 2HB TYR 91 HB1 TYR 91 1.927 -1.485 -3.370 761 HD1 TYR 91 HD1 TYR 91 -1.320 -0.936 -5.164 762 HD2 TYR 91 HD2 TYR 91 1.857 -3.617 -4.240 763 HE1 TYR 91 HE1 TYR 91 -2.485 -2.728 -6.377 764 HE2 TYR 91 HE2 TYR 91 0.699 -5.414 -5.452 765 HH TYR 91 HH TYR 91 -1.122 -5.405 -7.460 766 H ILE 92 HN ILE 92 1.042 2.018 -3.113 767 HA ILE 92 HA ILE 92 2.299 3.519 -1.963 768 HB ILE 92 HB ILE 92 1.480 2.008 0.514 769 1HG1 ILE 92 HG12 ILE 92 -0.238 4.143 0.294 770 2HG1 ILE 92 HG11 ILE 92 -0.098 3.609 -1.378 771 1HG2 ILE 92 HG21 ILE 92 2.133 3.813 1.725 772 2HG2 ILE 92 HG22 ILE 92 1.766 4.954 0.430 773 3HG2 ILE 92 HG23 ILE 92 3.245 3.995 0.368 774 1HD1 ILE 92 HD11 ILE 92 -1.979 2.627 0.013 775 2HD1 ILE 92 HD12 ILE 92 -0.729 1.704 0.847 776 3HD1 ILE 92 HD13 ILE 92 -0.971 1.494 -0.887 777 H TYR 93 HN TYR 93 4.449 3.604 -1.947 778 HA TYR 93 HA TYR 93 5.938 1.648 -0.391 779 1HB TYR 93 HB2 TYR 93 7.585 1.388 -2.310 780 2HB TYR 93 HB1 TYR 93 6.059 0.538 -2.458 781 HD1 TYR 93 HD1 TYR 93 4.963 0.622 -4.457 782 HD2 TYR 93 HD2 TYR 93 7.598 3.808 -3.439 783 HE1 TYR 93 HE1 TYR 93 4.620 1.608 -6.682 784 HE2 TYR 93 HE2 TYR 93 7.259 4.802 -5.662 785 HH TYR 93 HH TYR 93 6.581 3.941 -7.982 786 H ALA 94 HN ALA 94 7.862 2.346 0.398 787 HA ALA 94 HA ALA 94 8.509 5.174 -0.108 788 1HB ALA 94 HB1 ALA 94 9.655 4.206 2.335 789 2HB ALA 94 HB2 ALA 94 7.926 3.860 2.308 790 3HB ALA 94 HB3 ALA 94 8.498 5.513 2.088 791 H ASP 95 HN ASP 95 10.352 5.510 -1.141 792 HA ASP 95 HA ASP 95 12.546 5.359 -1.757 793 1HB ASP 95 HB2 ASP 95 12.592 4.206 0.747 794 2HB ASP 95 HB1 ASP 95 13.270 2.939 -0.271 795 H GLY 96 HN GLY 96 10.292 3.862 -2.957 796 1HA GLY 96 HA2 GLY 96 10.250 2.670 -4.966 797 2HA GLY 96 HA1 GLY 96 11.915 2.187 -4.689 798 H LYS 97 HN LYS 97 10.844 1.408 -1.845 799 HA LYS 97 HA LYS 97 9.920 -1.254 -2.695 800 1HB LYS 97 HB2 LYS 97 10.779 -1.989 -0.439 801 2HB LYS 97 HB1 LYS 97 12.009 -1.450 -1.574 802 1HG LYS 97 HG2 LYS 97 12.383 0.535 -0.421 803 2HG LYS 97 HG1 LYS 97 10.848 0.430 0.445 804 1HD LYS 97 HD2 LYS 97 11.703 -1.538 1.663 805 2HD LYS 97 HD1 LYS 97 13.252 -1.352 0.836 806 1HE LYS 97 HE2 LYS 97 13.660 0.736 1.890 807 2HE LYS 97 HE1 LYS 97 12.008 0.828 2.496 808 1HZ LYS 97 HZ1 LYS 97 12.501 -1.152 3.864 809 2HZ LYS 97 HZ2 LYS 97 13.449 0.188 4.271 810 3HZ LYS 97 HZ3 LYS 97 14.115 -1.074 3.362 811 H MET 98 HN MET 98 7.987 -1.978 -2.047 812 HA MET 98 HA MET 98 6.192 -0.222 -0.698 813 1HB MET 98 HB2 MET 98 5.781 -3.154 -1.293 814 2HB MET 98 HB1 MET 98 4.539 -1.946 -0.995 815 1HG MET 98 HG2 MET 98 4.889 -0.912 -3.067 816 2HG MET 98 HG1 MET 98 6.433 -1.729 -3.308 817 1HE MET 98 HE1 MET 98 5.904 -4.620 -5.158 818 2HE MET 98 HE2 MET 98 6.781 -3.143 -4.760 819 3HE MET 98 HE3 MET 98 5.538 -3.120 -6.010 820 H VAL 99 HN VAL 99 5.390 -0.295 1.360 821 HA VAL 99 HA VAL 99 6.960 -1.071 3.464 822 HB VAL 99 HB VAL 99 4.943 -0.972 4.890 823 1HG1 VAL 99 HG11 VAL 99 4.194 1.366 3.677 824 2HG1 VAL 99 HG12 VAL 99 5.810 1.099 3.023 825 3HG1 VAL 99 HG13 VAL 99 5.567 1.172 4.768 826 1HG2 VAL 99 HG21 VAL 99 2.775 -0.402 3.813 827 2HG2 VAL 99 HG22 VAL 99 3.326 -2.042 3.470 828 3HG2 VAL 99 HG23 VAL 99 3.498 -0.779 2.251 829 H ASN 100 HN ASN 100 4.520 -2.967 1.782 830 HA ASN 100 HA ASN 100 4.742 -5.206 3.579 831 1HB ASN 100 HB2 ASN 100 3.345 -6.364 1.821 832 2HB ASN 100 HB1 ASN 100 2.622 -4.915 2.511 833 1HD2 ASN 100 HD21 ASN 100 2.494 -6.412 -0.157 834 2HD2 ASN 100 HD22 ASN 100 2.640 -5.150 -1.330 835 H GLU 101 HN GLU 101 6.102 -4.200 0.521 836 HA GLU 101 HA GLU 101 7.184 -6.613 -0.367 837 1HB GLU 101 HB2 GLU 101 7.608 -3.760 -0.904 838 2HB GLU 101 HB1 GLU 101 9.034 -4.752 -1.176 839 1HG GLU 101 HG2 GLU 101 6.947 -6.164 -2.355 840 2HG GLU 101 HG1 GLU 101 6.653 -4.476 -2.769 841 H ALA 102 HN ALA 102 8.772 -4.051 1.539 842 HA ALA 102 HA ALA 102 11.069 -5.699 2.057 843 1HB ALA 102 HB1 ALA 102 10.231 -2.936 2.760 844 2HB ALA 102 HB2 ALA 102 11.706 -3.508 1.981 845 3HB ALA 102 HB3 ALA 102 11.496 -3.702 3.721 846 H LEU 103 HN LEU 103 8.013 -5.738 3.319 847 HA LEU 103 HA LEU 103 8.319 -5.852 6.073 848 1HB LEU 103 HB2 LEU 103 6.244 -6.162 4.371 849 2HB LEU 103 HB1 LEU 103 6.480 -7.827 4.862 850 HG LEU 103 HG LEU 103 6.029 -7.314 7.143 851 1HD1 LEU 103 HD11 LEU 103 5.312 -4.719 7.432 852 2HD1 LEU 103 HD12 LEU 103 6.660 -4.577 6.303 853 3HD1 LEU 103 HD13 LEU 103 6.893 -5.374 7.859 854 1HD2 LEU 103 HD21 LEU 103 3.768 -6.430 7.028 855 2HD2 LEU 103 HD22 LEU 103 4.074 -7.538 5.691 856 3HD2 LEU 103 HD23 LEU 103 4.084 -5.796 5.412 857 H VAL 104 HN VAL 104 9.192 -8.170 3.632 858 HA VAL 104 HA VAL 104 9.334 -10.543 5.005 859 HB VAL 104 HB VAL 104 11.472 -10.940 3.559 860 1HG1 VAL 104 HG11 VAL 104 9.868 -11.018 1.496 861 2HG1 VAL 104 HG12 VAL 104 8.639 -10.610 2.693 862 3HG1 VAL 104 HG13 VAL 104 9.597 -12.079 2.880 863 1HG2 VAL 104 HG21 VAL 104 11.356 -8.261 3.200 864 2HG2 VAL 104 HG22 VAL 104 10.465 -8.821 1.784 865 3HG2 VAL 104 HG23 VAL 104 12.114 -9.380 2.067 866 H ARG 105 HN ARG 105 11.027 -7.731 5.809 867 HA ARG 105 HA ARG 105 13.467 -8.064 6.616 868 1HB ARG 105 HB2 ARG 105 13.102 -6.668 8.456 869 2HB ARG 105 HB1 ARG 105 11.760 -6.307 7.381 870 1HG ARG 105 HG2 ARG 105 10.318 -7.784 8.715 871 2HG ARG 105 HG1 ARG 105 11.666 -8.072 9.817 872 1HD ARG 105 HD2 ARG 105 11.037 -5.245 9.284 873 2HD ARG 105 HD1 ARG 105 9.805 -6.145 10.168 874 HE ARG 105 HE ARG 105 12.206 -6.725 11.396 875 1HH1 ARG 105 HH11 ARG 105 10.297 -3.872 10.772 876 2HH1 ARG 105 HH12 ARG 105 10.852 -3.039 12.186 877 1HH2 ARG 105 HH21 ARG 105 12.936 -5.635 13.256 878 2HH2 ARG 105 HH22 ARG 105 12.351 -4.039 13.596 879 H GLN 106 HN GLN 106 10.838 -9.706 8.393 880 HA GLN 106 HA GLN 106 12.884 -11.520 9.492 881 1HB GLN 106 HB2 GLN 106 11.228 -11.835 11.410 882 2HB GLN 106 HB1 GLN 106 12.115 -10.320 11.346 883 1HG GLN 106 HG2 GLN 106 9.863 -9.835 11.916 884 2HG GLN 106 HG1 GLN 106 10.145 -9.272 10.270 885 1HE2 GLN 106 HE21 GLN 106 8.812 -9.916 8.728 886 2HE2 GLN 106 HE22 GLN 106 7.626 -11.160 8.886 887 H GLY 107 HN GLY 107 10.345 -11.353 7.377 888 1HA GLY 107 HA2 GLY 107 10.004 -13.573 6.248 889 2HA GLY 107 HA1 GLY 107 9.620 -14.178 7.852 890 H LEU 108 HN LEU 108 8.601 -11.028 6.727 891 HA LEU 108 HA LEU 108 5.831 -11.808 7.111 892 1HB LEU 108 HB2 LEU 108 7.336 -9.292 7.023 893 2HB LEU 108 HB1 LEU 108 5.735 -9.206 6.322 894 HG LEU 108 HG LEU 108 5.858 -10.506 8.961 895 1HD1 LEU 108 HD11 LEU 108 7.508 -8.416 8.799 896 2HD1 LEU 108 HD12 LEU 108 6.539 -8.751 10.232 897 3HD1 LEU 108 HD13 LEU 108 5.996 -7.552 9.061 898 1HD2 LEU 108 HD21 LEU 108 4.072 -8.298 8.797 899 2HD2 LEU 108 HD22 LEU 108 3.687 -10.027 8.817 900 3HD2 LEU 108 HD23 LEU 108 3.973 -9.199 7.283 901 H ALA 109 HN ALA 109 4.309 -10.511 5.495 902 HA ALA 109 HA ALA 109 4.224 -11.912 3.136 903 1HB ALA 109 HB1 ALA 109 3.056 -9.238 3.843 904 2HB ALA 109 HB2 ALA 109 2.274 -10.817 3.895 905 3HB ALA 109 HB3 ALA 109 2.684 -10.086 2.342 906 H LYS 110 HN LYS 110 4.650 -11.439 0.975 907 HA LYS 110 HA LYS 110 5.873 -10.706 -0.791 908 1HB LYS 110 HB2 LYS 110 6.429 -8.119 0.608 909 2HB LYS 110 HB1 LYS 110 6.131 -8.414 -1.096 910 1HG LYS 110 HG2 LYS 110 4.022 -8.695 1.031 911 2HG LYS 110 HG1 LYS 110 4.303 -7.214 0.115 912 1HD LYS 110 HD2 LYS 110 3.415 -8.064 -1.794 913 2HD LYS 110 HD1 LYS 110 3.979 -9.702 -1.453 914 1HE LYS 110 HE2 LYS 110 2.216 -9.742 0.390 915 2HE LYS 110 HE1 LYS 110 1.556 -8.294 -0.368 916 1HZ LYS 110 HZ1 LYS 110 0.363 -9.976 -1.362 917 2HZ LYS 110 HZ2 LYS 110 1.677 -11.041 -1.421 918 3HZ LYS 110 HZ3 LYS 110 1.601 -9.733 -2.491 Start of MODEL 7 1 1H ALA 1 HT1 ALA 1 -5.419 -7.553 -32.154 2 2H ALA 1 HT2 ALA 1 -6.032 -6.079 -32.784 3 3H ALA 1 HT3 ALA 1 -6.926 -6.949 -31.605 4 HA ALA 1 HA ALA 1 -4.238 -5.869 -31.133 5 1HB ALA 1 HB1 ALA 1 -6.327 -4.272 -31.693 6 2HB ALA 1 HB2 ALA 1 -5.053 -3.847 -30.549 7 3HB ALA 1 HB3 ALA 1 -6.579 -4.510 -29.963 8 H THR 2 HN THR 2 -3.786 -5.724 -28.843 9 HA THR 2 HA THR 2 -5.299 -7.708 -27.274 10 HB THR 2 HB THR 2 -2.462 -7.076 -26.606 11 HG1 THR 2 HG1 THR 2 -1.664 -8.244 -28.222 12 1HG2 THR 2 HG21 THR 2 -3.749 -9.772 -26.733 13 2HG2 THR 2 HG22 THR 2 -3.968 -8.709 -25.343 14 3HG2 THR 2 HG23 THR 2 -2.351 -9.248 -25.795 15 H SER 3 HN SER 3 -6.098 -7.096 -25.356 16 HA SER 3 HA SER 3 -6.046 -4.352 -24.609 17 1HB SER 3 HB2 SER 3 -7.314 -6.835 -23.583 18 2HB SER 3 HB1 SER 3 -7.112 -5.514 -22.430 19 HG SER 3 HG SER 3 -8.993 -5.024 -23.351 20 H THR 4 HN THR 4 -4.215 -3.479 -23.860 21 HA THR 4 HA THR 4 -2.637 -4.984 -21.889 22 HB THR 4 HB THR 4 -0.902 -3.163 -22.411 23 HG1 THR 4 HG1 THR 4 -1.321 -1.801 -23.954 24 1HG2 THR 4 HG21 THR 4 -0.110 -4.229 -24.430 25 2HG2 THR 4 HG22 THR 4 -1.680 -5.000 -24.662 26 3HG2 THR 4 HG23 THR 4 -0.678 -5.438 -23.278 27 H LYS 5 HN LYS 5 -3.025 -4.486 -19.844 28 HA LYS 5 HA LYS 5 -4.325 -2.039 -19.093 29 1HB LYS 5 HB2 LYS 5 -3.886 -4.602 -17.928 30 2HB LYS 5 HB1 LYS 5 -3.268 -3.391 -16.813 31 1HG LYS 5 HG2 LYS 5 -5.352 -2.387 -16.556 32 2HG LYS 5 HG1 LYS 5 -5.994 -3.129 -18.022 33 1HD LYS 5 HD2 LYS 5 -6.528 -5.051 -16.968 34 2HD LYS 5 HD1 LYS 5 -5.084 -5.013 -15.954 35 1HE LYS 5 HE2 LYS 5 -6.088 -3.718 -14.337 36 2HE LYS 5 HE1 LYS 5 -7.249 -3.023 -15.467 37 1HZ LYS 5 HZ1 LYS 5 -8.573 -4.453 -14.305 38 2HZ LYS 5 HZ2 LYS 5 -7.344 -5.588 -14.048 39 3HZ LYS 5 HZ3 LYS 5 -8.091 -5.478 -15.562 40 H LYS 6 HN LYS 6 -3.201 -0.200 -19.125 41 HA LYS 6 HA LYS 6 -0.493 -0.206 -17.963 42 1HB LYS 6 HB2 LYS 6 -0.688 0.321 -20.435 43 2HB LYS 6 HB1 LYS 6 -1.540 1.787 -19.970 44 1HG LYS 6 HG2 LYS 6 0.700 2.411 -20.337 45 2HG LYS 6 HG1 LYS 6 0.480 2.383 -18.586 46 1HD LYS 6 HD2 LYS 6 2.473 1.256 -18.790 47 2HD LYS 6 HD1 LYS 6 1.327 -0.086 -18.829 48 1HE LYS 6 HE2 LYS 6 2.597 -0.626 -20.644 49 2HE LYS 6 HE1 LYS 6 1.397 0.402 -21.426 50 1HZ LYS 6 HZ1 LYS 6 3.972 1.459 -20.416 51 2HZ LYS 6 HZ2 LYS 6 2.891 2.195 -21.488 52 3HZ LYS 6 HZ3 LYS 6 3.795 0.855 -21.987 53 H LEU 7 HN LEU 7 -0.569 0.604 -15.973 54 HA LEU 7 HA LEU 7 -2.557 2.621 -15.288 55 1HB LEU 7 HB2 LEU 7 -1.952 2.225 -12.999 56 2HB LEU 7 HB1 LEU 7 -2.186 0.682 -13.800 57 HG LEU 7 HG LEU 7 0.486 0.981 -14.114 58 1HD1 LEU 7 HD11 LEU 7 1.512 2.189 -12.513 59 2HD1 LEU 7 HD12 LEU 7 0.277 1.837 -11.304 60 3HD1 LEU 7 HD13 LEU 7 -0.004 3.088 -12.515 61 1HD2 LEU 7 HD21 LEU 7 0.690 -0.766 -12.625 62 2HD2 LEU 7 HD22 LEU 7 -1.021 -0.859 -13.045 63 3HD2 LEU 7 HD23 LEU 7 -0.524 -0.112 -11.526 64 H HIS 8 HN HIS 8 -2.001 4.606 -14.262 65 HA HIS 8 HA HIS 8 0.506 5.710 -15.269 66 1HB HIS 8 HB2 HIS 8 -2.148 6.787 -14.573 67 2HB HIS 8 HB1 HIS 8 -0.793 7.821 -14.132 68 HD1 HIS 8 HD1 HIS 8 -3.016 7.218 -16.837 69 HD2 HIS 8 HD2 HIS 8 1.025 8.142 -16.538 70 HE1 HIS 8 HE1 HIS 8 -2.365 8.128 -19.090 71 HE2 HIS 8 HE2 HIS 8 0.059 8.771 -18.853 72 H LYS 9 HN LYS 9 1.816 7.105 -13.910 73 HA LYS 9 HA LYS 9 2.047 6.014 -11.213 74 1HB LYS 9 HB2 LYS 9 3.907 6.760 -13.180 75 2HB LYS 9 HB1 LYS 9 4.081 7.950 -11.897 76 1HG LYS 9 HG2 LYS 9 3.993 5.060 -11.186 77 2HG LYS 9 HG1 LYS 9 5.470 5.738 -11.874 78 1HD LYS 9 HD2 LYS 9 5.997 6.369 -9.800 79 2HD LYS 9 HD1 LYS 9 4.728 7.586 -9.952 80 1HE LYS 9 HE2 LYS 9 4.201 6.479 -7.969 81 2HE LYS 9 HE1 LYS 9 3.136 5.734 -9.162 82 1HZ LYS 9 HZ1 LYS 9 4.929 3.983 -9.382 83 2HZ LYS 9 HZ2 LYS 9 4.040 3.972 -7.943 84 3HZ LYS 9 HZ3 LYS 9 5.602 4.620 -7.966 85 H GLU 10 HN GLU 10 1.262 7.068 -9.518 86 HA GLU 10 HA GLU 10 1.155 10.001 -9.595 87 1HB GLU 10 HB2 GLU 10 -1.088 8.109 -8.945 88 2HB GLU 10 HB1 GLU 10 -1.066 9.748 -8.310 89 1HG GLU 10 HG2 GLU 10 -2.221 10.200 -10.176 90 2HG GLU 10 HG1 GLU 10 -0.619 10.256 -10.909 91 HA PRO 11 HA PRO 11 3.022 9.080 -5.592 92 1HB PRO 11 HB2 PRO 11 4.217 11.434 -5.231 93 2HB PRO 11 HB1 PRO 11 4.825 10.277 -6.421 94 1HG PRO 11 HG2 PRO 11 3.188 12.741 -6.838 95 2HG PRO 11 HG1 PRO 11 4.526 12.105 -7.812 96 1HD PRO 11 HD2 PRO 11 1.835 11.783 -8.398 97 2HD PRO 11 HD1 PRO 11 3.141 10.761 -9.025 98 H ALA 12 HN ALA 12 2.642 9.714 -3.457 99 HA ALA 12 HA ALA 12 1.089 12.005 -2.775 100 1HB ALA 12 HB1 ALA 12 -0.790 10.854 -3.582 101 2HB ALA 12 HB2 ALA 12 -0.827 10.623 -1.834 102 3HB ALA 12 HB3 ALA 12 -0.259 9.325 -2.884 103 H THR 13 HN THR 13 0.740 12.176 -0.450 104 HA THR 13 HA THR 13 2.858 10.817 0.994 105 HB THR 13 HB THR 13 0.932 12.848 2.113 106 HG1 THR 13 HG1 THR 13 1.807 13.840 0.349 107 1HG2 THR 13 HG21 THR 13 3.544 13.256 3.032 108 2HG2 THR 13 HG22 THR 13 3.239 11.522 3.152 109 3HG2 THR 13 HG23 THR 13 2.153 12.665 3.941 110 H LEU 14 HN LEU 14 2.415 8.858 1.707 111 HA LEU 14 HA LEU 14 -0.223 8.229 2.802 112 1HB LEU 14 HB2 LEU 14 0.469 6.624 1.202 113 2HB LEU 14 HB1 LEU 14 2.088 6.566 1.852 114 HG LEU 14 HG LEU 14 0.513 4.569 2.267 115 1HD1 LEU 14 HD11 LEU 14 2.727 5.434 3.520 116 2HD1 LEU 14 HD12 LEU 14 1.875 3.947 3.941 117 3HD1 LEU 14 HD13 LEU 14 1.590 5.420 4.869 118 1HD2 LEU 14 HD21 LEU 14 -0.695 4.900 4.509 119 2HD2 LEU 14 HD22 LEU 14 -1.467 5.511 3.046 120 3HD2 LEU 14 HD23 LEU 14 -0.631 6.619 4.132 121 H ILE 15 HN ILE 15 -0.362 8.744 4.912 122 HA ILE 15 HA ILE 15 1.894 7.949 6.622 123 HB ILE 15 HB ILE 15 1.645 9.861 7.991 124 1HG1 ILE 15 HG12 ILE 15 -0.154 11.616 7.194 125 2HG1 ILE 15 HG11 ILE 15 -0.951 10.189 6.529 126 1HG2 ILE 15 HG21 ILE 15 2.405 10.031 5.358 127 2HG2 ILE 15 HG22 ILE 15 2.686 11.256 6.594 128 3HG2 ILE 15 HG23 ILE 15 1.284 11.381 5.531 129 1HD1 ILE 15 HD11 ILE 15 -0.203 9.540 9.163 130 2HD1 ILE 15 HD12 ILE 15 -1.826 9.811 8.525 131 3HD1 ILE 15 HD13 ILE 15 -0.915 11.154 9.217 132 H LYS 16 HN LYS 16 -1.453 7.623 6.054 133 HA LYS 16 HA LYS 16 -1.847 6.672 8.813 134 1HB LYS 16 HB2 LYS 16 -3.300 8.556 7.578 135 2HB LYS 16 HB1 LYS 16 -4.200 7.133 7.073 136 1HG LYS 16 HG2 LYS 16 -5.305 7.632 8.996 137 2HG LYS 16 HG1 LYS 16 -4.064 6.555 9.640 138 1HD LYS 16 HD2 LYS 16 -2.685 8.539 10.182 139 2HD LYS 16 HD1 LYS 16 -4.005 9.572 9.629 140 1HE LYS 16 HE2 LYS 16 -4.293 9.492 11.941 141 2HE LYS 16 HE1 LYS 16 -5.447 8.306 11.331 142 1HZ LYS 16 HZ1 LYS 16 -4.302 7.366 13.177 143 2HZ LYS 16 HZ2 LYS 16 -2.789 7.755 12.529 144 3HZ LYS 16 HZ3 LYS 16 -3.750 6.578 11.785 145 H ALA 17 HN ALA 17 -2.028 4.587 9.137 146 HA ALA 17 HA ALA 17 -2.834 2.856 6.886 147 1HB ALA 17 HB1 ALA 17 -0.728 2.088 7.347 148 2HB ALA 17 HB2 ALA 17 -1.668 1.082 8.449 149 3HB ALA 17 HB3 ALA 17 -0.827 2.509 9.057 150 H ILE 18 HN ILE 18 -4.969 2.526 7.148 151 HA ILE 18 HA ILE 18 -6.326 2.520 9.600 152 HB ILE 18 HB ILE 18 -7.205 1.246 7.011 153 1HG1 ILE 18 HG12 ILE 18 -8.021 3.954 8.023 154 2HG1 ILE 18 HG11 ILE 18 -6.548 3.753 7.079 155 1HG2 ILE 18 HG21 ILE 18 -8.498 0.490 8.951 156 2HG2 ILE 18 HG22 ILE 18 -9.465 1.498 7.874 157 3HG2 ILE 18 HG23 ILE 18 -8.830 2.169 9.376 158 1HD1 ILE 18 HD11 ILE 18 -8.940 2.518 5.917 159 2HD1 ILE 18 HD12 ILE 18 -7.669 3.481 5.160 160 3HD1 ILE 18 HD13 ILE 18 -8.978 4.277 6.034 161 H ASP 19 HN ASP 19 -6.413 -0.378 7.539 162 HA ASP 19 HA ASP 19 -5.893 -1.966 9.967 163 1HB ASP 19 HB2 ASP 19 -7.846 -2.366 7.726 164 2HB ASP 19 HB1 ASP 19 -7.276 -3.744 8.662 165 H GLY 20 HN GLY 20 -3.745 -1.161 8.363 166 1HA GLY 20 HA2 GLY 20 -1.802 -2.238 7.676 167 2HA GLY 20 HA1 GLY 20 -2.680 -3.758 7.668 168 H ASP 21 HN ASP 21 -4.715 -3.251 5.875 169 HA ASP 21 HA ASP 21 -3.203 -3.048 3.385 170 1HB ASP 21 HB2 ASP 21 -6.045 -3.997 3.813 171 2HB ASP 21 HB1 ASP 21 -5.096 -4.156 2.338 172 H THR 22 HN THR 22 -6.022 -1.711 5.030 173 HA THR 22 HA THR 22 -6.551 0.174 2.901 174 HB THR 22 HB THR 22 -8.152 1.097 4.757 175 HG1 THR 22 HG1 THR 22 -8.670 -0.486 6.295 176 1HG2 THR 22 HG21 THR 22 -9.256 0.064 3.020 177 2HG2 THR 22 HG22 THR 22 -9.705 -0.935 4.403 178 3HG2 THR 22 HG23 THR 22 -8.451 -1.482 3.289 179 H VAL 23 HN VAL 23 -5.094 1.760 2.655 180 HA VAL 23 HA VAL 23 -4.190 3.170 5.081 181 HB VAL 23 HB VAL 23 -2.111 3.715 3.902 182 1HG1 VAL 23 HG11 VAL 23 -1.643 1.918 5.198 183 2HG1 VAL 23 HG12 VAL 23 -1.410 1.148 3.629 184 3HG1 VAL 23 HG13 VAL 23 -2.931 0.939 4.495 185 1HG2 VAL 23 HG21 VAL 23 -3.247 3.440 1.604 186 2HG2 VAL 23 HG22 VAL 23 -2.841 1.733 1.778 187 3HG2 VAL 23 HG23 VAL 23 -1.562 2.945 1.773 188 H LYS 24 HN LYS 24 -3.761 5.424 4.874 189 HA LYS 24 HA LYS 24 -5.342 6.698 2.743 190 1HB LYS 24 HB2 LYS 24 -6.399 7.874 4.323 191 2HB LYS 24 HB1 LYS 24 -5.556 6.927 5.540 192 1HG LYS 24 HG2 LYS 24 -3.748 8.568 5.581 193 2HG LYS 24 HG1 LYS 24 -4.569 9.509 4.335 194 1HD LYS 24 HD2 LYS 24 -6.551 9.580 5.962 195 2HD LYS 24 HD1 LYS 24 -5.400 9.037 7.184 196 1HE LYS 24 HE2 LYS 24 -5.278 11.321 7.433 197 2HE LYS 24 HE1 LYS 24 -3.962 11.027 6.297 198 1HZ LYS 24 HZ1 LYS 24 -6.563 11.521 5.109 199 2HZ LYS 24 HZ2 LYS 24 -5.037 12.081 4.645 200 3HZ LYS 24 HZ3 LYS 24 -5.867 12.840 5.908 201 H LEU 25 HN LEU 25 -4.301 8.014 1.373 202 HA LEU 25 HA LEU 25 -1.784 9.226 2.260 203 1HB LEU 25 HB2 LEU 25 -0.727 8.765 0.103 204 2HB LEU 25 HB1 LEU 25 -1.156 7.298 0.934 205 HG LEU 25 HG LEU 25 -3.100 7.045 -0.547 206 1HD1 LEU 25 HD11 LEU 25 -3.795 8.870 -1.640 207 2HD1 LEU 25 HD12 LEU 25 -2.481 8.537 -2.767 208 3HD1 LEU 25 HD13 LEU 25 -2.245 9.678 -1.446 209 1HD2 LEU 25 HD21 LEU 25 -0.296 7.101 -1.546 210 2HD2 LEU 25 HD22 LEU 25 -1.606 6.681 -2.651 211 3HD2 LEU 25 HD23 LEU 25 -1.339 5.721 -1.195 212 H MET 26 HN MET 26 -1.369 11.273 1.446 213 HA MET 26 HA MET 26 -3.673 12.737 0.548 214 1HB MET 26 HB2 MET 26 -0.956 13.346 1.457 215 2HB MET 26 HB1 MET 26 -1.490 14.403 0.157 216 1HG MET 26 HG2 MET 26 -2.837 15.535 1.506 217 2HG MET 26 HG1 MET 26 -3.543 14.061 2.163 218 1HE MET 26 HE1 MET 26 -2.926 13.350 4.915 219 2HE MET 26 HE2 MET 26 -3.970 14.623 4.279 220 3HE MET 26 HE3 MET 26 -2.850 14.977 5.595 221 H TYR 27 HN TYR 27 -4.343 12.143 -1.436 222 HA TYR 27 HA TYR 27 -2.434 11.903 -3.621 223 1HB TYR 27 HB2 TYR 27 -4.108 10.161 -3.395 224 2HB TYR 27 HB1 TYR 27 -5.401 11.351 -3.457 225 HD1 TYR 27 HD1 TYR 27 -5.923 12.494 -5.576 226 HD2 TYR 27 HD2 TYR 27 -3.053 9.364 -5.383 227 HE1 TYR 27 HE1 TYR 27 -6.062 12.232 -8.010 228 HE2 TYR 27 HE2 TYR 27 -3.173 9.089 -7.822 229 HH TYR 27 HH TYR 27 -5.608 10.599 -9.720 230 H LYS 28 HN LYS 28 -1.841 13.790 -4.488 231 HA LYS 28 HA LYS 28 -1.927 15.890 -5.377 232 1HB LYS 28 HB2 LYS 28 -3.041 14.632 -7.159 233 2HB LYS 28 HB1 LYS 28 -4.592 14.851 -6.361 234 1HG LYS 28 HG2 LYS 28 -4.863 16.902 -7.197 235 2HG LYS 28 HG1 LYS 28 -3.192 17.357 -6.868 236 1HD LYS 28 HD2 LYS 28 -2.779 15.655 -8.891 237 2HD LYS 28 HD1 LYS 28 -4.405 16.198 -9.309 238 1HE LYS 28 HE2 LYS 28 -2.524 18.325 -8.539 239 2HE LYS 28 HE1 LYS 28 -2.128 17.477 -10.033 240 1HZ LYS 28 HZ1 LYS 28 -3.791 19.544 -9.915 241 2HZ LYS 28 HZ2 LYS 28 -4.902 18.283 -9.728 242 3HZ LYS 28 HZ3 LYS 28 -3.903 18.333 -11.092 243 H GLY 29 HN GLY 29 -2.378 16.181 -2.823 244 1HA GLY 29 HA2 GLY 29 -3.251 17.654 -1.289 245 2HA GLY 29 HA1 GLY 29 -4.016 18.488 -2.635 246 H GLN 30 HN GLN 30 -4.788 15.185 -2.486 247 HA GLN 30 HA GLN 30 -7.153 15.624 -0.835 248 1HB GLN 30 HB2 GLN 30 -8.382 15.962 -2.697 249 2HB GLN 30 HB1 GLN 30 -7.119 15.356 -3.751 250 1HG GLN 30 HG2 GLN 30 -8.523 13.274 -2.238 251 2HG GLN 30 HG1 GLN 30 -9.536 14.186 -3.351 252 1HE2 GLN 30 HE21 GLN 30 -7.828 11.474 -3.112 253 2HE2 GLN 30 HE22 GLN 30 -7.350 11.251 -4.756 254 HA PRO 31 HA PRO 31 -5.268 11.619 0.245 255 1HB PRO 31 HB2 PRO 31 -6.436 11.465 2.702 256 2HB PRO 31 HB1 PRO 31 -4.947 12.363 2.385 257 1HG PRO 31 HG2 PRO 31 -7.761 13.367 2.586 258 2HG PRO 31 HG1 PRO 31 -6.274 14.061 3.262 259 1HD PRO 31 HD2 PRO 31 -7.391 15.016 1.009 260 2HD PRO 31 HD1 PRO 31 -5.636 14.986 1.242 261 H MET 32 HN MET 32 -6.043 9.562 0.225 262 HA MET 32 HA MET 32 -8.921 9.077 0.395 263 1HB MET 32 HB2 MET 32 -7.224 8.682 -2.049 264 2HB MET 32 HB1 MET 32 -8.571 7.597 -1.744 265 1HG MET 32 HG2 MET 32 -8.939 10.566 -1.741 266 2HG MET 32 HG1 MET 32 -8.950 9.641 -3.241 267 1HE MET 32 HE1 MET 32 -12.186 11.144 -1.630 268 2HE MET 32 HE2 MET 32 -12.371 10.454 -3.243 269 3HE MET 32 HE3 MET 32 -10.921 11.373 -2.838 270 H THR 33 HN THR 33 -9.413 6.746 0.497 271 HA THR 33 HA THR 33 -7.333 5.359 1.990 272 HB THR 33 HB THR 33 -9.216 3.700 2.409 273 HG1 THR 33 HG1 THR 33 -11.239 4.269 1.831 274 1HG2 THR 33 HG21 THR 33 -8.591 5.546 3.994 275 2HG2 THR 33 HG22 THR 33 -10.251 4.957 4.111 276 3HG2 THR 33 HG23 THR 33 -9.910 6.481 3.290 277 H PHE 34 HN PHE 34 -6.131 3.787 1.149 278 HA PHE 34 HA PHE 34 -6.984 2.633 -1.417 279 1HB PHE 34 HB2 PHE 34 -4.178 2.891 -0.317 280 2HB PHE 34 HB1 PHE 34 -4.618 2.234 -1.890 281 HD1 PHE 34 HD1 PHE 34 -5.207 5.316 0.125 282 HD2 PHE 34 HD2 PHE 34 -4.405 3.617 -3.697 283 HE1 PHE 34 HE1 PHE 34 -5.101 7.564 -0.847 284 HE2 PHE 34 HE2 PHE 34 -4.286 5.878 -4.673 285 HZ PHE 34 HZ PHE 34 -4.626 7.852 -3.226 286 H ARG 35 HN ARG 35 -7.501 0.573 -1.446 287 HA ARG 35 HA ARG 35 -6.718 -1.134 0.816 288 1HB ARG 35 HB2 ARG 35 -9.065 -0.973 0.738 289 2HB ARG 35 HB1 ARG 35 -9.098 -1.090 -1.017 290 1HG ARG 35 HG2 ARG 35 -7.938 -3.461 0.144 291 2HG ARG 35 HG1 ARG 35 -9.526 -3.132 0.837 292 1HD ARG 35 HD2 ARG 35 -10.567 -3.173 -1.285 293 2HD ARG 35 HD1 ARG 35 -9.019 -3.110 -2.126 294 HE ARG 35 HE ARG 35 -8.853 -5.378 -1.912 295 1HH1 ARG 35 HH11 ARG 35 -11.264 -4.219 0.331 296 2HH1 ARG 35 HH12 ARG 35 -11.783 -5.808 0.786 297 1HH2 ARG 35 HH21 ARG 35 -9.535 -7.467 -1.313 298 2HH2 ARG 35 HH22 ARG 35 -10.801 -7.651 -0.146 299 H LEU 36 HN LEU 36 -4.818 -2.071 0.161 300 HA LEU 36 HA LEU 36 -4.796 -4.315 -1.401 301 1HB LEU 36 HB2 LEU 36 -4.979 -2.089 -3.089 302 2HB LEU 36 HB1 LEU 36 -3.312 -2.607 -3.198 303 HG LEU 36 HG LEU 36 -4.692 -4.980 -3.434 304 1HD1 LEU 36 HD11 LEU 36 -6.315 -4.419 -5.311 305 2HD1 LEU 36 HD12 LEU 36 -6.268 -2.763 -4.705 306 3HD1 LEU 36 HD13 LEU 36 -6.840 -4.067 -3.664 307 1HD2 LEU 36 HD21 LEU 36 -4.287 -4.249 -6.026 308 2HD2 LEU 36 HD22 LEU 36 -3.046 -4.896 -4.954 309 3HD2 LEU 36 HD23 LEU 36 -3.201 -3.153 -5.172 310 H LEU 37 HN LEU 37 -2.749 -5.277 -1.626 311 HA LEU 37 HA LEU 37 -0.291 -4.039 -1.178 312 1HB LEU 37 HB2 LEU 37 -1.822 -4.632 1.235 313 2HB LEU 37 HB1 LEU 37 -0.240 -5.387 1.238 314 HG LEU 37 HG LEU 37 0.080 -2.683 0.390 315 1HD1 LEU 37 HD11 LEU 37 -1.027 -2.623 3.130 316 2HD1 LEU 37 HD12 LEU 37 -2.183 -2.697 1.802 317 3HD1 LEU 37 HD13 LEU 37 -1.014 -1.379 1.880 318 1HD2 LEU 37 HD21 LEU 37 1.826 -2.778 1.802 319 2HD2 LEU 37 HD22 LEU 37 1.448 -4.500 1.853 320 3HD2 LEU 37 HD23 LEU 37 0.858 -3.429 3.124 321 H LEU 38 HN LEU 38 -1.357 -6.013 -2.847 322 HA LEU 38 HA LEU 38 -0.816 -7.995 -3.792 323 1HB LEU 38 HB2 LEU 38 1.473 -7.259 -3.545 324 2HB LEU 38 HB1 LEU 38 1.513 -7.811 -1.882 325 HG LEU 38 HG LEU 38 0.924 -10.138 -3.074 326 1HD1 LEU 38 HD11 LEU 38 1.582 -10.362 -5.220 327 2HD1 LEU 38 HD12 LEU 38 2.864 -9.163 -5.069 328 3HD1 LEU 38 HD13 LEU 38 1.193 -8.643 -5.285 329 1HD2 LEU 38 HD21 LEU 38 2.819 -9.591 -1.552 330 2HD2 LEU 38 HD22 LEU 38 3.723 -9.029 -2.959 331 3HD2 LEU 38 HD23 LEU 38 3.234 -10.720 -2.843 332 H VAL 39 HN VAL 39 0.739 -9.360 -1.011 333 HA VAL 39 HA VAL 39 -1.741 -10.620 -0.116 334 HB VAL 39 HB VAL 39 -0.826 -12.138 -1.815 335 1HG1 VAL 39 HG11 VAL 39 1.627 -12.078 -0.072 336 2HG1 VAL 39 HG12 VAL 39 1.496 -11.641 -1.775 337 3HG1 VAL 39 HG13 VAL 39 1.325 -13.326 -1.282 338 1HG2 VAL 39 HG21 VAL 39 -0.477 -13.243 0.970 339 2HG2 VAL 39 HG22 VAL 39 -0.845 -14.159 -0.492 340 3HG2 VAL 39 HG23 VAL 39 -2.027 -13.021 0.158 341 H ASP 40 HN ASP 40 -1.780 -11.123 2.026 342 HA ASP 40 HA ASP 40 0.719 -10.933 3.549 343 1HB ASP 40 HB2 ASP 40 -1.821 -9.396 4.111 344 2HB ASP 40 HB1 ASP 40 -0.534 -9.604 5.295 345 H THR 41 HN THR 41 0.043 -13.342 3.182 346 HA THR 41 HA THR 41 -2.047 -14.348 4.873 347 HB THR 41 HB THR 41 -1.197 -16.557 4.226 348 HG1 THR 41 HG1 THR 41 0.946 -16.422 4.086 349 1HG2 THR 41 HG21 THR 41 -1.537 -14.516 2.078 350 2HG2 THR 41 HG22 THR 41 -2.612 -15.828 2.564 351 3HG2 THR 41 HG23 THR 41 -1.132 -16.185 1.673 352 HA PRO 42 HA PRO 42 0.649 -14.091 8.482 353 1HB PRO 42 HB2 PRO 42 -1.707 -15.017 9.953 354 2HB PRO 42 HB1 PRO 42 -0.827 -13.495 10.099 355 1HG PRO 42 HG2 PRO 42 -3.305 -13.628 9.043 356 2HG PRO 42 HG1 PRO 42 -2.100 -12.449 8.493 357 1HD PRO 42 HD2 PRO 42 -2.931 -15.039 7.234 358 2HD PRO 42 HD1 PRO 42 -2.600 -13.470 6.472 359 H GLU 43 HN GLU 43 2.059 -15.713 8.626 360 HA GLU 43 HA GLU 43 2.956 -17.698 9.272 361 1HB GLU 43 HB2 GLU 43 0.821 -17.470 10.914 362 2HB GLU 43 HB1 GLU 43 0.406 -18.955 10.071 363 1HG GLU 43 HG2 GLU 43 3.168 -18.742 11.094 364 2HG GLU 43 HG1 GLU 43 1.882 -18.891 12.292 365 H THR 44 HN THR 44 -0.251 -18.222 7.767 366 HA THR 44 HA THR 44 0.730 -20.608 6.457 367 HB THR 44 HB THR 44 -1.892 -19.446 5.699 368 HG1 THR 44 HG1 THR 44 -2.087 -19.018 7.817 369 1HG2 THR 44 HG21 THR 44 -0.724 -22.122 6.108 370 2HG2 THR 44 HG22 THR 44 -1.852 -21.544 4.881 371 3HG2 THR 44 HG23 THR 44 -2.431 -21.926 6.502 372 H LYS 45 HN LYS 45 0.756 -20.924 4.191 373 HA LYS 45 HA LYS 45 1.378 -18.470 2.711 374 1HB LYS 45 HB2 LYS 45 2.676 -20.943 2.885 375 2HB LYS 45 HB1 LYS 45 1.938 -20.937 1.289 376 1HG LYS 45 HG2 LYS 45 3.270 -19.271 0.523 377 2HG LYS 45 HG1 LYS 45 3.399 -18.497 2.103 378 1HD LYS 45 HD2 LYS 45 4.645 -20.974 2.410 379 2HD LYS 45 HD1 LYS 45 5.171 -20.392 0.829 380 1HE LYS 45 HE2 LYS 45 5.731 -18.206 1.953 381 2HE LYS 45 HE1 LYS 45 5.448 -19.015 3.493 382 1HZ LYS 45 HZ1 LYS 45 7.319 -20.266 3.287 383 2HZ LYS 45 HZ2 LYS 45 7.826 -18.905 2.422 384 3HZ LYS 45 HZ3 LYS 45 7.285 -20.278 1.595 385 H HIS 46 HN HIS 46 -1.213 -20.412 3.205 386 HA HIS 46 HA HIS 46 -2.177 -20.816 0.557 387 1HB HIS 46 HB2 HIS 46 -3.414 -20.909 3.296 388 2HB HIS 46 HB1 HIS 46 -4.420 -21.040 1.859 389 HD1 HIS 46 HD1 HIS 46 -4.938 -23.480 2.878 390 HD2 HIS 46 HD2 HIS 46 -1.093 -22.866 1.429 391 HE1 HIS 46 HE1 HIS 46 -3.960 -25.776 2.576 392 HE2 HIS 46 HE2 HIS 46 -1.661 -25.382 1.624 393 HA PRO 47 HA PRO 47 -4.042 -16.957 -0.460 394 1HB PRO 47 HB2 PRO 47 -6.730 -18.101 -0.798 395 2HB PRO 47 HB1 PRO 47 -5.650 -17.397 -2.004 396 1HG PRO 47 HG2 PRO 47 -6.142 -20.036 -1.916 397 2HG PRO 47 HG1 PRO 47 -4.557 -19.393 -2.385 398 1HD PRO 47 HD2 PRO 47 -5.434 -20.549 0.237 399 2HD PRO 47 HD1 PRO 47 -3.915 -20.797 -0.650 400 H LYS 48 HN LYS 48 -3.973 -17.261 2.334 401 HA LYS 48 HA LYS 48 -6.443 -15.862 3.093 402 1HB LYS 48 HB2 LYS 48 -5.333 -18.305 4.201 403 2HB LYS 48 HB1 LYS 48 -5.492 -17.058 5.430 404 1HG LYS 48 HG2 LYS 48 -7.616 -17.648 5.626 405 2HG LYS 48 HG1 LYS 48 -7.886 -16.958 4.025 406 1HD LYS 48 HD2 LYS 48 -6.765 -19.673 4.022 407 2HD LYS 48 HD1 LYS 48 -8.386 -19.546 4.707 408 1HE LYS 48 HE2 LYS 48 -8.866 -18.123 2.573 409 2HE LYS 48 HE1 LYS 48 -7.442 -18.944 1.936 410 1HZ LYS 48 HZ1 LYS 48 -8.771 -21.016 2.897 411 2HZ LYS 48 HZ2 LYS 48 -8.994 -20.441 1.322 412 3HZ LYS 48 HZ3 LYS 48 -10.083 -20.008 2.543 413 H LYS 49 HN LYS 49 -5.588 -13.833 3.021 414 HA LYS 49 HA LYS 49 -3.075 -13.191 4.255 415 1HB LYS 49 HB2 LYS 49 -3.488 -10.928 3.488 416 2HB LYS 49 HB1 LYS 49 -3.801 -12.068 2.187 417 1HG LYS 49 HG2 LYS 49 -5.970 -11.524 2.060 418 2HG LYS 49 HG1 LYS 49 -6.147 -11.402 3.811 419 1HD LYS 49 HD2 LYS 49 -5.890 -9.183 3.771 420 2HD LYS 49 HD1 LYS 49 -4.466 -9.294 2.735 421 1HE LYS 49 HE2 LYS 49 -5.735 -9.228 0.781 422 2HE LYS 49 HE1 LYS 49 -7.218 -9.687 1.617 423 1HZ LYS 49 HZ1 LYS 49 -7.120 -7.316 0.961 424 2HZ LYS 49 HZ2 LYS 49 -5.820 -7.101 2.021 425 3HZ LYS 49 HZ3 LYS 49 -7.336 -7.543 2.625 426 H GLY 50 HN GLY 50 -3.378 -10.832 5.463 427 1HA GLY 50 HA2 GLY 50 -5.331 -10.113 7.117 428 2HA GLY 50 HA1 GLY 50 -4.770 -11.579 7.909 429 H VAL 51 HN VAL 51 -3.459 -11.170 9.541 430 HA VAL 51 HA VAL 51 -1.576 -8.915 9.295 431 HB VAL 51 HB VAL 51 -3.295 -8.392 10.942 432 1HG1 VAL 51 HG11 VAL 51 -3.558 -10.952 11.474 433 2HG1 VAL 51 HG12 VAL 51 -3.933 -9.730 12.688 434 3HG1 VAL 51 HG13 VAL 51 -2.391 -10.582 12.743 435 1HG2 VAL 51 HG21 VAL 51 -0.569 -8.225 11.317 436 2HG2 VAL 51 HG22 VAL 51 -1.149 -8.900 12.840 437 3HG2 VAL 51 HG23 VAL 51 -1.800 -7.371 12.248 438 H GLU 52 HN GLU 52 0.063 -10.298 8.494 439 HA GLU 52 HA GLU 52 0.901 -12.685 9.670 440 1HB GLU 52 HB2 GLU 52 1.657 -11.292 7.479 441 2HB GLU 52 HB1 GLU 52 3.014 -10.952 8.543 442 1HG GLU 52 HG2 GLU 52 2.746 -13.634 8.860 443 2HG GLU 52 HG1 GLU 52 2.261 -13.426 7.179 444 H LYS 53 HN LYS 53 3.160 -12.936 10.696 445 HA LYS 53 HA LYS 53 3.106 -11.468 13.165 446 1HB LYS 53 HB2 LYS 53 5.038 -13.562 12.155 447 2HB LYS 53 HB1 LYS 53 5.006 -12.925 13.793 448 1HG LYS 53 HG2 LYS 53 2.464 -13.718 13.603 449 2HG LYS 53 HG1 LYS 53 3.200 -14.849 12.466 450 1HD LYS 53 HD2 LYS 53 4.244 -15.995 14.097 451 2HD LYS 53 HD1 LYS 53 4.666 -14.530 14.986 452 1HE LYS 53 HE2 LYS 53 2.767 -14.575 16.235 453 2HE LYS 53 HE1 LYS 53 1.809 -15.307 14.949 454 1HZ LYS 53 HZ1 LYS 53 2.414 -16.682 17.034 455 2HZ LYS 53 HZ2 LYS 53 3.913 -16.878 16.276 456 3HZ LYS 53 HZ3 LYS 53 2.503 -17.412 15.510 457 H TYR 54 HN TYR 54 3.618 -9.348 12.657 458 HA TYR 54 HA TYR 54 6.465 -8.880 12.104 459 1HB TYR 54 HB2 TYR 54 5.876 -6.931 10.700 460 2HB TYR 54 HB1 TYR 54 5.291 -8.442 10.015 461 HD1 TYR 54 HD1 TYR 54 4.237 -5.480 11.963 462 HD2 TYR 54 HD2 TYR 54 3.016 -8.745 9.543 463 HE1 TYR 54 HE1 TYR 54 1.961 -4.554 11.889 464 HE2 TYR 54 HE2 TYR 54 0.730 -7.839 9.456 465 HH TYR 54 HH TYR 54 -0.707 -6.353 10.641 466 H GLY 55 HN GLY 55 3.434 -7.762 13.485 467 1HA GLY 55 HA2 GLY 55 3.253 -6.731 15.592 468 2HA GLY 55 HA1 GLY 55 4.945 -6.273 15.489 469 HA PRO 56 HA PRO 56 3.187 -2.309 14.401 470 1HB PRO 56 HB2 PRO 56 5.400 -0.859 14.693 471 2HB PRO 56 HB1 PRO 56 4.600 -1.588 16.084 472 1HG PRO 56 HG2 PRO 56 7.077 -2.418 14.665 473 2HG PRO 56 HG1 PRO 56 6.680 -2.522 16.387 474 1HD PRO 56 HD2 PRO 56 6.509 -4.603 14.507 475 2HD PRO 56 HD1 PRO 56 5.815 -4.602 16.139 476 H GLU 57 HN GLU 57 5.338 -4.088 12.516 477 HA GLU 57 HA GLU 57 6.334 -2.257 10.694 478 1HB GLU 57 HB2 GLU 57 6.353 -5.019 10.996 479 2HB GLU 57 HB1 GLU 57 5.631 -4.757 9.414 480 1HG GLU 57 HG2 GLU 57 7.676 -4.542 8.609 481 2HG GLU 57 HG1 GLU 57 7.795 -3.021 9.489 482 H ALA 58 HN ALA 58 3.045 -3.120 11.082 483 HA ALA 58 HA ALA 58 2.391 -2.543 8.315 484 1HB ALA 58 HB1 ALA 58 1.081 -4.287 9.064 485 2HB ALA 58 HB2 ALA 58 -0.002 -2.904 9.224 486 3HB ALA 58 HB3 ALA 58 0.819 -3.549 10.644 487 H SER 59 HN SER 59 1.064 -1.352 11.404 488 HA SER 59 HA SER 59 0.251 1.101 10.091 489 1HB SER 59 HB2 SER 59 -0.214 -0.048 12.834 490 2HB SER 59 HB1 SER 59 -0.672 1.607 12.434 491 HG SER 59 HG SER 59 -2.438 0.637 11.788 492 H ALA 60 HN ALA 60 2.828 0.032 12.146 493 HA ALA 60 HA ALA 60 3.506 2.738 12.953 494 1HB ALA 60 HB1 ALA 60 4.580 1.789 14.645 495 2HB ALA 60 HB2 ALA 60 5.512 0.749 13.567 496 3HB ALA 60 HB3 ALA 60 3.905 0.254 14.098 497 H PHE 61 HN PHE 61 4.949 0.150 10.939 498 HA PHE 61 HA PHE 61 7.235 1.650 10.212 499 1HB PHE 61 HB2 PHE 61 6.078 -0.885 9.542 500 2HB PHE 61 HB1 PHE 61 6.573 -0.074 8.065 501 HD1 PHE 61 HD1 PHE 61 7.821 -0.969 11.457 502 HD2 PHE 61 HD2 PHE 61 8.764 -0.201 7.377 503 HE1 PHE 61 HE1 PHE 61 10.154 -1.646 11.868 504 HE2 PHE 61 HE2 PHE 61 11.094 -0.876 7.781 505 HZ PHE 61 HZ PHE 61 11.788 -1.599 10.026 506 H THR 62 HN THR 62 4.150 1.098 8.574 507 HA THR 62 HA THR 62 4.521 2.559 6.279 508 HB THR 62 HB THR 62 2.519 1.141 7.054 509 HG1 THR 62 HG1 THR 62 2.189 1.928 5.105 510 1HG2 THR 62 HG21 THR 62 0.902 3.455 7.621 511 2HG2 THR 62 HG22 THR 62 2.130 3.209 8.860 512 3HG2 THR 62 HG23 THR 62 1.009 1.912 8.463 513 H LYS 63 HN LYS 63 3.929 3.715 9.524 514 HA LYS 63 HA LYS 63 3.466 6.443 8.721 515 1HB LYS 63 HB2 LYS 63 3.465 4.902 11.247 516 2HB LYS 63 HB1 LYS 63 3.918 6.595 11.387 517 1HG LYS 63 HG2 LYS 63 1.760 6.941 9.929 518 2HG LYS 63 HG1 LYS 63 1.320 5.381 10.623 519 1HD LYS 63 HD2 LYS 63 1.437 6.225 12.831 520 2HD LYS 63 HD1 LYS 63 2.252 7.698 12.302 521 1HE LYS 63 HE2 LYS 63 -0.380 7.192 11.083 522 2HE LYS 63 HE1 LYS 63 -0.398 7.523 12.814 523 1HZ LYS 63 HZ1 LYS 63 0.737 9.584 12.440 524 2HZ LYS 63 HZ2 LYS 63 -0.622 9.533 11.435 525 3HZ LYS 63 HZ3 LYS 63 0.916 9.253 10.790 526 H LYS 64 HN LYS 64 6.085 4.573 10.197 527 HA LYS 64 HA LYS 64 7.819 6.806 10.553 528 1HB LYS 64 HB2 LYS 64 8.213 3.826 10.633 529 2HB LYS 64 HB1 LYS 64 9.573 4.930 10.781 530 1HG LYS 64 HG2 LYS 64 8.341 6.002 12.701 531 2HG LYS 64 HG1 LYS 64 7.218 4.645 12.622 532 1HD LYS 64 HD2 LYS 64 8.636 3.311 13.707 533 2HD LYS 64 HD1 LYS 64 9.958 3.729 12.615 534 1HE LYS 64 HE2 LYS 64 9.218 5.810 14.562 535 2HE LYS 64 HE1 LYS 64 9.902 4.339 15.254 536 1HZ LYS 64 HZ1 LYS 64 11.157 6.362 13.582 537 2HZ LYS 64 HZ2 LYS 64 11.609 4.761 13.274 538 3HZ LYS 64 HZ3 LYS 64 11.819 5.416 14.819 539 H MET 65 HN MET 65 7.233 4.545 7.963 540 HA MET 65 HA MET 65 9.611 5.043 6.503 541 1HB MET 65 HB2 MET 65 7.497 3.283 6.289 542 2HB MET 65 HB1 MET 65 7.279 4.324 4.889 543 1HG MET 65 HG2 MET 65 8.615 2.677 4.029 544 2HG MET 65 HG1 MET 65 9.813 3.880 4.505 545 1HE MET 65 HE1 MET 65 11.926 2.349 7.069 546 2HE MET 65 HE2 MET 65 10.662 3.469 7.575 547 3HE MET 65 HE3 MET 65 11.490 3.710 6.038 548 H VAL 66 HN VAL 66 6.377 6.474 6.428 549 HA VAL 66 HA VAL 66 7.066 8.228 4.236 550 HB VAL 66 HB VAL 66 4.776 7.395 4.434 551 1HG1 VAL 66 HG11 VAL 66 3.704 9.020 6.477 552 2HG1 VAL 66 HG12 VAL 66 5.089 8.172 7.161 553 3HG1 VAL 66 HG13 VAL 66 3.781 7.261 6.411 554 1HG2 VAL 66 HG21 VAL 66 3.863 9.280 3.590 555 2HG2 VAL 66 HG22 VAL 66 5.519 9.876 3.706 556 3HG2 VAL 66 HG23 VAL 66 4.352 10.264 4.970 557 H GLU 67 HN GLU 67 6.951 8.366 7.720 558 HA GLU 67 HA GLU 67 7.109 11.230 7.866 559 1HB GLU 67 HB2 GLU 67 7.251 8.988 9.841 560 2HB GLU 67 HB1 GLU 67 7.798 10.590 10.318 561 1HG GLU 67 HG2 GLU 67 5.255 10.779 9.013 562 2HG GLU 67 HG1 GLU 67 5.182 9.590 10.314 563 H ASN 68 HN ASN 68 9.347 8.845 7.092 564 HA ASN 68 HA ASN 68 11.594 10.501 8.032 565 1HB ASN 68 HB2 ASN 68 11.523 7.566 7.302 566 2HB ASN 68 HB1 ASN 68 12.979 8.454 7.743 567 1HD2 ASN 68 HD21 ASN 68 12.246 6.238 9.139 568 2HD2 ASN 68 HD22 ASN 68 11.722 6.685 10.723 569 H ALA 69 HN ALA 69 10.065 9.079 5.243 570 HA ALA 69 HA ALA 69 12.220 10.112 3.527 571 1HB ALA 69 HB1 ALA 69 10.043 8.231 2.654 572 2HB ALA 69 HB2 ALA 69 11.541 7.666 3.395 573 3HB ALA 69 HB3 ALA 69 11.591 8.558 1.875 574 H LYS 70 HN LYS 70 11.796 11.558 1.907 575 HA LYS 70 HA LYS 70 9.162 12.845 2.014 576 1HB LYS 70 HB2 LYS 70 11.828 13.848 1.914 577 2HB LYS 70 HB1 LYS 70 11.010 14.343 0.438 578 1HG LYS 70 HG2 LYS 70 9.406 15.569 1.591 579 2HG LYS 70 HG1 LYS 70 9.722 14.733 3.111 580 1HD LYS 70 HD2 LYS 70 11.845 16.396 1.802 581 2HD LYS 70 HD1 LYS 70 10.602 17.145 2.806 582 1HE LYS 70 HE2 LYS 70 11.278 15.325 4.535 583 2HE LYS 70 HE1 LYS 70 12.754 15.216 3.577 584 1HZ LYS 70 HZ1 LYS 70 13.458 17.226 4.268 585 2HZ LYS 70 HZ2 LYS 70 12.454 16.908 5.591 586 3HZ LYS 70 HZ3 LYS 70 11.904 17.893 4.331 587 H LYS 71 HN LYS 71 9.848 10.369 0.502 588 HA LYS 71 HA LYS 71 8.827 11.266 -2.090 589 1HB LYS 71 HB2 LYS 71 10.337 9.519 -3.168 590 2HB LYS 71 HB1 LYS 71 11.104 11.009 -2.632 591 1HG LYS 71 HG2 LYS 71 11.297 9.347 -0.431 592 2HG LYS 71 HG1 LYS 71 11.573 8.271 -1.804 593 1HD LYS 71 HD2 LYS 71 13.691 9.000 -1.712 594 2HD LYS 71 HD1 LYS 71 13.068 10.464 -2.476 595 1HE LYS 71 HE2 LYS 71 12.900 10.255 0.483 596 2HE LYS 71 HE1 LYS 71 14.486 10.539 -0.234 597 1HZ LYS 71 HZ1 LYS 71 13.281 12.594 0.352 598 2HZ LYS 71 HZ2 LYS 71 12.084 12.199 -0.775 599 3HZ LYS 71 HZ3 LYS 71 13.665 12.506 -1.293 600 H ILE 72 HN ILE 72 6.827 10.426 -1.816 601 HA ILE 72 HA ILE 72 6.665 7.513 -1.406 602 HB ILE 72 HB ILE 72 4.573 9.521 -0.571 603 1HG1 ILE 72 HG12 ILE 72 5.498 8.357 1.733 604 2HG1 ILE 72 HG11 ILE 72 6.978 8.518 0.792 605 1HG2 ILE 72 HG21 ILE 72 3.304 7.781 0.183 606 2HG2 ILE 72 HG22 ILE 72 4.698 6.739 0.464 607 3HG2 ILE 72 HG23 ILE 72 4.101 6.990 -1.176 608 1HD1 ILE 72 HD11 ILE 72 6.944 10.504 1.921 609 2HD1 ILE 72 HD12 ILE 72 5.184 10.623 1.882 610 3HD1 ILE 72 HD13 ILE 72 6.124 10.958 0.427 611 H GLU 73 HN GLU 73 6.608 7.008 -3.583 612 HA GLU 73 HA GLU 73 4.550 8.234 -5.236 613 1HB GLU 73 HB2 GLU 73 7.099 6.912 -5.735 614 2HB GLU 73 HB1 GLU 73 5.822 6.352 -6.806 615 1HG GLU 73 HG2 GLU 73 5.409 8.582 -7.574 616 2HG GLU 73 HG1 GLU 73 6.535 9.244 -6.390 617 H VAL 74 HN VAL 74 2.766 7.188 -5.958 618 HA VAL 74 HA VAL 74 2.385 4.422 -5.016 619 HB VAL 74 HB VAL 74 0.214 6.463 -5.496 620 1HG1 VAL 74 HG11 VAL 74 -0.240 3.936 -5.643 621 2HG1 VAL 74 HG12 VAL 74 -1.288 4.914 -4.617 622 3HG1 VAL 74 HG13 VAL 74 -0.009 3.939 -3.895 623 1HG2 VAL 74 HG21 VAL 74 0.689 5.627 -2.741 624 2HG2 VAL 74 HG22 VAL 74 0.411 7.236 -3.405 625 3HG2 VAL 74 HG23 VAL 74 2.029 6.536 -3.437 626 H GLU 75 HN GLU 75 2.167 2.936 -6.538 627 HA GLU 75 HA GLU 75 1.820 3.731 -9.302 628 1HB GLU 75 HB2 GLU 75 3.361 1.840 -8.239 629 2HB GLU 75 HB1 GLU 75 1.921 0.867 -8.496 630 1HG GLU 75 HG2 GLU 75 2.060 1.006 -10.776 631 2HG GLU 75 HG1 GLU 75 2.944 2.532 -10.736 632 H PHE 76 HN PHE 76 -0.447 4.459 -8.193 633 HA PHE 76 HA PHE 76 -2.365 2.277 -8.430 634 1HB PHE 76 HB2 PHE 76 -3.553 3.370 -6.875 635 2HB PHE 76 HB1 PHE 76 -2.169 4.433 -6.702 636 HD1 PHE 76 HD1 PHE 76 -5.389 4.674 -6.510 637 HD2 PHE 76 HD2 PHE 76 -2.359 6.079 -9.147 638 HE1 PHE 76 HE1 PHE 76 -6.806 6.586 -7.110 639 HE2 PHE 76 HE2 PHE 76 -3.779 7.990 -9.762 640 HZ PHE 76 HZ PHE 76 -6.006 8.248 -8.744 641 H ASP 77 HN ASP 77 -4.442 2.742 -9.595 642 HA ASP 77 HA ASP 77 -3.810 3.949 -12.189 643 1HB ASP 77 HB2 ASP 77 -4.879 1.508 -11.627 644 2HB ASP 77 HB1 ASP 77 -6.344 2.450 -11.901 645 H LYS 78 HN LYS 78 -5.568 5.105 -13.320 646 HA LYS 78 HA LYS 78 -6.862 6.953 -11.473 647 1HB LYS 78 HB2 LYS 78 -5.675 7.176 -14.058 648 2HB LYS 78 HB1 LYS 78 -7.360 7.660 -14.186 649 1HG LYS 78 HG2 LYS 78 -7.053 9.291 -12.417 650 2HG LYS 78 HG1 LYS 78 -5.377 8.778 -12.216 651 1HD LYS 78 HD2 LYS 78 -6.079 9.497 -14.965 652 2HD LYS 78 HD1 LYS 78 -6.226 10.829 -13.818 653 1HE LYS 78 HE2 LYS 78 -3.924 10.368 -13.046 654 2HE LYS 78 HE1 LYS 78 -3.789 9.114 -14.277 655 1HZ LYS 78 HZ1 LYS 78 -3.030 11.635 -14.650 656 2HZ LYS 78 HZ2 LYS 78 -4.617 11.728 -15.228 657 3HZ LYS 78 HZ3 LYS 78 -3.534 10.621 -15.908 658 H GLY 79 HN GLY 79 -7.903 4.242 -11.811 659 1HA GLY 79 HA2 GLY 79 -10.659 4.899 -12.095 660 2HA GLY 79 HA1 GLY 79 -10.076 3.978 -13.476 661 H GLN 80 HN GLN 80 -8.812 3.588 -10.246 662 HA GLN 80 HA GLN 80 -9.419 0.789 -10.309 663 1HB GLN 80 HB2 GLN 80 -8.150 2.506 -8.180 664 2HB GLN 80 HB1 GLN 80 -8.326 0.763 -8.066 665 1HG GLN 80 HG2 GLN 80 -7.010 1.859 -10.469 666 2HG GLN 80 HG1 GLN 80 -6.119 1.910 -8.953 667 1HE2 GLN 80 HE21 GLN 80 -6.356 0.202 -11.634 668 2HE2 GLN 80 HE22 GLN 80 -6.041 -1.393 -11.048 669 H ARG 81 HN ARG 81 -11.077 -0.163 -9.555 670 HA ARG 81 HA ARG 81 -13.419 0.939 -8.708 671 1HB ARG 81 HB2 ARG 81 -12.230 -1.750 -8.047 672 2HB ARG 81 HB1 ARG 81 -13.863 -1.304 -7.570 673 1HG ARG 81 HG2 ARG 81 -14.640 -1.825 -9.575 674 2HG ARG 81 HG1 ARG 81 -13.494 -0.729 -10.348 675 1HD ARG 81 HD2 ARG 81 -11.851 -2.417 -10.526 676 2HD ARG 81 HD1 ARG 81 -12.718 -3.482 -9.420 677 HE ARG 81 HE ARG 81 -13.095 -3.277 -12.224 678 1HH1 ARG 81 HH11 ARG 81 -14.827 -3.796 -9.240 679 2HH1 ARG 81 HH12 ARG 81 -16.098 -4.702 -9.989 680 1HH2 ARG 81 HH21 ARG 81 -14.765 -4.468 -13.212 681 2HH2 ARG 81 HH22 ARG 81 -16.063 -5.083 -12.246 682 H THR 82 HN THR 82 -14.009 2.100 -7.013 683 HA THR 82 HA THR 82 -12.401 1.962 -4.561 684 HB THR 82 HB THR 82 -13.330 4.138 -4.013 685 HG1 THR 82 HG1 THR 82 -15.374 4.081 -4.787 686 1HG2 THR 82 HG21 THR 82 -12.316 5.476 -5.607 687 2HG2 THR 82 HG22 THR 82 -12.708 4.372 -6.925 688 3HG2 THR 82 HG23 THR 82 -11.460 3.942 -5.756 689 H ASP 83 HN ASP 83 -13.748 2.459 -2.501 690 HA ASP 83 HA ASP 83 -16.343 1.093 -2.603 691 1HB ASP 83 HB2 ASP 83 -14.132 0.484 -0.633 692 2HB ASP 83 HB1 ASP 83 -15.777 -0.129 -0.514 693 H LYS 84 HN LYS 84 -14.499 2.155 0.240 694 HA LYS 84 HA LYS 84 -16.761 3.825 1.003 695 1HB LYS 84 HB2 LYS 84 -14.655 2.388 2.408 696 2HB LYS 84 HB1 LYS 84 -14.855 4.026 3.015 697 1HG LYS 84 HG2 LYS 84 -16.301 2.821 4.342 698 2HG LYS 84 HG1 LYS 84 -17.372 3.437 3.082 699 1HD LYS 84 HD2 LYS 84 -16.070 0.779 2.711 700 2HD LYS 84 HD1 LYS 84 -17.452 0.913 3.799 701 1HE LYS 84 HE2 LYS 84 -18.285 2.308 1.586 702 2HE LYS 84 HE1 LYS 84 -17.342 0.994 0.883 703 1HZ LYS 84 HZ1 LYS 84 -19.315 -0.060 1.073 704 2HZ LYS 84 HZ2 LYS 84 -19.853 0.898 2.359 705 3HZ LYS 84 HZ3 LYS 84 -18.764 -0.365 2.643 706 H TYR 85 HN TYR 85 -13.388 4.525 1.815 707 HA TYR 85 HA TYR 85 -13.798 7.257 0.864 708 1HB TYR 85 HB2 TYR 85 -11.962 5.965 2.820 709 2HB TYR 85 HB1 TYR 85 -11.363 7.395 1.977 710 HD1 TYR 85 HD1 TYR 85 -14.411 6.245 3.824 711 HD2 TYR 85 HD2 TYR 85 -11.758 9.452 2.943 712 HE1 TYR 85 HE1 TYR 85 -15.626 7.678 5.410 713 HE2 TYR 85 HE2 TYR 85 -12.964 10.894 4.527 714 HH TYR 85 HH TYR 85 -14.416 10.671 6.481 715 H GLY 86 HN GLY 86 -13.516 5.219 -1.083 716 1HA GLY 86 HA2 GLY 86 -12.441 5.663 -3.206 717 2HA GLY 86 HA1 GLY 86 -10.991 6.093 -2.312 718 H ARG 87 HN ARG 87 -11.170 3.832 -0.480 719 HA ARG 87 HA ARG 87 -9.856 1.894 -0.486 720 1HB ARG 87 HB2 ARG 87 -12.628 1.538 -1.180 721 2HB ARG 87 HB1 ARG 87 -11.667 0.250 -1.889 722 1HG ARG 87 HG2 ARG 87 -12.618 -0.174 0.417 723 2HG ARG 87 HG1 ARG 87 -10.894 -0.477 0.204 724 1HD ARG 87 HD2 ARG 87 -10.327 1.101 1.689 725 2HD ARG 87 HD1 ARG 87 -11.472 2.259 1.015 726 HE ARG 87 HE ARG 87 -12.811 1.793 2.784 727 1HH1 ARG 87 HH11 ARG 87 -10.896 -1.056 2.136 728 2HH1 ARG 87 HH12 ARG 87 -11.594 -1.967 3.431 729 1HH2 ARG 87 HH21 ARG 87 -13.722 0.595 4.486 730 2HH2 ARG 87 HH22 ARG 87 -13.197 -1.032 4.766 731 H TRP 88 HN TRP 88 -8.640 3.259 -2.289 732 HA TRP 88 HA TRP 88 -8.627 2.021 -4.898 733 1HB TRP 88 HB2 TRP 88 -6.886 4.156 -3.658 734 2HB TRP 88 HB1 TRP 88 -6.806 3.657 -5.340 735 HD1 TRP 88 HD1 TRP 88 -9.236 5.356 -2.869 736 HE1 TRP 88 HE1 TRP 88 -10.821 6.872 -4.220 737 HE3 TRP 88 HE3 TRP 88 -7.699 4.135 -7.580 738 HZ2 TRP 88 HZ2 TRP 88 -11.345 7.470 -6.933 739 HZ3 TRP 88 HZ3 TRP 88 -8.787 5.213 -9.498 740 HH2 TRP 88 HH2 TRP 88 -10.573 6.851 -9.184 741 H LEU 89 HN LEU 89 -6.743 1.062 -5.862 742 HA LEU 89 HA LEU 89 -5.322 -0.627 -4.003 743 1HB LEU 89 HB2 LEU 89 -4.800 -1.927 -5.776 744 2HB LEU 89 HB1 LEU 89 -6.106 -1.037 -6.530 745 HG LEU 89 HG LEU 89 -4.388 -1.106 -8.130 746 1HD1 LEU 89 HD11 LEU 89 -3.542 1.520 -7.185 747 2HD1 LEU 89 HD12 LEU 89 -5.291 1.294 -7.198 748 3HD1 LEU 89 HD13 LEU 89 -4.358 1.055 -8.676 749 1HD2 LEU 89 HD21 LEU 89 -2.206 0.131 -6.676 750 2HD2 LEU 89 HD22 LEU 89 -2.223 -1.322 -7.676 751 3HD2 LEU 89 HD23 LEU 89 -2.688 -1.416 -5.978 752 H ALA 90 HN ALA 90 -2.928 -0.731 -3.936 753 HA ALA 90 HA ALA 90 -1.215 1.146 -5.019 754 1HB ALA 90 HB1 ALA 90 -2.660 2.140 -2.617 755 2HB ALA 90 HB2 ALA 90 -2.127 3.008 -4.057 756 3HB ALA 90 HB3 ALA 90 -0.959 2.560 -2.815 757 H TYR 91 HN TYR 91 0.879 1.190 -4.077 758 HA TYR 91 HA TYR 91 1.364 -1.056 -2.238 759 1HB TYR 91 HB2 TYR 91 3.020 0.056 -4.504 760 2HB TYR 91 HB1 TYR 91 3.685 -1.037 -3.295 761 HD1 TYR 91 HD1 TYR 91 3.981 -3.142 -4.163 762 HD2 TYR 91 HD2 TYR 91 0.478 -0.978 -5.253 763 HE1 TYR 91 HE1 TYR 91 3.195 -5.076 -5.461 764 HE2 TYR 91 HE2 TYR 91 -0.313 -2.908 -6.551 765 HH TYR 91 HH TYR 91 1.144 -5.999 -6.332 766 H ILE 92 HN ILE 92 2.297 2.214 -3.152 767 HA ILE 92 HA ILE 92 3.255 3.931 -2.015 768 HB ILE 92 HB ILE 92 2.512 2.520 0.534 769 1HG1 ILE 92 HG12 ILE 92 0.371 4.089 0.093 770 2HG1 ILE 92 HG11 ILE 92 0.769 3.680 -1.573 771 1HG2 ILE 92 HG21 ILE 92 2.137 5.420 0.153 772 2HG2 ILE 92 HG22 ILE 92 3.805 4.847 0.179 773 3HG2 ILE 92 HG23 ILE 92 2.740 4.523 1.547 774 1HD1 ILE 92 HD11 ILE 92 0.762 1.380 0.218 775 2HD1 ILE 92 HD12 ILE 92 0.000 1.600 -1.358 776 3HD1 ILE 92 HD13 ILE 92 -0.796 2.199 0.097 777 H TYR 93 HN TYR 93 5.360 4.290 -1.868 778 HA TYR 93 HA TYR 93 6.966 2.644 -0.072 779 1HB TYR 93 HB2 TYR 93 8.785 2.558 -1.833 780 2HB TYR 93 HB1 TYR 93 7.406 1.500 -2.089 781 HD1 TYR 93 HD1 TYR 93 6.185 1.609 -4.086 782 HD2 TYR 93 HD2 TYR 93 8.888 4.747 -3.110 783 HE1 TYR 93 HE1 TYR 93 5.921 2.530 -6.346 784 HE2 TYR 93 HE2 TYR 93 8.629 5.679 -5.368 785 HH TYR 93 HH TYR 93 7.966 4.996 -7.576 786 H ALA 94 HN ALA 94 8.361 3.788 1.083 787 HA ALA 94 HA ALA 94 8.759 6.606 0.361 788 1HB ALA 94 HB1 ALA 94 8.332 5.205 2.871 789 2HB ALA 94 HB2 ALA 94 8.133 6.913 2.482 790 3HB ALA 94 HB3 ALA 94 9.720 6.290 2.931 791 H ASP 95 HN ASP 95 10.681 7.234 -0.370 792 HA ASP 95 HA ASP 95 12.939 7.372 -0.691 793 1HB ASP 95 HB2 ASP 95 12.959 6.641 1.815 794 2HB ASP 95 HB1 ASP 95 13.436 5.072 1.173 795 H GLY 96 HN GLY 96 11.097 5.563 -2.121 796 1HA GLY 96 HA2 GLY 96 11.329 4.189 -3.957 797 2HA GLY 96 HA1 GLY 96 13.066 4.220 -3.705 798 H LYS 97 HN LYS 97 11.043 3.253 -1.069 799 HA LYS 97 HA LYS 97 11.509 0.422 -1.671 800 1HB LYS 97 HB2 LYS 97 12.136 0.103 0.764 801 2HB LYS 97 HB1 LYS 97 13.337 0.898 -0.244 802 1HG LYS 97 HG2 LYS 97 12.796 3.034 0.664 803 2HG LYS 97 HG1 LYS 97 11.397 2.376 1.514 804 1HD LYS 97 HD2 LYS 97 13.944 1.053 2.133 805 2HD LYS 97 HD1 LYS 97 13.852 2.745 2.625 806 1HE LYS 97 HE2 LYS 97 13.102 1.321 4.431 807 2HE LYS 97 HE1 LYS 97 11.748 2.262 3.806 808 1HZ LYS 97 HZ1 LYS 97 12.207 -0.407 2.692 809 2HZ LYS 97 HZ2 LYS 97 10.754 0.427 2.931 810 3HZ LYS 97 HZ3 LYS 97 11.537 -0.298 4.243 811 H MET 98 HN MET 98 9.596 -0.539 -1.651 812 HA MET 98 HA MET 98 7.306 0.588 -0.376 813 1HB MET 98 HB2 MET 98 7.547 -2.239 -1.399 814 2HB MET 98 HB1 MET 98 6.091 -1.269 -1.246 815 1HG MET 98 HG2 MET 98 6.589 0.004 -3.115 816 2HG MET 98 HG1 MET 98 8.298 -0.415 -3.071 817 1HE MET 98 HE1 MET 98 9.319 -1.648 -4.344 818 2HE MET 98 HE2 MET 98 8.534 -1.870 -5.909 819 3HE MET 98 HE3 MET 98 8.920 -3.271 -4.907 820 H VAL 99 HN VAL 99 6.532 0.235 1.637 821 HA VAL 99 HA VAL 99 8.027 -1.023 3.619 822 HB VAL 99 HB VAL 99 5.652 -1.194 4.797 823 1HG1 VAL 99 HG11 VAL 99 7.416 0.255 5.544 824 2HG1 VAL 99 HG12 VAL 99 5.913 1.176 5.471 825 3HG1 VAL 99 HG13 VAL 99 7.127 1.367 4.205 826 1HG2 VAL 99 HG21 VAL 99 4.998 1.086 3.010 827 2HG2 VAL 99 HG22 VAL 99 3.930 0.000 3.900 828 3HG2 VAL 99 HG23 VAL 99 4.696 -0.545 2.407 829 H ASN 100 HN ASN 100 5.505 -2.302 1.532 830 HA ASN 100 HA ASN 100 5.310 -4.816 2.893 831 1HB ASN 100 HB2 ASN 100 4.102 -5.517 0.775 832 2HB ASN 100 HB1 ASN 100 3.402 -4.148 1.631 833 1HD2 ASN 100 HD21 ASN 100 3.464 -2.122 0.713 834 2HD2 ASN 100 HD22 ASN 100 3.900 -1.857 -0.937 835 H GLU 101 HN GLU 101 6.816 -3.736 -0.143 836 HA GLU 101 HA GLU 101 8.043 -6.225 -0.719 837 1HB GLU 101 HB2 GLU 101 7.618 -4.011 -2.170 838 2HB GLU 101 HB1 GLU 101 9.293 -3.725 -1.715 839 1HG GLU 101 HG2 GLU 101 8.872 -6.435 -2.644 840 2HG GLU 101 HG1 GLU 101 8.387 -5.237 -3.843 841 H ALA 102 HN ALA 102 8.678 -3.970 1.669 842 HA ALA 102 HA ALA 102 11.517 -4.091 1.730 843 1HB ALA 102 HB1 ALA 102 10.483 -2.204 2.713 844 2HB ALA 102 HB2 ALA 102 11.216 -3.124 4.027 845 3HB ALA 102 HB3 ALA 102 9.477 -3.212 3.752 846 H LEU 103 HN LEU 103 8.946 -5.964 3.337 847 HA LEU 103 HA LEU 103 10.948 -7.951 4.000 848 1HB LEU 103 HB2 LEU 103 10.372 -8.065 6.360 849 2HB LEU 103 HB1 LEU 103 11.069 -6.532 5.923 850 HG LEU 103 HG LEU 103 8.135 -7.048 6.429 851 1HD1 LEU 103 HD11 LEU 103 10.139 -6.828 8.267 852 2HD1 LEU 103 HD12 LEU 103 8.447 -6.424 8.549 853 3HD1 LEU 103 HD13 LEU 103 9.593 -5.158 8.114 854 1HD2 LEU 103 HD21 LEU 103 8.037 -5.274 4.974 855 2HD2 LEU 103 HD22 LEU 103 9.639 -4.681 5.413 856 3HD2 LEU 103 HD23 LEU 103 8.274 -4.417 6.499 857 H VAL 104 HN VAL 104 7.498 -7.109 4.414 858 HA VAL 104 HA VAL 104 6.401 -9.471 5.072 859 HB VAL 104 HB VAL 104 5.217 -7.285 4.435 860 1HG1 VAL 104 HG11 VAL 104 5.986 -8.055 1.879 861 2HG1 VAL 104 HG12 VAL 104 4.865 -6.765 2.304 862 3HG1 VAL 104 HG13 VAL 104 4.256 -8.380 1.944 863 1HG2 VAL 104 HG21 VAL 104 4.324 -9.760 5.029 864 2HG2 VAL 104 HG22 VAL 104 3.551 -9.508 3.464 865 3HG2 VAL 104 HG23 VAL 104 3.273 -8.366 4.779 866 H ARG 105 HN ARG 105 7.971 -8.861 2.046 867 HA ARG 105 HA ARG 105 6.880 -10.915 0.501 868 1HB ARG 105 HB2 ARG 105 9.769 -10.104 0.344 869 2HB ARG 105 HB1 ARG 105 8.706 -10.621 -0.957 870 1HG ARG 105 HG2 ARG 105 8.766 -7.984 0.474 871 2HG ARG 105 HG1 ARG 105 8.985 -8.311 -1.247 872 1HD ARG 105 HD2 ARG 105 6.437 -9.309 -0.477 873 2HD ARG 105 HD1 ARG 105 6.595 -7.676 0.159 874 HE ARG 105 HE ARG 105 7.410 -7.843 -2.568 875 1HH1 ARG 105 HH11 ARG 105 4.615 -7.636 -0.487 876 2HH1 ARG 105 HH12 ARG 105 3.615 -6.899 -1.693 877 1HH2 ARG 105 HH21 ARG 105 6.096 -6.871 -4.155 878 2HH2 ARG 105 HH22 ARG 105 4.456 -6.462 -3.774 879 H GLN 106 HN GLN 106 9.651 -10.960 2.745 880 HA GLN 106 HA GLN 106 9.905 -13.833 2.332 881 1HB GLN 106 HB2 GLN 106 12.024 -13.718 3.174 882 2HB GLN 106 HB1 GLN 106 11.862 -12.076 2.579 883 1HG GLN 106 HG2 GLN 106 11.349 -12.875 5.434 884 2HG GLN 106 HG1 GLN 106 12.906 -12.305 4.835 885 1HE2 GLN 106 HE21 GLN 106 10.215 -11.400 6.383 886 2HE2 GLN 106 HE22 GLN 106 10.168 -9.720 5.992 887 H GLY 107 HN GLY 107 8.453 -11.630 4.536 888 1HA GLY 107 HA2 GLY 107 6.724 -12.901 5.895 889 2HA GLY 107 HA1 GLY 107 8.091 -13.832 6.481 890 H LEU 108 HN LEU 108 8.131 -10.370 5.930 891 HA LEU 108 HA LEU 108 8.748 -8.670 7.321 892 1HB LEU 108 HB2 LEU 108 6.598 -9.934 9.012 893 2HB LEU 108 HB1 LEU 108 7.164 -8.278 9.138 894 HG LEU 108 HG LEU 108 6.221 -9.054 6.473 895 1HD1 LEU 108 HD11 LEU 108 3.860 -8.398 7.823 896 2HD1 LEU 108 HD12 LEU 108 4.614 -9.707 8.735 897 3HD1 LEU 108 HD13 LEU 108 4.267 -9.913 7.019 898 1HD2 LEU 108 HD21 LEU 108 6.192 -6.852 6.305 899 2HD2 LEU 108 HD22 LEU 108 6.604 -6.701 8.015 900 3HD2 LEU 108 HD23 LEU 108 4.913 -6.780 7.519 901 H ALA 109 HN ALA 109 10.785 -8.931 8.029 902 HA ALA 109 HA ALA 109 11.703 -10.820 9.871 903 1HB ALA 109 HB1 ALA 109 13.607 -9.163 10.204 904 2HB ALA 109 HB2 ALA 109 12.767 -8.133 9.044 905 3HB ALA 109 HB3 ALA 109 13.327 -9.734 8.559 906 H LYS 110 HN LYS 110 12.232 -10.652 12.085 907 HA LYS 110 HA LYS 110 11.668 -10.260 14.256 908 1HB LYS 110 HB2 LYS 110 12.023 -8.020 15.033 909 2HB LYS 110 HB1 LYS 110 13.162 -8.328 13.732 910 1HG LYS 110 HG2 LYS 110 12.095 -6.892 12.275 911 2HG LYS 110 HG1 LYS 110 10.559 -6.990 13.138 912 1HD LYS 110 HD2 LYS 110 11.544 -5.730 15.004 913 2HD LYS 110 HD1 LYS 110 13.061 -5.610 14.111 914 1HE LYS 110 HE2 LYS 110 12.241 -3.670 13.350 915 2HE LYS 110 HE1 LYS 110 11.254 -4.675 12.289 916 1HZ LYS 110 HZ1 LYS 110 9.969 -2.995 13.522 917 2HZ LYS 110 HZ2 LYS 110 10.407 -3.738 14.976 918 3HZ LYS 110 HZ3 LYS 110 9.459 -4.574 13.852 Start of MODEL 8 1 1H ALA 1 HT1 ALA 1 -13.564 -2.202 -30.130 2 2H ALA 1 HT2 ALA 1 -14.191 -0.608 -30.249 3 3H ALA 1 HT3 ALA 1 -13.949 -1.326 -28.709 4 HA ALA 1 HA ALA 1 -11.547 -1.525 -29.421 5 1HB ALA 1 HB1 ALA 1 -12.447 -0.623 -31.777 6 2HB ALA 1 HB2 ALA 1 -10.801 -0.354 -31.205 7 3HB ALA 1 HB3 ALA 1 -12.015 0.912 -31.022 8 H THR 2 HN THR 2 -11.680 -1.027 -27.199 9 HA THR 2 HA THR 2 -11.788 1.861 -26.617 10 HB THR 2 HB THR 2 -12.269 0.828 -24.196 11 HG1 THR 2 HG1 THR 2 -13.685 -0.961 -24.467 12 1HG2 THR 2 HG21 THR 2 -14.427 1.520 -24.377 13 2HG2 THR 2 HG22 THR 2 -14.636 0.819 -25.982 14 3HG2 THR 2 HG23 THR 2 -13.733 2.320 -25.787 15 H SER 3 HN SER 3 -9.580 2.186 -26.887 16 HA SER 3 HA SER 3 -7.629 0.557 -25.571 17 1HB SER 3 HB2 SER 3 -6.861 1.616 -27.534 18 2HB SER 3 HB1 SER 3 -7.506 3.182 -27.044 19 HG SER 3 HG SER 3 -5.426 1.840 -25.664 20 H THR 4 HN THR 4 -7.217 0.588 -23.471 21 HA THR 4 HA THR 4 -7.942 2.938 -21.893 22 HB THR 4 HB THR 4 -8.766 0.817 -21.063 23 HG1 THR 4 HG1 THR 4 -8.105 1.067 -19.009 24 1HG2 THR 4 HG21 THR 4 -6.387 -0.418 -20.124 25 2HG2 THR 4 HG22 THR 4 -6.273 -0.212 -21.872 26 3HG2 THR 4 HG23 THR 4 -7.643 -1.076 -21.172 27 H LYS 5 HN LYS 5 -6.490 4.314 -21.094 28 HA LYS 5 HA LYS 5 -3.800 4.270 -21.867 29 1HB LYS 5 HB2 LYS 5 -5.475 6.125 -20.748 30 2HB LYS 5 HB1 LYS 5 -4.379 5.786 -19.415 31 1HG LYS 5 HG2 LYS 5 -2.535 6.130 -21.240 32 2HG LYS 5 HG1 LYS 5 -3.818 7.018 -22.065 33 1HD LYS 5 HD2 LYS 5 -3.299 7.592 -19.188 34 2HD LYS 5 HD1 LYS 5 -2.177 8.226 -20.394 35 1HE LYS 5 HE2 LYS 5 -3.679 9.954 -20.256 36 2HE LYS 5 HE1 LYS 5 -4.377 9.016 -21.576 37 1HZ LYS 5 HZ1 LYS 5 -5.817 9.828 -19.549 38 2HZ LYS 5 HZ2 LYS 5 -5.247 8.395 -18.853 39 3HZ LYS 5 HZ3 LYS 5 -6.116 8.342 -20.302 40 H LYS 6 HN LYS 6 -2.199 3.024 -21.180 41 HA LYS 6 HA LYS 6 -2.437 1.446 -18.796 42 1HB LYS 6 HB2 LYS 6 -0.142 0.664 -19.408 43 2HB LYS 6 HB1 LYS 6 -1.335 0.460 -20.683 44 1HG LYS 6 HG2 LYS 6 -0.197 1.753 -22.087 45 2HG LYS 6 HG1 LYS 6 0.028 3.010 -20.869 46 1HD LYS 6 HD2 LYS 6 2.097 2.302 -20.353 47 2HD LYS 6 HD1 LYS 6 1.630 0.601 -20.412 48 1HE LYS 6 HE2 LYS 6 1.726 2.015 -23.001 49 2HE LYS 6 HE1 LYS 6 3.276 1.766 -22.198 50 1HZ LYS 6 HZ1 LYS 6 3.142 -0.477 -22.425 51 2HZ LYS 6 HZ2 LYS 6 2.250 -0.032 -23.792 52 3HZ LYS 6 HZ3 LYS 6 1.450 -0.512 -22.381 53 H LEU 7 HN LEU 7 -2.118 2.275 -16.846 54 HA LEU 7 HA LEU 7 -0.649 4.674 -16.391 55 1HB LEU 7 HB2 LEU 7 -1.514 2.658 -14.323 56 2HB LEU 7 HB1 LEU 7 -1.154 4.355 -14.068 57 HG LEU 7 HG LEU 7 -3.160 4.600 -15.843 58 1HD1 LEU 7 HD11 LEU 7 -3.219 1.874 -15.251 59 2HD1 LEU 7 HD12 LEU 7 -4.467 2.820 -16.062 60 3HD1 LEU 7 HD13 LEU 7 -4.536 2.582 -14.317 61 1HD2 LEU 7 HD21 LEU 7 -2.968 4.580 -12.903 62 2HD2 LEU 7 HD22 LEU 7 -4.599 4.502 -13.568 63 3HD2 LEU 7 HD23 LEU 7 -3.535 5.841 -13.998 64 H HIS 8 HN HIS 8 1.410 4.979 -15.796 65 HA HIS 8 HA HIS 8 3.160 2.652 -15.729 66 1HB HIS 8 HB2 HIS 8 3.450 5.493 -16.393 67 2HB HIS 8 HB1 HIS 8 4.788 4.855 -15.444 68 HD1 HIS 8 HD1 HIS 8 2.851 3.154 -18.238 69 HD2 HIS 8 HD2 HIS 8 6.700 4.422 -17.318 70 HE1 HIS 8 HE1 HIS 8 4.296 2.343 -20.130 71 HE2 HIS 8 HE2 HIS 8 6.604 3.203 -19.597 72 H LYS 9 HN LYS 9 2.463 5.523 -13.752 73 HA LYS 9 HA LYS 9 2.525 4.195 -11.304 74 1HB LYS 9 HB2 LYS 9 5.061 4.271 -12.225 75 2HB LYS 9 HB1 LYS 9 5.004 5.812 -11.380 76 1HG LYS 9 HG2 LYS 9 5.630 4.579 -9.617 77 2HG LYS 9 HG1 LYS 9 3.910 4.195 -9.518 78 1HD LYS 9 HD2 LYS 9 4.828 2.361 -11.340 79 2HD LYS 9 HD1 LYS 9 6.182 2.493 -10.215 80 1HE LYS 9 HE2 LYS 9 4.419 2.219 -8.372 81 2HE LYS 9 HE1 LYS 9 3.347 1.670 -9.660 82 1HZ LYS 9 HZ1 LYS 9 6.012 0.456 -9.389 83 2HZ LYS 9 HZ2 LYS 9 4.589 -0.213 -10.010 84 3HZ LYS 9 HZ3 LYS 9 4.779 -0.029 -8.339 85 H GLU 10 HN GLU 10 1.667 5.480 -9.769 86 HA GLU 10 HA GLU 10 1.538 8.362 -10.352 87 1HB GLU 10 HB2 GLU 10 -0.482 6.529 -9.072 88 2HB GLU 10 HB1 GLU 10 -0.583 8.280 -8.943 89 1HG GLU 10 HG2 GLU 10 -2.011 7.481 -10.717 90 2HG GLU 10 HG1 GLU 10 -0.699 8.454 -11.377 91 HA PRO 11 HA PRO 11 3.569 8.711 -6.401 92 1HB PRO 11 HB2 PRO 11 3.994 11.340 -6.426 93 2HB PRO 11 HB1 PRO 11 4.839 10.271 -7.553 94 1HG PRO 11 HG2 PRO 11 2.529 12.090 -8.036 95 2HG PRO 11 HG1 PRO 11 3.882 11.686 -9.104 96 1HD PRO 11 HD2 PRO 11 1.311 10.568 -9.193 97 2HD PRO 11 HD1 PRO 11 2.754 9.928 -9.999 98 H ALA 12 HN ALA 12 2.627 8.666 -4.479 99 HA ALA 12 HA ALA 12 0.806 10.787 -3.679 100 1HB ALA 12 HB1 ALA 12 -0.002 7.891 -3.817 101 2HB ALA 12 HB2 ALA 12 -0.802 9.285 -4.544 102 3HB ALA 12 HB3 ALA 12 -0.828 9.067 -2.794 103 H THR 13 HN THR 13 1.248 11.383 -1.647 104 HA THR 13 HA THR 13 3.111 9.775 -0.115 105 HB THR 13 HB THR 13 3.609 12.103 -0.162 106 HG1 THR 13 HG1 THR 13 2.373 11.612 2.339 107 1HG2 THR 13 HG21 THR 13 0.775 12.565 0.714 108 2HG2 THR 13 HG22 THR 13 1.567 13.138 -0.753 109 3HG2 THR 13 HG23 THR 13 2.042 13.787 0.816 110 H LEU 14 HN LEU 14 2.299 8.159 1.017 111 HA LEU 14 HA LEU 14 -0.375 8.173 2.052 112 1HB LEU 14 HB2 LEU 14 0.506 6.089 1.290 113 2HB LEU 14 HB1 LEU 14 1.927 6.251 2.302 114 HG LEU 14 HG LEU 14 -0.612 6.223 3.784 115 1HD1 LEU 14 HD11 LEU 14 0.201 3.956 2.015 116 2HD1 LEU 14 HD12 LEU 14 -1.407 4.608 2.335 117 3HD1 LEU 14 HD13 LEU 14 -0.586 3.641 3.561 118 1HD2 LEU 14 HD21 LEU 14 0.725 4.543 5.109 119 2HD2 LEU 14 HD22 LEU 14 1.407 6.167 5.014 120 3HD2 LEU 14 HD23 LEU 14 2.065 4.873 4.012 121 H ILE 15 HN ILE 15 -0.989 9.039 3.912 122 HA ILE 15 HA ILE 15 0.946 10.074 5.754 123 HB ILE 15 HB ILE 15 -0.999 10.737 7.137 124 1HG1 ILE 15 HG12 ILE 15 -3.236 10.472 5.707 125 2HG1 ILE 15 HG11 ILE 15 -2.415 9.014 5.163 126 1HG2 ILE 15 HG21 ILE 15 -1.539 12.526 5.807 127 2HG2 ILE 15 HG22 ILE 15 -1.654 11.546 4.345 128 3HG2 ILE 15 HG23 ILE 15 -0.073 11.950 5.013 129 1HD1 ILE 15 HD11 ILE 15 -3.841 9.470 7.577 130 2HD1 ILE 15 HD12 ILE 15 -2.159 9.109 7.965 131 3HD1 ILE 15 HD13 ILE 15 -3.099 7.982 6.986 132 H LYS 16 HN LYS 16 -1.482 7.464 5.913 133 HA LYS 16 HA LYS 16 0.128 5.719 7.357 134 1HB LYS 16 HB2 LYS 16 -0.557 5.870 9.607 135 2HB LYS 16 HB1 LYS 16 -0.186 7.517 9.129 136 1HG LYS 16 HG2 LYS 16 -2.217 8.188 9.692 137 2HG LYS 16 HG1 LYS 16 -2.956 6.983 8.637 138 1HD LYS 16 HD2 LYS 16 -2.522 5.308 10.501 139 2HD LYS 16 HD1 LYS 16 -2.167 6.700 11.526 140 1HE LYS 16 HE2 LYS 16 -4.588 7.272 10.211 141 2HE LYS 16 HE1 LYS 16 -4.705 5.603 10.766 142 1HZ LYS 16 HZ1 LYS 16 -3.695 6.759 12.929 143 2HZ LYS 16 HZ2 LYS 16 -5.357 6.609 12.655 144 3HZ LYS 16 HZ3 LYS 16 -4.571 8.065 12.303 145 H ALA 17 HN ALA 17 -1.153 3.899 8.384 146 HA ALA 17 HA ALA 17 -3.323 3.237 6.563 147 1HB ALA 17 HB1 ALA 17 -1.798 1.479 6.809 148 2HB ALA 17 HB2 ALA 17 -3.183 0.999 7.789 149 3HB ALA 17 HB3 ALA 17 -1.742 1.656 8.562 150 H ILE 18 HN ILE 18 -5.408 2.627 7.193 151 HA ILE 18 HA ILE 18 -6.312 3.902 9.650 152 HB ILE 18 HB ILE 18 -8.000 2.623 7.501 153 1HG1 ILE 18 HG12 ILE 18 -6.646 4.389 6.510 154 2HG1 ILE 18 HG11 ILE 18 -8.319 4.922 6.643 155 1HG2 ILE 18 HG21 ILE 18 -9.523 2.903 9.141 156 2HG2 ILE 18 HG22 ILE 18 -9.509 4.577 8.583 157 3HG2 ILE 18 HG23 ILE 18 -8.549 4.106 9.987 158 1HD1 ILE 18 HD11 ILE 18 -7.413 5.901 8.937 159 2HD1 ILE 18 HD12 ILE 18 -7.289 6.781 7.413 160 3HD1 ILE 18 HD13 ILE 18 -5.898 5.891 8.035 161 H ASP 19 HN ASP 19 -7.302 0.874 8.036 162 HA ASP 19 HA ASP 19 -7.347 -0.397 10.695 163 1HB ASP 19 HB2 ASP 19 -9.597 -0.046 9.675 164 2HB ASP 19 HB1 ASP 19 -9.109 -1.075 8.332 165 H GLY 20 HN GLY 20 -5.050 -0.341 8.985 166 1HA GLY 20 HA2 GLY 20 -3.402 -1.980 8.676 167 2HA GLY 20 HA1 GLY 20 -4.648 -3.216 8.749 168 H ASP 21 HN ASP 21 -6.385 -2.457 6.793 169 HA ASP 21 HA ASP 21 -4.768 -2.898 4.396 170 1HB ASP 21 HB2 ASP 21 -7.666 -3.361 5.065 171 2HB ASP 21 HB1 ASP 21 -7.111 -3.355 3.394 172 H THR 22 HN THR 22 -7.613 -0.971 5.357 173 HA THR 22 HA THR 22 -7.442 0.748 3.092 174 HB THR 22 HB THR 22 -8.848 1.329 5.702 175 HG1 THR 22 HG1 THR 22 -9.600 -0.322 3.542 176 1HG2 THR 22 HG21 THR 22 -10.510 2.394 4.135 177 2HG2 THR 22 HG22 THR 22 -9.269 2.273 2.887 178 3HG2 THR 22 HG23 THR 22 -8.973 3.235 4.336 179 H VAL 23 HN VAL 23 -5.696 1.991 2.818 180 HA VAL 23 HA VAL 23 -4.686 3.498 5.141 181 HB VAL 23 HB VAL 23 -2.535 3.660 3.932 182 1HG1 VAL 23 HG11 VAL 23 -3.452 1.605 5.429 183 2HG1 VAL 23 HG12 VAL 23 -1.797 1.733 4.835 184 3HG1 VAL 23 HG13 VAL 23 -2.974 0.751 3.963 185 1HG2 VAL 23 HG21 VAL 23 -3.347 1.499 2.065 186 2HG2 VAL 23 HG22 VAL 23 -2.135 2.764 1.873 187 3HG2 VAL 23 HG23 VAL 23 -3.845 3.147 1.682 188 H LYS 24 HN LYS 24 -3.956 5.662 4.780 189 HA LYS 24 HA LYS 24 -5.545 7.018 2.746 190 1HB LYS 24 HB2 LYS 24 -5.801 7.941 4.927 191 2HB LYS 24 HB1 LYS 24 -4.063 7.998 5.183 192 1HG LYS 24 HG2 LYS 24 -3.794 9.871 3.862 193 2HG LYS 24 HG1 LYS 24 -5.282 9.574 2.961 194 1HD LYS 24 HD2 LYS 24 -5.226 10.324 5.879 195 2HD LYS 24 HD1 LYS 24 -5.373 11.502 4.573 196 1HE LYS 24 HE2 LYS 24 -7.546 11.077 4.333 197 2HE LYS 24 HE1 LYS 24 -7.260 9.339 4.250 198 1HZ LYS 24 HZ1 LYS 24 -8.676 10.267 6.157 199 2HZ LYS 24 HZ2 LYS 24 -7.205 10.743 6.843 200 3HZ LYS 24 HZ3 LYS 24 -7.499 9.107 6.524 201 H LEU 25 HN LEU 25 -4.717 8.244 1.132 202 HA LEU 25 HA LEU 25 -1.812 8.543 0.890 203 1HB LEU 25 HB2 LEU 25 -3.613 7.001 -0.883 204 2HB LEU 25 HB1 LEU 25 -2.401 7.990 -1.663 205 HG LEU 25 HG LEU 25 -1.259 6.361 0.451 206 1HD1 LEU 25 HD11 LEU 25 -1.610 4.211 -0.419 207 2HD1 LEU 25 HD12 LEU 25 -2.340 4.835 -1.899 208 3HD1 LEU 25 HD13 LEU 25 -3.214 4.941 -0.369 209 1HD2 LEU 25 HD21 LEU 25 0.401 5.943 -1.168 210 2HD2 LEU 25 HD22 LEU 25 -0.128 7.600 -1.464 211 3HD2 LEU 25 HD23 LEU 25 -0.700 6.292 -2.501 212 H MET 26 HN MET 26 -1.429 10.663 0.514 213 HA MET 26 HA MET 26 -3.502 12.433 -0.415 214 1HB MET 26 HB2 MET 26 -1.310 12.866 1.062 215 2HB MET 26 HB1 MET 26 -0.630 13.244 -0.515 216 1HG MET 26 HG2 MET 26 -2.968 14.637 -0.575 217 2HG MET 26 HG1 MET 26 -2.526 14.741 1.129 218 1HE MET 26 HE1 MET 26 -1.933 17.492 1.194 219 2HE MET 26 HE2 MET 26 -2.932 17.212 -0.232 220 3HE MET 26 HE3 MET 26 -1.477 18.200 -0.357 221 H TYR 27 HN TYR 27 -4.166 11.946 -2.432 222 HA TYR 27 HA TYR 27 -2.263 11.406 -4.555 223 1HB TYR 27 HB2 TYR 27 -4.324 10.050 -4.226 224 2HB TYR 27 HB1 TYR 27 -5.276 11.465 -4.638 225 HD1 TYR 27 HD1 TYR 27 -4.411 12.596 -6.956 226 HD2 TYR 27 HD2 TYR 27 -4.072 8.499 -5.888 227 HE1 TYR 27 HE1 TYR 27 -4.319 12.008 -9.319 228 HE2 TYR 27 HE2 TYR 27 -3.963 7.881 -8.263 229 HH TYR 27 HH TYR 27 -4.827 9.016 -10.500 230 H LYS 28 HN LYS 28 -1.286 13.204 -5.273 231 HA LYS 28 HA LYS 28 -0.973 15.338 -6.045 232 1HB LYS 28 HB2 LYS 28 -2.263 13.867 -7.865 233 2HB LYS 28 HB1 LYS 28 -3.474 15.121 -7.637 234 1HG LYS 28 HG2 LYS 28 -2.102 16.784 -8.468 235 2HG LYS 28 HG1 LYS 28 -0.629 15.866 -8.153 236 1HD LYS 28 HD2 LYS 28 -0.974 14.465 -10.003 237 2HD LYS 28 HD1 LYS 28 -2.671 14.930 -10.145 238 1HE LYS 28 HE2 LYS 28 -1.949 16.299 -11.767 239 2HE LYS 28 HE1 LYS 28 -1.416 17.329 -10.440 240 1HZ LYS 28 HZ1 LYS 28 0.390 17.054 -11.940 241 2HZ LYS 28 HZ2 LYS 28 0.222 15.371 -11.952 242 3HZ LYS 28 HZ3 LYS 28 0.754 16.156 -10.552 243 H GLY 29 HN GLY 29 -2.070 15.617 -3.618 244 1HA GLY 29 HA2 GLY 29 -2.906 17.475 -2.463 245 2HA GLY 29 HA1 GLY 29 -3.658 18.033 -3.949 246 H GLN 30 HN GLN 30 -4.659 15.062 -4.101 247 HA GLN 30 HA GLN 30 -6.962 15.470 -2.307 248 1HB GLN 30 HB2 GLN 30 -7.423 13.685 -4.587 249 2HB GLN 30 HB1 GLN 30 -8.407 15.011 -3.987 250 1HG GLN 30 HG2 GLN 30 -7.730 16.344 -5.625 251 2HG GLN 30 HG1 GLN 30 -6.033 15.997 -5.306 252 1HE2 GLN 30 HE21 GLN 30 -5.965 13.298 -5.782 253 2HE2 GLN 30 HE22 GLN 30 -6.250 13.005 -7.457 254 HA PRO 31 HA PRO 31 -5.070 11.576 -0.894 255 1HB PRO 31 HB2 PRO 31 -6.501 12.109 1.598 256 2HB PRO 31 HB1 PRO 31 -4.764 11.948 1.322 257 1HG PRO 31 HG2 PRO 31 -5.916 14.315 1.926 258 2HG PRO 31 HG1 PRO 31 -4.493 14.191 0.875 259 1HD PRO 31 HD2 PRO 31 -7.369 14.524 0.125 260 2HD PRO 31 HD1 PRO 31 -5.944 15.345 -0.536 261 H MET 32 HN MET 32 -5.908 9.653 -1.224 262 HA MET 32 HA MET 32 -8.789 9.235 -0.759 263 1HB MET 32 HB2 MET 32 -7.088 8.189 -3.031 264 2HB MET 32 HB1 MET 32 -8.723 7.642 -2.691 265 1HG MET 32 HG2 MET 32 -8.336 10.552 -3.000 266 2HG MET 32 HG1 MET 32 -8.153 9.565 -4.448 267 1HE MET 32 HE1 MET 32 -10.352 10.880 -5.605 268 2HE MET 32 HE2 MET 32 -10.171 11.855 -4.147 269 3HE MET 32 HE3 MET 32 -11.758 11.235 -4.602 270 H THR 33 HN THR 33 -9.379 7.022 -0.255 271 HA THR 33 HA THR 33 -7.375 5.777 1.430 272 HB THR 33 HB THR 33 -9.439 4.176 1.807 273 HG1 THR 33 HG1 THR 33 -11.363 5.081 1.314 274 1HG2 THR 33 HG21 THR 33 -8.465 5.923 3.395 275 2HG2 THR 33 HG22 THR 33 -10.145 5.436 3.625 276 3HG2 THR 33 HG23 THR 33 -9.771 6.966 2.829 277 H PHE 34 HN PHE 34 -6.078 4.216 0.730 278 HA PHE 34 HA PHE 34 -6.972 2.584 -1.548 279 1HB PHE 34 HB2 PHE 34 -4.161 3.237 -0.658 280 2HB PHE 34 HB1 PHE 34 -4.573 2.155 -1.987 281 HD1 PHE 34 HD1 PHE 34 -4.703 3.006 -4.125 282 HD2 PHE 34 HD2 PHE 34 -5.189 5.620 -0.806 283 HE1 PHE 34 HE1 PHE 34 -4.787 4.935 -5.657 284 HE2 PHE 34 HE2 PHE 34 -5.273 7.549 -2.325 285 HZ PHE 34 HZ PHE 34 -5.080 7.210 -4.755 286 H ARG 35 HN ARG 35 -7.781 0.727 -0.815 287 HA ARG 35 HA ARG 35 -6.644 -0.542 1.551 288 1HB ARG 35 HB2 ARG 35 -8.995 -0.442 1.639 289 2HB ARG 35 HB1 ARG 35 -9.166 -0.942 -0.037 290 1HG ARG 35 HG2 ARG 35 -7.818 -2.959 1.543 291 2HG ARG 35 HG1 ARG 35 -9.395 -2.542 2.218 292 1HD ARG 35 HD2 ARG 35 -10.206 -2.767 -0.246 293 2HD ARG 35 HD1 ARG 35 -8.720 -3.692 -0.459 294 HE ARG 35 HE ARG 35 -9.649 -5.409 0.742 295 1HH1 ARG 35 HH11 ARG 35 -11.580 -2.535 1.182 296 2HH1 ARG 35 HH12 ARG 35 -12.858 -3.369 2.000 297 1HH2 ARG 35 HH21 ARG 35 -11.331 -6.507 1.815 298 2HH2 ARG 35 HH22 ARG 35 -12.717 -5.624 2.360 299 H LEU 36 HN LEU 36 -4.943 -1.809 1.204 300 HA LEU 36 HA LEU 36 -5.012 -4.229 -0.082 301 1HB LEU 36 HB2 LEU 36 -4.918 -2.240 -2.026 302 2HB LEU 36 HB1 LEU 36 -3.260 -2.793 -1.907 303 HG LEU 36 HG LEU 36 -4.472 -5.176 -2.050 304 1HD1 LEU 36 HD11 LEU 36 -6.279 -5.054 -3.717 305 2HD1 LEU 36 HD12 LEU 36 -6.271 -3.297 -3.571 306 3HD1 LEU 36 HD13 LEU 36 -6.717 -4.294 -2.187 307 1HD2 LEU 36 HD21 LEU 36 -4.205 -4.798 -4.647 308 2HD2 LEU 36 HD22 LEU 36 -2.804 -4.859 -3.577 309 3HD2 LEU 36 HD23 LEU 36 -3.437 -3.302 -4.112 310 H LEU 37 HN LEU 37 -3.089 -1.462 0.825 311 HA LEU 37 HA LEU 37 -0.551 -2.637 0.880 312 1HB LEU 37 HB2 LEU 37 -1.339 -0.167 1.223 313 2HB LEU 37 HB1 LEU 37 -1.384 -0.612 2.919 314 HG LEU 37 HG LEU 37 1.025 -0.618 1.106 315 1HD1 LEU 37 HD11 LEU 37 0.440 1.580 1.880 316 2HD1 LEU 37 HD12 LEU 37 1.864 1.024 2.757 317 3HD1 LEU 37 HD13 LEU 37 0.283 0.997 3.537 318 1HD2 LEU 37 HD21 LEU 37 0.738 -1.589 3.944 319 2HD2 LEU 37 HD22 LEU 37 2.280 -1.284 3.143 320 3HD2 LEU 37 HD23 LEU 37 1.202 -2.539 2.533 321 H LEU 38 HN LEU 38 -1.047 -4.796 1.698 322 HA LEU 38 HA LEU 38 -0.229 -5.186 4.325 323 1HB LEU 38 HB2 LEU 38 -2.751 -4.288 4.460 324 2HB LEU 38 HB1 LEU 38 -3.081 -5.995 4.238 325 HG LEU 38 HG LEU 38 -1.320 -4.894 6.426 326 1HD1 LEU 38 HD11 LEU 38 -3.732 -6.022 7.413 327 2HD1 LEU 38 HD12 LEU 38 -4.145 -4.809 6.201 328 3HD1 LEU 38 HD13 LEU 38 -3.136 -4.371 7.580 329 1HD2 LEU 38 HD21 LEU 38 -2.538 -7.622 6.008 330 2HD2 LEU 38 HD22 LEU 38 -1.565 -7.120 7.391 331 3HD2 LEU 38 HD23 LEU 38 -0.839 -7.203 5.785 332 H VAL 39 HN VAL 39 0.819 -6.448 2.407 333 HA VAL 39 HA VAL 39 -0.555 -9.024 2.040 334 HB VAL 39 HB VAL 39 1.875 -8.021 0.553 335 1HG1 VAL 39 HG11 VAL 39 1.064 -10.554 0.759 336 2HG1 VAL 39 HG12 VAL 39 1.770 -9.898 -0.718 337 3HG1 VAL 39 HG13 VAL 39 0.018 -10.038 -0.564 338 1HG2 VAL 39 HG21 VAL 39 0.288 -7.584 -1.315 339 2HG2 VAL 39 HG22 VAL 39 0.076 -6.510 0.069 340 3HG2 VAL 39 HG23 VAL 39 -1.042 -7.850 -0.188 341 H ASP 40 HN ASP 40 -0.012 -10.442 3.573 342 HA ASP 40 HA ASP 40 2.837 -10.846 4.132 343 1HB ASP 40 HB2 ASP 40 2.073 -11.305 6.572 344 2HB ASP 40 HB1 ASP 40 2.294 -9.640 6.047 345 H THR 41 HN THR 41 3.175 -12.926 5.401 346 HA THR 41 HA THR 41 1.170 -14.971 4.743 347 HB THR 41 HB THR 41 2.691 -15.176 2.923 348 HG1 THR 41 HG1 THR 41 3.587 -17.021 4.876 349 1HG2 THR 41 HG21 THR 41 5.189 -15.656 3.550 350 2HG2 THR 41 HG22 THR 41 4.803 -14.633 4.933 351 3HG2 THR 41 HG23 THR 41 4.607 -14.012 3.295 352 HA PRO 42 HA PRO 42 2.377 -15.629 9.059 353 1HB PRO 42 HB2 PRO 42 0.018 -17.356 9.158 354 2HB PRO 42 HB1 PRO 42 0.347 -15.863 10.039 355 1HG PRO 42 HG2 PRO 42 -1.513 -15.986 8.096 356 2HG PRO 42 HG1 PRO 42 -0.540 -14.528 8.379 357 1HD PRO 42 HD2 PRO 42 -0.160 -16.684 6.318 358 2HD PRO 42 HD1 PRO 42 -0.097 -14.921 6.117 359 H GLU 43 HN GLU 43 3.928 -16.991 9.508 360 HA GLU 43 HA GLU 43 4.928 -18.982 10.061 361 1HB GLU 43 HB2 GLU 43 2.510 -19.886 10.125 362 2HB GLU 43 HB1 GLU 43 2.855 -20.518 8.521 363 1HG GLU 43 HG2 GLU 43 4.953 -21.179 10.394 364 2HG GLU 43 HG1 GLU 43 3.378 -21.745 10.949 365 H THR 44 HN THR 44 3.532 -19.033 6.778 366 HA THR 44 HA THR 44 6.016 -20.185 5.773 367 HB THR 44 HB THR 44 4.505 -19.880 3.557 368 HG1 THR 44 HG1 THR 44 2.609 -20.334 5.606 369 1HG2 THR 44 HG21 THR 44 3.384 -22.162 4.558 370 2HG2 THR 44 HG22 THR 44 4.890 -22.036 5.468 371 3HG2 THR 44 HG23 THR 44 4.924 -22.056 3.706 372 H LYS 45 HN LYS 45 7.054 -19.271 3.869 373 HA LYS 45 HA LYS 45 7.005 -16.331 3.945 374 1HB LYS 45 HB2 LYS 45 9.276 -16.419 3.052 375 2HB LYS 45 HB1 LYS 45 9.156 -17.374 4.524 376 1HG LYS 45 HG2 LYS 45 8.605 -19.133 2.407 377 2HG LYS 45 HG1 LYS 45 9.997 -18.170 1.906 378 1HD LYS 45 HD2 LYS 45 11.216 -18.789 3.872 379 2HD LYS 45 HD1 LYS 45 9.796 -19.567 4.570 380 1HE LYS 45 HE2 LYS 45 10.708 -21.444 3.728 381 2HE LYS 45 HE1 LYS 45 9.991 -20.890 2.217 382 1HZ LYS 45 HZ1 LYS 45 12.640 -19.863 2.850 383 2HZ LYS 45 HZ2 LYS 45 11.991 -20.343 1.363 384 3HZ LYS 45 HZ3 LYS 45 12.549 -21.506 2.455 385 H HIS 46 HN HIS 46 5.627 -18.674 2.228 386 HA HIS 46 HA HIS 46 6.269 -18.006 -0.462 387 1HB HIS 46 HB2 HIS 46 4.301 -19.711 0.942 388 2HB HIS 46 HB1 HIS 46 3.807 -19.137 -0.646 389 HD1 HIS 46 HD1 HIS 46 4.562 -22.139 0.177 390 HD2 HIS 46 HD2 HIS 46 6.945 -19.461 -1.923 391 HE1 HIS 46 HE1 HIS 46 6.183 -23.557 -1.122 392 HE2 HIS 46 HE2 HIS 46 7.677 -21.912 -2.308 393 HA PRO 47 HA PRO 47 3.728 -14.519 -1.338 394 1HB PRO 47 HB2 PRO 47 2.223 -15.256 -3.502 395 2HB PRO 47 HB1 PRO 47 3.934 -14.823 -3.594 396 1HG PRO 47 HG2 PRO 47 2.666 -17.532 -3.500 397 2HG PRO 47 HG1 PRO 47 4.016 -16.960 -4.499 398 1HD PRO 47 HD2 PRO 47 4.411 -18.440 -2.289 399 2HD PRO 47 HD1 PRO 47 5.543 -17.164 -2.775 400 H LYS 48 HN LYS 48 2.644 -15.430 0.805 401 HA LYS 48 HA LYS 48 -0.186 -16.008 0.299 402 1HB LYS 48 HB2 LYS 48 0.976 -16.009 3.053 403 2HB LYS 48 HB1 LYS 48 -0.351 -16.952 2.405 404 1HG LYS 48 HG2 LYS 48 2.476 -17.395 1.511 405 2HG LYS 48 HG1 LYS 48 1.809 -18.181 2.943 406 1HD LYS 48 HD2 LYS 48 1.419 -19.755 1.293 407 2HD LYS 48 HD1 LYS 48 -0.114 -18.885 1.347 408 1HE LYS 48 HE2 LYS 48 0.387 -17.677 -0.614 409 2HE LYS 48 HE1 LYS 48 2.087 -18.138 -0.557 410 1HZ LYS 48 HZ1 LYS 48 0.005 -20.202 -0.840 411 2HZ LYS 48 HZ2 LYS 48 1.628 -20.252 -1.315 412 3HZ LYS 48 HZ3 LYS 48 0.518 -19.326 -2.194 413 H LYS 49 HN LYS 49 -1.709 -14.946 1.914 414 HA LYS 49 HA LYS 49 -0.943 -12.129 2.291 415 1HB LYS 49 HB2 LYS 49 -3.673 -13.142 1.487 416 2HB LYS 49 HB1 LYS 49 -3.201 -11.461 1.690 417 1HG LYS 49 HG2 LYS 49 -1.681 -11.632 -0.190 418 2HG LYS 49 HG1 LYS 49 -2.070 -13.344 -0.370 419 1HD LYS 49 HD2 LYS 49 -4.123 -11.146 -0.551 420 2HD LYS 49 HD1 LYS 49 -3.264 -11.789 -1.951 421 1HE LYS 49 HE2 LYS 49 -4.098 -14.091 -1.016 422 2HE LYS 49 HE1 LYS 49 -5.305 -13.092 -0.207 423 1HZ LYS 49 HZ1 LYS 49 -6.339 -12.627 -2.134 424 2HZ LYS 49 HZ2 LYS 49 -5.604 -14.057 -2.663 425 3HZ LYS 49 HZ3 LYS 49 -4.908 -12.562 -3.035 426 H GLY 50 HN GLY 50 -1.411 -14.768 3.998 427 1HA GLY 50 HA2 GLY 50 -3.465 -14.145 5.823 428 2HA GLY 50 HA1 GLY 50 -2.111 -15.219 6.137 429 H VAL 51 HN VAL 51 -3.584 -12.780 7.442 430 HA VAL 51 HA VAL 51 -1.338 -11.039 8.015 431 HB VAL 51 HB VAL 51 -2.998 -9.855 9.502 432 1HG1 VAL 51 HG11 VAL 51 -4.502 -9.524 7.184 433 2HG1 VAL 51 HG12 VAL 51 -2.906 -10.020 6.619 434 3HG1 VAL 51 HG13 VAL 51 -3.073 -8.608 7.662 435 1HG2 VAL 51 HG21 VAL 51 -4.427 -12.163 9.360 436 2HG2 VAL 51 HG22 VAL 51 -5.261 -11.166 8.168 437 3HG2 VAL 51 HG23 VAL 51 -5.094 -10.600 9.830 438 H GLU 52 HN GLU 52 0.080 -12.389 9.158 439 HA GLU 52 HA GLU 52 -0.585 -14.012 11.329 440 1HB GLU 52 HB2 GLU 52 1.864 -13.596 12.008 441 2HB GLU 52 HB1 GLU 52 1.556 -14.353 10.452 442 1HG GLU 52 HG2 GLU 52 1.613 -11.551 10.051 443 2HG GLU 52 HG1 GLU 52 3.014 -11.990 11.028 444 H LYS 53 HN LYS 53 0.674 -13.415 13.569 445 HA LYS 53 HA LYS 53 -0.777 -11.069 14.534 446 1HB LYS 53 HB2 LYS 53 -0.448 -13.624 15.561 447 2HB LYS 53 HB1 LYS 53 0.612 -12.637 16.558 448 1HG LYS 53 HG2 LYS 53 -1.649 -12.869 17.497 449 2HG LYS 53 HG1 LYS 53 -1.218 -11.191 17.158 450 1HD LYS 53 HD2 LYS 53 -3.082 -11.008 15.958 451 2HD LYS 53 HD1 LYS 53 -2.416 -12.176 14.814 452 1HE LYS 53 HE2 LYS 53 -3.291 -13.916 16.574 453 2HE LYS 53 HE1 LYS 53 -4.348 -12.586 17.049 454 1HZ LYS 53 HZ1 LYS 53 -4.375 -14.205 14.641 455 2HZ LYS 53 HZ2 LYS 53 -4.654 -12.554 14.404 456 3HZ LYS 53 HZ3 LYS 53 -5.650 -13.436 15.446 457 H TYR 54 HN TYR 54 0.554 -9.388 13.889 458 HA TYR 54 HA TYR 54 3.072 -9.174 15.394 459 1HB TYR 54 HB2 TYR 54 4.076 -7.968 13.481 460 2HB TYR 54 HB1 TYR 54 3.656 -9.630 13.074 461 HD1 TYR 54 HD1 TYR 54 2.370 -6.154 12.848 462 HD2 TYR 54 HD2 TYR 54 2.348 -10.067 11.194 463 HE1 TYR 54 HE1 TYR 54 1.038 -5.339 10.966 464 HE2 TYR 54 HE2 TYR 54 1.012 -9.266 9.291 465 HH TYR 54 HH TYR 54 0.489 -7.224 8.139 466 H GLY 55 HN GLY 55 0.313 -7.571 13.911 467 1HA GLY 55 HA2 GLY 55 -0.840 -5.716 14.632 468 2HA GLY 55 HA1 GLY 55 0.294 -5.575 15.960 469 HA PRO 56 HA PRO 56 1.549 -1.590 14.482 470 1HB PRO 56 HB2 PRO 56 4.179 -2.822 15.206 471 2HB PRO 56 HB1 PRO 56 3.600 -1.178 15.512 472 1HG PRO 56 HG2 PRO 56 3.507 -3.018 17.431 473 2HG PRO 56 HG1 PRO 56 2.183 -1.856 17.224 474 1HD PRO 56 HD2 PRO 56 2.246 -4.749 16.654 475 2HD PRO 56 HD1 PRO 56 0.858 -3.690 16.964 476 H GLU 57 HN GLU 57 3.543 -4.380 13.475 477 HA GLU 57 HA GLU 57 5.023 -3.278 11.482 478 1HB GLU 57 HB2 GLU 57 4.306 -5.879 12.260 479 2HB GLU 57 HB1 GLU 57 4.010 -5.796 10.528 480 1HG GLU 57 HG2 GLU 57 6.210 -6.531 10.714 481 2HG GLU 57 HG1 GLU 57 6.351 -4.813 10.345 482 H ALA 58 HN ALA 58 1.592 -3.581 11.429 483 HA ALA 58 HA ALA 58 1.419 -3.326 8.547 484 1HB ALA 58 HB1 ALA 58 -1.135 -3.082 9.386 485 2HB ALA 58 HB2 ALA 58 -0.438 -4.001 10.722 486 3HB ALA 58 HB3 ALA 58 -0.336 -4.623 9.076 487 H SER 59 HN SER 59 -0.075 -1.520 11.250 488 HA SER 59 HA SER 59 -0.315 0.809 9.543 489 1HB SER 59 HB2 SER 59 -1.813 -0.220 11.652 490 2HB SER 59 HB1 SER 59 -1.070 1.236 12.316 491 HG SER 59 HG SER 59 -2.932 0.956 10.266 492 H ALA 60 HN ALA 60 1.614 -0.219 12.280 493 HA ALA 60 HA ALA 60 2.652 2.384 12.856 494 1HB ALA 60 HB1 ALA 60 3.863 1.388 14.549 495 2HB ALA 60 HB2 ALA 60 4.033 -0.134 13.674 496 3HB ALA 60 HB3 ALA 60 2.482 0.303 14.392 497 H PHE 61 HN PHE 61 3.728 -0.337 10.887 498 HA PHE 61 HA PHE 61 6.274 0.960 10.347 499 1HB PHE 61 HB2 PHE 61 5.489 -1.680 10.472 500 2HB PHE 61 HB1 PHE 61 5.639 -1.399 8.742 501 HD1 PHE 61 HD1 PHE 61 7.856 0.114 8.210 502 HD2 PHE 61 HD2 PHE 61 7.336 -2.580 11.464 503 HE1 PHE 61 HE1 PHE 61 10.296 -0.149 8.378 504 HE2 PHE 61 HE2 PHE 61 9.776 -2.847 11.638 505 HZ PHE 61 HZ PHE 61 11.260 -1.629 10.094 506 H THR 62 HN THR 62 3.198 0.424 8.760 507 HA THR 62 HA THR 62 3.981 0.954 6.127 508 HB THR 62 HB THR 62 1.800 -0.008 6.768 509 HG1 THR 62 HG1 THR 62 2.188 1.136 4.723 510 1HG2 THR 62 HG21 THR 62 1.373 1.686 8.624 511 2HG2 THR 62 HG22 THR 62 0.015 1.217 7.605 512 3HG2 THR 62 HG23 THR 62 0.822 2.761 7.340 513 H LYS 63 HN LYS 63 2.565 3.234 8.507 514 HA LYS 63 HA LYS 63 2.856 5.508 6.860 515 1HB LYS 63 HB2 LYS 63 2.521 6.790 8.962 516 2HB LYS 63 HB1 LYS 63 1.318 5.530 8.727 517 1HG LYS 63 HG2 LYS 63 3.035 4.136 10.165 518 2HG LYS 63 HG1 LYS 63 3.467 5.744 10.749 519 1HD LYS 63 HD2 LYS 63 0.635 4.720 10.673 520 2HD LYS 63 HD1 LYS 63 1.691 4.532 12.074 521 1HE LYS 63 HE2 LYS 63 1.989 7.005 12.096 522 2HE LYS 63 HE1 LYS 63 0.787 7.116 10.812 523 1HZ LYS 63 HZ1 LYS 63 0.431 6.537 13.643 524 2HZ LYS 63 HZ2 LYS 63 -0.560 5.679 12.574 525 3HZ LYS 63 HZ3 LYS 63 -0.579 7.371 12.572 526 H LYS 64 HN LYS 64 4.897 4.123 9.403 527 HA LYS 64 HA LYS 64 6.830 6.168 9.445 528 1HB LYS 64 HB2 LYS 64 6.551 4.420 11.199 529 2HB LYS 64 HB1 LYS 64 7.230 3.241 10.085 530 1HG LYS 64 HG2 LYS 64 8.995 5.477 10.259 531 2HG LYS 64 HG1 LYS 64 8.588 4.929 11.886 532 1HD LYS 64 HD2 LYS 64 9.261 2.851 9.880 533 2HD LYS 64 HD1 LYS 64 10.580 3.864 10.469 534 1HE LYS 64 HE2 LYS 64 8.697 2.655 12.438 535 2HE LYS 64 HE1 LYS 64 9.925 1.630 11.696 536 1HZ LYS 64 HZ1 LYS 64 11.612 3.217 12.458 537 2HZ LYS 64 HZ2 LYS 64 10.746 2.549 13.748 538 3HZ LYS 64 HZ3 LYS 64 10.413 4.125 13.232 539 H MET 65 HN MET 65 6.779 3.052 7.725 540 HA MET 65 HA MET 65 9.259 3.239 6.487 541 1HB MET 65 HB2 MET 65 7.704 1.244 6.525 542 2HB MET 65 HB1 MET 65 6.806 2.014 5.225 543 1HG MET 65 HG2 MET 65 8.162 0.999 3.805 544 2HG MET 65 HG1 MET 65 9.446 2.065 4.369 545 1HE MET 65 HE1 MET 65 11.139 -1.087 3.754 546 2HE MET 65 HE2 MET 65 11.953 0.051 4.827 547 3HE MET 65 HE3 MET 65 10.962 0.650 3.496 548 H VAL 66 HN VAL 66 6.231 4.785 5.693 549 HA VAL 66 HA VAL 66 7.277 5.762 3.153 550 HB VAL 66 HB VAL 66 5.072 6.744 2.801 551 1HG1 VAL 66 HG11 VAL 66 3.724 4.607 2.897 552 2HG1 VAL 66 HG12 VAL 66 5.122 3.869 3.681 553 3HG1 VAL 66 HG13 VAL 66 5.267 4.515 2.046 554 1HG2 VAL 66 HG21 VAL 66 4.654 7.291 5.202 555 2HG2 VAL 66 HG22 VAL 66 4.286 5.588 5.471 556 3HG2 VAL 66 HG23 VAL 66 3.285 6.545 4.380 557 H GLU 67 HN GLU 67 6.580 6.870 6.397 558 HA GLU 67 HA GLU 67 6.790 9.656 5.821 559 1HB GLU 67 HB2 GLU 67 6.549 7.968 8.230 560 2HB GLU 67 HB1 GLU 67 7.356 9.512 8.469 561 1HG GLU 67 HG2 GLU 67 5.375 10.593 7.358 562 2HG GLU 67 HG1 GLU 67 4.573 9.026 7.449 563 H ASN 68 HN ASN 68 9.127 7.271 5.794 564 HA ASN 68 HA ASN 68 11.254 8.992 6.810 565 1HB ASN 68 HB2 ASN 68 11.095 6.091 6.054 566 2HB ASN 68 HB1 ASN 68 12.658 6.890 6.199 567 1HD2 ASN 68 HD21 ASN 68 12.037 4.782 7.801 568 2HD2 ASN 68 HD22 ASN 68 11.824 5.321 9.429 569 H ALA 69 HN ALA 69 9.976 7.781 3.800 570 HA ALA 69 HA ALA 69 12.242 8.979 2.354 571 1HB ALA 69 HB1 ALA 69 10.242 7.291 0.948 572 2HB ALA 69 HB2 ALA 69 11.382 6.501 2.038 573 3HB ALA 69 HB3 ALA 69 11.978 7.454 0.679 574 H LYS 70 HN LYS 70 11.862 10.343 0.569 575 HA LYS 70 HA LYS 70 9.331 11.806 0.758 576 1HB LYS 70 HB2 LYS 70 11.750 12.842 0.874 577 2HB LYS 70 HB1 LYS 70 11.645 12.757 -0.879 578 1HG LYS 70 HG2 LYS 70 9.698 14.164 -0.887 579 2HG LYS 70 HG1 LYS 70 9.629 14.143 0.876 580 1HD LYS 70 HD2 LYS 70 12.074 15.132 -0.548 581 2HD LYS 70 HD1 LYS 70 10.678 16.188 -0.318 582 1HE LYS 70 HE2 LYS 70 12.317 14.825 1.812 583 2HE LYS 70 HE1 LYS 70 12.208 16.554 1.489 584 1HZ LYS 70 HZ1 LYS 70 10.315 14.793 2.848 585 2HZ LYS 70 HZ2 LYS 70 9.671 16.058 1.928 586 3HZ LYS 70 HZ3 LYS 70 10.743 16.394 3.194 587 H LYS 71 HN LYS 71 9.967 9.218 -0.795 588 HA LYS 71 HA LYS 71 8.696 10.110 -3.283 589 1HB LYS 71 HB2 LYS 71 10.063 8.304 -4.461 590 2HB LYS 71 HB1 LYS 71 10.898 9.791 -4.033 591 1HG LYS 71 HG2 LYS 71 11.341 8.251 -1.827 592 2HG LYS 71 HG1 LYS 71 11.339 7.051 -3.121 593 1HD LYS 71 HD2 LYS 71 13.550 7.683 -3.117 594 2HD LYS 71 HD1 LYS 71 12.888 8.790 -4.320 595 1HE LYS 71 HE2 LYS 71 13.043 9.557 -1.427 596 2HE LYS 71 HE1 LYS 71 14.438 9.735 -2.490 597 1HZ LYS 71 HZ1 LYS 71 13.356 11.783 -2.569 598 2HZ LYS 71 HZ2 LYS 71 11.816 11.088 -2.665 599 3HZ LYS 71 HZ3 LYS 71 12.861 11.014 -3.992 600 H ILE 72 HN ILE 72 6.710 9.333 -2.851 601 HA ILE 72 HA ILE 72 6.492 6.447 -2.297 602 HB ILE 72 HB ILE 72 4.422 8.524 -1.603 603 1HG1 ILE 72 HG12 ILE 72 5.501 7.527 0.769 604 2HG1 ILE 72 HG11 ILE 72 6.904 7.832 -0.252 605 1HG2 ILE 72 HG21 ILE 72 4.026 5.914 -1.921 606 2HG2 ILE 72 HG22 ILE 72 3.192 6.852 -0.683 607 3HG2 ILE 72 HG23 ILE 72 4.610 5.893 -0.258 608 1HD1 ILE 72 HD11 ILE 72 5.075 10.035 -0.400 609 2HD1 ILE 72 HD12 ILE 72 6.760 10.006 0.119 610 3HD1 ILE 72 HD13 ILE 72 5.474 9.672 1.279 611 H GLU 73 HN GLU 73 6.343 5.740 -4.412 612 HA GLU 73 HA GLU 73 4.145 6.860 -6.019 613 1HB GLU 73 HB2 GLU 73 6.395 5.072 -6.945 614 2HB GLU 73 HB1 GLU 73 5.213 5.879 -7.961 615 1HG GLU 73 HG2 GLU 73 6.396 7.904 -6.450 616 2HG GLU 73 HG1 GLU 73 7.717 6.844 -6.935 617 H VAL 74 HN VAL 74 2.387 5.693 -6.463 618 HA VAL 74 HA VAL 74 2.309 2.927 -5.473 619 HB VAL 74 HB VAL 74 -0.158 3.211 -5.455 620 1HG1 VAL 74 HG11 VAL 74 0.997 5.480 -3.890 621 2HG1 VAL 74 HG12 VAL 74 1.498 3.825 -3.539 622 3HG1 VAL 74 HG13 VAL 74 -0.202 4.280 -3.406 623 1HG2 VAL 74 HG21 VAL 74 -1.196 5.284 -5.876 624 2HG2 VAL 74 HG22 VAL 74 -0.101 5.017 -7.232 625 3HG2 VAL 74 HG23 VAL 74 0.349 6.133 -5.943 626 H GLU 75 HN GLU 75 1.473 1.269 -6.693 627 HA GLU 75 HA GLU 75 1.373 1.765 -9.584 628 1HB GLU 75 HB2 GLU 75 2.861 -0.040 -8.391 629 2HB GLU 75 HB1 GLU 75 1.374 -0.974 -8.374 630 1HG GLU 75 HG2 GLU 75 1.222 -0.695 -10.828 631 2HG GLU 75 HG1 GLU 75 2.786 0.118 -10.796 632 H PHE 76 HN PHE 76 -0.836 2.715 -8.556 633 HA PHE 76 HA PHE 76 -2.872 0.617 -8.572 634 1HB PHE 76 HB2 PHE 76 -4.036 1.910 -7.151 635 2HB PHE 76 HB1 PHE 76 -2.556 2.842 -6.991 636 HD1 PHE 76 HD1 PHE 76 -5.876 3.246 -7.222 637 HD2 PHE 76 HD2 PHE 76 -2.357 4.492 -9.262 638 HE1 PHE 76 HE1 PHE 76 -7.057 5.239 -8.037 639 HE2 PHE 76 HE2 PHE 76 -3.535 6.486 -10.082 640 HZ PHE 76 HZ PHE 76 -5.890 6.864 -9.471 641 H ASP 77 HN ASP 77 -4.960 1.144 -9.696 642 HA ASP 77 HA ASP 77 -4.385 2.166 -12.387 643 1HB ASP 77 HB2 ASP 77 -5.426 -0.244 -11.686 644 2HB ASP 77 HB1 ASP 77 -6.907 0.685 -11.932 645 H LYS 78 HN LYS 78 -6.191 3.263 -13.517 646 HA LYS 78 HA LYS 78 -7.423 5.204 -11.725 647 1HB LYS 78 HB2 LYS 78 -6.243 5.393 -14.243 648 2HB LYS 78 HB1 LYS 78 -7.962 5.605 -14.549 649 1HG LYS 78 HG2 LYS 78 -6.262 7.209 -12.653 650 2HG LYS 78 HG1 LYS 78 -6.926 7.746 -14.197 651 1HD LYS 78 HD2 LYS 78 -9.199 7.435 -13.302 652 2HD LYS 78 HD1 LYS 78 -8.508 6.950 -11.752 653 1HE LYS 78 HE2 LYS 78 -9.189 9.279 -11.684 654 2HE LYS 78 HE1 LYS 78 -7.436 9.144 -11.552 655 1HZ LYS 78 HZ1 LYS 78 -8.905 9.783 -14.053 656 2HZ LYS 78 HZ2 LYS 78 -7.225 9.737 -13.865 657 3HZ LYS 78 HZ3 LYS 78 -8.133 10.920 -13.066 658 H GLY 79 HN GLY 79 -8.425 2.382 -12.075 659 1HA GLY 79 HA2 GLY 79 -11.220 3.086 -12.275 660 2HA GLY 79 HA1 GLY 79 -10.653 1.993 -13.530 661 H GLN 80 HN GLN 80 -9.110 1.816 -10.472 662 HA GLN 80 HA GLN 80 -10.009 -0.873 -10.140 663 1HB GLN 80 HB2 GLN 80 -8.221 0.868 -8.449 664 2HB GLN 80 HB1 GLN 80 -8.560 -0.825 -8.110 665 1HG GLN 80 HG2 GLN 80 -7.634 -0.192 -10.818 666 2HG GLN 80 HG1 GLN 80 -6.454 0.002 -9.531 667 1HE2 GLN 80 HE21 GLN 80 -5.229 -1.718 -10.367 668 2HE2 GLN 80 HE22 GLN 80 -5.717 -3.361 -10.154 669 H ARG 81 HN ARG 81 -11.510 -1.593 -8.984 670 HA ARG 81 HA ARG 81 -13.740 -0.582 -8.090 671 1HB ARG 81 HB2 ARG 81 -12.092 -2.767 -7.034 672 2HB ARG 81 HB1 ARG 81 -13.265 -2.144 -5.883 673 1HG ARG 81 HG2 ARG 81 -14.477 -3.789 -6.909 674 2HG ARG 81 HG1 ARG 81 -14.926 -2.385 -7.880 675 1HD ARG 81 HD2 ARG 81 -14.445 -4.014 -9.472 676 2HD ARG 81 HD1 ARG 81 -12.961 -3.065 -9.393 677 HE ARG 81 HE ARG 81 -12.735 -5.178 -7.581 678 1HH1 ARG 81 HH11 ARG 81 -12.948 -4.678 -11.028 679 2HH1 ARG 81 HH12 ARG 81 -12.037 -6.098 -11.416 680 1HH2 ARG 81 HH21 ARG 81 -11.537 -7.045 -8.089 681 2HH2 ARG 81 HH22 ARG 81 -11.236 -7.443 -9.748 682 H THR 82 HN THR 82 -14.350 1.148 -6.991 683 HA THR 82 HA THR 82 -12.621 2.114 -4.821 684 HB THR 82 HB THR 82 -13.343 4.310 -5.269 685 HG1 THR 82 HG1 THR 82 -15.117 4.725 -6.663 686 1HG2 THR 82 HG21 THR 82 -13.317 3.032 -7.990 687 2HG2 THR 82 HG22 THR 82 -11.880 3.449 -7.058 688 3HG2 THR 82 HG23 THR 82 -12.978 4.718 -7.601 689 H ASP 83 HN ASP 83 -13.881 3.445 -3.145 690 HA ASP 83 HA ASP 83 -16.566 2.968 -2.558 691 1HB ASP 83 HB2 ASP 83 -15.298 0.629 -2.246 692 2HB ASP 83 HB1 ASP 83 -14.977 1.321 -0.658 693 H LYS 84 HN LYS 84 -17.202 3.802 -0.478 694 HA LYS 84 HA LYS 84 -17.155 5.549 0.992 695 1HB LYS 84 HB2 LYS 84 -16.293 3.722 2.340 696 2HB LYS 84 HB1 LYS 84 -14.656 4.048 1.792 697 1HG LYS 84 HG2 LYS 84 -14.608 5.086 3.814 698 2HG LYS 84 HG1 LYS 84 -15.159 6.429 2.810 699 1HD LYS 84 HD2 LYS 84 -17.023 4.573 4.281 700 2HD LYS 84 HD1 LYS 84 -16.436 6.097 4.950 701 1HE LYS 84 HE2 LYS 84 -17.327 7.109 2.727 702 2HE LYS 84 HE1 LYS 84 -18.272 5.623 2.636 703 1HZ LYS 84 HZ1 LYS 84 -19.309 7.648 3.767 704 2HZ LYS 84 HZ2 LYS 84 -18.296 7.289 5.073 705 3HZ LYS 84 HZ3 LYS 84 -19.438 6.155 4.553 706 H TYR 85 HN TYR 85 -13.698 5.635 1.334 707 HA TYR 85 HA TYR 85 -13.699 8.305 0.143 708 1HB TYR 85 HB2 TYR 85 -11.967 6.910 2.145 709 2HB TYR 85 HB1 TYR 85 -11.296 8.256 1.225 710 HD1 TYR 85 HD1 TYR 85 -12.767 10.438 1.218 711 HD2 TYR 85 HD2 TYR 85 -13.069 7.351 4.131 712 HE1 TYR 85 HE1 TYR 85 -13.802 12.026 2.785 713 HE2 TYR 85 HE2 TYR 85 -14.105 8.931 5.706 714 HH TYR 85 HH TYR 85 -14.104 11.458 6.045 715 H GLY 86 HN GLY 86 -13.779 6.062 -1.594 716 1HA GLY 86 HA2 GLY 86 -12.726 6.049 -3.753 717 2HA GLY 86 HA1 GLY 86 -11.210 6.470 -2.969 718 H ARG 87 HN ARG 87 -11.398 4.544 -0.848 719 HA ARG 87 HA ARG 87 -10.273 2.514 -0.620 720 1HB ARG 87 HB2 ARG 87 -13.030 2.356 -0.764 721 2HB ARG 87 HB1 ARG 87 -12.501 1.063 -1.827 722 1HG ARG 87 HG2 ARG 87 -12.879 0.354 0.516 723 2HG ARG 87 HG1 ARG 87 -11.244 0.041 -0.068 724 1HD ARG 87 HD2 ARG 87 -10.306 1.508 1.371 725 2HD ARG 87 HD1 ARG 87 -11.645 2.648 1.242 726 HE ARG 87 HE ARG 87 -11.262 0.748 3.287 727 1HH1 ARG 87 HH11 ARG 87 -13.788 2.107 1.297 728 2HH1 ARG 87 HH12 ARG 87 -15.032 1.831 2.469 729 1HH2 ARG 87 HH21 ARG 87 -12.899 0.386 4.830 730 2HH2 ARG 87 HH22 ARG 87 -14.527 0.855 4.475 731 H TRP 88 HN TRP 88 -8.682 2.955 -2.288 732 HA TRP 88 HA TRP 88 -9.065 1.383 -4.748 733 1HB TRP 88 HB2 TRP 88 -7.167 3.641 -4.102 734 2HB TRP 88 HB1 TRP 88 -7.136 2.731 -5.603 735 HD1 TRP 88 HD1 TRP 88 -9.462 5.100 -3.632 736 HE1 TRP 88 HE1 TRP 88 -10.947 6.355 -5.318 737 HE3 TRP 88 HE3 TRP 88 -8.000 2.730 -7.926 738 HZ2 TRP 88 HZ2 TRP 88 -11.433 6.344 -8.099 739 HZ3 TRP 88 HZ3 TRP 88 -9.019 3.420 -10.054 740 HH2 TRP 88 HH2 TRP 88 -10.702 5.186 -10.139 741 H LEU 89 HN LEU 89 -7.118 0.287 -5.590 742 HA LEU 89 HA LEU 89 -5.810 -1.177 -3.457 743 1HB LEU 89 HB2 LEU 89 -5.109 -2.688 -5.082 744 2HB LEU 89 HB1 LEU 89 -6.651 -2.125 -5.688 745 HG LEU 89 HG LEU 89 -5.276 -2.200 -7.574 746 1HD1 LEU 89 HD11 LEU 89 -4.832 0.208 -8.144 747 2HD1 LEU 89 HD12 LEU 89 -5.350 0.611 -6.513 748 3HD1 LEU 89 HD13 LEU 89 -6.468 -0.165 -7.619 749 1HD2 LEU 89 HD21 LEU 89 -3.041 -1.878 -7.650 750 2HD2 LEU 89 HD22 LEU 89 -3.178 -2.186 -5.918 751 3HD2 LEU 89 HD23 LEU 89 -3.083 -0.529 -6.514 752 H ALA 90 HN ALA 90 -3.463 -1.335 -3.236 753 HA ALA 90 HA ALA 90 -1.641 0.230 -4.660 754 1HB ALA 90 HB1 ALA 90 -1.393 2.213 -3.521 755 2HB ALA 90 HB2 ALA 90 -2.157 1.593 -2.058 756 3HB ALA 90 HB3 ALA 90 -3.140 1.997 -3.462 757 H TYR 91 HN TYR 91 0.472 0.192 -3.836 758 HA TYR 91 HA TYR 91 0.869 -1.725 -1.634 759 1HB TYR 91 HB2 TYR 91 2.471 -1.181 -4.129 760 2HB TYR 91 HB1 TYR 91 3.167 -2.022 -2.749 761 HD1 TYR 91 HD1 TYR 91 2.980 -4.330 -2.626 762 HD2 TYR 91 HD2 TYR 91 0.219 -2.167 -5.034 763 HE1 TYR 91 HE1 TYR 91 2.037 -6.450 -3.439 764 HE2 TYR 91 HE2 TYR 91 -0.734 -4.282 -5.852 765 HH TYR 91 HH TYR 91 -0.885 -6.680 -5.011 766 H ILE 92 HN ILE 92 1.836 1.329 -3.041 767 HA ILE 92 HA ILE 92 2.997 3.116 -2.257 768 HB ILE 92 HB ILE 92 2.229 2.107 0.477 769 1HG1 ILE 92 HG12 ILE 92 0.265 3.762 0.055 770 2HG1 ILE 92 HG11 ILE 92 0.633 3.505 -1.648 771 1HG2 ILE 92 HG21 ILE 92 2.350 4.976 -0.295 772 2HG2 ILE 92 HG22 ILE 92 3.859 4.114 0.008 773 3HG2 ILE 92 HG23 ILE 92 2.632 4.215 1.271 774 1HD1 ILE 92 HD11 ILE 92 0.352 1.072 -0.022 775 2HD1 ILE 92 HD12 ILE 92 -0.220 1.431 -1.651 776 3HD1 ILE 92 HD13 ILE 92 -1.112 2.027 -0.251 777 H TYR 93 HN TYR 93 5.133 3.092 -2.536 778 HA TYR 93 HA TYR 93 6.750 1.705 -0.507 779 1HB TYR 93 HB2 TYR 93 8.485 1.400 -2.350 780 2HB TYR 93 HB1 TYR 93 7.084 0.342 -2.394 781 HD1 TYR 93 HD1 TYR 93 5.925 0.092 -4.367 782 HD2 TYR 93 HD2 TYR 93 8.350 3.547 -3.821 783 HE1 TYR 93 HE1 TYR 93 5.522 0.742 -6.708 784 HE2 TYR 93 HE2 TYR 93 7.953 4.204 -6.153 785 HH TYR 93 HH TYR 93 5.783 3.521 -7.919 786 H ALA 94 HN ALA 94 8.418 2.816 0.340 787 HA ALA 94 HA ALA 94 8.768 5.579 -0.603 788 1HB ALA 94 HB1 ALA 94 8.301 4.539 1.964 789 2HB ALA 94 HB2 ALA 94 8.673 6.207 1.530 790 3HB ALA 94 HB3 ALA 94 9.974 5.098 1.960 791 H ASP 95 HN ASP 95 10.610 6.094 -1.576 792 HA ASP 95 HA ASP 95 12.816 6.135 -2.162 793 1HB ASP 95 HB2 ASP 95 13.091 5.636 0.388 794 2HB ASP 95 HB1 ASP 95 13.483 4.007 -0.156 795 H GLY 96 HN GLY 96 10.786 4.214 -3.169 796 1HA GLY 96 HA2 GLY 96 10.804 2.687 -4.900 797 2HA GLY 96 HA1 GLY 96 12.558 2.686 -4.829 798 H LYS 97 HN LYS 97 10.813 2.036 -1.913 799 HA LYS 97 HA LYS 97 11.139 -0.853 -2.291 800 1HB LYS 97 HB2 LYS 97 11.963 -0.882 0.162 801 2HB LYS 97 HB1 LYS 97 13.101 -0.450 -1.107 802 1HG LYS 97 HG2 LYS 97 12.577 1.960 -0.598 803 2HG LYS 97 HG1 LYS 97 11.710 1.380 0.826 804 1HD LYS 97 HD2 LYS 97 13.845 0.176 1.466 805 2HD LYS 97 HD1 LYS 97 14.640 1.106 0.194 806 1HE LYS 97 HE2 LYS 97 14.985 2.647 1.778 807 2HE LYS 97 HE1 LYS 97 13.278 3.039 1.575 808 1HZ LYS 97 HZ1 LYS 97 14.618 1.675 3.755 809 2HZ LYS 97 HZ2 LYS 97 13.130 1.012 3.298 810 3HZ LYS 97 HZ3 LYS 97 13.223 2.633 3.770 811 H MET 98 HN MET 98 9.202 -1.716 -2.004 812 HA MET 98 HA MET 98 7.032 -0.459 -0.746 813 1HB MET 98 HB2 MET 98 7.607 -3.155 -1.823 814 2HB MET 98 HB1 MET 98 6.311 -3.066 -0.639 815 1HG MET 98 HG2 MET 98 5.075 -1.555 -1.986 816 2HG MET 98 HG1 MET 98 6.437 -1.320 -3.079 817 1HE MET 98 HE1 MET 98 6.747 -2.436 -5.143 818 2HE MET 98 HE2 MET 98 5.070 -1.927 -5.346 819 3HE MET 98 HE3 MET 98 5.568 -3.543 -5.847 820 H VAL 99 HN VAL 99 6.181 -0.558 1.280 821 HA VAL 99 HA VAL 99 7.820 -0.925 3.478 822 HB VAL 99 HB VAL 99 4.830 -1.300 3.564 823 1HG1 VAL 99 HG11 VAL 99 5.792 0.241 5.711 824 2HG1 VAL 99 HG12 VAL 99 6.890 -1.129 5.546 825 3HG1 VAL 99 HG13 VAL 99 5.161 -1.405 5.756 826 1HG2 VAL 99 HG21 VAL 99 6.411 1.059 2.850 827 2HG2 VAL 99 HG22 VAL 99 5.245 1.335 4.144 828 3HG2 VAL 99 HG23 VAL 99 4.700 0.715 2.585 829 H ASN 100 HN ASN 100 5.300 -3.142 2.281 830 HA ASN 100 HA ASN 100 5.845 -5.204 4.124 831 1HB ASN 100 HB2 ASN 100 4.538 -6.638 2.604 832 2HB ASN 100 HB1 ASN 100 3.738 -5.094 2.885 833 1HD2 ASN 100 HD21 ASN 100 3.324 -3.779 1.205 834 2HD2 ASN 100 HD22 ASN 100 3.734 -4.132 -0.436 835 H GLU 101 HN GLU 101 7.347 -4.254 1.149 836 HA GLU 101 HA GLU 101 8.593 -6.638 0.402 837 1HB GLU 101 HB2 GLU 101 8.631 -3.956 -0.444 838 2HB GLU 101 HB1 GLU 101 10.305 -4.353 -0.073 839 1HG GLU 101 HG2 GLU 101 8.738 -6.276 -1.702 840 2HG GLU 101 HG1 GLU 101 9.265 -4.772 -2.456 841 H ALA 102 HN ALA 102 9.370 -4.327 2.899 842 HA ALA 102 HA ALA 102 11.958 -5.559 3.418 843 1HB ALA 102 HB1 ALA 102 11.911 -3.805 5.332 844 2HB ALA 102 HB2 ALA 102 10.553 -3.127 4.435 845 3HB ALA 102 HB3 ALA 102 12.134 -3.270 3.667 846 H LEU 103 HN LEU 103 8.860 -5.068 5.089 847 HA LEU 103 HA LEU 103 9.382 -6.252 7.511 848 1HB LEU 103 HB2 LEU 103 7.027 -5.713 5.894 849 2HB LEU 103 HB1 LEU 103 6.831 -7.147 6.882 850 HG LEU 103 HG LEU 103 7.129 -5.918 8.897 851 1HD1 LEU 103 HD11 LEU 103 8.385 -3.945 7.109 852 2HD1 LEU 103 HD12 LEU 103 8.769 -4.380 8.775 853 3HD1 LEU 103 HD13 LEU 103 7.430 -3.284 8.436 854 1HD2 LEU 103 HD21 LEU 103 5.558 -3.804 7.692 855 2HD2 LEU 103 HD22 LEU 103 5.080 -5.046 8.848 856 3HD2 LEU 103 HD23 LEU 103 5.067 -5.398 7.121 857 H VAL 104 HN VAL 104 8.614 -7.818 4.463 858 HA VAL 104 HA VAL 104 8.450 -10.455 5.543 859 HB VAL 104 HB VAL 104 8.916 -9.682 2.664 860 1HG1 VAL 104 HG11 VAL 104 9.185 -11.924 2.568 861 2HG1 VAL 104 HG12 VAL 104 7.421 -11.912 2.590 862 3HG1 VAL 104 HG13 VAL 104 8.320 -12.202 4.080 863 1HG2 VAL 104 HG21 VAL 104 6.779 -8.885 4.176 864 2HG2 VAL 104 HG22 VAL 104 6.197 -10.393 3.470 865 3HG2 VAL 104 HG23 VAL 104 6.768 -9.092 2.426 866 H ARG 105 HN ARG 105 11.070 -8.482 5.200 867 HA ARG 105 HA ARG 105 13.096 -9.779 3.965 868 1HB ARG 105 HB2 ARG 105 14.618 -8.779 5.597 869 2HB ARG 105 HB1 ARG 105 13.355 -7.647 5.138 870 1HG ARG 105 HG2 ARG 105 12.202 -8.706 7.293 871 2HG ARG 105 HG1 ARG 105 13.894 -8.939 7.735 872 1HD ARG 105 HD2 ARG 105 13.950 -6.387 6.834 873 2HD ARG 105 HD1 ARG 105 12.314 -6.468 7.485 874 HE ARG 105 HE ARG 105 13.184 -6.649 9.612 875 1HH1 ARG 105 HH11 ARG 105 15.755 -6.932 7.264 876 2HH1 ARG 105 HH12 ARG 105 17.013 -6.779 8.442 877 1HH2 ARG 105 HH21 ARG 105 14.839 -6.448 11.158 878 2HH2 ARG 105 HH22 ARG 105 16.494 -6.504 10.653 879 H GLN 106 HN GLN 106 11.838 -10.564 7.191 880 HA GLN 106 HA GLN 106 13.326 -13.105 7.053 881 1HB GLN 106 HB2 GLN 106 13.110 -13.005 9.634 882 2HB GLN 106 HB1 GLN 106 14.344 -12.033 8.846 883 1HG GLN 106 HG2 GLN 106 13.012 -10.931 10.694 884 2HG GLN 106 HG1 GLN 106 13.156 -10.046 9.179 885 1HE2 GLN 106 HE21 GLN 106 11.356 -8.938 8.929 886 2HE2 GLN 106 HE22 GLN 106 9.749 -9.559 9.065 887 H GLY 107 HN GLY 107 10.322 -11.832 6.785 888 1HA GLY 107 HA2 GLY 107 8.483 -13.404 6.468 889 2HA GLY 107 HA1 GLY 107 9.076 -14.280 7.875 890 H LEU 108 HN LEU 108 8.944 -10.817 7.684 891 HA LEU 108 HA LEU 108 7.717 -9.232 8.707 892 1HB LEU 108 HB2 LEU 108 5.827 -11.387 8.430 893 2HB LEU 108 HB1 LEU 108 5.542 -10.492 9.914 894 HG LEU 108 HG LEU 108 5.702 -9.318 7.146 895 1HD1 LEU 108 HD11 LEU 108 3.307 -8.813 7.524 896 2HD1 LEU 108 HD12 LEU 108 3.374 -9.757 9.013 897 3HD1 LEU 108 HD13 LEU 108 3.649 -10.541 7.457 898 1HD2 LEU 108 HD21 LEU 108 6.571 -7.737 8.710 899 2HD2 LEU 108 HD22 LEU 108 5.238 -8.031 9.827 900 3HD2 LEU 108 HD23 LEU 108 4.934 -7.240 8.281 901 H ALA 109 HN ALA 109 8.672 -8.438 10.362 902 HA ALA 109 HA ALA 109 9.459 -9.987 12.634 903 1HB ALA 109 HB1 ALA 109 9.680 -7.148 13.039 904 2HB ALA 109 HB2 ALA 109 10.234 -7.585 11.420 905 3HB ALA 109 HB3 ALA 109 10.953 -8.354 12.837 906 H LYS 110 HN LYS 110 8.614 -10.002 14.670 907 HA LYS 110 HA LYS 110 5.980 -8.746 14.986 908 1HB LYS 110 HB2 LYS 110 7.253 -11.023 16.516 909 2HB LYS 110 HB1 LYS 110 5.644 -10.380 16.813 910 1HG LYS 110 HG2 LYS 110 4.747 -11.510 15.107 911 2HG LYS 110 HG1 LYS 110 6.104 -11.163 14.036 912 1HD LYS 110 HD2 LYS 110 7.319 -13.002 14.772 913 2HD LYS 110 HD1 LYS 110 6.406 -13.124 16.278 914 1HE LYS 110 HE2 LYS 110 4.797 -13.446 13.848 915 2HE LYS 110 HE1 LYS 110 6.021 -14.693 14.084 916 1HZ LYS 110 HZ1 LYS 110 3.920 -15.300 15.110 917 2HZ LYS 110 HZ2 LYS 110 3.957 -13.907 16.069 918 3HZ LYS 110 HZ3 LYS 110 5.124 -15.111 16.285 Start of MODEL 9 1 1H ALA 1 HT1 ALA 1 -3.746 -14.680 -16.804 2 2H ALA 1 HT2 ALA 1 -4.834 -15.129 -18.052 3 3H ALA 1 HT3 ALA 1 -4.017 -16.336 -17.147 4 HA ALA 1 HA ALA 1 -6.361 -15.990 -16.564 5 1HB ALA 1 HB1 ALA 1 -5.933 -16.636 -14.436 6 2HB ALA 1 HB2 ALA 1 -4.794 -15.320 -14.148 7 3HB ALA 1 HB3 ALA 1 -4.286 -16.742 -15.058 8 H THR 2 HN THR 2 -4.251 -13.440 -15.225 9 HA THR 2 HA THR 2 -6.545 -11.599 -15.391 10 HB THR 2 HB THR 2 -5.649 -10.474 -13.360 11 HG1 THR 2 HG1 THR 2 -3.882 -12.685 -13.378 12 1HG2 THR 2 HG21 THR 2 -6.491 -13.335 -13.185 13 2HG2 THR 2 HG22 THR 2 -7.402 -11.875 -12.797 14 3HG2 THR 2 HG23 THR 2 -6.098 -12.409 -11.736 15 H SER 3 HN SER 3 -6.182 -10.018 -16.785 16 HA SER 3 HA SER 3 -3.547 -9.456 -17.774 17 1HB SER 3 HB2 SER 3 -6.316 -8.597 -18.425 18 2HB SER 3 HB1 SER 3 -5.016 -7.489 -18.868 19 HG SER 3 HG SER 3 -5.793 -9.577 -20.205 20 H THR 4 HN THR 4 -2.161 -7.959 -17.089 21 HA THR 4 HA THR 4 -2.988 -6.173 -14.938 22 HB THR 4 HB THR 4 -0.979 -7.377 -14.481 23 HG1 THR 4 HG1 THR 4 0.161 -5.705 -13.860 24 1HG2 THR 4 HG21 THR 4 0.269 -8.121 -16.151 25 2HG2 THR 4 HG22 THR 4 0.970 -6.506 -16.228 26 3HG2 THR 4 HG23 THR 4 -0.387 -6.929 -17.271 27 H LYS 5 HN LYS 5 -2.945 -3.969 -15.044 28 HA LYS 5 HA LYS 5 -2.677 -2.828 -17.733 29 1HB LYS 5 HB2 LYS 5 -4.650 -2.547 -15.788 30 2HB LYS 5 HB1 LYS 5 -3.751 -1.039 -15.705 31 1HG LYS 5 HG2 LYS 5 -4.278 -0.455 -17.887 32 2HG LYS 5 HG1 LYS 5 -4.675 -2.114 -18.338 33 1HD LYS 5 HD2 LYS 5 -6.586 -1.920 -16.644 34 2HD LYS 5 HD1 LYS 5 -6.280 -0.182 -16.689 35 1HE LYS 5 HE2 LYS 5 -7.742 -0.191 -18.392 36 2HE LYS 5 HE1 LYS 5 -6.372 -0.773 -19.339 37 1HZ LYS 5 HZ1 LYS 5 -8.049 -2.280 -19.807 38 2HZ LYS 5 HZ2 LYS 5 -8.627 -2.310 -18.218 39 3HZ LYS 5 HZ3 LYS 5 -7.170 -3.077 -18.601 40 H LYS 6 HN LYS 6 -1.299 -1.168 -18.182 41 HA LYS 6 HA LYS 6 0.800 -0.680 -16.226 42 1HB LYS 6 HB2 LYS 6 0.934 -1.130 -18.880 43 2HB LYS 6 HB1 LYS 6 0.895 0.628 -18.884 44 1HG LYS 6 HG2 LYS 6 2.803 -0.796 -17.089 45 2HG LYS 6 HG1 LYS 6 3.166 -0.636 -18.808 46 1HD LYS 6 HD2 LYS 6 3.967 1.396 -18.370 47 2HD LYS 6 HD1 LYS 6 2.319 1.902 -17.995 48 1HE LYS 6 HE2 LYS 6 3.282 2.449 -16.016 49 2HE LYS 6 HE1 LYS 6 2.940 0.756 -15.667 50 1HZ LYS 6 HZ1 LYS 6 5.237 0.270 -16.485 51 2HZ LYS 6 HZ2 LYS 6 5.172 1.165 -15.052 52 3HZ LYS 6 HZ3 LYS 6 5.523 1.938 -16.515 53 H LEU 7 HN LEU 7 0.441 0.900 -14.808 54 HA LEU 7 HA LEU 7 -0.808 3.388 -15.775 55 1HB LEU 7 HB2 LEU 7 -0.921 2.011 -13.108 56 2HB LEU 7 HB1 LEU 7 -1.267 3.723 -13.257 57 HG LEU 7 HG LEU 7 -3.289 2.261 -13.241 58 1HD1 LEU 7 HD11 LEU 7 -2.949 3.752 -15.833 59 2HD1 LEU 7 HD12 LEU 7 -3.205 4.538 -14.275 60 3HD1 LEU 7 HD13 LEU 7 -4.440 3.468 -14.937 61 1HD2 LEU 7 HD21 LEU 7 -2.558 1.476 -16.039 62 2HD2 LEU 7 HD22 LEU 7 -3.793 0.798 -14.979 63 3HD2 LEU 7 HD23 LEU 7 -2.088 0.482 -14.660 64 H HIS 8 HN HIS 8 -0.044 5.381 -14.833 65 HA HIS 8 HA HIS 8 2.805 5.483 -14.716 66 1HB HIS 8 HB2 HIS 8 0.688 7.316 -15.160 67 2HB HIS 8 HB1 HIS 8 1.621 7.930 -13.800 68 HD1 HIS 8 HD1 HIS 8 1.482 8.214 -17.307 69 HD2 HIS 8 HD2 HIS 8 4.586 7.793 -14.577 70 HE1 HIS 8 HE1 HIS 8 3.541 9.028 -18.500 71 HE2 HIS 8 HE2 HIS 8 5.421 8.678 -16.860 72 H LYS 9 HN LYS 9 3.378 7.399 -12.835 73 HA LYS 9 HA LYS 9 2.565 6.238 -10.266 74 1HB LYS 9 HB2 LYS 9 4.719 5.226 -10.921 75 2HB LYS 9 HB1 LYS 9 5.424 6.831 -11.053 76 1HG LYS 9 HG2 LYS 9 5.704 7.030 -8.840 77 2HG LYS 9 HG1 LYS 9 4.156 6.267 -8.472 78 1HD LYS 9 HD2 LYS 9 6.118 4.426 -9.609 79 2HD LYS 9 HD1 LYS 9 6.632 5.142 -8.081 80 1HE LYS 9 HE2 LYS 9 4.735 4.315 -6.944 81 2HE LYS 9 HE1 LYS 9 3.916 3.906 -8.450 82 1HZ LYS 9 HZ1 LYS 9 6.482 2.614 -7.964 83 2HZ LYS 9 HZ2 LYS 9 5.074 1.994 -8.667 84 3HZ LYS 9 HZ3 LYS 9 5.193 2.121 -6.985 85 H GLU 10 HN GLU 10 2.007 7.737 -8.825 86 HA GLU 10 HA GLU 10 2.989 10.487 -9.220 87 1HB GLU 10 HB2 GLU 10 0.251 9.624 -8.271 88 2HB GLU 10 HB1 GLU 10 0.817 11.286 -8.358 89 1HG GLU 10 HG2 GLU 10 0.844 9.576 -10.802 90 2HG GLU 10 HG1 GLU 10 -0.659 10.315 -10.256 91 HA PRO 11 HA PRO 11 4.147 10.275 -4.953 92 1HB PRO 11 HB2 PRO 11 4.560 12.858 -4.429 93 2HB PRO 11 HB1 PRO 11 5.567 11.989 -5.593 94 1HG PRO 11 HG2 PRO 11 3.356 13.926 -6.074 95 2HG PRO 11 HG1 PRO 11 4.850 13.675 -6.991 96 1HD PRO 11 HD2 PRO 11 2.315 12.669 -7.648 97 2HD PRO 11 HD1 PRO 11 3.859 12.141 -8.341 98 H ALA 12 HN ALA 12 3.471 10.721 -2.813 99 HA ALA 12 HA ALA 12 1.217 12.376 -2.240 100 1HB ALA 12 HB1 ALA 12 0.728 9.635 -3.009 101 2HB ALA 12 HB2 ALA 12 -0.418 10.943 -2.713 102 3HB ALA 12 HB3 ALA 12 0.159 9.954 -1.371 103 H THR 13 HN THR 13 0.660 12.371 0.038 104 HA THR 13 HA THR 13 2.868 11.342 1.690 105 HB THR 13 HB THR 13 1.731 13.160 3.306 106 HG1 THR 13 HG1 THR 13 1.340 14.215 0.706 107 1HG2 THR 13 HG21 THR 13 3.854 13.784 3.098 108 2HG2 THR 13 HG22 THR 13 3.276 14.841 1.811 109 3HG2 THR 13 HG23 THR 13 3.942 13.255 1.418 110 H LEU 14 HN LEU 14 2.294 9.506 2.624 111 HA LEU 14 HA LEU 14 -0.407 8.845 3.275 112 1HB LEU 14 HB2 LEU 14 1.058 7.105 2.539 113 2HB LEU 14 HB1 LEU 14 2.213 7.487 3.796 114 HG LEU 14 HG LEU 14 -0.485 6.715 4.723 115 1HD1 LEU 14 HD11 LEU 14 -0.383 5.084 3.045 116 2HD1 LEU 14 HD12 LEU 14 0.212 4.277 4.495 117 3HD1 LEU 14 HD13 LEU 14 1.349 4.838 3.268 118 1HD2 LEU 14 HD21 LEU 14 0.768 5.603 6.447 119 2HD2 LEU 14 HD22 LEU 14 1.416 7.229 6.228 120 3HD2 LEU 14 HD23 LEU 14 2.273 5.840 5.561 121 H ILE 15 HN ILE 15 -1.448 9.418 5.060 122 HA ILE 15 HA ILE 15 -0.081 10.725 7.204 123 HB ILE 15 HB ILE 15 -2.266 10.916 8.272 124 1HG1 ILE 15 HG12 ILE 15 -4.226 10.073 6.708 125 2HG1 ILE 15 HG11 ILE 15 -3.023 8.896 6.199 126 1HG2 ILE 15 HG21 ILE 15 -1.955 12.664 6.812 127 2HG2 ILE 15 HG22 ILE 15 -3.471 11.985 6.222 128 3HG2 ILE 15 HG23 ILE 15 -1.959 11.620 5.391 129 1HD1 ILE 15 HD11 ILE 15 -3.016 8.999 9.035 130 2HD1 ILE 15 HD12 ILE 15 -3.478 7.666 7.978 131 3HD1 ILE 15 HD13 ILE 15 -4.684 8.849 8.483 132 H LYS 16 HN LYS 16 -1.728 7.593 6.831 133 HA LYS 16 HA LYS 16 -0.026 6.233 8.592 134 1HB LYS 16 HB2 LYS 16 -1.025 7.631 10.335 135 2HB LYS 16 HB1 LYS 16 -2.632 7.111 9.853 136 1HG LYS 16 HG2 LYS 16 -2.288 4.934 10.665 137 2HG LYS 16 HG1 LYS 16 -0.546 5.175 10.803 138 1HD LYS 16 HD2 LYS 16 -1.509 7.169 12.394 139 2HD LYS 16 HD1 LYS 16 -2.706 5.898 12.651 140 1HE LYS 16 HE2 LYS 16 0.068 4.962 12.697 141 2HE LYS 16 HE1 LYS 16 -0.322 6.118 13.971 142 1HZ LYS 16 HZ1 LYS 16 -0.951 4.202 14.980 143 2HZ LYS 16 HZ2 LYS 16 -1.346 3.415 13.536 144 3HZ LYS 16 HZ3 LYS 16 -2.409 4.553 14.197 145 H ALA 17 HN ALA 17 -0.831 4.049 9.152 146 HA ALA 17 HA ALA 17 -2.534 3.048 7.006 147 1HB ALA 17 HB1 ALA 17 -1.468 1.047 8.828 148 2HB ALA 17 HB2 ALA 17 -0.215 2.083 8.147 149 3HB ALA 17 HB3 ALA 17 -1.297 1.191 7.079 150 H ILE 18 HN ILE 18 -4.397 1.842 7.357 151 HA ILE 18 HA ILE 18 -5.677 2.341 9.936 152 HB ILE 18 HB ILE 18 -6.853 1.463 7.296 153 1HG1 ILE 18 HG12 ILE 18 -7.181 4.079 8.770 154 2HG1 ILE 18 HG11 ILE 18 -6.007 3.828 7.483 155 1HG2 ILE 18 HG21 ILE 18 -8.363 0.558 8.772 156 2HG2 ILE 18 HG22 ILE 18 -9.012 2.189 8.597 157 3HG2 ILE 18 HG23 ILE 18 -8.045 1.771 10.011 158 1HD1 ILE 18 HD11 ILE 18 -7.875 3.262 5.962 159 2HD1 ILE 18 HD12 ILE 18 -7.938 4.910 6.584 160 3HD1 ILE 18 HD13 ILE 18 -9.000 3.674 7.256 161 H ASP 19 HN ASP 19 -6.105 -0.337 7.624 162 HA ASP 19 HA ASP 19 -5.832 -2.192 9.899 163 1HB ASP 19 HB2 ASP 19 -7.673 -2.270 7.515 164 2HB ASP 19 HB1 ASP 19 -7.346 -3.700 8.489 165 H GLY 20 HN GLY 20 -3.567 -1.430 8.465 166 1HA GLY 20 HA2 GLY 20 -1.697 -2.626 7.755 167 2HA GLY 20 HA1 GLY 20 -2.725 -4.023 7.480 168 H ASP 21 HN ASP 21 -4.530 -3.257 5.673 169 HA ASP 21 HA ASP 21 -2.874 -2.680 3.340 170 1HB ASP 21 HB2 ASP 21 -5.607 -3.918 3.656 171 2HB ASP 21 HB1 ASP 21 -4.947 -3.470 2.086 172 H THR 22 HN THR 22 -5.736 -1.548 5.043 173 HA THR 22 HA THR 22 -6.343 0.500 3.126 174 HB THR 22 HB THR 22 -7.682 1.285 5.339 175 HG1 THR 22 HG1 THR 22 -8.182 -0.458 6.585 176 1HG2 THR 22 HG21 THR 22 -9.587 0.241 4.516 177 2HG2 THR 22 HG22 THR 22 -8.673 -1.112 3.850 178 3HG2 THR 22 HG23 THR 22 -8.576 0.477 3.090 179 H VAL 23 HN VAL 23 -4.904 2.107 2.852 180 HA VAL 23 HA VAL 23 -3.950 3.497 5.269 181 HB VAL 23 HB VAL 23 -1.844 4.023 4.080 182 1HG1 VAL 23 HG11 VAL 23 -1.310 2.331 5.461 183 2HG1 VAL 23 HG12 VAL 23 -1.187 1.397 3.970 184 3HG1 VAL 23 HG13 VAL 23 -2.664 1.333 4.932 185 1HG2 VAL 23 HG21 VAL 23 -1.287 3.199 2.002 186 2HG2 VAL 23 HG22 VAL 23 -3.012 3.506 1.797 187 3HG2 VAL 23 HG23 VAL 23 -2.438 1.867 2.102 188 H LYS 24 HN LYS 24 -3.606 5.755 5.060 189 HA LYS 24 HA LYS 24 -5.080 6.950 2.801 190 1HB LYS 24 HB2 LYS 24 -6.325 7.491 4.692 191 2HB LYS 24 HB1 LYS 24 -4.903 7.660 5.708 192 1HG LYS 24 HG2 LYS 24 -5.684 9.836 5.452 193 2HG LYS 24 HG1 LYS 24 -4.360 9.729 4.289 194 1HD LYS 24 HD2 LYS 24 -5.963 10.686 2.967 195 2HD LYS 24 HD1 LYS 24 -6.322 8.983 2.676 196 1HE LYS 24 HE2 LYS 24 -8.398 9.352 3.374 197 2HE LYS 24 HE1 LYS 24 -7.757 9.695 4.980 198 1HZ LYS 24 HZ1 LYS 24 -7.424 12.032 4.179 199 2HZ LYS 24 HZ2 LYS 24 -9.038 11.551 4.344 200 3HZ LYS 24 HZ3 LYS 24 -8.331 11.627 2.809 201 H LEU 25 HN LEU 25 -4.070 8.395 1.539 202 HA LEU 25 HA LEU 25 -1.713 9.768 2.510 203 1HB LEU 25 HB2 LEU 25 -0.339 9.254 0.584 204 2HB LEU 25 HB1 LEU 25 -0.791 7.799 1.423 205 HG LEU 25 HG LEU 25 -2.347 7.207 -0.306 206 1HD1 LEU 25 HD11 LEU 25 -1.780 9.946 -1.306 207 2HD1 LEU 25 HD12 LEU 25 -3.295 9.049 -1.276 208 3HD1 LEU 25 HD13 LEU 25 -2.072 8.669 -2.486 209 1HD2 LEU 25 HD21 LEU 25 0.206 6.843 -0.457 210 2HD2 LEU 25 HD22 LEU 25 0.112 8.005 -1.782 211 3HD2 LEU 25 HD23 LEU 25 -0.811 6.502 -1.857 212 H MET 26 HN MET 26 -1.189 11.685 1.475 213 HA MET 26 HA MET 26 -3.459 13.075 0.380 214 1HB MET 26 HB2 MET 26 -1.434 13.973 1.802 215 2HB MET 26 HB1 MET 26 -0.656 14.143 0.234 216 1HG MET 26 HG2 MET 26 -1.819 15.967 -0.264 217 2HG MET 26 HG1 MET 26 -3.339 15.241 0.254 218 1HE MET 26 HE1 MET 26 -3.090 18.714 1.917 219 2HE MET 26 HE2 MET 26 -2.931 18.010 0.308 220 3HE MET 26 HE3 MET 26 -1.496 18.550 1.180 221 H TYR 27 HN TYR 27 -4.064 12.316 -1.571 222 HA TYR 27 HA TYR 27 -2.112 11.777 -3.647 223 1HB TYR 27 HB2 TYR 27 -3.880 10.189 -3.433 224 2HB TYR 27 HB1 TYR 27 -5.102 11.451 -3.468 225 HD1 TYR 27 HD1 TYR 27 -6.382 11.327 -5.359 226 HD2 TYR 27 HD2 TYR 27 -2.212 10.558 -5.669 227 HE1 TYR 27 HE1 TYR 27 -6.628 11.037 -7.780 228 HE2 TYR 27 HE2 TYR 27 -2.438 10.259 -8.096 229 HH TYR 27 HH TYR 27 -5.604 10.359 -9.679 230 H LYS 28 HN LYS 28 -1.324 13.388 -4.756 231 HA LYS 28 HA LYS 28 -1.098 15.476 -5.675 232 1HB LYS 28 HB2 LYS 28 -3.119 13.904 -7.074 233 2HB LYS 28 HB1 LYS 28 -3.259 15.628 -7.387 234 1HG LYS 28 HG2 LYS 28 -0.592 15.281 -7.675 235 2HG LYS 28 HG1 LYS 28 -1.197 13.715 -8.222 236 1HD LYS 28 HD2 LYS 28 -2.628 16.083 -9.247 237 2HD LYS 28 HD1 LYS 28 -0.971 15.876 -9.818 238 1HE LYS 28 HE2 LYS 28 -2.308 14.743 -11.383 239 2HE LYS 28 HE1 LYS 28 -1.621 13.481 -10.361 240 1HZ LYS 28 HZ1 LYS 28 -3.750 12.812 -10.268 241 2HZ LYS 28 HZ2 LYS 28 -4.379 14.335 -10.649 242 3HZ LYS 28 HZ3 LYS 28 -3.888 13.994 -9.066 243 H GLY 29 HN GLY 29 -2.392 15.726 -3.179 244 1HA GLY 29 HA2 GLY 29 -3.098 17.795 -2.224 245 2HA GLY 29 HA1 GLY 29 -3.935 18.166 -3.722 246 H GLN 30 HN GLN 30 -4.900 15.177 -3.473 247 HA GLN 30 HA GLN 30 -7.070 15.784 -1.575 248 1HB GLN 30 HB2 GLN 30 -8.568 14.463 -3.030 249 2HB GLN 30 HB1 GLN 30 -7.910 15.866 -3.856 250 1HG GLN 30 HG2 GLN 30 -6.463 13.303 -4.166 251 2HG GLN 30 HG1 GLN 30 -8.021 13.464 -4.968 252 1HE2 GLN 30 HE21 GLN 30 -5.125 13.367 -5.841 253 2HE2 GLN 30 HE22 GLN 30 -4.958 14.692 -6.920 254 HA PRO 31 HA PRO 31 -5.054 12.089 0.200 255 1HB PRO 31 HB2 PRO 31 -6.801 12.847 2.466 256 2HB PRO 31 HB1 PRO 31 -5.066 12.518 2.444 257 1HG PRO 31 HG2 PRO 31 -5.983 15.009 2.703 258 2HG PRO 31 HG1 PRO 31 -4.534 14.663 1.740 259 1HD PRO 31 HD2 PRO 31 -7.328 15.194 0.825 260 2HD PRO 31 HD1 PRO 31 -5.803 15.785 0.148 261 H MET 32 HN MET 32 -5.766 10.138 -0.158 262 HA MET 32 HA MET 32 -8.607 9.483 0.260 263 1HB MET 32 HB2 MET 32 -6.963 8.407 -2.034 264 2HB MET 32 HB1 MET 32 -8.693 8.244 -1.783 265 1HG MET 32 HG2 MET 32 -7.839 11.018 -1.931 266 2HG MET 32 HG1 MET 32 -7.438 10.098 -3.378 267 1HE MET 32 HE1 MET 32 -8.891 12.463 -3.434 268 2HE MET 32 HE2 MET 32 -10.655 12.482 -3.398 269 3HE MET 32 HE3 MET 32 -9.808 11.898 -4.832 270 H THR 33 HN THR 33 -8.930 7.096 0.528 271 HA THR 33 HA THR 33 -6.677 5.959 2.008 272 HB THR 33 HB THR 33 -9.577 5.142 1.801 273 HG1 THR 33 HG1 THR 33 -9.809 6.279 3.536 274 1HG2 THR 33 HG21 THR 33 -7.346 3.846 3.333 275 2HG2 THR 33 HG22 THR 33 -8.442 3.104 2.167 276 3HG2 THR 33 HG23 THR 33 -9.051 3.636 3.735 277 H PHE 34 HN PHE 34 -6.049 3.674 1.589 278 HA PHE 34 HA PHE 34 -6.792 2.673 -1.027 279 1HB PHE 34 HB2 PHE 34 -3.888 2.923 -0.293 280 2HB PHE 34 HB1 PHE 34 -4.579 2.465 -1.847 281 HD1 PHE 34 HD1 PHE 34 -5.165 4.092 -3.452 282 HD2 PHE 34 HD2 PHE 34 -4.157 5.262 0.515 283 HE1 PHE 34 HE1 PHE 34 -5.083 6.451 -4.163 284 HE2 PHE 34 HE2 PHE 34 -4.088 7.604 -0.192 285 HZ PHE 34 HZ PHE 34 -4.533 8.206 -2.513 286 H ARG 35 HN ARG 35 -6.868 0.495 -1.167 287 HA ARG 35 HA ARG 35 -5.557 -1.088 0.908 288 1HB ARG 35 HB2 ARG 35 -7.713 -0.854 1.843 289 2HB ARG 35 HB1 ARG 35 -8.491 -1.061 0.285 290 1HG ARG 35 HG2 ARG 35 -7.645 -3.435 0.301 291 2HG ARG 35 HG1 ARG 35 -7.166 -3.162 1.977 292 1HD ARG 35 HD2 ARG 35 -9.909 -2.344 1.403 293 2HD ARG 35 HD1 ARG 35 -9.619 -4.061 1.127 294 HE ARG 35 HE ARG 35 -8.512 -3.391 3.597 295 1HH1 ARG 35 HH11 ARG 35 -11.655 -3.584 2.092 296 2HH1 ARG 35 HH12 ARG 35 -12.480 -3.938 3.573 297 1HH2 ARG 35 HH21 ARG 35 -9.596 -3.858 5.545 298 2HH2 ARG 35 HH22 ARG 35 -11.312 -4.094 5.533 299 H LEU 36 HN LEU 36 -4.320 -2.503 -0.109 300 HA LEU 36 HA LEU 36 -5.107 -4.557 -1.721 301 1HB LEU 36 HB2 LEU 36 -5.853 -3.071 -3.437 302 2HB LEU 36 HB1 LEU 36 -4.375 -2.134 -3.361 303 HG LEU 36 HG LEU 36 -3.186 -4.257 -4.171 304 1HD1 LEU 36 HD11 LEU 36 -5.546 -5.470 -3.724 305 2HD1 LEU 36 HD12 LEU 36 -4.344 -6.055 -4.874 306 3HD1 LEU 36 HD13 LEU 36 -5.709 -5.092 -5.438 307 1HD2 LEU 36 HD21 LEU 36 -5.040 -3.331 -6.287 308 2HD2 LEU 36 HD22 LEU 36 -3.282 -3.460 -6.295 309 3HD2 LEU 36 HD23 LEU 36 -4.064 -2.108 -5.475 310 H LEU 37 HN LEU 37 -2.532 -2.138 -2.186 311 HA LEU 37 HA LEU 37 -0.276 -2.253 -2.018 312 1HB LEU 37 HB2 LEU 37 -1.118 -4.379 -0.098 313 2HB LEU 37 HB1 LEU 37 0.579 -4.214 -0.504 314 HG LEU 37 HG LEU 37 -0.002 -1.647 0.086 315 1HD1 LEU 37 HD11 LEU 37 -1.358 -1.708 2.183 316 2HD1 LEU 37 HD12 LEU 37 -1.847 -3.346 1.746 317 3HD1 LEU 37 HD13 LEU 37 -2.272 -1.990 0.702 318 1HD2 LEU 37 HD21 LEU 37 1.822 -2.372 1.195 319 2HD2 LEU 37 HD22 LEU 37 1.101 -3.934 1.585 320 3HD2 LEU 37 HD23 LEU 37 0.681 -2.508 2.534 321 H LEU 38 HN LEU 38 -0.731 -5.757 -1.748 322 HA LEU 38 HA LEU 38 -0.442 -6.387 -4.460 323 1HB LEU 38 HB2 LEU 38 1.972 -5.526 -3.244 324 2HB LEU 38 HB1 LEU 38 2.110 -7.254 -3.501 325 HG LEU 38 HG LEU 38 1.152 -5.575 -5.767 326 1HD1 LEU 38 HD11 LEU 38 3.310 -4.891 -6.411 327 2HD1 LEU 38 HD12 LEU 38 4.081 -5.877 -5.168 328 3HD1 LEU 38 HD13 LEU 38 3.160 -4.443 -4.711 329 1HD2 LEU 38 HD21 LEU 38 1.203 -7.719 -6.489 330 2HD2 LEU 38 HD22 LEU 38 2.432 -8.201 -5.320 331 3HD2 LEU 38 HD23 LEU 38 2.897 -7.331 -6.783 332 H VAL 39 HN VAL 39 1.380 -7.784 -1.748 333 HA VAL 39 HA VAL 39 -0.551 -9.976 -1.587 334 HB VAL 39 HB VAL 39 2.325 -10.756 -1.592 335 1HG1 VAL 39 HG11 VAL 39 0.196 -12.190 -1.108 336 2HG1 VAL 39 HG12 VAL 39 1.523 -12.861 -2.058 337 3HG1 VAL 39 HG13 VAL 39 0.079 -12.252 -2.867 338 1HG2 VAL 39 HG21 VAL 39 2.072 -9.362 -3.619 339 2HG2 VAL 39 HG22 VAL 39 0.743 -10.398 -4.139 340 3HG2 VAL 39 HG23 VAL 39 2.370 -11.060 -3.993 341 H ASP 40 HN ASP 40 -1.026 -10.377 0.459 342 HA ASP 40 HA ASP 40 0.937 -9.650 2.530 343 1HB ASP 40 HB2 ASP 40 -1.699 -8.747 2.189 344 2HB ASP 40 HB1 ASP 40 -1.765 -9.877 3.538 345 H THR 41 HN THR 41 0.834 -12.203 1.203 346 HA THR 41 HA THR 41 -0.475 -14.082 2.932 347 HB THR 41 HB THR 41 -0.198 -14.734 0.657 348 HG1 THR 41 HG1 THR 41 0.319 -16.678 1.203 349 1HG2 THR 41 HG21 THR 41 2.107 -15.133 -0.279 350 2HG2 THR 41 HG22 THR 41 2.713 -14.125 1.035 351 3HG2 THR 41 HG23 THR 41 1.596 -13.452 -0.150 352 HA PRO 42 HA PRO 42 2.813 -13.985 5.981 353 1HB PRO 42 HB2 PRO 42 1.502 -16.321 7.166 354 2HB PRO 42 HB1 PRO 42 1.723 -14.705 7.843 355 1HG PRO 42 HG2 PRO 42 -0.690 -15.637 7.069 356 2HG PRO 42 HG1 PRO 42 -0.248 -13.926 6.963 357 1HD PRO 42 HD2 PRO 42 -0.347 -15.993 4.805 358 2HD PRO 42 HD1 PRO 42 -0.836 -14.285 4.760 359 H GLU 43 HN GLU 43 4.717 -14.732 5.264 360 HA GLU 43 HA GLU 43 6.430 -16.168 4.867 361 1HB GLU 43 HB2 GLU 43 4.593 -17.717 6.480 362 2HB GLU 43 HB1 GLU 43 5.459 -18.745 5.347 363 1HG GLU 43 HG2 GLU 43 7.051 -16.766 6.862 364 2HG GLU 43 HG1 GLU 43 6.398 -18.138 7.756 365 H THR 44 HN THR 44 3.307 -17.501 3.733 366 HA THR 44 HA THR 44 4.499 -18.937 1.583 367 HB THR 44 HB THR 44 1.656 -18.164 1.344 368 HG1 THR 44 HG1 THR 44 1.517 -18.371 3.479 369 1HG2 THR 44 HG21 THR 44 3.329 -20.406 0.689 370 2HG2 THR 44 HG22 THR 44 1.711 -19.999 0.115 371 3HG2 THR 44 HG23 THR 44 1.913 -20.919 1.607 372 H LYS 45 HN LYS 45 3.534 -18.531 -0.711 373 HA LYS 45 HA LYS 45 3.712 -15.661 -1.339 374 1HB LYS 45 HB2 LYS 45 5.833 -16.934 -1.842 375 2HB LYS 45 HB1 LYS 45 4.917 -17.854 -3.027 376 1HG LYS 45 HG2 LYS 45 5.237 -16.279 -4.543 377 2HG LYS 45 HG1 LYS 45 4.476 -15.081 -3.497 378 1HD LYS 45 HD2 LYS 45 6.442 -14.109 -3.130 379 2HD LYS 45 HD1 LYS 45 7.108 -15.625 -2.523 380 1HE LYS 45 HE2 LYS 45 8.495 -15.012 -4.319 381 2HE LYS 45 HE1 LYS 45 7.445 -16.278 -4.954 382 1HZ LYS 45 HZ1 LYS 45 7.686 -14.391 -6.480 383 2HZ LYS 45 HZ2 LYS 45 7.002 -13.364 -5.323 384 3HZ LYS 45 HZ3 LYS 45 6.079 -14.611 -5.996 385 H HIS 46 HN HIS 46 1.550 -17.872 -1.146 386 HA HIS 46 HA HIS 46 0.474 -17.771 -3.860 387 1HB HIS 46 HB2 HIS 46 0.078 -19.477 -1.479 388 2HB HIS 46 HB1 HIS 46 -1.375 -19.155 -2.419 389 HD1 HIS 46 HD1 HIS 46 -1.558 -21.548 -3.308 390 HD2 HIS 46 HD2 HIS 46 2.051 -19.705 -4.227 391 HE1 HIS 46 HE1 HIS 46 -0.453 -23.041 -5.003 392 HE2 HIS 46 HE2 HIS 46 1.770 -21.954 -5.473 393 HA PRO 47 HA PRO 47 -2.708 -14.747 -3.440 394 1HB PRO 47 HB2 PRO 47 -5.025 -16.380 -3.221 395 2HB PRO 47 HB1 PRO 47 -4.391 -15.610 -4.677 396 1HG PRO 47 HG2 PRO 47 -4.058 -18.397 -3.711 397 2HG PRO 47 HG1 PRO 47 -4.093 -17.774 -5.370 398 1HD PRO 47 HD2 PRO 47 -1.806 -18.567 -4.231 399 2HD PRO 47 HD1 PRO 47 -1.851 -17.161 -5.316 400 H LYS 48 HN LYS 48 -2.017 -14.114 -1.351 401 HA LYS 48 HA LYS 48 -2.481 -15.222 1.073 402 1HB LYS 48 HB2 LYS 48 -2.237 -13.069 2.036 403 2HB LYS 48 HB1 LYS 48 -1.276 -13.065 0.564 404 1HG LYS 48 HG2 LYS 48 -4.080 -12.013 0.566 405 2HG LYS 48 HG1 LYS 48 -2.729 -11.015 1.103 406 1HD LYS 48 HD2 LYS 48 -2.409 -10.482 -1.038 407 2HD LYS 48 HD1 LYS 48 -1.856 -12.139 -1.286 408 1HE LYS 48 HE2 LYS 48 -4.359 -12.691 -1.574 409 2HE LYS 48 HE1 LYS 48 -4.562 -10.954 -1.796 410 1HZ LYS 48 HZ1 LYS 48 -4.105 -11.382 -3.922 411 2HZ LYS 48 HZ2 LYS 48 -3.474 -12.915 -3.593 412 3HZ LYS 48 HZ3 LYS 48 -2.493 -11.546 -3.438 413 H LYS 49 HN LYS 49 -3.973 -14.488 2.791 414 HA LYS 49 HA LYS 49 -6.644 -13.714 2.047 415 1HB LYS 49 HB2 LYS 49 -7.645 -15.769 3.148 416 2HB LYS 49 HB1 LYS 49 -6.934 -16.021 1.560 417 1HG LYS 49 HG2 LYS 49 -4.938 -16.460 3.552 418 2HG LYS 49 HG1 LYS 49 -6.380 -17.387 3.962 419 1HD LYS 49 HD2 LYS 49 -5.653 -18.914 2.505 420 2HD LYS 49 HD1 LYS 49 -6.103 -17.776 1.236 421 1HE LYS 49 HE2 LYS 49 -3.968 -17.753 0.615 422 2HE LYS 49 HE1 LYS 49 -3.604 -16.915 2.122 423 1HZ LYS 49 HZ1 LYS 49 -3.815 -19.840 2.161 424 2HZ LYS 49 HZ2 LYS 49 -2.858 -18.817 3.108 425 3HZ LYS 49 HZ3 LYS 49 -2.419 -19.142 1.508 426 H GLY 50 HN GLY 50 -4.368 -14.864 4.441 427 1HA GLY 50 HA2 GLY 50 -5.567 -13.024 6.395 428 2HA GLY 50 HA1 GLY 50 -5.147 -14.667 6.866 429 H VAL 51 HN VAL 51 -4.069 -11.535 6.800 430 HA VAL 51 HA VAL 51 -1.312 -11.890 6.243 431 HB VAL 51 HB VAL 51 -2.449 -9.735 8.015 432 1HG1 VAL 51 HG11 VAL 51 0.040 -10.016 7.753 433 2HG1 VAL 51 HG12 VAL 51 -0.598 -8.436 7.301 434 3HG1 VAL 51 HG13 VAL 51 -0.173 -9.605 6.051 435 1HG2 VAL 51 HG21 VAL 51 -2.362 -8.592 5.558 436 2HG2 VAL 51 HG22 VAL 51 -3.819 -9.258 6.295 437 3HG2 VAL 51 HG23 VAL 51 -2.889 -10.225 5.152 438 H GLU 52 HN GLU 52 0.444 -12.023 7.627 439 HA GLU 52 HA GLU 52 0.221 -13.756 9.788 440 1HB GLU 52 HB2 GLU 52 2.281 -12.844 8.307 441 2HB GLU 52 HB1 GLU 52 2.547 -11.927 9.782 442 1HG GLU 52 HG2 GLU 52 1.994 -14.722 10.315 443 2HG GLU 52 HG1 GLU 52 3.395 -14.500 9.266 444 H LYS 53 HN LYS 53 1.049 -13.307 12.011 445 HA LYS 53 HA LYS 53 -0.361 -10.972 13.080 446 1HB LYS 53 HB2 LYS 53 0.787 -13.308 14.613 447 2HB LYS 53 HB1 LYS 53 -0.359 -12.110 15.199 448 1HG LYS 53 HG2 LYS 53 -1.744 -13.883 14.788 449 2HG LYS 53 HG1 LYS 53 -1.854 -13.010 13.259 450 1HD LYS 53 HD2 LYS 53 -1.086 -14.782 12.158 451 2HD LYS 53 HD1 LYS 53 0.374 -14.798 13.149 452 1HE LYS 53 HE2 LYS 53 -0.407 -16.835 13.740 453 2HE LYS 53 HE1 LYS 53 -1.352 -15.885 14.887 454 1HZ LYS 53 HZ1 LYS 53 -3.256 -16.292 13.788 455 2HZ LYS 53 HZ2 LYS 53 -2.420 -17.643 13.207 456 3HZ LYS 53 HZ3 LYS 53 -2.534 -16.247 12.258 457 H TYR 54 HN TYR 54 1.138 -9.346 12.693 458 HA TYR 54 HA TYR 54 3.619 -9.534 14.278 459 1HB TYR 54 HB2 TYR 54 4.614 -7.972 12.570 460 2HB TYR 54 HB1 TYR 54 4.245 -9.586 11.964 461 HD1 TYR 54 HD1 TYR 54 2.833 -6.155 12.177 462 HD2 TYR 54 HD2 TYR 54 2.941 -9.829 10.041 463 HE1 TYR 54 HE1 TYR 54 1.448 -5.163 10.419 464 HE2 TYR 54 HE2 TYR 54 1.555 -8.844 8.265 465 HH TYR 54 HH TYR 54 0.953 -6.682 7.383 466 H GLY 55 HN GLY 55 0.976 -7.500 13.144 467 1HA GLY 55 HA2 GLY 55 -0.045 -5.766 14.304 468 2HA GLY 55 HA1 GLY 55 1.242 -5.833 15.492 469 HA PRO 56 HA PRO 56 2.662 -1.800 14.322 470 1HB PRO 56 HB2 PRO 56 5.246 -3.314 14.441 471 2HB PRO 56 HB1 PRO 56 4.886 -1.686 15.033 472 1HG PRO 56 HG2 PRO 56 4.913 -3.737 16.715 473 2HG PRO 56 HG1 PRO 56 3.673 -2.477 16.855 474 1HD PRO 56 HD2 PRO 56 3.421 -5.267 15.926 475 2HD PRO 56 HD1 PRO 56 2.190 -4.192 16.608 476 H GLU 57 HN GLU 57 4.256 -4.549 12.683 477 HA GLU 57 HA GLU 57 5.450 -3.268 10.601 478 1HB GLU 57 HB2 GLU 57 4.919 -5.896 11.242 479 2HB GLU 57 HB1 GLU 57 4.130 -5.694 9.684 480 1HG GLU 57 HG2 GLU 57 6.313 -6.459 9.243 481 2HG GLU 57 HG1 GLU 57 6.287 -4.745 8.827 482 H ALA 58 HN ALA 58 2.060 -3.416 11.099 483 HA ALA 58 HA ALA 58 1.430 -2.943 8.311 484 1HB ALA 58 HB1 ALA 58 -0.300 -4.179 9.038 485 2HB ALA 58 HB2 ALA 58 -0.930 -2.628 9.594 486 3HB ALA 58 HB3 ALA 58 -0.079 -3.689 10.717 487 H SER 59 HN SER 59 0.597 -1.274 11.355 488 HA SER 59 HA SER 59 0.298 1.210 9.864 489 1HB SER 59 HB2 SER 59 -0.259 0.620 12.779 490 2HB SER 59 HB1 SER 59 -0.691 2.099 11.920 491 HG SER 59 HG SER 59 -2.142 0.955 10.697 492 H ALA 60 HN ALA 60 2.184 -0.082 12.570 493 HA ALA 60 HA ALA 60 3.599 2.272 13.155 494 1HB ALA 60 HB1 ALA 60 3.403 0.041 14.472 495 2HB ALA 60 HB2 ALA 60 4.877 1.003 14.592 496 3HB ALA 60 HB3 ALA 60 4.834 -0.417 13.547 497 H PHE 61 HN PHE 61 4.125 -0.227 10.743 498 HA PHE 61 HA PHE 61 6.746 0.837 10.062 499 1HB PHE 61 HB2 PHE 61 5.912 -1.661 10.006 500 2HB PHE 61 HB1 PHE 61 5.348 -1.215 8.401 501 HD1 PHE 61 HD1 PHE 61 7.036 -0.273 6.765 502 HD2 PHE 61 HD2 PHE 61 8.140 -2.208 10.391 503 HE1 PHE 61 HE1 PHE 61 9.294 -0.655 5.866 504 HE2 PHE 61 HE2 PHE 61 10.402 -2.594 9.499 505 HZ PHE 61 HZ PHE 61 10.980 -1.816 7.233 506 H THR 62 HN THR 62 3.531 0.562 8.613 507 HA THR 62 HA THR 62 4.118 1.746 6.145 508 HB THR 62 HB THR 62 1.614 1.430 7.774 509 HG1 THR 62 HG1 THR 62 1.098 0.084 5.996 510 1HG2 THR 62 HG21 THR 62 0.658 2.071 5.310 511 2HG2 THR 62 HG22 THR 62 1.951 3.253 5.512 512 3HG2 THR 62 HG23 THR 62 0.658 3.146 6.707 513 H LYS 63 HN LYS 63 2.361 3.298 8.840 514 HA LYS 63 HA LYS 63 2.520 5.901 7.901 515 1HB LYS 63 HB2 LYS 63 1.086 5.079 9.771 516 2HB LYS 63 HB1 LYS 63 2.512 5.045 10.798 517 1HG LYS 63 HG2 LYS 63 1.945 7.594 9.424 518 2HG LYS 63 HG1 LYS 63 0.822 7.108 10.695 519 1HD LYS 63 HD2 LYS 63 2.656 6.899 12.273 520 2HD LYS 63 HD1 LYS 63 3.817 7.295 11.005 521 1HE LYS 63 HE2 LYS 63 2.634 9.492 10.741 522 2HE LYS 63 HE1 LYS 63 1.695 9.084 12.177 523 1HZ LYS 63 HZ1 LYS 63 4.583 8.871 12.433 524 2HZ LYS 63 HZ2 LYS 63 3.438 9.459 13.530 525 3HZ LYS 63 HZ3 LYS 63 3.972 10.440 12.259 526 H LYS 64 HN LYS 64 4.966 3.966 9.400 527 HA LYS 64 HA LYS 64 6.614 6.212 10.165 528 1HB LYS 64 HB2 LYS 64 6.711 4.244 11.542 529 2HB LYS 64 HB1 LYS 64 7.099 3.233 10.157 530 1HG LYS 64 HG2 LYS 64 9.261 4.268 9.945 531 2HG LYS 64 HG1 LYS 64 8.873 5.417 11.228 532 1HD LYS 64 HD2 LYS 64 9.076 2.422 11.539 533 2HD LYS 64 HD1 LYS 64 10.289 3.597 12.052 534 1HE LYS 64 HE2 LYS 64 7.496 3.237 13.119 535 2HE LYS 64 HE1 LYS 64 9.017 2.989 13.975 536 1HZ LYS 64 HZ1 LYS 64 9.350 5.495 13.370 537 2HZ LYS 64 HZ2 LYS 64 8.433 5.049 14.720 538 3HZ LYS 64 HZ3 LYS 64 7.660 5.493 13.283 539 H MET 65 HN MET 65 6.944 3.540 7.825 540 HA MET 65 HA MET 65 9.288 4.238 6.609 541 1HB MET 65 HB2 MET 65 6.866 2.781 5.768 542 2HB MET 65 HB1 MET 65 7.884 3.364 4.458 543 1HG MET 65 HG2 MET 65 9.070 1.847 6.742 544 2HG MET 65 HG1 MET 65 8.276 1.003 5.412 545 1HE MET 65 HE1 MET 65 10.970 0.775 6.621 546 2HE MET 65 HE2 MET 65 12.163 2.006 6.203 547 3HE MET 65 HE3 MET 65 12.057 0.522 5.256 548 H VAL 66 HN VAL 66 6.213 5.839 6.304 549 HA VAL 66 HA VAL 66 7.148 7.439 4.049 550 HB VAL 66 HB VAL 66 4.888 8.431 4.069 551 1HG1 VAL 66 HG11 VAL 66 3.856 6.637 3.032 552 2HG1 VAL 66 HG12 VAL 66 4.530 5.464 4.164 553 3HG1 VAL 66 HG13 VAL 66 5.562 6.198 2.937 554 1HG2 VAL 66 HG21 VAL 66 3.220 7.831 5.580 555 2HG2 VAL 66 HG22 VAL 66 4.647 8.010 6.600 556 3HG2 VAL 66 HG23 VAL 66 4.096 6.402 6.129 557 H GLU 67 HN GLU 67 6.924 7.624 7.469 558 HA GLU 67 HA GLU 67 6.827 10.497 7.611 559 1HB GLU 67 HB2 GLU 67 6.190 8.539 9.369 560 2HB GLU 67 HB1 GLU 67 7.788 8.978 9.955 561 1HG GLU 67 HG2 GLU 67 6.619 11.419 9.597 562 2HG GLU 67 HG1 GLU 67 5.261 10.424 10.121 563 H ASN 68 HN ASN 68 9.305 8.076 7.395 564 HA ASN 68 HA ASN 68 11.368 9.999 8.170 565 1HB ASN 68 HB2 ASN 68 12.908 8.080 8.084 566 2HB ASN 68 HB1 ASN 68 11.535 7.764 9.141 567 1HD2 ASN 68 HD21 ASN 68 13.036 7.026 6.088 568 2HD2 ASN 68 HD22 ASN 68 12.131 5.590 5.765 569 H ALA 69 HN ALA 69 10.077 8.372 5.372 570 HA ALA 69 HA ALA 69 12.221 9.511 3.716 571 1HB ALA 69 HB1 ALA 69 10.361 7.194 3.261 572 2HB ALA 69 HB2 ALA 69 12.123 7.187 3.345 573 3HB ALA 69 HB3 ALA 69 11.308 7.920 1.963 574 H LYS 70 HN LYS 70 11.658 11.469 3.003 575 HA LYS 70 HA LYS 70 9.017 12.397 2.705 576 1HB LYS 70 HB2 LYS 70 11.715 13.370 1.918 577 2HB LYS 70 HB1 LYS 70 10.331 14.090 1.107 578 1HG LYS 70 HG2 LYS 70 10.343 15.512 2.831 579 2HG LYS 70 HG1 LYS 70 9.532 14.204 3.695 580 1HD LYS 70 HD2 LYS 70 11.240 14.030 5.109 581 2HD LYS 70 HD1 LYS 70 12.361 13.774 3.770 582 1HE LYS 70 HE2 LYS 70 11.995 16.431 3.568 583 2HE LYS 70 HE1 LYS 70 11.756 16.224 5.303 584 1HZ LYS 70 HZ1 LYS 70 13.953 14.778 4.938 585 2HZ LYS 70 HZ2 LYS 70 13.983 16.425 5.320 586 3HZ LYS 70 HZ3 LYS 70 14.170 15.927 3.715 587 H LYS 71 HN LYS 71 10.880 10.342 0.745 588 HA LYS 71 HA LYS 71 9.438 10.978 -1.705 589 1HB LYS 71 HB2 LYS 71 10.809 9.004 -2.590 590 2HB LYS 71 HB1 LYS 71 11.672 10.489 -2.189 591 1HG LYS 71 HG2 LYS 71 12.209 9.447 0.042 592 2HG LYS 71 HG1 LYS 71 11.547 7.942 -0.596 593 1HD LYS 71 HD2 LYS 71 13.970 7.991 -0.835 594 2HD LYS 71 HD1 LYS 71 13.187 7.998 -2.417 595 1HE LYS 71 HE2 LYS 71 14.070 9.977 -2.950 596 2HE LYS 71 HE1 LYS 71 13.628 10.680 -1.395 597 1HZ LYS 71 HZ1 LYS 71 15.636 9.193 -0.608 598 2HZ LYS 71 HZ2 LYS 71 15.876 10.749 -1.225 599 3HZ LYS 71 HZ3 LYS 71 16.124 9.401 -2.215 600 H ILE 72 HN ILE 72 7.381 10.273 -1.607 601 HA ILE 72 HA ILE 72 7.061 7.382 -1.299 602 HB ILE 72 HB ILE 72 5.034 9.299 -0.169 603 1HG1 ILE 72 HG12 ILE 72 6.059 7.932 1.974 604 2HG1 ILE 72 HG11 ILE 72 7.503 8.195 1.001 605 1HG2 ILE 72 HG21 ILE 72 4.864 6.644 -0.952 606 2HG2 ILE 72 HG22 ILE 72 3.743 7.497 0.114 607 3HG2 ILE 72 HG23 ILE 72 5.073 6.562 0.799 608 1HD1 ILE 72 HD11 ILE 72 5.758 10.536 1.379 609 2HD1 ILE 72 HD12 ILE 72 7.516 10.409 1.391 610 3HD1 ILE 72 HD13 ILE 72 6.589 9.937 2.815 611 H GLU 73 HN GLU 73 6.755 6.943 -3.361 612 HA GLU 73 HA GLU 73 4.821 8.492 -4.914 613 1HB GLU 73 HB2 GLU 73 6.606 6.193 -5.742 614 2HB GLU 73 HB1 GLU 73 5.591 7.136 -6.824 615 1HG GLU 73 HG2 GLU 73 7.156 8.999 -5.451 616 2HG GLU 73 HG1 GLU 73 8.243 7.675 -5.868 617 H VAL 74 HN VAL 74 3.510 6.872 -6.493 618 HA VAL 74 HA VAL 74 2.492 4.610 -4.954 619 HB VAL 74 HB VAL 74 0.150 5.299 -5.253 620 1HG1 VAL 74 HG11 VAL 74 1.083 5.727 -3.118 621 2HG1 VAL 74 HG12 VAL 74 0.181 7.172 -3.573 622 3HG1 VAL 74 HG13 VAL 74 1.939 7.155 -3.701 623 1HG2 VAL 74 HG21 VAL 74 -0.471 7.019 -6.517 624 2HG2 VAL 74 HG22 VAL 74 1.210 7.168 -7.028 625 3HG2 VAL 74 HG23 VAL 74 0.614 8.117 -5.666 626 H GLU 75 HN GLU 75 1.700 2.972 -6.161 627 HA GLU 75 HA GLU 75 1.843 3.323 -9.082 628 1HB GLU 75 HB2 GLU 75 3.314 1.601 -7.829 629 2HB GLU 75 HB1 GLU 75 1.832 0.669 -7.668 630 1HG GLU 75 HG2 GLU 75 3.019 -0.138 -9.565 631 2HG GLU 75 HG1 GLU 75 1.592 0.725 -10.135 632 H PHE 76 HN PHE 76 -0.430 4.218 -7.759 633 HA PHE 76 HA PHE 76 -2.437 2.130 -8.058 634 1HB PHE 76 HB2 PHE 76 -3.613 3.265 -6.520 635 2HB PHE 76 HB1 PHE 76 -2.154 4.209 -6.276 636 HD1 PHE 76 HD1 PHE 76 -5.534 4.481 -6.654 637 HD2 PHE 76 HD2 PHE 76 -1.940 6.143 -8.213 638 HE1 PHE 76 HE1 PHE 76 -6.758 6.516 -7.293 639 HE2 PHE 76 HE2 PHE 76 -3.157 8.183 -8.855 640 HZ PHE 76 HZ PHE 76 -5.570 8.372 -8.395 641 H ASP 77 HN ASP 77 -4.438 2.569 -9.219 642 HA ASP 77 HA ASP 77 -3.862 3.744 -11.819 643 1HB ASP 77 HB2 ASP 77 -4.954 1.433 -11.398 644 2HB ASP 77 HB1 ASP 77 -6.422 2.348 -11.064 645 H LYS 78 HN LYS 78 -5.271 5.237 -12.852 646 HA LYS 78 HA LYS 78 -6.594 7.038 -10.958 647 1HB LYS 78 HB2 LYS 78 -4.878 7.528 -13.071 648 2HB LYS 78 HB1 LYS 78 -6.453 7.912 -13.751 649 1HG LYS 78 HG2 LYS 78 -5.488 9.034 -11.138 650 2HG LYS 78 HG1 LYS 78 -5.202 9.821 -12.691 651 1HD LYS 78 HD2 LYS 78 -7.147 10.862 -12.148 652 2HD LYS 78 HD1 LYS 78 -7.832 9.426 -12.911 653 1HE LYS 78 HE2 LYS 78 -7.354 8.738 -10.229 654 2HE LYS 78 HE1 LYS 78 -8.077 10.345 -10.200 655 1HZ LYS 78 HZ1 LYS 78 -9.329 8.412 -11.973 656 2HZ LYS 78 HZ2 LYS 78 -10.034 9.575 -10.967 657 3HZ LYS 78 HZ3 LYS 78 -9.497 8.109 -10.316 658 H GLY 79 HN GLY 79 -7.781 4.532 -11.765 659 1HA GLY 79 HA2 GLY 79 -10.369 5.539 -12.587 660 2HA GLY 79 HA1 GLY 79 -9.631 4.370 -13.682 661 H GLN 80 HN GLN 80 -9.312 4.497 -10.207 662 HA GLN 80 HA GLN 80 -10.002 1.732 -9.980 663 1HB GLN 80 HB2 GLN 80 -8.442 2.116 -8.398 664 2HB GLN 80 HB1 GLN 80 -8.837 3.820 -8.273 665 1HG GLN 80 HG2 GLN 80 -9.366 3.056 -6.179 666 2HG GLN 80 HG1 GLN 80 -10.927 2.967 -6.978 667 1HE2 GLN 80 HE21 GLN 80 -10.601 1.506 -4.770 668 2HE2 GLN 80 HE22 GLN 80 -10.460 -0.174 -5.148 669 H ARG 81 HN ARG 81 -11.861 0.896 -9.572 670 HA ARG 81 HA ARG 81 -14.243 2.424 -9.446 671 1HB ARG 81 HB2 ARG 81 -13.606 -0.245 -9.910 672 2HB ARG 81 HB1 ARG 81 -14.527 -0.289 -8.414 673 1HG ARG 81 HG2 ARG 81 -15.779 1.436 -10.362 674 2HG ARG 81 HG1 ARG 81 -15.534 -0.192 -10.999 675 1HD ARG 81 HD2 ARG 81 -17.107 -1.062 -9.668 676 2HD ARG 81 HD1 ARG 81 -16.530 -0.172 -8.259 677 HE ARG 81 HE ARG 81 -17.779 1.733 -9.702 678 1HH1 ARG 81 HH11 ARG 81 -18.759 -1.439 -8.625 679 2HH1 ARG 81 HH12 ARG 81 -20.435 -1.020 -8.512 680 1HH2 ARG 81 HH21 ARG 81 -19.984 2.286 -9.552 681 2HH2 ARG 81 HH22 ARG 81 -21.130 1.094 -9.040 682 H THR 82 HN THR 82 -13.704 3.844 -7.679 683 HA THR 82 HA THR 82 -13.798 2.618 -5.023 684 HB THR 82 HB THR 82 -13.396 5.308 -4.622 685 HG1 THR 82 HG1 THR 82 -11.981 4.538 -6.954 686 1HG2 THR 82 HG21 THR 82 -11.608 4.563 -3.584 687 2HG2 THR 82 HG22 THR 82 -10.891 3.985 -5.089 688 3HG2 THR 82 HG23 THR 82 -12.005 2.958 -4.192 689 H ASP 83 HN ASP 83 -14.914 4.013 -3.336 690 HA ASP 83 HA ASP 83 -17.641 4.487 -4.247 691 1HB ASP 83 HB2 ASP 83 -16.441 4.265 -1.479 692 2HB ASP 83 HB1 ASP 83 -18.143 4.594 -1.791 693 H LYS 84 HN LYS 84 -14.916 6.168 -2.771 694 HA LYS 84 HA LYS 84 -15.582 8.667 -3.784 695 1HB LYS 84 HB2 LYS 84 -16.375 9.848 -1.761 696 2HB LYS 84 HB1 LYS 84 -17.519 8.647 -2.337 697 1HG LYS 84 HG2 LYS 84 -15.581 7.790 -0.271 698 2HG LYS 84 HG1 LYS 84 -16.868 8.893 0.222 699 1HD LYS 84 HD2 LYS 84 -18.125 6.960 -1.354 700 2HD LYS 84 HD1 LYS 84 -16.985 6.064 -0.348 701 1HE LYS 84 HE2 LYS 84 -18.630 8.154 0.966 702 2HE LYS 84 HE1 LYS 84 -19.445 6.672 0.468 703 1HZ LYS 84 HZ1 LYS 84 -16.930 6.421 1.941 704 2HZ LYS 84 HZ2 LYS 84 -18.297 5.427 1.964 705 3HZ LYS 84 HZ3 LYS 84 -18.305 6.892 2.808 706 H TYR 85 HN TYR 85 -14.001 6.844 -1.216 707 HA TYR 85 HA TYR 85 -11.462 7.694 -1.578 708 1HB TYR 85 HB2 TYR 85 -11.317 9.379 0.459 709 2HB TYR 85 HB1 TYR 85 -11.623 9.954 -1.170 710 HD1 TYR 85 HD1 TYR 85 -13.171 11.662 -1.249 711 HD2 TYR 85 HD2 TYR 85 -13.702 8.575 1.628 712 HE1 TYR 85 HE1 TYR 85 -15.222 12.761 -0.455 713 HE2 TYR 85 HE2 TYR 85 -15.756 9.662 2.426 714 HH TYR 85 HH TYR 85 -16.570 12.802 1.712 715 H GLY 86 HN GLY 86 -13.969 6.765 0.606 716 1HA GLY 86 HA2 GLY 86 -12.719 6.174 2.949 717 2HA GLY 86 HA1 GLY 86 -13.942 5.134 2.237 718 H ARG 87 HN ARG 87 -12.142 4.721 -0.131 719 HA ARG 87 HA ARG 87 -9.744 3.535 0.677 720 1HB ARG 87 HB2 ARG 87 -11.276 1.974 1.829 721 2HB ARG 87 HB1 ARG 87 -12.020 1.584 0.285 722 1HG ARG 87 HG2 ARG 87 -9.123 1.127 0.950 723 2HG ARG 87 HG1 ARG 87 -10.389 -0.098 1.057 724 1HD ARG 87 HD2 ARG 87 -9.217 1.211 -1.357 725 2HD ARG 87 HD1 ARG 87 -9.448 -0.485 -1.019 726 HE ARG 87 HE ARG 87 -11.726 1.328 -1.571 727 1HH1 ARG 87 HH11 ARG 87 -9.997 -1.670 -2.161 728 2HH1 ARG 87 HH12 ARG 87 -11.216 -2.300 -3.213 729 1HH2 ARG 87 HH21 ARG 87 -13.311 0.482 -2.955 730 2HH2 ARG 87 HH22 ARG 87 -13.093 -1.083 -3.665 731 H TRP 88 HN TRP 88 -8.523 3.314 -1.058 732 HA TRP 88 HA TRP 88 -9.751 2.930 -3.710 733 1HB TRP 88 HB2 TRP 88 -7.648 4.910 -2.854 734 2HB TRP 88 HB1 TRP 88 -7.664 4.304 -4.501 735 HD1 TRP 88 HD1 TRP 88 -10.062 6.157 -2.073 736 HE1 TRP 88 HE1 TRP 88 -11.526 7.743 -3.479 737 HE3 TRP 88 HE3 TRP 88 -8.378 4.912 -6.745 738 HZ2 TRP 88 HZ2 TRP 88 -11.912 8.385 -6.197 739 HZ3 TRP 88 HZ3 TRP 88 -9.348 6.057 -8.688 740 HH2 TRP 88 HH2 TRP 88 -11.077 7.761 -8.421 741 H LEU 89 HN LEU 89 -7.987 2.152 -5.330 742 HA LEU 89 HA LEU 89 -6.557 -0.021 -4.025 743 1HB LEU 89 HB2 LEU 89 -6.406 -1.024 -6.068 744 2HB LEU 89 HB1 LEU 89 -7.799 -0.006 -6.364 745 HG LEU 89 HG LEU 89 -6.496 0.190 -8.296 746 1HD1 LEU 89 HD11 LEU 89 -5.224 2.570 -7.267 747 2HD1 LEU 89 HD12 LEU 89 -6.890 2.432 -6.718 748 3HD1 LEU 89 HD13 LEU 89 -6.526 2.402 -8.441 749 1HD2 LEU 89 HD21 LEU 89 -4.252 0.024 -8.444 750 2HD2 LEU 89 HD22 LEU 89 -4.432 -0.710 -6.851 751 3HD2 LEU 89 HD23 LEU 89 -3.973 0.986 -6.993 752 H ALA 90 HN ALA 90 -4.229 -0.319 -4.204 753 HA ALA 90 HA ALA 90 -2.503 1.577 -5.345 754 1HB ALA 90 HB1 ALA 90 -1.794 2.918 -3.536 755 2HB ALA 90 HB2 ALA 90 -2.731 1.977 -2.377 756 3HB ALA 90 HB3 ALA 90 -3.552 2.998 -3.554 757 H TYR 91 HN TYR 91 -0.266 1.363 -4.680 758 HA TYR 91 HA TYR 91 0.296 -1.271 -3.497 759 1HB TYR 91 HB2 TYR 91 1.674 0.180 -5.758 760 2HB TYR 91 HB1 TYR 91 2.405 -1.181 -4.917 761 HD1 TYR 91 HD1 TYR 91 2.360 -3.069 -6.206 762 HD2 TYR 91 HD2 TYR 91 -1.048 -0.518 -6.242 763 HE1 TYR 91 HE1 TYR 91 1.201 -4.645 -7.697 764 HE2 TYR 91 HE2 TYR 91 -2.213 -2.088 -7.730 765 HH TYR 91 HH TYR 91 -1.023 -5.242 -8.375 766 H ILE 92 HN ILE 92 0.815 2.101 -3.328 767 HA ILE 92 HA ILE 92 1.976 3.422 -1.904 768 HB ILE 92 HB ILE 92 2.438 0.851 -0.389 769 1HG1 ILE 92 HG12 ILE 92 0.641 2.181 1.070 770 2HG1 ILE 92 HG11 ILE 92 0.250 2.866 -0.507 771 1HG2 ILE 92 HG21 ILE 92 4.081 2.383 0.359 772 2HG2 ILE 92 HG22 ILE 92 2.780 2.448 1.547 773 3HG2 ILE 92 HG23 ILE 92 2.939 3.727 0.344 774 1HD1 ILE 92 HD11 ILE 92 -0.913 1.070 -1.032 775 2HD1 ILE 92 HD12 ILE 92 -0.606 0.428 0.583 776 3HD1 ILE 92 HD13 ILE 92 0.486 0.036 -0.746 777 H TYR 93 HN TYR 93 4.157 4.018 -1.253 778 HA TYR 93 HA TYR 93 6.322 2.391 -2.319 779 1HB TYR 93 HB2 TYR 93 5.131 4.284 -3.927 780 2HB TYR 93 HB1 TYR 93 6.515 5.143 -3.268 781 HD1 TYR 93 HD1 TYR 93 8.370 5.125 -4.590 782 HD2 TYR 93 HD2 TYR 93 5.800 1.737 -4.611 783 HE1 TYR 93 HE1 TYR 93 9.807 4.050 -6.258 784 HE2 TYR 93 HE2 TYR 93 7.224 0.650 -6.279 785 HH TYR 93 HH TYR 93 8.869 1.201 -7.946 786 H ALA 94 HN ALA 94 8.175 2.648 -1.189 787 HA ALA 94 HA ALA 94 8.472 5.070 0.436 788 1HB ALA 94 HB1 ALA 94 8.936 2.275 1.476 789 2HB ALA 94 HB2 ALA 94 7.565 3.306 1.883 790 3HB ALA 94 HB3 ALA 94 9.195 3.777 2.364 791 H ASP 95 HN ASP 95 10.188 5.998 -0.493 792 HA ASP 95 HA ASP 95 12.288 6.342 -1.294 793 1HB ASP 95 HB2 ASP 95 12.665 5.531 1.124 794 2HB ASP 95 HB1 ASP 95 13.187 4.019 0.389 795 H GLY 96 HN GLY 96 10.762 4.812 -3.012 796 1HA GLY 96 HA2 GLY 96 11.322 3.819 -5.060 797 2HA GLY 96 HA1 GLY 96 12.875 3.357 -4.386 798 H LYS 97 HN LYS 97 11.362 2.222 -1.987 799 HA LYS 97 HA LYS 97 10.519 -0.273 -3.307 800 1HB LYS 97 HB2 LYS 97 11.260 -1.424 -1.218 801 2HB LYS 97 HB1 LYS 97 12.564 -0.662 -2.116 802 1HG LYS 97 HG2 LYS 97 12.337 1.299 -0.545 803 2HG LYS 97 HG1 LYS 97 11.278 0.278 0.430 804 1HD LYS 97 HD2 LYS 97 13.468 -1.335 -0.033 805 2HD LYS 97 HD1 LYS 97 14.181 0.264 0.182 806 1HE LYS 97 HE2 LYS 97 13.439 0.453 2.352 807 2HE LYS 97 HE1 LYS 97 12.096 -0.661 2.100 808 1HZ LYS 97 HZ1 LYS 97 14.256 -1.349 3.421 809 2HZ LYS 97 HZ2 LYS 97 14.799 -1.741 1.868 810 3HZ LYS 97 HZ3 LYS 97 13.396 -2.462 2.479 811 H MET 98 HN MET 98 8.512 -0.947 -2.953 812 HA MET 98 HA MET 98 6.662 0.597 -1.490 813 1HB MET 98 HB2 MET 98 6.289 -2.271 -2.351 814 2HB MET 98 HB1 MET 98 5.039 -1.070 -2.071 815 1HG MET 98 HG2 MET 98 5.250 -0.185 -4.112 816 2HG MET 98 HG1 MET 98 7.009 -0.302 -4.091 817 1HE MET 98 HE1 MET 98 4.008 -1.710 -6.176 818 2HE MET 98 HE2 MET 98 5.331 -2.087 -7.278 819 3HE MET 98 HE3 MET 98 5.282 -0.525 -6.462 820 H VAL 99 HN VAL 99 5.535 0.143 0.417 821 HA VAL 99 HA VAL 99 7.035 -0.780 2.570 822 HB VAL 99 HB VAL 99 4.772 -0.926 3.760 823 1HG1 VAL 99 HG11 VAL 99 6.084 1.009 4.072 824 2HG1 VAL 99 HG12 VAL 99 4.480 1.590 3.623 825 3HG1 VAL 99 HG13 VAL 99 5.778 1.574 2.429 826 1HG2 VAL 99 HG21 VAL 99 2.842 -0.095 2.669 827 2HG2 VAL 99 HG22 VAL 99 3.529 -1.312 1.592 828 3HG2 VAL 99 HG23 VAL 99 3.769 0.401 1.252 829 H ASN 100 HN ASN 100 4.741 -2.472 0.512 830 HA ASN 100 HA ASN 100 4.719 -4.847 2.134 831 1HB ASN 100 HB2 ASN 100 2.872 -4.000 0.535 832 2HB ASN 100 HB1 ASN 100 3.844 -4.724 -0.741 833 1HD2 ASN 100 HD21 ASN 100 3.546 -6.793 -1.168 834 2HD2 ASN 100 HD22 ASN 100 2.709 -7.921 -0.163 835 H GLU 101 HN GLU 101 6.086 -3.977 -1.034 836 HA GLU 101 HA GLU 101 7.279 -6.334 -1.745 837 1HB GLU 101 HB2 GLU 101 7.262 -3.913 -2.841 838 2HB GLU 101 HB1 GLU 101 8.870 -3.845 -2.131 839 1HG GLU 101 HG2 GLU 101 8.836 -6.303 -3.364 840 2HG GLU 101 HG1 GLU 101 7.921 -5.281 -4.469 841 H ALA 102 HN ALA 102 8.263 -4.142 0.774 842 HA ALA 102 HA ALA 102 10.831 -5.472 1.113 843 1HB ALA 102 HB1 ALA 102 10.862 -3.093 1.357 844 2HB ALA 102 HB2 ALA 102 11.153 -3.810 2.941 845 3HB ALA 102 HB3 ALA 102 9.566 -3.148 2.551 846 H LEU 103 HN LEU 103 8.011 -4.763 3.178 847 HA LEU 103 HA LEU 103 8.626 -6.172 5.419 848 1HB LEU 103 HB2 LEU 103 6.153 -5.374 4.078 849 2HB LEU 103 HB1 LEU 103 5.964 -6.772 5.120 850 HG LEU 103 HG LEU 103 6.645 -5.550 7.047 851 1HD1 LEU 103 HD11 LEU 103 7.963 -3.860 5.101 852 2HD1 LEU 103 HD12 LEU 103 8.279 -4.059 6.825 853 3HD1 LEU 103 HD13 LEU 103 7.051 -2.916 6.279 854 1HD2 LEU 103 HD21 LEU 103 4.436 -4.795 5.482 855 2HD2 LEU 103 HD22 LEU 103 5.123 -3.302 6.123 856 3HD2 LEU 103 HD23 LEU 103 4.648 -4.597 7.222 857 H VAL 104 HN VAL 104 6.994 -7.533 2.567 858 HA VAL 104 HA VAL 104 6.850 -10.174 3.562 859 HB VAL 104 HB VAL 104 6.467 -10.800 1.157 860 1HG1 VAL 104 HG11 VAL 104 4.433 -10.488 2.066 861 2HG1 VAL 104 HG12 VAL 104 4.424 -9.022 1.086 862 3HG1 VAL 104 HG13 VAL 104 4.878 -8.943 2.789 863 1HG2 VAL 104 HG21 VAL 104 7.585 -8.182 0.781 864 2HG2 VAL 104 HG22 VAL 104 5.974 -8.263 0.067 865 3HG2 VAL 104 HG23 VAL 104 7.213 -9.421 -0.418 866 H ARG 105 HN ARG 105 9.577 -8.484 2.753 867 HA ARG 105 HA ARG 105 11.211 -9.848 1.141 868 1HB ARG 105 HB2 ARG 105 13.073 -9.345 2.742 869 2HB ARG 105 HB1 ARG 105 12.031 -7.976 2.378 870 1HG ARG 105 HG2 ARG 105 10.774 -8.714 4.531 871 2HG ARG 105 HG1 ARG 105 12.290 -9.539 4.898 872 1HD ARG 105 HD2 ARG 105 12.077 -6.615 4.201 873 2HD ARG 105 HD1 ARG 105 12.106 -7.237 5.850 874 HE ARG 105 HE ARG 105 14.333 -8.283 4.616 875 1HH1 ARG 105 HH11 ARG 105 13.096 -5.094 5.306 876 2HH1 ARG 105 HH12 ARG 105 14.666 -4.372 5.420 877 1HH2 ARG 105 HH21 ARG 105 16.399 -7.337 4.764 878 2HH2 ARG 105 HH22 ARG 105 16.543 -5.646 5.111 879 H GLN 106 HN GLN 106 10.437 -10.888 4.449 880 HA GLN 106 HA GLN 106 11.466 -13.562 3.756 881 1HB GLN 106 HB2 GLN 106 11.788 -13.800 6.296 882 2HB GLN 106 HB1 GLN 106 12.952 -12.833 5.405 883 1HG GLN 106 HG2 GLN 106 12.069 -11.957 7.650 884 2HG GLN 106 HG1 GLN 106 12.178 -10.843 6.293 885 1HE2 GLN 106 HE21 GLN 106 10.538 -9.508 6.266 886 2HE2 GLN 106 HE22 GLN 106 8.893 -9.886 6.626 887 H GLY 107 HN GLY 107 8.713 -11.864 4.254 888 1HA GLY 107 HA2 GLY 107 6.647 -13.225 4.114 889 2HA GLY 107 HA1 GLY 107 7.318 -14.195 5.420 890 H LEU 108 HN LEU 108 7.687 -10.754 5.311 891 HA LEU 108 HA LEU 108 6.863 -9.042 6.517 892 1HB LEU 108 HB2 LEU 108 4.631 -10.829 6.346 893 2HB LEU 108 HB1 LEU 108 4.657 -10.061 7.927 894 HG LEU 108 HG LEU 108 4.804 -8.581 5.312 895 1HD1 LEU 108 HD11 LEU 108 2.606 -8.902 5.162 896 2HD1 LEU 108 HD12 LEU 108 2.438 -7.921 6.618 897 3HD1 LEU 108 HD13 LEU 108 2.545 -9.677 6.745 898 1HD2 LEU 108 HD21 LEU 108 4.606 -7.691 8.176 899 2HD2 LEU 108 HD22 LEU 108 4.262 -6.635 6.806 900 3HD2 LEU 108 HD23 LEU 108 5.875 -7.326 7.005 901 H ALA 109 HN ALA 109 8.285 -8.619 7.997 902 HA ALA 109 HA ALA 109 9.153 -10.299 10.049 903 1HB ALA 109 HB1 ALA 109 10.666 -8.691 10.286 904 2HB ALA 109 HB2 ALA 109 9.432 -7.537 10.792 905 3HB ALA 109 HB3 ALA 109 9.787 -7.753 9.077 906 H LYS 110 HN LYS 110 8.779 -10.297 12.290 907 HA LYS 110 HA LYS 110 6.053 -9.532 13.013 908 1HB LYS 110 HB2 LYS 110 8.072 -11.387 14.264 909 2HB LYS 110 HB1 LYS 110 6.585 -10.930 15.082 910 1HG LYS 110 HG2 LYS 110 5.847 -12.829 14.109 911 2HG LYS 110 HG1 LYS 110 5.544 -11.728 12.763 912 1HD LYS 110 HD2 LYS 110 7.194 -12.615 11.497 913 2HD LYS 110 HD1 LYS 110 8.253 -12.884 12.883 914 1HE LYS 110 HE2 LYS 110 7.279 -14.926 13.393 915 2HE LYS 110 HE1 LYS 110 5.791 -14.545 12.529 916 1HZ LYS 110 HZ1 LYS 110 8.087 -14.579 10.815 917 2HZ LYS 110 HZ2 LYS 110 6.607 -15.380 10.650 918 3HZ LYS 110 HZ3 LYS 110 7.839 -16.066 11.584 Start of MODEL 10 1 1H ALA 1 HT1 ALA 1 -13.779 12.462 -27.488 2 2H ALA 1 HT2 ALA 1 -13.871 11.860 -29.092 3 3H ALA 1 HT3 ALA 1 -12.347 12.245 -28.403 4 HA ALA 1 HA ALA 1 -14.182 10.083 -27.631 5 1HB ALA 1 HB1 ALA 1 -11.660 10.269 -29.180 6 2HB ALA 1 HB2 ALA 1 -13.050 9.203 -29.396 7 3HB ALA 1 HB3 ALA 1 -11.873 8.872 -28.125 8 H THR 2 HN THR 2 -13.574 8.842 -25.831 9 HA THR 2 HA THR 2 -11.750 10.225 -23.975 10 HB THR 2 HB THR 2 -13.929 10.334 -23.056 11 HG1 THR 2 HG1 THR 2 -12.401 9.617 -21.547 12 1HG2 THR 2 HG21 THR 2 -14.248 7.383 -23.546 13 2HG2 THR 2 HG22 THR 2 -15.029 8.665 -24.471 14 3HG2 THR 2 HG23 THR 2 -15.412 8.453 -22.763 15 H SER 3 HN SER 3 -9.853 9.169 -24.256 16 HA SER 3 HA SER 3 -9.859 6.237 -24.196 17 1HB SER 3 HB2 SER 3 -7.392 6.575 -24.830 18 2HB SER 3 HB1 SER 3 -8.600 7.000 -26.044 19 HG SER 3 HG SER 3 -7.318 8.811 -24.272 20 H THR 4 HN THR 4 -9.407 5.228 -22.362 21 HA THR 4 HA THR 4 -8.664 6.580 -19.999 22 HB THR 4 HB THR 4 -8.274 4.198 -19.140 23 HG1 THR 4 HG1 THR 4 -8.295 2.656 -20.541 24 1HG2 THR 4 HG21 THR 4 -10.401 4.189 -18.545 25 2HG2 THR 4 HG22 THR 4 -10.929 3.934 -20.208 26 3HG2 THR 4 HG23 THR 4 -10.642 5.570 -19.614 27 H LYS 5 HN LYS 5 -6.739 6.840 -18.977 28 HA LYS 5 HA LYS 5 -4.347 6.232 -20.551 29 1HB LYS 5 HB2 LYS 5 -5.077 8.284 -18.542 30 2HB LYS 5 HB1 LYS 5 -3.407 7.735 -18.522 31 1HG LYS 5 HG2 LYS 5 -3.159 8.342 -20.863 32 2HG LYS 5 HG1 LYS 5 -4.849 8.847 -20.922 33 1HD LYS 5 HD2 LYS 5 -4.251 10.447 -19.019 34 2HD LYS 5 HD1 LYS 5 -2.568 10.104 -19.424 35 1HE LYS 5 HE2 LYS 5 -2.801 11.842 -20.830 36 2HE LYS 5 HE1 LYS 5 -3.577 10.652 -21.874 37 1HZ LYS 5 HZ1 LYS 5 -5.601 11.548 -21.539 38 2HZ LYS 5 HZ2 LYS 5 -4.717 12.942 -21.173 39 3HZ LYS 5 HZ3 LYS 5 -5.296 11.957 -19.926 40 H LYS 6 HN LYS 6 -3.356 4.385 -20.091 41 HA LYS 6 HA LYS 6 -3.725 2.979 -17.643 42 1HB LYS 6 HB2 LYS 6 -1.786 2.578 -19.924 43 2HB LYS 6 HB1 LYS 6 -1.920 1.481 -18.557 44 1HG LYS 6 HG2 LYS 6 -3.338 0.391 -19.911 45 2HG LYS 6 HG1 LYS 6 -4.496 1.588 -19.330 46 1HD LYS 6 HD2 LYS 6 -4.613 2.621 -21.325 47 2HD LYS 6 HD1 LYS 6 -2.879 2.470 -21.614 48 1HE LYS 6 HE2 LYS 6 -3.518 -0.079 -21.912 49 2HE LYS 6 HE1 LYS 6 -5.095 0.606 -22.297 50 1HZ LYS 6 HZ1 LYS 6 -4.368 1.346 -24.257 51 2HZ LYS 6 HZ2 LYS 6 -3.062 0.292 -24.048 52 3HZ LYS 6 HZ3 LYS 6 -2.908 1.923 -23.626 53 H LEU 7 HN LEU 7 -2.898 3.692 -15.790 54 HA LEU 7 HA LEU 7 -0.227 4.917 -15.809 55 1HB LEU 7 HB2 LEU 7 -1.066 5.449 -13.332 56 2HB LEU 7 HB1 LEU 7 -1.427 6.483 -14.702 57 HG LEU 7 HG LEU 7 -3.631 5.309 -14.920 58 1HD1 LEU 7 HD11 LEU 7 -3.464 3.262 -13.889 59 2HD1 LEU 7 HD12 LEU 7 -4.290 4.203 -12.646 60 3HD1 LEU 7 HD13 LEU 7 -2.556 3.903 -12.520 61 1HD2 LEU 7 HD21 LEU 7 -4.662 6.474 -13.040 62 2HD2 LEU 7 HD22 LEU 7 -3.425 7.472 -13.806 63 3HD2 LEU 7 HD23 LEU 7 -3.081 6.658 -12.280 64 H HIS 8 HN HIS 8 1.404 3.690 -15.197 65 HA HIS 8 HA HIS 8 0.893 1.322 -13.555 66 1HB HIS 8 HB2 HIS 8 3.293 0.767 -14.174 67 2HB HIS 8 HB1 HIS 8 2.144 0.801 -15.508 68 HD1 HIS 8 HD1 HIS 8 4.664 3.158 -13.900 69 HD2 HIS 8 HD2 HIS 8 2.995 2.285 -17.603 70 HE1 HIS 8 HE1 HIS 8 5.866 4.634 -15.544 71 HE2 HIS 8 HE2 HIS 8 4.789 4.141 -17.767 72 H LYS 9 HN LYS 9 2.470 4.417 -13.492 73 HA LYS 9 HA LYS 9 3.230 3.928 -10.695 74 1HB LYS 9 HB2 LYS 9 4.892 5.020 -12.924 75 2HB LYS 9 HB1 LYS 9 5.140 5.648 -11.300 76 1HG LYS 9 HG2 LYS 9 5.278 2.736 -12.048 77 2HG LYS 9 HG1 LYS 9 6.673 3.807 -11.896 78 1HD LYS 9 HD2 LYS 9 6.741 3.200 -9.748 79 2HD LYS 9 HD1 LYS 9 5.297 4.189 -9.528 80 1HE LYS 9 HE2 LYS 9 5.138 1.840 -8.651 81 2HE LYS 9 HE1 LYS 9 3.865 2.312 -9.778 82 1HZ LYS 9 HZ1 LYS 9 6.064 1.170 -11.164 83 2HZ LYS 9 HZ2 LYS 9 4.446 0.675 -11.135 84 3HZ LYS 9 HZ3 LYS 9 5.524 0.115 -9.958 85 H GLU 10 HN GLU 10 2.236 5.302 -9.379 86 HA GLU 10 HA GLU 10 1.673 8.016 -10.341 87 1HB GLU 10 HB2 GLU 10 -0.268 6.062 -9.933 88 2HB GLU 10 HB1 GLU 10 -0.351 7.066 -8.493 89 1HG GLU 10 HG2 GLU 10 -1.880 7.751 -10.325 90 2HG GLU 10 HG1 GLU 10 -0.784 9.018 -9.780 91 HA PRO 11 HA PRO 11 3.575 8.871 -6.387 92 1HB PRO 11 HB2 PRO 11 3.893 11.503 -6.702 93 2HB PRO 11 HB1 PRO 11 4.857 10.344 -7.625 94 1HG PRO 11 HG2 PRO 11 2.508 11.968 -8.483 95 2HG PRO 11 HG1 PRO 11 3.960 11.522 -9.396 96 1HD PRO 11 HD2 PRO 11 1.478 10.261 -9.571 97 2HD PRO 11 HD1 PRO 11 3.018 9.584 -10.124 98 H ALA 12 HN ALA 12 2.926 9.616 -4.412 99 HA ALA 12 HA ALA 12 0.825 11.507 -4.049 100 1HB ALA 12 HB1 ALA 12 0.207 8.590 -3.737 101 2HB ALA 12 HB2 ALA 12 -0.687 9.819 -4.632 102 3HB ALA 12 HB3 ALA 12 -0.689 9.834 -2.869 103 H THR 13 HN THR 13 0.119 11.478 -1.629 104 HA THR 13 HA THR 13 2.509 10.861 -0.018 105 HB THR 13 HB THR 13 0.672 12.957 0.961 106 HG1 THR 13 HG1 THR 13 1.635 14.495 -0.469 107 1HG2 THR 13 HG21 THR 13 3.662 12.927 0.644 108 2HG2 THR 13 HG22 THR 13 2.790 12.422 2.092 109 3HG2 THR 13 HG23 THR 13 2.702 14.099 1.549 110 H LEU 14 HN LEU 14 2.100 9.126 1.159 111 HA LEU 14 HA LEU 14 -0.556 8.550 2.144 112 1HB LEU 14 HB2 LEU 14 0.621 6.691 1.272 113 2HB LEU 14 HB1 LEU 14 2.053 7.076 2.201 114 HG LEU 14 HG LEU 14 -0.383 6.471 3.769 115 1HD1 LEU 14 HD11 LEU 14 0.363 3.972 3.486 116 2HD1 LEU 14 HD12 LEU 14 0.904 4.537 1.906 117 3HD1 LEU 14 HD13 LEU 14 -0.789 4.703 2.370 118 1HD2 LEU 14 HD21 LEU 14 1.106 5.908 5.368 119 2HD2 LEU 14 HD22 LEU 14 2.205 6.878 4.389 120 3HD2 LEU 14 HD23 LEU 14 2.198 5.123 4.227 121 H ILE 15 HN ILE 15 -1.285 9.216 4.028 122 HA ILE 15 HA ILE 15 0.440 10.498 5.915 123 HB ILE 15 HB ILE 15 -1.588 10.789 7.290 124 1HG1 ILE 15 HG12 ILE 15 -3.738 10.147 5.815 125 2HG1 ILE 15 HG11 ILE 15 -2.664 8.843 5.319 126 1HG2 ILE 15 HG21 ILE 15 -0.902 12.201 5.217 127 2HG2 ILE 15 HG22 ILE 15 -2.474 12.459 5.974 128 3HG2 ILE 15 HG23 ILE 15 -2.353 11.505 4.495 129 1HD1 ILE 15 HD11 ILE 15 -4.106 9.229 7.802 130 2HD1 ILE 15 HD12 ILE 15 -2.398 8.873 8.054 131 3HD1 ILE 15 HD13 ILE 15 -3.400 7.767 7.114 132 H LYS 16 HN LYS 16 -1.460 7.462 5.944 133 HA LYS 16 HA LYS 16 0.433 6.060 7.449 134 1HB LYS 16 HB2 LYS 16 -0.108 6.268 9.648 135 2HB LYS 16 HB1 LYS 16 -0.634 7.856 9.118 136 1HG LYS 16 HG2 LYS 16 -2.941 6.875 8.853 137 2HG LYS 16 HG1 LYS 16 -2.330 5.440 9.676 138 1HD LYS 16 HD2 LYS 16 -3.283 6.701 11.393 139 2HD LYS 16 HD1 LYS 16 -1.562 7.070 11.510 140 1HE LYS 16 HE2 LYS 16 -3.347 8.796 9.847 141 2HE LYS 16 HE1 LYS 16 -3.322 8.993 11.599 142 1HZ LYS 16 HZ1 LYS 16 -1.640 10.383 11.126 143 2HZ LYS 16 HZ2 LYS 16 -1.302 9.668 9.631 144 3HZ LYS 16 HZ3 LYS 16 -0.714 8.967 11.054 145 H ALA 17 HN ALA 17 -0.566 4.059 8.543 146 HA ALA 17 HA ALA 17 -2.487 2.927 6.651 147 1HB ALA 17 HB1 ALA 17 -0.311 1.869 8.316 148 2HB ALA 17 HB2 ALA 17 -0.910 1.324 6.751 149 3HB ALA 17 HB3 ALA 17 -1.743 0.844 8.229 150 H ILE 18 HN ILE 18 -4.382 1.860 7.317 151 HA ILE 18 HA ILE 18 -5.384 2.773 9.919 152 HB ILE 18 HB ILE 18 -6.989 1.662 7.619 153 1HG1 ILE 18 HG12 ILE 18 -7.420 4.453 8.000 154 2HG1 ILE 18 HG11 ILE 18 -5.684 4.191 7.860 155 1HG2 ILE 18 HG21 ILE 18 -8.162 3.470 9.639 156 2HG2 ILE 18 HG22 ILE 18 -7.758 1.840 10.176 157 3HG2 ILE 18 HG23 ILE 18 -8.862 2.074 8.819 158 1HD1 ILE 18 HD11 ILE 18 -7.075 2.678 5.863 159 2HD1 ILE 18 HD12 ILE 18 -5.852 3.934 5.674 160 3HD1 ILE 18 HD13 ILE 18 -7.555 4.373 5.801 161 H ASP 19 HN ASP 19 -6.104 -0.071 7.878 162 HA ASP 19 HA ASP 19 -6.027 -1.705 10.329 163 1HB ASP 19 HB2 ASP 19 -7.770 -1.781 7.903 164 2HB ASP 19 HB1 ASP 19 -7.446 -3.285 8.760 165 H GLY 20 HN GLY 20 -3.630 -1.184 9.008 166 1HA GLY 20 HA2 GLY 20 -1.768 -2.504 8.551 167 2HA GLY 20 HA1 GLY 20 -2.827 -3.891 8.362 168 H ASP 21 HN ASP 21 -4.479 -3.299 6.370 169 HA ASP 21 HA ASP 21 -2.671 -3.004 4.092 170 1HB ASP 21 HB2 ASP 21 -4.626 -3.925 2.790 171 2HB ASP 21 HB1 ASP 21 -3.964 -5.015 4.003 172 H THR 22 HN THR 22 -5.840 -1.847 5.224 173 HA THR 22 HA THR 22 -6.222 0.044 3.167 174 HB THR 22 HB THR 22 -7.318 0.517 5.909 175 HG1 THR 22 HG1 THR 22 -7.711 -1.593 5.886 176 1HG2 THR 22 HG21 THR 22 -8.415 1.958 4.567 177 2HG2 THR 22 HG22 THR 22 -9.435 0.545 4.298 178 3HG2 THR 22 HG23 THR 22 -8.187 0.968 3.125 179 H VAL 23 HN VAL 23 -4.731 1.579 2.769 180 HA VAL 23 HA VAL 23 -3.754 3.167 5.056 181 HB VAL 23 HB VAL 23 -1.694 3.597 3.753 182 1HG1 VAL 23 HG11 VAL 23 -2.287 1.454 5.311 183 2HG1 VAL 23 HG12 VAL 23 -0.678 1.824 4.688 184 3HG1 VAL 23 HG13 VAL 23 -1.706 0.663 3.846 185 1HG2 VAL 23 HG21 VAL 23 -3.091 2.718 1.597 186 2HG2 VAL 23 HG22 VAL 23 -2.109 1.302 1.971 187 3HG2 VAL 23 HG23 VAL 23 -1.335 2.856 1.662 188 H LYS 24 HN LYS 24 -3.704 5.376 4.851 189 HA LYS 24 HA LYS 24 -5.326 6.472 2.705 190 1HB LYS 24 HB2 LYS 24 -5.893 7.259 4.883 191 2HB LYS 24 HB1 LYS 24 -4.219 7.641 5.257 192 1HG LYS 24 HG2 LYS 24 -4.238 9.574 4.005 193 2HG LYS 24 HG1 LYS 24 -5.567 9.023 2.983 194 1HD LYS 24 HD2 LYS 24 -6.174 9.339 5.857 195 2HD LYS 24 HD1 LYS 24 -5.864 10.824 4.957 196 1HE LYS 24 HE2 LYS 24 -7.514 9.662 3.230 197 2HE LYS 24 HE1 LYS 24 -8.079 8.866 4.698 198 1HZ LYS 24 HZ1 LYS 24 -7.906 11.801 4.278 199 2HZ LYS 24 HZ2 LYS 24 -8.442 11.042 5.690 200 3HZ LYS 24 HZ3 LYS 24 -9.326 10.882 4.258 201 H LEU 25 HN LEU 25 -4.530 7.412 0.972 202 HA LEU 25 HA LEU 25 -1.919 8.705 1.029 203 1HB LEU 25 HB2 LEU 25 -1.334 6.539 0.257 204 2HB LEU 25 HB1 LEU 25 -2.721 6.465 -0.801 205 HG LEU 25 HG LEU 25 -0.911 8.653 -1.471 206 1HD1 LEU 25 HD11 LEU 25 0.813 7.156 -0.707 207 2HD1 LEU 25 HD12 LEU 25 0.801 7.157 -2.472 208 3HD1 LEU 25 HD13 LEU 25 0.085 5.809 -1.589 209 1HD2 LEU 25 HD21 LEU 25 -1.082 7.079 -3.653 210 2HD2 LEU 25 HD22 LEU 25 -2.301 8.276 -3.208 211 3HD2 LEU 25 HD23 LEU 25 -2.537 6.580 -2.786 212 H MET 26 HN MET 26 -2.081 10.689 0.198 213 HA MET 26 HA MET 26 -4.459 11.509 -1.173 214 1HB MET 26 HB2 MET 26 -3.451 13.709 -1.304 215 2HB MET 26 HB1 MET 26 -3.250 13.047 0.308 216 1HG MET 26 HG2 MET 26 -0.932 12.407 -0.314 217 2HG MET 26 HG1 MET 26 -1.161 13.250 -1.843 218 1HE MET 26 HE1 MET 26 -2.829 14.605 1.475 219 2HE MET 26 HE2 MET 26 -1.442 15.390 2.231 220 3HE MET 26 HE3 MET 26 -1.458 13.639 2.020 221 H TYR 27 HN TYR 27 -4.785 10.675 -3.114 222 HA TYR 27 HA TYR 27 -2.621 10.381 -5.014 223 1HB TYR 27 HB2 TYR 27 -4.230 8.575 -4.762 224 2HB TYR 27 HB1 TYR 27 -5.553 9.665 -5.157 225 HD1 TYR 27 HD1 TYR 27 -3.246 7.301 -6.431 226 HD2 TYR 27 HD2 TYR 27 -5.447 10.775 -7.501 227 HE1 TYR 27 HE1 TYR 27 -3.022 6.701 -8.805 228 HE2 TYR 27 HE2 TYR 27 -5.242 10.194 -9.870 229 HH TYR 27 HH TYR 27 -3.620 8.824 -11.297 230 H LYS 28 HN LYS 28 -2.020 12.119 -6.108 231 HA LYS 28 HA LYS 28 -2.068 14.099 -7.237 232 1HB LYS 28 HB2 LYS 28 -3.613 12.192 -8.572 233 2HB LYS 28 HB1 LYS 28 -4.570 13.665 -8.637 234 1HG LYS 28 HG2 LYS 28 -3.255 14.542 -10.191 235 2HG LYS 28 HG1 LYS 28 -1.804 14.205 -9.245 236 1HD LYS 28 HD2 LYS 28 -3.055 11.864 -10.517 237 2HD LYS 28 HD1 LYS 28 -2.374 13.052 -11.628 238 1HE LYS 28 HE2 LYS 28 -0.772 11.275 -10.986 239 2HE LYS 28 HE1 LYS 28 -0.226 12.897 -10.563 240 1HZ LYS 28 HZ1 LYS 28 -1.715 11.619 -8.466 241 2HZ LYS 28 HZ2 LYS 28 -0.213 12.394 -8.405 242 3HZ LYS 28 HZ3 LYS 28 -0.310 10.774 -8.882 243 H GLY 29 HN GLY 29 -3.050 14.504 -4.722 244 1HA GLY 29 HA2 GLY 29 -4.052 16.308 -3.650 245 2HA GLY 29 HA1 GLY 29 -4.789 16.770 -5.175 246 H GLN 30 HN GLN 30 -5.554 13.645 -5.003 247 HA GLN 30 HA GLN 30 -7.935 14.091 -3.344 248 1HB GLN 30 HB2 GLN 30 -9.225 13.884 -5.155 249 2HB GLN 30 HB1 GLN 30 -7.806 13.665 -6.161 250 1HG GLN 30 HG2 GLN 30 -8.811 11.283 -4.710 251 2HG GLN 30 HG1 GLN 30 -9.782 11.903 -6.038 252 1HE2 GLN 30 HE21 GLN 30 -8.271 9.414 -5.793 253 2HE2 GLN 30 HE22 GLN 30 -7.180 9.390 -7.128 254 HA PRO 31 HA PRO 31 -5.801 10.527 -1.539 255 1HB PRO 31 HB2 PRO 31 -7.553 11.110 0.747 256 2HB PRO 31 HB1 PRO 31 -5.789 11.042 0.668 257 1HG PRO 31 HG2 PRO 31 -7.093 13.370 0.945 258 2HG PRO 31 HG1 PRO 31 -5.600 13.242 -0.006 259 1HD PRO 31 HD2 PRO 31 -8.441 13.323 -0.950 260 2HD PRO 31 HD1 PRO 31 -7.023 14.171 -1.597 261 H MET 32 HN MET 32 -6.275 8.501 -1.281 262 HA MET 32 HA MET 32 -9.024 7.546 -1.015 263 1HB MET 32 HB2 MET 32 -7.164 6.559 -3.192 264 2HB MET 32 HB1 MET 32 -8.815 6.036 -2.898 265 1HG MET 32 HG2 MET 32 -9.218 8.666 -3.259 266 2HG MET 32 HG1 MET 32 -7.794 8.425 -4.268 267 1HE MET 32 HE1 MET 32 -11.529 8.352 -6.161 268 2HE MET 32 HE2 MET 32 -10.288 9.500 -5.660 269 3HE MET 32 HE3 MET 32 -11.378 8.802 -4.462 270 H THR 33 HN THR 33 -9.058 5.424 -0.078 271 HA THR 33 HA THR 33 -6.544 4.731 1.211 272 HB THR 33 HB THR 33 -8.583 2.854 1.875 273 HG1 THR 33 HG1 THR 33 -10.148 4.325 2.678 274 1HG2 THR 33 HG21 THR 33 -7.142 5.026 3.304 275 2HG2 THR 33 HG22 THR 33 -7.117 3.284 3.579 276 3HG2 THR 33 HG23 THR 33 -8.520 4.234 4.071 277 H PHE 34 HN PHE 34 -5.743 2.473 1.125 278 HA PHE 34 HA PHE 34 -6.589 1.013 -1.270 279 1HB PHE 34 HB2 PHE 34 -3.720 1.763 -0.690 280 2HB PHE 34 HB1 PHE 34 -4.259 0.714 -1.993 281 HD1 PHE 34 HD1 PHE 34 -4.959 4.140 -0.688 282 HD2 PHE 34 HD2 PHE 34 -4.395 1.619 -4.064 283 HE1 PHE 34 HE1 PHE 34 -5.136 6.098 -2.184 284 HE2 PHE 34 HE2 PHE 34 -4.583 3.565 -5.554 285 HZ PHE 34 HZ PHE 34 -4.960 5.807 -4.614 286 H ARG 35 HN ARG 35 -6.099 -1.173 -1.297 287 HA ARG 35 HA ARG 35 -5.154 -2.283 1.254 288 1HB ARG 35 HB2 ARG 35 -7.469 -2.790 1.096 289 2HB ARG 35 HB1 ARG 35 -7.332 -3.225 -0.603 290 1HG ARG 35 HG2 ARG 35 -5.927 -5.171 0.087 291 2HG ARG 35 HG1 ARG 35 -6.295 -4.767 1.765 292 1HD ARG 35 HD2 ARG 35 -8.164 -5.955 1.599 293 2HD ARG 35 HD1 ARG 35 -8.754 -4.807 0.399 294 HE ARG 35 HE ARG 35 -8.489 -6.444 -1.154 295 1HH1 ARG 35 HH11 ARG 35 -6.262 -7.078 1.457 296 2HH1 ARG 35 HH12 ARG 35 -5.670 -8.549 0.761 297 1HH2 ARG 35 HH21 ARG 35 -7.712 -8.378 -2.071 298 2HH2 ARG 35 HH22 ARG 35 -6.494 -9.288 -1.241 299 H LEU 36 HN LEU 36 -3.057 -2.656 0.763 300 HA LEU 36 HA LEU 36 -2.023 -3.457 -1.688 301 1HB LEU 36 HB2 LEU 36 -0.103 -4.380 -0.255 302 2HB LEU 36 HB1 LEU 36 -0.449 -2.663 -0.181 303 HG LEU 36 HG LEU 36 -1.907 -4.156 1.849 304 1HD1 LEU 36 HD11 LEU 36 0.982 -4.044 2.469 305 2HD1 LEU 36 HD12 LEU 36 0.439 -5.353 1.418 306 3HD1 LEU 36 HD13 LEU 36 -0.258 -5.165 3.027 307 1HD2 LEU 36 HD21 LEU 36 -0.930 -2.430 3.295 308 2HD2 LEU 36 HD22 LEU 36 -1.679 -1.738 1.857 309 3HD2 LEU 36 HD23 LEU 36 0.076 -1.886 1.954 310 H LEU 37 HN LEU 37 -1.046 -5.514 -2.290 311 HA LEU 37 HA LEU 37 -2.381 -7.839 -1.114 312 1HB LEU 37 HB2 LEU 37 -2.185 -8.508 -3.792 313 2HB LEU 37 HB1 LEU 37 -3.648 -8.099 -2.922 314 HG LEU 37 HG LEU 37 -3.428 -6.887 -5.054 315 1HD1 LEU 37 HD11 LEU 37 -4.120 -5.849 -2.545 316 2HD1 LEU 37 HD12 LEU 37 -4.640 -5.282 -4.131 317 3HD1 LEU 37 HD13 LEU 37 -3.215 -4.578 -3.367 318 1HD2 LEU 37 HD21 LEU 37 -0.772 -6.587 -4.303 319 2HD2 LEU 37 HD22 LEU 37 -1.455 -4.967 -4.165 320 3HD2 LEU 37 HD23 LEU 37 -1.570 -5.845 -5.690 321 H LEU 38 HN LEU 38 -1.381 -9.898 -2.388 322 HA LEU 38 HA LEU 38 0.435 -11.242 -2.633 323 1HB LEU 38 HB2 LEU 38 1.350 -8.635 -3.678 324 2HB LEU 38 HB1 LEU 38 2.617 -9.767 -3.252 325 HG LEU 38 HG LEU 38 2.023 -9.901 -5.628 326 1HD1 LEU 38 HD11 LEU 38 1.163 -12.384 -4.155 327 2HD1 LEU 38 HD12 LEU 38 2.841 -11.886 -4.370 328 3HD1 LEU 38 HD13 LEU 38 1.853 -12.283 -5.775 329 1HD2 LEU 38 HD21 LEU 38 -0.077 -10.296 -6.428 330 2HD2 LEU 38 HD22 LEU 38 -0.486 -9.392 -4.971 331 3HD2 LEU 38 HD23 LEU 38 -0.592 -11.152 -4.975 332 H VAL 39 HN VAL 39 -0.211 -10.329 -0.049 333 HA VAL 39 HA VAL 39 2.409 -9.944 1.223 334 HB VAL 39 HB VAL 39 -0.279 -9.718 2.570 335 1HG1 VAL 39 HG11 VAL 39 2.542 -9.183 3.330 336 2HG1 VAL 39 HG12 VAL 39 1.218 -9.845 4.287 337 3HG1 VAL 39 HG13 VAL 39 1.295 -8.112 3.967 338 1HG2 VAL 39 HG21 VAL 39 -0.280 -7.379 2.190 339 2HG2 VAL 39 HG22 VAL 39 0.006 -8.135 0.622 340 3HG2 VAL 39 HG23 VAL 39 1.348 -7.417 1.513 341 H ASP 40 HN ASP 40 2.838 -11.153 3.220 342 HA ASP 40 HA ASP 40 2.476 -13.929 2.839 343 1HB ASP 40 HB2 ASP 40 3.699 -12.218 4.958 344 2HB ASP 40 HB1 ASP 40 3.381 -13.910 5.328 345 H THR 41 HN THR 41 1.854 -15.248 4.961 346 HA THR 41 HA THR 41 -0.917 -14.470 5.576 347 HB THR 41 HB THR 41 -0.727 -16.591 4.436 348 HG1 THR 41 HG1 THR 41 -1.961 -17.710 5.805 349 1HG2 THR 41 HG21 THR 41 0.435 -18.499 5.413 350 2HG2 THR 41 HG22 THR 41 1.077 -17.458 6.681 351 3HG2 THR 41 HG23 THR 41 1.554 -17.201 5.003 352 HA PRO 42 HA PRO 42 0.302 -13.968 9.822 353 1HB PRO 42 HB2 PRO 42 -2.441 -14.299 10.682 354 2HB PRO 42 HB1 PRO 42 -1.496 -12.814 10.572 355 1HG PRO 42 HG2 PRO 42 -3.631 -13.386 8.959 356 2HG PRO 42 HG1 PRO 42 -2.304 -12.308 8.496 357 1HD PRO 42 HD2 PRO 42 -2.778 -15.165 7.745 358 2HD PRO 42 HD1 PRO 42 -2.163 -13.823 6.757 359 H GLU 43 HN GLU 43 1.340 -15.643 10.735 360 HA GLU 43 HA GLU 43 1.635 -17.473 12.064 361 1HB GLU 43 HB2 GLU 43 -0.920 -16.806 12.665 362 2HB GLU 43 HB1 GLU 43 -1.163 -18.411 11.991 363 1HG GLU 43 HG2 GLU 43 -0.912 -18.634 14.342 364 2HG GLU 43 HG1 GLU 43 0.549 -19.265 13.582 365 H THR 44 HN THR 44 -0.621 -17.948 9.348 366 HA THR 44 HA THR 44 -0.048 -20.703 9.021 367 HB THR 44 HB THR 44 -0.872 -19.163 6.635 368 HG1 THR 44 HG1 THR 44 -2.049 -17.939 7.951 369 1HG2 THR 44 HG21 THR 44 -2.857 -20.954 7.334 370 2HG2 THR 44 HG22 THR 44 -1.358 -21.760 7.794 371 3HG2 THR 44 HG23 THR 44 -1.584 -21.199 6.138 372 H LYS 45 HN LYS 45 0.683 -21.337 6.602 373 HA LYS 45 HA LYS 45 3.368 -20.170 6.308 374 1HB LYS 45 HB2 LYS 45 2.290 -22.924 6.029 375 2HB LYS 45 HB1 LYS 45 3.573 -22.458 4.922 376 1HG LYS 45 HG2 LYS 45 3.772 -22.197 7.912 377 2HG LYS 45 HG1 LYS 45 4.338 -23.600 7.003 378 1HD LYS 45 HD2 LYS 45 5.323 -21.125 5.866 379 2HD LYS 45 HD1 LYS 45 5.771 -21.280 7.566 380 1HE LYS 45 HE2 LYS 45 6.653 -23.546 7.074 381 2HE LYS 45 HE1 LYS 45 6.304 -23.274 5.367 382 1HZ LYS 45 HZ1 LYS 45 7.745 -21.129 5.857 383 2HZ LYS 45 HZ2 LYS 45 8.449 -22.599 5.409 384 3HZ LYS 45 HZ3 LYS 45 8.411 -22.143 7.036 385 H HIS 46 HN HIS 46 0.535 -21.278 4.496 386 HA HIS 46 HA HIS 46 1.575 -20.559 1.941 387 1HB HIS 46 HB2 HIS 46 -0.951 -21.582 3.024 388 2HB HIS 46 HB1 HIS 46 -1.174 -20.481 1.670 389 HD1 HIS 46 HD1 HIS 46 -1.133 -21.584 -0.536 390 HD2 HIS 46 HD2 HIS 46 1.053 -23.709 2.286 391 HE1 HIS 46 HE1 HIS 46 -0.335 -23.652 -1.723 392 HE2 HIS 46 HE2 HIS 46 0.906 -24.967 0.032 393 HA PRO 47 HA PRO 47 1.135 -16.149 2.494 394 1HB PRO 47 HB2 PRO 47 1.488 -15.439 -0.123 395 2HB PRO 47 HB1 PRO 47 2.808 -15.849 0.976 396 1HG PRO 47 HG2 PRO 47 1.448 -17.559 -1.072 397 2HG PRO 47 HG1 PRO 47 3.179 -17.409 -0.709 398 1HD PRO 47 HD2 PRO 47 1.724 -19.478 0.193 399 2HD PRO 47 HD1 PRO 47 3.033 -18.767 1.161 400 H LYS 48 HN LYS 48 -1.352 -17.524 2.414 401 HA LYS 48 HA LYS 48 -2.908 -15.622 0.808 402 1HB LYS 48 HB2 LYS 48 -3.133 -18.586 0.951 403 2HB LYS 48 HB1 LYS 48 -4.626 -17.662 0.856 404 1HG LYS 48 HG2 LYS 48 -4.146 -18.138 -1.359 405 2HG LYS 48 HG1 LYS 48 -3.534 -16.495 -1.156 406 1HD LYS 48 HD2 LYS 48 -1.399 -17.122 -1.484 407 2HD LYS 48 HD1 LYS 48 -1.587 -18.601 -0.538 408 1HE LYS 48 HE2 LYS 48 -1.378 -19.609 -2.540 409 2HE LYS 48 HE1 LYS 48 -3.087 -19.204 -2.702 410 1HZ LYS 48 HZ1 LYS 48 -2.313 -18.319 -4.622 411 2HZ LYS 48 HZ2 LYS 48 -0.764 -18.020 -4.013 412 3HZ LYS 48 HZ3 LYS 48 -2.039 -16.979 -3.624 413 H LYS 49 HN LYS 49 -3.398 -14.264 2.498 414 HA LYS 49 HA LYS 49 -5.619 -14.711 4.042 415 1HB LYS 49 HB2 LYS 49 -3.193 -15.835 5.256 416 2HB LYS 49 HB1 LYS 49 -4.077 -14.744 6.314 417 1HG LYS 49 HG2 LYS 49 -5.757 -16.691 4.918 418 2HG LYS 49 HG1 LYS 49 -4.586 -17.394 6.034 419 1HD LYS 49 HD2 LYS 49 -6.705 -16.949 7.158 420 2HD LYS 49 HD1 LYS 49 -5.417 -15.941 7.821 421 1HE LYS 49 HE2 LYS 49 -7.317 -14.545 7.569 422 2HE LYS 49 HE1 LYS 49 -6.195 -14.116 6.278 423 1HZ LYS 49 HZ1 LYS 49 -8.036 -14.322 5.026 424 2HZ LYS 49 HZ2 LYS 49 -8.820 -15.346 6.119 425 3HZ LYS 49 HZ3 LYS 49 -7.658 -15.971 5.062 426 H GLY 50 HN GLY 50 -4.536 -12.629 2.588 427 1HA GLY 50 HA2 GLY 50 -4.299 -10.350 2.676 428 2HA GLY 50 HA1 GLY 50 -4.964 -10.444 4.300 429 H VAL 51 HN VAL 51 -3.698 -9.484 5.722 430 HA VAL 51 HA VAL 51 -0.773 -9.709 5.389 431 HB VAL 51 HB VAL 51 -0.831 -7.572 6.906 432 1HG1 VAL 51 HG11 VAL 51 -0.832 -7.999 4.053 433 2HG1 VAL 51 HG12 VAL 51 0.127 -6.884 5.026 434 3HG1 VAL 51 HG13 VAL 51 -1.475 -6.410 4.463 435 1HG2 VAL 51 HG21 VAL 51 -2.715 -6.288 6.947 436 2HG2 VAL 51 HG22 VAL 51 -3.461 -7.885 6.902 437 3HG2 VAL 51 HG23 VAL 51 -3.324 -6.933 5.424 438 H GLU 52 HN GLU 52 0.496 -10.027 7.226 439 HA GLU 52 HA GLU 52 -0.657 -11.624 9.261 440 1HB GLU 52 HB2 GLU 52 1.739 -11.705 8.395 441 2HB GLU 52 HB1 GLU 52 2.046 -10.292 9.392 442 1HG GLU 52 HG2 GLU 52 0.778 -12.211 11.028 443 2HG GLU 52 HG1 GLU 52 2.045 -13.039 10.125 444 H LYS 53 HN LYS 53 -0.809 -11.177 11.525 445 HA LYS 53 HA LYS 53 -1.477 -8.385 12.044 446 1HB LYS 53 HB2 LYS 53 -2.951 -10.448 12.628 447 2HB LYS 53 HB1 LYS 53 -1.872 -10.622 14.006 448 1HG LYS 53 HG2 LYS 53 -2.774 -7.900 13.769 449 2HG LYS 53 HG1 LYS 53 -4.142 -9.013 13.816 450 1HD LYS 53 HD2 LYS 53 -3.042 -10.077 15.829 451 2HD LYS 53 HD1 LYS 53 -1.931 -8.706 15.836 452 1HE LYS 53 HE2 LYS 53 -3.499 -7.873 17.252 453 2HE LYS 53 HE1 LYS 53 -4.223 -7.360 15.729 454 1HZ LYS 53 HZ1 LYS 53 -5.558 -8.704 17.564 455 2HZ LYS 53 HZ2 LYS 53 -4.937 -10.016 16.694 456 3HZ LYS 53 HZ3 LYS 53 -5.888 -8.856 15.912 457 H TYR 54 HN TYR 54 0.552 -7.437 12.284 458 HA TYR 54 HA TYR 54 2.051 -8.315 14.671 459 1HB TYR 54 HB2 TYR 54 3.972 -7.018 13.407 460 2HB TYR 54 HB1 TYR 54 3.605 -8.694 13.010 461 HD1 TYR 54 HD1 TYR 54 2.125 -9.159 11.004 462 HD2 TYR 54 HD2 TYR 54 3.806 -5.333 11.783 463 HE1 TYR 54 HE1 TYR 54 1.729 -8.514 8.662 464 HE2 TYR 54 HE2 TYR 54 3.417 -4.681 9.453 465 HH TYR 54 HH TYR 54 2.948 -6.655 7.036 466 H GLY 55 HN GLY 55 0.851 -5.579 12.790 467 1HA GLY 55 HA2 GLY 55 -0.038 -3.652 13.834 468 2HA GLY 55 HA1 GLY 55 0.958 -3.980 15.236 469 HA PRO 56 HA PRO 56 3.789 -0.761 14.375 470 1HB PRO 56 HB2 PRO 56 5.887 -2.888 14.420 471 2HB PRO 56 HB1 PRO 56 5.867 -1.311 15.230 472 1HG PRO 56 HG2 PRO 56 5.312 -3.482 16.619 473 2HG PRO 56 HG1 PRO 56 4.326 -2.023 16.840 474 1HD PRO 56 HD2 PRO 56 3.691 -4.536 15.367 475 2HD PRO 56 HD1 PRO 56 2.621 -3.493 16.326 476 H GLU 57 HN GLU 57 5.031 -3.645 12.625 477 HA GLU 57 HA GLU 57 6.320 -2.149 10.656 478 1HB GLU 57 HB2 GLU 57 6.655 -4.593 11.181 479 2HB GLU 57 HB1 GLU 57 5.214 -4.914 10.242 480 1HG GLU 57 HG2 GLU 57 7.569 -3.454 9.112 481 2HG GLU 57 HG1 GLU 57 7.423 -5.210 9.074 482 H ALA 58 HN ALA 58 2.972 -2.928 10.987 483 HA ALA 58 HA ALA 58 2.400 -2.318 8.210 484 1HB ALA 58 HB1 ALA 58 0.127 -2.947 8.697 485 2HB ALA 58 HB2 ALA 58 0.474 -2.994 10.425 486 3HB ALA 58 HB3 ALA 58 1.222 -4.167 9.342 487 H SER 59 HN SER 59 1.279 -1.095 11.369 488 HA SER 59 HA SER 59 0.219 1.284 10.132 489 1HB SER 59 HB2 SER 59 0.341 0.290 12.974 490 2HB SER 59 HB1 SER 59 -0.254 1.902 12.576 491 HG SER 59 HG SER 59 -1.280 -0.559 11.599 492 H ALA 60 HN ALA 60 3.089 0.408 11.944 493 HA ALA 60 HA ALA 60 3.870 3.177 12.288 494 1HB ALA 60 HB1 ALA 60 5.808 1.012 12.843 495 2HB ALA 60 HB2 ALA 60 4.344 1.057 13.825 496 3HB ALA 60 HB3 ALA 60 5.416 2.457 13.776 497 H PHE 61 HN PHE 61 5.246 0.337 10.563 498 HA PHE 61 HA PHE 61 7.309 1.787 9.319 499 1HB PHE 61 HB2 PHE 61 6.508 -0.865 9.378 500 2HB PHE 61 HB1 PHE 61 6.312 -0.415 7.689 501 HD1 PHE 61 HD1 PHE 61 8.145 -0.397 6.272 502 HD2 PHE 61 HD2 PHE 61 8.761 -0.313 10.482 503 HE1 PHE 61 HE1 PHE 61 10.564 -0.664 5.918 504 HE2 PHE 61 HE2 PHE 61 11.183 -0.580 10.136 505 HZ PHE 61 HZ PHE 61 12.088 -0.756 7.851 506 H THR 62 HN THR 62 3.949 1.441 8.565 507 HA THR 62 HA THR 62 4.008 2.196 5.859 508 HB THR 62 HB THR 62 1.964 2.027 8.006 509 HG1 THR 62 HG1 THR 62 2.025 1.179 5.301 510 1HG2 THR 62 HG21 THR 62 1.667 3.829 5.661 511 2HG2 THR 62 HG22 THR 62 1.010 3.972 7.291 512 3HG2 THR 62 HG23 THR 62 0.296 2.834 6.148 513 H LYS 63 HN LYS 63 3.205 4.176 8.726 514 HA LYS 63 HA LYS 63 3.395 6.603 7.177 515 1HB LYS 63 HB2 LYS 63 2.772 7.739 9.235 516 2HB LYS 63 HB1 LYS 63 1.710 6.369 8.945 517 1HG LYS 63 HG2 LYS 63 3.372 5.104 10.493 518 2HG LYS 63 HG1 LYS 63 3.811 6.728 11.026 519 1HD LYS 63 HD2 LYS 63 1.114 6.891 11.109 520 2HD LYS 63 HD1 LYS 63 1.343 5.182 11.483 521 1HE LYS 63 HE2 LYS 63 1.547 5.964 13.592 522 2HE LYS 63 HE1 LYS 63 3.212 6.251 13.085 523 1HZ LYS 63 HZ1 LYS 63 2.596 8.263 13.992 524 2HZ LYS 63 HZ2 LYS 63 1.014 8.186 13.397 525 3HZ LYS 63 HZ3 LYS 63 2.296 8.528 12.347 526 H LYS 64 HN LYS 64 5.340 4.923 9.589 527 HA LYS 64 HA LYS 64 7.158 6.999 10.126 528 1HB LYS 64 HB2 LYS 64 6.950 4.978 11.518 529 2HB LYS 64 HB1 LYS 64 7.640 4.017 10.218 530 1HG LYS 64 HG2 LYS 64 9.724 5.290 10.389 531 2HG LYS 64 HG1 LYS 64 9.029 6.231 11.710 532 1HD LYS 64 HD2 LYS 64 10.268 4.604 12.818 533 2HD LYS 64 HD1 LYS 64 8.633 3.940 12.833 534 1HE LYS 64 HE2 LYS 64 9.129 2.321 11.277 535 2HE LYS 64 HE1 LYS 64 10.451 3.252 10.575 536 1HZ LYS 64 HZ1 LYS 64 10.472 1.405 12.803 537 2HZ LYS 64 HZ2 LYS 64 11.363 2.822 13.052 538 3HZ LYS 64 HZ3 LYS 64 11.713 1.826 11.731 539 H MET 65 HN MET 65 7.378 4.290 7.818 540 HA MET 65 HA MET 65 9.901 4.902 6.794 541 1HB MET 65 HB2 MET 65 8.582 2.800 6.381 542 2HB MET 65 HB1 MET 65 7.622 3.705 5.218 543 1HG MET 65 HG2 MET 65 9.102 3.157 3.672 544 2HG MET 65 HG1 MET 65 10.268 4.188 4.498 545 1HE MET 65 HE1 MET 65 12.744 1.384 3.999 546 2HE MET 65 HE2 MET 65 12.647 3.066 4.519 547 3HE MET 65 HE3 MET 65 11.840 2.554 3.037 548 H VAL 66 HN VAL 66 6.765 6.266 6.090 549 HA VAL 66 HA VAL 66 7.785 7.768 3.818 550 HB VAL 66 HB VAL 66 5.515 8.602 3.554 551 1HG1 VAL 66 HG11 VAL 66 5.371 5.652 4.142 552 2HG1 VAL 66 HG12 VAL 66 6.187 6.320 2.729 553 3HG1 VAL 66 HG13 VAL 66 4.455 6.567 2.944 554 1HG2 VAL 66 HG21 VAL 66 4.995 8.777 5.976 555 2HG2 VAL 66 HG22 VAL 66 4.815 7.023 6.024 556 3HG2 VAL 66 HG23 VAL 66 3.720 7.993 5.041 557 H GLU 67 HN GLU 67 7.012 8.232 7.188 558 HA GLU 67 HA GLU 67 6.717 10.979 7.339 559 1HB GLU 67 HB2 GLU 67 6.939 8.910 9.153 560 2HB GLU 67 HB1 GLU 67 8.354 9.891 9.505 561 1HG GLU 67 HG2 GLU 67 6.898 11.860 9.749 562 2HG GLU 67 HG1 GLU 67 5.495 10.830 9.471 563 H ASN 68 HN ASN 68 9.580 9.132 6.689 564 HA ASN 68 HA ASN 68 11.239 11.540 6.987 565 1HB ASN 68 HB2 ASN 68 13.168 9.970 6.883 566 2HB ASN 68 HB1 ASN 68 12.085 9.649 8.234 567 1HD2 ASN 68 HD21 ASN 68 13.116 8.578 5.073 568 2HD2 ASN 68 HD22 ASN 68 12.531 6.960 5.216 569 H ALA 69 HN ALA 69 10.049 9.215 4.681 570 HA ALA 69 HA ALA 69 11.790 10.232 2.578 571 1HB ALA 69 HB1 ALA 69 11.604 7.934 2.378 572 2HB ALA 69 HB2 ALA 69 10.415 8.510 1.211 573 3HB ALA 69 HB3 ALA 69 9.891 7.933 2.792 574 H LYS 70 HN LYS 70 11.186 11.673 1.086 575 HA LYS 70 HA LYS 70 8.458 12.717 1.220 576 1HB LYS 70 HB2 LYS 70 11.097 13.811 0.456 577 2HB LYS 70 HB1 LYS 70 9.732 14.391 -0.488 578 1HG LYS 70 HG2 LYS 70 8.701 15.354 1.370 579 2HG LYS 70 HG1 LYS 70 9.675 14.419 2.507 580 1HD LYS 70 HD2 LYS 70 10.410 16.743 2.438 581 2HD LYS 70 HD1 LYS 70 11.668 15.668 1.822 582 1HE LYS 70 HE2 LYS 70 10.616 16.188 -0.494 583 2HE LYS 70 HE1 LYS 70 9.905 17.575 0.332 584 1HZ LYS 70 HZ1 LYS 70 11.921 18.562 0.610 585 2HZ LYS 70 HZ2 LYS 70 12.234 17.730 -0.829 586 3HZ LYS 70 HZ3 LYS 70 12.779 17.103 0.644 587 H LYS 71 HN LYS 71 9.141 10.175 -0.118 588 HA LYS 71 HA LYS 71 7.909 10.793 -2.691 589 1HB LYS 71 HB2 LYS 71 9.485 9.098 -3.762 590 2HB LYS 71 HB1 LYS 71 10.145 10.689 -3.404 591 1HG LYS 71 HG2 LYS 71 10.626 9.164 -1.114 592 2HG LYS 71 HG1 LYS 71 10.985 8.101 -2.478 593 1HD LYS 71 HD2 LYS 71 12.973 9.331 -1.805 594 2HD LYS 71 HD1 LYS 71 12.458 9.819 -3.421 595 1HE LYS 71 HE2 LYS 71 11.107 11.607 -1.915 596 2HE LYS 71 HE1 LYS 71 12.530 11.353 -0.904 597 1HZ LYS 71 HZ1 LYS 71 12.483 13.132 -2.831 598 2HZ LYS 71 HZ2 LYS 71 12.970 11.802 -3.756 599 3HZ LYS 71 HZ3 LYS 71 13.896 12.294 -2.429 600 H ILE 72 HN ILE 72 6.019 9.803 -2.218 601 HA ILE 72 HA ILE 72 6.153 6.923 -1.609 602 HB ILE 72 HB ILE 72 3.865 8.738 -0.856 603 1HG1 ILE 72 HG12 ILE 72 5.453 7.662 1.341 604 2HG1 ILE 72 HG11 ILE 72 6.380 8.749 0.317 605 1HG2 ILE 72 HG21 ILE 72 3.747 6.116 -1.190 606 2HG2 ILE 72 HG22 ILE 72 2.876 6.928 0.111 607 3HG2 ILE 72 HG23 ILE 72 4.411 6.127 0.445 608 1HD1 ILE 72 HD11 ILE 72 5.511 10.164 1.911 609 2HD1 ILE 72 HD12 ILE 72 3.966 9.315 1.972 610 3HD1 ILE 72 HD13 ILE 72 4.358 10.335 0.587 611 H GLU 73 HN GLU 73 6.020 6.184 -3.687 612 HA GLU 73 HA GLU 73 3.863 7.170 -5.386 613 1HB GLU 73 HB2 GLU 73 6.475 6.100 -5.853 614 2HB GLU 73 HB1 GLU 73 5.293 5.089 -6.674 615 1HG GLU 73 HG2 GLU 73 4.498 6.885 -7.965 616 2HG GLU 73 HG1 GLU 73 5.317 8.074 -6.953 617 H VAL 74 HN VAL 74 2.516 5.624 -6.546 618 HA VAL 74 HA VAL 74 2.047 3.139 -5.052 619 HB VAL 74 HB VAL 74 -0.108 5.034 -5.999 620 1HG1 VAL 74 HG11 VAL 74 -0.387 2.386 -5.827 621 2HG1 VAL 74 HG12 VAL 74 -1.678 3.512 -5.412 622 3HG1 VAL 74 HG13 VAL 74 -0.682 2.807 -4.140 623 1HG2 VAL 74 HG21 VAL 74 0.842 6.041 -4.107 624 2HG2 VAL 74 HG22 VAL 74 1.058 4.495 -3.286 625 3HG2 VAL 74 HG23 VAL 74 -0.560 5.165 -3.493 626 H GLU 75 HN GLU 75 2.315 1.505 -6.400 627 HA GLU 75 HA GLU 75 2.067 1.832 -9.255 628 1HB GLU 75 HB2 GLU 75 3.825 0.402 -8.267 629 2HB GLU 75 HB1 GLU 75 2.583 -0.655 -7.608 630 1HG GLU 75 HG2 GLU 75 2.237 -0.290 -10.447 631 2HG GLU 75 HG1 GLU 75 3.851 -0.884 -10.067 632 H PHE 76 HN PHE 76 -0.349 2.477 -8.392 633 HA PHE 76 HA PHE 76 -2.005 0.074 -8.476 634 1HB PHE 76 HB2 PHE 76 -3.421 1.149 -7.120 635 2HB PHE 76 HB1 PHE 76 -2.169 2.365 -6.953 636 HD1 PHE 76 HD1 PHE 76 -5.415 2.247 -7.025 637 HD2 PHE 76 HD2 PHE 76 -2.330 3.802 -9.507 638 HE1 PHE 76 HE1 PHE 76 -6.966 3.945 -7.876 639 HE2 PHE 76 HE2 PHE 76 -3.884 5.501 -10.375 640 HZ PHE 76 HZ PHE 76 -6.207 5.576 -9.561 641 H ASP 77 HN ASP 77 -4.052 0.170 -9.722 642 HA ASP 77 HA ASP 77 -3.505 1.201 -12.414 643 1HB ASP 77 HB2 ASP 77 -3.863 -1.283 -12.035 644 2HB ASP 77 HB1 ASP 77 -5.541 -0.900 -11.649 645 H LYS 78 HN LYS 78 -5.396 1.903 -13.697 646 HA LYS 78 HA LYS 78 -7.147 3.569 -12.047 647 1HB LYS 78 HB2 LYS 78 -5.751 4.486 -13.990 648 2HB LYS 78 HB1 LYS 78 -6.894 3.672 -15.050 649 1HG LYS 78 HG2 LYS 78 -7.591 5.923 -14.882 650 2HG LYS 78 HG1 LYS 78 -8.719 4.968 -13.918 651 1HD LYS 78 HD2 LYS 78 -6.432 5.896 -12.375 652 2HD LYS 78 HD1 LYS 78 -7.355 7.223 -13.083 653 1HE LYS 78 HE2 LYS 78 -9.419 6.207 -12.127 654 2HE LYS 78 HE1 LYS 78 -8.402 5.020 -11.311 655 1HZ LYS 78 HZ1 LYS 78 -8.490 6.535 -9.667 656 2HZ LYS 78 HZ2 LYS 78 -8.827 7.829 -10.703 657 3HZ LYS 78 HZ3 LYS 78 -7.237 7.275 -10.530 658 H GLY 79 HN GLY 79 -7.593 0.715 -12.289 659 1HA GLY 79 HA2 GLY 79 -10.392 0.781 -12.941 660 2HA GLY 79 HA1 GLY 79 -9.442 -0.204 -14.049 661 H GLN 80 HN GLN 80 -8.658 0.236 -10.696 662 HA GLN 80 HA GLN 80 -8.641 -2.590 -10.278 663 1HB GLN 80 HB2 GLN 80 -7.592 -0.244 -8.957 664 2HB GLN 80 HB1 GLN 80 -8.328 -1.334 -7.795 665 1HG GLN 80 HG2 GLN 80 -5.949 -1.714 -9.531 666 2HG GLN 80 HG1 GLN 80 -6.169 -2.066 -7.820 667 1HE2 GLN 80 HE21 GLN 80 -5.265 -3.637 -10.270 668 2HE2 GLN 80 HE22 GLN 80 -6.161 -5.109 -10.163 669 H ARG 81 HN ARG 81 -10.121 -3.787 -9.472 670 HA ARG 81 HA ARG 81 -12.737 -2.835 -8.932 671 1HB ARG 81 HB2 ARG 81 -12.219 -5.098 -9.833 672 2HB ARG 81 HB1 ARG 81 -11.574 -5.542 -8.259 673 1HG ARG 81 HG2 ARG 81 -13.847 -4.977 -7.312 674 2HG ARG 81 HG1 ARG 81 -14.416 -4.894 -8.981 675 1HD ARG 81 HD2 ARG 81 -12.989 -7.289 -8.807 676 2HD ARG 81 HD1 ARG 81 -13.926 -7.200 -7.316 677 HE ARG 81 HE ARG 81 -14.931 -7.613 -9.969 678 1HH1 ARG 81 HH11 ARG 81 -15.712 -6.396 -6.792 679 2HH1 ARG 81 HH12 ARG 81 -17.417 -6.635 -6.983 680 1HH2 ARG 81 HH21 ARG 81 -17.172 -7.929 -10.222 681 2HH2 ARG 81 HH22 ARG 81 -18.245 -7.506 -8.929 682 H THR 82 HN THR 82 -12.428 -1.284 -7.262 683 HA THR 82 HA THR 82 -11.779 -2.404 -4.623 684 HB THR 82 HB THR 82 -10.427 -0.471 -5.326 685 HG1 THR 82 HG1 THR 82 -12.218 0.283 -3.267 686 1HG2 THR 82 HG21 THR 82 -12.960 0.616 -6.112 687 2HG2 THR 82 HG22 THR 82 -11.330 1.201 -6.449 688 3HG2 THR 82 HG23 THR 82 -12.154 1.687 -4.966 689 H ASP 83 HN ASP 83 -13.051 -1.545 -2.779 690 HA ASP 83 HA ASP 83 -15.789 -2.030 -3.128 691 1HB ASP 83 HB2 ASP 83 -14.133 -1.887 -0.974 692 2HB ASP 83 HB1 ASP 83 -15.038 -0.388 -0.791 693 H LYS 84 HN LYS 84 -14.387 1.050 -2.005 694 HA LYS 84 HA LYS 84 -16.355 2.462 -3.677 695 1HB LYS 84 HB2 LYS 84 -15.716 2.888 -0.767 696 2HB LYS 84 HB1 LYS 84 -16.380 4.184 -1.752 697 1HG LYS 84 HG2 LYS 84 -18.381 3.403 -1.194 698 2HG LYS 84 HG1 LYS 84 -18.052 2.061 -2.291 699 1HD LYS 84 HD2 LYS 84 -18.589 0.930 -0.361 700 2HD LYS 84 HD1 LYS 84 -16.835 1.050 -0.203 701 1HE LYS 84 HE2 LYS 84 -16.990 2.805 1.357 702 2HE LYS 84 HE1 LYS 84 -18.685 3.104 0.973 703 1HZ LYS 84 HZ1 LYS 84 -18.301 1.916 3.105 704 2HZ LYS 84 HZ2 LYS 84 -17.701 0.600 2.226 705 3HZ LYS 84 HZ3 LYS 84 -19.310 1.085 2.031 706 H TYR 85 HN TYR 85 -13.656 3.292 -1.495 707 HA TYR 85 HA TYR 85 -12.032 4.261 -3.661 708 1HB TYR 85 HB2 TYR 85 -13.514 6.170 -1.888 709 2HB TYR 85 HB1 TYR 85 -11.917 6.604 -2.500 710 HD1 TYR 85 HD1 TYR 85 -15.148 7.320 -3.034 711 HD2 TYR 85 HD2 TYR 85 -11.862 5.726 -5.213 712 HE1 TYR 85 HE1 TYR 85 -16.178 8.082 -5.134 713 HE2 TYR 85 HE2 TYR 85 -12.881 6.483 -7.318 714 HH TYR 85 HH TYR 85 -14.945 8.676 -7.678 715 H GLY 86 HN GLY 86 -11.985 2.479 -1.226 716 1HA GLY 86 HA2 GLY 86 -9.517 3.612 -0.126 717 2HA GLY 86 HA1 GLY 86 -10.748 3.004 0.957 718 H ARG 87 HN ARG 87 -10.941 0.953 -1.566 719 HA ARG 87 HA ARG 87 -8.918 -0.808 -0.355 720 1HB ARG 87 HB2 ARG 87 -11.700 -1.344 -1.292 721 2HB ARG 87 HB1 ARG 87 -10.513 -2.642 -1.335 722 1HG ARG 87 HG2 ARG 87 -12.030 -2.280 0.772 723 2HG ARG 87 HG1 ARG 87 -10.341 -2.758 0.944 724 1HD ARG 87 HD2 ARG 87 -9.670 -0.602 1.583 725 2HD ARG 87 HD1 ARG 87 -11.135 0.133 0.942 726 HE ARG 87 HE ARG 87 -12.141 -0.216 2.940 727 1HH1 ARG 87 HH11 ARG 87 -9.434 -2.407 2.691 728 2HH1 ARG 87 HH12 ARG 87 -9.609 -3.008 4.305 729 1HH2 ARG 87 HH21 ARG 87 -12.370 -1.003 5.067 730 2HH2 ARG 87 HH22 ARG 87 -11.276 -2.210 5.655 731 H TRP 88 HN TRP 88 -8.156 0.878 -2.306 732 HA TRP 88 HA TRP 88 -8.118 -0.435 -4.873 733 1HB TRP 88 HB2 TRP 88 -6.848 2.024 -3.693 734 2HB TRP 88 HB1 TRP 88 -6.336 1.422 -5.264 735 HD1 TRP 88 HD1 TRP 88 -9.303 3.077 -3.503 736 HE1 TRP 88 HE1 TRP 88 -10.881 4.041 -5.290 737 HE3 TRP 88 HE3 TRP 88 -7.077 1.135 -7.662 738 HZ2 TRP 88 HZ2 TRP 88 -11.146 3.978 -8.109 739 HZ3 TRP 88 HZ3 TRP 88 -8.042 1.627 -9.862 740 HH2 TRP 88 HH2 TRP 88 -10.039 3.022 -10.085 741 H LEU 89 HN LEU 89 -6.197 -1.382 -5.823 742 HA LEU 89 HA LEU 89 -4.561 -2.720 -3.862 743 1HB LEU 89 HB2 LEU 89 -3.904 -4.109 -5.542 744 2HB LEU 89 HB1 LEU 89 -5.378 -3.499 -6.266 745 HG LEU 89 HG LEU 89 -3.843 -3.446 -8.012 746 1HD1 LEU 89 HD11 LEU 89 -3.080 -0.729 -7.430 747 2HD1 LEU 89 HD12 LEU 89 -4.767 -1.014 -7.025 748 3HD1 LEU 89 HD13 LEU 89 -4.183 -1.351 -8.653 749 1HD2 LEU 89 HD21 LEU 89 -1.652 -1.954 -6.817 750 2HD2 LEU 89 HD22 LEU 89 -1.629 -3.434 -7.776 751 3HD2 LEU 89 HD23 LEU 89 -1.929 -3.513 -6.039 752 H ALA 90 HN ALA 90 -2.211 -2.626 -3.787 753 HA ALA 90 HA ALA 90 -0.608 -0.804 -5.115 754 1HB ALA 90 HB1 ALA 90 -2.044 0.397 -2.780 755 2HB ALA 90 HB2 ALA 90 -1.755 1.073 -4.383 756 3HB ALA 90 HB3 ALA 90 -0.430 0.951 -3.226 757 H TYR 91 HN TYR 91 1.462 -0.422 -4.100 758 HA TYR 91 HA TYR 91 2.067 -2.446 -2.052 759 1HB TYR 91 HB2 TYR 91 3.697 -1.394 -4.363 760 2HB TYR 91 HB1 TYR 91 4.427 -2.282 -3.030 761 HD1 TYR 91 HD1 TYR 91 4.989 -4.408 -3.706 762 HD2 TYR 91 HD2 TYR 91 1.279 -2.774 -5.015 763 HE1 TYR 91 HE1 TYR 91 4.447 -6.535 -4.814 764 HE2 TYR 91 HE2 TYR 91 0.731 -4.898 -6.123 765 HH TYR 91 HH TYR 91 2.370 -6.941 -7.104 766 H ILE 92 HN ILE 92 2.642 0.838 -3.159 767 HA ILE 92 HA ILE 92 3.362 2.720 -2.111 768 HB ILE 92 HB ILE 92 2.795 1.259 0.465 769 1HG1 ILE 92 HG12 ILE 92 0.639 2.932 -0.124 770 2HG1 ILE 92 HG11 ILE 92 1.002 2.135 -1.651 771 1HG2 ILE 92 HG21 ILE 92 2.709 4.205 -0.163 772 2HG2 ILE 92 HG22 ILE 92 4.061 3.386 0.619 773 3HG2 ILE 92 HG23 ILE 92 2.487 3.445 1.413 774 1HD1 ILE 92 HD11 ILE 92 -0.650 0.876 -0.451 775 2HD1 ILE 92 HD12 ILE 92 0.388 0.801 0.973 776 3HD1 ILE 92 HD13 ILE 92 0.854 -0.043 -0.504 777 H TYR 93 HN TYR 93 5.365 3.465 -1.861 778 HA TYR 93 HA TYR 93 7.234 2.083 -0.125 779 1HB TYR 93 HB2 TYR 93 9.001 2.214 -1.979 780 2HB TYR 93 HB1 TYR 93 7.827 0.907 -2.061 781 HD1 TYR 93 HD1 TYR 93 6.523 0.611 -3.981 782 HD2 TYR 93 HD2 TYR 93 8.603 4.281 -3.412 783 HE1 TYR 93 HE1 TYR 93 5.961 1.280 -6.277 784 HE2 TYR 93 HE2 TYR 93 8.045 4.959 -5.707 785 HH TYR 93 HH TYR 93 5.720 3.391 -7.575 786 H ALA 94 HN ALA 94 8.790 3.373 0.727 787 HA ALA 94 HA ALA 94 8.660 6.218 -0.025 788 1HB ALA 94 HB1 ALA 94 8.462 4.907 2.514 789 2HB ALA 94 HB2 ALA 94 8.284 6.620 2.129 790 3HB ALA 94 HB3 ALA 94 9.876 5.963 2.507 791 H ASP 95 HN ASP 95 10.383 6.954 -1.051 792 HA ASP 95 HA ASP 95 12.563 7.393 -1.578 793 1HB ASP 95 HB2 ASP 95 12.785 6.539 1.039 794 2HB ASP 95 HB1 ASP 95 13.866 5.448 0.178 795 H GLY 96 HN GLY 96 10.876 5.024 -2.497 796 1HA GLY 96 HA2 GLY 96 11.339 3.763 -4.448 797 2HA GLY 96 HA1 GLY 96 13.041 3.768 -4.017 798 H LYS 97 HN LYS 97 12.117 3.002 -1.174 799 HA LYS 97 HA LYS 97 11.954 0.128 -1.759 800 1HB LYS 97 HB2 LYS 97 12.717 -0.094 0.657 801 2HB LYS 97 HB1 LYS 97 13.884 0.571 -0.479 802 1HG LYS 97 HG2 LYS 97 12.207 2.555 0.891 803 2HG LYS 97 HG1 LYS 97 13.309 1.647 1.927 804 1HD LYS 97 HD2 LYS 97 14.104 3.130 -0.577 805 2HD LYS 97 HD1 LYS 97 14.312 3.732 1.069 806 1HE LYS 97 HE2 LYS 97 15.409 1.061 0.695 807 2HE LYS 97 HE1 LYS 97 16.144 2.254 -0.374 808 1HZ LYS 97 HZ1 LYS 97 17.337 2.107 1.710 809 2HZ LYS 97 HZ2 LYS 97 15.933 2.467 2.580 810 3HZ LYS 97 HZ3 LYS 97 16.617 3.632 1.563 811 H MET 98 HN MET 98 10.219 -1.018 -1.236 812 HA MET 98 HA MET 98 7.872 0.228 -0.243 813 1HB MET 98 HB2 MET 98 8.592 -2.650 -0.772 814 2HB MET 98 HB1 MET 98 7.006 -2.164 -0.190 815 1HG MET 98 HG2 MET 98 6.479 -1.064 -2.166 816 2HG MET 98 HG1 MET 98 8.167 -0.948 -2.663 817 1HE MET 98 HE1 MET 98 8.923 -2.767 -4.816 818 2HE MET 98 HE2 MET 98 7.717 -1.481 -4.848 819 3HE MET 98 HE3 MET 98 7.338 -3.061 -5.533 820 H VAL 99 HN VAL 99 6.741 -0.158 1.694 821 HA VAL 99 HA VAL 99 8.438 -0.418 3.995 822 HB VAL 99 HB VAL 99 6.425 0.019 5.311 823 1HG1 VAL 99 HG11 VAL 99 6.367 2.228 4.812 824 2HG1 VAL 99 HG12 VAL 99 6.110 1.947 3.090 825 3HG1 VAL 99 HG13 VAL 99 7.723 1.776 3.780 826 1HG2 VAL 99 HG21 VAL 99 5.054 -0.438 2.686 827 2HG2 VAL 99 HG22 VAL 99 4.320 0.585 3.922 828 3HG2 VAL 99 HG23 VAL 99 4.675 -1.106 4.274 829 H ASN 100 HN ASN 100 5.763 -2.308 2.615 830 HA ASN 100 HA ASN 100 5.967 -4.334 4.653 831 1HB ASN 100 HB2 ASN 100 3.851 -3.629 3.361 832 2HB ASN 100 HB1 ASN 100 4.478 -4.629 2.054 833 1HD2 ASN 100 HD21 ASN 100 4.995 -6.885 2.623 834 2HD2 ASN 100 HD22 ASN 100 3.970 -7.692 3.757 835 H GLU 101 HN GLU 101 7.080 -3.896 1.357 836 HA GLU 101 HA GLU 101 7.892 -6.593 0.951 837 1HB GLU 101 HB2 GLU 101 7.603 -4.387 -0.659 838 2HB GLU 101 HB1 GLU 101 9.350 -4.563 -0.578 839 1HG GLU 101 HG2 GLU 101 8.710 -7.100 -1.068 840 2HG GLU 101 HG1 GLU 101 7.320 -6.316 -1.816 841 H ALA 102 HN ALA 102 9.160 -4.193 2.925 842 HA ALA 102 HA ALA 102 11.932 -5.011 2.620 843 1HB ALA 102 HB1 ALA 102 12.036 -3.345 4.701 844 2HB ALA 102 HB2 ALA 102 10.514 -2.809 3.990 845 3HB ALA 102 HB3 ALA 102 11.993 -2.787 3.029 846 H LEU 103 HN LEU 103 9.863 -4.621 5.507 847 HA LEU 103 HA LEU 103 11.390 -6.208 7.189 848 1HB LEU 103 HB2 LEU 103 8.689 -5.084 7.219 849 2HB LEU 103 HB1 LEU 103 8.843 -6.552 8.164 850 HG LEU 103 HG LEU 103 9.213 -4.783 9.675 851 1HD1 LEU 103 HD11 LEU 103 11.150 -5.465 10.612 852 2HD1 LEU 103 HD12 LEU 103 12.070 -5.278 9.118 853 3HD1 LEU 103 HD13 LEU 103 11.054 -6.700 9.357 854 1HD2 LEU 103 HD21 LEU 103 11.120 -3.116 9.130 855 2HD2 LEU 103 HD22 LEU 103 9.532 -2.878 8.402 856 3HD2 LEU 103 HD23 LEU 103 10.836 -3.600 7.459 857 H VAL 104 HN VAL 104 9.089 -7.186 4.773 858 HA VAL 104 HA VAL 104 8.541 -9.778 5.764 859 HB VAL 104 HB VAL 104 7.895 -10.321 3.411 860 1HG1 VAL 104 HG11 VAL 104 6.095 -9.578 4.629 861 2HG1 VAL 104 HG12 VAL 104 6.140 -8.377 3.338 862 3HG1 VAL 104 HG13 VAL 104 6.810 -7.993 4.923 863 1HG2 VAL 104 HG21 VAL 104 8.911 -7.531 2.953 864 2HG2 VAL 104 HG22 VAL 104 7.795 -8.340 1.854 865 3HG2 VAL 104 HG23 VAL 104 9.399 -9.015 2.138 866 H ARG 105 HN ARG 105 11.447 -8.540 4.693 867 HA ARG 105 HA ARG 105 12.647 -10.301 3.030 868 1HB ARG 105 HB2 ARG 105 14.759 -9.897 4.354 869 2HB ARG 105 HB1 ARG 105 13.898 -8.456 3.832 870 1HG ARG 105 HG2 ARG 105 12.823 -8.962 6.315 871 2HG ARG 105 HG1 ARG 105 14.524 -9.389 6.510 872 1HD ARG 105 HD2 ARG 105 14.515 -7.002 5.054 873 2HD ARG 105 HD1 ARG 105 13.292 -6.791 6.307 874 HE ARG 105 HE ARG 105 16.085 -6.759 6.675 875 1HH1 ARG 105 HH11 ARG 105 13.171 -7.956 8.177 876 2HH1 ARG 105 HH12 ARG 105 13.834 -7.922 9.777 877 1HH2 ARG 105 HH21 ARG 105 16.958 -6.715 8.779 878 2HH2 ARG 105 HH22 ARG 105 15.981 -7.216 10.119 879 H GLN 106 HN GLN 106 12.149 -10.820 6.515 880 HA GLN 106 HA GLN 106 12.839 -13.653 6.079 881 1HB GLN 106 HB2 GLN 106 13.406 -13.603 8.590 882 2HB GLN 106 HB1 GLN 106 14.550 -12.885 7.465 883 1HG GLN 106 HG2 GLN 106 14.192 -11.540 9.502 884 2HG GLN 106 HG1 GLN 106 13.800 -10.677 8.015 885 1HE2 GLN 106 HE21 GLN 106 12.009 -9.575 8.055 886 2HE2 GLN 106 HE22 GLN 106 10.624 -9.893 9.036 887 H GLY 107 HN GLY 107 10.227 -11.875 6.309 888 1HA GLY 107 HA2 GLY 107 8.119 -13.061 6.619 889 2HA GLY 107 HA1 GLY 107 8.835 -13.834 8.025 890 H LEU 108 HN LEU 108 9.333 -10.453 7.404 891 HA LEU 108 HA LEU 108 8.713 -8.569 8.502 892 1HB LEU 108 HB2 LEU 108 6.237 -10.230 8.847 893 2HB LEU 108 HB1 LEU 108 6.362 -8.621 9.536 894 HG LEU 108 HG LEU 108 6.969 -8.987 6.645 895 1HD1 LEU 108 HD11 LEU 108 4.737 -8.985 5.971 896 2HD1 LEU 108 HD12 LEU 108 4.154 -8.546 7.576 897 3HD1 LEU 108 HD13 LEU 108 4.777 -10.168 7.277 898 1HD2 LEU 108 HD21 LEU 108 6.322 -6.817 8.507 899 2HD2 LEU 108 HD22 LEU 108 5.502 -6.719 6.948 900 3HD2 LEU 108 HD23 LEU 108 7.263 -6.797 7.015 901 H ALA 109 HN ALA 109 10.005 -8.201 10.150 902 HA ALA 109 HA ALA 109 10.329 -9.856 12.400 903 1HB ALA 109 HB1 ALA 109 11.684 -7.739 11.363 904 2HB ALA 109 HB2 ALA 109 11.991 -8.451 12.947 905 3HB ALA 109 HB3 ALA 109 10.966 -7.023 12.806 906 H LYS 110 HN LYS 110 8.848 -10.256 13.901 907 HA LYS 110 HA LYS 110 7.291 -8.000 14.967 908 1HB LYS 110 HB2 LYS 110 5.390 -9.667 15.271 909 2HB LYS 110 HB1 LYS 110 5.701 -9.119 13.628 910 1HG LYS 110 HG2 LYS 110 6.470 -11.156 12.943 911 2HG LYS 110 HG1 LYS 110 7.029 -11.610 14.554 912 1HD LYS 110 HD2 LYS 110 4.455 -11.539 15.104 913 2HD LYS 110 HD1 LYS 110 4.304 -11.794 13.364 914 1HE LYS 110 HE2 LYS 110 5.568 -13.818 13.480 915 2HE LYS 110 HE1 LYS 110 5.991 -13.519 15.165 916 1HZ LYS 110 HZ1 LYS 110 4.112 -15.159 14.650 917 2HZ LYS 110 HZ2 LYS 110 3.170 -13.788 14.345 918 3HZ LYS 110 HZ3 LYS 110 3.857 -14.018 15.873 Start of MODEL 11 1 1H ALA 1 HT1 ALA 1 -10.648 -14.934 -21.072 2 2H ALA 1 HT2 ALA 1 -9.749 -14.673 -19.634 3 3H ALA 1 HT3 ALA 1 -8.946 -15.135 -21.080 4 HA ALA 1 HA ALA 1 -9.253 -13.123 -22.064 5 1HB ALA 1 HB1 ALA 1 -11.422 -12.488 -21.875 6 2HB ALA 1 HB2 ALA 1 -10.733 -11.417 -20.654 7 3HB ALA 1 HB3 ALA 1 -11.518 -12.919 -20.167 8 H THR 2 HN THR 2 -7.897 -11.401 -21.692 9 HA THR 2 HA THR 2 -6.907 -11.030 -18.951 10 HB THR 2 HB THR 2 -5.103 -11.165 -21.371 11 HG1 THR 2 HG1 THR 2 -4.485 -13.194 -20.538 12 1HG2 THR 2 HG21 THR 2 -3.788 -11.759 -18.936 13 2HG2 THR 2 HG22 THR 2 -4.660 -10.238 -18.738 14 3HG2 THR 2 HG23 THR 2 -3.499 -10.426 -20.052 15 H SER 3 HN SER 3 -8.052 -9.093 -18.804 16 HA SER 3 HA SER 3 -7.993 -7.040 -20.734 17 1HB SER 3 HB2 SER 3 -8.840 -7.296 -17.905 18 2HB SER 3 HB1 SER 3 -8.469 -5.662 -18.456 19 HG SER 3 HG SER 3 -10.284 -7.466 -19.688 20 H THR 4 HN THR 4 -6.722 -5.243 -20.974 21 HA THR 4 HA THR 4 -4.189 -5.269 -19.479 22 HB THR 4 HB THR 4 -3.839 -5.585 -21.838 23 HG1 THR 4 HG1 THR 4 -2.449 -3.918 -22.188 24 1HG2 THR 4 HG21 THR 4 -6.017 -3.791 -22.158 25 2HG2 THR 4 HG22 THR 4 -5.180 -4.752 -23.377 26 3HG2 THR 4 HG23 THR 4 -4.608 -3.130 -22.985 27 H LYS 5 HN LYS 5 -4.317 -3.890 -17.820 28 HA LYS 5 HA LYS 5 -5.658 -1.311 -18.214 29 1HB LYS 5 HB2 LYS 5 -5.928 -3.078 -16.180 30 2HB LYS 5 HB1 LYS 5 -4.666 -2.041 -15.527 31 1HG LYS 5 HG2 LYS 5 -6.135 -0.465 -15.020 32 2HG LYS 5 HG1 LYS 5 -6.764 -0.448 -16.669 33 1HD LYS 5 HD2 LYS 5 -8.365 -2.095 -16.194 34 2HD LYS 5 HD1 LYS 5 -7.548 -2.581 -14.707 35 1HE LYS 5 HE2 LYS 5 -8.459 -0.896 -13.496 36 2HE LYS 5 HE1 LYS 5 -8.448 0.229 -14.854 37 1HZ LYS 5 HZ1 LYS 5 -10.689 -0.604 -14.002 38 2HZ LYS 5 HZ2 LYS 5 -10.317 -2.057 -14.784 39 3HZ LYS 5 HZ3 LYS 5 -10.431 -0.624 -15.674 40 H LYS 6 HN LYS 6 -4.606 0.610 -18.009 41 HA LYS 6 HA LYS 6 -1.679 0.463 -17.806 42 1HB LYS 6 HB2 LYS 6 -3.540 2.410 -19.147 43 2HB LYS 6 HB1 LYS 6 -1.865 2.829 -18.817 44 1HG LYS 6 HG2 LYS 6 -1.213 0.762 -20.096 45 2HG LYS 6 HG1 LYS 6 -2.902 0.640 -20.593 46 1HD LYS 6 HD2 LYS 6 -2.289 1.937 -22.317 47 2HD LYS 6 HD1 LYS 6 -2.330 3.257 -21.146 48 1HE LYS 6 HE2 LYS 6 0.157 2.230 -20.727 49 2HE LYS 6 HE1 LYS 6 -0.048 1.961 -22.458 50 1HZ LYS 6 HZ1 LYS 6 -0.622 4.588 -21.234 51 2HZ LYS 6 HZ2 LYS 6 -0.299 4.226 -22.854 52 3HZ LYS 6 HZ3 LYS 6 0.946 4.165 -21.711 53 H LEU 7 HN LEU 7 -0.987 0.857 -15.806 54 HA LEU 7 HA LEU 7 -2.409 2.804 -14.146 55 1HB LEU 7 HB2 LEU 7 -0.813 1.905 -12.360 56 2HB LEU 7 HB1 LEU 7 -2.080 0.839 -12.935 57 HG LEU 7 HG LEU 7 0.493 0.609 -14.359 58 1HD1 LEU 7 HD11 LEU 7 0.834 0.916 -11.735 59 2HD1 LEU 7 HD12 LEU 7 1.785 -0.220 -12.691 60 3HD1 LEU 7 HD13 LEU 7 0.405 -0.794 -11.755 61 1HD2 LEU 7 HD21 LEU 7 -1.481 -1.346 -13.190 62 2HD2 LEU 7 HD22 LEU 7 -0.050 -1.792 -14.117 63 3HD2 LEU 7 HD23 LEU 7 -1.341 -0.864 -14.880 64 H HIS 8 HN HIS 8 -1.490 4.662 -13.397 65 HA HIS 8 HA HIS 8 1.068 5.413 -14.625 66 1HB HIS 8 HB2 HIS 8 -1.426 6.776 -14.261 67 2HB HIS 8 HB1 HIS 8 -0.165 7.662 -13.408 68 HD1 HIS 8 HD1 HIS 8 -1.431 6.881 -16.789 69 HD2 HIS 8 HD2 HIS 8 1.925 8.646 -15.091 70 HE1 HIS 8 HE1 HIS 8 -0.276 8.080 -18.674 71 HE2 HIS 8 HE2 HIS 8 1.699 9.220 -17.602 72 H LYS 9 HN LYS 9 2.240 7.174 -13.232 73 HA LYS 9 HA LYS 9 2.545 6.035 -10.536 74 1HB LYS 9 HB2 LYS 9 4.450 7.100 -12.536 75 2HB LYS 9 HB1 LYS 9 4.789 7.507 -10.861 76 1HG LYS 9 HG2 LYS 9 5.991 5.525 -11.402 77 2HG LYS 9 HG1 LYS 9 4.674 5.084 -10.313 78 1HD LYS 9 HD2 LYS 9 3.845 4.950 -13.083 79 2HD LYS 9 HD1 LYS 9 5.262 3.941 -12.786 80 1HE LYS 9 HE2 LYS 9 4.051 2.948 -10.842 81 2HE LYS 9 HE1 LYS 9 2.620 3.851 -11.336 82 1HZ LYS 9 HZ1 LYS 9 2.827 1.456 -12.117 83 2HZ LYS 9 HZ2 LYS 9 4.004 2.016 -13.194 84 3HZ LYS 9 HZ3 LYS 9 2.424 2.613 -13.285 85 H GLU 10 HN GLU 10 1.800 7.212 -8.911 86 HA GLU 10 HA GLU 10 1.955 10.138 -9.090 87 1HB GLU 10 HB2 GLU 10 -0.450 8.451 -8.586 88 2HB GLU 10 HB1 GLU 10 -0.306 9.970 -7.711 89 1HG GLU 10 HG2 GLU 10 0.055 9.910 -10.674 90 2HG GLU 10 HG1 GLU 10 -1.562 9.898 -9.974 91 HA PRO 11 HA PRO 11 3.692 9.189 -5.041 92 1HB PRO 11 HB2 PRO 11 5.178 11.389 -4.792 93 2HB PRO 11 HB1 PRO 11 5.621 10.117 -5.937 94 1HG PRO 11 HG2 PRO 11 4.316 12.753 -6.443 95 2HG PRO 11 HG1 PRO 11 5.532 11.899 -7.408 96 1HD PRO 11 HD2 PRO 11 2.789 11.921 -7.904 97 2HD PRO 11 HD1 PRO 11 3.944 10.746 -8.560 98 H ALA 12 HN ALA 12 3.223 9.810 -2.965 99 HA ALA 12 HA ALA 12 2.106 12.347 -2.295 100 1HB ALA 12 HB1 ALA 12 0.083 11.606 -3.224 101 2HB ALA 12 HB2 ALA 12 -0.094 11.342 -1.490 102 3HB ALA 12 HB3 ALA 12 0.270 9.985 -2.557 103 H THR 13 HN THR 13 1.518 12.462 0.024 104 HA THR 13 HA THR 13 3.151 10.561 1.554 105 HB THR 13 HB THR 13 2.156 13.166 2.655 106 HG1 THR 13 HG1 THR 13 3.111 13.883 0.832 107 1HG2 THR 13 HG21 THR 13 3.616 11.263 3.834 108 2HG2 THR 13 HG22 THR 13 3.768 12.979 4.208 109 3HG2 THR 13 HG23 THR 13 4.906 12.214 3.099 110 H LEU 14 HN LEU 14 1.968 8.968 2.378 111 HA LEU 14 HA LEU 14 -0.781 9.108 2.927 112 1HB LEU 14 HB2 LEU 14 -0.612 6.913 3.718 113 2HB LEU 14 HB1 LEU 14 0.607 7.037 2.464 114 HG LEU 14 HG LEU 14 2.174 7.602 4.526 115 1HD1 LEU 14 HD11 LEU 14 0.947 7.527 6.417 116 2HD1 LEU 14 HD12 LEU 14 1.248 5.795 6.283 117 3HD1 LEU 14 HD13 LEU 14 -0.276 6.471 5.711 118 1HD2 LEU 14 HD21 LEU 14 1.247 4.903 3.580 119 2HD2 LEU 14 HD22 LEU 14 2.582 5.101 4.715 120 3HD2 LEU 14 HD23 LEU 14 2.687 5.799 3.099 121 H ILE 15 HN ILE 15 -1.892 9.680 4.715 122 HA ILE 15 HA ILE 15 -0.497 11.067 6.793 123 HB ILE 15 HB ILE 15 -2.696 11.429 7.802 124 1HG1 ILE 15 HG12 ILE 15 -4.667 10.595 6.267 125 2HG1 ILE 15 HG11 ILE 15 -3.514 9.344 5.815 126 1HG2 ILE 15 HG21 ILE 15 -3.781 12.308 5.508 127 2HG2 ILE 15 HG22 ILE 15 -2.123 12.034 4.976 128 3HG2 ILE 15 HG23 ILE 15 -2.446 13.117 6.329 129 1HD1 ILE 15 HD11 ILE 15 -3.943 8.221 7.673 130 2HD1 ILE 15 HD12 ILE 15 -5.210 9.396 8.035 131 3HD1 ILE 15 HD13 ILE 15 -3.579 9.636 8.662 132 H LYS 16 HN LYS 16 -2.243 7.994 6.537 133 HA LYS 16 HA LYS 16 -0.656 6.677 8.415 134 1HB LYS 16 HB2 LYS 16 -2.892 8.192 9.583 135 2HB LYS 16 HB1 LYS 16 -2.793 6.517 10.096 136 1HG LYS 16 HG2 LYS 16 -1.101 6.954 11.457 137 2HG LYS 16 HG1 LYS 16 -0.202 7.781 10.183 138 1HD LYS 16 HD2 LYS 16 -1.630 9.795 10.600 139 2HD LYS 16 HD1 LYS 16 -2.313 8.951 11.991 140 1HE LYS 16 HE2 LYS 16 0.644 9.134 11.789 141 2HE LYS 16 HE1 LYS 16 -0.244 10.596 12.216 142 1HZ LYS 16 HZ1 LYS 16 0.404 9.404 14.191 143 2HZ LYS 16 HZ2 LYS 16 -0.360 7.996 13.647 144 3HZ LYS 16 HZ3 LYS 16 -1.281 9.361 14.039 145 H ALA 17 HN ALA 17 -1.715 4.614 9.242 146 HA ALA 17 HA ALA 17 -3.193 3.448 7.012 147 1HB ALA 17 HB1 ALA 17 -1.066 2.470 8.185 148 2HB ALA 17 HB2 ALA 17 -2.358 1.401 7.639 149 3HB ALA 17 HB3 ALA 17 -2.243 1.847 9.342 150 H ILE 18 HN ILE 18 -5.130 2.306 7.271 151 HA ILE 18 HA ILE 18 -6.652 3.073 9.664 152 HB ILE 18 HB ILE 18 -7.618 2.318 6.904 153 1HG1 ILE 18 HG12 ILE 18 -8.064 4.939 8.296 154 2HG1 ILE 18 HG11 ILE 18 -6.558 4.634 7.435 155 1HG2 ILE 18 HG21 ILE 18 -9.211 3.098 9.344 156 2HG2 ILE 18 HG22 ILE 18 -9.181 1.508 8.582 157 3HG2 ILE 18 HG23 ILE 18 -9.863 2.886 7.720 158 1HD1 ILE 18 HD11 ILE 18 -8.849 3.937 5.827 159 2HD1 ILE 18 HD12 ILE 18 -7.512 5.035 5.479 160 3HD1 ILE 18 HD13 ILE 18 -8.918 5.613 6.373 161 H ASP 19 HN ASP 19 -7.071 0.437 7.299 162 HA ASP 19 HA ASP 19 -7.234 -1.432 9.574 163 1HB ASP 19 HB2 ASP 19 -9.398 -1.032 8.397 164 2HB ASP 19 HB1 ASP 19 -8.673 -1.670 6.926 165 H GLY 20 HN GLY 20 -4.770 -0.878 8.407 166 1HA GLY 20 HA2 GLY 20 -2.943 -2.230 7.884 167 2HA GLY 20 HA1 GLY 20 -4.054 -3.532 7.487 168 H ASP 21 HN ASP 21 -5.563 -2.714 5.511 169 HA ASP 21 HA ASP 21 -3.652 -2.169 3.364 170 1HB ASP 21 HB2 ASP 21 -6.389 -3.417 3.449 171 2HB ASP 21 HB1 ASP 21 -5.701 -2.852 1.930 172 H THR 22 HN THR 22 -6.526 -0.908 4.898 173 HA THR 22 HA THR 22 -7.007 1.119 2.923 174 HB THR 22 HB THR 22 -8.423 2.040 4.961 175 HG1 THR 22 HG1 THR 22 -8.923 0.472 6.432 176 1HG2 THR 22 HG21 THR 22 -10.225 0.378 4.457 177 2HG2 THR 22 HG22 THR 22 -9.073 -0.443 3.404 178 3HG2 THR 22 HG23 THR 22 -9.557 1.218 3.057 179 H VAL 23 HN VAL 23 -5.586 2.713 2.650 180 HA VAL 23 HA VAL 23 -4.584 4.109 5.041 181 HB VAL 23 HB VAL 23 -2.423 4.461 3.949 182 1HG1 VAL 23 HG11 VAL 23 -2.335 2.651 5.398 183 2HG1 VAL 23 HG12 VAL 23 -1.713 1.975 3.892 184 3HG1 VAL 23 HG13 VAL 23 -3.378 1.658 4.380 185 1HG2 VAL 23 HG21 VAL 23 -3.337 2.535 1.819 186 2HG2 VAL 23 HG22 VAL 23 -1.817 3.427 1.887 187 3HG2 VAL 23 HG23 VAL 23 -3.333 4.286 1.615 188 H LYS 24 HN LYS 24 -4.042 6.356 4.691 189 HA LYS 24 HA LYS 24 -5.394 7.481 2.322 190 1HB LYS 24 HB2 LYS 24 -6.772 8.172 4.052 191 2HB LYS 24 HB1 LYS 24 -5.440 8.331 5.191 192 1HG LYS 24 HG2 LYS 24 -4.810 10.402 4.372 193 2HG LYS 24 HG1 LYS 24 -5.610 10.143 2.823 194 1HD LYS 24 HD2 LYS 24 -6.814 11.774 4.215 195 2HD LYS 24 HD1 LYS 24 -7.789 10.343 3.880 196 1HE LYS 24 HE2 LYS 24 -8.158 10.277 6.082 197 2HE LYS 24 HE1 LYS 24 -6.508 9.671 6.215 198 1HZ LYS 24 HZ1 LYS 24 -6.021 12.260 6.174 199 2HZ LYS 24 HZ2 LYS 24 -6.356 11.429 7.608 200 3HZ LYS 24 HZ3 LYS 24 -7.577 12.312 6.839 201 H LEU 25 HN LEU 25 -4.325 8.946 1.137 202 HA LEU 25 HA LEU 25 -1.939 10.233 2.177 203 1HB LEU 25 HB2 LEU 25 -0.607 9.675 0.195 204 2HB LEU 25 HB1 LEU 25 -1.044 8.261 1.115 205 HG LEU 25 HG LEU 25 -2.848 7.822 -0.536 206 1HD1 LEU 25 HD11 LEU 25 -3.371 9.570 -1.848 207 2HD1 LEU 25 HD12 LEU 25 -2.008 9.019 -2.825 208 3HD1 LEU 25 HD13 LEU 25 -1.787 10.316 -1.647 209 1HD2 LEU 25 HD21 LEU 25 -1.240 7.043 -2.307 210 2HD2 LEU 25 HD22 LEU 25 -0.885 6.518 -0.661 211 3HD2 LEU 25 HD23 LEU 25 0.030 7.842 -1.382 212 H MET 26 HN MET 26 -1.393 12.177 1.216 213 HA MET 26 HA MET 26 -3.568 13.597 0.012 214 1HB MET 26 HB2 MET 26 -1.788 14.552 1.569 215 2HB MET 26 HB1 MET 26 -0.699 14.525 0.189 216 1HG MET 26 HG2 MET 26 -2.139 16.039 -1.023 217 2HG MET 26 HG1 MET 26 -3.314 16.011 0.291 218 1HE MET 26 HE1 MET 26 -2.671 17.701 2.822 219 2HE MET 26 HE2 MET 26 -3.687 17.747 1.382 220 3HE MET 26 HE3 MET 26 -2.658 19.123 1.780 221 H TYR 27 HN TYR 27 -4.097 12.950 -1.991 222 HA TYR 27 HA TYR 27 -2.055 12.380 -3.968 223 1HB TYR 27 HB2 TYR 27 -3.919 10.875 -3.880 224 2HB TYR 27 HB1 TYR 27 -5.066 12.202 -4.006 225 HD1 TYR 27 HD1 TYR 27 -2.571 10.207 -5.849 226 HD2 TYR 27 HD2 TYR 27 -5.665 13.108 -6.126 227 HE1 TYR 27 HE1 TYR 27 -2.608 9.924 -8.291 228 HE2 TYR 27 HE2 TYR 27 -5.712 12.842 -8.568 229 HH TYR 27 HH TYR 27 -5.091 11.249 -10.259 230 H LYS 28 HN LYS 28 -1.134 14.043 -4.952 231 HA LYS 28 HA LYS 28 -0.812 16.058 -5.971 232 1HB LYS 28 HB2 LYS 28 -2.539 14.580 -7.450 233 2HB LYS 28 HB1 LYS 28 -3.488 16.041 -7.215 234 1HG LYS 28 HG2 LYS 28 -2.408 16.643 -9.106 235 2HG LYS 28 HG1 LYS 28 -1.193 17.173 -7.940 236 1HD LYS 28 HD2 LYS 28 -0.955 14.360 -8.720 237 2HD LYS 28 HD1 LYS 28 -0.730 15.497 -10.050 238 1HE LYS 28 HE2 LYS 28 1.200 16.315 -9.199 239 2HE LYS 28 HE1 LYS 28 0.651 16.165 -7.531 240 1HZ LYS 28 HZ1 LYS 28 2.497 14.593 -8.630 241 2HZ LYS 28 HZ2 LYS 28 1.116 13.665 -8.927 242 3HZ LYS 28 HZ3 LYS 28 1.509 14.111 -7.343 243 H GLY 29 HN GLY 29 -2.184 16.119 -3.348 244 1HA GLY 29 HA2 GLY 29 -2.568 18.170 -2.164 245 2HA GLY 29 HA1 GLY 29 -3.307 18.826 -3.617 246 H GLN 30 HN GLN 30 -4.658 15.993 -3.753 247 HA GLN 30 HA GLN 30 -6.808 16.646 -1.843 248 1HB GLN 30 HB2 GLN 30 -7.409 14.971 -4.228 249 2HB GLN 30 HB1 GLN 30 -8.435 16.106 -3.371 250 1HG GLN 30 HG2 GLN 30 -8.106 17.119 -5.420 251 2HG GLN 30 HG1 GLN 30 -6.935 17.924 -4.378 252 1HE2 GLN 30 HE21 GLN 30 -6.779 14.740 -5.914 253 2HE2 GLN 30 HE22 GLN 30 -5.356 15.064 -6.836 254 HA PRO 31 HA PRO 31 -5.129 12.704 -0.303 255 1HB PRO 31 HB2 PRO 31 -7.025 13.343 1.887 256 2HB PRO 31 HB1 PRO 31 -5.316 12.903 1.970 257 1HG PRO 31 HG2 PRO 31 -6.104 15.416 2.394 258 2HG PRO 31 HG1 PRO 31 -4.602 15.062 1.520 259 1HD PRO 31 HD2 PRO 31 -7.264 15.895 0.449 260 2HD PRO 31 HD1 PRO 31 -5.644 16.394 -0.064 261 H MET 32 HN MET 32 -5.907 10.686 -0.265 262 HA MET 32 HA MET 32 -8.784 10.195 -0.412 263 1HB MET 32 HB2 MET 32 -6.835 9.157 -2.482 264 2HB MET 32 HB1 MET 32 -8.560 8.834 -2.422 265 1HG MET 32 HG2 MET 32 -9.082 11.090 -2.952 266 2HG MET 32 HG1 MET 32 -7.404 11.586 -2.750 267 1HE MET 32 HE1 MET 32 -8.779 12.622 -4.776 268 2HE MET 32 HE2 MET 32 -9.162 11.749 -6.260 269 3HE MET 32 HE3 MET 32 -7.580 12.501 -6.063 270 H THR 33 HN THR 33 -9.256 7.837 -0.200 271 HA THR 33 HA THR 33 -7.333 6.623 1.620 272 HB THR 33 HB THR 33 -9.511 4.896 1.360 273 HG1 THR 33 HG1 THR 33 -10.441 7.565 1.529 274 1HG2 THR 33 HG21 THR 33 -10.128 6.564 3.496 275 2HG2 THR 33 HG22 THR 33 -8.368 6.574 3.385 276 3HG2 THR 33 HG23 THR 33 -9.235 5.045 3.543 277 H PHE 34 HN PHE 34 -6.695 4.363 1.332 278 HA PHE 34 HA PHE 34 -6.953 3.340 -1.368 279 1HB PHE 34 HB2 PHE 34 -4.268 3.696 -0.037 280 2HB PHE 34 HB1 PHE 34 -4.564 2.981 -1.618 281 HD1 PHE 34 HD1 PHE 34 -4.593 4.304 -3.527 282 HD2 PHE 34 HD2 PHE 34 -4.927 6.137 0.298 283 HE1 PHE 34 HE1 PHE 34 -4.363 6.526 -4.568 284 HE2 PHE 34 HE2 PHE 34 -4.704 8.347 -0.739 285 HZ PHE 34 HZ PHE 34 -4.413 8.549 -3.154 286 H ARG 35 HN ARG 35 -7.483 1.282 -1.290 287 HA ARG 35 HA ARG 35 -6.512 -0.346 0.961 288 1HB ARG 35 HB2 ARG 35 -8.841 0.074 1.351 289 2HB ARG 35 HB1 ARG 35 -9.231 -0.291 -0.320 290 1HG ARG 35 HG2 ARG 35 -8.385 -2.649 0.174 291 2HG ARG 35 HG1 ARG 35 -8.465 -2.184 1.873 292 1HD ARG 35 HD2 ARG 35 -10.628 -2.683 1.871 293 2HD ARG 35 HD1 ARG 35 -10.901 -1.386 0.709 294 HE ARG 35 HE ARG 35 -11.142 -2.958 -0.938 295 1HH1 ARG 35 HH11 ARG 35 -9.680 -4.459 1.853 296 2HH1 ARG 35 HH12 ARG 35 -9.801 -6.063 1.210 297 1HH2 ARG 35 HH21 ARG 35 -11.303 -5.064 -1.786 298 2HH2 ARG 35 HH22 ARG 35 -10.722 -6.407 -0.857 299 H LEU 36 HN LEU 36 -4.890 -1.376 -0.105 300 HA LEU 36 HA LEU 36 -5.488 -3.577 -1.713 301 1HB LEU 36 HB2 LEU 36 -5.521 -1.225 -3.191 302 2HB LEU 36 HB1 LEU 36 -3.936 -1.900 -3.509 303 HG LEU 36 HG LEU 36 -5.653 -4.070 -3.787 304 1HD1 LEU 36 HD11 LEU 36 -7.119 -2.872 -5.672 305 2HD1 LEU 36 HD12 LEU 36 -7.010 -1.548 -4.513 306 3HD1 LEU 36 HD13 LEU 36 -7.682 -3.101 -4.017 307 1HD2 LEU 36 HD21 LEU 36 -4.258 -2.237 -5.702 308 2HD2 LEU 36 HD22 LEU 36 -5.220 -3.598 -6.280 309 3HD2 LEU 36 HD23 LEU 36 -3.835 -3.882 -5.226 310 H LEU 37 HN LEU 37 -3.558 -4.663 -2.515 311 HA LEU 37 HA LEU 37 -0.937 -4.013 -2.239 312 1HB LEU 37 HB2 LEU 37 -2.099 -4.037 0.347 313 2HB LEU 37 HB1 LEU 37 -1.104 -5.472 0.233 314 HG LEU 37 HG LEU 37 0.849 -4.127 -0.311 315 1HD1 LEU 37 HD11 LEU 37 -0.643 -1.607 0.229 316 2HD1 LEU 37 HD12 LEU 37 -0.699 -2.308 -1.388 317 3HD1 LEU 37 HD13 LEU 37 0.850 -1.864 -0.672 318 1HD2 LEU 37 HD21 LEU 37 0.884 -4.350 1.942 319 2HD2 LEU 37 HD22 LEU 37 -0.724 -3.653 2.148 320 3HD2 LEU 37 HD23 LEU 37 0.664 -2.601 1.869 321 H LEU 38 HN LEU 38 -3.357 -6.453 -1.552 322 HA LEU 38 HA LEU 38 -3.516 -8.652 -2.107 323 1HB LEU 38 HB2 LEU 38 -1.177 -8.045 -3.920 324 2HB LEU 38 HB1 LEU 38 -2.167 -9.490 -3.984 325 HG LEU 38 HG LEU 38 -3.942 -7.300 -4.186 326 1HD1 LEU 38 HD11 LEU 38 -1.801 -6.061 -4.791 327 2HD1 LEU 38 HD12 LEU 38 -3.140 -5.966 -5.935 328 3HD1 LEU 38 HD13 LEU 38 -1.783 -7.047 -6.253 329 1HD2 LEU 38 HD21 LEU 38 -3.939 -8.249 -6.652 330 2HD2 LEU 38 HD22 LEU 38 -4.612 -9.171 -5.306 331 3HD2 LEU 38 HD23 LEU 38 -2.991 -9.532 -5.900 332 H VAL 39 HN VAL 39 -2.329 -8.215 0.241 333 HA VAL 39 HA VAL 39 -0.202 -10.247 0.312 334 HB VAL 39 HB VAL 39 0.869 -9.018 2.173 335 1HG1 VAL 39 HG11 VAL 39 0.703 -8.021 -0.597 336 2HG1 VAL 39 HG12 VAL 39 2.099 -8.556 0.337 337 3HG1 VAL 39 HG13 VAL 39 1.448 -6.934 0.574 338 1HG2 VAL 39 HG21 VAL 39 -1.429 -7.221 1.715 339 2HG2 VAL 39 HG22 VAL 39 0.122 -6.441 2.031 340 3HG2 VAL 39 HG23 VAL 39 -0.546 -7.582 3.198 341 H ASP 40 HN ASP 40 -1.000 -11.952 1.334 342 HA ASP 40 HA ASP 40 -2.548 -11.518 3.801 343 1HB ASP 40 HB2 ASP 40 -3.792 -13.644 3.201 344 2HB ASP 40 HB1 ASP 40 -4.164 -12.241 2.203 345 H THR 41 HN THR 41 -0.610 -13.820 1.929 346 HA THR 41 HA THR 41 0.242 -15.108 4.436 347 HB THR 41 HB THR 41 0.764 -16.137 1.652 348 HG1 THR 41 HG1 THR 41 -1.578 -16.336 3.207 349 1HG2 THR 41 HG21 THR 41 1.975 -17.358 3.277 350 2HG2 THR 41 HG22 THR 41 0.581 -18.339 2.824 351 3HG2 THR 41 HG23 THR 41 0.576 -17.448 4.346 352 HA PRO 42 HA PRO 42 4.200 -13.208 3.803 353 1HB PRO 42 HB2 PRO 42 5.555 -14.319 5.789 354 2HB PRO 42 HB1 PRO 42 4.138 -13.309 6.132 355 1HG PRO 42 HG2 PRO 42 4.347 -16.303 6.037 356 2HG PRO 42 HG1 PRO 42 3.553 -15.285 7.249 357 1HD PRO 42 HD2 PRO 42 2.246 -16.515 5.162 358 2HD PRO 42 HD1 PRO 42 1.658 -15.059 5.988 359 H GLU 43 HN GLU 43 5.310 -13.722 2.007 360 HA GLU 43 HA GLU 43 6.907 -14.688 0.708 361 1HB GLU 43 HB2 GLU 43 7.974 -15.185 2.959 362 2HB GLU 43 HB1 GLU 43 7.278 -16.795 2.827 363 1HG GLU 43 HG2 GLU 43 8.942 -17.465 1.538 364 2HG GLU 43 HG1 GLU 43 8.656 -16.144 0.407 365 H THR 44 HN THR 44 4.163 -16.404 1.793 366 HA THR 44 HA THR 44 4.549 -18.427 -0.306 367 HB THR 44 HB THR 44 2.443 -18.672 1.805 368 HG1 THR 44 HG1 THR 44 4.116 -18.408 3.136 369 1HG2 THR 44 HG21 THR 44 3.757 -21.085 1.434 370 2HG2 THR 44 HG22 THR 44 3.625 -20.388 -0.182 371 3HG2 THR 44 HG23 THR 44 2.178 -20.622 0.800 372 H LYS 45 HN LYS 45 2.711 -19.028 -1.594 373 HA LYS 45 HA LYS 45 1.027 -16.726 -2.212 374 1HB LYS 45 HB2 LYS 45 1.352 -19.335 -3.708 375 2HB LYS 45 HB1 LYS 45 0.495 -17.910 -4.282 376 1HG LYS 45 HG2 LYS 45 2.877 -16.804 -3.816 377 2HG LYS 45 HG1 LYS 45 3.393 -18.459 -4.146 378 1HD LYS 45 HD2 LYS 45 2.708 -18.384 -6.325 379 2HD LYS 45 HD1 LYS 45 1.421 -17.222 -5.993 380 1HE LYS 45 HE2 LYS 45 2.810 -15.421 -6.181 381 2HE LYS 45 HE1 LYS 45 4.225 -16.319 -5.632 382 1HZ LYS 45 HZ1 LYS 45 2.945 -16.615 -8.297 383 2HZ LYS 45 HZ2 LYS 45 4.344 -17.407 -7.769 384 3HZ LYS 45 HZ3 LYS 45 4.353 -15.730 -7.986 385 H HIS 46 HN HIS 46 0.838 -19.964 -0.948 386 HA HIS 46 HA HIS 46 -1.984 -20.274 -1.193 387 1HB HIS 46 HB2 HIS 46 -0.265 -21.645 0.870 388 2HB HIS 46 HB1 HIS 46 -1.724 -22.245 0.094 389 HD1 HIS 46 HD1 HIS 46 1.079 -23.728 0.140 390 HD2 HIS 46 HD2 HIS 46 -0.481 -21.521 -3.016 391 HE1 HIS 46 HE1 HIS 46 2.227 -24.598 -1.922 392 HE2 HIS 46 HE2 HIS 46 1.193 -23.316 -3.828 393 HA PRO 47 HA PRO 47 -3.906 -18.223 2.209 394 1HB PRO 47 HB2 PRO 47 -3.992 -20.805 3.726 395 2HB PRO 47 HB1 PRO 47 -5.263 -19.599 3.490 396 1HG PRO 47 HG2 PRO 47 -5.266 -21.840 2.066 397 2HG PRO 47 HG1 PRO 47 -5.701 -20.293 1.315 398 1HD PRO 47 HD2 PRO 47 -3.219 -21.902 1.035 399 2HD PRO 47 HD1 PRO 47 -4.008 -20.831 -0.139 400 H LYS 48 HN LYS 48 -3.588 -17.506 4.416 401 HA LYS 48 HA LYS 48 -1.114 -16.799 5.153 402 1HB LYS 48 HB2 LYS 48 -3.406 -17.528 6.973 403 2HB LYS 48 HB1 LYS 48 -1.945 -16.727 7.536 404 1HG LYS 48 HG2 LYS 48 -2.887 -14.787 7.046 405 2HG LYS 48 HG1 LYS 48 -2.819 -15.233 5.340 406 1HD LYS 48 HD2 LYS 48 -5.054 -14.996 5.419 407 2HD LYS 48 HD1 LYS 48 -5.025 -16.596 6.160 408 1HE LYS 48 HE2 LYS 48 -4.740 -15.317 8.380 409 2HE LYS 48 HE1 LYS 48 -5.301 -13.914 7.469 410 1HZ LYS 48 HZ1 LYS 48 -7.147 -15.705 6.802 411 2HZ LYS 48 HZ2 LYS 48 -7.300 -14.668 8.130 412 3HZ LYS 48 HZ3 LYS 48 -6.769 -16.257 8.356 413 H LYS 49 HN LYS 49 0.608 -17.545 6.313 414 HA LYS 49 HA LYS 49 0.713 -20.446 6.698 415 1HB LYS 49 HB2 LYS 49 2.452 -18.852 5.410 416 2HB LYS 49 HB1 LYS 49 3.152 -18.788 7.022 417 1HG LYS 49 HG2 LYS 49 4.259 -20.541 5.945 418 2HG LYS 49 HG1 LYS 49 3.072 -21.328 6.988 419 1HD LYS 49 HD2 LYS 49 1.830 -20.815 4.487 420 2HD LYS 49 HD1 LYS 49 3.398 -21.558 4.169 421 1HE LYS 49 HE2 LYS 49 2.135 -23.439 4.428 422 2HE LYS 49 HE1 LYS 49 2.622 -23.182 6.103 423 1HZ LYS 49 HZ1 LYS 49 0.542 -22.583 6.712 424 2HZ LYS 49 HZ2 LYS 49 0.113 -23.555 5.396 425 3HZ LYS 49 HZ3 LYS 49 0.168 -21.873 5.223 426 H GLY 50 HN GLY 50 1.624 -17.437 8.386 427 1HA GLY 50 HA2 GLY 50 0.622 -18.161 10.866 428 2HA GLY 50 HA1 GLY 50 2.275 -18.749 10.823 429 H VAL 51 HN VAL 51 3.301 -16.563 9.209 430 HA VAL 51 HA VAL 51 3.060 -14.366 11.168 431 HB VAL 51 HB VAL 51 5.468 -13.815 10.439 432 1HG1 VAL 51 HG11 VAL 51 6.392 -15.372 12.136 433 2HG1 VAL 51 HG12 VAL 51 4.837 -16.204 12.165 434 3HG1 VAL 51 HG13 VAL 51 4.946 -14.518 12.674 435 1HG2 VAL 51 HG21 VAL 51 6.710 -15.308 9.288 436 2HG2 VAL 51 HG22 VAL 51 5.140 -15.835 8.683 437 3HG2 VAL 51 HG23 VAL 51 5.906 -16.699 10.015 438 H GLU 52 HN GLU 52 1.409 -13.519 9.746 439 HA GLU 52 HA GLU 52 2.481 -12.329 7.279 440 1HB GLU 52 HB2 GLU 52 0.173 -12.101 6.536 441 2HB GLU 52 HB1 GLU 52 0.505 -13.771 6.977 442 1HG GLU 52 HG2 GLU 52 -1.034 -13.772 8.587 443 2HG GLU 52 HG1 GLU 52 -0.548 -12.184 9.181 444 H LYS 53 HN LYS 53 1.009 -10.226 6.801 445 HA LYS 53 HA LYS 53 1.969 -8.189 8.376 446 1HB LYS 53 HB2 LYS 53 0.088 -6.804 7.436 447 2HB LYS 53 HB1 LYS 53 1.044 -7.669 6.240 448 1HG LYS 53 HG2 LYS 53 -0.685 -8.943 5.585 449 2HG LYS 53 HG1 LYS 53 -1.322 -9.108 7.222 450 1HD LYS 53 HD2 LYS 53 -1.757 -6.466 6.734 451 2HD LYS 53 HD1 LYS 53 -1.974 -7.159 5.125 452 1HE LYS 53 HE2 LYS 53 -4.073 -7.554 5.808 453 2HE LYS 53 HE1 LYS 53 -3.363 -8.919 6.668 454 1HZ LYS 53 HZ1 LYS 53 -4.370 -7.952 8.414 455 2HZ LYS 53 HZ2 LYS 53 -4.408 -6.416 7.705 456 3HZ LYS 53 HZ3 LYS 53 -2.990 -6.973 8.439 457 H TYR 54 HN TYR 54 1.789 -8.492 10.562 458 HA TYR 54 HA TYR 54 -0.659 -9.167 11.861 459 1HB TYR 54 HB2 TYR 54 1.460 -7.778 13.412 460 2HB TYR 54 HB1 TYR 54 0.547 -9.228 13.805 461 HD1 TYR 54 HD1 TYR 54 1.263 -11.419 12.914 462 HD2 TYR 54 HD2 TYR 54 3.572 -7.900 12.285 463 HE1 TYR 54 HE1 TYR 54 3.201 -12.804 12.303 464 HE2 TYR 54 HE2 TYR 54 5.514 -9.276 11.672 465 HH TYR 54 HH TYR 54 6.358 -11.511 11.978 466 H GLY 55 HN GLY 55 0.983 -6.176 11.087 467 1HA GLY 55 HA2 GLY 55 -0.917 -4.404 10.808 468 2HA GLY 55 HA1 GLY 55 -1.035 -4.630 12.548 469 HA PRO 56 HA PRO 56 2.331 -1.961 13.542 470 1HB PRO 56 HB2 PRO 56 4.232 -4.185 14.063 471 2HB PRO 56 HB1 PRO 56 3.746 -2.850 15.114 472 1HG PRO 56 HG2 PRO 56 2.833 -5.315 15.539 473 2HG PRO 56 HG1 PRO 56 1.783 -3.903 15.763 474 1HD PRO 56 HD2 PRO 56 1.872 -5.861 13.507 475 2HD PRO 56 HD1 PRO 56 0.471 -5.079 14.268 476 H GLU 57 HN GLU 57 3.022 -4.533 11.302 477 HA GLU 57 HA GLU 57 5.350 -3.131 10.247 478 1HB GLU 57 HB2 GLU 57 4.141 -5.798 9.506 479 2HB GLU 57 HB1 GLU 57 5.599 -5.127 8.792 480 1HG GLU 57 HG2 GLU 57 5.180 -5.992 11.639 481 2HG GLU 57 HG1 GLU 57 6.252 -6.710 10.437 482 H ALA 58 HN ALA 58 2.043 -3.906 9.379 483 HA ALA 58 HA ALA 58 2.387 -2.797 6.717 484 1HB ALA 58 HB1 ALA 58 -0.238 -3.696 7.837 485 2HB ALA 58 HB2 ALA 58 0.974 -4.871 7.329 486 3HB ALA 58 HB3 ALA 58 0.329 -3.713 6.167 487 H SER 59 HN SER 59 0.447 -2.144 9.619 488 HA SER 59 HA SER 59 -0.458 0.373 8.510 489 1HB SER 59 HB2 SER 59 -1.065 -1.153 11.028 490 2HB SER 59 HB1 SER 59 -1.574 0.526 10.844 491 HG SER 59 HG SER 59 -2.546 -0.233 8.797 492 H ALA 60 HN ALA 60 1.142 -0.526 11.584 493 HA ALA 60 HA ALA 60 1.841 2.083 12.289 494 1HB ALA 60 HB1 ALA 60 1.884 -0.097 13.683 495 2HB ALA 60 HB2 ALA 60 3.045 1.181 14.038 496 3HB ALA 60 HB3 ALA 60 3.545 -0.230 13.108 497 H PHE 61 HN PHE 61 3.578 -0.289 10.312 498 HA PHE 61 HA PHE 61 5.943 1.343 10.143 499 1HB PHE 61 HB2 PHE 61 5.405 -1.305 9.650 500 2HB PHE 61 HB1 PHE 61 5.550 -0.648 8.024 501 HD1 PHE 61 HD1 PHE 61 7.632 -0.440 7.066 502 HD2 PHE 61 HD2 PHE 61 7.314 -0.686 11.302 503 HE1 PHE 61 HE1 PHE 61 10.084 -0.536 7.240 504 HE2 PHE 61 HE2 PHE 61 9.766 -0.781 11.485 505 HZ PHE 61 HZ PHE 61 11.153 -0.705 9.450 506 H THR 62 HN THR 62 2.957 1.060 8.425 507 HA THR 62 HA THR 62 3.666 2.108 5.946 508 HB THR 62 HB THR 62 1.231 1.569 7.433 509 HG1 THR 62 HG1 THR 62 0.668 0.742 5.528 510 1HG2 THR 62 HG21 THR 62 1.221 3.987 5.652 511 2HG2 THR 62 HG22 THR 62 0.570 3.824 7.283 512 3HG2 THR 62 HG23 THR 62 -0.213 3.002 5.935 513 H LYS 63 HN LYS 63 2.037 3.977 8.555 514 HA LYS 63 HA LYS 63 2.690 6.473 7.394 515 1HB LYS 63 HB2 LYS 63 1.950 7.411 9.577 516 2HB LYS 63 HB1 LYS 63 0.799 6.298 8.858 517 1HG LYS 63 HG2 LYS 63 2.591 4.877 10.586 518 2HG LYS 63 HG1 LYS 63 1.848 6.227 11.443 519 1HD LYS 63 HD2 LYS 63 -0.368 5.401 10.527 520 2HD LYS 63 HD1 LYS 63 0.488 3.943 10.035 521 1HE LYS 63 HE2 LYS 63 -0.142 3.221 12.078 522 2HE LYS 63 HE1 LYS 63 1.295 4.105 12.591 523 1HZ LYS 63 HZ1 LYS 63 -0.107 6.018 13.073 524 2HZ LYS 63 HZ2 LYS 63 -0.609 4.666 13.957 525 3HZ LYS 63 HZ3 LYS 63 -1.482 5.158 12.594 526 H LYS 64 HN LYS 64 4.311 4.438 9.746 527 HA LYS 64 HA LYS 64 6.098 6.372 10.755 528 1HB LYS 64 HB2 LYS 64 6.086 3.379 10.666 529 2HB LYS 64 HB1 LYS 64 7.526 4.229 11.210 530 1HG LYS 64 HG2 LYS 64 6.198 5.352 12.939 531 2HG LYS 64 HG1 LYS 64 4.773 4.456 12.409 532 1HD LYS 64 HD2 LYS 64 5.677 2.398 13.111 533 2HD LYS 64 HD1 LYS 64 7.300 3.074 13.266 534 1HE LYS 64 HE2 LYS 64 4.958 3.927 14.957 535 2HE LYS 64 HE1 LYS 64 6.109 2.680 15.435 536 1HZ LYS 64 HZ1 LYS 64 7.669 4.194 15.921 537 2HZ LYS 64 HZ2 LYS 64 6.376 5.283 16.006 538 3HZ LYS 64 HZ3 LYS 64 7.301 5.179 14.593 539 H MET 65 HN MET 65 6.574 3.892 8.237 540 HA MET 65 HA MET 65 9.180 4.537 7.544 541 1HB MET 65 HB2 MET 65 6.900 3.322 6.025 542 2HB MET 65 HB1 MET 65 8.416 3.669 5.206 543 1HG MET 65 HG2 MET 65 8.135 1.945 7.656 544 2HG MET 65 HG1 MET 65 8.253 1.348 6.001 545 1HE MET 65 HE1 MET 65 9.628 2.583 9.025 546 2HE MET 65 HE2 MET 65 10.865 3.730 8.514 547 3HE MET 65 HE3 MET 65 11.319 2.085 8.960 548 H VAL 66 HN VAL 66 6.213 6.176 6.768 549 HA VAL 66 HA VAL 66 7.335 7.757 4.642 550 HB VAL 66 HB VAL 66 4.801 8.319 6.180 551 1HG1 VAL 66 HG11 VAL 66 4.895 10.148 4.886 552 2HG1 VAL 66 HG12 VAL 66 4.390 9.063 3.591 553 3HG1 VAL 66 HG13 VAL 66 6.099 9.444 3.806 554 1HG2 VAL 66 HG21 VAL 66 4.273 7.063 3.683 555 2HG2 VAL 66 HG22 VAL 66 3.861 6.510 5.305 556 3HG2 VAL 66 HG23 VAL 66 5.402 6.051 4.584 557 H GLU 67 HN GLU 67 6.634 8.211 8.073 558 HA GLU 67 HA GLU 67 7.155 10.959 8.225 559 1HB GLU 67 HB2 GLU 67 6.306 9.084 9.988 560 2HB GLU 67 HB1 GLU 67 7.954 9.327 10.554 561 1HG GLU 67 HG2 GLU 67 7.418 11.812 10.547 562 2HG GLU 67 HG1 GLU 67 5.732 11.332 10.365 563 H ASN 68 HN ASN 68 9.300 8.288 7.846 564 HA ASN 68 HA ASN 68 11.604 9.957 8.574 565 1HB ASN 68 HB2 ASN 68 11.518 6.980 8.051 566 2HB ASN 68 HB1 ASN 68 12.896 7.896 8.654 567 1HD2 ASN 68 HD21 ASN 68 9.999 6.287 9.439 568 2HD2 ASN 68 HD22 ASN 68 10.023 6.584 11.141 569 H ALA 69 HN ALA 69 10.052 8.340 5.909 570 HA ALA 69 HA ALA 69 12.284 9.091 4.144 571 1HB ALA 69 HB1 ALA 69 11.922 7.236 2.937 572 2HB ALA 69 HB2 ALA 69 10.169 7.411 3.008 573 3HB ALA 69 HB3 ALA 69 11.037 6.679 4.357 574 H LYS 70 HN LYS 70 12.012 10.937 3.093 575 HA LYS 70 HA LYS 70 9.489 12.232 2.848 576 1HB LYS 70 HB2 LYS 70 12.140 12.821 1.519 577 2HB LYS 70 HB1 LYS 70 10.737 13.878 1.468 578 1HG LYS 70 HG2 LYS 70 11.254 13.261 4.185 579 2HG LYS 70 HG1 LYS 70 12.780 13.725 3.431 580 1HD LYS 70 HD2 LYS 70 12.114 15.830 3.821 581 2HD LYS 70 HD1 LYS 70 11.056 15.596 2.427 582 1HE LYS 70 HE2 LYS 70 9.201 15.558 3.691 583 2HE LYS 70 HE1 LYS 70 9.963 14.582 4.946 584 1HZ LYS 70 HZ1 LYS 70 9.268 17.038 5.407 585 2HZ LYS 70 HZ2 LYS 70 10.751 17.394 4.678 586 3HZ LYS 70 HZ3 LYS 70 10.701 16.418 6.058 587 H LYS 71 HN LYS 71 11.239 9.991 0.889 588 HA LYS 71 HA LYS 71 9.758 10.610 -1.523 589 1HB LYS 71 HB2 LYS 71 10.976 8.621 -2.448 590 2HB LYS 71 HB1 LYS 71 12.012 9.922 -1.874 591 1HG LYS 71 HG2 LYS 71 11.678 8.247 0.329 592 2HG LYS 71 HG1 LYS 71 11.887 7.165 -1.047 593 1HD LYS 71 HD2 LYS 71 14.032 7.732 -0.002 594 2HD LYS 71 HD1 LYS 71 13.940 8.312 -1.665 595 1HE LYS 71 HE2 LYS 71 12.942 10.409 -0.139 596 2HE LYS 71 HE1 LYS 71 14.303 9.792 0.798 597 1HZ LYS 71 HZ1 LYS 71 14.698 11.578 -1.007 598 2HZ LYS 71 HZ2 LYS 71 14.618 10.278 -2.087 599 3HZ LYS 71 HZ3 LYS 71 15.788 10.292 -0.866 600 H ILE 72 HN ILE 72 7.730 10.000 -1.681 601 HA ILE 72 HA ILE 72 7.025 7.247 -0.956 602 HB ILE 72 HB ILE 72 5.206 9.579 -0.365 603 1HG1 ILE 72 HG12 ILE 72 5.914 8.483 2.069 604 2HG1 ILE 72 HG11 ILE 72 7.435 8.478 1.183 605 1HG2 ILE 72 HG21 ILE 72 4.204 7.703 1.136 606 2HG2 ILE 72 HG22 ILE 72 5.073 6.625 0.044 607 3HG2 ILE 72 HG23 ILE 72 3.852 7.727 -0.592 608 1HD1 ILE 72 HD11 ILE 72 7.392 10.515 2.321 609 2HD1 ILE 72 HD12 ILE 72 5.704 10.812 1.906 610 3HD1 ILE 72 HD13 ILE 72 6.951 10.917 0.663 611 H GLU 73 HN GLU 73 6.963 6.628 -3.110 612 HA GLU 73 HA GLU 73 5.084 8.085 -4.831 613 1HB GLU 73 HB2 GLU 73 7.265 6.136 -5.566 614 2HB GLU 73 HB1 GLU 73 6.161 6.874 -6.713 615 1HG GLU 73 HG2 GLU 73 7.180 9.037 -5.371 616 2HG GLU 73 HG1 GLU 73 8.559 7.943 -5.463 617 H VAL 74 HN VAL 74 3.212 7.209 -5.399 618 HA VAL 74 HA VAL 74 2.696 4.438 -4.583 619 HB VAL 74 HB VAL 74 0.662 6.548 -5.306 620 1HG1 VAL 74 HG11 VAL 74 0.170 4.143 -3.600 621 2HG1 VAL 74 HG12 VAL 74 0.153 4.003 -5.357 622 3HG1 VAL 74 HG13 VAL 74 -0.970 5.096 -4.550 623 1HG2 VAL 74 HG21 VAL 74 2.314 6.624 -3.106 624 2HG2 VAL 74 HG22 VAL 74 0.868 5.822 -2.491 625 3HG2 VAL 74 HG23 VAL 74 0.742 7.412 -3.246 626 H GLU 75 HN GLU 75 2.527 2.913 -6.063 627 HA GLU 75 HA GLU 75 2.396 3.628 -8.876 628 1HB GLU 75 HB2 GLU 75 4.000 1.915 -8.108 629 2HB GLU 75 HB1 GLU 75 2.663 0.922 -7.547 630 1HG GLU 75 HG2 GLU 75 2.118 1.519 -10.232 631 2HG GLU 75 HG1 GLU 75 3.827 1.094 -10.154 632 H PHE 76 HN PHE 76 0.077 4.390 -7.783 633 HA PHE 76 HA PHE 76 -1.857 2.241 -8.103 634 1HB PHE 76 HB2 PHE 76 -3.212 3.435 -6.745 635 2HB PHE 76 HB1 PHE 76 -1.732 4.270 -6.321 636 HD1 PHE 76 HD1 PHE 76 -1.295 6.080 -8.541 637 HD2 PHE 76 HD2 PHE 76 -4.930 4.939 -6.646 638 HE1 PHE 76 HE1 PHE 76 -2.314 8.212 -9.220 639 HE2 PHE 76 HE2 PHE 76 -5.955 7.068 -7.320 640 HZ PHE 76 HZ PHE 76 -4.649 8.709 -8.613 641 H ASP 77 HN ASP 77 -3.583 2.303 -9.567 642 HA ASP 77 HA ASP 77 -2.924 3.398 -12.119 643 1HB ASP 77 HB2 ASP 77 -4.176 1.205 -11.593 644 2HB ASP 77 HB1 ASP 77 -5.602 2.221 -11.398 645 H LYS 78 HN LYS 78 -4.276 4.796 -13.396 646 HA LYS 78 HA LYS 78 -5.504 6.898 -11.767 647 1HB LYS 78 HB2 LYS 78 -3.690 7.091 -13.786 648 2HB LYS 78 HB1 LYS 78 -5.189 7.324 -14.674 649 1HG LYS 78 HG2 LYS 78 -5.757 9.078 -12.908 650 2HG LYS 78 HG1 LYS 78 -4.055 8.982 -12.451 651 1HD LYS 78 HD2 LYS 78 -4.828 9.405 -15.311 652 2HD LYS 78 HD1 LYS 78 -4.817 10.762 -14.184 653 1HE LYS 78 HE2 LYS 78 -2.413 9.190 -13.925 654 2HE LYS 78 HE1 LYS 78 -2.646 9.707 -15.595 655 1HZ LYS 78 HZ1 LYS 78 -1.381 11.260 -14.068 656 2HZ LYS 78 HZ2 LYS 78 -2.865 11.600 -13.334 657 3HZ LYS 78 HZ3 LYS 78 -2.636 11.944 -14.973 658 H GLY 79 HN GLY 79 -6.854 4.405 -12.265 659 1HA GLY 79 HA2 GLY 79 -9.361 5.457 -13.224 660 2HA GLY 79 HA1 GLY 79 -8.680 4.187 -14.237 661 H GLN 80 HN GLN 80 -8.325 4.459 -10.777 662 HA GLN 80 HA GLN 80 -9.239 1.773 -10.431 663 1HB GLN 80 HB2 GLN 80 -7.783 1.938 -8.755 664 2HB GLN 80 HB1 GLN 80 -7.700 3.681 -8.927 665 1HG GLN 80 HG2 GLN 80 -8.361 3.405 -6.737 666 2HG GLN 80 HG1 GLN 80 -9.889 3.691 -7.553 667 1HE2 GLN 80 HE21 GLN 80 -10.834 2.660 -5.689 668 2HE2 GLN 80 HE22 GLN 80 -10.903 0.935 -5.609 669 H ARG 81 HN ARG 81 -11.124 1.103 -9.919 670 HA ARG 81 HA ARG 81 -13.396 2.786 -9.881 671 1HB ARG 81 HB2 ARG 81 -13.212 -0.084 -8.948 672 2HB ARG 81 HB1 ARG 81 -14.676 0.772 -9.412 673 1HG ARG 81 HG2 ARG 81 -12.401 0.377 -11.324 674 2HG ARG 81 HG1 ARG 81 -13.664 -0.834 -11.103 675 1HD ARG 81 HD2 ARG 81 -15.209 0.392 -12.193 676 2HD ARG 81 HD1 ARG 81 -14.625 1.912 -11.516 677 HE ARG 81 HE ARG 81 -12.682 1.238 -13.268 678 1HH1 ARG 81 HH11 ARG 81 -16.149 1.514 -13.552 679 2HH1 ARG 81 HH12 ARG 81 -16.102 1.965 -15.222 680 1HH2 ARG 81 HH21 ARG 81 -12.617 1.831 -15.466 681 2HH2 ARG 81 HH22 ARG 81 -14.097 2.145 -16.310 682 H THR 82 HN THR 82 -12.713 4.272 -8.183 683 HA THR 82 HA THR 82 -12.683 3.307 -5.458 684 HB THR 82 HB THR 82 -11.220 5.171 -6.185 685 HG1 THR 82 HG1 THR 82 -12.264 4.960 -3.971 686 1HG2 THR 82 HG21 THR 82 -12.633 7.441 -6.111 687 2HG2 THR 82 HG22 THR 82 -13.793 6.394 -6.925 688 3HG2 THR 82 HG23 THR 82 -12.184 6.622 -7.607 689 H ASP 83 HN ASP 83 -14.086 4.221 -3.801 690 HA ASP 83 HA ASP 83 -16.847 4.343 -4.735 691 1HB ASP 83 HB2 ASP 83 -15.507 3.728 -2.142 692 2HB ASP 83 HB1 ASP 83 -17.130 4.407 -2.078 693 H LYS 84 HN LYS 84 -15.558 6.543 -5.521 694 HA LYS 84 HA LYS 84 -15.907 8.799 -5.600 695 1HB LYS 84 HB2 LYS 84 -18.029 8.002 -4.063 696 2HB LYS 84 HB1 LYS 84 -17.191 9.094 -2.969 697 1HG LYS 84 HG2 LYS 84 -17.547 10.929 -4.309 698 2HG LYS 84 HG1 LYS 84 -17.735 9.958 -5.770 699 1HD LYS 84 HD2 LYS 84 -19.835 9.029 -4.477 700 2HD LYS 84 HD1 LYS 84 -19.709 10.568 -3.624 701 1HE LYS 84 HE2 LYS 84 -19.886 10.241 -6.617 702 2HE LYS 84 HE1 LYS 84 -21.228 10.681 -5.561 703 1HZ LYS 84 HZ1 LYS 84 -19.670 12.585 -4.846 704 2HZ LYS 84 HZ2 LYS 84 -20.485 12.709 -6.323 705 3HZ LYS 84 HZ3 LYS 84 -18.854 12.262 -6.293 706 H TYR 85 HN TYR 85 -13.640 7.461 -4.401 707 HA TYR 85 HA TYR 85 -11.639 8.288 -3.604 708 1HB TYR 85 HB2 TYR 85 -13.150 10.511 -2.218 709 2HB TYR 85 HB1 TYR 85 -11.411 10.396 -2.469 710 HD1 TYR 85 HD1 TYR 85 -10.774 10.079 -5.077 711 HD2 TYR 85 HD2 TYR 85 -14.289 11.963 -3.597 712 HE1 TYR 85 HE1 TYR 85 -10.989 11.324 -7.187 713 HE2 TYR 85 HE2 TYR 85 -14.514 13.213 -5.702 714 HH TYR 85 HH TYR 85 -12.940 12.425 -8.486 715 H GLY 86 HN GLY 86 -14.383 7.326 -1.965 716 1HA GLY 86 HA2 GLY 86 -13.560 7.367 0.713 717 2HA GLY 86 HA1 GLY 86 -14.696 6.219 0.017 718 H ARG 87 HN ARG 87 -12.364 5.593 -1.945 719 HA ARG 87 HA ARG 87 -10.276 4.439 -0.488 720 1HB ARG 87 HB2 ARG 87 -12.087 2.995 0.382 721 2HB ARG 87 HB1 ARG 87 -12.446 2.483 -1.262 722 1HG ARG 87 HG2 ARG 87 -9.786 2.077 0.079 723 2HG ARG 87 HG1 ARG 87 -11.079 0.876 0.054 724 1HD ARG 87 HD2 ARG 87 -9.401 1.902 -2.196 725 2HD ARG 87 HD1 ARG 87 -9.732 0.256 -1.728 726 HE ARG 87 HE ARG 87 -11.702 2.025 -3.050 727 1HH1 ARG 87 HH11 ARG 87 -10.357 -1.164 -2.477 728 2HH1 ARG 87 HH12 ARG 87 -11.433 -1.943 -3.585 729 1HH2 ARG 87 HH21 ARG 87 -13.104 0.985 -4.497 730 2HH2 ARG 87 HH22 ARG 87 -12.987 -0.728 -4.731 731 H TRP 88 HN TRP 88 -8.676 3.997 -1.846 732 HA TRP 88 HA TRP 88 -9.292 3.393 -4.663 733 1HB TRP 88 HB2 TRP 88 -7.415 5.439 -3.526 734 2HB TRP 88 HB1 TRP 88 -7.029 4.671 -5.062 735 HD1 TRP 88 HD1 TRP 88 -9.908 6.736 -3.482 736 HE1 TRP 88 HE1 TRP 88 -10.993 8.132 -5.354 737 HE3 TRP 88 HE3 TRP 88 -7.242 4.972 -7.474 738 HZ2 TRP 88 HZ2 TRP 88 -10.757 8.442 -8.146 739 HZ3 TRP 88 HZ3 TRP 88 -7.740 5.865 -9.707 740 HH2 TRP 88 HH2 TRP 88 -9.458 7.566 -10.039 741 H LEU 89 HN LEU 89 -7.220 2.496 -5.777 742 HA LEU 89 HA LEU 89 -6.123 0.426 -4.012 743 1HB LEU 89 HB2 LEU 89 -5.706 -0.830 -5.878 744 2HB LEU 89 HB1 LEU 89 -7.065 0.114 -6.453 745 HG LEU 89 HG LEU 89 -5.562 0.092 -8.243 746 1HD1 LEU 89 HD11 LEU 89 -4.357 2.530 -7.817 747 2HD1 LEU 89 HD12 LEU 89 -5.772 2.592 -6.779 748 3HD1 LEU 89 HD13 LEU 89 -5.957 2.265 -8.496 749 1HD2 LEU 89 HD21 LEU 89 -3.154 1.114 -6.973 750 2HD2 LEU 89 HD22 LEU 89 -3.367 -0.238 -8.084 751 3HD2 LEU 89 HD23 LEU 89 -3.644 -0.464 -6.357 752 H ALA 90 HN ALA 90 -3.760 0.026 -4.020 753 HA ALA 90 HA ALA 90 -1.831 1.623 -5.152 754 1HB ALA 90 HB1 ALA 90 -3.156 2.944 -2.881 755 2HB ALA 90 HB2 ALA 90 -2.285 3.635 -4.249 756 3HB ALA 90 HB3 ALA 90 -1.394 2.989 -2.871 757 H TYR 91 HN TYR 91 0.272 1.568 -4.057 758 HA TYR 91 HA TYR 91 0.495 -0.783 -2.304 759 1HB TYR 91 HB2 TYR 91 2.257 0.233 -4.523 760 2HB TYR 91 HB1 TYR 91 2.880 -0.857 -3.290 761 HD1 TYR 91 HD1 TYR 91 -0.360 -0.769 -5.185 762 HD2 TYR 91 HD2 TYR 91 3.160 -2.954 -4.195 763 HE1 TYR 91 HE1 TYR 91 -1.204 -2.696 -6.450 764 HE2 TYR 91 HE2 TYR 91 2.320 -4.887 -5.461 765 HH TYR 91 HH TYR 91 -0.922 -5.020 -6.682 766 H ILE 92 HN ILE 92 1.971 2.340 -3.122 767 HA ILE 92 HA ILE 92 3.039 3.911 -1.873 768 HB ILE 92 HB ILE 92 1.866 2.568 0.554 769 1HG1 ILE 92 HG12 ILE 92 0.162 4.622 -0.027 770 2HG1 ILE 92 HG11 ILE 92 0.570 4.050 -1.641 771 1HG2 ILE 92 HG21 ILE 92 3.222 4.186 1.408 772 2HG2 ILE 92 HG22 ILE 92 1.775 5.154 1.121 773 3HG2 ILE 92 HG23 ILE 92 3.109 5.199 -0.032 774 1HD1 ILE 92 HD11 ILE 92 -0.199 2.035 0.392 775 2HD1 ILE 92 HD12 ILE 92 -0.481 2.057 -1.349 776 3HD1 ILE 92 HD13 ILE 92 -1.459 3.067 -0.284 777 H TYR 93 HN TYR 93 5.101 4.119 -1.308 778 HA TYR 93 HA TYR 93 6.357 2.220 0.479 779 1HB TYR 93 HB2 TYR 93 8.299 1.926 -1.132 780 2HB TYR 93 HB1 TYR 93 6.835 1.028 -1.501 781 HD1 TYR 93 HD1 TYR 93 5.907 1.167 -3.617 782 HD2 TYR 93 HD2 TYR 93 8.643 4.170 -2.350 783 HE1 TYR 93 HE1 TYR 93 5.918 2.105 -5.890 784 HE2 TYR 93 HE2 TYR 93 8.661 5.115 -4.616 785 HH TYR 93 HH TYR 93 7.595 3.526 -7.284 786 H ALA 94 HN ALA 94 8.059 3.059 1.587 787 HA ALA 94 HA ALA 94 8.754 5.856 0.971 788 1HB ALA 94 HB1 ALA 94 9.388 4.999 3.674 789 2HB ALA 94 HB2 ALA 94 7.674 4.826 3.300 790 3HB ALA 94 HB3 ALA 94 8.461 6.393 3.117 791 H ASP 95 HN ASP 95 10.769 6.196 0.321 792 HA ASP 95 HA ASP 95 13.050 6.068 0.189 793 1HB ASP 95 HB2 ASP 95 12.754 5.175 2.668 794 2HB ASP 95 HB1 ASP 95 13.216 3.646 1.928 795 H GLY 96 HN GLY 96 11.183 4.715 -1.526 796 1HA GLY 96 HA2 GLY 96 11.236 3.292 -3.324 797 2HA GLY 96 HA1 GLY 96 12.973 3.200 -3.082 798 H LYS 97 HN LYS 97 10.960 2.271 -0.441 799 HA LYS 97 HA LYS 97 11.181 -0.557 -1.175 800 1HB LYS 97 HB2 LYS 97 11.813 -0.964 1.297 801 2HB LYS 97 HB1 LYS 97 13.064 -0.422 0.188 802 1HG LYS 97 HG2 LYS 97 13.523 1.132 1.708 803 2HG LYS 97 HG1 LYS 97 12.051 1.939 1.167 804 1HD LYS 97 HD2 LYS 97 10.784 1.055 2.933 805 2HD LYS 97 HD1 LYS 97 11.991 -0.182 3.292 806 1HE LYS 97 HE2 LYS 97 12.114 2.768 3.851 807 2HE LYS 97 HE1 LYS 97 12.191 1.433 5.000 808 1HZ LYS 97 HZ1 LYS 97 14.299 0.848 3.558 809 2HZ LYS 97 HZ2 LYS 97 14.384 1.936 4.850 810 3HZ LYS 97 HZ3 LYS 97 14.278 2.514 3.264 811 H MET 98 HN MET 98 9.155 -1.236 -1.228 812 HA MET 98 HA MET 98 6.976 -0.060 0.077 813 1HB MET 98 HB2 MET 98 7.422 -2.216 -1.712 814 2HB MET 98 HB1 MET 98 6.469 -2.846 -0.378 815 1HG MET 98 HG2 MET 98 4.636 -1.871 -1.135 816 2HG MET 98 HG1 MET 98 5.437 -0.305 -1.230 817 1HE MET 98 HE1 MET 98 5.802 -3.695 -2.610 818 2HE MET 98 HE2 MET 98 6.779 -3.310 -4.026 819 3HE MET 98 HE3 MET 98 5.051 -3.614 -4.204 820 H VAL 99 HN VAL 99 5.783 -0.660 1.909 821 HA VAL 99 HA VAL 99 7.186 -1.378 4.185 822 HB VAL 99 HB VAL 99 4.840 -2.056 5.088 823 1HG1 VAL 99 HG11 VAL 99 5.335 0.750 4.100 824 2HG1 VAL 99 HG12 VAL 99 6.016 0.048 5.569 825 3HG1 VAL 99 HG13 VAL 99 4.272 0.275 5.426 826 1HG2 VAL 99 HG21 VAL 99 3.983 -2.302 2.684 827 2HG2 VAL 99 HG22 VAL 99 3.908 -0.540 2.669 828 3HG2 VAL 99 HG23 VAL 99 2.954 -1.453 3.839 829 H ASN 100 HN ASN 100 5.556 -3.389 1.838 830 HA ASN 100 HA ASN 100 5.831 -5.803 3.395 831 1HB ASN 100 HB2 ASN 100 5.269 -5.719 0.438 832 2HB ASN 100 HB1 ASN 100 4.740 -6.909 1.624 833 1HD2 ASN 100 HD21 ASN 100 4.176 -3.777 0.252 834 2HD2 ASN 100 HD22 ASN 100 2.616 -3.524 0.949 835 H GLU 101 HN GLU 101 7.481 -4.184 0.757 836 HA GLU 101 HA GLU 101 9.287 -6.304 0.169 837 1HB GLU 101 HB2 GLU 101 8.754 -3.634 -0.794 838 2HB GLU 101 HB1 GLU 101 10.485 -3.864 -0.580 839 1HG GLU 101 HG2 GLU 101 9.186 -6.113 -1.894 840 2HG GLU 101 HG1 GLU 101 9.022 -4.595 -2.775 841 H ALA 102 HN ALA 102 9.183 -3.802 2.554 842 HA ALA 102 HA ALA 102 12.003 -4.089 3.220 843 1HB ALA 102 HB1 ALA 102 9.919 -2.390 4.582 844 2HB ALA 102 HB2 ALA 102 10.913 -1.858 3.225 845 3HB ALA 102 HB3 ALA 102 11.671 -2.280 4.761 846 H LEU 103 HN LEU 103 8.928 -5.290 4.234 847 HA LEU 103 HA LEU 103 10.187 -6.488 6.616 848 1HB LEU 103 HB2 LEU 103 7.777 -4.987 6.345 849 2HB LEU 103 HB1 LEU 103 7.350 -6.626 6.790 850 HG LEU 103 HG LEU 103 7.527 -5.529 8.836 851 1HD1 LEU 103 HD11 LEU 103 9.202 -7.579 8.333 852 2HD1 LEU 103 HD12 LEU 103 9.000 -6.836 9.920 853 3HD1 LEU 103 HD13 LEU 103 10.349 -6.360 8.888 854 1HD2 LEU 103 HD21 LEU 103 9.763 -4.058 7.531 855 2HD2 LEU 103 HD22 LEU 103 9.746 -4.201 9.289 856 3HD2 LEU 103 HD23 LEU 103 8.390 -3.444 8.452 857 H VAL 104 HN VAL 104 7.326 -7.117 4.587 858 HA VAL 104 HA VAL 104 7.203 -9.855 4.981 859 HB VAL 104 HB VAL 104 6.394 -8.413 2.456 860 1HG1 VAL 104 HG11 VAL 104 4.564 -10.348 2.796 861 2HG1 VAL 104 HG12 VAL 104 5.973 -11.137 3.505 862 3HG1 VAL 104 HG13 VAL 104 6.033 -10.554 1.842 863 1HG2 VAL 104 HG21 VAL 104 4.641 -7.511 3.514 864 2HG2 VAL 104 HG22 VAL 104 5.522 -7.852 5.003 865 3HG2 VAL 104 HG23 VAL 104 4.313 -8.992 4.413 866 H ARG 105 HN ARG 105 9.563 -8.132 3.257 867 HA ARG 105 HA ARG 105 10.383 -9.365 1.086 868 1HB ARG 105 HB2 ARG 105 12.719 -9.089 1.803 869 2HB ARG 105 HB1 ARG 105 11.730 -7.697 2.214 870 1HG ARG 105 HG2 ARG 105 11.541 -9.216 4.474 871 2HG ARG 105 HG1 ARG 105 13.192 -9.535 3.943 872 1HD ARG 105 HD2 ARG 105 12.664 -6.745 3.680 873 2HD ARG 105 HD1 ARG 105 12.177 -7.262 5.293 874 HE ARG 105 HE ARG 105 14.860 -7.155 4.230 875 1HH1 ARG 105 HH11 ARG 105 12.777 -8.468 6.704 876 2HH1 ARG 105 HH12 ARG 105 14.075 -8.781 7.805 877 1HH2 ARG 105 HH21 ARG 105 16.567 -7.566 5.678 878 2HH2 ARG 105 HH22 ARG 105 16.225 -8.268 7.225 879 H GLN 106 HN GLN 106 10.778 -10.867 4.291 880 HA GLN 106 HA GLN 106 11.315 -13.416 2.912 881 1HB GLN 106 HB2 GLN 106 12.499 -14.014 5.130 882 2HB GLN 106 HB1 GLN 106 13.331 -12.968 3.988 883 1HG GLN 106 HG2 GLN 106 13.491 -12.265 6.374 884 2HG GLN 106 HG1 GLN 106 12.861 -11.036 5.279 885 1HE2 GLN 106 HE21 GLN 106 11.434 -9.876 6.344 886 2HE2 GLN 106 HE22 GLN 106 10.161 -10.486 7.338 887 H GLY 107 HN GLY 107 9.083 -11.771 4.724 888 1HA GLY 107 HA2 GLY 107 7.015 -13.143 5.077 889 2HA GLY 107 HA1 GLY 107 8.061 -14.264 5.938 890 H LEU 108 HN LEU 108 8.414 -10.801 6.171 891 HA LEU 108 HA LEU 108 8.193 -9.335 7.876 892 1HB LEU 108 HB2 LEU 108 5.948 -11.226 8.458 893 2HB LEU 108 HB1 LEU 108 6.320 -9.921 9.572 894 HG LEU 108 HG LEU 108 5.913 -9.328 6.671 895 1HD1 LEU 108 HD11 LEU 108 3.565 -9.104 6.944 896 2HD1 LEU 108 HD12 LEU 108 3.668 -9.432 8.674 897 3HD1 LEU 108 HD13 LEU 108 3.992 -10.719 7.511 898 1HD2 LEU 108 HD21 LEU 108 5.410 -7.160 7.421 899 2HD2 LEU 108 HD22 LEU 108 6.796 -7.674 8.382 900 3HD2 LEU 108 HD23 LEU 108 5.177 -7.700 9.085 901 H ALA 109 HN ALA 109 9.948 -9.284 9.063 902 HA ALA 109 HA ALA 109 10.814 -11.489 10.682 903 1HB ALA 109 HB1 ALA 109 12.768 -10.506 10.312 904 2HB ALA 109 HB2 ALA 109 12.270 -9.154 11.329 905 3HB ALA 109 HB3 ALA 109 11.955 -9.116 9.594 906 H LYS 110 HN LYS 110 10.651 -11.751 12.848 907 HA LYS 110 HA LYS 110 9.504 -9.568 14.440 908 1HB LYS 110 HB2 LYS 110 7.953 -11.639 13.626 909 2HB LYS 110 HB1 LYS 110 8.578 -12.286 15.136 910 1HG LYS 110 HG2 LYS 110 7.239 -9.603 14.903 911 2HG LYS 110 HG1 LYS 110 6.391 -11.095 15.316 912 1HD LYS 110 HD2 LYS 110 8.742 -10.780 16.952 913 2HD LYS 110 HD1 LYS 110 7.718 -9.348 17.059 914 1HE LYS 110 HE2 LYS 110 6.314 -11.935 17.197 915 2HE LYS 110 HE1 LYS 110 7.379 -11.574 18.555 916 1HZ LYS 110 HZ1 LYS 110 5.408 -9.596 17.592 917 2HZ LYS 110 HZ2 LYS 110 6.163 -9.687 19.103 918 3HZ LYS 110 HZ3 LYS 110 4.966 -10.807 18.689 Start of MODEL 12 1 1H ALA 1 HT1 ALA 1 0.697 -12.259 -21.801 2 2H ALA 1 HT2 ALA 1 1.343 -13.706 -22.459 3 3H ALA 1 HT3 ALA 1 2.013 -13.039 -21.027 4 HA ALA 1 HA ALA 1 -0.555 -14.380 -21.430 5 1HB ALA 1 HB1 ALA 1 1.952 -14.858 -19.934 6 2HB ALA 1 HB2 ALA 1 0.872 -15.998 -20.736 7 3HB ALA 1 HB3 ALA 1 0.447 -15.345 -19.154 8 H THR 2 HN THR 2 1.154 -11.976 -19.534 9 HA THR 2 HA THR 2 -1.240 -11.612 -17.864 10 HB THR 2 HB THR 2 0.219 -10.441 -16.283 11 HG1 THR 2 HG1 THR 2 1.728 -9.631 -17.797 12 1HG2 THR 2 HG21 THR 2 1.040 -12.280 -15.310 13 2HG2 THR 2 HG22 THR 2 1.907 -12.789 -16.759 14 3HG2 THR 2 HG23 THR 2 0.181 -13.117 -16.605 15 H SER 3 HN SER 3 -2.318 -9.705 -17.840 16 HA SER 3 HA SER 3 -1.631 -7.791 -19.920 17 1HB SER 3 HB2 SER 3 -4.073 -8.229 -18.211 18 2HB SER 3 HB1 SER 3 -3.881 -6.771 -19.185 19 HG SER 3 HG SER 3 -5.018 -8.582 -20.202 20 H THR 4 HN THR 4 -0.616 -5.938 -19.542 21 HA THR 4 HA THR 4 0.029 -5.168 -16.838 22 HB THR 4 HB THR 4 0.676 -3.656 -19.367 23 HG1 THR 4 HG1 THR 4 2.235 -5.029 -19.769 24 1HG2 THR 4 HG21 THR 4 2.369 -2.615 -18.229 25 2HG2 THR 4 HG22 THR 4 2.463 -3.875 -16.998 26 3HG2 THR 4 HG23 THR 4 1.127 -2.723 -16.981 27 H LYS 5 HN LYS 5 -0.732 -3.450 -15.706 28 HA LYS 5 HA LYS 5 -3.166 -2.212 -16.701 29 1HB LYS 5 HB2 LYS 5 -2.371 -3.089 -14.209 30 2HB LYS 5 HB1 LYS 5 -2.209 -1.344 -14.075 31 1HG LYS 5 HG2 LYS 5 -4.641 -1.541 -15.248 32 2HG LYS 5 HG1 LYS 5 -4.614 -3.011 -14.274 33 1HD LYS 5 HD2 LYS 5 -3.635 -0.640 -12.865 34 2HD LYS 5 HD1 LYS 5 -5.321 -0.522 -13.374 35 1HE LYS 5 HE2 LYS 5 -4.117 -2.771 -11.763 36 2HE LYS 5 HE1 LYS 5 -5.114 -1.465 -11.122 37 1HZ LYS 5 HZ1 LYS 5 -5.893 -3.841 -12.581 38 2HZ LYS 5 HZ2 LYS 5 -6.683 -2.424 -13.062 39 3HZ LYS 5 HZ3 LYS 5 -6.762 -2.931 -11.450 40 H LYS 6 HN LYS 6 -3.163 -0.317 -17.696 41 HA LYS 6 HA LYS 6 -0.821 1.308 -17.850 42 1HB LYS 6 HB2 LYS 6 -3.438 1.193 -19.123 43 2HB LYS 6 HB1 LYS 6 -2.935 2.847 -18.802 44 1HG LYS 6 HG2 LYS 6 -0.685 1.573 -19.868 45 2HG LYS 6 HG1 LYS 6 -2.053 1.032 -20.842 46 1HD LYS 6 HD2 LYS 6 -2.562 3.176 -21.552 47 2HD LYS 6 HD1 LYS 6 -1.751 3.931 -20.179 48 1HE LYS 6 HE2 LYS 6 0.344 2.703 -21.328 49 2HE LYS 6 HE1 LYS 6 -0.654 2.984 -22.754 50 1HZ LYS 6 HZ1 LYS 6 -0.523 5.255 -22.504 51 2HZ LYS 6 HZ2 LYS 6 1.020 4.778 -22.003 52 3HZ LYS 6 HZ3 LYS 6 -0.155 5.177 -20.854 53 H LEU 7 HN LEU 7 -0.160 2.551 -16.232 54 HA LEU 7 HA LEU 7 -2.186 4.011 -14.664 55 1HB LEU 7 HB2 LEU 7 -0.548 3.972 -12.794 56 2HB LEU 7 HB1 LEU 7 -1.163 2.392 -13.241 57 HG LEU 7 HG LEU 7 1.149 2.636 -14.754 58 1HD1 LEU 7 HD11 LEU 7 1.527 3.886 -12.047 59 2HD1 LEU 7 HD12 LEU 7 1.966 4.542 -13.625 60 3HD1 LEU 7 HD13 LEU 7 2.848 3.164 -12.967 61 1HD2 LEU 7 HD21 LEU 7 2.048 1.107 -12.840 62 2HD2 LEU 7 HD22 LEU 7 0.709 0.564 -13.851 63 3HD2 LEU 7 HD23 LEU 7 0.391 1.212 -12.242 64 H HIS 8 HN HIS 8 -1.537 6.099 -13.842 65 HA HIS 8 HA HIS 8 0.415 7.415 -15.610 66 1HB HIS 8 HB2 HIS 8 -2.216 8.259 -14.503 67 2HB HIS 8 HB1 HIS 8 -0.984 9.501 -14.702 68 HD1 HIS 8 HD1 HIS 8 -1.613 10.730 -16.759 69 HD2 HIS 8 HD2 HIS 8 -1.961 6.618 -17.242 70 HE1 HIS 8 HE1 HIS 8 -2.218 10.385 -19.176 71 HE2 HIS 8 HE2 HIS 8 -2.332 7.885 -19.465 72 H LYS 9 HN LYS 9 0.361 6.180 -12.645 73 HA LYS 9 HA LYS 9 1.563 6.502 -10.747 74 1HB LYS 9 HB2 LYS 9 3.324 7.038 -12.532 75 2HB LYS 9 HB1 LYS 9 3.020 8.729 -12.157 76 1HG LYS 9 HG2 LYS 9 4.835 8.259 -10.829 77 2HG LYS 9 HG1 LYS 9 3.493 8.007 -9.711 78 1HD LYS 9 HD2 LYS 9 4.621 5.740 -11.320 79 2HD LYS 9 HD1 LYS 9 5.363 6.238 -9.799 80 1HE LYS 9 HE2 LYS 9 2.720 6.096 -9.129 81 2HE LYS 9 HE1 LYS 9 2.869 4.785 -10.297 82 1HZ LYS 9 HZ1 LYS 9 5.051 4.478 -8.707 83 2HZ LYS 9 HZ2 LYS 9 3.612 3.598 -8.583 84 3HZ LYS 9 HZ3 LYS 9 3.856 4.959 -7.610 85 H GLU 10 HN GLU 10 1.534 7.733 -8.863 86 HA GLU 10 HA GLU 10 0.615 10.471 -8.933 87 1HB GLU 10 HB2 GLU 10 -1.151 8.212 -8.145 88 2HB GLU 10 HB1 GLU 10 -1.236 9.684 -7.188 89 1HG GLU 10 HG2 GLU 10 -1.723 9.415 -10.144 90 2HG GLU 10 HG1 GLU 10 -2.917 9.748 -8.891 91 HA PRO 11 HA PRO 11 3.157 9.996 -5.239 92 1HB PRO 11 HB2 PRO 11 4.139 12.472 -5.190 93 2HB PRO 11 HB1 PRO 11 4.659 11.318 -6.423 94 1HG PRO 11 HG2 PRO 11 2.772 13.612 -6.650 95 2HG PRO 11 HG1 PRO 11 3.930 12.988 -7.835 96 1HD PRO 11 HD2 PRO 11 1.173 12.450 -7.759 97 2HD PRO 11 HD1 PRO 11 2.382 11.584 -8.721 98 H ALA 12 HN ALA 12 1.716 9.794 -3.560 99 HA ALA 12 HA ALA 12 0.404 12.261 -2.617 100 1HB ALA 12 HB1 ALA 12 -0.527 9.460 -2.788 101 2HB ALA 12 HB2 ALA 12 -1.425 10.969 -2.956 102 3HB ALA 12 HB3 ALA 12 -1.003 10.368 -1.352 103 H THR 13 HN THR 13 0.256 12.565 -0.310 104 HA THR 13 HA THR 13 2.647 11.605 1.032 105 HB THR 13 HB THR 13 0.585 13.641 1.893 106 HG1 THR 13 HG1 THR 13 3.153 13.895 0.733 107 1HG2 THR 13 HG21 THR 13 3.152 12.771 3.154 108 2HG2 THR 13 HG22 THR 13 1.568 13.002 3.896 109 3HG2 THR 13 HG23 THR 13 2.514 14.399 3.385 110 H LEU 14 HN LEU 14 2.508 9.708 1.973 111 HA LEU 14 HA LEU 14 0.066 8.640 3.056 112 1HB LEU 14 HB2 LEU 14 1.857 7.315 1.892 113 2HB LEU 14 HB1 LEU 14 2.887 7.609 3.269 114 HG LEU 14 HG LEU 14 2.173 5.526 3.815 115 1HD1 LEU 14 HD11 LEU 14 0.242 5.551 5.352 116 2HD1 LEU 14 HD12 LEU 14 -0.115 7.195 4.831 117 3HD1 LEU 14 HD13 LEU 14 1.400 6.845 5.661 118 1HD2 LEU 14 HD21 LEU 14 0.559 5.777 1.677 119 2HD2 LEU 14 HD22 LEU 14 -0.637 5.685 2.969 120 3HD2 LEU 14 HD23 LEU 14 0.545 4.392 2.768 121 H ILE 15 HN ILE 15 -0.662 9.370 4.967 122 HA ILE 15 HA ILE 15 1.086 10.559 6.890 123 HB ILE 15 HB ILE 15 -0.902 10.750 8.331 124 1HG1 ILE 15 HG12 ILE 15 -3.095 10.174 6.943 125 2HG1 ILE 15 HG11 ILE 15 -2.043 8.948 6.249 126 1HG2 ILE 15 HG21 ILE 15 -2.296 12.055 6.535 127 2HG2 ILE 15 HG22 ILE 15 -0.899 11.711 5.513 128 3HG2 ILE 15 HG23 ILE 15 -0.693 12.614 7.015 129 1HD1 ILE 15 HD11 ILE 15 -1.655 8.793 9.008 130 2HD1 ILE 15 HD12 ILE 15 -2.529 7.662 7.976 131 3HD1 ILE 15 HD13 ILE 15 -3.393 8.977 8.774 132 H LYS 16 HN LYS 16 -0.767 7.513 6.764 133 HA LYS 16 HA LYS 16 1.176 6.053 8.159 134 1HB LYS 16 HB2 LYS 16 0.409 5.875 10.356 135 2HB LYS 16 HB1 LYS 16 0.262 7.588 10.007 136 1HG LYS 16 HG2 LYS 16 -1.880 7.534 10.546 137 2HG LYS 16 HG1 LYS 16 -2.189 6.318 9.309 138 1HD LYS 16 HD2 LYS 16 -1.170 4.696 11.111 139 2HD LYS 16 HD1 LYS 16 -1.659 5.977 12.223 140 1HE LYS 16 HE2 LYS 16 -3.582 4.926 10.186 141 2HE LYS 16 HE1 LYS 16 -3.309 4.044 11.687 142 1HZ LYS 16 HZ1 LYS 16 -5.194 5.718 11.648 143 2HZ LYS 16 HZ2 LYS 16 -4.003 6.918 11.679 144 3HZ LYS 16 HZ3 LYS 16 -4.121 5.812 12.953 145 H ALA 17 HN ALA 17 0.219 3.925 9.059 146 HA ALA 17 HA ALA 17 -1.728 2.965 7.082 147 1HB ALA 17 HB1 ALA 17 -0.003 1.530 6.794 148 2HB ALA 17 HB2 ALA 17 -0.765 0.698 8.149 149 3HB ALA 17 HB3 ALA 17 0.610 1.767 8.430 150 H ILE 18 HN ILE 18 -3.494 1.674 7.706 151 HA ILE 18 HA ILE 18 -4.352 2.134 10.465 152 HB ILE 18 HB ILE 18 -6.017 1.102 8.170 153 1HG1 ILE 18 HG12 ILE 18 -6.308 3.887 9.169 154 2HG1 ILE 18 HG11 ILE 18 -4.908 3.545 8.155 155 1HG2 ILE 18 HG21 ILE 18 -7.796 1.127 9.551 156 2HG2 ILE 18 HG22 ILE 18 -7.231 2.551 10.425 157 3HG2 ILE 18 HG23 ILE 18 -6.568 0.961 10.804 158 1HD1 ILE 18 HD11 ILE 18 -7.702 2.826 7.334 159 2HD1 ILE 18 HD12 ILE 18 -6.254 2.931 6.331 160 3HD1 ILE 18 HD13 ILE 18 -6.979 4.397 6.991 161 H ASP 19 HN ASP 19 -5.021 -0.546 8.198 162 HA ASP 19 HA ASP 19 -4.407 -2.403 10.403 163 1HB ASP 19 HB2 ASP 19 -6.367 -2.911 8.162 164 2HB ASP 19 HB1 ASP 19 -6.132 -3.872 9.619 165 H GLY 20 HN GLY 20 -2.376 -1.570 8.680 166 1HA GLY 20 HA2 GLY 20 -0.583 -2.705 7.717 167 2HA GLY 20 HA1 GLY 20 -1.591 -4.138 7.591 168 H ASP 21 HN ASP 21 -3.662 -3.408 6.057 169 HA ASP 21 HA ASP 21 -2.365 -2.838 3.500 170 1HB ASP 21 HB2 ASP 21 -4.766 -4.357 4.353 171 2HB ASP 21 HB1 ASP 21 -4.876 -3.537 2.800 172 H THR 22 HN THR 22 -5.369 -1.969 5.215 173 HA THR 22 HA THR 22 -5.970 0.210 3.494 174 HB THR 22 HB THR 22 -6.942 -0.064 6.333 175 HG1 THR 22 HG1 THR 22 -7.879 -1.452 4.046 176 1HG2 THR 22 HG21 THR 22 -7.895 1.320 3.904 177 2HG2 THR 22 HG22 THR 22 -8.005 1.789 5.601 178 3HG2 THR 22 HG23 THR 22 -9.109 0.579 4.946 179 H VAL 23 HN VAL 23 -4.589 1.860 3.316 180 HA VAL 23 HA VAL 23 -3.616 3.114 5.799 181 HB VAL 23 HB VAL 23 -1.553 3.739 4.646 182 1HG1 VAL 23 HG11 VAL 23 -0.477 1.705 4.886 183 2HG1 VAL 23 HG12 VAL 23 -1.823 0.793 4.203 184 3HG1 VAL 23 HG13 VAL 23 -1.945 1.460 5.832 185 1HG2 VAL 23 HG21 VAL 23 -2.974 3.242 2.325 186 2HG2 VAL 23 HG22 VAL 23 -1.815 1.915 2.396 187 3HG2 VAL 23 HG23 VAL 23 -1.248 3.584 2.437 188 H LYS 24 HN LYS 24 -3.119 5.421 5.599 189 HA LYS 24 HA LYS 24 -5.066 6.725 3.850 190 1HB LYS 24 HB2 LYS 24 -5.289 7.383 6.130 191 2HB LYS 24 HB1 LYS 24 -3.560 7.662 6.290 192 1HG LYS 24 HG2 LYS 24 -4.788 9.759 6.168 193 2HG LYS 24 HG1 LYS 24 -3.712 9.570 4.780 194 1HD LYS 24 HD2 LYS 24 -5.513 10.084 3.548 195 2HD LYS 24 HD1 LYS 24 -6.044 8.436 3.884 196 1HE LYS 24 HE2 LYS 24 -7.770 10.171 4.340 197 2HE LYS 24 HE1 LYS 24 -7.371 9.169 5.734 198 1HZ LYS 24 HZ1 LYS 24 -7.493 11.802 5.853 199 2HZ LYS 24 HZ2 LYS 24 -5.865 11.644 5.424 200 3HZ LYS 24 HZ3 LYS 24 -6.444 10.899 6.827 201 H LEU 25 HN LEU 25 -4.537 8.286 2.387 202 HA LEU 25 HA LEU 25 -1.719 8.985 2.018 203 1HB LEU 25 HB2 LEU 25 -3.465 7.508 0.111 204 2HB LEU 25 HB1 LEU 25 -2.356 8.691 -0.547 205 HG LEU 25 HG LEU 25 -0.990 6.935 1.296 206 1HD1 LEU 25 HD11 LEU 25 -2.228 5.586 -1.096 207 2HD1 LEU 25 HD12 LEU 25 -2.812 5.391 0.559 208 3HD1 LEU 25 HD13 LEU 25 -1.189 4.864 0.133 209 1HD2 LEU 25 HD21 LEU 25 0.046 8.370 -0.429 210 2HD2 LEU 25 HD22 LEU 25 -0.684 7.353 -1.673 211 3HD2 LEU 25 HD23 LEU 25 0.517 6.676 -0.572 212 H MET 26 HN MET 26 -1.626 11.150 1.933 213 HA MET 26 HA MET 26 -3.958 12.769 1.386 214 1HB MET 26 HB2 MET 26 -1.197 13.175 2.272 215 2HB MET 26 HB1 MET 26 -1.714 14.415 1.140 216 1HG MET 26 HG2 MET 26 -3.378 15.187 2.545 217 2HG MET 26 HG1 MET 26 -3.435 13.686 3.465 218 1HE MET 26 HE1 MET 26 -2.246 14.226 6.324 219 2HE MET 26 HE2 MET 26 -3.667 14.737 5.415 220 3HE MET 26 HE3 MET 26 -2.636 15.940 6.188 221 H TYR 27 HN TYR 27 -4.697 12.460 -0.661 222 HA TYR 27 HA TYR 27 -2.846 12.523 -2.908 223 1HB TYR 27 HB2 TYR 27 -4.533 10.721 -2.715 224 2HB TYR 27 HB1 TYR 27 -5.801 11.927 -2.865 225 HD1 TYR 27 HD1 TYR 27 -3.952 9.560 -4.609 226 HD2 TYR 27 HD2 TYR 27 -5.502 13.494 -5.011 227 HE1 TYR 27 HE1 TYR 27 -3.879 9.329 -7.055 228 HE2 TYR 27 HE2 TYR 27 -5.447 13.287 -7.443 229 HH TYR 27 HH TYR 27 -4.205 11.955 -9.154 230 H LYS 28 HN LYS 28 -2.314 14.510 -3.509 231 HA LYS 28 HA LYS 28 -2.477 16.753 -3.976 232 1HB LYS 28 HB2 LYS 28 -3.680 15.145 -5.881 233 2HB LYS 28 HB1 LYS 28 -4.848 16.435 -5.640 234 1HG LYS 28 HG2 LYS 28 -1.942 16.810 -6.329 235 2HG LYS 28 HG1 LYS 28 -3.296 16.937 -7.453 236 1HD LYS 28 HD2 LYS 28 -3.605 19.063 -6.878 237 2HD LYS 28 HD1 LYS 28 -3.818 18.598 -5.189 238 1HE LYS 28 HE2 LYS 28 -1.132 18.419 -5.417 239 2HE LYS 28 HE1 LYS 28 -1.466 19.708 -6.573 240 1HZ LYS 28 HZ1 LYS 28 -2.803 19.929 -4.004 241 2HZ LYS 28 HZ2 LYS 28 -2.071 21.124 -4.951 242 3HZ LYS 28 HZ3 LYS 28 -1.122 20.124 -3.973 243 H GLY 29 HN GLY 29 -3.526 16.635 -1.547 244 1HA GLY 29 HA2 GLY 29 -4.706 18.199 -0.261 245 2HA GLY 29 HA1 GLY 29 -5.628 18.643 -1.687 246 H GLN 30 HN GLN 30 -5.962 15.532 -1.977 247 HA GLN 30 HA GLN 30 -8.169 15.324 -0.032 248 1HB GLN 30 HB2 GLN 30 -8.454 13.662 -2.424 249 2HB GLN 30 HB1 GLN 30 -9.629 14.708 -1.644 250 1HG GLN 30 HG2 GLN 30 -9.478 15.863 -3.557 251 2HG GLN 30 HG1 GLN 30 -8.038 16.549 -2.810 252 1HE2 GLN 30 HE21 GLN 30 -8.539 13.330 -4.183 253 2HE2 GLN 30 HE22 GLN 30 -7.312 13.465 -5.387 254 HA PRO 31 HA PRO 31 -5.441 11.798 0.856 255 1HB PRO 31 HB2 PRO 31 -6.574 11.897 3.538 256 2HB PRO 31 HB1 PRO 31 -4.902 12.149 3.027 257 1HG PRO 31 HG2 PRO 31 -6.453 14.159 3.967 258 2HG PRO 31 HG1 PRO 31 -5.193 14.415 2.748 259 1HD PRO 31 HD2 PRO 31 -8.138 14.091 2.365 260 2HD PRO 31 HD1 PRO 31 -7.053 15.285 1.632 261 H MET 32 HN MET 32 -6.417 10.200 -0.247 262 HA MET 32 HA MET 32 -8.921 9.034 0.774 263 1HB MET 32 HB2 MET 32 -7.374 8.325 -1.734 264 2HB MET 32 HB1 MET 32 -9.010 7.833 -1.323 265 1HG MET 32 HG2 MET 32 -9.164 10.567 -1.227 266 2HG MET 32 HG1 MET 32 -8.042 10.285 -2.554 267 1HE MET 32 HE1 MET 32 -10.524 10.416 -5.204 268 2HE MET 32 HE2 MET 32 -8.994 10.910 -4.480 269 3HE MET 32 HE3 MET 32 -10.503 11.645 -3.939 270 H THR 33 HN THR 33 -8.978 6.802 1.349 271 HA THR 33 HA THR 33 -6.502 5.839 2.448 272 HB THR 33 HB THR 33 -9.114 4.350 2.387 273 HG1 THR 33 HG1 THR 33 -9.865 5.610 3.891 274 1HG2 THR 33 HG21 THR 33 -8.370 3.419 4.497 275 2HG2 THR 33 HG22 THR 33 -6.872 4.344 4.386 276 3HG2 THR 33 HG23 THR 33 -7.211 3.069 3.214 277 H PHE 34 HN PHE 34 -5.683 3.625 1.993 278 HA PHE 34 HA PHE 34 -6.291 2.623 -0.659 279 1HB PHE 34 HB2 PHE 34 -3.581 3.617 0.178 280 2HB PHE 34 HB1 PHE 34 -3.846 2.570 -1.214 281 HD1 PHE 34 HD1 PHE 34 -4.612 3.428 -3.258 282 HD2 PHE 34 HD2 PHE 34 -4.681 5.875 0.218 283 HE1 PHE 34 HE1 PHE 34 -5.156 5.383 -4.646 284 HE2 PHE 34 HE2 PHE 34 -5.220 7.835 -1.169 285 HZ PHE 34 HZ PHE 34 -5.465 7.591 -3.602 286 H ARG 35 HN ARG 35 -6.238 0.474 -0.778 287 HA ARG 35 HA ARG 35 -4.823 -1.006 1.323 288 1HB ARG 35 HB2 ARG 35 -7.060 -0.979 2.080 289 2HB ARG 35 HB1 ARG 35 -7.693 -1.251 0.462 290 1HG ARG 35 HG2 ARG 35 -6.011 -3.447 1.160 291 2HG ARG 35 HG1 ARG 35 -7.124 -3.146 2.493 292 1HD ARG 35 HD2 ARG 35 -7.954 -4.753 0.757 293 2HD ARG 35 HD1 ARG 35 -9.016 -3.383 1.076 294 HE ARG 35 HE ARG 35 -7.470 -2.587 -1.031 295 1HH1 ARG 35 HH11 ARG 35 -9.594 -5.287 -0.413 296 2HH1 ARG 35 HH12 ARG 35 -10.061 -5.458 -2.072 297 1HH2 ARG 35 HH21 ARG 35 -8.084 -2.812 -3.211 298 2HH2 ARG 35 HH22 ARG 35 -9.203 -4.056 -3.659 299 H LEU 36 HN LEU 36 -3.369 -2.248 0.375 300 HA LEU 36 HA LEU 36 -3.849 -4.360 -1.292 301 1HB LEU 36 HB2 LEU 36 -4.096 -2.005 -2.790 302 2HB LEU 36 HB1 LEU 36 -2.521 -2.644 -3.207 303 HG LEU 36 HG LEU 36 -3.854 -4.892 -3.524 304 1HD1 LEU 36 HD11 LEU 36 -5.989 -4.114 -2.734 305 2HD1 LEU 36 HD12 LEU 36 -6.097 -4.443 -4.464 306 3HD1 LEU 36 HD13 LEU 36 -5.972 -2.780 -3.889 307 1HD2 LEU 36 HD21 LEU 36 -2.869 -4.310 -5.458 308 2HD2 LEU 36 HD22 LEU 36 -3.303 -2.609 -5.290 309 3HD2 LEU 36 HD23 LEU 36 -4.487 -3.765 -5.903 310 H LEU 37 HN LEU 37 -1.370 -1.876 -1.859 311 HA LEU 37 HA LEU 37 0.896 -1.939 -1.699 312 1HB LEU 37 HB2 LEU 37 0.008 -3.307 0.817 313 2HB LEU 37 HB1 LEU 37 1.715 -3.107 0.466 314 HG LEU 37 HG LEU 37 0.035 -0.672 0.282 315 1HD1 LEU 37 HD11 LEU 37 0.497 -2.198 2.806 316 2HD1 LEU 37 HD12 LEU 37 -0.936 -1.323 2.268 317 3HD1 LEU 37 HD13 LEU 37 0.479 -0.435 2.832 318 1HD2 LEU 37 HD21 LEU 37 2.321 -0.369 -0.154 319 2HD2 LEU 37 HD22 LEU 37 2.802 -1.378 1.209 320 3HD2 LEU 37 HD23 LEU 37 2.091 0.209 1.496 321 H LEU 38 HN LEU 38 0.558 -5.084 -0.134 322 HA LEU 38 HA LEU 38 1.618 -6.374 -2.550 323 1HB LEU 38 HB2 LEU 38 3.285 -5.812 -0.564 324 2HB LEU 38 HB1 LEU 38 2.604 -7.280 0.111 325 HG LEU 38 HG LEU 38 3.419 -7.615 -2.667 326 1HD1 LEU 38 HD11 LEU 38 5.293 -6.381 -0.749 327 2HD1 LEU 38 HD12 LEU 38 5.268 -6.329 -2.512 328 3HD1 LEU 38 HD13 LEU 38 5.903 -7.749 -1.680 329 1HD2 LEU 38 HD21 LEU 38 3.588 -9.027 -0.075 330 2HD2 LEU 38 HD22 LEU 38 4.818 -9.416 -1.277 331 3HD2 LEU 38 HD23 LEU 38 3.109 -9.622 -1.665 332 H VAL 39 HN VAL 39 -0.209 -7.472 -3.074 333 HA VAL 39 HA VAL 39 -1.979 -8.680 -1.260 334 HB VAL 39 HB VAL 39 -2.602 -8.199 -3.583 335 1HG1 VAL 39 HG11 VAL 39 -0.219 -9.256 -4.290 336 2HG1 VAL 39 HG12 VAL 39 -1.566 -9.023 -5.405 337 3HG1 VAL 39 HG13 VAL 39 -1.294 -10.602 -4.668 338 1HG2 VAL 39 HG21 VAL 39 -4.125 -9.864 -3.665 339 2HG2 VAL 39 HG22 VAL 39 -3.449 -10.270 -2.087 340 3HG2 VAL 39 HG23 VAL 39 -2.907 -11.132 -3.527 341 H ASP 40 HN ASP 40 -1.416 -10.204 0.149 342 HA ASP 40 HA ASP 40 0.022 -12.559 -0.849 343 1HB ASP 40 HB2 ASP 40 0.879 -10.702 1.266 344 2HB ASP 40 HB1 ASP 40 0.940 -12.402 1.722 345 H THR 41 HN THR 41 0.082 -14.127 1.325 346 HA THR 41 HA THR 41 -2.721 -14.294 2.212 347 HB THR 41 HB THR 41 -2.520 -16.011 0.622 348 HG1 THR 41 HG1 THR 41 -2.877 -17.765 1.842 349 1HG2 THR 41 HG21 THR 41 -0.712 -17.640 0.557 350 2HG2 THR 41 HG22 THR 41 0.118 -16.772 1.849 351 3HG2 THR 41 HG23 THR 41 -0.125 -16.001 0.281 352 HA PRO 42 HA PRO 42 -0.630 -14.106 6.197 353 1HB PRO 42 HB2 PRO 42 -3.364 -14.477 7.236 354 2HB PRO 42 HB1 PRO 42 -2.228 -13.158 7.520 355 1HG PRO 42 HG2 PRO 42 -4.407 -12.824 6.004 356 2HG PRO 42 HG1 PRO 42 -2.875 -12.012 5.635 357 1HD PRO 42 HD2 PRO 42 -4.086 -14.439 4.365 358 2HD PRO 42 HD1 PRO 42 -3.240 -13.073 3.606 359 H GLU 43 HN GLU 43 0.421 -15.945 6.685 360 HA GLU 43 HA GLU 43 0.824 -18.002 7.557 361 1HB GLU 43 HB2 GLU 43 -1.744 -17.277 8.624 362 2HB GLU 43 HB1 GLU 43 -1.698 -19.007 8.315 363 1HG GLU 43 HG2 GLU 43 0.330 -19.198 9.655 364 2HG GLU 43 HG1 GLU 43 0.297 -17.460 9.955 365 H THR 44 HN THR 44 -2.268 -18.031 5.743 366 HA THR 44 HA THR 44 -1.869 -20.712 4.841 367 HB THR 44 HB THR 44 -3.713 -19.026 3.287 368 HG1 THR 44 HG1 THR 44 -4.683 -18.133 4.898 369 1HG2 THR 44 HG21 THR 44 -4.183 -21.492 4.945 370 2HG2 THR 44 HG22 THR 44 -3.795 -21.474 3.225 371 3HG2 THR 44 HG23 THR 44 -5.306 -20.765 3.796 372 H LYS 45 HN LYS 45 -1.986 -21.205 2.446 373 HA LYS 45 HA LYS 45 -0.147 -19.432 0.976 374 1HB LYS 45 HB2 LYS 45 0.697 -21.744 1.783 375 2HB LYS 45 HB1 LYS 45 -0.320 -22.397 0.505 376 1HG LYS 45 HG2 LYS 45 1.295 -22.035 -0.959 377 2HG LYS 45 HG1 LYS 45 1.214 -20.305 -0.622 378 1HD LYS 45 HD2 LYS 45 3.477 -21.151 -0.291 379 2HD LYS 45 HD1 LYS 45 2.785 -20.592 1.233 380 1HE LYS 45 HE2 LYS 45 2.261 -23.410 0.707 381 2HE LYS 45 HE1 LYS 45 3.981 -23.034 0.790 382 1HZ LYS 45 HZ1 LYS 45 2.452 -23.531 2.922 383 2HZ LYS 45 HZ2 LYS 45 2.360 -21.843 2.872 384 3HZ LYS 45 HZ3 LYS 45 3.867 -22.604 2.973 385 H HIS 46 HN HIS 46 -3.161 -21.060 0.991 386 HA HIS 46 HA HIS 46 -3.567 -21.252 -1.816 387 1HB HIS 46 HB2 HIS 46 -5.126 -21.701 0.623 388 2HB HIS 46 HB1 HIS 46 -6.092 -21.095 -0.717 389 HD1 HIS 46 HD1 HIS 46 -4.370 -22.663 -2.924 390 HD2 HIS 46 HD2 HIS 46 -6.142 -24.278 0.469 391 HE1 HIS 46 HE1 HIS 46 -4.687 -25.105 -3.430 392 HE2 HIS 46 HE2 HIS 46 -5.842 -26.044 -1.396 393 HA PRO 47 HA PRO 47 -4.994 -17.390 -3.369 394 1HB PRO 47 HB2 PRO 47 -7.818 -18.356 -3.162 395 2HB PRO 47 HB1 PRO 47 -7.000 -17.559 -4.512 396 1HG PRO 47 HG2 PRO 47 -7.408 -20.189 -4.539 397 2HG PRO 47 HG1 PRO 47 -5.900 -19.495 -5.160 398 1HD PRO 47 HD2 PRO 47 -6.400 -20.982 -2.637 399 2HD PRO 47 HD1 PRO 47 -4.930 -20.893 -3.625 400 H LYS 48 HN LYS 48 -4.429 -16.216 -1.487 401 HA LYS 48 HA LYS 48 -6.750 -15.353 0.101 402 1HB LYS 48 HB2 LYS 48 -4.290 -16.559 1.026 403 2HB LYS 48 HB1 LYS 48 -4.477 -14.946 1.699 404 1HG LYS 48 HG2 LYS 48 -6.512 -17.159 1.866 405 2HG LYS 48 HG1 LYS 48 -5.413 -16.668 3.156 406 1HD LYS 48 HD2 LYS 48 -6.480 -14.590 3.421 407 2HD LYS 48 HD1 LYS 48 -7.318 -14.730 1.874 408 1HE LYS 48 HE2 LYS 48 -7.841 -16.797 3.944 409 2HE LYS 48 HE1 LYS 48 -8.540 -15.196 4.177 410 1HZ LYS 48 HZ1 LYS 48 -9.699 -17.138 2.762 411 2HZ LYS 48 HZ2 LYS 48 -8.878 -16.323 1.528 412 3HZ LYS 48 HZ3 LYS 48 -9.983 -15.490 2.501 413 H LYS 49 HN LYS 49 -6.320 -13.168 1.163 414 HA LYS 49 HA LYS 49 -4.589 -11.495 -0.523 415 1HB LYS 49 HB2 LYS 49 -7.402 -11.540 -0.634 416 2HB LYS 49 HB1 LYS 49 -6.976 -10.059 0.212 417 1HG LYS 49 HG2 LYS 49 -5.983 -9.137 -1.613 418 2HG LYS 49 HG1 LYS 49 -5.496 -10.698 -2.276 419 1HD LYS 49 HD2 LYS 49 -7.734 -11.154 -3.008 420 2HD LYS 49 HD1 LYS 49 -8.346 -9.719 -2.182 421 1HE LYS 49 HE2 LYS 49 -6.181 -9.208 -4.096 422 2HE LYS 49 HE1 LYS 49 -7.666 -9.829 -4.814 423 1HZ LYS 49 HZ1 LYS 49 -7.148 -7.268 -3.550 424 2HZ LYS 49 HZ2 LYS 49 -8.646 -7.969 -3.190 425 3HZ LYS 49 HZ3 LYS 49 -8.220 -7.665 -4.799 426 H GLY 50 HN GLY 50 -3.778 -9.621 0.421 427 1HA GLY 50 HA2 GLY 50 -2.979 -8.308 2.119 428 2HA GLY 50 HA1 GLY 50 -4.513 -8.593 2.924 429 H VAL 51 HN VAL 51 -1.352 -8.753 3.425 430 HA VAL 51 HA VAL 51 -0.991 -11.334 4.567 431 HB VAL 51 HB VAL 51 0.943 -10.109 5.811 432 1HG1 VAL 51 HG11 VAL 51 2.257 -10.936 4.209 433 2HG1 VAL 51 HG12 VAL 51 1.515 -9.945 2.953 434 3HG1 VAL 51 HG13 VAL 51 0.752 -11.455 3.450 435 1HG2 VAL 51 HG21 VAL 51 0.029 -7.838 5.363 436 2HG2 VAL 51 HG22 VAL 51 0.378 -8.084 3.651 437 3HG2 VAL 51 HG23 VAL 51 1.692 -8.062 4.823 438 H GLU 52 HN GLU 52 -0.519 -11.719 6.869 439 HA GLU 52 HA GLU 52 -2.688 -11.083 8.500 440 1HB GLU 52 HB2 GLU 52 -1.064 -11.835 10.388 441 2HB GLU 52 HB1 GLU 52 -1.562 -13.001 9.173 442 1HG GLU 52 HG2 GLU 52 0.532 -13.339 8.536 443 2HG GLU 52 HG1 GLU 52 0.814 -11.611 8.331 444 H LYS 53 HN LYS 53 -2.441 -10.086 10.724 445 HA LYS 53 HA LYS 53 -1.403 -7.386 10.384 446 1HB LYS 53 HB2 LYS 53 -3.617 -8.507 11.727 447 2HB LYS 53 HB1 LYS 53 -2.559 -7.879 12.983 448 1HG LYS 53 HG2 LYS 53 -2.967 -6.062 10.721 449 2HG LYS 53 HG1 LYS 53 -4.423 -6.429 11.647 450 1HD LYS 53 HD2 LYS 53 -3.331 -5.733 13.698 451 2HD LYS 53 HD1 LYS 53 -1.823 -5.450 12.825 452 1HE LYS 53 HE2 LYS 53 -2.571 -3.325 12.750 453 2HE LYS 53 HE1 LYS 53 -3.506 -3.920 11.379 454 1HZ LYS 53 HZ1 LYS 53 -5.335 -4.381 12.974 455 2HZ LYS 53 HZ2 LYS 53 -4.963 -2.738 12.819 456 3HZ LYS 53 HZ3 LYS 53 -4.439 -3.597 14.178 457 H TYR 54 HN TYR 54 0.794 -7.489 10.620 458 HA TYR 54 HA TYR 54 1.893 -8.900 12.928 459 1HB TYR 54 HB2 TYR 54 4.083 -7.880 11.702 460 2HB TYR 54 HB1 TYR 54 3.352 -9.423 11.276 461 HD1 TYR 54 HD1 TYR 54 1.689 -9.466 9.345 462 HD2 TYR 54 HD2 TYR 54 4.234 -6.144 10.122 463 HE1 TYR 54 HE1 TYR 54 1.316 -8.653 7.054 464 HE2 TYR 54 HE2 TYR 54 3.864 -5.325 7.836 465 HH TYR 54 HH TYR 54 3.207 -6.415 5.573 466 H GLY 55 HN GLY 55 1.577 -5.617 11.671 467 1HA GLY 55 HA2 GLY 55 1.359 -3.766 13.151 468 2HA GLY 55 HA1 GLY 55 2.285 -4.649 14.348 469 HA PRO 56 HA PRO 56 6.065 -2.562 13.564 470 1HB PRO 56 HB2 PRO 56 7.212 -5.131 12.557 471 2HB PRO 56 HB1 PRO 56 7.875 -3.986 13.732 472 1HG PRO 56 HG2 PRO 56 6.754 -6.229 14.576 473 2HG PRO 56 HG1 PRO 56 6.442 -4.704 15.429 474 1HD PRO 56 HD2 PRO 56 4.687 -6.222 13.554 475 2HD PRO 56 HD1 PRO 56 4.251 -5.296 15.005 476 H GLU 57 HN GLU 57 5.729 -4.995 10.950 477 HA GLU 57 HA GLU 57 6.929 -3.164 9.084 478 1HB GLU 57 HB2 GLU 57 7.356 -5.604 9.012 479 2HB GLU 57 HB1 GLU 57 5.689 -5.847 8.521 480 1HG GLU 57 HG2 GLU 57 7.213 -3.928 6.904 481 2HG GLU 57 HG1 GLU 57 7.749 -5.603 6.811 482 H ALA 58 HN ALA 58 3.761 -3.719 10.152 483 HA ALA 58 HA ALA 58 2.534 -2.909 7.656 484 1HB ALA 58 HB1 ALA 58 1.075 -4.396 8.491 485 2HB ALA 58 HB2 ALA 58 0.473 -3.013 9.405 486 3HB ALA 58 HB3 ALA 58 1.606 -4.139 10.153 487 H SER 59 HN SER 59 2.161 -1.779 11.021 488 HA SER 59 HA SER 59 1.439 0.854 10.000 489 1HB SER 59 HB2 SER 59 0.038 -0.190 11.747 490 2HB SER 59 HB1 SER 59 1.423 -0.192 12.840 491 HG SER 59 HG SER 59 -0.182 1.641 12.903 492 H ALA 60 HN ALA 60 3.859 -0.632 12.116 493 HA ALA 60 HA ALA 60 5.162 1.793 12.785 494 1HB ALA 60 HB1 ALA 60 6.411 0.522 14.134 495 2HB ALA 60 HB2 ALA 60 6.832 -0.606 12.846 496 3HB ALA 60 HB3 ALA 60 5.295 -0.771 13.694 497 H PHE 61 HN PHE 61 5.476 -0.416 10.074 498 HA PHE 61 HA PHE 61 7.954 0.849 9.209 499 1HB PHE 61 HB2 PHE 61 7.222 -1.663 9.007 500 2HB PHE 61 HB1 PHE 61 6.440 -1.108 7.534 501 HD1 PHE 61 HD1 PHE 61 7.641 -1.131 5.578 502 HD2 PHE 61 HD2 PHE 61 9.728 -0.958 9.281 503 HE1 PHE 61 HE1 PHE 61 9.776 -1.344 4.377 504 HE2 PHE 61 HE2 PHE 61 11.871 -1.166 8.087 505 HZ PHE 61 HZ PHE 61 11.898 -1.356 5.631 506 H THR 62 HN THR 62 4.682 0.368 7.907 507 HA THR 62 HA THR 62 4.891 1.843 5.591 508 HB THR 62 HB THR 62 2.575 1.371 7.457 509 HG1 THR 62 HG1 THR 62 1.978 -0.053 5.789 510 1HG2 THR 62 HG21 THR 62 2.651 3.235 5.250 511 2HG2 THR 62 HG22 THR 62 1.376 2.929 6.430 512 3HG2 THR 62 HG23 THR 62 1.489 1.937 4.976 513 H LYS 63 HN LYS 63 3.374 3.121 8.566 514 HA LYS 63 HA LYS 63 3.294 5.776 7.763 515 1HB LYS 63 HB2 LYS 63 2.022 4.951 9.660 516 2HB LYS 63 HB1 LYS 63 3.503 4.635 10.553 517 1HG LYS 63 HG2 LYS 63 3.025 7.405 9.602 518 2HG LYS 63 HG1 LYS 63 2.060 6.810 10.955 519 1HD LYS 63 HD2 LYS 63 4.326 6.054 11.938 520 2HD LYS 63 HD1 LYS 63 5.029 7.171 10.767 521 1HE LYS 63 HE2 LYS 63 4.117 9.026 11.789 522 2HE LYS 63 HE1 LYS 63 2.813 8.103 12.534 523 1HZ LYS 63 HZ1 LYS 63 4.347 7.180 14.102 524 2HZ LYS 63 HZ2 LYS 63 4.518 8.862 14.124 525 3HZ LYS 63 HZ3 LYS 63 5.667 7.907 13.331 526 H LYS 64 HN LYS 64 5.912 3.970 9.250 527 HA LYS 64 HA LYS 64 7.499 6.255 9.882 528 1HB LYS 64 HB2 LYS 64 7.755 4.116 11.055 529 2HB LYS 64 HB1 LYS 64 8.309 3.362 9.566 530 1HG LYS 64 HG2 LYS 64 9.788 5.755 10.463 531 2HG LYS 64 HG1 LYS 64 9.961 4.297 11.442 532 1HD LYS 64 HD2 LYS 64 10.170 3.891 8.535 533 2HD LYS 64 HD1 LYS 64 11.460 4.856 9.255 534 1HE LYS 64 HE2 LYS 64 12.217 3.118 10.557 535 2HE LYS 64 HE1 LYS 64 10.651 2.310 10.577 536 1HZ LYS 64 HZ1 LYS 64 11.225 2.141 8.001 537 2HZ LYS 64 HZ2 LYS 64 11.698 0.965 9.121 538 3HZ LYS 64 HZ3 LYS 64 12.799 2.147 8.622 539 H MET 65 HN MET 65 7.807 3.769 7.340 540 HA MET 65 HA MET 65 9.996 4.777 6.013 541 1HB MET 65 HB2 MET 65 8.015 2.818 5.515 542 2HB MET 65 HB1 MET 65 8.136 3.801 4.064 543 1HG MET 65 HG2 MET 65 10.744 3.416 4.588 544 2HG MET 65 HG1 MET 65 10.068 1.932 5.256 545 1HE MET 65 HE1 MET 65 11.065 0.171 2.162 546 2HE MET 65 HE2 MET 65 11.354 0.534 3.863 547 3HE MET 65 HE3 MET 65 12.097 1.529 2.612 548 H VAL 66 HN VAL 66 6.743 6.004 6.011 549 HA VAL 66 HA VAL 66 7.356 7.816 3.794 550 HB VAL 66 HB VAL 66 4.985 8.413 3.821 551 1HG1 VAL 66 HG11 VAL 66 4.716 5.499 3.883 552 2HG1 VAL 66 HG12 VAL 66 6.080 6.080 2.928 553 3HG1 VAL 66 HG13 VAL 66 4.447 6.638 2.563 554 1HG2 VAL 66 HG21 VAL 66 3.427 7.115 5.266 555 2HG2 VAL 66 HG22 VAL 66 4.474 8.219 6.159 556 3HG2 VAL 66 HG23 VAL 66 4.827 6.491 6.140 557 H GLU 67 HN GLU 67 7.468 7.788 7.156 558 HA GLU 67 HA GLU 67 6.768 10.573 7.525 559 1HB GLU 67 HB2 GLU 67 7.165 8.259 9.217 560 2HB GLU 67 HB1 GLU 67 8.048 9.645 9.840 561 1HG GLU 67 HG2 GLU 67 5.356 10.338 9.021 562 2HG GLU 67 HG1 GLU 67 5.382 9.072 10.246 563 H ASN 68 HN ASN 68 9.632 8.663 7.029 564 HA ASN 68 HA ASN 68 11.329 10.973 7.664 565 1HB ASN 68 HB2 ASN 68 13.202 9.390 7.650 566 2HB ASN 68 HB1 ASN 68 11.941 8.869 8.763 567 1HD2 ASN 68 HD21 ASN 68 11.845 6.749 8.752 568 2HD2 ASN 68 HD22 ASN 68 11.883 5.734 7.355 569 H ALA 69 HN ALA 69 10.266 8.932 5.053 570 HA ALA 69 HA ALA 69 12.212 10.093 3.215 571 1HB ALA 69 HB1 ALA 69 10.142 8.267 2.178 572 2HB ALA 69 HB2 ALA 69 11.257 7.585 3.363 573 3HB ALA 69 HB3 ALA 69 11.880 8.306 1.877 574 H LYS 70 HN LYS 70 11.749 11.597 1.716 575 HA LYS 70 HA LYS 70 9.056 12.738 1.747 576 1HB LYS 70 HB2 LYS 70 11.766 13.758 1.014 577 2HB LYS 70 HB1 LYS 70 10.359 14.507 0.273 578 1HG LYS 70 HG2 LYS 70 9.455 14.944 2.534 579 2HG LYS 70 HG1 LYS 70 10.950 14.303 3.217 580 1HD LYS 70 HD2 LYS 70 11.240 16.407 1.162 581 2HD LYS 70 HD1 LYS 70 10.556 16.912 2.708 582 1HE LYS 70 HE2 LYS 70 12.574 15.546 3.683 583 2HE LYS 70 HE1 LYS 70 13.265 15.830 2.086 584 1HZ LYS 70 HZ1 LYS 70 12.328 17.911 3.988 585 2HZ LYS 70 HZ2 LYS 70 12.910 18.216 2.430 586 3HZ LYS 70 HZ3 LYS 70 13.937 17.558 3.600 587 H LYS 71 HN LYS 71 9.705 10.236 0.334 588 HA LYS 71 HA LYS 71 8.738 11.045 -2.308 589 1HB LYS 71 HB2 LYS 71 10.215 9.043 -3.158 590 2HB LYS 71 HB1 LYS 71 10.900 10.651 -2.986 591 1HG LYS 71 HG2 LYS 71 11.494 9.742 -0.567 592 2HG LYS 71 HG1 LYS 71 11.399 8.193 -1.405 593 1HD LYS 71 HD2 LYS 71 13.654 8.857 -1.563 594 2HD LYS 71 HD1 LYS 71 12.948 9.204 -3.144 595 1HE LYS 71 HE2 LYS 71 13.799 11.254 -2.912 596 2HE LYS 71 HE1 LYS 71 12.514 11.532 -1.738 597 1HZ LYS 71 HZ1 LYS 71 14.348 10.336 -0.216 598 2HZ LYS 71 HZ2 LYS 71 14.234 12.013 -0.399 599 3HZ LYS 71 HZ3 LYS 71 15.354 11.138 -1.315 600 H ILE 72 HN ILE 72 6.701 10.275 -2.055 601 HA ILE 72 HA ILE 72 6.450 7.373 -1.631 602 HB ILE 72 HB ILE 72 4.474 9.411 -0.606 603 1HG1 ILE 72 HG12 ILE 72 5.646 7.950 1.518 604 2HG1 ILE 72 HG11 ILE 72 6.971 8.534 0.518 605 1HG2 ILE 72 HG21 ILE 72 3.903 6.910 -1.273 606 2HG2 ILE 72 HG22 ILE 72 3.190 7.684 0.142 607 3HG2 ILE 72 HG23 ILE 72 4.565 6.596 0.331 608 1HD1 ILE 72 HD11 ILE 72 6.407 10.079 2.327 609 2HD1 ILE 72 HD12 ILE 72 4.780 10.246 1.665 610 3HD1 ILE 72 HD13 ILE 72 6.172 10.803 0.736 611 H GLU 73 HN GLU 73 6.258 6.973 -3.834 612 HA GLU 73 HA GLU 73 4.030 8.267 -5.237 613 1HB GLU 73 HB2 GLU 73 6.621 7.326 -6.041 614 2HB GLU 73 HB1 GLU 73 5.383 6.494 -6.970 615 1HG GLU 73 HG2 GLU 73 4.862 8.319 -8.144 616 2HG GLU 73 HG1 GLU 73 4.957 9.373 -6.734 617 H VAL 74 HN VAL 74 2.353 7.077 -6.164 618 HA VAL 74 HA VAL 74 2.178 4.285 -5.242 619 HB VAL 74 HB VAL 74 0.637 5.766 -4.019 620 1HG1 VAL 74 HG11 VAL 74 -0.407 7.415 -5.065 621 2HG1 VAL 74 HG12 VAL 74 -1.373 6.225 -5.935 622 3HG1 VAL 74 HG13 VAL 74 0.137 6.812 -6.629 623 1HG2 VAL 74 HG21 VAL 74 -0.120 3.579 -4.078 624 2HG2 VAL 74 HG22 VAL 74 -0.428 3.625 -5.814 625 3HG2 VAL 74 HG23 VAL 74 -1.499 4.480 -4.704 626 H GLU 75 HN GLU 75 1.844 2.776 -6.699 627 HA GLU 75 HA GLU 75 1.405 3.550 -9.475 628 1HB GLU 75 HB2 GLU 75 3.049 1.695 -8.365 629 2HB GLU 75 HB1 GLU 75 1.667 0.688 -8.772 630 1HG GLU 75 HG2 GLU 75 2.547 0.521 -10.798 631 2HG GLU 75 HG1 GLU 75 2.051 2.193 -11.045 632 H PHE 76 HN PHE 76 -0.813 4.058 -7.992 633 HA PHE 76 HA PHE 76 -2.625 1.799 -8.257 634 1HB PHE 76 HB2 PHE 76 -3.836 2.779 -6.626 635 2HB PHE 76 HB1 PHE 76 -2.379 3.706 -6.353 636 HD1 PHE 76 HD1 PHE 76 -5.760 3.985 -6.528 637 HD2 PHE 76 HD2 PHE 76 -2.261 5.813 -8.111 638 HE1 PHE 76 HE1 PHE 76 -7.015 6.066 -6.880 639 HE2 PHE 76 HE2 PHE 76 -3.509 7.902 -8.470 640 HZ PHE 76 HZ PHE 76 -5.893 8.033 -7.855 641 H ASP 77 HN ASP 77 -4.518 1.819 -9.480 642 HA ASP 77 HA ASP 77 -4.325 3.217 -11.975 643 1HB ASP 77 HB2 ASP 77 -5.185 0.830 -11.586 644 2HB ASP 77 HB1 ASP 77 -6.692 1.584 -11.065 645 H LYS 78 HN LYS 78 -6.074 4.445 -12.942 646 HA LYS 78 HA LYS 78 -7.331 6.227 -10.980 647 1HB LYS 78 HB2 LYS 78 -6.114 6.598 -13.598 648 2HB LYS 78 HB1 LYS 78 -7.706 7.338 -13.505 649 1HG LYS 78 HG2 LYS 78 -6.194 7.933 -11.137 650 2HG LYS 78 HG1 LYS 78 -5.283 8.376 -12.582 651 1HD LYS 78 HD2 LYS 78 -6.488 10.292 -12.318 652 2HD LYS 78 HD1 LYS 78 -7.641 9.376 -13.292 653 1HE LYS 78 HE2 LYS 78 -9.065 9.049 -11.546 654 2HE LYS 78 HE1 LYS 78 -7.770 9.035 -10.351 655 1HZ LYS 78 HZ1 LYS 78 -9.459 11.060 -10.657 656 2HZ LYS 78 HZ2 LYS 78 -8.227 11.568 -11.698 657 3HZ LYS 78 HZ3 LYS 78 -7.883 11.252 -10.072 658 H GLY 79 HN GLY 79 -8.455 3.650 -11.491 659 1HA GLY 79 HA2 GLY 79 -11.162 4.431 -12.057 660 2HA GLY 79 HA1 GLY 79 -10.480 3.383 -13.293 661 H GLN 80 HN GLN 80 -9.796 3.352 -9.873 662 HA GLN 80 HA GLN 80 -10.225 0.543 -9.839 663 1HB GLN 80 HB2 GLN 80 -8.954 2.488 -8.138 664 2HB GLN 80 HB1 GLN 80 -9.947 1.391 -7.192 665 1HG GLN 80 HG2 GLN 80 -7.534 0.852 -8.822 666 2HG GLN 80 HG1 GLN 80 -7.948 0.304 -7.201 667 1HE2 GLN 80 HE21 GLN 80 -8.092 -0.362 -10.560 668 2HE2 GLN 80 HE22 GLN 80 -8.828 -1.921 -10.450 669 H ARG 81 HN ARG 81 -11.686 -0.584 -8.971 670 HA ARG 81 HA ARG 81 -14.325 0.418 -8.720 671 1HB ARG 81 HB2 ARG 81 -13.013 -2.187 -8.641 672 2HB ARG 81 HB1 ARG 81 -14.360 -2.084 -7.517 673 1HG ARG 81 HG2 ARG 81 -15.673 -1.146 -9.529 674 2HG ARG 81 HG1 ARG 81 -14.369 -1.839 -10.494 675 1HD ARG 81 HD2 ARG 81 -15.203 -3.767 -8.568 676 2HD ARG 81 HD1 ARG 81 -16.631 -3.142 -9.391 677 HE ARG 81 HE ARG 81 -14.548 -4.779 -10.520 678 1HH1 ARG 81 HH11 ARG 81 -17.124 -2.525 -11.204 679 2HH1 ARG 81 HH12 ARG 81 -17.334 -3.066 -12.834 680 1HH2 ARG 81 HH21 ARG 81 -14.822 -5.491 -12.666 681 2HH2 ARG 81 HH22 ARG 81 -16.024 -4.746 -13.667 682 H THR 82 HN THR 82 -13.642 2.095 -7.084 683 HA THR 82 HA THR 82 -13.398 1.099 -4.360 684 HB THR 82 HB THR 82 -13.613 3.875 -4.252 685 HG1 THR 82 HG1 THR 82 -12.044 3.132 -6.493 686 1HG2 THR 82 HG21 THR 82 -10.884 3.061 -4.647 687 2HG2 THR 82 HG22 THR 82 -11.737 1.945 -3.581 688 3HG2 THR 82 HG23 THR 82 -11.685 3.665 -3.197 689 H ASP 83 HN ASP 83 -14.772 2.137 -2.654 690 HA ASP 83 HA ASP 83 -17.560 1.989 -3.472 691 1HB ASP 83 HB2 ASP 83 -16.121 1.258 -1.151 692 2HB ASP 83 HB1 ASP 83 -17.226 2.540 -0.665 693 H LYS 84 HN LYS 84 -15.346 4.260 -1.909 694 HA LYS 84 HA LYS 84 -16.629 6.534 -2.990 695 1HB LYS 84 HB2 LYS 84 -17.439 5.655 -0.270 696 2HB LYS 84 HB1 LYS 84 -17.128 7.371 -0.488 697 1HG LYS 84 HG2 LYS 84 -18.710 6.712 -2.655 698 2HG LYS 84 HG1 LYS 84 -19.389 5.766 -1.330 699 1HD LYS 84 HD2 LYS 84 -18.869 8.307 -0.263 700 2HD LYS 84 HD1 LYS 84 -19.586 8.593 -1.849 701 1HE LYS 84 HE2 LYS 84 -20.737 6.918 0.378 702 2HE LYS 84 HE1 LYS 84 -21.324 8.486 -0.173 703 1HZ LYS 84 HZ1 LYS 84 -21.350 5.938 -1.695 704 2HZ LYS 84 HZ2 LYS 84 -21.759 7.440 -2.358 705 3HZ LYS 84 HZ3 LYS 84 -22.690 6.788 -1.105 706 H TYR 85 HN TYR 85 -14.943 5.611 0.001 707 HA TYR 85 HA TYR 85 -12.500 6.836 -0.814 708 1HB TYR 85 HB2 TYR 85 -13.846 8.146 1.552 709 2HB TYR 85 HB1 TYR 85 -12.307 8.591 0.804 710 HD1 TYR 85 HD1 TYR 85 -15.944 8.856 0.611 711 HD2 TYR 85 HD2 TYR 85 -12.278 9.774 -1.343 712 HE1 TYR 85 HE1 TYR 85 -17.119 10.471 -0.823 713 HE2 TYR 85 HE2 TYR 85 -13.442 11.392 -2.781 714 HH TYR 85 HH TYR 85 -16.328 12.664 -2.159 715 H GLY 86 HN GLY 86 -14.340 4.803 1.162 716 1HA GLY 86 HA2 GLY 86 -13.047 4.371 3.490 717 2HA GLY 86 HA1 GLY 86 -13.585 3.042 2.468 718 H ARG 87 HN ARG 87 -11.860 3.678 0.288 719 HA ARG 87 HA ARG 87 -9.260 4.067 0.625 720 1HB ARG 87 HB2 ARG 87 -8.277 1.751 0.928 721 2HB ARG 87 HB1 ARG 87 -8.942 2.510 2.363 722 1HG ARG 87 HG2 ARG 87 -9.675 0.309 2.449 723 2HG ARG 87 HG1 ARG 87 -11.067 1.221 1.862 724 1HD ARG 87 HD2 ARG 87 -9.661 0.567 -0.426 725 2HD ARG 87 HD1 ARG 87 -9.542 -0.857 0.587 726 HE ARG 87 HE ARG 87 -12.166 0.396 0.084 727 1HH1 ARG 87 HH11 ARG 87 -10.043 -2.367 -0.243 728 2HH1 ARG 87 HH12 ARG 87 -11.306 -3.430 -0.755 729 1HH2 ARG 87 HH21 ARG 87 -13.819 -1.011 -0.586 730 2HH2 ARG 87 HH22 ARG 87 -13.448 -2.662 -0.952 731 H TRP 88 HN TRP 88 -7.875 3.123 -0.972 732 HA TRP 88 HA TRP 88 -9.288 2.129 -3.360 733 1HB TRP 88 HB2 TRP 88 -7.340 4.367 -2.954 734 2HB TRP 88 HB1 TRP 88 -7.330 3.504 -4.482 735 HD1 TRP 88 HD1 TRP 88 -9.916 5.402 -2.283 736 HE1 TRP 88 HE1 TRP 88 -11.520 6.638 -3.872 737 HE3 TRP 88 HE3 TRP 88 -8.042 3.751 -6.724 738 HZ2 TRP 88 HZ2 TRP 88 -11.931 6.870 -6.674 739 HZ3 TRP 88 HZ3 TRP 88 -9.076 4.513 -8.811 740 HH2 TRP 88 HH2 TRP 88 -10.987 6.045 -8.792 741 H LEU 89 HN LEU 89 -7.602 1.277 -5.039 742 HA LEU 89 HA LEU 89 -5.900 -0.639 -3.675 743 1HB LEU 89 HB2 LEU 89 -5.682 -1.700 -5.697 744 2HB LEU 89 HB1 LEU 89 -7.190 -0.856 -5.964 745 HG LEU 89 HG LEU 89 -6.013 -0.540 -7.954 746 1HD1 LEU 89 HD11 LEU 89 -4.995 1.942 -6.721 747 2HD1 LEU 89 HD12 LEU 89 -6.718 1.635 -6.598 748 3HD1 LEU 89 HD13 LEU 89 -5.947 1.713 -8.178 749 1HD2 LEU 89 HD21 LEU 89 -3.814 -1.272 -6.663 750 2HD2 LEU 89 HD22 LEU 89 -3.508 0.464 -6.731 751 3HD2 LEU 89 HD23 LEU 89 -3.762 -0.446 -8.221 752 H ALA 90 HN ALA 90 -3.487 -0.781 -4.228 753 HA ALA 90 HA ALA 90 -2.125 1.396 -5.361 754 1HB ALA 90 HB1 ALA 90 -2.754 1.656 -2.469 755 2HB ALA 90 HB2 ALA 90 -2.706 2.886 -3.731 756 3HB ALA 90 HB3 ALA 90 -1.204 2.248 -3.063 757 H TYR 91 HN TYR 91 0.183 1.616 -4.354 758 HA TYR 91 HA TYR 91 1.306 -0.835 -3.314 759 1HB TYR 91 HB2 TYR 91 1.782 0.093 -6.142 760 2HB TYR 91 HB1 TYR 91 2.988 -0.855 -5.279 761 HD1 TYR 91 HD1 TYR 91 2.726 -3.200 -4.983 762 HD2 TYR 91 HD2 TYR 91 -0.455 -0.901 -6.628 763 HE1 TYR 91 HE1 TYR 91 1.575 -5.272 -5.640 764 HE2 TYR 91 HE2 TYR 91 -1.614 -2.967 -7.287 765 HH TYR 91 HH TYR 91 -1.591 -5.446 -6.439 766 H ILE 92 HN ILE 92 1.095 1.765 -2.323 767 HA ILE 92 HA ILE 92 2.938 3.669 -2.654 768 HB ILE 92 HB ILE 92 2.363 2.559 0.083 769 1HG1 ILE 92 HG12 ILE 92 0.605 4.648 -0.368 770 2HG1 ILE 92 HG11 ILE 92 0.590 3.774 -1.896 771 1HG2 ILE 92 HG21 ILE 92 2.366 5.307 0.207 772 2HG2 ILE 92 HG22 ILE 92 3.665 4.955 -0.934 773 3HG2 ILE 92 HG23 ILE 92 3.694 4.247 0.682 774 1HD1 ILE 92 HD11 ILE 92 -0.070 2.704 0.832 775 2HD1 ILE 92 HD12 ILE 92 0.130 1.690 -0.597 776 3HD1 ILE 92 HD13 ILE 92 -1.151 2.901 -0.548 777 H TYR 93 HN TYR 93 5.022 4.157 -2.169 778 HA TYR 93 HA TYR 93 6.699 2.250 -0.796 779 1HB TYR 93 HB2 TYR 93 8.405 2.319 -2.680 780 2HB TYR 93 HB1 TYR 93 7.006 1.288 -2.921 781 HD1 TYR 93 HD1 TYR 93 8.192 4.748 -3.665 782 HD2 TYR 93 HD2 TYR 93 5.910 1.393 -4.943 783 HE1 TYR 93 HE1 TYR 93 7.821 5.837 -5.837 784 HE2 TYR 93 HE2 TYR 93 5.524 2.478 -7.118 785 HH TYR 93 HH TYR 93 7.262 5.240 -8.121 786 H ALA 94 HN ALA 94 8.508 3.135 0.096 787 HA ALA 94 HA ALA 94 8.763 6.052 -0.194 788 1HB ALA 94 HB1 ALA 94 9.122 6.239 2.030 789 2HB ALA 94 HB2 ALA 94 10.030 4.730 2.120 790 3HB ALA 94 HB3 ALA 94 8.267 4.697 2.083 791 H ASP 95 HN ASP 95 10.356 6.520 -1.556 792 HA ASP 95 HA ASP 95 12.526 6.790 -2.257 793 1HB ASP 95 HB2 ASP 95 12.974 5.743 0.226 794 2HB ASP 95 HB1 ASP 95 13.700 4.511 -0.802 795 H GLY 96 HN GLY 96 10.450 4.857 -3.226 796 1HA GLY 96 HA2 GLY 96 10.596 3.800 -5.361 797 2HA GLY 96 HA1 GLY 96 12.254 3.357 -4.993 798 H LYS 97 HN LYS 97 11.777 2.243 -2.402 799 HA LYS 97 HA LYS 97 10.689 -0.316 -3.250 800 1HB LYS 97 HB2 LYS 97 11.583 -1.112 -1.052 801 2HB LYS 97 HB1 LYS 97 12.795 -0.419 -2.122 802 1HG LYS 97 HG2 LYS 97 11.720 1.636 -0.450 803 2HG LYS 97 HG1 LYS 97 12.233 0.271 0.544 804 1HD LYS 97 HD2 LYS 97 14.414 0.319 -0.711 805 2HD LYS 97 HD1 LYS 97 13.881 1.837 -1.436 806 1HE LYS 97 HE2 LYS 97 15.232 2.428 0.411 807 2HE LYS 97 HE1 LYS 97 13.565 2.701 0.916 808 1HZ LYS 97 HZ1 LYS 97 13.682 0.415 1.930 809 2HZ LYS 97 HZ2 LYS 97 14.617 1.602 2.687 810 3HZ LYS 97 HZ3 LYS 97 15.353 0.466 1.673 811 H MET 98 HN MET 98 8.825 -1.206 -2.574 812 HA MET 98 HA MET 98 6.882 0.413 -1.277 813 1HB MET 98 HB2 MET 98 6.773 -2.570 -1.754 814 2HB MET 98 HB1 MET 98 5.411 -1.505 -1.442 815 1HG MET 98 HG2 MET 98 5.193 -1.548 -3.666 816 2HG MET 98 HG1 MET 98 6.452 -0.318 -3.620 817 1HE MET 98 HE1 MET 98 7.270 -1.188 -6.432 818 2HE MET 98 HE2 MET 98 8.914 -1.530 -5.892 819 3HE MET 98 HE3 MET 98 7.980 -0.249 -5.118 820 H VAL 99 HN VAL 99 6.123 0.398 0.795 821 HA VAL 99 HA VAL 99 7.781 -0.187 2.907 822 HB VAL 99 HB VAL 99 5.723 -0.187 4.347 823 1HG1 VAL 99 HG11 VAL 99 6.635 1.917 4.132 824 2HG1 VAL 99 HG12 VAL 99 5.010 2.178 3.497 825 3HG1 VAL 99 HG13 VAL 99 6.367 1.972 2.390 826 1HG2 VAL 99 HG21 VAL 99 3.677 0.666 2.891 827 2HG2 VAL 99 HG22 VAL 99 3.954 -1.049 3.197 828 3HG2 VAL 99 HG23 VAL 99 4.457 -0.333 1.665 829 H ASN 100 HN ASN 100 5.647 -2.315 1.172 830 HA ASN 100 HA ASN 100 5.909 -4.448 3.125 831 1HB ASN 100 HB2 ASN 100 4.348 -4.037 0.613 832 2HB ASN 100 HB1 ASN 100 4.688 -5.690 1.119 833 1HD2 ASN 100 HD21 ASN 100 2.164 -5.213 1.042 834 2HD2 ASN 100 HD22 ASN 100 1.477 -4.908 2.597 835 H GLU 101 HN GLU 101 7.281 -3.429 0.091 836 HA GLU 101 HA GLU 101 8.441 -5.816 -0.775 837 1HB GLU 101 HB2 GLU 101 8.590 -3.047 -1.470 838 2HB GLU 101 HB1 GLU 101 10.229 -3.674 -1.360 839 1HG GLU 101 HG2 GLU 101 8.003 -4.787 -3.052 840 2HG GLU 101 HG1 GLU 101 9.394 -3.863 -3.617 841 H ALA 102 HN ALA 102 9.328 -3.666 1.802 842 HA ALA 102 HA ALA 102 12.026 -4.345 2.108 843 1HB ALA 102 HB1 ALA 102 10.054 -3.556 4.248 844 2HB ALA 102 HB2 ALA 102 10.987 -2.446 3.243 845 3HB ALA 102 HB3 ALA 102 11.813 -3.506 4.385 846 H LEU 103 HN LEU 103 9.366 -5.509 4.190 847 HA LEU 103 HA LEU 103 10.453 -8.183 4.050 848 1HB LEU 103 HB2 LEU 103 10.358 -8.398 6.575 849 2HB LEU 103 HB1 LEU 103 11.734 -7.577 5.889 850 HG LEU 103 HG LEU 103 9.419 -6.401 7.425 851 1HD1 LEU 103 HD11 LEU 103 12.407 -6.472 7.791 852 2HD1 LEU 103 HD12 LEU 103 11.176 -7.238 8.793 853 3HD1 LEU 103 HD13 LEU 103 11.322 -5.480 8.765 854 1HD2 LEU 103 HD21 LEU 103 9.602 -4.732 5.840 855 2HD2 LEU 103 HD22 LEU 103 11.322 -5.028 5.569 856 3HD2 LEU 103 HD23 LEU 103 10.787 -4.214 7.037 857 H VAL 104 HN VAL 104 8.603 -8.938 3.155 858 HA VAL 104 HA VAL 104 6.153 -8.628 4.747 859 HB VAL 104 HB VAL 104 5.913 -7.775 2.483 860 1HG1 VAL 104 HG11 VAL 104 7.632 -9.453 1.550 861 2HG1 VAL 104 HG12 VAL 104 6.269 -8.985 0.534 862 3HG1 VAL 104 HG13 VAL 104 6.250 -10.534 1.375 863 1HG2 VAL 104 HG21 VAL 104 4.353 -10.326 2.508 864 2HG2 VAL 104 HG22 VAL 104 3.838 -8.702 2.051 865 3HG2 VAL 104 HG23 VAL 104 4.084 -9.103 3.751 866 H ARG 105 HN ARG 105 7.660 -11.120 2.631 867 HA ARG 105 HA ARG 105 6.373 -13.144 4.322 868 1HB ARG 105 HB2 ARG 105 7.423 -13.317 1.502 869 2HB ARG 105 HB1 ARG 105 6.781 -14.683 2.404 870 1HG ARG 105 HG2 ARG 105 5.222 -12.177 1.823 871 2HG ARG 105 HG1 ARG 105 5.172 -13.630 0.821 872 1HD ARG 105 HD2 ARG 105 4.270 -13.294 3.670 873 2HD ARG 105 HD1 ARG 105 3.306 -13.759 2.269 874 HE ARG 105 HE ARG 105 4.852 -15.482 3.931 875 1HH1 ARG 105 HH11 ARG 105 3.728 -15.027 0.658 876 2HH1 ARG 105 HH12 ARG 105 3.795 -16.713 0.268 877 1HH2 ARG 105 HH21 ARG 105 4.944 -17.698 3.419 878 2HH2 ARG 105 HH22 ARG 105 4.485 -18.230 1.836 879 H GLN 106 HN GLN 106 9.505 -12.057 3.223 880 HA GLN 106 HA GLN 106 10.916 -14.422 3.899 881 1HB GLN 106 HB2 GLN 106 12.908 -13.241 3.438 882 2HB GLN 106 HB1 GLN 106 11.702 -12.641 2.309 883 1HG GLN 106 HG2 GLN 106 12.843 -11.281 4.722 884 2HG GLN 106 HG1 GLN 106 12.861 -10.749 3.040 885 1HE2 GLN 106 HE21 GLN 106 11.229 -10.674 6.001 886 2HE2 GLN 106 HE22 GLN 106 9.831 -9.803 5.487 887 H GLY 107 HN GLY 107 9.249 -12.918 6.099 888 1HA GLY 107 HA2 GLY 107 9.940 -13.799 8.373 889 2HA GLY 107 HA1 GLY 107 11.416 -12.894 8.099 890 H LEU 108 HN LEU 108 9.073 -11.015 6.783 891 HA LEU 108 HA LEU 108 8.207 -9.003 7.431 892 1HB LEU 108 HB2 LEU 108 7.201 -11.068 9.251 893 2HB LEU 108 HB1 LEU 108 7.062 -9.438 9.882 894 HG LEU 108 HG LEU 108 5.983 -10.304 7.205 895 1HD1 LEU 108 HD11 LEU 108 3.788 -10.280 8.261 896 2HD1 LEU 108 HD12 LEU 108 4.538 -9.947 9.822 897 3HD1 LEU 108 HD13 LEU 108 4.841 -11.482 9.008 898 1HD2 LEU 108 HD21 LEU 108 6.424 -7.952 7.258 899 2HD2 LEU 108 HD22 LEU 108 5.658 -7.793 8.836 900 3HD2 LEU 108 HD23 LEU 108 4.686 -8.192 7.418 901 H ALA 109 HN ALA 109 7.922 -7.499 9.502 902 HA ALA 109 HA ALA 109 10.626 -7.200 10.606 903 1HB ALA 109 HB1 ALA 109 8.577 -5.047 10.794 904 2HB ALA 109 HB2 ALA 109 9.324 -5.381 9.232 905 3HB ALA 109 HB3 ALA 109 10.327 -4.927 10.611 906 H LYS 110 HN LYS 110 11.013 -7.173 12.760 907 HA LYS 110 HA LYS 110 8.793 -7.034 14.639 908 1HB LYS 110 HB2 LYS 110 10.673 -9.399 14.518 909 2HB LYS 110 HB1 LYS 110 9.520 -9.093 15.810 910 1HG LYS 110 HG2 LYS 110 7.800 -9.055 13.822 911 2HG LYS 110 HG1 LYS 110 9.051 -10.009 13.022 912 1HD LYS 110 HD2 LYS 110 7.450 -11.470 14.117 913 2HD LYS 110 HD1 LYS 110 9.026 -11.593 14.902 914 1HE LYS 110 HE2 LYS 110 8.286 -10.671 16.831 915 2HE LYS 110 HE1 LYS 110 7.177 -9.575 16.007 916 1HZ LYS 110 HZ1 LYS 110 5.502 -11.058 16.100 917 2HZ LYS 110 HZ2 LYS 110 6.373 -11.673 17.412 918 3HZ LYS 110 HZ3 LYS 110 6.508 -12.402 15.892
Contact the webmaster for help, if required. Thursday, May 9, 2024 2:05:27 AM GMT (wattos1)