![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
613919 |
5iiv ![]() ![]() |
30029 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 25.630 5.252 -7.671 2 H2 GLY 1 H2 GLY 1 25.664 6.898 -7.295 3 H3 GLY 1 H3 GLY 1 24.429 6.279 -8.268 4 HA2 GLY 1 HA2 GLY 1 24.872 5.611 -5.417 5 HA3 GLY 1 HA3 GLY 1 23.633 6.697 -6.029 6 H SER 2 H SER 2 23.156 4.373 -4.481 7 HA SER 2 HA SER 2 21.389 2.982 -6.332 8 HB2 SER 2 HB3 SER 2 23.540 1.664 -6.178 9 HB3 SER 2 HB2 SER 2 23.183 1.414 -4.470 10 HG SER 2 HG SER 2 22.169 0.171 -6.659 11 H MET 3 H MET 3 22.490 2.986 -2.909 12 HA MET 3 HA MET 3 20.079 2.048 -1.844 13 HB2 MET 3 HB3 MET 3 22.179 3.788 -0.549 14 HB3 MET 3 HB2 MET 3 20.870 2.993 0.314 15 HG2 MET 3 HG3 MET 3 21.755 0.822 -0.604 16 HG3 MET 3 HG2 MET 3 23.170 1.725 -1.133 17 HE1 MET 3 HE1 MET 3 21.068 0.451 1.894 18 HE2 MET 3 HE2 MET 3 21.023 2.190 2.183 19 HE3 MET 3 HE3 MET 3 21.924 1.137 3.274 20 H LYS 4 H LYS 4 21.018 5.259 -2.817 21 HA LYS 4 HA LYS 4 19.011 6.711 -1.470 22 HB2 LYS 4 HB3 LYS 4 20.477 7.245 -4.053 23 HB3 LYS 4 HB2 LYS 4 19.308 8.370 -3.379 24 HG2 LYS 4 HG3 LYS 4 20.661 8.595 -1.368 25 HG3 LYS 4 HG2 LYS 4 21.827 7.442 -2.013 26 HD2 LYS 4 HD3 LYS 4 22.214 8.963 -3.926 27 HD3 LYS 4 HD2 LYS 4 21.126 10.133 -3.177 28 HE2 LYS 4 HE3 LYS 4 22.602 10.206 -1.207 29 HE3 LYS 4 HE2 LYS 4 23.700 9.084 -2.007 30 HZ1 LYS 4 HZ1 LYS 4 23.994 10.735 -3.772 31 HZ2 LYS 4 HZ2 LYS 4 24.477 11.329 -2.269 32 HZ3 LYS 4 HZ3 LYS 4 23.001 11.816 -2.934 33 H GLN 5 H GLN 5 19.009 4.864 -4.440 34 HA GLN 5 HA GLN 5 16.486 5.761 -5.395 35 HB2 GLN 5 HB3 GLN 5 17.917 3.164 -5.987 36 HB3 GLN 5 HB2 GLN 5 16.611 3.869 -6.930 37 HG2 GLN 5 HG3 GLN 5 18.029 5.769 -7.491 38 HG3 GLN 5 HG2 GLN 5 19.337 5.080 -6.531 39 HE21 GLN 5 HE21 GLN 5 17.493 4.840 -9.456 40 HE22 GLN 5 HE22 GLN 5 18.534 3.719 -10.261 41 H LEU 6 H LEU 6 17.554 3.077 -3.382 42 HA LEU 6 HA LEU 6 15.053 1.792 -3.133 43 HB2 LEU 6 HB3 LEU 6 17.540 1.804 -1.451 44 HB3 LEU 6 HB2 LEU 6 16.094 1.002 -0.880 45 HG LEU 6 HG LEU 6 17.586 -0.611 -1.874 46 HD11 LEU 6 HD11 LEU 6 15.179 -0.955 -2.138 47 HD12 LEU 6 HD12 LEU 6 16.096 -1.636 -3.481 48 HD13 LEU 6 HD13 LEU 6 15.232 -0.114 -3.687 49 HD21 LEU 6 HD21 LEU 6 18.828 0.846 -3.372 50 HD22 LEU 6 HD22 LEU 6 17.403 1.032 -4.395 51 HD23 LEU 6 HD23 LEU 6 18.181 -0.544 -4.244 52 H GLU 7 H GLU 7 16.628 4.319 -1.228 53 HA GLU 7 HA GLU 7 14.693 4.508 0.801 54 HB2 GLU 7 HB3 GLU 7 16.543 6.630 -0.297 55 HB3 GLU 7 HB2 GLU 7 15.631 6.771 1.199 56 HG2 GLU 7 HG3 GLU 7 16.834 4.860 2.121 57 HG3 GLU 7 HG2 GLU 7 17.739 4.706 0.616 58 H ASP 8 H ASP 8 14.923 6.051 -2.364 59 HA ASP 8 HA ASP 8 12.571 7.656 -1.943 60 HB2 ASP 8 HB3 ASP 8 14.245 7.054 -4.376 61 HB3 ASP 8 HB2 ASP 8 12.751 7.978 -4.484 62 H LYS 9 H LYS 9 13.228 4.451 -2.986 63 HA LYS 9 HA LYS 9 10.804 4.097 -4.482 64 HB2 LYS 9 HB3 LYS 9 12.919 2.800 -4.875 65 HB3 LYS 9 HB2 LYS 9 12.633 1.973 -3.352 66 HG2 LYS 9 HG3 LYS 9 11.894 0.571 -5.135 67 HG3 LYS 9 HG2 LYS 9 10.477 1.156 -4.262 68 HD2 LYS 9 HD3 LYS 9 10.074 2.825 -5.974 69 HD3 LYS 9 HD2 LYS 9 11.540 2.336 -6.826 70 HE2 LYS 9 HE3 LYS 9 10.577 0.098 -7.158 71 HE3 LYS 9 HE2 LYS 9 9.104 0.622 -6.345 72 HZ1 LYS 9 HZ1 LYS 9 8.856 0.720 -8.734 73 HZ2 LYS 9 HZ2 LYS 9 10.191 1.744 -8.870 74 HZ3 LYS 9 HZ3 LYS 9 8.793 2.280 -8.086 75 H VAL 10 H VAL 10 11.970 3.075 -1.276 76 HA VAL 10 HA VAL 10 9.619 1.719 -0.529 77 HB VAL 10 HB VAL 10 11.692 1.359 0.689 78 HG11 VAL 10 HG11 VAL 10 11.375 4.176 1.711 79 HG12 VAL 10 HG12 VAL 10 12.620 3.606 0.601 80 HG13 VAL 10 HG13 VAL 10 12.578 3.007 2.259 81 HG21 VAL 10 HG21 VAL 10 9.502 2.511 2.410 82 HG22 VAL 10 HG22 VAL 10 10.820 1.500 2.996 83 HG23 VAL 10 HG23 VAL 10 9.646 0.842 1.855 84 H GLU 11 H GLU 11 10.594 5.101 -0.143 85 HA GLU 11 HA GLU 11 8.372 5.908 1.403 86 HB2 GLU 11 HB3 GLU 11 10.453 7.238 1.140 87 HB3 GLU 11 HB2 GLU 11 10.013 7.562 -0.530 88 HG2 GLU 11 HG3 GLU 11 8.066 8.793 0.171 89 HG3 GLU 11 HG2 GLU 11 8.371 8.379 1.857 90 H GLU 12 H GLU 12 8.906 5.605 -2.062 91 HA GLU 12 HA GLU 12 6.526 6.798 -2.944 92 HB2 GLU 12 HB3 GLU 12 8.409 6.190 -4.428 93 HB3 GLU 12 HB2 GLU 12 8.013 4.491 -4.211 94 HG2 GLU 12 HG3 GLU 12 7.155 5.285 -6.319 95 HG3 GLU 12 HG2 GLU 12 5.824 4.879 -5.240 96 H LEU 13 H LEU 13 7.183 3.298 -2.410 97 HA LEU 13 HA LEU 13 4.473 2.573 -2.719 98 HB2 LEU 13 HB3 LEU 13 6.773 1.120 -1.444 99 HB3 LEU 13 HB2 LEU 13 5.148 0.466 -1.438 100 HG LEU 13 HG LEU 13 5.213 0.839 -3.983 101 HD11 LEU 13 HD11 LEU 13 7.434 0.649 -4.980 102 HD12 LEU 13 HD12 LEU 13 8.165 0.793 -3.382 103 HD13 LEU 13 HD13 LEU 13 7.260 2.146 -4.063 104 HD21 LEU 13 HD21 LEU 13 6.204 -1.375 -4.308 105 HD22 LEU 13 HD22 LEU 13 5.127 -1.344 -2.912 106 HD23 LEU 13 HD23 LEU 13 6.874 -1.314 -2.678 107 H LEU 14 H LEU 14 6.269 3.616 0.110 108 HA LEU 14 HA LEU 14 4.319 3.104 2.035 109 HB2 LEU 14 HB3 LEU 14 6.576 3.856 2.581 110 HB3 LEU 14 HB2 LEU 14 6.286 5.396 1.814 111 HG LEU 14 HG LEU 14 6.275 5.333 4.341 112 HD11 LEU 14 HD11 LEU 14 3.856 6.460 2.963 113 HD12 LEU 14 HD12 LEU 14 5.437 7.230 3.093 114 HD13 LEU 14 HD13 LEU 14 4.471 6.949 4.542 115 HD21 LEU 14 HD21 LEU 14 4.959 3.285 4.613 116 HD22 LEU 14 HD22 LEU 14 3.558 4.105 3.922 117 HD23 LEU 14 HD23 LEU 14 4.232 4.653 5.454 118 H SER 15 H SER 15 4.732 5.799 -0.200 119 HA SER 15 HA SER 15 2.421 7.216 0.600 120 HB2 SER 15 HB3 SER 15 3.813 7.255 -2.088 121 HB3 SER 15 HB2 SER 15 2.717 8.486 -1.459 122 HG SER 15 HG SER 15 5.267 7.761 -0.427 123 H LYS 16 H LYS 16 3.007 4.677 -1.826 124 HA LYS 16 HA LYS 16 0.538 4.797 -3.123 125 HB2 LYS 16 HB3 LYS 16 2.367 2.456 -2.615 126 HB3 LYS 16 HB2 LYS 16 0.928 2.350 -3.617 127 HG2 LYS 16 HG3 LYS 16 1.857 4.105 -5.082 128 HG3 LYS 16 HG2 LYS 16 3.325 4.104 -4.103 129 HD2 LYS 16 HD3 LYS 16 3.678 2.742 -6.061 130 HD3 LYS 16 HD2 LYS 16 3.628 1.707 -4.636 131 HE2 LYS 16 HE3 LYS 16 2.379 0.703 -6.464 132 HE3 LYS 16 HE2 LYS 16 1.300 1.130 -5.139 133 HZ1 LYS 16 HZ1 LYS 16 0.624 3.095 -6.341 134 HZ2 LYS 16 HZ2 LYS 16 0.392 1.730 -7.310 135 HZ3 LYS 16 HZ3 LYS 16 1.708 2.750 -7.593 136 H ASN 17 H ASN 17 1.473 2.686 -0.385 137 HA ASN 17 HA ASN 17 -1.158 1.624 -0.152 138 HB2 ASN 17 HB3 ASN 17 -0.400 0.397 1.716 139 HB3 ASN 17 HB2 ASN 17 0.988 0.500 0.643 140 HD21 ASN 17 HD21 ASN 17 2.774 1.693 1.270 141 HD22 ASN 17 HD22 ASN 17 2.976 2.277 2.885 142 H TYR 18 H TYR 18 0.430 4.408 1.151 143 HA TYR 18 HA TYR 18 -1.325 4.931 3.301 144 HB2 TYR 18 HB3 TYR 18 0.863 6.036 3.069 145 HB3 TYR 18 HB2 TYR 18 0.295 6.864 1.625 146 HD1 TYR 18 HD1 TYR 18 -1.042 8.833 1.780 147 HD2 TYR 18 HD2 TYR 18 -0.082 6.624 5.286 148 HE1 TYR 18 HE1 TYR 18 -1.857 10.688 3.168 149 HE2 TYR 18 HE2 TYR 18 -0.901 8.475 6.681 150 HH TYR 18 HH TYR 18 -2.730 11.044 5.440 151 H HIS 19 H HIS 19 -1.242 6.159 -0.039 152 HA HIS 19 HA HIS 19 -3.692 7.599 0.202 153 HB2 HIS 19 HB3 HIS 19 -2.026 6.748 -2.160 154 HB3 HIS 19 HB2 HIS 19 -3.562 7.581 -2.365 155 HD1 HIS 19 HD1 HIS 19 -3.383 10.033 -2.510 156 HD2 HIS 19 HD2 HIS 19 -0.186 8.380 -0.437 157 HE1 HIS 19 HE1 HIS 19 -1.858 11.955 -1.983 158 HE2 HIS 19 HE2 HIS 19 -0.037 10.958 -0.555 159 H LEU 20 H LEU 20 -2.822 4.370 -0.806 160 HA LEU 20 HA LEU 20 -5.282 3.663 -1.983 161 HB2 LEU 20 HB3 LEU 20 -3.176 2.500 -2.403 162 HB3 LEU 20 HB2 LEU 20 -3.120 1.978 -0.732 163 HG LEU 20 HG LEU 20 -5.133 0.635 -1.089 164 HD11 LEU 20 HD11 LEU 20 -5.927 0.242 -3.387 165 HD12 LEU 20 HD12 LEU 20 -4.853 1.519 -3.957 166 HD13 LEU 20 HD13 LEU 20 -6.183 1.907 -2.865 167 HD21 LEU 20 HD21 LEU 20 -4.068 -1.092 -2.428 168 HD22 LEU 20 HD22 LEU 20 -2.894 -0.325 -1.362 169 HD23 LEU 20 HD23 LEU 20 -2.934 0.090 -3.075 170 H GLU 21 H GLU 21 -4.009 3.449 1.313 171 HA GLU 21 HA GLU 21 -6.192 2.000 2.399 172 HB2 GLU 21 HB3 GLU 21 -3.989 2.286 3.528 173 HB3 GLU 21 HB2 GLU 21 -4.387 3.975 3.809 174 HG2 GLU 21 HG3 GLU 21 -6.289 3.309 5.175 175 HG3 GLU 21 HG2 GLU 21 -5.911 1.613 4.883 176 H ASN 22 H ASN 22 -5.654 5.380 1.713 177 HA ASN 22 HA ASN 22 -7.885 6.413 3.111 178 HB2 ASN 22 HB3 ASN 22 -6.452 7.476 0.670 179 HB3 ASN 22 HB2 ASN 22 -7.677 8.364 1.566 180 HD21 ASN 22 HD21 ASN 22 -4.924 9.071 1.084 181 HD22 ASN 22 HD22 ASN 22 -4.184 9.241 2.636 182 H GLU 23 H GLU 23 -7.495 4.780 0.090 183 HA GLU 23 HA GLU 23 -9.976 5.574 -1.077 184 HB2 GLU 23 HB3 GLU 23 -8.316 3.116 -1.695 185 HB3 GLU 23 HB2 GLU 23 -9.571 3.836 -2.727 186 HG2 GLU 23 HG3 GLU 23 -6.899 5.030 -2.002 187 HG3 GLU 23 HG2 GLU 23 -7.394 4.403 -3.573 188 H VAL 24 H VAL 24 -8.868 2.792 0.807 189 HA VAL 24 HA VAL 24 -11.230 1.280 0.711 190 HB VAL 24 HB VAL 24 -9.359 1.457 3.086 191 HG11 VAL 24 HG11 VAL 24 -11.164 -0.776 2.146 192 HG12 VAL 24 HG12 VAL 24 -11.460 0.283 3.526 193 HG13 VAL 24 HG13 VAL 24 -10.090 -0.827 3.546 194 HG21 VAL 24 HG21 VAL 24 -9.154 -0.338 0.672 195 HG22 VAL 24 HG22 VAL 24 -8.124 -0.401 2.100 196 HG23 VAL 24 HG23 VAL 24 -8.083 1.010 1.046 197 H ALA 25 H ALA 25 -10.247 3.997 2.697 198 HA ALA 25 HA ALA 25 -12.417 3.849 4.536 199 HB1 ALA 25 HB1 ALA 25 -10.721 6.246 3.869 200 HB2 ALA 25 HB2 ALA 25 -10.284 4.994 5.030 201 HB3 ALA 25 HB3 ALA 25 -11.697 6.007 5.317 202 H ARG 26 H ARG 26 -12.047 5.213 1.363 203 HA ARG 26 HA ARG 26 -14.265 7.014 1.617 204 HB2 ARG 26 HB3 ARG 26 -13.697 7.786 -0.447 205 HB3 ARG 26 HB2 ARG 26 -12.193 6.975 -0.057 206 HG2 ARG 26 HG3 ARG 26 -12.845 5.051 -1.376 207 HG3 ARG 26 HG2 ARG 26 -14.399 5.814 -1.735 208 HD2 ARG 26 HD2 ARG 26 -13.180 7.684 -2.811 209 HD3 ARG 26 HD1 ARG 26 -11.670 6.820 -2.531 210 HE ARG 26 HE ARG 26 -13.407 5.114 -3.911 211 HH11 ARG 26 HH11 ARG 26 -11.656 8.102 -4.454 212 HH12 ARG 26 HH12 ARG 26 -11.516 7.853 -6.163 213 HH21 ARG 26 HH21 ARG 26 -13.213 4.785 -6.157 214 HH22 ARG 26 HH22 ARG 26 -12.406 5.971 -7.132 215 H LEU 27 H LEU 27 -13.746 3.800 0.241 216 HA LEU 27 HA LEU 27 -16.412 3.432 -0.641 217 HB2 LEU 27 HB3 LEU 27 -14.215 1.503 0.030 218 HB3 LEU 27 HB2 LEU 27 -15.831 0.926 -0.303 219 HG LEU 27 HG LEU 27 -15.720 2.050 -2.528 220 HD11 LEU 27 HD11 LEU 27 -13.486 2.627 -3.394 221 HD12 LEU 27 HD12 LEU 27 -12.843 2.462 -1.759 222 HD13 LEU 27 HD13 LEU 27 -14.039 3.706 -2.115 223 HD21 LEU 27 HD21 LEU 27 -15.330 -0.318 -2.323 224 HD22 LEU 27 HD22 LEU 27 -13.632 -0.029 -1.937 225 HD23 LEU 27 HD23 LEU 27 -14.253 0.372 -3.537 226 H LYS 28 H LYS 28 -14.941 3.182 2.506 227 HA LYS 28 HA LYS 28 -16.804 1.626 3.850 228 HB2 LYS 28 HB3 LYS 28 -15.246 4.025 4.812 229 HB3 LYS 28 HB2 LYS 28 -16.209 3.011 5.874 230 HG2 LYS 28 HG3 LYS 28 -13.888 2.062 4.210 231 HG3 LYS 28 HG2 LYS 28 -13.823 2.450 5.930 232 HD2 LYS 28 HD3 LYS 28 -15.476 0.692 6.379 233 HD3 LYS 28 HD2 LYS 28 -15.518 0.299 4.660 234 HE2 LYS 28 HE3 LYS 28 -14.085 -1.270 5.781 235 HE3 LYS 28 HE2 LYS 28 -13.099 -0.220 4.768 236 HZ1 LYS 28 HZ1 LYS 28 -12.553 1.084 6.747 237 HZ2 LYS 28 HZ2 LYS 28 -12.073 -0.525 6.912 238 HZ3 LYS 28 HZ3 LYS 28 -13.460 0.025 7.704 239 H LYS 29 H LYS 29 -16.969 5.056 2.994 240 HA LYS 29 HA LYS 29 -19.460 5.463 4.345 241 HB2 LYS 29 HB3 LYS 29 -17.864 7.103 2.393 242 HB3 LYS 29 HB2 LYS 29 -19.469 7.587 2.904 243 HG2 LYS 29 HG3 LYS 29 -17.828 8.758 4.205 244 HG3 LYS 29 HG2 LYS 29 -18.689 7.624 5.244 245 HD2 LYS 29 HD3 LYS 29 -16.819 6.039 5.024 246 HD3 LYS 29 HD2 LYS 29 -15.958 7.214 4.029 247 HE2 LYS 29 HE3 LYS 29 -15.138 7.310 6.300 248 HE3 LYS 29 HE2 LYS 29 -15.998 8.799 5.912 249 HZ1 LYS 29 HZ1 LYS 29 -17.129 6.519 7.439 250 HZ2 LYS 29 HZ2 LYS 29 -17.916 7.974 7.102 251 HZ3 LYS 29 HZ3 LYS 29 -16.563 7.961 8.113 252 H LEU 30 H LEU 30 -18.430 4.550 1.140 253 HA LEU 30 HA LEU 30 -20.951 4.896 -0.133 254 HB2 LEU 30 HB3 LEU 30 -18.709 3.017 -0.889 255 HB3 LEU 30 HB2 LEU 30 -20.023 3.533 -1.927 256 HG LEU 30 HG LEU 30 -17.820 5.294 -0.846 257 HD11 LEU 30 HD11 LEU 30 -17.078 3.771 -2.599 258 HD12 LEU 30 HD12 LEU 30 -17.112 5.436 -3.175 259 HD13 LEU 30 HD13 LEU 30 -18.392 4.316 -3.640 260 HD21 LEU 30 HD21 LEU 30 -18.770 7.026 -2.294 261 HD22 LEU 30 HD22 LEU 30 -19.905 6.533 -1.038 262 HD23 LEU 30 HD23 LEU 30 -20.112 5.955 -2.691 263 H VAL 31 H VAL 31 -19.634 2.510 1.959 264 HA VAL 31 HA VAL 31 -21.759 0.602 1.362 265 HB VAL 31 HB VAL 31 -19.516 0.420 3.396 266 HG11 VAL 31 HG11 VAL 31 -20.092 -1.952 3.531 267 HG12 VAL 31 HG12 VAL 31 -21.452 -1.686 2.441 268 HG13 VAL 31 HG13 VAL 31 -21.440 -0.934 4.036 269 HG21 VAL 31 HG21 VAL 31 -18.497 -1.161 1.837 270 HG22 VAL 31 HG22 VAL 31 -18.680 0.435 1.110 271 HG23 VAL 31 HG23 VAL 31 -19.795 -0.862 0.682 272 H GLY 32 H GLY 32 -20.908 3.055 3.676 273 HA2 GLY 32 HA3 GLY 32 -22.772 2.050 5.667 274 HA3 GLY 32 HA2 GLY 32 -21.692 3.418 5.852 275 H GLU 33 H GLU 33 -22.544 4.723 3.397 276 HA GLU 33 HA GLU 33 -24.033 6.276 2.692 277 HB2 GLU 33 HB3 GLU 33 -26.030 4.583 4.199 278 HB3 GLU 33 HB2 GLU 33 -26.476 6.043 3.334 279 HG2 GLU 33 HG3 GLU 33 -26.994 4.280 1.892 280 HG3 GLU 33 HG2 GLU 33 -25.490 4.955 1.272 281 H1 GLY 1 H1 GLY 1 25.641 -5.456 6.977 282 H2 GLY 1 H2 GLY 1 25.675 -7.101 6.591 283 H3 GLY 1 H3 GLY 1 24.442 -6.489 7.570 284 HA2 GLY 1 HA2 GLY 1 24.880 -5.812 4.718 285 HA3 GLY 1 HA3 GLY 1 23.640 -6.898 5.331 286 H SER 2 H SER 2 23.162 -4.564 3.792 287 HA SER 2 HA SER 2 21.402 -3.179 5.654 288 HB2 SER 2 HB3 SER 2 23.559 -1.867 5.492 289 HB3 SER 2 HB2 SER 2 23.187 -1.604 3.789 290 HG SER 2 HG SER 2 22.213 -0.353 5.980 291 H MET 3 H MET 3 22.486 -3.175 2.223 292 HA MET 3 HA MET 3 20.072 -2.229 1.177 293 HB2 MET 3 HB3 MET 3 22.161 -3.966 -0.135 294 HB3 MET 3 HB2 MET 3 20.850 -3.167 -0.989 295 HG2 MET 3 HG3 MET 3 21.742 -0.999 -0.069 296 HG3 MET 3 HG2 MET 3 23.158 -1.905 0.451 297 HE1 MET 3 HE1 MET 3 21.044 -0.627 -2.568 298 HE2 MET 3 HE2 MET 3 21.002 -2.366 -2.858 299 HE3 MET 3 HE3 MET 3 21.899 -1.311 -3.950 300 H LYS 4 H LYS 4 21.011 -5.451 2.129 301 HA LYS 4 HA LYS 4 18.996 -6.892 0.789 302 HB2 LYS 4 HB3 LYS 4 20.476 -7.434 3.362 303 HB3 LYS 4 HB2 LYS 4 19.300 -8.556 2.697 304 HG2 LYS 4 HG3 LYS 4 20.639 -8.787 0.677 305 HG3 LYS 4 HG2 LYS 4 21.811 -7.635 1.310 306 HD2 LYS 4 HD3 LYS 4 22.207 -9.156 3.225 307 HD3 LYS 4 HD2 LYS 4 21.118 -10.326 2.477 308 HE2 LYS 4 HE3 LYS 4 22.583 -10.389 0.500 309 HE3 LYS 4 HE2 LYS 4 23.681 -9.264 1.294 310 HZ1 LYS 4 HZ1 LYS 4 23.995 -10.919 3.056 311 HZ2 LYS 4 HZ2 LYS 4 24.471 -11.503 1.545 312 HZ3 LYS 4 HZ3 LYS 4 23.003 -12.001 2.216 313 H GLN 5 H GLN 5 19.009 -5.053 3.763 314 HA GLN 5 HA GLN 5 16.489 -5.954 4.725 315 HB2 GLN 5 HB3 GLN 5 17.924 -3.360 5.318 316 HB3 GLN 5 HB2 GLN 5 16.622 -4.066 6.265 317 HG2 GLN 5 HG3 GLN 5 18.044 -5.969 6.812 318 HG3 GLN 5 HG2 GLN 5 19.348 -5.271 5.853 319 HE21 GLN 5 HE21 GLN 5 17.514 -5.060 8.781 320 HE22 GLN 5 HE22 GLN 5 18.547 -3.934 9.588 321 H LEU 6 H LEU 6 17.556 -3.265 2.713 322 HA LEU 6 HA LEU 6 15.056 -1.972 2.483 323 HB2 LEU 6 HB3 LEU 6 17.538 -1.981 0.794 324 HB3 LEU 6 HB2 LEU 6 16.091 -1.177 0.227 325 HG LEU 6 HG LEU 6 17.586 0.431 1.222 326 HD11 LEU 6 HD11 LEU 6 15.181 0.783 1.496 327 HD12 LEU 6 HD12 LEU 6 16.105 1.456 2.838 328 HD13 LEU 6 HD13 LEU 6 15.238 -0.065 3.041 329 HD21 LEU 6 HD21 LEU 6 18.828 -1.038 2.703 330 HD22 LEU 6 HD22 LEU 6 17.409 -1.224 3.733 331 HD23 LEU 6 HD23 LEU 6 18.193 0.349 3.587 332 H GLU 7 H GLU 7 16.619 -4.499 0.568 333 HA GLU 7 HA GLU 7 14.677 -4.677 -1.457 334 HB2 GLU 7 HB3 GLU 7 16.522 -6.811 -0.373 335 HB3 GLU 7 HB2 GLU 7 15.608 -6.938 -1.869 336 HG2 GLU 7 HG3 GLU 7 16.822 -5.030 -2.781 337 HG3 GLU 7 HG2 GLU 7 17.731 -4.889 -1.278 338 H ASP 8 H ASP 8 14.912 -6.227 1.705 339 HA ASP 8 HA ASP 8 12.556 -7.830 1.292 340 HB2 ASP 8 HB3 ASP 8 14.244 -7.236 3.715 341 HB3 ASP 8 HB2 ASP 8 12.749 -8.158 3.829 342 H LYS 9 H LYS 9 13.219 -4.627 2.323 343 HA LYS 9 HA LYS 9 10.806 -4.273 3.840 344 HB2 LYS 9 HB3 LYS 9 12.927 -2.982 4.226 345 HB3 LYS 9 HB2 LYS 9 12.634 -2.150 2.706 346 HG2 LYS 9 HG3 LYS 9 11.909 -0.751 4.500 347 HG3 LYS 9 HG2 LYS 9 10.487 -1.328 3.630 348 HD2 LYS 9 HD3 LYS 9 10.084 -3.000 5.338 349 HD3 LYS 9 HD2 LYS 9 11.554 -2.520 6.187 350 HE2 LYS 9 HE3 LYS 9 10.594 -0.275 6.524 351 HE3 LYS 9 HE2 LYS 9 9.114 -0.805 5.725 352 HZ1 LYS 9 HZ1 LYS 9 8.889 -0.905 8.117 353 HZ2 LYS 9 HZ2 LYS 9 10.231 -1.923 8.237 354 HZ3 LYS 9 HZ3 LYS 9 8.829 -2.466 7.469 355 H VAL 10 H VAL 10 11.961 -3.237 0.634 356 HA VAL 10 HA VAL 10 9.609 -1.881 -0.099 357 HB VAL 10 HB VAL 10 11.676 -1.520 -1.321 358 HG11 VAL 10 HG11 VAL 10 11.353 -4.333 -2.356 359 HG12 VAL 10 HG12 VAL 10 12.603 -3.768 -1.249 360 HG13 VAL 10 HG13 VAL 10 12.552 -3.163 -2.904 361 HG21 VAL 10 HG21 VAL 10 9.472 -2.658 -3.032 362 HG22 VAL 10 HG22 VAL 10 10.792 -1.653 -3.625 363 HG23 VAL 10 HG23 VAL 10 9.629 -0.993 -2.474 364 H GLU 11 H GLU 11 10.579 -5.263 -0.502 365 HA GLU 11 HA GLU 11 8.348 -6.060 -2.039 366 HB2 GLU 11 HB3 GLU 11 10.426 -7.394 -1.785 367 HB3 GLU 11 HB2 GLU 11 9.991 -7.720 -0.116 368 HG2 GLU 11 HG3 GLU 11 8.040 -8.948 -0.814 369 HG3 GLU 11 HG2 GLU 11 8.343 -8.530 -2.499 370 H GLU 12 H GLU 12 8.894 -5.763 1.420 371 HA GLU 12 HA GLU 12 6.519 -6.962 2.308 372 HB2 GLU 12 HB3 GLU 12 8.410 -6.365 3.788 373 HB3 GLU 12 HB2 GLU 12 8.011 -4.665 3.584 374 HG2 GLU 12 HG3 GLU 12 7.163 -5.474 5.689 375 HG3 GLU 12 HG2 GLU 12 5.828 -5.058 4.618 376 H LEU 13 H LEU 13 7.176 -3.460 1.789 377 HA LEU 13 HA LEU 13 4.468 -2.737 2.111 378 HB2 LEU 13 HB3 LEU 13 6.764 -1.279 0.831 379 HB3 LEU 13 HB2 LEU 13 5.139 -0.624 0.837 380 HG LEU 13 HG LEU 13 5.218 -1.008 3.380 381 HD11 LEU 13 HD11 LEU 13 7.443 -0.825 4.368 382 HD12 LEU 13 HD12 LEU 13 8.167 -0.959 2.766 383 HD13 LEU 13 HD13 LEU 13 7.266 -2.316 3.443 384 HD21 LEU 13 HD21 LEU 13 6.214 1.204 3.710 385 HD22 LEU 13 HD22 LEU 13 5.127 1.179 2.322 386 HD23 LEU 13 HD23 LEU 13 6.873 1.148 2.075 387 H LEU 14 H LEU 14 6.252 -3.774 -0.729 388 HA LEU 14 HA LEU 14 4.296 -3.250 -2.647 389 HB2 LEU 14 HB3 LEU 14 6.550 -4.002 -3.204 390 HB3 LEU 14 HB2 LEU 14 6.263 -5.544 -2.440 391 HG LEU 14 HG LEU 14 6.244 -5.480 -4.965 392 HD11 LEU 14 HD11 LEU 14 3.827 -6.601 -3.578 393 HD12 LEU 14 HD12 LEU 14 5.404 -7.377 -3.719 394 HD13 LEU 14 HD13 LEU 14 4.430 -7.087 -5.162 395 HD21 LEU 14 HD21 LEU 14 4.932 -3.427 -5.227 396 HD22 LEU 14 HD22 LEU 14 3.530 -4.248 -4.538 397 HD23 LEU 14 HD23 LEU 14 4.203 -4.791 -6.073 398 H SER 15 H SER 15 4.713 -5.953 -0.423 399 HA SER 15 HA SER 15 2.395 -7.360 -1.221 400 HB2 SER 15 HB3 SER 15 3.811 -7.419 1.453 401 HB3 SER 15 HB2 SER 15 2.701 -8.641 0.831 402 HG SER 15 HG SER 15 5.265 -7.938 -0.177 403 H LYS 16 H LYS 16 3.000 -4.832 1.214 404 HA LYS 16 HA LYS 16 0.538 -4.955 2.524 405 HB2 LYS 16 HB3 LYS 16 2.368 -2.617 2.015 406 HB3 LYS 16 HB2 LYS 16 0.933 -2.510 3.022 407 HG2 LYS 16 HG3 LYS 16 1.864 -4.271 4.479 408 HG3 LYS 16 HG2 LYS 16 3.329 -4.270 3.495 409 HD2 LYS 16 HD3 LYS 16 3.693 -2.910 5.449 410 HD3 LYS 16 HD2 LYS 16 3.630 -1.870 4.029 411 HE2 LYS 16 HE3 LYS 16 2.391 -0.872 5.864 412 HE3 LYS 16 HE2 LYS 16 1.302 -1.305 4.550 413 HZ1 LYS 16 HZ1 LYS 16 0.641 -3.269 5.763 414 HZ2 LYS 16 HZ2 LYS 16 0.420 -1.906 6.737 415 HZ3 LYS 16 HZ3 LYS 16 1.742 -2.926 7.000 416 H ASN 17 H ASN 17 1.458 -2.842 -0.218 417 HA ASN 17 HA ASN 17 -1.172 -1.773 -0.432 418 HB2 ASN 17 HB3 ASN 17 -0.420 -0.542 -2.302 419 HB3 ASN 17 HB2 ASN 17 0.973 -0.650 -1.235 420 HD21 ASN 17 HD21 ASN 17 2.755 -1.838 -1.872 421 HD22 ASN 17 HD22 ASN 17 2.948 -2.423 -3.489 422 H TYR 18 H TYR 18 0.410 -4.554 -1.753 423 HA TYR 18 HA TYR 18 -1.356 -5.070 -3.891 424 HB2 TYR 18 HB3 TYR 18 0.832 -6.175 -3.671 425 HB3 TYR 18 HB2 TYR 18 0.268 -7.010 -2.229 426 HD1 TYR 18 HD1 TYR 18 -1.073 -8.972 -2.386 427 HD2 TYR 18 HD2 TYR 18 -0.121 -6.759 -5.891 428 HE1 TYR 18 HE1 TYR 18 -1.900 -10.821 -3.771 429 HE2 TYR 18 HE2 TYR 18 -0.950 -8.605 -7.288 430 HH TYR 18 HH TYR 18 -2.789 -11.169 -6.042 431 H HIS 19 H HIS 19 -1.259 -6.316 -0.558 432 HA HIS 19 HA HIS 19 -3.716 -7.743 -0.788 433 HB2 HIS 19 HB3 HIS 19 -2.036 -6.902 1.570 434 HB3 HIS 19 HB2 HIS 19 -3.575 -7.729 1.779 435 HD1 HIS 19 HD1 HIS 19 -3.408 -10.184 1.916 436 HD2 HIS 19 HD2 HIS 19 -0.205 -8.537 -0.156 437 HE1 HIS 19 HE1 HIS 19 -1.887 -12.113 1.376 438 HE2 HIS 19 HE2 HIS 19 -0.065 -11.114 -0.047 439 H LEU 20 H LEU 20 -2.832 -4.516 0.222 440 HA LEU 20 HA LEU 20 -5.287 -3.811 1.415 441 HB2 LEU 20 HB3 LEU 20 -3.179 -2.652 1.830 442 HB3 LEU 20 HB2 LEU 20 -3.128 -2.125 0.162 443 HG LEU 20 HG LEU 20 -5.137 -0.782 0.529 444 HD11 LEU 20 HD11 LEU 20 -5.924 -0.395 2.831 445 HD12 LEU 20 HD12 LEU 20 -4.856 -1.681 3.392 446 HD13 LEU 20 HD13 LEU 20 -6.189 -2.055 2.299 447 HD21 LEU 20 HD21 LEU 20 -4.065 0.936 1.872 448 HD22 LEU 20 HD22 LEU 20 -2.899 0.173 0.796 449 HD23 LEU 20 HD23 LEU 20 -2.931 -0.252 2.507 450 H GLU 21 H GLU 21 -4.027 -3.588 -1.886 451 HA GLU 21 HA GLU 21 -6.212 -2.133 -2.957 452 HB2 GLU 21 HB3 GLU 21 -4.014 -2.420 -4.097 453 HB3 GLU 21 HB2 GLU 21 -4.419 -4.105 -4.384 454 HG2 GLU 21 HG3 GLU 21 -6.321 -3.428 -5.741 455 HG3 GLU 21 HG2 GLU 21 -5.943 -1.734 -5.439 456 H ASN 22 H ASN 22 -5.680 -5.516 -2.281 457 HA ASN 22 HA ASN 22 -7.917 -6.539 -3.680 458 HB2 ASN 22 HB3 ASN 22 -6.475 -7.614 -1.249 459 HB3 ASN 22 HB2 ASN 22 -7.705 -8.499 -2.143 460 HD21 ASN 22 HD21 ASN 22 -4.962 -9.216 -1.683 461 HD22 ASN 22 HD22 ASN 22 -4.227 -9.376 -3.240 462 H GLU 23 H GLU 23 -7.512 -4.920 -0.653 463 HA GLU 23 HA GLU 23 -9.988 -5.711 0.523 464 HB2 GLU 23 HB3 GLU 23 -8.320 -3.256 1.136 465 HB3 GLU 23 HB2 GLU 23 -9.572 -3.973 2.172 466 HG2 GLU 23 HG3 GLU 23 -6.910 -5.172 1.432 467 HG3 GLU 23 HG2 GLU 23 -7.399 -4.555 3.008 468 H VAL 24 H VAL 24 -8.888 -2.929 -1.361 469 HA VAL 24 HA VAL 24 -11.246 -1.412 -1.253 470 HB VAL 24 HB VAL 24 -9.382 -1.582 -3.634 471 HG11 VAL 24 HG11 VAL 24 -11.179 0.649 -2.682 472 HG12 VAL 24 HG12 VAL 24 -11.482 -0.404 -4.064 473 HG13 VAL 24 HG13 VAL 24 -10.111 0.704 -4.085 474 HG21 VAL 24 HG21 VAL 24 -9.167 0.206 -1.215 475 HG22 VAL 24 HG22 VAL 24 -8.141 0.269 -2.646 476 HG23 VAL 24 HG23 VAL 24 -8.100 -1.145 -1.595 477 H ALA 25 H ALA 25 -10.273 -4.122 -3.248 478 HA ALA 25 HA ALA 25 -12.453 -3.970 -5.075 479 HB1 ALA 25 HB1 ALA 25 -10.754 -6.370 -4.432 480 HB2 ALA 25 HB2 ALA 25 -10.323 -5.112 -5.589 481 HB3 ALA 25 HB3 ALA 25 -11.739 -6.122 -5.872 482 H ARG 26 H ARG 26 -12.072 -5.333 -1.908 483 HA ARG 26 HA ARG 26 -14.292 -7.137 -2.157 484 HB2 ARG 26 HB3 ARG 26 -13.716 -7.916 -0.100 485 HB3 ARG 26 HB2 ARG 26 -12.212 -7.109 -0.494 486 HG2 ARG 26 HG3 ARG 26 -12.853 -5.186 0.833 487 HG3 ARG 26 HG2 ARG 26 -14.407 -5.947 1.198 488 HD2 ARG 26 HD2 ARG 26 -13.183 -7.822 2.259 489 HD3 ARG 26 HD1 ARG 26 -11.674 -6.958 1.977 490 HE ARG 26 HE ARG 26 -13.395 -5.256 3.369 491 HH11 ARG 26 HH11 ARG 26 -11.650 -8.248 3.891 492 HH12 ARG 26 HH12 ARG 26 -11.517 -8.017 5.604 493 HH21 ARG 26 HH21 ARG 26 -13.203 -4.948 5.616 494 HH22 ARG 26 HH22 ARG 26 -12.409 -6.146 6.584 495 H LEU 27 H LEU 27 -13.764 -3.929 -0.775 496 HA LEU 27 HA LEU 27 -16.424 -3.560 0.118 497 HB2 LEU 27 HB3 LEU 27 -14.226 -1.634 -0.555 498 HB3 LEU 27 HB2 LEU 27 -15.840 -1.055 -0.214 499 HG LEU 27 HG LEU 27 -15.721 -2.184 2.008 500 HD11 LEU 27 HD11 LEU 27 -13.484 -2.772 2.860 501 HD12 LEU 27 HD12 LEU 27 -12.850 -2.603 1.221 502 HD13 LEU 27 HD13 LEU 27 -14.048 -3.845 1.581 503 HD21 LEU 27 HD21 LEU 27 -15.325 0.183 1.809 504 HD22 LEU 27 HD22 LEU 27 -13.630 -0.110 1.414 505 HD23 LEU 27 HD23 LEU 27 -14.245 -0.513 3.016 506 H LYS 28 H LYS 28 -14.963 -3.293 -3.036 507 HA LYS 28 HA LYS 28 -16.833 -1.738 -4.369 508 HB2 LYS 28 HB3 LYS 28 -15.283 -4.137 -5.343 509 HB3 LYS 28 HB2 LYS 28 -16.249 -3.117 -6.400 510 HG2 LYS 28 HG3 LYS 28 -13.921 -2.176 -4.737 511 HG3 LYS 28 HG2 LYS 28 -13.857 -2.560 -6.457 512 HD2 LYS 28 HD3 LYS 28 -15.510 -0.800 -6.900 513 HD3 LYS 28 HD2 LYS 28 -15.551 -0.412 -5.180 514 HE2 LYS 28 HE3 LYS 28 -14.119 1.162 -6.298 515 HE3 LYS 28 HE2 LYS 28 -13.133 0.111 -5.285 516 HZ1 LYS 28 HZ1 LYS 28 -12.581 -1.184 -7.263 517 HZ2 LYS 28 HZ2 LYS 28 -12.106 0.430 -7.426 518 HZ3 LYS 28 HZ3 LYS 28 -13.490 -0.129 -8.220 519 H LYS 29 H LYS 29 -16.999 -5.172 -3.528 520 HA LYS 29 HA LYS 29 -19.503 -5.557 -4.860 521 HB2 LYS 29 HB3 LYS 29 -17.904 -7.223 -2.925 522 HB3 LYS 29 HB2 LYS 29 -19.510 -7.697 -3.439 523 HG2 LYS 29 HG3 LYS 29 -17.855 -8.874 -4.729 524 HG3 LYS 29 HG2 LYS 29 -18.723 -7.760 -5.780 525 HD2 LYS 29 HD3 LYS 29 -16.860 -6.154 -5.557 526 HD3 LYS 29 HD2 LYS 29 -15.992 -7.329 -4.568 527 HE2 LYS 29 HE3 LYS 29 -15.181 -7.419 -6.840 528 HE3 LYS 29 HE2 LYS 29 -16.037 -8.909 -6.453 529 HZ1 LYS 29 HZ1 LYS 29 -17.175 -6.627 -7.969 530 HZ2 LYS 29 HZ2 LYS 29 -17.963 -8.083 -7.632 531 HZ3 LYS 29 HZ3 LYS 29 -16.616 -8.070 -8.648 532 H LEU 30 H LEU 30 -18.447 -4.670 -1.658 533 HA LEU 30 HA LEU 30 -20.958 -5.022 -0.372 534 HB2 LEU 30 HB3 LEU 30 -18.716 -3.140 0.372 535 HB3 LEU 30 HB2 LEU 30 -20.024 -3.656 1.418 536 HG LEU 30 HG LEU 30 -17.831 -5.421 0.322 537 HD11 LEU 30 HD11 LEU 30 -17.078 -3.902 2.077 538 HD12 LEU 30 HD12 LEU 30 -17.114 -5.569 2.648 539 HD13 LEU 30 HD13 LEU 30 -18.390 -4.448 3.118 540 HD21 LEU 30 HD21 LEU 30 -18.782 -7.151 1.772 541 HD22 LEU 30 HD22 LEU 30 -19.919 -6.653 0.521 542 HD23 LEU 30 HD23 LEU 30 -20.119 -6.075 2.175 543 H VAL 31 H VAL 31 -19.657 -2.622 -2.461 544 HA VAL 31 HA VAL 31 -21.781 -0.717 -1.850 545 HB VAL 31 HB VAL 31 -19.545 -0.533 -3.893 546 HG11 VAL 31 HG11 VAL 31 -20.118 1.844 -4.018 547 HG12 VAL 31 HG12 VAL 31 -21.476 1.574 -2.926 548 HG13 VAL 31 HG13 VAL 31 -21.468 0.827 -4.523 549 HG21 VAL 31 HG21 VAL 31 -18.516 1.045 -2.335 550 HG22 VAL 31 HG22 VAL 31 -18.696 -0.554 -1.614 551 HG23 VAL 31 HG23 VAL 31 -19.809 0.741 -1.174 552 H GLY 32 H GLY 32 -20.943 -3.160 -4.181 553 HA2 GLY 32 HA3 GLY 32 -22.816 -2.141 -6.163 554 HA3 GLY 32 HA2 GLY 32 -21.737 -3.512 -6.356 555 H GLU 33 H GLU 33 -22.574 -4.825 -3.900 556 HA GLU 33 HA GLU 33 -24.058 -6.386 -3.196 557 HB2 GLU 33 HB3 GLU 33 -26.066 -4.686 -4.682 558 HB3 GLU 33 HB2 GLU 33 -26.504 -6.151 -3.820 559 HG2 GLU 33 HG3 GLU 33 -27.011 -4.398 -2.369 560 HG3 GLU 33 HG2 GLU 33 -25.503 -5.073 -1.762 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 24.744 -0.807 -4.555 2 H2 GLY 1 H2 GLY 1 26.186 -0.223 -5.214 3 H3 GLY 1 H3 GLY 1 24.851 -0.502 -6.215 4 HA2 GLY 1 HA2 GLY 1 25.019 1.542 -4.075 5 HA3 GLY 1 HA3 GLY 1 25.110 1.854 -5.804 6 H SER 2 H SER 2 23.313 3.133 -5.922 7 HA SER 2 HA SER 2 21.115 3.536 -6.441 8 HB2 SER 2 HB3 SER 2 20.692 0.577 -5.930 9 HB3 SER 2 HB2 SER 2 19.533 1.672 -6.681 10 HG SER 2 HG SER 2 20.754 1.778 -8.468 11 H MET 3 H MET 3 22.313 3.572 -3.748 12 HA MET 3 HA MET 3 20.451 2.756 -1.801 13 HB2 MET 3 HB3 MET 3 22.614 4.850 -1.800 14 HB3 MET 3 HB2 MET 3 21.645 4.496 -0.371 15 HG2 MET 3 HG3 MET 3 23.477 2.614 -1.838 16 HG3 MET 3 HG2 MET 3 23.726 3.315 -0.241 17 HE1 MET 3 HE1 MET 3 20.870 1.561 1.828 18 HE2 MET 3 HE2 MET 3 20.685 3.066 0.927 19 HE3 MET 3 HE3 MET 3 22.155 2.767 1.852 20 H LYS 4 H LYS 4 20.762 5.661 -3.716 21 HA LYS 4 HA LYS 4 18.798 7.188 -2.319 22 HB2 LYS 4 HB3 LYS 4 19.881 7.412 -5.134 23 HB3 LYS 4 HB2 LYS 4 18.762 8.565 -4.424 24 HG2 LYS 4 HG3 LYS 4 20.386 9.210 -2.775 25 HG3 LYS 4 HG2 LYS 4 21.498 7.954 -3.321 26 HD2 LYS 4 HD3 LYS 4 21.577 9.045 -5.541 27 HD3 LYS 4 HD2 LYS 4 20.554 10.336 -4.910 28 HE2 LYS 4 HE3 LYS 4 22.248 10.930 -3.289 29 HE3 LYS 4 HE2 LYS 4 23.254 9.578 -3.804 30 HZ1 LYS 4 HZ1 LYS 4 23.475 10.600 -5.972 31 HZ2 LYS 4 HZ2 LYS 4 23.993 11.669 -4.770 32 HZ3 LYS 4 HZ3 LYS 4 22.486 11.889 -5.504 33 H GLN 5 H GLN 5 18.766 4.899 -4.957 34 HA GLN 5 HA GLN 5 16.074 5.430 -5.754 35 HB2 GLN 5 HB3 GLN 5 17.856 3.059 -6.340 36 HB3 GLN 5 HB2 GLN 5 16.329 3.405 -7.139 37 HG2 GLN 5 HG3 GLN 5 17.264 5.504 -7.992 38 HG3 GLN 5 HG2 GLN 5 18.799 5.125 -7.217 39 HE21 GLN 5 HE21 GLN 5 18.157 5.558 -10.029 40 HE22 GLN 5 HE22 GLN 5 18.654 4.126 -10.861 41 H LEU 6 H LEU 6 17.658 2.932 -3.790 42 HA LEU 6 HA LEU 6 15.381 1.355 -3.332 43 HB2 LEU 6 HB3 LEU 6 18.045 1.637 -2.077 44 HB3 LEU 6 HB2 LEU 6 16.803 0.894 -1.092 45 HG LEU 6 HG LEU 6 18.164 -0.777 -2.260 46 HD11 LEU 6 HD11 LEU 6 15.830 -1.279 -1.719 47 HD12 LEU 6 HD12 LEU 6 16.355 -2.098 -3.190 48 HD13 LEU 6 HD13 LEU 6 15.336 -0.664 -3.296 49 HD21 LEU 6 HD21 LEU 6 18.742 0.517 -4.243 50 HD22 LEU 6 HD22 LEU 6 17.064 0.450 -4.784 51 HD23 LEU 6 HD23 LEU 6 18.018 -1.030 -4.682 52 H GLU 7 H GLU 7 16.701 4.081 -1.466 53 HA GLU 7 HA GLU 7 14.799 3.853 0.630 54 HB2 GLU 7 HB3 GLU 7 15.575 6.017 1.380 55 HB3 GLU 7 HB2 GLU 7 16.954 5.047 0.886 56 HG2 GLU 7 HG3 GLU 7 17.035 6.251 -1.239 57 HG3 GLU 7 HG2 GLU 7 15.659 7.229 -0.732 58 H ASP 8 H ASP 8 14.734 5.321 -2.504 59 HA ASP 8 HA ASP 8 12.415 6.935 -1.966 60 HB2 ASP 8 HB3 ASP 8 14.109 6.386 -4.337 61 HB3 ASP 8 HB2 ASP 8 12.443 6.867 -4.644 62 H LYS 9 H LYS 9 13.061 3.724 -3.175 63 HA LYS 9 HA LYS 9 10.526 3.230 -4.310 64 HB2 LYS 9 HB3 LYS 9 12.566 1.336 -3.143 65 HB3 LYS 9 HB2 LYS 9 11.113 0.808 -3.980 66 HG2 LYS 9 HG3 LYS 9 11.864 1.971 -5.999 67 HG3 LYS 9 HG2 LYS 9 13.329 2.471 -5.153 68 HD2 LYS 9 HD3 LYS 9 13.937 0.117 -4.832 69 HD3 LYS 9 HD2 LYS 9 12.480 -0.372 -5.700 70 HE2 LYS 9 HE3 LYS 9 14.725 1.291 -6.836 71 HE3 LYS 9 HE2 LYS 9 14.481 -0.428 -7.129 72 HZ1 LYS 9 HZ1 LYS 9 13.624 0.919 -8.940 73 HZ2 LYS 9 HZ2 LYS 9 12.586 1.732 -7.882 74 HZ3 LYS 9 HZ3 LYS 9 12.371 0.082 -8.178 75 H VAL 10 H VAL 10 11.815 2.571 -1.064 76 HA VAL 10 HA VAL 10 9.448 1.364 -0.106 77 HB VAL 10 HB VAL 10 11.600 1.013 1.005 78 HG11 VAL 10 HG11 VAL 10 12.543 3.247 0.774 79 HG12 VAL 10 HG12 VAL 10 12.582 2.709 2.452 80 HG13 VAL 10 HG13 VAL 10 11.364 3.871 1.928 81 HG21 VAL 10 HG21 VAL 10 9.526 2.277 2.791 82 HG22 VAL 10 HG22 VAL 10 10.833 1.222 3.328 83 HG23 VAL 10 HG23 VAL 10 9.574 0.595 2.265 84 H GLU 11 H GLU 11 10.555 4.718 -0.168 85 HA GLU 11 HA GLU 11 8.359 5.706 1.391 86 HB2 GLU 11 HB3 GLU 11 10.315 7.095 -0.445 87 HB3 GLU 11 HB2 GLU 11 9.092 7.939 0.497 88 HG2 GLU 11 HG3 GLU 11 11.301 6.234 1.624 89 HG3 GLU 11 HG2 GLU 11 11.287 7.994 1.561 90 H GLU 12 H GLU 12 9.016 5.251 -2.025 91 HA GLU 12 HA GLU 12 6.830 6.578 -3.124 92 HB2 GLU 12 HB3 GLU 12 8.646 5.673 -4.482 93 HB3 GLU 12 HB2 GLU 12 8.173 4.036 -4.056 94 HG2 GLU 12 HG3 GLU 12 6.087 4.288 -5.240 95 HG3 GLU 12 HG2 GLU 12 6.468 5.971 -5.600 96 H LEU 13 H LEU 13 7.033 3.073 -2.360 97 HA LEU 13 HA LEU 13 4.234 2.758 -2.692 98 HB2 LEU 13 HB3 LEU 13 6.293 0.931 -1.494 99 HB3 LEU 13 HB2 LEU 13 4.585 0.533 -1.496 100 HG LEU 13 HG LEU 13 4.740 1.018 -4.049 101 HD11 LEU 13 HD11 LEU 13 7.003 1.890 -4.050 102 HD12 LEU 13 HD12 LEU 13 6.896 0.423 -5.022 103 HD13 LEU 13 HD13 LEU 13 7.609 0.362 -3.411 104 HD21 LEU 13 HD21 LEU 13 5.325 -1.346 -4.446 105 HD22 LEU 13 HD22 LEU 13 4.160 -1.134 -3.140 106 HD23 LEU 13 HD23 LEU 13 5.852 -1.471 -2.767 107 H LEU 14 H LEU 14 6.145 3.655 0.085 108 HA LEU 14 HA LEU 14 4.214 3.287 2.073 109 HB2 LEU 14 HB3 LEU 14 6.548 3.892 2.519 110 HB3 LEU 14 HB2 LEU 14 6.313 5.449 1.773 111 HG LEU 14 HG LEU 14 6.426 5.416 4.276 112 HD11 LEU 14 HD11 LEU 14 5.536 7.315 3.065 113 HD12 LEU 14 HD12 LEU 14 4.677 7.067 4.585 114 HD13 LEU 14 HD13 LEU 14 3.936 6.575 3.063 115 HD21 LEU 14 HD21 LEU 14 5.100 3.398 4.654 116 HD22 LEU 14 HD22 LEU 14 3.669 4.231 4.048 117 HD23 LEU 14 HD23 LEU 14 4.450 4.783 5.528 118 H SER 15 H SER 15 4.744 5.909 -0.222 119 HA SER 15 HA SER 15 2.478 7.438 0.586 120 HB2 SER 15 HB3 SER 15 3.930 7.470 -2.072 121 HB3 SER 15 HB2 SER 15 2.892 8.741 -1.426 122 HG SER 15 HG SER 15 5.400 7.870 -0.403 123 H LYS 16 H LYS 16 3.092 4.891 -1.741 124 HA LYS 16 HA LYS 16 0.708 5.008 -3.207 125 HB2 LYS 16 HB3 LYS 16 2.717 3.685 -3.818 126 HB3 LYS 16 HB2 LYS 16 2.347 2.570 -2.511 127 HG2 LYS 16 HG3 LYS 16 0.255 1.967 -3.605 128 HG3 LYS 16 HG2 LYS 16 0.621 3.089 -4.919 129 HD2 LYS 16 HD3 LYS 16 2.678 1.815 -5.398 130 HD3 LYS 16 HD2 LYS 16 2.246 0.671 -4.129 131 HE2 LYS 16 HE3 LYS 16 1.639 -0.196 -6.317 132 HE3 LYS 16 HE2 LYS 16 0.201 0.099 -5.340 133 HZ1 LYS 16 HZ1 LYS 16 -0.198 2.123 -6.539 134 HZ2 LYS 16 HZ2 LYS 16 -0.021 0.863 -7.651 135 HZ3 LYS 16 HZ3 LYS 16 1.241 1.955 -7.409 136 H ASN 17 H ASN 17 1.514 2.911 -0.400 137 HA ASN 17 HA ASN 17 -1.112 1.843 -0.248 138 HB2 ASN 17 HB3 ASN 17 -0.435 0.716 1.726 139 HB3 ASN 17 HB2 ASN 17 0.984 0.761 0.689 140 HD21 ASN 17 HD21 ASN 17 -0.472 1.942 3.606 141 HD22 ASN 17 HD22 ASN 17 0.955 2.638 4.281 142 H TYR 18 H TYR 18 0.335 4.732 0.957 143 HA TYR 18 HA TYR 18 -1.511 5.323 3.005 144 HB2 TYR 18 HB3 TYR 18 0.555 6.576 2.832 145 HB3 TYR 18 HB2 TYR 18 0.114 7.158 1.230 146 HD1 TYR 18 HD1 TYR 18 -0.900 9.230 1.022 147 HD2 TYR 18 HD2 TYR 18 -1.094 7.213 4.760 148 HE1 TYR 18 HE1 TYR 18 -1.983 11.196 2.020 149 HE2 TYR 18 HE2 TYR 18 -2.176 9.175 5.769 150 HH TYR 18 HH TYR 18 -2.406 11.549 5.398 151 H HIS 19 H HIS 19 -1.425 6.317 -0.412 152 HA HIS 19 HA HIS 19 -3.947 7.625 -0.331 153 HB2 HIS 19 HB3 HIS 19 -2.215 6.630 -2.581 154 HB3 HIS 19 HB2 HIS 19 -3.803 7.323 -2.889 155 HD1 HIS 19 HD1 HIS 19 -3.845 9.776 -3.221 156 HD2 HIS 19 HD2 HIS 19 -0.462 8.547 -1.137 157 HE1 HIS 19 HE1 HIS 19 -2.445 11.841 -2.924 158 HE2 HIS 19 HE2 HIS 19 -0.350 11.053 -1.771 159 H LEU 20 H LEU 20 -2.924 4.358 -1.005 160 HA LEU 20 HA LEU 20 -5.373 3.457 -2.095 161 HB2 LEU 20 HB3 LEU 20 -3.178 2.408 -2.486 162 HB3 LEU 20 HB2 LEU 20 -3.114 1.937 -0.801 163 HG LEU 20 HG LEU 20 -5.064 0.500 -1.134 164 HD11 LEU 20 HD11 LEU 20 -5.842 0.015 -3.412 165 HD12 LEU 20 HD12 LEU 20 -4.805 1.303 -4.026 166 HD13 LEU 20 HD13 LEU 20 -6.149 1.688 -2.950 167 HD21 LEU 20 HD21 LEU 20 -3.927 -1.214 -2.447 168 HD22 LEU 20 HD22 LEU 20 -2.805 -0.398 -1.361 169 HD23 LEU 20 HD23 LEU 20 -2.818 0.002 -3.079 170 H GLU 21 H GLU 21 -4.021 3.598 1.167 171 HA GLU 21 HA GLU 21 -6.070 2.105 2.442 172 HB2 GLU 21 HB3 GLU 21 -3.876 2.656 3.491 173 HB3 GLU 21 HB2 GLU 21 -4.388 4.334 3.608 174 HG2 GLU 21 HG3 GLU 21 -6.243 3.654 5.062 175 HG3 GLU 21 HG2 GLU 21 -5.687 1.984 4.968 176 H ASN 22 H ASN 22 -5.686 5.505 1.638 177 HA ASN 22 HA ASN 22 -8.054 6.419 2.884 178 HB2 ASN 22 HB3 ASN 22 -6.245 7.517 0.768 179 HB3 ASN 22 HB2 ASN 22 -7.790 8.301 1.083 180 HD21 ASN 22 HD21 ASN 22 -4.647 7.535 2.372 181 HD22 ASN 22 HD22 ASN 22 -4.720 8.619 3.718 182 H GLU 23 H GLU 23 -7.452 4.637 0.051 183 HA GLU 23 HA GLU 23 -9.816 5.354 -1.397 184 HB2 GLU 23 HB3 GLU 23 -7.811 4.539 -2.546 185 HB3 GLU 23 HB2 GLU 23 -7.936 2.994 -1.681 186 HG2 GLU 23 HG3 GLU 23 -8.734 2.698 -3.907 187 HG3 GLU 23 HG2 GLU 23 -10.104 2.606 -2.803 188 H VAL 24 H VAL 24 -8.857 2.728 0.775 189 HA VAL 24 HA VAL 24 -11.246 1.214 0.509 190 HB VAL 24 HB VAL 24 -9.519 1.296 2.989 191 HG11 VAL 24 HG11 VAL 24 -11.675 0.116 3.156 192 HG12 VAL 24 HG12 VAL 24 -10.298 -0.970 3.330 193 HG13 VAL 24 HG13 VAL 24 -11.196 -0.923 1.811 194 HG21 VAL 24 HG21 VAL 24 -8.158 -0.463 2.063 195 HG22 VAL 24 HG22 VAL 24 -8.107 0.932 0.987 196 HG23 VAL 24 HG23 VAL 24 -9.105 -0.463 0.578 197 H ALA 25 H ALA 25 -10.221 3.815 2.635 198 HA ALA 25 HA ALA 25 -12.258 3.623 4.544 199 HB1 ALA 25 HB1 ALA 25 -10.155 4.924 4.799 200 HB2 ALA 25 HB2 ALA 25 -11.610 5.791 5.287 201 HB3 ALA 25 HB3 ALA 25 -10.849 6.153 3.739 202 H ARG 26 H ARG 26 -12.136 5.512 1.512 203 HA ARG 26 HA ARG 26 -14.587 6.805 2.014 204 HB2 ARG 26 HB3 ARG 26 -14.578 7.009 -0.599 205 HB3 ARG 26 HB2 ARG 26 -13.508 7.967 0.398 206 HG2 ARG 26 HG3 ARG 26 -11.651 6.561 -0.142 207 HG3 ARG 26 HG2 ARG 26 -12.701 5.404 -0.984 208 HD2 ARG 26 HD2 ARG 26 -12.997 6.783 -2.783 209 HD3 ARG 26 HD1 ARG 26 -12.796 8.250 -1.834 210 HE ARG 26 HE ARG 26 -10.315 7.120 -1.857 211 HH11 ARG 26 HH11 ARG 26 -12.619 8.092 -4.302 212 HH12 ARG 26 HH12 ARG 26 -11.408 8.532 -5.463 213 HH21 ARG 26 HH21 ARG 26 -8.696 7.711 -3.394 214 HH22 ARG 26 HH22 ARG 26 -9.182 8.318 -4.945 215 H LEU 27 H LEU 27 -13.828 3.794 0.274 216 HA LEU 27 HA LEU 27 -16.490 3.305 -0.535 217 HB2 LEU 27 HB3 LEU 27 -14.138 1.496 -0.104 218 HB3 LEU 27 HB2 LEU 27 -15.724 0.832 -0.404 219 HG LEU 27 HG LEU 27 -15.847 2.000 -2.542 220 HD11 LEU 27 HD11 LEU 27 -13.026 2.876 -1.958 221 HD12 LEU 27 HD12 LEU 27 -14.443 3.923 -2.045 222 HD13 LEU 27 HD13 LEU 27 -13.877 3.085 -3.489 223 HD21 LEU 27 HD21 LEU 27 -15.033 -0.250 -2.526 224 HD22 LEU 27 HD22 LEU 27 -13.398 0.306 -2.164 225 HD23 LEU 27 HD23 LEU 27 -14.134 0.689 -3.720 226 H LYS 28 H LYS 28 -14.762 2.596 2.447 227 HA LYS 28 HA LYS 28 -16.622 0.983 3.716 228 HB2 LYS 28 HB3 LYS 28 -14.334 1.583 4.552 229 HB3 LYS 28 HB2 LYS 28 -14.973 3.147 5.032 230 HG2 LYS 28 HG3 LYS 28 -14.850 1.682 6.940 231 HG3 LYS 28 HG2 LYS 28 -16.540 2.020 6.554 232 HD2 LYS 28 HD3 LYS 28 -16.738 -0.129 5.436 233 HD3 LYS 28 HD2 LYS 28 -15.031 -0.461 5.733 234 HE2 LYS 28 HE3 LYS 28 -17.117 -0.049 7.869 235 HE3 LYS 28 HE2 LYS 28 -16.529 -1.616 7.320 236 HZ1 LYS 28 HZ1 LYS 28 -15.395 -0.966 9.318 237 HZ2 LYS 28 HZ2 LYS 28 -14.918 0.503 8.635 238 HZ3 LYS 28 HZ3 LYS 28 -14.295 -0.948 8.034 239 H LYS 29 H LYS 29 -16.580 4.495 3.348 240 HA LYS 29 HA LYS 29 -18.840 4.963 5.016 241 HB2 LYS 29 HB3 LYS 29 -17.515 6.659 2.899 242 HB3 LYS 29 HB2 LYS 29 -18.807 7.212 3.949 243 HG2 LYS 29 HG3 LYS 29 -16.117 6.245 4.885 244 HG3 LYS 29 HG2 LYS 29 -16.592 7.936 4.715 245 HD2 LYS 29 HD3 LYS 29 -18.396 7.571 6.348 246 HD3 LYS 29 HD2 LYS 29 -17.867 5.899 6.541 247 HE2 LYS 29 HE3 LYS 29 -15.703 6.671 7.352 248 HE3 LYS 29 HE2 LYS 29 -16.208 8.346 7.133 249 HZ1 LYS 29 HZ1 LYS 29 -16.443 7.683 9.425 250 HZ2 LYS 29 HZ2 LYS 29 -17.432 6.383 8.993 251 HZ3 LYS 29 HZ3 LYS 29 -17.970 7.967 8.761 252 H LEU 30 H LEU 30 -18.349 4.380 1.586 253 HA LEU 30 HA LEU 30 -20.999 5.004 0.779 254 HB2 LEU 30 HB3 LEU 30 -18.688 3.588 -0.439 255 HB3 LEU 30 HB2 LEU 30 -20.270 3.285 -1.126 256 HG LEU 30 HG LEU 30 -20.544 5.698 -1.553 257 HD11 LEU 30 HD11 LEU 30 -17.706 5.924 -0.565 258 HD12 LEU 30 HD12 LEU 30 -19.139 6.565 0.240 259 HD13 LEU 30 HD13 LEU 30 -18.646 7.208 -1.327 260 HD21 LEU 30 HD21 LEU 30 -18.023 4.485 -2.668 261 HD22 LEU 30 HD22 LEU 30 -18.877 5.869 -3.349 262 HD23 LEU 30 HD23 LEU 30 -19.655 4.288 -3.304 263 H VAL 31 H VAL 31 -19.444 2.126 2.026 264 HA VAL 31 HA VAL 31 -21.763 0.459 1.622 265 HB VAL 31 HB VAL 31 -19.352 -0.066 3.388 266 HG11 VAL 31 HG11 VAL 31 -21.300 -1.447 3.935 267 HG12 VAL 31 HG12 VAL 31 -20.003 -2.405 3.224 268 HG13 VAL 31 HG13 VAL 31 -21.405 -1.962 2.252 269 HG21 VAL 31 HG21 VAL 31 -18.689 0.288 1.069 270 HG22 VAL 31 HG22 VAL 31 -19.868 -0.914 0.542 271 HG23 VAL 31 HG23 VAL 31 -18.496 -1.401 1.539 272 H GLY 32 H GLY 32 -20.529 2.570 4.092 273 HA2 GLY 32 HA3 GLY 32 -22.189 1.508 6.199 274 HA3 GLY 32 HA2 GLY 32 -21.194 2.955 6.277 275 H GLU 33 H GLU 33 -22.098 4.576 4.406 276 HA GLU 33 HA GLU 33 -23.680 6.116 3.920 277 HB2 GLU 33 HB3 GLU 33 -24.688 4.135 2.779 278 HB3 GLU 33 HB2 GLU 33 -25.638 3.834 4.225 279 HG2 GLU 33 HG3 GLU 33 -26.971 4.960 2.563 280 HG3 GLU 33 HG2 GLU 33 -26.728 6.007 3.959 281 H1 GLY 1 H1 GLY 1 24.767 0.606 3.827 282 H2 GLY 1 H2 GLY 1 26.213 0.029 4.478 283 H3 GLY 1 H3 GLY 1 24.887 0.309 5.487 284 HA2 GLY 1 HA2 GLY 1 25.056 -1.751 3.360 285 HA3 GLY 1 HA3 GLY 1 25.142 -2.048 5.091 286 H SER 2 H SER 2 23.341 -3.325 5.237 287 HA SER 2 HA SER 2 21.140 -3.718 5.750 288 HB2 SER 2 HB3 SER 2 20.734 -0.759 5.228 289 HB3 SER 2 HB2 SER 2 19.572 -1.844 5.992 290 HG SER 2 HG SER 2 20.778 -1.925 7.775 291 H MET 3 H MET 3 22.320 -3.783 3.056 292 HA MET 3 HA MET 3 20.458 -2.961 1.109 293 HB2 MET 3 HB3 MET 3 22.618 -5.056 1.119 294 HB3 MET 3 HB2 MET 3 21.646 -4.719 -0.310 295 HG2 MET 3 HG3 MET 3 23.487 -2.826 1.131 296 HG3 MET 3 HG2 MET 3 23.727 -3.542 -0.460 297 HE1 MET 3 HE1 MET 3 20.864 -1.796 -2.529 298 HE2 MET 3 HE2 MET 3 20.674 -3.290 -1.611 299 HE3 MET 3 HE3 MET 3 22.140 -3.013 -2.550 300 H LYS 4 H LYS 4 20.781 -5.858 3.032 301 HA LYS 4 HA LYS 4 18.802 -7.386 1.664 302 HB2 LYS 4 HB3 LYS 4 19.895 -7.592 4.475 303 HB3 LYS 4 HB2 LYS 4 18.770 -8.746 3.780 304 HG2 LYS 4 HG3 LYS 4 20.384 -9.405 2.124 305 HG3 LYS 4 HG2 LYS 4 21.505 -8.153 2.662 306 HD2 LYS 4 HD3 LYS 4 21.582 -9.233 4.883 307 HD3 LYS 4 HD2 LYS 4 20.551 -10.523 4.261 308 HE2 LYS 4 HE3 LYS 4 22.240 -11.127 2.639 309 HE3 LYS 4 HE2 LYS 4 23.251 -9.780 3.152 310 HZ1 LYS 4 HZ1 LYS 4 23.468 -10.800 5.320 311 HZ2 LYS 4 HZ2 LYS 4 23.975 -11.877 4.119 312 HZ3 LYS 4 HZ3 LYS 4 22.467 -12.080 4.856 313 H GLN 5 H GLN 5 18.786 -5.079 4.286 314 HA GLN 5 HA GLN 5 16.097 -5.598 5.097 315 HB2 GLN 5 HB3 GLN 5 17.889 -3.230 5.664 316 HB3 GLN 5 HB2 GLN 5 16.361 -3.564 6.468 317 HG2 GLN 5 HG3 GLN 5 17.283 -5.659 7.339 318 HG3 GLN 5 HG2 GLN 5 18.818 -5.301 6.549 319 HE21 GLN 5 HE21 GLN 5 18.185 -5.693 9.373 320 HE22 GLN 5 HE22 GLN 5 18.722 -4.264 10.183 321 H LEU 6 H LEU 6 17.676 -3.118 3.110 322 HA LEU 6 HA LEU 6 15.401 -1.534 2.659 323 HB2 LEU 6 HB3 LEU 6 18.058 -1.832 1.393 324 HB3 LEU 6 HB2 LEU 6 16.814 -1.090 0.409 325 HG LEU 6 HG LEU 6 18.185 0.582 1.560 326 HD11 LEU 6 HD11 LEU 6 15.855 1.087 1.024 327 HD12 LEU 6 HD12 LEU 6 16.385 1.914 2.489 328 HD13 LEU 6 HD13 LEU 6 15.363 0.483 2.606 329 HD21 LEU 6 HD21 LEU 6 18.768 -0.703 3.551 330 HD22 LEU 6 HD22 LEU 6 17.094 -0.624 4.099 331 HD23 LEU 6 HD23 LEU 6 18.054 0.851 3.982 332 H GLU 7 H GLU 7 16.703 -4.271 0.799 333 HA GLU 7 HA GLU 7 14.792 -4.051 -1.290 334 HB2 GLU 7 HB3 GLU 7 15.560 -6.217 -2.033 335 HB3 GLU 7 HB2 GLU 7 16.943 -5.251 -1.547 336 HG2 GLU 7 HG3 GLU 7 17.030 -6.452 0.582 337 HG3 GLU 7 HG2 GLU 7 15.647 -7.425 0.083 338 H ASP 8 H ASP 8 14.741 -5.510 1.853 339 HA ASP 8 HA ASP 8 12.412 -7.114 1.334 340 HB2 ASP 8 HB3 ASP 8 14.117 -6.551 3.697 341 HB3 ASP 8 HB2 ASP 8 12.451 -7.027 4.012 342 H LYS 9 H LYS 9 13.072 -3.896 2.514 343 HA LYS 9 HA LYS 9 10.544 -3.389 3.664 344 HB2 LYS 9 HB3 LYS 9 12.586 -1.507 2.476 345 HB3 LYS 9 HB2 LYS 9 11.138 -0.970 3.318 346 HG2 LYS 9 HG3 LYS 9 11.897 -2.120 5.341 347 HG3 LYS 9 HG2 LYS 9 13.357 -2.628 4.491 348 HD2 LYS 9 HD3 LYS 9 13.969 -0.278 4.154 349 HD3 LYS 9 HD2 LYS 9 12.517 0.220 5.024 350 HE2 LYS 9 HE3 LYS 9 14.762 -1.442 6.162 351 HE3 LYS 9 HE2 LYS 9 14.523 0.281 6.444 352 HZ1 LYS 9 HZ1 LYS 9 13.671 -1.054 8.269 353 HZ2 LYS 9 HZ2 LYS 9 12.624 -1.869 7.219 354 HZ3 LYS 9 HZ3 LYS 9 12.415 -0.217 7.505 355 H VAL 10 H VAL 10 11.826 -2.750 0.408 356 HA VAL 10 HA VAL 10 9.458 -1.542 -0.545 357 HB VAL 10 HB VAL 10 11.608 -1.205 -1.665 358 HG11 VAL 10 HG11 VAL 10 12.540 -3.442 -1.427 359 HG12 VAL 10 HG12 VAL 10 12.574 -2.913 -3.109 360 HG13 VAL 10 HG13 VAL 10 11.353 -4.067 -2.572 361 HG21 VAL 10 HG21 VAL 10 9.524 -2.472 -3.435 362 HG22 VAL 10 HG22 VAL 10 10.833 -1.424 -3.981 363 HG23 VAL 10 HG23 VAL 10 9.578 -0.786 -2.918 364 H GLU 11 H GLU 11 10.548 -4.895 -0.450 365 HA GLU 11 HA GLU 11 8.354 -5.892 -2.013 366 HB2 GLU 11 HB3 GLU 11 10.321 -7.267 -0.179 367 HB3 GLU 11 HB2 GLU 11 9.089 -8.120 -1.094 368 HG2 GLU 11 HG3 GLU 11 11.289 -6.438 -2.273 369 HG3 GLU 11 HG2 GLU 11 11.266 -8.197 -2.192 370 H GLU 12 H GLU 12 9.014 -5.409 1.395 371 HA GLU 12 HA GLU 12 6.831 -6.731 2.508 372 HB2 GLU 12 HB3 GLU 12 8.653 -5.825 3.857 373 HB3 GLU 12 HB2 GLU 12 8.187 -4.187 3.420 374 HG2 GLU 12 HG3 GLU 12 6.107 -4.419 4.619 375 HG3 GLU 12 HG2 GLU 12 6.472 -6.104 4.979 376 H LEU 13 H LEU 13 7.043 -3.229 1.730 377 HA LEU 13 HA LEU 13 4.247 -2.902 2.069 378 HB2 LEU 13 HB3 LEU 13 6.309 -1.089 0.858 379 HB3 LEU 13 HB2 LEU 13 4.604 -0.686 0.862 380 HG LEU 13 HG LEU 13 4.765 -1.159 3.419 381 HD11 LEU 13 HD11 LEU 13 7.027 -2.036 3.418 382 HD12 LEU 13 HD12 LEU 13 6.930 -0.561 4.380 383 HD13 LEU 13 HD13 LEU 13 7.634 -0.514 2.764 384 HD21 LEU 13 HD21 LEU 13 5.361 1.206 3.800 385 HD22 LEU 13 HD22 LEU 13 4.187 0.989 2.502 386 HD23 LEU 13 HD23 LEU 13 5.879 1.321 2.118 387 H LEU 14 H LEU 14 6.145 -3.824 -0.709 388 HA LEU 14 HA LEU 14 4.208 -3.461 -2.691 389 HB2 LEU 14 HB3 LEU 14 6.539 -4.075 -3.143 390 HB3 LEU 14 HB2 LEU 14 6.304 -5.628 -2.386 391 HG LEU 14 HG LEU 14 6.405 -5.610 -4.889 392 HD11 LEU 14 HD11 LEU 14 5.518 -7.502 -3.667 393 HD12 LEU 14 HD12 LEU 14 4.647 -7.257 -5.181 394 HD13 LEU 14 HD13 LEU 14 3.919 -6.757 -3.654 395 HD21 LEU 14 HD21 LEU 14 5.083 -3.591 -5.278 396 HD22 LEU 14 HD22 LEU 14 3.652 -4.414 -4.657 397 HD23 LEU 14 HD23 LEU 14 4.423 -4.981 -6.137 398 H SER 15 H SER 15 4.740 -6.072 -0.384 399 HA SER 15 HA SER 15 2.465 -7.600 -1.173 400 HB2 SER 15 HB3 SER 15 3.932 -7.620 1.479 401 HB3 SER 15 HB2 SER 15 2.888 -8.892 0.845 402 HG SER 15 HG SER 15 5.403 -8.038 -0.174 403 H LYS 16 H LYS 16 3.096 -5.039 1.138 404 HA LYS 16 HA LYS 16 0.721 -5.143 2.612 405 HB2 LYS 16 HB3 LYS 16 2.735 -3.825 3.209 406 HB3 LYS 16 HB2 LYS 16 2.364 -2.716 1.899 407 HG2 LYS 16 HG3 LYS 16 0.276 -2.101 3.001 408 HG3 LYS 16 HG2 LYS 16 0.647 -3.218 4.318 409 HD2 LYS 16 HD3 LYS 16 2.708 -1.947 4.781 410 HD3 LYS 16 HD2 LYS 16 2.275 -0.809 3.505 411 HE2 LYS 16 HE3 LYS 16 1.677 0.074 5.689 412 HE3 LYS 16 HE2 LYS 16 0.237 -0.224 4.717 413 HZ1 LYS 16 HZ1 LYS 16 -0.169 -2.234 5.934 414 HZ2 LYS 16 HZ2 LYS 16 0.012 -0.966 7.033 415 HZ3 LYS 16 HZ3 LYS 16 1.273 -2.070 6.799 416 H ASN 17 H ASN 17 1.517 -3.063 -0.208 417 HA ASN 17 HA ASN 17 -1.108 -1.990 -0.354 418 HB2 ASN 17 HB3 ASN 17 -0.435 -0.876 -2.338 419 HB3 ASN 17 HB2 ASN 17 0.989 -0.918 -1.308 420 HD21 ASN 17 HD21 ASN 17 -0.485 -2.111 -4.209 421 HD22 ASN 17 HD22 ASN 17 0.937 -2.816 -4.885 422 H TYR 18 H TYR 18 0.329 -4.891 -1.554 423 HA TYR 18 HA TYR 18 -1.527 -5.488 -3.591 424 HB2 TYR 18 HB3 TYR 18 0.536 -6.746 -3.418 425 HB3 TYR 18 HB2 TYR 18 0.100 -7.317 -1.811 426 HD1 TYR 18 HD1 TYR 18 -0.918 -9.386 -1.584 427 HD2 TYR 18 HD2 TYR 18 -1.125 -7.389 -5.337 428 HE1 TYR 18 HE1 TYR 18 -2.014 -11.355 -2.566 429 HE2 TYR 18 HE2 TYR 18 -2.219 -9.354 -6.330 430 HH TYR 18 HH TYR 18 -2.448 -11.735 -5.937 431 H HIS 19 H HIS 19 -1.434 -6.458 -0.165 432 HA HIS 19 HA HIS 19 -3.958 -7.763 -0.225 433 HB2 HIS 19 HB3 HIS 19 -2.211 -6.758 2.010 434 HB3 HIS 19 HB2 HIS 19 -3.799 -7.445 2.331 435 HD1 HIS 19 HD1 HIS 19 -3.849 -9.889 2.673 436 HD2 HIS 19 HD2 HIS 19 -0.476 -8.685 0.565 437 HE1 HIS 19 HE1 HIS 19 -2.458 -11.962 2.377 438 HE2 HIS 19 HE2 HIS 19 -0.363 -11.183 1.223 439 H LEU 20 H LEU 20 -2.923 -4.493 0.416 440 HA LEU 20 HA LEU 20 -5.364 -3.578 1.518 441 HB2 LEU 20 HB3 LEU 20 -3.164 -2.534 1.895 442 HB3 LEU 20 HB2 LEU 20 -3.105 -2.069 0.207 443 HG LEU 20 HG LEU 20 -5.053 -0.630 0.543 444 HD11 LEU 20 HD11 LEU 20 -5.813 -0.130 2.826 445 HD12 LEU 20 HD12 LEU 20 -4.776 -1.418 3.438 446 HD13 LEU 20 HD13 LEU 20 -6.129 -1.805 2.375 447 HD21 LEU 20 HD21 LEU 20 -3.905 1.090 1.840 448 HD22 LEU 20 HD22 LEU 20 -2.790 0.266 0.752 449 HD23 LEU 20 HD23 LEU 20 -2.794 -0.124 2.471 450 H GLU 21 H GLU 21 -4.026 -3.736 -1.744 451 HA GLU 21 HA GLU 21 -6.075 -2.250 -3.020 452 HB2 GLU 21 HB3 GLU 21 -3.888 -2.814 -4.074 453 HB3 GLU 21 HB2 GLU 21 -4.403 -4.491 -4.176 454 HG2 GLU 21 HG3 GLU 21 -6.265 -3.815 -5.624 455 HG3 GLU 21 HG2 GLU 21 -5.700 -2.148 -5.547 456 H ASN 22 H ASN 22 -5.697 -5.646 -2.200 457 HA ASN 22 HA ASN 22 -8.072 -6.560 -3.432 458 HB2 ASN 22 HB3 ASN 22 -6.261 -7.650 -1.314 459 HB3 ASN 22 HB2 ASN 22 -7.810 -8.430 -1.617 460 HD21 ASN 22 HD21 ASN 22 -4.670 -7.668 -2.935 461 HD22 ASN 22 HD22 ASN 22 -4.746 -8.783 -4.256 462 H GLU 23 H GLU 23 -7.458 -4.762 -0.612 463 HA GLU 23 HA GLU 23 -9.817 -5.466 0.848 464 HB2 GLU 23 HB3 GLU 23 -7.806 -4.649 1.989 465 HB3 GLU 23 HB2 GLU 23 -7.928 -3.109 1.116 466 HG2 GLU 23 HG3 GLU 23 -8.722 -2.795 3.341 467 HG3 GLU 23 HG2 GLU 23 -10.097 -2.714 2.244 468 H VAL 24 H VAL 24 -8.859 -2.855 -1.338 469 HA VAL 24 HA VAL 24 -11.244 -1.334 -1.070 470 HB VAL 24 HB VAL 24 -9.530 -1.430 -3.556 471 HG11 VAL 24 HG11 VAL 24 -11.680 -0.243 -3.716 472 HG12 VAL 24 HG12 VAL 24 -10.301 0.836 -3.901 473 HG13 VAL 24 HG13 VAL 24 -11.190 0.802 -2.378 474 HG21 VAL 24 HG21 VAL 24 -8.156 0.329 -2.646 475 HG22 VAL 24 HG22 VAL 24 -8.102 -1.061 -1.563 476 HG23 VAL 24 HG23 VAL 24 -9.094 0.338 -1.155 477 H ALA 25 H ALA 25 -10.230 -3.947 -3.191 478 HA ALA 25 HA ALA 25 -12.279 -3.757 -5.086 479 HB1 ALA 25 HB1 ALA 25 -10.185 -5.063 -5.352 480 HB2 ALA 25 HB2 ALA 25 -11.645 -5.933 -5.821 481 HB3 ALA 25 HB3 ALA 25 -10.870 -6.285 -4.278 482 H ARG 26 H ARG 26 -12.152 -5.631 -2.049 483 HA ARG 26 HA ARG 26 -14.609 -6.922 -2.533 484 HB2 ARG 26 HB3 ARG 26 -14.590 -7.110 0.082 485 HB3 ARG 26 HB2 ARG 26 -13.527 -8.078 -0.914 486 HG2 ARG 26 HG3 ARG 26 -11.662 -6.673 -0.388 487 HG3 ARG 26 HG2 ARG 26 -12.705 -5.512 0.453 488 HD2 ARG 26 HD2 ARG 26 -12.994 -6.880 2.262 489 HD3 ARG 26 HD1 ARG 26 -12.807 -8.353 1.319 490 HE ARG 26 HE ARG 26 -10.316 -7.229 1.322 491 HH11 ARG 26 HH11 ARG 26 -12.609 -8.175 3.786 492 HH12 ARG 26 HH12 ARG 26 -11.392 -8.621 4.939 493 HH21 ARG 26 HH21 ARG 26 -8.696 -7.823 2.851 494 HH22 ARG 26 HH22 ARG 26 -9.172 -8.427 4.406 495 H LEU 27 H LEU 27 -13.831 -3.903 -0.812 496 HA LEU 27 HA LEU 27 -16.489 -3.400 0.007 497 HB2 LEU 27 HB3 LEU 27 -14.135 -1.600 -0.442 498 HB3 LEU 27 HB2 LEU 27 -15.718 -0.932 -0.138 499 HG LEU 27 HG LEU 27 -15.834 -2.087 2.007 500 HD11 LEU 27 HD11 LEU 27 -13.019 -2.971 1.416 501 HD12 LEU 27 HD12 LEU 27 -14.436 -4.015 1.516 502 HD13 LEU 27 HD13 LEU 27 -13.862 -3.168 2.952 503 HD21 LEU 27 HD21 LEU 27 -15.013 0.161 1.975 504 HD22 LEU 27 HD22 LEU 27 -13.382 -0.403 1.609 505 HD23 LEU 27 HD23 LEU 27 -14.114 -0.775 3.170 506 H LYS 28 H LYS 28 -14.769 -2.716 -2.984 507 HA LYS 28 HA LYS 28 -16.631 -1.102 -4.258 508 HB2 LYS 28 HB3 LYS 28 -14.346 -1.712 -5.100 509 HB3 LYS 28 HB2 LYS 28 -14.989 -3.278 -5.569 510 HG2 LYS 28 HG3 LYS 28 -14.875 -1.822 -7.486 511 HG3 LYS 28 HG2 LYS 28 -16.562 -2.157 -7.091 512 HD2 LYS 28 HD3 LYS 28 -16.749 -0.001 -5.979 513 HD3 LYS 28 HD2 LYS 28 -15.045 0.326 -6.292 514 HE2 LYS 28 HE3 LYS 28 -17.154 -0.093 -8.405 515 HE3 LYS 28 HE2 LYS 28 -16.553 1.475 -7.873 516 HZ1 LYS 28 HZ1 LYS 28 -15.442 0.807 -9.877 517 HZ2 LYS 28 HZ2 LYS 28 -14.965 -0.659 -9.190 518 HZ3 LYS 28 HZ3 LYS 28 -14.329 0.793 -8.606 519 H LYS 29 H LYS 29 -16.595 -4.611 -3.864 520 HA LYS 29 HA LYS 29 -18.860 -5.083 -5.522 521 HB2 LYS 29 HB3 LYS 29 -17.531 -6.769 -3.402 522 HB3 LYS 29 HB2 LYS 29 -18.829 -7.324 -4.444 523 HG2 LYS 29 HG3 LYS 29 -16.141 -6.366 -5.396 524 HG3 LYS 29 HG2 LYS 29 -16.622 -8.055 -5.217 525 HD2 LYS 29 HD3 LYS 29 -18.432 -7.690 -6.839 526 HD3 LYS 29 HD2 LYS 29 -17.896 -6.023 -7.047 527 HE2 LYS 29 HE3 LYS 29 -15.743 -6.809 -7.873 528 HE3 LYS 29 HE2 LYS 29 -16.248 -8.479 -7.626 529 HZ1 LYS 29 HZ1 LYS 29 -16.503 -7.850 -9.925 530 HZ2 LYS 29 HZ2 LYS 29 -17.485 -6.543 -9.502 531 HZ3 LYS 29 HZ3 LYS 29 -18.024 -8.122 -9.243 532 H LEU 30 H LEU 30 -18.356 -4.487 -2.096 533 HA LEU 30 HA LEU 30 -21.007 -5.094 -1.282 534 HB2 LEU 30 HB3 LEU 30 -18.688 -3.676 -0.080 535 HB3 LEU 30 HB2 LEU 30 -20.267 -3.367 0.612 536 HG LEU 30 HG LEU 30 -20.540 -5.775 1.056 537 HD11 LEU 30 HD11 LEU 30 -17.711 -6.009 0.054 538 HD12 LEU 30 HD12 LEU 30 -19.149 -6.651 -0.739 539 HD13 LEU 30 HD13 LEU 30 -18.648 -7.287 0.826 540 HD21 LEU 30 HD21 LEU 30 -18.012 -4.558 2.154 541 HD22 LEU 30 HD22 LEU 30 -18.864 -5.937 2.846 542 HD23 LEU 30 HD23 LEU 30 -19.642 -4.357 2.795 543 H VAL 31 H VAL 31 -19.448 -2.226 -2.553 544 HA VAL 31 HA VAL 31 -21.761 -0.554 -2.142 545 HB VAL 31 HB VAL 31 -19.358 -0.037 -3.921 546 HG11 VAL 31 HG11 VAL 31 -21.305 1.343 -4.463 547 HG12 VAL 31 HG12 VAL 31 -20.001 2.301 -3.763 548 HG13 VAL 31 HG13 VAL 31 -21.400 1.867 -2.781 549 HG21 VAL 31 HG21 VAL 31 -18.682 -0.384 -1.604 550 HG22 VAL 31 HG22 VAL 31 -19.855 0.823 -1.076 551 HG23 VAL 31 HG23 VAL 31 -18.487 1.303 -2.083 552 H GLY 32 H GLY 32 -20.540 -2.675 -4.608 553 HA2 GLY 32 HA3 GLY 32 -22.210 -1.623 -6.711 554 HA3 GLY 32 HA2 GLY 32 -21.224 -3.076 -6.784 555 H GLU 33 H GLU 33 -22.120 -4.679 -4.898 556 HA GLU 33 HA GLU 33 -23.700 -6.216 -4.400 557 HB2 GLU 33 HB3 GLU 33 -24.701 -4.226 -3.270 558 HB3 GLU 33 HB2 GLU 33 -25.652 -3.927 -4.716 559 HG2 GLU 33 HG3 GLU 33 -26.986 -5.035 -3.040 560 HG3 GLU 33 HG2 GLU 33 -26.757 -6.093 -4.431 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 24.780 1.771 -2.663 2 H2 GLY 1 H2 GLY 1 24.200 2.970 -1.623 3 H3 GLY 1 H3 GLY 1 25.860 2.826 -1.902 4 HA2 GLY 1 HA2 GLY 1 24.982 4.690 -3.131 5 HA3 GLY 1 HA3 GLY 1 25.558 3.434 -4.215 6 H SER 2 H SER 2 23.815 5.315 -5.127 7 HA SER 2 HA SER 2 21.871 5.557 -6.317 8 HB2 SER 2 HB3 SER 2 22.534 3.276 -7.158 9 HB3 SER 2 HB2 SER 2 21.512 2.573 -5.905 10 HG SER 2 HG SER 2 20.580 4.398 -7.876 11 H MET 3 H MET 3 21.874 6.039 -3.551 12 HA MET 3 HA MET 3 19.622 4.831 -2.289 13 HB2 MET 3 HB3 MET 3 21.618 6.875 -1.587 14 HB3 MET 3 HB2 MET 3 20.050 7.065 -0.811 15 HG2 MET 3 HG3 MET 3 21.541 5.788 0.593 16 HG3 MET 3 HG2 MET 3 20.196 4.788 0.051 17 HE1 MET 3 HE1 MET 3 22.708 3.486 1.368 18 HE2 MET 3 HE2 MET 3 23.029 2.147 0.268 19 HE3 MET 3 HE3 MET 3 21.368 2.552 0.703 20 H LYS 4 H LYS 4 20.050 7.575 -4.350 21 HA LYS 4 HA LYS 4 17.641 8.926 -3.704 22 HB2 LYS 4 HB3 LYS 4 19.301 8.873 -6.226 23 HB3 LYS 4 HB2 LYS 4 17.867 9.870 -6.051 24 HG2 LYS 4 HG3 LYS 4 20.277 10.047 -4.255 25 HG3 LYS 4 HG2 LYS 4 19.998 11.074 -5.660 26 HD2 LYS 4 HD3 LYS 4 17.890 11.851 -4.636 27 HD3 LYS 4 HD2 LYS 4 18.244 10.870 -3.213 28 HE2 LYS 4 HE3 LYS 4 19.948 13.126 -4.266 29 HE3 LYS 4 HE2 LYS 4 18.865 13.220 -2.878 30 HZ1 LYS 4 HZ1 LYS 4 21.137 12.869 -2.181 31 HZ2 LYS 4 HZ2 LYS 4 21.246 11.463 -3.111 32 HZ3 LYS 4 HZ3 LYS 4 20.198 11.521 -1.786 33 H GLN 5 H GLN 5 18.463 6.435 -6.069 34 HA GLN 5 HA GLN 5 15.802 6.197 -7.084 35 HB2 GLN 5 HB3 GLN 5 18.164 4.317 -7.263 36 HB3 GLN 5 HB2 GLN 5 16.647 4.081 -8.110 37 HG2 GLN 5 HG3 GLN 5 18.100 4.976 -9.698 38 HG3 GLN 5 HG2 GLN 5 17.079 6.324 -9.211 39 HE21 GLN 5 HE21 GLN 5 17.991 8.075 -8.216 40 HE22 GLN 5 HE22 GLN 5 19.698 8.275 -8.017 41 H LEU 6 H LEU 6 17.699 4.682 -4.582 42 HA LEU 6 HA LEU 6 16.020 2.473 -4.078 43 HB2 LEU 6 HB3 LEU 6 18.375 2.633 -3.357 44 HB3 LEU 6 HB2 LEU 6 17.932 3.876 -2.209 45 HG LEU 6 HG LEU 6 16.475 2.212 -1.052 46 HD11 LEU 6 HD11 LEU 6 16.782 -0.151 -1.538 47 HD12 LEU 6 HD12 LEU 6 17.845 0.249 -2.887 48 HD13 LEU 6 HD13 LEU 6 16.139 0.693 -2.947 49 HD21 LEU 6 HD21 LEU 6 19.399 1.520 -1.312 50 HD22 LEU 6 HD22 LEU 6 18.340 1.022 0.006 51 HD23 LEU 6 HD23 LEU 6 18.704 2.731 -0.234 52 H GLU 7 H GLU 7 16.145 5.742 -2.664 53 HA GLU 7 HA GLU 7 14.152 5.196 -0.709 54 HB2 GLU 7 HB3 GLU 7 14.085 7.585 -0.318 55 HB3 GLU 7 HB2 GLU 7 15.755 7.066 -0.490 56 HG2 GLU 7 HG3 GLU 7 15.792 7.908 -2.773 57 HG3 GLU 7 HG2 GLU 7 14.107 8.403 -2.626 58 H ASP 8 H ASP 8 14.080 6.175 -4.048 59 HA ASP 8 HA ASP 8 11.369 7.017 -4.114 60 HB2 ASP 8 HB3 ASP 8 13.415 6.316 -6.150 61 HB3 ASP 8 HB2 ASP 8 11.730 6.242 -6.653 62 H LYS 9 H LYS 9 12.896 3.914 -4.114 63 HA LYS 9 HA LYS 9 10.713 2.404 -5.138 64 HB2 LYS 9 HB3 LYS 9 12.906 1.576 -3.223 65 HB3 LYS 9 HB2 LYS 9 11.805 0.475 -4.034 66 HG2 LYS 9 HG3 LYS 9 13.794 2.267 -5.409 67 HG3 LYS 9 HG2 LYS 9 14.021 0.550 -5.078 68 HD2 LYS 9 HD3 LYS 9 13.152 0.233 -7.119 69 HD3 LYS 9 HD2 LYS 9 11.600 0.585 -6.357 70 HE2 LYS 9 HE3 LYS 9 11.886 1.910 -8.375 71 HE3 LYS 9 HE2 LYS 9 11.851 2.948 -6.951 72 HZ1 LYS 9 HZ1 LYS 9 14.324 2.040 -8.316 73 HZ2 LYS 9 HZ2 LYS 9 14.231 3.136 -7.031 74 HZ3 LYS 9 HZ3 LYS 9 13.602 3.551 -8.545 75 H VAL 10 H VAL 10 11.888 2.909 -1.834 76 HA VAL 10 HA VAL 10 9.737 1.604 -0.563 77 HB VAL 10 HB VAL 10 11.631 3.665 0.579 78 HG11 VAL 10 HG11 VAL 10 9.954 1.575 1.962 79 HG12 VAL 10 HG12 VAL 10 9.678 3.317 1.996 80 HG13 VAL 10 HG13 VAL 10 11.126 2.638 2.741 81 HG21 VAL 10 HG21 VAL 10 12.829 1.802 -0.421 82 HG22 VAL 10 HG22 VAL 10 11.841 0.658 0.486 83 HG23 VAL 10 HG23 VAL 10 12.945 1.738 1.338 84 H GLU 11 H GLU 11 10.431 5.053 -1.085 85 HA GLU 11 HA GLU 11 8.226 6.038 0.361 86 HB2 GLU 11 HB3 GLU 11 10.257 7.340 -0.395 87 HB3 GLU 11 HB2 GLU 11 9.541 7.387 -1.999 88 HG2 GLU 11 HG3 GLU 11 9.089 9.450 -0.871 89 HG3 GLU 11 HG2 GLU 11 7.583 8.553 -1.055 90 H GLU 12 H GLU 12 8.578 5.009 -2.991 91 HA GLU 12 HA GLU 12 6.130 6.014 -3.942 92 HB2 GLU 12 HB3 GLU 12 7.937 5.132 -5.399 93 HB3 GLU 12 HB2 GLU 12 7.525 3.504 -4.873 94 HG2 GLU 12 HG3 GLU 12 5.320 3.709 -5.842 95 HG3 GLU 12 HG2 GLU 12 5.651 5.380 -6.296 96 H LEU 13 H LEU 13 6.866 2.678 -2.851 97 HA LEU 13 HA LEU 13 4.186 1.833 -2.913 98 HB2 LEU 13 HB3 LEU 13 6.499 0.757 -1.310 99 HB3 LEU 13 HB2 LEU 13 4.963 -0.065 -1.549 100 HG LEU 13 HG LEU 13 6.213 0.815 -4.028 101 HD11 LEU 13 HD11 LEU 13 7.910 -0.982 -4.033 102 HD12 LEU 13 HD12 LEU 13 7.558 -1.301 -2.333 103 HD13 LEU 13 HD13 LEU 13 8.251 0.247 -2.816 104 HD21 LEU 13 HD21 LEU 13 5.548 -1.377 -4.768 105 HD22 LEU 13 HD22 LEU 13 4.230 -0.656 -3.842 106 HD23 LEU 13 HD23 LEU 13 5.256 -1.885 -3.109 107 H LEU 14 H LEU 14 6.097 3.280 -0.324 108 HA LEU 14 HA LEU 14 4.253 3.120 1.744 109 HB2 LEU 14 HB3 LEU 14 6.554 3.938 1.977 110 HB3 LEU 14 HB2 LEU 14 6.171 5.352 1.030 111 HG LEU 14 HG LEU 14 6.380 5.683 3.509 112 HD11 LEU 14 HD11 LEU 14 3.778 6.490 2.244 113 HD12 LEU 14 HD12 LEU 14 5.321 7.335 2.102 114 HD13 LEU 14 HD13 LEU 14 4.512 7.232 3.667 115 HD21 LEU 14 HD21 LEU 14 3.700 4.315 3.580 116 HD22 LEU 14 HD22 LEU 14 4.518 5.094 4.933 117 HD23 LEU 14 HD23 LEU 14 5.206 3.643 4.205 118 H SER 15 H SER 15 4.488 5.384 -0.940 119 HA SER 15 HA SER 15 2.166 6.872 -0.248 120 HB2 SER 15 HB3 SER 15 3.438 6.554 -2.975 121 HB3 SER 15 HB2 SER 15 2.345 7.840 -2.467 122 HG SER 15 HG SER 15 4.952 7.319 -1.448 123 H LYS 16 H LYS 16 2.785 4.028 -2.319 124 HA LYS 16 HA LYS 16 0.260 3.925 -3.528 125 HB2 LYS 16 HB3 LYS 16 2.189 1.708 -2.853 126 HB3 LYS 16 HB2 LYS 16 0.744 1.478 -3.828 127 HG2 LYS 16 HG3 LYS 16 1.580 3.065 -5.475 128 HG3 LYS 16 HG2 LYS 16 3.017 3.343 -4.493 129 HD2 LYS 16 HD3 LYS 16 3.511 1.803 -6.307 130 HD3 LYS 16 HD2 LYS 16 3.636 0.981 -4.753 131 HE2 LYS 16 HE3 LYS 16 2.505 -0.436 -6.360 132 HE3 LYS 16 HE2 LYS 16 1.391 0.041 -5.084 133 HZ1 LYS 16 HZ1 LYS 16 1.549 1.235 -7.798 134 HZ2 LYS 16 HZ2 LYS 16 0.506 1.745 -6.571 135 HZ3 LYS 16 HZ3 LYS 16 0.339 0.199 -7.229 136 H ASN 17 H ASN 17 1.357 2.243 -0.547 137 HA ASN 17 HA ASN 17 -1.208 1.100 -0.088 138 HB2 ASN 17 HB3 ASN 17 -0.397 0.359 2.031 139 HB3 ASN 17 HB2 ASN 17 0.935 0.214 0.895 140 HD21 ASN 17 HD21 ASN 17 -0.320 1.950 3.646 141 HD22 ASN 17 HD22 ASN 17 1.166 2.722 4.075 142 H TYR 18 H TYR 18 0.241 4.147 0.729 143 HA TYR 18 HA TYR 18 -1.600 4.960 2.715 144 HB2 TYR 18 HB3 TYR 18 0.573 6.078 2.323 145 HB3 TYR 18 HB2 TYR 18 -0.009 6.651 0.767 146 HD1 TYR 18 HD1 TYR 18 -0.451 6.958 4.423 147 HD2 TYR 18 HD2 TYR 18 -1.357 8.602 0.608 148 HE1 TYR 18 HE1 TYR 18 -1.301 8.992 5.508 149 HE2 TYR 18 HE2 TYR 18 -2.213 10.639 1.683 150 HH TYR 18 HH TYR 18 -3.165 11.278 3.917 151 H HIS 19 H HIS 19 -1.490 5.397 -0.793 152 HA HIS 19 HA HIS 19 -3.872 6.908 -0.995 153 HB2 HIS 19 HB3 HIS 19 -2.202 5.355 -2.937 154 HB3 HIS 19 HB2 HIS 19 -3.787 5.937 -3.431 155 HD1 HIS 19 HD1 HIS 19 -3.917 8.296 -4.212 156 HD2 HIS 19 HD2 HIS 19 -0.414 7.522 -2.116 157 HE1 HIS 19 HE1 HIS 19 -2.525 10.376 -4.429 158 HE2 HIS 19 HE2 HIS 19 -0.360 9.835 -3.262 159 H LEU 20 H LEU 20 -3.212 3.440 -1.372 160 HA LEU 20 HA LEU 20 -5.887 2.760 -1.987 161 HB2 LEU 20 HB3 LEU 20 -3.462 1.228 -1.187 162 HB3 LEU 20 HB2 LEU 20 -5.019 0.433 -1.079 163 HG LEU 20 HG LEU 20 -3.884 -0.081 -3.188 164 HD11 LEU 20 HD11 LEU 20 -6.321 1.646 -3.581 165 HD12 LEU 20 HD12 LEU 20 -6.328 -0.050 -3.105 166 HD13 LEU 20 HD13 LEU 20 -5.719 0.417 -4.693 167 HD21 LEU 20 HD21 LEU 20 -4.109 2.872 -3.729 168 HD22 LEU 20 HD22 LEU 20 -3.624 1.646 -4.899 169 HD23 LEU 20 HD23 LEU 20 -2.616 1.964 -3.486 170 H GLU 21 H GLU 21 -4.125 3.007 1.064 171 HA GLU 21 HA GLU 21 -6.062 1.865 2.740 172 HB2 GLU 21 HB3 GLU 21 -3.688 2.634 3.327 173 HB3 GLU 21 HB2 GLU 21 -4.366 4.247 3.487 174 HG2 GLU 21 HG3 GLU 21 -5.365 1.881 5.042 175 HG3 GLU 21 HG2 GLU 21 -4.081 2.937 5.616 176 H ASN 22 H ASN 22 -5.612 5.217 1.697 177 HA ASN 22 HA ASN 22 -7.890 6.246 3.010 178 HB2 ASN 22 HB3 ASN 22 -6.141 7.236 0.790 179 HB3 ASN 22 HB2 ASN 22 -7.633 8.088 1.171 180 HD21 ASN 22 HD21 ASN 22 -4.463 7.204 2.301 181 HD22 ASN 22 HD22 ASN 22 -4.417 8.310 3.634 182 H GLU 23 H GLU 23 -7.494 4.493 0.072 183 HA GLU 23 HA GLU 23 -10.027 5.313 -1.034 184 HB2 GLU 23 HB3 GLU 23 -8.024 4.699 -2.427 185 HB3 GLU 23 HB2 GLU 23 -8.265 3.015 -1.914 186 HG2 GLU 23 HG3 GLU 23 -10.365 2.904 -3.020 187 HG3 GLU 23 HG2 GLU 23 -10.365 4.640 -3.333 188 H VAL 24 H VAL 24 -8.734 2.587 0.787 189 HA VAL 24 HA VAL 24 -11.037 0.963 0.708 190 HB VAL 24 HB VAL 24 -8.956 1.208 2.905 191 HG11 VAL 24 HG11 VAL 24 -11.086 0.273 3.733 192 HG12 VAL 24 HG12 VAL 24 -9.779 -0.911 3.743 193 HG13 VAL 24 HG13 VAL 24 -11.010 -0.967 2.477 194 HG21 VAL 24 HG21 VAL 24 -8.012 0.446 0.814 195 HG22 VAL 24 HG22 VAL 24 -9.276 -0.773 0.659 196 HG23 VAL 24 HG23 VAL 24 -8.093 -0.892 1.961 197 H ALA 25 H ALA 25 -10.021 3.567 2.857 198 HA ALA 25 HA ALA 25 -12.059 3.337 4.758 199 HB1 ALA 25 HB1 ALA 25 -10.007 4.679 5.050 200 HB2 ALA 25 HB2 ALA 25 -11.477 5.564 5.456 201 HB3 ALA 25 HB3 ALA 25 -10.661 5.869 3.924 202 H ARG 26 H ARG 26 -11.953 5.157 1.718 203 HA ARG 26 HA ARG 26 -14.310 6.620 2.154 204 HB2 ARG 26 HB3 ARG 26 -14.148 7.333 -0.054 205 HB3 ARG 26 HB2 ARG 26 -12.498 6.945 0.369 206 HG2 ARG 26 HG3 ARG 26 -12.632 4.852 -0.851 207 HG3 ARG 26 HG2 ARG 26 -14.324 5.188 -1.241 208 HD2 ARG 26 HD2 ARG 26 -12.663 5.736 -3.050 209 HD3 ARG 26 HD1 ARG 26 -13.752 7.041 -2.586 210 HE ARG 26 HE ARG 26 -10.920 6.845 -1.775 211 HH11 ARG 26 HH11 ARG 26 -13.784 8.730 -2.478 212 HH12 ARG 26 HH12 ARG 26 -12.979 10.255 -2.305 213 HH21 ARG 26 HH21 ARG 26 -9.858 8.865 -1.545 214 HH22 ARG 26 HH22 ARG 26 -10.755 10.333 -1.773 215 H LEU 27 H LEU 27 -13.731 3.529 0.587 216 HA LEU 27 HA LEU 27 -16.459 3.057 -0.085 217 HB2 LEU 27 HB3 LEU 27 -14.196 1.102 0.263 218 HB3 LEU 27 HB2 LEU 27 -15.756 0.746 -0.441 219 HG LEU 27 HG LEU 27 -14.061 2.886 -1.619 220 HD11 LEU 27 HD11 LEU 27 -12.676 0.879 -1.400 221 HD12 LEU 27 HD12 LEU 27 -13.037 1.278 -3.080 222 HD13 LEU 27 HD13 LEU 27 -13.901 -0.034 -2.279 223 HD21 LEU 27 HD21 LEU 27 -16.365 2.724 -2.365 224 HD22 LEU 27 HD22 LEU 27 -16.146 1.006 -2.707 225 HD23 LEU 27 HD23 LEU 27 -15.273 2.213 -3.653 226 H LYS 28 H LYS 28 -14.443 2.112 2.660 227 HA LYS 28 HA LYS 28 -16.122 0.432 4.023 228 HB2 LYS 28 HB3 LYS 28 -13.856 1.020 4.769 229 HB3 LYS 28 HB2 LYS 28 -14.415 2.627 5.212 230 HG2 LYS 28 HG3 LYS 28 -14.217 1.256 7.178 231 HG3 LYS 28 HG2 LYS 28 -15.916 1.623 6.880 232 HD2 LYS 28 HD3 LYS 28 -16.177 -0.585 5.812 233 HD3 LYS 28 HD2 LYS 28 -14.494 -0.948 6.193 234 HE2 LYS 28 HE3 LYS 28 -14.986 -0.712 8.577 235 HE3 LYS 28 HE2 LYS 28 -16.667 -0.344 8.195 236 HZ1 LYS 28 HZ1 LYS 28 -15.263 -2.897 7.637 237 HZ2 LYS 28 HZ2 LYS 28 -16.852 -2.549 7.180 238 HZ3 LYS 28 HZ3 LYS 28 -16.445 -2.642 8.816 239 H LYS 29 H LYS 29 -16.221 3.989 4.038 240 HA LYS 29 HA LYS 29 -18.464 4.066 5.827 241 HB2 LYS 29 HB3 LYS 29 -16.809 6.060 4.412 242 HB3 LYS 29 HB2 LYS 29 -18.475 6.531 4.714 243 HG2 LYS 29 HG3 LYS 29 -17.066 7.328 6.493 244 HG3 LYS 29 HG2 LYS 29 -18.152 6.087 7.111 245 HD2 LYS 29 HD3 LYS 29 -16.069 5.604 8.075 246 HD3 LYS 29 HD2 LYS 29 -16.225 4.456 6.745 247 HE2 LYS 29 HE3 LYS 29 -13.985 5.402 6.806 248 HE3 LYS 29 HE2 LYS 29 -14.830 5.895 5.340 249 HZ1 LYS 29 HZ1 LYS 29 -14.554 7.564 7.781 250 HZ2 LYS 29 HZ2 LYS 29 -15.262 8.035 6.321 251 HZ3 LYS 29 HZ3 LYS 29 -13.604 7.722 6.390 252 H LEU 30 H LEU 30 -18.045 3.933 2.377 253 HA LEU 30 HA LEU 30 -20.676 4.794 1.695 254 HB2 LEU 30 HB3 LEU 30 -18.376 3.610 0.282 255 HB3 LEU 30 HB2 LEU 30 -19.943 3.265 -0.420 256 HG LEU 30 HG LEU 30 -20.394 5.614 -0.734 257 HD11 LEU 30 HD11 LEU 30 -18.743 7.337 -0.169 258 HD12 LEU 30 HD12 LEU 30 -17.758 6.116 0.639 259 HD13 LEU 30 HD13 LEU 30 -19.356 6.517 1.267 260 HD21 LEU 30 HD21 LEU 30 -17.606 4.900 -1.630 261 HD22 LEU 30 HD22 LEU 30 -18.601 6.192 -2.302 262 HD23 LEU 30 HD23 LEU 30 -19.107 4.512 -2.470 263 H VAL 31 H VAL 31 -19.214 1.658 2.373 264 HA VAL 31 HA VAL 31 -21.605 0.191 1.728 265 HB VAL 31 HB VAL 31 -19.258 -0.763 3.389 266 HG11 VAL 31 HG11 VAL 31 -21.293 -2.137 3.549 267 HG12 VAL 31 HG12 VAL 31 -19.972 -2.987 2.748 268 HG13 VAL 31 HG13 VAL 31 -21.293 -2.315 1.793 269 HG21 VAL 31 HG21 VAL 31 -19.677 -0.970 0.411 270 HG22 VAL 31 HG22 VAL 31 -18.376 -1.732 1.326 271 HG23 VAL 31 HG23 VAL 31 -18.470 0.026 1.222 272 H GLY 32 H GLY 32 -20.306 1.815 4.494 273 HA2 GLY 32 HA3 GLY 32 -22.037 0.469 6.385 274 HA3 GLY 32 HA2 GLY 32 -20.935 1.795 6.733 275 H GLU 33 H GLU 33 -21.695 3.808 5.195 276 HA GLU 33 HA GLU 33 -23.131 5.549 5.068 277 HB2 GLU 33 HB3 GLU 33 -24.491 3.972 3.723 278 HB3 GLU 33 HB2 GLU 33 -25.306 3.449 5.189 279 HG2 GLU 33 HG3 GLU 33 -26.690 5.009 3.985 280 HG3 GLU 33 HG2 GLU 33 -26.166 5.722 5.509 281 H1 GLY 1 H1 GLY 1 24.790 -1.931 2.012 282 H2 GLY 1 H2 GLY 1 24.201 -3.110 0.955 283 H3 GLY 1 H3 GLY 1 25.865 -2.976 1.230 284 HA2 GLY 1 HA2 GLY 1 24.985 -4.857 2.431 285 HA3 GLY 1 HA3 GLY 1 25.570 -3.619 3.533 286 H SER 2 H SER 2 23.828 -5.511 4.425 287 HA SER 2 HA SER 2 21.891 -5.766 5.624 288 HB2 SER 2 HB3 SER 2 22.554 -3.493 6.487 289 HB3 SER 2 HB2 SER 2 21.521 -2.779 5.255 290 HG SER 2 HG SER 2 20.599 -4.644 7.190 291 H MET 3 H MET 3 21.880 -6.216 2.850 292 HA MET 3 HA MET 3 19.620 -4.992 1.614 293 HB2 MET 3 HB3 MET 3 21.613 -7.028 0.874 294 HB3 MET 3 HB2 MET 3 20.043 -7.206 0.104 295 HG2 MET 3 HG3 MET 3 21.527 -5.910 -1.288 296 HG3 MET 3 HG2 MET 3 20.187 -4.915 -0.729 297 HE1 MET 3 HE1 MET 3 22.704 -3.600 -2.036 298 HE2 MET 3 HE2 MET 3 23.021 -2.275 -0.918 299 HE3 MET 3 HE3 MET 3 21.362 -2.678 -1.358 300 H LYS 4 H LYS 4 20.056 -7.756 3.644 301 HA LYS 4 HA LYS 4 17.647 -9.105 2.985 302 HB2 LYS 4 HB3 LYS 4 19.310 -9.081 5.505 303 HB3 LYS 4 HB2 LYS 4 17.877 -10.077 5.318 304 HG2 LYS 4 HG3 LYS 4 20.287 -10.229 3.525 305 HG3 LYS 4 HG2 LYS 4 20.006 -11.276 4.914 306 HD2 LYS 4 HD3 LYS 4 17.907 -12.044 3.876 307 HD3 LYS 4 HD2 LYS 4 18.252 -11.035 2.470 308 HE2 LYS 4 HE3 LYS 4 19.965 -13.301 3.481 309 HE3 LYS 4 HE2 LYS 4 18.884 -13.373 2.091 310 HZ1 LYS 4 HZ1 LYS 4 21.156 -13.004 1.395 311 HZ2 LYS 4 HZ2 LYS 4 21.268 -11.619 2.357 312 HZ3 LYS 4 HZ3 LYS 4 20.219 -11.645 1.032 313 H GLN 5 H GLN 5 18.478 -6.638 5.373 314 HA GLN 5 HA GLN 5 15.820 -6.420 6.402 315 HB2 GLN 5 HB3 GLN 5 18.179 -4.541 6.596 316 HB3 GLN 5 HB2 GLN 5 16.666 -4.314 7.451 317 HG2 GLN 5 HG3 GLN 5 18.130 -5.222 9.023 318 HG3 GLN 5 HG2 GLN 5 17.105 -6.568 8.529 319 HE21 GLN 5 HE21 GLN 5 18.011 -8.307 7.506 320 HE22 GLN 5 HE22 GLN 5 19.717 -8.497 7.288 321 H LEU 6 H LEU 6 17.711 -4.862 3.919 322 HA LEU 6 HA LEU 6 16.025 -2.654 3.442 323 HB2 LEU 6 HB3 LEU 6 18.378 -2.806 2.713 324 HB3 LEU 6 HB2 LEU 6 17.931 -4.035 1.552 325 HG LEU 6 HG LEU 6 16.472 -2.358 0.417 326 HD11 LEU 6 HD11 LEU 6 16.781 -0.002 0.927 327 HD12 LEU 6 HD12 LEU 6 17.849 -0.415 2.267 328 HD13 LEU 6 HD13 LEU 6 16.143 -0.859 2.329 329 HD21 LEU 6 HD21 LEU 6 19.396 -1.669 0.676 330 HD22 LEU 6 HD22 LEU 6 18.332 -1.158 -0.634 331 HD23 LEU 6 HD23 LEU 6 18.699 -2.868 -0.413 332 H GLU 7 H GLU 7 16.152 -5.906 1.985 333 HA GLU 7 HA GLU 7 14.152 -5.337 0.045 334 HB2 GLU 7 HB3 GLU 7 14.082 -7.721 -0.371 335 HB3 GLU 7 HB2 GLU 7 15.751 -7.205 -0.198 336 HG2 GLU 7 HG3 GLU 7 15.799 -8.072 2.071 337 HG3 GLU 7 HG2 GLU 7 14.111 -8.560 1.929 338 H ASP 8 H ASP 8 14.085 -6.349 3.371 339 HA ASP 8 HA ASP 8 11.377 -7.203 3.433 340 HB2 ASP 8 HB3 ASP 8 13.431 -6.529 5.471 341 HB3 ASP 8 HB2 ASP 8 11.748 -6.463 5.983 342 H LYS 9 H LYS 9 12.902 -4.098 3.473 343 HA LYS 9 HA LYS 9 10.720 -2.602 4.519 344 HB2 LYS 9 HB3 LYS 9 12.909 -1.749 2.610 345 HB3 LYS 9 HB2 LYS 9 11.810 -0.658 3.436 346 HG2 LYS 9 HG3 LYS 9 13.805 -2.464 4.784 347 HG3 LYS 9 HG2 LYS 9 14.029 -0.742 4.470 348 HD2 LYS 9 HD3 LYS 9 13.173 -0.448 6.521 349 HD3 LYS 9 HD2 LYS 9 11.616 -0.789 5.763 350 HE2 LYS 9 HE3 LYS 9 11.910 -2.143 7.760 351 HE3 LYS 9 HE2 LYS 9 11.872 -3.161 6.320 352 HZ1 LYS 9 HZ1 LYS 9 14.352 -2.265 7.680 353 HZ2 LYS 9 HZ2 LYS 9 14.246 -3.358 6.393 354 HZ3 LYS 9 HZ3 LYS 9 13.627 -3.774 7.909 355 H VAL 10 H VAL 10 11.888 -3.069 1.207 356 HA VAL 10 HA VAL 10 9.732 -1.749 -0.039 357 HB VAL 10 HB VAL 10 11.624 -3.791 -1.215 358 HG11 VAL 10 HG11 VAL 10 9.938 -1.688 -2.567 359 HG12 VAL 10 HG12 VAL 10 9.664 -3.431 -2.620 360 HG13 VAL 10 HG13 VAL 10 11.108 -2.741 -3.362 361 HG21 VAL 10 HG21 VAL 10 12.820 -1.942 -0.194 362 HG22 VAL 10 HG22 VAL 10 11.828 -0.787 -1.085 363 HG23 VAL 10 HG23 VAL 10 12.931 -1.855 -1.953 364 H GLU 11 H GLU 11 10.430 -5.203 0.440 365 HA GLU 11 HA GLU 11 8.223 -6.173 -1.011 366 HB2 GLU 11 HB3 GLU 11 10.257 -7.481 -0.274 367 HB3 GLU 11 HB2 GLU 11 9.545 -7.545 1.332 368 HG2 GLU 11 HG3 GLU 11 9.093 -9.596 0.183 369 HG3 GLU 11 HG2 GLU 11 7.587 -8.703 0.383 370 H GLU 12 H GLU 12 8.583 -5.186 2.356 371 HA GLU 12 HA GLU 12 6.139 -6.204 3.305 372 HB2 GLU 12 HB3 GLU 12 7.951 -5.328 4.762 373 HB3 GLU 12 HB2 GLU 12 7.532 -3.699 4.251 374 HG2 GLU 12 HG3 GLU 12 5.335 -3.916 5.230 375 HG3 GLU 12 HG2 GLU 12 5.669 -5.592 5.665 376 H LEU 13 H LEU 13 6.868 -2.854 2.250 377 HA LEU 13 HA LEU 13 4.191 -2.008 2.330 378 HB2 LEU 13 HB3 LEU 13 6.498 -0.913 0.732 379 HB3 LEU 13 HB2 LEU 13 4.964 -0.095 0.987 380 HG LEU 13 HG LEU 13 6.221 -1.004 3.451 381 HD11 LEU 13 HD11 LEU 13 7.917 0.794 3.471 382 HD12 LEU 13 HD12 LEU 13 7.557 1.134 1.778 383 HD13 LEU 13 HD13 LEU 13 8.255 -0.420 2.237 384 HD21 LEU 13 HD21 LEU 13 5.554 1.181 4.219 385 HD22 LEU 13 HD22 LEU 13 4.236 0.468 3.288 386 HD23 LEU 13 HD23 LEU 13 5.256 1.710 2.566 387 H LEU 14 H LEU 14 6.091 -3.425 -0.282 388 HA LEU 14 HA LEU 14 4.239 -3.242 -2.343 389 HB2 LEU 14 HB3 LEU 14 6.539 -4.060 -2.596 390 HB3 LEU 14 HB2 LEU 14 6.160 -5.483 -1.663 391 HG LEU 14 HG LEU 14 6.358 -5.785 -4.147 392 HD11 LEU 14 HD11 LEU 14 3.761 -6.611 -2.884 393 HD12 LEU 14 HD12 LEU 14 5.303 -7.458 -2.753 394 HD13 LEU 14 HD13 LEU 14 4.493 -7.336 -4.316 395 HD21 LEU 14 HD21 LEU 14 3.677 -4.417 -4.187 396 HD22 LEU 14 HD22 LEU 14 4.490 -5.178 -5.553 397 HD23 LEU 14 HD23 LEU 14 5.181 -3.738 -4.810 398 H SER 15 H SER 15 4.485 -5.540 0.313 399 HA SER 15 HA SER 15 2.158 -7.012 -0.390 400 HB2 SER 15 HB3 SER 15 3.453 -6.733 2.330 401 HB3 SER 15 HB2 SER 15 2.350 -8.011 1.814 402 HG SER 15 HG SER 15 4.965 -7.481 0.826 403 H LYS 16 H LYS 16 2.788 -4.195 1.711 404 HA LYS 16 HA LYS 16 0.268 -4.106 2.935 405 HB2 LYS 16 HB3 LYS 16 2.193 -1.881 2.278 406 HB3 LYS 16 HB2 LYS 16 0.752 -1.664 3.259 407 HG2 LYS 16 HG3 LYS 16 1.593 -3.267 4.884 408 HG3 LYS 16 HG2 LYS 16 3.026 -3.534 3.894 409 HD2 LYS 16 HD3 LYS 16 3.530 -2.017 5.720 410 HD3 LYS 16 HD2 LYS 16 3.642 -1.174 4.178 411 HE2 LYS 16 HE3 LYS 16 2.521 0.218 5.812 412 HE3 LYS 16 HE2 LYS 16 1.396 -0.246 4.539 413 HZ1 LYS 16 HZ1 LYS 16 1.579 -1.474 7.237 414 HZ2 LYS 16 HZ2 LYS 16 0.524 -1.972 6.014 415 HZ3 LYS 16 HZ3 LYS 16 0.358 -0.433 6.693 416 H ASN 17 H ASN 17 1.353 -2.394 -0.034 417 HA ASN 17 HA ASN 17 -1.215 -1.246 -0.466 418 HB2 ASN 17 HB3 ASN 17 -0.412 -0.478 -2.580 419 HB3 ASN 17 HB2 ASN 17 0.922 -0.344 -1.446 420 HD21 ASN 17 HD21 ASN 17 -0.336 -2.043 -4.213 421 HD22 ASN 17 HD22 ASN 17 1.145 -2.815 -4.655 422 H TYR 18 H TYR 18 0.234 -4.281 -1.329 423 HA TYR 18 HA TYR 18 -1.615 -5.074 -3.315 424 HB2 TYR 18 HB3 TYR 18 0.560 -6.192 -2.947 425 HB3 TYR 18 HB2 TYR 18 -0.012 -6.783 -1.391 426 HD1 TYR 18 HD1 TYR 18 -0.466 -7.053 -5.048 427 HD2 TYR 18 HD2 TYR 18 -1.365 -8.740 -1.248 428 HE1 TYR 18 HE1 TYR 18 -1.327 -9.072 -6.154 429 HE2 TYR 18 HE2 TYR 18 -2.232 -10.763 -2.345 430 HH TYR 18 HH TYR 18 -3.177 -11.396 -4.554 431 H HIS 19 H HIS 19 -1.486 -5.552 0.187 432 HA HIS 19 HA HIS 19 -3.871 -7.061 0.383 433 HB2 HIS 19 HB3 HIS 19 -2.190 -5.540 2.335 434 HB3 HIS 19 HB2 HIS 19 -3.773 -6.122 2.834 435 HD1 HIS 19 HD1 HIS 19 -3.913 -8.505 3.566 436 HD2 HIS 19 HD2 HIS 19 -0.413 -7.690 1.482 437 HE1 HIS 19 HE1 HIS 19 -2.506 -10.577 3.772 438 HE2 HIS 19 HE2 HIS 19 -0.348 -10.020 2.590 439 H LEU 20 H LEU 20 -3.211 -3.597 0.785 440 HA LEU 20 HA LEU 20 -5.886 -2.930 1.430 441 HB2 LEU 20 HB3 LEU 20 -3.466 -1.387 0.638 442 HB3 LEU 20 HB2 LEU 20 -5.023 -0.590 0.544 443 HG LEU 20 HG LEU 20 -3.876 -0.103 2.658 444 HD11 LEU 20 HD11 LEU 20 -6.316 -1.828 3.036 445 HD12 LEU 20 HD12 LEU 20 -6.321 -0.124 2.581 446 HD13 LEU 20 HD13 LEU 20 -5.708 -0.614 4.161 447 HD21 LEU 20 HD21 LEU 20 -4.111 -3.063 3.153 448 HD22 LEU 20 HD22 LEU 20 -3.625 -1.858 4.345 449 HD23 LEU 20 HD23 LEU 20 -2.615 -2.155 2.928 450 H GLU 21 H GLU 21 -4.139 -3.144 -1.632 451 HA GLU 21 HA GLU 21 -6.083 -1.977 -3.288 452 HB2 GLU 21 HB3 GLU 21 -3.708 -2.736 -3.887 453 HB3 GLU 21 HB2 GLU 21 -4.385 -4.345 -4.071 454 HG2 GLU 21 HG3 GLU 21 -5.385 -1.959 -5.593 455 HG3 GLU 21 HG2 GLU 21 -4.101 -3.008 -6.183 456 H ASN 22 H ASN 22 -5.625 -5.342 -2.288 457 HA ASN 22 HA ASN 22 -7.908 -6.359 -3.601 458 HB2 ASN 22 HB3 ASN 22 -6.143 -7.374 -1.406 459 HB3 ASN 22 HB2 ASN 22 -7.636 -8.224 -1.790 460 HD21 ASN 22 HD21 ASN 22 -4.470 -7.323 -2.924 461 HD22 ASN 22 HD22 ASN 22 -4.432 -8.407 -4.276 462 H GLU 23 H GLU 23 -7.504 -4.636 -0.651 463 HA GLU 23 HA GLU 23 -10.029 -5.474 0.462 464 HB2 GLU 23 HB3 GLU 23 -8.019 -4.874 1.855 465 HB3 GLU 23 HB2 GLU 23 -8.263 -3.185 1.359 466 HG2 GLU 23 HG3 GLU 23 -10.359 -3.089 2.477 467 HG3 GLU 23 HG2 GLU 23 -10.355 -4.826 2.772 468 H VAL 24 H VAL 24 -8.741 -2.729 -1.332 469 HA VAL 24 HA VAL 24 -11.045 -1.108 -1.226 470 HB VAL 24 HB VAL 24 -8.975 -1.326 -3.434 471 HG11 VAL 24 HG11 VAL 24 -11.106 -0.386 -4.245 472 HG12 VAL 24 HG12 VAL 24 -9.804 0.803 -4.243 473 HG13 VAL 24 HG13 VAL 24 -11.030 0.837 -2.974 474 HG21 VAL 24 HG21 VAL 24 -8.022 -0.588 -1.338 475 HG22 VAL 24 HG22 VAL 24 -9.287 0.629 -1.163 476 HG23 VAL 24 HG23 VAL 24 -8.108 0.764 -2.468 477 H ALA 25 H ALA 25 -10.037 -3.680 -3.414 478 HA ALA 25 HA ALA 25 -12.082 -3.427 -5.302 479 HB1 ALA 25 HB1 ALA 25 -10.028 -4.761 -5.621 480 HB2 ALA 25 HB2 ALA 25 -11.497 -5.642 -6.038 481 HB3 ALA 25 HB3 ALA 25 -10.677 -5.970 -4.512 482 H ARG 26 H ARG 26 -11.966 -5.280 -2.284 483 HA ARG 26 HA ARG 26 -14.325 -6.743 -2.728 484 HB2 ARG 26 HB3 ARG 26 -14.154 -7.485 -0.530 485 HB3 ARG 26 HB2 ARG 26 -12.505 -7.089 -0.955 486 HG2 ARG 26 HG3 ARG 26 -12.634 -5.008 0.296 487 HG3 ARG 26 HG2 ARG 26 -14.326 -5.354 0.687 488 HD2 ARG 26 HD2 ARG 26 -12.654 -5.920 2.483 489 HD3 ARG 26 HD1 ARG 26 -13.748 -7.217 2.012 490 HE ARG 26 HE ARG 26 -10.913 -7.022 1.200 491 HH11 ARG 26 HH11 ARG 26 -13.787 -8.905 1.881 492 HH12 ARG 26 HH12 ARG 26 -12.997 -10.431 1.659 493 HH21 ARG 26 HH21 ARG 26 -9.861 -9.039 0.937 494 HH22 ARG 26 HH22 ARG 26 -10.761 -10.510 1.129 495 H LEU 27 H LEU 27 -13.741 -3.672 -1.128 496 HA LEU 27 HA LEU 27 -16.465 -3.213 -0.435 497 HB2 LEU 27 HB3 LEU 27 -14.205 -1.250 -0.771 498 HB3 LEU 27 HB2 LEU 27 -15.763 -0.902 -0.055 499 HG LEU 27 HG LEU 27 -14.060 -3.054 1.092 500 HD11 LEU 27 HD11 LEU 27 -12.677 -1.044 0.887 501 HD12 LEU 27 HD12 LEU 27 -13.032 -1.461 2.566 502 HD13 LEU 27 HD13 LEU 27 -13.899 -0.141 1.783 503 HD21 LEU 27 HD21 LEU 27 -16.362 -2.902 1.849 504 HD22 LEU 27 HD22 LEU 27 -16.142 -1.187 2.209 505 HD23 LEU 27 HD23 LEU 27 -15.264 -2.405 3.138 506 H LYS 28 H LYS 28 -14.461 -2.234 -3.178 507 HA LYS 28 HA LYS 28 -16.145 -0.539 -4.516 508 HB2 LYS 28 HB3 LYS 28 -13.884 -1.113 -5.279 509 HB3 LYS 28 HB2 LYS 28 -14.439 -2.716 -5.737 510 HG2 LYS 28 HG3 LYS 28 -14.255 -1.324 -7.692 511 HG3 LYS 28 HG2 LYS 28 -15.953 -1.696 -7.389 512 HD2 LYS 28 HD3 LYS 28 -16.208 0.501 -6.294 513 HD3 LYS 28 HD2 LYS 28 -14.527 0.868 -6.684 514 HE2 LYS 28 HE3 LYS 28 -15.037 0.653 -9.068 515 HE3 LYS 28 HE2 LYS 28 -16.717 0.291 -8.677 516 HZ1 LYS 28 HZ1 LYS 28 -15.292 2.827 -8.097 517 HZ2 LYS 28 HZ2 LYS 28 -16.885 2.486 -7.643 518 HZ3 LYS 28 HZ3 LYS 28 -16.478 2.595 -9.280 519 H LYS 29 H LYS 29 -16.250 -4.097 -4.559 520 HA LYS 29 HA LYS 29 -18.501 -4.132 -6.340 521 HB2 LYS 29 HB3 LYS 29 -16.848 -6.168 -4.968 522 HB3 LYS 29 HB2 LYS 29 -18.513 -6.627 -5.281 523 HG2 LYS 29 HG3 LYS 29 -17.075 -7.408 -7.053 524 HG3 LYS 29 HG2 LYS 29 -18.178 -6.194 -7.682 525 HD2 LYS 29 HD3 LYS 29 -16.105 -5.664 -8.631 526 HD3 LYS 29 HD2 LYS 29 -16.264 -4.533 -7.287 527 HE2 LYS 29 HE3 LYS 29 -14.021 -5.474 -7.368 528 HE3 LYS 29 HE2 LYS 29 -14.861 -5.975 -5.902 529 HZ1 LYS 29 HZ1 LYS 29 -14.580 -7.633 -8.350 530 HZ2 LYS 29 HZ2 LYS 29 -15.297 -8.111 -6.897 531 HZ3 LYS 29 HZ3 LYS 29 -13.640 -7.794 -6.954 532 H LEU 30 H LEU 30 -18.058 -4.065 -2.898 533 HA LEU 30 HA LEU 30 -20.687 -4.921 -2.211 534 HB2 LEU 30 HB3 LEU 30 -18.381 -3.755 -0.799 535 HB3 LEU 30 HB2 LEU 30 -19.945 -3.422 -0.086 536 HG LEU 30 HG LEU 30 -20.392 -5.775 0.196 537 HD11 LEU 30 HD11 LEU 30 -18.738 -7.483 -0.397 538 HD12 LEU 30 HD12 LEU 30 -17.762 -6.252 -1.194 539 HD13 LEU 30 HD13 LEU 30 -19.363 -6.649 -1.818 540 HD21 LEU 30 HD21 LEU 30 -17.603 -5.067 1.092 541 HD22 LEU 30 HD22 LEU 30 -18.596 -6.367 1.752 542 HD23 LEU 30 HD23 LEU 30 -19.102 -4.690 1.940 543 H VAL 31 H VAL 31 -19.224 -1.781 -2.862 544 HA VAL 31 HA VAL 31 -21.612 -0.326 -2.194 545 HB VAL 31 HB VAL 31 -19.275 0.648 -3.858 546 HG11 VAL 31 HG11 VAL 31 -21.314 2.018 -3.998 547 HG12 VAL 31 HG12 VAL 31 -19.995 2.864 -3.193 548 HG13 VAL 31 HG13 VAL 31 -21.311 2.177 -2.242 549 HG21 VAL 31 HG21 VAL 31 -19.690 0.823 -0.877 550 HG22 VAL 31 HG22 VAL 31 -18.389 1.595 -1.783 551 HG23 VAL 31 HG23 VAL 31 -18.485 -0.165 -1.702 552 H GLY 32 H GLY 32 -20.324 -1.911 -4.989 553 HA2 GLY 32 HA3 GLY 32 -22.063 -0.542 -6.854 554 HA3 GLY 32 HA2 GLY 32 -20.961 -1.860 -7.226 555 H GLU 33 H GLU 33 -21.722 -3.895 -5.708 556 HA GLU 33 HA GLU 33 -23.153 -5.638 -5.603 557 HB2 GLU 33 HB3 GLU 33 -24.509 -4.080 -4.232 558 HB3 GLU 33 HB2 GLU 33 -25.334 -3.544 -5.688 559 HG2 GLU 33 HG3 GLU 33 -26.706 -5.121 -4.498 560 HG3 GLU 33 HG2 GLU 33 -26.185 -5.819 -6.028 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 24.289 7.919 -8.689 2 H2 GLY 1 H2 GLY 1 23.883 9.527 -8.357 3 H3 GLY 1 H3 GLY 1 22.815 8.546 -9.225 4 HA2 GLY 1 HA2 GLY 1 23.600 8.154 -6.398 5 HA3 GLY 1 HA3 GLY 1 22.070 8.823 -6.947 6 H SER 2 H SER 2 21.939 6.702 -5.334 7 HA SER 2 HA SER 2 20.544 4.804 -6.911 8 HB2 SER 2 HB3 SER 2 22.849 4.028 -7.372 9 HB3 SER 2 HB2 SER 2 23.115 3.827 -5.641 10 HG SER 2 HG SER 2 22.440 1.871 -6.099 11 H MET 3 H MET 3 22.305 5.094 -3.812 12 HA MET 3 HA MET 3 20.582 3.402 -2.383 13 HB2 MET 3 HB3 MET 3 22.446 5.566 -1.427 14 HB3 MET 3 HB2 MET 3 21.591 4.475 -0.347 15 HG2 MET 3 HG3 MET 3 23.629 3.728 -2.430 16 HG3 MET 3 HG2 MET 3 23.834 3.689 -0.680 17 HE1 MET 3 HE1 MET 3 20.899 2.520 0.151 18 HE2 MET 3 HE2 MET 3 22.413 2.040 0.915 19 HE3 MET 3 HE3 MET 3 21.308 0.811 0.304 20 H LYS 4 H LYS 4 20.689 6.977 -2.473 21 HA LYS 4 HA LYS 4 18.472 7.301 -0.749 22 HB2 LYS 4 HB3 LYS 4 20.095 9.102 -1.189 23 HB3 LYS 4 HB2 LYS 4 19.519 9.209 -2.846 24 HG2 LYS 4 HG3 LYS 4 17.410 10.038 -2.155 25 HG3 LYS 4 HG2 LYS 4 17.748 9.667 -0.463 26 HD2 LYS 4 HD3 LYS 4 17.990 12.051 -0.875 27 HD3 LYS 4 HD2 LYS 4 19.548 11.337 -0.467 28 HE2 LYS 4 HE3 LYS 4 19.811 12.894 -2.297 29 HE3 LYS 4 HE2 LYS 4 20.109 11.253 -2.863 30 HZ1 LYS 4 HZ1 LYS 4 18.748 12.560 -4.403 31 HZ2 LYS 4 HZ2 LYS 4 17.557 12.728 -3.215 32 HZ3 LYS 4 HZ3 LYS 4 17.922 11.198 -3.834 33 H GLN 5 H GLN 5 18.756 6.929 -4.225 34 HA GLN 5 HA GLN 5 16.063 7.509 -4.863 35 HB2 GLN 5 HB3 GLN 5 18.043 5.722 -6.290 36 HB3 GLN 5 HB2 GLN 5 16.507 6.255 -6.958 37 HG2 GLN 5 HG3 GLN 5 17.290 8.597 -6.744 38 HG3 GLN 5 HG2 GLN 5 18.858 7.981 -6.230 39 HE21 GLN 5 HE21 GLN 5 16.651 8.353 -8.875 40 HE22 GLN 5 HE22 GLN 5 17.765 7.937 -10.128 41 H LEU 6 H LEU 6 17.725 4.588 -3.839 42 HA LEU 6 HA LEU 6 15.508 2.840 -4.190 43 HB2 LEU 6 HB3 LEU 6 18.056 2.337 -3.880 44 HB3 LEU 6 HB2 LEU 6 17.690 2.398 -2.172 45 HG LEU 6 HG LEU 6 17.756 0.099 -3.139 46 HD11 LEU 6 HD11 LEU 6 15.762 -0.709 -2.031 47 HD12 LEU 6 HD12 LEU 6 15.081 0.919 -2.031 48 HD13 LEU 6 HD13 LEU 6 16.525 0.566 -1.082 49 HD21 LEU 6 HD21 LEU 6 15.929 -0.673 -4.517 50 HD22 LEU 6 HD22 LEU 6 16.772 0.651 -5.319 51 HD23 LEU 6 HD23 LEU 6 15.222 0.941 -4.532 52 H GLU 7 H GLU 7 16.734 4.804 -1.526 53 HA GLU 7 HA GLU 7 14.909 3.966 0.446 54 HB2 GLU 7 HB3 GLU 7 16.274 6.641 0.080 55 HB3 GLU 7 HB2 GLU 7 15.416 6.151 1.531 56 HG2 GLU 7 HG3 GLU 7 17.856 4.808 0.395 57 HG3 GLU 7 HG2 GLU 7 17.829 5.907 1.773 58 H ASP 8 H ASP 8 14.700 6.396 -2.093 59 HA ASP 8 HA ASP 8 12.127 7.371 -1.309 60 HB2 ASP 8 HB3 ASP 8 13.755 7.630 -3.825 61 HB3 ASP 8 HB2 ASP 8 12.104 8.232 -3.741 62 H LYS 9 H LYS 9 13.253 4.644 -3.077 63 HA LYS 9 HA LYS 9 10.864 4.115 -4.540 64 HB2 LYS 9 HB3 LYS 9 13.079 3.185 -5.156 65 HB3 LYS 9 HB2 LYS 9 13.059 2.210 -3.695 66 HG2 LYS 9 HG3 LYS 9 11.167 0.953 -4.508 67 HG3 LYS 9 HG2 LYS 9 11.051 1.995 -5.930 68 HD2 LYS 9 HD3 LYS 9 13.311 1.278 -6.608 69 HD3 LYS 9 HD2 LYS 9 13.366 0.195 -5.218 70 HE2 LYS 9 HE3 LYS 9 11.307 0.052 -7.414 71 HE3 LYS 9 HE2 LYS 9 12.770 -0.927 -7.355 72 HZ1 LYS 9 HZ1 LYS 9 10.861 -2.122 -6.493 73 HZ2 LYS 9 HZ2 LYS 9 10.613 -0.936 -5.319 74 HZ3 LYS 9 HZ3 LYS 9 12.012 -1.884 -5.280 75 H VAL 10 H VAL 10 12.100 3.214 -1.373 76 HA VAL 10 HA VAL 10 10.045 1.429 -0.629 77 HB VAL 10 HB VAL 10 11.562 3.306 1.197 78 HG11 VAL 10 HG11 VAL 10 11.125 1.609 2.911 79 HG12 VAL 10 HG12 VAL 10 10.188 0.678 1.744 80 HG13 VAL 10 HG13 VAL 10 9.628 2.271 2.250 81 HG21 VAL 10 HG21 VAL 10 13.211 1.584 1.478 82 HG22 VAL 10 HG22 VAL 10 13.060 1.935 -0.244 83 HG23 VAL 10 HG23 VAL 10 12.309 0.491 0.433 84 H GLU 11 H GLU 11 10.441 4.916 -0.158 85 HA GLU 11 HA GLU 11 7.957 5.300 1.157 86 HB2 GLU 11 HB3 GLU 11 9.707 7.289 -0.300 87 HB3 GLU 11 HB2 GLU 11 8.376 7.701 0.775 88 HG2 GLU 11 HG3 GLU 11 9.548 6.624 2.629 89 HG3 GLU 11 HG2 GLU 11 10.886 6.232 1.552 90 H GLU 12 H GLU 12 8.930 5.208 -2.177 91 HA GLU 12 HA GLU 12 6.768 6.431 -3.411 92 HB2 GLU 12 HB3 GLU 12 8.746 5.619 -4.627 93 HB3 GLU 12 HB2 GLU 12 8.245 3.960 -4.333 94 HG2 GLU 12 HG3 GLU 12 6.222 4.336 -5.649 95 HG3 GLU 12 HG2 GLU 12 6.724 6.000 -5.943 96 H LEU 13 H LEU 13 7.086 2.955 -2.585 97 HA LEU 13 HA LEU 13 4.349 2.479 -3.191 98 HB2 LEU 13 HB3 LEU 13 6.389 0.771 -1.802 99 HB3 LEU 13 HB2 LEU 13 4.712 0.285 -1.953 100 HG LEU 13 HG LEU 13 5.134 0.847 -4.496 101 HD11 LEU 13 HD11 LEU 13 7.875 0.075 -3.509 102 HD12 LEU 13 HD12 LEU 13 7.413 1.632 -4.195 103 HD13 LEU 13 HD13 LEU 13 7.375 0.181 -5.196 104 HD21 LEU 13 HD21 LEU 13 4.372 -1.289 -3.649 105 HD22 LEU 13 HD22 LEU 13 6.010 -1.694 -3.131 106 HD23 LEU 13 HD23 LEU 13 5.644 -1.529 -4.849 107 H LEU 14 H LEU 14 5.919 3.575 -0.269 108 HA LEU 14 HA LEU 14 3.754 2.982 1.445 109 HB2 LEU 14 HB3 LEU 14 6.092 3.855 2.101 110 HB3 LEU 14 HB2 LEU 14 5.446 5.448 1.714 111 HG LEU 14 HG LEU 14 3.894 3.719 3.591 112 HD11 LEU 14 HD11 LEU 14 6.248 3.579 4.381 113 HD12 LEU 14 HD12 LEU 14 5.137 4.352 5.508 114 HD13 LEU 14 HD13 LEU 14 6.244 5.337 4.557 115 HD21 LEU 14 HD21 LEU 14 2.990 5.858 2.883 116 HD22 LEU 14 HD22 LEU 14 4.425 6.679 3.501 117 HD23 LEU 14 HD23 LEU 14 3.335 5.848 4.613 118 H SER 15 H SER 15 4.522 5.699 -0.650 119 HA SER 15 HA SER 15 2.196 7.209 -0.152 120 HB2 SER 15 HB3 SER 15 3.749 7.053 -2.748 121 HB3 SER 15 HB2 SER 15 2.743 8.390 -2.190 122 HG SER 15 HG SER 15 5.262 7.534 -1.239 123 H LYS 16 H LYS 16 2.934 4.511 -2.273 124 HA LYS 16 HA LYS 16 0.582 4.424 -3.780 125 HB2 LYS 16 HB3 LYS 16 2.613 3.085 -4.222 126 HB3 LYS 16 HB2 LYS 16 2.272 2.122 -2.793 127 HG2 LYS 16 HG3 LYS 16 0.160 1.382 -3.850 128 HG3 LYS 16 HG2 LYS 16 0.626 2.264 -5.309 129 HD2 LYS 16 HD3 LYS 16 2.676 0.917 -5.450 130 HD3 LYS 16 HD2 LYS 16 2.177 0.023 -4.014 131 HE2 LYS 16 HE3 LYS 16 1.618 -1.313 -5.896 132 HE3 LYS 16 HE2 LYS 16 0.114 -0.646 -5.263 133 HZ1 LYS 16 HZ1 LYS 16 0.179 1.043 -6.994 134 HZ2 LYS 16 HZ2 LYS 16 0.183 -0.509 -7.660 135 HZ3 LYS 16 HZ3 LYS 16 1.613 0.389 -7.604 136 H ASN 17 H ASN 17 1.348 2.655 -0.732 137 HA ASN 17 HA ASN 17 -1.325 1.696 -0.493 138 HB2 ASN 17 HB3 ASN 17 -0.713 0.886 1.726 139 HB3 ASN 17 HB2 ASN 17 0.520 0.465 0.548 140 HD21 ASN 17 HD21 ASN 17 -0.264 2.527 3.256 141 HD22 ASN 17 HD22 ASN 17 1.363 2.952 3.642 142 H TYR 18 H TYR 18 0.376 4.485 0.854 143 HA TYR 18 HA TYR 18 -1.518 5.406 2.639 144 HB2 TYR 18 HB3 TYR 18 0.628 6.514 2.362 145 HB3 TYR 18 HB2 TYR 18 0.198 7.004 0.728 146 HD1 TYR 18 HD1 TYR 18 -0.912 9.035 0.344 147 HD2 TYR 18 HD2 TYR 18 -0.724 7.477 4.299 148 HE1 TYR 18 HE1 TYR 18 -1.832 11.140 1.213 149 HE2 TYR 18 HE2 TYR 18 -1.646 9.583 5.178 150 HH TYR 18 HH TYR 18 -1.825 11.930 4.524 151 H HIS 19 H HIS 19 -1.359 6.109 -0.855 152 HA HIS 19 HA HIS 19 -3.841 7.515 -0.877 153 HB2 HIS 19 HB3 HIS 19 -2.247 6.287 -3.134 154 HB3 HIS 19 HB2 HIS 19 -3.679 7.282 -3.367 155 HD1 HIS 19 HD1 HIS 19 -0.329 7.678 -3.848 156 HD2 HIS 19 HD2 HIS 19 -3.042 9.826 -1.541 157 HE1 HIS 19 HE1 HIS 19 0.711 9.942 -3.510 158 HE2 HIS 19 HE2 HIS 19 -1.024 11.273 -2.258 159 H LEU 20 H LEU 20 -2.891 4.185 -1.428 160 HA LEU 20 HA LEU 20 -5.317 3.289 -2.523 161 HB2 LEU 20 HB3 LEU 20 -3.151 2.110 -2.669 162 HB3 LEU 20 HB2 LEU 20 -3.240 1.776 -0.951 163 HG LEU 20 HG LEU 20 -5.233 0.425 -1.313 164 HD11 LEU 20 HD11 LEU 20 -4.756 1.022 -4.227 165 HD12 LEU 20 HD12 LEU 20 -6.154 1.510 -3.269 166 HD13 LEU 20 HD13 LEU 20 -5.874 -0.196 -3.616 167 HD21 LEU 20 HD21 LEU 20 -2.906 -0.331 -3.066 168 HD22 LEU 20 HD22 LEU 20 -4.123 -1.437 -2.431 169 HD23 LEU 20 HD23 LEU 20 -3.028 -0.607 -1.329 170 H GLU 21 H GLU 21 -4.143 3.642 0.796 171 HA GLU 21 HA GLU 21 -6.333 2.367 2.058 172 HB2 GLU 21 HB3 GLU 21 -4.181 2.972 3.185 173 HB3 GLU 21 HB2 GLU 21 -4.684 4.657 3.149 174 HG2 GLU 21 HG3 GLU 21 -6.603 4.132 4.547 175 HG3 GLU 21 HG2 GLU 21 -6.147 2.431 4.555 176 H ASN 22 H ASN 22 -5.871 5.572 0.747 177 HA ASN 22 HA ASN 22 -8.179 6.785 1.832 178 HB2 ASN 22 HB3 ASN 22 -6.528 7.343 -0.614 179 HB3 ASN 22 HB2 ASN 22 -8.013 8.234 -0.313 180 HD21 ASN 22 HD21 ASN 22 -5.891 7.130 2.243 181 HD22 ASN 22 HD22 ASN 22 -5.338 8.698 2.712 182 H GLU 23 H GLU 23 -7.678 4.521 -0.724 183 HA GLU 23 HA GLU 23 -10.245 4.888 -1.964 184 HB2 GLU 23 HB3 GLU 23 -8.013 2.916 -2.279 185 HB3 GLU 23 HB2 GLU 23 -9.619 2.507 -2.914 186 HG2 GLU 23 HG3 GLU 23 -8.397 3.433 -4.700 187 HG3 GLU 23 HG2 GLU 23 -9.542 4.667 -4.187 188 H VAL 24 H VAL 24 -8.890 2.791 0.510 189 HA VAL 24 HA VAL 24 -11.148 1.069 0.671 190 HB VAL 24 HB VAL 24 -9.200 1.639 2.911 191 HG11 VAL 24 HG11 VAL 24 -11.184 0.373 3.565 192 HG12 VAL 24 HG12 VAL 24 -9.742 -0.639 3.628 193 HG13 VAL 24 HG13 VAL 24 -10.875 -0.803 2.282 194 HG21 VAL 24 HG21 VAL 24 -7.854 -0.216 2.082 195 HG22 VAL 24 HG22 VAL 24 -7.958 1.070 0.880 196 HG23 VAL 24 HG23 VAL 24 -8.931 -0.390 0.697 197 H ALA 25 H ALA 25 -10.175 4.048 2.245 198 HA ALA 25 HA ALA 25 -12.105 4.024 4.304 199 HB1 ALA 25 HB1 ALA 25 -10.045 5.404 4.305 200 HB2 ALA 25 HB2 ALA 25 -11.507 6.305 4.707 201 HB3 ALA 25 HB3 ALA 25 -10.797 6.451 3.100 202 H ARG 26 H ARG 26 -12.174 5.393 1.036 203 HA ARG 26 HA ARG 26 -14.573 6.840 1.389 204 HB2 ARG 26 HB3 ARG 26 -14.629 6.799 -1.141 205 HB3 ARG 26 HB2 ARG 26 -13.225 7.540 -0.403 206 HG2 ARG 26 HG3 ARG 26 -11.998 5.408 -0.792 207 HG3 ARG 26 HG2 ARG 26 -13.394 4.817 -1.695 208 HD2 ARG 26 HD2 ARG 26 -11.730 7.249 -2.326 209 HD3 ARG 26 HD1 ARG 26 -11.736 5.726 -3.210 210 HE ARG 26 HE ARG 26 -14.321 6.545 -3.325 211 HH11 ARG 26 HH11 ARG 26 -11.267 8.061 -4.111 212 HH12 ARG 26 HH12 ARG 26 -11.932 9.044 -5.376 213 HH21 ARG 26 HH21 ARG 26 -15.206 7.846 -4.985 214 HH22 ARG 26 HH22 ARG 26 -14.173 8.922 -5.869 215 H LEU 27 H LEU 27 -13.905 3.626 0.073 216 HA LEU 27 HA LEU 27 -16.599 3.015 -0.537 217 HB2 LEU 27 HB3 LEU 27 -14.309 1.162 0.070 218 HB3 LEU 27 HB2 LEU 27 -15.850 0.697 -0.612 219 HG LEU 27 HG LEU 27 -14.145 2.703 -1.996 220 HD11 LEU 27 HD11 LEU 27 -13.151 0.923 -3.281 221 HD12 LEU 27 HD12 LEU 27 -14.018 -0.276 -2.319 222 HD13 LEU 27 HD13 LEU 27 -12.779 0.731 -1.568 223 HD21 LEU 27 HD21 LEU 27 -15.357 1.754 -3.956 224 HD22 LEU 27 HD22 LEU 27 -16.402 2.544 -2.777 225 HD23 LEU 27 HD23 LEU 27 -16.304 0.783 -2.826 226 H LYS 28 H LYS 28 -14.605 2.407 2.317 227 HA LYS 28 HA LYS 28 -16.272 0.793 3.772 228 HB2 LYS 28 HB3 LYS 28 -14.005 1.580 4.478 229 HB3 LYS 28 HB2 LYS 28 -14.732 3.114 4.936 230 HG2 LYS 28 HG3 LYS 28 -14.517 1.833 6.913 231 HG3 LYS 28 HG2 LYS 28 -16.230 1.833 6.485 232 HD2 LYS 28 HD3 LYS 28 -15.798 -0.382 5.328 233 HD3 LYS 28 HD2 LYS 28 -14.223 -0.382 6.120 234 HE2 LYS 28 HE3 LYS 28 -16.944 -0.442 7.406 235 HE3 LYS 28 HE2 LYS 28 -15.691 -1.680 7.466 236 HZ1 LYS 28 HZ1 LYS 28 -14.294 -0.003 8.656 237 HZ2 LYS 28 HZ2 LYS 28 -15.646 -0.545 9.512 238 HZ3 LYS 28 HZ3 LYS 28 -15.673 0.979 8.775 239 H LYS 29 H LYS 29 -16.370 4.363 3.715 240 HA LYS 29 HA LYS 29 -18.656 4.464 5.413 241 HB2 LYS 29 HB3 LYS 29 -18.658 6.872 4.880 242 HB3 LYS 29 HB2 LYS 29 -17.102 6.286 5.429 243 HG2 LYS 29 HG3 LYS 29 -16.406 6.160 3.028 244 HG3 LYS 29 HG2 LYS 29 -17.917 6.970 2.617 245 HD2 LYS 29 HD3 LYS 29 -15.813 8.080 4.475 246 HD3 LYS 29 HD2 LYS 29 -15.988 8.515 2.777 247 HE2 LYS 29 HE3 LYS 29 -18.108 8.900 4.885 248 HE3 LYS 29 HE2 LYS 29 -17.006 10.156 4.326 249 HZ1 LYS 29 HZ1 LYS 29 -19.124 10.323 3.214 250 HZ2 LYS 29 HZ2 LYS 29 -19.009 8.732 2.662 251 HZ3 LYS 29 HZ3 LYS 29 -17.929 9.899 2.097 252 H LEU 30 H LEU 30 -18.215 4.114 2.012 253 HA LEU 30 HA LEU 30 -20.856 4.847 1.224 254 HB2 LEU 30 HB3 LEU 30 -18.670 3.220 -0.009 255 HB3 LEU 30 HB2 LEU 30 -20.267 3.232 -0.730 256 HG LEU 30 HG LEU 30 -18.602 5.705 -0.257 257 HD11 LEU 30 HD11 LEU 30 -19.001 4.068 -2.755 258 HD12 LEU 30 HD12 LEU 30 -17.492 4.297 -1.874 259 HD13 LEU 30 HD13 LEU 30 -18.248 5.659 -2.697 260 HD21 LEU 30 HD21 LEU 30 -21.011 6.114 -0.342 261 HD22 LEU 30 HD22 LEU 30 -21.109 5.247 -1.874 262 HD23 LEU 30 HD23 LEU 30 -20.206 6.758 -1.771 263 H VAL 31 H VAL 31 -19.376 1.948 2.502 264 HA VAL 31 HA VAL 31 -21.755 0.364 2.013 265 HB VAL 31 HB VAL 31 -19.338 -0.449 3.639 266 HG11 VAL 31 HG11 VAL 31 -21.389 -1.821 3.888 267 HG12 VAL 31 HG12 VAL 31 -20.039 -2.704 3.175 268 HG13 VAL 31 HG13 VAL 31 -21.352 -2.128 2.150 269 HG21 VAL 31 HG21 VAL 31 -19.819 -0.812 0.685 270 HG22 VAL 31 HG22 VAL 31 -18.481 -1.501 1.608 271 HG23 VAL 31 HG23 VAL 31 -18.614 0.247 1.419 272 H GLY 32 H GLY 32 -20.306 2.183 4.646 273 HA2 GLY 32 HA3 GLY 32 -22.581 2.574 6.073 274 HA3 GLY 32 HA2 GLY 32 -22.038 1.005 6.635 275 H GLU 33 H GLU 33 -19.269 2.632 5.919 276 HA GLU 33 HA GLU 33 -17.694 3.767 7.070 277 HB2 GLU 33 HB3 GLU 33 -19.353 5.516 7.443 278 HB3 GLU 33 HB2 GLU 33 -19.976 4.651 8.842 279 HG2 GLU 33 HG3 GLU 33 -17.826 4.932 9.967 280 HG3 GLU 33 HG2 GLU 33 -17.218 5.813 8.570 281 H1 GLY 1 H1 GLY 1 24.311 -8.151 7.983 282 H2 GLY 1 H2 GLY 1 23.923 -9.757 7.631 283 H3 GLY 1 H3 GLY 1 22.844 -8.799 8.510 284 HA2 GLY 1 HA2 GLY 1 23.625 -8.373 5.685 285 HA3 GLY 1 HA3 GLY 1 22.097 -9.049 6.233 286 H SER 2 H SER 2 21.961 -6.908 4.636 287 HA SER 2 HA SER 2 20.564 -5.023 6.232 288 HB2 SER 2 HB3 SER 2 22.861 -4.237 6.694 289 HB3 SER 2 HB2 SER 2 23.133 -4.041 4.963 290 HG SER 2 HG SER 2 22.474 -2.081 5.449 291 H MET 3 H MET 3 22.316 -5.302 3.125 292 HA MET 3 HA MET 3 20.592 -3.596 1.711 293 HB2 MET 3 HB3 MET 3 22.453 -5.756 0.738 294 HB3 MET 3 HB2 MET 3 21.595 -4.658 -0.333 295 HG2 MET 3 HG3 MET 3 23.643 -3.925 1.744 296 HG3 MET 3 HG2 MET 3 23.838 -3.873 -0.006 297 HE1 MET 3 HE1 MET 3 20.902 -2.701 -0.818 298 HE2 MET 3 HE2 MET 3 22.417 -2.220 -1.583 299 HE3 MET 3 HE3 MET 3 21.313 -0.992 -0.966 300 H LYS 4 H LYS 4 20.688 -7.166 1.797 301 HA LYS 4 HA LYS 4 18.474 -7.479 0.064 302 HB2 LYS 4 HB3 LYS 4 20.097 -9.285 0.491 303 HB3 LYS 4 HB2 LYS 4 19.528 -9.400 2.148 304 HG2 LYS 4 HG3 LYS 4 17.413 -10.221 1.460 305 HG3 LYS 4 HG2 LYS 4 17.745 -9.845 -0.229 306 HD2 LYS 4 HD3 LYS 4 17.981 -12.230 0.170 307 HD3 LYS 4 HD2 LYS 4 19.541 -11.520 -0.240 308 HE2 LYS 4 HE3 LYS 4 19.805 -13.088 1.580 309 HE3 LYS 4 HE2 LYS 4 20.115 -11.452 2.152 310 HZ1 LYS 4 HZ1 LYS 4 18.753 -12.756 3.694 311 HZ2 LYS 4 HZ2 LYS 4 17.554 -12.912 2.512 312 HZ3 LYS 4 HZ3 LYS 4 17.934 -11.388 3.134 313 H GLN 5 H GLN 5 18.769 -7.131 3.543 314 HA GLN 5 HA GLN 5 16.080 -7.706 4.190 315 HB2 GLN 5 HB3 GLN 5 18.069 -5.934 5.619 316 HB3 GLN 5 HB2 GLN 5 16.535 -6.470 6.290 317 HG2 GLN 5 HG3 GLN 5 17.311 -8.811 6.055 318 HG3 GLN 5 HG2 GLN 5 18.879 -8.195 5.539 319 HE21 GLN 5 HE21 GLN 5 16.675 -8.573 8.188 320 HE22 GLN 5 HE22 GLN 5 17.793 -8.171 9.442 321 H LEU 6 H LEU 6 17.741 -4.786 3.177 322 HA LEU 6 HA LEU 6 15.530 -3.031 3.540 323 HB2 LEU 6 HB3 LEU 6 18.079 -2.535 3.223 324 HB3 LEU 6 HB2 LEU 6 17.705 -2.588 1.515 325 HG LEU 6 HG LEU 6 17.780 -0.292 2.490 326 HD11 LEU 6 HD11 LEU 6 15.779 0.525 1.396 327 HD12 LEU 6 HD12 LEU 6 15.097 -1.102 1.392 328 HD13 LEU 6 HD13 LEU 6 16.536 -0.746 0.438 329 HD21 LEU 6 HD21 LEU 6 15.965 0.478 3.883 330 HD22 LEU 6 HD22 LEU 6 16.804 -0.855 4.673 331 HD23 LEU 6 HD23 LEU 6 15.251 -1.131 3.890 332 H GLU 7 H GLU 7 16.745 -4.986 0.867 333 HA GLU 7 HA GLU 7 14.918 -4.130 -1.098 334 HB2 GLU 7 HB3 GLU 7 16.277 -6.809 -0.750 335 HB3 GLU 7 HB2 GLU 7 15.414 -6.309 -2.196 336 HG2 GLU 7 HG3 GLU 7 17.858 -4.972 -1.062 337 HG3 GLU 7 HG2 GLU 7 17.827 -6.068 -2.441 338 H ASP 8 H ASP 8 14.708 -6.583 1.422 339 HA ASP 8 HA ASP 8 12.131 -7.541 0.642 340 HB2 ASP 8 HB3 ASP 8 13.767 -7.813 3.152 341 HB3 ASP 8 HB2 ASP 8 12.115 -8.415 3.071 342 H LYS 9 H LYS 9 13.268 -4.830 2.429 343 HA LYS 9 HA LYS 9 10.885 -4.306 3.902 344 HB2 LYS 9 HB3 LYS 9 13.103 -3.381 4.515 345 HB3 LYS 9 HB2 LYS 9 13.080 -2.398 3.060 346 HG2 LYS 9 HG3 LYS 9 11.196 -1.141 3.888 347 HG3 LYS 9 HG2 LYS 9 11.081 -2.190 5.304 348 HD2 LYS 9 HD3 LYS 9 13.349 -1.481 5.975 349 HD3 LYS 9 HD2 LYS 9 13.397 -0.391 4.591 350 HE2 LYS 9 HE3 LYS 9 11.349 -0.256 6.796 351 HE3 LYS 9 HE2 LYS 9 12.813 0.722 6.736 352 HZ1 LYS 9 HZ1 LYS 9 10.901 1.921 5.887 353 HZ2 LYS 9 HZ2 LYS 9 10.646 0.737 4.711 354 HZ3 LYS 9 HZ3 LYS 9 12.045 1.685 4.664 355 H VAL 10 H VAL 10 12.107 -3.387 0.738 356 HA VAL 10 HA VAL 10 10.049 -1.596 0.011 357 HB VAL 10 HB VAL 10 11.559 -3.462 -1.835 358 HG11 VAL 10 HG11 VAL 10 11.114 -1.754 -3.535 359 HG12 VAL 10 HG12 VAL 10 10.184 -0.828 -2.357 360 HG13 VAL 10 HG13 VAL 10 9.621 -2.419 -2.870 361 HG21 VAL 10 HG21 VAL 10 13.207 -1.739 -2.112 362 HG22 VAL 10 HG22 VAL 10 13.061 -2.101 -0.391 363 HG23 VAL 10 HG23 VAL 10 12.311 -0.651 -1.057 364 H GLU 11 H GLU 11 10.438 -5.081 -0.472 365 HA GLU 11 HA GLU 11 7.951 -5.452 -1.788 366 HB2 GLU 11 HB3 GLU 11 9.704 -7.449 -0.351 367 HB3 GLU 11 HB2 GLU 11 8.370 -7.853 -1.423 368 HG2 GLU 11 HG3 GLU 11 9.535 -6.765 -3.276 369 HG3 GLU 11 HG2 GLU 11 10.880 -6.386 -2.199 370 H GLU 12 H GLU 12 8.937 -5.389 1.544 371 HA GLU 12 HA GLU 12 6.776 -6.610 2.778 372 HB2 GLU 12 HB3 GLU 12 8.764 -5.819 3.992 373 HB3 GLU 12 HB2 GLU 12 8.273 -4.155 3.710 374 HG2 GLU 12 HG3 GLU 12 6.250 -4.529 5.027 375 HG3 GLU 12 HG2 GLU 12 6.752 -6.194 5.319 376 H LEU 13 H LEU 13 7.102 -3.128 1.964 377 HA LEU 13 HA LEU 13 4.367 -2.650 2.589 378 HB2 LEU 13 HB3 LEU 13 6.404 -0.937 1.201 379 HB3 LEU 13 HB2 LEU 13 4.728 -0.450 1.362 380 HG LEU 13 HG LEU 13 5.162 -1.027 3.902 381 HD11 LEU 13 HD11 LEU 13 7.899 -0.253 2.908 382 HD12 LEU 13 HD12 LEU 13 7.436 -1.811 3.594 383 HD13 LEU 13 HD13 LEU 13 7.407 -0.363 4.599 384 HD21 LEU 13 HD21 LEU 13 4.394 1.112 3.072 385 HD22 LEU 13 HD22 LEU 13 6.030 1.522 2.548 386 HD23 LEU 13 HD23 LEU 13 5.672 1.348 4.266 387 H LEU 14 H LEU 14 5.925 -3.734 -0.344 388 HA LEU 14 HA LEU 14 3.752 -3.127 -2.045 389 HB2 LEU 14 HB3 LEU 14 6.084 -3.999 -2.715 390 HB3 LEU 14 HB2 LEU 14 5.437 -5.595 -2.334 391 HG LEU 14 HG LEU 14 3.877 -3.853 -4.196 392 HD11 LEU 14 HD11 LEU 14 6.231 -3.714 -4.996 393 HD12 LEU 14 HD12 LEU 14 5.110 -4.474 -6.121 394 HD13 LEU 14 HD13 LEU 14 6.218 -5.471 -5.184 395 HD21 LEU 14 HD21 LEU 14 2.977 -5.996 -3.496 396 HD22 LEU 14 HD22 LEU 14 4.412 -6.812 -4.115 397 HD23 LEU 14 HD23 LEU 14 3.321 -5.981 -5.225 398 H SER 15 H SER 15 4.525 -5.862 0.029 399 HA SER 15 HA SER 15 2.193 -7.360 -0.469 400 HB2 SER 15 HB3 SER 15 3.753 -7.222 2.123 401 HB3 SER 15 HB2 SER 15 2.742 -8.554 1.562 402 HG SER 15 HG SER 15 5.262 -7.703 0.617 403 H LYS 16 H LYS 16 2.942 -4.674 1.664 404 HA LYS 16 HA LYS 16 0.597 -4.592 3.178 405 HB2 LYS 16 HB3 LYS 16 2.632 -3.256 3.617 406 HB3 LYS 16 HB2 LYS 16 2.287 -2.284 2.197 407 HG2 LYS 16 HG3 LYS 16 0.179 -1.550 3.272 408 HG3 LYS 16 HG2 LYS 16 0.653 -2.442 4.722 409 HD2 LYS 16 HD3 LYS 16 2.702 -1.096 4.863 410 HD3 LYS 16 HD2 LYS 16 2.201 -0.192 3.434 411 HE2 LYS 16 HE3 LYS 16 1.650 1.130 5.332 412 HE3 LYS 16 HE2 LYS 16 0.143 0.475 4.690 413 HZ1 LYS 16 HZ1 LYS 16 0.198 -1.233 6.403 414 HZ2 LYS 16 HZ2 LYS 16 0.210 0.313 7.087 415 HZ3 LYS 16 HZ3 LYS 16 1.637 -0.592 7.023 416 H ASN 17 H ASN 17 1.355 -2.807 0.137 417 HA ASN 17 HA ASN 17 -1.319 -1.845 -0.084 418 HB2 ASN 17 HB3 ASN 17 -0.715 -1.023 -2.301 419 HB3 ASN 17 HB2 ASN 17 0.525 -0.613 -1.127 420 HD21 ASN 17 HD21 ASN 17 -0.275 -2.673 -3.842 421 HD22 ASN 17 HD22 ASN 17 1.350 -3.102 -4.234 422 H TYR 18 H TYR 18 0.373 -4.632 -1.449 423 HA TYR 18 HA TYR 18 -1.527 -5.542 -3.236 424 HB2 TYR 18 HB3 TYR 18 0.617 -6.654 -2.970 425 HB3 TYR 18 HB2 TYR 18 0.193 -7.153 -1.337 426 HD1 TYR 18 HD1 TYR 18 -0.913 -9.186 -0.963 427 HD2 TYR 18 HD2 TYR 18 -0.751 -7.597 -4.904 428 HE1 TYR 18 HE1 TYR 18 -1.839 -11.284 -1.841 429 HE2 TYR 18 HE2 TYR 18 -1.680 -9.693 -5.791 430 HH TYR 18 HH TYR 18 -1.847 -12.041 -5.161 431 H HIS 19 H HIS 19 -1.358 -6.256 0.257 432 HA HIS 19 HA HIS 19 -3.841 -7.662 0.280 433 HB2 HIS 19 HB3 HIS 19 -2.231 -6.441 2.532 434 HB3 HIS 19 HB2 HIS 19 -3.664 -7.435 2.771 435 HD1 HIS 19 HD1 HIS 19 -0.310 -7.837 3.217 436 HD2 HIS 19 HD2 HIS 19 -3.047 -9.973 0.933 437 HE1 HIS 19 HE1 HIS 19 0.719 -10.108 2.876 438 HE2 HIS 19 HE2 HIS 19 -1.016 -11.422 1.606 439 H LEU 20 H LEU 20 -2.881 -4.337 0.863 440 HA LEU 20 HA LEU 20 -5.303 -3.442 1.958 441 HB2 LEU 20 HB3 LEU 20 -3.135 -2.270 2.102 442 HB3 LEU 20 HB2 LEU 20 -3.229 -1.925 0.387 443 HG LEU 20 HG LEU 20 -5.223 -0.575 0.764 444 HD11 LEU 20 HD11 LEU 20 -4.729 -1.188 3.673 445 HD12 LEU 20 HD12 LEU 20 -6.132 -1.667 2.719 446 HD13 LEU 20 HD13 LEU 20 -5.847 0.036 3.073 447 HD21 LEU 20 HD21 LEU 20 -2.888 0.180 2.509 448 HD22 LEU 20 HD22 LEU 20 -4.111 1.285 1.886 449 HD23 LEU 20 HD23 LEU 20 -3.018 0.464 0.774 450 H GLU 21 H GLU 21 -4.142 -3.785 -1.366 451 HA GLU 21 HA GLU 21 -6.336 -2.497 -2.615 452 HB2 GLU 21 HB3 GLU 21 -4.191 -3.094 -3.757 453 HB3 GLU 21 HB2 GLU 21 -4.689 -4.779 -3.725 454 HG2 GLU 21 HG3 GLU 21 -6.620 -4.251 -5.111 455 HG3 GLU 21 HG2 GLU 21 -6.159 -2.550 -5.117 456 H ASN 22 H ASN 22 -5.878 -5.707 -1.318 457 HA ASN 22 HA ASN 22 -8.192 -6.906 -2.409 458 HB2 ASN 22 HB3 ASN 22 -6.528 -7.486 0.025 459 HB3 ASN 22 HB2 ASN 22 -8.017 -8.372 -0.273 460 HD21 ASN 22 HD21 ASN 22 -5.901 -7.254 -2.828 461 HD22 ASN 22 HD22 ASN 22 -5.357 -8.818 -3.314 462 H GLU 23 H GLU 23 -7.672 -4.661 0.162 463 HA GLU 23 HA GLU 23 -10.234 -5.030 1.409 464 HB2 GLU 23 HB3 GLU 23 -7.998 -3.064 1.727 465 HB3 GLU 23 HB2 GLU 23 -9.602 -2.656 2.370 466 HG2 GLU 23 HG3 GLU 23 -8.374 -3.597 4.148 467 HG3 GLU 23 HG2 GLU 23 -9.523 -4.827 3.632 468 H VAL 24 H VAL 24 -8.889 -2.926 -1.064 469 HA VAL 24 HA VAL 24 -11.146 -1.200 -1.205 470 HB VAL 24 HB VAL 24 -9.205 -1.755 -3.455 471 HG11 VAL 24 HG11 VAL 24 -11.191 -0.486 -4.092 472 HG12 VAL 24 HG12 VAL 24 -9.749 0.524 -4.157 473 HG13 VAL 24 HG13 VAL 24 -10.874 0.681 -2.806 474 HG21 VAL 24 HG21 VAL 24 -7.855 0.091 -2.618 475 HG22 VAL 24 HG22 VAL 24 -7.957 -1.203 -1.425 476 HG23 VAL 24 HG23 VAL 24 -8.925 0.257 -1.227 477 H ALA 25 H ALA 25 -10.184 -4.168 -2.800 478 HA ALA 25 HA ALA 25 -12.125 -4.129 -4.849 479 HB1 ALA 25 HB1 ALA 25 -10.066 -5.509 -4.863 480 HB2 ALA 25 HB2 ALA 25 -11.530 -6.404 -5.266 481 HB3 ALA 25 HB3 ALA 25 -10.815 -6.562 -3.663 482 H ARG 26 H ARG 26 -12.179 -5.517 -1.589 483 HA ARG 26 HA ARG 26 -14.579 -6.957 -1.942 484 HB2 ARG 26 HB3 ARG 26 -14.624 -6.932 0.590 485 HB3 ARG 26 HB2 ARG 26 -13.226 -7.672 -0.161 486 HG2 ARG 26 HG3 ARG 26 -11.990 -5.545 0.233 487 HG3 ARG 26 HG2 ARG 26 -13.378 -4.955 1.150 488 HD2 ARG 26 HD2 ARG 26 -11.707 -7.392 1.759 489 HD3 ARG 26 HD1 ARG 26 -11.712 -5.872 2.650 490 HE ARG 26 HE ARG 26 -14.295 -6.688 2.769 491 HH11 ARG 26 HH11 ARG 26 -11.249 -8.224 3.552 492 HH12 ARG 26 HH12 ARG 26 -11.927 -9.218 4.801 493 HH21 ARG 26 HH21 ARG 26 -15.186 -7.990 4.407 494 HH22 ARG 26 HH22 ARG 26 -14.164 -9.072 5.299 495 H LEU 27 H LEU 27 -13.903 -3.752 -0.605 496 HA LEU 27 HA LEU 27 -16.595 -3.145 0.017 497 HB2 LEU 27 HB3 LEU 27 -14.308 -1.286 -0.585 498 HB3 LEU 27 HB2 LEU 27 -15.847 -0.825 0.105 499 HG LEU 27 HG LEU 27 -14.137 -2.839 1.469 500 HD11 LEU 27 HD11 LEU 27 -13.133 -1.067 2.759 501 HD12 LEU 27 HD12 LEU 27 -14.001 0.137 1.804 502 HD13 LEU 27 HD13 LEU 27 -12.768 -0.870 1.044 503 HD21 LEU 27 HD21 LEU 27 -15.338 -1.903 3.441 504 HD22 LEU 27 HD22 LEU 27 -16.394 -2.677 2.260 505 HD23 LEU 27 HD23 LEU 27 -16.285 -0.917 2.323 506 H LYS 28 H LYS 28 -14.611 -2.516 -2.840 507 HA LYS 28 HA LYS 28 -16.283 -0.896 -4.282 508 HB2 LYS 28 HB3 LYS 28 -14.019 -1.679 -4.998 509 HB3 LYS 28 HB2 LYS 28 -14.747 -3.211 -5.463 510 HG2 LYS 28 HG3 LYS 28 -14.538 -1.922 -7.433 511 HG3 LYS 28 HG2 LYS 28 -16.250 -1.920 -7.001 512 HD2 LYS 28 HD3 LYS 28 -15.810 0.292 -5.840 513 HD3 LYS 28 HD2 LYS 28 -14.237 0.290 -6.637 514 HE2 LYS 28 HE3 LYS 28 -16.963 0.357 -7.915 515 HE3 LYS 28 HE2 LYS 28 -15.708 1.593 -7.979 516 HZ1 LYS 28 HZ1 LYS 28 -14.320 -0.089 -9.182 517 HZ2 LYS 28 HZ2 LYS 28 -15.678 0.452 -10.031 518 HZ3 LYS 28 HZ3 LYS 28 -15.702 -1.068 -9.289 519 H LYS 29 H LYS 29 -16.382 -4.467 -4.245 520 HA LYS 29 HA LYS 29 -18.674 -4.557 -5.934 521 HB2 LYS 29 HB3 LYS 29 -18.688 -6.966 -5.408 522 HB3 LYS 29 HB2 LYS 29 -17.130 -6.384 -5.962 523 HG2 LYS 29 HG3 LYS 29 -16.423 -6.268 -3.559 524 HG3 LYS 29 HG2 LYS 29 -17.933 -7.080 -3.148 525 HD2 LYS 29 HD3 LYS 29 -15.836 -8.179 -5.017 526 HD3 LYS 29 HD2 LYS 29 -16.005 -8.626 -3.321 527 HE2 LYS 29 HE3 LYS 29 -18.135 -8.990 -5.422 528 HE3 LYS 29 HE2 LYS 29 -17.035 -10.254 -4.882 529 HZ1 LYS 29 HZ1 LYS 29 -19.150 -10.428 -3.764 530 HZ2 LYS 29 HZ2 LYS 29 -19.030 -8.840 -3.196 531 HZ3 LYS 29 HZ3 LYS 29 -17.950 -10.016 -2.645 532 H LEU 30 H LEU 30 -18.224 -4.227 -2.531 533 HA LEU 30 HA LEU 30 -20.863 -4.955 -1.735 534 HB2 LEU 30 HB3 LEU 30 -18.669 -3.336 -0.504 535 HB3 LEU 30 HB2 LEU 30 -20.264 -3.350 0.224 536 HG LEU 30 HG LEU 30 -18.602 -5.822 -0.268 537 HD11 LEU 30 HD11 LEU 30 -18.995 -4.192 2.236 538 HD12 LEU 30 HD12 LEU 30 -17.487 -4.428 1.353 539 HD13 LEU 30 HD13 LEU 30 -18.249 -5.787 2.175 540 HD21 LEU 30 HD21 LEU 30 -21.009 -6.232 -0.182 541 HD22 LEU 30 HD22 LEU 30 -21.106 -5.371 1.353 542 HD23 LEU 30 HD23 LEU 30 -20.201 -6.881 1.244 543 H VAL 31 H VAL 31 -19.381 -2.055 -3.004 544 HA VAL 31 HA VAL 31 -21.755 -0.468 -2.501 545 HB VAL 31 HB VAL 31 -19.342 0.347 -4.130 546 HG11 VAL 31 HG11 VAL 31 -21.389 1.725 -4.365 547 HG12 VAL 31 HG12 VAL 31 -20.035 2.601 -3.656 548 HG13 VAL 31 HG13 VAL 31 -21.348 2.027 -2.627 549 HG21 VAL 31 HG21 VAL 31 -19.815 0.697 -1.173 550 HG22 VAL 31 HG22 VAL 31 -18.479 1.387 -2.097 551 HG23 VAL 31 HG23 VAL 31 -18.614 -0.363 -1.914 552 H GLY 32 H GLY 32 -20.328 -2.273 -5.148 553 HA2 GLY 32 HA3 GLY 32 -22.602 -2.659 -6.574 554 HA3 GLY 32 HA2 GLY 32 -22.063 -1.087 -7.130 555 H GLU 33 H GLU 33 -19.288 -2.716 -6.424 556 HA GLU 33 HA GLU 33 -17.718 -3.859 -7.578 557 HB2 GLU 33 HB3 GLU 33 -19.384 -5.595 -7.974 558 HB3 GLU 33 HB2 GLU 33 -20.002 -4.711 -9.364 559 HG2 GLU 33 HG3 GLU 33 -17.855 -4.997 -10.496 560 HG3 GLU 33 HG2 GLU 33 -17.247 -5.893 -9.106 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 24.908 5.832 -3.010 2 H2 GLY 1 H2 GLY 1 25.540 5.365 -4.505 3 H3 GLY 1 H3 GLY 1 26.482 5.227 -3.107 4 HA2 GLY 1 HA2 GLY 1 25.645 3.067 -3.785 5 HA3 GLY 1 HA3 GLY 1 25.008 3.551 -2.221 6 H SER 2 H SER 2 23.618 1.643 -3.414 7 HA SER 2 HA SER 2 21.486 2.881 -4.975 8 HB2 SER 2 HB3 SER 2 21.971 -0.021 -4.263 9 HB3 SER 2 HB2 SER 2 20.694 0.569 -5.327 10 HG SER 2 HG SER 2 23.245 1.428 -5.957 11 H MET 3 H MET 3 22.181 2.343 -1.766 12 HA MET 3 HA MET 3 19.705 1.477 -0.734 13 HB2 MET 3 HB3 MET 3 21.781 1.481 0.593 14 HB3 MET 3 HB2 MET 3 21.804 3.238 0.556 15 HG2 MET 3 HG3 MET 3 19.696 3.284 1.803 16 HG3 MET 3 HG2 MET 3 19.707 1.522 1.864 17 HE1 MET 3 HE1 MET 3 19.436 1.669 4.523 18 HE2 MET 3 HE2 MET 3 19.455 3.429 4.428 19 HE3 MET 3 HE3 MET 3 20.520 2.596 5.560 20 H LYS 4 H LYS 4 20.988 4.674 -1.487 21 HA LYS 4 HA LYS 4 18.855 6.195 -0.460 22 HB2 LYS 4 HB3 LYS 4 21.014 7.188 -1.049 23 HB3 LYS 4 HB2 LYS 4 20.744 6.811 -2.742 24 HG2 LYS 4 HG3 LYS 4 20.331 9.163 -2.278 25 HG3 LYS 4 HG2 LYS 4 18.860 8.347 -2.803 26 HD2 LYS 4 HD3 LYS 4 18.359 9.826 -0.959 27 HD3 LYS 4 HD2 LYS 4 18.158 8.153 -0.444 28 HE2 LYS 4 HE3 LYS 4 19.286 9.442 1.276 29 HE3 LYS 4 HE2 LYS 4 20.373 8.225 0.611 30 HZ1 LYS 4 HZ1 LYS 4 21.414 9.925 -0.734 31 HZ2 LYS 4 HZ2 LYS 4 21.466 10.366 0.896 32 HZ3 LYS 4 HZ3 LYS 4 20.349 11.097 -0.142 33 H GLN 5 H GLN 5 19.354 4.586 -3.534 34 HA GLN 5 HA GLN 5 17.117 5.699 -4.865 35 HB2 GLN 5 HB3 GLN 5 18.489 3.042 -5.326 36 HB3 GLN 5 HB2 GLN 5 17.370 3.821 -6.437 37 HG2 GLN 5 HG3 GLN 5 20.057 4.875 -5.589 38 HG3 GLN 5 HG2 GLN 5 19.663 4.149 -7.145 39 HE21 GLN 5 HE21 GLN 5 20.698 6.806 -6.497 40 HE22 GLN 5 HE22 GLN 5 19.577 7.931 -7.178 41 H LEU 6 H LEU 6 17.612 2.761 -2.964 42 HA LEU 6 HA LEU 6 14.999 1.744 -3.221 43 HB2 LEU 6 HB3 LEU 6 17.318 1.244 -1.462 44 HB3 LEU 6 HB2 LEU 6 15.757 0.760 -0.831 45 HG LEU 6 HG LEU 6 16.894 -1.103 -1.931 46 HD11 LEU 6 HD11 LEU 6 14.443 -0.998 -1.938 47 HD12 LEU 6 HD12 LEU 6 15.080 -1.825 -3.358 48 HD13 LEU 6 HD13 LEU 6 14.493 -0.168 -3.494 49 HD21 LEU 6 HD21 LEU 6 16.729 0.583 -4.425 50 HD22 LEU 6 HD22 LEU 6 17.243 -1.102 -4.350 51 HD23 LEU 6 HD23 LEU 6 18.203 0.149 -3.560 52 H GLU 7 H GLU 7 16.339 4.226 -1.172 53 HA GLU 7 HA GLU 7 14.281 4.386 0.737 54 HB2 GLU 7 HB3 GLU 7 15.953 6.622 -0.431 55 HB3 GLU 7 HB2 GLU 7 14.962 6.752 1.013 56 HG2 GLU 7 HG3 GLU 7 17.356 4.963 0.658 57 HG3 GLU 7 HG2 GLU 7 17.299 6.466 1.576 58 H ASP 8 H ASP 8 14.545 5.555 -2.554 59 HA ASP 8 HA ASP 8 12.152 7.117 -2.488 60 HB2 ASP 8 HB3 ASP 8 13.777 6.017 -4.787 61 HB3 ASP 8 HB2 ASP 8 12.348 7.021 -5.005 62 H LYS 9 H LYS 9 12.977 3.821 -3.370 63 HA LYS 9 HA LYS 9 10.528 3.059 -4.512 64 HB2 LYS 9 HB3 LYS 9 12.768 1.562 -3.205 65 HB3 LYS 9 HB2 LYS 9 11.275 0.717 -3.570 66 HG2 LYS 9 HG3 LYS 9 12.860 0.351 -5.332 67 HG3 LYS 9 HG2 LYS 9 11.532 1.337 -5.940 68 HD2 LYS 9 HD3 LYS 9 12.857 3.306 -5.881 69 HD3 LYS 9 HD2 LYS 9 14.128 2.501 -4.961 70 HE2 LYS 9 HE3 LYS 9 14.761 2.761 -7.303 71 HE3 LYS 9 HE2 LYS 9 14.610 1.061 -6.867 72 HZ1 LYS 9 HZ1 LYS 9 12.541 2.644 -8.289 73 HZ2 LYS 9 HZ2 LYS 9 12.458 0.998 -7.924 74 HZ3 LYS 9 HZ3 LYS 9 13.610 1.563 -9.021 75 H VAL 10 H VAL 10 11.724 2.615 -1.182 76 HA VAL 10 HA VAL 10 9.374 1.384 -0.252 77 HB VAL 10 HB VAL 10 11.519 1.161 0.918 78 HG11 VAL 10 HG11 VAL 10 11.097 4.022 1.766 79 HG12 VAL 10 HG12 VAL 10 12.364 3.424 0.696 80 HG13 VAL 10 HG13 VAL 10 12.339 2.935 2.390 81 HG21 VAL 10 HG21 VAL 10 9.486 0.644 2.123 82 HG22 VAL 10 HG22 VAL 10 9.314 2.329 2.609 83 HG23 VAL 10 HG23 VAL 10 10.664 1.371 3.215 84 H GLU 11 H GLU 11 10.349 4.788 -0.334 85 HA GLU 11 HA GLU 11 8.100 5.680 1.193 86 HB2 GLU 11 HB3 GLU 11 10.020 7.157 -0.603 87 HB3 GLU 11 HB2 GLU 11 8.745 7.947 0.315 88 HG2 GLU 11 HG3 GLU 11 9.728 7.111 2.389 89 HG3 GLU 11 HG2 GLU 11 11.013 6.338 1.465 90 H GLU 12 H GLU 12 8.785 5.278 -2.233 91 HA GLU 12 HA GLU 12 6.517 6.549 -3.267 92 HB2 GLU 12 HB3 GLU 12 8.383 5.775 -4.668 93 HB3 GLU 12 HB2 GLU 12 7.931 4.106 -4.350 94 HG2 GLU 12 HG3 GLU 12 5.800 4.460 -5.468 95 HG3 GLU 12 HG2 GLU 12 6.231 6.142 -5.770 96 H LEU 13 H LEU 13 6.934 3.049 -2.604 97 HA LEU 13 HA LEU 13 4.162 2.556 -2.943 98 HB2 LEU 13 HB3 LEU 13 6.343 0.850 -1.770 99 HB3 LEU 13 HB2 LEU 13 4.668 0.335 -1.817 100 HG LEU 13 HG LEU 13 4.802 0.856 -4.343 101 HD11 LEU 13 HD11 LEU 13 6.952 1.988 -4.319 102 HD12 LEU 13 HD12 LEU 13 7.009 0.544 -5.330 103 HD13 LEU 13 HD13 LEU 13 7.730 0.523 -3.721 104 HD21 LEU 13 HD21 LEU 13 5.710 -1.413 -4.775 105 HD22 LEU 13 HD22 LEU 13 4.475 -1.361 -3.518 106 HD23 LEU 13 HD23 LEU 13 6.177 -1.502 -3.077 107 H LEU 14 H LEU 14 6.043 3.465 -0.121 108 HA LEU 14 HA LEU 14 4.111 2.995 1.832 109 HB2 LEU 14 HB3 LEU 14 6.382 3.736 2.351 110 HB3 LEU 14 HB2 LEU 14 6.092 5.274 1.582 111 HG LEU 14 HG LEU 14 6.116 5.249 4.098 112 HD11 LEU 14 HD11 LEU 14 5.208 7.114 2.846 113 HD12 LEU 14 HD12 LEU 14 4.287 6.833 4.324 114 HD13 LEU 14 HD13 LEU 14 3.640 6.312 2.768 115 HD21 LEU 14 HD21 LEU 14 4.846 3.183 4.423 116 HD22 LEU 14 HD22 LEU 14 3.416 3.967 3.751 117 HD23 LEU 14 HD23 LEU 14 4.111 4.548 5.262 118 H SER 15 H SER 15 4.520 5.662 -0.426 119 HA SER 15 HA SER 15 2.214 7.101 0.380 120 HB2 SER 15 HB3 SER 15 3.583 7.128 -2.322 121 HB3 SER 15 HB2 SER 15 2.554 8.389 -1.643 122 HG SER 15 HG SER 15 5.134 7.576 -0.782 123 H LYS 16 H LYS 16 2.849 4.520 -1.920 124 HA LYS 16 HA LYS 16 0.389 4.542 -3.268 125 HB2 LYS 16 HB3 LYS 16 2.406 3.301 -4.004 126 HB3 LYS 16 HB2 LYS 16 2.163 2.166 -2.687 127 HG2 LYS 16 HG3 LYS 16 0.144 1.360 -3.646 128 HG3 LYS 16 HG2 LYS 16 0.133 2.650 -4.852 129 HD2 LYS 16 HD3 LYS 16 2.156 1.748 -5.863 130 HD3 LYS 16 HD2 LYS 16 2.232 0.491 -4.626 131 HE2 LYS 16 HE3 LYS 16 0.179 -0.476 -5.411 132 HE3 LYS 16 HE2 LYS 16 -0.062 0.849 -6.547 133 HZ1 LYS 16 HZ1 LYS 16 0.809 -1.168 -7.600 134 HZ2 LYS 16 HZ2 LYS 16 2.201 -1.074 -6.645 135 HZ3 LYS 16 HZ3 LYS 16 1.864 0.142 -7.771 136 H ASN 17 H ASN 17 1.408 2.510 -0.470 137 HA ASN 17 HA ASN 17 -1.187 1.406 -0.138 138 HB2 ASN 17 HB3 ASN 17 -0.422 0.488 1.957 139 HB3 ASN 17 HB2 ASN 17 0.862 0.319 0.768 140 HD21 ASN 17 HD21 ASN 17 -0.194 2.032 3.623 141 HD22 ASN 17 HD22 ASN 17 1.358 2.654 4.055 142 H TYR 18 H TYR 18 0.309 4.338 0.940 143 HA TYR 18 HA TYR 18 -1.501 5.035 2.985 144 HB2 TYR 18 HB3 TYR 18 0.629 6.213 2.626 145 HB3 TYR 18 HB2 TYR 18 0.038 6.825 1.087 146 HD1 TYR 18 HD1 TYR 18 -0.567 6.942 4.747 147 HD2 TYR 18 HD2 TYR 18 -1.182 8.828 0.985 148 HE1 TYR 18 HE1 TYR 18 -1.454 8.926 5.893 149 HE2 TYR 18 HE2 TYR 18 -2.073 10.817 2.121 150 HH TYR 18 HH TYR 18 -3.126 11.387 4.276 151 H HIS 19 H HIS 19 -1.442 5.871 -0.472 152 HA HIS 19 HA HIS 19 -3.948 7.204 -0.444 153 HB2 HIS 19 HB3 HIS 19 -2.351 6.009 -2.716 154 HB3 HIS 19 HB2 HIS 19 -3.831 6.933 -2.948 155 HD1 HIS 19 HD1 HIS 19 -0.352 7.401 -3.127 156 HD2 HIS 19 HD2 HIS 19 -3.464 9.605 -1.473 157 HE1 HIS 19 HE1 HIS 19 0.528 9.741 -2.894 158 HE2 HIS 19 HE2 HIS 19 -1.414 11.083 -2.012 159 H LEU 20 H LEU 20 -2.974 3.886 -0.983 160 HA LEU 20 HA LEU 20 -5.478 2.907 -1.856 161 HB2 LEU 20 HB3 LEU 20 -2.916 1.819 -1.027 162 HB3 LEU 20 HB2 LEU 20 -4.251 0.835 -0.477 163 HG LEU 20 HG LEU 20 -3.334 0.072 -2.637 164 HD11 LEU 20 HD11 LEU 20 -6.139 1.154 -2.804 165 HD12 LEU 20 HD12 LEU 20 -5.660 -0.384 -2.086 166 HD13 LEU 20 HD13 LEU 20 -5.459 -0.117 -3.819 167 HD21 LEU 20 HD21 LEU 20 -4.337 2.717 -3.675 168 HD22 LEU 20 HD22 LEU 20 -3.718 1.388 -4.654 169 HD23 LEU 20 HD23 LEU 20 -2.646 2.234 -3.536 170 H GLU 21 H GLU 21 -4.036 3.314 1.348 171 HA GLU 21 HA GLU 21 -6.096 2.111 2.842 172 HB2 GLU 21 HB3 GLU 21 -3.794 2.820 3.657 173 HB3 GLU 21 HB2 GLU 21 -4.407 4.464 3.715 174 HG2 GLU 21 HG3 GLU 21 -5.757 2.250 5.208 175 HG3 GLU 21 HG2 GLU 21 -4.360 3.088 5.877 176 H ASN 22 H ASN 22 -5.583 5.425 1.745 177 HA ASN 22 HA ASN 22 -7.915 6.563 2.822 178 HB2 ASN 22 HB3 ASN 22 -6.439 7.321 0.291 179 HB3 ASN 22 HB2 ASN 22 -7.633 8.321 1.109 180 HD21 ASN 22 HD21 ASN 22 -6.667 7.558 3.777 181 HD22 ASN 22 HD22 ASN 22 -5.185 8.420 3.997 182 H GLU 23 H GLU 23 -7.361 4.542 0.092 183 HA GLU 23 HA GLU 23 -9.750 5.200 -1.337 184 HB2 GLU 23 HB3 GLU 23 -7.600 4.341 -2.354 185 HB3 GLU 23 HB2 GLU 23 -7.998 2.754 -1.662 186 HG2 GLU 23 HG3 GLU 23 -8.634 2.771 -3.957 187 HG3 GLU 23 HG2 GLU 23 -10.099 2.780 -2.978 188 H VAL 24 H VAL 24 -8.743 2.647 0.901 189 HA VAL 24 HA VAL 24 -11.158 1.149 0.681 190 HB VAL 24 HB VAL 24 -9.237 1.199 3.028 191 HG11 VAL 24 HG11 VAL 24 -10.132 -0.979 3.569 192 HG12 VAL 24 HG12 VAL 24 -11.174 -0.949 2.148 193 HG13 VAL 24 HG13 VAL 24 -11.456 0.182 3.475 194 HG21 VAL 24 HG21 VAL 24 -8.081 0.673 0.942 195 HG22 VAL 24 HG22 VAL 24 -9.253 -0.603 0.613 196 HG23 VAL 24 HG23 VAL 24 -8.175 -0.731 2.003 197 H ALA 25 H ALA 25 -10.044 3.750 2.774 198 HA ALA 25 HA ALA 25 -12.102 3.590 4.688 199 HB1 ALA 25 HB1 ALA 25 -9.964 4.788 5.014 200 HB2 ALA 25 HB2 ALA 25 -11.380 5.743 5.450 201 HB3 ALA 25 HB3 ALA 25 -10.547 6.050 3.928 202 H ARG 26 H ARG 26 -11.889 5.409 1.653 203 HA ARG 26 HA ARG 26 -14.258 6.887 2.073 204 HB2 ARG 26 HB3 ARG 26 -14.178 7.114 -0.479 205 HB3 ARG 26 HB2 ARG 26 -12.877 7.819 0.459 206 HG2 ARG 26 HG3 ARG 26 -11.482 5.872 -0.066 207 HG3 ARG 26 HG2 ARG 26 -12.789 5.207 -1.050 208 HD2 ARG 26 HD2 ARG 26 -11.512 7.899 -1.511 209 HD3 ARG 26 HD1 ARG 26 -11.031 6.421 -2.340 210 HE ARG 26 HE ARG 26 -13.800 6.801 -2.649 211 HH11 ARG 26 HH11 ARG 26 -10.766 8.213 -3.668 212 HH12 ARG 26 HH12 ARG 26 -11.386 8.754 -5.195 213 HH21 ARG 26 HH21 ARG 26 -14.621 7.507 -4.661 214 HH22 ARG 26 HH22 ARG 26 -13.582 8.359 -5.757 215 H LEU 27 H LEU 27 -13.624 3.813 0.427 216 HA LEU 27 HA LEU 27 -16.276 3.397 -0.438 217 HB2 LEU 27 HB3 LEU 27 -13.947 1.593 0.028 218 HB3 LEU 27 HB2 LEU 27 -15.531 0.891 -0.203 219 HG LEU 27 HG LEU 27 -15.723 1.941 -2.389 220 HD11 LEU 27 HD11 LEU 27 -14.419 3.955 -1.981 221 HD12 LEU 27 HD12 LEU 27 -13.824 3.094 -3.402 222 HD13 LEU 27 HD13 LEU 27 -12.947 2.990 -1.875 223 HD21 LEU 27 HD21 LEU 27 -13.172 0.409 -1.973 224 HD22 LEU 27 HD22 LEU 27 -13.952 0.676 -3.531 225 HD23 LEU 27 HD23 LEU 27 -14.774 -0.260 -2.285 226 H LYS 28 H LYS 28 -14.674 2.751 2.625 227 HA LYS 28 HA LYS 28 -16.597 1.197 3.880 228 HB2 LYS 28 HB3 LYS 28 -14.829 3.369 4.998 229 HB3 LYS 28 HB2 LYS 28 -15.856 2.363 6.009 230 HG2 LYS 28 HG3 LYS 28 -13.673 1.338 4.206 231 HG3 LYS 28 HG2 LYS 28 -13.523 1.597 5.944 232 HD2 LYS 28 HD3 LYS 28 -15.391 -0.007 6.286 233 HD3 LYS 28 HD2 LYS 28 -15.379 -0.331 4.553 234 HE2 LYS 28 HE3 LYS 28 -14.133 -2.045 5.713 235 HE3 LYS 28 HE2 LYS 28 -13.038 -1.074 4.731 236 HZ1 LYS 28 HZ1 LYS 28 -12.138 -1.527 6.932 237 HZ2 LYS 28 HZ2 LYS 28 -13.456 -0.751 7.652 238 HZ3 LYS 28 HZ3 LYS 28 -12.373 0.130 6.700 239 H LYS 29 H LYS 29 -16.560 4.687 3.349 240 HA LYS 29 HA LYS 29 -18.906 5.178 4.879 241 HB2 LYS 29 HB3 LYS 29 -17.419 6.978 4.599 242 HB3 LYS 29 HB2 LYS 29 -17.394 6.809 2.852 243 HG2 LYS 29 HG3 LYS 29 -19.706 7.585 2.750 244 HG3 LYS 29 HG2 LYS 29 -19.739 7.734 4.507 245 HD2 LYS 29 HD3 LYS 29 -17.944 9.397 4.395 246 HD3 LYS 29 HD2 LYS 29 -17.918 9.248 2.637 247 HE2 LYS 29 HE3 LYS 29 -20.207 10.057 2.515 248 HE3 LYS 29 HE2 LYS 29 -20.289 10.145 4.272 249 HZ1 LYS 29 HZ1 LYS 29 -18.547 11.814 4.234 250 HZ2 LYS 29 HZ2 LYS 29 -19.869 12.307 3.303 251 HZ3 LYS 29 HZ3 LYS 29 -18.470 11.733 2.545 252 H LEU 30 H LEU 30 -18.289 4.322 1.557 253 HA LEU 30 HA LEU 30 -20.955 4.827 0.662 254 HB2 LEU 30 HB3 LEU 30 -18.826 3.026 -0.480 255 HB3 LEU 30 HB2 LEU 30 -20.334 3.434 -1.268 256 HG LEU 30 HG LEU 30 -18.130 5.378 -0.585 257 HD11 LEU 30 HD11 LEU 30 -17.849 5.515 -3.022 258 HD12 LEU 30 HD12 LEU 30 -19.036 4.227 -3.219 259 HD13 LEU 30 HD13 LEU 30 -17.508 3.902 -2.399 260 HD21 LEU 30 HD21 LEU 30 -19.443 6.977 -1.915 261 HD22 LEU 30 HD22 LEU 30 -20.304 6.451 -0.470 262 HD23 LEU 30 HD23 LEU 30 -20.738 5.788 -2.044 263 H VAL 31 H VAL 31 -19.250 2.129 2.092 264 HA VAL 31 HA VAL 31 -21.371 0.255 1.660 265 HB VAL 31 HB VAL 31 -18.990 0.053 3.526 266 HG11 VAL 31 HG11 VAL 31 -19.428 -2.344 3.526 267 HG12 VAL 31 HG12 VAL 31 -20.858 -2.094 2.526 268 HG13 VAL 31 HG13 VAL 31 -20.810 -1.456 4.169 269 HG21 VAL 31 HG21 VAL 31 -18.036 -1.369 1.760 270 HG22 VAL 31 HG22 VAL 31 -18.294 0.291 1.224 271 HG23 VAL 31 HG23 VAL 31 -19.411 -0.978 0.726 272 H GLY 32 H GLY 32 -20.495 2.488 4.258 273 HA2 GLY 32 HA3 GLY 32 -23.091 2.360 5.359 274 HA3 GLY 32 HA2 GLY 32 -22.022 1.345 6.305 275 H GLU 33 H GLU 33 -20.878 4.311 4.788 276 HA GLU 33 HA GLU 33 -20.173 6.286 5.634 277 HB2 GLU 33 HB3 GLU 33 -22.492 5.840 7.511 278 HB3 GLU 33 HB2 GLU 33 -21.633 7.363 7.330 279 HG2 GLU 33 HG3 GLU 33 -22.320 7.511 5.015 280 HG3 GLU 33 HG2 GLU 33 -23.110 5.940 5.128 281 H1 GLY 1 H1 GLY 1 24.926 -6.049 2.315 282 H2 GLY 1 H2 GLY 1 25.576 -5.571 3.798 283 H3 GLY 1 H3 GLY 1 26.504 -5.451 2.391 284 HA2 GLY 1 HA2 GLY 1 25.679 -3.285 3.063 285 HA3 GLY 1 HA3 GLY 1 25.038 -3.778 1.503 286 H SER 2 H SER 2 23.656 -1.860 2.705 287 HA SER 2 HA SER 2 21.523 -3.089 4.273 288 HB2 SER 2 HB3 SER 2 22.034 -0.191 3.563 289 HB3 SER 2 HB2 SER 2 20.737 -0.768 4.611 290 HG SER 2 HG SER 2 23.312 -1.619 5.234 291 H MET 3 H MET 3 22.210 -2.543 1.062 292 HA MET 3 HA MET 3 19.730 -1.690 0.037 293 HB2 MET 3 HB3 MET 3 21.803 -1.712 -1.297 294 HB3 MET 3 HB2 MET 3 21.811 -3.469 -1.252 295 HG2 MET 3 HG3 MET 3 19.701 -3.505 -2.493 296 HG3 MET 3 HG2 MET 3 19.718 -1.744 -2.556 297 HE1 MET 3 HE1 MET 3 19.435 -1.902 -5.220 298 HE2 MET 3 HE2 MET 3 19.451 -3.662 -5.110 299 HE3 MET 3 HE3 MET 3 20.514 -2.840 -6.252 300 H LYS 4 H LYS 4 21.013 -4.895 0.786 301 HA LYS 4 HA LYS 4 18.863 -6.407 -0.212 302 HB2 LYS 4 HB3 LYS 4 21.019 -7.411 0.373 303 HB3 LYS 4 HB2 LYS 4 20.755 -7.025 2.066 304 HG2 LYS 4 HG3 LYS 4 20.321 -9.375 1.616 305 HG3 LYS 4 HG2 LYS 4 18.855 -8.547 2.134 306 HD2 LYS 4 HD3 LYS 4 18.350 -10.034 0.295 307 HD3 LYS 4 HD2 LYS 4 18.159 -8.363 -0.226 308 HE2 LYS 4 HE3 LYS 4 19.285 -9.661 -1.938 309 HE3 LYS 4 HE2 LYS 4 20.375 -8.448 -1.275 310 HZ1 LYS 4 HZ1 LYS 4 21.401 -10.154 0.086 311 HZ2 LYS 4 HZ2 LYS 4 21.461 -10.593 -1.544 312 HZ3 LYS 4 HZ3 LYS 4 20.334 -11.319 -0.516 313 H GLN 5 H GLN 5 19.382 -4.788 2.856 314 HA GLN 5 HA GLN 5 17.147 -5.889 4.198 315 HB2 GLN 5 HB3 GLN 5 18.523 -3.230 4.642 316 HB3 GLN 5 HB2 GLN 5 17.410 -4.007 5.762 317 HG2 GLN 5 HG3 GLN 5 20.095 -5.066 4.903 318 HG3 GLN 5 HG2 GLN 5 19.711 -4.328 6.457 319 HE21 GLN 5 HE21 GLN 5 20.736 -6.997 5.808 320 HE22 GLN 5 HE22 GLN 5 19.619 -8.114 6.511 321 H LEU 6 H LEU 6 17.642 -2.957 2.286 322 HA LEU 6 HA LEU 6 15.032 -1.934 2.548 323 HB2 LEU 6 HB3 LEU 6 17.343 -1.448 0.777 324 HB3 LEU 6 HB2 LEU 6 15.781 -0.962 0.151 325 HG LEU 6 HG LEU 6 16.930 0.902 1.239 326 HD11 LEU 6 HD11 LEU 6 14.478 0.804 1.254 327 HD12 LEU 6 HD12 LEU 6 15.122 1.637 2.668 328 HD13 LEU 6 HD13 LEU 6 14.531 -0.018 2.815 329 HD21 LEU 6 HD21 LEU 6 16.767 -0.771 3.742 330 HD22 LEU 6 HD22 LEU 6 17.289 0.911 3.656 331 HD23 LEU 6 HD23 LEU 6 18.240 -0.348 2.870 332 H GLU 7 H GLU 7 16.354 -4.429 0.509 333 HA GLU 7 HA GLU 7 14.291 -4.589 -1.395 334 HB2 GLU 7 HB3 GLU 7 15.963 -6.825 -0.228 335 HB3 GLU 7 HB2 GLU 7 14.963 -6.959 -1.665 336 HG2 GLU 7 HG3 GLU 7 17.361 -5.174 -1.330 337 HG3 GLU 7 HG2 GLU 7 17.299 -6.679 -2.244 338 H ASP 8 H ASP 8 14.559 -5.740 1.902 339 HA ASP 8 HA ASP 8 12.157 -7.297 1.844 340 HB2 ASP 8 HB3 ASP 8 13.798 -6.200 4.133 341 HB3 ASP 8 HB2 ASP 8 12.366 -7.199 4.361 342 H LYS 9 H LYS 9 13.005 -4.005 2.721 343 HA LYS 9 HA LYS 9 10.564 -3.223 3.866 344 HB2 LYS 9 HB3 LYS 9 12.803 -1.741 2.539 345 HB3 LYS 9 HB2 LYS 9 11.315 -0.890 2.911 346 HG2 LYS 9 HG3 LYS 9 12.914 -0.523 4.662 347 HG3 LYS 9 HG2 LYS 9 11.586 -1.502 5.280 348 HD2 LYS 9 HD3 LYS 9 12.901 -3.476 5.224 349 HD3 LYS 9 HD2 LYS 9 14.172 -2.680 4.294 350 HE2 LYS 9 HE3 LYS 9 14.813 -2.930 6.635 351 HE3 LYS 9 HE2 LYS 9 14.665 -1.232 6.191 352 HZ1 LYS 9 HZ1 LYS 9 12.599 -2.810 7.624 353 HZ2 LYS 9 HZ2 LYS 9 12.511 -1.164 7.247 354 HZ3 LYS 9 HZ3 LYS 9 13.667 -1.717 8.347 355 H VAL 10 H VAL 10 11.748 -2.799 0.528 356 HA VAL 10 HA VAL 10 9.398 -1.567 -0.397 357 HB VAL 10 HB VAL 10 11.536 -1.355 -1.578 358 HG11 VAL 10 HG11 VAL 10 11.105 -4.218 -2.414 359 HG12 VAL 10 HG12 VAL 10 12.377 -3.620 -1.348 360 HG13 VAL 10 HG13 VAL 10 12.348 -3.137 -3.044 361 HG21 VAL 10 HG21 VAL 10 9.498 -0.836 -2.772 362 HG22 VAL 10 HG22 VAL 10 9.320 -2.524 -3.253 363 HG23 VAL 10 HG23 VAL 10 10.668 -1.568 -3.869 364 H GLU 11 H GLU 11 10.357 -4.973 -0.301 365 HA GLU 11 HA GLU 11 8.100 -5.866 -1.817 366 HB2 GLU 11 HB3 GLU 11 10.024 -7.340 -0.021 367 HB3 GLU 11 HB2 GLU 11 8.744 -8.130 -0.934 368 HG2 GLU 11 HG3 GLU 11 9.720 -7.307 -3.009 369 HG3 GLU 11 HG2 GLU 11 11.009 -6.528 -2.095 370 H GLU 12 H GLU 12 8.808 -5.464 1.606 371 HA GLU 12 HA GLU 12 6.537 -6.710 2.653 372 HB2 GLU 12 HB3 GLU 12 8.412 -5.933 4.046 373 HB3 GLU 12 HB2 GLU 12 7.959 -4.265 3.720 374 HG2 GLU 12 HG3 GLU 12 5.835 -4.604 4.855 375 HG3 GLU 12 HG2 GLU 12 6.254 -6.290 5.153 376 H LEU 13 H LEU 13 6.965 -3.211 1.975 377 HA LEU 13 HA LEU 13 4.194 -2.712 2.323 378 HB2 LEU 13 HB3 LEU 13 6.371 -1.013 1.132 379 HB3 LEU 13 HB2 LEU 13 4.698 -0.494 1.187 380 HG LEU 13 HG LEU 13 4.842 -1.007 3.713 381 HD11 LEU 13 HD11 LEU 13 6.991 -2.144 3.686 382 HD12 LEU 13 HD12 LEU 13 7.058 -0.695 4.688 383 HD13 LEU 13 HD13 LEU 13 7.770 -0.685 3.075 384 HD21 LEU 13 HD21 LEU 13 5.761 1.260 4.132 385 HD22 LEU 13 HD22 LEU 13 4.516 1.208 2.885 386 HD23 LEU 13 HD23 LEU 13 6.218 1.342 2.430 387 H LEU 14 H LEU 14 6.054 -3.641 -0.503 388 HA LEU 14 HA LEU 14 4.115 -3.165 -2.450 389 HB2 LEU 14 HB3 LEU 14 6.381 -3.916 -2.976 390 HB3 LEU 14 HB2 LEU 14 6.089 -5.449 -2.198 391 HG LEU 14 HG LEU 14 6.103 -5.435 -4.715 392 HD11 LEU 14 HD11 LEU 14 5.201 -7.294 -3.455 393 HD12 LEU 14 HD12 LEU 14 4.269 -7.015 -4.926 394 HD13 LEU 14 HD13 LEU 14 3.633 -6.490 -3.368 395 HD21 LEU 14 HD21 LEU 14 4.832 -3.370 -5.046 396 HD22 LEU 14 HD22 LEU 14 3.402 -4.148 -4.366 397 HD23 LEU 14 HD23 LEU 14 4.093 -4.737 -5.877 398 H SER 15 H SER 15 4.529 -5.820 -0.179 399 HA SER 15 HA SER 15 2.215 -7.257 -0.973 400 HB2 SER 15 HB3 SER 15 3.596 -7.285 1.723 401 HB3 SER 15 HB2 SER 15 2.559 -8.545 1.049 402 HG SER 15 HG SER 15 5.145 -7.744 0.202 403 H LYS 16 H LYS 16 2.868 -4.675 1.320 404 HA LYS 16 HA LYS 16 0.412 -4.684 2.671 405 HB2 LYS 16 HB3 LYS 16 2.434 -3.455 3.403 406 HB3 LYS 16 HB2 LYS 16 2.199 -2.323 2.081 407 HG2 LYS 16 HG3 LYS 16 0.183 -1.500 3.039 408 HG3 LYS 16 HG2 LYS 16 0.169 -2.782 4.252 409 HD2 LYS 16 HD3 LYS 16 2.201 -1.887 5.248 410 HD3 LYS 16 HD2 LYS 16 2.277 -0.636 4.006 411 HE2 LYS 16 HE3 LYS 16 0.229 0.340 4.795 412 HE3 LYS 16 HE2 LYS 16 -0.006 -0.976 5.943 413 HZ1 LYS 16 HZ1 LYS 16 0.880 1.045 6.979 414 HZ2 LYS 16 HZ2 LYS 16 2.262 0.940 6.009 415 HZ3 LYS 16 HZ3 LYS 16 1.934 -0.267 7.143 416 H ASN 17 H ASN 17 1.429 -2.669 -0.139 417 HA ASN 17 HA ASN 17 -1.164 -1.552 -0.462 418 HB2 ASN 17 HB3 ASN 17 -0.406 -0.645 -2.564 419 HB3 ASN 17 HB2 ASN 17 0.883 -0.475 -1.382 420 HD21 ASN 17 HD21 ASN 17 -0.189 -2.210 -4.224 421 HD22 ASN 17 HD22 ASN 17 1.362 -2.834 -4.657 422 H TYR 18 H TYR 18 0.317 -4.495 -1.543 423 HA TYR 18 HA TYR 18 -1.509 -5.192 -3.572 424 HB2 TYR 18 HB3 TYR 18 0.618 -6.373 -3.224 425 HB3 TYR 18 HB2 TYR 18 0.041 -6.977 -1.677 426 HD1 TYR 18 HD1 TYR 18 -0.585 -7.114 -5.332 427 HD2 TYR 18 HD2 TYR 18 -1.188 -8.981 -1.556 428 HE1 TYR 18 HE1 TYR 18 -1.483 -9.101 -6.465 429 HE2 TYR 18 HE2 TYR 18 -2.091 -10.972 -2.680 430 HH TYR 18 HH TYR 18 -3.157 -11.549 -4.821 431 H HIS 19 H HIS 19 -1.433 -6.013 -0.112 432 HA HIS 19 HA HIS 19 -3.944 -7.340 -0.122 433 HB2 HIS 19 HB3 HIS 19 -2.331 -6.147 2.139 434 HB3 HIS 19 HB2 HIS 19 -3.815 -7.063 2.378 435 HD1 HIS 19 HD1 HIS 19 -0.336 -7.541 2.534 436 HD2 HIS 19 HD2 HIS 19 -3.465 -9.752 0.922 437 HE1 HIS 19 HE1 HIS 19 0.536 -9.887 2.317 438 HE2 HIS 19 HE2 HIS 19 -1.420 -11.231 1.478 439 H LEU 20 H LEU 20 -2.956 -4.022 0.398 440 HA LEU 20 HA LEU 20 -5.452 -3.034 1.282 441 HB2 LEU 20 HB3 LEU 20 -2.893 -1.958 0.439 442 HB3 LEU 20 HB2 LEU 20 -4.226 -0.969 -0.112 443 HG LEU 20 HG LEU 20 -3.298 -0.203 2.042 444 HD11 LEU 20 HD11 LEU 20 -6.107 -1.275 2.224 445 HD12 LEU 20 HD12 LEU 20 -5.626 0.260 1.502 446 HD13 LEU 20 HD13 LEU 20 -5.417 -0.005 3.233 447 HD21 LEU 20 HD21 LEU 20 -4.309 -2.840 3.094 448 HD22 LEU 20 HD22 LEU 20 -3.681 -1.510 4.066 449 HD23 LEU 20 HD23 LEU 20 -2.616 -2.364 2.948 450 H GLU 21 H GLU 21 -4.031 -3.464 -1.923 451 HA GLU 21 HA GLU 21 -6.092 -2.254 -3.415 452 HB2 GLU 21 HB3 GLU 21 -3.797 -2.982 -4.231 453 HB3 GLU 21 HB2 GLU 21 -4.423 -4.619 -4.286 454 HG2 GLU 21 HG3 GLU 21 -5.760 -2.397 -5.775 455 HG3 GLU 21 HG2 GLU 21 -4.370 -3.242 -6.446 456 H ASN 22 H ASN 22 -5.588 -5.566 -2.306 457 HA ASN 22 HA ASN 22 -7.930 -6.700 -3.368 458 HB2 ASN 22 HB3 ASN 22 -6.446 -7.451 -0.840 459 HB3 ASN 22 HB2 ASN 22 -7.643 -8.452 -1.650 460 HD21 ASN 22 HD21 ASN 22 -6.682 -7.705 -4.323 461 HD22 ASN 22 HD22 ASN 22 -5.194 -8.560 -4.541 462 H GLU 23 H GLU 23 -7.353 -4.663 -0.660 463 HA GLU 23 HA GLU 23 -9.735 -5.311 0.789 464 HB2 GLU 23 HB3 GLU 23 -7.577 -4.453 1.792 465 HB3 GLU 23 HB2 GLU 23 -7.976 -2.869 1.099 466 HG2 GLU 23 HG3 GLU 23 -8.596 -2.886 3.402 467 HG3 GLU 23 HG2 GLU 23 -10.065 -2.881 2.427 468 H VAL 24 H VAL 24 -8.736 -2.773 -1.468 469 HA VAL 24 HA VAL 24 -11.144 -1.265 -1.237 470 HB VAL 24 HB VAL 24 -9.237 -1.332 -3.593 471 HG11 VAL 24 HG11 VAL 24 -10.121 0.848 -4.137 472 HG12 VAL 24 HG12 VAL 24 -11.158 0.828 -2.709 473 HG13 VAL 24 HG13 VAL 24 -11.452 -0.306 -4.031 474 HG21 VAL 24 HG21 VAL 24 -8.064 -0.804 -1.517 475 HG22 VAL 24 HG22 VAL 24 -9.229 0.479 -1.186 476 HG23 VAL 24 HG23 VAL 24 -8.160 0.597 -2.582 477 H ALA 25 H ALA 25 -10.046 -3.876 -3.329 478 HA ALA 25 HA ALA 25 -12.110 -3.720 -5.236 479 HB1 ALA 25 HB1 ALA 25 -9.976 -4.931 -5.559 480 HB2 ALA 25 HB2 ALA 25 -11.399 -5.881 -5.988 481 HB3 ALA 25 HB3 ALA 25 -10.565 -6.184 -4.465 482 H ARG 26 H ARG 26 -11.890 -5.522 -2.191 483 HA ARG 26 HA ARG 26 -14.263 -7.001 -2.597 484 HB2 ARG 26 HB3 ARG 26 -14.176 -7.223 -0.047 485 HB3 ARG 26 HB2 ARG 26 -12.877 -7.933 -0.983 486 HG2 ARG 26 HG3 ARG 26 -11.479 -5.984 -0.466 487 HG3 ARG 26 HG2 ARG 26 -12.786 -5.318 0.519 488 HD2 ARG 26 HD2 ARG 26 -11.511 -8.008 0.983 489 HD3 ARG 26 HD1 ARG 26 -11.018 -6.531 1.804 490 HE ARG 26 HE ARG 26 -13.790 -6.901 2.133 491 HH11 ARG 26 HH11 ARG 26 -10.757 -8.333 3.133 492 HH12 ARG 26 HH12 ARG 26 -11.363 -8.852 4.673 493 HH21 ARG 26 HH21 ARG 26 -14.594 -7.588 4.160 494 HH22 ARG 26 HH22 ARG 26 -13.549 -8.435 5.255 495 H LEU 27 H LEU 27 -13.612 -3.923 -0.959 496 HA LEU 27 HA LEU 27 -16.260 -3.496 -0.088 497 HB2 LEU 27 HB3 LEU 27 -13.931 -1.695 -0.570 498 HB3 LEU 27 HB2 LEU 27 -15.515 -0.994 -0.331 499 HG LEU 27 HG LEU 27 -15.694 -2.040 1.857 500 HD11 LEU 27 HD11 LEU 27 -14.394 -4.053 1.452 501 HD12 LEU 27 HD12 LEU 27 -13.788 -3.186 2.864 502 HD13 LEU 27 HD13 LEU 27 -12.922 -3.089 1.330 503 HD21 LEU 27 HD21 LEU 27 -13.148 -0.503 1.427 504 HD22 LEU 27 HD22 LEU 27 -13.921 -0.771 2.988 505 HD23 LEU 27 HD23 LEU 27 -14.751 0.162 1.744 506 H LYS 28 H LYS 28 -14.669 -2.859 -3.158 507 HA LYS 28 HA LYS 28 -16.594 -1.309 -4.411 508 HB2 LYS 28 HB3 LYS 28 -14.838 -3.490 -5.528 509 HB3 LYS 28 HB2 LYS 28 -15.864 -2.487 -6.539 510 HG2 LYS 28 HG3 LYS 28 -13.672 -1.462 -4.748 511 HG3 LYS 28 HG2 LYS 28 -13.529 -1.729 -6.485 512 HD2 LYS 28 HD3 LYS 28 -15.386 -0.117 -6.833 513 HD3 LYS 28 HD2 LYS 28 -15.379 0.210 -5.099 514 HE2 LYS 28 HE3 LYS 28 -14.123 1.919 -6.261 515 HE3 LYS 28 HE2 LYS 28 -13.033 0.946 -5.274 516 HZ1 LYS 28 HZ1 LYS 28 -12.124 1.386 -7.472 517 HZ2 LYS 28 HZ2 LYS 28 -13.447 0.624 -8.194 518 HZ3 LYS 28 HZ3 LYS 28 -12.376 -0.268 -7.240 519 H LYS 29 H LYS 29 -16.569 -4.792 -3.859 520 HA LYS 29 HA LYS 29 -18.918 -5.285 -5.385 521 HB2 LYS 29 HB3 LYS 29 -17.439 -7.091 -5.105 522 HB3 LYS 29 HB2 LYS 29 -17.402 -6.917 -3.359 523 HG2 LYS 29 HG3 LYS 29 -19.720 -7.682 -3.241 524 HG3 LYS 29 HG2 LYS 29 -19.760 -7.839 -4.997 525 HD2 LYS 29 HD3 LYS 29 -17.967 -9.504 -4.886 526 HD3 LYS 29 HD2 LYS 29 -17.937 -9.349 -3.129 527 HE2 LYS 29 HE3 LYS 29 -20.229 -10.150 -3.001 528 HE3 LYS 29 HE2 LYS 29 -20.311 -10.248 -4.759 529 HZ1 LYS 29 HZ1 LYS 29 -18.572 -11.923 -4.707 530 HZ2 LYS 29 HZ2 LYS 29 -19.891 -12.408 -3.774 531 HZ3 LYS 29 HZ3 LYS 29 -18.492 -11.830 -3.022 532 H LEU 30 H LEU 30 -18.288 -4.412 -2.068 533 HA LEU 30 HA LEU 30 -20.955 -4.916 -1.166 534 HB2 LEU 30 HB3 LEU 30 -18.815 -3.117 -0.030 535 HB3 LEU 30 HB2 LEU 30 -20.320 -3.526 0.765 536 HG LEU 30 HG LEU 30 -18.118 -5.471 0.073 537 HD11 LEU 30 HD11 LEU 30 -17.821 -5.600 2.509 538 HD12 LEU 30 HD12 LEU 30 -19.009 -4.314 2.710 539 HD13 LEU 30 HD13 LEU 30 -17.487 -3.986 1.883 540 HD21 LEU 30 HD21 LEU 30 -19.427 -7.061 1.418 541 HD22 LEU 30 HD22 LEU 30 -20.292 -6.541 -0.028 542 HD23 LEU 30 HD23 LEU 30 -20.719 -5.869 1.545 543 H VAL 31 H VAL 31 -19.245 -2.228 -2.610 544 HA VAL 31 HA VAL 31 -21.357 -0.344 -2.174 545 HB VAL 31 HB VAL 31 -18.983 -0.152 -4.050 546 HG11 VAL 31 HG11 VAL 31 -19.412 2.244 -4.054 547 HG12 VAL 31 HG12 VAL 31 -20.836 2.004 -3.040 548 HG13 VAL 31 HG13 VAL 31 -20.804 1.360 -4.682 549 HG21 VAL 31 HG21 VAL 31 -18.015 1.269 -2.292 550 HG22 VAL 31 HG22 VAL 31 -18.278 -0.387 -1.749 551 HG23 VAL 31 HG23 VAL 31 -19.387 0.888 -1.252 552 H GLY 32 H GLY 32 -20.495 -2.590 -4.761 553 HA2 GLY 32 HA3 GLY 32 -23.094 -2.453 -5.853 554 HA3 GLY 32 HA2 GLY 32 -22.021 -1.449 -6.808 555 H GLU 33 H GLU 33 -20.890 -4.416 -5.284 556 HA GLU 33 HA GLU 33 -20.203 -6.395 -6.126 557 HB2 GLU 33 HB3 GLU 33 -22.527 -5.943 -7.996 558 HB3 GLU 33 HB2 GLU 33 -21.674 -7.469 -7.810 559 HG2 GLU 33 HG3 GLU 33 -22.351 -7.607 -5.494 560 HG3 GLU 33 HG2 GLU 33 -23.136 -6.032 -5.608 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 26.312 -0.815 -5.224 2 H2 GLY 1 H2 GLY 1 24.967 -1.207 -6.170 3 H3 GLY 1 H3 GLY 1 24.793 -0.985 -4.504 4 HA2 GLY 1 HA2 GLY 1 25.383 1.342 -4.723 5 HA3 GLY 1 HA3 GLY 1 25.557 1.111 -6.456 6 H SER 2 H SER 2 23.879 3.029 -5.613 7 HA SER 2 HA SER 2 21.829 3.848 -6.233 8 HB2 SER 2 HB3 SER 2 21.212 1.019 -7.119 9 HB3 SER 2 HB2 SER 2 20.224 2.440 -7.457 10 HG SER 2 HG SER 2 22.358 3.256 -8.387 11 H MET 3 H MET 3 22.537 2.722 -3.647 12 HA MET 3 HA MET 3 20.347 1.403 -2.465 13 HB2 MET 3 HB3 MET 3 22.519 1.409 -1.413 14 HB3 MET 3 HB2 MET 3 22.498 3.160 -1.287 15 HG2 MET 3 HG3 MET 3 20.598 3.000 0.269 16 HG3 MET 3 HG2 MET 3 20.678 1.243 0.158 17 HE1 MET 3 HE1 MET 3 22.009 1.888 3.766 18 HE2 MET 3 HE2 MET 3 20.878 0.970 2.773 19 HE3 MET 3 HE3 MET 3 20.703 2.719 2.922 20 H LYS 4 H LYS 4 21.052 4.788 -3.054 21 HA LYS 4 HA LYS 4 19.027 5.900 -1.439 22 HB2 LYS 4 HB3 LYS 4 20.889 7.208 -2.430 23 HB3 LYS 4 HB2 LYS 4 20.164 6.998 -4.016 24 HG2 LYS 4 HG3 LYS 4 18.219 8.256 -3.338 25 HG3 LYS 4 HG2 LYS 4 18.846 8.391 -1.698 26 HD2 LYS 4 HD3 LYS 4 19.292 10.464 -2.750 27 HD3 LYS 4 HD2 LYS 4 20.829 9.607 -2.681 28 HE2 LYS 4 HE3 LYS 4 19.091 9.442 -5.116 29 HE3 LYS 4 HE2 LYS 4 20.149 10.826 -4.863 30 HZ1 LYS 4 HZ1 LYS 4 21.251 9.193 -6.205 31 HZ2 LYS 4 HZ2 LYS 4 20.987 7.985 -5.056 32 HZ3 LYS 4 HZ3 LYS 4 22.024 9.268 -4.704 33 H GLN 5 H GLN 5 18.999 4.457 -4.614 34 HA GLN 5 HA GLN 5 16.468 5.410 -5.446 35 HB2 GLN 5 HB3 GLN 5 17.882 2.853 -6.229 36 HB3 GLN 5 HB2 GLN 5 16.529 3.580 -7.083 37 HG2 GLN 5 HG3 GLN 5 19.274 4.769 -6.750 38 HG3 GLN 5 HG2 GLN 5 18.612 4.052 -8.217 39 HE21 GLN 5 HE21 GLN 5 19.624 6.747 -7.703 40 HE22 GLN 5 HE22 GLN 5 18.338 7.823 -8.124 41 H LEU 6 H LEU 6 17.522 2.561 -3.648 42 HA LEU 6 HA LEU 6 14.993 1.333 -3.422 43 HB2 LEU 6 HB3 LEU 6 17.501 1.181 -1.782 44 HB3 LEU 6 HB2 LEU 6 16.043 0.371 -1.251 45 HG LEU 6 HG LEU 6 16.025 -0.899 -3.401 46 HD11 LEU 6 HD11 LEU 6 18.749 0.339 -3.759 47 HD12 LEU 6 HD12 LEU 6 17.332 0.625 -4.769 48 HD13 LEU 6 HD13 LEU 6 18.077 -0.974 -4.727 49 HD21 LEU 6 HD21 LEU 6 17.843 -2.410 -2.766 50 HD22 LEU 6 HD22 LEU 6 16.909 -1.882 -1.367 51 HD23 LEU 6 HD23 LEU 6 18.491 -1.173 -1.691 52 H GLU 7 H GLU 7 16.618 3.787 -1.476 53 HA GLU 7 HA GLU 7 14.750 3.990 0.602 54 HB2 GLU 7 HB3 GLU 7 16.467 6.139 -0.651 55 HB3 GLU 7 HB2 GLU 7 15.573 6.331 0.849 56 HG2 GLU 7 HG3 GLU 7 16.888 4.497 1.832 57 HG3 GLU 7 HG2 GLU 7 17.821 4.400 0.338 58 H ASP 8 H ASP 8 14.872 5.514 -2.580 59 HA ASP 8 HA ASP 8 12.613 7.170 -2.251 60 HB2 ASP 8 HB3 ASP 8 13.936 6.030 -4.706 61 HB3 ASP 8 HB2 ASP 8 12.521 7.072 -4.803 62 H LYS 9 H LYS 9 12.996 3.870 -3.421 63 HA LYS 9 HA LYS 9 10.366 3.523 -4.355 64 HB2 LYS 9 HB3 LYS 9 12.368 1.483 -3.384 65 HB3 LYS 9 HB2 LYS 9 10.864 1.087 -4.204 66 HG2 LYS 9 HG3 LYS 9 11.648 2.408 -6.154 67 HG3 LYS 9 HG2 LYS 9 13.192 2.624 -5.328 68 HD2 LYS 9 HD3 LYS 9 13.511 0.205 -5.277 69 HD3 LYS 9 HD2 LYS 9 11.955 -0.024 -6.077 70 HE2 LYS 9 HE3 LYS 9 12.813 1.301 -7.995 71 HE3 LYS 9 HE2 LYS 9 14.387 1.356 -7.203 72 HZ1 LYS 9 HZ1 LYS 9 14.436 -1.078 -7.279 73 HZ2 LYS 9 HZ2 LYS 9 14.334 -0.401 -8.823 74 HZ3 LYS 9 HZ3 LYS 9 12.964 -1.085 -8.110 75 H VAL 10 H VAL 10 11.844 2.562 -1.243 76 HA VAL 10 HA VAL 10 9.509 1.368 -0.233 77 HB VAL 10 HB VAL 10 11.703 0.906 0.739 78 HG11 VAL 10 HG11 VAL 10 12.779 2.484 2.264 79 HG12 VAL 10 HG12 VAL 10 11.573 3.702 1.851 80 HG13 VAL 10 HG13 VAL 10 12.693 3.119 0.620 81 HG21 VAL 10 HG21 VAL 10 11.064 0.979 3.114 82 HG22 VAL 10 HG22 VAL 10 9.749 0.423 2.079 83 HG23 VAL 10 HG23 VAL 10 9.741 2.071 2.708 84 H GLU 11 H GLU 11 10.668 4.704 -0.054 85 HA GLU 11 HA GLU 11 8.566 5.563 1.696 86 HB2 GLU 11 HB3 GLU 11 10.382 7.155 -0.121 87 HB3 GLU 11 HB2 GLU 11 9.315 7.845 1.094 88 HG2 GLU 11 HG3 GLU 11 11.647 6.012 1.601 89 HG3 GLU 11 HG2 GLU 11 11.593 7.747 1.900 90 H GLU 12 H GLU 12 9.054 5.422 -1.775 91 HA GLU 12 HA GLU 12 6.818 6.866 -2.616 92 HB2 GLU 12 HB3 GLU 12 8.615 6.071 -4.116 93 HB3 GLU 12 HB2 GLU 12 8.038 4.424 -3.916 94 HG2 GLU 12 HG3 GLU 12 7.279 5.317 -6.016 95 HG3 GLU 12 HG2 GLU 12 5.906 5.057 -4.942 96 H LEU 13 H LEU 13 7.077 3.309 -2.182 97 HA LEU 13 HA LEU 13 4.293 2.909 -2.470 98 HB2 LEU 13 HB3 LEU 13 6.443 1.145 -1.336 99 HB3 LEU 13 HB2 LEU 13 4.755 0.677 -1.308 100 HG LEU 13 HG LEU 13 4.760 1.106 -3.824 101 HD11 LEU 13 HD11 LEU 13 7.731 0.898 -3.383 102 HD12 LEU 13 HD12 LEU 13 6.857 2.307 -3.985 103 HD13 LEU 13 HD13 LEU 13 6.915 0.827 -4.945 104 HD21 LEU 13 HD21 LEU 13 5.650 -1.140 -4.281 105 HD22 LEU 13 HD22 LEU 13 4.597 -1.112 -2.864 106 HD23 LEU 13 HD23 LEU 13 6.350 -1.177 -2.663 107 H LEU 14 H LEU 14 6.252 3.578 0.374 108 HA LEU 14 HA LEU 14 4.362 3.177 2.365 109 HB2 LEU 14 HB3 LEU 14 6.685 3.763 2.808 110 HB3 LEU 14 HB2 LEU 14 6.466 5.334 2.080 111 HG LEU 14 HG LEU 14 6.603 5.234 4.597 112 HD11 LEU 14 HD11 LEU 14 4.929 6.966 4.931 113 HD12 LEU 14 HD12 LEU 14 4.183 6.543 3.390 114 HD13 LEU 14 HD13 LEU 14 5.819 7.203 3.426 115 HD21 LEU 14 HD21 LEU 14 3.788 4.197 4.336 116 HD22 LEU 14 HD22 LEU 14 4.592 4.676 5.830 117 HD23 LEU 14 HD23 LEU 14 5.171 3.276 4.928 118 H SER 15 H SER 15 4.799 5.876 0.156 119 HA SER 15 HA SER 15 2.560 7.352 1.156 120 HB2 SER 15 HB3 SER 15 4.018 7.626 -1.485 121 HB3 SER 15 HB2 SER 15 2.953 8.825 -0.751 122 HG SER 15 HG SER 15 5.429 7.880 0.294 123 H LYS 16 H LYS 16 3.123 5.024 -1.440 124 HA LYS 16 HA LYS 16 0.721 5.462 -2.839 125 HB2 LYS 16 HB3 LYS 16 2.795 4.224 -3.624 126 HB3 LYS 16 HB2 LYS 16 2.202 2.845 -2.712 127 HG2 LYS 16 HG3 LYS 16 0.323 2.599 -4.101 128 HG3 LYS 16 HG2 LYS 16 0.549 4.192 -4.823 129 HD2 LYS 16 HD3 LYS 16 1.282 2.562 -6.412 130 HD3 LYS 16 HD2 LYS 16 2.713 3.367 -5.767 131 HE2 LYS 16 HE3 LYS 16 3.259 1.081 -5.805 132 HE3 LYS 16 HE2 LYS 16 2.868 1.437 -4.124 133 HZ1 LYS 16 HZ1 LYS 16 0.610 0.577 -4.578 134 HZ2 LYS 16 HZ2 LYS 16 1.822 -0.591 -4.732 135 HZ3 LYS 16 HZ3 LYS 16 1.131 0.096 -6.114 136 H ASN 17 H ASN 17 1.504 2.984 -0.346 137 HA ASN 17 HA ASN 17 -1.112 1.882 -0.431 138 HB2 ASN 17 HB3 ASN 17 -0.512 0.711 1.674 139 HB3 ASN 17 HB2 ASN 17 0.651 0.484 0.389 140 HD21 ASN 17 HD21 ASN 17 0.433 3.308 2.512 141 HD22 ASN 17 HD22 ASN 17 1.963 3.052 3.266 142 H TYR 18 H TYR 18 0.154 4.670 1.072 143 HA TYR 18 HA TYR 18 -1.784 4.923 3.142 144 HB2 TYR 18 HB3 TYR 18 0.354 6.166 3.162 145 HB3 TYR 18 HB2 TYR 18 -0.166 7.069 1.744 146 HD1 TYR 18 HD1 TYR 18 -1.530 8.987 1.959 147 HD2 TYR 18 HD2 TYR 18 -0.921 6.445 5.317 148 HE1 TYR 18 HE1 TYR 18 -2.588 10.662 3.412 149 HE2 TYR 18 HE2 TYR 18 -1.978 8.115 6.777 150 HH TYR 18 HH TYR 18 -3.727 10.777 5.564 151 H HIS 19 H HIS 19 -1.515 6.025 -0.190 152 HA HIS 19 HA HIS 19 -3.972 7.464 -0.209 153 HB2 HIS 19 HB3 HIS 19 -2.354 6.324 -2.502 154 HB3 HIS 19 HB2 HIS 19 -3.704 7.441 -2.679 155 HD1 HIS 19 HD1 HIS 19 -0.355 7.687 -3.115 156 HD2 HIS 19 HD2 HIS 19 -2.899 9.710 -0.525 157 HE1 HIS 19 HE1 HIS 19 0.833 9.820 -2.528 158 HE2 HIS 19 HE2 HIS 19 -0.658 10.955 -0.848 159 H LEU 20 H LEU 20 -3.078 4.136 -0.722 160 HA LEU 20 HA LEU 20 -5.583 3.303 -1.792 161 HB2 LEU 20 HB3 LEU 20 -3.170 1.956 -0.724 162 HB3 LEU 20 HB2 LEU 20 -4.664 1.036 -0.693 163 HG LEU 20 HG LEU 20 -4.900 1.202 -3.078 164 HD11 LEU 20 HD11 LEU 20 -2.421 2.914 -3.048 165 HD12 LEU 20 HD12 LEU 20 -4.066 3.492 -3.325 166 HD13 LEU 20 HD13 LEU 20 -3.313 2.385 -4.476 167 HD21 LEU 20 HD21 LEU 20 -2.051 0.526 -2.371 168 HD22 LEU 20 HD22 LEU 20 -2.924 -0.007 -3.806 169 HD23 LEU 20 HD23 LEU 20 -3.433 -0.557 -2.210 170 H GLU 21 H GLU 21 -4.249 3.585 1.453 171 HA GLU 21 HA GLU 21 -6.393 2.416 2.855 172 HB2 GLU 21 HB3 GLU 21 -4.506 4.645 3.630 173 HB3 GLU 21 HB2 GLU 21 -5.685 3.958 4.735 174 HG2 GLU 21 HG3 GLU 21 -4.622 1.774 4.520 175 HG3 GLU 21 HG2 GLU 21 -3.435 2.461 3.412 176 H ASN 22 H ASN 22 -5.891 5.602 1.507 177 HA ASN 22 HA ASN 22 -8.210 6.829 2.543 178 HB2 ASN 22 HB3 ASN 22 -6.625 7.428 0.039 179 HB3 ASN 22 HB2 ASN 22 -7.901 8.460 0.673 180 HD21 ASN 22 HD21 ASN 22 -7.192 8.006 3.457 181 HD22 ASN 22 HD22 ASN 22 -5.733 8.886 3.731 182 H GLU 23 H GLU 23 -7.612 4.807 -0.266 183 HA GLU 23 HA GLU 23 -10.166 5.259 -1.466 184 HB2 GLU 23 HB3 GLU 23 -8.101 3.083 -1.860 185 HB3 GLU 23 HB2 GLU 23 -9.600 3.201 -2.807 186 HG2 GLU 23 HG3 GLU 23 -8.904 5.400 -3.616 187 HG3 GLU 23 HG2 GLU 23 -7.416 5.278 -2.677 188 H VAL 24 H VAL 24 -8.810 2.768 0.660 189 HA VAL 24 HA VAL 24 -11.073 1.108 0.732 190 HB VAL 24 HB VAL 24 -9.110 1.546 2.995 191 HG11 VAL 24 HG11 VAL 24 -9.716 -0.710 3.690 192 HG12 VAL 24 HG12 VAL 24 -10.861 -0.833 2.353 193 HG13 VAL 24 HG13 VAL 24 -11.137 0.332 3.650 194 HG21 VAL 24 HG21 VAL 24 -7.861 -0.346 2.084 195 HG22 VAL 24 HG22 VAL 24 -7.936 0.983 0.926 196 HG23 VAL 24 HG23 VAL 24 -8.973 -0.429 0.720 197 H ALA 25 H ALA 25 -10.184 3.973 2.579 198 HA ALA 25 HA ALA 25 -12.331 3.769 4.446 199 HB1 ALA 25 HB1 ALA 25 -11.707 5.964 5.179 200 HB2 ALA 25 HB2 ALA 25 -10.784 6.243 3.706 201 HB3 ALA 25 HB3 ALA 25 -10.240 5.036 4.871 202 H ARG 26 H ARG 26 -11.945 5.305 1.318 203 HA ARG 26 HA ARG 26 -14.235 6.954 1.431 204 HB2 ARG 26 HB3 ARG 26 -13.640 7.587 -0.667 205 HB3 ARG 26 HB2 ARG 26 -12.163 6.732 -0.277 206 HG2 ARG 26 HG3 ARG 26 -12.653 6.003 -2.410 207 HG3 ARG 26 HG2 ARG 26 -13.281 4.697 -1.406 208 HD2 ARG 26 HD2 ARG 26 -14.859 5.256 -3.172 209 HD3 ARG 26 HD1 ARG 26 -15.539 5.665 -1.599 210 HE ARG 26 HE ARG 26 -14.453 7.604 -3.540 211 HH11 ARG 26 HH11 ARG 26 -16.511 6.855 -0.791 212 HH12 ARG 26 HH12 ARG 26 -17.291 8.404 -0.799 213 HH21 ARG 26 HH21 ARG 26 -15.485 9.631 -3.545 214 HH22 ARG 26 HH22 ARG 26 -16.707 9.980 -2.365 215 H LEU 27 H LEU 27 -13.686 3.653 0.458 216 HA LEU 27 HA LEU 27 -16.336 3.205 -0.506 217 HB2 LEU 27 HB3 LEU 27 -14.070 1.394 0.231 218 HB3 LEU 27 HB2 LEU 27 -15.620 0.785 -0.298 219 HG LEU 27 HG LEU 27 -14.085 2.735 -1.950 220 HD11 LEU 27 HD11 LEU 27 -13.896 -0.240 -2.160 221 HD12 LEU 27 HD12 LEU 27 -12.686 0.777 -1.380 222 HD13 LEU 27 HD13 LEU 27 -13.019 0.966 -3.103 223 HD21 LEU 27 HD21 LEU 27 -16.109 0.625 -2.661 224 HD22 LEU 27 HD22 LEU 27 -15.381 1.795 -3.764 225 HD23 LEU 27 HD23 LEU 27 -16.456 2.344 -2.479 226 H LYS 28 H LYS 28 -14.657 2.378 2.522 227 HA LYS 28 HA LYS 28 -16.605 1.088 3.919 228 HB2 LYS 28 HB3 LYS 28 -14.768 3.277 4.893 229 HB3 LYS 28 HB2 LYS 28 -15.779 2.330 5.971 230 HG2 LYS 28 HG3 LYS 28 -13.611 1.250 4.180 231 HG3 LYS 28 HG2 LYS 28 -13.489 1.502 5.921 232 HD2 LYS 28 HD3 LYS 28 -15.409 -0.378 4.544 233 HD3 LYS 28 HD2 LYS 28 -13.923 -0.851 5.362 234 HE2 LYS 28 HE3 LYS 28 -16.267 0.520 6.674 235 HE3 LYS 28 HE2 LYS 28 -15.942 -1.209 6.739 236 HZ1 LYS 28 HZ1 LYS 28 -14.162 0.920 7.790 237 HZ2 LYS 28 HZ2 LYS 28 -13.866 -0.741 7.865 238 HZ3 LYS 28 HZ3 LYS 28 -15.162 -0.075 8.719 239 H LYS 29 H LYS 29 -16.366 4.613 3.526 240 HA LYS 29 HA LYS 29 -18.646 5.291 4.996 241 HB2 LYS 29 HB3 LYS 29 -17.438 6.736 2.635 242 HB3 LYS 29 HB2 LYS 29 -18.525 7.427 3.826 243 HG2 LYS 29 HG3 LYS 29 -16.872 7.085 5.574 244 HG3 LYS 29 HG2 LYS 29 -15.779 6.347 4.402 245 HD2 LYS 29 HD3 LYS 29 -15.763 8.468 3.135 246 HD3 LYS 29 HD2 LYS 29 -16.777 9.195 4.384 247 HE2 LYS 29 HE3 LYS 29 -15.014 8.686 6.046 248 HE3 LYS 29 HE2 LYS 29 -13.997 8.080 4.740 249 HZ1 LYS 29 HZ1 LYS 29 -15.025 10.853 4.982 250 HZ2 LYS 29 HZ2 LYS 29 -14.047 10.273 3.734 251 HZ3 LYS 29 HZ3 LYS 29 -13.444 10.356 5.311 252 H LEU 30 H LEU 30 -18.238 4.468 1.587 253 HA LEU 30 HA LEU 30 -20.870 5.085 0.763 254 HB2 LEU 30 HB3 LEU 30 -18.805 3.221 -0.377 255 HB3 LEU 30 HB2 LEU 30 -20.334 3.556 -1.163 256 HG LEU 30 HG LEU 30 -18.182 5.590 -0.568 257 HD11 LEU 30 HD11 LEU 30 -19.061 4.331 -3.161 258 HD12 LEU 30 HD12 LEU 30 -17.532 4.051 -2.330 259 HD13 LEU 30 HD13 LEU 30 -17.893 5.642 -3.000 260 HD21 LEU 30 HD21 LEU 30 -20.809 5.854 -2.029 261 HD22 LEU 30 HD22 LEU 30 -19.551 7.088 -1.960 262 HD23 LEU 30 HD23 LEU 30 -20.387 6.600 -0.486 263 H VAL 31 H VAL 31 -19.456 2.204 2.196 264 HA VAL 31 HA VAL 31 -21.792 0.590 1.684 265 HB VAL 31 HB VAL 31 -19.560 -0.032 3.627 266 HG11 VAL 31 HG11 VAL 31 -20.192 -2.348 3.246 267 HG12 VAL 31 HG12 VAL 31 -21.448 -1.838 2.120 268 HG13 VAL 31 HG13 VAL 31 -21.574 -1.421 3.829 269 HG21 VAL 31 HG21 VAL 31 -18.490 -1.261 1.803 270 HG22 VAL 31 HG22 VAL 31 -18.603 0.461 1.441 271 HG23 VAL 31 HG23 VAL 31 -19.722 -0.674 0.686 272 H GLY 32 H GLY 32 -20.660 2.690 4.213 273 HA2 GLY 32 HA3 GLY 32 -22.836 3.457 5.423 274 HA3 GLY 32 HA2 GLY 32 -22.816 1.795 5.992 275 H GLU 33 H GLU 33 -20.046 3.901 5.499 276 HA GLU 33 HA GLU 33 -18.379 4.603 6.858 277 HB2 GLU 33 HB3 GLU 33 -20.273 6.021 7.661 278 HB3 GLU 33 HB2 GLU 33 -20.557 4.843 8.932 279 HG2 GLU 33 HG3 GLU 33 -18.268 5.251 9.769 280 HG3 GLU 33 HG2 GLU 33 -18.083 6.510 8.547 281 H1 GLY 1 H1 GLY 1 26.326 0.631 4.502 282 H2 GLY 1 H2 GLY 1 24.987 1.024 5.458 283 H3 GLY 1 H3 GLY 1 24.803 0.804 3.794 284 HA2 GLY 1 HA2 GLY 1 25.392 -1.527 4.002 285 HA3 GLY 1 HA3 GLY 1 25.566 -1.297 5.736 286 H SER 2 H SER 2 23.894 -3.214 4.919 287 HA SER 2 HA SER 2 21.840 -4.031 5.542 288 HB2 SER 2 HB3 SER 2 21.228 -1.194 6.416 289 HB3 SER 2 HB2 SER 2 20.252 -2.618 6.779 290 HG SER 2 HG SER 2 22.360 -3.429 7.718 291 H MET 3 H MET 3 22.531 -2.918 2.953 292 HA MET 3 HA MET 3 20.346 -1.591 1.773 293 HB2 MET 3 HB3 MET 3 22.514 -1.605 0.715 294 HB3 MET 3 HB2 MET 3 22.490 -3.360 0.598 295 HG2 MET 3 HG3 MET 3 20.579 -3.198 -0.950 296 HG3 MET 3 HG2 MET 3 20.673 -1.441 -0.853 297 HE1 MET 3 HE1 MET 3 21.977 -2.099 -4.460 298 HE2 MET 3 HE2 MET 3 20.854 -1.181 -3.458 299 HE3 MET 3 HE3 MET 3 20.673 -2.928 -3.611 300 H LYS 4 H LYS 4 21.047 -4.972 2.376 301 HA LYS 4 HA LYS 4 19.017 -6.089 0.771 302 HB2 LYS 4 HB3 LYS 4 20.879 -7.398 1.760 303 HB3 LYS 4 HB2 LYS 4 20.161 -7.179 3.350 304 HG2 LYS 4 HG3 LYS 4 18.206 -8.432 2.683 305 HG3 LYS 4 HG2 LYS 4 18.827 -8.575 1.042 306 HD2 LYS 4 HD3 LYS 4 19.263 -10.645 2.101 307 HD3 LYS 4 HD2 LYS 4 20.804 -9.800 2.021 308 HE2 LYS 4 HE3 LYS 4 19.081 -9.617 4.464 309 HE3 LYS 4 HE2 LYS 4 20.132 -11.006 4.210 310 HZ1 LYS 4 HZ1 LYS 4 21.246 -9.368 5.541 311 HZ2 LYS 4 HZ2 LYS 4 20.982 -8.167 4.387 312 HZ3 LYS 4 HZ3 LYS 4 22.011 -9.458 4.037 313 H GLN 5 H GLN 5 18.997 -4.635 3.940 314 HA GLN 5 HA GLN 5 16.467 -5.580 4.786 315 HB2 GLN 5 HB3 GLN 5 17.889 -3.021 5.555 316 HB3 GLN 5 HB2 GLN 5 16.542 -3.747 6.419 317 HG2 GLN 5 HG3 GLN 5 19.283 -4.938 6.071 318 HG3 GLN 5 HG2 GLN 5 18.631 -4.219 7.542 319 HE21 GLN 5 HE21 GLN 5 19.637 -6.922 7.021 320 HE22 GLN 5 HE22 GLN 5 18.351 -7.994 7.455 321 H LEU 6 H LEU 6 17.521 -2.743 2.972 322 HA LEU 6 HA LEU 6 14.994 -1.508 2.752 323 HB2 LEU 6 HB3 LEU 6 17.496 -1.368 1.102 324 HB3 LEU 6 HB2 LEU 6 16.037 -0.556 0.576 325 HG LEU 6 HG LEU 6 16.035 0.721 2.722 326 HD11 LEU 6 HD11 LEU 6 18.755 -0.526 3.066 327 HD12 LEU 6 HD12 LEU 6 17.343 -0.800 4.086 328 HD13 LEU 6 HD13 LEU 6 18.096 0.794 4.031 329 HD21 LEU 6 HD21 LEU 6 17.853 2.227 2.076 330 HD22 LEU 6 HD22 LEU 6 16.913 1.701 0.681 331 HD23 LEU 6 HD23 LEU 6 18.494 0.987 0.999 332 H GLU 7 H GLU 7 16.605 -3.976 0.811 333 HA GLU 7 HA GLU 7 14.729 -4.176 -1.260 334 HB2 GLU 7 HB3 GLU 7 16.445 -6.327 -0.011 335 HB3 GLU 7 HB2 GLU 7 15.546 -6.518 -1.509 336 HG2 GLU 7 HG3 GLU 7 16.862 -4.687 -2.499 337 HG3 GLU 7 HG2 GLU 7 17.799 -4.588 -1.006 338 H ASP 8 H ASP 8 14.864 -5.695 1.923 339 HA ASP 8 HA ASP 8 12.595 -7.342 1.618 340 HB2 ASP 8 HB3 ASP 8 13.938 -6.192 4.060 341 HB3 ASP 8 HB2 ASP 8 12.521 -7.227 4.170 342 H LYS 9 H LYS 9 12.995 -4.036 2.767 343 HA LYS 9 HA LYS 9 10.370 -3.682 3.716 344 HB2 LYS 9 HB3 LYS 9 12.370 -1.647 2.728 345 HB3 LYS 9 HB2 LYS 9 10.870 -1.248 3.555 346 HG2 LYS 9 HG3 LYS 9 11.657 -2.560 5.506 347 HG3 LYS 9 HG2 LYS 9 13.198 -2.789 4.675 348 HD2 LYS 9 HD3 LYS 9 13.531 -0.372 4.612 349 HD3 LYS 9 HD2 LYS 9 11.978 -0.131 5.414 350 HE2 LYS 9 HE3 LYS 9 12.837 -1.456 7.335 351 HE3 LYS 9 HE2 LYS 9 14.410 -1.510 6.542 352 HZ1 LYS 9 HZ1 LYS 9 14.462 0.922 6.615 353 HZ2 LYS 9 HZ2 LYS 9 14.345 0.253 8.162 354 HZ3 LYS 9 HZ3 LYS 9 12.981 0.936 7.437 355 H VAL 10 H VAL 10 11.834 -2.740 0.591 356 HA VAL 10 HA VAL 10 9.498 -1.540 -0.413 357 HB VAL 10 HB VAL 10 11.688 -1.084 -1.394 358 HG11 VAL 10 HG11 VAL 10 12.756 -2.669 -2.919 359 HG12 VAL 10 HG12 VAL 10 11.550 -3.884 -2.497 360 HG13 VAL 10 HG13 VAL 10 12.677 -3.298 -1.272 361 HG21 VAL 10 HG21 VAL 10 11.037 -1.164 -3.767 362 HG22 VAL 10 HG22 VAL 10 9.728 -0.605 -2.726 363 HG23 VAL 10 HG23 VAL 10 9.714 -2.254 -3.351 364 H GLU 11 H GLU 11 10.651 -4.879 -0.586 365 HA GLU 11 HA GLU 11 8.541 -5.743 -2.323 366 HB2 GLU 11 HB3 GLU 11 10.370 -7.322 -0.503 367 HB3 GLU 11 HB2 GLU 11 9.295 -8.022 -1.705 368 HG2 GLU 11 HG3 GLU 11 11.625 -6.193 -2.242 369 HG3 GLU 11 HG2 GLU 11 11.562 -7.929 -2.538 370 H GLU 12 H GLU 12 9.044 -5.593 1.145 371 HA GLU 12 HA GLU 12 6.807 -7.022 2.002 372 HB2 GLU 12 HB3 GLU 12 8.613 -6.227 3.492 373 HB3 GLU 12 HB2 GLU 12 8.039 -4.578 3.291 374 HG2 GLU 12 HG3 GLU 12 7.283 -5.468 5.395 375 HG3 GLU 12 HG2 GLU 12 5.908 -5.204 4.324 376 H LEU 13 H LEU 13 7.073 -3.469 1.547 377 HA LEU 13 HA LEU 13 4.290 -3.061 1.855 378 HB2 LEU 13 HB3 LEU 13 6.440 -1.304 0.704 379 HB3 LEU 13 HB2 LEU 13 4.753 -0.832 0.681 380 HG LEU 13 HG LEU 13 4.767 -1.252 3.197 381 HD11 LEU 13 HD11 LEU 13 7.738 -1.059 2.745 382 HD12 LEU 13 HD12 LEU 13 6.858 -2.461 3.356 383 HD13 LEU 13 HD13 LEU 13 6.927 -0.979 4.309 384 HD21 LEU 13 HD21 LEU 13 5.662 0.993 3.648 385 HD22 LEU 13 HD22 LEU 13 4.606 0.961 2.235 386 HD23 LEU 13 HD23 LEU 13 6.357 1.024 2.026 387 H LEU 14 H LEU 14 6.233 -3.747 -0.996 388 HA LEU 14 HA LEU 14 4.336 -3.345 -2.980 389 HB2 LEU 14 HB3 LEU 14 6.654 -3.935 -3.433 390 HB3 LEU 14 HB2 LEU 14 6.441 -5.502 -2.697 391 HG LEU 14 HG LEU 14 6.565 -5.414 -5.216 392 HD11 LEU 14 HD11 LEU 14 4.889 -7.143 -5.541 393 HD12 LEU 14 HD12 LEU 14 4.147 -6.717 -3.998 394 HD13 LEU 14 HD13 LEU 14 5.781 -7.380 -4.038 395 HD21 LEU 14 HD21 LEU 14 3.755 -4.373 -4.944 396 HD22 LEU 14 HD22 LEU 14 4.550 -4.855 -6.441 397 HD23 LEU 14 HD23 LEU 14 5.136 -3.454 -5.543 398 H SER 15 H SER 15 4.774 -6.036 -0.760 399 HA SER 15 HA SER 15 2.526 -7.505 -1.752 400 HB2 SER 15 HB3 SER 15 4.004 -7.784 0.876 401 HB3 SER 15 HB2 SER 15 2.913 -8.973 0.163 402 HG SER 15 HG SER 15 5.395 -8.072 -0.903 403 H LYS 16 H LYS 16 3.109 -5.180 0.840 404 HA LYS 16 HA LYS 16 0.711 -5.603 2.243 405 HB2 LYS 16 HB3 LYS 16 2.793 -4.372 3.016 406 HB3 LYS 16 HB2 LYS 16 2.201 -2.991 2.104 407 HG2 LYS 16 HG3 LYS 16 0.325 -2.735 3.501 408 HG3 LYS 16 HG2 LYS 16 0.552 -4.328 4.227 409 HD2 LYS 16 HD3 LYS 16 1.298 -2.699 5.807 410 HD3 LYS 16 HD2 LYS 16 2.724 -3.506 5.159 411 HE2 LYS 16 HE3 LYS 16 3.270 -1.220 5.193 412 HE3 LYS 16 HE2 LYS 16 2.877 -1.578 3.513 413 HZ1 LYS 16 HZ1 LYS 16 0.620 -0.717 3.966 414 HZ2 LYS 16 HZ2 LYS 16 1.832 0.453 4.117 415 HZ3 LYS 16 HZ3 LYS 16 1.139 -0.234 5.500 416 H ASN 17 H ASN 17 1.489 -3.133 -0.261 417 HA ASN 17 HA ASN 17 -1.124 -2.027 -0.165 418 HB2 ASN 17 HB3 ASN 17 -0.529 -0.860 -2.275 419 HB3 ASN 17 HB2 ASN 17 0.635 -0.633 -0.992 420 HD21 ASN 17 HD21 ASN 17 0.410 -3.458 -3.109 421 HD22 ASN 17 HD22 ASN 17 1.936 -3.201 -3.872 422 H TYR 18 H TYR 18 0.131 -4.819 -1.669 423 HA TYR 18 HA TYR 18 -1.821 -5.078 -3.727 424 HB2 TYR 18 HB3 TYR 18 0.317 -6.325 -3.751 425 HB3 TYR 18 HB2 TYR 18 -0.198 -7.221 -2.327 426 HD1 TYR 18 HD1 TYR 18 -1.570 -9.140 -2.532 427 HD2 TYR 18 HD2 TYR 18 -0.963 -6.609 -5.900 428 HE1 TYR 18 HE1 TYR 18 -2.635 -10.816 -3.980 429 HE2 TYR 18 HE2 TYR 18 -2.028 -8.280 -7.354 430 HH TYR 18 HH TYR 18 -3.798 -10.905 -6.150 431 H HIS 19 H HIS 19 -1.533 -6.172 -0.391 432 HA HIS 19 HA HIS 19 -3.992 -7.604 -0.354 433 HB2 HIS 19 HB3 HIS 19 -2.363 -6.458 1.926 434 HB3 HIS 19 HB2 HIS 19 -3.717 -7.568 2.113 435 HD1 HIS 19 HD1 HIS 19 -0.362 -7.821 2.535 436 HD2 HIS 19 HD2 HIS 19 -2.936 -9.854 -0.023 437 HE1 HIS 19 HE1 HIS 19 0.816 -9.963 1.948 438 HE2 HIS 19 HE2 HIS 19 -0.690 -11.094 0.277 439 H LEU 20 H LEU 20 -3.094 -4.274 0.131 440 HA LEU 20 HA LEU 20 -5.591 -3.434 1.218 441 HB2 LEU 20 HB3 LEU 20 -3.180 -2.096 0.136 442 HB3 LEU 20 HB2 LEU 20 -4.670 -1.173 0.108 443 HG LEU 20 HG LEU 20 -4.899 -1.330 2.495 444 HD11 LEU 20 HD11 LEU 20 -2.426 -3.049 2.464 445 HD12 LEU 20 HD12 LEU 20 -4.071 -3.623 2.745 446 HD13 LEU 20 HD13 LEU 20 -3.313 -2.513 3.892 447 HD21 LEU 20 HD21 LEU 20 -2.051 -0.663 1.774 448 HD22 LEU 20 HD22 LEU 20 -2.915 -0.125 3.214 449 HD23 LEU 20 HD23 LEU 20 -3.431 0.422 1.619 450 H GLU 21 H GLU 21 -4.274 -3.733 -2.034 451 HA GLU 21 HA GLU 21 -6.418 -2.558 -3.430 452 HB2 GLU 21 HB3 GLU 21 -4.547 -4.797 -4.206 453 HB3 GLU 21 HB2 GLU 21 -5.728 -4.109 -5.309 454 HG2 GLU 21 HG3 GLU 21 -4.649 -1.930 -5.107 455 HG3 GLU 21 HG2 GLU 21 -3.460 -2.620 -4.004 456 H ASN 22 H ASN 22 -5.923 -5.745 -2.081 457 HA ASN 22 HA ASN 22 -8.250 -6.969 -3.095 458 HB2 ASN 22 HB3 ASN 22 -6.657 -7.559 -0.594 459 HB3 ASN 22 HB2 ASN 22 -7.939 -8.589 -1.216 460 HD21 ASN 22 HD21 ASN 22 -7.227 -8.133 -4.006 461 HD22 ASN 22 HD22 ASN 22 -5.775 -9.028 -4.283 462 H GLU 23 H GLU 23 -7.632 -4.946 -0.292 463 HA GLU 23 HA GLU 23 -10.180 -5.381 0.923 464 HB2 GLU 23 HB3 GLU 23 -8.108 -3.209 1.295 465 HB3 GLU 23 HB2 GLU 23 -9.602 -3.320 2.251 466 HG2 GLU 23 HG3 GLU 23 -8.903 -5.515 3.066 467 HG3 GLU 23 HG2 GLU 23 -7.420 -5.399 2.119 468 H VAL 24 H VAL 24 -8.828 -2.899 -1.218 469 HA VAL 24 HA VAL 24 -11.087 -1.234 -1.286 470 HB VAL 24 HB VAL 24 -9.132 -1.683 -3.553 471 HG11 VAL 24 HG11 VAL 24 -9.738 0.569 -4.255 472 HG12 VAL 24 HG12 VAL 24 -10.876 0.699 -2.914 473 HG13 VAL 24 HG13 VAL 24 -11.162 -0.470 -4.205 474 HG21 VAL 24 HG21 VAL 24 -7.880 0.208 -2.655 475 HG22 VAL 24 HG22 VAL 24 -7.954 -1.115 -1.491 476 HG23 VAL 24 HG23 VAL 24 -8.987 0.298 -1.286 477 H ALA 25 H ALA 25 -10.215 -4.110 -3.121 478 HA ALA 25 HA ALA 25 -12.366 -3.904 -4.987 479 HB1 ALA 25 HB1 ALA 25 -11.749 -6.103 -5.717 480 HB2 ALA 25 HB2 ALA 25 -10.823 -6.379 -4.244 481 HB3 ALA 25 HB3 ALA 25 -10.278 -5.178 -5.415 482 H ARG 26 H ARG 26 -11.971 -5.435 -1.856 483 HA ARG 26 HA ARG 26 -14.265 -7.077 -1.955 484 HB2 ARG 26 HB3 ARG 26 -13.660 -7.707 0.143 485 HB3 ARG 26 HB2 ARG 26 -12.186 -6.852 -0.257 486 HG2 ARG 26 HG3 ARG 26 -12.666 -6.118 1.876 487 HG3 ARG 26 HG2 ARG 26 -13.295 -4.815 0.872 488 HD2 ARG 26 HD2 ARG 26 -14.865 -5.365 2.647 489 HD3 ARG 26 HD1 ARG 26 -15.554 -5.776 1.079 490 HE ARG 26 HE ARG 26 -14.465 -7.716 3.018 491 HH11 ARG 26 HH11 ARG 26 -16.529 -6.964 0.280 492 HH12 ARG 26 HH12 ARG 26 -17.310 -8.512 0.289 493 HH21 ARG 26 HH21 ARG 26 -15.505 -9.744 3.027 494 HH22 ARG 26 HH22 ARG 26 -16.737 -10.088 1.855 495 H LEU 27 H LEU 27 -13.705 -3.775 -0.993 496 HA LEU 27 HA LEU 27 -16.351 -3.315 -0.023 497 HB2 LEU 27 HB3 LEU 27 -14.082 -1.514 -0.775 498 HB3 LEU 27 HB2 LEU 27 -15.629 -0.895 -0.240 499 HG LEU 27 HG LEU 27 -14.093 -2.848 1.411 500 HD11 LEU 27 HD11 LEU 27 -13.894 0.126 1.612 501 HD12 LEU 27 HD12 LEU 27 -12.691 -0.896 0.829 502 HD13 LEU 27 HD13 LEU 27 -13.016 -1.080 2.555 503 HD21 LEU 27 HD21 LEU 27 -16.106 -0.731 2.127 504 HD22 LEU 27 HD22 LEU 27 -15.377 -1.902 3.228 505 HD23 LEU 27 HD23 LEU 27 -16.458 -2.449 1.948 506 H LYS 28 H LYS 28 -14.680 -2.508 -3.061 507 HA LYS 28 HA LYS 28 -16.629 -1.210 -4.455 508 HB2 LYS 28 HB3 LYS 28 -14.804 -3.411 -5.427 509 HB3 LYS 28 HB2 LYS 28 -15.814 -2.462 -6.503 510 HG2 LYS 28 HG3 LYS 28 -13.635 -1.385 -4.724 511 HG3 LYS 28 HG2 LYS 28 -13.522 -1.643 -6.464 512 HD2 LYS 28 HD3 LYS 28 -15.434 0.245 -5.088 513 HD3 LYS 28 HD2 LYS 28 -13.948 0.711 -5.914 514 HE2 LYS 28 HE3 LYS 28 -16.302 -0.660 -7.213 515 HE3 LYS 28 HE2 LYS 28 -15.967 1.067 -7.289 516 HZ1 LYS 28 HZ1 LYS 28 -14.197 -1.076 -8.338 517 HZ2 LYS 28 HZ2 LYS 28 -13.898 0.587 -8.424 518 HZ3 LYS 28 HZ3 LYS 28 -15.200 -0.080 -9.267 519 H LYS 29 H LYS 29 -16.401 -4.734 -4.050 520 HA LYS 29 HA LYS 29 -18.692 -5.410 -5.506 521 HB2 LYS 29 HB3 LYS 29 -17.472 -6.857 -3.150 522 HB3 LYS 29 HB2 LYS 29 -18.567 -7.548 -4.335 523 HG2 LYS 29 HG3 LYS 29 -16.914 -7.221 -6.087 524 HG3 LYS 29 HG2 LYS 29 -15.819 -6.475 -4.922 525 HD2 LYS 29 HD3 LYS 29 -15.805 -8.592 -3.644 526 HD3 LYS 29 HD2 LYS 29 -16.819 -9.321 -4.890 527 HE2 LYS 29 HE3 LYS 29 -15.054 -8.820 -6.553 528 HE3 LYS 29 HE2 LYS 29 -14.038 -8.211 -5.250 529 HZ1 LYS 29 HZ1 LYS 29 -15.067 -10.985 -5.486 530 HZ2 LYS 29 HZ2 LYS 29 -14.086 -10.404 -4.241 531 HZ3 LYS 29 HZ3 LYS 29 -13.488 -10.488 -5.818 532 H LEU 30 H LEU 30 -18.261 -4.577 -2.102 533 HA LEU 30 HA LEU 30 -20.890 -5.191 -1.264 534 HB2 LEU 30 HB3 LEU 30 -18.818 -3.326 -0.137 535 HB3 LEU 30 HB2 LEU 30 -20.345 -3.656 0.656 536 HG LEU 30 HG LEU 30 -18.199 -5.695 0.056 537 HD11 LEU 30 HD11 LEU 30 -19.064 -4.426 2.648 538 HD12 LEU 30 HD12 LEU 30 -17.537 -4.155 1.810 539 HD13 LEU 30 HD13 LEU 30 -17.901 -5.741 2.485 540 HD21 LEU 30 HD21 LEU 30 -20.818 -5.952 1.531 541 HD22 LEU 30 HD22 LEU 30 -19.561 -7.186 1.460 542 HD23 LEU 30 HD23 LEU 30 -20.404 -6.703 -0.011 543 H VAL 31 H VAL 31 -19.478 -2.316 -2.713 544 HA VAL 31 HA VAL 31 -21.806 -0.696 -2.188 545 HB VAL 31 HB VAL 31 -19.584 -0.085 -4.149 546 HG11 VAL 31 HG11 VAL 31 -20.208 2.234 -3.772 547 HG12 VAL 31 HG12 VAL 31 -21.461 1.732 -2.639 548 HG13 VAL 31 HG13 VAL 31 -21.597 1.309 -4.347 549 HG21 VAL 31 HG21 VAL 31 -18.506 1.149 -2.334 550 HG22 VAL 31 HG22 VAL 31 -18.620 -0.573 -1.966 551 HG23 VAL 31 HG23 VAL 31 -19.735 0.566 -1.211 552 H GLY 32 H GLY 32 -20.702 -2.808 -4.712 553 HA2 GLY 32 HA3 GLY 32 -22.875 -3.567 -5.925 554 HA3 GLY 32 HA2 GLY 32 -22.853 -1.904 -6.496 555 H GLU 33 H GLU 33 -20.085 -4.027 -6.009 556 HA GLU 33 HA GLU 33 -18.428 -4.739 -7.375 557 HB2 GLU 33 HB3 GLU 33 -20.337 -6.147 -8.171 558 HB3 GLU 33 HB2 GLU 33 -20.616 -4.969 -9.446 559 HG2 GLU 33 HG3 GLU 33 -18.326 -5.392 -10.280 560 HG3 GLU 33 HG2 GLU 33 -18.151 -6.652 -9.059 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 23.873 8.892 -7.972 2 H2 GLY 1 H2 GLY 1 22.474 8.088 -8.477 3 H3 GLY 1 H3 GLY 1 23.836 7.203 -8.012 4 HA2 GLY 1 HA2 GLY 1 23.631 8.007 -5.748 5 HA3 GLY 1 HA3 GLY 1 22.216 8.931 -6.230 6 H SER 2 H SER 2 23.331 6.002 -5.010 7 HA SER 2 HA SER 2 21.167 4.359 -5.938 8 HB2 SER 2 HB3 SER 2 22.124 2.738 -4.230 9 HB3 SER 2 HB2 SER 2 23.229 3.246 -5.506 10 HG SER 2 HG SER 2 23.878 3.299 -3.115 11 H MET 3 H MET 3 22.053 5.860 -2.845 12 HA MET 3 HA MET 3 19.850 4.860 -1.398 13 HB2 MET 3 HB3 MET 3 21.887 6.979 -0.938 14 HB3 MET 3 HB2 MET 3 20.455 6.973 0.081 15 HG2 MET 3 HG3 MET 3 22.315 4.636 -0.289 16 HG3 MET 3 HG2 MET 3 22.353 5.761 1.069 17 HE1 MET 3 HE1 MET 3 22.162 3.683 2.751 18 HE2 MET 3 HE2 MET 3 22.115 2.583 1.372 19 HE3 MET 3 HE3 MET 3 20.895 2.460 2.639 20 H LYS 4 H LYS 4 20.246 7.728 -3.372 21 HA LYS 4 HA LYS 4 17.920 9.070 -2.480 22 HB2 LYS 4 HB3 LYS 4 19.467 9.216 -5.062 23 HB3 LYS 4 HB2 LYS 4 18.049 10.209 -4.756 24 HG2 LYS 4 HG3 LYS 4 20.596 10.209 -3.149 25 HG3 LYS 4 HG2 LYS 4 20.083 11.444 -4.298 26 HD2 LYS 4 HD3 LYS 4 18.069 11.828 -2.882 27 HD3 LYS 4 HD2 LYS 4 18.738 10.706 -1.699 28 HE2 LYS 4 HE3 LYS 4 19.238 12.971 -1.036 29 HE3 LYS 4 HE2 LYS 4 20.726 12.149 -1.500 30 HZ1 LYS 4 HZ1 LYS 4 20.649 13.251 -3.630 31 HZ2 LYS 4 HZ2 LYS 4 20.596 14.398 -2.392 32 HZ3 LYS 4 HZ3 LYS 4 19.186 14.001 -3.232 33 H GLN 5 H GLN 5 18.467 7.018 -5.334 34 HA GLN 5 HA GLN 5 15.762 6.988 -6.154 35 HB2 GLN 5 HB3 GLN 5 18.000 5.040 -6.729 36 HB3 GLN 5 HB2 GLN 5 16.443 5.038 -7.546 37 HG2 GLN 5 HG3 GLN 5 16.886 7.249 -8.440 38 HG3 GLN 5 HG2 GLN 5 18.421 7.307 -7.575 39 HE21 GLN 5 HE21 GLN 5 20.130 6.042 -8.277 40 HE22 GLN 5 HE22 GLN 5 20.167 5.337 -9.858 41 H LEU 6 H LEU 6 17.603 5.074 -3.905 42 HA LEU 6 HA LEU 6 15.759 2.939 -3.645 43 HB2 LEU 6 HB3 LEU 6 18.106 2.763 -2.976 44 HB3 LEU 6 HB2 LEU 6 17.852 3.949 -1.716 45 HG LEU 6 HG LEU 6 16.239 2.371 -0.644 46 HD11 LEU 6 HD11 LEU 6 15.694 1.067 -2.650 47 HD12 LEU 6 HD12 LEU 6 16.253 0.043 -1.330 48 HD13 LEU 6 HD13 LEU 6 17.335 0.425 -2.670 49 HD21 LEU 6 HD21 LEU 6 19.055 1.374 -1.056 50 HD22 LEU 6 HD22 LEU 6 17.981 0.913 0.264 51 HD23 LEU 6 HD23 LEU 6 18.541 2.579 0.125 52 H GLU 7 H GLU 7 16.231 5.968 -1.851 53 HA GLU 7 HA GLU 7 14.302 5.478 0.125 54 HB2 GLU 7 HB3 GLU 7 16.134 7.236 0.115 55 HB3 GLU 7 HB2 GLU 7 15.102 8.179 -0.951 56 HG2 GLU 7 HG3 GLU 7 13.374 8.240 0.751 57 HG3 GLU 7 HG2 GLU 7 14.380 7.248 1.803 58 H ASP 8 H ASP 8 14.155 6.958 -3.068 59 HA ASP 8 HA ASP 8 11.536 7.948 -2.931 60 HB2 ASP 8 HB3 ASP 8 13.336 7.170 -5.190 61 HB3 ASP 8 HB2 ASP 8 11.647 7.535 -5.521 62 H LYS 9 H LYS 9 12.752 4.750 -3.759 63 HA LYS 9 HA LYS 9 10.385 3.675 -4.801 64 HB2 LYS 9 HB3 LYS 9 12.676 2.336 -3.363 65 HB3 LYS 9 HB2 LYS 9 11.370 1.456 -4.146 66 HG2 LYS 9 HG3 LYS 9 11.982 2.399 -6.288 67 HG3 LYS 9 HG2 LYS 9 13.249 3.358 -5.522 68 HD2 LYS 9 HD3 LYS 9 14.393 1.314 -4.837 69 HD3 LYS 9 HD2 LYS 9 13.115 0.343 -5.571 70 HE2 LYS 9 HE3 LYS 9 15.045 0.469 -7.041 71 HE3 LYS 9 HE2 LYS 9 13.665 1.290 -7.763 72 HZ1 LYS 9 HZ1 LYS 9 15.639 2.600 -8.054 73 HZ2 LYS 9 HZ2 LYS 9 15.964 2.579 -6.396 74 HZ3 LYS 9 HZ3 LYS 9 14.606 3.404 -6.982 75 H VAL 10 H VAL 10 11.683 3.422 -1.494 76 HA VAL 10 HA VAL 10 9.398 2.032 -0.512 77 HB VAL 10 HB VAL 10 11.599 1.801 0.540 78 HG11 VAL 10 HG11 VAL 10 11.227 4.650 1.451 79 HG12 VAL 10 HG12 VAL 10 12.432 4.065 0.304 80 HG13 VAL 10 HG13 VAL 10 12.501 3.556 1.991 81 HG21 VAL 10 HG21 VAL 10 10.884 1.964 2.886 82 HG22 VAL 10 HG22 VAL 10 9.644 1.258 1.850 83 HG23 VAL 10 HG23 VAL 10 9.500 2.935 2.380 84 H GLU 11 H GLU 11 10.332 5.446 -0.608 85 HA GLU 11 HA GLU 11 8.223 6.382 1.036 86 HB2 GLU 11 HB3 GLU 11 9.884 7.722 -1.090 87 HB3 GLU 11 HB2 GLU 11 8.625 8.574 -0.205 88 HG2 GLU 11 HG3 GLU 11 10.995 7.212 1.052 89 HG3 GLU 11 HG2 GLU 11 10.876 8.938 0.717 90 H GLU 12 H GLU 12 8.533 6.014 -2.488 91 HA GLU 12 HA GLU 12 5.931 6.862 -3.113 92 HB2 GLU 12 HB3 GLU 12 7.848 5.026 -4.512 93 HB3 GLU 12 HB2 GLU 12 6.250 5.347 -5.167 94 HG2 GLU 12 HG3 GLU 12 8.397 7.378 -4.606 95 HG3 GLU 12 HG2 GLU 12 7.883 6.799 -6.190 96 H LEU 13 H LEU 13 7.074 3.641 -2.094 97 HA LEU 13 HA LEU 13 4.512 2.476 -2.410 98 HB2 LEU 13 HB3 LEU 13 7.091 1.668 -1.282 99 HB3 LEU 13 HB2 LEU 13 5.688 0.860 -0.596 100 HG LEU 13 HG LEU 13 5.907 1.104 -3.550 101 HD11 LEU 13 HD11 LEU 13 7.163 -1.012 -3.634 102 HD12 LEU 13 HD12 LEU 13 7.332 -0.975 -1.879 103 HD13 LEU 13 HD13 LEU 13 8.103 0.269 -2.865 104 HD21 LEU 13 HD21 LEU 13 4.804 -1.038 -1.736 105 HD22 LEU 13 HD22 LEU 13 4.667 -0.982 -3.492 106 HD23 LEU 13 HD23 LEU 13 3.867 0.241 -2.506 107 H LEU 14 H LEU 14 6.048 4.108 0.358 108 HA LEU 14 HA LEU 14 3.891 3.765 2.131 109 HB2 LEU 14 HB3 LEU 14 5.709 6.139 1.734 110 HB3 LEU 14 HB2 LEU 14 4.573 6.001 3.064 111 HG LEU 14 HG LEU 14 7.212 4.688 2.683 112 HD11 LEU 14 HD11 LEU 14 7.103 6.454 4.282 113 HD12 LEU 14 HD12 LEU 14 7.206 4.944 5.182 114 HD13 LEU 14 HD13 LEU 14 5.655 5.767 5.024 115 HD21 LEU 14 HD21 LEU 14 5.806 2.722 2.729 116 HD22 LEU 14 HD22 LEU 14 4.951 3.333 4.149 117 HD23 LEU 14 HD23 LEU 14 6.652 2.890 4.266 118 H SER 15 H SER 15 4.537 6.220 -0.323 119 HA SER 15 HA SER 15 2.223 7.699 -0.178 120 HB2 SER 15 HB3 SER 15 3.740 6.909 -2.677 121 HB3 SER 15 HB2 SER 15 2.598 8.247 -2.552 122 HG SER 15 HG SER 15 4.957 8.005 -0.980 123 H LYS 16 H LYS 16 2.781 4.716 -2.128 124 HA LYS 16 HA LYS 16 0.106 4.607 -3.025 125 HB2 LYS 16 HB3 LYS 16 2.300 2.580 -2.862 126 HB3 LYS 16 HB2 LYS 16 0.675 2.092 -3.330 127 HG2 LYS 16 HG3 LYS 16 0.744 3.806 -5.132 128 HG3 LYS 16 HG2 LYS 16 2.427 4.113 -4.708 129 HD2 LYS 16 HD3 LYS 16 1.394 1.391 -5.466 130 HD3 LYS 16 HD2 LYS 16 2.038 2.537 -6.642 131 HE2 LYS 16 HE3 LYS 16 3.537 1.508 -4.239 132 HE3 LYS 16 HE2 LYS 16 3.697 0.872 -5.873 133 HZ1 LYS 16 HZ1 LYS 16 5.447 2.454 -5.346 134 HZ2 LYS 16 HZ2 LYS 16 4.299 3.664 -5.061 135 HZ3 LYS 16 HZ3 LYS 16 4.482 3.019 -6.611 136 H ASN 17 H ASN 17 1.665 2.839 -0.329 137 HA ASN 17 HA ASN 17 -0.520 1.335 0.465 138 HB2 ASN 17 HB3 ASN 17 1.749 0.993 1.322 139 HB3 ASN 17 HB2 ASN 17 1.662 2.517 2.196 140 HD21 ASN 17 HD21 ASN 17 1.994 1.576 4.179 141 HD22 ASN 17 HD22 ASN 17 0.801 0.602 4.963 142 H TYR 18 H TYR 18 0.496 4.450 1.928 143 HA TYR 18 HA TYR 18 -1.726 4.537 3.669 144 HB2 TYR 18 HB3 TYR 18 0.238 6.655 2.813 145 HB3 TYR 18 HB2 TYR 18 -1.030 6.948 3.999 146 HD1 TYR 18 HD1 TYR 18 2.275 5.680 3.461 147 HD2 TYR 18 HD2 TYR 18 -1.062 5.490 6.092 148 HE1 TYR 18 HE1 TYR 18 3.728 4.792 5.233 149 HE2 TYR 18 HE2 TYR 18 0.386 4.604 7.872 150 HH TYR 18 HH TYR 18 2.516 3.405 8.084 151 H HIS 19 H HIS 19 -1.152 6.025 0.501 152 HA HIS 19 HA HIS 19 -3.578 7.550 0.612 153 HB2 HIS 19 HB3 HIS 19 -1.590 6.993 -1.567 154 HB3 HIS 19 HB2 HIS 19 -3.115 7.796 -1.920 155 HD1 HIS 19 HD1 HIS 19 -3.093 10.260 -1.694 156 HD2 HIS 19 HD2 HIS 19 -0.055 8.476 0.514 157 HE1 HIS 19 HE1 HIS 19 -1.757 12.157 -0.727 158 HE2 HIS 19 HE2 HIS 19 0.004 11.056 0.700 159 H LEU 20 H LEU 20 -2.712 4.357 -0.521 160 HA LEU 20 HA LEU 20 -5.140 3.899 -1.920 161 HB2 LEU 20 HB3 LEU 20 -3.164 2.526 -2.315 162 HB3 LEU 20 HB2 LEU 20 -3.182 1.981 -0.651 163 HG LEU 20 HG LEU 20 -5.322 0.854 -1.059 164 HD11 LEU 20 HD11 LEU 20 -6.120 0.566 -3.359 165 HD12 LEU 20 HD12 LEU 20 -4.890 1.699 -3.919 166 HD13 LEU 20 HD13 LEU 20 -6.180 2.252 -2.852 167 HD21 LEU 20 HD21 LEU 20 -4.422 -0.956 -2.423 168 HD22 LEU 20 HD22 LEU 20 -3.219 -0.357 -1.285 169 HD23 LEU 20 HD23 LEU 20 -3.132 0.103 -2.984 170 H GLU 21 H GLU 21 -4.013 3.494 1.399 171 HA GLU 21 HA GLU 21 -6.328 2.221 2.397 172 HB2 GLU 21 HB3 GLU 21 -4.135 2.456 3.600 173 HB3 GLU 21 HB2 GLU 21 -4.560 4.132 3.918 174 HG2 GLU 21 HG3 GLU 21 -6.476 3.454 5.204 175 HG3 GLU 21 HG2 GLU 21 -6.196 1.763 4.792 176 H ASN 22 H ASN 22 -5.574 5.579 1.752 177 HA ASN 22 HA ASN 22 -7.815 6.783 2.946 178 HB2 ASN 22 HB3 ASN 22 -6.269 7.581 0.473 179 HB3 ASN 22 HB2 ASN 22 -7.488 8.590 1.238 180 HD21 ASN 22 HD21 ASN 22 -6.753 7.882 3.936 181 HD22 ASN 22 HD22 ASN 22 -5.250 8.673 4.255 182 H GLU 23 H GLU 23 -7.359 5.112 -0.073 183 HA GLU 23 HA GLU 23 -9.824 5.898 -1.272 184 HB2 GLU 23 HB3 GLU 23 -7.885 5.212 -2.609 185 HB3 GLU 23 HB2 GLU 23 -7.977 3.583 -1.907 186 HG2 GLU 23 HG3 GLU 23 -10.229 3.347 -2.919 187 HG3 GLU 23 HG2 GLU 23 -9.999 4.907 -3.708 188 H VAL 24 H VAL 24 -8.741 3.100 0.604 189 HA VAL 24 HA VAL 24 -11.131 1.608 0.223 190 HB VAL 24 HB VAL 24 -10.213 -0.008 1.484 191 HG11 VAL 24 HG11 VAL 24 -7.759 1.697 1.375 192 HG12 VAL 24 HG12 VAL 24 -8.408 0.797 0.012 193 HG13 VAL 24 HG13 VAL 24 -7.838 -0.063 1.443 194 HG21 VAL 24 HG21 VAL 24 -10.616 1.080 3.617 195 HG22 VAL 24 HG22 VAL 24 -9.137 2.021 3.428 196 HG23 VAL 24 HG23 VAL 24 -9.050 0.270 3.612 197 H ALA 25 H ALA 25 -10.082 4.030 2.471 198 HA ALA 25 HA ALA 25 -12.181 3.841 4.333 199 HB1 ALA 25 HB1 ALA 25 -10.124 5.142 4.715 200 HB2 ALA 25 HB2 ALA 25 -11.584 6.085 5.012 201 HB3 ALA 25 HB3 ALA 25 -10.673 6.320 3.523 202 H ARG 26 H ARG 26 -11.925 5.382 1.204 203 HA ARG 26 HA ARG 26 -14.301 6.906 1.292 204 HB2 ARG 26 HB3 ARG 26 -12.981 5.618 -1.109 205 HB3 ARG 26 HB2 ARG 26 -14.192 6.890 -1.166 206 HG2 ARG 26 HG3 ARG 26 -11.409 7.116 -0.038 207 HG3 ARG 26 HG2 ARG 26 -11.994 7.802 -1.555 208 HD2 ARG 26 HD2 ARG 26 -13.636 9.139 -0.252 209 HD3 ARG 26 HD1 ARG 26 -12.897 8.530 1.228 210 HE ARG 26 HE ARG 26 -10.886 9.650 -0.360 211 HH11 ARG 26 HH11 ARG 26 -13.707 10.653 1.451 212 HH12 ARG 26 HH12 ARG 26 -13.091 12.240 1.777 213 HH21 ARG 26 HH21 ARG 26 -10.077 11.739 0.059 214 HH22 ARG 26 HH22 ARG 26 -11.024 12.860 0.984 215 H LEU 27 H LEU 27 -13.618 3.695 -0.048 216 HA LEU 27 HA LEU 27 -16.220 2.998 -0.769 217 HB2 LEU 27 HB3 LEU 27 -13.982 1.207 0.178 218 HB3 LEU 27 HB2 LEU 27 -15.440 0.678 -0.627 219 HG LEU 27 HG LEU 27 -13.696 2.648 -1.998 220 HD11 LEU 27 HD11 LEU 27 -12.334 0.943 -2.937 221 HD12 LEU 27 HD12 LEU 27 -13.260 -0.317 -2.125 222 HD13 LEU 27 HD13 LEU 27 -12.254 0.781 -1.182 223 HD21 LEU 27 HD21 LEU 27 -15.497 0.414 -2.894 224 HD22 LEU 27 HD22 LEU 27 -14.582 1.472 -3.970 225 HD23 LEU 27 HD23 LEU 27 -15.860 2.140 -2.954 226 H LYS 28 H LYS 28 -14.488 2.582 2.268 227 HA LYS 28 HA LYS 28 -16.306 1.095 3.710 228 HB2 LYS 28 HB3 LYS 28 -14.060 1.760 4.499 229 HB3 LYS 28 HB2 LYS 28 -14.636 3.404 4.723 230 HG2 LYS 28 HG3 LYS 28 -14.558 2.273 6.840 231 HG3 LYS 28 HG2 LYS 28 -16.239 2.586 6.404 232 HD2 LYS 28 HD3 LYS 28 -16.481 0.281 5.644 233 HD3 LYS 28 HD2 LYS 28 -14.788 -0.035 6.037 234 HE2 LYS 28 HE3 LYS 28 -15.231 0.409 8.384 235 HE3 LYS 28 HE2 LYS 28 -16.907 0.799 8.012 236 HZ1 LYS 28 HZ1 LYS 28 -15.601 -1.844 7.679 237 HZ2 LYS 28 HZ2 LYS 28 -17.184 -1.488 7.204 238 HZ3 LYS 28 HZ3 LYS 28 -16.762 -1.430 8.840 239 H LYS 29 H LYS 29 -16.330 4.591 3.112 240 HA LYS 29 HA LYS 29 -18.536 5.126 4.826 241 HB2 LYS 29 HB3 LYS 29 -17.593 6.806 2.501 242 HB3 LYS 29 HB2 LYS 29 -18.486 7.338 3.911 243 HG2 LYS 29 HG3 LYS 29 -15.628 6.417 3.821 244 HG3 LYS 29 HG2 LYS 29 -16.214 8.052 4.115 245 HD2 LYS 29 HD3 LYS 29 -16.741 5.678 5.901 246 HD3 LYS 29 HD2 LYS 29 -15.489 6.889 6.175 247 HE2 LYS 29 HE3 LYS 29 -17.175 8.621 6.373 248 HE3 LYS 29 HE2 LYS 29 -18.447 7.453 6.014 249 HZ1 LYS 29 HZ1 LYS 29 -18.274 7.859 8.381 250 HZ2 LYS 29 HZ2 LYS 29 -16.650 7.385 8.376 251 HZ3 LYS 29 HZ3 LYS 29 -17.864 6.255 8.025 252 H LEU 30 H LEU 30 -18.150 4.321 1.445 253 HA LEU 30 HA LEU 30 -20.846 4.919 0.713 254 HB2 LEU 30 HB3 LEU 30 -18.514 3.622 -0.601 255 HB3 LEU 30 HB2 LEU 30 -20.102 3.316 -1.272 256 HG LEU 30 HG LEU 30 -18.902 5.119 -2.439 257 HD11 LEU 30 HD11 LEU 30 -20.700 6.688 -2.544 258 HD12 LEU 30 HD12 LEU 30 -21.297 6.192 -0.966 259 HD13 LEU 30 HD13 LEU 30 -21.381 5.077 -2.328 260 HD21 LEU 30 HD21 LEU 30 -17.612 6.013 -0.594 261 HD22 LEU 30 HD22 LEU 30 -19.087 6.580 0.188 262 HD23 LEU 30 HD23 LEU 30 -18.576 7.283 -1.346 263 H VAL 31 H VAL 31 -19.151 2.107 1.907 264 HA VAL 31 HA VAL 31 -21.172 0.218 1.285 265 HB VAL 31 HB VAL 31 -19.024 0.091 3.421 266 HG11 VAL 31 HG11 VAL 31 -19.434 -2.322 3.446 267 HG12 VAL 31 HG12 VAL 31 -20.786 -2.104 2.334 268 HG13 VAL 31 HG13 VAL 31 -20.862 -1.423 3.959 269 HG21 VAL 31 HG21 VAL 31 -19.163 -1.079 0.646 270 HG22 VAL 31 HG22 VAL 31 -17.884 -1.381 1.822 271 HG23 VAL 31 HG23 VAL 31 -18.121 0.243 1.176 272 H GLY 32 H GLY 32 -20.710 2.448 3.968 273 HA2 GLY 32 HA3 GLY 32 -23.345 2.538 4.721 274 HA3 GLY 32 HA2 GLY 32 -22.682 1.191 5.628 275 H GLU 33 H GLU 33 -21.236 4.309 4.764 276 HA GLU 33 HA GLU 33 -20.383 6.005 5.996 277 HB2 GLU 33 HB3 GLU 33 -22.457 5.154 8.022 278 HB3 GLU 33 HB2 GLU 33 -21.615 6.697 7.997 279 HG2 GLU 33 HG3 GLU 33 -22.644 7.214 5.836 280 HG3 GLU 33 HG2 GLU 33 -23.499 5.675 5.883 281 H1 GLY 1 H1 GLY 1 23.888 -9.158 7.223 282 H2 GLY 1 H2 GLY 1 22.497 -8.355 7.746 283 H3 GLY 1 H3 GLY 1 23.860 -7.470 7.289 284 HA2 GLY 1 HA2 GLY 1 23.641 -8.234 5.017 285 HA3 GLY 1 HA3 GLY 1 22.228 -9.167 5.490 286 H SER 2 H SER 2 23.340 -6.217 4.313 287 HA SER 2 HA SER 2 21.179 -4.589 5.277 288 HB2 SER 2 HB3 SER 2 22.129 -2.941 3.581 289 HB3 SER 2 HB2 SER 2 23.227 -3.456 4.860 290 HG SER 2 HG SER 2 23.856 -3.493 2.443 291 H MET 3 H MET 3 22.055 -6.040 2.154 292 HA MET 3 HA MET 3 19.845 -5.019 0.731 293 HB2 MET 3 HB3 MET 3 21.881 -7.130 0.229 294 HB3 MET 3 HB2 MET 3 20.445 -7.108 -0.785 295 HG2 MET 3 HG3 MET 3 22.309 -4.780 -0.381 296 HG3 MET 3 HG2 MET 3 22.339 -5.879 -1.760 297 HE1 MET 3 HE1 MET 3 22.146 -3.782 -3.410 298 HE2 MET 3 HE2 MET 3 22.113 -2.699 -2.019 299 HE3 MET 3 HE3 MET 3 20.884 -2.555 -3.277 300 H LYS 4 H LYS 4 20.248 -7.917 2.657 301 HA LYS 4 HA LYS 4 17.922 -9.246 1.749 302 HB2 LYS 4 HB3 LYS 4 19.476 -9.431 4.324 303 HB3 LYS 4 HB2 LYS 4 18.057 -10.420 4.009 304 HG2 LYS 4 HG3 LYS 4 20.599 -10.396 2.393 305 HG3 LYS 4 HG2 LYS 4 20.087 -11.648 3.526 306 HD2 LYS 4 HD3 LYS 4 18.070 -12.014 2.112 307 HD3 LYS 4 HD2 LYS 4 18.735 -10.872 0.944 308 HE2 LYS 4 HE3 LYS 4 19.236 -13.129 0.247 309 HE3 LYS 4 HE2 LYS 4 20.724 -12.307 0.713 310 HZ1 LYS 4 HZ1 LYS 4 20.663 -13.437 2.834 311 HZ2 LYS 4 HZ2 LYS 4 20.612 -14.570 1.580 312 HZ3 LYS 4 HZ3 LYS 4 19.204 -14.191 2.431 313 H GLN 5 H GLN 5 18.478 -7.242 4.634 314 HA GLN 5 HA GLN 5 15.775 -7.223 5.461 315 HB2 GLN 5 HB3 GLN 5 18.014 -5.286 6.061 316 HB3 GLN 5 HB2 GLN 5 16.462 -5.299 6.884 317 HG2 GLN 5 HG3 GLN 5 16.908 -7.526 7.735 318 HG3 GLN 5 HG2 GLN 5 18.442 -7.566 6.867 319 HE21 GLN 5 HE21 GLN 5 20.149 -6.306 7.588 320 HE22 GLN 5 HE22 GLN 5 20.185 -5.626 9.179 321 H LEU 6 H LEU 6 17.605 -5.280 3.231 322 HA LEU 6 HA LEU 6 15.763 -3.134 3.023 323 HB2 LEU 6 HB3 LEU 6 18.108 -2.944 2.347 324 HB3 LEU 6 HB2 LEU 6 17.853 -4.111 1.070 325 HG LEU 6 HG LEU 6 16.232 -2.517 0.027 326 HD11 LEU 6 HD11 LEU 6 15.697 -1.247 2.058 327 HD12 LEU 6 HD12 LEU 6 16.249 -0.200 0.752 328 HD13 LEU 6 HD13 LEU 6 17.339 -0.602 2.079 329 HD21 LEU 6 HD21 LEU 6 19.053 -1.529 0.443 330 HD22 LEU 6 HD22 LEU 6 17.972 -1.047 -0.865 331 HD23 LEU 6 HD23 LEU 6 18.532 -2.714 -0.754 332 H GLU 7 H GLU 7 16.230 -6.130 1.172 333 HA GLU 7 HA GLU 7 14.287 -5.613 -0.783 334 HB2 GLU 7 HB3 GLU 7 16.122 -7.371 -0.814 335 HB3 GLU 7 HB2 GLU 7 15.098 -8.331 0.242 336 HG2 GLU 7 HG3 GLU 7 13.360 -8.371 -1.450 337 HG3 GLU 7 HG2 GLU 7 14.356 -7.356 -2.489 338 H ASP 8 H ASP 8 14.156 -7.147 2.386 339 HA ASP 8 HA ASP 8 11.539 -8.139 2.242 340 HB2 ASP 8 HB3 ASP 8 13.346 -7.396 4.508 341 HB3 ASP 8 HB2 ASP 8 11.656 -7.761 4.838 342 H LYS 9 H LYS 9 12.752 -4.949 3.117 343 HA LYS 9 HA LYS 9 10.388 -3.889 4.184 344 HB2 LYS 9 HB3 LYS 9 12.677 -2.536 2.756 345 HB3 LYS 9 HB2 LYS 9 11.376 -1.661 3.553 346 HG2 LYS 9 HG3 LYS 9 11.989 -2.630 5.682 347 HG3 LYS 9 HG2 LYS 9 13.254 -3.585 4.905 348 HD2 LYS 9 HD3 LYS 9 14.399 -1.532 4.240 349 HD3 LYS 9 HD2 LYS 9 13.124 -0.570 4.994 350 HE2 LYS 9 HE3 LYS 9 15.058 -0.720 6.457 351 HE3 LYS 9 HE2 LYS 9 13.679 -1.554 7.169 352 HZ1 LYS 9 HZ1 LYS 9 15.655 -2.864 7.434 353 HZ2 LYS 9 HZ2 LYS 9 15.975 -2.821 5.776 354 HZ3 LYS 9 HZ3 LYS 9 14.623 -3.655 6.355 355 H VAL 10 H VAL 10 11.680 -3.584 0.879 356 HA VAL 10 HA VAL 10 9.393 -2.185 -0.074 357 HB VAL 10 HB VAL 10 11.585 -1.935 -1.132 358 HG11 VAL 10 HG11 VAL 10 11.216 -4.772 -2.084 359 HG12 VAL 10 HG12 VAL 10 12.424 -4.203 -0.931 360 HG13 VAL 10 HG13 VAL 10 12.485 -3.667 -2.611 361 HG21 VAL 10 HG21 VAL 10 10.861 -2.070 -3.477 362 HG22 VAL 10 HG22 VAL 10 9.625 -1.379 -2.428 363 HG23 VAL 10 HG23 VAL 10 9.480 -3.048 -2.977 364 H GLU 11 H GLU 11 10.324 -5.597 -0.037 365 HA GLU 11 HA GLU 11 8.209 -6.510 -1.688 366 HB2 GLU 11 HB3 GLU 11 9.875 -7.880 0.414 367 HB3 GLU 11 HB2 GLU 11 8.616 -8.719 -0.480 368 HG2 GLU 11 HG3 GLU 11 10.980 -7.337 -1.722 369 HG3 GLU 11 HG2 GLU 11 10.866 -9.068 -1.410 370 H GLU 12 H GLU 12 8.529 -6.192 1.840 371 HA GLU 12 HA GLU 12 5.929 -7.052 2.460 372 HB2 GLU 12 HB3 GLU 12 7.850 -5.241 3.883 373 HB3 GLU 12 HB2 GLU 12 6.252 -5.575 4.537 374 HG2 GLU 12 HG3 GLU 12 8.399 -7.596 3.933 375 HG3 GLU 12 HG2 GLU 12 7.897 -7.038 5.529 376 H LEU 13 H LEU 13 7.070 -3.815 1.492 377 HA LEU 13 HA LEU 13 4.510 -2.659 1.831 378 HB2 LEU 13 HB3 LEU 13 7.088 -1.833 0.710 379 HB3 LEU 13 HB2 LEU 13 5.685 -1.016 0.038 380 HG LEU 13 HG LEU 13 5.908 -1.300 2.988 381 HD11 LEU 13 HD11 LEU 13 7.162 0.817 3.098 382 HD12 LEU 13 HD12 LEU 13 7.328 0.805 1.343 383 HD13 LEU 13 HD13 LEU 13 8.101 -0.450 2.310 384 HD21 LEU 13 HD21 LEU 13 4.799 0.865 1.205 385 HD22 LEU 13 HD22 LEU 13 4.667 0.786 2.961 386 HD23 LEU 13 HD23 LEU 13 3.865 -0.423 1.962 387 H LEU 14 H LEU 14 6.033 -4.253 -0.968 388 HA LEU 14 HA LEU 14 3.873 -3.877 -2.730 389 HB2 LEU 14 HB3 LEU 14 5.694 -6.254 -2.373 390 HB3 LEU 14 HB2 LEU 14 4.556 -6.097 -3.699 391 HG LEU 14 HG LEU 14 7.197 -4.791 -3.305 392 HD11 LEU 14 HD11 LEU 14 7.080 -6.533 -4.933 393 HD12 LEU 14 HD12 LEU 14 7.179 -5.008 -5.811 394 HD13 LEU 14 HD13 LEU 14 5.629 -5.834 -5.658 395 HD21 LEU 14 HD21 LEU 14 5.792 -2.825 -3.315 396 HD22 LEU 14 HD22 LEU 14 4.930 -3.413 -4.740 397 HD23 LEU 14 HD23 LEU 14 6.631 -2.969 -4.859 398 H SER 15 H SER 15 4.525 -6.365 -0.317 399 HA SER 15 HA SER 15 2.211 -7.845 -0.477 400 HB2 SER 15 HB3 SER 15 3.736 -7.101 2.032 401 HB3 SER 15 HB2 SER 15 2.602 -8.443 1.879 402 HG SER 15 HG SER 15 4.957 -8.147 0.311 403 H LYS 16 H LYS 16 2.778 -4.890 1.515 404 HA LYS 16 HA LYS 16 0.103 -4.798 2.426 405 HB2 LYS 16 HB3 LYS 16 2.297 -2.766 2.287 406 HB3 LYS 16 HB2 LYS 16 0.675 -2.288 2.770 407 HG2 LYS 16 HG3 LYS 16 0.750 -4.028 4.543 408 HG3 LYS 16 HG2 LYS 16 2.433 -4.331 4.108 409 HD2 LYS 16 HD3 LYS 16 1.401 -1.622 4.921 410 HD3 LYS 16 HD2 LYS 16 2.059 -2.788 6.070 411 HE2 LYS 16 HE3 LYS 16 3.538 -1.711 3.674 412 HE3 LYS 16 HE2 LYS 16 3.707 -1.102 5.318 413 HZ1 LYS 16 HZ1 LYS 16 5.453 -2.672 4.749 414 HZ2 LYS 16 HZ2 LYS 16 4.305 -3.878 4.455 415 HZ3 LYS 16 HZ3 LYS 16 4.502 -3.259 6.014 416 H ASN 17 H ASN 17 1.656 -2.982 -0.244 417 HA ASN 17 HA ASN 17 -0.530 -1.472 -1.010 418 HB2 ASN 17 HB3 ASN 17 1.736 -1.118 -1.870 419 HB3 ASN 17 HB2 ASN 17 1.643 -2.627 -2.770 420 HD21 ASN 17 HD21 ASN 17 1.962 -1.653 -4.742 421 HD22 ASN 17 HD22 ASN 17 0.764 -0.660 -5.499 422 H TYR 18 H TYR 18 0.478 -4.564 -2.520 423 HA TYR 18 HA TYR 18 -1.748 -4.626 -4.260 424 HB2 TYR 18 HB3 TYR 18 0.220 -6.754 -3.439 425 HB3 TYR 18 HB2 TYR 18 -1.049 -7.032 -4.627 426 HD1 TYR 18 HD1 TYR 18 2.256 -5.769 -4.081 427 HD2 TYR 18 HD2 TYR 18 -1.093 -5.542 -6.694 428 HE1 TYR 18 HE1 TYR 18 3.700 -4.856 -5.845 429 HE2 TYR 18 HE2 TYR 18 0.346 -4.629 -8.465 430 HH TYR 18 HH TYR 18 2.482 -3.431 -8.674 431 H HIS 19 H HIS 19 -1.165 -6.154 -1.113 432 HA HIS 19 HA HIS 19 -3.591 -7.684 -1.242 433 HB2 HIS 19 HB3 HIS 19 -1.595 -7.165 0.939 434 HB3 HIS 19 HB2 HIS 19 -3.120 -7.972 1.287 435 HD1 HIS 19 HD1 HIS 19 -3.107 -10.431 1.016 436 HD2 HIS 19 HD2 HIS 19 -0.064 -8.614 -1.160 437 HE1 HIS 19 HE1 HIS 19 -1.766 -12.314 0.023 438 HE2 HIS 19 HE2 HIS 19 -0.012 -11.190 -1.393 439 H LEU 20 H LEU 20 -2.720 -4.508 -0.062 440 HA LEU 20 HA LEU 20 -5.142 -4.075 1.356 441 HB2 LEU 20 HB3 LEU 20 -3.164 -2.710 1.766 442 HB3 LEU 20 HB2 LEU 20 -3.189 -2.141 0.109 443 HG LEU 20 HG LEU 20 -5.328 -1.021 0.541 444 HD11 LEU 20 HD11 LEU 20 -6.118 -0.768 2.849 445 HD12 LEU 20 HD12 LEU 20 -4.886 -1.911 3.386 446 HD13 LEU 20 HD13 LEU 20 -6.180 -2.447 2.314 447 HD21 LEU 20 HD21 LEU 20 -4.425 0.772 1.930 448 HD22 LEU 20 HD22 LEU 20 -3.225 0.193 0.776 449 HD23 LEU 20 HD23 LEU 20 -3.129 -0.293 2.467 450 H GLU 21 H GLU 21 -4.030 -3.626 -1.962 451 HA GLU 21 HA GLU 21 -6.347 -2.336 -2.932 452 HB2 GLU 21 HB3 GLU 21 -4.155 -2.548 -4.145 453 HB3 GLU 21 HB2 GLU 21 -4.582 -4.219 -4.494 454 HG2 GLU 21 HG3 GLU 21 -6.504 -3.515 -5.757 455 HG3 GLU 21 HG2 GLU 21 -6.220 -1.833 -5.315 456 H ASN 22 H ASN 22 -5.588 -5.701 -2.343 457 HA ASN 22 HA ASN 22 -7.831 -6.886 -3.551 458 HB2 ASN 22 HB3 ASN 22 -6.267 -7.723 -1.102 459 HB3 ASN 22 HB2 ASN 22 -7.491 -8.722 -1.874 460 HD21 ASN 22 HD21 ASN 22 -6.774 -7.971 -4.570 461 HD22 ASN 22 HD22 ASN 22 -5.274 -8.759 -4.910 462 H GLU 23 H GLU 23 -7.366 -5.260 -0.510 463 HA GLU 23 HA GLU 23 -9.826 -6.068 0.688 464 HB2 GLU 23 HB3 GLU 23 -7.883 -5.398 2.034 465 HB3 GLU 23 HB2 GLU 23 -7.980 -3.758 1.360 466 HG2 GLU 23 HG3 GLU 23 -10.233 -3.543 2.376 467 HG3 GLU 23 HG2 GLU 23 -10.004 -5.118 3.135 468 H VAL 24 H VAL 24 -8.751 -3.241 -1.150 469 HA VAL 24 HA VAL 24 -11.140 -1.759 -0.733 470 HB VAL 24 HB VAL 24 -10.227 -0.120 -1.969 471 HG11 VAL 24 HG11 VAL 24 -7.772 -1.827 -1.901 472 HG12 VAL 24 HG12 VAL 24 -8.415 -0.948 -0.523 473 HG13 VAL 24 HG13 VAL 24 -7.850 -0.065 -1.943 474 HG21 VAL 24 HG21 VAL 24 -10.643 -1.171 -4.120 475 HG22 VAL 24 HG22 VAL 24 -9.165 -2.116 -3.955 476 HG23 VAL 24 HG23 VAL 24 -9.077 -0.361 -4.109 477 H ALA 25 H ALA 25 -10.099 -4.143 -3.028 478 HA ALA 25 HA ALA 25 -12.212 -3.921 -4.875 479 HB1 ALA 25 HB1 ALA 25 -10.156 -5.213 -5.291 480 HB2 ALA 25 HB2 ALA 25 -11.618 -6.151 -5.597 481 HB3 ALA 25 HB3 ALA 25 -10.697 -6.411 -4.118 482 H ARG 26 H ARG 26 -11.938 -5.517 -1.772 483 HA ARG 26 HA ARG 26 -14.316 -7.039 -1.874 484 HB2 ARG 26 HB3 ARG 26 -12.988 -5.789 0.543 485 HB3 ARG 26 HB2 ARG 26 -14.198 -7.062 0.584 486 HG2 ARG 26 HG3 ARG 26 -11.420 -7.267 -0.559 487 HG3 ARG 26 HG2 ARG 26 -11.998 -7.978 0.948 488 HD2 ARG 26 HD2 ARG 26 -13.642 -9.296 -0.367 489 HD3 ARG 26 HD1 ARG 26 -12.912 -8.660 -1.841 490 HE ARG 26 HE ARG 26 -10.888 -9.800 -0.284 491 HH11 ARG 26 HH11 ARG 26 -13.707 -10.784 -2.106 492 HH12 ARG 26 HH12 ARG 26 -13.093 -12.372 -2.441 493 HH21 ARG 26 HH21 ARG 26 -10.079 -11.886 -0.716 494 HH22 ARG 26 HH22 ARG 26 -11.032 -13.002 -1.646 495 H LEU 27 H LEU 27 -13.626 -3.846 -0.491 496 HA LEU 27 HA LEU 27 -16.229 -3.166 0.253 497 HB2 LEU 27 HB3 LEU 27 -13.994 -1.359 -0.672 498 HB3 LEU 27 HB2 LEU 27 -15.450 -0.838 0.141 499 HG LEU 27 HG LEU 27 -13.700 -2.827 1.482 500 HD11 LEU 27 HD11 LEU 27 -12.337 -1.132 2.440 501 HD12 LEU 27 HD12 LEU 27 -13.269 0.137 1.648 502 HD13 LEU 27 HD13 LEU 27 -12.263 -0.948 0.687 503 HD21 LEU 27 HD21 LEU 27 -15.505 -0.607 2.416 504 HD22 LEU 27 HD22 LEU 27 -14.584 -1.680 3.474 505 HD23 LEU 27 HD23 LEU 27 -15.863 -2.336 2.453 506 H LYS 28 H LYS 28 -14.508 -2.703 -2.784 507 HA LYS 28 HA LYS 28 -16.330 -1.192 -4.201 508 HB2 LYS 28 HB3 LYS 28 -14.086 -1.841 -5.006 509 HB3 LYS 28 HB2 LYS 28 -14.660 -3.482 -5.252 510 HG2 LYS 28 HG3 LYS 28 -14.594 -2.322 -7.354 511 HG3 LYS 28 HG2 LYS 28 -16.271 -2.644 -6.913 512 HD2 LYS 28 HD3 LYS 28 -16.512 -0.350 -6.118 513 HD3 LYS 28 HD2 LYS 28 -14.825 -0.025 -6.518 514 HE2 LYS 28 HE3 LYS 28 -15.287 -0.443 -8.869 515 HE3 LYS 28 HE2 LYS 28 -16.964 -0.830 -8.486 516 HZ1 LYS 28 HZ1 LYS 28 -15.638 1.799 -8.132 517 HZ2 LYS 28 HZ2 LYS 28 -17.218 1.450 -7.648 518 HZ3 LYS 28 HZ3 LYS 28 -16.809 1.412 -9.287 519 H LYS 29 H LYS 29 -16.357 -4.690 -3.651 520 HA LYS 29 HA LYS 29 -18.565 -5.200 -5.367 521 HB2 LYS 29 HB3 LYS 29 -17.612 -6.913 -3.073 522 HB3 LYS 29 HB2 LYS 29 -18.508 -7.424 -4.488 523 HG2 LYS 29 HG3 LYS 29 -15.650 -6.504 -4.390 524 HG3 LYS 29 HG2 LYS 29 -16.238 -8.135 -4.709 525 HD2 LYS 29 HD3 LYS 29 -16.767 -5.733 -6.454 526 HD3 LYS 29 HD2 LYS 29 -15.515 -6.940 -6.750 527 HE2 LYS 29 HE3 LYS 29 -17.202 -8.669 -6.974 528 HE3 LYS 29 HE2 LYS 29 -18.471 -7.507 -6.588 529 HZ1 LYS 29 HZ1 LYS 29 -18.308 -7.872 -8.966 530 HZ2 LYS 29 HZ2 LYS 29 -16.687 -7.390 -8.958 531 HZ3 LYS 29 HZ3 LYS 29 -17.903 -6.273 -8.582 532 H LEU 30 H LEU 30 -18.161 -4.459 -1.974 533 HA LEU 30 HA LEU 30 -20.859 -5.057 -1.238 534 HB2 LEU 30 HB3 LEU 30 -18.525 -3.774 0.090 535 HB3 LEU 30 HB2 LEU 30 -20.113 -3.489 0.768 536 HG LEU 30 HG LEU 30 -18.904 -5.309 1.903 537 HD11 LEU 30 HD11 LEU 30 -20.700 -6.880 1.984 538 HD12 LEU 30 HD12 LEU 30 -21.300 -6.361 0.415 539 HD13 LEU 30 HD13 LEU 30 -21.384 -5.266 1.795 540 HD21 LEU 30 HD21 LEU 30 -17.616 -6.172 0.037 541 HD22 LEU 30 HD22 LEU 30 -19.095 -6.726 -0.749 542 HD23 LEU 30 HD23 LEU 30 -18.579 -7.455 0.771 543 H VAL 31 H VAL 31 -19.171 -2.230 -2.397 544 HA VAL 31 HA VAL 31 -21.189 -0.350 -1.737 545 HB VAL 31 HB VAL 31 -19.050 -0.193 -3.879 546 HG11 VAL 31 HG11 VAL 31 -19.456 2.219 -3.864 547 HG12 VAL 31 HG12 VAL 31 -20.807 1.983 -2.753 548 HG13 VAL 31 HG13 VAL 31 -20.885 1.327 -4.388 549 HG21 VAL 31 HG21 VAL 31 -19.177 0.927 -1.088 550 HG22 VAL 31 HG22 VAL 31 -17.902 1.250 -2.263 551 HG23 VAL 31 HG23 VAL 31 -18.138 -0.385 -1.643 552 H GLY 32 H GLY 32 -20.734 -2.542 -4.458 553 HA2 GLY 32 HA3 GLY 32 -23.373 -2.615 -5.210 554 HA3 GLY 32 HA2 GLY 32 -22.709 -1.255 -6.096 555 H GLU 33 H GLU 33 -21.256 -4.384 -5.284 556 HA GLU 33 HA GLU 33 -20.418 -6.067 -6.538 557 HB2 GLU 33 HB3 GLU 33 -22.494 -5.186 -8.552 558 HB3 GLU 33 HB2 GLU 33 -21.651 -6.729 -8.553 559 HG2 GLU 33 HG3 GLU 33 -22.669 -7.285 -6.402 560 HG3 GLU 33 HG2 GLU 33 -23.522 -5.742 -6.412 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 25.907 -1.167 -5.612 2 H2 GLY 1 H2 GLY 1 26.420 -1.899 -4.176 3 H3 GLY 1 H3 GLY 1 26.364 -0.212 -4.295 4 HA2 GLY 1 HA2 GLY 1 24.018 -2.019 -4.394 5 HA3 GLY 1 HA3 GLY 1 24.501 -1.052 -3.007 6 H SER 2 H SER 2 22.037 -0.602 -3.770 7 HA SER 2 HA SER 2 22.190 2.075 -4.917 8 HB2 SER 2 HB3 SER 2 20.247 -0.019 -5.924 9 HB3 SER 2 HB2 SER 2 20.309 1.669 -6.436 10 HG SER 2 HG SER 2 22.746 0.611 -6.688 11 H MET 3 H MET 3 21.967 1.682 -2.319 12 HA MET 3 HA MET 3 19.393 1.218 -1.270 13 HB2 MET 3 HB3 MET 3 21.475 1.143 0.067 14 HB3 MET 3 HB2 MET 3 21.637 2.884 -0.111 15 HG2 MET 3 HG3 MET 3 19.573 3.223 1.124 16 HG3 MET 3 HG2 MET 3 19.361 1.479 1.267 17 HE1 MET 3 HE1 MET 3 19.103 1.718 3.921 18 HE2 MET 3 HE2 MET 3 19.285 3.463 3.743 19 HE3 MET 3 HE3 MET 3 20.260 2.590 4.925 20 H LYS 4 H LYS 4 20.936 4.067 -2.570 21 HA LYS 4 HA LYS 4 19.200 6.051 -1.647 22 HB2 LYS 4 HB3 LYS 4 21.274 6.610 -2.766 23 HB3 LYS 4 HB2 LYS 4 20.728 5.844 -4.249 24 HG2 LYS 4 HG3 LYS 4 20.556 8.209 -4.506 25 HG3 LYS 4 HG2 LYS 4 18.928 7.541 -4.406 26 HD2 LYS 4 HD3 LYS 4 18.959 9.512 -3.075 27 HD3 LYS 4 HD2 LYS 4 18.942 8.141 -1.965 28 HE2 LYS 4 HE3 LYS 4 20.519 9.849 -1.229 29 HE3 LYS 4 HE2 LYS 4 21.352 8.356 -1.651 30 HZ1 LYS 4 HZ1 LYS 4 22.037 9.300 -3.719 31 HZ2 LYS 4 HZ2 LYS 4 22.444 10.393 -2.496 32 HZ3 LYS 4 HZ3 LYS 4 21.098 10.684 -3.473 33 H GLN 5 H GLN 5 19.033 4.039 -4.559 34 HA GLN 5 HA GLN 5 16.676 5.166 -5.616 35 HB2 GLN 5 HB3 GLN 5 17.763 2.367 -5.972 36 HB3 GLN 5 HB2 GLN 5 16.557 3.137 -6.993 37 HG2 GLN 5 HG3 GLN 5 18.189 4.798 -7.693 38 HG3 GLN 5 HG2 GLN 5 19.400 4.061 -6.644 39 HE21 GLN 5 HE21 GLN 5 20.789 3.591 -8.310 40 HE22 GLN 5 HE22 GLN 5 20.463 2.365 -9.484 41 H LEU 6 H LEU 6 17.278 2.476 -3.429 42 HA LEU 6 HA LEU 6 14.629 1.533 -3.297 43 HB2 LEU 6 HB3 LEU 6 17.079 1.189 -1.658 44 HB3 LEU 6 HB2 LEU 6 15.552 0.774 -0.910 45 HG LEU 6 HG LEU 6 16.626 -1.193 -1.873 46 HD11 LEU 6 HD11 LEU 6 14.180 -1.075 -1.797 47 HD12 LEU 6 HD12 LEU 6 14.755 -2.032 -3.161 48 HD13 LEU 6 HD13 LEU 6 14.167 -0.391 -3.422 49 HD21 LEU 6 HD21 LEU 6 16.372 0.247 -4.511 50 HD22 LEU 6 HD22 LEU 6 16.874 -1.430 -4.294 51 HD23 LEU 6 HD23 LEU 6 17.876 -0.121 -3.666 52 H GLU 7 H GLU 7 16.330 4.045 -1.499 53 HA GLU 7 HA GLU 7 14.415 4.511 0.493 54 HB2 GLU 7 HB3 GLU 7 16.324 6.405 -0.877 55 HB3 GLU 7 HB2 GLU 7 15.342 6.857 0.507 56 HG2 GLU 7 HG3 GLU 7 17.387 4.650 0.472 57 HG3 GLU 7 HG2 GLU 7 17.638 6.269 1.124 58 H ASP 8 H ASP 8 14.638 5.693 -2.817 59 HA ASP 8 HA ASP 8 12.358 7.419 -2.606 60 HB2 ASP 8 HB3 ASP 8 13.865 6.330 -4.988 61 HB3 ASP 8 HB2 ASP 8 12.503 7.434 -5.133 62 H LYS 9 H LYS 9 12.958 4.146 -3.679 63 HA LYS 9 HA LYS 9 10.418 3.721 -4.875 64 HB2 LYS 9 HB3 LYS 9 12.597 2.458 -5.288 65 HB3 LYS 9 HB2 LYS 9 12.254 1.586 -3.802 66 HG2 LYS 9 HG3 LYS 9 10.138 0.800 -4.773 67 HG3 LYS 9 HG2 LYS 9 10.531 1.640 -6.272 68 HD2 LYS 9 HD3 LYS 9 12.145 -0.582 -5.016 69 HD3 LYS 9 HD2 LYS 9 11.080 -0.742 -6.411 70 HE2 LYS 9 HE3 LYS 9 13.547 0.991 -6.266 71 HE3 LYS 9 HE2 LYS 9 13.433 -0.569 -7.074 72 HZ1 LYS 9 HZ1 LYS 9 11.894 1.864 -7.797 73 HZ2 LYS 9 HZ2 LYS 9 11.786 0.364 -8.573 74 HZ3 LYS 9 HZ3 LYS 9 13.224 1.247 -8.636 75 H VAL 10 H VAL 10 11.782 2.915 -1.692 76 HA VAL 10 HA VAL 10 9.471 1.522 -0.795 77 HB VAL 10 HB VAL 10 11.761 1.257 0.195 78 HG11 VAL 10 HG11 VAL 10 11.123 3.869 1.555 79 HG12 VAL 10 HG12 VAL 10 12.404 3.590 0.376 80 HG13 VAL 10 HG13 VAL 10 12.471 2.802 1.953 81 HG21 VAL 10 HG21 VAL 10 9.818 0.352 1.311 82 HG22 VAL 10 HG22 VAL 10 9.519 1.901 2.101 83 HG23 VAL 10 HG23 VAL 10 10.965 0.973 2.498 84 H GLU 11 H GLU 11 10.506 4.903 -0.589 85 HA GLU 11 HA GLU 11 8.385 5.764 1.089 86 HB2 GLU 11 HB3 GLU 11 10.376 7.147 0.718 87 HB3 GLU 11 HB2 GLU 11 9.963 7.310 -0.983 88 HG2 GLU 11 HG3 GLU 11 7.912 8.495 -0.367 89 HG3 GLU 11 HG2 GLU 11 8.343 8.343 1.335 90 H GLU 12 H GLU 12 8.777 5.482 -2.401 91 HA GLU 12 HA GLU 12 6.347 6.565 -3.220 92 HB2 GLU 12 HB3 GLU 12 8.238 5.828 -4.707 93 HB3 GLU 12 HB2 GLU 12 7.705 4.171 -4.467 94 HG2 GLU 12 HG3 GLU 12 6.860 4.955 -6.558 95 HG3 GLU 12 HG2 GLU 12 5.512 4.783 -5.437 96 H LEU 13 H LEU 13 7.077 3.134 -2.472 97 HA LEU 13 HA LEU 13 4.360 2.358 -2.630 98 HB2 LEU 13 HB3 LEU 13 6.882 1.081 -1.743 99 HB3 LEU 13 HB2 LEU 13 5.364 0.326 -1.284 100 HG LEU 13 HG LEU 13 5.758 1.141 -4.114 101 HD11 LEU 13 HD11 LEU 13 6.890 -1.377 -2.875 102 HD12 LEU 13 HD12 LEU 13 7.820 -0.057 -3.585 103 HD13 LEU 13 HD13 LEU 13 6.780 -1.054 -4.605 104 HD21 LEU 13 HD21 LEU 13 4.303 -1.104 -2.730 105 HD22 LEU 13 HD22 LEU 13 4.371 -0.882 -4.477 106 HD23 LEU 13 HD23 LEU 13 3.595 0.333 -3.463 107 H LEU 14 H LEU 14 6.351 3.411 0.089 108 HA LEU 14 HA LEU 14 4.587 2.856 2.155 109 HB2 LEU 14 HB3 LEU 14 6.854 3.703 2.490 110 HB3 LEU 14 HB2 LEU 14 6.425 5.233 1.769 111 HG LEU 14 HG LEU 14 6.665 5.160 4.283 112 HD11 LEU 14 HD11 LEU 14 5.617 7.017 3.132 113 HD12 LEU 14 HD12 LEU 14 4.818 6.689 4.672 114 HD13 LEU 14 HD13 LEU 14 4.067 6.174 3.162 115 HD21 LEU 14 HD21 LEU 14 4.797 4.367 5.593 116 HD22 LEU 14 HD22 LEU 14 5.469 3.042 4.643 117 HD23 LEU 14 HD23 LEU 14 3.970 3.823 4.136 118 H SER 15 H SER 15 4.677 5.597 -0.083 119 HA SER 15 HA SER 15 2.305 6.750 1.013 120 HB2 SER 15 HB3 SER 15 2.447 8.196 -1.115 121 HB3 SER 15 HB2 SER 15 3.737 8.343 0.075 122 HG SER 15 HG SER 15 5.057 7.100 -1.214 123 H LYS 16 H LYS 16 3.011 4.597 -1.768 124 HA LYS 16 HA LYS 16 0.433 4.628 -2.878 125 HB2 LYS 16 HB3 LYS 16 2.439 2.383 -2.685 126 HB3 LYS 16 HB2 LYS 16 0.941 2.258 -3.593 127 HG2 LYS 16 HG3 LYS 16 1.630 4.101 -5.021 128 HG3 LYS 16 HG2 LYS 16 3.118 4.278 -4.092 129 HD2 LYS 16 HD3 LYS 16 3.549 3.048 -6.137 130 HD3 LYS 16 HD2 LYS 16 3.776 2.000 -4.740 131 HE2 LYS 16 HE3 LYS 16 2.585 0.843 -6.527 132 HE3 LYS 16 HE2 LYS 16 1.569 1.026 -5.099 133 HZ1 LYS 16 HZ1 LYS 16 0.449 2.871 -6.148 134 HZ2 LYS 16 HZ2 LYS 16 0.378 1.519 -7.159 135 HZ3 LYS 16 HZ3 LYS 16 1.461 2.771 -7.501 136 H ASN 17 H ASN 17 1.736 2.598 -0.269 137 HA ASN 17 HA ASN 17 -0.480 1.104 0.385 138 HB2 ASN 17 HB3 ASN 17 1.649 0.730 1.458 139 HB3 ASN 17 HB2 ASN 17 1.628 2.338 2.171 140 HD21 ASN 17 HD21 ASN 17 0.408 2.713 3.995 141 HD22 ASN 17 HD22 ASN 17 -0.305 1.439 4.921 142 H TYR 18 H TYR 18 0.350 4.363 1.569 143 HA TYR 18 HA TYR 18 -1.983 4.608 3.151 144 HB2 TYR 18 HB3 TYR 18 0.104 6.527 2.203 145 HB3 TYR 18 HB2 TYR 18 -1.377 7.149 2.933 146 HD1 TYR 18 HD1 TYR 18 -1.958 6.511 5.263 147 HD2 TYR 18 HD2 TYR 18 1.802 5.525 3.543 148 HE1 TYR 18 HE1 TYR 18 -1.050 6.091 7.507 149 HE2 TYR 18 HE2 TYR 18 2.722 5.103 5.782 150 HH TYR 18 HH TYR 18 2.312 5.650 8.078 151 H HIS 19 H HIS 19 -1.235 5.621 -0.164 152 HA HIS 19 HA HIS 19 -3.571 7.067 -0.676 153 HB2 HIS 19 HB3 HIS 19 -1.717 5.494 -2.432 154 HB3 HIS 19 HB2 HIS 19 -3.206 6.146 -3.102 155 HD1 HIS 19 HD1 HIS 19 0.215 6.988 -2.805 156 HD2 HIS 19 HD2 HIS 19 -3.332 9.118 -2.412 157 HE1 HIS 19 HE1 HIS 19 0.838 9.399 -3.116 158 HE2 HIS 19 HE2 HIS 19 -1.290 10.675 -2.697 159 H LEU 20 H LEU 20 -2.942 3.603 -0.887 160 HA LEU 20 HA LEU 20 -5.597 3.021 -1.813 161 HB2 LEU 20 HB3 LEU 20 -3.197 1.420 -1.092 162 HB3 LEU 20 HB2 LEU 20 -4.755 0.615 -1.100 163 HG LEU 20 HG LEU 20 -5.080 1.073 -3.426 164 HD11 LEU 20 HD11 LEU 20 -4.158 3.345 -3.442 165 HD12 LEU 20 HD12 LEU 20 -3.522 2.357 -4.762 166 HD13 LEU 20 HD13 LEU 20 -2.528 2.672 -3.339 167 HD21 LEU 20 HD21 LEU 20 -3.653 -0.833 -2.884 168 HD22 LEU 20 HD22 LEU 20 -2.231 0.207 -2.969 169 HD23 LEU 20 HD23 LEU 20 -3.192 -0.092 -4.416 170 H GLU 21 H GLU 21 -3.924 2.964 1.291 171 HA GLU 21 HA GLU 21 -5.936 1.747 2.812 172 HB2 GLU 21 HB3 GLU 21 -3.553 2.458 3.506 173 HB3 GLU 21 HB2 GLU 21 -4.255 4.037 3.820 174 HG2 GLU 21 HG3 GLU 21 -5.526 1.655 5.050 175 HG3 GLU 21 HG2 GLU 21 -4.000 2.227 5.715 176 H ASN 22 H ASN 22 -5.466 5.083 1.798 177 HA ASN 22 HA ASN 22 -7.714 6.199 3.061 178 HB2 ASN 22 HB3 ASN 22 -6.022 6.984 0.729 179 HB3 ASN 22 HB2 ASN 22 -7.548 7.824 0.982 180 HD21 ASN 22 HD21 ASN 22 -4.352 7.245 2.215 181 HD22 ASN 22 HD22 ASN 22 -4.366 8.518 3.391 182 H GLU 23 H GLU 23 -7.359 4.395 0.070 183 HA GLU 23 HA GLU 23 -9.980 5.029 -0.899 184 HB2 GLU 23 HB3 GLU 23 -7.986 2.910 -1.711 185 HB3 GLU 23 HB2 GLU 23 -9.551 3.152 -2.518 186 HG2 GLU 23 HG3 GLU 23 -8.864 5.466 -3.044 187 HG3 GLU 23 HG2 GLU 23 -7.287 5.133 -2.327 188 H VAL 24 H VAL 24 -8.574 2.432 1.017 189 HA VAL 24 HA VAL 24 -10.882 0.777 0.964 190 HB VAL 24 HB VAL 24 -8.846 0.876 3.196 191 HG11 VAL 24 HG11 VAL 24 -9.462 -1.459 3.538 192 HG12 VAL 24 HG12 VAL 24 -10.614 -1.366 2.204 193 HG13 VAL 24 HG13 VAL 24 -10.878 -0.413 3.669 194 HG21 VAL 24 HG21 VAL 24 -7.677 0.635 1.071 195 HG22 VAL 24 HG22 VAL 24 -8.726 -0.715 0.637 196 HG23 VAL 24 HG23 VAL 24 -7.616 -0.863 1.998 197 H ALA 25 H ALA 25 -9.787 3.418 2.991 198 HA ALA 25 HA ALA 25 -11.623 3.065 5.103 199 HB1 ALA 25 HB1 ALA 25 -9.566 4.430 5.248 200 HB2 ALA 25 HB2 ALA 25 -11.004 5.270 5.826 201 HB3 ALA 25 HB3 ALA 25 -10.344 5.648 4.237 202 H ARG 26 H ARG 26 -11.817 5.002 2.131 203 HA ARG 26 HA ARG 26 -14.205 6.320 2.837 204 HB2 ARG 26 HB3 ARG 26 -14.366 6.717 0.316 205 HB3 ARG 26 HB2 ARG 26 -12.994 7.397 1.165 206 HG2 ARG 26 HG3 ARG 26 -11.618 5.508 0.373 207 HG3 ARG 26 HG2 ARG 26 -12.999 4.906 -0.545 208 HD2 ARG 26 HD2 ARG 26 -11.743 7.624 -0.895 209 HD3 ARG 26 HD1 ARG 26 -11.418 6.223 -1.915 210 HE ARG 26 HE ARG 26 -13.978 6.327 -2.284 211 HH11 ARG 26 HH11 ARG 26 -11.850 9.087 -1.910 212 HH12 ARG 26 HH12 ARG 26 -12.832 10.134 -2.885 213 HH21 ARG 26 HH21 ARG 26 -15.263 7.700 -3.573 214 HH22 ARG 26 HH22 ARG 26 -14.771 9.345 -3.831 215 H LEU 27 H LEU 27 -13.614 3.425 0.862 216 HA LEU 27 HA LEU 27 -16.349 3.007 0.230 217 HB2 LEU 27 HB3 LEU 27 -14.081 1.028 0.286 218 HB3 LEU 27 HB2 LEU 27 -15.647 0.774 -0.445 219 HG LEU 27 HG LEU 27 -13.953 3.038 -1.356 220 HD11 LEU 27 HD11 LEU 27 -12.547 1.046 -1.392 221 HD12 LEU 27 HD12 LEU 27 -12.943 1.610 -3.016 222 HD13 LEU 27 HD13 LEU 27 -13.776 0.209 -2.340 223 HD21 LEU 27 HD21 LEU 27 -16.057 1.307 -2.631 224 HD22 LEU 27 HD22 LEU 27 -15.157 2.576 -3.466 225 HD23 LEU 27 HD23 LEU 27 -16.233 2.989 -2.132 226 H LYS 28 H LYS 28 -14.250 1.804 2.796 227 HA LYS 28 HA LYS 28 -15.860 -0.115 3.936 228 HB2 LYS 28 HB3 LYS 28 -13.510 0.645 4.607 229 HB3 LYS 28 HB2 LYS 28 -14.305 1.873 5.580 230 HG2 LYS 28 HG3 LYS 28 -13.773 0.048 7.004 231 HG3 LYS 28 HG2 LYS 28 -15.521 0.042 6.762 232 HD2 LYS 28 HD3 LYS 28 -15.324 -1.730 5.125 233 HD3 LYS 28 HD2 LYS 28 -13.565 -1.676 5.236 234 HE2 LYS 28 HE3 LYS 28 -14.358 -3.538 6.526 235 HE3 LYS 28 HE2 LYS 28 -13.749 -2.306 7.630 236 HZ1 LYS 28 HZ1 LYS 28 -15.839 -3.246 8.397 237 HZ2 LYS 28 HZ2 LYS 28 -16.609 -2.765 6.971 238 HZ3 LYS 28 HZ3 LYS 28 -16.017 -1.603 8.045 239 H LYS 29 H LYS 29 -16.096 3.395 4.244 240 HA LYS 29 HA LYS 29 -18.302 3.126 6.120 241 HB2 LYS 29 HB3 LYS 29 -16.631 4.844 6.526 242 HB3 LYS 29 HB2 LYS 29 -16.992 5.600 4.983 243 HG2 LYS 29 HG3 LYS 29 -19.249 6.104 5.773 244 HG3 LYS 29 HG2 LYS 29 -18.881 5.331 7.316 245 HD2 LYS 29 HD3 LYS 29 -17.059 6.979 7.649 246 HD3 LYS 29 HD2 LYS 29 -17.565 7.787 6.164 247 HE2 LYS 29 HE3 LYS 29 -18.500 8.920 8.091 248 HE3 LYS 29 HE2 LYS 29 -19.783 8.170 7.145 249 HZ1 LYS 29 HZ1 LYS 29 -18.596 7.055 9.629 250 HZ2 LYS 29 HZ2 LYS 29 -19.839 6.338 8.728 251 HZ3 LYS 29 HZ3 LYS 29 -20.099 7.816 9.512 252 H LEU 30 H LEU 30 -17.912 3.248 2.767 253 HA LEU 30 HA LEU 30 -20.509 4.418 2.263 254 HB2 LEU 30 HB3 LEU 30 -18.611 2.930 0.453 255 HB3 LEU 30 HB2 LEU 30 -20.133 3.626 -0.067 256 HG LEU 30 HG LEU 30 -17.790 5.176 1.037 257 HD11 LEU 30 HD11 LEU 30 -17.353 4.283 -1.184 258 HD12 LEU 30 HD12 LEU 30 -17.564 6.031 -1.235 259 HD13 LEU 30 HD13 LEU 30 -18.866 4.970 -1.768 260 HD21 LEU 30 HD21 LEU 30 -19.070 7.149 0.325 261 HD22 LEU 30 HD22 LEU 30 -19.892 6.245 1.593 262 HD23 LEU 30 HD23 LEU 30 -20.433 6.105 -0.079 263 H VAL 31 H VAL 31 -19.087 1.258 2.654 264 HA VAL 31 HA VAL 31 -21.605 -0.087 2.100 265 HB VAL 31 HB VAL 31 -19.118 -1.355 3.256 266 HG11 VAL 31 HG11 VAL 31 -21.162 -2.696 3.326 267 HG12 VAL 31 HG12 VAL 31 -19.973 -3.383 2.220 268 HG13 VAL 31 HG13 VAL 31 -21.355 -2.492 1.584 269 HG21 VAL 31 HG21 VAL 31 -18.480 -0.144 1.232 270 HG22 VAL 31 HG22 VAL 31 -19.760 -0.961 0.336 271 HG23 VAL 31 HG23 VAL 31 -18.407 -1.887 0.988 272 H GLY 32 H GLY 32 -19.798 1.140 4.782 273 HA2 GLY 32 HA3 GLY 32 -21.393 -0.397 6.704 274 HA3 GLY 32 HA2 GLY 32 -19.927 0.498 7.069 275 H GLU 33 H GLU 33 -20.502 2.966 5.978 276 HA GLU 33 HA GLU 33 -21.555 4.934 6.354 277 HB2 GLU 33 HB3 GLU 33 -23.891 3.233 7.251 278 HB3 GLU 33 HB2 GLU 33 -23.939 4.977 7.050 279 HG2 GLU 33 HG3 GLU 33 -23.361 3.006 4.850 280 HG3 GLU 33 HG2 GLU 33 -24.928 3.747 5.161 281 H1 GLY 1 H1 GLY 1 25.931 0.979 4.887 282 H2 GLY 1 H2 GLY 1 26.433 1.706 3.446 283 H3 GLY 1 H3 GLY 1 26.377 0.022 3.571 284 HA2 GLY 1 HA2 GLY 1 24.035 1.832 3.679 285 HA3 GLY 1 HA3 GLY 1 24.507 0.859 2.291 286 H SER 2 H SER 2 22.054 0.410 3.057 287 HA SER 2 HA SER 2 22.202 -2.261 4.216 288 HB2 SER 2 HB3 SER 2 20.272 -0.153 5.222 289 HB3 SER 2 HB2 SER 2 20.328 -1.839 5.740 290 HG SER 2 HG SER 2 22.768 -0.806 5.980 291 H MET 3 H MET 3 21.969 -1.890 1.618 292 HA MET 3 HA MET 3 19.394 -1.407 0.581 293 HB2 MET 3 HB3 MET 3 21.467 -1.345 -0.769 294 HB3 MET 3 HB2 MET 3 21.625 -3.085 -0.586 295 HG2 MET 3 HG3 MET 3 19.555 -3.424 -1.810 296 HG3 MET 3 HG2 MET 3 19.345 -1.679 -1.958 297 HE1 MET 3 HE1 MET 3 19.076 -1.927 -4.613 298 HE2 MET 3 HE2 MET 3 19.252 -3.671 -4.427 299 HE3 MET 3 HE3 MET 3 20.224 -2.809 -5.619 300 H LYS 4 H LYS 4 20.930 -4.260 1.874 301 HA LYS 4 HA LYS 4 19.182 -6.240 0.975 302 HB2 LYS 4 HB3 LYS 4 21.263 -6.798 2.081 303 HB3 LYS 4 HB2 LYS 4 20.728 -6.023 3.565 304 HG2 LYS 4 HG3 LYS 4 20.551 -8.385 3.837 305 HG3 LYS 4 HG2 LYS 4 18.924 -7.714 3.741 306 HD2 LYS 4 HD3 LYS 4 18.943 -9.692 2.422 307 HD3 LYS 4 HD2 LYS 4 18.923 -8.329 1.303 308 HE2 LYS 4 HE3 LYS 4 20.490 -10.052 0.571 309 HE3 LYS 4 HE2 LYS 4 21.331 -8.556 0.974 310 HZ1 LYS 4 HZ1 LYS 4 22.022 -9.482 3.044 311 HZ2 LYS 4 HZ2 LYS 4 22.420 -10.588 1.833 312 HZ3 LYS 4 HZ3 LYS 4 21.077 -10.865 2.821 313 H GLN 5 H GLN 5 19.041 -4.219 3.882 314 HA GLN 5 HA GLN 5 16.687 -5.333 4.955 315 HB2 GLN 5 HB3 GLN 5 17.779 -2.533 5.295 316 HB3 GLN 5 HB2 GLN 5 16.577 -3.298 6.322 317 HG2 GLN 5 HG3 GLN 5 18.207 -4.958 7.025 318 HG3 GLN 5 HG2 GLN 5 19.415 -4.231 5.967 319 HE21 GLN 5 HE21 GLN 5 20.819 -3.756 7.634 320 HE22 GLN 5 HE22 GLN 5 20.499 -2.517 8.798 321 H LEU 6 H LEU 6 17.282 -2.650 2.753 322 HA LEU 6 HA LEU 6 14.634 -1.706 2.630 323 HB2 LEU 6 HB3 LEU 6 17.076 -1.372 0.977 324 HB3 LEU 6 HB2 LEU 6 15.545 -0.957 0.236 325 HG LEU 6 HG LEU 6 16.627 1.012 1.187 326 HD11 LEU 6 HD11 LEU 6 14.181 0.896 1.123 327 HD12 LEU 6 HD12 LEU 6 14.764 1.857 2.481 328 HD13 LEU 6 HD13 LEU 6 14.177 0.218 2.750 329 HD21 LEU 6 HD21 LEU 6 16.385 -0.418 3.832 330 HD22 LEU 6 HD22 LEU 6 16.889 1.258 3.605 331 HD23 LEU 6 HD23 LEU 6 17.885 -0.055 2.977 332 H GLU 7 H GLU 7 16.320 -4.227 0.833 333 HA GLU 7 HA GLU 7 14.397 -4.696 -1.147 334 HB2 GLU 7 HB3 GLU 7 16.307 -6.592 0.222 335 HB3 GLU 7 HB2 GLU 7 15.315 -7.046 -1.158 336 HG2 GLU 7 HG3 GLU 7 17.361 -4.838 -1.145 337 HG3 GLU 7 HG2 GLU 7 17.612 -6.461 -1.787 338 H ASP 8 H ASP 8 14.628 -5.867 2.166 339 HA ASP 8 HA ASP 8 12.341 -7.586 1.972 340 HB2 ASP 8 HB3 ASP 8 13.867 -6.498 4.346 341 HB3 ASP 8 HB2 ASP 8 12.501 -7.599 4.498 342 H LYS 9 H LYS 9 12.955 -4.310 3.016 343 HA LYS 9 HA LYS 9 10.426 -3.873 4.233 344 HB2 LYS 9 HB3 LYS 9 12.611 -2.613 4.626 345 HB3 LYS 9 HB2 LYS 9 12.258 -1.745 3.140 346 HG2 LYS 9 HG3 LYS 9 10.151 -0.952 4.125 347 HG3 LYS 9 HG2 LYS 9 10.554 -1.793 5.622 348 HD2 LYS 9 HD3 LYS 9 12.167 0.421 4.352 349 HD3 LYS 9 HD2 LYS 9 11.107 0.592 5.751 350 HE2 LYS 9 HE3 LYS 9 13.572 -1.146 5.602 351 HE3 LYS 9 HE2 LYS 9 13.461 0.414 6.410 352 HZ1 LYS 9 HZ1 LYS 9 11.917 -2.015 7.137 353 HZ2 LYS 9 HZ2 LYS 9 11.820 -0.518 7.915 354 HZ3 LYS 9 HZ3 LYS 9 13.255 -1.410 7.974 355 H VAL 10 H VAL 10 11.775 -3.084 1.042 356 HA VAL 10 HA VAL 10 9.465 -1.690 0.148 357 HB VAL 10 HB VAL 10 11.750 -1.433 -0.851 358 HG11 VAL 10 HG11 VAL 10 11.101 -4.049 -2.194 359 HG12 VAL 10 HG12 VAL 10 12.388 -3.767 -1.023 360 HG13 VAL 10 HG13 VAL 10 12.448 -2.990 -2.605 361 HG21 VAL 10 HG21 VAL 10 9.803 -0.531 -1.963 362 HG22 VAL 10 HG22 VAL 10 9.499 -2.083 -2.745 363 HG23 VAL 10 HG23 VAL 10 10.943 -1.157 -3.155 364 H GLU 11 H GLU 11 10.489 -5.075 -0.045 365 HA GLU 11 HA GLU 11 8.361 -5.939 -1.715 366 HB2 GLU 11 HB3 GLU 11 10.349 -7.326 -1.345 367 HB3 GLU 11 HB2 GLU 11 9.943 -7.478 0.360 368 HG2 GLU 11 HG3 GLU 11 7.885 -8.658 -0.243 369 HG3 GLU 11 HG2 GLU 11 8.314 -8.523 -1.947 370 H GLU 12 H GLU 12 8.767 -5.648 1.774 371 HA GLU 12 HA GLU 12 6.339 -6.720 2.612 372 HB2 GLU 12 HB3 GLU 12 8.242 -5.977 4.080 373 HB3 GLU 12 HB2 GLU 12 7.709 -4.320 3.834 374 HG2 GLU 12 HG3 GLU 12 6.881 -5.093 5.937 375 HG3 GLU 12 HG2 GLU 12 5.522 -4.923 4.825 376 H LEU 13 H LEU 13 7.074 -3.295 1.840 377 HA LEU 13 HA LEU 13 4.360 -2.507 2.009 378 HB2 LEU 13 HB3 LEU 13 6.883 -1.242 1.105 379 HB3 LEU 13 HB2 LEU 13 5.364 -0.483 0.652 380 HG LEU 13 HG LEU 13 5.770 -1.289 3.483 381 HD11 LEU 13 HD11 LEU 13 6.899 1.225 2.231 382 HD12 LEU 13 HD12 LEU 13 7.832 -0.093 2.942 383 HD13 LEU 13 HD13 LEU 13 6.796 0.906 3.963 384 HD21 LEU 13 HD21 LEU 13 4.314 0.953 2.095 385 HD22 LEU 13 HD22 LEU 13 4.391 0.740 3.843 386 HD23 LEU 13 HD23 LEU 13 3.606 -0.480 2.840 387 H LEU 14 H LEU 14 6.335 -3.575 -0.717 388 HA LEU 14 HA LEU 14 4.563 -3.025 -2.775 389 HB2 LEU 14 HB3 LEU 14 6.826 -3.877 -3.114 390 HB3 LEU 14 HB2 LEU 14 6.397 -5.403 -2.386 391 HG LEU 14 HG LEU 14 6.628 -5.340 -4.899 392 HD11 LEU 14 HD11 LEU 14 5.581 -7.191 -3.738 393 HD12 LEU 14 HD12 LEU 14 4.776 -6.868 -5.275 394 HD13 LEU 14 HD13 LEU 14 4.033 -6.344 -3.764 395 HD21 LEU 14 HD21 LEU 14 4.755 -4.549 -6.207 396 HD22 LEU 14 HD22 LEU 14 5.433 -3.220 -5.266 397 HD23 LEU 14 HD23 LEU 14 3.937 -3.997 -4.748 398 H SER 15 H SER 15 4.655 -5.759 -0.526 399 HA SER 15 HA SER 15 2.273 -6.911 -1.609 400 HB2 SER 15 HB3 SER 15 2.426 -8.343 0.523 401 HB3 SER 15 HB2 SER 15 3.724 -8.489 -0.660 402 HG SER 15 HG SER 15 5.048 -7.306 0.630 403 H LYS 16 H LYS 16 3.001 -4.745 1.160 404 HA LYS 16 HA LYS 16 0.428 -4.766 2.287 405 HB2 LYS 16 HB3 LYS 16 2.440 -2.528 2.072 406 HB3 LYS 16 HB2 LYS 16 0.948 -2.393 2.989 407 HG2 LYS 16 HG3 LYS 16 1.639 -4.232 4.420 408 HG3 LYS 16 HG2 LYS 16 3.123 -4.414 3.486 409 HD2 LYS 16 HD3 LYS 16 3.562 -3.178 5.526 410 HD3 LYS 16 HD2 LYS 16 3.785 -2.136 4.122 411 HE2 LYS 16 HE3 LYS 16 2.601 -0.972 5.911 412 HE3 LYS 16 HE2 LYS 16 1.580 -1.156 4.486 413 HZ1 LYS 16 HZ1 LYS 16 0.455 -2.991 5.545 414 HZ2 LYS 16 HZ2 LYS 16 0.401 -1.639 6.558 415 HZ3 LYS 16 HZ3 LYS 16 1.477 -2.898 6.889 416 H ASN 17 H ASN 17 1.726 -2.745 -0.333 417 HA ASN 17 HA ASN 17 -0.490 -1.255 -0.986 418 HB2 ASN 17 HB3 ASN 17 1.635 -0.885 -2.069 419 HB3 ASN 17 HB2 ASN 17 1.608 -2.494 -2.778 420 HD21 ASN 17 HD21 ASN 17 0.382 -2.875 -4.593 421 HD22 ASN 17 HD22 ASN 17 -0.339 -1.607 -5.521 422 H TYR 18 H TYR 18 0.331 -4.520 -2.158 423 HA TYR 18 HA TYR 18 -2.012 -4.767 -3.729 424 HB2 TYR 18 HB3 TYR 18 0.075 -6.684 -2.785 425 HB3 TYR 18 HB2 TYR 18 -1.410 -7.307 -3.504 426 HD1 TYR 18 HD1 TYR 18 -2.003 -6.670 -5.829 427 HD2 TYR 18 HD2 TYR 18 1.774 -5.697 -4.140 428 HE1 TYR 18 HE1 TYR 18 -1.112 -6.260 -8.078 429 HE2 TYR 18 HE2 TYR 18 2.679 -5.284 -6.389 430 HH TYR 18 HH TYR 18 2.236 -5.855 -8.692 431 H HIS 19 H HIS 19 -1.249 -5.766 -0.413 432 HA HIS 19 HA HIS 19 -3.588 -7.202 0.112 433 HB2 HIS 19 HB3 HIS 19 -1.723 -5.625 1.852 434 HB3 HIS 19 HB2 HIS 19 -3.211 -6.274 2.531 435 HD1 HIS 19 HD1 HIS 19 0.210 -7.120 2.217 436 HD2 HIS 19 HD2 HIS 19 -3.342 -9.247 1.871 437 HE1 HIS 19 HE1 HIS 19 0.831 -9.532 2.539 438 HE2 HIS 19 HE2 HIS 19 -1.304 -10.807 2.165 439 H LEU 20 H LEU 20 -2.949 -3.736 0.297 440 HA LEU 20 HA LEU 20 -5.599 -3.152 1.240 441 HB2 LEU 20 HB3 LEU 20 -3.203 -1.551 0.505 442 HB3 LEU 20 HB2 LEU 20 -4.761 -0.746 0.520 443 HG LEU 20 HG LEU 20 -5.072 -1.201 2.848 444 HD11 LEU 20 HD11 LEU 20 -4.154 -3.475 2.864 445 HD12 LEU 20 HD12 LEU 20 -3.507 -2.485 4.178 446 HD13 LEU 20 HD13 LEU 20 -2.524 -2.806 2.749 447 HD21 LEU 20 HD21 LEU 20 -3.643 0.700 2.296 448 HD22 LEU 20 HD22 LEU 20 -2.224 -0.346 2.373 449 HD23 LEU 20 HD23 LEU 20 -3.176 -0.040 3.827 450 H GLU 21 H GLU 21 -3.942 -3.113 -1.870 451 HA GLU 21 HA GLU 21 -5.958 -1.894 -3.386 452 HB2 GLU 21 HB3 GLU 21 -3.580 -2.609 -4.094 453 HB3 GLU 21 HB2 GLU 21 -4.282 -4.190 -4.395 454 HG2 GLU 21 HG3 GLU 21 -5.562 -1.814 -5.631 455 HG3 GLU 21 HG2 GLU 21 -4.040 -2.392 -6.301 456 H ASN 22 H ASN 22 -5.494 -5.228 -2.362 457 HA ASN 22 HA ASN 22 -7.748 -6.343 -3.614 458 HB2 ASN 22 HB3 ASN 22 -6.047 -7.122 -1.289 459 HB3 ASN 22 HB2 ASN 22 -7.576 -7.960 -1.530 460 HD21 ASN 22 HD21 ASN 22 -4.389 -7.395 -2.774 461 HD22 ASN 22 HD22 ASN 22 -4.407 -8.657 -3.959 462 H GLU 23 H GLU 23 -7.375 -4.538 -0.627 463 HA GLU 23 HA GLU 23 -9.996 -5.153 0.351 464 HB2 GLU 23 HB3 GLU 23 -7.993 -3.036 1.143 465 HB3 GLU 23 HB2 GLU 23 -9.555 -3.269 1.956 466 HG2 GLU 23 HG3 GLU 23 -8.872 -5.583 2.488 467 HG3 GLU 23 HG2 GLU 23 -7.294 -5.254 1.772 468 H VAL 24 H VAL 24 -8.588 -2.565 -1.580 469 HA VAL 24 HA VAL 24 -10.895 -0.907 -1.523 470 HB VAL 24 HB VAL 24 -8.868 -1.013 -3.763 471 HG11 VAL 24 HG11 VAL 24 -9.481 1.322 -4.105 472 HG12 VAL 24 HG12 VAL 24 -10.624 1.235 -2.763 473 HG13 VAL 24 HG13 VAL 24 -10.900 0.280 -4.222 474 HG21 VAL 24 HG21 VAL 24 -7.690 -0.771 -1.642 475 HG22 VAL 24 HG22 VAL 24 -8.734 0.584 -1.209 476 HG23 VAL 24 HG23 VAL 24 -7.628 0.724 -2.575 477 H ALA 25 H ALA 25 -9.820 -3.568 -3.533 478 HA ALA 25 HA ALA 25 -11.658 -3.209 -5.648 479 HB1 ALA 25 HB1 ALA 25 -9.605 -4.578 -5.797 480 HB2 ALA 25 HB2 ALA 25 -11.049 -5.417 -6.365 481 HB3 ALA 25 HB3 ALA 25 -10.381 -5.791 -4.778 482 H ARG 26 H ARG 26 -11.843 -5.136 -2.673 483 HA ARG 26 HA ARG 26 -14.238 -6.446 -3.358 484 HB2 ARG 26 HB3 ARG 26 -14.389 -6.834 -0.835 485 HB3 ARG 26 HB2 ARG 26 -13.020 -7.516 -1.688 486 HG2 ARG 26 HG3 ARG 26 -11.640 -5.628 -0.908 487 HG3 ARG 26 HG2 ARG 26 -13.017 -5.022 0.013 488 HD2 ARG 26 HD2 ARG 26 -11.769 -7.742 0.364 489 HD3 ARG 26 HD1 ARG 26 -11.426 -6.341 1.376 490 HE ARG 26 HE ARG 26 -13.984 -6.432 1.767 491 HH11 ARG 26 HH11 ARG 26 -11.865 -9.192 1.395 492 HH12 ARG 26 HH12 ARG 26 -12.847 -10.238 2.365 493 HH21 ARG 26 HH21 ARG 26 -15.271 -7.800 3.059 494 HH22 ARG 26 HH22 ARG 26 -14.781 -9.441 3.329 495 H LEU 27 H LEU 27 -13.632 -3.546 -1.396 496 HA LEU 27 HA LEU 27 -16.362 -3.119 -0.753 497 HB2 LEU 27 HB3 LEU 27 -14.089 -1.146 -0.830 498 HB3 LEU 27 HB2 LEU 27 -15.651 -0.884 -0.092 499 HG LEU 27 HG LEU 27 -13.956 -3.150 0.819 500 HD11 LEU 27 HD11 LEU 27 -12.550 -1.160 0.843 501 HD12 LEU 27 HD12 LEU 27 -12.939 -1.715 2.472 502 HD13 LEU 27 HD13 LEU 27 -13.773 -0.318 1.791 503 HD21 LEU 27 HD21 LEU 27 -16.056 -1.413 2.095 504 HD22 LEU 27 HD22 LEU 27 -15.155 -2.679 2.934 505 HD23 LEU 27 HD23 LEU 27 -16.236 -3.098 1.606 506 H LYS 28 H LYS 28 -14.275 -1.931 -3.334 507 HA LYS 28 HA LYS 28 -15.880 -0.008 -4.472 508 HB2 LYS 28 HB3 LYS 28 -13.538 -0.780 -5.155 509 HB3 LYS 28 HB2 LYS 28 -14.343 -2.012 -6.114 510 HG2 LYS 28 HG3 LYS 28 -13.811 -0.197 -7.552 511 HG3 LYS 28 HG2 LYS 28 -15.558 -0.186 -7.303 512 HD2 LYS 28 HD3 LYS 28 -15.348 1.595 -5.675 513 HD3 LYS 28 HD2 LYS 28 -13.591 1.537 -5.800 514 HE2 LYS 28 HE3 LYS 28 -14.395 3.391 -7.094 515 HE3 LYS 28 HE2 LYS 28 -13.791 2.153 -8.193 516 HZ1 LYS 28 HZ1 LYS 28 -15.886 3.084 -8.955 517 HZ2 LYS 28 HZ2 LYS 28 -16.648 2.614 -7.523 518 HZ3 LYS 28 HZ3 LYS 28 -16.061 1.442 -8.593 519 H LYS 29 H LYS 29 -16.134 -3.515 -4.765 520 HA LYS 29 HA LYS 29 -18.347 -3.248 -6.633 521 HB2 LYS 29 HB3 LYS 29 -16.677 -4.973 -7.045 522 HB3 LYS 29 HB2 LYS 29 -17.032 -5.724 -5.499 523 HG2 LYS 29 HG3 LYS 29 -19.292 -6.234 -6.278 524 HG3 LYS 29 HG2 LYS 29 -18.933 -5.470 -7.826 525 HD2 LYS 29 HD3 LYS 29 -17.110 -7.116 -8.160 526 HD3 LYS 29 HD2 LYS 29 -17.609 -7.917 -6.668 527 HE2 LYS 29 HE3 LYS 29 -18.557 -9.057 -8.582 528 HE3 LYS 29 HE2 LYS 29 -19.832 -8.300 -7.633 529 HZ1 LYS 29 HZ1 LYS 29 -18.660 -7.210 -10.133 530 HZ2 LYS 29 HZ2 LYS 29 -19.890 -6.480 -9.228 531 HZ3 LYS 29 HZ3 LYS 29 -20.167 -7.963 -9.996 532 H LEU 30 H LEU 30 -17.938 -3.376 -3.281 533 HA LEU 30 HA LEU 30 -20.538 -4.531 -2.766 534 HB2 LEU 30 HB3 LEU 30 -18.630 -3.042 -0.967 535 HB3 LEU 30 HB2 LEU 30 -20.149 -3.736 -0.437 536 HG LEU 30 HG LEU 30 -17.812 -5.291 -1.547 537 HD11 LEU 30 HD11 LEU 30 -17.369 -4.389 0.670 538 HD12 LEU 30 HD12 LEU 30 -17.582 -6.138 0.729 539 HD13 LEU 30 HD13 LEU 30 -18.882 -5.072 1.261 540 HD21 LEU 30 HD21 LEU 30 -19.094 -7.263 -0.826 541 HD22 LEU 30 HD22 LEU 30 -19.918 -6.360 -2.096 542 HD23 LEU 30 HD23 LEU 30 -20.452 -6.215 -0.421 543 H VAL 31 H VAL 31 -19.108 -1.376 -3.168 544 HA VAL 31 HA VAL 31 -21.620 -0.022 -2.610 545 HB VAL 31 HB VAL 31 -19.136 1.234 -3.784 546 HG11 VAL 31 HG11 VAL 31 -21.176 2.581 -3.849 547 HG12 VAL 31 HG12 VAL 31 -19.980 3.269 -2.749 548 HG13 VAL 31 HG13 VAL 31 -21.363 2.383 -2.105 549 HG21 VAL 31 HG21 VAL 31 -18.490 0.031 -1.756 550 HG22 VAL 31 HG22 VAL 31 -19.764 0.857 -0.859 551 HG23 VAL 31 HG23 VAL 31 -18.413 1.777 -1.521 552 H GLY 32 H GLY 32 -19.829 -1.271 -5.294 553 HA2 GLY 32 HA3 GLY 32 -21.427 0.268 -7.213 554 HA3 GLY 32 HA2 GLY 32 -19.960 -0.624 -7.579 555 H GLU 33 H GLU 33 -20.542 -3.092 -6.476 556 HA GLU 33 HA GLU 33 -21.601 -5.056 -6.843 557 HB2 GLU 33 HB3 GLU 33 -23.931 -3.345 -7.736 558 HB3 GLU 33 HB2 GLU 33 -23.988 -5.090 -7.532 559 HG2 GLU 33 HG3 GLU 33 -23.391 -3.114 -5.341 560 HG3 GLU 33 HG2 GLU 33 -24.962 -3.855 -5.642 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 23.867 5.825 -6.811 2 H2 GLY 1 H2 GLY 1 25.193 4.880 -6.356 3 H3 GLY 1 H3 GLY 1 25.188 6.538 -6.037 4 HA2 GLY 1 HA2 GLY 1 24.735 5.280 -4.031 5 HA3 GLY 1 HA3 GLY 1 23.379 6.299 -4.491 6 H SER 2 H SER 2 24.077 3.370 -3.298 7 HA SER 2 HA SER 2 22.258 1.791 -4.910 8 HB2 SER 2 HB3 SER 2 22.814 0.022 -3.169 9 HB3 SER 2 HB2 SER 2 24.183 0.627 -4.102 10 HG SER 2 HG SER 2 24.989 0.926 -2.166 11 H MET 3 H MET 3 22.464 2.878 -1.543 12 HA MET 3 HA MET 3 19.867 1.984 -0.829 13 HB2 MET 3 HB3 MET 3 21.723 3.985 0.460 14 HB3 MET 3 HB2 MET 3 20.226 3.421 1.194 15 HG2 MET 3 HG3 MET 3 21.089 1.134 1.190 16 HG3 MET 3 HG2 MET 3 22.586 1.705 0.457 17 HE1 MET 3 HE1 MET 3 20.395 3.393 3.288 18 HE2 MET 3 HE2 MET 3 21.195 2.766 4.729 19 HE3 MET 3 HE3 MET 3 20.333 1.668 3.650 20 H LYS 4 H LYS 4 21.110 4.901 -2.238 21 HA LYS 4 HA LYS 4 19.038 6.689 -1.690 22 HB2 LYS 4 HB3 LYS 4 21.147 7.402 -2.674 23 HB3 LYS 4 HB2 LYS 4 20.806 6.486 -4.135 24 HG2 LYS 4 HG3 LYS 4 18.906 7.937 -4.610 25 HG3 LYS 4 HG2 LYS 4 19.232 8.852 -3.137 26 HD2 LYS 4 HD3 LYS 4 21.402 9.517 -4.008 27 HD3 LYS 4 HD2 LYS 4 21.137 8.548 -5.458 28 HE2 LYS 4 HE3 LYS 4 19.470 10.908 -4.591 29 HE3 LYS 4 HE2 LYS 4 20.704 10.932 -5.847 30 HZ1 LYS 4 HZ1 LYS 4 18.217 9.307 -5.899 31 HZ2 LYS 4 HZ2 LYS 4 19.400 9.329 -7.106 32 HZ3 LYS 4 HZ3 LYS 4 18.490 10.721 -6.788 33 H GLN 5 H GLN 5 19.376 4.297 -4.263 34 HA GLN 5 HA GLN 5 17.022 5.063 -5.660 35 HB2 GLN 5 HB3 GLN 5 18.628 2.503 -5.695 36 HB3 GLN 5 HB2 GLN 5 17.307 2.851 -6.800 37 HG2 GLN 5 HG3 GLN 5 18.507 4.682 -7.763 38 HG3 GLN 5 HG2 GLN 5 19.778 4.547 -6.548 39 HE21 GLN 5 HE21 GLN 5 21.289 2.917 -6.710 40 HE22 GLN 5 HE22 GLN 5 21.489 1.971 -8.147 41 H LEU 6 H LEU 6 17.764 2.546 -3.291 42 HA LEU 6 HA LEU 6 15.209 1.321 -3.418 43 HB2 LEU 6 HB3 LEU 6 17.557 1.112 -1.585 44 HB3 LEU 6 HB2 LEU 6 16.033 0.406 -1.096 45 HG LEU 6 HG LEU 6 17.466 -1.279 -2.091 46 HD11 LEU 6 HD11 LEU 6 15.183 -0.599 -3.935 47 HD12 LEU 6 HD12 LEU 6 15.043 -1.464 -2.405 48 HD13 LEU 6 HD13 LEU 6 15.945 -2.178 -3.742 49 HD21 LEU 6 HD21 LEU 6 18.819 0.140 -3.530 50 HD22 LEU 6 HD22 LEU 6 17.425 0.437 -4.569 51 HD23 LEU 6 HD23 LEU 6 18.105 -1.185 -4.449 52 H GLU 7 H GLU 7 16.572 3.845 -1.356 53 HA GLU 7 HA GLU 7 14.477 3.802 0.553 54 HB2 GLU 7 HB3 GLU 7 15.358 5.852 1.403 55 HB3 GLU 7 HB2 GLU 7 16.717 4.842 0.940 56 HG2 GLU 7 HG3 GLU 7 16.977 6.121 -1.115 57 HG3 GLU 7 HG2 GLU 7 15.600 7.126 -0.669 58 H ASP 8 H ASP 8 14.759 5.160 -2.605 59 HA ASP 8 HA ASP 8 12.526 6.955 -2.317 60 HB2 ASP 8 HB3 ASP 8 14.254 6.074 -4.588 61 HB3 ASP 8 HB2 ASP 8 12.681 6.777 -4.955 62 H LYS 9 H LYS 9 13.073 3.680 -3.396 63 HA LYS 9 HA LYS 9 10.518 3.243 -4.532 64 HB2 LYS 9 HB3 LYS 9 12.584 1.342 -3.427 65 HB3 LYS 9 HB2 LYS 9 11.098 0.808 -4.197 66 HG2 LYS 9 HG3 LYS 9 13.191 2.517 -5.522 67 HG3 LYS 9 HG2 LYS 9 13.057 0.765 -5.696 68 HD2 LYS 9 HD3 LYS 9 10.763 1.074 -6.582 69 HD3 LYS 9 HD2 LYS 9 11.000 2.820 -6.502 70 HE2 LYS 9 HE3 LYS 9 12.886 2.630 -8.048 71 HE3 LYS 9 HE2 LYS 9 12.641 0.887 -8.133 72 HZ1 LYS 9 HZ1 LYS 9 10.449 1.280 -9.075 73 HZ2 LYS 9 HZ2 LYS 9 11.644 2.011 -10.019 74 HZ3 LYS 9 HZ3 LYS 9 10.688 2.952 -8.992 75 H VAL 10 H VAL 10 11.880 2.354 -1.357 76 HA VAL 10 HA VAL 10 9.516 1.182 -0.383 77 HB VAL 10 HB VAL 10 11.655 0.704 0.658 78 HG11 VAL 10 HG11 VAL 10 12.792 2.307 2.096 79 HG12 VAL 10 HG12 VAL 10 11.615 3.546 1.657 80 HG13 VAL 10 HG13 VAL 10 12.703 2.892 0.434 81 HG21 VAL 10 HG21 VAL 10 10.999 0.971 3.038 82 HG22 VAL 10 HG22 VAL 10 9.714 0.325 2.016 83 HG23 VAL 10 HG23 VAL 10 9.679 2.016 2.514 84 H GLU 11 H GLU 11 10.736 4.507 -0.133 85 HA GLU 11 HA GLU 11 8.675 5.418 1.595 86 HB2 GLU 11 HB3 GLU 11 10.813 6.615 1.308 87 HB3 GLU 11 HB2 GLU 11 10.372 6.996 -0.349 88 HG2 GLU 11 HG3 GLU 11 8.462 8.291 0.458 89 HG3 GLU 11 HG2 GLU 11 8.916 7.920 2.120 90 H GLU 12 H GLU 12 9.039 5.264 -1.906 91 HA GLU 12 HA GLU 12 6.818 6.781 -2.640 92 HB2 GLU 12 HB3 GLU 12 8.534 5.997 -4.223 93 HB3 GLU 12 HB2 GLU 12 7.939 4.352 -4.045 94 HG2 GLU 12 HG3 GLU 12 5.835 4.953 -5.040 95 HG3 GLU 12 HG2 GLU 12 6.309 6.651 -5.099 96 H LEU 13 H LEU 13 6.973 3.202 -2.355 97 HA LEU 13 HA LEU 13 4.135 3.011 -2.516 98 HB2 LEU 13 HB3 LEU 13 6.201 0.956 -1.780 99 HB3 LEU 13 HB2 LEU 13 4.481 0.617 -1.807 100 HG LEU 13 HG LEU 13 4.678 1.650 -4.237 101 HD11 LEU 13 HD11 LEU 13 7.046 2.171 -4.089 102 HD12 LEU 13 HD12 LEU 13 6.755 0.944 -5.322 103 HD13 LEU 13 HD13 LEU 13 7.415 0.479 -3.753 104 HD21 LEU 13 HD21 LEU 13 3.807 -0.554 -3.681 105 HD22 LEU 13 HD22 LEU 13 5.452 -1.175 -3.524 106 HD23 LEU 13 HD23 LEU 13 4.861 -0.629 -5.093 107 H LEU 14 H LEU 14 6.281 3.455 0.194 108 HA LEU 14 HA LEU 14 4.506 2.769 2.240 109 HB2 LEU 14 HB3 LEU 14 6.842 3.328 2.655 110 HB3 LEU 14 HB2 LEU 14 6.595 4.962 2.100 111 HG LEU 14 HG LEU 14 6.823 4.617 4.590 112 HD11 LEU 14 HD11 LEU 14 5.977 6.685 3.665 113 HD12 LEU 14 HD12 LEU 14 5.134 6.275 5.160 114 HD13 LEU 14 HD13 LEU 14 4.348 6.009 3.603 115 HD21 LEU 14 HD21 LEU 14 4.871 3.907 5.835 116 HD22 LEU 14 HD22 LEU 14 5.427 2.614 4.771 117 HD23 LEU 14 HD23 LEU 14 4.012 3.573 4.332 118 H SER 15 H SER 15 4.888 5.752 0.371 119 HA SER 15 HA SER 15 2.686 7.079 1.597 120 HB2 SER 15 HB3 SER 15 4.588 8.250 0.477 121 HB3 SER 15 HB2 SER 15 3.998 7.650 -1.073 122 HG SER 15 HG SER 15 2.616 9.361 0.723 123 H LYS 16 H LYS 16 3.161 5.292 -1.448 124 HA LYS 16 HA LYS 16 0.615 5.658 -2.530 125 HB2 LYS 16 HB3 LYS 16 2.743 4.567 -3.538 126 HB3 LYS 16 HB2 LYS 16 2.123 3.078 -2.841 127 HG2 LYS 16 HG3 LYS 16 0.144 3.193 -4.177 128 HG3 LYS 16 HG2 LYS 16 0.571 4.805 -4.756 129 HD2 LYS 16 HD3 LYS 16 1.209 3.430 -6.519 130 HD3 LYS 16 HD2 LYS 16 2.715 3.674 -5.640 131 HE2 LYS 16 HE3 LYS 16 2.707 1.391 -6.068 132 HE3 LYS 16 HE2 LYS 16 2.109 1.495 -4.414 133 HZ1 LYS 16 HZ1 LYS 16 0.468 1.131 -6.864 134 HZ2 LYS 16 HZ2 LYS 16 -0.161 1.337 -5.313 135 HZ3 LYS 16 HZ3 LYS 16 0.764 -0.030 -5.670 136 H ASN 17 H ASN 17 1.733 3.309 -0.131 137 HA ASN 17 HA ASN 17 -0.560 1.683 -0.093 138 HB2 ASN 17 HB3 ASN 17 1.580 1.011 0.911 139 HB3 ASN 17 HB2 ASN 17 1.410 2.269 2.130 140 HD21 ASN 17 HD21 ASN 17 0.245 -0.810 1.005 141 HD22 ASN 17 HD22 ASN 17 -0.610 -1.238 2.443 142 H TYR 18 H TYR 18 0.326 4.500 1.912 143 HA TYR 18 HA TYR 18 -2.064 4.417 3.432 144 HB2 TYR 18 HB3 TYR 18 -0.013 6.577 2.997 145 HB3 TYR 18 HB2 TYR 18 -1.441 6.832 3.997 146 HD1 TYR 18 HD1 TYR 18 1.904 6.084 4.185 147 HD2 TYR 18 HD2 TYR 18 -1.831 4.688 5.661 148 HE1 TYR 18 HE1 TYR 18 3.052 5.036 6.090 149 HE2 TYR 18 HE2 TYR 18 -0.694 3.636 7.570 150 HH TYR 18 HH TYR 18 1.466 2.836 8.212 151 H HIS 19 H HIS 19 -1.186 6.006 0.424 152 HA HIS 19 HA HIS 19 -3.533 7.584 0.195 153 HB2 HIS 19 HB3 HIS 19 -1.691 6.464 -1.928 154 HB3 HIS 19 HB2 HIS 19 -3.005 7.586 -2.265 155 HD1 HIS 19 HD1 HIS 19 -0.212 8.447 -2.998 156 HD2 HIS 19 HD2 HIS 19 -1.912 9.206 0.716 157 HE1 HIS 19 HE1 HIS 19 1.047 10.412 -2.067 158 HE2 HIS 19 HE2 HIS 19 -0.128 10.966 0.088 159 H LEU 20 H LEU 20 -2.734 4.286 -0.663 160 HA LEU 20 HA LEU 20 -5.173 3.724 -2.007 161 HB2 LEU 20 HB3 LEU 20 -3.132 2.459 -2.414 162 HB3 LEU 20 HB2 LEU 20 -3.105 1.927 -0.745 163 HG LEU 20 HG LEU 20 -5.197 0.689 -1.129 164 HD11 LEU 20 HD11 LEU 20 -6.112 2.015 -2.954 165 HD12 LEU 20 HD12 LEU 20 -5.971 0.320 -3.423 166 HD13 LEU 20 HD13 LEU 20 -4.794 1.498 -4.004 167 HD21 LEU 20 HD21 LEU 20 -2.972 0.010 -3.040 168 HD22 LEU 20 HD22 LEU 20 -4.193 -1.102 -2.430 169 HD23 LEU 20 HD23 LEU 20 -3.016 -0.396 -1.327 170 H GLU 21 H GLU 21 -4.049 3.562 1.312 171 HA GLU 21 HA GLU 21 -6.254 2.143 2.377 172 HB2 GLU 21 HB3 GLU 21 -4.056 2.605 3.546 173 HB3 GLU 21 HB2 GLU 21 -4.633 4.243 3.820 174 HG2 GLU 21 HG3 GLU 21 -6.539 3.351 5.077 175 HG3 GLU 21 HG2 GLU 21 -5.928 1.717 4.823 176 H ASN 22 H ASN 22 -5.648 5.540 1.716 177 HA ASN 22 HA ASN 22 -7.979 6.639 2.816 178 HB2 ASN 22 HB3 ASN 22 -6.482 7.514 0.336 179 HB3 ASN 22 HB2 ASN 22 -7.674 8.478 1.192 180 HD21 ASN 22 HD21 ASN 22 -6.715 7.572 3.822 181 HD22 ASN 22 HD22 ASN 22 -5.229 8.414 4.086 182 H GLU 23 H GLU 23 -7.377 4.877 -0.111 183 HA GLU 23 HA GLU 23 -9.760 5.577 -1.477 184 HB2 GLU 23 HB3 GLU 23 -7.725 4.715 -2.608 185 HB3 GLU 23 HB2 GLU 23 -8.022 3.129 -1.862 186 HG2 GLU 23 HG3 GLU 23 -10.148 2.976 -3.048 187 HG3 GLU 23 HG2 GLU 23 -9.861 4.553 -3.781 188 H VAL 24 H VAL 24 -8.849 2.915 0.667 189 HA VAL 24 HA VAL 24 -11.229 1.408 0.336 190 HB VAL 24 HB VAL 24 -9.810 1.391 2.970 191 HG11 VAL 24 HG11 VAL 24 -10.873 -0.820 1.208 192 HG12 VAL 24 HG12 VAL 24 -11.700 -0.109 2.595 193 HG13 VAL 24 HG13 VAL 24 -10.204 -1.013 2.828 194 HG21 VAL 24 HG21 VAL 24 -8.186 -0.282 1.861 195 HG22 VAL 24 HG22 VAL 24 -7.879 1.443 1.703 196 HG23 VAL 24 HG23 VAL 24 -8.604 0.558 0.369 197 H ALA 25 H ALA 25 -10.306 4.117 2.329 198 HA ALA 25 HA ALA 25 -12.497 4.045 4.118 199 HB1 ALA 25 HB1 ALA 25 -10.419 5.302 4.542 200 HB2 ALA 25 HB2 ALA 25 -11.871 6.281 4.744 201 HB3 ALA 25 HB3 ALA 25 -10.890 6.451 3.289 202 H ARG 26 H ARG 26 -12.120 5.311 0.891 203 HA ARG 26 HA ARG 26 -14.394 6.992 0.860 204 HB2 ARG 26 HB3 ARG 26 -13.700 5.475 -1.611 205 HB3 ARG 26 HB2 ARG 26 -14.142 7.162 -1.426 206 HG2 ARG 26 HG3 ARG 26 -11.833 7.386 -0.282 207 HG3 ARG 26 HG2 ARG 26 -11.496 5.844 -1.084 208 HD2 ARG 26 HD2 ARG 26 -10.746 7.710 -2.454 209 HD3 ARG 26 HD1 ARG 26 -12.057 6.831 -3.240 210 HE ARG 26 HE ARG 26 -13.221 8.918 -1.821 211 HH11 ARG 26 HH11 ARG 26 -10.950 8.545 -4.455 212 HH12 ARG 26 HH12 ARG 26 -11.431 10.005 -5.252 213 HH21 ARG 26 HH21 ARG 26 -13.853 10.859 -2.863 214 HH22 ARG 26 HH22 ARG 26 -13.072 11.329 -4.338 215 H LEU 27 H LEU 27 -13.918 3.629 -0.110 216 HA LEU 27 HA LEU 27 -16.518 3.241 -1.083 217 HB2 LEU 27 HB3 LEU 27 -14.355 1.350 -0.241 218 HB3 LEU 27 HB2 LEU 27 -15.936 0.762 -0.703 219 HG LEU 27 HG LEU 27 -15.678 1.839 -2.910 220 HD11 LEU 27 HD11 LEU 27 -12.889 2.429 -1.952 221 HD12 LEU 27 HD12 LEU 27 -14.126 3.604 -2.401 222 HD13 LEU 27 HD13 LEU 27 -13.432 2.543 -3.627 223 HD21 LEU 27 HD21 LEU 27 -15.187 -0.477 -2.691 224 HD22 LEU 27 HD22 LEU 27 -13.566 -0.123 -2.090 225 HD23 LEU 27 HD23 LEU 27 -13.990 0.258 -3.760 226 H LYS 28 H LYS 28 -15.145 2.426 2.131 227 HA LYS 28 HA LYS 28 -17.490 1.107 2.960 228 HB2 LYS 28 HB3 LYS 28 -16.649 1.488 5.317 229 HB3 LYS 28 HB2 LYS 28 -15.624 0.568 4.235 230 HG2 LYS 28 HG3 LYS 28 -14.252 2.596 3.881 231 HG3 LYS 28 HG2 LYS 28 -15.251 3.432 5.078 232 HD2 LYS 28 HD3 LYS 28 -14.638 1.789 6.766 233 HD3 LYS 28 HD2 LYS 28 -13.691 0.893 5.577 234 HE2 LYS 28 HE3 LYS 28 -12.144 2.726 5.367 235 HE3 LYS 28 HE2 LYS 28 -13.136 3.737 6.419 236 HZ1 LYS 28 HZ1 LYS 28 -11.270 2.817 7.621 237 HZ2 LYS 28 HZ2 LYS 28 -11.728 1.244 7.205 238 HZ3 LYS 28 HZ3 LYS 28 -12.710 2.167 8.225 239 H LYS 29 H LYS 29 -16.750 4.522 2.889 240 HA LYS 29 HA LYS 29 -18.881 5.346 4.542 241 HB2 LYS 29 HB3 LYS 29 -17.521 6.726 2.229 242 HB3 LYS 29 HB2 LYS 29 -18.697 7.496 3.275 243 HG2 LYS 29 HG3 LYS 29 -17.204 7.020 5.206 244 HG3 LYS 29 HG2 LYS 29 -16.001 6.427 4.064 245 HD2 LYS 29 HD3 LYS 29 -17.169 9.198 3.917 246 HD3 LYS 29 HD2 LYS 29 -15.729 8.818 4.858 247 HE2 LYS 29 HE3 LYS 29 -14.892 9.608 2.828 248 HE3 LYS 29 HE2 LYS 29 -14.783 7.857 2.685 249 HZ1 LYS 29 HZ1 LYS 29 -17.001 9.485 1.567 250 HZ2 LYS 29 HZ2 LYS 29 -16.726 7.838 1.311 251 HZ3 LYS 29 HZ3 LYS 29 -15.653 8.981 0.680 252 H LEU 30 H LEU 30 -18.630 4.506 1.137 253 HA LEU 30 HA LEU 30 -21.340 5.134 0.482 254 HB2 LEU 30 HB3 LEU 30 -19.160 3.581 -0.848 255 HB3 LEU 30 HB2 LEU 30 -20.800 3.450 -1.449 256 HG LEU 30 HG LEU 30 -20.814 5.935 -1.767 257 HD11 LEU 30 HD11 LEU 30 -19.053 6.520 -0.186 258 HD12 LEU 30 HD12 LEU 30 -18.687 7.120 -1.802 259 HD13 LEU 30 HD13 LEU 30 -17.867 5.684 -1.188 260 HD21 LEU 30 HD21 LEU 30 -19.427 5.887 -3.785 261 HD22 LEU 30 HD22 LEU 30 -20.413 4.434 -3.627 262 HD23 LEU 30 HD23 LEU 30 -18.694 4.380 -3.237 263 H VAL 31 H VAL 31 -19.655 2.282 1.651 264 HA VAL 31 HA VAL 31 -21.820 0.469 1.374 265 HB VAL 31 HB VAL 31 -19.534 0.340 3.372 266 HG11 VAL 31 HG11 VAL 31 -19.983 -2.042 3.464 267 HG12 VAL 31 HG12 VAL 31 -21.310 -1.862 2.318 268 HG13 VAL 31 HG13 VAL 31 -21.427 -1.141 3.924 269 HG21 VAL 31 HG21 VAL 31 -18.444 -1.125 1.753 270 HG22 VAL 31 HG22 VAL 31 -18.717 0.483 1.085 271 HG23 VAL 31 HG23 VAL 31 -19.764 -0.855 0.615 272 H GLY 32 H GLY 32 -21.015 2.907 3.715 273 HA2 GLY 32 HA3 GLY 32 -23.226 3.659 4.776 274 HA3 GLY 32 HA2 GLY 32 -23.240 2.029 5.432 275 H GLU 33 H GLU 33 -20.557 4.298 5.036 276 HA GLU 33 HA GLU 33 -19.029 5.150 6.474 277 HB2 GLU 33 HB3 GLU 33 -21.387 5.073 8.351 278 HB3 GLU 33 HB2 GLU 33 -19.852 5.835 8.740 279 HG2 GLU 33 HG3 GLU 33 -20.131 7.357 6.849 280 HG3 GLU 33 HG2 GLU 33 -21.677 6.597 6.473 281 H1 GLY 1 H1 GLY 1 23.895 -6.034 6.107 282 H2 GLY 1 H2 GLY 1 25.211 -5.079 5.645 283 H3 GLY 1 H3 GLY 1 25.216 -6.738 5.320 284 HA2 GLY 1 HA2 GLY 1 24.740 -5.481 3.322 285 HA3 GLY 1 HA3 GLY 1 23.386 -6.499 3.793 286 H SER 2 H SER 2 24.091 -3.565 2.612 287 HA SER 2 HA SER 2 22.277 -1.994 4.232 288 HB2 SER 2 HB3 SER 2 22.833 -0.219 2.492 289 HB3 SER 2 HB2 SER 2 24.202 -0.828 3.425 290 HG SER 2 HG SER 2 24.992 -1.082 1.469 291 H MET 3 H MET 3 22.471 -3.071 0.860 292 HA MET 3 HA MET 3 19.874 -2.172 0.160 293 HB2 MET 3 HB3 MET 3 21.722 -4.168 -1.146 294 HB3 MET 3 HB2 MET 3 20.222 -3.600 -1.870 295 HG2 MET 3 HG3 MET 3 21.090 -1.315 -1.865 296 HG3 MET 3 HG2 MET 3 22.591 -1.890 -1.142 297 HE1 MET 3 HE1 MET 3 20.373 -3.555 -3.973 298 HE2 MET 3 HE2 MET 3 21.168 -2.920 -5.413 299 HE3 MET 3 HE3 MET 3 20.320 -1.826 -4.320 300 H LYS 4 H LYS 4 21.124 -5.101 1.547 301 HA LYS 4 HA LYS 4 19.041 -6.875 1.005 302 HB2 LYS 4 HB3 LYS 4 21.148 -7.601 1.980 303 HB3 LYS 4 HB2 LYS 4 20.819 -6.684 3.442 304 HG2 LYS 4 HG3 LYS 4 18.916 -8.132 3.929 305 HG3 LYS 4 HG2 LYS 4 19.229 -9.041 2.450 306 HD2 LYS 4 HD3 LYS 4 21.404 -9.714 3.301 307 HD3 LYS 4 HD2 LYS 4 21.147 -8.757 4.761 308 HE2 LYS 4 HE3 LYS 4 19.470 -11.106 3.881 309 HE3 LYS 4 HE2 LYS 4 20.712 -11.146 5.130 310 HZ1 LYS 4 HZ1 LYS 4 18.234 -9.514 5.212 311 HZ2 LYS 4 HZ2 LYS 4 19.423 -9.550 6.409 312 HZ3 LYS 4 HZ3 LYS 4 18.511 -10.933 6.088 313 H GLN 5 H GLN 5 19.395 -4.495 3.587 314 HA GLN 5 HA GLN 5 17.045 -5.265 4.991 315 HB2 GLN 5 HB3 GLN 5 18.656 -2.710 5.030 316 HB3 GLN 5 HB2 GLN 5 17.337 -3.060 6.139 317 HG2 GLN 5 HG3 GLN 5 18.535 -4.902 7.083 318 HG3 GLN 5 HG2 GLN 5 19.804 -4.758 5.868 319 HE21 GLN 5 HE21 GLN 5 21.311 -3.129 6.040 320 HE22 GLN 5 HE22 GLN 5 21.518 -2.197 7.484 321 H LEU 6 H LEU 6 17.780 -2.733 2.636 322 HA LEU 6 HA LEU 6 15.226 -1.510 2.772 323 HB2 LEU 6 HB3 LEU 6 17.568 -1.295 0.932 324 HB3 LEU 6 HB2 LEU 6 16.043 -0.586 0.450 325 HG LEU 6 HG LEU 6 17.480 1.094 1.444 326 HD11 LEU 6 HD11 LEU 6 15.206 0.407 3.297 327 HD12 LEU 6 HD12 LEU 6 15.058 1.281 1.773 328 HD13 LEU 6 HD13 LEU 6 15.969 1.985 3.109 329 HD21 LEU 6 HD21 LEU 6 18.836 -0.331 2.872 330 HD22 LEU 6 HD22 LEU 6 17.447 -0.632 3.914 331 HD23 LEU 6 HD23 LEU 6 18.129 0.991 3.800 332 H GLU 7 H GLU 7 16.579 -4.030 0.687 333 HA GLU 7 HA GLU 7 14.471 -3.973 -1.210 334 HB2 GLU 7 HB3 GLU 7 15.343 -6.025 -2.074 335 HB3 GLU 7 HB2 GLU 7 16.704 -5.013 -1.618 336 HG2 GLU 7 HG3 GLU 7 16.978 -6.299 0.436 337 HG3 GLU 7 HG2 GLU 7 15.604 -7.310 -0.013 338 H ASP 8 H ASP 8 14.765 -5.347 1.938 339 HA ASP 8 HA ASP 8 12.524 -7.132 1.654 340 HB2 ASP 8 HB3 ASP 8 14.271 -6.268 3.914 341 HB3 ASP 8 HB2 ASP 8 12.699 -6.963 4.292 342 H LYS 9 H LYS 9 13.085 -3.860 2.736 343 HA LYS 9 HA LYS 9 10.536 -3.432 3.899 344 HB2 LYS 9 HB3 LYS 9 12.599 -1.523 2.795 345 HB3 LYS 9 HB2 LYS 9 11.117 -0.992 3.575 346 HG2 LYS 9 HG3 LYS 9 13.213 -2.712 4.878 347 HG3 LYS 9 HG2 LYS 9 13.084 -0.962 5.062 348 HD2 LYS 9 HD3 LYS 9 10.793 -1.274 5.961 349 HD3 LYS 9 HD2 LYS 9 11.031 -3.020 5.872 350 HE2 LYS 9 HE3 LYS 9 12.926 -2.835 7.411 351 HE3 LYS 9 HE2 LYS 9 12.684 -1.092 7.499 352 HZ1 LYS 9 HZ1 LYS 9 10.500 -1.481 8.455 353 HZ2 LYS 9 HZ2 LYS 9 11.700 -2.220 9.388 354 HZ3 LYS 9 HZ3 LYS 9 10.733 -3.154 8.368 355 H VAL 10 H VAL 10 11.885 -2.528 0.724 356 HA VAL 10 HA VAL 10 9.518 -1.350 -0.237 357 HB VAL 10 HB VAL 10 11.655 -0.867 -1.282 358 HG11 VAL 10 HG11 VAL 10 12.786 -2.465 -2.733 359 HG12 VAL 10 HG12 VAL 10 11.609 -3.703 -2.296 360 HG13 VAL 10 HG13 VAL 10 12.703 -3.058 -1.074 361 HG21 VAL 10 HG21 VAL 10 10.989 -1.122 -3.662 362 HG22 VAL 10 HG22 VAL 10 9.714 -0.474 -2.631 363 HG23 VAL 10 HG23 VAL 10 9.667 -2.162 -3.136 364 H GLU 11 H GLU 11 10.735 -4.673 -0.504 365 HA GLU 11 HA GLU 11 8.671 -5.571 -2.235 366 HB2 GLU 11 HB3 GLU 11 10.802 -6.779 -1.960 367 HB3 GLU 11 HB2 GLU 11 10.370 -7.161 -0.300 368 HG2 GLU 11 HG3 GLU 11 8.450 -8.447 -1.102 369 HG3 GLU 11 HG2 GLU 11 8.903 -8.076 -2.764 370 H GLU 12 H GLU 12 9.044 -5.440 1.266 371 HA GLU 12 HA GLU 12 6.822 -6.955 2.004 372 HB2 GLU 12 HB3 GLU 12 8.546 -6.176 3.584 373 HB3 GLU 12 HB2 GLU 12 7.954 -4.530 3.413 374 HG2 GLU 12 HG3 GLU 12 5.851 -5.132 4.417 375 HG3 GLU 12 HG2 GLU 12 6.325 -6.829 4.472 376 H LEU 13 H LEU 13 6.982 -3.375 1.734 377 HA LEU 13 HA LEU 13 4.147 -3.180 1.907 378 HB2 LEU 13 HB3 LEU 13 6.212 -1.124 1.173 379 HB3 LEU 13 HB2 LEU 13 4.492 -0.783 1.208 380 HG LEU 13 HG LEU 13 4.698 -1.826 3.632 381 HD11 LEU 13 HD11 LEU 13 7.063 -2.351 3.470 382 HD12 LEU 13 HD12 LEU 13 6.782 -1.129 4.710 383 HD13 LEU 13 HD13 LEU 13 7.435 -0.659 3.141 384 HD21 LEU 13 HD21 LEU 13 3.829 0.385 3.089 385 HD22 LEU 13 HD22 LEU 13 5.475 1.003 2.929 386 HD23 LEU 13 HD23 LEU 13 4.889 0.449 4.497 387 H LEU 14 H LEU 14 6.280 -3.616 -0.813 388 HA LEU 14 HA LEU 14 4.495 -2.916 -2.847 389 HB2 LEU 14 HB3 LEU 14 6.827 -3.473 -3.276 390 HB3 LEU 14 HB2 LEU 14 6.584 -5.109 -2.728 391 HG LEU 14 HG LEU 14 6.801 -4.755 -5.217 392 HD11 LEU 14 HD11 LEU 14 5.955 -6.824 -4.300 393 HD12 LEU 14 HD12 LEU 14 5.103 -6.407 -5.788 394 HD13 LEU 14 HD13 LEU 14 4.328 -6.146 -4.224 395 HD21 LEU 14 HD21 LEU 14 4.845 -4.037 -6.451 396 HD22 LEU 14 HD22 LEU 14 5.407 -2.752 -5.381 397 HD23 LEU 14 HD23 LEU 14 3.992 -3.708 -4.943 398 H SER 15 H SER 15 4.881 -5.902 -0.993 399 HA SER 15 HA SER 15 2.675 -7.226 -2.218 400 HB2 SER 15 HB3 SER 15 4.588 -8.396 -1.108 401 HB3 SER 15 HB2 SER 15 3.995 -7.810 0.444 402 HG SER 15 HG SER 15 2.611 -9.505 -1.366 403 H LYS 16 H LYS 16 3.163 -5.451 0.834 404 HA LYS 16 HA LYS 16 0.620 -5.818 1.925 405 HB2 LYS 16 HB3 LYS 16 2.755 -4.736 2.926 406 HB3 LYS 16 HB2 LYS 16 2.135 -3.243 2.238 407 HG2 LYS 16 HG3 LYS 16 0.164 -3.357 3.585 408 HG3 LYS 16 HG2 LYS 16 0.588 -4.970 4.156 409 HD2 LYS 16 HD3 LYS 16 1.237 -3.605 5.920 410 HD3 LYS 16 HD2 LYS 16 2.741 -3.852 5.034 411 HE2 LYS 16 HE3 LYS 16 2.739 -1.566 5.467 412 HE3 LYS 16 HE2 LYS 16 2.133 -1.667 3.817 413 HZ1 LYS 16 HZ1 LYS 16 0.505 -1.309 6.272 414 HZ2 LYS 16 HZ2 LYS 16 -0.131 -1.511 4.724 415 HZ3 LYS 16 HZ3 LYS 16 0.793 -0.146 5.080 416 H ASN 17 H ASN 17 1.730 -3.463 -0.470 417 HA ASN 17 HA ASN 17 -0.558 -1.832 -0.486 418 HB2 ASN 17 HB3 ASN 17 1.576 -1.155 -1.498 419 HB3 ASN 17 HB2 ASN 17 1.401 -2.407 -2.722 420 HD21 ASN 17 HD21 ASN 17 0.244 0.670 -1.582 421 HD22 ASN 17 HD22 ASN 17 -0.619 1.102 -3.015 422 H TYR 18 H TYR 18 0.315 -4.640 -2.508 423 HA TYR 18 HA TYR 18 -2.079 -4.548 -4.018 424 HB2 TYR 18 HB3 TYR 18 -0.029 -6.712 -3.601 425 HB3 TYR 18 HB2 TYR 18 -1.461 -6.962 -4.595 426 HD1 TYR 18 HD1 TYR 18 1.881 -6.220 -4.795 427 HD2 TYR 18 HD2 TYR 18 -1.858 -4.805 -6.247 428 HE1 TYR 18 HE1 TYR 18 3.022 -5.170 -6.702 429 HE2 TYR 18 HE2 TYR 18 -0.727 -3.751 -8.154 430 HH TYR 18 HH TYR 18 1.440 -2.955 -8.801 431 H HIS 19 H HIS 19 -1.193 -6.158 -1.024 432 HA HIS 19 HA HIS 19 -3.544 -7.727 -0.789 433 HB2 HIS 19 HB3 HIS 19 -1.686 -6.622 1.329 434 HB3 HIS 19 HB2 HIS 19 -3.002 -7.737 1.671 435 HD1 HIS 19 HD1 HIS 19 -0.214 -8.621 2.392 436 HD2 HIS 19 HD2 HIS 19 -1.919 -9.343 -1.329 437 HE1 HIS 19 HE1 HIS 19 1.034 -10.586 1.447 438 HE2 HIS 19 HE2 HIS 19 -0.131 -11.109 -0.726 439 H LEU 20 H LEU 20 -2.733 -4.430 0.078 440 HA LEU 20 HA LEU 20 -5.166 -3.875 1.434 441 HB2 LEU 20 HB3 LEU 20 -3.123 -2.616 1.839 442 HB3 LEU 20 HB2 LEU 20 -3.101 -2.075 0.174 443 HG LEU 20 HG LEU 20 -5.191 -0.837 0.573 444 HD11 LEU 20 HD11 LEU 20 -6.098 -2.169 2.394 445 HD12 LEU 20 HD12 LEU 20 -5.952 -0.478 2.874 446 HD13 LEU 20 HD13 LEU 20 -4.773 -1.662 3.443 447 HD21 LEU 20 HD21 LEU 20 -2.957 -0.166 2.480 448 HD22 LEU 20 HD22 LEU 20 -4.180 0.949 1.877 449 HD23 LEU 20 HD23 LEU 20 -3.006 0.247 0.768 450 H GLU 21 H GLU 21 -4.057 -3.699 -1.889 451 HA GLU 21 HA GLU 21 -6.264 -2.271 -2.937 452 HB2 GLU 21 HB3 GLU 21 -4.068 -2.732 -4.114 453 HB3 GLU 21 HB2 GLU 21 -4.651 -4.367 -4.394 454 HG2 GLU 21 HG3 GLU 21 -6.558 -3.461 -5.641 455 HG3 GLU 21 HG2 GLU 21 -5.938 -1.831 -5.383 456 H ASN 22 H ASN 22 -5.661 -5.672 -2.290 457 HA ASN 22 HA ASN 22 -7.996 -6.760 -3.391 458 HB2 ASN 22 HB3 ASN 22 -6.486 -7.651 -0.922 459 HB3 ASN 22 HB2 ASN 22 -7.691 -8.608 -1.770 460 HD21 ASN 22 HD21 ASN 22 -6.748 -7.685 -4.406 461 HD22 ASN 22 HD22 ASN 22 -5.274 -8.540 -4.689 462 H GLU 23 H GLU 23 -7.379 -5.018 -0.455 463 HA GLU 23 HA GLU 23 -9.761 -5.717 0.913 464 HB2 GLU 23 HB3 GLU 23 -7.721 -4.865 2.040 465 HB3 GLU 23 HB2 GLU 23 -8.019 -3.274 1.305 466 HG2 GLU 23 HG3 GLU 23 -10.136 -3.125 2.505 467 HG3 GLU 23 HG2 GLU 23 -9.850 -4.707 3.226 468 H VAL 24 H VAL 24 -8.849 -3.044 -1.214 469 HA VAL 24 HA VAL 24 -11.228 -1.536 -0.872 470 HB VAL 24 HB VAL 24 -9.820 -1.513 -3.509 471 HG11 VAL 24 HG11 VAL 24 -10.872 0.694 -1.737 472 HG12 VAL 24 HG12 VAL 24 -11.705 -0.010 -3.122 473 HG13 VAL 24 HG13 VAL 24 -10.209 0.890 -3.359 474 HG21 VAL 24 HG21 VAL 24 -8.190 0.155 -2.403 475 HG22 VAL 24 HG22 VAL 24 -7.883 -1.572 -2.255 476 HG23 VAL 24 HG23 VAL 24 -8.599 -0.693 -0.911 477 H ALA 25 H ALA 25 -10.317 -4.237 -2.881 478 HA ALA 25 HA ALA 25 -12.516 -4.153 -4.655 479 HB1 ALA 25 HB1 ALA 25 -10.441 -5.406 -5.097 480 HB2 ALA 25 HB2 ALA 25 -11.895 -6.384 -5.294 481 HB3 ALA 25 HB3 ALA 25 -10.906 -6.560 -3.847 482 H ARG 26 H ARG 26 -12.129 -5.429 -1.434 483 HA ARG 26 HA ARG 26 -14.403 -7.112 -1.408 484 HB2 ARG 26 HB3 ARG 26 -13.701 -5.612 1.070 485 HB3 ARG 26 HB2 ARG 26 -14.144 -7.299 0.878 486 HG2 ARG 26 HG3 ARG 26 -11.837 -7.517 -0.275 487 HG3 ARG 26 HG2 ARG 26 -11.497 -5.977 0.534 488 HD2 ARG 26 HD2 ARG 26 -10.745 -7.854 1.890 489 HD3 ARG 26 HD1 ARG 26 -12.048 -6.974 2.686 490 HE ARG 26 HE ARG 26 -13.224 -9.044 1.263 491 HH11 ARG 26 HH11 ARG 26 -10.944 -8.703 3.888 492 HH12 ARG 26 HH12 ARG 26 -11.425 -10.172 4.671 493 HH21 ARG 26 HH21 ARG 26 -13.864 -10.989 2.288 494 HH22 ARG 26 HH22 ARG 26 -13.071 -11.483 3.748 495 H LEU 27 H LEU 27 -13.918 -3.753 -0.429 496 HA LEU 27 HA LEU 27 -16.513 -3.368 0.560 497 HB2 LEU 27 HB3 LEU 27 -14.352 -1.476 -0.283 498 HB3 LEU 27 HB2 LEU 27 -15.931 -0.888 0.188 499 HG LEU 27 HG LEU 27 -15.666 -1.975 2.389 500 HD11 LEU 27 HD11 LEU 27 -12.880 -2.563 1.416 501 HD12 LEU 27 HD12 LEU 27 -14.114 -3.738 1.874 502 HD13 LEU 27 HD13 LEU 27 -13.413 -2.675 3.094 503 HD21 LEU 27 HD21 LEU 27 -15.173 0.342 2.179 504 HD22 LEU 27 HD22 LEU 27 -13.554 -0.012 1.570 505 HD23 LEU 27 HD23 LEU 27 -13.973 -0.399 3.239 506 H LYS 28 H LYS 28 -15.156 -2.544 -2.654 507 HA LYS 28 HA LYS 28 -17.500 -1.216 -3.467 508 HB2 LYS 28 HB3 LYS 28 -16.670 -1.589 -5.828 509 HB3 LYS 28 HB2 LYS 28 -15.640 -0.675 -4.746 510 HG2 LYS 28 HG3 LYS 28 -14.266 -2.705 -4.409 511 HG3 LYS 28 HG2 LYS 28 -15.270 -3.535 -5.605 512 HD2 LYS 28 HD3 LYS 28 -14.663 -1.884 -7.289 513 HD3 LYS 28 HD2 LYS 28 -13.715 -0.993 -6.098 514 HE2 LYS 28 HE3 LYS 28 -12.167 -2.823 -5.896 515 HE3 LYS 28 HE2 LYS 28 -13.158 -3.830 -6.953 516 HZ1 LYS 28 HZ1 LYS 28 -11.294 -2.908 -8.148 517 HZ2 LYS 28 HZ2 LYS 28 -11.744 -1.335 -7.729 518 HZ3 LYS 28 HZ3 LYS 28 -12.729 -2.253 -8.750 519 H LYS 29 H LYS 29 -16.769 -4.630 -3.414 520 HA LYS 29 HA LYS 29 -18.919 -5.427 -5.058 521 HB2 LYS 29 HB3 LYS 29 -17.540 -6.843 -2.773 522 HB3 LYS 29 HB2 LYS 29 -18.719 -7.598 -3.826 523 HG2 LYS 29 HG3 LYS 29 -17.213 -7.126 -5.756 524 HG3 LYS 29 HG2 LYS 29 -16.017 -6.532 -4.606 525 HD2 LYS 29 HD3 LYS 29 -17.190 -9.298 -4.470 526 HD3 LYS 29 HD2 LYS 29 -15.750 -8.922 -5.408 527 HE2 LYS 29 HE3 LYS 29 -14.917 -9.717 -3.383 528 HE3 LYS 29 HE2 LYS 29 -14.807 -7.966 -3.232 529 HZ1 LYS 29 HZ1 LYS 29 -17.030 -9.598 -2.130 530 HZ2 LYS 29 HZ2 LYS 29 -16.754 -7.953 -1.865 531 HZ3 LYS 29 HZ3 LYS 29 -15.684 -9.098 -1.237 532 H LEU 30 H LEU 30 -18.633 -4.621 -1.654 533 HA LEU 30 HA LEU 30 -21.340 -5.244 -0.988 534 HB2 LEU 30 HB3 LEU 30 -19.150 -3.707 0.337 535 HB3 LEU 30 HB2 LEU 30 -20.787 -3.572 0.946 536 HG LEU 30 HG LEU 30 -20.809 -6.059 1.251 537 HD11 LEU 30 HD11 LEU 30 -19.053 -6.636 -0.340 538 HD12 LEU 30 HD12 LEU 30 -18.686 -7.249 1.273 539 HD13 LEU 30 HD13 LEU 30 -17.865 -5.810 0.668 540 HD21 LEU 30 HD21 LEU 30 -19.416 -6.023 3.266 541 HD22 LEU 30 HD22 LEU 30 -20.399 -4.567 3.116 542 HD23 LEU 30 HD23 LEU 30 -18.681 -4.515 2.722 543 H VAL 31 H VAL 31 -19.659 -2.390 -2.160 544 HA VAL 31 HA VAL 31 -21.819 -0.578 -1.858 545 HB VAL 31 HB VAL 31 -19.545 -0.442 -3.868 546 HG11 VAL 31 HG11 VAL 31 -19.996 1.942 -3.942 547 HG12 VAL 31 HG12 VAL 31 -21.319 1.754 -2.794 548 HG13 VAL 31 HG13 VAL 31 -21.440 1.041 -4.405 549 HG21 VAL 31 HG21 VAL 31 -18.448 1.014 -2.245 550 HG22 VAL 31 HG22 VAL 31 -18.718 -0.598 -1.581 551 HG23 VAL 31 HG23 VAL 31 -19.765 0.739 -1.105 552 H GLY 32 H GLY 32 -21.030 -3.003 -4.223 553 HA2 GLY 32 HA3 GLY 32 -23.258 -3.745 -5.269 554 HA3 GLY 32 HA2 GLY 32 -23.262 -2.114 -5.922 555 H GLU 33 H GLU 33 -20.583 -4.387 -5.543 556 HA GLU 33 HA GLU 33 -19.067 -5.247 -6.983 557 HB2 GLU 33 HB3 GLU 33 -21.425 -5.149 -8.860 558 HB3 GLU 33 HB2 GLU 33 -19.893 -5.914 -9.259 559 HG2 GLU 33 HG3 GLU 33 -20.171 -7.443 -7.366 560 HG3 GLU 33 HG2 GLU 33 -21.721 -6.687 -6.996 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 25.711 6.507 -5.048 2 H2 GLY 1 H2 GLY 1 26.555 6.815 -3.616 3 H3 GLY 1 H3 GLY 1 24.974 7.376 -3.801 4 HA2 GLY 1 HA2 GLY 1 25.804 4.536 -3.651 5 HA3 GLY 1 HA3 GLY 1 25.012 5.446 -2.371 6 H SER 2 H SER 2 23.666 3.326 -2.883 7 HA SER 2 HA SER 2 21.557 4.115 -4.782 8 HB2 SER 2 HB3 SER 2 22.308 1.327 -3.867 9 HB3 SER 2 HB2 SER 2 21.023 1.726 -5.008 10 HG SER 2 HG SER 2 22.537 1.537 -6.447 11 H MET 3 H MET 3 22.107 4.524 -1.743 12 HA MET 3 HA MET 3 20.050 3.084 -0.396 13 HB2 MET 3 HB3 MET 3 22.055 3.967 0.756 14 HB3 MET 3 HB2 MET 3 21.511 5.604 0.438 15 HG2 MET 3 HG3 MET 3 19.799 3.697 1.978 16 HG3 MET 3 HG2 MET 3 21.112 4.571 2.760 17 HE1 MET 3 HE1 MET 3 17.833 6.418 3.942 18 HE2 MET 3 HE2 MET 3 19.277 5.552 4.468 19 HE3 MET 3 HE3 MET 3 18.002 4.698 3.599 20 H LYS 4 H LYS 4 20.320 6.352 -1.730 21 HA LYS 4 HA LYS 4 17.758 7.185 -0.807 22 HB2 LYS 4 HB3 LYS 4 19.582 8.305 -2.931 23 HB3 LYS 4 HB2 LYS 4 18.054 9.050 -2.486 24 HG2 LYS 4 HG3 LYS 4 18.876 9.301 -0.180 25 HG3 LYS 4 HG2 LYS 4 20.424 8.615 -0.678 26 HD2 LYS 4 HD3 LYS 4 20.744 10.448 -2.252 27 HD3 LYS 4 HD2 LYS 4 19.178 11.124 -1.798 28 HE2 LYS 4 HE3 LYS 4 20.981 12.297 -0.664 29 HE3 LYS 4 HE2 LYS 4 19.979 11.427 0.495 30 HZ1 LYS 4 HZ1 LYS 4 21.633 9.688 0.588 31 HZ2 LYS 4 HZ2 LYS 4 22.343 11.176 0.955 32 HZ3 LYS 4 HZ3 LYS 4 22.583 10.481 -0.565 33 H GLN 5 H GLN 5 18.933 5.645 -3.719 34 HA GLN 5 HA GLN 5 16.624 5.935 -5.293 35 HB2 GLN 5 HB3 GLN 5 18.829 3.887 -5.262 36 HB3 GLN 5 HB2 GLN 5 17.490 3.781 -6.398 37 HG2 GLN 5 HG3 GLN 5 18.059 5.914 -7.349 38 HG3 GLN 5 HG2 GLN 5 19.315 6.157 -6.140 39 HE21 GLN 5 HE21 GLN 5 21.259 5.090 -6.340 40 HE22 GLN 5 HE22 GLN 5 21.715 4.237 -7.774 41 H LEU 6 H LEU 6 17.559 3.439 -2.955 42 HA LEU 6 HA LEU 6 15.145 1.948 -3.285 43 HB2 LEU 6 HB3 LEU 6 17.426 1.883 -1.367 44 HB3 LEU 6 HB2 LEU 6 15.935 1.092 -0.900 45 HG LEU 6 HG LEU 6 17.465 -0.521 -1.856 46 HD11 LEU 6 HD11 LEU 6 16.046 -1.478 -3.570 47 HD12 LEU 6 HD12 LEU 6 15.213 0.061 -3.771 48 HD13 LEU 6 HD13 LEU 6 15.069 -0.827 -2.254 49 HD21 LEU 6 HD21 LEU 6 17.423 1.194 -4.334 50 HD22 LEU 6 HD22 LEU 6 18.172 -0.396 -4.195 51 HD23 LEU 6 HD23 LEU 6 18.795 0.957 -3.253 52 H GLU 7 H GLU 7 16.208 4.530 -1.156 53 HA GLU 7 HA GLU 7 14.079 4.453 0.666 54 HB2 GLU 7 HB3 GLU 7 16.122 5.668 1.136 55 HB3 GLU 7 HB2 GLU 7 15.857 6.720 -0.247 56 HG2 GLU 7 HG3 GLU 7 15.283 7.926 1.709 57 HG3 GLU 7 HG2 GLU 7 13.802 7.531 0.841 58 H ASP 8 H ASP 8 14.537 6.198 -2.383 59 HA ASP 8 HA ASP 8 12.043 7.562 -2.291 60 HB2 ASP 8 HB3 ASP 8 14.054 7.022 -4.448 61 HB3 ASP 8 HB2 ASP 8 12.481 7.693 -4.867 62 H LYS 9 H LYS 9 12.989 4.377 -3.247 63 HA LYS 9 HA LYS 9 10.648 3.887 -4.854 64 HB2 LYS 9 HB3 LYS 9 12.859 2.769 -5.242 65 HB3 LYS 9 HB2 LYS 9 12.613 1.876 -3.747 66 HG2 LYS 9 HG3 LYS 9 10.579 0.882 -4.690 67 HG3 LYS 9 HG2 LYS 9 10.864 1.755 -6.195 68 HD2 LYS 9 HD3 LYS 9 12.748 -0.260 -4.971 69 HD3 LYS 9 HD2 LYS 9 11.626 -0.592 -6.291 70 HE2 LYS 9 HE3 LYS 9 12.758 1.134 -7.645 71 HE3 LYS 9 HE2 LYS 9 13.910 1.379 -6.333 72 HZ1 LYS 9 HZ1 LYS 9 13.512 -1.143 -7.848 73 HZ2 LYS 9 HZ2 LYS 9 14.598 -0.932 -6.572 74 HZ3 LYS 9 HZ3 LYS 9 14.816 -0.080 -8.014 75 H VAL 10 H VAL 10 11.780 2.974 -1.608 76 HA VAL 10 HA VAL 10 9.452 1.469 -0.980 77 HB VAL 10 HB VAL 10 11.591 1.158 0.218 78 HG11 VAL 10 HG11 VAL 10 10.968 3.807 1.510 79 HG12 VAL 10 HG12 VAL 10 12.295 3.478 0.399 80 HG13 VAL 10 HG13 VAL 10 12.261 2.705 1.982 81 HG21 VAL 10 HG21 VAL 10 9.568 0.334 1.235 82 HG22 VAL 10 HG22 VAL 10 9.250 1.912 1.957 83 HG23 VAL 10 HG23 VAL 10 10.642 0.966 2.482 84 H GLU 11 H GLU 11 10.361 4.854 -0.570 85 HA GLU 11 HA GLU 11 8.053 5.612 0.908 86 HB2 GLU 11 HB3 GLU 11 10.126 6.983 0.753 87 HB3 GLU 11 HB2 GLU 11 9.755 7.307 -0.934 88 HG2 GLU 11 HG3 GLU 11 7.715 8.455 -0.288 89 HG3 GLU 11 HG2 GLU 11 8.037 8.094 1.408 90 H GLU 12 H GLU 12 8.825 5.380 -2.512 91 HA GLU 12 HA GLU 12 6.502 6.433 -3.616 92 HB2 GLU 12 HB3 GLU 12 8.498 5.757 -4.905 93 HB3 GLU 12 HB2 GLU 12 8.110 4.071 -4.607 94 HG2 GLU 12 HG3 GLU 12 6.051 4.302 -5.871 95 HG3 GLU 12 HG2 GLU 12 6.389 6.012 -6.132 96 H LEU 13 H LEU 13 7.137 3.025 -2.673 97 HA LEU 13 HA LEU 13 4.468 2.208 -3.110 98 HB2 LEU 13 HB3 LEU 13 6.909 1.029 -2.091 99 HB3 LEU 13 HB2 LEU 13 5.483 0.447 -1.245 100 HG LEU 13 HG LEU 13 5.508 0.531 -4.228 101 HD11 LEU 13 HD11 LEU 13 6.349 -1.782 -4.246 102 HD12 LEU 13 HD12 LEU 13 6.645 -1.681 -2.510 103 HD13 LEU 13 HD13 LEU 13 7.555 -0.658 -3.621 104 HD21 LEU 13 HD21 LEU 13 3.404 0.093 -3.132 105 HD22 LEU 13 HD22 LEU 13 4.135 -1.196 -2.176 106 HD23 LEU 13 HD23 LEU 13 3.975 -1.376 -3.923 107 H LEU 14 H LEU 14 6.101 3.435 -0.213 108 HA LEU 14 HA LEU 14 4.017 3.142 1.599 109 HB2 LEU 14 HB3 LEU 14 6.206 3.951 2.255 110 HB3 LEU 14 HB2 LEU 14 6.033 5.378 1.268 111 HG LEU 14 HG LEU 14 5.808 5.646 3.781 112 HD11 LEU 14 HD11 LEU 14 3.577 6.665 2.042 113 HD12 LEU 14 HD12 LEU 14 5.172 7.395 2.228 114 HD13 LEU 14 HD13 LEU 14 4.063 7.335 3.600 115 HD21 LEU 14 HD21 LEU 14 4.382 3.702 4.186 116 HD22 LEU 14 HD22 LEU 14 3.091 4.462 3.255 117 HD23 LEU 14 HD23 LEU 14 3.636 5.192 4.763 118 H SER 15 H SER 15 4.584 5.613 -0.852 119 HA SER 15 HA SER 15 2.278 7.136 -0.401 120 HB2 SER 15 HB3 SER 15 4.218 7.870 -1.774 121 HB3 SER 15 HB2 SER 15 3.741 6.717 -3.017 122 HG SER 15 HG SER 15 2.548 9.126 -2.251 123 H LYS 16 H LYS 16 2.854 4.375 -2.655 124 HA LYS 16 HA LYS 16 0.251 4.385 -3.720 125 HB2 LYS 16 HB3 LYS 16 2.176 2.085 -3.395 126 HB3 LYS 16 HB2 LYS 16 0.674 1.990 -4.306 127 HG2 LYS 16 HG3 LYS 16 1.717 4.128 -5.492 128 HG3 LYS 16 HG2 LYS 16 3.214 3.361 -4.965 129 HD2 LYS 16 HD3 LYS 16 1.054 2.046 -6.606 130 HD3 LYS 16 HD2 LYS 16 2.569 2.685 -7.238 131 HE2 LYS 16 HE3 LYS 16 3.805 1.091 -5.837 132 HE3 LYS 16 HE2 LYS 16 2.275 0.441 -5.248 133 HZ1 LYS 16 HZ1 LYS 16 3.193 0.411 -8.073 134 HZ2 LYS 16 HZ2 LYS 16 1.724 -0.205 -7.512 135 HZ3 LYS 16 HZ3 LYS 16 3.177 -0.913 -7.025 136 H ASN 17 H ASN 17 1.551 2.560 -0.951 137 HA ASN 17 HA ASN 17 -0.747 1.237 -0.147 138 HB2 ASN 17 HB3 ASN 17 1.429 0.867 0.900 139 HB3 ASN 17 HB2 ASN 17 1.422 2.502 1.549 140 HD21 ASN 17 HD21 ASN 17 1.555 1.915 3.667 141 HD22 ASN 17 HD22 ASN 17 0.287 1.096 4.509 142 H TYR 18 H TYR 18 0.344 4.503 0.671 143 HA TYR 18 HA TYR 18 -1.786 5.240 2.328 144 HB2 TYR 18 HB3 TYR 18 0.293 6.514 2.217 145 HB3 TYR 18 HB2 TYR 18 -0.036 6.949 0.546 146 HD1 TYR 18 HD1 TYR 18 -1.617 7.215 3.920 147 HD2 TYR 18 HD2 TYR 18 -0.958 9.021 0.128 148 HE1 TYR 18 HE1 TYR 18 -2.764 9.244 4.696 149 HE2 TYR 18 HE2 TYR 18 -2.104 11.058 0.893 150 HH TYR 18 HH TYR 18 -2.862 11.611 4.182 151 H HIS 19 H HIS 19 -1.371 5.491 -1.174 152 HA HIS 19 HA HIS 19 -3.713 6.933 -1.745 153 HB2 HIS 19 HB3 HIS 19 -2.262 4.879 -3.430 154 HB3 HIS 19 HB2 HIS 19 -3.548 5.919 -4.026 155 HD1 HIS 19 HD1 HIS 19 -0.664 5.939 -5.196 156 HD2 HIS 19 HD2 HIS 19 -2.097 8.591 -2.334 157 HE1 HIS 19 HE1 HIS 19 0.791 7.981 -5.378 158 HE2 HIS 19 HE2 HIS 19 -0.031 9.533 -3.574 159 H LEU 20 H LEU 20 -3.121 3.432 -1.667 160 HA LEU 20 HA LEU 20 -5.793 2.711 -2.249 161 HB2 LEU 20 HB3 LEU 20 -3.411 1.266 -1.182 162 HB3 LEU 20 HB2 LEU 20 -4.982 0.504 -1.059 163 HG LEU 20 HG LEU 20 -3.724 -0.245 -3.042 164 HD11 LEU 20 HD11 LEU 20 -6.140 -0.323 -3.096 165 HD12 LEU 20 HD12 LEU 20 -5.510 0.097 -4.688 166 HD13 LEU 20 HD13 LEU 20 -6.206 1.347 -3.659 167 HD21 LEU 20 HD21 LEU 20 -3.434 1.283 -4.935 168 HD22 LEU 20 HD22 LEU 20 -2.483 1.779 -3.536 169 HD23 LEU 20 HD23 LEU 20 -3.981 2.622 -3.929 170 H GLU 21 H GLU 21 -4.076 3.338 0.767 171 HA GLU 21 HA GLU 21 -6.073 2.483 2.546 172 HB2 GLU 21 HB3 GLU 21 -4.008 4.668 2.766 173 HB3 GLU 21 HB2 GLU 21 -5.109 4.285 4.082 174 HG2 GLU 21 HG3 GLU 21 -4.239 2.034 4.199 175 HG3 GLU 21 HG2 GLU 21 -3.192 2.339 2.816 176 H ASN 22 H ASN 22 -5.658 5.538 0.829 177 HA ASN 22 HA ASN 22 -7.855 6.892 1.977 178 HB2 ASN 22 HB3 ASN 22 -6.552 7.230 -0.733 179 HB3 ASN 22 HB2 ASN 22 -7.752 8.330 -0.067 180 HD21 ASN 22 HD21 ASN 22 -5.015 8.840 -0.856 181 HD22 ASN 22 HD22 ASN 22 -4.217 9.462 0.544 182 H GLU 23 H GLU 23 -7.583 4.527 -0.554 183 HA GLU 23 HA GLU 23 -10.194 5.025 -1.650 184 HB2 GLU 23 HB3 GLU 23 -8.442 2.592 -2.060 185 HB3 GLU 23 HB2 GLU 23 -9.797 3.121 -3.079 186 HG2 GLU 23 HG3 GLU 23 -7.123 4.466 -2.738 187 HG3 GLU 23 HG2 GLU 23 -7.745 3.658 -4.175 188 H VAL 24 H VAL 24 -8.727 2.628 0.513 189 HA VAL 24 HA VAL 24 -11.022 1.046 0.845 190 HB VAL 24 HB VAL 24 -8.791 1.511 2.846 191 HG11 VAL 24 HG11 VAL 24 -10.827 0.563 3.871 192 HG12 VAL 24 HG12 VAL 24 -9.486 -0.580 3.868 193 HG13 VAL 24 HG13 VAL 24 -10.791 -0.750 2.693 194 HG21 VAL 24 HG21 VAL 24 -7.941 0.650 0.758 195 HG22 VAL 24 HG22 VAL 24 -9.171 -0.614 0.747 196 HG23 VAL 24 HG23 VAL 24 -7.912 -0.620 1.981 197 H ALA 25 H ALA 25 -9.894 3.941 2.486 198 HA ALA 25 HA ALA 25 -11.865 3.954 4.523 199 HB1 ALA 25 HB1 ALA 25 -9.750 5.201 4.675 200 HB2 ALA 25 HB2 ALA 25 -11.154 6.228 4.955 201 HB3 ALA 25 HB3 ALA 25 -10.315 6.286 3.406 202 H ARG 26 H ARG 26 -11.836 5.084 1.219 203 HA ARG 26 HA ARG 26 -14.087 6.819 1.493 204 HB2 ARG 26 HB3 ARG 26 -13.819 7.314 -0.738 205 HB3 ARG 26 HB2 ARG 26 -12.213 6.733 -0.345 206 HG2 ARG 26 HG3 ARG 26 -12.718 4.569 -1.322 207 HG3 ARG 26 HG2 ARG 26 -14.364 5.104 -1.673 208 HD2 ARG 26 HD2 ARG 26 -11.824 6.275 -2.802 209 HD3 ARG 26 HD1 ARG 26 -12.952 5.223 -3.654 210 HE ARG 26 HE ARG 26 -14.026 7.714 -2.597 211 HH11 ARG 26 HH11 ARG 26 -12.832 5.932 -5.364 212 HH12 ARG 26 HH12 ARG 26 -13.501 7.042 -6.519 213 HH21 ARG 26 HH21 ARG 26 -14.902 9.169 -4.114 214 HH22 ARG 26 HH22 ARG 26 -14.669 8.883 -5.813 215 H LEU 27 H LEU 27 -13.606 3.534 0.357 216 HA LEU 27 HA LEU 27 -16.339 3.113 -0.350 217 HB2 LEU 27 HB3 LEU 27 -14.118 1.144 0.138 218 HB3 LEU 27 HB2 LEU 27 -15.687 0.756 -0.532 219 HG LEU 27 HG LEU 27 -13.985 2.796 -1.866 220 HD11 LEU 27 HD11 LEU 27 -12.956 1.083 -3.204 221 HD12 LEU 27 HD12 LEU 27 -13.817 -0.166 -2.304 222 HD13 LEU 27 HD13 LEU 27 -12.594 0.818 -1.497 223 HD21 LEU 27 HD21 LEU 27 -15.193 1.910 -3.848 224 HD22 LEU 27 HD22 LEU 27 -16.254 2.613 -2.630 225 HD23 LEU 27 HD23 LEU 27 -16.106 0.860 -2.761 226 H LYS 28 H LYS 28 -14.397 2.294 2.489 227 HA LYS 28 HA LYS 28 -16.106 0.623 3.817 228 HB2 LYS 28 HB3 LYS 28 -13.816 1.337 4.553 229 HB3 LYS 28 HB2 LYS 28 -14.539 2.818 5.165 230 HG2 LYS 28 HG3 LYS 28 -14.198 1.188 6.940 231 HG3 LYS 28 HG2 LYS 28 -15.913 1.531 6.705 232 HD2 LYS 28 HD3 LYS 28 -16.170 -0.526 5.430 233 HD3 LYS 28 HD2 LYS 28 -14.443 -0.853 5.579 234 HE2 LYS 28 HE3 LYS 28 -16.379 -0.649 7.881 235 HE3 LYS 28 HE2 LYS 28 -15.811 -2.156 7.167 236 HZ1 LYS 28 HZ1 LYS 28 -14.552 -1.638 9.134 237 HZ2 LYS 28 HZ2 LYS 28 -14.138 -0.117 8.527 238 HZ3 LYS 28 HZ3 LYS 28 -13.542 -1.511 7.781 239 H LYS 29 H LYS 29 -16.262 4.183 3.787 240 HA LYS 29 HA LYS 29 -18.550 4.198 5.509 241 HB2 LYS 29 HB3 LYS 29 -18.624 6.616 4.986 242 HB3 LYS 29 HB2 LYS 29 -17.084 6.081 5.627 243 HG2 LYS 29 HG3 LYS 29 -16.145 6.090 3.376 244 HG3 LYS 29 HG2 LYS 29 -17.703 6.611 2.730 245 HD2 LYS 29 HD3 LYS 29 -17.573 8.671 3.997 246 HD3 LYS 29 HD2 LYS 29 -16.067 8.144 4.749 247 HE2 LYS 29 HE3 LYS 29 -14.984 8.125 2.562 248 HE3 LYS 29 HE2 LYS 29 -16.491 8.637 1.805 249 HZ1 LYS 29 HZ1 LYS 29 -16.389 10.689 3.050 250 HZ2 LYS 29 HZ2 LYS 29 -14.966 10.484 2.158 251 HZ3 LYS 29 HZ3 LYS 29 -14.966 10.191 3.822 252 H LEU 30 H LEU 30 -18.007 4.167 2.053 253 HA LEU 30 HA LEU 30 -20.625 4.934 1.277 254 HB2 LEU 30 HB3 LEU 30 -18.556 3.265 -0.147 255 HB3 LEU 30 HB2 LEU 30 -20.066 3.777 -0.876 256 HG LEU 30 HG LEU 30 -17.868 5.610 0.092 257 HD11 LEU 30 HD11 LEU 30 -17.561 6.104 -2.284 258 HD12 LEU 30 HD12 LEU 30 -18.766 4.882 -2.692 259 HD13 LEU 30 HD13 LEU 30 -17.252 4.406 -1.925 260 HD21 LEU 30 HD21 LEU 30 -20.042 6.644 0.362 261 HD22 LEU 30 HD22 LEU 30 -20.480 6.210 -1.289 262 HD23 LEU 30 HD23 LEU 30 -19.192 7.376 -0.997 263 H VAL 31 H VAL 31 -19.185 1.878 2.218 264 HA VAL 31 HA VAL 31 -21.544 0.339 1.604 265 HB VAL 31 HB VAL 31 -19.253 -0.425 3.437 266 HG11 VAL 31 HG11 VAL 31 -21.240 -2.141 1.950 267 HG12 VAL 31 HG12 VAL 31 -21.258 -1.812 3.683 268 HG13 VAL 31 HG13 VAL 31 -19.924 -2.718 2.971 269 HG21 VAL 31 HG21 VAL 31 -18.296 -1.585 1.502 270 HG22 VAL 31 HG22 VAL 31 -18.391 0.156 1.237 271 HG23 VAL 31 HG23 VAL 31 -19.566 -0.918 0.478 272 H GLY 32 H GLY 32 -20.385 2.270 4.200 273 HA2 GLY 32 HA3 GLY 32 -22.123 1.209 6.223 274 HA3 GLY 32 HA2 GLY 32 -21.197 2.700 6.316 275 H GLU 33 H GLU 33 -22.078 4.270 4.391 276 HA GLU 33 HA GLU 33 -24.952 4.192 4.191 277 HB2 GLU 33 HB3 GLU 33 -25.333 6.423 5.157 278 HB3 GLU 33 HB2 GLU 33 -24.769 5.274 6.353 279 HG2 GLU 33 HG3 GLU 33 -22.912 7.203 5.000 280 HG3 GLU 33 HG2 GLU 33 -23.837 7.639 6.432 281 H1 GLY 1 H1 GLY 1 25.731 -6.710 4.346 282 H2 GLY 1 H2 GLY 1 26.562 -7.033 2.912 283 H3 GLY 1 H3 GLY 1 24.976 -7.587 3.114 284 HA2 GLY 1 HA2 GLY 1 25.819 -4.750 2.940 285 HA3 GLY 1 HA3 GLY 1 25.015 -5.661 1.670 286 H SER 2 H SER 2 23.687 -3.526 2.187 287 HA SER 2 HA SER 2 21.580 -4.309 4.092 288 HB2 SER 2 HB3 SER 2 22.339 -1.527 3.174 289 HB3 SER 2 HB2 SER 2 21.053 -1.919 4.315 290 HG SER 2 HG SER 2 22.584 -1.712 5.744 291 H MET 3 H MET 3 22.117 -4.721 1.052 292 HA MET 3 HA MET 3 20.055 -3.287 -0.290 293 HB2 MET 3 HB3 MET 3 22.055 -4.177 -1.445 294 HB3 MET 3 HB2 MET 3 21.504 -5.811 -1.124 295 HG2 MET 3 HG3 MET 3 19.792 -3.902 -2.660 296 HG3 MET 3 HG2 MET 3 21.101 -4.780 -3.447 297 HE1 MET 3 HE1 MET 3 17.815 -6.626 -4.603 298 HE2 MET 3 HE2 MET 3 19.258 -5.768 -5.142 299 HE3 MET 3 HE3 MET 3 17.992 -4.906 -4.268 300 H LYS 4 H LYS 4 20.319 -6.552 1.057 301 HA LYS 4 HA LYS 4 17.751 -7.380 0.143 302 HB2 LYS 4 HB3 LYS 4 19.582 -8.499 2.262 303 HB3 LYS 4 HB2 LYS 4 18.050 -9.241 1.824 304 HG2 LYS 4 HG3 LYS 4 18.862 -9.498 -0.483 305 HG3 LYS 4 HG2 LYS 4 20.414 -8.817 0.007 306 HD2 LYS 4 HD3 LYS 4 20.732 -10.647 1.585 307 HD3 LYS 4 HD2 LYS 4 19.164 -11.319 1.137 308 HE2 LYS 4 HE3 LYS 4 20.955 -12.503 0.004 309 HE3 LYS 4 HE2 LYS 4 19.954 -11.632 -1.155 310 HZ1 LYS 4 HZ1 LYS 4 21.620 -9.905 -1.263 311 HZ2 LYS 4 HZ2 LYS 4 22.318 -11.397 -1.627 312 HZ3 LYS 4 HZ3 LYS 4 22.572 -10.698 -0.112 313 H GLN 5 H GLN 5 18.942 -5.826 3.038 314 HA GLN 5 HA GLN 5 16.643 -6.115 4.631 315 HB2 GLN 5 HB3 GLN 5 18.853 -4.075 4.586 316 HB3 GLN 5 HB2 GLN 5 17.519 -3.961 5.726 317 HG2 GLN 5 HG3 GLN 5 18.088 -6.094 6.681 318 HG3 GLN 5 HG2 GLN 5 19.337 -6.345 5.464 319 HE21 GLN 5 HE21 GLN 5 21.288 -5.288 5.656 320 HE22 GLN 5 HE22 GLN 5 21.752 -4.429 7.086 321 H LEU 6 H LEU 6 17.575 -3.623 2.286 322 HA LEU 6 HA LEU 6 15.164 -2.127 2.619 323 HB2 LEU 6 HB3 LEU 6 17.437 -2.077 0.693 324 HB3 LEU 6 HB2 LEU 6 15.947 -1.281 0.228 325 HG LEU 6 HG LEU 6 17.485 0.330 1.173 326 HD11 LEU 6 HD11 LEU 6 16.076 1.296 2.890 327 HD12 LEU 6 HD12 LEU 6 15.240 -0.241 3.100 328 HD13 LEU 6 HD13 LEU 6 15.091 0.642 1.582 329 HD21 LEU 6 HD21 LEU 6 17.452 -1.380 3.656 330 HD22 LEU 6 HD22 LEU 6 18.203 0.209 3.510 331 HD23 LEU 6 HD23 LEU 6 18.819 -1.149 2.567 332 H GLU 7 H GLU 7 16.213 -4.716 0.491 333 HA GLU 7 HA GLU 7 14.078 -4.642 -1.322 334 HB2 GLU 7 HB3 GLU 7 16.116 -5.860 -1.799 335 HB3 GLU 7 HB2 GLU 7 15.852 -6.910 -0.414 336 HG2 GLU 7 HG3 GLU 7 15.266 -8.118 -2.361 337 HG3 GLU 7 HG2 GLU 7 13.789 -7.710 -1.496 338 H ASP 8 H ASP 8 14.546 -6.376 1.733 339 HA ASP 8 HA ASP 8 12.049 -7.738 1.654 340 HB2 ASP 8 HB3 ASP 8 14.071 -7.198 3.800 341 HB3 ASP 8 HB2 ASP 8 12.500 -7.863 4.227 342 H LYS 9 H LYS 9 13.002 -4.553 2.599 343 HA LYS 9 HA LYS 9 10.670 -4.050 4.212 344 HB2 LYS 9 HB3 LYS 9 12.887 -2.937 4.581 345 HB3 LYS 9 HB2 LYS 9 12.632 -2.045 3.088 346 HG2 LYS 9 HG3 LYS 9 10.607 -1.046 4.044 347 HG3 LYS 9 HG2 LYS 9 10.899 -1.919 5.547 348 HD2 LYS 9 HD3 LYS 9 12.783 0.090 4.313 349 HD3 LYS 9 HD2 LYS 9 11.670 0.425 5.640 350 HE2 LYS 9 HE3 LYS 9 12.803 -1.306 6.986 351 HE3 LYS 9 HE2 LYS 9 13.945 -1.557 5.667 352 HZ1 LYS 9 HZ1 LYS 9 13.571 0.969 7.178 353 HZ2 LYS 9 HZ2 LYS 9 14.654 0.744 5.902 354 HZ3 LYS 9 HZ3 LYS 9 14.864 -0.105 7.348 355 H VAL 10 H VAL 10 11.788 -3.150 0.960 356 HA VAL 10 HA VAL 10 9.459 -1.641 0.332 357 HB VAL 10 HB VAL 10 11.597 -1.338 -0.872 358 HG11 VAL 10 HG11 VAL 10 10.965 -3.991 -2.154 359 HG12 VAL 10 HG12 VAL 10 12.297 -3.659 -1.049 360 HG13 VAL 10 HG13 VAL 10 12.257 -2.892 -2.635 361 HG21 VAL 10 HG21 VAL 10 9.571 -0.513 -1.883 362 HG22 VAL 10 HG22 VAL 10 9.249 -2.091 -2.601 363 HG23 VAL 10 HG23 VAL 10 10.640 -1.149 -3.134 364 H GLU 11 H GLU 11 10.363 -5.030 -0.066 365 HA GLU 11 HA GLU 11 8.048 -5.786 -1.534 366 HB2 GLU 11 HB3 GLU 11 10.115 -7.163 -1.384 367 HB3 GLU 11 HB2 GLU 11 9.750 -7.483 0.305 368 HG2 GLU 11 HG3 GLU 11 7.702 -8.623 -0.334 369 HG3 GLU 11 HG2 GLU 11 8.020 -8.268 -2.031 370 H GLU 12 H GLU 12 8.833 -5.552 1.884 371 HA GLU 12 HA GLU 12 6.512 -6.593 3.000 372 HB2 GLU 12 HB3 GLU 12 8.515 -5.923 4.277 373 HB3 GLU 12 HB2 GLU 12 8.131 -4.235 3.975 374 HG2 GLU 12 HG3 GLU 12 6.077 -4.454 5.243 375 HG3 GLU 12 HG2 GLU 12 6.412 -6.165 5.510 376 H LEU 13 H LEU 13 7.151 -3.189 2.048 377 HA LEU 13 HA LEU 13 4.484 -2.363 2.489 378 HB2 LEU 13 HB3 LEU 13 6.924 -1.191 1.458 379 HB3 LEU 13 HB2 LEU 13 5.495 -0.608 0.619 380 HG LEU 13 HG LEU 13 5.535 -0.684 3.602 381 HD11 LEU 13 HD11 LEU 13 6.384 1.629 3.604 382 HD12 LEU 13 HD12 LEU 13 6.671 1.517 1.867 383 HD13 LEU 13 HD13 LEU 13 7.583 0.497 2.980 384 HD21 LEU 13 HD21 LEU 13 3.429 -0.244 2.511 385 HD22 LEU 13 HD22 LEU 13 4.158 1.041 1.549 386 HD23 LEU 13 HD23 LEU 13 4.005 1.226 3.297 387 H LEU 14 H LEU 14 6.107 -3.604 -0.408 388 HA LEU 14 HA LEU 14 4.015 -3.306 -2.210 389 HB2 LEU 14 HB3 LEU 14 6.197 -4.124 -2.876 390 HB3 LEU 14 HB2 LEU 14 6.022 -5.549 -1.886 391 HG LEU 14 HG LEU 14 5.786 -5.818 -4.397 392 HD11 LEU 14 HD11 LEU 14 3.563 -6.828 -2.644 393 HD12 LEU 14 HD12 LEU 14 5.155 -7.560 -2.838 394 HD13 LEU 14 HD13 LEU 14 4.039 -7.501 -4.202 395 HD21 LEU 14 HD21 LEU 14 4.362 -3.874 -4.797 396 HD22 LEU 14 HD22 LEU 14 3.073 -4.629 -3.861 397 HD23 LEU 14 HD23 LEU 14 3.613 -5.363 -5.371 398 H SER 15 H SER 15 4.582 -5.773 0.242 399 HA SER 15 HA SER 15 2.271 -7.293 -0.193 400 HB2 SER 15 HB3 SER 15 4.220 -8.022 1.169 401 HB3 SER 15 HB2 SER 15 3.750 -6.868 2.413 402 HG SER 15 HG SER 15 2.538 -9.269 1.642 403 H LYS 16 H LYS 16 2.868 -4.523 2.044 404 HA LYS 16 HA LYS 16 0.269 -4.525 3.123 405 HB2 LYS 16 HB3 LYS 16 2.204 -2.234 2.788 406 HB3 LYS 16 HB2 LYS 16 0.703 -2.129 3.701 407 HG2 LYS 16 HG3 LYS 16 1.739 -4.268 4.888 408 HG3 LYS 16 HG2 LYS 16 3.238 -3.507 4.357 409 HD2 LYS 16 HD3 LYS 16 1.088 -2.184 6.008 410 HD3 LYS 16 HD2 LYS 16 2.606 -2.824 6.631 411 HE2 LYS 16 HE3 LYS 16 3.837 -1.235 5.225 412 HE3 LYS 16 HE2 LYS 16 2.308 -0.586 4.633 413 HZ1 LYS 16 HZ1 LYS 16 3.232 -0.546 7.454 414 HZ2 LYS 16 HZ2 LYS 16 1.761 0.072 6.895 415 HZ3 LYS 16 HZ3 LYS 16 3.216 0.775 6.398 416 H ASN 17 H ASN 17 1.562 -2.711 0.343 417 HA ASN 17 HA ASN 17 -0.738 -1.384 -0.452 418 HB2 ASN 17 HB3 ASN 17 1.433 -1.022 -1.513 419 HB3 ASN 17 HB2 ASN 17 1.418 -2.657 -2.159 420 HD21 ASN 17 HD21 ASN 17 1.542 -2.086 -4.272 421 HD22 ASN 17 HD22 ASN 17 0.275 -1.273 -5.119 422 H TYR 18 H TYR 18 0.338 -4.654 -1.266 423 HA TYR 18 HA TYR 18 -1.800 -5.391 -2.913 424 HB2 TYR 18 HB3 TYR 18 0.277 -6.667 -2.809 425 HB3 TYR 18 HB2 TYR 18 -0.045 -7.097 -1.133 426 HD1 TYR 18 HD1 TYR 18 -1.643 -7.370 -4.502 427 HD2 TYR 18 HD2 TYR 18 -0.965 -9.165 -0.707 428 HE1 TYR 18 HE1 TYR 18 -2.802 -9.400 -5.263 429 HE2 TYR 18 HE2 TYR 18 -2.121 -11.200 -1.457 430 HH TYR 18 HH TYR 18 -2.915 -11.761 -4.737 431 H HIS 19 H HIS 19 -1.370 -5.638 0.591 432 HA HIS 19 HA HIS 19 -3.715 -7.072 1.177 433 HB2 HIS 19 HB3 HIS 19 -2.253 -5.015 2.848 434 HB3 HIS 19 HB2 HIS 19 -3.541 -6.050 3.452 435 HD1 HIS 19 HD1 HIS 19 -0.650 -6.072 4.606 436 HD2 HIS 19 HD2 HIS 19 -2.105 -8.729 1.761 437 HE1 HIS 19 HE1 HIS 19 0.799 -8.118 4.785 438 HE2 HIS 19 HE2 HIS 19 -0.004 -9.646 2.956 439 H LEU 20 H LEU 20 -3.113 -3.573 1.078 440 HA LEU 20 HA LEU 20 -5.778 -2.843 1.679 441 HB2 LEU 20 HB3 LEU 20 -3.395 -1.405 0.602 442 HB3 LEU 20 HB2 LEU 20 -4.964 -0.640 0.479 443 HG LEU 20 HG LEU 20 -3.705 0.115 2.454 444 HD11 LEU 20 HD11 LEU 20 -6.118 0.195 2.522 445 HD12 LEU 20 HD12 LEU 20 -5.484 -0.231 4.112 446 HD13 LEU 20 HD13 LEU 20 -6.183 -1.476 3.080 447 HD21 LEU 20 HD21 LEU 20 -3.399 -1.396 4.354 448 HD22 LEU 20 HD22 LEU 20 -2.461 -1.907 2.951 449 HD23 LEU 20 HD23 LEU 20 -3.957 -2.744 3.364 450 H GLU 21 H GLU 21 -4.079 -3.477 -1.346 451 HA GLU 21 HA GLU 21 -6.082 -2.622 -3.120 452 HB2 GLU 21 HB3 GLU 21 -4.028 -4.818 -3.337 453 HB3 GLU 21 HB2 GLU 21 -5.133 -4.438 -4.649 454 HG2 GLU 21 HG3 GLU 21 -4.254 -2.190 -4.780 455 HG3 GLU 21 HG2 GLU 21 -3.195 -2.500 -3.406 456 H ASN 22 H ASN 22 -5.662 -5.675 -1.401 457 HA ASN 22 HA ASN 22 -7.870 -7.026 -2.526 458 HB2 ASN 22 HB3 ASN 22 -6.555 -7.360 0.179 459 HB3 ASN 22 HB2 ASN 22 -7.757 -8.461 -0.483 460 HD21 ASN 22 HD21 ASN 22 -5.023 -8.978 0.300 461 HD22 ASN 22 HD22 ASN 22 -4.227 -9.597 -1.104 462 H GLU 23 H GLU 23 -7.581 -4.652 -0.011 463 HA GLU 23 HA GLU 23 -10.189 -5.144 1.102 464 HB2 GLU 23 HB3 GLU 23 -8.425 -2.716 1.501 465 HB3 GLU 23 HB2 GLU 23 -9.778 -3.238 2.525 466 HG2 GLU 23 HG3 GLU 23 -7.109 -4.590 2.179 467 HG3 GLU 23 HG2 GLU 23 -7.725 -3.780 3.616 468 H VAL 24 H VAL 24 -8.723 -2.752 -1.075 469 HA VAL 24 HA VAL 24 -11.018 -1.167 -1.400 470 HB VAL 24 HB VAL 24 -8.797 -1.645 -3.409 471 HG11 VAL 24 HG11 VAL 24 -10.835 -0.695 -4.427 472 HG12 VAL 24 HG12 VAL 24 -9.490 0.445 -4.431 473 HG13 VAL 24 HG13 VAL 24 -10.791 0.621 -3.252 474 HG21 VAL 24 HG21 VAL 24 -7.937 -0.783 -1.326 475 HG22 VAL 24 HG22 VAL 24 -9.164 0.485 -1.310 476 HG23 VAL 24 HG23 VAL 24 -7.912 0.487 -2.550 477 H ALA 25 H ALA 25 -9.901 -4.064 -3.044 478 HA ALA 25 HA ALA 25 -11.884 -4.081 -5.067 479 HB1 ALA 25 HB1 ALA 25 -9.772 -5.333 -5.225 480 HB2 ALA 25 HB2 ALA 25 -11.182 -6.356 -5.495 481 HB3 ALA 25 HB3 ALA 25 -10.337 -6.412 -3.950 482 H ARG 26 H ARG 26 -11.844 -5.205 -1.757 483 HA ARG 26 HA ARG 26 -14.101 -6.934 -2.021 484 HB2 ARG 26 HB3 ARG 26 -13.824 -7.429 0.209 485 HB3 ARG 26 HB2 ARG 26 -12.218 -6.852 -0.191 486 HG2 ARG 26 HG3 ARG 26 -12.712 -4.688 0.782 487 HG3 ARG 26 HG2 ARG 26 -14.359 -5.214 1.143 488 HD2 ARG 26 HD2 ARG 26 -11.818 -6.389 2.264 489 HD3 ARG 26 HD1 ARG 26 -12.939 -5.331 3.116 490 HE ARG 26 HE ARG 26 -14.027 -7.820 2.074 491 HH11 ARG 26 HH11 ARG 26 -12.814 -6.036 4.829 492 HH12 ARG 26 HH12 ARG 26 -13.469 -7.141 5.993 493 HH21 ARG 26 HH21 ARG 26 -14.896 -9.268 3.594 494 HH22 ARG 26 HH22 ARG 26 -14.657 -8.989 5.290 495 H LEU 27 H LEU 27 -13.604 -3.648 -0.893 496 HA LEU 27 HA LEU 27 -16.333 -3.222 -0.179 497 HB2 LEU 27 HB3 LEU 27 -14.112 -1.256 -0.678 498 HB3 LEU 27 HB2 LEU 27 -15.677 -0.866 -0.001 499 HG LEU 27 HG LEU 27 -13.974 -2.905 1.331 500 HD11 LEU 27 HD11 LEU 27 -12.934 -1.194 2.659 501 HD12 LEU 27 HD12 LEU 27 -13.794 0.057 1.759 502 HD13 LEU 27 HD13 LEU 27 -12.579 -0.936 0.951 503 HD21 LEU 27 HD21 LEU 27 -15.169 -2.011 3.315 504 HD22 LEU 27 HD22 LEU 27 -16.237 -2.719 2.103 505 HD23 LEU 27 HD23 LEU 27 -16.087 -0.965 2.228 506 H LYS 28 H LYS 28 -14.403 -2.416 -3.027 507 HA LYS 28 HA LYS 28 -16.111 -0.740 -4.355 508 HB2 LYS 28 HB3 LYS 28 -13.822 -1.463 -5.096 509 HB3 LYS 28 HB2 LYS 28 -14.553 -2.943 -5.704 510 HG2 LYS 28 HG3 LYS 28 -14.215 -1.315 -7.485 511 HG3 LYS 28 HG2 LYS 28 -15.930 -1.654 -7.240 512 HD2 LYS 28 HD3 LYS 28 -16.180 0.402 -5.965 513 HD3 LYS 28 HD2 LYS 28 -14.452 0.730 -6.121 514 HE2 LYS 28 HE3 LYS 28 -16.400 0.525 -8.414 515 HE3 LYS 28 HE2 LYS 28 -15.828 2.032 -7.703 516 HZ1 LYS 28 HZ1 LYS 28 -14.577 1.520 -9.671 517 HZ2 LYS 28 HZ2 LYS 28 -14.164 -0.006 -9.076 518 HZ3 LYS 28 HZ3 LYS 28 -13.561 1.386 -8.324 519 H LYS 29 H LYS 29 -16.278 -4.300 -4.311 520 HA LYS 29 HA LYS 29 -18.571 -4.312 -6.024 521 HB2 LYS 29 HB3 LYS 29 -18.653 -6.731 -5.493 522 HB3 LYS 29 HB2 LYS 29 -17.113 -6.202 -6.139 523 HG2 LYS 29 HG3 LYS 29 -16.166 -6.207 -3.893 524 HG3 LYS 29 HG2 LYS 29 -17.721 -6.723 -3.238 525 HD2 LYS 29 HD3 LYS 29 -17.604 -8.787 -4.503 526 HD3 LYS 29 HD2 LYS 29 -16.098 -8.264 -5.260 527 HE2 LYS 29 HE3 LYS 29 -15.010 -8.240 -3.076 528 HE3 LYS 29 HE2 LYS 29 -16.514 -8.749 -2.313 529 HZ1 LYS 29 HZ1 LYS 29 -16.416 -10.804 -3.553 530 HZ2 LYS 29 HZ2 LYS 29 -14.993 -10.597 -2.665 531 HZ3 LYS 29 HZ3 LYS 29 -14.997 -10.308 -4.331 532 H LEU 30 H LEU 30 -18.015 -4.283 -2.568 533 HA LEU 30 HA LEU 30 -20.633 -5.032 -1.781 534 HB2 LEU 30 HB3 LEU 30 -18.551 -3.367 -0.370 535 HB3 LEU 30 HB2 LEU 30 -20.058 -3.870 0.368 536 HG LEU 30 HG LEU 30 -17.874 -5.715 -0.606 537 HD11 LEU 30 HD11 LEU 30 -17.556 -6.202 1.773 538 HD12 LEU 30 HD12 LEU 30 -18.756 -4.975 2.180 539 HD13 LEU 30 HD13 LEU 30 -17.242 -4.506 1.405 540 HD21 LEU 30 HD21 LEU 30 -20.052 -6.745 -0.861 541 HD22 LEU 30 HD22 LEU 30 -20.482 -6.303 0.790 542 HD23 LEU 30 HD23 LEU 30 -19.197 -7.473 0.497 543 H VAL 31 H VAL 31 -19.190 -1.981 -2.733 544 HA VAL 31 HA VAL 31 -21.542 -0.432 -2.113 545 HB VAL 31 HB VAL 31 -19.256 0.318 -3.960 546 HG11 VAL 31 HG11 VAL 31 -21.231 2.042 -2.466 547 HG12 VAL 31 HG12 VAL 31 -21.257 1.711 -4.198 548 HG13 VAL 31 HG13 VAL 31 -19.916 2.616 -3.492 549 HG21 VAL 31 HG21 VAL 31 -18.287 1.481 -2.033 550 HG22 VAL 31 HG22 VAL 31 -18.385 -0.259 -1.763 551 HG23 VAL 31 HG23 VAL 31 -19.555 0.820 -1.001 552 H GLY 32 H GLY 32 -20.398 -2.379 -4.708 553 HA2 GLY 32 HA3 GLY 32 -22.141 -1.316 -6.728 554 HA3 GLY 32 HA2 GLY 32 -21.216 -2.807 -6.822 555 H GLU 33 H GLU 33 -22.093 -4.377 -4.898 556 HA GLU 33 HA GLU 33 -24.967 -4.288 -4.681 557 HB2 GLU 33 HB3 GLU 33 -25.362 -6.522 -5.631 558 HB3 GLU 33 HB2 GLU 33 -24.799 -5.381 -6.836 559 HG2 GLU 33 HG3 GLU 33 -22.947 -7.314 -5.485 560 HG3 GLU 33 HG2 GLU 33 -23.878 -7.747 -6.915 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 21.167 1.613 4.245 2 H2 GLY 1 H2 GLY 1 22.008 2.578 3.142 3 H3 GLY 1 H3 GLY 1 22.516 0.994 3.437 4 HA2 GLY 1 HA2 GLY 1 21.363 1.138 1.327 5 HA3 GLY 1 HA3 GLY 1 20.507 0.111 2.468 6 H SER 2 H SER 2 20.599 3.322 1.022 7 HA SER 2 HA SER 2 17.713 3.449 1.096 8 HB2 SER 2 HB3 SER 2 18.519 4.345 3.330 9 HB3 SER 2 HB2 SER 2 19.292 5.653 2.438 10 HG SER 2 HG SER 2 16.598 5.166 2.934 11 H MET 3 H MET 3 20.473 5.692 0.741 12 HA MET 3 HA MET 3 21.056 7.139 -0.896 13 HB2 MET 3 HB3 MET 3 19.889 4.967 -2.649 14 HB3 MET 3 HB2 MET 3 20.850 6.312 -3.235 15 HG2 MET 3 HG3 MET 3 22.324 4.508 -3.127 16 HG3 MET 3 HG2 MET 3 22.692 5.488 -1.712 17 HE1 MET 3 HE1 MET 3 20.361 1.495 -1.583 18 HE2 MET 3 HE2 MET 3 21.060 2.180 -3.050 19 HE3 MET 3 HE3 MET 3 19.685 2.966 -2.278 20 H LYS 4 H LYS 4 19.963 8.008 -3.231 21 HA LYS 4 HA LYS 4 17.578 9.329 -2.292 22 HB2 LYS 4 HB3 LYS 4 19.039 9.502 -4.929 23 HB3 LYS 4 HB2 LYS 4 17.627 10.464 -4.524 24 HG2 LYS 4 HG3 LYS 4 20.274 10.519 -3.093 25 HG3 LYS 4 HG2 LYS 4 19.678 11.730 -4.224 26 HD2 LYS 4 HD3 LYS 4 18.437 11.014 -1.566 27 HD3 LYS 4 HD2 LYS 4 19.385 12.460 -1.909 28 HE2 LYS 4 HE3 LYS 4 17.683 13.090 -3.613 29 HE3 LYS 4 HE2 LYS 4 16.715 11.712 -3.096 30 HZ1 LYS 4 HZ1 LYS 4 16.607 12.676 -0.876 31 HZ2 LYS 4 HZ2 LYS 4 15.977 13.738 -2.026 32 HZ3 LYS 4 HZ3 LYS 4 17.518 14.005 -1.390 33 H GLN 5 H GLN 5 18.362 7.134 -4.974 34 HA GLN 5 HA GLN 5 15.745 7.113 -6.024 35 HB2 GLN 5 HB3 GLN 5 18.018 5.168 -6.397 36 HB3 GLN 5 HB2 GLN 5 16.521 5.131 -7.319 37 HG2 GLN 5 HG3 GLN 5 17.004 7.409 -8.129 38 HG3 GLN 5 HG2 GLN 5 18.544 7.358 -7.276 39 HE21 GLN 5 HE21 GLN 5 17.995 7.646 -10.119 40 HE22 GLN 5 HE22 GLN 5 18.816 6.343 -10.903 41 H LEU 6 H LEU 6 17.293 5.085 -3.570 42 HA LEU 6 HA LEU 6 15.131 3.162 -3.775 43 HB2 LEU 6 HB3 LEU 6 17.461 2.416 -3.440 44 HB3 LEU 6 HB2 LEU 6 17.494 3.236 -1.896 45 HG LEU 6 HG LEU 6 17.156 0.684 -1.943 46 HD11 LEU 6 HD11 LEU 6 15.393 2.531 -0.354 47 HD12 LEU 6 HD12 LEU 6 16.973 1.887 0.096 48 HD13 LEU 6 HD13 LEU 6 15.583 0.815 -0.012 49 HD21 LEU 6 HD21 LEU 6 15.398 0.681 -3.659 50 HD22 LEU 6 HD22 LEU 6 14.337 1.561 -2.561 51 HD23 LEU 6 HD23 LEU 6 14.859 -0.072 -2.160 52 H GLU 7 H GLU 7 16.228 5.733 -1.599 53 HA GLU 7 HA GLU 7 14.349 5.325 0.437 54 HB2 GLU 7 HB3 GLU 7 16.212 6.830 0.743 55 HB3 GLU 7 HB2 GLU 7 15.674 7.838 -0.593 56 HG2 GLU 7 HG3 GLU 7 15.130 8.935 1.441 57 HG3 GLU 7 HG2 GLU 7 13.647 8.362 0.685 58 H ASP 8 H ASP 8 14.202 7.111 -2.611 59 HA ASP 8 HA ASP 8 11.552 8.084 -2.222 60 HB2 ASP 8 HB3 ASP 8 13.369 7.868 -4.600 61 HB3 ASP 8 HB2 ASP 8 11.679 8.309 -4.818 62 H LYS 9 H LYS 9 12.908 5.124 -3.424 63 HA LYS 9 HA LYS 9 10.608 4.220 -4.826 64 HB2 LYS 9 HB3 LYS 9 12.872 3.342 -5.248 65 HB3 LYS 9 HB2 LYS 9 12.884 2.618 -3.647 66 HG2 LYS 9 HG3 LYS 9 11.000 1.189 -4.285 67 HG3 LYS 9 HG2 LYS 9 11.009 1.912 -5.894 68 HD2 LYS 9 HD3 LYS 9 13.295 0.384 -4.648 69 HD3 LYS 9 HD2 LYS 9 12.168 -0.256 -5.846 70 HE2 LYS 9 HE3 LYS 9 14.016 2.093 -6.267 71 HE3 LYS 9 HE2 LYS 9 14.307 0.453 -6.842 72 HZ1 LYS 9 HZ1 LYS 9 12.033 2.188 -7.640 73 HZ2 LYS 9 HZ2 LYS 9 12.302 0.611 -8.187 74 HZ3 LYS 9 HZ3 LYS 9 13.393 1.842 -8.583 75 H VAL 10 H VAL 10 11.936 3.374 -1.619 76 HA VAL 10 HA VAL 10 9.762 1.709 -0.911 77 HB VAL 10 HB VAL 10 11.938 1.551 0.216 78 HG11 VAL 10 HG11 VAL 10 12.596 3.169 1.925 79 HG12 VAL 10 HG12 VAL 10 11.226 4.189 1.484 80 HG13 VAL 10 HG13 VAL 10 12.524 3.906 0.325 81 HG21 VAL 10 HG21 VAL 10 11.116 1.319 2.519 82 HG22 VAL 10 HG22 VAL 10 9.993 0.643 1.338 83 HG23 VAL 10 HG23 VAL 10 9.660 2.210 2.076 84 H GLU 11 H GLU 11 10.390 5.147 -0.484 85 HA GLU 11 HA GLU 11 8.157 5.768 1.116 86 HB2 GLU 11 HB3 GLU 11 9.984 7.351 0.772 87 HB3 GLU 11 HB2 GLU 11 9.619 7.438 -0.944 88 HG2 GLU 11 HG3 GLU 11 8.785 9.404 0.113 89 HG3 GLU 11 HG2 GLU 11 7.414 8.414 -0.380 90 H GLU 12 H GLU 12 8.627 5.614 -2.377 91 HA GLU 12 HA GLU 12 6.156 6.546 -3.221 92 HB2 GLU 12 HB3 GLU 12 8.001 6.211 -4.754 93 HB3 GLU 12 HB2 GLU 12 7.949 4.475 -4.488 94 HG2 GLU 12 HG3 GLU 12 5.760 4.360 -5.530 95 HG3 GLU 12 HG2 GLU 12 5.760 6.108 -5.752 96 H LEU 13 H LEU 13 7.100 3.120 -2.679 97 HA LEU 13 HA LEU 13 4.483 2.262 -3.364 98 HB2 LEU 13 HB3 LEU 13 6.767 0.759 -2.125 99 HB3 LEU 13 HB2 LEU 13 5.241 0.019 -2.590 100 HG LEU 13 HG LEU 13 6.258 1.631 -4.736 101 HD11 LEU 13 HD11 LEU 13 8.454 1.144 -3.782 102 HD12 LEU 13 HD12 LEU 13 8.224 0.265 -5.293 103 HD13 LEU 13 HD13 LEU 13 8.074 -0.579 -3.751 104 HD21 LEU 13 HD21 LEU 13 5.860 -1.353 -4.582 105 HD22 LEU 13 HD22 LEU 13 5.856 -0.343 -6.025 106 HD23 LEU 13 HD23 LEU 13 4.559 -0.194 -4.840 107 H LEU 14 H LEU 14 5.811 3.177 -0.244 108 HA LEU 14 HA LEU 14 3.423 2.082 0.977 109 HB2 LEU 14 HB3 LEU 14 4.195 2.927 3.090 110 HB3 LEU 14 HB2 LEU 14 5.453 2.020 2.292 111 HG LEU 14 HG LEU 14 6.390 4.325 1.592 112 HD11 LEU 14 HD11 LEU 14 4.408 5.635 2.260 113 HD12 LEU 14 HD12 LEU 14 5.866 6.149 3.107 114 HD13 LEU 14 HD13 LEU 14 4.673 5.149 3.934 115 HD21 LEU 14 HD21 LEU 14 7.520 2.874 3.120 116 HD22 LEU 14 HD22 LEU 14 6.394 3.278 4.416 117 HD23 LEU 14 HD23 LEU 14 7.522 4.497 3.812 118 H SER 15 H SER 15 4.422 4.992 -0.505 119 HA SER 15 HA SER 15 2.236 6.580 0.373 120 HB2 SER 15 HB3 SER 15 4.245 7.562 -0.708 121 HB3 SER 15 HB2 SER 15 3.813 6.754 -2.213 122 HG SER 15 HG SER 15 2.686 8.987 -0.993 123 H LYS 16 H LYS 16 2.813 4.347 -2.373 124 HA LYS 16 HA LYS 16 0.300 4.431 -3.559 125 HB2 LYS 16 HB3 LYS 16 2.204 2.147 -3.060 126 HB3 LYS 16 HB2 LYS 16 0.681 1.898 -3.901 127 HG2 LYS 16 HG3 LYS 16 1.336 3.331 -5.681 128 HG3 LYS 16 HG2 LYS 16 2.746 3.896 -4.787 129 HD2 LYS 16 HD3 LYS 16 3.285 2.246 -6.569 130 HD3 LYS 16 HD2 LYS 16 3.797 1.742 -4.964 131 HE2 LYS 16 HE3 LYS 16 2.845 -0.154 -6.060 132 HE3 LYS 16 HE2 LYS 16 1.721 0.373 -4.805 133 HZ1 LYS 16 HZ1 LYS 16 0.374 1.455 -6.463 134 HZ2 LYS 16 HZ2 LYS 16 0.607 -0.161 -6.907 135 HZ3 LYS 16 HZ3 LYS 16 1.477 1.062 -7.682 136 H ASN 17 H ASN 17 1.346 2.358 -0.881 137 HA ASN 17 HA ASN 17 -1.107 1.283 -0.146 138 HB2 ASN 17 HB3 ASN 17 0.805 0.297 0.779 139 HB3 ASN 17 HB2 ASN 17 1.459 1.837 1.312 140 HD21 ASN 17 HD21 ASN 17 0.885 2.653 3.268 141 HD22 ASN 17 HD22 ASN 17 -0.018 1.760 4.438 142 H TYR 18 H TYR 18 0.394 4.316 0.863 143 HA TYR 18 HA TYR 18 -1.409 4.995 2.901 144 HB2 TYR 18 HB3 TYR 18 0.759 6.088 2.666 145 HB3 TYR 18 HB2 TYR 18 0.271 6.777 1.123 146 HD1 TYR 18 HD1 TYR 18 -0.266 6.908 4.769 147 HD2 TYR 18 HD2 TYR 18 -1.058 8.758 1.022 148 HE1 TYR 18 HE1 TYR 18 -1.112 8.899 5.938 149 HE2 TYR 18 HE2 TYR 18 -1.906 10.750 2.180 150 HH TYR 18 HH TYR 18 -1.419 11.308 5.483 151 H HIS 19 H HIS 19 -1.297 6.051 -0.497 152 HA HIS 19 HA HIS 19 -3.734 7.525 -0.312 153 HB2 HIS 19 HB3 HIS 19 -2.065 6.604 -2.647 154 HB3 HIS 19 HB2 HIS 19 -3.581 7.470 -2.868 155 HD1 HIS 19 HD1 HIS 19 -3.522 9.975 -2.633 156 HD2 HIS 19 HD2 HIS 19 -0.012 8.154 -1.353 157 HE1 HIS 19 HE1 HIS 19 -1.903 11.852 -2.208 158 HE2 HIS 19 HE2 HIS 19 0.156 10.730 -1.283 159 H LEU 20 H LEU 20 -2.900 4.249 -1.213 160 HA LEU 20 HA LEU 20 -5.354 3.530 -2.373 161 HB2 LEU 20 HB3 LEU 20 -3.204 2.293 -2.548 162 HB3 LEU 20 HB2 LEU 20 -3.381 1.814 -0.873 163 HG LEU 20 HG LEU 20 -5.443 0.621 -1.460 164 HD11 LEU 20 HD11 LEU 20 -5.909 0.177 -3.846 165 HD12 LEU 20 HD12 LEU 20 -4.686 1.372 -4.278 166 HD13 LEU 20 HD13 LEU 20 -6.136 1.871 -3.409 167 HD21 LEU 20 HD21 LEU 20 -3.355 -0.574 -1.337 168 HD22 LEU 20 HD22 LEU 20 -2.966 -0.122 -2.996 169 HD23 LEU 20 HD23 LEU 20 -4.311 -1.209 -2.672 170 H GLU 21 H GLU 21 -4.144 3.549 0.945 171 HA GLU 21 HA GLU 21 -6.366 2.301 2.165 172 HB2 GLU 21 HB3 GLU 21 -4.150 2.757 3.253 173 HB3 GLU 21 HB2 GLU 21 -4.606 4.450 3.358 174 HG2 GLU 21 HG3 GLU 21 -6.510 3.847 4.768 175 HG3 GLU 21 HG2 GLU 21 -6.042 2.150 4.667 176 H ASN 22 H ASN 22 -5.810 5.569 1.062 177 HA ASN 22 HA ASN 22 -8.036 6.792 2.296 178 HB2 ASN 22 HB3 ASN 22 -6.599 7.470 -0.278 179 HB3 ASN 22 HB2 ASN 22 -7.829 8.489 0.460 180 HD21 ASN 22 HD21 ASN 22 -6.999 7.973 3.173 181 HD22 ASN 22 HD22 ASN 22 -5.519 8.836 3.402 182 H GLU 23 H GLU 23 -7.656 4.802 -0.522 183 HA GLU 23 HA GLU 23 -10.299 5.313 -1.544 184 HB2 GLU 23 HB3 GLU 23 -8.067 3.459 -2.290 185 HB3 GLU 23 HB2 GLU 23 -9.706 3.118 -2.880 186 HG2 GLU 23 HG3 GLU 23 -8.544 4.335 -4.560 187 HG3 GLU 23 HG2 GLU 23 -9.757 5.401 -3.858 188 H VAL 24 H VAL 24 -8.739 2.894 0.479 189 HA VAL 24 HA VAL 24 -10.906 1.108 0.675 190 HB VAL 24 HB VAL 24 -8.924 1.726 2.879 191 HG11 VAL 24 HG11 VAL 24 -10.862 0.397 3.584 192 HG12 VAL 24 HG12 VAL 24 -9.375 -0.550 3.626 193 HG13 VAL 24 HG13 VAL 24 -10.525 -0.774 2.306 194 HG21 VAL 24 HG21 VAL 24 -8.680 -0.317 0.678 195 HG22 VAL 24 HG22 VAL 24 -7.541 -0.057 1.998 196 HG23 VAL 24 HG23 VAL 24 -7.771 1.189 0.773 197 H ALA 25 H ALA 25 -10.037 4.021 2.455 198 HA ALA 25 HA ALA 25 -12.087 3.848 4.397 199 HB1 ALA 25 HB1 ALA 25 -10.056 5.241 4.629 200 HB2 ALA 25 HB2 ALA 25 -11.551 6.122 4.949 201 HB3 ALA 25 HB3 ALA 25 -10.712 6.339 3.415 202 H ARG 26 H ARG 26 -11.944 5.329 1.199 203 HA ARG 26 HA ARG 26 -14.330 6.822 1.440 204 HB2 ARG 26 HB3 ARG 26 -14.047 7.403 -0.776 205 HB3 ARG 26 HB2 ARG 26 -12.418 6.934 -0.337 206 HG2 ARG 26 HG3 ARG 26 -12.601 4.854 -1.473 207 HG3 ARG 26 HG2 ARG 26 -14.340 5.083 -1.707 208 HD2 ARG 26 HD2 ARG 26 -12.951 5.535 -3.730 209 HD3 ARG 26 HD1 ARG 26 -13.991 6.865 -3.233 210 HE ARG 26 HE ARG 26 -11.502 7.285 -2.059 211 HH11 ARG 26 HH11 ARG 26 -12.881 7.098 -5.265 212 HH12 ARG 26 HH12 ARG 26 -11.764 8.226 -5.961 213 HH21 ARG 26 HH21 ARG 26 -10.016 8.781 -2.973 214 HH22 ARG 26 HH22 ARG 26 -10.134 9.181 -4.657 215 H LEU 27 H LEU 27 -13.643 3.592 0.236 216 HA LEU 27 HA LEU 27 -16.354 3.021 -0.466 217 HB2 LEU 27 HB3 LEU 27 -14.067 1.144 0.097 218 HB3 LEU 27 HB2 LEU 27 -15.608 0.701 -0.603 219 HG LEU 27 HG LEU 27 -13.905 2.747 -1.930 220 HD11 LEU 27 HD11 LEU 27 -12.886 1.008 -3.257 221 HD12 LEU 27 HD12 LEU 27 -13.741 -0.223 -2.329 222 HD13 LEU 27 HD13 LEU 27 -12.514 0.775 -1.548 223 HD21 LEU 27 HD21 LEU 27 -16.171 2.565 -2.714 224 HD22 LEU 27 HD22 LEU 27 -16.019 0.812 -2.837 225 HD23 LEU 27 HD23 LEU 27 -15.094 1.856 -3.919 226 H LYS 28 H LYS 28 -14.361 2.300 2.359 227 HA LYS 28 HA LYS 28 -16.075 0.744 3.832 228 HB2 LYS 28 HB3 LYS 28 -13.775 1.304 4.488 229 HB3 LYS 28 HB2 LYS 28 -14.281 2.945 4.856 230 HG2 LYS 28 HG3 LYS 28 -15.646 2.182 6.672 231 HG3 LYS 28 HG2 LYS 28 -15.350 0.496 6.240 232 HD2 LYS 28 HD3 LYS 28 -13.958 1.137 8.125 233 HD3 LYS 28 HD2 LYS 28 -12.962 0.812 6.706 234 HE2 LYS 28 HE3 LYS 28 -12.817 3.223 6.270 235 HE3 LYS 28 HE2 LYS 28 -13.790 3.535 7.705 236 HZ1 LYS 28 HZ1 LYS 28 -11.108 2.261 7.648 237 HZ2 LYS 28 HZ2 LYS 28 -12.047 2.479 9.035 238 HZ3 LYS 28 HZ3 LYS 28 -11.465 3.823 8.194 239 H LYS 29 H LYS 29 -16.100 4.300 3.581 240 HA LYS 29 HA LYS 29 -18.278 4.543 5.419 241 HB2 LYS 29 HB3 LYS 29 -18.189 6.882 4.967 242 HB3 LYS 29 HB2 LYS 29 -16.542 6.300 5.085 243 HG2 LYS 29 HG3 LYS 29 -16.426 6.259 2.617 244 HG3 LYS 29 HG2 LYS 29 -18.042 6.965 2.564 245 HD2 LYS 29 HD3 LYS 29 -17.147 8.864 3.943 246 HD3 LYS 29 HD2 LYS 29 -15.535 8.186 3.709 247 HE2 LYS 29 HE3 LYS 29 -15.853 9.899 2.077 248 HE3 LYS 29 HE2 LYS 29 -15.906 8.344 1.248 249 HZ1 LYS 29 HZ1 LYS 29 -17.654 9.741 0.434 250 HZ2 LYS 29 HZ2 LYS 29 -18.229 10.034 1.996 251 HZ3 LYS 29 HZ3 LYS 29 -18.355 8.488 1.328 252 H LEU 30 H LEU 30 -17.979 4.054 1.999 253 HA LEU 30 HA LEU 30 -20.633 4.886 1.335 254 HB2 LEU 30 HB3 LEU 30 -18.405 3.565 -0.066 255 HB3 LEU 30 HB2 LEU 30 -20.000 3.135 -0.642 256 HG LEU 30 HG LEU 30 -18.901 4.998 -1.898 257 HD11 LEU 30 HD11 LEU 30 -21.480 5.716 -0.510 258 HD12 LEU 30 HD12 LEU 30 -21.327 4.677 -1.926 259 HD13 LEU 30 HD13 LEU 30 -20.890 6.381 -2.032 260 HD21 LEU 30 HD21 LEU 30 -17.805 6.114 -0.033 261 HD22 LEU 30 HD22 LEU 30 -19.374 6.531 0.652 262 HD23 LEU 30 HD23 LEU 30 -18.876 7.222 -0.889 263 H VAL 31 H VAL 31 -19.136 1.814 2.213 264 HA VAL 31 HA VAL 31 -21.579 0.329 1.858 265 HB VAL 31 HB VAL 31 -19.160 -0.535 3.457 266 HG11 VAL 31 HG11 VAL 31 -19.905 -2.790 2.906 267 HG12 VAL 31 HG12 VAL 31 -21.276 -2.130 2.016 268 HG13 VAL 31 HG13 VAL 31 -21.166 -1.901 3.761 269 HG21 VAL 31 HG21 VAL 31 -19.661 -0.891 0.505 270 HG22 VAL 31 HG22 VAL 31 -18.327 -1.594 1.419 271 HG23 VAL 31 HG23 VAL 31 -18.440 0.155 1.228 272 H GLY 32 H GLY 32 -20.093 2.179 4.374 273 HA2 GLY 32 HA3 GLY 32 -21.700 1.019 6.491 274 HA3 GLY 32 HA2 GLY 32 -20.549 2.338 6.653 275 H GLU 33 H GLU 33 -21.416 4.218 4.962 276 HA GLU 33 HA GLU 33 -22.815 5.986 4.809 277 HB2 GLU 33 HB3 GLU 33 -24.942 3.864 5.126 278 HB3 GLU 33 HB2 GLU 33 -25.254 5.530 4.661 279 HG2 GLU 33 HG3 GLU 33 -23.554 3.588 3.113 280 HG3 GLU 33 HG2 GLU 33 -25.232 3.990 2.750 281 H1 GLY 1 H1 GLY 1 21.168 -1.792 -4.906 282 H2 GLY 1 H2 GLY 1 22.004 -2.764 -3.806 283 H3 GLY 1 H3 GLY 1 22.524 -1.182 -4.098 284 HA2 GLY 1 HA2 GLY 1 21.371 -1.320 -1.987 285 HA3 GLY 1 HA3 GLY 1 20.520 -0.288 -3.128 286 H SER 2 H SER 2 20.600 -3.508 -1.701 287 HA SER 2 HA SER 2 17.712 -3.624 -1.763 288 HB2 SER 2 HB3 SER 2 18.499 -4.509 -4.003 289 HB3 SER 2 HB2 SER 2 19.296 -5.813 -3.127 290 HG SER 2 HG SER 2 16.591 -5.352 -3.591 291 H MET 3 H MET 3 20.467 -5.874 -1.431 292 HA MET 3 HA MET 3 21.055 -7.333 0.199 293 HB2 MET 3 HB3 MET 3 19.898 -5.163 1.962 294 HB3 MET 3 HB2 MET 3 20.857 -6.512 2.543 295 HG2 MET 3 HG3 MET 3 22.334 -4.711 2.433 296 HG3 MET 3 HG2 MET 3 22.698 -5.685 1.015 297 HE1 MET 3 HE1 MET 3 20.378 -1.686 0.913 298 HE2 MET 3 HE2 MET 3 21.085 -2.381 2.372 299 HE3 MET 3 HE3 MET 3 19.702 -3.160 1.606 300 H LYS 4 H LYS 4 19.971 -8.210 2.530 301 HA LYS 4 HA LYS 4 17.578 -9.521 1.604 302 HB2 LYS 4 HB3 LYS 4 19.057 -9.704 4.230 303 HB3 LYS 4 HB2 LYS 4 17.643 -10.667 3.830 304 HG2 LYS 4 HG3 LYS 4 20.284 -10.711 2.383 305 HG3 LYS 4 HG2 LYS 4 19.691 -11.931 3.509 306 HD2 LYS 4 HD3 LYS 4 18.433 -11.196 0.862 307 HD3 LYS 4 HD2 LYS 4 19.384 -12.643 1.191 308 HE2 LYS 4 HE3 LYS 4 17.695 -13.291 2.901 309 HE3 LYS 4 HE2 LYS 4 16.724 -11.906 2.405 310 HZ1 LYS 4 HZ1 LYS 4 16.590 -12.850 0.180 311 HZ2 LYS 4 HZ2 LYS 4 15.976 -13.928 1.329 312 HZ3 LYS 4 HZ3 LYS 4 17.510 -14.182 0.669 313 H GLN 5 H GLN 5 18.383 -7.342 4.302 314 HA GLN 5 HA GLN 5 15.769 -7.317 5.353 315 HB2 GLN 5 HB3 GLN 5 18.042 -5.376 5.729 316 HB3 GLN 5 HB2 GLN 5 16.550 -5.344 6.657 317 HG2 GLN 5 HG3 GLN 5 17.035 -7.622 7.460 318 HG3 GLN 5 HG2 GLN 5 18.569 -7.575 6.593 319 HE21 GLN 5 HE21 GLN 5 18.052 -7.869 9.438 320 HE22 GLN 5 HE22 GLN 5 18.885 -6.567 10.215 321 H LEU 6 H LEU 6 17.312 -5.283 2.899 322 HA LEU 6 HA LEU 6 15.154 -3.355 3.121 323 HB2 LEU 6 HB3 LEU 6 17.484 -2.613 2.782 324 HB3 LEU 6 HB2 LEU 6 17.510 -3.425 1.233 325 HG LEU 6 HG LEU 6 17.176 -0.872 1.291 326 HD11 LEU 6 HD11 LEU 6 15.401 -2.712 -0.295 327 HD12 LEU 6 HD12 LEU 6 16.978 -2.068 -0.753 328 HD13 LEU 6 HD13 LEU 6 15.589 -0.995 -0.632 329 HD21 LEU 6 HD21 LEU 6 15.430 -0.871 3.016 330 HD22 LEU 6 HD22 LEU 6 14.361 -1.749 1.923 331 HD23 LEU 6 HD23 LEU 6 14.880 -0.114 1.523 332 H GLU 7 H GLU 7 16.241 -5.917 0.928 333 HA GLU 7 HA GLU 7 14.352 -5.498 -1.096 334 HB2 GLU 7 HB3 GLU 7 16.211 -7.005 -1.414 335 HB3 GLU 7 HB2 GLU 7 15.674 -8.021 -0.084 336 HG2 GLU 7 HG3 GLU 7 15.117 -9.103 -2.119 337 HG3 GLU 7 HG2 GLU 7 13.637 -8.521 -1.362 338 H ASP 8 H ASP 8 14.216 -7.289 1.947 339 HA ASP 8 HA ASP 8 11.564 -8.260 1.560 340 HB2 ASP 8 HB3 ASP 8 13.392 -8.062 3.932 341 HB3 ASP 8 HB2 ASP 8 11.701 -8.498 4.153 342 H LYS 9 H LYS 9 12.922 -5.305 2.751 343 HA LYS 9 HA LYS 9 10.632 -4.413 4.190 344 HB2 LYS 9 HB3 LYS 9 12.901 -3.543 4.606 345 HB3 LYS 9 HB2 LYS 9 12.908 -2.811 3.009 346 HG2 LYS 9 HG3 LYS 9 11.035 -1.377 3.661 347 HG3 LYS 9 HG2 LYS 9 11.043 -2.104 5.267 348 HD2 LYS 9 HD3 LYS 9 13.329 -0.576 4.020 349 HD3 LYS 9 HD2 LYS 9 12.208 0.059 5.225 350 HE2 LYS 9 HE3 LYS 9 14.062 -2.288 5.626 351 HE3 LYS 9 HE2 LYS 9 14.349 -0.654 6.212 352 HZ1 LYS 9 HZ1 LYS 9 12.088 -2.406 7.007 353 HZ2 LYS 9 HZ2 LYS 9 12.348 -0.833 7.563 354 HZ3 LYS 9 HZ3 LYS 9 13.447 -2.057 7.950 355 H VAL 10 H VAL 10 11.949 -3.549 0.980 356 HA VAL 10 HA VAL 10 9.775 -1.879 0.287 357 HB VAL 10 HB VAL 10 11.946 -1.719 -0.846 358 HG11 VAL 10 HG11 VAL 10 12.597 -3.330 -2.567 359 HG12 VAL 10 HG12 VAL 10 11.228 -4.352 -2.127 360 HG13 VAL 10 HG13 VAL 10 12.531 -4.073 -0.969 361 HG21 VAL 10 HG21 VAL 10 11.116 -1.475 -3.146 362 HG22 VAL 10 HG22 VAL 10 10.000 -0.802 -1.956 363 HG23 VAL 10 HG23 VAL 10 9.659 -2.364 -2.700 364 H GLU 11 H GLU 11 10.397 -5.314 -0.164 365 HA GLU 11 HA GLU 11 8.153 -5.923 -1.753 366 HB2 GLU 11 HB3 GLU 11 9.977 -7.514 -1.431 367 HB3 GLU 11 HB2 GLU 11 9.626 -7.605 0.287 368 HG2 GLU 11 HG3 GLU 11 8.781 -9.567 -0.777 369 HG3 GLU 11 HG2 GLU 11 7.416 -8.578 -0.261 370 H GLU 12 H GLU 12 8.639 -5.785 1.740 371 HA GLU 12 HA GLU 12 6.169 -6.722 2.589 372 HB2 GLU 12 HB3 GLU 12 8.022 -6.396 4.120 373 HB3 GLU 12 HB2 GLU 12 7.967 -4.659 3.864 374 HG2 GLU 12 HG3 GLU 12 5.776 -4.554 4.906 375 HG3 GLU 12 HG2 GLU 12 5.782 -6.302 5.124 376 H LEU 13 H LEU 13 7.117 -3.291 2.064 377 HA LEU 13 HA LEU 13 4.504 -2.432 2.757 378 HB2 LEU 13 HB3 LEU 13 6.789 -0.931 1.519 379 HB3 LEU 13 HB2 LEU 13 5.266 -0.188 1.989 380 HG LEU 13 HG LEU 13 6.283 -1.810 4.127 381 HD11 LEU 13 HD11 LEU 13 8.476 -1.328 3.167 382 HD12 LEU 13 HD12 LEU 13 8.256 -0.454 4.682 383 HD13 LEU 13 HD13 LEU 13 8.101 0.395 3.144 384 HD21 LEU 13 HD21 LEU 13 5.896 1.176 3.985 385 HD22 LEU 13 HD22 LEU 13 5.896 0.161 5.425 386 HD23 LEU 13 HD23 LEU 13 4.590 0.021 4.247 387 H LEU 14 H LEU 14 5.820 -3.337 -0.369 388 HA LEU 14 HA LEU 14 3.430 -2.233 -1.578 389 HB2 LEU 14 HB3 LEU 14 4.194 -3.068 -3.696 390 HB3 LEU 14 HB2 LEU 14 5.458 -2.169 -2.897 391 HG LEU 14 HG LEU 14 6.390 -4.480 -2.213 392 HD11 LEU 14 HD11 LEU 14 4.403 -5.781 -2.879 393 HD12 LEU 14 HD12 LEU 14 5.857 -6.294 -3.733 394 HD13 LEU 14 HD13 LEU 14 4.662 -5.288 -4.553 395 HD21 LEU 14 HD21 LEU 14 7.517 -3.026 -3.740 396 HD22 LEU 14 HD22 LEU 14 6.385 -3.422 -5.033 397 HD23 LEU 14 HD23 LEU 14 7.513 -4.646 -4.438 398 H SER 15 H SER 15 4.432 -5.147 -0.111 399 HA SER 15 HA SER 15 2.243 -6.727 -0.987 400 HB2 SER 15 HB3 SER 15 4.249 -7.724 0.085 401 HB3 SER 15 HB2 SER 15 3.824 -6.918 1.594 402 HG SER 15 HG SER 15 2.675 -9.132 0.360 403 H LYS 16 H LYS 16 2.830 -4.513 1.767 404 HA LYS 16 HA LYS 16 0.325 -4.593 2.961 405 HB2 LYS 16 HB3 LYS 16 2.227 -2.309 2.464 406 HB3 LYS 16 HB2 LYS 16 0.708 -2.065 3.315 407 HG2 LYS 16 HG3 LYS 16 1.368 -3.505 5.080 408 HG3 LYS 16 HG2 LYS 16 2.772 -4.072 4.177 409 HD2 LYS 16 HD3 LYS 16 3.327 -2.432 5.962 410 HD3 LYS 16 HD2 LYS 16 3.828 -1.921 4.358 411 HE2 LYS 16 HE3 LYS 16 2.889 -0.029 5.467 412 HE3 LYS 16 HE2 LYS 16 1.754 -0.548 4.220 413 HZ1 LYS 16 HZ1 LYS 16 0.415 -1.628 5.887 414 HZ2 LYS 16 HZ2 LYS 16 0.655 -0.015 6.325 415 HZ3 LYS 16 HZ3 LYS 16 1.526 -1.237 7.098 416 H ASN 17 H ASN 17 1.358 -2.508 0.291 417 HA ASN 17 HA ASN 17 -1.098 -1.431 -0.431 418 HB2 ASN 17 HB3 ASN 17 0.808 -0.441 -1.362 419 HB3 ASN 17 HB2 ASN 17 1.464 -1.980 -1.896 420 HD21 ASN 17 HD21 ASN 17 0.893 -2.795 -3.850 421 HD22 ASN 17 HD22 ASN 17 -0.030 -1.913 -5.012 422 H TYR 18 H TYR 18 0.395 -4.464 -1.458 423 HA TYR 18 HA TYR 18 -1.415 -5.130 -3.493 424 HB2 TYR 18 HB3 TYR 18 0.755 -6.228 -3.267 425 HB3 TYR 18 HB2 TYR 18 0.265 -6.925 -1.728 426 HD1 TYR 18 HD1 TYR 18 -0.274 -7.039 -5.377 427 HD2 TYR 18 HD2 TYR 18 -1.069 -8.900 -1.636 428 HE1 TYR 18 HE1 TYR 18 -1.134 -9.022 -6.552 429 HE2 TYR 18 HE2 TYR 18 -1.929 -10.887 -2.799 430 HH TYR 18 HH TYR 18 -1.460 -11.437 -6.104 431 H HIS 19 H HIS 19 -1.290 -6.201 -0.096 432 HA HIS 19 HA HIS 19 -3.732 -7.668 -0.282 433 HB2 HIS 19 HB3 HIS 19 -2.053 -6.765 2.049 434 HB3 HIS 19 HB2 HIS 19 -3.569 -7.626 2.273 435 HD1 HIS 19 HD1 HIS 19 -3.518 -10.142 2.019 436 HD2 HIS 19 HD2 HIS 19 -0.011 -8.313 0.732 437 HE1 HIS 19 HE1 HIS 19 -1.901 -12.012 1.581 438 HE2 HIS 19 HE2 HIS 19 0.176 -10.890 0.700 439 H LEU 20 H LEU 20 -2.893 -4.397 0.622 440 HA LEU 20 HA LEU 20 -5.339 -3.680 1.801 441 HB2 LEU 20 HB3 LEU 20 -3.184 -2.447 1.970 442 HB3 LEU 20 HB2 LEU 20 -3.372 -1.960 0.300 443 HG LEU 20 HG LEU 20 -5.427 -0.766 0.904 444 HD11 LEU 20 HD11 LEU 20 -5.883 -0.337 3.296 445 HD12 LEU 20 HD12 LEU 20 -4.662 -1.538 3.716 446 HD13 LEU 20 HD13 LEU 20 -6.117 -2.025 2.847 447 HD21 LEU 20 HD21 LEU 20 -3.338 0.430 0.782 448 HD22 LEU 20 HD22 LEU 20 -2.944 -0.030 2.437 449 HD23 LEU 20 HD23 LEU 20 -4.291 1.058 2.123 450 H GLU 21 H GLU 21 -4.144 -3.684 -1.520 451 HA GLU 21 HA GLU 21 -6.370 -2.431 -2.724 452 HB2 GLU 21 HB3 GLU 21 -4.160 -2.883 -3.827 453 HB3 GLU 21 HB2 GLU 21 -4.619 -4.575 -3.937 454 HG2 GLU 21 HG3 GLU 21 -6.530 -3.965 -5.331 455 HG3 GLU 21 HG2 GLU 21 -6.062 -2.269 -5.225 456 H ASN 22 H ASN 22 -5.814 -5.702 -1.636 457 HA ASN 22 HA ASN 22 -8.050 -6.915 -2.867 458 HB2 ASN 22 HB3 ASN 22 -6.602 -7.613 -0.306 459 HB3 ASN 22 HB2 ASN 22 -7.833 -8.625 -1.050 460 HD21 ASN 22 HD21 ASN 22 -7.008 -8.079 -3.762 461 HD22 ASN 22 HD22 ASN 22 -5.523 -8.927 -4.002 462 H GLU 23 H GLU 23 -7.649 -4.934 -0.047 463 HA GLU 23 HA GLU 23 -10.288 -5.452 0.988 464 HB2 GLU 23 HB3 GLU 23 -8.050 -3.606 1.737 465 HB3 GLU 23 HB2 GLU 23 -9.688 -3.262 2.334 466 HG2 GLU 23 HG3 GLU 23 -8.525 -4.491 4.006 467 HG3 GLU 23 HG2 GLU 23 -9.740 -5.552 3.302 468 H VAL 24 H VAL 24 -8.732 -3.027 -1.035 469 HA VAL 24 HA VAL 24 -10.900 -1.236 -1.212 470 HB VAL 24 HB VAL 24 -8.925 -1.847 -3.425 471 HG11 VAL 24 HG11 VAL 24 -10.863 -0.515 -4.117 472 HG12 VAL 24 HG12 VAL 24 -9.377 0.431 -4.162 473 HG13 VAL 24 HG13 VAL 24 -10.522 0.650 -2.836 474 HG21 VAL 24 HG21 VAL 24 -8.672 0.187 -1.217 475 HG22 VAL 24 HG22 VAL 24 -7.540 -0.067 -2.543 476 HG23 VAL 24 HG23 VAL 24 -7.762 -1.320 -1.323 477 H ALA 25 H ALA 25 -10.038 -4.136 -3.018 478 HA ALA 25 HA ALA 25 -12.096 -3.957 -4.946 479 HB1 ALA 25 HB1 ALA 25 -10.070 -5.356 -5.192 480 HB2 ALA 25 HB2 ALA 25 -11.567 -6.233 -5.509 481 HB3 ALA 25 HB3 ALA 25 -10.723 -6.455 -3.977 482 H ARG 26 H ARG 26 -11.943 -5.451 -1.753 483 HA ARG 26 HA ARG 26 -14.334 -6.935 -1.988 484 HB2 ARG 26 HB3 ARG 26 -14.043 -7.527 0.221 485 HB3 ARG 26 HB2 ARG 26 -12.415 -7.059 -0.221 486 HG2 ARG 26 HG3 ARG 26 -12.589 -4.986 0.927 487 HG3 ARG 26 HG2 ARG 26 -14.326 -5.213 1.167 488 HD2 ARG 26 HD2 ARG 26 -12.930 -5.678 3.180 489 HD3 ARG 26 HD1 ARG 26 -13.977 -7.002 2.679 490 HE ARG 26 HE ARG 26 -11.495 -7.426 1.496 491 HH11 ARG 26 HH11 ARG 26 -12.880 -7.255 4.695 492 HH12 ARG 26 HH12 ARG 26 -11.754 -8.375 5.391 493 HH21 ARG 26 HH21 ARG 26 -10.011 -8.929 2.399 494 HH22 ARG 26 HH22 ARG 26 -10.117 -9.324 4.084 495 H LEU 27 H LEU 27 -13.634 -3.712 -0.782 496 HA LEU 27 HA LEU 27 -16.342 -3.147 -0.057 497 HB2 LEU 27 HB3 LEU 27 -14.060 -1.266 -0.618 498 HB3 LEU 27 HB2 LEU 27 -15.597 -0.827 0.088 499 HG LEU 27 HG LEU 27 -13.892 -2.878 1.401 500 HD11 LEU 27 HD11 LEU 27 -12.861 -1.146 2.731 501 HD12 LEU 27 HD12 LEU 27 -13.716 0.091 1.809 502 HD13 LEU 27 HD13 LEU 27 -12.496 -0.912 1.020 503 HD21 LEU 27 HD21 LEU 27 -16.155 -2.694 2.194 504 HD22 LEU 27 HD22 LEU 27 -15.998 -0.943 2.331 505 HD23 LEU 27 HD23 LEU 27 -15.071 -1.998 3.401 506 H LYS 28 H LYS 28 -14.363 -2.410 -2.888 507 HA LYS 28 HA LYS 28 -16.083 -0.848 -4.345 508 HB2 LYS 28 HB3 LYS 28 -13.785 -1.408 -5.009 509 HB3 LYS 28 HB2 LYS 28 -14.295 -3.046 -5.390 510 HG2 LYS 28 HG3 LYS 28 -15.666 -2.262 -7.194 511 HG3 LYS 28 HG2 LYS 28 -15.359 -0.581 -6.747 512 HD2 LYS 28 HD3 LYS 28 -13.979 -1.215 -8.642 513 HD3 LYS 28 HD2 LYS 28 -12.972 -0.901 -7.228 514 HE2 LYS 28 HE3 LYS 28 -12.838 -3.317 -6.808 515 HE3 LYS 28 HE2 LYS 28 -13.820 -3.614 -8.240 516 HZ1 LYS 28 HZ1 LYS 28 -11.131 -2.363 -8.183 517 HZ2 LYS 28 HZ2 LYS 28 -12.079 -2.549 -9.570 518 HZ3 LYS 28 HZ3 LYS 28 -11.505 -3.910 -8.750 519 H LYS 29 H LYS 29 -16.107 -4.404 -4.113 520 HA LYS 29 HA LYS 29 -18.295 -4.635 -5.942 521 HB2 LYS 29 HB3 LYS 29 -18.209 -6.978 -5.497 522 HB3 LYS 29 HB2 LYS 29 -16.563 -6.397 -5.627 523 HG2 LYS 29 HG3 LYS 29 -16.428 -6.360 -3.158 524 HG3 LYS 29 HG2 LYS 29 -18.045 -7.063 -3.095 525 HD2 LYS 29 HD3 LYS 29 -17.162 -8.959 -4.488 526 HD3 LYS 29 HD2 LYS 29 -15.549 -8.287 -4.251 527 HE2 LYS 29 HE3 LYS 29 -15.874 -10.013 -2.632 528 HE3 LYS 29 HE2 LYS 29 -15.914 -8.463 -1.793 529 HZ1 LYS 29 HZ1 LYS 29 -17.670 -9.849 -0.980 530 HZ2 LYS 29 HZ2 LYS 29 -18.247 -10.141 -2.539 531 HZ3 LYS 29 HZ3 LYS 29 -18.369 -8.594 -1.874 532 H LEU 30 H LEU 30 -17.980 -4.165 -2.519 533 HA LEU 30 HA LEU 30 -20.634 -4.993 -1.845 534 HB2 LEU 30 HB3 LEU 30 -18.394 -3.685 -0.454 535 HB3 LEU 30 HB2 LEU 30 -19.985 -3.251 0.132 536 HG LEU 30 HG LEU 30 -18.882 -5.124 1.374 537 HD11 LEU 30 HD11 LEU 30 -21.469 -5.829 -0.000 538 HD12 LEU 30 HD12 LEU 30 -21.305 -4.794 1.416 539 HD13 LEU 30 HD13 LEU 30 -20.872 -6.500 1.516 540 HD21 LEU 30 HD21 LEU 30 -17.803 -6.237 -0.502 541 HD22 LEU 30 HD22 LEU 30 -19.378 -6.642 -1.181 542 HD23 LEU 30 HD23 LEU 30 -18.874 -7.344 0.355 543 H VAL 31 H VAL 31 -19.133 -1.920 -2.716 544 HA VAL 31 HA VAL 31 -21.573 -0.433 -2.347 545 HB VAL 31 HB VAL 31 -19.160 0.437 -3.951 546 HG11 VAL 31 HG11 VAL 31 -19.903 2.689 -3.387 547 HG12 VAL 31 HG12 VAL 31 -21.269 2.024 -2.493 548 HG13 VAL 31 HG13 VAL 31 -21.167 1.804 -4.240 549 HG21 VAL 31 HG21 VAL 31 -19.650 0.782 -0.997 550 HG22 VAL 31 HG22 VAL 31 -18.319 1.485 -1.914 551 HG23 VAL 31 HG23 VAL 31 -18.434 -0.264 -1.728 552 H GLY 32 H GLY 32 -20.099 -2.268 -4.877 553 HA2 GLY 32 HA3 GLY 32 -21.719 -1.103 -6.981 554 HA3 GLY 32 HA2 GLY 32 -20.569 -2.419 -7.153 555 H GLU 33 H GLU 33 -21.430 -4.307 -5.469 556 HA GLU 33 HA GLU 33 -22.830 -6.072 -5.312 557 HB2 GLU 33 HB3 GLU 33 -24.957 -3.947 -5.625 558 HB3 GLU 33 HB2 GLU 33 -25.272 -5.613 -5.163 559 HG2 GLU 33 HG3 GLU 33 -23.564 -3.678 -3.613 560 HG3 GLU 33 HG2 GLU 33 -25.241 -4.081 -3.247 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 26.648 1.852 -1.538 2 H2 GLY 1 H2 GLY 1 25.764 1.864 -0.099 3 H3 GLY 1 H3 GLY 1 27.224 2.705 -0.198 4 HA2 GLY 1 HA2 GLY 1 25.375 4.226 -0.312 5 HA3 GLY 1 HA3 GLY 1 26.286 4.220 -1.815 6 H SER 2 H SER 2 24.194 5.179 -2.532 7 HA SER 2 HA SER 2 22.444 4.984 -4.007 8 HB2 SER 2 HB3 SER 2 22.863 1.994 -3.785 9 HB3 SER 2 HB2 SER 2 21.875 2.818 -4.988 10 HG SER 2 HG SER 2 24.233 3.953 -5.103 11 H MET 3 H MET 3 22.399 4.559 -0.949 12 HA MET 3 HA MET 3 20.114 3.007 -0.338 13 HB2 MET 3 HB3 MET 3 21.653 5.112 1.155 14 HB3 MET 3 HB2 MET 3 20.207 4.379 1.838 15 HG2 MET 3 HG3 MET 3 22.664 2.877 0.960 16 HG3 MET 3 HG2 MET 3 22.286 3.329 2.623 17 HE1 MET 3 HE1 MET 3 21.708 -0.558 2.566 18 HE2 MET 3 HE2 MET 3 22.587 0.770 3.325 19 HE3 MET 3 HE3 MET 3 22.922 0.334 1.648 20 H LYS 4 H LYS 4 20.577 6.345 -1.252 21 HA LYS 4 HA LYS 4 18.175 7.456 -0.402 22 HB2 LYS 4 HB3 LYS 4 20.008 8.777 -1.358 23 HB3 LYS 4 HB2 LYS 4 19.707 8.068 -2.938 24 HG2 LYS 4 HG3 LYS 4 17.471 9.089 -2.952 25 HG3 LYS 4 HG2 LYS 4 17.814 9.831 -1.389 26 HD2 LYS 4 HD3 LYS 4 19.372 10.313 -3.929 27 HD3 LYS 4 HD2 LYS 4 18.142 11.390 -3.271 28 HE2 LYS 4 HE3 LYS 4 20.722 10.613 -1.915 29 HE3 LYS 4 HE2 LYS 4 20.398 12.151 -2.710 30 HZ1 LYS 4 HZ1 LYS 4 18.650 12.573 -1.097 31 HZ2 LYS 4 HZ2 LYS 4 20.129 12.320 -0.322 32 HZ3 LYS 4 HZ3 LYS 4 18.964 11.098 -0.334 33 H GLN 5 H GLN 5 18.902 5.880 -3.502 34 HA GLN 5 HA GLN 5 16.311 6.240 -4.574 35 HB2 GLN 5 HB3 GLN 5 18.525 4.337 -5.334 36 HB3 GLN 5 HB2 GLN 5 17.033 4.500 -6.244 37 HG2 GLN 5 HG3 GLN 5 18.639 5.802 -7.363 38 HG3 GLN 5 HG2 GLN 5 17.586 6.933 -6.520 39 HE21 GLN 5 HE21 GLN 5 20.115 5.025 -5.011 40 HE22 GLN 5 HE22 GLN 5 21.138 6.365 -4.610 41 H LEU 6 H LEU 6 17.787 3.658 -2.699 42 HA LEU 6 HA LEU 6 15.666 1.803 -3.060 43 HB2 LEU 6 HB3 LEU 6 17.991 2.024 -1.215 44 HB3 LEU 6 HB2 LEU 6 16.692 0.937 -0.768 45 HG LEU 6 HG LEU 6 18.495 -0.250 -1.913 46 HD11 LEU 6 HD11 LEU 6 16.002 -0.088 -3.601 47 HD12 LEU 6 HD12 LEU 6 16.192 -1.056 -2.139 48 HD13 LEU 6 HD13 LEU 6 17.162 -1.416 -3.568 49 HD21 LEU 6 HD21 LEU 6 19.334 1.563 -3.308 50 HD22 LEU 6 HD22 LEU 6 17.853 1.524 -4.266 51 HD23 LEU 6 HD23 LEU 6 18.950 0.144 -4.282 52 H GLU 7 H GLU 7 16.406 4.182 -0.538 53 HA GLU 7 HA GLU 7 14.166 3.567 1.083 54 HB2 GLU 7 HB3 GLU 7 15.818 6.087 0.863 55 HB3 GLU 7 HB2 GLU 7 14.590 5.819 2.093 56 HG2 GLU 7 HG3 GLU 7 15.829 3.918 2.948 57 HG3 GLU 7 HG2 GLU 7 17.043 4.125 1.687 58 H ASP 8 H ASP 8 14.680 5.874 -1.543 59 HA ASP 8 HA ASP 8 12.135 7.107 -1.373 60 HB2 ASP 8 HB3 ASP 8 14.248 6.951 -3.484 61 HB3 ASP 8 HB2 ASP 8 12.654 7.562 -3.915 62 H LYS 9 H LYS 9 13.239 4.133 -2.769 63 HA LYS 9 HA LYS 9 10.975 3.656 -4.425 64 HB2 LYS 9 HB3 LYS 9 13.250 2.518 -4.547 65 HB3 LYS 9 HB2 LYS 9 12.747 1.565 -3.159 66 HG2 LYS 9 HG3 LYS 9 10.950 0.583 -4.415 67 HG3 LYS 9 HG2 LYS 9 11.286 1.641 -5.789 68 HD2 LYS 9 HD3 LYS 9 13.568 0.627 -5.908 69 HD3 LYS 9 HD2 LYS 9 13.061 -0.527 -4.678 70 HE2 LYS 9 HE3 LYS 9 11.755 -0.161 -7.371 71 HE3 LYS 9 HE2 LYS 9 12.901 -1.434 -6.964 72 HZ1 LYS 9 HZ1 LYS 9 10.631 -2.219 -6.832 73 HZ2 LYS 9 HZ2 LYS 9 10.248 -1.026 -5.703 74 HZ3 LYS 9 HZ3 LYS 9 11.348 -2.247 -5.303 75 H VAL 10 H VAL 10 11.824 2.888 -1.094 76 HA VAL 10 HA VAL 10 9.481 1.423 -0.455 77 HB VAL 10 HB VAL 10 11.183 3.091 1.413 78 HG11 VAL 10 HG11 VAL 10 9.333 0.772 1.954 79 HG12 VAL 10 HG12 VAL 10 9.042 2.460 2.376 80 HG13 VAL 10 HG13 VAL 10 10.355 1.571 3.148 81 HG21 VAL 10 HG21 VAL 10 11.458 0.178 0.680 82 HG22 VAL 10 HG22 VAL 10 12.415 1.041 1.885 83 HG23 VAL 10 HG23 VAL 10 12.544 1.475 0.180 84 H GLU 11 H GLU 11 10.359 4.849 -0.160 85 HA GLU 11 HA GLU 11 7.940 5.700 1.020 86 HB2 GLU 11 HB3 GLU 11 9.868 7.271 -0.700 87 HB3 GLU 11 HB2 GLU 11 8.621 7.962 0.327 88 HG2 GLU 11 HG3 GLU 11 10.990 6.354 1.254 89 HG3 GLU 11 HG2 GLU 11 10.806 8.103 1.375 90 H GLU 12 H GLU 12 8.960 5.320 -2.327 91 HA GLU 12 HA GLU 12 6.734 6.371 -3.623 92 HB2 GLU 12 HB3 GLU 12 8.747 5.619 -4.806 93 HB3 GLU 12 HB2 GLU 12 8.376 3.951 -4.396 94 HG2 GLU 12 HG3 GLU 12 6.315 4.097 -5.714 95 HG3 GLU 12 HG2 GLU 12 6.722 5.757 -6.146 96 H LEU 13 H LEU 13 7.262 2.959 -2.640 97 HA LEU 13 HA LEU 13 4.599 2.216 -3.215 98 HB2 LEU 13 HB3 LEU 13 6.894 0.930 -1.867 99 HB3 LEU 13 HB2 LEU 13 5.300 0.281 -1.519 100 HG LEU 13 HG LEU 13 4.997 0.223 -4.077 101 HD11 LEU 13 HD11 LEU 13 6.934 1.541 -4.674 102 HD12 LEU 13 HD12 LEU 13 7.074 -0.088 -5.335 103 HD13 LEU 13 HD13 LEU 13 8.001 0.367 -3.905 104 HD21 LEU 13 HD21 LEU 13 5.139 -1.762 -2.698 105 HD22 LEU 13 HD22 LEU 13 6.900 -1.655 -2.683 106 HD23 LEU 13 HD23 LEU 13 6.049 -1.992 -4.191 107 H LEU 14 H LEU 14 5.945 3.816 -0.454 108 HA LEU 14 HA LEU 14 3.772 3.185 1.269 109 HB2 LEU 14 HB3 LEU 14 6.043 4.217 1.927 110 HB3 LEU 14 HB2 LEU 14 5.332 5.745 1.407 111 HG LEU 14 HG LEU 14 3.754 4.109 3.329 112 HD11 LEU 14 HD11 LEU 14 6.122 5.720 4.277 113 HD12 LEU 14 HD12 LEU 14 6.055 3.958 4.224 114 HD13 LEU 14 HD13 LEU 14 4.947 4.851 5.262 115 HD21 LEU 14 HD21 LEU 14 2.914 6.234 2.486 116 HD22 LEU 14 HD22 LEU 14 4.333 7.057 3.134 117 HD23 LEU 14 HD23 LEU 14 3.181 6.289 4.229 118 H SER 15 H SER 15 4.473 5.762 -1.029 119 HA SER 15 HA SER 15 2.048 7.165 -0.704 120 HB2 SER 15 HB3 SER 15 4.035 8.070 -1.898 121 HB3 SER 15 HB2 SER 15 3.755 6.911 -3.195 122 HG SER 15 HG SER 15 2.869 9.008 -3.602 123 H LYS 16 H LYS 16 3.019 4.403 -2.667 124 HA LYS 16 HA LYS 16 0.736 4.053 -4.210 125 HB2 LYS 16 HB3 LYS 16 2.826 2.772 -4.480 126 HB3 LYS 16 HB2 LYS 16 2.500 1.929 -2.973 127 HG2 LYS 16 HG3 LYS 16 0.490 0.943 -3.963 128 HG3 LYS 16 HG2 LYS 16 0.837 1.780 -5.478 129 HD2 LYS 16 HD3 LYS 16 2.962 0.581 -5.659 130 HD3 LYS 16 HD2 LYS 16 2.631 -0.244 -4.136 131 HE2 LYS 16 HE3 LYS 16 2.101 -1.719 -5.968 132 HE3 LYS 16 HE2 LYS 16 0.613 -1.238 -5.153 133 HZ1 LYS 16 HZ1 LYS 16 1.648 -0.063 -7.675 134 HZ2 LYS 16 HZ2 LYS 16 0.216 0.381 -6.894 135 HZ3 LYS 16 HZ3 LYS 16 0.373 -1.165 -7.551 136 H ASN 17 H ASN 17 1.407 2.802 -0.916 137 HA ASN 17 HA ASN 17 -1.232 1.646 -0.792 138 HB2 ASN 17 HB3 ASN 17 -0.659 0.727 1.305 139 HB3 ASN 17 HB2 ASN 17 0.803 0.629 0.337 140 HD21 ASN 17 HD21 ASN 17 2.602 1.672 0.987 141 HD22 ASN 17 HD22 ASN 17 2.709 2.570 2.462 142 H TYR 18 H TYR 18 0.356 4.537 0.465 143 HA TYR 18 HA TYR 18 -1.579 5.402 2.247 144 HB2 TYR 18 HB3 TYR 18 0.533 6.571 2.009 145 HB3 TYR 18 HB2 TYR 18 0.125 7.044 0.365 146 HD1 TYR 18 HD1 TYR 18 -1.119 7.394 3.866 147 HD2 TYR 18 HD2 TYR 18 -0.822 9.127 -0.009 148 HE1 TYR 18 HE1 TYR 18 -2.143 9.461 4.716 149 HE2 TYR 18 HE2 TYR 18 -1.842 11.199 0.833 150 HH TYR 18 HH TYR 18 -2.237 11.840 4.153 151 H HIS 19 H HIS 19 -1.405 6.086 -1.251 152 HA HIS 19 HA HIS 19 -3.894 7.470 -1.306 153 HB2 HIS 19 HB3 HIS 19 -2.219 6.236 -3.494 154 HB3 HIS 19 HB2 HIS 19 -3.717 7.103 -3.810 155 HD1 HIS 19 HD1 HIS 19 -0.184 7.629 -3.627 156 HD2 HIS 19 HD2 HIS 19 -3.555 9.878 -2.700 157 HE1 HIS 19 HE1 HIS 19 0.597 10.013 -3.540 158 HE2 HIS 19 HE2 HIS 19 -1.421 11.333 -2.822 159 H LEU 20 H LEU 20 -2.961 4.138 -1.610 160 HA LEU 20 HA LEU 20 -5.400 3.181 -2.692 161 HB2 LEU 20 HB3 LEU 20 -3.194 2.033 -2.809 162 HB3 LEU 20 HB2 LEU 20 -3.289 1.746 -1.085 163 HG LEU 20 HG LEU 20 -5.279 0.370 -1.430 164 HD11 LEU 20 HD11 LEU 20 -6.151 1.385 -3.452 165 HD12 LEU 20 HD12 LEU 20 -5.874 -0.337 -3.712 166 HD13 LEU 20 HD13 LEU 20 -4.737 0.846 -4.355 167 HD21 LEU 20 HD21 LEU 20 -2.902 -0.429 -3.096 168 HD22 LEU 20 HD22 LEU 20 -4.124 -1.524 -2.456 169 HD23 LEU 20 HD23 LEU 20 -3.065 -0.646 -1.355 170 H GLU 21 H GLU 21 -4.157 3.822 0.516 171 HA GLU 21 HA GLU 21 -6.224 2.594 2.005 172 HB2 GLU 21 HB3 GLU 21 -4.075 3.345 2.974 173 HB3 GLU 21 HB2 GLU 21 -4.550 5.016 2.707 174 HG2 GLU 21 HG3 GLU 21 -6.430 4.719 4.247 175 HG3 GLU 21 HG2 GLU 21 -5.927 3.052 4.526 176 H ASN 22 H ASN 22 -5.895 5.771 0.508 177 HA ASN 22 HA ASN 22 -8.249 6.930 1.505 178 HB2 ASN 22 HB3 ASN 22 -6.762 7.372 -1.080 179 HB3 ASN 22 HB2 ASN 22 -8.183 8.308 -0.632 180 HD21 ASN 22 HD21 ASN 22 -8.069 9.678 1.186 181 HD22 ASN 22 HD22 ASN 22 -6.545 10.240 1.783 182 H GLU 23 H GLU 23 -7.660 4.596 -0.973 183 HA GLU 23 HA GLU 23 -10.199 4.760 -2.264 184 HB2 GLU 23 HB3 GLU 23 -8.194 2.487 -2.205 185 HB3 GLU 23 HB2 GLU 23 -9.559 2.637 -3.329 186 HG2 GLU 23 HG3 GLU 23 -7.258 4.576 -3.136 187 HG3 GLU 23 HG2 GLU 23 -7.385 3.270 -4.313 188 H VAL 24 H VAL 24 -8.843 2.780 0.332 189 HA VAL 24 HA VAL 24 -11.116 1.090 0.597 190 HB VAL 24 HB VAL 24 -9.158 1.735 2.806 191 HG11 VAL 24 HG11 VAL 24 -10.820 -0.727 2.245 192 HG12 VAL 24 HG12 VAL 24 -11.147 0.489 3.483 193 HG13 VAL 24 HG13 VAL 24 -9.702 -0.514 3.594 194 HG21 VAL 24 HG21 VAL 24 -7.810 -0.146 2.047 195 HG22 VAL 24 HG22 VAL 24 -7.903 1.101 0.805 196 HG23 VAL 24 HG23 VAL 24 -8.875 -0.362 0.660 197 H ALA 25 H ALA 25 -10.087 4.115 2.071 198 HA ALA 25 HA ALA 25 -11.982 4.161 4.157 199 HB1 ALA 25 HB1 ALA 25 -11.380 6.434 4.500 200 HB2 ALA 25 HB2 ALA 25 -10.757 6.575 2.859 201 HB3 ALA 25 HB3 ALA 25 -9.919 5.559 4.035 202 H ARG 26 H ARG 26 -12.126 5.457 0.847 203 HA ARG 26 HA ARG 26 -14.535 6.858 1.240 204 HB2 ARG 26 HB3 ARG 26 -14.716 6.754 -1.265 205 HB3 ARG 26 HB2 ARG 26 -13.282 7.529 -0.628 206 HG2 ARG 26 HG3 ARG 26 -11.960 5.587 -1.170 207 HG3 ARG 26 HG2 ARG 26 -13.394 4.699 -1.688 208 HD2 ARG 26 HD2 ARG 26 -12.240 7.178 -2.951 209 HD3 ARG 26 HD1 ARG 26 -12.249 5.548 -3.624 210 HE ARG 26 HE ARG 26 -14.736 7.048 -3.105 211 HH11 ARG 26 HH11 ARG 26 -12.731 5.105 -5.228 212 HH12 ARG 26 HH12 ARG 26 -13.918 5.045 -6.490 213 HH21 ARG 26 HH21 ARG 26 -16.289 6.954 -4.746 214 HH22 ARG 26 HH22 ARG 26 -15.948 6.096 -6.215 215 H LEU 27 H LEU 27 -13.866 3.613 0.038 216 HA LEU 27 HA LEU 27 -16.585 2.989 -0.512 217 HB2 LEU 27 HB3 LEU 27 -14.275 1.140 0.036 218 HB3 LEU 27 HB2 LEU 27 -15.820 0.693 -0.651 219 HG LEU 27 HG LEU 27 -14.094 2.707 -2.001 220 HD11 LEU 27 HD11 LEU 27 -13.131 0.933 -3.324 221 HD12 LEU 27 HD12 LEU 27 -14.010 -0.269 -2.375 222 HD13 LEU 27 HD13 LEU 27 -12.754 0.711 -1.614 223 HD21 LEU 27 HD21 LEU 27 -16.361 2.590 -2.781 224 HD22 LEU 27 HD22 LEU 27 -16.273 0.831 -2.879 225 HD23 LEU 27 HD23 LEU 27 -15.316 1.826 -3.981 226 H LYS 28 H LYS 28 -14.488 2.444 2.274 227 HA LYS 28 HA LYS 28 -16.017 0.764 3.793 228 HB2 LYS 28 HB3 LYS 28 -13.739 1.713 4.333 229 HB3 LYS 28 HB2 LYS 28 -14.562 3.147 4.930 230 HG2 LYS 28 HG3 LYS 28 -13.975 1.671 6.757 231 HG3 LYS 28 HG2 LYS 28 -15.729 1.783 6.592 232 HD2 LYS 28 HD3 LYS 28 -15.806 -0.353 5.475 233 HD3 LYS 28 HD2 LYS 28 -14.044 -0.446 5.453 234 HE2 LYS 28 HE3 LYS 28 -14.948 -1.845 7.216 235 HE3 LYS 28 HE2 LYS 28 -14.026 -0.510 7.901 236 HZ1 LYS 28 HZ1 LYS 28 -16.083 0.644 8.370 237 HZ2 LYS 28 HZ2 LYS 28 -16.107 -0.890 9.081 238 HZ3 LYS 28 HZ3 LYS 28 -16.986 -0.601 7.666 239 H LYS 29 H LYS 29 -16.341 4.318 3.653 240 HA LYS 29 HA LYS 29 -18.526 4.307 5.495 241 HB2 LYS 29 HB3 LYS 29 -18.701 6.693 4.966 242 HB3 LYS 29 HB2 LYS 29 -17.065 6.231 5.396 243 HG2 LYS 29 HG3 LYS 29 -16.441 6.231 3.042 244 HG3 LYS 29 HG2 LYS 29 -18.094 6.667 2.600 245 HD2 LYS 29 HD3 LYS 29 -17.876 8.754 3.861 246 HD3 LYS 29 HD2 LYS 29 -16.225 8.316 4.301 247 HE2 LYS 29 HE3 LYS 29 -15.608 8.302 1.928 248 HE3 LYS 29 HE2 LYS 29 -17.254 8.767 1.503 249 HZ1 LYS 29 HZ1 LYS 29 -16.961 10.830 2.672 250 HZ2 LYS 29 HZ2 LYS 29 -15.715 10.651 1.545 251 HZ3 LYS 29 HZ3 LYS 29 -15.417 10.375 3.185 252 H LEU 30 H LEU 30 -18.219 4.045 2.045 253 HA LEU 30 HA LEU 30 -20.937 4.752 1.466 254 HB2 LEU 30 HB3 LEU 30 -18.625 3.736 -0.056 255 HB3 LEU 30 HB2 LEU 30 -20.197 3.279 -0.680 256 HG LEU 30 HG LEU 30 -20.833 5.629 -0.873 257 HD11 LEU 30 HD11 LEU 30 -18.058 6.225 0.129 258 HD12 LEU 30 HD12 LEU 30 -19.564 6.540 0.988 259 HD13 LEU 30 HD13 LEU 30 -19.202 7.406 -0.504 260 HD21 LEU 30 HD21 LEU 30 -19.248 6.275 -2.647 261 HD22 LEU 30 HD22 LEU 30 -19.778 4.600 -2.780 262 HD23 LEU 30 HD23 LEU 30 -18.178 4.969 -2.136 263 H VAL 31 H VAL 31 -19.218 1.782 2.192 264 HA VAL 31 HA VAL 31 -21.520 0.109 1.738 265 HB VAL 31 HB VAL 31 -19.025 -0.529 3.337 266 HG11 VAL 31 HG11 VAL 31 -20.951 -2.009 3.775 267 HG12 VAL 31 HG12 VAL 31 -19.611 -2.847 2.995 268 HG13 VAL 31 HG13 VAL 31 -21.027 -2.383 2.053 269 HG21 VAL 31 HG21 VAL 31 -18.435 0.080 1.064 270 HG22 VAL 31 HG22 VAL 31 -19.639 -1.043 0.431 271 HG23 VAL 31 HG23 VAL 31 -18.235 -1.655 1.305 272 H GLY 32 H GLY 32 -20.255 2.047 4.292 273 HA2 GLY 32 HA3 GLY 32 -21.802 0.813 6.384 274 HA3 GLY 32 HA2 GLY 32 -20.883 2.307 6.505 275 H GLU 33 H GLU 33 -21.928 3.977 4.745 276 HA GLU 33 HA GLU 33 -24.762 4.144 5.525 277 HB2 GLU 33 HB3 GLU 33 -22.857 6.387 4.833 278 HB3 GLU 33 HB2 GLU 33 -24.540 6.577 5.300 279 HG2 GLU 33 HG3 GLU 33 -24.013 5.591 7.496 280 HG3 GLU 33 HG2 GLU 33 -22.317 5.501 7.019 281 H1 GLY 1 H1 GLY 1 26.656 -2.060 0.814 282 H2 GLY 1 H2 GLY 1 25.763 -2.062 -0.618 283 H3 GLY 1 H3 GLY 1 27.219 -2.914 -0.531 284 HA2 GLY 1 HA2 GLY 1 25.368 -4.432 -0.400 285 HA3 GLY 1 HA3 GLY 1 26.283 -4.420 1.102 286 H SER 2 H SER 2 24.190 -5.371 1.833 287 HA SER 2 HA SER 2 22.448 -5.175 3.313 288 HB2 SER 2 HB3 SER 2 22.876 -2.185 3.093 289 HB3 SER 2 HB2 SER 2 21.887 -3.007 4.300 290 HG SER 2 HG SER 2 24.223 -4.162 4.425 291 H MET 3 H MET 3 22.391 -4.754 0.257 292 HA MET 3 HA MET 3 20.106 -3.201 -0.349 293 HB2 MET 3 HB3 MET 3 21.635 -5.313 -1.843 294 HB3 MET 3 HB2 MET 3 20.189 -4.578 -2.521 295 HG2 MET 3 HG3 MET 3 22.654 -3.083 -1.660 296 HG3 MET 3 HG2 MET 3 22.261 -3.533 -3.319 297 HE1 MET 3 HE1 MET 3 21.698 0.358 -3.259 298 HE2 MET 3 HE2 MET 3 22.570 -0.973 -4.020 299 HE3 MET 3 HE3 MET 3 22.915 -0.535 -2.347 300 H LYS 4 H LYS 4 20.557 -6.531 0.587 301 HA LYS 4 HA LYS 4 18.152 -7.639 -0.268 302 HB2 LYS 4 HB3 LYS 4 19.989 -8.968 0.675 303 HB3 LYS 4 HB2 LYS 4 19.697 -8.260 2.257 304 HG2 LYS 4 HG3 LYS 4 17.459 -9.274 2.282 305 HG3 LYS 4 HG2 LYS 4 17.797 -10.020 0.720 306 HD2 LYS 4 HD3 LYS 4 19.364 -10.495 3.256 307 HD3 LYS 4 HD2 LYS 4 18.130 -11.575 2.606 308 HE2 LYS 4 HE3 LYS 4 20.703 -10.798 1.235 309 HE3 LYS 4 HE2 LYS 4 20.385 -12.334 2.037 310 HZ1 LYS 4 HZ1 LYS 4 18.634 -12.768 0.437 311 HZ2 LYS 4 HZ2 LYS 4 20.102 -12.504 -0.353 312 HZ3 LYS 4 HZ3 LYS 4 18.928 -11.291 -0.330 313 H GLN 5 H GLN 5 18.903 -6.057 2.820 314 HA GLN 5 HA GLN 5 16.321 -6.415 3.916 315 HB2 GLN 5 HB3 GLN 5 18.546 -4.512 4.658 316 HB3 GLN 5 HB2 GLN 5 17.057 -4.669 5.577 317 HG2 GLN 5 HG3 GLN 5 18.665 -5.979 6.688 318 HG3 GLN 5 HG2 GLN 5 17.602 -7.105 5.852 319 HE21 GLN 5 HE21 GLN 5 20.137 -5.209 4.334 320 HE22 GLN 5 HE22 GLN 5 21.148 -6.553 3.920 321 H LEU 6 H LEU 6 17.788 -3.838 2.027 322 HA LEU 6 HA LEU 6 15.669 -1.977 2.392 323 HB2 LEU 6 HB3 LEU 6 17.987 -2.212 0.538 324 HB3 LEU 6 HB2 LEU 6 16.690 -1.122 0.093 325 HG LEU 6 HG LEU 6 18.500 0.064 1.228 326 HD11 LEU 6 HD11 LEU 6 16.013 -0.093 2.922 327 HD12 LEU 6 HD12 LEU 6 16.202 0.873 1.458 328 HD13 LEU 6 HD13 LEU 6 17.174 1.233 2.884 329 HD21 LEU 6 HD21 LEU 6 19.340 -1.748 2.623 330 HD22 LEU 6 HD22 LEU 6 17.865 -1.703 3.588 331 HD23 LEU 6 HD23 LEU 6 18.965 -0.324 3.596 332 H GLU 7 H GLU 7 16.399 -4.362 -0.129 333 HA GLU 7 HA GLU 7 14.154 -3.753 -1.744 334 HB2 GLU 7 HB3 GLU 7 15.797 -6.277 -1.517 335 HB3 GLU 7 HB2 GLU 7 14.566 -6.010 -2.745 336 HG2 GLU 7 HG3 GLU 7 15.812 -4.121 -3.617 337 HG3 GLU 7 HG2 GLU 7 17.031 -4.326 -2.359 338 H ASP 8 H ASP 8 14.675 -6.058 0.885 339 HA ASP 8 HA ASP 8 12.128 -7.287 0.729 340 HB2 ASP 8 HB3 ASP 8 14.243 -7.126 2.838 341 HB3 ASP 8 HB2 ASP 8 12.649 -7.738 3.269 342 H LYS 9 H LYS 9 13.238 -4.312 2.121 343 HA LYS 9 HA LYS 9 10.983 -3.820 3.783 344 HB2 LYS 9 HB3 LYS 9 13.263 -2.687 3.885 345 HB3 LYS 9 HB2 LYS 9 12.752 -1.738 2.499 346 HG2 LYS 9 HG3 LYS 9 10.968 -0.748 3.763 347 HG3 LYS 9 HG2 LYS 9 11.308 -1.802 5.139 348 HD2 LYS 9 HD3 LYS 9 13.594 -0.792 5.243 349 HD3 LYS 9 HD2 LYS 9 13.080 0.359 4.009 350 HE2 LYS 9 HE3 LYS 9 11.782 -0.001 6.707 351 HE3 LYS 9 HE2 LYS 9 12.930 1.270 6.295 352 HZ1 LYS 9 HZ1 LYS 9 10.653 2.054 6.169 353 HZ2 LYS 9 HZ2 LYS 9 10.276 0.869 5.029 354 HZ3 LYS 9 HZ3 LYS 9 11.378 2.093 4.644 355 H VAL 10 H VAL 10 11.818 -3.064 0.447 356 HA VAL 10 HA VAL 10 9.476 -1.592 -0.185 357 HB VAL 10 HB VAL 10 11.168 -3.267 -2.058 358 HG11 VAL 10 HG11 VAL 10 9.319 -0.947 -2.599 359 HG12 VAL 10 HG12 VAL 10 9.025 -2.635 -3.017 360 HG13 VAL 10 HG13 VAL 10 10.338 -1.750 -3.794 361 HG21 VAL 10 HG21 VAL 10 11.449 -0.354 -1.330 362 HG22 VAL 10 HG22 VAL 10 12.398 -1.218 -2.538 363 HG23 VAL 10 HG23 VAL 10 12.535 -1.651 -0.834 364 H GLU 11 H GLU 11 10.346 -5.021 -0.477 365 HA GLU 11 HA GLU 11 7.920 -5.868 -1.644 366 HB2 GLU 11 HB3 GLU 11 9.849 -7.440 0.073 367 HB3 GLU 11 HB2 GLU 11 8.595 -8.130 -0.947 368 HG2 GLU 11 HG3 GLU 11 10.962 -6.529 -1.889 369 HG3 GLU 11 HG2 GLU 11 10.776 -8.278 -2.002 370 H GLU 12 H GLU 12 8.957 -5.491 1.697 371 HA GLU 12 HA GLU 12 6.733 -6.527 3.005 372 HB2 GLU 12 HB3 GLU 12 8.753 -5.779 4.178 373 HB3 GLU 12 HB2 GLU 12 8.387 -4.111 3.764 374 HG2 GLU 12 HG3 GLU 12 6.333 -4.243 5.092 375 HG3 GLU 12 HG2 GLU 12 6.730 -5.905 5.522 376 H LEU 13 H LEU 13 7.267 -3.118 2.011 377 HA LEU 13 HA LEU 13 4.608 -2.370 2.598 378 HB2 LEU 13 HB3 LEU 13 6.896 -1.088 1.238 379 HB3 LEU 13 HB2 LEU 13 5.303 -0.439 0.897 380 HG LEU 13 HG LEU 13 5.009 -0.376 3.454 381 HD11 LEU 13 HD11 LEU 13 6.949 -1.699 4.047 382 HD12 LEU 13 HD12 LEU 13 7.091 -0.070 4.708 383 HD13 LEU 13 HD13 LEU 13 8.015 -0.524 3.276 384 HD21 LEU 13 HD21 LEU 13 5.152 1.606 2.070 385 HD22 LEU 13 HD22 LEU 13 6.912 1.495 2.048 386 HD23 LEU 13 HD23 LEU 13 6.070 1.839 3.558 387 H LEU 14 H LEU 14 5.937 -3.976 -0.166 388 HA LEU 14 HA LEU 14 3.757 -3.346 -1.879 389 HB2 LEU 14 HB3 LEU 14 6.024 -4.387 -2.546 390 HB3 LEU 14 HB2 LEU 14 5.309 -5.910 -2.022 391 HG LEU 14 HG LEU 14 3.726 -4.274 -3.939 392 HD11 LEU 14 HD11 LEU 14 6.090 -5.884 -4.893 393 HD12 LEU 14 HD12 LEU 14 6.019 -4.121 -4.845 394 HD13 LEU 14 HD13 LEU 14 4.908 -5.020 -5.874 395 HD21 LEU 14 HD21 LEU 14 2.893 -6.398 -3.089 396 HD22 LEU 14 HD22 LEU 14 4.307 -7.221 -3.749 397 HD23 LEU 14 HD23 LEU 14 3.147 -6.450 -4.832 398 H SER 15 H SER 15 4.458 -5.913 0.427 399 HA SER 15 HA SER 15 2.030 -7.317 0.106 400 HB2 SER 15 HB3 SER 15 4.024 -8.219 1.294 401 HB3 SER 15 HB2 SER 15 3.741 -7.065 2.594 402 HG SER 15 HG SER 15 2.856 -9.137 3.034 403 H LYS 16 H LYS 16 3.016 -4.557 2.062 404 HA LYS 16 HA LYS 16 0.739 -4.196 3.609 405 HB2 LYS 16 HB3 LYS 16 2.834 -2.920 3.869 406 HB3 LYS 16 HB2 LYS 16 2.504 -2.078 2.363 407 HG2 LYS 16 HG3 LYS 16 0.499 -1.088 3.361 408 HG3 LYS 16 HG2 LYS 16 0.852 -1.922 4.878 409 HD2 LYS 16 HD3 LYS 16 2.981 -0.728 5.043 410 HD3 LYS 16 HD2 LYS 16 2.644 0.094 3.519 411 HE2 LYS 16 HE3 LYS 16 2.125 1.576 5.349 412 HE3 LYS 16 HE2 LYS 16 0.630 1.093 4.549 413 HZ1 LYS 16 HZ1 LYS 16 1.689 -0.073 7.066 414 HZ2 LYS 16 HZ2 LYS 16 0.250 -0.522 6.303 415 HZ3 LYS 16 HZ3 LYS 16 0.412 1.031 6.952 416 H ASN 17 H ASN 17 1.402 -2.949 0.310 417 HA ASN 17 HA ASN 17 -1.237 -1.790 0.193 418 HB2 ASN 17 HB3 ASN 17 -0.667 -0.874 -1.907 419 HB3 ASN 17 HB2 ASN 17 0.801 -0.782 -0.946 420 HD21 ASN 17 HD21 ASN 17 2.589 -1.831 -1.602 421 HD22 ASN 17 HD22 ASN 17 2.688 -2.733 -3.076 422 H TYR 18 H TYR 18 0.342 -4.687 -1.064 423 HA TYR 18 HA TYR 18 -1.603 -5.552 -2.836 424 HB2 TYR 18 HB3 TYR 18 0.507 -6.724 -2.609 425 HB3 TYR 18 HB2 TYR 18 0.109 -7.193 -0.959 426 HD1 TYR 18 HD1 TYR 18 -1.158 -7.553 -4.453 427 HD2 TYR 18 HD2 TYR 18 -0.842 -9.274 -0.574 428 HE1 TYR 18 HE1 TYR 18 -2.185 -9.622 -5.293 429 HE2 TYR 18 HE2 TYR 18 -1.867 -11.345 -1.407 430 HH TYR 18 HH TYR 18 -2.297 -11.988 -4.728 431 H HIS 19 H HIS 19 -1.414 -6.229 0.664 432 HA HIS 19 HA HIS 19 -3.905 -7.609 0.730 433 HB2 HIS 19 HB3 HIS 19 -2.221 -6.371 2.909 434 HB3 HIS 19 HB2 HIS 19 -3.721 -7.233 3.234 435 HD1 HIS 19 HD1 HIS 19 -0.190 -7.773 3.044 436 HD2 HIS 19 HD2 HIS 19 -3.570 -10.014 2.124 437 HE1 HIS 19 HE1 HIS 19 0.585 -10.158 2.952 438 HE2 HIS 19 HE2 HIS 19 -1.437 -11.471 2.225 439 H LEU 20 H LEU 20 -2.962 -4.276 1.039 440 HA LEU 20 HA LEU 20 -5.395 -3.312 2.118 441 HB2 LEU 20 HB3 LEU 20 -3.188 -2.168 2.222 442 HB3 LEU 20 HB2 LEU 20 -3.291 -1.882 0.498 443 HG LEU 20 HG LEU 20 -5.277 -0.504 0.853 444 HD11 LEU 20 HD11 LEU 20 -6.140 -1.517 2.881 445 HD12 LEU 20 HD12 LEU 20 -5.861 0.205 3.136 446 HD13 LEU 20 HD13 LEU 20 -4.721 -0.978 3.777 447 HD21 LEU 20 HD21 LEU 20 -2.889 0.291 2.506 448 HD22 LEU 20 HD22 LEU 20 -4.112 1.388 1.867 449 HD23 LEU 20 HD23 LEU 20 -3.060 0.503 0.765 450 H GLU 21 H GLU 21 -4.168 -3.957 -1.091 451 HA GLU 21 HA GLU 21 -6.241 -2.731 -2.573 452 HB2 GLU 21 HB3 GLU 21 -4.098 -3.486 -3.551 453 HB3 GLU 21 HB2 GLU 21 -4.573 -5.155 -3.278 454 HG2 GLU 21 HG3 GLU 21 -6.461 -4.860 -4.805 455 HG3 GLU 21 HG2 GLU 21 -5.957 -3.195 -5.092 456 H ASN 22 H ASN 22 -5.915 -5.901 -1.064 457 HA ASN 22 HA ASN 22 -8.268 -7.065 -2.060 458 HB2 ASN 22 HB3 ASN 22 -6.777 -7.503 0.525 459 HB3 ASN 22 HB2 ASN 22 -8.202 -8.436 0.083 460 HD21 ASN 22 HD21 ASN 22 -8.096 -9.806 -1.731 461 HD22 ASN 22 HD22 ASN 22 -6.581 -10.385 -2.325 462 H GLU 23 H GLU 23 -7.672 -4.728 0.414 463 HA GLU 23 HA GLU 23 -10.206 -4.885 1.710 464 HB2 GLU 23 HB3 GLU 23 -8.207 -2.610 1.644 465 HB3 GLU 23 HB2 GLU 23 -9.563 -2.771 2.780 466 HG2 GLU 23 HG3 GLU 23 -7.254 -4.699 2.562 467 HG3 GLU 23 HG2 GLU 23 -7.367 -3.389 3.735 468 H VAL 24 H VAL 24 -8.852 -2.907 -0.887 469 HA VAL 24 HA VAL 24 -11.123 -1.217 -1.150 470 HB VAL 24 HB VAL 24 -9.173 -1.867 -3.366 471 HG11 VAL 24 HG11 VAL 24 -10.832 0.600 -2.807 472 HG12 VAL 24 HG12 VAL 24 -11.164 -0.620 -4.040 473 HG13 VAL 24 HG13 VAL 24 -9.718 0.381 -4.160 474 HG21 VAL 24 HG21 VAL 24 -7.819 0.012 -2.616 475 HG22 VAL 24 HG22 VAL 24 -7.911 -1.231 -1.369 476 HG23 VAL 24 HG23 VAL 24 -8.880 0.234 -1.227 477 H ALA 25 H ALA 25 -10.109 -4.247 -2.618 478 HA ALA 25 HA ALA 25 -12.013 -4.298 -4.696 479 HB1 ALA 25 HB1 ALA 25 -11.410 -6.570 -5.035 480 HB2 ALA 25 HB2 ALA 25 -10.783 -6.708 -3.397 481 HB3 ALA 25 HB3 ALA 25 -9.949 -5.695 -4.576 482 H ARG 26 H ARG 26 -12.148 -5.577 -1.384 483 HA ARG 26 HA ARG 26 -14.558 -6.979 -1.765 484 HB2 ARG 26 HB3 ARG 26 -14.727 -6.872 0.742 485 HB3 ARG 26 HB2 ARG 26 -13.297 -7.646 0.101 486 HG2 ARG 26 HG3 ARG 26 -11.973 -5.705 0.630 487 HG3 ARG 26 HG2 ARG 26 -13.406 -4.814 1.149 488 HD2 ARG 26 HD2 ARG 26 -12.242 -7.282 2.423 489 HD3 ARG 26 HD1 ARG 26 -12.255 -5.650 3.086 490 HE ARG 26 HE ARG 26 -14.738 -7.160 2.580 491 HH11 ARG 26 HH11 ARG 26 -12.727 -5.212 4.692 492 HH12 ARG 26 HH12 ARG 26 -13.907 -5.157 5.959 493 HH21 ARG 26 HH21 ARG 26 -16.284 -7.061 4.231 494 HH22 ARG 26 HH22 ARG 26 -15.931 -6.201 5.696 495 H LEU 27 H LEU 27 -13.881 -3.730 -0.571 496 HA LEU 27 HA LEU 27 -16.593 -3.100 -0.015 497 HB2 LEU 27 HB3 LEU 27 -14.282 -1.256 -0.576 498 HB3 LEU 27 HB2 LEU 27 -15.823 -0.803 0.119 499 HG LEU 27 HG LEU 27 -14.094 -2.822 1.463 500 HD11 LEU 27 HD11 LEU 27 -13.119 -1.047 2.779 501 HD12 LEU 27 HD12 LEU 27 -14.000 0.154 1.834 502 HD13 LEU 27 HD13 LEU 27 -12.751 -0.828 1.068 503 HD21 LEU 27 HD21 LEU 27 -16.356 -2.700 2.253 504 HD22 LEU 27 HD22 LEU 27 -16.267 -0.942 2.347 505 HD23 LEU 27 HD23 LEU 27 -15.306 -1.934 3.448 506 H LYS 28 H LYS 28 -14.510 -2.566 -2.810 507 HA LYS 28 HA LYS 28 -16.039 -0.887 -4.331 508 HB2 LYS 28 HB3 LYS 28 -13.764 -1.844 -4.874 509 HB3 LYS 28 HB2 LYS 28 -14.590 -3.279 -5.463 510 HG2 LYS 28 HG3 LYS 28 -14.011 -1.811 -7.298 511 HG3 LYS 28 HG2 LYS 28 -15.763 -1.915 -7.124 512 HD2 LYS 28 HD3 LYS 28 -15.830 0.225 -6.016 513 HD3 LYS 28 HD2 LYS 28 -14.069 0.313 -5.997 514 HE2 LYS 28 HE3 LYS 28 -14.970 1.711 -7.763 515 HE3 LYS 28 HE2 LYS 28 -14.055 0.371 -8.448 516 HZ1 LYS 28 HZ1 LYS 28 -16.114 -0.772 -8.915 517 HZ2 LYS 28 HZ2 LYS 28 -16.142 0.763 -9.621 518 HZ3 LYS 28 HZ3 LYS 28 -17.012 0.471 -8.205 519 H LYS 29 H LYS 29 -16.369 -4.439 -4.180 520 HA LYS 29 HA LYS 29 -18.565 -4.428 -6.008 521 HB2 LYS 29 HB3 LYS 29 -18.742 -6.810 -5.470 522 HB3 LYS 29 HB2 LYS 29 -17.108 -6.353 -5.912 523 HG2 LYS 29 HG3 LYS 29 -16.470 -6.348 -3.562 524 HG3 LYS 29 HG2 LYS 29 -18.120 -6.778 -3.108 525 HD2 LYS 29 HD3 LYS 29 -17.920 -8.866 -4.366 526 HD3 LYS 29 HD2 LYS 29 -16.271 -8.434 -4.818 527 HE2 LYS 29 HE3 LYS 29 -15.640 -8.423 -2.448 528 HE3 LYS 29 HE2 LYS 29 -17.283 -8.885 -2.013 529 HZ1 LYS 29 HZ1 LYS 29 -17.006 -10.947 -3.195 530 HZ2 LYS 29 HZ2 LYS 29 -15.753 -10.776 -2.074 531 HZ3 LYS 29 HZ3 LYS 29 -15.460 -10.497 -3.714 532 H LEU 30 H LEU 30 -18.240 -4.156 -2.562 533 HA LEU 30 HA LEU 30 -20.956 -4.857 -1.970 534 HB2 LEU 30 HB3 LEU 30 -18.636 -3.846 -0.459 535 HB3 LEU 30 HB2 LEU 30 -20.204 -3.381 0.170 536 HG LEU 30 HG LEU 30 -20.848 -5.729 0.373 537 HD11 LEU 30 HD11 LEU 30 -18.078 -6.338 -0.640 538 HD12 LEU 30 HD12 LEU 30 -19.589 -6.650 -1.492 539 HD13 LEU 30 HD13 LEU 30 -19.225 -7.514 0.001 540 HD21 LEU 30 HD21 LEU 30 -19.254 -6.377 2.136 541 HD22 LEU 30 HD22 LEU 30 -19.779 -4.700 2.270 542 HD23 LEU 30 HD23 LEU 30 -18.185 -5.075 1.616 543 H VAL 31 H VAL 31 -19.238 -1.891 -2.708 544 HA VAL 31 HA VAL 31 -21.535 -0.213 -2.248 545 HB VAL 31 HB VAL 31 -19.044 0.417 -3.858 546 HG11 VAL 31 HG11 VAL 31 -20.971 1.904 -4.285 547 HG12 VAL 31 HG12 VAL 31 -19.623 2.736 -3.512 548 HG13 VAL 31 HG13 VAL 31 -21.035 2.277 -2.560 549 HG21 VAL 31 HG21 VAL 31 -18.445 -0.192 -1.588 550 HG22 VAL 31 HG22 VAL 31 -19.641 0.936 -0.949 551 HG23 VAL 31 HG23 VAL 31 -18.240 1.543 -1.832 552 H GLY 32 H GLY 32 -20.281 -2.159 -4.802 553 HA2 GLY 32 HA3 GLY 32 -21.830 -0.930 -6.899 554 HA3 GLY 32 HA2 GLY 32 -20.917 -2.428 -7.013 555 H GLU 33 H GLU 33 -21.957 -4.086 -5.253 556 HA GLU 33 HA GLU 33 -24.801 -4.240 -6.006 557 HB2 GLU 33 HB3 GLU 33 -22.902 -6.494 -5.329 558 HB3 GLU 33 HB2 GLU 33 -24.588 -6.674 -5.787 559 HG2 GLU 33 HG3 GLU 33 -24.067 -5.703 -7.986 560 HG3 GLU 33 HG2 GLU 33 -22.370 -5.609 -7.518 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 23.098 8.415 -5.086 2 H2 GLY 1 H2 GLY 1 24.251 7.204 -5.316 3 H3 GLY 1 H3 GLY 1 24.631 8.564 -4.392 4 HA2 GLY 1 HA2 GLY 1 24.221 6.671 -2.966 5 HA3 GLY 1 HA3 GLY 1 23.026 7.937 -2.718 6 H SER 2 H SER 2 23.545 4.669 -3.528 7 HA SER 2 HA SER 2 21.038 4.254 -4.879 8 HB2 SER 2 HB3 SER 2 22.881 2.195 -3.638 9 HB3 SER 2 HB2 SER 2 21.615 1.896 -4.828 10 HG SER 2 HG SER 2 22.987 3.611 -6.045 11 H MET 3 H MET 3 22.326 3.841 -1.640 12 HA MET 3 HA MET 3 20.127 2.508 -0.500 13 HB2 MET 3 HB3 MET 3 22.283 2.587 0.608 14 HB3 MET 3 HB2 MET 3 22.189 4.334 0.741 15 HG2 MET 3 HG3 MET 3 21.714 3.255 2.865 16 HG3 MET 3 HG2 MET 3 20.308 4.135 2.269 17 HE1 MET 3 HE1 MET 3 21.599 0.623 0.977 18 HE2 MET 3 HE2 MET 3 20.729 -0.460 2.065 19 HE3 MET 3 HE3 MET 3 21.974 0.614 2.700 20 H LYS 4 H LYS 4 20.840 5.918 -0.992 21 HA LYS 4 HA LYS 4 18.662 6.972 0.462 22 HB2 LYS 4 HB3 LYS 4 20.216 8.060 -1.885 23 HB3 LYS 4 HB2 LYS 4 18.938 8.965 -1.090 24 HG2 LYS 4 HG3 LYS 4 20.189 8.883 1.010 25 HG3 LYS 4 HG2 LYS 4 21.472 7.986 0.209 26 HD2 LYS 4 HD3 LYS 4 22.107 10.299 0.334 27 HD3 LYS 4 HD2 LYS 4 21.769 9.892 -1.349 28 HE2 LYS 4 HE3 LYS 4 20.817 12.054 -0.786 29 HE3 LYS 4 HE2 LYS 4 19.541 10.892 -1.134 30 HZ1 LYS 4 HZ1 LYS 4 19.196 10.609 1.237 31 HZ2 LYS 4 HZ2 LYS 4 19.037 12.237 0.816 32 HZ3 LYS 4 HZ3 LYS 4 20.444 11.696 1.579 33 H GLN 5 H GLN 5 19.013 5.942 -2.894 34 HA GLN 5 HA GLN 5 16.460 6.752 -3.769 35 HB2 GLN 5 HB3 GLN 5 18.320 4.615 -4.805 36 HB3 GLN 5 HB2 GLN 5 16.833 5.089 -5.615 37 HG2 GLN 5 HG3 GLN 5 17.693 7.378 -5.822 38 HG3 GLN 5 HG2 GLN 5 19.197 6.864 -5.059 39 HE21 GLN 5 HE21 GLN 5 20.409 7.418 -6.860 40 HE22 GLN 5 HE22 GLN 5 20.376 6.485 -8.317 41 H LEU 6 H LEU 6 17.619 3.775 -2.277 42 HA LEU 6 HA LEU 6 15.199 2.330 -2.617 43 HB2 LEU 6 HB3 LEU 6 17.671 1.990 -1.015 44 HB3 LEU 6 HB2 LEU 6 16.249 1.134 -0.459 45 HG LEU 6 HG LEU 6 17.651 -0.289 -1.863 46 HD11 LEU 6 HD11 LEU 6 15.218 -0.621 -1.844 47 HD12 LEU 6 HD12 LEU 6 15.945 -1.082 -3.380 48 HD13 LEU 6 HD13 LEU 6 15.073 0.442 -3.242 49 HD21 LEU 6 HD21 LEU 6 18.658 1.428 -3.267 50 HD22 LEU 6 HD22 LEU 6 17.100 1.723 -4.040 51 HD23 LEU 6 HD23 LEU 6 17.908 0.168 -4.248 52 H GLU 7 H GLU 7 16.484 4.312 0.027 53 HA GLU 7 HA GLU 7 14.377 3.943 1.827 54 HB2 GLU 7 HB3 GLU 7 16.655 5.054 2.207 55 HB3 GLU 7 HB2 GLU 7 15.931 6.508 1.534 56 HG2 GLU 7 HG3 GLU 7 14.228 6.472 3.277 57 HG3 GLU 7 HG2 GLU 7 14.954 5.010 3.940 58 H ASP 8 H ASP 8 14.775 6.137 -0.893 59 HA ASP 8 HA ASP 8 12.333 7.562 -0.367 60 HB2 ASP 8 HB3 ASP 8 14.303 7.542 -2.628 61 HB3 ASP 8 HB2 ASP 8 12.731 8.304 -2.841 62 H LYS 9 H LYS 9 13.282 4.761 -2.211 63 HA LYS 9 HA LYS 9 10.942 4.627 -3.822 64 HB2 LYS 9 HB3 LYS 9 13.125 3.486 -4.335 65 HB3 LYS 9 HB2 LYS 9 12.762 2.341 -3.049 66 HG2 LYS 9 HG3 LYS 9 10.697 1.710 -4.254 67 HG3 LYS 9 HG2 LYS 9 11.175 2.781 -5.568 68 HD2 LYS 9 HD3 LYS 9 13.202 1.481 -5.922 69 HD3 LYS 9 HD2 LYS 9 12.778 0.425 -4.572 70 HE2 LYS 9 HE3 LYS 9 10.789 -0.318 -5.746 71 HE3 LYS 9 HE2 LYS 9 11.128 0.794 -7.069 72 HZ1 LYS 9 HZ1 LYS 9 12.836 -1.497 -6.260 73 HZ2 LYS 9 HZ2 LYS 9 13.156 -0.432 -7.533 74 HZ3 LYS 9 HZ3 LYS 9 11.813 -1.455 -7.606 75 H VAL 10 H VAL 10 11.913 3.048 -0.786 76 HA VAL 10 HA VAL 10 9.548 1.520 -0.507 77 HB VAL 10 HB VAL 10 11.596 0.996 0.744 78 HG11 VAL 10 HG11 VAL 10 10.974 3.458 2.365 79 HG12 VAL 10 HG12 VAL 10 12.341 3.252 1.269 80 HG13 VAL 10 HG13 VAL 10 12.224 2.267 2.728 81 HG21 VAL 10 HG21 VAL 10 9.176 1.561 2.440 82 HG22 VAL 10 HG22 VAL 10 10.534 0.556 2.939 83 HG23 VAL 10 HG23 VAL 10 9.542 0.076 1.562 84 H GLU 11 H GLU 11 10.372 4.817 0.374 85 HA GLU 11 HA GLU 11 7.967 5.294 1.868 86 HB2 GLU 11 HB3 GLU 11 10.256 6.611 1.827 87 HB3 GLU 11 HB2 GLU 11 9.513 7.474 0.494 88 HG2 GLU 11 HG3 GLU 11 8.306 7.242 3.240 89 HG3 GLU 11 HG2 GLU 11 9.298 8.592 2.702 90 H GLU 12 H GLU 12 9.051 5.773 -1.465 91 HA GLU 12 HA GLU 12 6.809 6.998 -2.545 92 HB2 GLU 12 HB3 GLU 12 9.032 6.427 -3.665 93 HB3 GLU 12 HB2 GLU 12 8.370 4.825 -3.944 94 HG2 GLU 12 HG3 GLU 12 6.995 7.311 -4.907 95 HG3 GLU 12 HG2 GLU 12 8.245 6.506 -5.846 96 H LEU 13 H LEU 13 7.387 3.489 -2.079 97 HA LEU 13 HA LEU 13 4.747 2.827 -2.911 98 HB2 LEU 13 HB3 LEU 13 6.870 1.243 -1.517 99 HB3 LEU 13 HB2 LEU 13 5.233 0.630 -1.631 100 HG LEU 13 HG LEU 13 5.426 1.060 -4.143 101 HD11 LEU 13 HD11 LEU 13 7.698 0.941 -5.049 102 HD12 LEU 13 HD12 LEU 13 8.351 1.077 -3.416 103 HD13 LEU 13 HD13 LEU 13 7.436 2.413 -4.117 104 HD21 LEU 13 HD21 LEU 13 6.501 -1.122 -4.485 105 HD22 LEU 13 HD22 LEU 13 5.340 -1.153 -3.158 106 HD23 LEU 13 HD23 LEU 13 7.069 -1.093 -2.816 107 H LEU 14 H LEU 14 5.862 4.195 -0.008 108 HA LEU 14 HA LEU 14 3.715 3.181 1.604 109 HB2 LEU 14 HB3 LEU 14 5.979 4.175 2.396 110 HB3 LEU 14 HB2 LEU 14 5.214 5.730 2.144 111 HG LEU 14 HG LEU 14 3.352 4.492 3.692 112 HD11 LEU 14 HD11 LEU 14 4.707 3.521 5.586 113 HD12 LEU 14 HD12 LEU 14 6.054 3.424 4.446 114 HD13 LEU 14 HD13 LEU 14 4.569 2.519 4.144 115 HD21 LEU 14 HD21 LEU 14 4.245 5.819 5.532 116 HD22 LEU 14 HD22 LEU 14 4.225 6.733 4.022 117 HD23 LEU 14 HD23 LEU 14 5.740 6.064 4.630 118 H SER 15 H SER 15 4.371 6.049 -0.344 119 HA SER 15 HA SER 15 1.801 7.197 0.131 120 HB2 SER 15 HB3 SER 15 2.456 8.471 -2.066 121 HB3 SER 15 HB2 SER 15 3.328 8.799 -0.569 122 HG SER 15 HG SER 15 4.141 7.282 -2.808 123 H LYS 16 H LYS 16 3.146 4.901 -2.188 124 HA LYS 16 HA LYS 16 0.953 4.551 -3.863 125 HB2 LYS 16 HB3 LYS 16 3.058 3.362 -4.180 126 HB3 LYS 16 HB2 LYS 16 2.819 2.483 -2.679 127 HG2 LYS 16 HG3 LYS 16 0.850 1.383 -3.663 128 HG3 LYS 16 HG2 LYS 16 1.169 2.224 -5.183 129 HD2 LYS 16 HD3 LYS 16 3.270 1.106 -5.440 130 HD3 LYS 16 HD2 LYS 16 3.168 0.427 -3.817 131 HE2 LYS 16 HE3 LYS 16 2.635 -1.265 -5.474 132 HE3 LYS 16 HE2 LYS 16 1.214 -0.890 -4.500 133 HZ1 LYS 16 HZ1 LYS 16 0.367 0.472 -6.278 134 HZ2 LYS 16 HZ2 LYS 16 0.704 -1.074 -6.868 135 HZ3 LYS 16 HZ3 LYS 16 1.755 0.205 -7.205 136 H ASN 17 H ASN 17 1.577 3.099 -0.667 137 HA ASN 17 HA ASN 17 -0.879 1.787 -0.356 138 HB2 ASN 17 HB3 ASN 17 1.161 2.838 1.572 139 HB3 ASN 17 HB2 ASN 17 -0.382 2.249 2.177 140 HD21 ASN 17 HD21 ASN 17 2.656 1.406 0.780 141 HD22 ASN 17 HD22 ASN 17 2.478 -0.308 0.928 142 H TYR 18 H TYR 18 0.127 5.059 0.576 143 HA TYR 18 HA TYR 18 -2.183 5.855 1.887 144 HB2 TYR 18 HB3 TYR 18 -0.108 7.168 1.882 145 HB3 TYR 18 HB2 TYR 18 -0.358 7.562 0.185 146 HD1 TYR 18 HD1 TYR 18 -1.605 9.452 -0.418 147 HD2 TYR 18 HD2 TYR 18 -1.896 7.945 3.550 148 HE1 TYR 18 HE1 TYR 18 -2.925 11.423 0.228 149 HE2 TYR 18 HE2 TYR 18 -3.215 9.913 4.207 150 HH TYR 18 HH TYR 18 -3.564 12.235 3.457 151 H HIS 19 H HIS 19 -1.461 5.976 -1.589 152 HA HIS 19 HA HIS 19 -3.846 7.317 -2.341 153 HB2 HIS 19 HB3 HIS 19 -2.151 5.410 -3.973 154 HB3 HIS 19 HB2 HIS 19 -3.380 6.487 -4.620 155 HD1 HIS 19 HD1 HIS 19 -0.257 6.492 -5.316 156 HD2 HIS 19 HD2 HIS 19 -2.250 9.131 -2.800 157 HE1 HIS 19 HE1 HIS 19 1.157 8.569 -5.256 158 HE2 HIS 19 HE2 HIS 19 0.003 10.099 -3.625 159 H LEU 20 H LEU 20 -2.970 3.923 -2.067 160 HA LEU 20 HA LEU 20 -5.398 2.874 -3.048 161 HB2 LEU 20 HB3 LEU 20 -3.233 1.690 -2.994 162 HB3 LEU 20 HB2 LEU 20 -3.308 1.657 -1.245 163 HG LEU 20 HG LEU 20 -5.323 0.257 -1.383 164 HD11 LEU 20 HD11 LEU 20 -5.900 -0.792 -3.530 165 HD12 LEU 20 HD12 LEU 20 -4.745 0.264 -4.340 166 HD13 LEU 20 HD13 LEU 20 -6.164 0.951 -3.550 167 HD21 LEU 20 HD21 LEU 20 -3.106 -0.734 -1.127 168 HD22 LEU 20 HD22 LEU 20 -2.934 -0.806 -2.880 169 HD23 LEU 20 HD23 LEU 20 -4.164 -1.776 -2.073 170 H GLU 21 H GLU 21 -4.208 3.810 0.112 171 HA GLU 21 HA GLU 21 -6.318 2.789 1.682 172 HB2 GLU 21 HB3 GLU 21 -4.161 3.597 2.594 173 HB3 GLU 21 HB2 GLU 21 -4.609 5.241 2.165 174 HG2 GLU 21 HG3 GLU 21 -6.523 5.094 3.697 175 HG3 GLU 21 HG2 GLU 21 -6.005 3.474 4.158 176 H ASN 22 H ASN 22 -5.910 5.803 -0.098 177 HA ASN 22 HA ASN 22 -8.238 7.109 0.759 178 HB2 ASN 22 HB3 ASN 22 -6.752 7.247 -1.865 179 HB3 ASN 22 HB2 ASN 22 -8.130 8.277 -1.489 180 HD21 ASN 22 HD21 ASN 22 -5.415 9.054 -2.056 181 HD22 ASN 22 HD22 ASN 22 -4.849 9.916 -0.671 182 H GLU 23 H GLU 23 -7.706 4.544 -1.516 183 HA GLU 23 HA GLU 23 -10.288 4.665 -2.741 184 HB2 GLU 23 HB3 GLU 23 -8.274 2.403 -2.679 185 HB3 GLU 23 HB2 GLU 23 -9.689 2.508 -3.748 186 HG2 GLU 23 HG3 GLU 23 -7.307 4.359 -3.735 187 HG3 GLU 23 HG2 GLU 23 -7.666 3.114 -4.931 188 H VAL 24 H VAL 24 -8.865 2.914 -0.036 189 HA VAL 24 HA VAL 24 -11.094 1.209 0.417 190 HB VAL 24 HB VAL 24 -9.164 2.182 2.533 191 HG11 VAL 24 HG11 VAL 24 -11.132 0.999 3.372 192 HG12 VAL 24 HG12 VAL 24 -9.664 0.054 3.620 193 HG13 VAL 24 HG13 VAL 24 -10.773 -0.367 2.313 194 HG21 VAL 24 HG21 VAL 24 -8.840 -0.197 0.713 195 HG22 VAL 24 HG22 VAL 24 -7.765 0.268 2.030 196 HG23 VAL 24 HG23 VAL 24 -7.916 1.300 0.610 197 H ALA 25 H ALA 25 -10.187 4.428 1.485 198 HA ALA 25 HA ALA 25 -12.140 4.688 3.515 199 HB1 ALA 25 HB1 ALA 25 -10.084 6.074 3.322 200 HB2 ALA 25 HB2 ALA 25 -11.559 6.998 3.597 201 HB3 ALA 25 HB3 ALA 25 -10.852 6.933 1.985 202 H ARG 26 H ARG 26 -12.171 5.590 0.069 203 HA ARG 26 HA ARG 26 -14.599 7.007 0.176 204 HB2 ARG 26 HB3 ARG 26 -14.710 6.464 -2.306 205 HB3 ARG 26 HB2 ARG 26 -13.339 7.403 -1.758 206 HG2 ARG 26 HG3 ARG 26 -11.913 5.479 -1.904 207 HG3 ARG 26 HG2 ARG 26 -13.281 4.432 -2.276 208 HD2 ARG 26 HD2 ARG 26 -12.089 4.935 -4.297 209 HD3 ARG 26 HD1 ARG 26 -13.667 5.713 -4.340 210 HE ARG 26 HE ARG 26 -11.749 7.518 -3.335 211 HH11 ARG 26 HH11 ARG 26 -12.685 5.933 -6.313 212 HH12 ARG 26 HH12 ARG 26 -12.097 7.211 -7.328 213 HH21 ARG 26 HH21 ARG 26 -10.962 9.203 -4.679 214 HH22 ARG 26 HH22 ARG 26 -11.120 9.066 -6.404 215 H LEU 27 H LEU 27 -13.888 3.609 -0.452 216 HA LEU 27 HA LEU 27 -16.593 2.898 -0.969 217 HB2 LEU 27 HB3 LEU 27 -14.286 1.173 -0.104 218 HB3 LEU 27 HB2 LEU 27 -15.821 0.613 -0.729 219 HG LEU 27 HG LEU 27 -14.101 2.409 -2.364 220 HD11 LEU 27 HD11 LEU 27 -13.976 -0.589 -2.284 221 HD12 LEU 27 HD12 LEU 27 -12.747 0.505 -1.647 222 HD13 LEU 27 HD13 LEU 27 -13.088 0.476 -3.378 223 HD21 LEU 27 HD21 LEU 27 -15.298 1.176 -4.183 224 HD22 LEU 27 HD22 LEU 27 -16.340 2.158 -3.153 225 HD23 LEU 27 HD23 LEU 27 -16.273 0.409 -2.927 226 H LYS 28 H LYS 28 -14.546 2.741 1.915 227 HA LYS 28 HA LYS 28 -16.157 1.359 3.642 228 HB2 LYS 28 HB3 LYS 28 -13.884 2.226 4.150 229 HB3 LYS 28 HB2 LYS 28 -14.570 3.832 4.343 230 HG2 LYS 28 HG3 LYS 28 -14.228 2.832 6.501 231 HG3 LYS 28 HG2 LYS 28 -15.958 2.991 6.196 232 HD2 LYS 28 HD3 LYS 28 -16.058 0.630 5.556 233 HD3 LYS 28 HD2 LYS 28 -14.326 0.474 5.854 234 HE2 LYS 28 HE3 LYS 28 -14.677 1.047 8.202 235 HE3 LYS 28 HE2 LYS 28 -16.404 1.226 7.906 236 HZ1 LYS 28 HZ1 LYS 28 -14.859 -1.288 7.567 237 HZ2 LYS 28 HZ2 LYS 28 -16.530 -1.107 7.347 238 HZ3 LYS 28 HZ3 LYS 28 -15.854 -0.920 8.884 239 H LYS 29 H LYS 29 -16.349 4.847 2.929 240 HA LYS 29 HA LYS 29 -18.568 5.227 4.688 241 HB2 LYS 29 HB3 LYS 29 -18.641 7.490 3.723 242 HB3 LYS 29 HB2 LYS 29 -17.052 7.055 4.318 243 HG2 LYS 29 HG3 LYS 29 -16.328 6.589 2.033 244 HG3 LYS 29 HG2 LYS 29 -17.928 7.031 1.440 245 HD2 LYS 29 HD3 LYS 29 -16.408 8.888 1.150 246 HD3 LYS 29 HD2 LYS 29 -17.615 9.295 2.369 247 HE2 LYS 29 HE3 LYS 29 -16.004 8.751 4.135 248 HE3 LYS 29 HE2 LYS 29 -14.801 8.354 2.908 249 HZ1 LYS 29 HZ1 LYS 29 -14.892 10.634 2.133 250 HZ2 LYS 29 HZ2 LYS 29 -14.490 10.585 3.771 251 HZ3 LYS 29 HZ3 LYS 29 -16.054 11.016 3.299 252 H LEU 30 H LEU 30 -18.213 4.353 1.351 253 HA LEU 30 HA LEU 30 -20.899 5.030 0.613 254 HB2 LEU 30 HB3 LEU 30 -18.602 3.706 -0.674 255 HB3 LEU 30 HB2 LEU 30 -20.178 3.175 -1.226 256 HG LEU 30 HG LEU 30 -20.762 5.429 -1.897 257 HD11 LEU 30 HD11 LEU 30 -19.601 6.678 -0.159 258 HD12 LEU 30 HD12 LEU 30 -19.168 7.269 -1.763 259 HD13 LEU 30 HD13 LEU 30 -18.049 6.240 -0.870 260 HD21 LEU 30 HD21 LEU 30 -18.031 4.603 -2.866 261 HD22 LEU 30 HD22 LEU 30 -19.091 5.760 -3.669 262 HD23 LEU 30 HD23 LEU 30 -19.584 4.077 -3.515 263 H VAL 31 H VAL 31 -19.268 2.159 1.831 264 HA VAL 31 HA VAL 31 -21.596 0.493 1.620 265 HB VAL 31 HB VAL 31 -19.172 0.072 3.394 266 HG11 VAL 31 HG11 VAL 31 -21.158 -1.264 3.994 267 HG12 VAL 31 HG12 VAL 31 -19.818 -2.253 3.413 268 HG13 VAL 31 HG13 VAL 31 -21.187 -1.916 2.354 269 HG21 VAL 31 HG21 VAL 31 -19.705 -0.910 0.595 270 HG22 VAL 31 HG22 VAL 31 -18.343 -1.383 1.609 271 HG23 VAL 31 HG23 VAL 31 -18.499 0.287 1.066 272 H GLY 32 H GLY 32 -20.310 2.736 3.950 273 HA2 GLY 32 HA3 GLY 32 -22.017 1.843 6.104 274 HA3 GLY 32 HA2 GLY 32 -20.972 3.257 6.112 275 H GLU 33 H GLU 33 -21.820 4.740 4.061 276 HA GLU 33 HA GLU 33 -23.377 6.188 3.310 277 HB2 GLU 33 HB3 GLU 33 -24.636 4.119 2.720 278 HB3 GLU 33 HB2 GLU 33 -25.434 4.197 4.282 279 HG2 GLU 33 HG3 GLU 33 -26.484 6.277 3.694 280 HG3 GLU 33 HG2 GLU 33 -25.590 6.340 2.176 281 H1 GLY 1 H1 GLY 1 23.103 -8.647 4.340 282 H2 GLY 1 H2 GLY 1 24.265 -7.445 4.593 283 H3 GLY 1 H3 GLY 1 24.636 -8.794 3.644 284 HA2 GLY 1 HA2 GLY 1 24.234 -6.865 2.258 285 HA3 GLY 1 HA3 GLY 1 23.042 -8.127 1.981 286 H SER 2 H SER 2 23.550 -4.878 2.842 287 HA SER 2 HA SER 2 21.049 -4.480 4.205 288 HB2 SER 2 HB3 SER 2 22.887 -2.412 2.975 289 HB3 SER 2 HB2 SER 2 21.646 -2.130 4.194 290 HG SER 2 HG SER 2 22.959 -3.787 5.435 291 H MET 3 H MET 3 22.325 -4.027 0.962 292 HA MET 3 HA MET 3 20.123 -2.675 -0.152 293 HB2 MET 3 HB3 MET 3 22.272 -2.741 -1.272 294 HB3 MET 3 HB2 MET 3 22.181 -4.487 -1.421 295 HG2 MET 3 HG3 MET 3 21.698 -3.392 -3.533 296 HG3 MET 3 HG2 MET 3 20.294 -4.275 -2.942 297 HE1 MET 3 HE1 MET 3 21.583 -0.784 -1.612 298 HE2 MET 3 HE2 MET 3 20.716 0.318 -2.680 299 HE3 MET 3 HE3 MET 3 21.962 -0.744 -3.334 300 H LYS 4 H LYS 4 20.834 -6.093 0.293 301 HA LYS 4 HA LYS 4 18.646 -7.126 -1.161 302 HB2 LYS 4 HB3 LYS 4 20.217 -8.246 1.160 303 HB3 LYS 4 HB2 LYS 4 18.933 -9.140 0.364 304 HG2 LYS 4 HG3 LYS 4 20.168 -9.037 -1.743 305 HG3 LYS 4 HG2 LYS 4 21.459 -8.146 -0.943 306 HD2 LYS 4 HD3 LYS 4 22.097 -10.457 -1.092 307 HD3 LYS 4 HD2 LYS 4 21.765 -10.070 0.596 308 HE2 LYS 4 HE3 LYS 4 20.810 -12.226 0.015 309 HE3 LYS 4 HE2 LYS 4 19.535 -11.068 0.378 310 HZ1 LYS 4 HZ1 LYS 4 19.183 -10.758 -1.985 311 HZ2 LYS 4 HZ2 LYS 4 19.024 -12.390 -1.583 312 HZ3 LYS 4 HZ3 LYS 4 20.427 -11.839 -2.345 313 H GLN 5 H GLN 5 19.017 -6.125 2.204 314 HA GLN 5 HA GLN 5 16.470 -6.958 3.081 315 HB2 GLN 5 HB3 GLN 5 18.337 -4.836 4.136 316 HB3 GLN 5 HB2 GLN 5 16.853 -5.317 4.946 317 HG2 GLN 5 HG3 GLN 5 17.713 -7.612 5.121 318 HG3 GLN 5 HG2 GLN 5 19.217 -7.087 4.363 319 HE21 GLN 5 HE21 GLN 5 20.428 -7.658 6.162 320 HE22 GLN 5 HE22 GLN 5 20.398 -6.734 7.623 321 H LEU 6 H LEU 6 17.624 -3.960 1.627 322 HA LEU 6 HA LEU 6 15.205 -2.523 1.989 323 HB2 LEU 6 HB3 LEU 6 17.670 -2.164 0.378 324 HB3 LEU 6 HB2 LEU 6 16.245 -1.298 -0.155 325 HG LEU 6 HG LEU 6 17.663 0.101 1.260 326 HD11 LEU 6 HD11 LEU 6 15.231 0.446 1.256 327 HD12 LEU 6 HD12 LEU 6 15.967 0.881 2.797 328 HD13 LEU 6 HD13 LEU 6 15.087 -0.638 2.639 329 HD21 LEU 6 HD21 LEU 6 18.669 -1.637 2.637 330 HD22 LEU 6 HD22 LEU 6 17.114 -1.938 3.410 331 HD23 LEU 6 HD23 LEU 6 17.926 -0.391 3.638 332 H GLU 7 H GLU 7 16.480 -4.473 -0.683 333 HA GLU 7 HA GLU 7 14.366 -4.077 -2.470 334 HB2 GLU 7 HB3 GLU 7 16.640 -5.186 -2.872 335 HB3 GLU 7 HB2 GLU 7 15.917 -6.646 -2.211 336 HG2 GLU 7 HG3 GLU 7 14.207 -6.589 -3.950 337 HG3 GLU 7 HG2 GLU 7 14.938 -5.124 -4.601 338 H ASP 8 H ASP 8 14.772 -6.308 0.218 339 HA ASP 8 HA ASP 8 12.324 -7.722 -0.315 340 HB2 ASP 8 HB3 ASP 8 14.307 -7.735 1.934 341 HB3 ASP 8 HB2 ASP 8 12.735 -8.498 2.148 342 H LYS 9 H LYS 9 13.282 -4.943 1.558 343 HA LYS 9 HA LYS 9 10.950 -4.828 3.183 344 HB2 LYS 9 HB3 LYS 9 13.134 -3.694 3.701 345 HB3 LYS 9 HB2 LYS 9 12.770 -2.536 2.429 346 HG2 LYS 9 HG3 LYS 9 10.712 -1.909 3.646 347 HG3 LYS 9 HG2 LYS 9 11.186 -3.001 4.946 348 HD2 LYS 9 HD3 LYS 9 13.221 -1.714 5.313 349 HD3 LYS 9 HD2 LYS 9 12.797 -0.638 3.979 350 HE2 LYS 9 HE3 LYS 9 10.816 0.097 5.167 351 HE3 LYS 9 HE2 LYS 9 11.152 -1.035 6.475 352 HZ1 LYS 9 HZ1 LYS 9 12.865 1.258 5.691 353 HZ2 LYS 9 HZ2 LYS 9 13.191 0.173 6.944 354 HZ3 LYS 9 HZ3 LYS 9 11.853 1.199 7.044 355 H VAL 10 H VAL 10 11.911 -3.211 0.164 356 HA VAL 10 HA VAL 10 9.546 -1.682 -0.088 357 HB VAL 10 HB VAL 10 11.587 -1.140 -1.340 358 HG11 VAL 10 HG11 VAL 10 10.963 -3.584 -2.983 359 HG12 VAL 10 HG12 VAL 10 12.332 -3.391 -1.890 360 HG13 VAL 10 HG13 VAL 10 12.212 -2.390 -3.338 361 HG21 VAL 10 HG21 VAL 10 9.161 -1.694 -3.029 362 HG22 VAL 10 HG22 VAL 10 10.516 -0.687 -3.527 363 HG23 VAL 10 HG23 VAL 10 9.532 -0.216 -2.142 364 H GLU 11 H GLU 11 10.368 -4.964 -1.023 365 HA GLU 11 HA GLU 11 7.954 -5.422 -2.505 366 HB2 GLU 11 HB3 GLU 11 10.244 -6.739 -2.495 367 HB3 GLU 11 HB2 GLU 11 9.506 -7.623 -1.169 368 HG2 GLU 11 HG3 GLU 11 8.287 -7.348 -3.907 369 HG3 GLU 11 HG2 GLU 11 9.276 -8.707 -3.390 370 H GLU 12 H GLU 12 9.053 -5.945 0.819 371 HA GLU 12 HA GLU 12 6.813 -7.182 1.891 372 HB2 GLU 12 HB3 GLU 12 9.039 -6.624 3.012 373 HB3 GLU 12 HB2 GLU 12 8.378 -5.026 3.310 374 HG2 GLU 12 HG3 GLU 12 7.002 -7.519 4.252 375 HG3 GLU 12 HG2 GLU 12 8.263 -6.729 5.193 376 H LEU 13 H LEU 13 7.393 -3.666 1.469 377 HA LEU 13 HA LEU 13 4.754 -3.016 2.316 378 HB2 LEU 13 HB3 LEU 13 6.871 -1.413 0.932 379 HB3 LEU 13 HB2 LEU 13 5.235 -0.802 1.060 380 HG LEU 13 HG LEU 13 5.437 -1.261 3.568 381 HD11 LEU 13 HD11 LEU 13 7.711 -1.154 4.467 382 HD12 LEU 13 HD12 LEU 13 8.360 -1.266 2.830 383 HD13 LEU 13 HD13 LEU 13 7.450 -2.614 3.513 384 HD21 LEU 13 HD21 LEU 13 6.518 0.915 3.932 385 HD22 LEU 13 HD22 LEU 13 5.353 0.966 2.609 386 HD23 LEU 13 HD23 LEU 13 7.081 0.906 2.262 387 H LEU 14 H LEU 14 5.856 -4.348 -0.607 388 HA LEU 14 HA LEU 14 3.705 -3.312 -2.199 389 HB2 LEU 14 HB3 LEU 14 5.965 -4.296 -3.012 390 HB3 LEU 14 HB2 LEU 14 5.204 -5.856 -2.772 391 HG LEU 14 HG LEU 14 3.334 -4.608 -4.303 392 HD11 LEU 14 HD11 LEU 14 4.677 -3.607 -6.188 393 HD12 LEU 14 HD12 LEU 14 6.028 -3.516 -5.053 394 HD13 LEU 14 HD13 LEU 14 4.539 -2.625 -4.733 395 HD21 LEU 14 HD21 LEU 14 4.230 -5.911 -6.160 396 HD22 LEU 14 HD22 LEU 14 4.218 -6.841 -4.663 397 HD23 LEU 14 HD23 LEU 14 5.729 -6.160 -5.266 398 H SER 15 H SER 15 4.365 -6.201 -0.287 399 HA SER 15 HA SER 15 1.793 -7.341 -0.766 400 HB2 SER 15 HB3 SER 15 2.453 -8.654 1.405 401 HB3 SER 15 HB2 SER 15 3.318 -8.956 -0.099 402 HG SER 15 HG SER 15 4.136 -7.426 2.136 403 H LYS 16 H LYS 16 3.149 -5.077 1.580 404 HA LYS 16 HA LYS 16 0.960 -4.745 3.259 405 HB2 LYS 16 HB3 LYS 16 3.069 -3.563 3.586 406 HB3 LYS 16 HB2 LYS 16 2.825 -2.665 2.098 407 HG2 LYS 16 HG3 LYS 16 0.862 -1.574 3.105 408 HG3 LYS 16 HG2 LYS 16 1.186 -2.435 4.612 409 HD2 LYS 16 HD3 LYS 16 3.287 -1.322 4.876 410 HD3 LYS 16 HD2 LYS 16 3.184 -0.624 3.260 411 HE2 LYS 16 HE3 LYS 16 2.660 1.059 4.931 412 HE3 LYS 16 HE2 LYS 16 1.231 0.685 3.967 413 HZ1 LYS 16 HZ1 LYS 16 0.390 -0.680 5.740 414 HZ2 LYS 16 HZ2 LYS 16 0.756 0.854 6.348 415 HZ3 LYS 16 HZ3 LYS 16 1.794 -0.442 6.654 416 H ASN 17 H ASN 17 1.578 -3.246 0.082 417 HA ASN 17 HA ASN 17 -0.881 -1.938 -0.203 418 HB2 ASN 17 HB3 ASN 17 1.150 -2.967 -2.154 419 HB3 ASN 17 HB2 ASN 17 -0.394 -2.365 -2.743 420 HD21 ASN 17 HD21 ASN 17 2.656 -1.550 -1.343 421 HD22 ASN 17 HD22 ASN 17 2.481 0.167 -1.472 422 H TYR 18 H TYR 18 0.121 -5.199 -1.171 423 HA TYR 18 HA TYR 18 -2.192 -5.975 -2.490 424 HB2 TYR 18 HB3 TYR 18 -0.120 -7.291 -2.510 425 HB3 TYR 18 HB2 TYR 18 -0.362 -7.706 -0.816 426 HD1 TYR 18 HD1 TYR 18 -1.616 -9.602 -0.232 427 HD2 TYR 18 HD2 TYR 18 -1.910 -8.045 -4.181 428 HE1 TYR 18 HE1 TYR 18 -2.948 -11.560 -0.902 429 HE2 TYR 18 HE2 TYR 18 -3.239 -10.000 -4.858 430 HH TYR 18 HH TYR 18 -3.582 -12.346 -4.128 431 H HIS 19 H HIS 19 -1.464 -6.132 0.985 432 HA HIS 19 HA HIS 19 -3.847 -7.490 1.725 433 HB2 HIS 19 HB3 HIS 19 -2.141 -5.610 3.375 434 HB3 HIS 19 HB2 HIS 19 -3.370 -6.694 4.013 435 HD1 HIS 19 HD1 HIS 19 -0.242 -6.715 4.687 436 HD2 HIS 19 HD2 HIS 19 -2.258 -9.318 2.149 437 HE1 HIS 19 HE1 HIS 19 1.165 -8.797 4.595 438 HE2 HIS 19 HE2 HIS 19 -0.019 -10.319 2.977 439 H LEU 20 H LEU 20 -2.969 -4.097 1.488 440 HA LEU 20 HA LEU 20 -5.393 -3.052 2.493 441 HB2 LEU 20 HB3 LEU 20 -3.225 -1.869 2.446 442 HB3 LEU 20 HB2 LEU 20 -3.303 -1.817 0.698 443 HG LEU 20 HG LEU 20 -5.321 -0.421 0.855 444 HD11 LEU 20 HD11 LEU 20 -5.886 0.610 3.018 445 HD12 LEU 20 HD12 LEU 20 -4.729 -0.459 3.810 446 HD13 LEU 20 HD13 LEU 20 -6.152 -1.133 3.019 447 HD21 LEU 20 HD21 LEU 20 -3.108 0.579 0.599 448 HD22 LEU 20 HD22 LEU 20 -2.927 0.630 2.351 449 HD23 LEU 20 HD23 LEU 20 -4.163 1.608 1.564 450 H GLU 21 H GLU 21 -4.213 -3.949 -0.686 451 HA GLU 21 HA GLU 21 -6.331 -2.912 -2.233 452 HB2 GLU 21 HB3 GLU 21 -4.178 -3.709 -3.164 453 HB3 GLU 21 HB2 GLU 21 -4.626 -5.358 -2.752 454 HG2 GLU 21 HG3 GLU 21 -6.545 -5.195 -4.277 455 HG3 GLU 21 HG2 GLU 21 -6.036 -3.566 -4.717 456 H ASN 22 H ASN 22 -5.916 -5.947 -0.490 457 HA ASN 22 HA ASN 22 -8.246 -7.243 -1.356 458 HB2 ASN 22 HB3 ASN 22 -6.754 -7.414 1.260 459 HB3 ASN 22 HB2 ASN 22 -8.134 -8.438 0.876 460 HD21 ASN 22 HD21 ASN 22 -5.430 -9.226 1.431 461 HD22 ASN 22 HD22 ASN 22 -4.861 -10.068 0.032 462 H GLU 23 H GLU 23 -7.703 -4.703 0.946 463 HA GLU 23 HA GLU 23 -10.280 -4.839 2.183 464 HB2 GLU 23 HB3 GLU 23 -8.268 -2.577 2.138 465 HB3 GLU 23 HB2 GLU 23 -9.679 -2.693 3.213 466 HG2 GLU 23 HG3 GLU 23 -7.299 -4.546 3.165 467 HG3 GLU 23 HG2 GLU 23 -7.648 -3.316 4.377 468 H VAL 24 H VAL 24 -8.868 -3.050 -0.503 469 HA VAL 24 HA VAL 24 -11.095 -1.342 -0.932 470 HB VAL 24 HB VAL 24 -9.174 -2.293 -3.065 471 HG11 VAL 24 HG11 VAL 24 -11.142 -1.104 -3.889 472 HG12 VAL 24 HG12 VAL 24 -9.675 -0.156 -4.130 473 HG13 VAL 24 HG13 VAL 24 -10.782 0.252 -2.817 474 HG21 VAL 24 HG21 VAL 24 -8.846 0.067 -1.223 475 HG22 VAL 24 HG22 VAL 24 -7.775 -0.382 -2.548 476 HG23 VAL 24 HG23 VAL 24 -7.919 -1.431 -1.138 477 H ALA 25 H ALA 25 -10.195 -4.545 -2.046 478 HA ALA 25 HA ALA 25 -12.159 -4.779 -4.065 479 HB1 ALA 25 HB1 ALA 25 -10.104 -6.170 -3.898 480 HB2 ALA 25 HB2 ALA 25 -11.582 -7.087 -4.179 481 HB3 ALA 25 HB3 ALA 25 -10.868 -7.044 -2.570 482 H ARG 26 H ARG 26 -12.180 -5.716 -0.628 483 HA ARG 26 HA ARG 26 -14.603 -7.138 -0.746 484 HB2 ARG 26 HB3 ARG 26 -14.708 -6.623 1.742 485 HB3 ARG 26 HB2 ARG 26 -13.340 -7.558 1.176 486 HG2 ARG 26 HG3 ARG 26 -11.909 -5.642 1.346 487 HG3 ARG 26 HG2 ARG 26 -13.271 -4.593 1.733 488 HD2 ARG 26 HD2 ARG 26 -12.079 -5.125 3.748 489 HD3 ARG 26 HD1 ARG 26 -13.657 -5.902 3.782 490 HE ARG 26 HE ARG 26 -11.747 -7.699 2.749 491 HH11 ARG 26 HH11 ARG 26 -12.690 -6.164 5.752 492 HH12 ARG 26 HH12 ARG 26 -12.088 -7.451 6.746 493 HH21 ARG 26 HH21 ARG 26 -10.948 -9.394 4.064 494 HH22 ARG 26 HH22 ARG 26 -11.096 -9.284 5.790 495 H LEU 27 H LEU 27 -13.891 -3.752 -0.079 496 HA LEU 27 HA LEU 27 -16.592 -3.043 0.459 497 HB2 LEU 27 HB3 LEU 27 -14.285 -1.312 -0.397 498 HB3 LEU 27 HB2 LEU 27 -15.816 -0.754 0.237 499 HG LEU 27 HG LEU 27 -14.097 -2.568 1.849 500 HD11 LEU 27 HD11 LEU 27 -13.966 0.428 1.803 501 HD12 LEU 27 HD12 LEU 27 -12.740 -0.656 1.145 502 HD13 LEU 27 HD13 LEU 27 -13.076 -0.651 2.879 503 HD21 LEU 27 HD21 LEU 27 -15.283 -1.348 3.680 504 HD22 LEU 27 HD22 LEU 27 -16.332 -2.317 2.644 505 HD23 LEU 27 HD23 LEU 27 -16.259 -0.564 2.435 506 H LYS 28 H LYS 28 -14.558 -2.851 -2.432 507 HA LYS 28 HA LYS 28 -16.179 -1.457 -4.139 508 HB2 LYS 28 HB3 LYS 28 -13.903 -2.310 -4.663 509 HB3 LYS 28 HB2 LYS 28 -14.586 -3.915 -4.875 510 HG2 LYS 28 HG3 LYS 28 -14.253 -2.891 -7.023 511 HG3 LYS 28 HG2 LYS 28 -15.982 -3.049 -6.712 512 HD2 LYS 28 HD3 LYS 28 -16.077 -0.695 -6.041 513 HD3 LYS 28 HD2 LYS 28 -14.346 -0.537 -6.347 514 HE2 LYS 28 HE3 LYS 28 -14.710 -1.081 -8.700 515 HE3 LYS 28 HE2 LYS 28 -16.437 -1.260 -8.396 516 HZ1 LYS 28 HZ1 LYS 28 -14.888 1.247 -8.033 517 HZ2 LYS 28 HZ2 LYS 28 -16.552 1.065 -7.803 518 HZ3 LYS 28 HZ3 LYS 28 -15.890 0.899 -9.349 519 H LYS 29 H LYS 29 -16.368 -4.948 -3.457 520 HA LYS 29 HA LYS 29 -18.586 -5.304 -5.225 521 HB2 LYS 29 HB3 LYS 29 -18.659 -7.580 -4.289 522 HB3 LYS 29 HB2 LYS 29 -17.069 -7.135 -4.881 523 HG2 LYS 29 HG3 LYS 29 -16.342 -6.698 -2.590 524 HG3 LYS 29 HG2 LYS 29 -17.943 -7.147 -2.000 525 HD2 LYS 29 HD3 LYS 29 -16.424 -9.007 -1.731 526 HD3 LYS 29 HD2 LYS 29 -17.630 -9.399 -2.957 527 HE2 LYS 29 HE3 LYS 29 -16.019 -8.831 -4.713 528 HE3 LYS 29 HE2 LYS 29 -14.815 -8.453 -3.483 529 HZ1 LYS 29 HZ1 LYS 29 -14.896 -10.746 -2.744 530 HZ2 LYS 29 HZ2 LYS 29 -14.515 -10.675 -4.390 531 HZ3 LYS 29 HZ3 LYS 29 -16.073 -11.109 -3.905 532 H LEU 30 H LEU 30 -18.226 -4.471 -1.879 533 HA LEU 30 HA LEU 30 -20.909 -5.152 -1.128 534 HB2 LEU 30 HB3 LEU 30 -18.601 -3.846 0.157 535 HB3 LEU 30 HB2 LEU 30 -20.173 -3.319 0.725 536 HG LEU 30 HG LEU 30 -20.754 -5.583 1.369 537 HD11 LEU 30 HD11 LEU 30 -19.597 -6.806 -0.389 538 HD12 LEU 30 HD12 LEU 30 -19.160 -7.420 1.204 539 HD13 LEU 30 HD13 LEU 30 -18.044 -6.377 0.323 540 HD21 LEU 30 HD21 LEU 30 -18.021 -4.770 2.340 541 HD22 LEU 30 HD22 LEU 30 -19.079 -5.937 3.131 542 HD23 LEU 30 HD23 LEU 30 -19.571 -4.249 3.001 543 H VAL 31 H VAL 31 -19.280 -2.266 -2.321 544 HA VAL 31 HA VAL 31 -21.608 -0.604 -2.081 545 HB VAL 31 HB VAL 31 -19.189 -0.167 -3.858 546 HG11 VAL 31 HG11 VAL 31 -21.171 1.176 -4.446 547 HG12 VAL 31 HG12 VAL 31 -19.832 2.157 -3.856 548 HG13 VAL 31 HG13 VAL 31 -21.202 1.811 -2.800 549 HG21 VAL 31 HG21 VAL 31 -19.712 0.787 -1.048 550 HG22 VAL 31 HG22 VAL 31 -18.353 1.271 -2.062 551 HG23 VAL 31 HG23 VAL 31 -18.508 -0.405 -1.538 552 H GLY 32 H GLY 32 -20.337 -2.821 -4.439 553 HA2 GLY 32 HA3 GLY 32 -22.039 -1.900 -6.583 554 HA3 GLY 32 HA2 GLY 32 -21.002 -3.318 -6.605 555 H GLU 33 H GLU 33 -21.848 -4.813 -4.571 556 HA GLU 33 HA GLU 33 -23.402 -6.272 -3.834 557 HB2 GLU 33 HB3 GLU 33 -24.656 -4.211 -3.211 558 HB3 GLU 33 HB2 GLU 33 -25.460 -4.269 -4.773 559 HG2 GLU 33 HG3 GLU 33 -26.510 -6.354 -4.216 560 HG3 GLU 33 HG2 GLU 33 -25.610 -6.442 -2.701 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 25.156 0.799 -4.571 2 H2 GLY 1 H2 GLY 1 24.799 1.203 -2.973 3 H3 GLY 1 H3 GLY 1 26.349 1.476 -3.585 4 HA2 GLY 1 HA2 GLY 1 25.143 3.547 -3.463 5 HA3 GLY 1 HA3 GLY 1 25.482 3.113 -5.134 6 H SER 2 H SER 2 23.634 4.766 -5.259 7 HA SER 2 HA SER 2 21.501 5.147 -6.019 8 HB2 SER 2 HB3 SER 2 21.783 3.090 -7.341 9 HB3 SER 2 HB2 SER 2 21.277 2.121 -5.960 10 HG SER 2 HG SER 2 19.248 3.194 -6.075 11 H MET 3 H MET 3 22.212 5.106 -3.252 12 HA MET 3 HA MET 3 20.357 3.729 -1.645 13 HB2 MET 3 HB3 MET 3 22.551 4.701 -0.905 14 HB3 MET 3 HB2 MET 3 21.802 6.290 -0.961 15 HG2 MET 3 HG3 MET 3 21.835 5.437 1.305 16 HG3 MET 3 HG2 MET 3 20.180 5.601 0.720 17 HE1 MET 3 HE1 MET 3 19.987 2.467 3.081 18 HE2 MET 3 HE2 MET 3 19.337 4.070 2.736 19 HE3 MET 3 HE3 MET 3 20.997 3.894 3.306 20 H LYS 4 H LYS 4 20.385 7.037 -2.928 21 HA LYS 4 HA LYS 4 18.081 7.916 -1.562 22 HB2 LYS 4 HB3 LYS 4 19.709 9.451 -2.609 23 HB3 LYS 4 HB2 LYS 4 19.192 8.904 -4.195 24 HG2 LYS 4 HG3 LYS 4 16.941 9.765 -3.753 25 HG3 LYS 4 HG2 LYS 4 17.486 10.344 -2.178 26 HD2 LYS 4 HD3 LYS 4 18.619 11.215 -4.835 27 HD3 LYS 4 HD2 LYS 4 17.438 12.122 -3.891 28 HE2 LYS 4 HE3 LYS 4 19.059 12.236 -2.033 29 HE3 LYS 4 HE2 LYS 4 20.240 11.402 -3.040 30 HZ1 LYS 4 HZ1 LYS 4 20.591 13.780 -3.085 31 HZ2 LYS 4 HZ2 LYS 4 19.014 14.039 -3.629 32 HZ3 LYS 4 HZ3 LYS 4 20.127 13.235 -4.615 33 H GLN 5 H GLN 5 18.558 6.317 -4.661 34 HA GLN 5 HA GLN 5 15.942 6.529 -5.647 35 HB2 GLN 5 HB3 GLN 5 18.035 4.397 -6.052 36 HB3 GLN 5 HB2 GLN 5 16.507 4.421 -6.916 37 HG2 GLN 5 HG3 GLN 5 18.607 6.574 -7.006 38 HG3 GLN 5 HG2 GLN 5 18.324 5.354 -8.245 39 HE21 GLN 5 HE21 GLN 5 17.216 8.294 -6.820 40 HE22 GLN 5 HE22 GLN 5 16.004 8.654 -7.995 41 H LEU 6 H LEU 6 17.438 4.058 -3.579 42 HA LEU 6 HA LEU 6 15.088 2.470 -3.385 43 HB2 LEU 6 HB3 LEU 6 17.698 2.561 -1.941 44 HB3 LEU 6 HB2 LEU 6 16.377 1.662 -1.220 45 HG LEU 6 HG LEU 6 16.222 0.284 -3.272 46 HD11 LEU 6 HD11 LEU 6 18.689 1.794 -4.120 47 HD12 LEU 6 HD12 LEU 6 17.105 1.859 -4.893 48 HD13 LEU 6 HD13 LEU 6 18.036 0.361 -4.914 49 HD21 LEU 6 HD21 LEU 6 18.943 0.366 -1.981 50 HD22 LEU 6 HD22 LEU 6 18.285 -0.985 -2.903 51 HD23 LEU 6 HD23 LEU 6 17.527 -0.501 -1.386 52 H GLU 7 H GLU 7 16.400 5.131 -1.497 53 HA GLU 7 HA GLU 7 14.563 4.953 0.649 54 HB2 GLU 7 HB3 GLU 7 16.082 7.333 -0.428 55 HB3 GLU 7 HB2 GLU 7 15.174 7.334 1.077 56 HG2 GLU 7 HG3 GLU 7 17.563 5.617 0.439 57 HG3 GLU 7 HG2 GLU 7 17.539 7.031 1.492 58 H ASP 8 H ASP 8 14.473 6.657 -2.449 59 HA ASP 8 HA ASP 8 11.932 7.877 -1.945 60 HB2 ASP 8 HB3 ASP 8 13.572 7.473 -4.435 61 HB3 ASP 8 HB2 ASP 8 11.946 8.145 -4.509 62 H LYS 9 H LYS 9 13.026 4.872 -3.315 63 HA LYS 9 HA LYS 9 10.655 4.042 -4.557 64 HB2 LYS 9 HB3 LYS 9 12.850 2.951 -4.875 65 HB3 LYS 9 HB2 LYS 9 12.770 2.332 -3.231 66 HG2 LYS 9 HG3 LYS 9 10.752 1.062 -3.831 67 HG3 LYS 9 HG2 LYS 9 10.904 1.639 -5.489 68 HD2 LYS 9 HD3 LYS 9 12.984 0.020 -4.018 69 HD3 LYS 9 HD2 LYS 9 11.825 -0.633 -5.177 70 HE2 LYS 9 HE3 LYS 9 13.912 1.464 -5.773 71 HE3 LYS 9 HE2 LYS 9 14.032 -0.245 -6.184 72 HZ1 LYS 9 HZ1 LYS 9 13.306 1.055 -8.073 73 HZ2 LYS 9 HZ2 LYS 9 11.981 1.642 -7.207 74 HZ3 LYS 9 HZ3 LYS 9 12.077 -0.002 -7.590 75 H VAL 10 H VAL 10 11.880 3.330 -1.277 76 HA VAL 10 HA VAL 10 9.608 1.840 -0.509 77 HB VAL 10 HB VAL 10 11.727 1.606 0.680 78 HG11 VAL 10 HG11 VAL 10 11.207 4.380 1.739 79 HG12 VAL 10 HG12 VAL 10 12.491 3.914 0.623 80 HG13 VAL 10 HG13 VAL 10 12.491 3.294 2.275 81 HG21 VAL 10 HG21 VAL 10 10.859 1.609 2.976 82 HG22 VAL 10 HG22 VAL 10 9.695 0.948 1.828 83 HG23 VAL 10 HG23 VAL 10 9.490 2.586 2.447 84 H GLU 11 H GLU 11 10.368 5.281 -0.279 85 HA GLU 11 HA GLU 11 8.099 5.974 1.289 86 HB2 GLU 11 HB3 GLU 11 9.779 7.619 -0.603 87 HB3 GLU 11 HB2 GLU 11 8.498 8.287 0.398 88 HG2 GLU 11 HG3 GLU 11 9.701 7.518 2.402 89 HG3 GLU 11 HG2 GLU 11 11.004 6.932 1.366 90 H GLU 12 H GLU 12 8.695 5.672 -2.161 91 HA GLU 12 HA GLU 12 6.271 6.702 -3.099 92 HB2 GLU 12 HB3 GLU 12 8.227 6.147 -4.521 93 HB3 GLU 12 HB2 GLU 12 7.873 4.439 -4.299 94 HG2 GLU 12 HG3 GLU 12 5.761 4.685 -5.427 95 HG3 GLU 12 HG2 GLU 12 6.001 6.427 -5.557 96 H LEU 13 H LEU 13 7.087 3.256 -2.426 97 HA LEU 13 HA LEU 13 4.407 2.406 -2.708 98 HB2 LEU 13 HB3 LEU 13 6.762 1.114 -1.361 99 HB3 LEU 13 HB2 LEU 13 5.163 0.399 -1.311 100 HG LEU 13 HG LEU 13 5.207 0.611 -3.872 101 HD11 LEU 13 HD11 LEU 13 7.177 2.010 -4.063 102 HD12 LEU 13 HD12 LEU 13 7.435 0.463 -4.870 103 HD13 LEU 13 HD13 LEU 13 8.157 0.764 -3.290 104 HD21 LEU 13 HD21 LEU 13 6.956 -1.368 -2.426 105 HD22 LEU 13 HD22 LEU 13 6.340 -1.560 -4.068 106 HD23 LEU 13 HD23 LEU 13 5.218 -1.504 -2.706 107 H LEU 14 H LEU 14 6.182 3.603 0.096 108 HA LEU 14 HA LEU 14 4.252 3.185 2.052 109 HB2 LEU 14 HB3 LEU 14 6.494 4.070 2.501 110 HB3 LEU 14 HB2 LEU 14 6.110 5.544 1.652 111 HG LEU 14 HG LEU 14 6.160 5.666 4.160 112 HD11 LEU 14 HD11 LEU 14 5.134 7.404 2.829 113 HD12 LEU 14 HD12 LEU 14 4.241 7.146 4.330 114 HD13 LEU 14 HD13 LEU 14 3.614 6.507 2.809 115 HD21 LEU 14 HD21 LEU 14 4.229 4.909 5.405 116 HD22 LEU 14 HD22 LEU 14 5.017 3.544 4.614 117 HD23 LEU 14 HD23 LEU 14 3.531 4.218 3.943 118 H SER 15 H SER 15 4.527 5.702 -0.395 119 HA SER 15 HA SER 15 2.156 7.076 0.307 120 HB2 SER 15 HB3 SER 15 3.498 6.929 -2.406 121 HB3 SER 15 HB2 SER 15 2.373 8.171 -1.854 122 HG SER 15 HG SER 15 4.770 7.643 -0.451 123 H LYS 16 H LYS 16 2.849 4.383 -1.920 124 HA LYS 16 HA LYS 16 0.325 4.270 -3.136 125 HB2 LYS 16 HB3 LYS 16 2.358 2.100 -2.636 126 HB3 LYS 16 HB2 LYS 16 0.903 1.863 -3.593 127 HG2 LYS 16 HG3 LYS 16 1.641 3.618 -5.138 128 HG3 LYS 16 HG2 LYS 16 3.112 3.823 -4.186 129 HD2 LYS 16 HD3 LYS 16 3.554 2.427 -6.126 130 HD3 LYS 16 HD2 LYS 16 3.715 1.485 -4.646 131 HE2 LYS 16 HE3 LYS 16 2.539 0.215 -6.354 132 HE3 LYS 16 HE2 LYS 16 1.477 0.557 -4.989 133 HZ1 LYS 16 HZ1 LYS 16 1.519 2.029 -7.570 134 HZ2 LYS 16 HZ2 LYS 16 0.505 2.374 -6.262 135 HZ3 LYS 16 HZ3 LYS 16 0.350 0.907 -7.087 136 H ASN 17 H ASN 17 1.530 2.356 -0.336 137 HA ASN 17 HA ASN 17 -1.029 1.159 0.038 138 HB2 ASN 17 HB3 ASN 17 -0.132 0.264 2.158 139 HB3 ASN 17 HB2 ASN 17 0.900 -0.069 0.782 140 HD21 ASN 17 HD21 ASN 17 0.732 2.948 2.657 141 HD22 ASN 17 HD22 ASN 17 2.349 2.855 3.239 142 H TYR 18 H TYR 18 0.289 4.159 0.949 143 HA TYR 18 HA TYR 18 -1.498 4.660 3.136 144 HB2 TYR 18 HB3 TYR 18 0.567 5.907 3.027 145 HB3 TYR 18 HB2 TYR 18 0.170 6.511 1.423 146 HD1 TYR 18 HD1 TYR 18 -1.180 6.529 4.909 147 HD2 TYR 18 HD2 TYR 18 -0.741 8.625 1.233 148 HE1 TYR 18 HE1 TYR 18 -2.226 8.511 5.917 149 HE2 TYR 18 HE2 TYR 18 -1.785 10.610 2.234 150 HH TYR 18 HH TYR 18 -2.356 10.876 5.619 151 H HIS 19 H HIS 19 -1.385 5.620 -0.288 152 HA HIS 19 HA HIS 19 -3.833 7.034 -0.267 153 HB2 HIS 19 HB3 HIS 19 -2.178 5.814 -2.459 154 HB3 HIS 19 HB2 HIS 19 -3.756 6.514 -2.810 155 HD1 HIS 19 HD1 HIS 19 -3.630 8.867 -3.521 156 HD2 HIS 19 HD2 HIS 19 -0.513 7.872 -0.962 157 HE1 HIS 19 HE1 HIS 19 -2.214 10.934 -3.346 158 HE2 HIS 19 HE2 HIS 19 -0.240 10.244 -1.942 159 H LEU 20 H LEU 20 -3.037 3.673 -1.053 160 HA LEU 20 HA LEU 20 -5.671 2.925 -1.760 161 HB2 LEU 20 HB3 LEU 20 -3.154 1.505 -1.129 162 HB3 LEU 20 HB2 LEU 20 -4.632 0.591 -0.923 163 HG LEU 20 HG LEU 20 -3.566 0.265 -3.144 164 HD11 LEU 20 HD11 LEU 20 -5.592 0.430 -4.419 165 HD12 LEU 20 HD12 LEU 20 -6.251 1.622 -3.300 166 HD13 LEU 20 HD13 LEU 20 -5.997 -0.039 -2.769 167 HD21 LEU 20 HD21 LEU 20 -3.734 2.050 -4.800 168 HD22 LEU 20 HD22 LEU 20 -2.680 2.512 -3.463 169 HD23 LEU 20 HD23 LEU 20 -4.321 3.152 -3.557 170 H GLU 21 H GLU 21 -3.963 3.045 1.319 171 HA GLU 21 HA GLU 21 -5.910 1.767 2.894 172 HB2 GLU 21 HB3 GLU 21 -3.638 2.358 3.697 173 HB3 GLU 21 HB2 GLU 21 -4.092 4.056 3.677 174 HG2 GLU 21 HG3 GLU 21 -5.837 3.579 5.343 175 HG3 GLU 21 HG2 GLU 21 -5.296 1.902 5.396 176 H ASN 22 H ASN 22 -5.532 5.106 1.836 177 HA ASN 22 HA ASN 22 -7.767 6.173 3.184 178 HB2 ASN 22 HB3 ASN 22 -6.405 7.082 0.640 179 HB3 ASN 22 HB2 ASN 22 -7.642 8.005 1.482 180 HD21 ASN 22 HD21 ASN 22 -4.951 8.790 0.911 181 HD22 ASN 22 HD22 ASN 22 -4.185 9.089 2.431 182 H GLU 23 H GLU 23 -7.422 4.353 0.251 183 HA GLU 23 HA GLU 23 -9.940 5.060 -0.885 184 HB2 GLU 23 HB3 GLU 23 -8.171 2.669 -1.438 185 HB3 GLU 23 HB2 GLU 23 -9.557 3.178 -2.425 186 HG2 GLU 23 HG3 GLU 23 -6.996 4.708 -1.982 187 HG3 GLU 23 HG2 GLU 23 -7.481 3.862 -3.449 188 H VAL 24 H VAL 24 -8.802 2.416 1.179 189 HA VAL 24 HA VAL 24 -11.253 0.961 1.056 190 HB VAL 24 HB VAL 24 -9.209 0.787 3.288 191 HG11 VAL 24 HG11 VAL 24 -11.376 -0.357 3.665 192 HG12 VAL 24 HG12 VAL 24 -10.026 -1.484 3.548 193 HG13 VAL 24 HG13 VAL 24 -11.127 -1.284 2.183 194 HG21 VAL 24 HG21 VAL 24 -8.075 0.567 1.147 195 HG22 VAL 24 HG22 VAL 24 -9.240 -0.658 0.644 196 HG23 VAL 24 HG23 VAL 24 -8.143 -0.983 1.985 197 H ALA 25 H ALA 25 -10.121 3.665 2.918 198 HA ALA 25 HA ALA 25 -12.327 3.590 4.780 199 HB1 ALA 25 HB1 ALA 25 -11.557 5.764 5.509 200 HB2 ALA 25 HB2 ALA 25 -10.497 5.891 4.110 201 HB3 ALA 25 HB3 ALA 25 -10.179 4.675 5.347 202 H ARG 26 H ARG 26 -11.590 4.991 1.694 203 HA ARG 26 HA ARG 26 -13.715 6.807 1.448 204 HB2 ARG 26 HB3 ARG 26 -12.043 7.122 -0.112 205 HB3 ARG 26 HB2 ARG 26 -11.846 5.405 -0.409 206 HG2 ARG 26 HG3 ARG 26 -12.711 6.573 -2.354 207 HG3 ARG 26 HG2 ARG 26 -13.859 5.379 -1.754 208 HD2 ARG 26 HD2 ARG 26 -15.112 7.181 -0.637 209 HD3 ARG 26 HD1 ARG 26 -13.959 8.361 -1.262 210 HE ARG 26 HE ARG 26 -14.943 6.940 -3.438 211 HH11 ARG 26 HH11 ARG 26 -16.185 9.094 -0.980 212 HH12 ARG 26 HH12 ARG 26 -17.455 9.716 -1.983 213 HH21 ARG 26 HH21 ARG 26 -16.607 7.757 -4.772 214 HH22 ARG 26 HH22 ARG 26 -17.691 8.958 -4.151 215 H LEU 27 H LEU 27 -13.434 3.475 0.138 216 HA LEU 27 HA LEU 27 -16.125 3.380 -0.715 217 HB2 LEU 27 HB3 LEU 27 -14.089 1.241 -0.195 218 HB3 LEU 27 HB2 LEU 27 -15.745 0.832 -0.581 219 HG LEU 27 HG LEU 27 -15.527 2.113 -2.699 220 HD11 LEU 27 HD11 LEU 27 -12.633 2.256 -1.902 221 HD12 LEU 27 HD12 LEU 27 -13.733 3.606 -2.160 222 HD13 LEU 27 HD13 LEU 27 -13.251 2.595 -3.518 223 HD21 LEU 27 HD21 LEU 27 -13.586 -0.140 -2.295 224 HD22 LEU 27 HD22 LEU 27 -14.204 0.421 -3.848 225 HD23 LEU 27 HD23 LEU 27 -15.304 -0.288 -2.667 226 H LYS 28 H LYS 28 -14.642 2.740 2.374 227 HA LYS 28 HA LYS 28 -16.644 1.256 3.601 228 HB2 LYS 28 HB3 LYS 28 -14.392 1.855 4.561 229 HB3 LYS 28 HB2 LYS 28 -15.042 3.445 4.931 230 HG2 LYS 28 HG3 LYS 28 -15.092 2.037 6.893 231 HG3 LYS 28 HG2 LYS 28 -16.736 2.410 6.369 232 HD2 LYS 28 HD3 LYS 28 -16.893 0.229 5.282 233 HD3 LYS 28 HD2 LYS 28 -15.238 -0.143 5.768 234 HE2 LYS 28 HE3 LYS 28 -17.541 0.396 7.637 235 HE3 LYS 28 HE2 LYS 28 -16.901 -1.195 7.237 236 HZ1 LYS 28 HZ1 LYS 28 -16.037 -0.386 9.340 237 HZ2 LYS 28 HZ2 LYS 28 -15.393 0.980 8.585 238 HZ3 LYS 28 HZ3 LYS 28 -14.790 -0.555 8.213 239 H LYS 29 H LYS 29 -16.408 4.739 3.075 240 HA LYS 29 HA LYS 29 -18.771 5.397 4.505 241 HB2 LYS 29 HB3 LYS 29 -17.254 6.886 2.359 242 HB3 LYS 29 HB2 LYS 29 -18.559 7.562 3.316 243 HG2 LYS 29 HG3 LYS 29 -15.978 6.513 4.448 244 HG3 LYS 29 HG2 LYS 29 -16.311 8.210 4.108 245 HD2 LYS 29 HD3 LYS 29 -17.866 6.470 6.024 246 HD3 LYS 29 HD2 LYS 29 -16.641 7.654 6.480 247 HE2 LYS 29 HE3 LYS 29 -19.255 8.221 5.085 248 HE3 LYS 29 HE2 LYS 29 -18.863 8.587 6.764 249 HZ1 LYS 29 HZ1 LYS 29 -18.643 10.548 5.412 250 HZ2 LYS 29 HZ2 LYS 29 -17.572 9.769 4.365 251 HZ3 LYS 29 HZ3 LYS 29 -17.116 10.082 5.963 252 H LEU 30 H LEU 30 -18.038 4.493 1.201 253 HA LEU 30 HA LEU 30 -20.554 5.190 0.085 254 HB2 LEU 30 HB3 LEU 30 -18.522 3.155 -0.832 255 HB3 LEU 30 HB2 LEU 30 -19.888 3.709 -1.781 256 HG LEU 30 HG LEU 30 -17.569 5.416 -0.871 257 HD11 LEU 30 HD11 LEU 30 -16.964 3.833 -2.623 258 HD12 LEU 30 HD12 LEU 30 -16.996 5.484 -3.242 259 HD13 LEU 30 HD13 LEU 30 -18.326 4.382 -3.599 260 HD21 LEU 30 HD21 LEU 30 -18.562 7.135 -2.312 261 HD22 LEU 30 HD22 LEU 30 -19.631 6.703 -0.979 262 HD23 LEU 30 HD23 LEU 30 -19.950 6.085 -2.599 263 H VAL 31 H VAL 31 -19.358 2.413 1.807 264 HA VAL 31 HA VAL 31 -21.616 0.741 1.201 265 HB VAL 31 HB VAL 31 -19.568 0.449 3.420 266 HG11 VAL 31 HG11 VAL 31 -20.240 -1.897 3.461 267 HG12 VAL 31 HG12 VAL 31 -21.459 -1.579 2.227 268 HG13 VAL 31 HG13 VAL 31 -21.604 -0.841 3.823 269 HG21 VAL 31 HG21 VAL 31 -18.466 -1.157 1.935 270 HG22 VAL 31 HG22 VAL 31 -18.501 0.461 1.233 271 HG23 VAL 31 HG23 VAL 31 -19.625 -0.772 0.663 272 H GLY 32 H GLY 32 -20.841 3.188 3.510 273 HA2 GLY 32 HA3 GLY 32 -22.986 2.414 5.324 274 HA3 GLY 32 HA2 GLY 32 -21.849 3.734 5.557 275 H GLU 33 H GLU 33 -22.119 5.330 3.454 276 HA GLU 33 HA GLU 33 -24.920 5.844 2.933 277 HB2 GLU 33 HB3 GLU 33 -24.590 6.853 5.158 278 HB3 GLU 33 HB2 GLU 33 -23.260 7.811 4.524 279 HG2 GLU 33 HG3 GLU 33 -24.795 8.967 3.026 280 HG3 GLU 33 HG2 GLU 33 -26.132 7.997 3.642 281 H1 GLY 1 H1 GLY 1 25.164 -0.983 3.891 282 H2 GLY 1 H2 GLY 1 24.798 -1.380 2.292 283 H3 GLY 1 H3 GLY 1 26.351 -1.665 2.895 284 HA2 GLY 1 HA2 GLY 1 25.130 -3.725 2.773 285 HA3 GLY 1 HA3 GLY 1 25.481 -3.301 4.442 286 H SER 2 H SER 2 23.635 -4.949 4.571 287 HA SER 2 HA SER 2 21.504 -5.344 5.327 288 HB2 SER 2 HB3 SER 2 21.790 -3.297 6.664 289 HB3 SER 2 HB2 SER 2 21.273 -2.319 5.294 290 HG SER 2 HG SER 2 19.247 -3.390 5.410 291 H MET 3 H MET 3 22.197 -5.293 2.562 292 HA MET 3 HA MET 3 20.340 -3.902 0.969 293 HB2 MET 3 HB3 MET 3 22.528 -4.874 0.216 294 HB3 MET 3 HB2 MET 3 21.778 -6.463 0.271 295 HG2 MET 3 HG3 MET 3 21.805 -5.600 -1.993 296 HG3 MET 3 HG2 MET 3 20.151 -5.773 -1.406 297 HE1 MET 3 HE1 MET 3 19.952 -2.626 -3.755 298 HE2 MET 3 HE2 MET 3 19.304 -4.231 -3.420 299 HE3 MET 3 HE3 MET 3 20.964 -4.054 -3.988 300 H LYS 4 H LYS 4 20.375 -7.218 2.224 301 HA LYS 4 HA LYS 4 18.060 -8.091 0.876 302 HB2 LYS 4 HB3 LYS 4 19.695 -9.627 1.915 303 HB3 LYS 4 HB2 LYS 4 19.180 -9.083 3.504 304 HG2 LYS 4 HG3 LYS 4 16.931 -9.945 3.066 305 HG3 LYS 4 HG2 LYS 4 17.467 -10.517 1.486 306 HD2 LYS 4 HD3 LYS 4 18.614 -11.402 4.132 307 HD3 LYS 4 HD2 LYS 4 17.426 -12.301 3.192 308 HE2 LYS 4 HE3 LYS 4 19.035 -12.408 1.323 309 HE3 LYS 4 HE2 LYS 4 20.225 -11.586 2.330 310 HZ1 LYS 4 HZ1 LYS 4 20.565 -13.966 2.348 311 HZ2 LYS 4 HZ2 LYS 4 18.993 -14.222 2.908 312 HZ3 LYS 4 HZ3 LYS 4 20.118 -13.434 3.890 313 H GLN 5 H GLN 5 18.551 -6.498 3.978 314 HA GLN 5 HA GLN 5 15.942 -6.720 4.977 315 HB2 GLN 5 HB3 GLN 5 18.037 -4.592 5.384 316 HB3 GLN 5 HB2 GLN 5 16.513 -4.616 6.256 317 HG2 GLN 5 HG3 GLN 5 18.611 -6.774 6.325 318 HG3 GLN 5 HG2 GLN 5 18.336 -5.558 7.572 319 HE21 GLN 5 HE21 GLN 5 17.212 -8.494 6.142 320 HE22 GLN 5 HE22 GLN 5 16.010 -8.856 7.328 321 H LEU 6 H LEU 6 17.428 -4.242 2.912 322 HA LEU 6 HA LEU 6 15.080 -2.647 2.736 323 HB2 LEU 6 HB3 LEU 6 17.685 -2.737 1.280 324 HB3 LEU 6 HB2 LEU 6 16.363 -1.833 0.569 325 HG LEU 6 HG LEU 6 16.220 -0.466 2.629 326 HD11 LEU 6 HD11 LEU 6 18.687 -1.982 3.455 327 HD12 LEU 6 HD12 LEU 6 17.108 -2.049 4.237 328 HD13 LEU 6 HD13 LEU 6 18.041 -0.553 4.260 329 HD21 LEU 6 HD21 LEU 6 18.934 -0.542 1.323 330 HD22 LEU 6 HD22 LEU 6 18.279 0.806 2.254 331 HD23 LEU 6 HD23 LEU 6 17.513 0.327 0.739 332 H GLU 7 H GLU 7 16.386 -5.297 0.823 333 HA GLU 7 HA GLU 7 14.538 -5.112 -1.310 334 HB2 GLU 7 HB3 GLU 7 16.056 -7.500 -0.250 335 HB3 GLU 7 HB2 GLU 7 15.145 -7.487 -1.753 336 HG2 GLU 7 HG3 GLU 7 17.541 -5.784 -1.108 337 HG3 GLU 7 HG2 GLU 7 17.508 -7.188 -2.173 338 H ASP 8 H ASP 8 14.465 -6.823 1.785 339 HA ASP 8 HA ASP 8 11.922 -8.046 1.284 340 HB2 ASP 8 HB3 ASP 8 13.577 -7.666 3.766 341 HB3 ASP 8 HB2 ASP 8 11.948 -8.323 3.848 342 H LYS 9 H LYS 9 13.019 -5.044 2.657 343 HA LYS 9 HA LYS 9 10.654 -4.221 3.918 344 HB2 LYS 9 HB3 LYS 9 12.851 -3.132 4.233 345 HB3 LYS 9 HB2 LYS 9 12.764 -2.505 2.593 346 HG2 LYS 9 HG3 LYS 9 10.746 -1.239 3.211 347 HG3 LYS 9 HG2 LYS 9 10.912 -1.824 4.866 348 HD2 LYS 9 HD3 LYS 9 12.982 -0.201 3.386 349 HD3 LYS 9 HD2 LYS 9 11.830 0.450 4.552 350 HE2 LYS 9 HE3 LYS 9 13.918 -1.648 5.135 351 HE3 LYS 9 HE2 LYS 9 14.045 0.060 5.547 352 HZ1 LYS 9 HZ1 LYS 9 13.329 -1.227 7.443 353 HZ2 LYS 9 HZ2 LYS 9 12.005 -1.833 6.584 354 HZ3 LYS 9 HZ3 LYS 9 12.087 -0.186 6.958 355 H VAL 10 H VAL 10 11.867 -3.490 0.638 356 HA VAL 10 HA VAL 10 9.593 -2.000 -0.117 357 HB VAL 10 HB VAL 10 11.704 -1.766 -1.315 358 HG11 VAL 10 HG11 VAL 10 11.180 -4.534 -2.382 359 HG12 VAL 10 HG12 VAL 10 12.469 -4.073 -1.271 360 HG13 VAL 10 HG13 VAL 10 12.460 -3.447 -2.919 361 HG21 VAL 10 HG21 VAL 10 10.824 -1.759 -3.607 362 HG22 VAL 10 HG22 VAL 10 9.667 -1.101 -2.449 363 HG23 VAL 10 HG23 VAL 10 9.457 -2.737 -3.073 364 H GLU 11 H GLU 11 10.347 -5.441 -0.369 365 HA GLU 11 HA GLU 11 8.067 -6.126 -1.923 366 HB2 GLU 11 HB3 GLU 11 9.759 -7.779 -0.048 367 HB3 GLU 11 HB2 GLU 11 8.471 -8.442 -1.041 368 HG2 GLU 11 HG3 GLU 11 9.657 -7.669 -3.054 369 HG3 GLU 11 HG2 GLU 11 10.967 -7.084 -2.027 370 H GLU 12 H GLU 12 8.679 -5.829 1.523 371 HA GLU 12 HA GLU 12 6.261 -6.869 2.464 372 HB2 GLU 12 HB3 GLU 12 8.222 -6.320 3.883 373 HB3 GLU 12 HB2 GLU 12 7.862 -4.611 3.673 374 HG2 GLU 12 HG3 GLU 12 5.756 -4.870 4.806 375 HG3 GLU 12 HG2 GLU 12 5.995 -6.611 4.923 376 H LEU 13 H LEU 13 7.072 -3.422 1.815 377 HA LEU 13 HA LEU 13 4.395 -2.569 2.104 378 HB2 LEU 13 HB3 LEU 13 6.747 -1.278 0.750 379 HB3 LEU 13 HB2 LEU 13 5.150 -0.560 0.709 380 HG LEU 13 HG LEU 13 5.206 -0.780 3.271 381 HD11 LEU 13 HD11 LEU 13 7.172 -2.184 3.447 382 HD12 LEU 13 HD12 LEU 13 7.434 -0.642 4.262 383 HD13 LEU 13 HD13 LEU 13 8.154 -0.936 2.679 384 HD21 LEU 13 HD21 LEU 13 6.955 1.203 1.828 385 HD22 LEU 13 HD22 LEU 13 6.345 1.387 3.472 386 HD23 LEU 13 HD23 LEU 13 5.220 1.342 2.114 387 H LEU 14 H LEU 14 6.157 -3.762 -0.710 388 HA LEU 14 HA LEU 14 4.224 -3.327 -2.660 389 HB2 LEU 14 HB3 LEU 14 6.460 -4.215 -3.121 390 HB3 LEU 14 HB2 LEU 14 6.079 -5.691 -2.276 391 HG LEU 14 HG LEU 14 6.121 -5.801 -4.785 392 HD11 LEU 14 HD11 LEU 14 5.099 -7.547 -3.462 393 HD12 LEU 14 HD12 LEU 14 4.197 -7.281 -4.953 394 HD13 LEU 14 HD13 LEU 14 3.581 -6.650 -3.426 395 HD21 LEU 14 HD21 LEU 14 4.183 -5.041 -6.020 396 HD22 LEU 14 HD22 LEU 14 4.975 -3.679 -5.228 397 HD23 LEU 14 HD23 LEU 14 3.492 -4.353 -4.550 398 H SER 15 H SER 15 4.502 -5.854 -0.224 399 HA SER 15 HA SER 15 2.127 -7.225 -0.922 400 HB2 SER 15 HB3 SER 15 3.484 -7.087 1.781 401 HB3 SER 15 HB2 SER 15 2.349 -8.322 1.238 402 HG SER 15 HG SER 15 4.754 -7.797 -0.156 403 H LYS 16 H LYS 16 2.835 -4.543 1.313 404 HA LYS 16 HA LYS 16 0.319 -4.428 2.539 405 HB2 LYS 16 HB3 LYS 16 2.352 -2.261 2.040 406 HB3 LYS 16 HB2 LYS 16 0.901 -2.026 3.002 407 HG2 LYS 16 HG3 LYS 16 1.640 -3.786 4.537 408 HG3 LYS 16 HG2 LYS 16 3.107 -3.991 3.581 409 HD2 LYS 16 HD3 LYS 16 3.557 -2.606 5.524 410 HD3 LYS 16 HD2 LYS 16 3.719 -1.658 4.048 411 HE2 LYS 16 HE3 LYS 16 2.550 -0.392 5.763 412 HE3 LYS 16 HE2 LYS 16 1.485 -0.722 4.399 413 HZ1 LYS 16 HZ1 LYS 16 1.524 -2.204 6.970 414 HZ2 LYS 16 HZ2 LYS 16 0.505 -2.538 5.666 415 HZ3 LYS 16 HZ3 LYS 16 0.360 -1.074 6.497 416 H ASN 17 H ASN 17 1.513 -2.507 -0.254 417 HA ASN 17 HA ASN 17 -1.045 -1.305 -0.612 418 HB2 ASN 17 HB3 ASN 17 -0.157 -0.398 -2.732 419 HB3 ASN 17 HB2 ASN 17 0.885 -0.077 -1.360 420 HD21 ASN 17 HD21 ASN 17 0.707 -3.086 -3.243 421 HD22 ASN 17 HD22 ASN 17 2.319 -2.989 -3.835 422 H TYR 18 H TYR 18 0.265 -4.304 -1.543 423 HA TYR 18 HA TYR 18 -1.535 -4.792 -3.725 424 HB2 TYR 18 HB3 TYR 18 0.531 -6.040 -3.635 425 HB3 TYR 18 HB2 TYR 18 0.142 -6.656 -2.033 426 HD1 TYR 18 HD1 TYR 18 -1.218 -6.654 -5.516 427 HD2 TYR 18 HD2 TYR 18 -0.776 -8.763 -1.848 428 HE1 TYR 18 HE1 TYR 18 -2.280 -8.630 -6.527 429 HE2 TYR 18 HE2 TYR 18 -1.834 -10.738 -2.850 430 HH TYR 18 HH TYR 18 -2.402 -11.023 -6.208 431 H HIS 19 H HIS 19 -1.407 -5.766 -0.303 432 HA HIS 19 HA HIS 19 -3.857 -7.177 -0.326 433 HB2 HIS 19 HB3 HIS 19 -2.196 -5.969 1.865 434 HB3 HIS 19 HB2 HIS 19 -3.773 -6.668 2.218 435 HD1 HIS 19 HD1 HIS 19 -3.645 -9.023 2.925 436 HD2 HIS 19 HD2 HIS 19 -0.534 -8.021 0.360 437 HE1 HIS 19 HE1 HIS 19 -2.238 -11.093 2.731 438 HE2 HIS 19 HE2 HIS 19 -0.268 -10.401 1.324 439 H LEU 20 H LEU 20 -3.055 -3.819 0.473 440 HA LEU 20 HA LEU 20 -5.684 -3.071 1.194 441 HB2 LEU 20 HB3 LEU 20 -3.169 -1.652 0.557 442 HB3 LEU 20 HB2 LEU 20 -4.647 -0.736 0.361 443 HG LEU 20 HG LEU 20 -3.571 -0.419 2.578 444 HD11 LEU 20 HD11 LEU 20 -5.591 -0.589 3.868 445 HD12 LEU 20 HD12 LEU 20 -6.257 -1.774 2.745 446 HD13 LEU 20 HD13 LEU 20 -6.005 -0.111 2.221 447 HD21 LEU 20 HD21 LEU 20 -3.730 -2.207 4.232 448 HD22 LEU 20 HD22 LEU 20 -2.684 -2.668 2.889 449 HD23 LEU 20 HD23 LEU 20 -4.326 -3.307 2.993 450 H GLU 21 H GLU 21 -3.997 -3.189 -1.890 451 HA GLU 21 HA GLU 21 -5.949 -1.896 -3.451 452 HB2 GLU 21 HB3 GLU 21 -3.681 -2.483 -4.267 453 HB3 GLU 21 HB2 GLU 21 -4.135 -4.181 -4.254 454 HG2 GLU 21 HG3 GLU 21 -5.886 -3.696 -5.916 455 HG3 GLU 21 HG2 GLU 21 -5.348 -2.018 -5.959 456 H ASN 22 H ASN 22 -5.566 -5.236 -2.406 457 HA ASN 22 HA ASN 22 -7.804 -6.300 -3.755 458 HB2 ASN 22 HB3 ASN 22 -6.432 -7.221 -1.222 459 HB3 ASN 22 HB2 ASN 22 -7.677 -8.138 -2.060 460 HD21 ASN 22 HD21 ASN 22 -4.976 -8.924 -1.504 461 HD22 ASN 22 HD22 ASN 22 -4.221 -9.224 -3.031 462 H GLU 23 H GLU 23 -7.445 -4.488 -0.821 463 HA GLU 23 HA GLU 23 -9.958 -5.202 0.326 464 HB2 GLU 23 HB3 GLU 23 -8.184 -2.816 0.886 465 HB3 GLU 23 HB2 GLU 23 -9.568 -3.326 1.875 466 HG2 GLU 23 HG3 GLU 23 -7.015 -4.862 1.414 467 HG3 GLU 23 HG2 GLU 23 -7.491 -4.023 2.889 468 H VAL 24 H VAL 24 -8.828 -2.554 -1.733 469 HA VAL 24 HA VAL 24 -11.277 -1.094 -1.594 470 HB VAL 24 HB VAL 24 -9.239 -0.913 -3.829 471 HG11 VAL 24 HG11 VAL 24 -11.404 0.237 -4.193 472 HG12 VAL 24 HG12 VAL 24 -10.052 1.360 -4.079 473 HG13 VAL 24 HG13 VAL 24 -11.147 1.157 -2.710 474 HG21 VAL 24 HG21 VAL 24 -8.098 -0.703 -1.691 475 HG22 VAL 24 HG22 VAL 24 -9.258 0.522 -1.178 476 HG23 VAL 24 HG23 VAL 24 -8.164 0.850 -2.522 477 H ALA 25 H ALA 25 -10.154 -3.792 -3.469 478 HA ALA 25 HA ALA 25 -12.370 -3.709 -5.320 479 HB1 ALA 25 HB1 ALA 25 -11.605 -5.880 -6.067 480 HB2 ALA 25 HB2 ALA 25 -10.537 -6.014 -4.673 481 HB3 ALA 25 HB3 ALA 25 -10.224 -4.793 -5.905 482 H ARG 26 H ARG 26 -11.621 -5.111 -2.243 483 HA ARG 26 HA ARG 26 -13.743 -6.932 -1.995 484 HB2 ARG 26 HB3 ARG 26 -12.066 -7.255 -0.441 485 HB3 ARG 26 HB2 ARG 26 -11.866 -5.541 -0.139 486 HG2 ARG 26 HG3 ARG 26 -12.725 -6.715 1.804 487 HG3 ARG 26 HG2 ARG 26 -13.871 -5.513 1.214 488 HD2 ARG 26 HD2 ARG 26 -15.136 -7.308 0.095 489 HD3 ARG 26 HD1 ARG 26 -13.986 -8.493 0.712 490 HE ARG 26 HE ARG 26 -14.958 -7.072 2.893 491 HH11 ARG 26 HH11 ARG 26 -16.213 -9.223 0.440 492 HH12 ARG 26 HH12 ARG 26 -17.459 -9.861 1.458 493 HH21 ARG 26 HH21 ARG 26 -16.607 -7.901 4.234 494 HH22 ARG 26 HH22 ARG 26 -17.699 -9.097 3.615 495 H LEU 27 H LEU 27 -13.456 -3.609 -0.671 496 HA LEU 27 HA LEU 27 -16.140 -3.512 0.192 497 HB2 LEU 27 HB3 LEU 27 -14.103 -1.374 -0.332 498 HB3 LEU 27 HB2 LEU 27 -15.758 -0.962 0.063 499 HG LEU 27 HG LEU 27 -15.535 -2.250 2.176 500 HD11 LEU 27 HD11 LEU 27 -12.642 -2.394 1.369 501 HD12 LEU 27 HD12 LEU 27 -13.744 -3.744 1.627 502 HD13 LEU 27 HD13 LEU 27 -13.256 -2.736 2.985 503 HD21 LEU 27 HD21 LEU 27 -13.588 -0.001 1.774 504 HD22 LEU 27 HD22 LEU 27 -14.202 -0.567 3.328 505 HD23 LEU 27 HD23 LEU 27 -15.304 0.152 2.151 506 H LYS 28 H LYS 28 -14.670 -2.862 -2.901 507 HA LYS 28 HA LYS 28 -16.675 -1.372 -4.112 508 HB2 LYS 28 HB3 LYS 28 -14.428 -1.968 -5.086 509 HB3 LYS 28 HB2 LYS 28 -15.082 -3.556 -5.459 510 HG2 LYS 28 HG3 LYS 28 -15.139 -2.143 -7.415 511 HG3 LYS 28 HG2 LYS 28 -16.782 -2.511 -6.883 512 HD2 LYS 28 HD3 LYS 28 -16.926 -0.333 -5.788 513 HD3 LYS 28 HD2 LYS 28 -15.273 0.035 -6.285 514 HE2 LYS 28 HE3 LYS 28 -17.593 -0.489 -8.137 515 HE3 LYS 28 HE2 LYS 28 -16.938 1.098 -7.737 516 HZ1 LYS 28 HZ1 LYS 28 -16.096 0.295 -9.848 517 HZ2 LYS 28 HZ2 LYS 28 -15.456 -1.081 -9.103 518 HZ3 LYS 28 HZ3 LYS 28 -14.839 0.448 -8.731 519 H LYS 29 H LYS 29 -16.444 -4.857 -3.604 520 HA LYS 29 HA LYS 29 -18.814 -5.503 -5.027 521 HB2 LYS 29 HB3 LYS 29 -17.291 -7.006 -2.895 522 HB3 LYS 29 HB2 LYS 29 -18.599 -7.675 -3.852 523 HG2 LYS 29 HG3 LYS 29 -16.028 -6.613 -4.991 524 HG3 LYS 29 HG2 LYS 29 -16.351 -8.311 -4.655 525 HD2 LYS 29 HD3 LYS 29 -17.922 -6.572 -6.553 526 HD3 LYS 29 HD2 LYS 29 -16.697 -7.752 -7.019 527 HE2 LYS 29 HE3 LYS 29 -19.304 -8.334 -5.612 528 HE3 LYS 29 HE2 LYS 29 -18.921 -8.686 -7.296 529 HZ1 LYS 29 HZ1 LYS 29 -18.688 -10.659 -5.962 530 HZ2 LYS 29 HZ2 LYS 29 -17.615 -9.887 -4.915 531 HZ3 LYS 29 HZ3 LYS 29 -17.163 -10.183 -6.516 532 H LEU 30 H LEU 30 -18.068 -4.614 -1.719 533 HA LEU 30 HA LEU 30 -20.584 -5.310 -0.598 534 HB2 LEU 30 HB3 LEU 30 -18.546 -3.281 0.322 535 HB3 LEU 30 HB2 LEU 30 -19.908 -3.841 1.272 536 HG LEU 30 HG LEU 30 -17.592 -5.543 0.342 537 HD11 LEU 30 HD11 LEU 30 -16.974 -3.971 2.099 538 HD12 LEU 30 HD12 LEU 30 -17.007 -5.625 2.710 539 HD13 LEU 30 HD13 LEU 30 -18.331 -4.522 3.081 540 HD21 LEU 30 HD21 LEU 30 -18.574 -7.269 1.783 541 HD22 LEU 30 HD22 LEU 30 -19.650 -6.832 0.456 542 HD23 LEU 30 HD23 LEU 30 -19.962 -6.223 2.081 543 H VAL 31 H VAL 31 -19.390 -2.535 -2.323 544 HA VAL 31 HA VAL 31 -21.640 -0.858 -1.696 545 HB VAL 31 HB VAL 31 -19.599 -0.557 -3.919 546 HG11 VAL 31 HG11 VAL 31 -20.272 1.788 -3.949 547 HG12 VAL 31 HG12 VAL 31 -21.487 1.465 -2.713 548 HG13 VAL 31 HG13 VAL 31 -21.638 0.735 -4.313 549 HG21 VAL 31 HG21 VAL 31 -18.491 1.039 -2.431 550 HG22 VAL 31 HG22 VAL 31 -18.527 -0.581 -1.736 551 HG23 VAL 31 HG23 VAL 31 -19.647 0.651 -1.158 552 H GLY 32 H GLY 32 -20.874 -3.293 -4.024 553 HA2 GLY 32 HA3 GLY 32 -23.027 -2.518 -5.825 554 HA3 GLY 32 HA2 GLY 32 -21.892 -3.838 -6.061 555 H GLU 33 H GLU 33 -22.155 -5.440 -3.967 556 HA GLU 33 HA GLU 33 -24.952 -5.953 -3.426 557 HB2 GLU 33 HB3 GLU 33 -24.644 -6.950 -5.661 558 HB3 GLU 33 HB2 GLU 33 -23.308 -7.909 -5.046 559 HG2 GLU 33 HG3 GLU 33 -24.828 -9.078 -3.540 560 HG3 GLU 33 HG2 GLU 33 -26.171 -8.104 -4.137 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 21.692 5.319 -11.298 2 H2 GLY 1 H2 GLY 1 21.908 6.925 -10.818 3 H3 GLY 1 H3 GLY 1 20.407 6.174 -10.610 4 HA2 GLY 1 HA2 GLY 1 22.920 5.411 -9.233 5 HA3 GLY 1 HA3 GLY 1 21.605 6.327 -8.514 6 H SER 2 H SER 2 21.656 4.536 -6.934 7 HA SER 2 HA SER 2 19.735 2.508 -7.741 8 HB2 SER 2 HB3 SER 2 21.994 1.495 -8.107 9 HB3 SER 2 HB2 SER 2 22.335 1.734 -6.394 10 HG SER 2 HG SER 2 21.290 -0.036 -6.013 11 H MET 3 H MET 3 21.864 3.351 -4.992 12 HA MET 3 HA MET 3 20.150 2.486 -2.977 13 HB2 MET 3 HB3 MET 3 22.423 2.897 -2.429 14 HB3 MET 3 HB2 MET 3 22.338 4.557 -2.998 15 HG2 MET 3 HG3 MET 3 22.408 4.375 -0.548 16 HG3 MET 3 HG2 MET 3 20.960 5.185 -1.137 17 HE1 MET 3 HE1 MET 3 21.030 0.850 0.449 18 HE2 MET 3 HE2 MET 3 22.438 1.914 0.451 19 HE3 MET 3 HE3 MET 3 21.778 1.328 -1.077 20 H LYS 4 H LYS 4 20.573 5.790 -4.242 21 HA LYS 4 HA LYS 4 18.675 6.966 -2.520 22 HB2 LYS 4 HB3 LYS 4 19.807 7.846 -5.170 23 HB3 LYS 4 HB2 LYS 4 18.658 8.819 -4.266 24 HG2 LYS 4 HG3 LYS 4 20.205 8.934 -2.389 25 HG3 LYS 4 HG2 LYS 4 21.358 7.930 -3.267 26 HD2 LYS 4 HD3 LYS 4 21.973 10.277 -3.428 27 HD3 LYS 4 HD2 LYS 4 21.515 9.648 -5.011 28 HE2 LYS 4 HE3 LYS 4 20.577 11.866 -4.650 29 HE3 LYS 4 HE2 LYS 4 19.301 10.658 -4.772 30 HZ1 LYS 4 HZ1 LYS 4 19.111 10.662 -2.366 31 HZ2 LYS 4 HZ2 LYS 4 18.892 12.223 -2.975 32 HZ3 LYS 4 HZ3 LYS 4 20.354 11.801 -2.240 33 H GLN 5 H GLN 5 18.394 5.530 -5.709 34 HA GLN 5 HA GLN 5 15.714 6.359 -6.172 35 HB2 GLN 5 HB3 GLN 5 17.353 4.133 -7.388 36 HB3 GLN 5 HB2 GLN 5 15.760 4.613 -7.960 37 HG2 GLN 5 HG3 GLN 5 16.586 6.809 -8.527 38 HG3 GLN 5 HG2 GLN 5 18.169 6.411 -7.863 39 HE21 GLN 5 HE21 GLN 5 16.280 4.112 -9.670 40 HE22 GLN 5 HE22 GLN 5 17.293 4.088 -11.071 41 H LEU 6 H LEU 6 17.193 3.401 -4.912 42 HA LEU 6 HA LEU 6 14.813 1.894 -4.746 43 HB2 LEU 6 HB3 LEU 6 17.264 1.121 -4.655 44 HB3 LEU 6 HB2 LEU 6 17.211 1.545 -2.958 45 HG LEU 6 HG LEU 6 16.866 -0.912 -3.600 46 HD11 LEU 6 HD11 LEU 6 15.224 -1.263 -1.823 47 HD12 LEU 6 HD12 LEU 6 14.847 0.459 -1.839 48 HD13 LEU 6 HD13 LEU 6 16.456 -0.088 -1.366 49 HD21 LEU 6 HD21 LEU 6 14.100 0.101 -4.241 50 HD22 LEU 6 HD22 LEU 6 14.625 -1.582 -4.202 51 HD23 LEU 6 HD23 LEU 6 15.268 -0.486 -5.424 52 H GLU 7 H GLU 7 16.439 4.069 -2.489 53 HA GLU 7 HA GLU 7 14.709 3.608 -0.295 54 HB2 GLU 7 HB3 GLU 7 16.388 6.014 -1.002 55 HB3 GLU 7 HB2 GLU 7 15.541 5.819 0.526 56 HG2 GLU 7 HG3 GLU 7 16.854 3.806 0.987 57 HG3 GLU 7 HG2 GLU 7 17.715 4.030 -0.535 58 H ASP 8 H ASP 8 14.451 5.596 -3.150 59 HA ASP 8 HA ASP 8 12.170 7.057 -2.192 60 HB2 ASP 8 HB3 ASP 8 13.605 6.845 -4.795 61 HB3 ASP 8 HB2 ASP 8 11.941 7.418 -4.817 62 H LYS 9 H LYS 9 12.726 4.049 -3.852 63 HA LYS 9 HA LYS 9 10.105 3.649 -4.837 64 HB2 LYS 9 HB3 LYS 9 12.153 1.568 -4.042 65 HB3 LYS 9 HB2 LYS 9 10.737 1.287 -5.045 66 HG2 LYS 9 HG3 LYS 9 13.043 3.092 -5.745 67 HG3 LYS 9 HG2 LYS 9 12.792 1.459 -6.360 68 HD2 LYS 9 HD3 LYS 9 10.749 2.141 -7.453 69 HD3 LYS 9 HD2 LYS 9 10.871 3.752 -6.745 70 HE2 LYS 9 HE3 LYS 9 11.605 3.757 -9.071 71 HE3 LYS 9 HE2 LYS 9 12.932 4.153 -7.981 72 HZ1 LYS 9 HZ1 LYS 9 13.760 1.914 -8.194 73 HZ2 LYS 9 HZ2 LYS 9 13.591 2.597 -9.729 74 HZ3 LYS 9 HZ3 LYS 9 12.456 1.476 -9.176 75 H VAL 10 H VAL 10 11.687 2.692 -1.807 76 HA VAL 10 HA VAL 10 9.457 1.265 -0.797 77 HB VAL 10 HB VAL 10 11.722 0.880 0.059 78 HG11 VAL 10 HG11 VAL 10 12.762 2.436 1.627 79 HG12 VAL 10 HG12 VAL 10 11.470 3.598 1.329 80 HG13 VAL 10 HG13 VAL 10 12.572 3.153 0.027 81 HG21 VAL 10 HG21 VAL 10 9.829 0.230 1.436 82 HG22 VAL 10 HG22 VAL 10 9.804 1.828 2.180 83 HG23 VAL 10 HG23 VAL 10 11.178 0.755 2.441 84 H GLU 11 H GLU 11 10.434 4.643 -0.601 85 HA GLU 11 HA GLU 11 8.366 5.382 1.245 86 HB2 GLU 11 HB3 GLU 11 10.015 7.049 -0.667 87 HB3 GLU 11 HB2 GLU 11 8.923 7.708 0.543 88 HG2 GLU 11 HG3 GLU 11 10.254 6.709 2.314 89 HG3 GLU 11 HG2 GLU 11 11.333 5.999 1.114 90 H GLU 12 H GLU 12 8.734 5.385 -2.270 91 HA GLU 12 HA GLU 12 6.326 6.604 -2.950 92 HB2 GLU 12 HB3 GLU 12 8.140 6.029 -4.551 93 HB3 GLU 12 HB2 GLU 12 7.670 4.340 -4.433 94 HG2 GLU 12 HG3 GLU 12 5.507 4.830 -5.379 95 HG3 GLU 12 HG2 GLU 12 5.876 6.553 -5.398 96 H LEU 13 H LEU 13 6.956 3.090 -2.549 97 HA LEU 13 HA LEU 13 4.222 2.411 -2.784 98 HB2 LEU 13 HB3 LEU 13 6.543 0.900 -1.615 99 HB3 LEU 13 HB2 LEU 13 4.918 0.241 -1.703 100 HG LEU 13 HG LEU 13 5.911 1.390 -4.206 101 HD11 LEU 13 HD11 LEU 13 7.280 -0.588 -4.741 102 HD12 LEU 13 HD12 LEU 13 7.092 -1.163 -3.084 103 HD13 LEU 13 HD13 LEU 13 7.968 0.334 -3.405 104 HD21 LEU 13 HD21 LEU 13 4.839 -0.597 -5.126 105 HD22 LEU 13 HD22 LEU 13 3.763 0.243 -4.008 106 HD23 LEU 13 HD23 LEU 13 4.591 -1.226 -3.499 107 H LEU 14 H LEU 14 6.134 3.368 -0.001 108 HA LEU 14 HA LEU 14 4.231 2.760 1.958 109 HB2 LEU 14 HB3 LEU 14 6.511 3.397 2.506 110 HB3 LEU 14 HB2 LEU 14 6.278 4.983 1.817 111 HG LEU 14 HG LEU 14 6.303 4.775 4.349 112 HD11 LEU 14 HD11 LEU 14 5.595 6.788 3.206 113 HD12 LEU 14 HD12 LEU 14 4.616 6.501 4.647 114 HD13 LEU 14 HD13 LEU 14 3.961 6.139 3.050 115 HD21 LEU 14 HD21 LEU 14 4.845 2.811 4.526 116 HD22 LEU 14 HD22 LEU 14 3.503 3.760 3.887 117 HD23 LEU 14 HD23 LEU 14 4.217 4.181 5.442 118 H SER 15 H SER 15 4.658 5.647 -0.085 119 HA SER 15 HA SER 15 2.292 6.881 0.897 120 HB2 SER 15 HB3 SER 15 2.538 8.365 -1.147 121 HB3 SER 15 HB2 SER 15 3.893 8.359 -0.023 122 HG SER 15 HG SER 15 4.064 6.470 -2.024 123 H LYS 16 H LYS 16 2.957 4.681 -1.841 124 HA LYS 16 HA LYS 16 0.423 4.867 -3.034 125 HB2 LYS 16 HB3 LYS 16 2.323 2.539 -2.789 126 HB3 LYS 16 HB2 LYS 16 0.828 2.448 -3.703 127 HG2 LYS 16 HG3 LYS 16 1.586 4.264 -5.143 128 HG3 LYS 16 HG2 LYS 16 3.088 4.368 -4.224 129 HD2 LYS 16 HD3 LYS 16 3.353 3.104 -6.321 130 HD3 LYS 16 HD2 LYS 16 3.692 2.120 -4.898 131 HE2 LYS 16 HE3 LYS 16 1.591 1.008 -5.067 132 HE3 LYS 16 HE2 LYS 16 1.023 2.138 -6.296 133 HZ1 LYS 16 HZ1 LYS 16 3.286 0.250 -6.646 134 HZ2 LYS 16 HZ2 LYS 16 2.641 1.271 -7.827 135 HZ3 LYS 16 HZ3 LYS 16 1.718 -0.008 -7.221 136 H ASN 17 H ASN 17 1.537 2.623 -0.505 137 HA ASN 17 HA ASN 17 -0.900 1.385 0.031 138 HB2 ASN 17 HB3 ASN 17 1.261 0.576 0.877 139 HB3 ASN 17 HB2 ASN 17 1.390 1.986 1.921 140 HD21 ASN 17 HD21 ASN 17 0.114 2.109 3.768 141 HD22 ASN 17 HD22 ASN 17 -0.706 0.732 4.410 142 H TYR 18 H TYR 18 0.497 4.350 1.362 143 HA TYR 18 HA TYR 18 -1.444 4.792 3.346 144 HB2 TYR 18 HB3 TYR 18 0.765 5.924 3.259 145 HB3 TYR 18 HB2 TYR 18 0.203 6.862 1.880 146 HD1 TYR 18 HD1 TYR 18 -0.425 6.198 5.473 147 HD2 TYR 18 HD2 TYR 18 -1.040 8.839 2.196 148 HE1 TYR 18 HE1 TYR 18 -1.345 7.882 7.010 149 HE2 TYR 18 HE2 TYR 18 -1.960 10.529 3.725 150 HH TYR 18 HH TYR 18 -3.012 10.640 5.915 151 H HIS 19 H HIS 19 -1.196 6.027 0.015 152 HA HIS 19 HA HIS 19 -3.624 7.518 0.152 153 HB2 HIS 19 HB3 HIS 19 -2.104 6.494 -2.257 154 HB3 HIS 19 HB2 HIS 19 -3.436 7.642 -2.321 155 HD1 HIS 19 HD1 HIS 19 -0.309 8.042 -3.137 156 HD2 HIS 19 HD2 HIS 19 -2.303 9.568 0.176 157 HE1 HIS 19 HE1 HIS 19 1.001 10.070 -2.432 158 HE2 HIS 19 HE2 HIS 19 -0.118 10.856 -0.314 159 H LEU 20 H LEU 20 -2.806 4.246 -0.706 160 HA LEU 20 HA LEU 20 -5.282 3.577 -1.917 161 HB2 LEU 20 HB3 LEU 20 -3.151 2.428 -2.336 162 HB3 LEU 20 HB2 LEU 20 -3.140 1.857 -0.681 163 HG LEU 20 HG LEU 20 -5.165 0.555 -1.134 164 HD11 LEU 20 HD11 LEU 20 -4.769 1.506 -3.966 165 HD12 LEU 20 HD12 LEU 20 -6.137 1.882 -2.917 166 HD13 LEU 20 HD13 LEU 20 -5.876 0.228 -3.468 167 HD21 LEU 20 HD21 LEU 20 -2.911 -0.393 -1.354 168 HD22 LEU 20 HD22 LEU 20 -2.919 0.033 -3.065 169 HD23 LEU 20 HD23 LEU 20 -4.065 -1.151 -2.445 170 H GLU 21 H GLU 21 -3.968 3.430 1.344 171 HA GLU 21 HA GLU 21 -6.116 2.032 2.549 172 HB2 GLU 21 HB3 GLU 21 -3.895 2.442 3.609 173 HB3 GLU 21 HB2 GLU 21 -4.325 4.138 3.782 174 HG2 GLU 21 HG3 GLU 21 -6.159 3.542 5.252 175 HG3 GLU 21 HG2 GLU 21 -5.789 1.833 5.046 176 H ASN 22 H ASN 22 -5.603 5.385 1.710 177 HA ASN 22 HA ASN 22 -7.909 6.447 2.951 178 HB2 ASN 22 HB3 ASN 22 -6.069 7.355 0.784 179 HB3 ASN 22 HB2 ASN 22 -7.611 8.184 0.978 180 HD21 ASN 22 HD21 ASN 22 -4.543 7.438 2.485 181 HD22 ASN 22 HD22 ASN 22 -4.635 8.661 3.702 182 H GLU 23 H GLU 23 -7.359 4.660 0.058 183 HA GLU 23 HA GLU 23 -9.794 5.385 -1.262 184 HB2 GLU 23 HB3 GLU 23 -7.715 4.665 -2.451 185 HB3 GLU 23 HB2 GLU 23 -7.969 3.030 -1.804 186 HG2 GLU 23 HG3 GLU 23 -10.034 2.831 -3.028 187 HG3 GLU 23 HG2 GLU 23 -9.906 4.498 -3.589 188 H VAL 24 H VAL 24 -8.741 2.796 0.876 189 HA VAL 24 HA VAL 24 -11.096 1.216 0.599 190 HB VAL 24 HB VAL 24 -9.338 1.355 3.056 191 HG11 VAL 24 HG11 VAL 24 -11.463 0.160 3.331 192 HG12 VAL 24 HG12 VAL 24 -10.086 -0.935 3.429 193 HG13 VAL 24 HG13 VAL 24 -11.059 -0.876 1.958 194 HG21 VAL 24 HG21 VAL 24 -7.969 0.970 1.043 195 HG22 VAL 24 HG22 VAL 24 -8.978 -0.422 0.647 196 HG23 VAL 24 HG23 VAL 24 -8.002 -0.429 2.114 197 H ALA 25 H ALA 25 -10.140 3.918 2.611 198 HA ALA 25 HA ALA 25 -12.222 3.756 4.500 199 HB1 ALA 25 HB1 ALA 25 -10.140 5.055 4.820 200 HB2 ALA 25 HB2 ALA 25 -11.603 5.971 5.175 201 HB3 ALA 25 HB3 ALA 25 -10.744 6.238 3.660 202 H ARG 26 H ARG 26 -11.955 5.600 1.461 203 HA ARG 26 HA ARG 26 -14.363 6.998 1.760 204 HB2 ARG 26 HB3 ARG 26 -14.253 7.155 -0.780 205 HB3 ARG 26 HB2 ARG 26 -12.934 7.857 0.133 206 HG2 ARG 26 HG3 ARG 26 -11.610 5.819 -0.323 207 HG3 ARG 26 HG2 ARG 26 -12.925 5.226 -1.342 208 HD2 ARG 26 HD2 ARG 26 -11.213 6.282 -2.698 209 HD3 ARG 26 HD1 ARG 26 -12.703 7.223 -2.753 210 HE ARG 26 HE ARG 26 -11.147 8.281 -0.709 211 HH11 ARG 26 HH11 ARG 26 -10.970 7.922 -4.185 212 HH12 ARG 26 HH12 ARG 26 -9.999 9.342 -4.408 213 HH21 ARG 26 HH21 ARG 26 -9.886 10.141 -0.992 214 HH22 ARG 26 HH22 ARG 26 -9.375 10.606 -2.585 215 H LEU 27 H LEU 27 -13.685 3.879 0.212 216 HA LEU 27 HA LEU 27 -16.312 3.372 -0.645 217 HB2 LEU 27 HB3 LEU 27 -13.979 1.622 -0.000 218 HB3 LEU 27 HB2 LEU 27 -15.551 0.895 -0.239 219 HG LEU 27 HG LEU 27 -15.666 1.819 -2.496 220 HD11 LEU 27 HD11 LEU 27 -13.647 2.814 -3.510 221 HD12 LEU 27 HD12 LEU 27 -12.921 2.896 -1.903 222 HD13 LEU 27 HD13 LEU 27 -14.373 3.830 -2.262 223 HD21 LEU 27 HD21 LEU 27 -14.769 -0.378 -2.240 224 HD22 LEU 27 HD22 LEU 27 -13.170 0.271 -1.873 225 HD23 LEU 27 HD23 LEU 27 -13.857 0.473 -3.486 226 H LYS 28 H LYS 28 -14.728 2.841 2.464 227 HA LYS 28 HA LYS 28 -16.774 1.380 3.695 228 HB2 LYS 28 HB3 LYS 28 -14.713 3.245 4.859 229 HB3 LYS 28 HB2 LYS 28 -15.821 2.300 5.847 230 HG2 LYS 28 HG3 LYS 28 -14.940 0.242 4.889 231 HG3 LYS 28 HG2 LYS 28 -13.848 1.180 3.872 232 HD2 LYS 28 HD3 LYS 28 -12.698 0.274 5.819 233 HD3 LYS 28 HD2 LYS 28 -12.722 2.041 5.856 234 HE2 LYS 28 HE3 LYS 28 -14.620 1.964 7.417 235 HE3 LYS 28 HE2 LYS 28 -14.560 0.204 7.391 236 HZ1 LYS 28 HZ1 LYS 28 -12.329 0.310 8.317 237 HZ2 LYS 28 HZ2 LYS 28 -13.437 1.084 9.328 238 HZ3 LYS 28 HZ3 LYS 28 -12.400 1.998 8.355 239 H LYS 29 H LYS 29 -16.546 4.833 3.077 240 HA LYS 29 HA LYS 29 -18.740 5.514 4.771 241 HB2 LYS 29 HB3 LYS 29 -17.271 6.926 2.577 242 HB3 LYS 29 HB2 LYS 29 -18.800 7.556 3.152 243 HG2 LYS 29 HG3 LYS 29 -16.991 8.685 4.252 244 HG3 LYS 29 HG2 LYS 29 -17.874 7.707 5.422 245 HD2 LYS 29 HD3 LYS 29 -16.157 6.000 5.330 246 HD3 LYS 29 HD2 LYS 29 -15.300 6.899 4.074 247 HE2 LYS 29 HE3 LYS 29 -15.792 7.821 6.903 248 HE3 LYS 29 HE2 LYS 29 -14.261 7.236 6.253 249 HZ1 LYS 29 HZ1 LYS 29 -14.259 9.109 4.714 250 HZ2 LYS 29 HZ2 LYS 29 -14.309 9.637 6.317 251 HZ3 LYS 29 HZ3 LYS 29 -15.710 9.672 5.375 252 H LEU 30 H LEU 30 -18.386 4.324 1.533 253 HA LEU 30 HA LEU 30 -21.126 4.835 0.803 254 HB2 LEU 30 HB3 LEU 30 -18.817 3.425 -0.447 255 HB3 LEU 30 HB2 LEU 30 -20.427 3.069 -1.034 256 HG LEU 30 HG LEU 30 -19.255 4.748 -2.407 257 HD11 LEU 30 HD11 LEU 30 -21.060 6.291 -2.619 258 HD12 LEU 30 HD12 LEU 30 -21.602 5.973 -0.975 259 HD13 LEU 30 HD13 LEU 30 -21.734 4.716 -2.205 260 HD21 LEU 30 HD21 LEU 30 -19.376 6.459 0.070 261 HD22 LEU 30 HD22 LEU 30 -18.903 7.007 -1.537 262 HD23 LEU 30 HD23 LEU 30 -17.917 5.817 -0.687 263 H VAL 31 H VAL 31 -19.306 2.216 2.221 264 HA VAL 31 HA VAL 31 -21.506 0.346 1.952 265 HB VAL 31 HB VAL 31 -18.932 -0.034 3.502 266 HG11 VAL 31 HG11 VAL 31 -20.909 -2.042 2.426 267 HG12 VAL 31 HG12 VAL 31 -20.715 -1.587 4.119 268 HG13 VAL 31 HG13 VAL 31 -19.408 -2.413 3.272 269 HG21 VAL 31 HG21 VAL 31 -19.570 -0.803 0.658 270 HG22 VAL 31 HG22 VAL 31 -18.107 -1.237 1.544 271 HG23 VAL 31 HG23 VAL 31 -18.442 0.453 1.167 272 H GLY 32 H GLY 32 -20.191 2.494 4.391 273 HA2 GLY 32 HA3 GLY 32 -22.233 1.499 6.268 274 HA3 GLY 32 HA2 GLY 32 -20.579 1.750 6.798 275 H GLU 33 H GLU 33 -20.069 4.182 5.430 276 HA GLU 33 HA GLU 33 -20.246 6.422 5.688 277 HB2 GLU 33 HB3 GLU 33 -22.503 6.129 4.737 278 HB3 GLU 33 HB2 GLU 33 -23.144 5.870 6.353 279 HG2 GLU 33 HG3 GLU 33 -22.540 8.128 6.985 280 HG3 GLU 33 HG2 GLU 33 -21.815 8.397 5.400 281 H1 GLY 1 H1 GLY 1 21.731 -5.569 10.608 282 H2 GLY 1 H2 GLY 1 21.944 -7.171 10.117 283 H3 GLY 1 H3 GLY 1 20.441 -6.417 9.918 284 HA2 GLY 1 HA2 GLY 1 22.953 -5.651 8.540 285 HA3 GLY 1 HA3 GLY 1 21.633 -6.561 7.819 286 H SER 2 H SER 2 21.687 -4.760 6.247 287 HA SER 2 HA SER 2 19.765 -2.738 7.073 288 HB2 SER 2 HB3 SER 2 22.022 -1.725 7.439 289 HB3 SER 2 HB2 SER 2 22.359 -1.950 5.724 290 HG SER 2 HG SER 2 21.331 -0.164 5.377 291 H MET 3 H MET 3 21.883 -3.567 4.313 292 HA MET 3 HA MET 3 20.162 -2.683 2.312 293 HB2 MET 3 HB3 MET 3 22.433 -3.094 1.754 294 HB3 MET 3 HB2 MET 3 22.345 -4.759 2.305 295 HG2 MET 3 HG3 MET 3 22.406 -4.550 -0.144 296 HG3 MET 3 HG2 MET 3 20.959 -5.365 0.444 297 HE1 MET 3 HE1 MET 3 21.033 -1.019 -1.112 298 HE2 MET 3 HE2 MET 3 22.436 -2.089 -1.127 299 HE3 MET 3 HE3 MET 3 21.787 -1.505 0.407 300 H LYS 4 H LYS 4 20.578 -5.999 3.553 301 HA LYS 4 HA LYS 4 18.673 -7.154 1.820 302 HB2 LYS 4 HB3 LYS 4 19.802 -8.062 4.460 303 HB3 LYS 4 HB2 LYS 4 18.654 -9.026 3.544 304 HG2 LYS 4 HG3 LYS 4 20.209 -9.122 1.671 305 HG3 LYS 4 HG2 LYS 4 21.359 -8.125 2.560 306 HD2 LYS 4 HD3 LYS 4 21.973 -10.472 2.700 307 HD3 LYS 4 HD2 LYS 4 21.517 -9.857 4.288 308 HE2 LYS 4 HE3 LYS 4 20.576 -12.070 3.909 309 HE3 LYS 4 HE2 LYS 4 19.302 -10.863 4.044 310 HZ1 LYS 4 HZ1 LYS 4 19.111 -10.844 1.637 311 HZ2 LYS 4 HZ2 LYS 4 18.893 -12.410 2.231 312 HZ3 LYS 4 HZ3 LYS 4 20.352 -11.984 1.502 313 H GLN 5 H GLN 5 18.410 -5.740 5.020 314 HA GLN 5 HA GLN 5 15.730 -6.565 5.492 315 HB2 GLN 5 HB3 GLN 5 17.379 -4.353 6.722 316 HB3 GLN 5 HB2 GLN 5 15.789 -4.837 7.295 317 HG2 GLN 5 HG3 GLN 5 16.613 -7.039 7.841 318 HG3 GLN 5 HG2 GLN 5 18.193 -6.640 7.169 319 HE21 GLN 5 HE21 GLN 5 16.318 -4.350 9.008 320 HE22 GLN 5 HE22 GLN 5 17.346 -4.336 10.399 321 H LEU 6 H LEU 6 17.211 -3.603 4.247 322 HA LEU 6 HA LEU 6 14.831 -2.092 4.104 323 HB2 LEU 6 HB3 LEU 6 17.283 -1.323 4.005 324 HB3 LEU 6 HB2 LEU 6 17.219 -1.731 2.306 325 HG LEU 6 HG LEU 6 16.879 0.718 2.974 326 HD11 LEU 6 HD11 LEU 6 15.231 1.087 1.205 327 HD12 LEU 6 HD12 LEU 6 14.853 -0.636 1.207 328 HD13 LEU 6 HD13 LEU 6 16.460 -0.086 0.732 329 HD21 LEU 6 HD21 LEU 6 14.114 -0.297 3.609 330 HD22 LEU 6 HD22 LEU 6 14.640 1.386 3.586 331 HD23 LEU 6 HD23 LEU 6 15.284 0.277 4.796 332 H GLU 7 H GLU 7 16.443 -4.253 1.827 333 HA GLU 7 HA GLU 7 14.708 -3.773 -0.359 334 HB2 GLU 7 HB3 GLU 7 16.387 -6.186 0.325 335 HB3 GLU 7 HB2 GLU 7 15.537 -5.974 -1.198 336 HG2 GLU 7 HG3 GLU 7 16.848 -3.962 -1.646 337 HG3 GLU 7 HG2 GLU 7 17.712 -4.195 -0.127 338 H ASP 8 H ASP 8 14.465 -5.790 2.480 339 HA ASP 8 HA ASP 8 12.175 -7.238 1.525 340 HB2 ASP 8 HB3 ASP 8 13.619 -7.046 4.126 341 HB3 ASP 8 HB2 ASP 8 11.956 -7.626 4.146 342 H LYS 9 H LYS 9 12.743 -4.241 3.195 343 HA LYS 9 HA LYS 9 10.127 -3.847 4.204 344 HB2 LYS 9 HB3 LYS 9 12.174 -1.762 3.415 345 HB3 LYS 9 HB2 LYS 9 10.761 -1.487 4.425 346 HG2 LYS 9 HG3 LYS 9 13.069 -3.298 5.105 347 HG3 LYS 9 HG2 LYS 9 12.820 -1.669 5.733 348 HD2 LYS 9 HD3 LYS 9 10.781 -2.360 6.829 349 HD3 LYS 9 HD2 LYS 9 10.898 -3.965 6.106 350 HE2 LYS 9 HE3 LYS 9 11.643 -3.990 8.428 351 HE3 LYS 9 HE2 LYS 9 12.966 -4.376 7.330 352 HZ1 LYS 9 HZ1 LYS 9 13.799 -2.141 7.569 353 HZ2 LYS 9 HZ2 LYS 9 13.627 -2.841 9.097 354 HZ3 LYS 9 HZ3 LYS 9 12.492 -1.711 8.553 355 H VAL 10 H VAL 10 11.692 -2.874 1.169 356 HA VAL 10 HA VAL 10 9.458 -1.431 0.185 357 HB VAL 10 HB VAL 10 11.719 -1.044 -0.679 358 HG11 VAL 10 HG11 VAL 10 12.749 -2.587 -2.267 359 HG12 VAL 10 HG12 VAL 10 11.456 -3.750 -1.971 360 HG13 VAL 10 HG13 VAL 10 12.568 -3.316 -0.672 361 HG21 VAL 10 HG21 VAL 10 9.823 -0.378 -2.043 362 HG22 VAL 10 HG22 VAL 10 9.790 -1.969 -2.799 363 HG23 VAL 10 HG23 VAL 10 11.167 -0.898 -3.056 364 H GLU 11 H GLU 11 10.435 -4.803 -0.046 365 HA GLU 11 HA GLU 11 8.359 -5.530 -1.886 366 HB2 GLU 11 HB3 GLU 11 10.014 -7.212 0.005 367 HB3 GLU 11 HB2 GLU 11 8.918 -7.859 -1.208 368 HG2 GLU 11 HG3 GLU 11 10.243 -6.842 -2.973 369 HG3 GLU 11 HG2 GLU 11 11.330 -6.151 -1.770 370 H GLU 12 H GLU 12 8.735 -5.557 1.628 371 HA GLU 12 HA GLU 12 6.331 -6.785 2.313 372 HB2 GLU 12 HB3 GLU 12 8.153 -6.220 3.909 373 HB3 GLU 12 HB2 GLU 12 7.683 -4.529 3.804 374 HG2 GLU 12 HG3 GLU 12 5.525 -5.027 4.760 375 HG3 GLU 12 HG2 GLU 12 5.896 -6.750 4.771 376 H LEU 13 H LEU 13 6.960 -3.270 1.933 377 HA LEU 13 HA LEU 13 4.229 -2.585 2.185 378 HB2 LEU 13 HB3 LEU 13 6.549 -1.070 1.017 379 HB3 LEU 13 HB2 LEU 13 4.925 -0.408 1.115 380 HG LEU 13 HG LEU 13 5.928 -1.575 3.605 381 HD11 LEU 13 HD11 LEU 13 7.304 0.402 4.146 382 HD12 LEU 13 HD12 LEU 13 7.107 0.982 2.493 383 HD13 LEU 13 HD13 LEU 13 7.983 -0.517 2.803 384 HD21 LEU 13 HD21 LEU 13 4.862 0.407 4.543 385 HD22 LEU 13 HD22 LEU 13 3.781 -0.425 3.425 386 HD23 LEU 13 HD23 LEU 13 4.607 1.048 2.922 387 H LEU 14 H LEU 14 6.130 -3.522 -0.614 388 HA LEU 14 HA LEU 14 4.220 -2.898 -2.560 389 HB2 LEU 14 HB3 LEU 14 6.496 -3.538 -3.121 390 HB3 LEU 14 HB2 LEU 14 6.260 -5.128 -2.446 391 HG LEU 14 HG LEU 14 6.278 -4.898 -4.974 392 HD11 LEU 14 HD11 LEU 14 5.573 -6.914 -3.844 393 HD12 LEU 14 HD12 LEU 14 4.589 -6.618 -5.279 394 HD13 LEU 14 HD13 LEU 14 3.941 -6.266 -3.675 395 HD21 LEU 14 HD21 LEU 14 4.823 -2.935 -5.137 396 HD22 LEU 14 HD22 LEU 14 3.481 -3.883 -4.497 397 HD23 LEU 14 HD23 LEU 14 4.189 -4.298 -6.057 398 H SER 15 H SER 15 4.649 -5.800 -0.539 399 HA SER 15 HA SER 15 2.279 -7.020 -1.524 400 HB2 SER 15 HB3 SER 15 2.525 -8.521 0.508 401 HB3 SER 15 HB2 SER 15 3.872 -8.511 -0.623 402 HG SER 15 HG SER 15 4.072 -6.645 1.393 403 H LYS 16 H LYS 16 2.954 -4.849 1.235 404 HA LYS 16 HA LYS 16 0.427 -5.036 2.436 405 HB2 LYS 16 HB3 LYS 16 2.329 -2.710 2.194 406 HB3 LYS 16 HB2 LYS 16 0.839 -2.622 3.118 407 HG2 LYS 16 HG3 LYS 16 1.602 -4.451 4.539 408 HG3 LYS 16 HG2 LYS 16 3.097 -4.551 3.609 409 HD2 LYS 16 HD3 LYS 16 3.380 -3.305 5.713 410 HD3 LYS 16 HD2 LYS 16 3.711 -2.310 4.297 411 HE2 LYS 16 HE3 LYS 16 1.617 -1.192 4.492 412 HE3 LYS 16 HE2 LYS 16 1.052 -2.335 5.713 413 HZ1 LYS 16 HZ1 LYS 16 3.325 -0.459 6.066 414 HZ2 LYS 16 HZ2 LYS 16 2.684 -1.487 7.242 415 HZ3 LYS 16 HZ3 LYS 16 1.760 -0.200 6.651 416 H ASN 17 H ASN 17 1.536 -2.779 -0.083 417 HA ASN 17 HA ASN 17 -0.901 -1.534 -0.601 418 HB2 ASN 17 HB3 ASN 17 1.258 -0.720 -1.448 419 HB3 ASN 17 HB2 ASN 17 1.384 -2.123 -2.503 420 HD21 ASN 17 HD21 ASN 17 0.112 -2.231 -4.349 421 HD22 ASN 17 HD22 ASN 17 -0.720 -0.852 -4.975 422 H TYR 18 H TYR 18 0.487 -4.491 -1.960 423 HA TYR 18 HA TYR 18 -1.459 -4.915 -3.941 424 HB2 TYR 18 HB3 TYR 18 0.751 -6.051 -3.867 425 HB3 TYR 18 HB2 TYR 18 0.189 -6.999 -2.493 426 HD1 TYR 18 HD1 TYR 18 -0.447 -6.303 -6.081 427 HD2 TYR 18 HD2 TYR 18 -1.054 -8.974 -2.824 428 HE1 TYR 18 HE1 TYR 18 -1.372 -7.971 -7.629 429 HE2 TYR 18 HE2 TYR 18 -1.981 -10.649 -4.368 430 HH TYR 18 HH TYR 18 -3.004 -10.779 -6.542 431 H HIS 19 H HIS 19 -1.200 -6.172 -0.623 432 HA HIS 19 HA HIS 19 -3.627 -7.664 -0.762 433 HB2 HIS 19 HB3 HIS 19 -2.095 -6.657 1.643 434 HB3 HIS 19 HB2 HIS 19 -3.427 -7.801 1.712 435 HD1 HIS 19 HD1 HIS 19 -0.312 -8.223 2.522 436 HD2 HIS 19 HD2 HIS 19 -2.299 -9.710 -0.811 437 HE1 HIS 19 HE1 HIS 19 1.001 -10.241 1.794 438 HE2 HIS 19 HE2 HIS 19 -0.120 -11.007 -0.328 439 H LEU 20 H LEU 20 -2.802 -4.395 0.116 440 HA LEU 20 HA LEU 20 -5.274 -3.739 1.348 441 HB2 LEU 20 HB3 LEU 20 -3.142 -2.589 1.771 442 HB3 LEU 20 HB2 LEU 20 -3.134 -2.007 0.121 443 HG LEU 20 HG LEU 20 -5.160 -0.709 0.586 444 HD11 LEU 20 HD11 LEU 20 -4.753 -1.680 3.411 445 HD12 LEU 20 HD12 LEU 20 -6.123 -2.047 2.364 446 HD13 LEU 20 HD13 LEU 20 -5.861 -0.398 2.927 447 HD21 LEU 20 HD21 LEU 20 -2.905 0.243 0.803 448 HD22 LEU 20 HD22 LEU 20 -2.904 -0.195 2.511 449 HD23 LEU 20 HD23 LEU 20 -4.054 0.992 1.906 450 H GLU 21 H GLU 21 -3.976 -3.565 -1.917 451 HA GLU 21 HA GLU 21 -6.128 -2.155 -3.101 452 HB2 GLU 21 HB3 GLU 21 -3.914 -2.563 -4.179 453 HB3 GLU 21 HB2 GLU 21 -4.346 -4.256 -4.357 454 HG2 GLU 21 HG3 GLU 21 -6.181 -3.661 -5.821 455 HG3 GLU 21 HG2 GLU 21 -5.823 -1.949 -5.599 456 H ASN 22 H ASN 22 -5.615 -5.513 -2.286 457 HA ASN 22 HA ASN 22 -7.926 -6.560 -3.531 458 HB2 ASN 22 HB3 ASN 22 -6.083 -7.493 -1.378 459 HB3 ASN 22 HB2 ASN 22 -7.627 -8.316 -1.580 460 HD21 ASN 22 HD21 ASN 22 -4.557 -7.572 -3.074 461 HD22 ASN 22 HD22 ASN 22 -4.654 -8.787 -4.301 462 H GLU 23 H GLU 23 -7.360 -4.799 -0.626 463 HA GLU 23 HA GLU 23 -9.790 -5.537 0.695 464 HB2 GLU 23 HB3 GLU 23 -7.712 -4.823 1.885 465 HB3 GLU 23 HB2 GLU 23 -7.967 -3.185 1.248 466 HG2 GLU 23 HG3 GLU 23 -10.025 -2.987 2.480 467 HG3 GLU 23 HG2 GLU 23 -9.906 -4.660 3.024 468 H VAL 24 H VAL 24 -8.746 -2.927 -1.418 469 HA VAL 24 HA VAL 24 -11.098 -1.349 -1.123 470 HB VAL 24 HB VAL 24 -9.348 -1.473 -3.590 471 HG11 VAL 24 HG11 VAL 24 -11.475 -0.277 -3.848 472 HG12 VAL 24 HG12 VAL 24 -10.097 0.818 -3.947 473 HG13 VAL 24 HG13 VAL 24 -11.064 0.752 -2.473 474 HG21 VAL 24 HG21 VAL 24 -7.972 -1.102 -1.578 475 HG22 VAL 24 HG22 VAL 24 -8.977 0.289 -1.172 476 HG23 VAL 24 HG23 VAL 24 -8.007 0.303 -2.642 477 H ALA 25 H ALA 25 -10.153 -4.035 -3.163 478 HA ALA 25 HA ALA 25 -12.241 -3.861 -5.042 479 HB1 ALA 25 HB1 ALA 25 -10.165 -5.163 -5.377 480 HB2 ALA 25 HB2 ALA 25 -11.632 -6.073 -5.731 481 HB3 ALA 25 HB3 ALA 25 -10.767 -6.352 -4.222 482 H ARG 26 H ARG 26 -11.965 -5.731 -2.018 483 HA ARG 26 HA ARG 26 -14.377 -7.118 -2.312 484 HB2 ARG 26 HB3 ARG 26 -14.257 -7.292 0.228 485 HB3 ARG 26 HB2 ARG 26 -12.943 -7.991 -0.695 486 HG2 ARG 26 HG3 ARG 26 -11.613 -5.961 -0.233 487 HG3 ARG 26 HG2 ARG 26 -12.921 -5.368 0.796 488 HD2 ARG 26 HD2 ARG 26 -11.206 -6.440 2.138 489 HD3 ARG 26 HD1 ARG 26 -12.700 -7.375 2.195 490 HE ARG 26 HE ARG 26 -11.163 -8.427 0.135 491 HH11 ARG 26 HH11 ARG 26 -10.945 -8.075 3.608 492 HH12 ARG 26 HH12 ARG 26 -9.972 -9.496 3.818 493 HH21 ARG 26 HH21 ARG 26 -9.903 -10.298 0.400 494 HH22 ARG 26 HH22 ARG 26 -9.392 -10.772 1.990 495 H LEU 27 H LEU 27 -13.686 -4.009 -0.748 496 HA LEU 27 HA LEU 27 -16.311 -3.505 0.124 497 HB2 LEU 27 HB3 LEU 27 -13.978 -1.755 -0.516 498 HB3 LEU 27 HB2 LEU 27 -15.549 -1.027 -0.267 499 HG LEU 27 HG LEU 27 -15.657 -1.968 1.985 500 HD11 LEU 27 HD11 LEU 27 -13.631 -2.965 2.986 501 HD12 LEU 27 HD12 LEU 27 -12.914 -3.043 1.374 502 HD13 LEU 27 HD13 LEU 27 -14.364 -3.978 1.739 503 HD21 LEU 27 HD21 LEU 27 -14.758 0.230 1.740 504 HD22 LEU 27 HD22 LEU 27 -13.164 -0.420 1.364 505 HD23 LEU 27 HD23 LEU 27 -13.843 -0.631 2.977 506 H LYS 28 H LYS 28 -14.741 -2.958 -2.984 507 HA LYS 28 HA LYS 28 -16.786 -1.481 -4.198 508 HB2 LYS 28 HB3 LYS 28 -14.735 -3.342 -5.385 509 HB3 LYS 28 HB2 LYS 28 -15.846 -2.391 -6.363 510 HG2 LYS 28 HG3 LYS 28 -14.957 -0.339 -5.397 511 HG3 LYS 28 HG2 LYS 28 -13.862 -1.284 -4.391 512 HD2 LYS 28 HD3 LYS 28 -12.717 -0.375 -6.339 513 HD3 LYS 28 HD2 LYS 28 -12.750 -2.140 -6.385 514 HE2 LYS 28 HE3 LYS 28 -14.647 -2.052 -7.942 515 HE3 LYS 28 HE2 LYS 28 -14.593 -0.291 -7.898 516 HZ1 LYS 28 HZ1 LYS 28 -12.362 -0.380 -8.830 517 HZ2 LYS 28 HZ2 LYS 28 -13.472 -1.149 -9.846 518 HZ3 LYS 28 HZ3 LYS 28 -12.432 -2.069 -8.886 519 H LYS 29 H LYS 29 -16.564 -4.943 -3.614 520 HA LYS 29 HA LYS 29 -18.773 -5.586 -5.299 521 HB2 LYS 29 HB3 LYS 29 -17.300 -7.038 -3.130 522 HB3 LYS 29 HB2 LYS 29 -18.831 -7.658 -3.706 523 HG2 LYS 29 HG3 LYS 29 -17.008 -8.786 -4.802 524 HG3 LYS 29 HG2 LYS 29 -17.898 -7.829 -5.980 525 HD2 LYS 29 HD3 LYS 29 -16.195 -6.097 -5.882 526 HD3 LYS 29 HD2 LYS 29 -15.331 -6.994 -4.631 527 HE2 LYS 29 HE3 LYS 29 -15.821 -7.903 -7.464 528 HE3 LYS 29 HE2 LYS 29 -14.293 -7.318 -6.809 529 HZ1 LYS 29 HZ1 LYS 29 -14.279 -9.200 -5.279 530 HZ2 LYS 29 HZ2 LYS 29 -14.335 -9.721 -6.887 531 HZ3 LYS 29 HZ3 LYS 29 -15.730 -9.765 -5.937 532 H LEU 30 H LEU 30 -18.392 -4.442 -2.051 533 HA LEU 30 HA LEU 30 -21.127 -4.955 -1.312 534 HB2 LEU 30 HB3 LEU 30 -18.814 -3.555 -0.058 535 HB3 LEU 30 HB2 LEU 30 -20.423 -3.201 0.534 536 HG LEU 30 HG LEU 30 -19.250 -4.894 1.892 537 HD11 LEU 30 HD11 LEU 30 -21.055 -6.439 2.099 538 HD12 LEU 30 HD12 LEU 30 -21.604 -6.105 0.460 539 HD13 LEU 30 HD13 LEU 30 -21.731 -4.858 1.702 540 HD21 LEU 30 HD21 LEU 30 -19.382 -6.584 -0.600 541 HD22 LEU 30 HD22 LEU 30 -18.901 -7.146 1.002 542 HD23 LEU 30 HD23 LEU 30 -17.920 -5.948 0.158 543 H VAL 31 H VAL 31 -19.312 -2.325 -2.717 544 HA VAL 31 HA VAL 31 -21.510 -0.458 -2.427 545 HB VAL 31 HB VAL 31 -18.944 -0.068 -3.989 546 HG11 VAL 31 HG11 VAL 31 -20.921 1.927 -2.890 547 HG12 VAL 31 HG12 VAL 31 -20.730 1.488 -4.588 548 HG13 VAL 31 HG13 VAL 31 -19.421 2.310 -3.737 549 HG21 VAL 31 HG21 VAL 31 -19.570 0.680 -1.136 550 HG22 VAL 31 HG22 VAL 31 -18.109 1.117 -2.024 551 HG23 VAL 31 HG23 VAL 31 -18.445 -0.575 -1.658 552 H GLY 32 H GLY 32 -20.207 -2.586 -4.889 553 HA2 GLY 32 HA3 GLY 32 -22.262 -1.580 -6.744 554 HA3 GLY 32 HA2 GLY 32 -20.612 -1.827 -7.285 555 H GLU 33 H GLU 33 -20.093 -4.266 -5.938 556 HA GLU 33 HA GLU 33 -20.272 -6.506 -6.213 557 HB2 GLU 33 HB3 GLU 33 -22.532 -6.220 -5.259 558 HB3 GLU 33 HB2 GLU 33 -23.171 -5.949 -6.872 559 HG2 GLU 33 HG3 GLU 33 -22.576 -8.207 -7.517 560 HG3 GLU 33 HG2 GLU 33 -21.846 -8.485 -5.935 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 21.431 -1.797 5.653 2 H2 GLY 1 H2 GLY 1 23.089 -1.578 5.387 3 H3 GLY 1 H3 GLY 1 21.993 -1.389 4.112 4 HA2 GLY 1 HA2 GLY 1 22.094 0.324 6.524 5 HA3 GLY 1 HA3 GLY 1 22.789 0.747 4.966 6 H SER 2 H SER 2 21.283 2.615 5.347 7 HA SER 2 HA SER 2 18.669 1.960 4.159 8 HB2 SER 2 HB3 SER 2 19.258 4.169 6.147 9 HB3 SER 2 HB2 SER 2 17.697 3.857 5.392 10 HG SER 2 HG SER 2 18.984 1.789 6.795 11 H MET 3 H MET 3 20.653 4.847 4.786 12 HA MET 3 HA MET 3 21.004 6.717 3.568 13 HB2 MET 3 HB3 MET 3 22.331 6.342 1.535 14 HB3 MET 3 HB2 MET 3 22.863 5.326 2.861 15 HG2 MET 3 HG3 MET 3 20.953 4.194 0.881 16 HG3 MET 3 HG2 MET 3 22.638 4.405 0.414 17 HE1 MET 3 HE1 MET 3 21.064 1.606 0.466 18 HE2 MET 3 HE2 MET 3 22.292 0.544 1.159 19 HE3 MET 3 HE3 MET 3 22.746 1.749 -0.046 20 H LYS 4 H LYS 4 20.971 7.011 0.701 21 HA LYS 4 HA LYS 4 18.326 8.023 0.500 22 HB2 LYS 4 HB3 LYS 4 20.269 9.141 -0.526 23 HB3 LYS 4 HB2 LYS 4 20.461 7.787 -1.628 24 HG2 LYS 4 HG3 LYS 4 18.253 8.264 -2.583 25 HG3 LYS 4 HG2 LYS 4 18.100 9.647 -1.500 26 HD2 LYS 4 HD3 LYS 4 20.249 9.288 -3.589 27 HD3 LYS 4 HD2 LYS 4 18.820 10.305 -3.759 28 HE2 LYS 4 HE3 LYS 4 21.016 10.640 -1.718 29 HE3 LYS 4 HE2 LYS 4 20.767 11.635 -3.150 30 HZ1 LYS 4 HZ1 LYS 4 19.891 12.721 -1.199 31 HZ2 LYS 4 HZ2 LYS 4 18.907 11.393 -0.849 32 HZ3 LYS 4 HZ3 LYS 4 18.619 12.312 -2.236 33 H GLN 5 H GLN 5 19.965 5.191 -0.715 34 HA GLN 5 HA GLN 5 18.279 4.477 -2.807 35 HB2 GLN 5 HB3 GLN 5 19.694 2.555 -0.957 36 HB3 GLN 5 HB2 GLN 5 19.183 2.247 -2.609 37 HG2 GLN 5 HG3 GLN 5 20.759 4.046 -3.337 38 HG3 GLN 5 HG2 GLN 5 21.354 4.103 -1.683 39 HE21 GLN 5 HE21 GLN 5 23.407 3.456 -2.212 40 HE22 GLN 5 HE22 GLN 5 23.781 1.846 -2.716 41 H LEU 6 H LEU 6 18.197 3.264 0.549 42 HA LEU 6 HA LEU 6 15.891 1.687 0.136 43 HB2 LEU 6 HB3 LEU 6 17.295 2.692 2.590 44 HB3 LEU 6 HB2 LEU 6 15.760 1.862 2.740 45 HG LEU 6 HG LEU 6 17.617 0.342 3.150 46 HD11 LEU 6 HD11 LEU 6 15.643 -0.629 2.207 47 HD12 LEU 6 HD12 LEU 6 17.058 -1.405 1.497 48 HD13 LEU 6 HD13 LEU 6 16.158 -0.201 0.580 49 HD21 LEU 6 HD21 LEU 6 19.336 1.414 1.810 50 HD22 LEU 6 HD22 LEU 6 18.482 0.970 0.333 51 HD23 LEU 6 HD23 LEU 6 19.167 -0.284 1.365 52 H GLU 7 H GLU 7 16.318 4.912 1.562 53 HA GLU 7 HA GLU 7 13.664 5.297 2.370 54 HB2 GLU 7 HB3 GLU 7 15.735 7.326 1.523 55 HB3 GLU 7 HB2 GLU 7 14.213 7.731 2.305 56 HG2 GLU 7 HG3 GLU 7 14.892 6.393 4.257 57 HG3 GLU 7 HG2 GLU 7 16.439 6.074 3.472 58 H ASP 8 H ASP 8 15.221 5.884 -0.738 59 HA ASP 8 HA ASP 8 12.932 7.292 -1.785 60 HB2 ASP 8 HB3 ASP 8 15.593 6.493 -2.887 61 HB3 ASP 8 HB2 ASP 8 14.309 6.981 -3.988 62 H LYS 9 H LYS 9 13.709 4.026 -1.412 63 HA LYS 9 HA LYS 9 11.860 3.285 -3.561 64 HB2 LYS 9 HB3 LYS 9 14.006 1.873 -2.125 65 HB3 LYS 9 HB2 LYS 9 12.575 0.910 -2.462 66 HG2 LYS 9 HG3 LYS 9 14.149 0.617 -4.244 67 HG3 LYS 9 HG2 LYS 9 12.766 1.529 -4.848 68 HD2 LYS 9 HD3 LYS 9 14.049 3.614 -4.561 69 HD3 LYS 9 HD2 LYS 9 15.439 2.666 -4.028 70 HE2 LYS 9 HE3 LYS 9 15.451 1.504 -6.196 71 HE3 LYS 9 HE2 LYS 9 14.093 2.498 -6.722 72 HZ1 LYS 9 HZ1 LYS 9 16.164 3.376 -7.554 73 HZ2 LYS 9 HZ2 LYS 9 16.794 3.481 -5.989 74 HZ3 LYS 9 HZ3 LYS 9 15.492 4.459 -6.442 75 H VAL 10 H VAL 10 12.348 2.493 -0.117 76 HA VAL 10 HA VAL 10 9.917 1.052 0.062 77 HB VAL 10 HB VAL 10 11.892 0.669 1.501 78 HG11 VAL 10 HG11 VAL 10 12.187 2.018 3.528 79 HG12 VAL 10 HG12 VAL 10 10.981 3.158 2.929 80 HG13 VAL 10 HG13 VAL 10 12.499 2.942 2.058 81 HG21 VAL 10 HG21 VAL 10 9.292 1.170 2.924 82 HG22 VAL 10 HG22 VAL 10 10.609 0.164 3.526 83 HG23 VAL 10 HG23 VAL 10 9.751 -0.294 2.054 84 H GLU 11 H GLU 11 10.757 4.382 0.962 85 HA GLU 11 HA GLU 11 8.140 4.848 2.090 86 HB2 GLU 11 HB3 GLU 11 10.181 5.982 2.951 87 HB3 GLU 11 HB2 GLU 11 10.326 6.833 1.421 88 HG2 GLU 11 HG3 GLU 11 8.265 7.996 1.809 89 HG3 GLU 11 HG2 GLU 11 7.954 7.045 3.260 90 H GLU 12 H GLU 12 9.849 5.507 -0.905 91 HA GLU 12 HA GLU 12 7.984 7.115 -2.196 92 HB2 GLU 12 HB3 GLU 12 10.307 6.302 -2.990 93 HB3 GLU 12 HB2 GLU 12 9.450 4.903 -3.614 94 HG2 GLU 12 HG3 GLU 12 8.788 7.736 -4.376 95 HG3 GLU 12 HG2 GLU 12 9.912 6.720 -5.271 96 H LEU 13 H LEU 13 8.200 3.527 -2.253 97 HA LEU 13 HA LEU 13 5.618 3.297 -3.416 98 HB2 LEU 13 HB3 LEU 13 7.637 1.415 -2.407 99 HB3 LEU 13 HB2 LEU 13 5.974 0.847 -2.371 100 HG LEU 13 HG LEU 13 5.887 1.708 -4.810 101 HD11 LEU 13 HD11 LEU 13 8.859 1.329 -4.415 102 HD12 LEU 13 HD12 LEU 13 8.034 2.840 -4.807 103 HD13 LEU 13 HD13 LEU 13 8.054 1.519 -5.975 104 HD21 LEU 13 HD21 LEU 13 7.324 -0.805 -3.960 105 HD22 LEU 13 HD22 LEU 13 6.802 -0.487 -5.613 106 HD23 LEU 13 HD23 LEU 13 5.607 -0.610 -4.322 107 H LEU 14 H LEU 14 6.520 4.017 -0.239 108 HA LEU 14 HA LEU 14 4.250 2.867 1.041 109 HB2 LEU 14 HB3 LEU 14 6.299 3.595 2.257 110 HB3 LEU 14 HB2 LEU 14 5.898 5.258 1.881 111 HG LEU 14 HG LEU 14 3.608 4.394 3.114 112 HD11 LEU 14 HD11 LEU 14 5.959 3.051 4.424 113 HD12 LEU 14 HD12 LEU 14 4.510 2.279 3.778 114 HD13 LEU 14 HD13 LEU 14 4.399 3.309 5.202 115 HD21 LEU 14 HD21 LEU 14 4.391 5.690 5.023 116 HD22 LEU 14 HD22 LEU 14 4.747 6.500 3.498 117 HD23 LEU 14 HD23 LEU 14 6.030 5.663 4.371 118 H SER 15 H SER 15 4.738 5.514 -1.056 119 HA SER 15 HA SER 15 2.722 7.268 -0.399 120 HB2 SER 15 HB3 SER 15 2.529 7.760 -2.821 121 HB3 SER 15 HB2 SER 15 4.205 7.673 -2.284 122 HG SER 15 HG SER 15 4.506 5.880 -3.400 123 H LYS 16 H LYS 16 2.365 4.188 -2.244 124 HA LYS 16 HA LYS 16 -0.422 4.492 -2.616 125 HB2 LYS 16 HB3 LYS 16 -0.496 2.129 -3.160 126 HB3 LYS 16 HB2 LYS 16 0.940 2.845 -3.881 127 HG2 LYS 16 HG3 LYS 16 2.330 1.896 -2.166 128 HG3 LYS 16 HG2 LYS 16 0.913 1.276 -1.314 129 HD2 LYS 16 HD3 LYS 16 0.497 -0.345 -2.920 130 HD3 LYS 16 HD2 LYS 16 1.407 0.513 -4.164 131 HE2 LYS 16 HE3 LYS 16 2.590 -0.837 -1.740 132 HE3 LYS 16 HE2 LYS 16 2.595 -1.491 -3.382 133 HZ1 LYS 16 HZ1 LYS 16 3.894 1.032 -2.513 134 HZ2 LYS 16 HZ2 LYS 16 3.867 0.434 -4.095 135 HZ3 LYS 16 HZ3 LYS 16 4.681 -0.421 -2.884 136 H ASN 17 H ASN 17 1.226 3.895 0.305 137 HA ASN 17 HA ASN 17 -0.637 2.230 1.638 138 HB2 ASN 17 HB3 ASN 17 1.729 2.959 2.398 139 HB3 ASN 17 HB2 ASN 17 0.949 4.421 2.981 140 HD21 ASN 17 HD21 ASN 17 2.364 2.406 4.467 141 HD22 ASN 17 HD22 ASN 17 1.259 1.748 5.618 142 H TYR 18 H TYR 18 -0.274 5.714 1.358 143 HA TYR 18 HA TYR 18 -2.615 6.320 2.898 144 HB2 TYR 18 HB3 TYR 18 -1.078 8.141 1.032 145 HB3 TYR 18 HB2 TYR 18 -2.166 8.627 2.327 146 HD1 TYR 18 HD1 TYR 18 -1.483 8.166 4.714 147 HD2 TYR 18 HD2 TYR 18 1.202 7.742 1.445 148 HE1 TYR 18 HE1 TYR 18 0.419 8.277 6.269 149 HE2 TYR 18 HE2 TYR 18 3.112 7.850 2.988 150 HH TYR 18 HH TYR 18 2.762 7.596 6.369 151 H HIS 19 H HIS 19 -1.746 6.126 -0.501 152 HA HIS 19 HA HIS 19 -4.077 7.288 -1.563 153 HB2 HIS 19 HB3 HIS 19 -2.211 5.252 -2.790 154 HB3 HIS 19 HB2 HIS 19 -3.456 6.122 -3.673 155 HD1 HIS 19 HD1 HIS 19 -0.659 6.460 -4.669 156 HD2 HIS 19 HD2 HIS 19 -2.278 8.898 -1.720 157 HE1 HIS 19 HE1 HIS 19 0.702 8.570 -4.715 158 HE2 HIS 19 HE2 HIS 19 -0.395 10.088 -3.032 159 H LEU 20 H LEU 20 -3.207 3.859 -1.155 160 HA LEU 20 HA LEU 20 -5.711 2.867 -2.010 161 HB2 LEU 20 HB3 LEU 20 -3.255 1.790 -0.856 162 HB3 LEU 20 HB2 LEU 20 -4.687 0.930 -0.336 163 HG LEU 20 HG LEU 20 -3.567 -0.062 -2.333 164 HD11 LEU 20 HD11 LEU 20 -5.607 -0.428 -3.602 165 HD12 LEU 20 HD12 LEU 20 -6.363 0.953 -2.808 166 HD13 LEU 20 HD13 LEU 20 -5.933 -0.477 -1.870 167 HD21 LEU 20 HD21 LEU 20 -2.849 1.999 -3.418 168 HD22 LEU 20 HD22 LEU 20 -4.532 2.444 -3.698 169 HD23 LEU 20 HD23 LEU 20 -3.852 1.030 -4.497 170 H GLU 21 H GLU 21 -4.463 3.841 1.144 171 HA GLU 21 HA GLU 21 -6.572 2.748 2.682 172 HB2 GLU 21 HB3 GLU 21 -4.384 3.623 3.578 173 HB3 GLU 21 HB2 GLU 21 -5.007 5.248 3.334 174 HG2 GLU 21 HG3 GLU 21 -6.840 4.779 4.877 175 HG3 GLU 21 HG2 GLU 21 -6.213 3.150 5.124 176 H ASN 22 H ASN 22 -6.150 5.843 1.044 177 HA ASN 22 HA ASN 22 -8.543 7.031 1.974 178 HB2 ASN 22 HB3 ASN 22 -6.616 7.616 -0.216 179 HB3 ASN 22 HB2 ASN 22 -8.201 8.376 -0.291 180 HD21 ASN 22 HD21 ASN 22 -5.212 8.149 1.459 181 HD22 ASN 22 HD22 ASN 22 -5.445 9.560 2.433 182 H GLU 23 H GLU 23 -7.887 4.689 -0.467 183 HA GLU 23 HA GLU 23 -10.356 5.068 -1.894 184 HB2 GLU 23 HB3 GLU 23 -8.516 2.657 -1.899 185 HB3 GLU 23 HB2 GLU 23 -9.789 3.020 -3.084 186 HG2 GLU 23 HG3 GLU 23 -7.217 4.525 -2.638 187 HG3 GLU 23 HG2 GLU 23 -7.652 3.538 -4.031 188 H VAL 24 H VAL 24 -9.102 2.750 0.489 189 HA VAL 24 HA VAL 24 -11.433 1.185 0.667 190 HB VAL 24 HB VAL 24 -9.368 1.618 2.844 191 HG11 VAL 24 HG11 VAL 24 -10.076 -0.520 3.702 192 HG12 VAL 24 HG12 VAL 24 -11.216 -0.722 2.371 193 HG13 VAL 24 HG13 VAL 24 -11.479 0.541 3.577 194 HG21 VAL 24 HG21 VAL 24 -8.272 -0.365 1.970 195 HG22 VAL 24 HG22 VAL 24 -8.334 0.907 0.750 196 HG23 VAL 24 HG23 VAL 24 -9.451 -0.455 0.664 197 H ALA 25 H ALA 25 -10.382 4.071 2.395 198 HA ALA 25 HA ALA 25 -12.454 4.024 4.337 199 HB1 ALA 25 HB1 ALA 25 -10.295 5.241 4.583 200 HB2 ALA 25 HB2 ALA 25 -11.723 6.201 4.970 201 HB3 ALA 25 HB3 ALA 25 -10.899 6.432 3.431 202 H ARG 26 H ARG 26 -12.256 5.306 1.086 203 HA ARG 26 HA ARG 26 -14.499 7.046 1.328 204 HB2 ARG 26 HB3 ARG 26 -14.129 7.593 -0.857 205 HB3 ARG 26 HB2 ARG 26 -12.573 6.877 -0.486 206 HG2 ARG 26 HG3 ARG 26 -13.249 4.789 -1.546 207 HG3 ARG 26 HG2 ARG 26 -14.841 5.482 -1.892 208 HD2 ARG 26 HD2 ARG 26 -13.709 7.268 -3.201 209 HD3 ARG 26 HD1 ARG 26 -12.180 6.432 -2.941 210 HE ARG 26 HE ARG 26 -14.125 4.708 -4.101 211 HH11 ARG 26 HH11 ARG 26 -11.893 7.299 -4.838 212 HH12 ARG 26 HH12 ARG 26 -11.727 6.857 -6.509 213 HH21 ARG 26 HH21 ARG 26 -13.904 4.118 -6.302 214 HH22 ARG 26 HH22 ARG 26 -12.861 5.043 -7.337 215 H LEU 27 H LEU 27 -14.040 3.748 0.231 216 HA LEU 27 HA LEU 27 -16.736 3.245 -0.459 217 HB2 LEU 27 HB3 LEU 27 -14.492 1.421 0.348 218 HB3 LEU 27 HB2 LEU 27 -16.059 0.839 -0.171 219 HG LEU 27 HG LEU 27 -14.764 2.736 -2.002 220 HD11 LEU 27 HD11 LEU 27 -12.864 1.399 -1.167 221 HD12 LEU 27 HD12 LEU 27 -13.194 1.175 -2.887 222 HD13 LEU 27 HD13 LEU 27 -13.697 -0.049 -1.726 223 HD21 LEU 27 HD21 LEU 27 -16.111 0.068 -2.352 224 HD22 LEU 27 HD22 LEU 27 -15.589 1.131 -3.658 225 HD23 LEU 27 HD23 LEU 27 -16.861 1.651 -2.555 226 H LYS 28 H LYS 28 -14.967 3.014 2.577 227 HA LYS 28 HA LYS 28 -16.803 1.763 4.209 228 HB2 LYS 28 HB3 LYS 28 -15.006 4.121 4.741 229 HB3 LYS 28 HB2 LYS 28 -16.007 3.416 5.999 230 HG2 LYS 28 HG3 LYS 28 -13.938 1.901 4.425 231 HG3 LYS 28 HG2 LYS 28 -13.662 2.627 6.010 232 HD2 LYS 28 HD3 LYS 28 -15.629 1.249 6.825 233 HD3 LYS 28 HD2 LYS 28 -15.530 0.380 5.292 234 HE2 LYS 28 HE3 LYS 28 -13.312 0.635 7.320 235 HE3 LYS 28 HE2 LYS 28 -14.330 -0.783 7.084 236 HZ1 LYS 28 HZ1 LYS 28 -12.217 -1.034 5.969 237 HZ2 LYS 28 HZ2 LYS 28 -12.479 0.377 5.078 238 HZ3 LYS 28 HZ3 LYS 28 -13.468 -0.976 4.834 239 H LYS 29 H LYS 29 -16.810 5.128 3.110 240 HA LYS 29 HA LYS 29 -19.163 5.819 4.574 241 HB2 LYS 29 HB3 LYS 29 -17.632 7.191 2.374 242 HB3 LYS 29 HB2 LYS 29 -19.068 7.874 3.108 243 HG2 LYS 29 HG3 LYS 29 -16.569 7.148 4.615 244 HG3 LYS 29 HG2 LYS 29 -16.953 8.766 4.026 245 HD2 LYS 29 HD3 LYS 29 -18.621 7.176 5.979 246 HD3 LYS 29 HD2 LYS 29 -17.509 8.475 6.410 247 HE2 LYS 29 HE3 LYS 29 -18.835 10.033 5.035 248 HE3 LYS 29 HE2 LYS 29 -19.961 8.729 4.670 249 HZ1 LYS 29 HZ1 LYS 29 -20.503 8.573 7.009 250 HZ2 LYS 29 HZ2 LYS 29 -20.760 10.153 6.459 251 HZ3 LYS 29 HZ3 LYS 29 -19.392 9.792 7.383 252 H LEU 30 H LEU 30 -18.533 4.390 1.491 253 HA LEU 30 HA LEU 30 -21.101 5.074 0.377 254 HB2 LEU 30 HB3 LEU 30 -19.042 3.068 -0.541 255 HB3 LEU 30 HB2 LEU 30 -20.471 3.533 -1.444 256 HG LEU 30 HG LEU 30 -18.188 5.372 -0.718 257 HD11 LEU 30 HD11 LEU 30 -18.970 4.133 -3.351 258 HD12 LEU 30 HD12 LEU 30 -17.540 3.742 -2.395 259 HD13 LEU 30 HD13 LEU 30 -17.707 5.341 -3.119 260 HD21 LEU 30 HD21 LEU 30 -20.653 5.839 -2.392 261 HD22 LEU 30 HD22 LEU 30 -19.299 6.957 -2.233 262 HD23 LEU 30 HD23 LEU 30 -20.294 6.573 -0.829 263 H VAL 31 H VAL 31 -19.641 2.275 1.948 264 HA VAL 31 HA VAL 31 -22.044 0.691 1.666 265 HB VAL 31 HB VAL 31 -19.626 0.116 3.401 266 HG11 VAL 31 HG11 VAL 31 -20.370 -2.206 3.267 267 HG12 VAL 31 HG12 VAL 31 -21.779 -1.702 2.334 268 HG13 VAL 31 HG13 VAL 31 -21.597 -1.178 4.009 269 HG21 VAL 31 HG21 VAL 31 -18.943 0.388 1.087 270 HG22 VAL 31 HG22 VAL 31 -20.196 -0.740 0.570 271 HG23 VAL 31 HG23 VAL 31 -18.855 -1.306 1.566 272 H GLY 32 H GLY 32 -20.604 2.815 4.029 273 HA2 GLY 32 HA3 GLY 32 -22.397 1.888 6.133 274 HA3 GLY 32 HA2 GLY 32 -21.101 3.060 6.308 275 H GLU 33 H GLU 33 -21.735 4.850 4.311 276 HA GLU 33 HA GLU 33 -22.905 6.743 3.961 277 HB2 GLU 33 HB3 GLU 33 -25.286 5.002 4.634 278 HB3 GLU 33 HB2 GLU 33 -25.365 6.585 3.874 279 HG2 GLU 33 HG3 GLU 33 -24.121 5.736 1.955 280 HG3 GLU 33 HG2 GLU 33 -24.025 4.150 2.718 281 H1 GLY 1 H1 GLY 1 21.418 1.549 -6.402 282 H2 GLY 1 H2 GLY 1 23.070 1.321 -6.121 283 H3 GLY 1 H3 GLY 1 21.964 1.152 -4.851 284 HA2 GLY 1 HA2 GLY 1 22.058 -0.583 -7.251 285 HA3 GLY 1 HA3 GLY 1 22.753 -0.997 -5.690 286 H SER 2 H SER 2 21.240 -2.857 -6.046 287 HA SER 2 HA SER 2 18.633 -2.190 -4.854 288 HB2 SER 2 HB3 SER 2 19.216 -4.404 -6.839 289 HB3 SER 2 HB2 SER 2 17.663 -4.113 -6.057 290 HG SER 2 HG SER 2 18.916 -2.053 -7.512 291 H MET 3 H MET 3 20.608 -5.090 -5.471 292 HA MET 3 HA MET 3 20.968 -6.947 -4.239 293 HB2 MET 3 HB3 MET 3 22.302 -6.554 -2.212 294 HB3 MET 3 HB2 MET 3 22.831 -5.553 -3.550 295 HG2 MET 3 HG3 MET 3 20.929 -4.400 -1.577 296 HG3 MET 3 HG2 MET 3 22.615 -4.609 -1.113 297 HE1 MET 3 HE1 MET 3 21.051 -1.807 -1.184 298 HE2 MET 3 HE2 MET 3 22.281 -0.757 -1.889 299 HE3 MET 3 HE3 MET 3 22.733 -1.956 -0.677 300 H LYS 4 H LYS 4 20.946 -7.217 -1.368 301 HA LYS 4 HA LYS 4 18.299 -8.223 -1.147 302 HB2 LYS 4 HB3 LYS 4 20.244 -9.333 -0.117 303 HB3 LYS 4 HB2 LYS 4 20.443 -7.968 0.972 304 HG2 LYS 4 HG3 LYS 4 18.238 -8.436 1.942 305 HG3 LYS 4 HG2 LYS 4 18.075 -9.825 0.868 306 HD2 LYS 4 HD3 LYS 4 20.236 -9.459 2.942 307 HD3 LYS 4 HD2 LYS 4 18.806 -10.473 3.126 308 HE2 LYS 4 HE3 LYS 4 20.989 -10.823 1.073 309 HE3 LYS 4 HE2 LYS 4 20.750 -11.809 2.513 310 HZ1 LYS 4 HZ1 LYS 4 19.859 -12.907 0.579 311 HZ2 LYS 4 HZ2 LYS 4 18.873 -11.583 0.224 312 HZ3 LYS 4 HZ3 LYS 4 18.595 -12.488 1.620 313 H GLN 5 H GLN 5 19.948 -5.386 0.041 314 HA GLN 5 HA GLN 5 18.268 -4.652 2.129 315 HB2 GLN 5 HB3 GLN 5 19.683 -2.747 0.259 316 HB3 GLN 5 HB2 GLN 5 19.178 -2.426 1.912 317 HG2 GLN 5 HG3 GLN 5 20.749 -4.218 2.654 318 HG3 GLN 5 HG2 GLN 5 21.339 -4.300 0.996 319 HE21 GLN 5 HE21 GLN 5 23.399 -3.652 1.510 320 HE22 GLN 5 HE22 GLN 5 23.781 -2.038 2.006 321 H LEU 6 H LEU 6 18.178 -3.464 -1.236 322 HA LEU 6 HA LEU 6 15.879 -1.878 -0.827 323 HB2 LEU 6 HB3 LEU 6 17.267 -2.905 -3.279 324 HB3 LEU 6 HB2 LEU 6 15.734 -2.071 -3.428 325 HG LEU 6 HG LEU 6 17.593 -0.559 -3.855 326 HD11 LEU 6 HD11 LEU 6 15.627 0.424 -2.908 327 HD12 LEU 6 HD12 LEU 6 17.050 1.202 -2.213 328 HD13 LEU 6 HD13 LEU 6 16.153 0.008 -1.281 329 HD21 LEU 6 HD21 LEU 6 19.316 -1.624 -2.517 330 HD22 LEU 6 HD22 LEU 6 18.471 -1.169 -1.038 331 HD23 LEU 6 HD23 LEU 6 19.154 0.077 -2.082 332 H GLU 7 H GLU 7 16.291 -5.115 -2.222 333 HA GLU 7 HA GLU 7 13.634 -5.501 -3.018 334 HB2 GLU 7 HB3 GLU 7 15.705 -7.524 -2.163 335 HB3 GLU 7 HB2 GLU 7 14.178 -7.932 -2.933 336 HG2 GLU 7 HG3 GLU 7 14.844 -6.613 -4.898 337 HG3 GLU 7 HG2 GLU 7 16.397 -6.290 -4.128 338 H ASP 8 H ASP 8 15.206 -6.072 0.087 339 HA ASP 8 HA ASP 8 12.916 -7.459 1.157 340 HB2 ASP 8 HB3 ASP 8 15.582 -6.653 2.246 341 HB3 ASP 8 HB2 ASP 8 14.298 -7.128 3.353 342 H LYS 9 H LYS 9 13.701 -4.199 0.752 343 HA LYS 9 HA LYS 9 11.864 -3.437 2.904 344 HB2 LYS 9 HB3 LYS 9 14.005 -2.040 1.447 345 HB3 LYS 9 HB2 LYS 9 12.579 -1.073 1.783 346 HG2 LYS 9 HG3 LYS 9 14.160 -0.768 3.553 347 HG3 LYS 9 HG2 LYS 9 12.777 -1.670 4.172 348 HD2 LYS 9 HD3 LYS 9 14.054 -3.762 3.894 349 HD3 LYS 9 HD2 LYS 9 15.444 -2.819 3.349 350 HE2 LYS 9 HE3 LYS 9 15.464 -1.642 5.507 351 HE3 LYS 9 HE2 LYS 9 14.109 -2.630 6.047 352 HZ1 LYS 9 HZ1 LYS 9 16.182 -3.506 6.875 353 HZ2 LYS 9 HZ2 LYS 9 16.807 -3.617 5.311 354 HZ3 LYS 9 HZ3 LYS 9 15.510 -4.597 5.770 355 H VAL 10 H VAL 10 12.335 -2.673 -0.551 356 HA VAL 10 HA VAL 10 9.908 -1.225 -0.733 357 HB VAL 10 HB VAL 10 11.878 -0.860 -2.184 358 HG11 VAL 10 HG11 VAL 10 12.160 -2.227 -4.202 359 HG12 VAL 10 HG12 VAL 10 10.951 -3.357 -3.592 360 HG13 VAL 10 HG13 VAL 10 12.473 -3.142 -2.726 361 HG21 VAL 10 HG21 VAL 10 9.268 -1.365 -3.591 362 HG22 VAL 10 HG22 VAL 10 10.586 -0.367 -4.207 363 HG23 VAL 10 HG23 VAL 10 9.737 0.105 -2.735 364 H GLU 11 H GLU 11 10.736 -4.566 -1.600 365 HA GLU 11 HA GLU 11 8.116 -5.033 -2.723 366 HB2 GLU 11 HB3 GLU 11 10.149 -6.185 -3.581 367 HB3 GLU 11 HB2 GLU 11 10.296 -7.021 -2.041 368 HG2 GLU 11 HG3 GLU 11 8.227 -8.180 -2.408 369 HG3 GLU 11 HG2 GLU 11 7.918 -7.243 -3.869 370 H GLU 12 H GLU 12 9.835 -5.674 0.269 371 HA GLU 12 HA GLU 12 7.969 -7.268 1.581 372 HB2 GLU 12 HB3 GLU 12 10.298 -6.457 2.362 373 HB3 GLU 12 HB2 GLU 12 9.449 -5.050 2.977 374 HG2 GLU 12 HG3 GLU 12 8.783 -7.875 3.767 375 HG3 GLU 12 HG2 GLU 12 9.905 -6.847 4.651 376 H LEU 13 H LEU 13 8.195 -3.676 1.612 377 HA LEU 13 HA LEU 13 5.618 -3.433 2.786 378 HB2 LEU 13 HB3 LEU 13 7.636 -1.562 1.754 379 HB3 LEU 13 HB2 LEU 13 5.975 -0.991 1.723 380 HG LEU 13 HG LEU 13 5.897 -1.836 4.169 381 HD11 LEU 13 HD11 LEU 13 8.868 -1.467 3.757 382 HD12 LEU 13 HD12 LEU 13 8.041 -2.974 4.162 383 HD13 LEU 13 HD13 LEU 13 8.070 -1.645 5.321 384 HD21 LEU 13 HD21 LEU 13 7.343 0.664 3.293 385 HD22 LEU 13 HD22 LEU 13 6.824 0.362 4.951 386 HD23 LEU 13 HD23 LEU 13 5.626 0.479 3.663 387 H LEU 14 H LEU 14 6.504 -4.172 -0.391 388 HA LEU 14 HA LEU 14 4.228 -3.033 -1.668 389 HB2 LEU 14 HB3 LEU 14 6.271 -3.774 -2.884 390 HB3 LEU 14 HB2 LEU 14 5.867 -5.434 -2.495 391 HG LEU 14 HG LEU 14 3.575 -4.571 -3.723 392 HD11 LEU 14 HD11 LEU 14 5.925 -3.249 -5.058 393 HD12 LEU 14 HD12 LEU 14 4.483 -2.465 -4.409 394 HD13 LEU 14 HD13 LEU 14 4.359 -3.507 -5.823 395 HD21 LEU 14 HD21 LEU 14 4.342 -5.886 -5.625 396 HD22 LEU 14 HD22 LEU 14 4.703 -6.685 -4.095 397 HD23 LEU 14 HD23 LEU 14 5.984 -5.861 -4.983 398 H SER 15 H SER 15 4.714 -5.659 0.453 399 HA SER 15 HA SER 15 2.694 -7.417 -0.184 400 HB2 SER 15 HB3 SER 15 2.508 -7.889 2.246 401 HB3 SER 15 HB2 SER 15 4.183 -7.817 1.698 402 HG SER 15 HG SER 15 4.501 -6.024 2.802 403 H LYS 16 H LYS 16 2.358 -4.320 1.633 404 HA LYS 16 HA LYS 16 -0.429 -4.616 2.020 405 HB2 LYS 16 HB3 LYS 16 -0.495 -2.248 2.546 406 HB3 LYS 16 HB2 LYS 16 0.943 -2.963 3.266 407 HG2 LYS 16 HG3 LYS 16 2.327 -2.032 1.540 408 HG3 LYS 16 HG2 LYS 16 0.910 -1.413 0.689 409 HD2 LYS 16 HD3 LYS 16 0.506 0.222 2.283 410 HD3 LYS 16 HD2 LYS 16 1.418 -0.631 3.531 411 HE2 LYS 16 HE3 LYS 16 2.597 0.695 1.093 412 HE3 LYS 16 HE2 LYS 16 2.608 1.362 2.729 413 HZ1 LYS 16 HZ1 LYS 16 3.898 -1.170 1.875 414 HZ2 LYS 16 HZ2 LYS 16 3.877 -0.559 3.454 415 HZ3 LYS 16 HZ3 LYS 16 4.688 0.284 2.233 416 H ASN 17 H ASN 17 1.208 -4.039 -0.913 417 HA ASN 17 HA ASN 17 -0.655 -2.386 -2.252 418 HB2 ASN 17 HB3 ASN 17 1.709 -3.126 -3.010 419 HB3 ASN 17 HB2 ASN 17 0.922 -4.590 -3.580 420 HD21 ASN 17 HD21 ASN 17 2.340 -2.598 -5.090 421 HD22 ASN 17 HD22 ASN 17 1.237 -1.957 -6.248 422 H TYR 18 H TYR 18 -0.301 -5.869 -1.951 423 HA TYR 18 HA TYR 18 -2.653 -6.482 -3.469 424 HB2 TYR 18 HB3 TYR 18 -1.115 -8.290 -1.593 425 HB3 TYR 18 HB2 TYR 18 -2.208 -8.785 -2.879 426 HD1 TYR 18 HD1 TYR 18 -1.534 -8.346 -5.276 427 HD2 TYR 18 HD2 TYR 18 1.168 -7.904 -2.019 428 HE1 TYR 18 HE1 TYR 18 0.361 -8.475 -6.837 429 HE2 TYR 18 HE2 TYR 18 3.071 -8.032 -3.571 430 HH TYR 18 HH TYR 18 2.712 -7.782 -6.939 431 H HIS 19 H HIS 19 -1.769 -6.253 -0.075 432 HA HIS 19 HA HIS 19 -4.097 -7.410 1.006 433 HB2 HIS 19 HB3 HIS 19 -2.222 -5.367 2.212 434 HB3 HIS 19 HB2 HIS 19 -3.462 -6.230 3.107 435 HD1 HIS 19 HD1 HIS 19 -0.663 -6.561 4.091 436 HD2 HIS 19 HD2 HIS 19 -2.307 -9.027 1.174 437 HE1 HIS 19 HE1 HIS 19 0.699 -8.672 4.143 438 HE2 HIS 19 HE2 HIS 19 -0.437 -10.215 2.508 439 H LEU 20 H LEU 20 -3.218 -3.987 0.567 440 HA LEU 20 HA LEU 20 -5.714 -2.982 1.427 441 HB2 LEU 20 HB3 LEU 20 -3.261 -1.922 0.254 442 HB3 LEU 20 HB2 LEU 20 -4.695 -1.060 -0.264 443 HG LEU 20 HG LEU 20 -3.561 -0.058 1.719 444 HD11 LEU 20 HD11 LEU 20 -5.593 0.319 2.998 445 HD12 LEU 20 HD12 LEU 20 -6.356 -1.064 2.214 446 HD13 LEU 20 HD13 LEU 20 -5.925 0.360 1.267 447 HD21 LEU 20 HD21 LEU 20 -2.840 -2.110 2.819 448 HD22 LEU 20 HD22 LEU 20 -4.523 -2.552 3.109 449 HD23 LEU 20 HD23 LEU 20 -3.839 -1.131 3.893 450 H GLU 21 H GLU 21 -4.485 -3.976 -1.727 451 HA GLU 21 HA GLU 21 -6.601 -2.897 -3.261 452 HB2 GLU 21 HB3 GLU 21 -4.418 -3.784 -4.159 453 HB3 GLU 21 HB2 GLU 21 -5.042 -5.406 -3.895 454 HG2 GLU 21 HG3 GLU 21 -6.882 -4.946 -5.436 455 HG3 GLU 21 HG2 GLU 21 -6.251 -3.324 -5.701 456 H ASN 22 H ASN 22 -6.182 -5.982 -1.603 457 HA ASN 22 HA ASN 22 -8.582 -7.169 -2.512 458 HB2 ASN 22 HB3 ASN 22 -6.646 -7.741 -0.326 459 HB3 ASN 22 HB2 ASN 22 -8.235 -8.494 -0.236 460 HD21 ASN 22 HD21 ASN 22 -5.255 -8.290 -2.014 461 HD22 ASN 22 HD22 ASN 22 -5.500 -9.717 -2.965 462 H GLU 23 H GLU 23 -7.907 -4.811 -0.094 463 HA GLU 23 HA GLU 23 -10.368 -5.171 1.350 464 HB2 GLU 23 HB3 GLU 23 -8.523 -2.765 1.329 465 HB3 GLU 23 HB2 GLU 23 -9.790 -3.119 2.523 466 HG2 GLU 23 HG3 GLU 23 -7.221 -4.630 2.077 467 HG3 GLU 23 HG2 GLU 23 -7.650 -3.630 3.463 468 H VAL 24 H VAL 24 -9.118 -2.878 -1.057 469 HA VAL 24 HA VAL 24 -11.447 -1.307 -1.232 470 HB VAL 24 HB VAL 24 -9.389 -1.756 -3.415 471 HG11 VAL 24 HG11 VAL 24 -10.101 0.377 -4.286 472 HG12 VAL 24 HG12 VAL 24 -11.232 0.590 -2.950 473 HG13 VAL 24 HG13 VAL 24 -11.506 -0.681 -4.144 474 HG21 VAL 24 HG21 VAL 24 -8.286 0.229 -2.561 475 HG22 VAL 24 HG22 VAL 24 -8.349 -1.034 -1.332 476 HG23 VAL 24 HG23 VAL 24 -9.460 0.333 -1.250 477 H ALA 25 H ALA 25 -10.408 -4.204 -2.952 478 HA ALA 25 HA ALA 25 -12.494 -4.171 -4.880 479 HB1 ALA 25 HB1 ALA 25 -10.335 -5.391 -5.127 480 HB2 ALA 25 HB2 ALA 25 -11.767 -6.350 -5.503 481 HB3 ALA 25 HB3 ALA 25 -10.938 -6.574 -3.966 482 H ARG 26 H ARG 26 -12.279 -5.431 -1.618 483 HA ARG 26 HA ARG 26 -14.530 -7.164 -1.837 484 HB2 ARG 26 HB3 ARG 26 -14.152 -7.697 0.352 485 HB3 ARG 26 HB2 ARG 26 -12.595 -6.988 -0.030 486 HG2 ARG 26 HG3 ARG 26 -13.262 -4.890 1.010 487 HG3 ARG 26 HG2 ARG 26 -14.852 -5.577 1.372 488 HD2 ARG 26 HD2 ARG 26 -13.718 -7.353 2.688 489 HD3 ARG 26 HD1 ARG 26 -12.189 -6.525 2.414 490 HE ARG 26 HE ARG 26 -14.130 -4.792 3.574 491 HH11 ARG 26 HH11 ARG 26 -11.895 -7.379 4.318 492 HH12 ARG 26 HH12 ARG 26 -11.712 -6.921 5.981 493 HH21 ARG 26 HH21 ARG 26 -13.887 -4.180 5.767 494 HH22 ARG 26 HH22 ARG 26 -12.838 -5.094 6.803 495 H LEU 27 H LEU 27 -14.056 -3.859 -0.772 496 HA LEU 27 HA LEU 27 -16.749 -3.342 -0.072 497 HB2 LEU 27 HB3 LEU 27 -14.501 -1.530 -0.902 498 HB3 LEU 27 HB2 LEU 27 -16.065 -0.939 -0.382 499 HG LEU 27 HG LEU 27 -14.766 -2.828 1.460 500 HD11 LEU 27 HD11 LEU 27 -12.868 -1.500 0.607 501 HD12 LEU 27 HD12 LEU 27 -13.190 -1.263 2.326 502 HD13 LEU 27 HD13 LEU 27 -13.697 -0.047 1.158 503 HD21 LEU 27 HD21 LEU 27 -16.107 -0.155 1.796 504 HD22 LEU 27 HD22 LEU 27 -15.580 -1.206 3.108 505 HD23 LEU 27 HD23 LEU 27 -16.860 -1.734 2.015 506 H LYS 28 H LYS 28 -14.992 -3.136 -3.116 507 HA LYS 28 HA LYS 28 -16.828 -1.897 -4.752 508 HB2 LYS 28 HB3 LYS 28 -15.044 -4.268 -5.273 509 HB3 LYS 28 HB2 LYS 28 -16.048 -3.569 -6.533 510 HG2 LYS 28 HG3 LYS 28 -13.964 -2.051 -4.980 511 HG3 LYS 28 HG2 LYS 28 -13.703 -2.786 -6.563 512 HD2 LYS 28 HD3 LYS 28 -15.668 -1.404 -7.373 513 HD3 LYS 28 HD2 LYS 28 -15.561 -0.530 -5.845 514 HE2 LYS 28 HE3 LYS 28 -13.358 -0.794 -7.888 515 HE3 LYS 28 HE2 LYS 28 -14.371 0.628 -7.645 516 HZ1 LYS 28 HZ1 LYS 28 -12.240 0.868 -6.555 517 HZ2 LYS 28 HZ2 LYS 28 -12.508 -0.534 -5.650 518 HZ3 LYS 28 HZ3 LYS 28 -13.482 0.830 -5.409 519 H LYS 29 H LYS 29 -16.843 -5.252 -3.621 520 HA LYS 29 HA LYS 29 -19.202 -5.951 -5.074 521 HB2 LYS 29 HB3 LYS 29 -17.669 -7.307 -2.865 522 HB3 LYS 29 HB2 LYS 29 -19.110 -7.993 -3.588 523 HG2 LYS 29 HG3 LYS 29 -16.615 -7.289 -5.111 524 HG3 LYS 29 HG2 LYS 29 -16.998 -8.900 -4.505 525 HD2 LYS 29 HD3 LYS 29 -18.668 -7.328 -6.468 526 HD3 LYS 29 HD2 LYS 29 -17.563 -8.635 -6.888 527 HE2 LYS 29 HE3 LYS 29 -18.889 -10.175 -5.500 528 HE3 LYS 29 HE2 LYS 29 -20.007 -8.863 -5.133 529 HZ1 LYS 29 HZ1 LYS 29 -20.563 -8.715 -7.469 530 HZ2 LYS 29 HZ2 LYS 29 -20.831 -10.286 -6.905 531 HZ3 LYS 29 HZ3 LYS 29 -19.466 -9.945 -7.843 532 H LEU 30 H LEU 30 -18.560 -4.508 -2.000 533 HA LEU 30 HA LEU 30 -21.127 -5.170 -0.871 534 HB2 LEU 30 HB3 LEU 30 -19.056 -3.163 0.020 535 HB3 LEU 30 HB2 LEU 30 -20.482 -3.618 0.933 536 HG LEU 30 HG LEU 30 -18.206 -5.466 0.210 537 HD11 LEU 30 HD11 LEU 30 -18.976 -4.204 2.836 538 HD12 LEU 30 HD12 LEU 30 -17.549 -3.824 1.873 539 HD13 LEU 30 HD13 LEU 30 -17.717 -5.417 2.611 540 HD21 LEU 30 HD21 LEU 30 -20.665 -5.913 1.897 541 HD22 LEU 30 HD22 LEU 30 -19.315 -7.036 1.742 542 HD23 LEU 30 HD23 LEU 30 -20.313 -6.660 0.338 543 H VAL 31 H VAL 31 -19.661 -2.385 -2.470 544 HA VAL 31 HA VAL 31 -22.061 -0.792 -2.195 545 HB VAL 31 HB VAL 31 -19.650 -0.233 -3.943 546 HG11 VAL 31 HG11 VAL 31 -20.390 2.092 -3.820 547 HG12 VAL 31 HG12 VAL 31 -21.797 1.597 -2.878 548 HG13 VAL 31 HG13 VAL 31 -21.621 1.062 -4.550 549 HG21 VAL 31 HG21 VAL 31 -18.957 -0.489 -1.630 550 HG22 VAL 31 HG22 VAL 31 -20.205 0.645 -1.116 551 HG23 VAL 31 HG23 VAL 31 -18.868 1.202 -2.122 552 H GLY 32 H GLY 32 -20.639 -2.944 -4.541 553 HA2 GLY 32 HA3 GLY 32 -22.431 -2.023 -6.649 554 HA3 GLY 32 HA2 GLY 32 -21.141 -3.204 -6.821 555 H GLU 33 H GLU 33 -21.774 -4.970 -4.807 556 HA GLU 33 HA GLU 33 -22.951 -6.852 -4.428 557 HB2 GLU 33 HB3 GLU 33 -25.327 -5.113 -5.118 558 HB3 GLU 33 HB2 GLU 33 -25.412 -6.691 -4.344 559 HG2 GLU 33 HG3 GLU 33 -24.147 -5.829 -2.440 560 HG3 GLU 33 HG2 GLU 33 -24.063 -4.247 -3.213 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 20.865 1.536 7.263 2 H2 GLY 1 H2 GLY 1 21.866 2.156 6.054 3 H3 GLY 1 H3 GLY 1 22.015 0.542 6.526 4 HA2 GLY 1 HA2 GLY 1 20.861 0.700 4.421 5 HA3 GLY 1 HA3 GLY 1 19.827 0.039 5.677 6 H SER 2 H SER 2 20.686 3.089 4.081 7 HA SER 2 HA SER 2 17.848 3.791 4.099 8 HB2 SER 2 HB3 SER 2 18.942 4.966 6.014 9 HB3 SER 2 HB2 SER 2 20.033 5.747 4.871 10 HG SER 2 HG SER 2 17.994 6.872 5.579 11 H MET 3 H MET 3 20.590 5.820 3.158 12 HA MET 3 HA MET 3 21.354 6.560 1.159 13 HB2 MET 3 HB3 MET 3 20.379 3.837 0.311 14 HB3 MET 3 HB2 MET 3 21.267 4.915 -0.755 15 HG2 MET 3 HG3 MET 3 23.201 4.810 0.610 16 HG3 MET 3 HG2 MET 3 22.324 3.985 1.896 17 HE1 MET 3 HE1 MET 3 21.826 3.188 -1.909 18 HE2 MET 3 HE2 MET 3 23.095 2.001 -2.202 19 HE3 MET 3 HE3 MET 3 23.518 3.678 -1.856 20 H LYS 4 H LYS 4 20.731 6.949 -1.218 21 HA LYS 4 HA LYS 4 18.231 8.299 -1.279 22 HB2 LYS 4 HB3 LYS 4 20.317 8.941 -2.545 23 HB3 LYS 4 HB2 LYS 4 20.011 7.582 -3.614 24 HG2 LYS 4 HG3 LYS 4 17.847 8.591 -4.226 25 HG3 LYS 4 HG2 LYS 4 18.244 9.983 -3.217 26 HD2 LYS 4 HD3 LYS 4 20.308 10.290 -4.595 27 HD3 LYS 4 HD2 LYS 4 19.712 9.022 -5.666 28 HE2 LYS 4 HE3 LYS 4 19.147 11.166 -6.598 29 HE3 LYS 4 HE2 LYS 4 17.671 10.368 -6.053 30 HZ1 LYS 4 HZ1 LYS 4 17.683 12.686 -5.420 31 HZ2 LYS 4 HZ2 LYS 4 19.143 12.491 -4.592 32 HZ3 LYS 4 HZ3 LYS 4 17.748 11.714 -4.037 33 H GLN 5 H GLN 5 19.374 5.181 -2.280 34 HA GLN 5 HA GLN 5 17.397 4.608 -4.202 35 HB2 GLN 5 HB3 GLN 5 19.174 2.754 -2.618 36 HB3 GLN 5 HB2 GLN 5 18.198 2.270 -4.001 37 HG2 GLN 5 HG3 GLN 5 19.432 3.888 -5.394 38 HG3 GLN 5 HG2 GLN 5 20.451 4.266 -4.009 39 HE21 GLN 5 HE21 GLN 5 21.145 3.178 -6.618 40 HE22 GLN 5 HE22 GLN 5 21.947 1.676 -6.313 41 H LEU 6 H LEU 6 17.637 3.672 -0.743 42 HA LEU 6 HA LEU 6 15.204 2.186 -0.853 43 HB2 LEU 6 HB3 LEU 6 16.758 3.284 1.485 44 HB3 LEU 6 HB2 LEU 6 15.280 2.363 1.671 45 HG LEU 6 HG LEU 6 16.434 0.469 0.452 46 HD11 LEU 6 HD11 LEU 6 18.224 1.690 -0.616 47 HD12 LEU 6 HD12 LEU 6 18.897 0.488 0.487 48 HD13 LEU 6 HD13 LEU 6 18.857 2.188 0.952 49 HD21 LEU 6 HD21 LEU 6 16.110 0.521 2.877 50 HD22 LEU 6 HD22 LEU 6 17.644 1.371 3.058 51 HD23 LEU 6 HD23 LEU 6 17.617 -0.278 2.431 52 H GLU 7 H GLU 7 16.042 5.511 -0.109 53 HA GLU 7 HA GLU 7 13.570 6.324 0.942 54 HB2 GLU 7 HB3 GLU 7 15.904 7.676 -0.255 55 HB3 GLU 7 HB2 GLU 7 14.394 8.567 -0.347 56 HG2 GLU 7 HG3 GLU 7 15.457 9.289 1.612 57 HG3 GLU 7 HG2 GLU 7 14.164 8.214 2.133 58 H ASP 8 H ASP 8 14.722 6.228 -2.419 59 HA ASP 8 HA ASP 8 12.354 7.446 -3.460 60 HB2 ASP 8 HB3 ASP 8 14.725 6.108 -4.716 61 HB3 ASP 8 HB2 ASP 8 13.322 6.537 -5.688 62 H LYS 9 H LYS 9 13.142 4.211 -2.613 63 HA LYS 9 HA LYS 9 11.026 3.170 -4.342 64 HB2 LYS 9 HB3 LYS 9 13.245 1.863 -2.804 65 HB3 LYS 9 HB2 LYS 9 11.877 0.924 -3.388 66 HG2 LYS 9 HG3 LYS 9 12.364 1.603 -5.672 67 HG3 LYS 9 HG2 LYS 9 13.712 2.588 -5.101 68 HD2 LYS 9 HD3 LYS 9 14.896 0.650 -4.350 69 HD3 LYS 9 HD2 LYS 9 13.503 -0.388 -4.663 70 HE2 LYS 9 HE3 LYS 9 13.694 0.025 -7.042 71 HE3 LYS 9 HE2 LYS 9 15.020 1.153 -6.765 72 HZ1 LYS 9 HZ1 LYS 9 15.735 -1.088 -7.480 73 HZ2 LYS 9 HZ2 LYS 9 15.112 -1.726 -6.047 74 HZ3 LYS 9 HZ3 LYS 9 16.396 -0.623 -5.997 75 H VAL 10 H VAL 10 11.986 2.976 -0.905 76 HA VAL 10 HA VAL 10 9.628 1.591 -0.144 77 HB VAL 10 HB VAL 10 11.522 3.177 1.601 78 HG11 VAL 10 HG11 VAL 10 9.392 2.746 2.705 79 HG12 VAL 10 HG12 VAL 10 10.675 1.774 3.425 80 HG13 VAL 10 HG13 VAL 10 9.523 1.030 2.315 81 HG21 VAL 10 HG21 VAL 10 12.683 1.438 0.350 82 HG22 VAL 10 HG22 VAL 10 11.505 0.244 0.892 83 HG23 VAL 10 HG23 VAL 10 12.582 1.014 2.059 84 H GLU 11 H GLU 11 10.609 5.008 0.288 85 HA GLU 11 HA GLU 11 8.153 5.732 1.535 86 HB2 GLU 11 HB3 GLU 11 10.250 7.457 0.208 87 HB3 GLU 11 HB2 GLU 11 8.906 8.068 1.163 88 HG2 GLU 11 HG3 GLU 11 9.763 6.735 3.083 89 HG3 GLU 11 HG2 GLU 11 11.182 6.351 2.111 90 H GLU 12 H GLU 12 9.139 5.360 -1.740 91 HA GLU 12 HA GLU 12 7.169 6.841 -3.061 92 HB2 GLU 12 HB3 GLU 12 9.052 5.686 -4.187 93 HB3 GLU 12 HB2 GLU 12 8.282 4.142 -3.853 94 HG2 GLU 12 HG3 GLU 12 7.881 4.800 -6.136 95 HG3 GLU 12 HG2 GLU 12 6.370 4.809 -5.229 96 H LEU 13 H LEU 13 7.050 3.384 -2.086 97 HA LEU 13 HA LEU 13 4.278 3.180 -2.578 98 HB2 LEU 13 HB3 LEU 13 6.128 1.452 -0.952 99 HB3 LEU 13 HB2 LEU 13 4.404 1.137 -1.063 100 HG LEU 13 HG LEU 13 4.823 1.279 -3.629 101 HD11 LEU 13 HD11 LEU 13 7.021 0.394 -4.274 102 HD12 LEU 13 HD12 LEU 13 7.561 0.549 -2.602 103 HD13 LEU 13 HD13 LEU 13 7.132 1.988 -3.526 104 HD21 LEU 13 HD21 LEU 13 5.649 -1.097 -1.959 105 HD22 LEU 13 HD22 LEU 13 5.221 -1.148 -3.670 106 HD23 LEU 13 HD23 LEU 13 4.008 -0.696 -2.471 107 H LEU 14 H LEU 14 6.041 4.294 0.222 108 HA LEU 14 HA LEU 14 4.076 4.273 2.158 109 HB2 LEU 14 HB3 LEU 14 6.278 6.175 1.491 110 HB3 LEU 14 HB2 LEU 14 5.108 6.652 2.695 111 HG LEU 14 HG LEU 14 7.410 5.461 3.295 112 HD11 LEU 14 HD11 LEU 14 6.369 4.807 5.425 113 HD12 LEU 14 HD12 LEU 14 4.780 5.074 4.705 114 HD13 LEU 14 HD13 LEU 14 5.907 6.417 4.885 115 HD21 LEU 14 HD21 LEU 14 7.226 3.145 3.715 116 HD22 LEU 14 HD22 LEU 14 6.719 3.379 2.041 117 HD23 LEU 14 HD23 LEU 14 5.514 3.127 3.306 118 H SER 15 H SER 15 4.611 6.705 -0.366 119 HA SER 15 HA SER 15 2.225 8.128 0.327 120 HB2 SER 15 HB3 SER 15 2.715 9.276 -1.944 121 HB3 SER 15 HB2 SER 15 3.854 9.511 -0.620 122 HG SER 15 HG SER 15 5.328 8.470 -1.705 123 H LYS 16 H LYS 16 3.089 5.619 -2.010 124 HA LYS 16 HA LYS 16 0.787 5.789 -3.602 125 HB2 LYS 16 HB3 LYS 16 2.844 4.454 -4.124 126 HB3 LYS 16 HB2 LYS 16 2.313 3.271 -2.936 127 HG2 LYS 16 HG3 LYS 16 0.345 2.773 -4.224 128 HG3 LYS 16 HG2 LYS 16 0.718 4.067 -5.364 129 HD2 LYS 16 HD3 LYS 16 1.374 1.994 -6.362 130 HD3 LYS 16 HD2 LYS 16 2.839 2.865 -5.915 131 HE2 LYS 16 HE3 LYS 16 3.159 0.597 -5.287 132 HE3 LYS 16 HE2 LYS 16 2.887 1.513 -3.807 133 HZ1 LYS 16 HZ1 LYS 16 0.931 -0.209 -5.222 134 HZ2 LYS 16 HZ2 LYS 16 0.537 0.780 -3.909 135 HZ3 LYS 16 HZ3 LYS 16 1.633 -0.495 -3.707 136 H ASN 17 H ASN 17 1.408 3.698 -0.734 137 HA ASN 17 HA ASN 17 -1.311 2.803 -0.822 138 HB2 ASN 17 HB3 ASN 17 -0.823 1.539 1.236 139 HB3 ASN 17 HB2 ASN 17 0.292 1.197 -0.072 140 HD21 ASN 17 HD21 ASN 17 0.472 4.010 2.076 141 HD22 ASN 17 HD22 ASN 17 1.944 3.534 2.831 142 H TYR 18 H TYR 18 0.268 5.483 0.571 143 HA TYR 18 HA TYR 18 -1.458 6.015 2.730 144 HB2 TYR 18 HB3 TYR 18 0.654 7.239 2.376 145 HB3 TYR 18 HB2 TYR 18 -0.025 7.995 0.939 146 HD1 TYR 18 HD1 TYR 18 -0.166 7.859 4.614 147 HD2 TYR 18 HD2 TYR 18 -1.561 9.839 1.117 148 HE1 TYR 18 HE1 TYR 18 -1.050 9.681 6.006 149 HE2 TYR 18 HE2 TYR 18 -2.447 11.665 2.501 150 HH TYR 18 HH TYR 18 -1.650 12.035 5.792 151 H HIS 19 H HIS 19 -1.545 7.274 -0.613 152 HA HIS 19 HA HIS 19 -4.065 8.557 -0.277 153 HB2 HIS 19 HB3 HIS 19 -2.544 7.749 -2.761 154 HB3 HIS 19 HB2 HIS 19 -4.058 8.645 -2.805 155 HD1 HIS 19 HD1 HIS 19 -3.929 11.134 -2.476 156 HD2 HIS 19 HD2 HIS 19 -0.373 9.206 -1.535 157 HE1 HIS 19 HE1 HIS 19 -2.242 12.962 -2.129 158 HE2 HIS 19 HE2 HIS 19 -0.154 11.773 -1.370 159 H LEU 20 H LEU 20 -3.052 5.447 -1.494 160 HA LEU 20 HA LEU 20 -5.403 4.336 -2.359 161 HB2 LEU 20 HB3 LEU 20 -3.417 3.144 -2.638 162 HB3 LEU 20 HB2 LEU 20 -2.969 3.331 -0.966 163 HG LEU 20 HG LEU 20 -3.522 1.034 -1.767 164 HD11 LEU 20 HD11 LEU 20 -4.558 0.455 0.369 165 HD12 LEU 20 HD12 LEU 20 -4.949 2.147 0.631 166 HD13 LEU 20 HD13 LEU 20 -3.266 1.629 0.558 167 HD21 LEU 20 HD21 LEU 20 -5.889 0.384 -1.714 168 HD22 LEU 20 HD22 LEU 20 -5.532 1.494 -3.037 169 HD23 LEU 20 HD23 LEU 20 -6.339 2.084 -1.585 170 H GLU 21 H GLU 21 -4.218 4.589 1.007 171 HA GLU 21 HA GLU 21 -6.367 3.085 2.079 172 HB2 GLU 21 HB3 GLU 21 -4.400 4.966 3.358 173 HB3 GLU 21 HB2 GLU 21 -5.627 4.103 4.279 174 HG2 GLU 21 HG3 GLU 21 -4.714 1.969 3.492 175 HG3 GLU 21 HG2 GLU 21 -3.486 2.839 2.575 176 H ASN 22 H ASN 22 -6.139 6.347 1.062 177 HA ASN 22 HA ASN 22 -8.397 7.340 2.495 178 HB2 ASN 22 HB3 ASN 22 -7.247 8.239 -0.160 179 HB3 ASN 22 HB2 ASN 22 -8.442 9.121 0.780 180 HD21 ASN 22 HD21 ASN 22 -5.819 9.944 -0.093 181 HD22 ASN 22 HD22 ASN 22 -4.936 10.360 1.334 182 H GLU 23 H GLU 23 -7.878 5.545 -0.435 183 HA GLU 23 HA GLU 23 -10.534 5.845 -1.460 184 HB2 GLU 23 HB3 GLU 23 -8.611 5.423 -2.936 185 HB3 GLU 23 HB2 GLU 23 -8.384 3.835 -2.176 186 HG2 GLU 23 HG3 GLU 23 -10.517 3.092 -3.028 187 HG3 GLU 23 HG2 GLU 23 -10.846 4.692 -3.690 188 H VAL 24 H VAL 24 -8.864 3.479 0.543 189 HA VAL 24 HA VAL 24 -10.929 1.532 0.515 190 HB VAL 24 HB VAL 24 -9.122 2.028 2.879 191 HG11 VAL 24 HG11 VAL 24 -9.317 -0.406 3.169 192 HG12 VAL 24 HG12 VAL 24 -10.384 -0.486 1.766 193 HG13 VAL 24 HG13 VAL 24 -10.890 0.387 3.212 194 HG21 VAL 24 HG21 VAL 24 -8.464 0.624 0.305 195 HG22 VAL 24 HG22 VAL 24 -7.544 0.423 1.791 196 HG23 VAL 24 HG23 VAL 24 -7.633 2.003 1.017 197 H ALA 25 H ALA 25 -10.309 4.431 2.382 198 HA ALA 25 HA ALA 25 -12.447 4.049 4.234 199 HB1 ALA 25 HB1 ALA 25 -12.041 6.347 4.893 200 HB2 ALA 25 HB2 ALA 25 -11.037 6.602 3.467 201 HB3 ALA 25 HB3 ALA 25 -10.513 5.483 4.725 202 H ARG 26 H ARG 26 -12.153 5.463 1.046 203 HA ARG 26 HA ARG 26 -14.536 6.965 1.063 204 HB2 ARG 26 HB3 ARG 26 -14.105 7.423 -1.137 205 HB3 ARG 26 HB2 ARG 26 -12.523 6.826 -0.675 206 HG2 ARG 26 HG3 ARG 26 -12.996 4.662 -1.662 207 HG3 ARG 26 HG2 ARG 26 -14.646 5.182 -2.040 208 HD2 ARG 26 HD2 ARG 26 -12.095 6.346 -3.152 209 HD3 ARG 26 HD1 ARG 26 -13.234 5.310 -4.010 210 HE ARG 26 HE ARG 26 -14.054 7.941 -2.983 211 HH11 ARG 26 HH11 ARG 26 -13.665 5.705 -5.649 212 HH12 ARG 26 HH12 ARG 26 -14.545 6.692 -6.768 213 HH21 ARG 26 HH21 ARG 26 -15.186 9.248 -4.452 214 HH22 ARG 26 HH22 ARG 26 -15.411 8.715 -6.087 215 H LEU 27 H LEU 27 -13.811 3.670 0.093 216 HA LEU 27 HA LEU 27 -16.482 3.005 -0.626 217 HB2 LEU 27 HB3 LEU 27 -14.188 1.211 0.134 218 HB3 LEU 27 HB2 LEU 27 -15.683 0.711 -0.619 219 HG LEU 27 HG LEU 27 -13.908 2.692 -1.961 220 HD11 LEU 27 HD11 LEU 27 -13.768 -0.290 -2.288 221 HD12 LEU 27 HD12 LEU 27 -12.599 0.669 -1.379 222 HD13 LEU 27 HD13 LEU 27 -12.791 0.923 -3.115 223 HD21 LEU 27 HD21 LEU 27 -15.012 1.702 -3.960 224 HD22 LEU 27 HD22 LEU 27 -16.126 2.505 -2.854 225 HD23 LEU 27 HD23 LEU 27 -16.013 0.743 -2.866 226 H LYS 28 H LYS 28 -14.535 2.462 2.283 227 HA LYS 28 HA LYS 28 -16.262 0.867 3.706 228 HB2 LYS 28 HB3 LYS 28 -13.925 1.541 4.337 229 HB3 LYS 28 HB2 LYS 28 -14.588 3.063 4.912 230 HG2 LYS 28 HG3 LYS 28 -15.847 1.969 6.603 231 HG3 LYS 28 HG2 LYS 28 -15.473 0.380 5.935 232 HD2 LYS 28 HD3 LYS 28 -13.083 0.784 6.426 233 HD3 LYS 28 HD2 LYS 28 -13.529 2.313 7.185 234 HE2 LYS 28 HE3 LYS 28 -14.867 1.139 8.828 235 HE3 LYS 28 HE2 LYS 28 -14.529 -0.399 8.038 236 HZ1 LYS 28 HZ1 LYS 28 -13.122 -0.108 9.953 237 HZ2 LYS 28 HZ2 LYS 28 -12.537 1.363 9.357 238 HZ3 LYS 28 HZ3 LYS 28 -12.178 -0.081 8.551 239 H LYS 29 H LYS 29 -16.299 4.432 3.500 240 HA LYS 29 HA LYS 29 -18.488 4.613 5.319 241 HB2 LYS 29 HB3 LYS 29 -18.504 6.962 4.825 242 HB3 LYS 29 HB2 LYS 29 -16.864 6.426 5.113 243 HG2 LYS 29 HG3 LYS 29 -16.434 6.434 2.711 244 HG3 LYS 29 HG2 LYS 29 -18.094 6.960 2.414 245 HD2 LYS 29 HD3 LYS 29 -17.684 9.009 3.668 246 HD3 LYS 29 HD2 LYS 29 -16.041 8.479 4.022 247 HE2 LYS 29 HE3 LYS 29 -16.050 10.089 2.205 248 HE3 LYS 29 HE2 LYS 29 -15.520 8.513 1.630 249 HZ1 LYS 29 HZ1 LYS 29 -17.702 8.137 0.704 250 HZ2 LYS 29 HZ2 LYS 29 -17.078 9.586 0.104 251 HZ3 LYS 29 HZ3 LYS 29 -18.258 9.610 1.314 252 H LEU 30 H LEU 30 -18.182 4.211 1.903 253 HA LEU 30 HA LEU 30 -20.857 4.948 1.231 254 HB2 LEU 30 HB3 LEU 30 -18.768 3.283 -0.133 255 HB3 LEU 30 HB2 LEU 30 -20.360 3.527 -0.826 256 HG LEU 30 HG LEU 30 -18.358 5.707 -0.217 257 HD11 LEU 30 HD11 LEU 30 -19.240 4.516 -2.842 258 HD12 LEU 30 HD12 LEU 30 -17.661 4.312 -2.085 259 HD13 LEU 30 HD13 LEU 30 -18.170 5.903 -2.648 260 HD21 LEU 30 HD21 LEU 30 -20.633 6.514 0.003 261 HD22 LEU 30 HD22 LEU 30 -21.057 5.812 -1.558 262 HD23 LEU 30 HD23 LEU 30 -19.908 7.146 -1.474 263 H VAL 31 H VAL 31 -19.312 2.025 2.376 264 HA VAL 31 HA VAL 31 -21.651 0.396 1.869 265 HB VAL 31 HB VAL 31 -19.240 -0.368 3.522 266 HG11 VAL 31 HG11 VAL 31 -19.866 -2.649 2.937 267 HG12 VAL 31 HG12 VAL 31 -21.241 -2.046 2.011 268 HG13 VAL 31 HG13 VAL 31 -21.192 -1.827 3.762 269 HG21 VAL 31 HG21 VAL 31 -18.298 -1.356 1.513 270 HG22 VAL 31 HG22 VAL 31 -18.514 0.382 1.310 271 HG23 VAL 31 HG23 VAL 31 -19.650 -0.742 0.562 272 H GLY 32 H GLY 32 -20.338 2.267 4.507 273 HA2 GLY 32 HA3 GLY 32 -22.723 2.013 6.009 274 HA3 GLY 32 HA2 GLY 32 -21.500 0.945 6.668 275 H GLU 33 H GLU 33 -19.332 2.906 5.942 276 HA GLU 33 HA GLU 33 -18.089 4.400 7.109 277 HB2 GLU 33 HB3 GLU 33 -19.827 5.979 6.312 278 HB3 GLU 33 HB2 GLU 33 -20.750 5.675 7.776 279 HG2 GLU 33 HG3 GLU 33 -18.912 6.579 9.116 280 HG3 GLU 33 HG2 GLU 33 -18.003 6.899 7.639 281 H1 GLY 1 H1 GLY 1 20.812 -1.779 -7.971 282 H2 GLY 1 H2 GLY 1 21.825 -2.403 -6.772 283 H3 GLY 1 H3 GLY 1 21.979 -0.791 -7.253 284 HA2 GLY 1 HA2 GLY 1 20.849 -0.934 -5.133 285 HA3 GLY 1 HA3 GLY 1 19.809 -0.270 -6.382 286 H SER 2 H SER 2 20.666 -3.316 -4.785 287 HA SER 2 HA SER 2 17.823 -4.009 -4.781 288 HB2 SER 2 HB3 SER 2 18.898 -5.197 -6.697 289 HB3 SER 2 HB2 SER 2 20.003 -5.966 -5.562 290 HG SER 2 HG SER 2 17.928 -7.077 -6.254 291 H MET 3 H MET 3 20.564 -6.038 -3.851 292 HA MET 3 HA MET 3 21.341 -6.773 -1.851 293 HB2 MET 3 HB3 MET 3 20.376 -4.043 -1.011 294 HB3 MET 3 HB2 MET 3 21.261 -5.119 0.060 295 HG2 MET 3 HG3 MET 3 23.195 -5.030 -1.313 296 HG3 MET 3 HG2 MET 3 22.317 -4.202 -2.597 297 HE1 MET 3 HE1 MET 3 21.830 -3.384 1.206 298 HE2 MET 3 HE2 MET 3 23.111 -2.207 1.492 299 HE3 MET 3 HE3 MET 3 23.517 -3.889 1.153 300 H LYS 4 H LYS 4 20.729 -7.142 0.546 301 HA LYS 4 HA LYS 4 18.221 -8.492 0.613 302 HB2 LYS 4 HB3 LYS 4 20.308 -9.138 1.875 303 HB3 LYS 4 HB2 LYS 4 20.011 -7.776 2.941 304 HG2 LYS 4 HG3 LYS 4 17.847 -8.776 3.564 305 HG3 LYS 4 HG2 LYS 4 18.236 -10.174 2.558 306 HD2 LYS 4 HD3 LYS 4 20.307 -10.479 3.929 307 HD3 LYS 4 HD2 LYS 4 19.717 -9.206 5.000 308 HE2 LYS 4 HE3 LYS 4 19.150 -11.345 5.938 309 HE3 LYS 4 HE2 LYS 4 17.674 -10.549 5.393 310 HZ1 LYS 4 HZ1 LYS 4 17.694 -12.872 4.764 311 HZ2 LYS 4 HZ2 LYS 4 19.144 -12.669 3.922 312 HZ3 LYS 4 HZ3 LYS 4 17.739 -11.899 3.385 313 H GLN 5 H GLN 5 19.380 -5.376 1.593 314 HA GLN 5 HA GLN 5 17.416 -4.787 3.524 315 HB2 GLN 5 HB3 GLN 5 19.188 -2.948 1.922 316 HB3 GLN 5 HB2 GLN 5 18.220 -2.453 3.306 317 HG2 GLN 5 HG3 GLN 5 19.455 -4.067 4.704 318 HG3 GLN 5 HG2 GLN 5 20.467 -4.453 3.317 319 HE21 GLN 5 HE21 GLN 5 21.182 -3.352 5.916 320 HE22 GLN 5 HE22 GLN 5 21.984 -1.854 5.593 321 H LEU 6 H LEU 6 17.632 -3.871 0.061 322 HA LEU 6 HA LEU 6 15.205 -2.377 0.179 323 HB2 LEU 6 HB3 LEU 6 16.748 -3.486 -2.161 324 HB3 LEU 6 HB2 LEU 6 15.271 -2.564 -2.346 325 HG LEU 6 HG LEU 6 16.436 -0.667 -1.139 326 HD11 LEU 6 HD11 LEU 6 18.229 -1.890 -0.079 327 HD12 LEU 6 HD12 LEU 6 18.897 -0.693 -1.189 328 HD13 LEU 6 HD13 LEU 6 18.849 -2.394 -1.650 329 HD21 LEU 6 HD21 LEU 6 16.099 -0.725 -3.563 330 HD22 LEU 6 HD22 LEU 6 17.630 -1.580 -3.748 331 HD23 LEU 6 HD23 LEU 6 17.609 0.070 -3.125 332 H GLU 7 H GLU 7 16.033 -5.708 -0.559 333 HA GLU 7 HA GLU 7 13.554 -6.518 -1.598 334 HB2 GLU 7 HB3 GLU 7 15.890 -7.868 -0.404 335 HB3 GLU 7 HB2 GLU 7 14.378 -8.757 -0.298 336 HG2 GLU 7 HG3 GLU 7 15.432 -9.492 -2.260 337 HG3 GLU 7 HG2 GLU 7 14.137 -8.419 -2.780 338 H ASP 8 H ASP 8 14.723 -6.416 1.757 339 HA ASP 8 HA ASP 8 12.356 -7.618 2.816 340 HB2 ASP 8 HB3 ASP 8 14.737 -6.287 4.057 341 HB3 ASP 8 HB2 ASP 8 13.333 -6.697 5.037 342 H LYS 9 H LYS 9 13.147 -4.390 1.948 343 HA LYS 9 HA LYS 9 11.044 -3.334 3.685 344 HB2 LYS 9 HB3 LYS 9 13.259 -2.036 2.134 345 HB3 LYS 9 HB2 LYS 9 11.894 -1.095 2.720 346 HG2 LYS 9 HG3 LYS 9 12.387 -1.763 5.004 347 HG3 LYS 9 HG2 LYS 9 13.731 -2.755 4.433 348 HD2 LYS 9 HD3 LYS 9 14.919 -0.825 3.673 349 HD3 LYS 9 HD2 LYS 9 13.531 0.219 3.983 350 HE2 LYS 9 HE3 LYS 9 13.726 -0.180 6.363 351 HE3 LYS 9 HE2 LYS 9 15.041 -1.320 6.091 352 HZ1 LYS 9 HZ1 LYS 9 15.783 0.916 6.792 353 HZ2 LYS 9 HZ2 LYS 9 15.154 1.553 5.357 354 HZ3 LYS 9 HZ3 LYS 9 16.426 0.439 5.303 355 H VAL 10 H VAL 10 11.989 -3.155 0.244 356 HA VAL 10 HA VAL 10 9.633 -1.763 -0.508 357 HB VAL 10 HB VAL 10 11.511 -3.363 -2.257 358 HG11 VAL 10 HG11 VAL 10 9.377 -2.932 -3.354 359 HG12 VAL 10 HG12 VAL 10 10.659 -1.965 -4.084 360 HG13 VAL 10 HG13 VAL 10 9.514 -1.216 -2.971 361 HG21 VAL 10 HG21 VAL 10 12.679 -1.624 -1.015 362 HG22 VAL 10 HG22 VAL 10 11.502 -0.427 -1.561 363 HG23 VAL 10 HG23 VAL 10 12.574 -1.205 -2.725 364 H GLU 11 H GLU 11 10.597 -5.185 -0.935 365 HA GLU 11 HA GLU 11 8.134 -5.904 -2.168 366 HB2 GLU 11 HB3 GLU 11 10.231 -7.626 -0.837 367 HB3 GLU 11 HB2 GLU 11 8.880 -8.242 -1.780 368 HG2 GLU 11 HG3 GLU 11 9.735 -6.920 -3.716 369 HG3 GLU 11 HG2 GLU 11 11.162 -6.544 -2.751 370 H GLU 12 H GLU 12 9.140 -5.534 1.107 371 HA GLU 12 HA GLU 12 7.172 -7.000 2.439 372 HB2 GLU 12 HB3 GLU 12 9.060 -5.845 3.552 373 HB3 GLU 12 HB2 GLU 12 8.293 -4.300 3.216 374 HG2 GLU 12 HG3 GLU 12 7.904 -4.950 5.503 375 HG3 GLU 12 HG2 GLU 12 6.386 -4.951 4.605 376 H LEU 13 H LEU 13 7.053 -3.548 1.455 377 HA LEU 13 HA LEU 13 4.285 -3.334 1.958 378 HB2 LEU 13 HB3 LEU 13 6.131 -1.618 0.317 379 HB3 LEU 13 HB2 LEU 13 4.411 -1.297 0.434 380 HG LEU 13 HG LEU 13 4.840 -1.428 2.998 381 HD11 LEU 13 HD11 LEU 13 7.042 -0.549 3.634 382 HD12 LEU 13 HD12 LEU 13 7.578 -0.709 1.961 383 HD13 LEU 13 HD13 LEU 13 7.148 -2.145 2.892 384 HD21 LEU 13 HD21 LEU 13 5.664 0.937 1.313 385 HD22 LEU 13 HD22 LEU 13 5.245 0.998 3.025 386 HD23 LEU 13 HD23 LEU 13 4.025 0.543 1.834 387 H LEU 14 H LEU 14 6.034 -4.463 -0.849 388 HA LEU 14 HA LEU 14 4.058 -4.445 -2.775 389 HB2 LEU 14 HB3 LEU 14 6.262 -6.346 -2.112 390 HB3 LEU 14 HB2 LEU 14 5.085 -6.828 -3.308 391 HG LEU 14 HG LEU 14 7.385 -5.643 -3.926 392 HD11 LEU 14 HD11 LEU 14 6.333 -4.992 -6.048 393 HD12 LEU 14 HD12 LEU 14 4.749 -5.258 -5.318 394 HD13 LEU 14 HD13 LEU 14 5.875 -6.602 -5.502 395 HD21 LEU 14 HD21 LEU 14 7.204 -3.327 -4.349 396 HD22 LEU 14 HD22 LEU 14 6.704 -3.556 -2.673 397 HD23 LEU 14 HD23 LEU 14 5.494 -3.306 -3.932 398 H SER 15 H SER 15 4.605 -6.866 -0.243 399 HA SER 15 HA SER 15 2.211 -8.284 -0.922 400 HB2 SER 15 HB3 SER 15 2.716 -9.422 1.353 401 HB3 SER 15 HB2 SER 15 3.839 -9.668 0.017 402 HG SER 15 HG SER 15 5.331 -8.646 1.086 403 H LYS 16 H LYS 16 3.088 -5.768 1.400 404 HA LYS 16 HA LYS 16 0.794 -5.929 3.006 405 HB2 LYS 16 HB3 LYS 16 2.861 -4.602 3.515 406 HB3 LYS 16 HB2 LYS 16 2.328 -3.419 2.328 407 HG2 LYS 16 HG3 LYS 16 0.374 -2.916 3.625 408 HG3 LYS 16 HG2 LYS 16 0.746 -4.204 4.768 409 HD2 LYS 16 HD3 LYS 16 1.407 -2.125 5.752 410 HD3 LYS 16 HD2 LYS 16 2.871 -3.002 5.306 411 HE2 LYS 16 HE3 LYS 16 3.191 -0.739 4.661 412 HE3 LYS 16 HE2 LYS 16 2.911 -1.663 3.188 413 HZ1 LYS 16 HZ1 LYS 16 0.969 0.078 4.597 414 HZ2 LYS 16 HZ2 LYS 16 0.562 -0.926 3.300 415 HZ3 LYS 16 HZ3 LYS 16 1.660 0.343 3.076 416 H ASN 17 H ASN 17 1.409 -3.848 0.130 417 HA ASN 17 HA ASN 17 -1.308 -2.944 0.228 418 HB2 ASN 17 HB3 ASN 17 -0.827 -1.691 -1.841 419 HB3 ASN 17 HB2 ASN 17 0.294 -1.343 -0.539 420 HD21 ASN 17 HD21 ASN 17 0.460 -4.169 -2.667 421 HD22 ASN 17 HD22 ASN 17 1.928 -3.702 -3.433 422 H TYR 18 H TYR 18 0.259 -5.630 -1.167 423 HA TYR 18 HA TYR 18 -1.484 -6.168 -3.310 424 HB2 TYR 18 HB3 TYR 18 0.628 -7.394 -2.967 425 HB3 TYR 18 HB2 TYR 18 -0.045 -8.145 -1.524 426 HD1 TYR 18 HD1 TYR 18 -0.207 -8.021 -5.201 427 HD2 TYR 18 HD2 TYR 18 -1.586 -9.982 -1.687 428 HE1 TYR 18 HE1 TYR 18 -1.104 -9.850 -6.577 429 HE2 TYR 18 HE2 TYR 18 -2.485 -11.813 -3.055 430 HH TYR 18 HH TYR 18 -1.724 -12.176 -6.375 431 H HIS 19 H HIS 19 -1.557 -7.412 0.040 432 HA HIS 19 HA HIS 19 -4.078 -8.700 -0.281 433 HB2 HIS 19 HB3 HIS 19 -2.542 -7.882 2.191 434 HB3 HIS 19 HB2 HIS 19 -4.058 -8.772 2.251 435 HD1 HIS 19 HD1 HIS 19 -3.941 -11.265 1.938 436 HD2 HIS 19 HD2 HIS 19 -0.380 -9.351 0.966 437 HE1 HIS 19 HE1 HIS 19 -2.266 -13.100 1.552 438 HE2 HIS 19 HE2 HIS 19 -0.160 -11.919 0.831 439 H LEU 20 H LEU 20 -3.060 -5.584 0.921 440 HA LEU 20 HA LEU 20 -5.403 -4.460 1.785 441 HB2 LEU 20 HB3 LEU 20 -3.412 -3.278 2.048 442 HB3 LEU 20 HB2 LEU 20 -2.973 -3.469 0.373 443 HG LEU 20 HG LEU 20 -3.513 -1.169 1.171 444 HD11 LEU 20 HD11 LEU 20 -4.558 -0.594 -0.961 445 HD12 LEU 20 HD12 LEU 20 -4.959 -2.285 -1.213 446 HD13 LEU 20 HD13 LEU 20 -3.273 -1.777 -1.153 447 HD21 LEU 20 HD21 LEU 20 -5.881 -0.514 1.131 448 HD22 LEU 20 HD22 LEU 20 -5.515 -1.620 2.456 449 HD23 LEU 20 HD23 LEU 20 -6.333 -2.215 1.011 450 H GLU 21 H GLU 21 -4.228 -4.730 -1.579 451 HA GLU 21 HA GLU 21 -6.377 -3.228 -2.653 452 HB2 GLU 21 HB3 GLU 21 -4.419 -5.119 -3.935 453 HB3 GLU 21 HB2 GLU 21 -5.647 -4.255 -4.853 454 HG2 GLU 21 HG3 GLU 21 -4.726 -2.122 -4.073 455 HG3 GLU 21 HG2 GLU 21 -3.496 -2.992 -3.162 456 H ASN 22 H ASN 22 -6.156 -6.482 -1.613 457 HA ASN 22 HA ASN 22 -8.419 -7.476 -3.043 458 HB2 ASN 22 HB3 ASN 22 -7.257 -8.377 -0.393 459 HB3 ASN 22 HB2 ASN 22 -8.462 -9.256 -1.323 460 HD21 ASN 22 HD21 ASN 22 -5.833 -10.087 -0.463 461 HD22 ASN 22 HD22 ASN 22 -4.966 -10.513 -1.898 462 H GLU 23 H GLU 23 -7.888 -5.665 -0.126 463 HA GLU 23 HA GLU 23 -10.541 -5.963 0.916 464 HB2 GLU 23 HB3 GLU 23 -8.608 -5.544 2.383 465 HB3 GLU 23 HB2 GLU 23 -8.380 -3.959 1.618 466 HG2 GLU 23 HG3 GLU 23 -10.506 -3.207 2.480 467 HG3 GLU 23 HG2 GLU 23 -10.836 -4.804 3.151 468 H VAL 24 H VAL 24 -8.870 -3.606 -1.100 469 HA VAL 24 HA VAL 24 -10.931 -1.656 -1.072 470 HB VAL 24 HB VAL 24 -9.138 -2.162 -3.444 471 HG11 VAL 24 HG11 VAL 24 -9.327 0.271 -3.741 472 HG12 VAL 24 HG12 VAL 24 -10.386 0.358 -2.332 473 HG13 VAL 24 HG13 VAL 24 -10.903 -0.518 -3.774 474 HG21 VAL 24 HG21 VAL 24 -8.460 -0.755 -0.877 475 HG22 VAL 24 HG22 VAL 24 -7.549 -0.559 -2.369 476 HG23 VAL 24 HG23 VAL 24 -7.639 -2.137 -1.591 477 H ALA 25 H ALA 25 -10.330 -4.562 -2.929 478 HA ALA 25 HA ALA 25 -12.474 -4.180 -4.774 479 HB1 ALA 25 HB1 ALA 25 -12.074 -6.483 -5.428 480 HB2 ALA 25 HB2 ALA 25 -11.063 -6.731 -4.007 481 HB3 ALA 25 HB3 ALA 25 -10.545 -5.618 -5.273 482 H ARG 26 H ARG 26 -12.171 -5.576 -1.581 483 HA ARG 26 HA ARG 26 -14.556 -7.079 -1.585 484 HB2 ARG 26 HB3 ARG 26 -14.115 -7.532 0.615 485 HB3 ARG 26 HB2 ARG 26 -12.533 -6.942 0.144 486 HG2 ARG 26 HG3 ARG 26 -12.997 -4.773 1.123 487 HG3 ARG 26 HG2 ARG 26 -14.645 -5.286 1.511 488 HD2 ARG 26 HD2 ARG 26 -12.090 -6.449 2.620 489 HD3 ARG 26 HD1 ARG 26 -13.224 -5.407 3.477 490 HE ARG 26 HE ARG 26 -14.043 -8.050 2.469 491 HH11 ARG 26 HH11 ARG 26 -13.662 -5.783 5.123 492 HH12 ARG 26 HH12 ARG 26 -14.550 -6.764 6.244 493 HH21 ARG 26 HH21 ARG 26 -15.189 -9.340 3.951 494 HH22 ARG 26 HH22 ARG 26 -15.422 -8.779 5.576 495 H LEU 27 H LEU 27 -13.816 -3.783 -0.632 496 HA LEU 27 HA LEU 27 -16.481 -3.106 0.099 497 HB2 LEU 27 HB3 LEU 27 -14.187 -1.320 -0.681 498 HB3 LEU 27 HB2 LEU 27 -15.677 -0.815 0.079 499 HG LEU 27 HG LEU 27 -13.899 -2.795 1.417 500 HD11 LEU 27 HD11 LEU 27 -13.752 0.188 1.733 501 HD12 LEU 27 HD12 LEU 27 -12.590 -0.775 0.822 502 HD13 LEU 27 HD13 LEU 27 -12.774 -1.023 2.559 503 HD21 LEU 27 HD21 LEU 27 -14.991 -1.792 3.419 504 HD22 LEU 27 HD22 LEU 27 -16.109 -2.603 2.323 505 HD23 LEU 27 HD23 LEU 27 -15.999 -0.841 2.323 506 H LYS 28 H LYS 28 -14.548 -2.576 -2.821 507 HA LYS 28 HA LYS 28 -16.279 -0.986 -4.244 508 HB2 LYS 28 HB3 LYS 28 -13.945 -1.668 -4.883 509 HB3 LYS 28 HB2 LYS 28 -14.614 -3.192 -5.449 510 HG2 LYS 28 HG3 LYS 28 -15.881 -2.100 -7.139 511 HG3 LYS 28 HG2 LYS 28 -15.495 -0.509 -6.479 512 HD2 LYS 28 HD3 LYS 28 -13.106 -0.929 -6.981 513 HD3 LYS 28 HD2 LYS 28 -13.564 -2.458 -7.735 514 HE2 LYS 28 HE3 LYS 28 -14.902 -1.280 -9.374 515 HE3 LYS 28 HE2 LYS 28 -14.551 0.259 -8.591 516 HZ1 LYS 28 HZ1 LYS 28 -13.159 -0.054 -10.516 517 HZ2 LYS 28 HZ2 LYS 28 -12.571 -1.516 -9.908 518 HZ3 LYS 28 HZ3 LYS 28 -12.206 -0.066 -9.121 519 H LYS 29 H LYS 29 -16.327 -4.548 -4.014 520 HA LYS 29 HA LYS 29 -18.522 -4.732 -5.828 521 HB2 LYS 29 HB3 LYS 29 -18.545 -7.080 -5.319 522 HB3 LYS 29 HB2 LYS 29 -16.907 -6.551 -5.623 523 HG2 LYS 29 HG3 LYS 29 -16.458 -6.548 -3.224 524 HG3 LYS 29 HG2 LYS 29 -18.116 -7.071 -2.912 525 HD2 LYS 29 HD3 LYS 29 -17.717 -9.122 -4.170 526 HD3 LYS 29 HD2 LYS 29 -16.073 -8.597 -4.530 527 HE2 LYS 29 HE3 LYS 29 -16.085 -10.209 -2.709 528 HE3 LYS 29 HE2 LYS 29 -15.542 -8.634 -2.142 529 HZ1 LYS 29 HZ1 LYS 29 -17.713 -8.242 -1.205 530 HZ2 LYS 29 HZ2 LYS 29 -17.097 -9.696 -0.608 531 HZ3 LYS 29 HZ3 LYS 29 -18.286 -9.714 -1.808 532 H LEU 30 H LEU 30 -18.196 -4.314 -2.417 533 HA LEU 30 HA LEU 30 -20.868 -5.043 -1.729 534 HB2 LEU 30 HB3 LEU 30 -18.766 -3.383 -0.382 535 HB3 LEU 30 HB2 LEU 30 -20.357 -3.614 0.321 536 HG LEU 30 HG LEU 30 -18.368 -5.807 -0.285 537 HD11 LEU 30 HD11 LEU 30 -19.237 -4.596 2.333 538 HD12 LEU 30 HD12 LEU 30 -17.660 -4.401 1.570 539 HD13 LEU 30 HD13 LEU 30 -18.171 -5.989 2.145 540 HD21 LEU 30 HD21 LEU 30 -20.648 -6.607 -0.493 541 HD22 LEU 30 HD22 LEU 30 -21.063 -5.897 1.065 542 HD23 LEU 30 HD23 LEU 30 -19.918 -7.234 0.983 543 H VAL 31 H VAL 31 -19.324 -2.129 -2.892 544 HA VAL 31 HA VAL 31 -21.657 -0.496 -2.376 545 HB VAL 31 HB VAL 31 -19.255 0.259 -4.050 546 HG11 VAL 31 HG11 VAL 31 -19.875 2.542 -3.469 547 HG12 VAL 31 HG12 VAL 31 -21.245 1.945 -2.534 548 HG13 VAL 31 HG13 VAL 31 -21.204 1.719 -4.284 549 HG21 VAL 31 HG21 VAL 31 -18.296 1.250 -2.047 550 HG22 VAL 31 HG22 VAL 31 -18.518 -0.486 -1.836 551 HG23 VAL 31 HG23 VAL 31 -19.644 0.644 -1.086 552 H GLY 32 H GLY 32 -20.348 -2.363 -5.025 553 HA2 GLY 32 HA3 GLY 32 -22.750 -2.123 -6.512 554 HA3 GLY 32 HA2 GLY 32 -21.528 -1.062 -7.186 555 H GLU 33 H GLU 33 -19.361 -3.025 -6.457 556 HA GLU 33 HA GLU 33 -18.128 -4.527 -7.628 557 HB2 GLU 33 HB3 GLU 33 -19.857 -6.099 -6.802 558 HB3 GLU 33 HB2 GLU 33 -20.796 -5.803 -8.254 559 HG2 GLU 33 HG3 GLU 33 -18.971 -6.713 -9.612 560 HG3 GLU 33 HG2 GLU 33 -18.053 -7.033 -8.141 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 26.433 1.508 -3.064 2 H2 GLY 1 H2 GLY 1 25.898 2.909 -2.283 3 H3 GLY 1 H3 GLY 1 27.154 2.997 -3.411 4 HA2 GLY 1 HA2 GLY 1 25.092 3.811 -4.360 5 HA3 GLY 1 HA3 GLY 1 25.675 2.376 -5.189 6 H SER 2 H SER 2 22.979 3.471 -5.000 7 HA SER 2 HA SER 2 20.897 2.520 -5.170 8 HB2 SER 2 HB3 SER 2 22.205 -0.011 -4.137 9 HB3 SER 2 HB2 SER 2 20.577 0.109 -4.803 10 HG SER 2 HG SER 2 21.381 0.407 -6.786 11 H MET 3 H MET 3 22.392 3.481 -2.631 12 HA MET 3 HA MET 3 20.783 2.430 -0.493 13 HB2 MET 3 HB3 MET 3 23.068 3.189 -0.087 14 HB3 MET 3 HB2 MET 3 22.648 4.802 -0.645 15 HG2 MET 3 HG3 MET 3 22.744 4.783 1.756 16 HG3 MET 3 HG2 MET 3 21.070 5.001 1.249 17 HE1 MET 3 HE1 MET 3 20.159 4.357 3.662 18 HE2 MET 3 HE2 MET 3 21.831 4.215 4.206 19 HE3 MET 3 HE3 MET 3 20.679 2.921 4.544 20 H LYS 4 H LYS 4 21.063 5.549 -2.161 21 HA LYS 4 HA LYS 4 18.870 6.763 -0.859 22 HB2 LYS 4 HB3 LYS 4 20.650 8.051 -1.935 23 HB3 LYS 4 HB2 LYS 4 20.184 7.415 -3.504 24 HG2 LYS 4 HG3 LYS 4 18.031 8.547 -3.336 25 HG3 LYS 4 HG2 LYS 4 18.479 9.172 -1.750 26 HD2 LYS 4 HD3 LYS 4 20.196 9.710 -4.145 27 HD3 LYS 4 HD2 LYS 4 18.763 10.685 -3.835 28 HE2 LYS 4 HE3 LYS 4 20.698 11.788 -2.913 29 HE3 LYS 4 HE2 LYS 4 19.656 11.241 -1.606 30 HZ1 LYS 4 HZ1 LYS 4 22.042 9.743 -2.530 31 HZ2 LYS 4 HZ2 LYS 4 21.126 9.459 -1.133 32 HZ3 LYS 4 HZ3 LYS 4 22.068 10.855 -1.256 33 H GLN 5 H GLN 5 19.209 5.186 -4.014 34 HA GLN 5 HA GLN 5 16.651 5.703 -4.990 35 HB2 GLN 5 HB3 GLN 5 18.550 3.430 -5.552 36 HB3 GLN 5 HB2 GLN 5 17.023 3.619 -6.399 37 HG2 GLN 5 HG3 GLN 5 18.677 4.535 -7.792 38 HG3 GLN 5 HG2 GLN 5 17.813 5.901 -7.093 39 HE21 GLN 5 HE21 GLN 5 20.774 4.093 -7.131 40 HE22 GLN 5 HE22 GLN 5 21.747 5.284 -6.336 41 H LEU 6 H LEU 6 17.830 2.923 -3.121 42 HA LEU 6 HA LEU 6 15.343 1.563 -3.145 43 HB2 LEU 6 HB3 LEU 6 17.920 1.263 -1.714 44 HB3 LEU 6 HB2 LEU 6 16.516 0.509 -0.995 45 HG LEU 6 HG LEU 6 16.154 -0.837 -2.977 46 HD11 LEU 6 HD11 LEU 6 18.548 0.587 -4.127 47 HD12 LEU 6 HD12 LEU 6 16.879 0.731 -4.682 48 HD13 LEU 6 HD13 LEU 6 17.735 -0.802 -4.847 49 HD21 LEU 6 HD21 LEU 6 17.669 -1.712 -1.298 50 HD22 LEU 6 HD22 LEU 6 19.026 -0.891 -2.070 51 HD23 LEU 6 HD23 LEU 6 18.190 -2.196 -2.911 52 H GLU 7 H GLU 7 16.798 3.907 -0.957 53 HA GLU 7 HA GLU 7 14.829 3.774 1.061 54 HB2 GLU 7 HB3 GLU 7 16.762 5.900 0.189 55 HB3 GLU 7 HB2 GLU 7 15.552 6.246 1.418 56 HG2 GLU 7 HG3 GLU 7 17.589 4.037 1.574 57 HG3 GLU 7 HG2 GLU 7 17.726 5.609 2.362 58 H ASP 8 H ASP 8 15.043 5.567 -1.959 59 HA ASP 8 HA ASP 8 12.649 7.047 -1.574 60 HB2 ASP 8 HB3 ASP 8 14.313 6.391 -3.988 61 HB3 ASP 8 HB2 ASP 8 12.755 7.195 -4.162 62 H LYS 9 H LYS 9 13.374 3.903 -2.968 63 HA LYS 9 HA LYS 9 10.907 3.392 -4.176 64 HB2 LYS 9 HB3 LYS 9 12.947 1.531 -2.971 65 HB3 LYS 9 HB2 LYS 9 11.506 0.953 -3.794 66 HG2 LYS 9 HG3 LYS 9 12.217 2.126 -5.828 67 HG3 LYS 9 HG2 LYS 9 13.682 2.650 -4.995 68 HD2 LYS 9 HD3 LYS 9 14.390 0.353 -4.720 69 HD3 LYS 9 HD2 LYS 9 12.879 -0.227 -5.425 70 HE2 LYS 9 HE3 LYS 9 14.927 1.464 -6.855 71 HE3 LYS 9 HE2 LYS 9 14.764 -0.285 -7.016 72 HZ1 LYS 9 HZ1 LYS 9 12.546 0.027 -7.897 73 HZ2 LYS 9 HZ2 LYS 9 13.661 0.906 -8.816 74 HZ3 LYS 9 HZ3 LYS 9 12.667 1.703 -7.706 75 H VAL 10 H VAL 10 12.003 2.199 -0.979 76 HA VAL 10 HA VAL 10 9.531 1.152 -0.209 77 HB VAL 10 HB VAL 10 11.535 0.563 1.005 78 HG11 VAL 10 HG11 VAL 10 12.738 2.674 0.880 79 HG12 VAL 10 HG12 VAL 10 12.640 2.103 2.545 80 HG13 VAL 10 HG13 VAL 10 11.588 3.408 1.998 81 HG21 VAL 10 HG21 VAL 10 9.547 2.002 2.755 82 HG22 VAL 10 HG22 VAL 10 10.724 0.816 3.318 83 HG23 VAL 10 HG23 VAL 10 9.448 0.330 2.201 84 H GLU 11 H GLU 11 10.841 4.405 0.184 85 HA GLU 11 HA GLU 11 8.787 5.469 1.778 86 HB2 GLU 11 HB3 GLU 11 10.944 6.581 1.444 87 HB3 GLU 11 HB2 GLU 11 10.562 6.836 -0.254 88 HG2 GLU 11 HG3 GLU 11 8.679 8.264 0.402 89 HG3 GLU 11 HG2 GLU 11 9.116 8.036 2.095 90 H GLU 12 H GLU 12 9.269 5.567 -1.748 91 HA GLU 12 HA GLU 12 6.879 6.892 -2.370 92 HB2 GLU 12 HB3 GLU 12 8.563 4.993 -3.992 93 HB3 GLU 12 HB2 GLU 12 7.166 5.831 -4.651 94 HG2 GLU 12 HG3 GLU 12 8.207 7.975 -4.182 95 HG3 GLU 12 HG2 GLU 12 9.593 7.155 -3.465 96 H LEU 13 H LEU 13 7.520 3.353 -2.245 97 HA LEU 13 HA LEU 13 4.856 2.801 -3.047 98 HB2 LEU 13 HB3 LEU 13 7.112 1.117 -2.093 99 HB3 LEU 13 HB2 LEU 13 5.502 0.428 -2.230 100 HG LEU 13 HG LEU 13 5.549 1.475 -4.614 101 HD11 LEU 13 HD11 LEU 13 8.494 1.212 -4.025 102 HD12 LEU 13 HD12 LEU 13 7.620 2.703 -4.378 103 HD13 LEU 13 HD13 LEU 13 7.787 1.463 -5.622 104 HD21 LEU 13 HD21 LEU 13 7.083 -1.004 -3.843 105 HD22 LEU 13 HD22 LEU 13 6.588 -0.607 -5.485 106 HD23 LEU 13 HD23 LEU 13 5.369 -0.887 -4.244 107 H LEU 14 H LEU 14 6.115 3.547 0.097 108 HA LEU 14 HA LEU 14 3.694 2.465 1.276 109 HB2 LEU 14 HB3 LEU 14 4.449 3.381 3.397 110 HB3 LEU 14 HB2 LEU 14 5.652 2.357 2.657 111 HG LEU 14 HG LEU 14 6.707 4.594 1.852 112 HD11 LEU 14 HD11 LEU 14 4.853 6.045 2.541 113 HD12 LEU 14 HD12 LEU 14 6.345 6.453 3.387 114 HD13 LEU 14 HD13 LEU 14 5.085 5.539 4.215 115 HD21 LEU 14 HD21 LEU 14 7.711 3.020 3.402 116 HD22 LEU 14 HD22 LEU 14 6.753 3.685 4.723 117 HD23 LEU 14 HD23 LEU 14 7.987 4.679 3.940 118 H SER 15 H SER 15 4.767 5.317 -0.208 119 HA SER 15 HA SER 15 2.782 7.078 0.737 120 HB2 SER 15 HB3 SER 15 4.720 7.950 -0.436 121 HB3 SER 15 HB2 SER 15 4.315 7.013 -1.872 122 HG SER 15 HG SER 15 3.131 9.341 -0.856 123 H LYS 16 H LYS 16 2.951 4.905 -2.147 124 HA LYS 16 HA LYS 16 0.287 5.482 -2.913 125 HB2 LYS 16 HB3 LYS 16 0.415 3.598 -4.407 126 HB3 LYS 16 HB2 LYS 16 1.970 4.413 -4.424 127 HG2 LYS 16 HG3 LYS 16 2.884 2.680 -2.959 128 HG3 LYS 16 HG2 LYS 16 1.321 1.859 -2.966 129 HD2 LYS 16 HD3 LYS 16 1.488 1.748 -5.465 130 HD3 LYS 16 HD2 LYS 16 3.134 2.362 -5.325 131 HE2 LYS 16 HE3 LYS 16 3.831 0.406 -4.116 132 HE3 LYS 16 HE2 LYS 16 2.162 -0.155 -3.981 133 HZ1 LYS 16 HZ1 LYS 16 3.307 -1.345 -5.714 134 HZ2 LYS 16 HZ2 LYS 16 3.724 0.097 -6.491 135 HZ3 LYS 16 HZ3 LYS 16 2.103 -0.376 -6.398 136 H ASN 17 H ASN 17 1.475 3.490 -0.337 137 HA ASN 17 HA ASN 17 -0.791 1.855 0.043 138 HB2 ASN 17 HB3 ASN 17 1.483 2.726 1.745 139 HB3 ASN 17 HB2 ASN 17 0.034 2.192 2.584 140 HD21 ASN 17 HD21 ASN 17 2.752 1.256 0.718 141 HD22 ASN 17 HD22 ASN 17 2.483 -0.450 0.789 142 H TYR 18 H TYR 18 -0.011 5.132 1.084 143 HA TYR 18 HA TYR 18 -2.236 5.466 2.793 144 HB2 TYR 18 HB3 TYR 18 -0.657 7.554 1.272 145 HB3 TYR 18 HB2 TYR 18 -1.799 7.895 2.567 146 HD1 TYR 18 HD1 TYR 18 1.506 7.911 1.956 147 HD2 TYR 18 HD2 TYR 18 -1.215 6.108 4.677 148 HE1 TYR 18 HE1 TYR 18 3.321 7.660 3.596 149 HE2 TYR 18 HE2 TYR 18 0.588 5.853 6.326 150 HH TYR 18 HH TYR 18 3.570 7.427 6.044 151 H HIS 19 H HIS 19 -1.690 6.156 -0.621 152 HA HIS 19 HA HIS 19 -4.224 7.308 -1.117 153 HB2 HIS 19 HB3 HIS 19 -2.268 5.945 -2.978 154 HB3 HIS 19 HB2 HIS 19 -3.730 6.758 -3.525 155 HD1 HIS 19 HD1 HIS 19 -0.451 7.464 -3.764 156 HD2 HIS 19 HD2 HIS 19 -3.513 9.524 -1.852 157 HE1 HIS 19 HE1 HIS 19 0.357 9.836 -3.552 158 HE2 HIS 19 HE2 HIS 19 -1.560 11.084 -2.504 159 H LEU 20 H LEU 20 -3.008 4.001 -1.290 160 HA LEU 20 HA LEU 20 -5.354 2.768 -2.210 161 HB2 LEU 20 HB3 LEU 20 -2.836 1.962 -1.034 162 HB3 LEU 20 HB2 LEU 20 -4.153 0.994 -0.403 163 HG LEU 20 HG LEU 20 -3.056 -0.049 -2.348 164 HD11 LEU 20 HD11 LEU 20 -5.080 -0.569 -3.594 165 HD12 LEU 20 HD12 LEU 20 -5.893 0.816 -2.869 166 HD13 LEU 20 HD13 LEU 20 -5.395 -0.540 -1.860 167 HD21 LEU 20 HD21 LEU 20 -2.417 1.967 -3.559 168 HD22 LEU 20 HD22 LEU 20 -4.116 2.331 -3.866 169 HD23 LEU 20 HD23 LEU 20 -3.381 0.896 -4.579 170 H GLU 21 H GLU 21 -4.249 3.545 1.070 171 HA GLU 21 HA GLU 21 -6.443 2.396 2.424 172 HB2 GLU 21 HB3 GLU 21 -4.210 3.130 3.402 173 HB3 GLU 21 HB2 GLU 21 -4.841 4.770 3.379 174 HG2 GLU 21 HG3 GLU 21 -6.407 2.635 4.729 175 HG3 GLU 21 HG2 GLU 21 -4.987 3.293 5.534 176 H ASN 22 H ASN 22 -5.895 5.581 1.045 177 HA ASN 22 HA ASN 22 -8.217 6.853 1.973 178 HB2 ASN 22 HB3 ASN 22 -6.474 7.272 -0.432 179 HB3 ASN 22 HB2 ASN 22 -7.970 8.180 -0.263 180 HD21 ASN 22 HD21 ASN 22 -5.989 7.230 2.461 181 HD22 ASN 22 HD22 ASN 22 -5.447 8.819 2.863 182 H GLU 23 H GLU 23 -7.735 4.501 -0.534 183 HA GLU 23 HA GLU 23 -10.309 4.885 -1.757 184 HB2 GLU 23 HB3 GLU 23 -8.338 2.592 -1.952 185 HB3 GLU 23 HB2 GLU 23 -9.805 2.760 -2.940 186 HG2 GLU 23 HG3 GLU 23 -8.916 4.818 -3.899 187 HG3 GLU 23 HG2 GLU 23 -7.464 4.662 -2.910 188 H VAL 24 H VAL 24 -8.885 2.692 0.614 189 HA VAL 24 HA VAL 24 -11.151 1.026 0.866 190 HB VAL 24 HB VAL 24 -9.020 1.494 2.963 191 HG11 VAL 24 HG11 VAL 24 -11.010 0.319 3.782 192 HG12 VAL 24 HG12 VAL 24 -9.603 -0.741 3.741 193 HG13 VAL 24 HG13 VAL 24 -10.841 -0.871 2.490 194 HG21 VAL 24 HG21 VAL 24 -7.876 -0.437 2.000 195 HG22 VAL 24 HG22 VAL 24 -7.999 0.885 0.840 196 HG23 VAL 24 HG23 VAL 24 -9.074 -0.508 0.711 197 H ALA 25 H ALA 25 -10.157 3.997 2.417 198 HA ALA 25 HA ALA 25 -12.123 3.910 4.484 199 HB1 ALA 25 HB1 ALA 25 -11.467 6.168 4.979 200 HB2 ALA 25 HB2 ALA 25 -10.662 6.317 3.420 201 HB3 ALA 25 HB3 ALA 25 -10.024 5.212 4.638 202 H ARG 26 H ARG 26 -12.017 5.283 1.240 203 HA ARG 26 HA ARG 26 -14.320 6.910 1.543 204 HB2 ARG 26 HB3 ARG 26 -14.085 7.439 -0.728 205 HB3 ARG 26 HB2 ARG 26 -12.456 7.091 -0.189 206 HG2 ARG 26 HG3 ARG 26 -12.597 4.853 -1.188 207 HG3 ARG 26 HG2 ARG 26 -14.217 5.250 -1.776 208 HD2 ARG 26 HD2 ARG 26 -12.482 5.538 -3.499 209 HD3 ARG 26 HD1 ARG 26 -13.334 7.034 -3.130 210 HE ARG 26 HE ARG 26 -11.194 7.219 -1.530 211 HH11 ARG 26 HH11 ARG 26 -11.465 6.379 -4.916 212 HH12 ARG 26 HH12 ARG 26 -9.946 7.092 -5.348 213 HH21 ARG 26 HH21 ARG 26 -9.198 8.167 -2.094 214 HH22 ARG 26 HH22 ARG 26 -8.647 8.102 -3.739 215 H LEU 27 H LEU 27 -13.777 3.705 0.246 216 HA LEU 27 HA LEU 27 -16.417 3.209 -0.632 217 HB2 LEU 27 HB3 LEU 27 -14.147 1.414 0.143 218 HB3 LEU 27 HB2 LEU 27 -15.698 0.777 -0.347 219 HG LEU 27 HG LEU 27 -14.195 2.676 -2.085 220 HD11 LEU 27 HD11 LEU 27 -12.753 0.791 -1.484 221 HD12 LEU 27 HD12 LEU 27 -13.158 0.848 -3.202 222 HD13 LEU 27 HD13 LEU 27 -13.971 -0.302 -2.141 223 HD21 LEU 27 HD21 LEU 27 -15.481 1.578 -3.857 224 HD22 LEU 27 HD22 LEU 27 -16.530 2.300 -2.637 225 HD23 LEU 27 HD23 LEU 27 -16.254 0.557 -2.644 226 H LYS 28 H LYS 28 -14.772 2.512 2.403 227 HA LYS 28 HA LYS 28 -16.674 1.115 3.781 228 HB2 LYS 28 HB3 LYS 28 -14.482 1.679 4.702 229 HB3 LYS 28 HB2 LYS 28 -14.951 3.368 4.831 230 HG2 LYS 28 HG3 LYS 28 -15.033 2.247 6.987 231 HG3 LYS 28 HG2 LYS 28 -16.631 2.796 6.487 232 HD2 LYS 28 HD3 LYS 28 -17.157 0.520 5.720 233 HD3 LYS 28 HD2 LYS 28 -15.568 -0.021 6.269 234 HE2 LYS 28 HE3 LYS 28 -16.124 0.546 8.552 235 HE3 LYS 28 HE2 LYS 28 -17.665 1.230 8.038 236 HZ1 LYS 28 HZ1 LYS 28 -16.868 -1.621 7.822 237 HZ2 LYS 28 HZ2 LYS 28 -18.340 -0.976 7.299 238 HZ3 LYS 28 HZ3 LYS 28 -17.955 -0.977 8.943 239 H LYS 29 H LYS 29 -16.620 4.617 3.230 240 HA LYS 29 HA LYS 29 -18.940 5.181 4.760 241 HB2 LYS 29 HB3 LYS 29 -17.343 6.670 2.717 242 HB3 LYS 29 HB2 LYS 29 -18.926 7.274 3.166 243 HG2 LYS 29 HG3 LYS 29 -17.177 8.375 4.432 244 HG3 LYS 29 HG2 LYS 29 -18.222 7.435 5.494 245 HD2 LYS 29 HD3 LYS 29 -16.563 5.647 5.553 246 HD3 LYS 29 HD2 LYS 29 -15.527 6.562 4.457 247 HE2 LYS 29 HE3 LYS 29 -15.334 8.341 6.118 248 HE3 LYS 29 HE2 LYS 29 -16.383 7.440 7.212 249 HZ1 LYS 29 HZ1 LYS 29 -13.739 6.524 6.221 250 HZ2 LYS 29 HZ2 LYS 29 -14.742 5.677 7.286 251 HZ3 LYS 29 HZ3 LYS 29 -14.048 7.143 7.762 252 H LEU 30 H LEU 30 -18.364 4.488 1.359 253 HA LEU 30 HA LEU 30 -20.948 5.019 0.392 254 HB2 LEU 30 HB3 LEU 30 -18.586 3.504 -0.560 255 HB3 LEU 30 HB2 LEU 30 -20.116 3.143 -1.329 256 HG LEU 30 HG LEU 30 -18.743 4.790 -2.572 257 HD11 LEU 30 HD11 LEU 30 -21.305 5.983 -1.529 258 HD12 LEU 30 HD12 LEU 30 -21.213 4.721 -2.755 259 HD13 LEU 30 HD13 LEU 30 -20.521 6.310 -3.074 260 HD21 LEU 30 HD21 LEU 30 -18.542 7.074 -1.720 261 HD22 LEU 30 HD22 LEU 30 -17.693 5.920 -0.691 262 HD23 LEU 30 HD23 LEU 30 -19.256 6.564 -0.190 263 H VAL 31 H VAL 31 -19.539 2.146 1.848 264 HA VAL 31 HA VAL 31 -21.700 0.407 1.220 265 HB VAL 31 HB VAL 31 -19.653 0.141 3.437 266 HG11 VAL 31 HG11 VAL 31 -21.455 -1.920 2.172 267 HG12 VAL 31 HG12 VAL 31 -21.579 -1.295 3.816 268 HG13 VAL 31 HG13 VAL 31 -20.177 -2.255 3.342 269 HG21 VAL 31 HG21 VAL 31 -18.599 0.324 1.261 270 HG22 VAL 31 HG22 VAL 31 -19.656 -0.936 0.624 271 HG23 VAL 31 HG23 VAL 31 -18.469 -1.326 1.870 272 H GLY 32 H GLY 32 -21.111 2.710 3.774 273 HA2 GLY 32 HA3 GLY 32 -23.549 3.301 4.572 274 HA3 GLY 32 HA2 GLY 32 -23.395 1.711 5.301 275 H GLU 33 H GLU 33 -20.991 4.292 4.964 276 HA GLU 33 HA GLU 33 -19.761 5.461 6.470 277 HB2 GLU 33 HB3 GLU 33 -22.157 6.085 7.177 278 HB3 GLU 33 HB2 GLU 33 -21.921 4.969 8.511 279 HG2 GLU 33 HG3 GLU 33 -20.111 7.310 7.968 280 HG3 GLU 33 HG2 GLU 33 -21.518 7.388 9.021 281 H1 GLY 1 H1 GLY 1 26.459 -1.718 2.358 282 H2 GLY 1 H2 GLY 1 25.905 -3.107 1.572 283 H3 GLY 1 H3 GLY 1 27.170 -3.216 2.689 284 HA2 GLY 1 HA2 GLY 1 25.111 -4.015 3.652 285 HA3 GLY 1 HA3 GLY 1 25.708 -2.587 4.482 286 H SER 2 H SER 2 23.001 -3.670 4.301 287 HA SER 2 HA SER 2 20.921 -2.713 4.479 288 HB2 SER 2 HB3 SER 2 22.237 -0.185 3.450 289 HB3 SER 2 HB2 SER 2 20.607 -0.301 4.113 290 HG SER 2 HG SER 2 21.404 -0.579 6.094 291 H MET 3 H MET 3 22.400 -3.679 1.938 292 HA MET 3 HA MET 3 20.787 -2.626 -0.196 293 HB2 MET 3 HB3 MET 3 23.070 -3.392 -0.607 294 HB3 MET 3 HB2 MET 3 22.648 -5.005 -0.048 295 HG2 MET 3 HG3 MET 3 22.734 -4.993 -2.445 296 HG3 MET 3 HG2 MET 3 21.057 -5.192 -1.938 297 HE1 MET 3 HE1 MET 3 20.139 -4.553 -4.330 298 HE2 MET 3 HE2 MET 3 21.804 -4.425 -4.896 299 HE3 MET 3 HE3 MET 3 20.657 -3.125 -5.226 300 H LYS 4 H LYS 4 21.070 -5.747 1.464 301 HA LYS 4 HA LYS 4 18.862 -6.959 0.189 302 HB2 LYS 4 HB3 LYS 4 20.651 -8.246 1.262 303 HB3 LYS 4 HB2 LYS 4 20.187 -7.605 2.830 304 HG2 LYS 4 HG3 LYS 4 18.034 -8.734 2.671 305 HG3 LYS 4 HG2 LYS 4 18.474 -9.361 1.082 306 HD2 LYS 4 HD3 LYS 4 20.198 -9.904 3.474 307 HD3 LYS 4 HD2 LYS 4 18.759 -10.873 3.169 308 HE2 LYS 4 HE3 LYS 4 20.688 -11.982 2.241 309 HE3 LYS 4 HE2 LYS 4 19.642 -11.435 0.935 310 HZ1 LYS 4 HZ1 LYS 4 22.038 -9.947 1.852 311 HZ2 LYS 4 HZ2 LYS 4 21.117 -9.651 0.464 312 HZ3 LYS 4 HZ3 LYS 4 22.054 -11.051 0.576 313 H GLN 5 H GLN 5 19.227 -5.369 3.334 314 HA GLN 5 HA GLN 5 16.673 -5.881 4.323 315 HB2 GLN 5 HB3 GLN 5 18.576 -3.614 4.880 316 HB3 GLN 5 HB2 GLN 5 17.052 -3.801 5.732 317 HG2 GLN 5 HG3 GLN 5 18.715 -4.719 7.120 318 HG3 GLN 5 HG2 GLN 5 17.839 -6.081 6.429 319 HE21 GLN 5 HE21 GLN 5 20.811 -4.297 6.446 320 HE22 GLN 5 HE22 GLN 5 21.769 -5.491 5.643 321 H LEU 6 H LEU 6 17.852 -3.105 2.448 322 HA LEU 6 HA LEU 6 15.365 -1.744 2.482 323 HB2 LEU 6 HB3 LEU 6 17.935 -1.453 1.040 324 HB3 LEU 6 HB2 LEU 6 16.530 -0.697 0.324 325 HG LEU 6 HG LEU 6 16.177 0.654 2.306 326 HD11 LEU 6 HD11 LEU 6 18.573 -0.772 3.452 327 HD12 LEU 6 HD12 LEU 6 16.905 -0.914 4.011 328 HD13 LEU 6 HD13 LEU 6 17.763 0.620 4.172 329 HD21 LEU 6 HD21 LEU 6 17.689 1.523 0.620 330 HD22 LEU 6 HD22 LEU 6 19.047 0.702 1.388 331 HD23 LEU 6 HD23 LEU 6 18.216 2.010 2.230 332 H GLU 7 H GLU 7 16.803 -4.093 0.288 333 HA GLU 7 HA GLU 7 14.823 -3.959 -1.721 334 HB2 GLU 7 HB3 GLU 7 16.754 -6.089 -0.853 335 HB3 GLU 7 HB2 GLU 7 15.540 -6.432 -2.077 336 HG2 GLU 7 HG3 GLU 7 17.582 -4.229 -2.243 337 HG3 GLU 7 HG2 GLU 7 17.715 -5.803 -3.027 338 H ASP 8 H ASP 8 15.053 -5.752 1.303 339 HA ASP 8 HA ASP 8 12.654 -7.227 0.932 340 HB2 ASP 8 HB3 ASP 8 14.325 -6.570 3.340 341 HB3 ASP 8 HB2 ASP 8 12.765 -7.367 3.523 342 H LYS 9 H LYS 9 13.388 -4.081 2.319 343 HA LYS 9 HA LYS 9 10.927 -3.563 3.533 344 HB2 LYS 9 HB3 LYS 9 12.966 -1.709 2.316 345 HB3 LYS 9 HB2 LYS 9 11.528 -1.125 3.142 346 HG2 LYS 9 HG3 LYS 9 12.244 -2.293 5.180 347 HG3 LYS 9 HG2 LYS 9 13.704 -2.824 4.343 348 HD2 LYS 9 HD3 LYS 9 14.417 -0.530 4.056 349 HD3 LYS 9 HD2 LYS 9 12.912 0.056 4.766 350 HE2 LYS 9 HE3 LYS 9 14.956 -1.643 6.188 351 HE3 LYS 9 HE2 LYS 9 14.808 0.106 6.348 352 HZ1 LYS 9 HZ1 LYS 9 12.585 -0.194 7.231 353 HZ2 LYS 9 HZ2 LYS 9 13.706 -1.057 8.155 354 HZ3 LYS 9 HZ3 LYS 9 12.710 -1.874 7.058 355 H VAL 10 H VAL 10 12.008 -2.373 0.329 356 HA VAL 10 HA VAL 10 9.534 -1.323 -0.432 357 HB VAL 10 HB VAL 10 11.538 -0.739 -1.655 358 HG11 VAL 10 HG11 VAL 10 12.735 -2.855 -1.534 359 HG12 VAL 10 HG12 VAL 10 12.630 -2.288 -3.201 360 HG13 VAL 10 HG13 VAL 10 11.577 -3.587 -2.643 361 HG21 VAL 10 HG21 VAL 10 9.539 -2.177 -3.392 362 HG22 VAL 10 HG22 VAL 10 10.715 -0.994 -3.963 363 HG23 VAL 10 HG23 VAL 10 9.445 -0.504 -2.841 364 H GLU 11 H GLU 11 10.839 -4.581 -0.823 365 HA GLU 11 HA GLU 11 8.776 -5.648 -2.408 366 HB2 GLU 11 HB3 GLU 11 10.934 -6.764 -2.080 367 HB3 GLU 11 HB2 GLU 11 10.559 -7.012 -0.381 368 HG2 GLU 11 HG3 GLU 11 8.671 -8.439 -1.025 369 HG3 GLU 11 HG2 GLU 11 9.102 -8.217 -2.720 370 H GLU 12 H GLU 12 9.269 -5.734 1.118 371 HA GLU 12 HA GLU 12 6.878 -7.054 1.752 372 HB2 GLU 12 HB3 GLU 12 8.574 -5.155 3.362 373 HB3 GLU 12 HB2 GLU 12 7.178 -5.991 4.028 374 HG2 GLU 12 HG3 GLU 12 8.212 -8.136 3.561 375 HG3 GLU 12 HG2 GLU 12 9.598 -7.322 2.835 376 H LEU 13 H LEU 13 7.529 -3.518 1.620 377 HA LEU 13 HA LEU 13 4.870 -2.960 2.432 378 HB2 LEU 13 HB3 LEU 13 7.125 -1.280 1.466 379 HB3 LEU 13 HB2 LEU 13 5.515 -0.589 1.608 380 HG LEU 13 HG LEU 13 5.571 -1.632 3.995 381 HD11 LEU 13 HD11 LEU 13 8.514 -1.375 3.390 382 HD12 LEU 13 HD12 LEU 13 7.638 -2.863 3.750 383 HD13 LEU 13 HD13 LEU 13 7.815 -1.623 4.991 384 HD21 LEU 13 HD21 LEU 13 7.109 0.842 3.212 385 HD22 LEU 13 HD22 LEU 13 6.620 0.450 4.860 386 HD23 LEU 13 HD23 LEU 13 5.397 0.731 3.623 387 H LEU 14 H LEU 14 6.116 -3.703 -0.720 388 HA LEU 14 HA LEU 14 3.687 -2.624 -1.890 389 HB2 LEU 14 HB3 LEU 14 4.432 -3.544 -4.014 390 HB3 LEU 14 HB2 LEU 14 5.640 -2.520 -3.281 391 HG LEU 14 HG LEU 14 6.695 -4.758 -2.475 392 HD11 LEU 14 HD11 LEU 14 4.835 -6.204 -3.155 393 HD12 LEU 14 HD12 LEU 14 6.322 -6.616 -4.005 394 HD13 LEU 14 HD13 LEU 14 5.061 -5.702 -4.830 395 HD21 LEU 14 HD21 LEU 14 7.698 -3.189 -4.033 396 HD22 LEU 14 HD22 LEU 14 6.732 -3.855 -5.349 397 HD23 LEU 14 HD23 LEU 14 7.966 -4.850 -4.569 398 H SER 15 H SER 15 4.765 -5.477 -0.407 399 HA SER 15 HA SER 15 2.771 -7.237 -1.335 400 HB2 SER 15 HB3 SER 15 4.712 -8.103 -0.169 401 HB3 SER 15 HB2 SER 15 4.317 -7.162 1.267 402 HG SER 15 HG SER 15 3.113 -9.487 0.254 403 H LYS 16 H LYS 16 2.954 -5.056 1.543 404 HA LYS 16 HA LYS 16 0.292 -5.628 2.319 405 HB2 LYS 16 HB3 LYS 16 0.430 -3.743 3.809 406 HB3 LYS 16 HB2 LYS 16 1.984 -4.560 3.821 407 HG2 LYS 16 HG3 LYS 16 2.897 -2.833 2.349 408 HG3 LYS 16 HG2 LYS 16 1.335 -2.008 2.362 409 HD2 LYS 16 HD3 LYS 16 1.512 -1.894 4.859 410 HD3 LYS 16 HD2 LYS 16 3.156 -2.511 4.715 411 HE2 LYS 16 HE3 LYS 16 3.849 -0.560 3.491 412 HE3 LYS 16 HE2 LYS 16 2.180 0.007 3.376 413 HZ1 LYS 16 HZ1 LYS 16 3.359 1.190 5.093 414 HZ2 LYS 16 HZ2 LYS 16 3.768 -0.256 5.868 415 HZ3 LYS 16 HZ3 LYS 16 2.153 0.232 5.791 416 H ASN 17 H ASN 17 1.478 -3.643 -0.259 417 HA ASN 17 HA ASN 17 -0.784 -2.003 -0.634 418 HB2 ASN 17 HB3 ASN 17 1.480 -2.881 -2.344 419 HB3 ASN 17 HB2 ASN 17 0.028 -2.347 -3.178 420 HD21 ASN 17 HD21 ASN 17 2.758 -1.411 -1.330 421 HD22 ASN 17 HD22 ASN 17 2.492 0.295 -1.404 422 H TYR 18 H TYR 18 -0.018 -5.282 -1.675 423 HA TYR 18 HA TYR 18 -2.253 -5.607 -3.375 424 HB2 TYR 18 HB3 TYR 18 -0.673 -7.698 -1.861 425 HB3 TYR 18 HB2 TYR 18 -1.824 -8.035 -3.148 426 HD1 TYR 18 HD1 TYR 18 1.487 -8.051 -2.554 427 HD2 TYR 18 HD2 TYR 18 -1.249 -6.262 -5.267 428 HE1 TYR 18 HE1 TYR 18 3.291 -7.817 -4.207 429 HE2 TYR 18 HE2 TYR 18 0.544 -6.024 -6.930 430 HH TYR 18 HH TYR 18 3.557 -7.588 -6.622 431 H HIS 19 H HIS 19 -1.691 -6.300 0.039 432 HA HIS 19 HA HIS 19 -4.227 -7.445 0.546 433 HB2 HIS 19 HB3 HIS 19 -2.258 -6.085 2.392 434 HB3 HIS 19 HB2 HIS 19 -3.721 -6.890 2.950 435 HD1 HIS 19 HD1 HIS 19 -0.441 -7.612 3.173 436 HD2 HIS 19 HD2 HIS 19 -3.529 -9.664 1.291 437 HE1 HIS 19 HE1 HIS 19 0.351 -9.987 2.964 438 HE2 HIS 19 HE2 HIS 19 -1.563 -11.228 1.899 439 H LEU 20 H LEU 20 -3.001 -4.140 0.710 440 HA LEU 20 HA LEU 20 -5.340 -2.900 1.636 441 HB2 LEU 20 HB3 LEU 20 -2.827 -2.102 0.451 442 HB3 LEU 20 HB2 LEU 20 -4.142 -1.133 -0.181 443 HG LEU 20 HG LEU 20 -3.038 -0.088 1.759 444 HD11 LEU 20 HD11 LEU 20 -5.055 0.439 3.014 445 HD12 LEU 20 HD12 LEU 20 -5.875 -0.945 2.295 446 HD13 LEU 20 HD13 LEU 20 -5.378 0.409 1.280 447 HD21 LEU 20 HD21 LEU 20 -2.398 -2.101 2.970 448 HD22 LEU 20 HD22 LEU 20 -4.097 -2.464 3.281 449 HD23 LEU 20 HD23 LEU 20 -3.359 -1.029 3.991 450 H GLU 21 H GLU 21 -4.255 -3.694 -1.645 451 HA GLU 21 HA GLU 21 -6.450 -2.535 -2.992 452 HB2 GLU 21 HB3 GLU 21 -4.225 -3.279 -3.979 453 HB3 GLU 21 HB2 GLU 21 -4.861 -4.916 -3.951 454 HG2 GLU 21 HG3 GLU 21 -6.420 -2.774 -5.299 455 HG3 GLU 21 HG2 GLU 21 -5.008 -3.444 -6.107 456 H ASN 22 H ASN 22 -5.907 -5.717 -1.606 457 HA ASN 22 HA ASN 22 -8.236 -6.987 -2.527 458 HB2 ASN 22 HB3 ASN 22 -6.479 -7.401 -0.131 459 HB3 ASN 22 HB2 ASN 22 -7.975 -8.311 -0.290 460 HD21 ASN 22 HD21 ASN 22 -5.999 -7.364 -3.021 461 HD22 ASN 22 HD22 ASN 22 -5.472 -8.955 -3.432 462 H GLU 23 H GLU 23 -7.734 -4.639 -0.020 463 HA GLU 23 HA GLU 23 -10.305 -5.006 1.208 464 HB2 GLU 23 HB3 GLU 23 -8.328 -2.718 1.389 465 HB3 GLU 23 HB2 GLU 23 -9.790 -2.879 2.384 466 HG2 GLU 23 HG3 GLU 23 -8.900 -4.937 3.348 467 HG3 GLU 23 HG2 GLU 23 -7.453 -4.786 2.353 468 H VAL 24 H VAL 24 -8.884 -2.818 -1.173 469 HA VAL 24 HA VAL 24 -11.150 -1.149 -1.421 470 HB VAL 24 HB VAL 24 -9.028 -1.623 -3.526 471 HG11 VAL 24 HG11 VAL 24 -11.022 -0.445 -4.337 472 HG12 VAL 24 HG12 VAL 24 -9.613 0.613 -4.301 473 HG13 VAL 24 HG13 VAL 24 -10.845 0.743 -3.044 474 HG21 VAL 24 HG21 VAL 24 -7.875 0.303 -2.567 475 HG22 VAL 24 HG22 VAL 24 -8.000 -1.018 -1.407 476 HG23 VAL 24 HG23 VAL 24 -9.069 0.379 -1.274 477 H ALA 25 H ALA 25 -10.166 -4.125 -2.970 478 HA ALA 25 HA ALA 25 -12.142 -4.043 -5.026 479 HB1 ALA 25 HB1 ALA 25 -11.490 -6.295 -5.528 480 HB2 ALA 25 HB2 ALA 25 -10.688 -6.455 -3.967 481 HB3 ALA 25 HB3 ALA 25 -10.044 -5.349 -5.181 482 H ARG 26 H ARG 26 -12.025 -5.410 -1.781 483 HA ARG 26 HA ARG 26 -14.335 -7.032 -2.071 484 HB2 ARG 26 HB3 ARG 26 -14.088 -7.554 0.195 485 HB3 ARG 26 HB2 ARG 26 -12.462 -7.210 -0.348 486 HG2 ARG 26 HG3 ARG 26 -12.596 -4.972 0.650 487 HG3 ARG 26 HG2 ARG 26 -14.214 -5.364 1.244 488 HD2 ARG 26 HD2 ARG 26 -12.476 -5.655 2.961 489 HD3 ARG 26 HD1 ARG 26 -13.331 -7.153 2.598 490 HE ARG 26 HE ARG 26 -11.195 -7.342 0.991 491 HH11 ARG 26 HH11 ARG 26 -11.455 -6.492 4.376 492 HH12 ARG 26 HH12 ARG 26 -9.930 -7.201 4.802 493 HH21 ARG 26 HH21 ARG 26 -9.188 -8.280 1.553 494 HH22 ARG 26 HH22 ARG 26 -8.640 -8.217 3.197 495 H LEU 27 H LEU 27 -13.777 -3.825 -0.781 496 HA LEU 27 HA LEU 27 -16.412 -3.321 0.103 497 HB2 LEU 27 HB3 LEU 27 -14.142 -1.531 -0.681 498 HB3 LEU 27 HB2 LEU 27 -15.691 -0.893 -0.184 499 HG LEU 27 HG LEU 27 -14.185 -2.792 1.549 500 HD11 LEU 27 HD11 LEU 27 -12.741 -0.911 0.938 501 HD12 LEU 27 HD12 LEU 27 -13.139 -0.965 2.658 502 HD13 LEU 27 HD13 LEU 27 -13.953 0.186 1.598 503 HD21 LEU 27 HD21 LEU 27 -15.460 -1.685 3.323 504 HD22 LEU 27 HD22 LEU 27 -16.518 -2.407 2.111 505 HD23 LEU 27 HD23 LEU 27 -16.236 -0.665 2.111 506 H LYS 28 H LYS 28 -14.779 -2.634 -2.939 507 HA LYS 28 HA LYS 28 -16.681 -1.230 -4.309 508 HB2 LYS 28 HB3 LYS 28 -14.498 -1.801 -5.241 509 HB3 LYS 28 HB2 LYS 28 -14.970 -3.490 -5.362 510 HG2 LYS 28 HG3 LYS 28 -15.059 -2.374 -7.521 511 HG3 LYS 28 HG2 LYS 28 -16.658 -2.919 -7.011 512 HD2 LYS 28 HD3 LYS 28 -17.173 -0.639 -6.248 513 HD3 LYS 28 HD2 LYS 28 -15.584 -0.105 -6.803 514 HE2 LYS 28 HE3 LYS 28 -16.149 -0.673 -9.082 515 HE3 LYS 28 HE2 LYS 28 -17.692 -1.350 -8.565 516 HZ1 LYS 28 HZ1 LYS 28 -16.886 1.497 -8.342 517 HZ2 LYS 28 HZ2 LYS 28 -18.359 0.852 -7.823 518 HZ3 LYS 28 HZ3 LYS 28 -17.973 0.858 -9.468 519 H LYS 29 H LYS 29 -16.640 -4.731 -3.747 520 HA LYS 29 HA LYS 29 -18.972 -5.276 -5.268 521 HB2 LYS 29 HB3 LYS 29 -17.374 -6.784 -3.233 522 HB3 LYS 29 HB2 LYS 29 -18.958 -7.381 -3.683 523 HG2 LYS 29 HG3 LYS 29 -17.190 -8.488 -4.932 524 HG3 LYS 29 HG2 LYS 29 -18.245 -7.579 -6.010 525 HD2 LYS 29 HD3 LYS 29 -16.601 -5.764 -6.076 526 HD3 LYS 29 HD2 LYS 29 -15.553 -6.676 -4.987 527 HE2 LYS 29 HE3 LYS 29 -15.385 -8.459 -6.651 528 HE3 LYS 29 HE2 LYS 29 -16.427 -7.545 -7.740 529 HZ1 LYS 29 HZ1 LYS 29 -13.772 -6.662 -6.748 530 HZ2 LYS 29 HZ2 LYS 29 -14.767 -5.800 -7.811 531 HZ3 LYS 29 HZ3 LYS 29 -14.092 -7.272 -8.292 532 H LEU 30 H LEU 30 -18.371 -4.599 -1.871 533 HA LEU 30 HA LEU 30 -20.951 -5.121 -0.895 534 HB2 LEU 30 HB3 LEU 30 -18.585 -3.603 0.044 535 HB3 LEU 30 HB2 LEU 30 -20.110 -3.244 0.821 536 HG LEU 30 HG LEU 30 -18.724 -4.889 2.056 537 HD11 LEU 30 HD11 LEU 30 -21.293 -6.082 1.033 538 HD12 LEU 30 HD12 LEU 30 -21.193 -4.815 2.253 539 HD13 LEU 30 HD13 LEU 30 -20.501 -6.403 2.574 540 HD21 LEU 30 HD21 LEU 30 -18.538 -7.176 1.208 541 HD22 LEU 30 HD22 LEU 30 -17.690 -6.026 0.173 542 HD23 LEU 30 HD23 LEU 30 -19.258 -6.668 -0.320 543 H VAL 31 H VAL 31 -19.543 -2.253 -2.362 544 HA VAL 31 HA VAL 31 -21.698 -0.505 -1.727 545 HB VAL 31 HB VAL 31 -19.657 -0.248 -3.951 546 HG11 VAL 31 HG11 VAL 31 -21.447 1.820 -2.684 547 HG12 VAL 31 HG12 VAL 31 -21.579 1.190 -4.325 548 HG13 VAL 31 HG13 VAL 31 -20.173 2.148 -3.859 549 HG21 VAL 31 HG21 VAL 31 -18.592 -0.431 -1.778 550 HG22 VAL 31 HG22 VAL 31 -19.642 0.832 -1.138 551 HG23 VAL 31 HG23 VAL 31 -18.463 1.217 -2.390 552 H GLY 32 H GLY 32 -21.124 -2.813 -4.280 553 HA2 GLY 32 HA3 GLY 32 -23.567 -3.393 -5.069 554 HA3 GLY 32 HA2 GLY 32 -23.411 -1.805 -5.801 555 H GLU 33 H GLU 33 -21.014 -4.392 -5.468 556 HA GLU 33 HA GLU 33 -19.795 -5.571 -6.975 557 HB2 GLU 33 HB3 GLU 33 -22.198 -6.194 -7.671 558 HB3 GLU 33 HB2 GLU 33 -21.965 -5.081 -9.008 559 HG2 GLU 33 HG3 GLU 33 -20.160 -7.424 -8.469 560 HG3 GLU 33 HG2 GLU 33 -21.571 -7.503 -9.517 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 24.436 2.771 -4.465 2 H2 GLY 1 H2 GLY 1 25.380 1.986 -3.306 3 H3 GLY 1 H3 GLY 1 25.802 3.536 -3.834 4 HA2 GLY 1 HA2 GLY 1 24.784 3.629 -1.652 5 HA3 GLY 1 HA3 GLY 1 23.821 4.468 -2.859 6 H SER 2 H SER 2 22.759 3.562 -0.442 7 HA SER 2 HA SER 2 21.098 1.306 -1.331 8 HB2 SER 2 HB3 SER 2 20.725 1.017 1.208 9 HB3 SER 2 HB2 SER 2 22.283 0.532 0.544 10 HG SER 2 HG SER 2 21.684 2.489 2.347 11 H MET 3 H MET 3 20.952 4.129 0.858 12 HA MET 3 HA MET 3 18.108 4.069 0.938 13 HB2 MET 3 HB3 MET 3 20.152 6.049 1.906 14 HB3 MET 3 HB2 MET 3 18.430 6.374 2.024 15 HG2 MET 3 HG3 MET 3 19.204 5.518 4.115 16 HG3 MET 3 HG2 MET 3 18.169 4.312 3.357 17 HE1 MET 3 HE1 MET 3 20.770 2.128 5.305 18 HE2 MET 3 HE2 MET 3 19.058 2.454 5.032 19 HE3 MET 3 HE3 MET 3 20.073 3.667 5.811 20 H LYS 4 H LYS 4 20.390 5.606 -1.156 21 HA LYS 4 HA LYS 4 18.935 7.863 -1.912 22 HB2 LYS 4 HB3 LYS 4 21.318 7.509 -2.448 23 HB3 LYS 4 HB2 LYS 4 20.860 6.273 -3.612 24 HG2 LYS 4 HG3 LYS 4 19.685 7.922 -4.946 25 HG3 LYS 4 HG2 LYS 4 20.051 9.171 -3.755 26 HD2 LYS 4 HD3 LYS 4 21.576 9.341 -5.624 27 HD3 LYS 4 HD2 LYS 4 22.454 8.838 -4.180 28 HE2 LYS 4 HE3 LYS 4 22.397 6.523 -4.949 29 HE3 LYS 4 HE2 LYS 4 21.495 7.013 -6.382 30 HZ1 LYS 4 HZ1 LYS 4 23.374 8.341 -7.079 31 HZ2 LYS 4 HZ2 LYS 4 23.852 6.737 -6.840 32 HZ3 LYS 4 HZ3 LYS 4 24.237 7.915 -5.688 33 H GLN 5 H GLN 5 19.069 4.686 -3.548 34 HA GLN 5 HA GLN 5 16.795 5.538 -5.179 35 HB2 GLN 5 HB3 GLN 5 18.595 3.127 -5.426 36 HB3 GLN 5 HB2 GLN 5 17.271 3.509 -6.518 37 HG2 GLN 5 HG3 GLN 5 18.375 5.578 -7.161 38 HG3 GLN 5 HG2 GLN 5 19.692 5.232 -6.041 39 HE21 GLN 5 HE21 GLN 5 19.741 5.619 -8.935 40 HE22 GLN 5 HE22 GLN 5 20.448 4.186 -9.593 41 H LEU 6 H LEU 6 17.712 2.951 -2.926 42 HA LEU 6 HA LEU 6 15.349 1.447 -3.355 43 HB2 LEU 6 HB3 LEU 6 17.451 1.360 -1.212 44 HB3 LEU 6 HB2 LEU 6 16.040 0.328 -1.160 45 HG LEU 6 HG LEU 6 17.873 -0.931 -2.044 46 HD11 LEU 6 HD11 LEU 6 15.672 -1.341 -3.030 47 HD12 LEU 6 HD12 LEU 6 16.980 -1.655 -4.170 48 HD13 LEU 6 HD13 LEU 6 16.031 -0.176 -4.302 49 HD21 LEU 6 HD21 LEU 6 19.280 0.900 -2.812 50 HD22 LEU 6 HD22 LEU 6 18.160 1.219 -4.136 51 HD23 LEU 6 HD23 LEU 6 19.055 -0.300 -4.086 52 H GLU 7 H GLU 7 16.275 3.731 -0.754 53 HA GLU 7 HA GLU 7 13.952 3.282 0.774 54 HB2 GLU 7 HB3 GLU 7 16.109 4.371 1.547 55 HB3 GLU 7 HB2 GLU 7 15.553 5.836 0.745 56 HG2 GLU 7 HG3 GLU 7 13.546 5.821 2.149 57 HG3 GLU 7 HG2 GLU 7 14.156 4.379 2.954 58 H ASP 8 H ASP 8 14.624 5.332 -1.965 59 HA ASP 8 HA ASP 8 12.281 6.939 -1.729 60 HB2 ASP 8 HB3 ASP 8 14.278 6.434 -3.892 61 HB3 ASP 8 HB2 ASP 8 12.741 7.179 -4.322 62 H LYS 9 H LYS 9 13.019 3.851 -3.198 63 HA LYS 9 HA LYS 9 10.551 3.536 -4.574 64 HB2 LYS 9 HB3 LYS 9 12.721 2.213 -4.902 65 HB3 LYS 9 HB2 LYS 9 12.256 1.301 -3.475 66 HG2 LYS 9 HG3 LYS 9 10.248 0.529 -4.576 67 HG3 LYS 9 HG2 LYS 9 10.615 1.521 -5.990 68 HD2 LYS 9 HD3 LYS 9 12.774 0.235 -6.189 69 HD3 LYS 9 HD2 LYS 9 12.151 -0.855 -4.952 70 HE2 LYS 9 HE3 LYS 9 10.806 -0.275 -7.588 71 HE3 LYS 9 HE2 LYS 9 11.802 -1.689 -7.254 72 HZ1 LYS 9 HZ1 LYS 9 9.445 -2.175 -7.043 73 HZ2 LYS 9 HZ2 LYS 9 9.280 -0.992 -5.850 74 HZ3 LYS 9 HZ3 LYS 9 10.230 -2.360 -5.559 75 H VAL 10 H VAL 10 11.728 2.707 -1.359 76 HA VAL 10 HA VAL 10 9.413 1.453 -0.355 77 HB VAL 10 HB VAL 10 11.356 3.188 1.189 78 HG11 VAL 10 HG11 VAL 10 9.341 2.700 2.434 79 HG12 VAL 10 HG12 VAL 10 10.697 1.791 3.100 80 HG13 VAL 10 HG13 VAL 10 9.509 0.981 2.080 81 HG21 VAL 10 HG21 VAL 10 11.493 0.225 0.668 82 HG22 VAL 10 HG22 VAL 10 12.605 1.165 1.663 83 HG23 VAL 10 HG23 VAL 10 12.523 1.445 -0.078 84 H GLU 11 H GLU 11 10.501 4.825 -0.228 85 HA GLU 11 HA GLU 11 8.336 5.939 1.125 86 HB2 GLU 11 HB3 GLU 11 10.441 7.125 0.708 87 HB3 GLU 11 HB2 GLU 11 10.094 7.166 -1.014 88 HG2 GLU 11 HG3 GLU 11 8.198 8.611 -0.633 89 HG3 GLU 11 HG2 GLU 11 8.443 8.510 1.109 90 H GLU 12 H GLU 12 8.804 5.388 -2.345 91 HA GLU 12 HA GLU 12 6.410 6.539 -3.239 92 HB2 GLU 12 HB3 GLU 12 8.046 4.266 -4.357 93 HB3 GLU 12 HB2 GLU 12 6.649 4.939 -5.187 94 HG2 GLU 12 HG3 GLU 12 7.727 7.116 -5.267 95 HG3 GLU 12 HG2 GLU 12 9.118 6.470 -4.400 96 H LEU 13 H LEU 13 7.034 3.101 -2.411 97 HA LEU 13 HA LEU 13 4.316 2.376 -2.700 98 HB2 LEU 13 HB3 LEU 13 6.749 1.080 -1.623 99 HB3 LEU 13 HB2 LEU 13 5.189 0.381 -1.215 100 HG LEU 13 HG LEU 13 5.618 1.065 -4.050 101 HD11 LEU 13 HD11 LEU 13 6.978 -1.285 -2.715 102 HD12 LEU 13 HD12 LEU 13 7.778 0.077 -3.500 103 HD13 LEU 13 HD13 LEU 13 6.823 -1.057 -4.455 104 HD21 LEU 13 HD21 LEU 13 4.407 -1.060 -4.343 105 HD22 LEU 13 HD22 LEU 13 3.540 0.083 -3.319 106 HD23 LEU 13 HD23 LEU 13 4.399 -1.275 -2.594 107 H LEU 14 H LEU 14 6.141 3.531 0.075 108 HA LEU 14 HA LEU 14 4.121 3.103 1.984 109 HB2 LEU 14 HB3 LEU 14 6.435 3.680 2.552 110 HB3 LEU 14 HB2 LEU 14 6.251 5.251 1.816 111 HG LEU 14 HG LEU 14 6.216 5.154 4.333 112 HD11 LEU 14 HD11 LEU 14 4.513 6.861 4.554 113 HD12 LEU 14 HD12 LEU 14 3.847 6.412 2.985 114 HD13 LEU 14 HD13 LEU 14 5.468 7.098 3.091 115 HD21 LEU 14 HD21 LEU 14 4.164 4.540 5.443 116 HD22 LEU 14 HD22 LEU 14 4.785 3.159 4.539 117 HD23 LEU 14 HD23 LEU 14 3.432 4.094 3.904 118 H SER 15 H SER 15 4.793 5.737 -0.256 119 HA SER 15 HA SER 15 2.628 7.388 0.396 120 HB2 SER 15 HB3 SER 15 4.518 8.088 -1.049 121 HB3 SER 15 HB2 SER 15 3.931 7.011 -2.314 122 HG SER 15 HG SER 15 2.967 9.473 -1.473 123 H LYS 16 H LYS 16 2.896 4.753 -2.056 124 HA LYS 16 HA LYS 16 0.210 4.891 -2.875 125 HB2 LYS 16 HB3 LYS 16 2.280 2.740 -2.931 126 HB3 LYS 16 HB2 LYS 16 0.615 2.331 -3.321 127 HG2 LYS 16 HG3 LYS 16 0.624 4.074 -5.065 128 HG3 LYS 16 HG2 LYS 16 2.319 4.397 -4.702 129 HD2 LYS 16 HD3 LYS 16 1.368 1.649 -5.448 130 HD3 LYS 16 HD2 LYS 16 1.779 2.846 -6.677 131 HE2 LYS 16 HE3 LYS 16 3.627 1.949 -4.472 132 HE3 LYS 16 HE2 LYS 16 3.643 1.301 -6.108 133 HZ1 LYS 16 HZ1 LYS 16 4.150 4.129 -5.350 134 HZ2 LYS 16 HZ2 LYS 16 4.127 3.535 -6.930 135 HZ3 LYS 16 HZ3 LYS 16 5.314 3.010 -5.850 136 H ASN 17 H ASN 17 1.689 2.884 -0.336 137 HA ASN 17 HA ASN 17 -0.504 1.522 0.610 138 HB2 ASN 17 HB3 ASN 17 1.782 1.158 1.406 139 HB3 ASN 17 HB2 ASN 17 1.783 2.736 2.179 140 HD21 ASN 17 HD21 ASN 17 2.138 2.008 4.213 141 HD22 ASN 17 HD22 ASN 17 0.991 1.082 5.114 142 H TYR 18 H TYR 18 0.450 4.844 1.281 143 HA TYR 18 HA TYR 18 -1.467 5.306 3.322 144 HB2 TYR 18 HB3 TYR 18 0.599 6.661 3.013 145 HB3 TYR 18 HB2 TYR 18 -0.090 7.325 1.536 146 HD1 TYR 18 HD1 TYR 18 -1.588 9.157 1.616 147 HD2 TYR 18 HD2 TYR 18 -0.542 7.124 5.202 148 HE1 TYR 18 HE1 TYR 18 -2.675 10.927 2.933 149 HE2 TYR 18 HE2 TYR 18 -1.627 8.885 6.523 150 HH TYR 18 HH TYR 18 -3.708 11.163 5.218 151 H HIS 19 H HIS 19 -1.331 6.365 -0.076 152 HA HIS 19 HA HIS 19 -3.890 7.567 -0.066 153 HB2 HIS 19 HB3 HIS 19 -2.184 6.576 -2.353 154 HB3 HIS 19 HB2 HIS 19 -3.669 7.493 -2.565 155 HD1 HIS 19 HD1 HIS 19 -0.117 7.929 -2.294 156 HD2 HIS 19 HD2 HIS 19 -3.461 10.148 -1.205 157 HE1 HIS 19 HE1 HIS 19 0.707 10.280 -1.969 158 HE2 HIS 19 HE2 HIS 19 -1.295 11.559 -1.140 159 H LEU 20 H LEU 20 -2.797 4.319 -0.764 160 HA LEU 20 HA LEU 20 -5.223 3.452 -1.971 161 HB2 LEU 20 HB3 LEU 20 -3.042 2.432 -2.423 162 HB3 LEU 20 HB2 LEU 20 -2.935 1.909 -0.756 163 HG LEU 20 HG LEU 20 -4.909 0.477 -1.117 164 HD11 LEU 20 HD11 LEU 20 -5.643 0.018 -3.405 165 HD12 LEU 20 HD12 LEU 20 -4.572 1.285 -4.000 166 HD13 LEU 20 HD13 LEU 20 -5.936 1.698 -2.960 167 HD21 LEU 20 HD21 LEU 20 -2.647 -0.015 -3.040 168 HD22 LEU 20 HD22 LEU 20 -3.728 -1.228 -2.357 169 HD23 LEU 20 HD23 LEU 20 -2.604 -0.362 -1.313 170 H GLU 21 H GLU 21 -3.875 3.389 1.299 171 HA GLU 21 HA GLU 21 -5.946 1.809 2.440 172 HB2 GLU 21 HB3 GLU 21 -3.726 2.292 3.518 173 HB3 GLU 21 HB2 GLU 21 -4.290 3.929 3.824 174 HG2 GLU 21 HG3 GLU 21 -6.081 3.070 5.216 175 HG3 GLU 21 HG2 GLU 21 -5.569 1.418 4.880 176 H ASN 22 H ASN 22 -5.551 5.217 1.782 177 HA ASN 22 HA ASN 22 -7.874 6.126 3.110 178 HB2 ASN 22 HB3 ASN 22 -6.220 7.248 0.861 179 HB3 ASN 22 HB2 ASN 22 -7.694 8.047 1.388 180 HD21 ASN 22 HD21 ASN 22 -5.608 6.355 3.609 181 HD22 ASN 22 HD22 ASN 22 -5.016 7.757 4.426 182 H GLU 23 H GLU 23 -7.330 4.502 0.111 183 HA GLU 23 HA GLU 23 -9.763 5.205 -1.172 184 HB2 GLU 23 HB3 GLU 23 -7.810 2.957 -1.623 185 HB3 GLU 23 HB2 GLU 23 -9.273 3.180 -2.610 186 HG2 GLU 23 HG3 GLU 23 -8.476 5.403 -3.256 187 HG3 GLU 23 HG2 GLU 23 -7.019 5.158 -2.292 188 H VAL 24 H VAL 24 -8.754 2.464 0.825 189 HA VAL 24 HA VAL 24 -11.138 0.965 0.551 190 HB VAL 24 HB VAL 24 -9.470 0.920 3.070 191 HG11 VAL 24 HG11 VAL 24 -10.935 -1.290 1.610 192 HG12 VAL 24 HG12 VAL 24 -11.571 -0.394 2.994 193 HG13 VAL 24 HG13 VAL 24 -10.139 -1.406 3.180 194 HG21 VAL 24 HG21 VAL 24 -8.000 -0.726 2.065 195 HG22 VAL 24 HG22 VAL 24 -7.907 0.791 1.177 196 HG23 VAL 24 HG23 VAL 24 -8.832 -0.560 0.523 197 H ALA 25 H ALA 25 -10.196 3.658 2.552 198 HA ALA 25 HA ALA 25 -12.399 3.465 4.368 199 HB1 ALA 25 HB1 ALA 25 -10.685 5.878 3.838 200 HB2 ALA 25 HB2 ALA 25 -10.228 4.556 4.911 201 HB3 ALA 25 HB3 ALA 25 -11.646 5.538 5.276 202 H ARG 26 H ARG 26 -11.936 4.915 1.239 203 HA ARG 26 HA ARG 26 -14.004 6.842 1.307 204 HB2 ARG 26 HB3 ARG 26 -13.292 5.216 -1.136 205 HB3 ARG 26 HB2 ARG 26 -13.995 6.821 -1.088 206 HG2 ARG 26 HG3 ARG 26 -11.821 7.596 -0.061 207 HG3 ARG 26 HG2 ARG 26 -11.183 6.002 -0.486 208 HD2 ARG 26 HD2 ARG 26 -11.759 6.376 -2.821 209 HD3 ARG 26 HD1 ARG 26 -12.415 7.961 -2.417 210 HE ARG 26 HE ARG 26 -9.764 7.884 -1.543 211 HH11 ARG 26 HH11 ARG 26 -11.560 7.794 -4.545 212 HH12 ARG 26 HH12 ARG 26 -10.303 8.548 -5.473 213 HH21 ARG 26 HH21 ARG 26 -8.086 8.854 -2.766 214 HH22 ARG 26 HH22 ARG 26 -8.323 9.146 -4.461 215 H LEU 27 H LEU 27 -13.915 3.501 0.199 216 HA LEU 27 HA LEU 27 -16.649 3.400 -0.498 217 HB2 LEU 27 HB3 LEU 27 -14.559 1.288 -0.087 218 HB3 LEU 27 HB2 LEU 27 -16.223 0.871 -0.436 219 HG LEU 27 HG LEU 27 -16.087 2.111 -2.563 220 HD11 LEU 27 HD11 LEU 27 -13.182 2.466 -1.849 221 HD12 LEU 27 HD12 LEU 27 -14.386 3.744 -2.010 222 HD13 LEU 27 HD13 LEU 27 -13.900 2.808 -3.423 223 HD21 LEU 27 HD21 LEU 27 -15.653 -0.269 -2.526 224 HD22 LEU 27 HD22 LEU 27 -13.951 0.031 -2.174 225 HD23 LEU 27 HD23 LEU 27 -14.633 0.531 -3.722 226 H LYS 28 H LYS 28 -14.978 2.817 2.524 227 HA LYS 28 HA LYS 28 -16.902 1.420 3.948 228 HB2 LYS 28 HB3 LYS 28 -15.089 3.667 4.835 229 HB3 LYS 28 HB2 LYS 28 -16.091 2.753 5.949 230 HG2 LYS 28 HG3 LYS 28 -13.986 1.544 4.171 231 HG3 LYS 28 HG2 LYS 28 -13.737 1.998 5.857 232 HD2 LYS 28 HD3 LYS 28 -15.783 0.005 4.883 233 HD3 LYS 28 HD2 LYS 28 -14.211 -0.410 5.566 234 HE2 LYS 28 HE3 LYS 28 -14.849 0.717 7.660 235 HE3 LYS 28 HE2 LYS 28 -16.433 1.068 6.973 236 HZ1 LYS 28 HZ1 LYS 28 -15.314 -1.637 7.451 237 HZ2 LYS 28 HZ2 LYS 28 -16.828 -1.309 6.776 238 HZ3 LYS 28 HZ3 LYS 28 -16.507 -0.882 8.377 239 H LYS 29 H LYS 29 -16.718 4.873 3.263 240 HA LYS 29 HA LYS 29 -19.052 5.598 4.692 241 HB2 LYS 29 HB3 LYS 29 -17.585 6.979 2.441 242 HB3 LYS 29 HB2 LYS 29 -18.823 7.719 3.441 243 HG2 LYS 29 HG3 LYS 29 -17.463 7.627 5.368 244 HG3 LYS 29 HG2 LYS 29 -16.303 6.559 4.582 245 HD2 LYS 29 HD3 LYS 29 -15.381 8.781 4.700 246 HD3 LYS 29 HD2 LYS 29 -15.733 8.393 3.018 247 HE2 LYS 29 HE3 LYS 29 -17.705 9.892 4.703 248 HE3 LYS 29 HE2 LYS 29 -16.361 10.728 3.932 249 HZ1 LYS 29 HZ1 LYS 29 -18.308 10.833 2.552 250 HZ2 LYS 29 HZ2 LYS 29 -18.471 9.155 2.561 251 HZ3 LYS 29 HZ3 LYS 29 -17.148 9.866 1.791 252 H LEU 30 H LEU 30 -18.413 4.520 1.437 253 HA LEU 30 HA LEU 30 -20.954 5.210 0.351 254 HB2 LEU 30 HB3 LEU 30 -18.873 3.232 -0.512 255 HB3 LEU 30 HB2 LEU 30 -20.285 3.634 -1.469 256 HG LEU 30 HG LEU 30 -18.052 5.522 -0.705 257 HD11 LEU 30 HD11 LEU 30 -17.399 3.900 -2.404 258 HD12 LEU 30 HD12 LEU 30 -17.551 5.514 -3.096 259 HD13 LEU 30 HD13 LEU 30 -18.819 4.320 -3.361 260 HD21 LEU 30 HD21 LEU 30 -19.179 7.110 -2.204 261 HD22 LEU 30 HD22 LEU 30 -20.173 6.699 -0.807 262 HD23 LEU 30 HD23 LEU 30 -20.519 5.978 -2.379 263 H VAL 31 H VAL 31 -19.662 2.394 1.999 264 HA VAL 31 HA VAL 31 -21.943 0.736 1.392 265 HB VAL 31 HB VAL 31 -19.790 0.258 3.474 266 HG11 VAL 31 HG11 VAL 31 -21.707 -1.649 2.139 267 HG12 VAL 31 HG12 VAL 31 -21.794 -1.093 3.812 268 HG13 VAL 31 HG13 VAL 31 -20.438 -2.088 3.282 269 HG21 VAL 31 HG21 VAL 31 -19.923 -0.707 0.622 270 HG22 VAL 31 HG22 VAL 31 -18.695 -1.139 1.812 271 HG23 VAL 31 HG23 VAL 31 -18.824 0.525 1.241 272 H GLY 32 H GLY 32 -20.987 2.957 3.885 273 HA2 GLY 32 HA3 GLY 32 -23.503 3.346 4.916 274 HA3 GLY 32 HA2 GLY 32 -22.825 2.029 5.858 275 H GLU 33 H GLU 33 -21.748 5.198 4.608 276 HA GLU 33 HA GLU 33 -20.056 5.983 6.582 277 HB2 GLU 33 HB3 GLU 33 -21.205 8.343 6.275 278 HB3 GLU 33 HB2 GLU 33 -20.232 7.621 5.009 279 HG2 GLU 33 HG3 GLU 33 -22.165 8.542 3.998 280 HG3 GLU 33 HG2 GLU 33 -22.331 6.793 3.955 281 H1 GLY 1 H1 GLY 1 24.456 -2.982 3.766 282 H2 GLY 1 H2 GLY 1 25.397 -2.194 2.606 283 H3 GLY 1 H3 GLY 1 25.819 -3.746 3.125 284 HA2 GLY 1 HA2 GLY 1 24.794 -3.830 0.949 285 HA3 GLY 1 HA3 GLY 1 23.826 -4.663 2.158 286 H SER 2 H SER 2 22.752 -3.762 -0.238 287 HA SER 2 HA SER 2 21.105 -1.498 0.654 288 HB2 SER 2 HB3 SER 2 20.724 -1.206 -1.887 289 HB3 SER 2 HB2 SER 2 22.277 -0.709 -1.216 290 HG SER 2 HG SER 2 21.692 -2.704 -3.008 291 H MET 3 H MET 3 20.946 -4.321 -1.537 292 HA MET 3 HA MET 3 18.101 -4.247 -1.609 293 HB2 MET 3 HB3 MET 3 20.132 -6.233 -2.591 294 HB3 MET 3 HB2 MET 3 18.409 -6.551 -2.704 295 HG2 MET 3 HG3 MET 3 19.182 -5.692 -4.794 296 HG3 MET 3 HG2 MET 3 18.149 -4.487 -4.030 297 HE1 MET 3 HE1 MET 3 20.753 -2.307 -5.980 298 HE2 MET 3 HE2 MET 3 19.040 -2.628 -5.704 299 HE3 MET 3 HE3 MET 3 20.050 -3.844 -6.484 300 H LYS 4 H LYS 4 20.390 -5.799 0.471 301 HA LYS 4 HA LYS 4 18.930 -8.057 1.224 302 HB2 LYS 4 HB3 LYS 4 21.316 -7.711 1.751 303 HB3 LYS 4 HB2 LYS 4 20.866 -6.474 2.918 304 HG2 LYS 4 HG3 LYS 4 19.692 -8.122 4.255 305 HG3 LYS 4 HG2 LYS 4 20.052 -9.371 3.063 306 HD2 LYS 4 HD3 LYS 4 21.585 -9.547 4.930 307 HD3 LYS 4 HD2 LYS 4 22.456 -9.047 3.483 308 HE2 LYS 4 HE3 LYS 4 22.414 -6.730 4.250 309 HE3 LYS 4 HE2 LYS 4 21.518 -7.216 5.688 310 HZ1 LYS 4 HZ1 LYS 4 23.398 -8.557 6.369 311 HZ2 LYS 4 HZ2 LYS 4 23.878 -6.953 6.141 312 HZ3 LYS 4 HZ3 LYS 4 24.255 -8.123 4.978 313 H GLN 5 H GLN 5 19.077 -4.883 2.864 314 HA GLN 5 HA GLN 5 16.811 -5.729 4.511 315 HB2 GLN 5 HB3 GLN 5 18.616 -3.322 4.751 316 HB3 GLN 5 HB2 GLN 5 17.298 -3.704 5.851 317 HG2 GLN 5 HG3 GLN 5 18.406 -5.777 6.480 318 HG3 GLN 5 HG2 GLN 5 19.719 -5.423 5.360 319 HE21 GLN 5 HE21 GLN 5 19.780 -5.833 8.241 320 HE22 GLN 5 HE22 GLN 5 20.479 -4.402 8.917 321 H LEU 6 H LEU 6 17.724 -3.135 2.266 322 HA LEU 6 HA LEU 6 15.363 -1.632 2.698 323 HB2 LEU 6 HB3 LEU 6 17.457 -1.544 0.547 324 HB3 LEU 6 HB2 LEU 6 16.047 -0.509 0.508 325 HG LEU 6 HG LEU 6 17.889 0.742 1.387 326 HD11 LEU 6 HD11 LEU 6 15.692 1.154 2.380 327 HD12 LEU 6 HD12 LEU 6 17.003 1.463 3.517 328 HD13 LEU 6 HD13 LEU 6 16.053 -0.015 3.651 329 HD21 LEU 6 HD21 LEU 6 19.297 -1.091 2.146 330 HD22 LEU 6 HD22 LEU 6 18.181 -1.413 3.475 331 HD23 LEU 6 HD23 LEU 6 19.077 0.105 3.422 332 H GLU 7 H GLU 7 16.280 -3.909 0.086 333 HA GLU 7 HA GLU 7 13.949 -3.455 -1.428 334 HB2 GLU 7 HB3 GLU 7 16.100 -4.546 -2.214 335 HB3 GLU 7 HB2 GLU 7 15.545 -6.011 -1.413 336 HG2 GLU 7 HG3 GLU 7 13.530 -5.986 -2.807 337 HG3 GLU 7 HG2 GLU 7 14.141 -4.545 -3.613 338 H ASP 8 H ASP 8 14.631 -5.510 1.305 339 HA ASP 8 HA ASP 8 12.286 -7.115 1.071 340 HB2 ASP 8 HB3 ASP 8 14.291 -6.624 3.229 341 HB3 ASP 8 HB2 ASP 8 12.750 -7.359 3.665 342 H LYS 9 H LYS 9 13.031 -4.033 2.544 343 HA LYS 9 HA LYS 9 10.570 -3.720 3.935 344 HB2 LYS 9 HB3 LYS 9 12.743 -2.400 4.258 345 HB3 LYS 9 HB2 LYS 9 12.276 -1.485 2.833 346 HG2 LYS 9 HG3 LYS 9 10.273 -0.710 3.940 347 HG3 LYS 9 HG2 LYS 9 10.640 -1.704 5.353 348 HD2 LYS 9 HD3 LYS 9 12.804 -0.425 5.548 349 HD3 LYS 9 HD2 LYS 9 12.178 0.670 4.315 350 HE2 LYS 9 HE3 LYS 9 10.845 0.085 6.953 351 HE3 LYS 9 HE2 LYS 9 11.836 1.500 6.618 352 HZ1 LYS 9 HZ1 LYS 9 9.476 1.978 6.421 353 HZ2 LYS 9 HZ2 LYS 9 9.313 0.800 5.224 354 HZ3 LYS 9 HZ3 LYS 9 10.254 2.173 4.934 355 H VAL 10 H VAL 10 11.733 -2.879 0.719 356 HA VAL 10 HA VAL 10 9.416 -1.621 -0.274 357 HB VAL 10 HB VAL 10 11.349 -3.356 -1.830 358 HG11 VAL 10 HG11 VAL 10 9.330 -2.859 -3.066 359 HG12 VAL 10 HG12 VAL 10 10.686 -1.951 -3.735 360 HG13 VAL 10 HG13 VAL 10 9.505 -1.141 -2.708 361 HG21 VAL 10 HG21 VAL 10 11.493 -0.394 -1.303 362 HG22 VAL 10 HG22 VAL 10 12.600 -1.335 -2.303 363 HG23 VAL 10 HG23 VAL 10 12.525 -1.619 -0.564 364 H GLU 11 H GLU 11 10.496 -4.993 -0.412 365 HA GLU 11 HA GLU 11 8.323 -6.098 -1.760 366 HB2 GLU 11 HB3 GLU 11 10.424 -7.288 -1.351 367 HB3 GLU 11 HB2 GLU 11 10.082 -7.336 0.369 368 HG2 GLU 11 HG3 GLU 11 8.187 -8.781 -0.008 369 HG3 GLU 11 HG2 GLU 11 8.417 -8.668 -1.753 370 H GLU 12 H GLU 12 8.809 -5.560 1.713 371 HA GLU 12 HA GLU 12 6.416 -6.706 2.611 372 HB2 GLU 12 HB3 GLU 12 8.064 -4.444 3.728 373 HB3 GLU 12 HB2 GLU 12 6.668 -5.113 4.564 374 HG2 GLU 12 HG3 GLU 12 7.738 -7.297 4.631 375 HG3 GLU 12 HG2 GLU 12 9.126 -6.653 3.757 376 H LEU 13 H LEU 13 7.044 -3.269 1.795 377 HA LEU 13 HA LEU 13 4.329 -2.539 2.093 378 HB2 LEU 13 HB3 LEU 13 6.758 -1.243 1.008 379 HB3 LEU 13 HB2 LEU 13 5.197 -0.542 0.610 380 HG LEU 13 HG LEU 13 5.637 -1.237 3.440 381 HD11 LEU 13 HD11 LEU 13 6.999 1.116 2.111 382 HD12 LEU 13 HD12 LEU 13 7.798 -0.253 2.883 383 HD13 LEU 13 HD13 LEU 13 6.852 0.877 3.852 384 HD21 LEU 13 HD21 LEU 13 4.430 0.889 3.747 385 HD22 LEU 13 HD22 LEU 13 3.557 -0.249 2.722 386 HD23 LEU 13 HD23 LEU 13 4.414 1.110 1.999 387 H LEU 14 H LEU 14 6.139 -3.694 -0.692 388 HA LEU 14 HA LEU 14 4.112 -3.257 -2.592 389 HB2 LEU 14 HB3 LEU 14 6.423 -3.834 -3.173 390 HB3 LEU 14 HB2 LEU 14 6.242 -5.407 -2.439 391 HG LEU 14 HG LEU 14 6.198 -5.307 -4.955 392 HD11 LEU 14 HD11 LEU 14 4.491 -7.011 -5.172 393 HD12 LEU 14 HD12 LEU 14 3.833 -6.565 -3.597 394 HD13 LEU 14 HD13 LEU 14 5.454 -7.253 -3.714 395 HD21 LEU 14 HD21 LEU 14 4.142 -4.687 -6.060 396 HD22 LEU 14 HD22 LEU 14 4.767 -3.309 -5.156 397 HD23 LEU 14 HD23 LEU 14 3.414 -4.243 -4.517 398 H SER 15 H SER 15 4.789 -5.902 -0.363 399 HA SER 15 HA SER 15 2.617 -7.544 -1.013 400 HB2 SER 15 HB3 SER 15 4.523 -8.238 0.422 401 HB3 SER 15 HB2 SER 15 3.926 -7.177 1.696 402 HG SER 15 HG SER 15 2.972 -9.634 0.816 403 H LYS 16 H LYS 16 2.903 -4.918 1.446 404 HA LYS 16 HA LYS 16 0.221 -5.047 2.276 405 HB2 LYS 16 HB3 LYS 16 2.295 -2.900 2.328 406 HB3 LYS 16 HB2 LYS 16 0.632 -2.489 2.727 407 HG2 LYS 16 HG3 LYS 16 0.644 -4.234 4.467 408 HG3 LYS 16 HG2 LYS 16 2.337 -4.561 4.096 409 HD2 LYS 16 HD3 LYS 16 1.393 -1.813 4.853 410 HD3 LYS 16 HD2 LYS 16 1.809 -3.013 6.075 411 HE2 LYS 16 HE3 LYS 16 3.647 -2.114 3.865 412 HE3 LYS 16 HE2 LYS 16 3.670 -1.467 5.503 413 HZ1 LYS 16 HZ1 LYS 16 4.170 -4.295 4.739 414 HZ2 LYS 16 HZ2 LYS 16 4.155 -3.703 6.322 415 HZ3 LYS 16 HZ3 LYS 16 5.338 -3.180 5.236 416 H ASN 17 H ASN 17 1.690 -3.040 -0.267 417 HA ASN 17 HA ASN 17 -0.505 -1.669 -1.196 418 HB2 ASN 17 HB3 ASN 17 1.773 -1.305 -2.004 419 HB3 ASN 17 HB2 ASN 17 1.775 -2.885 -2.774 420 HD21 ASN 17 HD21 ASN 17 2.124 -2.164 -4.811 421 HD22 ASN 17 HD22 ASN 17 0.976 -1.239 -5.714 422 H TYR 18 H TYR 18 0.448 -4.989 -1.893 423 HA TYR 18 HA TYR 18 -1.488 -5.444 -3.915 424 HB2 TYR 18 HB3 TYR 18 0.579 -6.804 -3.621 425 HB3 TYR 18 HB2 TYR 18 -0.107 -7.472 -2.144 426 HD1 TYR 18 HD1 TYR 18 -1.607 -9.299 -2.222 427 HD2 TYR 18 HD2 TYR 18 -0.580 -7.254 -5.805 428 HE1 TYR 18 HE1 TYR 18 -2.708 -11.063 -3.537 429 HE2 TYR 18 HE2 TYR 18 -1.675 -9.007 -7.129 430 HH TYR 18 HH TYR 18 -3.739 -11.308 -5.797 431 H HIS 19 H HIS 19 -1.334 -6.513 -0.518 432 HA HIS 19 HA HIS 19 -3.895 -7.710 -0.522 433 HB2 HIS 19 HB3 HIS 19 -2.180 -6.727 1.764 434 HB3 HIS 19 HB2 HIS 19 -3.667 -7.642 1.980 435 HD1 HIS 19 HD1 HIS 19 -0.120 -8.084 1.704 436 HD2 HIS 19 HD2 HIS 19 -3.469 -10.290 0.613 437 HE1 HIS 19 HE1 HIS 19 0.702 -10.436 1.353 438 HE2 HIS 19 HE2 HIS 19 -1.313 -11.712 0.536 439 H LEU 20 H LEU 20 -2.793 -4.467 0.184 440 HA LEU 20 HA LEU 20 -5.213 -3.596 1.398 441 HB2 LEU 20 HB3 LEU 20 -3.027 -2.580 1.842 442 HB3 LEU 20 HB2 LEU 20 -2.932 -2.052 0.176 443 HG LEU 20 HG LEU 20 -4.901 -0.621 0.552 444 HD11 LEU 20 HD11 LEU 20 -5.623 -0.165 2.845 445 HD12 LEU 20 HD12 LEU 20 -4.554 -1.438 3.431 446 HD13 LEU 20 HD13 LEU 20 -5.921 -1.844 2.396 447 HD21 LEU 20 HD21 LEU 20 -2.630 -0.139 2.467 448 HD22 LEU 20 HD22 LEU 20 -3.712 1.078 1.792 449 HD23 LEU 20 HD23 LEU 20 -2.595 0.214 0.741 450 H GLU 21 H GLU 21 -3.883 -3.530 -1.880 451 HA GLU 21 HA GLU 21 -5.957 -1.942 -3.004 452 HB2 GLU 21 HB3 GLU 21 -3.746 -2.423 -4.094 453 HB3 GLU 21 HB2 GLU 21 -4.310 -4.059 -4.399 454 HG2 GLU 21 HG3 GLU 21 -6.104 -3.204 -5.788 455 HG3 GLU 21 HG2 GLU 21 -5.599 -1.551 -5.447 456 H ASN 22 H ASN 22 -5.562 -5.352 -2.360 457 HA ASN 22 HA ASN 22 -7.895 -6.247 -3.681 458 HB2 ASN 22 HB3 ASN 22 -6.227 -7.382 -1.451 459 HB3 ASN 22 HB2 ASN 22 -7.710 -8.176 -1.966 460 HD21 ASN 22 HD21 ASN 22 -5.624 -6.480 -4.199 461 HD22 ASN 22 HD22 ASN 22 -5.051 -7.885 -5.022 462 H GLU 23 H GLU 23 -7.336 -4.635 -0.678 463 HA GLU 23 HA GLU 23 -9.763 -5.342 0.614 464 HB2 GLU 23 HB3 GLU 23 -7.802 -3.098 1.066 465 HB3 GLU 23 HB2 GLU 23 -9.260 -3.323 2.058 466 HG2 GLU 23 HG3 GLU 23 -8.466 -5.553 2.685 467 HG3 GLU 23 HG2 GLU 23 -7.009 -5.301 1.725 468 H VAL 24 H VAL 24 -8.759 -2.594 -1.376 469 HA VAL 24 HA VAL 24 -11.138 -1.095 -1.089 470 HB VAL 24 HB VAL 24 -9.482 -1.044 -3.616 471 HG11 VAL 24 HG11 VAL 24 -10.939 1.164 -2.146 472 HG12 VAL 24 HG12 VAL 24 -11.578 0.272 -3.530 473 HG13 VAL 24 HG13 VAL 24 -10.145 1.281 -3.718 474 HG21 VAL 24 HG21 VAL 24 -8.003 0.598 -2.612 475 HG22 VAL 24 HG22 VAL 24 -7.907 -0.923 -1.730 476 HG23 VAL 24 HG23 VAL 24 -8.828 0.426 -1.066 477 H ALA 25 H ALA 25 -10.210 -3.781 -3.104 478 HA ALA 25 HA ALA 25 -12.421 -3.581 -4.909 479 HB1 ALA 25 HB1 ALA 25 -10.709 -5.998 -4.391 480 HB2 ALA 25 HB2 ALA 25 -10.256 -4.676 -5.465 481 HB3 ALA 25 HB3 ALA 25 -11.679 -5.656 -5.822 482 H ARG 26 H ARG 26 -11.947 -5.038 -1.785 483 HA ARG 26 HA ARG 26 -14.019 -6.960 -1.853 484 HB2 ARG 26 HB3 ARG 26 -13.293 -5.344 0.593 485 HB3 ARG 26 HB2 ARG 26 -14.000 -6.947 0.543 486 HG2 ARG 26 HG3 ARG 26 -11.832 -7.726 -0.494 487 HG3 ARG 26 HG2 ARG 26 -11.188 -6.130 -0.070 488 HD2 ARG 26 HD2 ARG 26 -11.750 -6.513 2.270 489 HD3 ARG 26 HD1 ARG 26 -12.412 -8.094 1.865 490 HE ARG 26 HE ARG 26 -9.757 -8.016 0.983 491 HH11 ARG 26 HH11 ARG 26 -11.544 -7.935 3.986 492 HH12 ARG 26 HH12 ARG 26 -10.290 -8.696 4.906 493 HH21 ARG 26 HH21 ARG 26 -8.091 -9.006 2.200 494 HH22 ARG 26 HH22 ARG 26 -8.323 -9.305 3.892 495 H LEU 27 H LEU 27 -13.921 -3.625 -0.729 496 HA LEU 27 HA LEU 27 -16.652 -3.520 -0.021 497 HB2 LEU 27 HB3 LEU 27 -14.560 -1.411 -0.440 498 HB3 LEU 27 HB2 LEU 27 -16.220 -0.993 -0.079 499 HG LEU 27 HG LEU 27 -16.075 -2.239 2.044 500 HD11 LEU 27 HD11 LEU 27 -13.174 -2.601 1.316 501 HD12 LEU 27 HD12 LEU 27 -14.381 -3.876 1.479 502 HD13 LEU 27 HD13 LEU 27 -13.886 -2.944 2.892 503 HD21 LEU 27 HD21 LEU 27 -15.637 0.139 2.009 504 HD22 LEU 27 HD22 LEU 27 -13.937 -0.162 1.648 505 HD23 LEU 27 HD23 LEU 27 -14.613 -0.663 3.198 506 H LYS 28 H LYS 28 -14.989 -2.927 -3.049 507 HA LYS 28 HA LYS 28 -16.917 -1.529 -4.464 508 HB2 LYS 28 HB3 LYS 28 -15.110 -3.776 -5.363 509 HB3 LYS 28 HB2 LYS 28 -16.116 -2.858 -6.471 510 HG2 LYS 28 HG3 LYS 28 -14.002 -1.657 -4.699 511 HG3 LYS 28 HG2 LYS 28 -13.763 -2.106 -6.387 512 HD2 LYS 28 HD3 LYS 28 -15.800 -0.109 -5.397 513 HD3 LYS 28 HD2 LYS 28 -14.229 0.303 -6.086 514 HE2 LYS 28 HE3 LYS 28 -14.881 -0.820 -8.179 515 HE3 LYS 28 HE2 LYS 28 -16.463 -1.163 -7.484 516 HZ1 LYS 28 HZ1 LYS 28 -15.337 1.542 -7.953 517 HZ2 LYS 28 HZ2 LYS 28 -16.854 1.211 -7.287 518 HZ3 LYS 28 HZ3 LYS 28 -16.527 0.791 -8.891 519 H LYS 29 H LYS 29 -16.739 -4.982 -3.771 520 HA LYS 29 HA LYS 29 -19.077 -5.698 -5.208 521 HB2 LYS 29 HB3 LYS 29 -17.601 -7.094 -2.968 522 HB3 LYS 29 HB2 LYS 29 -18.845 -7.826 -3.968 523 HG2 LYS 29 HG3 LYS 29 -17.497 -7.731 -5.900 524 HG3 LYS 29 HG2 LYS 29 -16.331 -6.666 -5.116 525 HD2 LYS 29 HD3 LYS 29 -15.411 -8.888 -5.246 526 HD3 LYS 29 HD2 LYS 29 -15.755 -8.502 -3.562 527 HE2 LYS 29 HE3 LYS 29 -17.732 -10.002 -5.239 528 HE3 LYS 29 HE2 LYS 29 -16.385 -10.836 -4.471 529 HZ1 LYS 29 HZ1 LYS 29 -18.335 -10.937 -3.090 530 HZ2 LYS 29 HZ2 LYS 29 -18.485 -9.257 -3.088 531 HZ3 LYS 29 HZ3 LYS 29 -17.163 -9.986 -2.328 532 H LEU 30 H LEU 30 -18.422 -4.631 -1.953 533 HA LEU 30 HA LEU 30 -20.961 -5.314 -0.857 534 HB2 LEU 30 HB3 LEU 30 -18.871 -3.343 0.000 535 HB3 LEU 30 HB2 LEU 30 -20.279 -3.747 0.964 536 HG LEU 30 HG LEU 30 -18.051 -5.635 0.183 537 HD11 LEU 30 HD11 LEU 30 -17.393 -4.021 1.883 538 HD12 LEU 30 HD12 LEU 30 -17.540 -5.638 2.571 539 HD13 LEU 30 HD13 LEU 30 -18.808 -4.443 2.847 540 HD21 LEU 30 HD21 LEU 30 -19.171 -7.231 1.677 541 HD22 LEU 30 HD22 LEU 30 -20.174 -6.810 0.292 542 HD23 LEU 30 HD23 LEU 30 -20.508 -6.099 1.870 543 H VAL 31 H VAL 31 -19.668 -2.501 -2.505 544 HA VAL 31 HA VAL 31 -21.944 -0.842 -1.885 545 HB VAL 31 HB VAL 31 -19.800 -0.361 -3.972 546 HG11 VAL 31 HG11 VAL 31 -21.711 1.546 -2.628 547 HG12 VAL 31 HG12 VAL 31 -21.801 0.994 -4.301 548 HG13 VAL 31 HG13 VAL 31 -20.443 1.986 -3.772 549 HG21 VAL 31 HG21 VAL 31 -19.921 0.596 -1.117 550 HG22 VAL 31 HG22 VAL 31 -18.696 1.031 -2.312 551 HG23 VAL 31 HG23 VAL 31 -18.824 -0.635 -1.746 552 H GLY 32 H GLY 32 -21.009 -3.058 -4.388 553 HA2 GLY 32 HA3 GLY 32 -23.531 -3.440 -5.409 554 HA3 GLY 32 HA2 GLY 32 -22.853 -2.121 -6.352 555 H GLU 33 H GLU 33 -21.778 -5.298 -5.115 556 HA GLU 33 HA GLU 33 -20.090 -6.076 -7.093 557 HB2 GLU 33 HB3 GLU 33 -21.245 -8.434 -6.793 558 HB3 GLU 33 HB2 GLU 33 -20.267 -7.718 -5.528 559 HG2 GLU 33 HG3 GLU 33 -22.199 -8.635 -4.513 560 HG3 GLU 33 HG2 GLU 33 -22.363 -6.886 -4.470 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 24.739 6.647 -7.150 2 H2 GLY 1 H2 GLY 1 25.795 7.316 -6.014 3 H3 GLY 1 H3 GLY 1 24.151 7.706 -5.972 4 HA2 GLY 1 HA2 GLY 1 25.310 5.026 -5.461 5 HA3 GLY 1 HA3 GLY 1 24.699 6.128 -4.235 6 H SER 2 H SER 2 23.790 3.440 -4.803 7 HA SER 2 HA SER 2 21.319 3.643 -6.261 8 HB2 SER 2 HB3 SER 2 22.354 1.418 -4.487 9 HB3 SER 2 HB2 SER 2 20.992 1.302 -5.602 10 HG SER 2 HG SER 2 23.509 2.133 -6.554 11 H MET 3 H MET 3 22.327 3.831 -2.931 12 HA MET 3 HA MET 3 19.923 3.265 -1.637 13 HB2 MET 3 HB3 MET 3 22.319 4.902 -0.893 14 HB3 MET 3 HB2 MET 3 20.909 4.874 0.157 15 HG2 MET 3 HG3 MET 3 22.488 2.468 -0.723 16 HG3 MET 3 HG2 MET 3 22.600 3.260 0.848 17 HE1 MET 3 HE1 MET 3 22.106 1.027 2.181 18 HE2 MET 3 HE2 MET 3 22.087 0.159 0.647 19 HE3 MET 3 HE3 MET 3 20.771 -0.059 1.802 20 H LYS 4 H LYS 4 21.075 6.253 -3.074 21 HA LYS 4 HA LYS 4 19.293 8.087 -2.049 22 HB2 LYS 4 HB3 LYS 4 21.181 8.638 -3.538 23 HB3 LYS 4 HB2 LYS 4 20.317 7.925 -4.891 24 HG2 LYS 4 HG3 LYS 4 20.127 10.311 -4.991 25 HG3 LYS 4 HG2 LYS 4 18.549 9.622 -4.611 26 HD2 LYS 4 HD3 LYS 4 18.844 10.169 -2.268 27 HD3 LYS 4 HD2 LYS 4 20.470 10.775 -2.593 28 HE2 LYS 4 HE3 LYS 4 18.915 12.619 -2.397 29 HE3 LYS 4 HE2 LYS 4 19.515 12.506 -4.050 30 HZ1 LYS 4 HZ1 LYS 4 16.879 11.555 -3.069 31 HZ2 LYS 4 HZ2 LYS 4 17.449 11.353 -4.645 32 HZ3 LYS 4 HZ3 LYS 4 17.153 12.903 -4.048 33 H GLN 5 H GLN 5 18.860 6.228 -5.066 34 HA GLN 5 HA GLN 5 16.163 7.125 -5.386 35 HB2 GLN 5 HB3 GLN 5 17.623 4.874 -6.783 36 HB3 GLN 5 HB2 GLN 5 16.064 5.522 -7.261 37 HG2 GLN 5 HG3 GLN 5 17.592 6.503 -8.717 38 HG3 GLN 5 HG2 GLN 5 17.243 7.754 -7.529 39 HE21 GLN 5 HE21 GLN 5 19.313 4.991 -6.951 40 HE22 GLN 5 HE22 GLN 5 20.789 5.891 -6.815 41 H LEU 6 H LEU 6 17.712 4.330 -3.985 42 HA LEU 6 HA LEU 6 15.443 2.641 -3.971 43 HB2 LEU 6 HB3 LEU 6 17.822 1.912 -3.725 44 HB3 LEU 6 HB2 LEU 6 17.802 2.559 -2.097 45 HG LEU 6 HG LEU 6 16.130 0.936 -1.422 46 HD11 LEU 6 HD11 LEU 6 14.871 0.763 -3.494 47 HD12 LEU 6 HD12 LEU 6 15.408 -0.833 -2.970 48 HD13 LEU 6 HD13 LEU 6 16.246 -0.008 -4.284 49 HD21 LEU 6 HD21 LEU 6 18.371 -0.363 -2.963 50 HD22 LEU 6 HD22 LEU 6 17.457 -1.085 -1.638 51 HD23 LEU 6 HD23 LEU 6 18.498 0.307 -1.336 52 H GLU 7 H GLU 7 16.723 4.965 -1.621 53 HA GLU 7 HA GLU 7 14.811 4.388 0.399 54 HB2 GLU 7 HB3 GLU 7 16.758 6.559 -0.118 55 HB3 GLU 7 HB2 GLU 7 15.388 6.976 0.901 56 HG2 GLU 7 HG3 GLU 7 17.175 6.304 2.309 57 HG3 GLU 7 HG2 GLU 7 15.951 5.040 2.351 58 H ASP 8 H ASP 8 14.830 6.514 -2.395 59 HA ASP 8 HA ASP 8 12.362 7.799 -1.777 60 HB2 ASP 8 HB3 ASP 8 13.973 7.537 -4.304 61 HB3 ASP 8 HB2 ASP 8 12.378 8.283 -4.315 62 H LYS 9 H LYS 9 13.265 4.849 -3.402 63 HA LYS 9 HA LYS 9 10.850 4.277 -4.703 64 HB2 LYS 9 HB3 LYS 9 12.966 3.066 -5.106 65 HB3 LYS 9 HB2 LYS 9 12.835 2.327 -3.516 66 HG2 LYS 9 HG3 LYS 9 10.791 1.197 -4.187 67 HG3 LYS 9 HG2 LYS 9 10.873 1.969 -5.772 68 HD2 LYS 9 HD3 LYS 9 13.025 0.844 -6.183 69 HD3 LYS 9 HD2 LYS 9 12.889 0.040 -4.618 70 HE2 LYS 9 HE3 LYS 9 10.836 -1.054 -5.347 71 HE3 LYS 9 HE2 LYS 9 10.937 -0.225 -6.899 72 HZ1 LYS 9 HZ1 LYS 9 11.758 -2.492 -7.033 73 HZ2 LYS 9 HZ2 LYS 9 12.926 -2.161 -5.855 74 HZ3 LYS 9 HZ3 LYS 9 12.996 -1.384 -7.354 75 H VAL 10 H VAL 10 11.981 3.373 -1.456 76 HA VAL 10 HA VAL 10 9.677 1.959 -0.673 77 HB VAL 10 HB VAL 10 11.584 3.529 1.079 78 HG11 VAL 10 HG11 VAL 10 10.859 2.020 2.865 79 HG12 VAL 10 HG12 VAL 10 9.694 1.281 1.767 80 HG13 VAL 10 HG13 VAL 10 9.514 2.971 2.237 81 HG21 VAL 10 HG21 VAL 10 12.716 1.870 -0.332 82 HG22 VAL 10 HG22 VAL 10 11.642 0.620 0.294 83 HG23 VAL 10 HG23 VAL 10 12.771 1.434 1.375 84 H GLU 11 H GLU 11 10.539 5.380 -0.432 85 HA GLU 11 HA GLU 11 8.243 6.223 0.971 86 HB2 GLU 11 HB3 GLU 11 10.017 7.750 -0.938 87 HB3 GLU 11 HB2 GLU 11 8.811 8.482 0.111 88 HG2 GLU 11 HG3 GLU 11 10.007 7.701 2.069 89 HG3 GLU 11 HG2 GLU 11 11.193 6.898 1.043 90 H GLU 12 H GLU 12 8.934 5.810 -2.462 91 HA GLU 12 HA GLU 12 6.563 6.801 -3.528 92 HB2 GLU 12 HB3 GLU 12 8.306 4.506 -4.412 93 HB3 GLU 12 HB2 GLU 12 6.918 5.053 -5.340 94 HG2 GLU 12 HG3 GLU 12 9.265 6.778 -4.595 95 HG3 GLU 12 HG2 GLU 12 9.064 5.958 -6.143 96 H LEU 13 H LEU 13 7.220 3.476 -2.355 97 HA LEU 13 HA LEU 13 4.570 2.623 -2.802 98 HB2 LEU 13 HB3 LEU 13 6.778 1.474 -1.134 99 HB3 LEU 13 HB2 LEU 13 5.152 0.826 -1.040 100 HG LEU 13 HG LEU 13 5.258 0.630 -3.581 101 HD11 LEU 13 HD11 LEU 13 8.209 0.850 -3.000 102 HD12 LEU 13 HD12 LEU 13 7.244 1.994 -3.932 103 HD13 LEU 13 HD13 LEU 13 7.488 0.353 -4.530 104 HD21 LEU 13 HD21 LEU 13 5.252 -1.290 -2.131 105 HD22 LEU 13 HD22 LEU 13 6.975 -1.091 -1.798 106 HD23 LEU 13 HD23 LEU 13 6.435 -1.538 -3.416 107 H LEU 14 H LEU 14 5.936 4.438 -0.161 108 HA LEU 14 HA LEU 14 3.860 4.074 1.686 109 HB2 LEU 14 HB3 LEU 14 5.580 6.460 1.079 110 HB3 LEU 14 HB2 LEU 14 4.371 6.492 2.350 111 HG LEU 14 HG LEU 14 7.041 5.197 2.309 112 HD11 LEU 14 HD11 LEU 14 6.875 5.763 4.743 113 HD12 LEU 14 HD12 LEU 14 5.301 6.488 4.405 114 HD13 LEU 14 HD13 LEU 14 6.762 7.150 3.663 115 HD21 LEU 14 HD21 LEU 14 5.678 3.208 2.513 116 HD22 LEU 14 HD22 LEU 14 4.720 3.962 3.791 117 HD23 LEU 14 HD23 LEU 14 6.419 3.591 4.063 118 H SER 15 H SER 15 4.127 6.269 -1.097 119 HA SER 15 HA SER 15 1.626 7.499 -0.628 120 HB2 SER 15 HB3 SER 15 1.773 8.397 -2.870 121 HB3 SER 15 HB2 SER 15 3.366 8.477 -2.124 122 HG SER 15 HG SER 15 3.798 6.451 -3.262 123 H LYS 16 H LYS 16 2.594 4.615 -2.491 124 HA LYS 16 HA LYS 16 0.068 3.935 -3.474 125 HB2 LYS 16 HB3 LYS 16 2.471 2.347 -2.668 126 HB3 LYS 16 HB2 LYS 16 0.977 1.500 -3.038 127 HG2 LYS 16 HG3 LYS 16 0.955 2.512 -5.262 128 HG3 LYS 16 HG2 LYS 16 2.463 3.353 -4.889 129 HD2 LYS 16 HD3 LYS 16 3.688 1.354 -4.809 130 HD3 LYS 16 HD2 LYS 16 2.234 0.367 -4.670 131 HE2 LYS 16 HE3 LYS 16 3.211 0.161 -6.886 132 HE3 LYS 16 HE2 LYS 16 1.629 0.931 -6.970 133 HZ1 LYS 16 HZ1 LYS 16 2.773 3.089 -7.102 134 HZ2 LYS 16 HZ2 LYS 16 3.158 2.073 -8.395 135 HZ3 LYS 16 HZ3 LYS 16 4.261 2.287 -7.135 136 H ASN 17 H ASN 17 1.559 3.102 -0.342 137 HA ASN 17 HA ASN 17 -0.563 1.654 0.740 138 HB2 ASN 17 HB3 ASN 17 1.449 3.412 2.162 139 HB3 ASN 17 HB2 ASN 17 0.379 2.270 2.962 140 HD21 ASN 17 HD21 ASN 17 0.648 0.304 0.800 141 HD22 ASN 17 HD22 ASN 17 2.212 -0.395 0.997 142 H TYR 18 H TYR 18 0.216 5.102 1.228 143 HA TYR 18 HA TYR 18 -2.052 5.626 2.803 144 HB2 TYR 18 HB3 TYR 18 -0.324 7.512 1.201 145 HB3 TYR 18 HB2 TYR 18 -1.541 8.024 2.365 146 HD1 TYR 18 HD1 TYR 18 -1.169 6.168 4.575 147 HD2 TYR 18 HD2 TYR 18 1.743 8.065 2.121 148 HE1 TYR 18 HE1 TYR 18 0.475 5.972 6.389 149 HE2 TYR 18 HE2 TYR 18 3.398 7.873 3.930 150 HH TYR 18 HH TYR 18 3.390 7.660 6.410 151 H HIS 19 H HIS 19 -1.572 5.953 -0.709 152 HA HIS 19 HA HIS 19 -4.040 7.238 -1.211 153 HB2 HIS 19 HB3 HIS 19 -2.255 5.549 -2.952 154 HB3 HIS 19 HB2 HIS 19 -3.785 6.181 -3.543 155 HD1 HIS 19 HD1 HIS 19 -0.801 6.959 -4.500 156 HD2 HIS 19 HD2 HIS 19 -3.362 9.213 -2.123 157 HE1 HIS 19 HE1 HIS 19 -0.049 9.344 -4.767 158 HE2 HIS 19 HE2 HIS 19 -1.660 10.696 -3.382 159 H LEU 20 H LEU 20 -3.125 3.814 -1.216 160 HA LEU 20 HA LEU 20 -5.717 2.850 -1.833 161 HB2 LEU 20 HB3 LEU 20 -3.155 1.710 -0.924 162 HB3 LEU 20 HB2 LEU 20 -4.580 0.795 -0.492 163 HG LEU 20 HG LEU 20 -3.499 0.030 -2.596 164 HD11 LEU 20 HD11 LEU 20 -6.278 1.140 -2.926 165 HD12 LEU 20 HD12 LEU 20 -5.860 -0.403 -2.181 166 HD13 LEU 20 HD13 LEU 20 -5.548 -0.138 -3.897 167 HD21 LEU 20 HD21 LEU 20 -2.747 2.196 -3.433 168 HD22 LEU 20 HD22 LEU 20 -4.425 2.690 -3.667 169 HD23 LEU 20 HD23 LEU 20 -3.758 1.364 -4.618 170 H GLU 21 H GLU 21 -4.053 3.582 1.178 171 HA GLU 21 HA GLU 21 -5.906 2.479 2.974 172 HB2 GLU 21 HB3 GLU 21 -3.638 3.348 3.560 173 HB3 GLU 21 HB2 GLU 21 -4.250 4.983 3.356 174 HG2 GLU 21 HG3 GLU 21 -5.848 4.603 5.169 175 HG3 GLU 21 HG2 GLU 21 -5.208 2.973 5.380 176 H ASN 22 H ASN 22 -5.733 5.686 1.487 177 HA ASN 22 HA ASN 22 -8.100 6.678 2.709 178 HB2 ASN 22 HB3 ASN 22 -6.496 7.573 0.323 179 HB3 ASN 22 HB2 ASN 22 -7.968 8.399 0.822 180 HD21 ASN 22 HD21 ASN 22 -6.840 10.288 1.264 181 HD22 ASN 22 HD22 ASN 22 -5.833 10.452 2.659 182 H GLU 23 H GLU 23 -7.454 4.662 0.025 183 HA GLU 23 HA GLU 23 -9.845 5.190 -1.452 184 HB2 GLU 23 HB3 GLU 23 -7.704 4.347 -2.443 185 HB3 GLU 23 HB2 GLU 23 -7.997 2.798 -1.628 186 HG2 GLU 23 HG3 GLU 23 -8.660 2.601 -3.907 187 HG3 GLU 23 HG2 GLU 23 -10.109 2.597 -2.906 188 H VAL 24 H VAL 24 -8.812 2.685 0.854 189 HA VAL 24 HA VAL 24 -11.236 1.195 0.669 190 HB VAL 24 HB VAL 24 -9.305 1.254 3.005 191 HG11 VAL 24 HG11 VAL 24 -10.211 -0.921 3.560 192 HG12 VAL 24 HG12 VAL 24 -11.267 -0.883 2.148 193 HG13 VAL 24 HG13 VAL 24 -11.523 0.253 3.475 194 HG21 VAL 24 HG21 VAL 24 -8.261 -0.691 1.990 195 HG22 VAL 24 HG22 VAL 24 -8.159 0.706 0.919 196 HG23 VAL 24 HG23 VAL 24 -9.341 -0.565 0.604 197 H ALA 25 H ALA 25 -10.133 3.861 2.676 198 HA ALA 25 HA ALA 25 -12.144 3.735 4.635 199 HB1 ALA 25 HB1 ALA 25 -10.749 6.233 3.720 200 HB2 ALA 25 HB2 ALA 25 -10.030 5.042 4.806 201 HB3 ALA 25 HB3 ALA 25 -11.478 5.922 5.291 202 H ARG 26 H ARG 26 -12.047 5.460 1.532 203 HA ARG 26 HA ARG 26 -14.464 6.844 1.953 204 HB2 ARG 26 HB3 ARG 26 -14.440 7.064 -0.579 205 HB3 ARG 26 HB2 ARG 26 -13.108 7.778 0.304 206 HG2 ARG 26 HG3 ARG 26 -11.733 5.820 -0.267 207 HG3 ARG 26 HG2 ARG 26 -13.071 5.175 -1.225 208 HD2 ARG 26 HD2 ARG 26 -11.636 7.789 -1.676 209 HD3 ARG 26 HD1 ARG 26 -11.473 6.327 -2.645 210 HE ARG 26 HE ARG 26 -14.179 7.231 -2.513 211 HH11 ARG 26 HH11 ARG 26 -11.110 7.813 -4.083 212 HH12 ARG 26 HH12 ARG 26 -11.822 8.470 -5.521 213 HH21 ARG 26 HH21 ARG 26 -15.124 8.128 -4.390 214 HH22 ARG 26 HH22 ARG 26 -14.104 8.645 -5.699 215 H LEU 27 H LEU 27 -13.757 3.778 0.284 216 HA LEU 27 HA LEU 27 -16.436 3.286 -0.460 217 HB2 LEU 27 HB3 LEU 27 -14.060 1.488 -0.123 218 HB3 LEU 27 HB2 LEU 27 -15.651 0.820 -0.378 219 HG LEU 27 HG LEU 27 -15.852 1.968 -2.504 220 HD11 LEU 27 HD11 LEU 27 -14.514 3.940 -2.072 221 HD12 LEU 27 HD12 LEU 27 -13.928 3.103 -3.510 222 HD13 LEU 27 HD13 LEU 27 -13.056 2.952 -1.984 223 HD21 LEU 27 HD21 LEU 27 -14.105 0.731 -3.731 224 HD22 LEU 27 HD22 LEU 27 -14.976 -0.244 -2.548 225 HD23 LEU 27 HD23 LEU 27 -13.351 0.341 -2.184 226 H LYS 28 H LYS 28 -14.627 2.594 2.476 227 HA LYS 28 HA LYS 28 -16.427 0.938 3.775 228 HB2 LYS 28 HB3 LYS 28 -14.149 1.604 4.592 229 HB3 LYS 28 HB2 LYS 28 -14.825 3.156 5.064 230 HG2 LYS 28 HG3 LYS 28 -14.664 1.723 6.985 231 HG3 LYS 28 HG2 LYS 28 -16.364 1.992 6.596 232 HD2 LYS 28 HD3 LYS 28 -16.446 -0.180 5.466 233 HD3 LYS 28 HD2 LYS 28 -14.746 -0.448 5.854 234 HE2 LYS 28 HE3 LYS 28 -15.279 -0.368 8.239 235 HE3 LYS 28 HE2 LYS 28 -16.976 -0.089 7.853 236 HZ1 LYS 28 HZ1 LYS 28 -15.406 -2.515 7.181 237 HZ2 LYS 28 HZ2 LYS 28 -17.011 -2.247 6.733 238 HZ3 LYS 28 HZ3 LYS 28 -16.604 -2.396 8.366 239 H LYS 29 H LYS 29 -16.441 4.461 3.457 240 HA LYS 29 HA LYS 29 -18.788 4.783 5.067 241 HB2 LYS 29 HB3 LYS 29 -17.406 6.702 3.190 242 HB3 LYS 29 HB2 LYS 29 -18.685 7.115 4.316 243 HG2 LYS 29 HG3 LYS 29 -15.964 6.074 5.063 244 HG3 LYS 29 HG2 LYS 29 -16.496 7.750 5.177 245 HD2 LYS 29 HD3 LYS 29 -18.213 7.095 6.793 246 HD3 LYS 29 HD2 LYS 29 -17.695 5.416 6.665 247 HE2 LYS 29 HE3 LYS 29 -16.766 6.443 8.658 248 HE3 LYS 29 HE2 LYS 29 -15.486 6.035 7.518 249 HZ1 LYS 29 HZ1 LYS 29 -15.460 8.353 6.802 250 HZ2 LYS 29 HZ2 LYS 29 -15.132 8.215 8.454 251 HZ3 LYS 29 HZ3 LYS 29 -16.655 8.731 7.939 252 H LEU 30 H LEU 30 -18.102 4.225 1.709 253 HA LEU 30 HA LEU 30 -20.658 5.039 0.729 254 HB2 LEU 30 HB3 LEU 30 -18.628 3.149 -0.463 255 HB3 LEU 30 HB2 LEU 30 -20.045 3.752 -1.297 256 HG LEU 30 HG LEU 30 -17.716 5.416 -0.336 257 HD11 LEU 30 HD11 LEU 30 -18.603 4.657 -3.116 258 HD12 LEU 30 HD12 LEU 30 -17.184 4.034 -2.275 259 HD13 LEU 30 HD13 LEU 30 -17.273 5.740 -2.713 260 HD21 LEU 30 HD21 LEU 30 -19.785 6.675 -0.195 261 HD22 LEU 30 HD22 LEU 30 -20.206 6.210 -1.843 262 HD23 LEU 30 HD23 LEU 30 -18.812 7.249 -1.548 263 H VAL 31 H VAL 31 -19.281 2.055 1.947 264 HA VAL 31 HA VAL 31 -21.591 0.458 1.389 265 HB VAL 31 HB VAL 31 -19.331 -0.051 3.351 266 HG11 VAL 31 HG11 VAL 31 -21.296 -1.390 3.877 267 HG12 VAL 31 HG12 VAL 31 -20.013 -2.402 3.213 268 HG13 VAL 31 HG13 VAL 31 -21.385 -1.943 2.204 269 HG21 VAL 31 HG21 VAL 31 -18.415 -1.499 1.605 270 HG22 VAL 31 HG22 VAL 31 -18.520 0.180 1.071 271 HG23 VAL 31 HG23 VAL 31 -19.708 -1.000 0.515 272 H GLY 32 H GLY 32 -20.590 2.586 3.938 273 HA2 GLY 32 HA3 GLY 32 -22.546 1.575 5.829 274 HA3 GLY 32 HA2 GLY 32 -21.431 2.908 6.090 275 H GLU 33 H GLU 33 -22.024 4.515 3.922 276 HA GLU 33 HA GLU 33 -23.410 6.157 3.221 277 HB2 GLU 33 HB3 GLU 33 -25.589 4.186 3.935 278 HB3 GLU 33 HB2 GLU 33 -25.851 5.693 3.068 279 HG2 GLU 33 HG3 GLU 33 -24.430 4.907 1.252 280 HG3 GLU 33 HG2 GLU 33 -24.136 3.405 2.125 281 H1 GLY 1 H1 GLY 1 24.748 -6.820 6.457 282 H2 GLY 1 H2 GLY 1 25.796 -7.499 5.317 283 H3 GLY 1 H3 GLY 1 24.151 -7.890 5.292 284 HA2 GLY 1 HA2 GLY 1 25.302 -5.215 4.751 285 HA3 GLY 1 HA3 GLY 1 24.687 -6.327 3.536 286 H SER 2 H SER 2 23.788 -3.626 4.106 287 HA SER 2 HA SER 2 21.321 -3.817 5.571 288 HB2 SER 2 HB3 SER 2 22.355 -1.603 3.784 289 HB3 SER 2 HB2 SER 2 20.998 -1.478 4.903 290 HG SER 2 HG SER 2 23.526 -2.297 5.833 291 H MET 3 H MET 3 22.315 -4.021 2.239 292 HA MET 3 HA MET 3 19.907 -3.458 0.948 293 HB2 MET 3 HB3 MET 3 22.298 -5.101 0.207 294 HB3 MET 3 HB2 MET 3 20.886 -5.079 -0.840 295 HG2 MET 3 HG3 MET 3 22.470 -2.667 0.018 296 HG3 MET 3 HG2 MET 3 22.582 -3.472 -1.546 297 HE1 MET 3 HE1 MET 3 22.087 -1.247 -2.894 298 HE2 MET 3 HE2 MET 3 22.071 -0.373 -1.362 299 HE3 MET 3 HE3 MET 3 20.754 -0.157 -2.516 300 H LYS 4 H LYS 4 21.058 -6.437 2.403 301 HA LYS 4 HA LYS 4 19.272 -8.276 1.388 302 HB2 LYS 4 HB3 LYS 4 21.166 -8.824 2.872 303 HB3 LYS 4 HB2 LYS 4 20.307 -8.104 4.226 304 HG2 LYS 4 HG3 LYS 4 20.114 -10.493 4.335 305 HG3 LYS 4 HG2 LYS 4 18.534 -9.801 3.959 306 HD2 LYS 4 HD3 LYS 4 18.821 -10.353 1.617 307 HD3 LYS 4 HD2 LYS 4 20.443 -10.966 1.935 308 HE2 LYS 4 HE3 LYS 4 18.885 -12.808 1.751 309 HE3 LYS 4 HE2 LYS 4 19.484 -12.687 3.404 310 HZ1 LYS 4 HZ1 LYS 4 16.850 -11.736 2.417 311 HZ2 LYS 4 HZ2 LYS 4 17.427 -11.525 3.990 312 HZ3 LYS 4 HZ3 LYS 4 17.127 -13.081 3.405 313 H GLN 5 H GLN 5 18.854 -6.396 4.393 314 HA GLN 5 HA GLN 5 16.157 -7.295 4.730 315 HB2 GLN 5 HB3 GLN 5 17.624 -5.041 6.111 316 HB3 GLN 5 HB2 GLN 5 16.066 -5.685 6.598 317 HG2 GLN 5 HG3 GLN 5 17.600 -6.661 8.055 318 HG3 GLN 5 HG2 GLN 5 17.248 -7.918 6.872 319 HE21 GLN 5 HE21 GLN 5 19.316 -5.152 6.269 320 HE22 GLN 5 HE22 GLN 5 20.790 -6.054 6.127 321 H LEU 6 H LEU 6 17.705 -4.505 3.313 322 HA LEU 6 HA LEU 6 15.440 -2.812 3.298 323 HB2 LEU 6 HB3 LEU 6 17.823 -2.095 3.037 324 HB3 LEU 6 HB2 LEU 6 17.792 -2.747 1.412 325 HG LEU 6 HG LEU 6 16.121 -1.117 0.740 326 HD11 LEU 6 HD11 LEU 6 14.876 -0.933 2.821 327 HD12 LEU 6 HD12 LEU 6 15.414 0.659 2.283 328 HD13 LEU 6 HD13 LEU 6 16.259 -0.161 3.597 329 HD21 LEU 6 HD21 LEU 6 18.376 0.177 2.262 330 HD22 LEU 6 HD22 LEU 6 17.457 0.898 0.940 331 HD23 LEU 6 HD23 LEU 6 18.491 -0.500 0.638 332 H GLU 7 H GLU 7 16.703 -5.154 0.959 333 HA GLU 7 HA GLU 7 14.786 -4.577 -1.056 334 HB2 GLU 7 HB3 GLU 7 16.733 -6.747 -0.543 335 HB3 GLU 7 HB2 GLU 7 15.358 -7.168 -1.552 336 HG2 GLU 7 HG3 GLU 7 17.144 -6.503 -2.971 337 HG3 GLU 7 HG2 GLU 7 15.915 -5.243 -3.015 338 H ASP 8 H ASP 8 14.809 -6.683 1.750 339 HA ASP 8 HA ASP 8 12.341 -7.975 1.139 340 HB2 ASP 8 HB3 ASP 8 13.962 -7.706 3.659 341 HB3 ASP 8 HB2 ASP 8 12.363 -8.441 3.683 342 H LYS 9 H LYS 9 13.255 -5.018 2.746 343 HA LYS 9 HA LYS 9 10.847 -4.434 4.056 344 HB2 LYS 9 HB3 LYS 9 12.968 -3.226 4.451 345 HB3 LYS 9 HB2 LYS 9 12.836 -2.493 2.858 346 HG2 LYS 9 HG3 LYS 9 10.793 -1.358 3.531 347 HG3 LYS 9 HG2 LYS 9 10.881 -2.121 5.118 348 HD2 LYS 9 HD3 LYS 9 13.038 -1.000 5.513 349 HD3 LYS 9 HD2 LYS 9 12.898 -0.208 3.943 350 HE2 LYS 9 HE3 LYS 9 10.852 0.901 4.676 351 HE3 LYS 9 HE2 LYS 9 10.954 0.084 6.232 352 HZ1 LYS 9 HZ1 LYS 9 11.787 2.346 6.354 353 HZ2 LYS 9 HZ2 LYS 9 12.943 2.013 5.167 354 HZ3 LYS 9 HZ3 LYS 9 13.027 1.240 6.667 355 H VAL 10 H VAL 10 11.972 -3.541 0.805 356 HA VAL 10 HA VAL 10 9.668 -2.132 0.020 357 HB VAL 10 HB VAL 10 11.560 -3.714 -1.732 358 HG11 VAL 10 HG11 VAL 10 10.828 -2.213 -3.524 359 HG12 VAL 10 HG12 VAL 10 9.671 -1.466 -2.422 360 HG13 VAL 10 HG13 VAL 10 9.482 -3.158 -2.883 361 HG21 VAL 10 HG21 VAL 10 12.701 -2.053 -0.336 362 HG22 VAL 10 HG22 VAL 10 11.626 -0.803 -0.964 363 HG23 VAL 10 HG23 VAL 10 12.750 -1.624 -2.045 364 H GLU 11 H GLU 11 10.519 -5.556 -0.203 365 HA GLU 11 HA GLU 11 8.210 -6.398 -1.590 366 HB2 GLU 11 HB3 GLU 11 9.989 -7.922 0.320 367 HB3 GLU 11 HB2 GLU 11 8.773 -8.653 -0.720 368 HG2 GLU 11 HG3 GLU 11 9.962 -7.888 -2.689 369 HG3 GLU 11 HG2 GLU 11 11.158 -7.086 -1.670 370 H GLU 12 H GLU 12 8.922 -5.967 1.837 371 HA GLU 12 HA GLU 12 6.554 -6.946 2.919 372 HB2 GLU 12 HB3 GLU 12 8.301 -4.646 3.782 373 HB3 GLU 12 HB2 GLU 12 6.918 -5.191 4.719 374 HG2 GLU 12 HG3 GLU 12 9.264 -6.914 3.970 375 HG3 GLU 12 HG2 GLU 12 9.064 -6.094 5.517 376 H LEU 13 H LEU 13 7.210 -3.633 1.717 377 HA LEU 13 HA LEU 13 4.564 -2.773 2.180 378 HB2 LEU 13 HB3 LEU 13 6.766 -1.635 0.495 379 HB3 LEU 13 HB2 LEU 13 5.140 -0.985 0.405 380 HG LEU 13 HG LEU 13 5.257 -0.776 2.944 381 HD11 LEU 13 HD11 LEU 13 8.206 -1.009 2.354 382 HD12 LEU 13 HD12 LEU 13 7.244 -2.149 3.293 383 HD13 LEU 13 HD13 LEU 13 7.491 -0.508 3.886 384 HD21 LEU 13 HD21 LEU 13 5.255 1.139 1.488 385 HD22 LEU 13 HD22 LEU 13 6.974 0.931 1.146 386 HD23 LEU 13 HD23 LEU 13 6.445 1.387 2.767 387 H LEU 14 H LEU 14 5.913 -4.601 -0.460 388 HA LEU 14 HA LEU 14 3.829 -4.242 -2.299 389 HB2 LEU 14 HB3 LEU 14 5.542 -6.633 -1.685 390 HB3 LEU 14 HB2 LEU 14 4.331 -6.664 -2.954 391 HG LEU 14 HG LEU 14 7.007 -5.380 -2.926 392 HD11 LEU 14 HD11 LEU 14 6.827 -5.953 -5.358 393 HD12 LEU 14 HD12 LEU 14 5.254 -6.674 -5.010 394 HD13 LEU 14 HD13 LEU 14 6.716 -7.336 -4.270 395 HD21 LEU 14 HD21 LEU 14 5.651 -3.386 -3.134 396 HD22 LEU 14 HD22 LEU 14 4.683 -4.143 -4.401 397 HD23 LEU 14 HD23 LEU 14 6.382 -3.781 -4.687 398 H SER 15 H SER 15 4.104 -6.423 0.489 399 HA SER 15 HA SER 15 1.600 -7.653 0.041 400 HB2 SER 15 HB3 SER 15 1.756 -8.533 2.286 401 HB3 SER 15 HB2 SER 15 3.350 -8.611 1.543 402 HG SER 15 HG SER 15 3.800 -6.596 2.668 403 H LYS 16 H LYS 16 2.583 -4.759 1.884 404 HA LYS 16 HA LYS 16 0.063 -4.068 2.874 405 HB2 LYS 16 HB3 LYS 16 2.465 -2.488 2.052 406 HB3 LYS 16 HB2 LYS 16 0.974 -1.640 2.425 407 HG2 LYS 16 HG3 LYS 16 0.961 -2.641 4.655 408 HG3 LYS 16 HG2 LYS 16 2.463 -3.489 4.279 409 HD2 LYS 16 HD3 LYS 16 3.695 -1.495 4.186 410 HD3 LYS 16 HD2 LYS 16 2.243 -0.503 4.048 411 HE2 LYS 16 HE3 LYS 16 3.228 -0.297 6.261 412 HE3 LYS 16 HE2 LYS 16 1.643 -1.061 6.349 413 HZ1 LYS 16 HZ1 LYS 16 2.781 -3.224 6.481 414 HZ2 LYS 16 HZ2 LYS 16 3.171 -2.206 7.773 415 HZ3 LYS 16 HZ3 LYS 16 4.271 -2.425 6.514 416 H ASN 17 H ASN 17 1.544 -3.256 -0.268 417 HA ASN 17 HA ASN 17 -0.581 -1.808 -1.345 418 HB2 ASN 17 HB3 ASN 17 1.420 -3.575 -2.770 419 HB3 ASN 17 HB2 ASN 17 0.348 -2.437 -3.571 420 HD21 ASN 17 HD21 ASN 17 0.639 -0.460 -1.415 421 HD22 ASN 17 HD22 ASN 17 2.205 0.233 -1.625 422 H TYR 18 H TYR 18 0.184 -5.262 -1.825 423 HA TYR 18 HA TYR 18 -2.093 -5.787 -3.382 424 HB2 TYR 18 HB3 TYR 18 -0.363 -7.672 -1.778 425 HB3 TYR 18 HB2 TYR 18 -1.589 -8.190 -2.931 426 HD1 TYR 18 HD1 TYR 18 -1.226 -6.341 -5.156 427 HD2 TYR 18 HD2 TYR 18 1.697 -8.232 -2.709 428 HE1 TYR 18 HE1 TYR 18 0.408 -6.156 -6.979 429 HE2 TYR 18 HE2 TYR 18 3.340 -8.052 -4.530 430 HH TYR 18 HH TYR 18 3.353 -7.824 -6.986 431 H HIS 19 H HIS 19 -1.597 -6.094 0.128 432 HA HIS 19 HA HIS 19 -4.067 -7.370 0.650 433 HB2 HIS 19 HB3 HIS 19 -2.266 -5.680 2.373 434 HB3 HIS 19 HB2 HIS 19 -3.797 -6.304 2.976 435 HD1 HIS 19 HD1 HIS 19 -0.813 -7.091 3.924 436 HD2 HIS 19 HD2 HIS 19 -3.394 -9.339 1.562 437 HE1 HIS 19 HE1 HIS 19 -0.075 -9.476 4.195 438 HE2 HIS 19 HE2 HIS 19 -1.664 -10.825 2.781 439 H LEU 20 H LEU 20 -3.142 -3.951 0.631 440 HA LEU 20 HA LEU 20 -5.727 -2.974 1.257 441 HB2 LEU 20 HB3 LEU 20 -3.164 -1.849 0.328 442 HB3 LEU 20 HB2 LEU 20 -4.589 -0.931 -0.100 443 HG LEU 20 HG LEU 20 -3.497 -0.159 1.995 444 HD11 LEU 20 HD11 LEU 20 -6.278 -1.263 2.344 445 HD12 LEU 20 HD12 LEU 20 -5.862 0.276 1.589 446 HD13 LEU 20 HD13 LEU 20 -5.541 0.019 3.304 447 HD21 LEU 20 HD21 LEU 20 -2.747 -2.325 2.837 448 HD22 LEU 20 HD22 LEU 20 -4.424 -2.813 3.084 449 HD23 LEU 20 HD23 LEU 20 -3.745 -1.485 4.023 450 H GLU 21 H GLU 21 -4.081 -3.725 -1.759 451 HA GLU 21 HA GLU 21 -5.941 -2.630 -3.553 452 HB2 GLU 21 HB3 GLU 21 -3.674 -3.503 -4.143 453 HB3 GLU 21 HB2 GLU 21 -4.288 -5.135 -3.931 454 HG2 GLU 21 HG3 GLU 21 -5.895 -4.760 -5.738 455 HG3 GLU 21 HG2 GLU 21 -5.250 -3.133 -5.960 456 H ASN 22 H ASN 22 -5.764 -5.831 -2.044 457 HA ASN 22 HA ASN 22 -8.140 -6.821 -3.256 458 HB2 ASN 22 HB3 ASN 22 -6.526 -7.713 -0.876 459 HB3 ASN 22 HB2 ASN 22 -8.003 -8.536 -1.364 460 HD21 ASN 22 HD21 ASN 22 -6.870 -10.428 -1.802 461 HD22 ASN 22 HD22 ASN 22 -5.869 -10.592 -3.202 462 H GLU 23 H GLU 23 -7.477 -4.799 -0.581 463 HA GLU 23 HA GLU 23 -9.865 -5.309 0.904 464 HB2 GLU 23 HB3 GLU 23 -7.717 -4.469 1.882 465 HB3 GLU 23 HB2 GLU 23 -8.008 -2.922 1.062 466 HG2 GLU 23 HG3 GLU 23 -8.663 -2.712 3.339 467 HG3 GLU 23 HG2 GLU 23 -10.116 -2.712 2.344 468 H VAL 24 H VAL 24 -8.831 -2.819 -1.421 469 HA VAL 24 HA VAL 24 -11.250 -1.319 -1.228 470 HB VAL 24 HB VAL 24 -9.330 -1.390 -3.573 471 HG11 VAL 24 HG11 VAL 24 -10.236 0.784 -4.133 472 HG12 VAL 24 HG12 VAL 24 -11.286 0.755 -2.716 473 HG13 VAL 24 HG13 VAL 24 -11.551 -0.387 -4.037 474 HG21 VAL 24 HG21 VAL 24 -8.277 0.555 -2.570 475 HG22 VAL 24 HG22 VAL 24 -8.175 -0.838 -1.493 476 HG23 VAL 24 HG23 VAL 24 -9.353 0.437 -1.179 477 H ALA 25 H ALA 25 -10.165 -3.997 -3.231 478 HA ALA 25 HA ALA 25 -12.184 -3.870 -5.181 479 HB1 ALA 25 HB1 ALA 25 -10.790 -6.368 -4.264 480 HB2 ALA 25 HB2 ALA 25 -10.073 -5.182 -5.353 481 HB3 ALA 25 HB3 ALA 25 -11.522 -6.060 -5.835 482 H ARG 26 H ARG 26 -12.079 -5.579 -2.067 483 HA ARG 26 HA ARG 26 -14.501 -6.963 -2.476 484 HB2 ARG 26 HB3 ARG 26 -14.467 -7.174 0.056 485 HB3 ARG 26 HB2 ARG 26 -13.140 -7.895 -0.829 486 HG2 ARG 26 HG3 ARG 26 -11.758 -5.936 -0.266 487 HG3 ARG 26 HG2 ARG 26 -13.091 -5.288 0.694 488 HD2 ARG 26 HD2 ARG 26 -11.658 -7.905 1.146 489 HD3 ARG 26 HD1 ARG 26 -11.484 -6.440 2.109 490 HE ARG 26 HE ARG 26 -14.194 -7.341 1.996 491 HH11 ARG 26 HH11 ARG 26 -11.112 -7.915 3.558 492 HH12 ARG 26 HH12 ARG 26 -11.823 -8.558 5.004 493 HH21 ARG 26 HH21 ARG 26 -15.130 -8.213 3.877 494 HH22 ARG 26 HH22 ARG 26 -14.115 -8.732 5.185 495 H LEU 27 H LEU 27 -13.778 -3.893 -0.818 496 HA LEU 27 HA LEU 27 -16.453 -3.393 -0.066 497 HB2 LEU 27 HB3 LEU 27 -14.078 -1.601 -0.421 498 HB3 LEU 27 HB2 LEU 27 -15.666 -0.929 -0.161 499 HG LEU 27 HG LEU 27 -15.857 -2.067 1.971 500 HD11 LEU 27 HD11 LEU 27 -14.526 -4.043 1.535 501 HD12 LEU 27 HD12 LEU 27 -13.931 -3.205 2.969 502 HD13 LEU 27 HD13 LEU 27 -13.066 -3.059 1.438 503 HD21 LEU 27 HD21 LEU 27 -14.099 -0.827 3.181 504 HD22 LEU 27 HD22 LEU 27 -14.974 0.145 1.998 505 HD23 LEU 27 HD23 LEU 27 -13.352 -0.450 1.628 506 H LYS 28 H LYS 28 -14.656 -2.717 -3.013 507 HA LYS 28 HA LYS 28 -16.461 -1.067 -4.314 508 HB2 LYS 28 HB3 LYS 28 -14.188 -1.739 -5.134 509 HB3 LYS 28 HB2 LYS 28 -14.866 -3.292 -5.600 510 HG2 LYS 28 HG3 LYS 28 -14.711 -1.864 -7.526 511 HG3 LYS 28 HG2 LYS 28 -16.410 -2.129 -7.128 512 HD2 LYS 28 HD3 LYS 28 -16.483 0.046 -6.004 513 HD3 LYS 28 HD2 LYS 28 -14.783 0.307 -6.400 514 HE2 LYS 28 HE3 LYS 28 -15.327 0.220 -8.780 515 HE3 LYS 28 HE2 LYS 28 -17.024 -0.049 -8.387 516 HZ1 LYS 28 HZ1 LYS 28 -15.438 2.371 -7.731 517 HZ2 LYS 28 HZ2 LYS 28 -17.044 2.112 -7.277 518 HZ3 LYS 28 HZ3 LYS 28 -16.643 2.252 -8.912 519 H LYS 29 H LYS 29 -16.484 -4.587 -3.969 520 HA LYS 29 HA LYS 29 -18.831 -4.909 -5.579 521 HB2 LYS 29 HB3 LYS 29 -17.447 -6.822 -3.698 522 HB3 LYS 29 HB2 LYS 29 -18.735 -7.240 -4.815 523 HG2 LYS 29 HG3 LYS 29 -16.011 -6.210 -5.577 524 HG3 LYS 29 HG2 LYS 29 -16.556 -7.885 -5.688 525 HD2 LYS 29 HD3 LYS 29 -18.272 -7.228 -7.297 526 HD3 LYS 29 HD2 LYS 29 -17.752 -5.547 -7.174 527 HE2 LYS 29 HE3 LYS 29 -16.831 -6.584 -9.167 528 HE3 LYS 29 HE2 LYS 29 -15.548 -6.168 -8.033 529 HZ1 LYS 29 HZ1 LYS 29 -15.520 -8.483 -7.304 530 HZ2 LYS 29 HZ2 LYS 29 -15.195 -8.352 -8.954 531 HZ3 LYS 29 HZ3 LYS 29 -16.717 -8.867 -8.436 532 H LEU 30 H LEU 30 -18.133 -4.353 -2.219 533 HA LEU 30 HA LEU 30 -20.691 -5.143 -1.229 534 HB2 LEU 30 HB3 LEU 30 -18.649 -3.253 -0.054 535 HB3 LEU 30 HB2 LEU 30 -20.064 -3.850 0.790 536 HG LEU 30 HG LEU 30 -17.740 -5.523 -0.173 537 HD11 LEU 30 HD11 LEU 30 -18.614 -4.743 2.604 538 HD12 LEU 30 HD12 LEU 30 -17.197 -4.130 1.754 539 HD13 LEU 30 HD13 LEU 30 -17.286 -5.832 2.205 540 HD21 LEU 30 HD21 LEU 30 -19.812 -6.779 -0.298 541 HD22 LEU 30 HD22 LEU 30 -20.223 -6.304 1.349 542 HD23 LEU 30 HD23 LEU 30 -18.834 -7.350 1.054 543 H VAL 31 H VAL 31 -19.308 -2.165 -2.465 544 HA VAL 31 HA VAL 31 -21.616 -0.559 -1.911 545 HB VAL 31 HB VAL 31 -19.357 -0.062 -3.879 546 HG11 VAL 31 HG11 VAL 31 -21.326 1.279 -4.400 547 HG12 VAL 31 HG12 VAL 31 -20.038 2.291 -3.746 548 HG13 VAL 31 HG13 VAL 31 -21.404 1.837 -2.729 549 HG21 VAL 31 HG21 VAL 31 -18.432 1.388 -2.139 550 HG22 VAL 31 HG22 VAL 31 -18.539 -0.289 -1.602 551 HG23 VAL 31 HG23 VAL 31 -19.723 0.894 -1.042 552 H GLY 32 H GLY 32 -20.627 -2.704 -4.452 553 HA2 GLY 32 HA3 GLY 32 -22.586 -1.701 -6.344 554 HA3 GLY 32 HA2 GLY 32 -21.480 -3.042 -6.597 555 H GLU 33 H GLU 33 -22.069 -4.637 -4.432 556 HA GLU 33 HA GLU 33 -23.458 -6.262 -3.705 557 HB2 GLU 33 HB3 GLU 33 -25.634 -4.286 -4.412 558 HB3 GLU 33 HB2 GLU 33 -25.896 -5.789 -3.537 559 HG2 GLU 33 HG3 GLU 33 -24.458 -5.005 -1.736 560 HG3 GLU 33 HG2 GLU 33 -24.160 -3.507 -2.617
Contact the webmaster for help, if required. Sunday, July 7, 2024 8:00:00 PM GMT (wattos1)