NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
494593 | 2kxx | 16926 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 17 H1 GLY 17 7.319 13.544 -8.044 2 H2 GLY 17 H2 GLY 17 7.269 11.904 -7.614 3 H3 GLY 17 H3 GLY 17 6.122 12.535 -8.683 4 HA2 GLY 17 HA2 GLY 17 9.028 12.395 -9.238 5 HA3 GLY 17 HA3 GLY 17 7.850 11.221 -9.812 6 H SER 18 H SER 18 8.882 11.989 -11.892 7 HA SER 18 HA SER 18 8.270 14.563 -12.906 8 HB2 SER 18 HB2 SER 18 8.798 12.006 -14.442 9 HB3 SER 18 HB3 SER 18 8.942 13.651 -15.064 10 HG SER 18 HG SER 18 10.905 13.622 -14.334 11 H HIS 19 H HIS 19 6.683 11.409 -13.173 12 HA HIS 19 HA HIS 19 4.401 12.516 -14.567 13 HB2 HIS 19 HB2 HIS 19 5.253 10.151 -14.875 14 HB3 HIS 19 HB1 HIS 19 4.674 9.801 -13.252 15 HD1 HIS 19 HD1 HIS 19 2.054 9.850 -12.911 16 HD2 HIS 19 HD2 HIS 19 3.343 10.080 -16.852 17 HE1 HIS 19 HE1 HIS 19 0.042 9.297 -14.313 18 HE2 HIS 19 HE2 HIS 19 0.900 9.256 -16.689 19 H MET 20 H MET 20 4.115 14.178 -12.871 20 HA MET 20 HA MET 20 3.291 13.369 -10.236 21 HB2 MET 20 HB2 MET 20 4.518 15.475 -10.632 22 HB3 MET 20 HB3 MET 20 3.165 16.074 -11.581 23 HG2 MET 20 HG2 MET 20 3.155 17.025 -9.356 24 HG3 MET 20 HG3 MET 20 1.738 16.010 -9.613 25 HE1 MET 20 HE1 MET 20 2.472 15.518 -5.801 26 HE2 MET 20 HE2 MET 20 1.284 16.008 -7.008 27 HE3 MET 20 HE3 MET 20 2.714 16.999 -6.728 28 H SER 21 H SER 21 1.774 14.030 -13.255 29 HA SER 21 HA SER 21 -0.796 14.735 -12.575 30 HB2 SER 21 HB2 SER 21 0.020 12.798 -14.754 31 HB3 SER 21 HB3 SER 21 -1.494 13.698 -14.681 32 HG SER 21 HG SER 21 -0.037 14.756 -16.041 33 H THR 22 H THR 22 -2.040 13.865 -11.080 34 HA THR 22 HA THR 22 -2.080 10.937 -10.745 35 HB THR 22 HB THR 22 -3.310 12.885 -8.809 36 HG1 THR 22 HG1 THR 22 -0.715 12.834 -9.475 37 HG21 THR 22 HG21 THR 22 -3.744 10.496 -8.489 38 HG22 THR 22 HG22 THR 22 -2.742 11.131 -7.185 39 HG23 THR 22 HG23 THR 22 -2.009 10.175 -8.474 40 H LEU 23 H LEU 23 -3.378 12.052 -12.928 41 HA LEU 23 HA LEU 23 -6.139 12.615 -12.305 42 HB2 LEU 23 HB2 LEU 23 -4.854 13.737 -14.134 43 HB3 LEU 23 HB3 LEU 23 -4.818 12.208 -14.989 44 HG LEU 23 HG LEU 23 -7.311 12.250 -15.067 45 HD11 LEU 23 HD11 LEU 23 -8.451 14.359 -14.594 46 HD12 LEU 23 HD12 LEU 23 -6.942 15.040 -13.986 47 HD13 LEU 23 HD13 LEU 23 -7.703 13.691 -13.143 48 HD21 LEU 23 HD21 LEU 23 -5.944 13.015 -16.955 49 HD22 LEU 23 HD22 LEU 23 -5.937 14.645 -16.279 50 HD23 LEU 23 HD23 LEU 23 -7.451 13.924 -16.824 51 H GLU 24 H GLU 24 -4.236 9.965 -13.585 52 HA GLU 24 HA GLU 24 -6.489 8.340 -14.276 53 HB2 GLU 24 HB2 GLU 24 -4.305 8.031 -15.367 54 HB3 GLU 24 HB3 GLU 24 -3.596 7.566 -13.826 55 HG2 GLU 24 HG2 GLU 24 -4.087 5.642 -15.262 56 HG3 GLU 24 HG3 GLU 24 -4.972 5.589 -13.739 57 H ARG 25 H ARG 25 -7.533 6.852 -13.092 58 HA ARG 25 HA ARG 25 -6.570 5.843 -10.601 59 HB2 ARG 25 HB2 ARG 25 -7.304 8.220 -10.058 60 HB3 ARG 25 HB1 ARG 25 -8.942 7.709 -10.433 61 HG2 ARG 25 HG2 ARG 25 -8.929 6.132 -8.627 62 HG3 ARG 25 HG1 ARG 25 -7.220 6.446 -8.313 63 HD2 ARG 25 HD2 ARG 25 -9.477 8.428 -8.025 64 HD3 ARG 25 HD1 ARG 25 -8.645 7.605 -6.708 65 HE ARG 25 HE ARG 25 -7.172 9.369 -8.541 66 HH11 ARG 25 HH11 ARG 25 -8.206 8.505 -5.319 67 HH12 ARG 25 HH12 ARG 25 -7.189 9.665 -4.527 68 HH21 ARG 25 HH21 ARG 25 -5.821 10.915 -7.517 69 HH22 ARG 25 HH22 ARG 25 -5.832 11.047 -5.790 70 H VAL 26 H VAL 26 -8.035 5.356 -13.308 71 HA VAL 26 HA VAL 26 -9.462 3.826 -14.171 72 HB VAL 26 HB VAL 26 -9.779 2.804 -11.343 73 HG11 VAL 26 HG11 VAL 26 -10.583 0.744 -12.399 74 HG12 VAL 26 HG12 VAL 26 -10.485 1.522 -13.980 75 HG13 VAL 26 HG13 VAL 26 -11.627 2.117 -12.775 76 HG21 VAL 26 HG21 VAL 26 -8.165 1.093 -11.986 77 HG22 VAL 26 HG22 VAL 26 -7.464 2.706 -12.140 78 HG23 VAL 26 HG23 VAL 26 -8.000 1.835 -13.577 79 H VAL 27 H VAL 27 -10.907 4.570 -11.002 80 HA VAL 27 HA VAL 27 -13.059 6.004 -12.303 81 HB VAL 27 HB VAL 27 -13.546 3.418 -11.945 82 HG11 VAL 27 HG11 VAL 27 -13.022 3.371 -9.580 83 HG12 VAL 27 HG12 VAL 27 -14.726 2.993 -9.839 84 HG13 VAL 27 HG13 VAL 27 -14.255 4.598 -9.263 85 HG21 VAL 27 HG21 VAL 27 -15.104 5.075 -12.882 86 HG22 VAL 27 HG22 VAL 27 -15.581 5.532 -11.247 87 HG23 VAL 27 HG23 VAL 27 -15.915 3.906 -11.842 88 H TYR 28 H TYR 28 -14.596 6.815 -10.436 89 HA TYR 28 HA TYR 28 -13.017 8.183 -8.524 90 HB2 TYR 28 HB2 TYR 28 -16.009 7.832 -8.749 91 HB3 TYR 28 HB3 TYR 28 -15.211 8.920 -7.625 92 HD1 TYR 28 HD2 TYR 28 -13.689 10.714 -8.612 93 HD2 TYR 28 HD1 TYR 28 -16.543 8.569 -10.915 94 HE1 TYR 28 HE2 TYR 28 -13.625 12.483 -10.320 95 HE2 TYR 28 HE1 TYR 28 -16.489 10.327 -12.635 96 HH TYR 28 HH TYR 28 -14.099 12.769 -12.688 97 H ARG 29 H ARG 29 -11.956 6.824 -7.163 98 HA ARG 29 HA ARG 29 -13.659 5.456 -5.200 99 HB2 ARG 29 HB2 ARG 29 -11.709 3.834 -4.890 100 HB3 ARG 29 HB1 ARG 29 -12.675 3.647 -6.345 101 HG2 ARG 29 HG2 ARG 29 -10.957 4.849 -7.624 102 HG3 ARG 29 HG1 ARG 29 -9.981 4.981 -6.160 103 HD2 ARG 29 HD2 ARG 29 -9.248 3.121 -7.583 104 HD3 ARG 29 HD1 ARG 29 -9.828 2.556 -6.017 105 HE ARG 29 HE ARG 29 -12.028 2.341 -7.556 106 HH11 ARG 29 HH11 ARG 29 -8.728 1.204 -7.979 107 HH12 ARG 29 HH12 ARG 29 -9.200 -0.147 -8.974 108 HH21 ARG 29 HH21 ARG 29 -12.634 0.562 -8.819 109 HH22 ARG 29 HH22 ARG 29 -11.426 -0.532 -9.426 110 HA PRO 30 HA PRO 30 -11.265 8.869 -3.318 111 HB2 PRO 30 HB2 PRO 30 -13.615 9.035 -1.567 112 HB3 PRO 30 HB3 PRO 30 -12.882 10.263 -2.598 113 HG2 PRO 30 HG2 PRO 30 -15.225 9.177 -3.235 114 HG3 PRO 30 HG3 PRO 30 -14.016 9.585 -4.462 115 HD2 PRO 30 HD2 PRO 30 -14.622 6.923 -3.257 116 HD3 PRO 30 HD3 PRO 30 -14.396 7.365 -4.957 117 H ASP 31 H ASP 31 -9.909 8.790 -1.698 118 HA ASP 31 HA ASP 31 -10.537 8.152 0.931 119 HB2 ASP 31 HB2 ASP 31 -10.386 5.786 0.031 120 HB3 ASP 31 HB3 ASP 31 -8.680 6.102 -0.257 121 H ILE 32 H ILE 32 -7.672 7.467 -0.886 122 HA ILE 32 HA ILE 32 -6.239 9.619 0.450 123 HB ILE 32 HB ILE 32 -5.149 7.482 -1.374 124 HG12 ILE 32 HG12 ILE 32 -6.280 6.595 0.645 125 HG13 ILE 32 HG13 ILE 32 -4.550 6.307 0.651 126 HG21 ILE 32 HG21 ILE 32 -3.042 8.083 -0.106 127 HG22 ILE 32 HG22 ILE 32 -3.906 9.522 0.447 128 HG23 ILE 32 HG23 ILE 32 -3.612 9.276 -1.278 129 HD11 ILE 32 HD11 ILE 32 -5.521 7.055 2.811 130 HD12 ILE 32 HD12 ILE 32 -5.836 8.613 2.061 131 HD13 ILE 32 HD13 ILE 32 -4.178 8.029 2.224 132 H ASN 33 H ASN 33 -5.207 11.236 -0.641 133 HA ASN 33 HA ASN 33 -6.097 11.745 -3.383 134 HB2 ASN 33 HB2 ASN 33 -4.578 13.607 -1.555 135 HB3 ASN 33 HB3 ASN 33 -5.511 14.032 -2.988 136 HD21 ASN 33 HD21 ASN 33 -5.620 13.117 0.340 137 HD22 ASN 33 HD22 ASN 33 -7.287 13.495 0.614 138 H GLN 34 H GLN 34 -3.402 10.716 -1.572 139 HA GLN 34 HA GLN 34 -1.453 11.863 -3.357 140 HB2 GLN 34 HB2 GLN 34 0.166 11.413 -1.763 141 HB3 GLN 34 HB3 GLN 34 -1.257 11.675 -0.776 142 HG2 GLN 34 HG2 GLN 34 -1.517 9.360 -0.370 143 HG3 GLN 34 HG3 GLN 34 -0.320 8.954 -1.613 144 HE21 GLN 34 HE21 GLN 34 -0.342 8.191 1.094 145 HE22 GLN 34 HE22 GLN 34 1.080 8.813 1.823 146 H GLY 35 H GLY 35 -3.294 9.237 -3.641 147 HA2 GLY 35 HA3 GLY 35 -1.774 8.041 -5.646 148 HA3 GLY 35 HA2 GLY 35 -1.422 7.183 -4.157 149 H ASN 36 H ASN 36 -2.390 5.723 -6.093 150 HA ASN 36 HA ASN 36 -5.193 5.193 -5.310 151 HB2 ASN 36 HB2 ASN 36 -4.835 6.061 -7.666 152 HB3 ASN 36 HB3 ASN 36 -3.951 4.587 -7.999 153 HD21 ASN 36 HD21 ASN 36 -5.385 3.970 -9.574 154 HD22 ASN 36 HD22 ASN 36 -6.963 3.392 -9.203 155 H TYR 37 H TYR 37 -2.474 4.313 -4.444 156 HA TYR 37 HA TYR 37 -2.473 1.479 -5.137 157 HB2 TYR 37 HB2 TYR 37 -0.180 1.644 -3.910 158 HB3 TYR 37 HB3 TYR 37 -0.337 2.321 -5.525 159 HD1 TYR 37 HD2 TYR 37 -0.968 3.493 -2.017 160 HD2 TYR 37 HD1 TYR 37 0.730 4.334 -5.823 161 HE1 TYR 37 HE2 TYR 37 -0.205 5.676 -1.185 162 HE2 TYR 37 HE1 TYR 37 1.502 6.517 -5.005 163 HH TYR 37 HH TYR 37 0.859 8.142 -3.216 164 H LEU 38 H LEU 38 -1.146 0.421 -3.009 165 HA LEU 38 HA LEU 38 -3.200 0.104 -1.066 166 HB2 LEU 38 HB2 LEU 38 -1.628 -1.703 -1.687 167 HB3 LEU 38 HB3 LEU 38 -0.320 -0.801 -0.938 168 HG LEU 38 HG LEU 38 -2.005 -0.930 1.139 169 HD11 LEU 38 HD11 LEU 38 -3.747 -2.136 0.175 170 HD12 LEU 38 HD12 LEU 38 -2.858 -3.332 1.113 171 HD13 LEU 38 HD13 LEU 38 -2.653 -3.243 -0.638 172 HD21 LEU 38 HD21 LEU 38 0.316 -1.639 1.167 173 HD22 LEU 38 HD22 LEU 38 -0.114 -3.119 0.311 174 HD23 LEU 38 HD23 LEU 38 -0.717 -2.839 1.944 175 H THR 39 H THR 39 -3.103 0.598 1.152 176 HA THR 39 HA THR 39 -1.197 2.695 1.897 177 HB THR 39 HB THR 39 -2.888 3.912 3.070 178 HG1 THR 39 HG1 THR 39 -4.828 2.000 2.227 179 HG21 THR 39 HG21 THR 39 -2.743 3.904 0.448 180 HG22 THR 39 HG22 THR 39 -4.004 4.813 1.283 181 HG23 THR 39 HG23 THR 39 -4.369 3.234 0.581 182 H ALA 40 H ALA 40 -1.727 3.085 4.436 183 HA ALA 40 HA ALA 40 -0.571 0.870 5.742 184 HB1 ALA 40 HB1 ALA 40 -1.894 3.291 6.940 185 HB2 ALA 40 HB2 ALA 40 -0.203 3.174 6.457 186 HB3 ALA 40 HB3 ALA 40 -0.813 2.177 7.776 187 H ASN 41 H ASN 41 -3.888 2.011 5.467 188 HA ASN 41 HA ASN 41 -5.070 0.644 7.595 189 HB2 ASN 41 HB2 ASN 41 -6.241 1.222 4.867 190 HB3 ASN 41 HB3 ASN 41 -7.163 0.704 6.269 191 HD21 ASN 41 HD21 ASN 41 -7.473 3.061 4.707 192 HD22 ASN 41 HD22 ASN 41 -7.252 4.406 5.775 193 H ASP 42 H ASP 42 -4.484 -0.339 4.286 194 HA ASP 42 HA ASP 42 -5.712 -2.894 4.621 195 HB2 ASP 42 HB2 ASP 42 -4.182 -1.565 2.425 196 HB3 ASP 42 HB3 ASP 42 -4.494 -3.294 2.343 197 H VAL 43 H VAL 43 -2.426 -1.683 4.913 198 HA VAL 43 HA VAL 43 -1.132 -4.185 5.086 199 HB VAL 43 HB VAL 43 -0.447 -1.601 6.501 200 HG11 VAL 43 HG11 VAL 43 1.152 -4.120 6.142 201 HG12 VAL 43 HG12 VAL 43 0.506 -3.508 7.670 202 HG13 VAL 43 HG13 VAL 43 1.773 -2.610 6.825 203 HG21 VAL 43 HG21 VAL 43 1.015 -2.800 4.216 204 HG22 VAL 43 HG22 VAL 43 1.005 -1.124 4.761 205 HG23 VAL 43 HG23 VAL 43 -0.400 -1.794 3.925 206 H SER 44 H SER 44 -2.787 -2.195 7.465 207 HA SER 44 HA SER 44 -2.341 -3.827 9.709 208 HB2 SER 44 HB2 SER 44 -3.112 -1.501 9.817 209 HB3 SER 44 HB3 SER 44 -4.676 -1.987 9.168 210 HG SER 44 HG SER 44 -3.485 -2.791 11.624 211 H LYS 45 H LYS 45 -4.468 -4.105 7.013 212 HA LYS 45 HA LYS 45 -6.372 -5.886 8.133 213 HB2 LYS 45 HB2 LYS 45 -5.558 -5.302 5.308 214 HB3 LYS 45 HB1 LYS 45 -6.844 -6.430 5.715 215 HG2 LYS 45 HG2 LYS 45 -8.102 -4.653 6.777 216 HG3 LYS 45 HG1 LYS 45 -6.786 -3.511 6.484 217 HD2 LYS 45 HD2 LYS 45 -8.562 -3.261 4.827 218 HD3 LYS 45 HD1 LYS 45 -7.065 -3.819 4.078 219 HE2 LYS 45 HE2 LYS 45 -8.002 -6.165 4.397 220 HE3 LYS 45 HE1 LYS 45 -9.550 -5.375 4.684 221 HZ1 LYS 45 HZ1 LYS 45 -7.903 -5.126 2.221 222 HZ2 LYS 45 HZ2 LYS 45 -9.367 -4.314 2.506 223 HZ3 LYS 45 HZ3 LYS 45 -9.347 -6.004 2.381 224 H ILE 46 H ILE 46 -3.412 -6.392 6.231 225 HA ILE 46 HA ILE 46 -3.801 -9.205 6.175 226 HB ILE 46 HB ILE 46 -1.564 -9.366 5.218 227 HG12 ILE 46 HG12 ILE 46 -1.480 -6.350 5.530 228 HG13 ILE 46 HG13 ILE 46 -0.422 -7.523 6.313 229 HG21 ILE 46 HG21 ILE 46 -2.128 -8.362 3.122 230 HG22 ILE 46 HG22 ILE 46 -3.287 -7.292 3.915 231 HG23 ILE 46 HG23 ILE 46 -3.564 -9.036 3.893 232 HD11 ILE 46 HD11 ILE 46 0.010 -8.201 3.771 233 HD12 ILE 46 HD12 ILE 46 0.941 -6.946 4.613 234 HD13 ILE 46 HD13 ILE 46 -0.401 -6.496 3.551 235 H ARG 47 H ARG 47 -1.853 -10.572 6.691 236 HA ARG 47 HA ARG 47 -0.451 -10.034 9.113 237 HB2 ARG 47 HB2 ARG 47 -1.570 -11.699 10.519 238 HB3 ARG 47 HB1 ARG 47 -2.704 -10.444 10.047 239 HG2 ARG 47 HG2 ARG 47 -2.543 -12.930 8.415 240 HG3 ARG 47 HG1 ARG 47 -3.375 -12.977 9.968 241 HD2 ARG 47 HD2 ARG 47 -3.995 -11.055 7.712 242 HD3 ARG 47 HD1 ARG 47 -4.896 -12.533 8.065 243 HE ARG 47 HE ARG 47 -4.660 -10.496 10.161 244 HH11 ARG 47 HH11 ARG 47 -6.647 -12.248 7.870 245 HH12 ARG 47 HH12 ARG 47 -8.147 -11.664 8.531 246 HH21 ARG 47 HH21 ARG 47 -6.635 -9.733 11.047 247 HH22 ARG 47 HH22 ARG 47 -8.139 -10.237 10.336 248 H VAL 48 H VAL 48 1.044 -11.609 9.582 249 HA VAL 48 HA VAL 48 1.915 -13.117 7.337 250 HB VAL 48 HB VAL 48 2.995 -13.711 10.016 251 HG11 VAL 48 HG11 VAL 48 4.234 -12.988 7.370 252 HG12 VAL 48 HG12 VAL 48 4.010 -14.626 8.003 253 HG13 VAL 48 HG13 VAL 48 5.116 -13.512 8.808 254 HG21 VAL 48 HG21 VAL 48 3.193 -11.023 8.711 255 HG22 VAL 48 HG22 VAL 48 4.299 -11.576 9.970 256 HG23 VAL 48 HG23 VAL 48 2.578 -11.386 10.322 257 H GLY 49 H GLY 49 1.920 -15.357 7.066 258 HA2 GLY 49 HA3 GLY 49 1.466 -17.553 8.130 259 HA3 GLY 49 HA2 GLY 49 0.068 -16.787 8.866 260 H MET 50 H MET 50 -0.700 -15.313 6.446 261 HA MET 50 HA MET 50 -1.951 -17.533 5.074 262 HB2 MET 50 HB2 MET 50 -3.121 -15.743 3.729 263 HB3 MET 50 HB3 MET 50 -3.515 -15.824 5.431 264 HG2 MET 50 HG2 MET 50 -2.076 -13.898 5.845 265 HG3 MET 50 HG3 MET 50 -1.640 -13.864 4.143 266 HE1 MET 50 HE1 MET 50 -3.643 -10.764 3.937 267 HE2 MET 50 HE2 MET 50 -2.104 -11.483 4.451 268 HE3 MET 50 HE3 MET 50 -3.324 -11.065 5.652 269 H THR 51 H THR 51 -2.257 -16.950 2.562 270 HA THR 51 HA THR 51 0.428 -17.491 1.602 271 HB THR 51 HB THR 51 -0.605 -18.408 -0.362 272 HG1 THR 51 HG1 THR 51 -3.049 -18.368 -0.287 273 HG21 THR 51 HG21 THR 51 -1.982 -19.115 2.189 274 HG22 THR 51 HG22 THR 51 -0.621 -19.940 1.425 275 HG23 THR 51 HG23 THR 51 -2.225 -20.015 0.696 276 H GLN 52 H GLN 52 0.450 -16.892 -0.956 277 HA GLN 52 HA GLN 52 0.615 -14.070 -1.166 278 HB2 GLN 52 HB2 GLN 52 0.623 -16.237 -3.265 279 HB3 GLN 52 HB3 GLN 52 0.914 -14.542 -3.619 280 HG2 GLN 52 HG2 GLN 52 2.860 -14.580 -2.131 281 HG3 GLN 52 HG3 GLN 52 2.581 -16.293 -1.828 282 HE21 GLN 52 HE21 GLN 52 4.871 -14.904 -3.001 283 HE22 GLN 52 HE22 GLN 52 5.114 -15.596 -4.565 284 H GLN 53 H GLN 53 -1.744 -16.490 -2.285 285 HA GLN 53 HA GLN 53 -3.265 -14.667 -3.839 286 HB2 GLN 53 HB2 GLN 53 -5.017 -16.360 -3.827 287 HB3 GLN 53 HB3 GLN 53 -3.460 -17.086 -4.150 288 HG2 GLN 53 HG2 GLN 53 -3.389 -18.094 -2.084 289 HG3 GLN 53 HG3 GLN 53 -4.624 -17.041 -1.408 290 HE21 GLN 53 HE21 GLN 53 -6.782 -17.426 -1.885 291 HE22 GLN 53 HE22 GLN 53 -7.320 -18.953 -2.523 292 H GLN 54 H GLN 54 -3.360 -15.659 -0.515 293 HA GLN 54 HA GLN 54 -5.773 -14.459 0.240 294 HB2 GLN 54 HB2 GLN 54 -3.282 -14.684 1.923 295 HB3 GLN 54 HB3 GLN 54 -4.928 -14.506 2.508 296 HG2 GLN 54 HG2 GLN 54 -4.437 -16.808 0.771 297 HG3 GLN 54 HG3 GLN 54 -3.620 -16.841 2.333 298 HE21 GLN 54 HE21 GLN 54 -4.738 -18.386 3.291 299 HE22 GLN 54 HE22 GLN 54 -6.450 -18.317 3.625 300 H VAL 55 H VAL 55 -2.448 -13.221 0.576 301 HA VAL 55 HA VAL 55 -3.160 -10.667 1.457 302 HB VAL 55 HB VAL 55 -0.667 -11.586 0.037 303 HG11 VAL 55 HG11 VAL 55 -1.083 -9.057 1.612 304 HG12 VAL 55 HG12 VAL 55 -1.087 -9.132 -0.149 305 HG13 VAL 55 HG13 VAL 55 0.378 -9.547 0.749 306 HG21 VAL 55 HG21 VAL 55 -1.002 -10.934 2.931 307 HG22 VAL 55 HG22 VAL 55 0.271 -11.875 2.148 308 HG23 VAL 55 HG23 VAL 55 -1.357 -12.551 2.302 309 H ALA 56 H ALA 56 -2.553 -11.888 -1.822 310 HA ALA 56 HA ALA 56 -2.546 -9.436 -3.156 311 HB1 ALA 56 HB1 ALA 56 -1.925 -11.189 -4.519 312 HB2 ALA 56 HB2 ALA 56 -3.561 -10.867 -5.078 313 HB3 ALA 56 HB3 ALA 56 -3.254 -12.214 -3.980 314 H TYR 57 H TYR 57 -5.190 -11.437 -2.040 315 HA TYR 57 HA TYR 57 -7.149 -9.746 -3.300 316 HB2 TYR 57 HB2 TYR 57 -7.137 -12.312 -1.873 317 HB3 TYR 57 HB3 TYR 57 -8.609 -11.347 -1.698 318 HD1 TYR 57 HD2 TYR 57 -6.273 -11.637 -4.615 319 HD2 TYR 57 HD1 TYR 57 -10.188 -12.381 -3.075 320 HE1 TYR 57 HE2 TYR 57 -7.039 -12.287 -6.847 321 HE2 TYR 57 HE1 TYR 57 -10.951 -13.024 -5.319 322 HH TYR 57 HH TYR 57 -8.878 -13.722 -7.847 323 H ALA 58 H ALA 58 -5.804 -10.162 -0.078 324 HA ALA 58 HA ALA 58 -7.679 -8.518 1.286 325 HB1 ALA 58 HB1 ALA 58 -4.817 -9.077 2.069 326 HB2 ALA 58 HB2 ALA 58 -6.178 -10.166 2.377 327 HB3 ALA 58 HB3 ALA 58 -6.145 -8.568 3.127 328 H LEU 59 H LEU 59 -4.598 -7.996 -0.247 329 HA LEU 59 HA LEU 59 -4.439 -5.229 0.614 330 HB2 LEU 59 HB2 LEU 59 -2.649 -7.335 0.044 331 HB3 LEU 59 HB3 LEU 59 -2.324 -6.086 -1.134 332 HG LEU 59 HG LEU 59 -1.683 -4.548 0.518 333 HD11 LEU 59 HD11 LEU 59 -3.203 -6.376 2.329 334 HD12 LEU 59 HD12 LEU 59 -3.393 -4.626 2.089 335 HD13 LEU 59 HD13 LEU 59 -1.998 -5.258 2.979 336 HD21 LEU 59 HD21 LEU 59 -0.848 -7.283 1.424 337 HD22 LEU 59 HD22 LEU 59 -0.033 -5.774 1.846 338 HD23 LEU 59 HD23 LEU 59 -0.058 -6.326 0.168 339 H GLY 60 H GLY 60 -4.678 -7.123 -2.334 340 HA2 GLY 60 HA3 GLY 60 -5.759 -6.188 -4.302 341 HA3 GLY 60 HA2 GLY 60 -5.060 -4.630 -3.861 342 H THR 61 H THR 61 -4.764 -6.988 -6.028 343 HA THR 61 HA THR 61 -2.101 -7.801 -5.923 344 HB THR 61 HB THR 61 -2.361 -8.345 -8.331 345 HG1 THR 61 HG1 THR 61 -4.282 -6.478 -8.185 346 HG21 THR 61 HG21 THR 61 -3.156 -9.847 -6.506 347 HG22 THR 61 HG22 THR 61 -4.066 -10.025 -8.009 348 HG23 THR 61 HG23 THR 61 -4.759 -9.122 -6.662 349 HA PRO 62 HA PRO 62 0.208 -4.188 -6.664 350 HB2 PRO 62 HB2 PRO 62 2.255 -5.910 -7.895 351 HB3 PRO 62 HB3 PRO 62 2.340 -4.923 -6.434 352 HG2 PRO 62 HG2 PRO 62 2.236 -7.599 -6.323 353 HG3 PRO 62 HG3 PRO 62 1.455 -6.582 -5.100 354 HD2 PRO 62 HD2 PRO 62 0.239 -8.039 -7.413 355 HD3 PRO 62 HD3 PRO 62 -0.375 -7.841 -5.760 356 H LEU 63 H LEU 63 1.619 -3.162 -8.330 357 HA LEU 63 HA LEU 63 0.109 -2.332 -10.444 358 HB2 LEU 63 HB2 LEU 63 3.109 -2.421 -10.495 359 HB3 LEU 63 HB3 LEU 63 2.047 -1.216 -11.205 360 HG LEU 63 HG LEU 63 2.183 -1.673 -8.235 361 HD11 LEU 63 HD11 LEU 63 4.416 -1.142 -9.136 362 HD12 LEU 63 HD12 LEU 63 3.772 0.141 -8.103 363 HD13 LEU 63 HD13 LEU 63 3.757 0.328 -9.858 364 HD21 LEU 63 HD21 LEU 63 0.934 0.305 -10.075 365 HD22 LEU 63 HD22 LEU 63 1.515 0.873 -8.509 366 HD23 LEU 63 HD23 LEU 63 0.312 -0.414 -8.589 367 H MET 64 H MET 64 2.786 -4.669 -10.556 368 HA MET 64 HA MET 64 2.748 -5.299 -13.249 369 HB2 MET 64 HB2 MET 64 3.610 -7.585 -12.467 370 HB3 MET 64 HB3 MET 64 4.534 -6.158 -12.022 371 HG2 MET 64 HG2 MET 64 3.364 -6.200 -9.812 372 HG3 MET 64 HG3 MET 64 2.681 -7.761 -10.269 373 HE1 MET 64 HE1 MET 64 5.059 -8.864 -7.646 374 HE2 MET 64 HE2 MET 64 3.584 -7.926 -7.933 375 HE3 MET 64 HE3 MET 64 5.103 -7.099 -7.591 376 H SER 65 H SER 65 0.388 -6.068 -10.899 377 HA SER 65 HA SER 65 -1.686 -6.917 -11.077 378 HB2 SER 65 HB2 SER 65 -1.602 -5.842 -13.375 379 HB3 SER 65 HB3 SER 65 -1.208 -7.438 -14.010 380 HG SER 65 HG SER 65 -3.201 -8.161 -12.992 381 H ASP 66 H ASP 66 1.049 -8.631 -11.628 382 HA ASP 66 HA ASP 66 -0.394 -11.135 -11.160 383 HB2 ASP 66 HB2 ASP 66 1.396 -12.376 -12.289 384 HB3 ASP 66 HB3 ASP 66 0.592 -11.259 -13.379 385 HA PRO 67 HA PRO 67 2.051 -10.339 -7.434 386 HB2 PRO 67 HB2 PRO 67 0.354 -11.680 -5.785 387 HB3 PRO 67 HB3 PRO 67 0.063 -10.013 -6.298 388 HG2 PRO 67 HG2 PRO 67 -1.096 -12.560 -7.383 389 HG3 PRO 67 HG3 PRO 67 -1.921 -11.032 -7.009 390 HD2 PRO 67 HD2 PRO 67 -1.191 -11.702 -9.536 391 HD3 PRO 67 HD3 PRO 67 -1.190 -10.022 -8.962 392 H PHE 68 H PHE 68 0.683 -13.340 -8.673 393 HA PHE 68 HA PHE 68 2.200 -15.052 -6.966 394 HB2 PHE 68 HB2 PHE 68 0.752 -15.817 -9.498 395 HB3 PHE 68 HB3 PHE 68 1.109 -16.828 -8.108 396 HD1 PHE 68 HD2 PHE 68 0.227 -15.366 -5.839 397 HD2 PHE 68 HD1 PHE 68 -1.514 -15.557 -9.713 398 HE1 PHE 68 HE2 PHE 68 -1.964 -14.814 -4.873 399 HE2 PHE 68 HE1 PHE 68 -3.713 -14.998 -8.757 400 HZ PHE 68 HZ PHE 68 -3.939 -14.629 -6.332 401 H GLY 69 H GLY 69 3.367 -13.156 -9.248 402 HA2 GLY 69 HA3 GLY 69 4.949 -15.174 -10.657 403 HA3 GLY 69 HA2 GLY 69 4.875 -13.459 -11.045 404 H THR 70 H THR 70 5.194 -12.924 -8.068 405 HA THR 70 HA THR 70 8.103 -13.370 -7.954 406 HB THR 70 HB THR 70 7.460 -11.016 -8.619 407 HG1 THR 70 HG1 THR 70 9.450 -11.102 -7.740 408 HG21 THR 70 HG21 THR 70 5.446 -10.871 -7.190 409 HG22 THR 70 HG22 THR 70 6.577 -9.535 -6.932 410 HG23 THR 70 HG23 THR 70 6.500 -10.860 -5.769 411 H ASN 71 H ASN 71 8.904 -12.755 -5.654 412 HA ASN 71 HA ASN 71 7.050 -13.877 -3.656 413 HB2 ASN 71 HB2 ASN 71 10.015 -14.330 -4.003 414 HB3 ASN 71 HB3 ASN 71 9.215 -14.619 -2.464 415 HD21 ASN 71 HD21 ASN 71 9.637 -16.794 -2.464 416 HD22 ASN 71 HD22 ASN 71 8.855 -17.901 -3.544 417 H THR 72 H THR 72 8.317 -11.101 -4.623 418 HA THR 72 HA THR 72 8.478 -10.020 -1.899 419 HB THR 72 HB THR 72 10.239 -9.095 -4.172 420 HG1 THR 72 HG1 THR 72 10.515 -11.196 -2.368 421 HG21 THR 72 HG21 THR 72 9.726 -7.502 -2.351 422 HG22 THR 72 HG22 THR 72 11.436 -7.924 -2.439 423 HG23 THR 72 HG23 THR 72 10.408 -8.644 -1.199 424 H TRP 73 H TRP 73 6.780 -8.714 -1.710 425 HA TRP 73 HA TRP 73 5.747 -7.364 -4.111 426 HB2 TRP 73 HB2 TRP 73 4.419 -8.105 -1.499 427 HB3 TRP 73 HB3 TRP 73 3.640 -7.139 -2.745 428 HD1 TRP 73 HD TRP 73 5.521 -9.510 -4.668 429 HE1 TRP 73 HE1 TRP 73 4.122 -11.568 -5.321 430 HE3 TRP 73 HE3 TRP 73 1.637 -8.908 -1.414 431 HZ2 TRP 73 HZ2 TRP 73 1.707 -12.773 -4.554 432 HZ3 TRP 73 HZ3 TRP 73 -0.181 -10.563 -1.441 433 HH2 TRP 73 HH TRP 73 -0.143 -12.451 -2.979 434 H PHE 74 H PHE 74 5.455 -5.161 -4.175 435 HA PHE 74 HA PHE 74 6.554 -3.677 -1.872 436 HB2 PHE 74 HB2 PHE 74 6.635 -2.732 -4.737 437 HB3 PHE 74 HB3 PHE 74 7.520 -2.083 -3.358 438 HD1 PHE 74 HD2 PHE 74 9.132 -3.832 -2.179 439 HD2 PHE 74 HD1 PHE 74 7.735 -4.126 -6.191 440 HE1 PHE 74 HE2 PHE 74 11.022 -5.313 -2.731 441 HE2 PHE 74 HE1 PHE 74 9.622 -5.602 -6.745 442 HZ PHE 74 HZ PHE 74 11.271 -6.195 -5.014 443 H TYR 75 H TYR 75 5.165 -2.421 -0.875 444 HA TYR 75 HA TYR 75 2.944 -1.211 -2.381 445 HB2 TYR 75 HB2 TYR 75 2.762 -2.507 0.338 446 HB3 TYR 75 HB3 TYR 75 1.462 -1.650 -0.453 447 HD1 TYR 75 HD1 TYR 75 0.883 -2.566 -2.879 448 HD2 TYR 75 HD2 TYR 75 2.810 -4.766 0.202 449 HE1 TYR 75 HE1 TYR 75 0.165 -4.659 -3.947 450 HE2 TYR 75 HE2 TYR 75 2.102 -6.880 -0.860 451 HH TYR 75 HH TYR 75 0.322 -7.654 -2.395 452 H VAL 76 H VAL 76 1.809 0.457 -0.714 453 HA VAL 76 HA VAL 76 4.051 2.106 0.273 454 HB VAL 76 HB VAL 76 1.604 3.309 -1.000 455 HG11 VAL 76 HG11 VAL 76 3.024 4.797 0.270 456 HG12 VAL 76 HG12 VAL 76 3.142 5.173 -1.449 457 HG13 VAL 76 HG13 VAL 76 4.437 4.278 -0.651 458 HG21 VAL 76 HG21 VAL 76 2.474 1.796 -2.684 459 HG22 VAL 76 HG22 VAL 76 4.098 2.444 -2.460 460 HG23 VAL 76 HG23 VAL 76 2.829 3.466 -3.132 461 H PHE 77 H PHE 77 3.164 3.952 1.715 462 HA PHE 77 HA PHE 77 1.257 2.724 3.569 463 HB2 PHE 77 HB2 PHE 77 3.726 4.039 3.968 464 HB3 PHE 77 HB3 PHE 77 2.482 5.101 4.620 465 HD1 PHE 77 HD2 PHE 77 2.412 1.429 4.488 466 HD2 PHE 77 HD1 PHE 77 2.845 4.875 6.934 467 HE1 PHE 77 HE2 PHE 77 2.254 0.017 6.488 468 HE2 PHE 77 HE1 PHE 77 2.692 3.470 8.952 469 HZ PHE 77 HZ PHE 77 2.398 1.033 8.729 470 H ARG 78 H ARG 78 -0.170 4.308 4.773 471 HA ARG 78 HA ARG 78 -1.795 5.556 2.795 472 HB2 ARG 78 HB2 ARG 78 -2.532 4.515 5.067 473 HB3 ARG 78 HB1 ARG 78 -2.146 6.096 5.730 474 HG2 ARG 78 HG2 ARG 78 -3.704 7.132 4.171 475 HG3 ARG 78 HG1 ARG 78 -4.093 5.548 3.509 476 HD2 ARG 78 HD2 ARG 78 -4.834 4.899 5.832 477 HD3 ARG 78 HD1 ARG 78 -4.688 6.608 6.260 478 HE ARG 78 HE ARG 78 -6.354 5.853 3.963 479 HH11 ARG 78 HH11 ARG 78 -6.143 7.114 7.228 480 HH12 ARG 78 HH12 ARG 78 -7.766 7.719 7.220 481 HH21 ARG 78 HH21 ARG 78 -8.459 6.638 3.948 482 HH22 ARG 78 HH22 ARG 78 -9.097 7.432 5.366 483 H GLN 79 H GLN 79 -2.480 7.765 2.744 484 HA GLN 79 HA GLN 79 -0.788 9.794 2.512 485 HB2 GLN 79 HB2 GLN 79 -3.288 9.705 2.161 486 HB3 GLN 79 HB3 GLN 79 -3.441 10.149 3.849 487 HG2 GLN 79 HG2 GLN 79 -2.464 12.261 3.485 488 HG3 GLN 79 HG3 GLN 79 -1.914 11.802 1.871 489 HE21 GLN 79 HE21 GLN 79 -4.642 12.753 3.815 490 HE22 GLN 79 HE22 GLN 79 -5.718 13.073 2.497 491 H GLN 80 H GLN 80 0.873 10.158 3.835 492 HA GLN 80 HA GLN 80 0.341 10.895 6.613 493 HB2 GLN 80 HB2 GLN 80 2.632 9.888 7.051 494 HB3 GLN 80 HB3 GLN 80 1.339 8.755 6.709 495 HG2 GLN 80 HG2 GLN 80 3.125 7.944 5.487 496 HG3 GLN 80 HG3 GLN 80 2.176 8.819 4.295 497 HE21 GLN 80 HE21 GLN 80 3.766 9.328 2.910 498 HE22 GLN 80 HE22 GLN 80 5.090 10.376 3.292 499 HA PRO 81 HA PRO 81 2.058 14.788 5.976 500 HB2 PRO 81 HB2 PRO 81 3.784 14.376 8.341 501 HB3 PRO 81 HB3 PRO 81 2.581 15.630 8.033 502 HG2 PRO 81 HG2 PRO 81 2.084 13.623 9.720 503 HG3 PRO 81 HG3 PRO 81 0.817 14.286 8.671 504 HD2 PRO 81 HD2 PRO 81 2.340 11.737 8.422 505 HD3 PRO 81 HD3 PRO 81 0.656 12.095 8.008 506 H GLY 82 H GLY 82 4.400 12.287 6.393 507 HA2 GLY 82 HA3 GLY 82 6.573 12.040 5.638 508 HA3 GLY 82 HA2 GLY 82 6.160 13.242 4.424 509 H HIS 83 H HIS 83 6.839 13.112 7.921 510 HA HIS 83 HA HIS 83 7.838 15.843 7.802 511 HB2 HIS 83 HB2 HIS 83 7.827 15.801 10.221 512 HB3 HIS 83 HB1 HIS 83 6.302 15.170 9.618 513 HD1 HIS 83 HD1 HIS 83 6.890 14.496 12.426 514 HD2 HIS 83 HD2 HIS 83 8.303 12.147 9.298 515 HE1 HIS 83 HE1 HIS 83 7.381 12.246 13.432 516 HE2 HIS 83 HE2 HIS 83 8.469 10.936 11.576 517 H GLU 84 H GLU 84 9.477 13.995 6.452 518 HA GLU 84 HA GLU 84 11.958 14.332 7.941 519 HB2 GLU 84 HB2 GLU 84 10.883 12.027 8.434 520 HB3 GLU 84 HB3 GLU 84 11.317 11.628 6.775 521 HG2 GLU 84 HG2 GLU 84 13.678 12.534 7.640 522 HG3 GLU 84 HG3 GLU 84 13.016 11.951 9.167 523 H GLY 85 H GLY 85 13.820 13.314 6.410 524 HA2 GLY 85 HA3 GLY 85 13.774 14.558 3.881 525 HA3 GLY 85 HA2 GLY 85 14.888 13.282 4.373 526 H VAL 86 H VAL 86 13.290 11.168 4.828 527 HA VAL 86 HA VAL 86 11.936 10.628 2.303 528 HB VAL 86 HB VAL 86 12.368 8.855 4.698 529 HG11 VAL 86 HG11 VAL 86 11.229 8.155 2.001 530 HG12 VAL 86 HG12 VAL 86 10.297 8.328 3.488 531 HG13 VAL 86 HG13 VAL 86 11.501 7.041 3.343 532 HG21 VAL 86 HG21 VAL 86 13.666 8.838 1.979 533 HG22 VAL 86 HG22 VAL 86 13.943 7.651 3.256 534 HG23 VAL 86 HG23 VAL 86 14.432 9.331 3.491 535 H THR 87 H THR 87 9.781 10.174 2.189 536 HA THR 87 HA THR 87 8.222 11.285 4.373 537 HB THR 87 HB THR 87 7.875 12.608 2.450 538 HG1 THR 87 HG1 THR 87 5.725 12.517 2.354 539 HG21 THR 87 HG21 THR 87 7.338 10.085 0.882 540 HG22 THR 87 HG22 THR 87 8.783 11.089 0.766 541 HG23 THR 87 HG23 THR 87 7.220 11.733 0.262 542 H GLN 88 H GLN 88 7.849 8.772 1.845 543 HA GLN 88 HA GLN 88 5.657 7.620 3.279 544 HB2 GLN 88 HB2 GLN 88 7.049 7.089 0.687 545 HB3 GLN 88 HB3 GLN 88 5.877 5.959 1.326 546 HG2 GLN 88 HG2 GLN 88 5.139 8.805 1.113 547 HG3 GLN 88 HG3 GLN 88 5.161 7.828 -0.338 548 HE21 GLN 88 HE21 GLN 88 4.279 6.667 2.814 549 HE22 GLN 88 HE22 GLN 88 2.619 6.386 2.444 550 H GLN 89 H GLN 89 5.534 5.292 3.546 551 HA GLN 89 HA GLN 89 8.065 3.998 4.164 552 HB2 GLN 89 HB2 GLN 89 7.136 4.482 6.289 553 HB3 GLN 89 HB3 GLN 89 5.509 4.078 5.757 554 HG2 GLN 89 HG2 GLN 89 6.081 1.759 5.639 555 HG3 GLN 89 HG3 GLN 89 7.756 2.106 6.063 556 HE21 GLN 89 HE21 GLN 89 6.967 4.152 8.013 557 HE22 GLN 89 HE22 GLN 89 6.384 3.291 9.394 558 H THR 90 H THR 90 8.335 2.224 2.981 559 HA THR 90 HA THR 90 6.135 1.276 1.348 560 HB THR 90 HB THR 90 8.094 -0.175 0.427 561 HG1 THR 90 HG1 THR 90 9.349 0.832 2.403 562 HG21 THR 90 HG21 THR 90 8.950 2.157 -0.604 563 HG22 THR 90 HG22 THR 90 7.379 2.642 0.026 564 HG23 THR 90 HG23 THR 90 7.499 1.317 -1.140 565 H LEU 91 H LEU 91 5.253 -0.705 1.414 566 HA LEU 91 HA LEU 91 6.097 -2.510 3.568 567 HB2 LEU 91 HB2 LEU 91 3.670 -1.878 3.365 568 HB3 LEU 91 HB3 LEU 91 3.645 -2.707 1.825 569 HG LEU 91 HG LEU 91 4.503 -4.747 3.160 570 HD11 LEU 91 HD11 LEU 91 3.465 -4.677 5.486 571 HD12 LEU 91 HD12 LEU 91 3.512 -2.914 5.310 572 HD13 LEU 91 HD13 LEU 91 5.009 -3.851 5.244 573 HD21 LEU 91 HD21 LEU 91 2.236 -5.432 3.749 574 HD22 LEU 91 HD22 LEU 91 2.330 -4.729 2.124 575 HD23 LEU 91 HD23 LEU 91 1.671 -3.779 3.460 576 H THR 92 H THR 92 7.458 -4.062 3.023 577 HA THR 92 HA THR 92 7.381 -5.092 0.266 578 HB THR 92 HB THR 92 9.681 -5.148 2.234 579 HG1 THR 92 HG1 THR 92 8.806 -3.227 0.610 580 HG21 THR 92 HG21 THR 92 9.656 -7.060 0.676 581 HG22 THR 92 HG22 THR 92 11.001 -5.967 0.361 582 HG23 THR 92 HG23 THR 92 9.579 -5.937 -0.680 583 H LEU 93 H LEU 93 6.240 -6.911 0.234 584 HA LEU 93 HA LEU 93 6.060 -8.464 2.678 585 HB2 LEU 93 HB2 LEU 93 4.139 -7.804 0.953 586 HB3 LEU 93 HB3 LEU 93 4.637 -9.324 0.225 587 HG LEU 93 HG LEU 93 4.287 -10.406 2.424 588 HD11 LEU 93 HD11 LEU 93 2.653 -8.795 3.805 589 HD12 LEU 93 HD12 LEU 93 3.765 -7.606 3.138 590 HD13 LEU 93 HD13 LEU 93 4.376 -8.938 4.119 591 HD21 LEU 93 HD21 LEU 93 1.787 -9.014 1.684 592 HD22 LEU 93 HD22 LEU 93 2.041 -10.698 2.124 593 HD23 LEU 93 HD23 LEU 93 2.548 -10.105 0.536 594 H THR 94 H THR 94 7.143 -10.264 3.056 595 HA THR 94 HA THR 94 8.721 -11.389 0.885 596 HB THR 94 HB THR 94 9.108 -11.277 3.870 597 HG1 THR 94 HG1 THR 94 9.785 -9.578 2.172 598 HG21 THR 94 HG21 THR 94 9.665 -13.490 3.059 599 HG22 THR 94 HG22 THR 94 11.100 -12.610 3.588 600 HG23 THR 94 HG23 THR 94 10.756 -12.792 1.864 601 H PHE 95 H PHE 95 8.219 -13.339 0.179 602 HA PHE 95 HA PHE 95 6.547 -15.098 1.847 603 HB2 PHE 95 HB2 PHE 95 6.656 -14.742 -1.141 604 HB3 PHE 95 HB3 PHE 95 5.891 -16.131 -0.384 605 HD1 PHE 95 HD2 PHE 95 3.934 -15.827 1.026 606 HD2 PHE 95 HD1 PHE 95 5.587 -12.615 -1.197 607 HE1 PHE 95 HE2 PHE 95 1.839 -14.586 1.302 608 HE2 PHE 95 HE1 PHE 95 3.489 -11.355 -0.930 609 HZ PHE 95 HZ PHE 95 1.617 -12.354 0.325 610 H ASN 96 H ASN 96 7.129 -17.177 2.128 611 HA ASN 96 HA ASN 96 9.828 -17.935 1.527 612 HB2 ASN 96 HB2 ASN 96 9.230 -20.096 2.609 613 HB3 ASN 96 HB3 ASN 96 8.894 -18.691 3.606 614 HD21 ASN 96 HD21 ASN 96 7.454 -19.805 4.851 615 HD22 ASN 96 HD22 ASN 96 5.874 -20.224 4.290 616 H SER 97 H SER 97 9.879 -20.512 0.843 617 HA SER 97 HA SER 97 9.647 -20.452 -1.922 618 HB2 SER 97 HB2 SER 97 9.788 -22.885 -0.131 619 HB3 SER 97 HB3 SER 97 10.208 -22.825 -1.845 620 HG SER 97 HG SER 97 11.729 -21.069 -1.100 621 H SER 98 H SER 98 7.300 -21.578 0.487 622 HA SER 98 HA SER 98 5.747 -23.033 -1.447 623 HB2 SER 98 HB2 SER 98 5.833 -23.683 0.947 624 HB3 SER 98 HB3 SER 98 5.017 -22.179 1.367 625 HG SER 98 HG SER 98 4.013 -24.391 -0.081 626 H GLY 99 H GLY 99 5.978 -19.767 -0.471 627 HA2 GLY 99 HA3 GLY 99 4.852 -17.994 -1.588 628 HA3 GLY 99 HA2 GLY 99 3.560 -19.115 -2.006 629 H VAL 100 H VAL 100 4.913 -19.019 1.155 630 HA VAL 100 HA VAL 100 2.352 -18.040 2.220 631 HB VAL 100 HB VAL 100 4.469 -19.499 3.782 632 HG11 VAL 100 HG11 VAL 100 2.573 -18.237 4.882 633 HG12 VAL 100 HG12 VAL 100 2.743 -19.934 5.332 634 HG13 VAL 100 HG13 VAL 100 1.488 -19.445 4.191 635 HG21 VAL 100 HG21 VAL 100 2.269 -20.678 2.100 636 HG22 VAL 100 HG22 VAL 100 3.118 -21.568 3.366 637 HG23 VAL 100 HG23 VAL 100 4.007 -20.968 1.959 638 H LEU 101 H LEU 101 2.331 -16.327 3.650 639 HA LEU 101 HA LEU 101 4.385 -14.446 3.580 640 HB2 LEU 101 HB2 LEU 101 1.825 -14.778 4.934 641 HB3 LEU 101 HB3 LEU 101 2.991 -13.849 5.858 642 HG LEU 101 HG LEU 101 2.019 -13.261 3.082 643 HD11 LEU 101 HD11 LEU 101 1.749 -11.752 5.660 644 HD12 LEU 101 HD12 LEU 101 0.473 -12.698 4.899 645 HD13 LEU 101 HD13 LEU 101 1.103 -11.258 4.097 646 HD21 LEU 101 HD21 LEU 101 4.027 -11.770 4.727 647 HD22 LEU 101 HD22 LEU 101 3.432 -11.311 3.135 648 HD23 LEU 101 HD23 LEU 101 4.410 -12.774 3.333 649 H THR 102 H THR 102 6.218 -14.350 4.533 650 HA THR 102 HA THR 102 6.637 -15.841 7.035 651 HB THR 102 HB THR 102 8.957 -15.965 6.521 652 HG1 THR 102 HG1 THR 102 9.940 -14.563 5.220 653 HG21 THR 102 HG21 THR 102 7.289 -17.335 5.139 654 HG22 THR 102 HG22 THR 102 8.950 -17.224 4.548 655 HG23 THR 102 HG23 THR 102 7.683 -16.226 3.827 656 H ASN 103 H ASN 103 7.207 -12.754 5.409 657 HA ASN 103 HA ASN 103 7.171 -11.461 8.034 658 HB2 ASN 103 HB2 ASN 103 9.563 -12.041 7.491 659 HB3 ASN 103 HB3 ASN 103 9.436 -10.937 6.125 660 HD21 ASN 103 HD21 ASN 103 9.577 -8.771 6.459 661 HD22 ASN 103 HD22 ASN 103 9.878 -8.058 8.003 662 H ILE 104 H ILE 104 6.558 -9.373 8.038 663 HA ILE 104 HA ILE 104 5.669 -8.201 5.480 664 HB ILE 104 HB ILE 104 4.899 -7.066 8.146 665 HG12 ILE 104 HG12 ILE 104 4.389 -9.507 8.286 666 HG13 ILE 104 HG13 ILE 104 2.971 -8.477 8.392 667 HG21 ILE 104 HG21 ILE 104 3.533 -7.150 5.453 668 HG22 ILE 104 HG22 ILE 104 4.310 -5.774 6.227 669 HG23 ILE 104 HG23 ILE 104 2.834 -6.452 6.913 670 HD11 ILE 104 HD11 ILE 104 2.634 -8.959 5.926 671 HD12 ILE 104 HD12 ILE 104 2.350 -10.285 7.059 672 HD13 ILE 104 HD13 ILE 104 3.849 -10.227 6.124 673 H ASP 105 H ASP 105 7.546 -7.124 4.816 674 HA ASP 105 HA ASP 105 9.212 -5.834 6.820 675 HB2 ASP 105 HB2 ASP 105 10.052 -7.219 4.843 676 HB3 ASP 105 HB3 ASP 105 9.655 -5.835 3.840 677 H ASN 106 H ASN 106 8.257 -3.961 7.490 678 HA ASN 106 HA ASN 106 7.534 -2.047 5.410 679 HB2 ASN 106 HB2 ASN 106 6.303 -0.867 7.262 680 HB3 ASN 106 HB3 ASN 106 5.646 -2.413 6.776 681 HD21 ASN 106 HD21 ASN 106 5.888 -4.197 8.181 682 HD22 ASN 106 HD22 ASN 106 6.202 -3.966 9.861 683 H LYS 107 H LYS 107 9.143 -0.842 4.930 684 HA LYS 107 HA LYS 107 10.679 0.466 7.060 685 HB2 LYS 107 HB2 LYS 107 12.756 -0.017 6.054 686 HB3 LYS 107 HB1 LYS 107 11.880 -1.528 5.959 687 HG2 LYS 107 HG2 LYS 107 11.979 0.425 3.716 688 HG3 LYS 107 HG1 LYS 107 13.169 -0.861 3.911 689 HD2 LYS 107 HD2 LYS 107 11.337 -2.514 3.830 690 HD3 LYS 107 HD1 LYS 107 10.189 -1.199 3.562 691 HE2 LYS 107 HE2 LYS 107 10.746 -2.245 1.453 692 HE3 LYS 107 HE1 LYS 107 11.381 -0.602 1.498 693 HZ1 LYS 107 HZ1 LYS 107 13.563 -1.440 1.923 694 HZ2 LYS 107 HZ2 LYS 107 12.941 -2.253 0.573 695 HZ3 LYS 107 HZ3 LYS 107 12.989 -3.030 2.080 696 HA PRO 108 HA PRO 108 10.002 4.181 4.929 697 HB2 PRO 108 HB2 PRO 108 12.436 5.388 4.579 698 HB3 PRO 108 HB3 PRO 108 11.572 5.326 6.113 699 HG2 PRO 108 HG2 PRO 108 13.878 3.713 5.166 700 HG3 PRO 108 HG3 PRO 108 13.492 4.278 6.800 701 HD2 PRO 108 HD2 PRO 108 13.097 1.717 5.912 702 HD3 PRO 108 HD3 PRO 108 12.195 2.451 7.240 703 H ALA 109 H ALA 109 9.873 5.227 2.998 704 HA ALA 109 HA ALA 109 10.519 3.641 0.669 705 HB1 ALA 109 HB1 ALA 109 9.139 6.291 0.863 706 HB2 ALA 109 HB2 ALA 109 8.343 4.716 0.978 707 HB3 ALA 109 HB3 ALA 109 9.149 5.193 -0.518 708 H LEU 110 H LEU 110 10.788 5.284 -1.261 709 HA LEU 110 HA LEU 110 13.337 6.463 -1.250 710 HB2 LEU 110 HB2 LEU 110 11.022 7.208 -3.035 711 HB3 LEU 110 HB3 LEU 110 12.735 7.281 -3.412 712 HG LEU 110 HG LEU 110 11.240 4.708 -2.920 713 HD11 LEU 110 HD11 LEU 110 11.481 4.439 -5.409 714 HD12 LEU 110 HD12 LEU 110 11.844 6.165 -5.481 715 HD13 LEU 110 HD13 LEU 110 10.279 5.615 -4.876 716 HD21 LEU 110 HD21 LEU 110 13.580 4.447 -2.526 717 HD22 LEU 110 HD22 LEU 110 13.982 5.324 -4.006 718 HD23 LEU 110 HD23 LEU 110 13.206 3.741 -4.102 719 H SER 111 H SER 111 13.693 8.791 -1.592 720 HA SER 111 HA SER 111 12.609 10.295 0.537 721 HB2 SER 111 HB2 SER 111 14.339 11.312 -1.714 722 HB3 SER 111 HB3 SER 111 14.225 11.934 -0.074 723 HG SER 111 HG SER 111 15.737 10.587 0.463 724 H GLY 112 H GLY 112 11.412 9.623 -2.393 725 HA2 GLY 112 HA3 GLY 112 9.372 11.634 -2.213 726 HA3 GLY 112 HA2 GLY 112 10.422 11.838 -3.614 727 H ASN 113 H ASN 113 8.941 11.294 -5.190 728 HA ASN 113 HA ASN 113 8.517 8.445 -5.470 729 HB2 ASN 113 HB2 ASN 113 6.122 8.603 -5.903 730 HB3 ASN 113 HB3 ASN 113 6.476 9.189 -4.285 731 HD21 ASN 113 HD21 ASN 113 4.152 9.707 -5.830 732 HD22 ASN 113 HD22 ASN 113 4.054 11.420 -6.059 Start of MODEL 2 1 H1 GLY 17 H1 GLY 17 -14.258 32.809 15.452 2 H2 GLY 17 H2 GLY 17 -13.447 32.107 14.134 3 H3 GLY 17 H3 GLY 17 -15.073 31.739 14.422 4 HA2 GLY 17 HA2 GLY 17 -15.713 34.019 13.960 5 HA3 GLY 17 HA3 GLY 17 -14.023 34.413 13.675 6 H SER 18 H SER 18 -16.876 32.897 12.432 7 HA SER 18 HA SER 18 -17.479 32.126 10.384 8 HB2 SER 18 HB2 SER 18 -15.220 33.913 9.443 9 HB3 SER 18 HB3 SER 18 -16.525 33.287 8.437 10 HG SER 18 HG SER 18 -17.401 35.135 8.980 11 H HIS 19 H HIS 19 -16.553 30.035 11.244 12 HA HIS 19 HA HIS 19 -14.001 29.117 10.520 13 HB2 HIS 19 HB2 HIS 19 -15.506 27.998 12.179 14 HB3 HIS 19 HB1 HIS 19 -16.482 27.415 10.834 15 HD1 HIS 19 HD1 HIS 19 -15.702 25.311 9.662 16 HD2 HIS 19 HD2 HIS 19 -12.861 26.864 12.282 17 HE1 HIS 19 HE1 HIS 19 -13.889 23.574 9.818 18 HE2 HIS 19 HE2 HIS 19 -12.111 24.601 11.278 19 H MET 20 H MET 20 -13.188 28.910 8.603 20 HA MET 20 HA MET 20 -12.873 28.421 6.418 21 HB2 MET 20 HB2 MET 20 -14.200 26.335 7.004 22 HB3 MET 20 HB3 MET 20 -15.606 27.152 6.336 23 HG2 MET 20 HG2 MET 20 -14.556 27.291 4.176 24 HG3 MET 20 HG3 MET 20 -13.065 26.608 4.822 25 HE1 MET 20 HE1 MET 20 -14.185 23.659 2.609 26 HE2 MET 20 HE2 MET 20 -12.861 24.720 3.091 27 HE3 MET 20 HE3 MET 20 -14.257 25.384 2.242 28 H SER 21 H SER 21 -15.777 29.959 7.444 29 HA SER 21 HA SER 21 -16.747 31.898 6.831 30 HB2 SER 21 HB2 SER 21 -14.545 32.120 4.773 31 HB3 SER 21 HB3 SER 21 -15.614 33.421 5.296 32 HG SER 21 HG SER 21 -14.332 32.126 7.356 33 H THR 22 H THR 22 -15.606 30.462 3.775 34 HA THR 22 HA THR 22 -18.396 30.522 2.852 35 HB THR 22 HB THR 22 -17.226 32.095 1.512 36 HG1 THR 22 HG1 THR 22 -16.909 30.428 -0.486 37 HG21 THR 22 HG21 THR 22 -14.936 31.478 2.055 38 HG22 THR 22 HG22 THR 22 -15.150 31.568 0.306 39 HG23 THR 22 HG23 THR 22 -15.092 29.997 1.107 40 H LEU 23 H LEU 23 -19.254 28.668 2.165 41 HA LEU 23 HA LEU 23 -17.544 26.284 2.190 42 HB2 LEU 23 HB2 LEU 23 -20.554 26.533 2.262 43 HB3 LEU 23 HB3 LEU 23 -19.655 25.032 2.372 44 HG LEU 23 HG LEU 23 -19.557 27.274 4.395 45 HD11 LEU 23 HD11 LEU 23 -21.696 26.132 4.439 46 HD12 LEU 23 HD12 LEU 23 -20.739 25.691 5.853 47 HD13 LEU 23 HD13 LEU 23 -20.882 24.568 4.500 48 HD21 LEU 23 HD21 LEU 23 -17.450 26.073 4.279 49 HD22 LEU 23 HD22 LEU 23 -18.299 24.534 4.411 50 HD23 LEU 23 HD23 LEU 23 -18.308 25.664 5.765 51 H GLU 24 H GLU 24 -16.639 26.535 0.127 52 HA GLU 24 HA GLU 24 -18.471 26.495 -2.160 53 HB2 GLU 24 HB2 GLU 24 -15.480 26.904 -1.977 54 HB3 GLU 24 HB3 GLU 24 -16.375 26.843 -3.489 55 HG2 GLU 24 HG2 GLU 24 -17.583 28.826 -2.936 56 HG3 GLU 24 HG3 GLU 24 -16.922 28.836 -1.301 57 H ARG 25 H ARG 25 -19.064 24.599 -2.884 58 HA ARG 25 HA ARG 25 -19.131 22.398 -3.415 59 HB2 ARG 25 HB2 ARG 25 -16.185 22.857 -3.926 60 HB3 ARG 25 HB1 ARG 25 -17.065 21.418 -4.418 61 HG2 ARG 25 HG2 ARG 25 -16.962 22.729 -6.341 62 HG3 ARG 25 HG1 ARG 25 -18.589 23.007 -5.718 63 HD2 ARG 25 HD2 ARG 25 -17.713 25.063 -4.600 64 HD3 ARG 25 HD1 ARG 25 -16.188 24.803 -5.442 65 HE ARG 25 HE ARG 25 -18.448 24.887 -7.211 66 HH11 ARG 25 HH11 ARG 25 -16.069 26.791 -5.492 67 HH12 ARG 25 HH12 ARG 25 -16.266 28.194 -6.495 68 HH21 ARG 25 HH21 ARG 25 -18.702 26.723 -8.560 69 HH22 ARG 25 HH22 ARG 25 -17.762 28.153 -8.244 70 H VAL 26 H VAL 26 -19.636 21.932 -1.183 71 HA VAL 26 HA VAL 26 -17.563 21.021 0.584 72 HB VAL 26 HB VAL 26 -19.471 20.262 2.030 73 HG11 VAL 26 HG11 VAL 26 -19.548 23.112 1.039 74 HG12 VAL 26 HG12 VAL 26 -18.484 22.466 2.288 75 HG13 VAL 26 HG13 VAL 26 -20.224 22.541 2.565 76 HG21 VAL 26 HG21 VAL 26 -21.744 20.974 1.421 77 HG22 VAL 26 HG22 VAL 26 -21.111 19.784 0.284 78 HG23 VAL 26 HG23 VAL 26 -21.156 21.490 -0.159 79 H VAL 27 H VAL 27 -16.935 19.594 -1.437 80 HA VAL 27 HA VAL 27 -18.341 17.102 -1.662 81 HB VAL 27 HB VAL 27 -16.952 18.378 -3.465 82 HG11 VAL 27 HG11 VAL 27 -14.874 18.493 -2.214 83 HG12 VAL 27 HG12 VAL 27 -14.659 17.591 -3.715 84 HG13 VAL 27 HG13 VAL 27 -14.787 16.728 -2.179 85 HG21 VAL 27 HG21 VAL 27 -18.104 16.256 -3.845 86 HG22 VAL 27 HG22 VAL 27 -16.712 15.385 -3.205 87 HG23 VAL 27 HG23 VAL 27 -16.559 16.319 -4.691 88 H TYR 28 H TYR 28 -17.003 15.019 -1.463 89 HA TYR 28 HA TYR 28 -16.100 14.648 1.162 90 HB2 TYR 28 HB2 TYR 28 -16.954 12.922 -0.497 91 HB3 TYR 28 HB3 TYR 28 -15.338 12.915 -1.183 92 HD1 TYR 28 HD2 TYR 28 -17.202 12.368 1.974 93 HD2 TYR 28 HD1 TYR 28 -13.667 11.553 -0.245 94 HE1 TYR 28 HE2 TYR 28 -16.535 10.707 3.661 95 HE2 TYR 28 HE1 TYR 28 -12.994 9.882 1.428 96 HH TYR 28 HH TYR 28 -13.425 9.368 3.802 97 H ARG 29 H ARG 29 -14.072 14.520 2.070 98 HA ARG 29 HA ARG 29 -11.845 15.446 0.386 99 HB2 ARG 29 HB2 ARG 29 -12.563 16.387 3.168 100 HB3 ARG 29 HB1 ARG 29 -11.060 16.784 2.345 101 HG2 ARG 29 HG2 ARG 29 -12.238 17.984 0.639 102 HG3 ARG 29 HG1 ARG 29 -13.794 17.459 1.285 103 HD2 ARG 29 HD2 ARG 29 -13.343 18.696 3.352 104 HD3 ARG 29 HD1 ARG 29 -11.794 19.225 2.693 105 HE ARG 29 HE ARG 29 -13.130 20.371 0.926 106 HH11 ARG 29 HH11 ARG 29 -14.577 19.668 4.052 107 HH12 ARG 29 HH12 ARG 29 -15.751 20.950 3.919 108 HH21 ARG 29 HH21 ARG 29 -14.681 22.021 0.759 109 HH22 ARG 29 HH22 ARG 29 -15.828 22.257 2.047 110 HA PRO 30 HA PRO 30 -10.232 11.614 2.257 111 HB2 PRO 30 HB2 PRO 30 -8.274 12.040 0.085 112 HB3 PRO 30 HB3 PRO 30 -9.231 10.613 0.482 113 HG2 PRO 30 HG2 PRO 30 -9.814 12.076 -1.654 114 HG3 PRO 30 HG3 PRO 30 -11.083 11.365 -0.645 115 HD2 PRO 30 HD2 PRO 30 -10.083 14.171 -0.694 116 HD3 PRO 30 HD3 PRO 30 -11.744 13.564 -0.613 117 H ASP 31 H ASP 31 -8.406 11.305 3.553 118 HA ASP 31 HA ASP 31 -6.889 13.756 4.064 119 HB2 ASP 31 HB2 ASP 31 -8.184 13.004 5.961 120 HB3 ASP 31 HB3 ASP 31 -7.463 11.402 5.856 121 H ILE 32 H ILE 32 -6.607 10.502 3.178 122 HA ILE 32 HA ILE 32 -3.995 9.880 3.803 123 HB ILE 32 HB ILE 32 -5.618 9.033 1.433 124 HG12 ILE 32 HG12 ILE 32 -6.456 8.427 3.703 125 HG13 ILE 32 HG13 ILE 32 -6.043 7.038 2.706 126 HG21 ILE 32 HG21 ILE 32 -4.023 7.174 1.263 127 HG22 ILE 32 HG22 ILE 32 -2.988 7.971 2.442 128 HG23 ILE 32 HG23 ILE 32 -3.301 8.735 0.877 129 HD11 ILE 32 HD11 ILE 32 -5.317 6.850 5.048 130 HD12 ILE 32 HD12 ILE 32 -4.233 8.211 4.792 131 HD13 ILE 32 HD13 ILE 32 -4.002 6.715 3.885 132 H ASN 33 H ASN 33 -5.184 11.036 0.787 133 HA ASN 33 HA ASN 33 -4.375 12.578 -0.718 134 HB2 ASN 33 HB2 ASN 33 -2.843 14.002 0.060 135 HB3 ASN 33 HB3 ASN 33 -2.429 12.883 1.352 136 HD21 ASN 33 HD21 ASN 33 -0.596 11.648 1.192 137 HD22 ASN 33 HD22 ASN 33 0.576 11.847 -0.063 138 H GLN 34 H GLN 34 -2.327 9.860 0.214 139 HA GLN 34 HA GLN 34 -1.710 9.357 -2.587 140 HB2 GLN 34 HB2 GLN 34 -0.257 7.551 -1.714 141 HB3 GLN 34 HB3 GLN 34 0.127 9.141 -1.081 142 HG2 GLN 34 HG2 GLN 34 -0.779 8.657 1.026 143 HG3 GLN 34 HG3 GLN 34 -1.591 7.209 0.427 144 HE21 GLN 34 HE21 GLN 34 1.432 8.630 1.363 145 HE22 GLN 34 HE22 GLN 34 2.309 7.145 1.518 146 H GLY 35 H GLY 35 -4.344 9.083 -1.272 147 HA2 GLY 35 HA3 GLY 35 -5.064 6.344 -1.140 148 HA3 GLY 35 HA2 GLY 35 -6.176 7.693 -1.349 149 H ASN 36 H ASN 36 -4.383 5.207 -2.884 150 HA ASN 36 HA ASN 36 -5.945 5.225 -5.252 151 HB2 ASN 36 HB2 ASN 36 -4.546 7.174 -5.806 152 HB3 ASN 36 HB3 ASN 36 -3.094 6.236 -5.488 153 HD21 ASN 36 HD21 ASN 36 -2.299 6.567 -7.496 154 HD22 ASN 36 HD22 ASN 36 -2.949 5.790 -8.895 155 H TYR 37 H TYR 37 -2.860 4.426 -3.782 156 HA TYR 37 HA TYR 37 -3.200 1.656 -4.686 157 HB2 TYR 37 HB2 TYR 37 -0.628 1.627 -4.055 158 HB3 TYR 37 HB3 TYR 37 -1.165 2.206 -5.625 159 HD1 TYR 37 HD2 TYR 37 -0.588 3.571 -2.184 160 HD2 TYR 37 HD1 TYR 37 -0.235 4.163 -6.382 161 HE1 TYR 37 HE2 TYR 37 0.523 5.721 -1.779 162 HE2 TYR 37 HE1 TYR 37 0.885 6.315 -5.988 163 HH TYR 37 HH TYR 37 1.025 8.015 -4.239 164 H LEU 38 H LEU 38 -1.370 0.506 -2.867 165 HA LEU 38 HA LEU 38 -3.078 0.372 -0.576 166 HB2 LEU 38 HB2 LEU 38 -1.803 -1.550 -1.573 167 HB3 LEU 38 HB3 LEU 38 -0.350 -0.867 -0.872 168 HG LEU 38 HG LEU 38 -1.953 -0.977 1.300 169 HD11 LEU 38 HD11 LEU 38 -3.809 -2.033 0.348 170 HD12 LEU 38 HD12 LEU 38 -2.943 -3.335 1.162 171 HD13 LEU 38 HD13 LEU 38 -2.812 -3.137 -0.589 172 HD21 LEU 38 HD21 LEU 38 -0.747 -3.037 1.894 173 HD22 LEU 38 HD22 LEU 38 0.309 -1.797 1.220 174 HD23 LEU 38 HD23 LEU 38 -0.187 -3.166 0.226 175 H THR 39 H THR 39 -2.686 1.054 1.456 176 HA THR 39 HA THR 39 -0.315 2.713 1.935 177 HB THR 39 HB THR 39 -1.616 4.289 3.219 178 HG1 THR 39 HG1 THR 39 -3.865 2.632 2.562 179 HG21 THR 39 HG21 THR 39 -1.606 4.173 0.565 180 HG22 THR 39 HG22 THR 39 -2.466 5.432 1.451 181 HG23 THR 39 HG23 THR 39 -3.348 4.035 0.828 182 H ALA 40 H ALA 40 -0.581 3.305 4.538 183 HA ALA 40 HA ALA 40 0.290 0.946 5.815 184 HB1 ALA 40 HB1 ALA 40 -0.649 3.506 7.094 185 HB2 ALA 40 HB2 ALA 40 0.981 3.200 6.488 186 HB3 ALA 40 HB3 ALA 40 0.354 2.262 7.844 187 H ASN 41 H ASN 41 -2.781 2.619 5.787 188 HA ASN 41 HA ASN 41 -4.079 1.235 7.856 189 HB2 ASN 41 HB2 ASN 41 -5.208 2.522 5.365 190 HB3 ASN 41 HB3 ASN 41 -6.154 2.020 6.745 191 HD21 ASN 41 HD21 ASN 41 -4.086 4.336 5.438 192 HD22 ASN 41 HD22 ASN 41 -4.110 5.448 6.760 193 H ASP 42 H ASP 42 -3.850 0.657 4.416 194 HA ASP 42 HA ASP 42 -5.571 -1.601 4.364 195 HB2 ASP 42 HB2 ASP 42 -3.403 -0.870 2.395 196 HB3 ASP 42 HB3 ASP 42 -4.769 -1.940 2.106 197 H VAL 43 H VAL 43 -2.112 -1.189 4.840 198 HA VAL 43 HA VAL 43 -1.299 -3.852 4.588 199 HB VAL 43 HB VAL 43 -0.229 -1.665 6.373 200 HG11 VAL 43 HG11 VAL 43 1.026 -4.325 5.727 201 HG12 VAL 43 HG12 VAL 43 0.310 -3.893 7.284 202 HG13 VAL 43 HG13 VAL 43 1.743 -3.037 6.703 203 HG21 VAL 43 HG21 VAL 43 1.052 -2.851 3.966 204 HG22 VAL 43 HG22 VAL 43 1.360 -1.288 4.717 205 HG23 VAL 43 HG23 VAL 43 -0.131 -1.555 3.808 206 H SER 44 H SER 44 -2.814 -2.178 7.274 207 HA SER 44 HA SER 44 -2.452 -4.113 9.263 208 HB2 SER 44 HB2 SER 44 -3.191 -1.816 9.669 209 HB3 SER 44 HB3 SER 44 -4.752 -2.185 8.946 210 HG SER 44 HG SER 44 -4.277 -4.033 10.771 211 H LYS 45 H LYS 45 -4.396 -4.167 6.477 212 HA LYS 45 HA LYS 45 -6.483 -5.863 7.423 213 HB2 LYS 45 HB2 LYS 45 -5.547 -5.286 4.629 214 HB3 LYS 45 HB1 LYS 45 -7.025 -6.145 5.041 215 HG2 LYS 45 HG2 LYS 45 -7.919 -4.179 6.113 216 HG3 LYS 45 HG1 LYS 45 -6.406 -3.310 5.847 217 HD2 LYS 45 HD2 LYS 45 -8.055 -2.661 4.188 218 HD3 LYS 45 HD1 LYS 45 -6.733 -3.544 3.417 219 HE2 LYS 45 HE2 LYS 45 -8.169 -5.615 3.702 220 HE3 LYS 45 HE1 LYS 45 -9.496 -4.515 4.075 221 HZ1 LYS 45 HZ1 LYS 45 -7.971 -4.690 1.535 222 HZ2 LYS 45 HZ2 LYS 45 -9.020 -3.412 1.898 223 HZ3 LYS 45 HZ3 LYS 45 -9.622 -4.993 1.774 224 H ILE 46 H ILE 46 -3.248 -6.431 6.250 225 HA ILE 46 HA ILE 46 -3.839 -9.261 5.953 226 HB ILE 46 HB ILE 46 -1.571 -9.487 5.047 227 HG12 ILE 46 HG12 ILE 46 -1.460 -6.473 4.977 228 HG13 ILE 46 HG13 ILE 46 -0.631 -7.443 6.191 229 HG21 ILE 46 HG21 ILE 46 -2.065 -8.488 2.898 230 HG22 ILE 46 HG22 ILE 46 -3.297 -7.474 3.650 231 HG23 ILE 46 HG23 ILE 46 -3.493 -9.227 3.620 232 HD11 ILE 46 HD11 ILE 46 -0.205 -7.971 3.282 233 HD12 ILE 46 HD12 ILE 46 0.853 -8.327 4.660 234 HD13 ILE 46 HD13 ILE 46 0.663 -6.659 4.106 235 H ARG 47 H ARG 47 -1.852 -10.620 6.541 236 HA ARG 47 HA ARG 47 -0.484 -9.987 8.959 237 HB2 ARG 47 HB2 ARG 47 -1.593 -11.606 10.415 238 HB3 ARG 47 HB1 ARG 47 -2.747 -10.393 9.884 239 HG2 ARG 47 HG2 ARG 47 -2.503 -12.995 8.430 240 HG3 ARG 47 HG1 ARG 47 -3.450 -12.875 9.917 241 HD2 ARG 47 HD2 ARG 47 -3.854 -11.208 7.427 242 HD3 ARG 47 HD1 ARG 47 -4.832 -12.600 7.900 243 HE ARG 47 HE ARG 47 -4.723 -10.560 9.919 244 HH11 ARG 47 HH11 ARG 47 -6.359 -11.679 7.048 245 HH12 ARG 47 HH12 ARG 47 -7.802 -10.757 7.334 246 HH21 ARG 47 HH21 ARG 47 -6.623 -9.329 10.330 247 HH22 ARG 47 HH22 ARG 47 -7.953 -9.410 9.203 248 H VAL 48 H VAL 48 0.972 -11.611 9.542 249 HA VAL 48 HA VAL 48 1.908 -13.115 7.309 250 HB VAL 48 HB VAL 48 2.965 -13.661 10.010 251 HG11 VAL 48 HG11 VAL 48 4.230 -12.969 7.367 252 HG12 VAL 48 HG12 VAL 48 4.016 -14.597 8.023 253 HG13 VAL 48 HG13 VAL 48 5.102 -13.461 8.823 254 HG21 VAL 48 HG21 VAL 48 3.120 -10.985 8.674 255 HG22 VAL 48 HG22 VAL 48 4.255 -11.504 9.921 256 HG23 VAL 48 HG23 VAL 48 2.536 -11.342 10.298 257 H GLY 49 H GLY 49 1.932 -15.355 7.067 258 HA2 GLY 49 HA3 GLY 49 1.520 -17.547 8.133 259 HA3 GLY 49 HA2 GLY 49 0.134 -16.799 8.912 260 H MET 50 H MET 50 -0.429 -15.319 6.311 261 HA MET 50 HA MET 50 -1.768 -17.566 5.023 262 HB2 MET 50 HB2 MET 50 -2.997 -15.799 3.711 263 HB3 MET 50 HB3 MET 50 -3.360 -15.894 5.422 264 HG2 MET 50 HG2 MET 50 -2.003 -13.932 5.824 265 HG3 MET 50 HG3 MET 50 -1.533 -13.894 4.131 266 HE1 MET 50 HE1 MET 50 -3.584 -10.876 3.803 267 HE2 MET 50 HE2 MET 50 -2.060 -11.537 4.418 268 HE3 MET 50 HE3 MET 50 -3.349 -11.106 5.540 269 H THR 51 H THR 51 -2.115 -16.946 2.512 270 HA THR 51 HA THR 51 0.571 -17.450 1.526 271 HB THR 51 HB THR 51 -0.474 -18.380 -0.428 272 HG1 THR 51 HG1 THR 51 -3.038 -18.329 0.026 273 HG21 THR 51 HG21 THR 51 -1.777 -19.108 2.154 274 HG22 THR 51 HG22 THR 51 -0.426 -19.914 1.350 275 HG23 THR 51 HG23 THR 51 -2.053 -20.008 0.667 276 H GLN 52 H GLN 52 0.706 -16.810 -0.950 277 HA GLN 52 HA GLN 52 0.738 -14.028 -1.232 278 HB2 GLN 52 HB2 GLN 52 0.764 -16.271 -3.240 279 HB3 GLN 52 HB3 GLN 52 0.885 -14.585 -3.699 280 HG2 GLN 52 HG2 GLN 52 2.924 -14.362 -2.379 281 HG3 GLN 52 HG3 GLN 52 2.798 -16.056 -1.910 282 HE21 GLN 52 HE21 GLN 52 4.819 -16.490 -2.831 283 HE22 GLN 52 HE22 GLN 52 5.035 -16.600 -4.540 284 H GLN 53 H GLN 53 -1.641 -16.480 -2.246 285 HA GLN 53 HA GLN 53 -3.143 -14.654 -3.829 286 HB2 GLN 53 HB2 GLN 53 -4.890 -16.361 -3.843 287 HB3 GLN 53 HB3 GLN 53 -3.327 -17.048 -4.210 288 HG2 GLN 53 HG2 GLN 53 -3.212 -18.130 -2.185 289 HG3 GLN 53 HG3 GLN 53 -4.450 -17.120 -1.451 290 HE21 GLN 53 HE21 GLN 53 -6.597 -17.528 -1.867 291 HE22 GLN 53 HE22 GLN 53 -7.133 -19.030 -2.561 292 H GLN 54 H GLN 54 -3.272 -15.715 -0.528 293 HA GLN 54 HA GLN 54 -5.667 -14.513 0.255 294 HB2 GLN 54 HB2 GLN 54 -3.150 -14.766 1.900 295 HB3 GLN 54 HB3 GLN 54 -4.777 -14.554 2.520 296 HG2 GLN 54 HG2 GLN 54 -4.484 -16.882 0.801 297 HG3 GLN 54 HG3 GLN 54 -3.459 -16.923 2.231 298 HE21 GLN 54 HE21 GLN 54 -4.494 -18.484 3.303 299 HE22 GLN 54 HE22 GLN 54 -6.112 -18.338 3.921 300 H VAL 55 H VAL 55 -2.337 -13.240 0.324 301 HA VAL 55 HA VAL 55 -3.060 -10.761 1.460 302 HB VAL 55 HB VAL 55 -0.583 -11.615 -0.023 303 HG11 VAL 55 HG11 VAL 55 -0.992 -9.093 1.567 304 HG12 VAL 55 HG12 VAL 55 -1.002 -9.163 -0.195 305 HG13 VAL 55 HG13 VAL 55 0.467 -9.581 0.697 306 HG21 VAL 55 HG21 VAL 55 -0.863 -10.969 2.873 307 HG22 VAL 55 HG22 VAL 55 0.365 -11.950 2.066 308 HG23 VAL 55 HG23 VAL 55 -1.280 -12.575 2.256 309 H ALA 56 H ALA 56 -2.434 -11.728 -1.921 310 HA ALA 56 HA ALA 56 -2.658 -9.096 -2.933 311 HB1 ALA 56 HB1 ALA 56 -3.288 -11.605 -4.473 312 HB2 ALA 56 HB2 ALA 56 -1.655 -11.000 -4.189 313 HB3 ALA 56 HB3 ALA 56 -2.803 -10.039 -5.112 314 H TYR 57 H TYR 57 -5.009 -11.452 -1.980 315 HA TYR 57 HA TYR 57 -7.174 -10.062 -3.273 316 HB2 TYR 57 HB2 TYR 57 -6.935 -12.439 -1.485 317 HB3 TYR 57 HB3 TYR 57 -8.513 -11.675 -1.700 318 HD1 TYR 57 HD2 TYR 57 -5.975 -11.713 -4.369 319 HD2 TYR 57 HD1 TYR 57 -9.481 -13.593 -2.840 320 HE1 TYR 57 HE2 TYR 57 -6.270 -12.879 -6.498 321 HE2 TYR 57 HE1 TYR 57 -9.781 -14.777 -4.976 322 HH TYR 57 HH TYR 57 -9.135 -14.530 -7.327 323 H ALA 58 H ALA 58 -5.870 -10.336 0.015 324 HA ALA 58 HA ALA 58 -7.792 -8.711 1.304 325 HB1 ALA 58 HB1 ALA 58 -4.920 -9.109 2.132 326 HB2 ALA 58 HB2 ALA 58 -6.206 -10.298 2.398 327 HB3 ALA 58 HB3 ALA 58 -6.305 -8.712 3.163 328 H LEU 59 H LEU 59 -4.660 -8.085 -0.116 329 HA LEU 59 HA LEU 59 -4.652 -5.312 0.723 330 HB2 LEU 59 HB2 LEU 59 -2.751 -7.338 0.217 331 HB3 LEU 59 HB3 LEU 59 -2.453 -6.086 -0.964 332 HG LEU 59 HG LEU 59 -1.890 -4.515 0.665 333 HD11 LEU 59 HD11 LEU 59 -3.373 -6.330 2.530 334 HD12 LEU 59 HD12 LEU 59 -3.717 -4.630 2.138 335 HD13 LEU 59 HD13 LEU 59 -2.304 -5.049 3.115 336 HD21 LEU 59 HD21 LEU 59 -1.013 -7.205 1.668 337 HD22 LEU 59 HD22 LEU 59 -0.274 -5.666 2.110 338 HD23 LEU 59 HD23 LEU 59 -0.199 -6.235 0.442 339 H GLY 60 H GLY 60 -4.984 -7.220 -2.180 340 HA2 GLY 60 HA3 GLY 60 -5.977 -6.307 -4.183 341 HA3 GLY 60 HA2 GLY 60 -5.260 -4.751 -3.764 342 H THR 61 H THR 61 -4.986 -7.032 -5.964 343 HA THR 61 HA THR 61 -2.338 -7.921 -5.878 344 HB THR 61 HB THR 61 -2.584 -8.301 -8.324 345 HG1 THR 61 HG1 THR 61 -4.770 -6.601 -7.899 346 HG21 THR 61 HG21 THR 61 -3.442 -9.897 -6.594 347 HG22 THR 61 HG22 THR 61 -4.306 -9.974 -8.131 348 HG23 THR 61 HG23 THR 61 -5.028 -9.141 -6.756 349 HA PRO 62 HA PRO 62 0.008 -4.296 -6.376 350 HB2 PRO 62 HB2 PRO 62 2.044 -5.926 -7.753 351 HB3 PRO 62 HB3 PRO 62 2.141 -5.057 -6.220 352 HG2 PRO 62 HG2 PRO 62 2.018 -7.739 -6.331 353 HG3 PRO 62 HG3 PRO 62 1.274 -6.812 -5.014 354 HD2 PRO 62 HD2 PRO 62 -0.008 -8.089 -7.396 355 HD3 PRO 62 HD3 PRO 62 -0.593 -7.981 -5.724 356 H LEU 63 H LEU 63 1.412 -3.138 -8.016 357 HA LEU 63 HA LEU 63 -0.235 -2.225 -10.019 358 HB2 LEU 63 HB2 LEU 63 2.762 -2.101 -10.135 359 HB3 LEU 63 HB3 LEU 63 1.606 -0.922 -10.732 360 HG LEU 63 HG LEU 63 1.704 -1.545 -7.803 361 HD11 LEU 63 HD11 LEU 63 4.017 -1.108 -8.559 362 HD12 LEU 63 HD12 LEU 63 3.398 0.148 -7.481 363 HD13 LEU 63 HD13 LEU 63 3.489 0.442 -9.219 364 HD21 LEU 63 HD21 LEU 63 -0.127 -0.183 -8.635 365 HD22 LEU 63 HD22 LEU 63 1.007 0.913 -9.421 366 HD23 LEU 63 HD23 LEU 63 0.963 0.803 -7.663 367 H MET 64 H MET 64 2.463 -4.510 -10.260 368 HA MET 64 HA MET 64 2.455 -4.869 -13.031 369 HB2 MET 64 HB2 MET 64 3.457 -7.153 -12.455 370 HB3 MET 64 HB3 MET 64 4.309 -5.718 -11.903 371 HG2 MET 64 HG2 MET 64 3.212 -6.008 -9.686 372 HG3 MET 64 HG3 MET 64 2.567 -7.547 -10.260 373 HE1 MET 64 HE1 MET 64 5.047 -8.873 -7.846 374 HE2 MET 64 HE2 MET 64 3.529 -7.964 -7.987 375 HE3 MET 64 HE3 MET 64 5.023 -7.127 -7.568 376 H SER 65 H SER 65 0.076 -5.779 -10.813 377 HA SER 65 HA SER 65 -1.966 -6.705 -11.083 378 HB2 SER 65 HB2 SER 65 -1.874 -5.495 -13.288 379 HB3 SER 65 HB3 SER 65 -1.321 -7.001 -14.018 380 HG SER 65 HG SER 65 -3.582 -7.315 -12.493 381 H ASP 66 H ASP 66 0.802 -8.319 -11.475 382 HA ASP 66 HA ASP 66 -0.552 -10.896 -11.263 383 HB2 ASP 66 HB2 ASP 66 1.836 -10.273 -13.002 384 HB3 ASP 66 HB3 ASP 66 1.469 -11.902 -12.443 385 HA PRO 67 HA PRO 67 2.149 -10.264 -7.676 386 HB2 PRO 67 HB2 PRO 67 0.506 -11.420 -5.902 387 HB3 PRO 67 HB3 PRO 67 0.195 -9.795 -6.530 388 HG2 PRO 67 HG2 PRO 67 -1.019 -12.407 -7.377 389 HG3 PRO 67 HG3 PRO 67 -1.826 -10.860 -7.047 390 HD2 PRO 67 HD2 PRO 67 -1.183 -11.699 -9.573 391 HD3 PRO 67 HD3 PRO 67 -1.260 -9.989 -9.104 392 H PHE 68 H PHE 68 0.670 -13.184 -8.930 393 HA PHE 68 HA PHE 68 2.031 -14.951 -7.132 394 HB2 PHE 68 HB2 PHE 68 0.468 -15.624 -9.627 395 HB3 PHE 68 HB3 PHE 68 0.841 -16.694 -8.285 396 HD1 PHE 68 HD2 PHE 68 0.208 -15.036 -5.972 397 HD2 PHE 68 HD1 PHE 68 -1.834 -15.453 -9.676 398 HE1 PHE 68 HE2 PHE 68 -1.897 -14.391 -4.874 399 HE2 PHE 68 HE1 PHE 68 -3.946 -14.806 -8.591 400 HZ PHE 68 HZ PHE 68 -3.981 -14.277 -6.185 401 H GLY 69 H GLY 69 3.566 -13.230 -9.131 402 HA2 GLY 69 HA3 GLY 69 4.997 -15.428 -10.485 403 HA3 GLY 69 HA2 GLY 69 4.954 -13.770 -11.067 404 H THR 70 H THR 70 5.211 -13.028 -8.076 405 HA THR 70 HA THR 70 8.113 -13.473 -7.883 406 HB THR 70 HB THR 70 7.455 -11.123 -8.620 407 HG1 THR 70 HG1 THR 70 8.938 -10.167 -7.079 408 HG21 THR 70 HG21 THR 70 5.478 -10.870 -7.200 409 HG22 THR 70 HG22 THR 70 6.660 -9.596 -6.891 410 HG23 THR 70 HG23 THR 70 6.504 -10.947 -5.766 411 H ASN 71 H ASN 71 8.878 -12.873 -5.574 412 HA ASN 71 HA ASN 71 6.892 -13.809 -3.611 413 HB2 ASN 71 HB2 ASN 71 8.629 -15.050 -2.441 414 HB3 ASN 71 HB3 ASN 71 8.523 -15.605 -4.107 415 HD21 ASN 71 HD21 ASN 71 10.709 -15.806 -2.208 416 HD22 ASN 71 HD22 ASN 71 12.067 -15.034 -2.950 417 H THR 72 H THR 72 8.192 -11.184 -4.552 418 HA THR 72 HA THR 72 8.491 -10.086 -1.862 419 HB THR 72 HB THR 72 10.242 -9.226 -4.172 420 HG1 THR 72 HG1 THR 72 10.557 -11.256 -2.255 421 HG21 THR 72 HG21 THR 72 9.771 -7.609 -2.364 422 HG22 THR 72 HG22 THR 72 11.476 -8.060 -2.470 423 HG23 THR 72 HG23 THR 72 10.454 -8.752 -1.207 424 H TRP 73 H TRP 73 6.790 -8.764 -1.702 425 HA TRP 73 HA TRP 73 5.822 -7.409 -4.129 426 HB2 TRP 73 HB2 TRP 73 4.420 -8.136 -1.552 427 HB3 TRP 73 HB3 TRP 73 3.685 -7.144 -2.806 428 HD1 TRP 73 HD TRP 73 5.525 -9.492 -4.757 429 HE1 TRP 73 HE1 TRP 73 4.115 -11.538 -5.437 430 HE3 TRP 73 HE3 TRP 73 1.659 -8.946 -1.464 431 HZ2 TRP 73 HZ2 TRP 73 1.702 -12.744 -4.686 432 HZ3 TRP 73 HZ3 TRP 73 -0.164 -10.594 -1.521 433 HH2 TRP 73 HH TRP 73 -0.139 -12.450 -3.097 434 H PHE 74 H PHE 74 5.399 -5.202 -4.142 435 HA PHE 74 HA PHE 74 6.635 -3.740 -1.898 436 HB2 PHE 74 HB2 PHE 74 6.627 -2.791 -4.763 437 HB3 PHE 74 HB3 PHE 74 7.561 -2.150 -3.412 438 HD1 PHE 74 HD2 PHE 74 9.171 -3.931 -2.281 439 HD2 PHE 74 HD1 PHE 74 7.673 -4.166 -6.256 440 HE1 PHE 74 HE2 PHE 74 11.035 -5.420 -2.894 441 HE2 PHE 74 HE1 PHE 74 9.533 -5.649 -6.876 442 HZ PHE 74 HZ PHE 74 11.218 -6.276 -5.194 443 H TYR 75 H TYR 75 5.201 -2.683 -0.794 444 HA TYR 75 HA TYR 75 3.126 -1.121 -2.192 445 HB2 TYR 75 HB2 TYR 75 2.770 -2.523 0.466 446 HB3 TYR 75 HB3 TYR 75 1.557 -1.591 -0.379 447 HD1 TYR 75 HD1 TYR 75 1.004 -2.475 -2.817 448 HD2 TYR 75 HD2 TYR 75 2.733 -4.781 0.297 449 HE1 TYR 75 HE1 TYR 75 0.200 -4.527 -3.910 450 HE2 TYR 75 HE2 TYR 75 1.948 -6.853 -0.786 451 HH TYR 75 HH TYR 75 0.125 -7.509 -2.365 452 H VAL 76 H VAL 76 2.236 0.573 -0.331 453 HA VAL 76 HA VAL 76 4.682 1.576 0.974 454 HB VAL 76 HB VAL 76 4.402 2.812 -1.105 455 HG11 VAL 76 HG11 VAL 76 1.727 3.630 -0.007 456 HG12 VAL 76 HG12 VAL 76 2.010 2.594 -1.406 457 HG13 VAL 76 HG13 VAL 76 2.484 4.293 -1.454 458 HG21 VAL 76 HG21 VAL 76 3.751 4.503 1.298 459 HG22 VAL 76 HG22 VAL 76 4.429 5.086 -0.222 460 HG23 VAL 76 HG23 VAL 76 5.363 3.989 0.796 461 H PHE 77 H PHE 77 4.393 2.919 2.745 462 HA PHE 77 HA PHE 77 1.924 2.477 4.235 463 HB2 PHE 77 HB2 PHE 77 4.716 3.165 4.895 464 HB3 PHE 77 HB3 PHE 77 3.507 3.975 5.879 465 HD1 PHE 77 HD2 PHE 77 2.986 0.623 4.498 466 HD2 PHE 77 HD1 PHE 77 4.129 2.893 7.907 467 HE1 PHE 77 HE2 PHE 77 2.752 -1.380 5.909 468 HE2 PHE 77 HE1 PHE 77 3.897 0.894 9.323 469 HZ PHE 77 HZ PHE 77 3.207 -1.247 8.322 470 H ARG 78 H ARG 78 0.876 4.261 5.337 471 HA ARG 78 HA ARG 78 0.325 6.466 3.682 472 HB2 ARG 78 HB2 ARG 78 -1.130 5.419 5.522 473 HB3 ARG 78 HB1 ARG 78 -0.166 6.338 6.661 474 HG2 ARG 78 HG2 ARG 78 -1.529 7.691 4.391 475 HG3 ARG 78 HG1 ARG 78 -2.423 7.282 5.853 476 HD2 ARG 78 HD2 ARG 78 -0.559 8.517 7.108 477 HD3 ARG 78 HD1 ARG 78 -0.097 9.163 5.533 478 HE ARG 78 HE ARG 78 -2.891 9.500 6.265 479 HH11 ARG 78 HH11 ARG 78 0.319 10.922 6.272 480 HH12 ARG 78 HH12 ARG 78 -0.266 12.555 6.418 481 HH21 ARG 78 HH21 ARG 78 -3.658 11.652 6.490 482 HH22 ARG 78 HH22 ARG 78 -2.524 12.963 6.534 483 H GLN 79 H GLN 79 1.779 7.971 3.236 484 HA GLN 79 HA GLN 79 3.190 9.430 5.186 485 HB2 GLN 79 HB2 GLN 79 4.376 7.132 5.012 486 HB3 GLN 79 HB3 GLN 79 4.935 7.701 3.447 487 HG2 GLN 79 HG2 GLN 79 6.621 8.048 5.159 488 HG3 GLN 79 HG3 GLN 79 6.042 9.592 4.528 489 HE21 GLN 79 HE21 GLN 79 6.129 7.466 7.274 490 HE22 GLN 79 HE22 GLN 79 5.509 8.601 8.420 491 H GLN 80 H GLN 80 5.417 9.932 3.329 492 HA GLN 80 HA GLN 80 4.475 12.113 1.920 493 HB2 GLN 80 HB2 GLN 80 6.609 12.150 0.821 494 HB3 GLN 80 HB3 GLN 80 6.847 11.637 2.482 495 HG2 GLN 80 HG2 GLN 80 7.075 9.336 1.788 496 HG3 GLN 80 HG3 GLN 80 6.685 9.770 0.127 497 HE21 GLN 80 HE21 GLN 80 8.264 12.220 0.197 498 HE22 GLN 80 HE22 GLN 80 9.923 11.714 0.148 499 HA PRO 81 HA PRO 81 2.729 10.536 -1.836 500 HB2 PRO 81 HB2 PRO 81 3.554 13.036 -3.105 501 HB3 PRO 81 HB3 PRO 81 1.925 12.445 -2.772 502 HG2 PRO 81 HG2 PRO 81 3.005 14.525 -1.431 503 HG3 PRO 81 HG3 PRO 81 1.865 13.398 -0.672 504 HD2 PRO 81 HD2 PRO 81 4.853 13.499 -0.461 505 HD3 PRO 81 HD3 PRO 81 3.651 13.207 0.810 506 H GLY 82 H GLY 82 5.950 11.440 -1.432 507 HA2 GLY 82 HA3 GLY 82 7.644 9.941 -2.151 508 HA3 GLY 82 HA2 GLY 82 6.643 9.513 -3.530 509 H HIS 83 H HIS 83 6.712 12.872 -3.182 510 HA HIS 83 HA HIS 83 8.881 12.996 -5.172 511 HB2 HIS 83 HB2 HIS 83 7.870 15.132 -5.958 512 HB3 HIS 83 HB1 HIS 83 6.835 13.734 -6.189 513 HD1 HIS 83 HD1 HIS 83 4.552 13.799 -5.146 514 HD2 HIS 83 HD2 HIS 83 6.985 16.933 -3.899 515 HE1 HIS 83 HE1 HIS 83 3.035 15.387 -3.915 516 HE2 HIS 83 HE2 HIS 83 4.499 17.349 -3.305 517 H GLU 84 H GLU 84 9.239 12.927 -2.370 518 HA GLU 84 HA GLU 84 10.408 15.579 -1.879 519 HB2 GLU 84 HB2 GLU 84 9.322 13.622 0.126 520 HB3 GLU 84 HB3 GLU 84 10.091 15.159 0.501 521 HG2 GLU 84 HG2 GLU 84 7.888 15.707 0.619 522 HG3 GLU 84 HG3 GLU 84 8.266 16.162 -1.025 523 H GLY 85 H GLY 85 11.969 15.007 0.258 524 HA2 GLY 85 HA3 GLY 85 14.126 13.413 -0.625 525 HA3 GLY 85 HA2 GLY 85 13.912 14.067 1.000 526 H VAL 86 H VAL 86 13.506 11.430 -1.066 527 HA VAL 86 HA VAL 86 11.518 9.887 -0.125 528 HB VAL 86 HB VAL 86 14.164 8.651 -0.701 529 HG11 VAL 86 HG11 VAL 86 11.351 7.707 -1.165 530 HG12 VAL 86 HG12 VAL 86 12.457 7.128 0.083 531 HG13 VAL 86 HG13 VAL 86 12.814 6.832 -1.620 532 HG21 VAL 86 HG21 VAL 86 12.127 9.718 -2.637 533 HG22 VAL 86 HG22 VAL 86 13.478 8.676 -3.089 534 HG23 VAL 86 HG23 VAL 86 13.785 10.285 -2.432 535 H THR 87 H THR 87 10.935 9.104 1.627 536 HA THR 87 HA THR 87 12.730 7.863 3.542 537 HB THR 87 HB THR 87 12.641 10.230 4.268 538 HG1 THR 87 HG1 THR 87 11.458 8.203 5.832 539 HG21 THR 87 HG21 THR 87 9.669 9.750 4.465 540 HG22 THR 87 HG22 THR 87 10.478 10.813 3.317 541 HG23 THR 87 HG23 THR 87 10.513 11.188 5.041 542 H GLN 88 H GLN 88 10.313 7.561 1.654 543 HA GLN 88 HA GLN 88 7.979 7.027 3.016 544 HB2 GLN 88 HB2 GLN 88 7.435 7.056 0.843 545 HB3 GLN 88 HB3 GLN 88 9.114 6.821 0.380 546 HG2 GLN 88 HG2 GLN 88 8.862 4.460 0.517 547 HG3 GLN 88 HG3 GLN 88 7.228 4.642 1.125 548 HE21 GLN 88 HE21 GLN 88 6.643 6.870 -0.679 549 HE22 GLN 88 HE22 GLN 88 6.412 6.169 -2.245 550 H GLN 89 H GLN 89 7.344 5.344 4.240 551 HA GLN 89 HA GLN 89 9.075 3.074 4.567 552 HB2 GLN 89 HB2 GLN 89 6.410 3.812 5.757 553 HB3 GLN 89 HB3 GLN 89 7.208 2.281 6.091 554 HG2 GLN 89 HG2 GLN 89 9.051 3.368 7.115 555 HG3 GLN 89 HG3 GLN 89 8.481 4.954 6.590 556 HE21 GLN 89 HE21 GLN 89 8.004 2.312 8.807 557 HE22 GLN 89 HE22 GLN 89 6.937 3.140 9.890 558 H THR 90 H THR 90 9.128 1.666 2.968 559 HA THR 90 HA THR 90 6.749 1.049 1.451 560 HB THR 90 HB THR 90 8.464 -0.514 0.293 561 HG1 THR 90 HG1 THR 90 10.518 -0.271 0.856 562 HG21 THR 90 HG21 THR 90 9.527 1.738 -0.646 563 HG22 THR 90 HG22 THR 90 8.139 2.416 0.201 564 HG23 THR 90 HG23 THR 90 7.906 1.194 -1.060 565 H LEU 91 H LEU 91 5.699 -0.855 1.449 566 HA LEU 91 HA LEU 91 6.328 -2.752 3.577 567 HB2 LEU 91 HB2 LEU 91 3.957 -1.966 3.176 568 HB3 LEU 91 HB3 LEU 91 4.016 -2.823 1.649 569 HG LEU 91 HG LEU 91 4.642 -4.887 3.071 570 HD11 LEU 91 HD11 LEU 91 3.488 -4.746 5.316 571 HD12 LEU 91 HD12 LEU 91 3.597 -2.987 5.134 572 HD13 LEU 91 HD13 LEU 91 5.069 -3.964 5.167 573 HD21 LEU 91 HD21 LEU 91 2.305 -5.424 3.526 574 HD22 LEU 91 HD22 LEU 91 2.541 -4.760 1.900 575 HD23 LEU 91 HD23 LEU 91 1.859 -3.747 3.176 576 H THR 92 H THR 92 7.726 -4.258 3.073 577 HA THR 92 HA THR 92 7.765 -5.317 0.329 578 HB THR 92 HB THR 92 9.886 -5.691 2.448 579 HG1 THR 92 HG1 THR 92 9.243 -3.468 1.031 580 HG21 THR 92 HG21 THR 92 9.879 -7.267 0.544 581 HG22 THR 92 HG22 THR 92 11.311 -6.236 0.560 582 HG23 THR 92 HG23 THR 92 9.993 -5.897 -0.563 583 H LEU 93 H LEU 93 6.466 -7.069 0.245 584 HA LEU 93 HA LEU 93 6.098 -8.583 2.690 585 HB2 LEU 93 HB2 LEU 93 4.267 -7.888 0.895 586 HB3 LEU 93 HB3 LEU 93 4.754 -9.422 0.181 587 HG LEU 93 HG LEU 93 4.328 -10.465 2.404 588 HD11 LEU 93 HD11 LEU 93 2.663 -8.908 3.712 589 HD12 LEU 93 HD12 LEU 93 3.641 -7.647 2.978 590 HD13 LEU 93 HD13 LEU 93 4.394 -8.866 4.007 591 HD21 LEU 93 HD21 LEU 93 1.841 -9.132 1.541 592 HD22 LEU 93 HD22 LEU 93 2.126 -10.813 1.975 593 HD23 LEU 93 HD23 LEU 93 2.674 -10.192 0.414 594 H THR 94 H THR 94 7.238 -10.290 3.174 595 HA THR 94 HA THR 94 8.890 -11.497 1.118 596 HB THR 94 HB THR 94 9.080 -11.347 4.124 597 HG1 THR 94 HG1 THR 94 10.206 -9.635 3.627 598 HG21 THR 94 HG21 THR 94 9.793 -13.518 3.292 599 HG22 THR 94 HG22 THR 94 11.122 -12.587 3.982 600 HG23 THR 94 HG23 THR 94 10.953 -12.730 2.228 601 H PHE 95 H PHE 95 8.429 -13.455 0.408 602 HA PHE 95 HA PHE 95 6.655 -15.201 1.988 603 HB2 PHE 95 HB2 PHE 95 6.889 -14.809 -0.989 604 HB3 PHE 95 HB3 PHE 95 6.088 -16.205 -0.289 605 HD1 PHE 95 HD2 PHE 95 4.103 -15.870 1.124 606 HD2 PHE 95 HD1 PHE 95 5.795 -12.720 -1.155 607 HE1 PHE 95 HE2 PHE 95 1.998 -14.635 1.311 608 HE2 PHE 95 HE1 PHE 95 3.685 -11.461 -0.977 609 HZ PHE 95 HZ PHE 95 1.783 -12.432 0.264 610 H ASN 96 H ASN 96 7.217 -17.290 2.298 611 HA ASN 96 HA ASN 96 9.905 -18.107 1.702 612 HB2 ASN 96 HB2 ASN 96 9.265 -20.245 2.800 613 HB3 ASN 96 HB3 ASN 96 8.960 -18.830 3.794 614 HD21 ASN 96 HD21 ASN 96 7.451 -19.829 5.059 615 HD22 ASN 96 HD22 ASN 96 5.882 -20.255 4.479 616 H SER 97 H SER 97 9.923 -20.665 1.005 617 HA SER 97 HA SER 97 9.748 -20.587 -1.750 618 HB2 SER 97 HB2 SER 97 11.136 -22.156 -0.392 619 HB3 SER 97 HB3 SER 97 9.681 -23.085 -0.041 620 HG SER 97 HG SER 97 10.835 -23.956 -1.807 621 H SER 98 H SER 98 7.291 -21.755 0.551 622 HA SER 98 HA SER 98 5.735 -22.998 -1.500 623 HB2 SER 98 HB2 SER 98 5.143 -22.405 1.405 624 HB3 SER 98 HB3 SER 98 4.187 -23.433 0.357 625 HG SER 98 HG SER 98 6.876 -23.842 1.158 626 H GLY 99 H GLY 99 6.184 -19.819 -0.683 627 HA2 GLY 99 HA3 GLY 99 5.041 -17.969 -1.529 628 HA3 GLY 99 HA2 GLY 99 3.726 -19.033 -2.012 629 H VAL 100 H VAL 100 5.031 -19.091 1.200 630 HA VAL 100 HA VAL 100 2.473 -18.056 2.227 631 HB VAL 100 HB VAL 100 4.526 -19.604 3.799 632 HG11 VAL 100 HG11 VAL 100 1.561 -19.219 4.189 633 HG12 VAL 100 HG12 VAL 100 2.838 -18.395 5.084 634 HG13 VAL 100 HG13 VAL 100 2.634 -20.140 5.243 635 HG21 VAL 100 HG21 VAL 100 2.287 -20.680 2.106 636 HG22 VAL 100 HG22 VAL 100 3.093 -21.614 3.368 637 HG23 VAL 100 HG23 VAL 100 4.013 -21.039 1.972 638 H LEU 101 H LEU 101 2.456 -16.348 3.669 639 HA LEU 101 HA LEU 101 4.541 -14.502 3.648 640 HB2 LEU 101 HB2 LEU 101 1.982 -14.821 5.036 641 HB3 LEU 101 HB3 LEU 101 3.160 -13.830 5.874 642 HG LEU 101 HG LEU 101 2.150 -13.408 3.084 643 HD11 LEU 101 HD11 LEU 101 1.792 -11.806 5.593 644 HD12 LEU 101 HD12 LEU 101 0.558 -12.821 4.846 645 HD13 LEU 101 HD13 LEU 101 1.156 -11.391 4.000 646 HD21 LEU 101 HD21 LEU 101 4.078 -11.759 4.674 647 HD22 LEU 101 HD22 LEU 101 3.482 -11.405 3.055 648 HD23 LEU 101 HD23 LEU 101 4.514 -12.812 3.332 649 H THR 102 H THR 102 6.342 -14.375 4.666 650 HA THR 102 HA THR 102 6.693 -15.877 7.175 651 HB THR 102 HB THR 102 9.023 -16.028 6.726 652 HG1 THR 102 HG1 THR 102 9.756 -14.169 5.887 653 HG21 THR 102 HG21 THR 102 7.387 -17.378 5.285 654 HG22 THR 102 HG22 THR 102 9.067 -17.280 4.749 655 HG23 THR 102 HG23 THR 102 7.835 -16.267 3.992 656 H ASN 103 H ASN 103 7.212 -12.793 5.561 657 HA ASN 103 HA ASN 103 6.966 -11.495 8.158 658 HB2 ASN 103 HB2 ASN 103 9.419 -11.902 7.849 659 HB3 ASN 103 HB3 ASN 103 9.349 -10.894 6.406 660 HD21 ASN 103 HD21 ASN 103 10.741 -9.342 7.216 661 HD22 ASN 103 HD22 ASN 103 10.289 -8.256 8.488 662 H ILE 104 H ILE 104 6.416 -9.343 8.073 663 HA ILE 104 HA ILE 104 5.673 -8.255 5.434 664 HB ILE 104 HB ILE 104 4.785 -7.016 8.016 665 HG12 ILE 104 HG12 ILE 104 4.269 -9.447 8.241 666 HG13 ILE 104 HG13 ILE 104 2.846 -8.416 8.239 667 HG21 ILE 104 HG21 ILE 104 3.554 -7.219 5.270 668 HG22 ILE 104 HG22 ILE 104 4.279 -5.809 6.033 669 HG23 ILE 104 HG23 ILE 104 2.774 -6.475 6.663 670 HD11 ILE 104 HD11 ILE 104 2.565 -9.014 5.817 671 HD12 ILE 104 HD12 ILE 104 2.337 -10.332 6.971 672 HD13 ILE 104 HD13 ILE 104 3.841 -10.212 6.051 673 H ASP 105 H ASP 105 7.697 -7.342 4.894 674 HA ASP 105 HA ASP 105 9.300 -6.017 6.874 675 HB2 ASP 105 HB2 ASP 105 9.566 -6.414 3.899 676 HB3 ASP 105 HB3 ASP 105 10.701 -5.441 4.811 677 H ASN 106 H ASN 106 8.222 -4.175 7.610 678 HA ASN 106 HA ASN 106 7.736 -2.146 5.562 679 HB2 ASN 106 HB2 ASN 106 6.235 -1.074 7.208 680 HB3 ASN 106 HB3 ASN 106 5.702 -2.661 6.714 681 HD21 ASN 106 HD21 ASN 106 5.810 -4.373 8.205 682 HD22 ASN 106 HD22 ASN 106 5.919 -4.074 9.910 683 H LYS 107 H LYS 107 9.395 -0.905 5.382 684 HA LYS 107 HA LYS 107 10.465 0.446 7.725 685 HB2 LYS 107 HB2 LYS 107 12.696 -0.219 7.449 686 HB3 LYS 107 HB1 LYS 107 11.803 -1.705 7.184 687 HG2 LYS 107 HG2 LYS 107 12.549 0.020 4.899 688 HG3 LYS 107 HG1 LYS 107 13.732 -1.085 5.592 689 HD2 LYS 107 HD2 LYS 107 12.158 -2.951 5.193 690 HD3 LYS 107 HD1 LYS 107 11.039 -1.818 4.431 691 HE2 LYS 107 HE2 LYS 107 12.635 -1.327 2.697 692 HE3 LYS 107 HE1 LYS 107 13.868 -2.296 3.501 693 HZ1 LYS 107 HZ1 LYS 107 11.327 -3.350 2.367 694 HZ2 LYS 107 HZ2 LYS 107 12.548 -4.272 3.105 695 HZ3 LYS 107 HZ3 LYS 107 12.854 -3.469 1.643 696 HA PRO 108 HA PRO 108 10.795 3.787 4.856 697 HB2 PRO 108 HB2 PRO 108 13.216 4.947 5.470 698 HB3 PRO 108 HB3 PRO 108 11.719 5.204 6.356 699 HG2 PRO 108 HG2 PRO 108 14.090 3.645 7.089 700 HG3 PRO 108 HG3 PRO 108 12.822 4.317 8.125 701 HD2 PRO 108 HD2 PRO 108 13.133 1.625 7.354 702 HD3 PRO 108 HD3 PRO 108 11.745 2.339 8.172 703 H ALA 109 H ALA 109 11.579 4.360 2.870 704 HA ALA 109 HA ALA 109 13.002 2.327 1.495 705 HB1 ALA 109 HB1 ALA 109 12.178 5.029 0.486 706 HB2 ALA 109 HB2 ALA 109 11.192 3.565 0.473 707 HB3 ALA 109 HB3 ALA 109 12.679 3.632 -0.480 708 H LEU 110 H LEU 110 14.594 3.128 -0.220 709 HA LEU 110 HA LEU 110 16.931 3.769 1.364 710 HB2 LEU 110 HB2 LEU 110 16.931 2.952 -1.517 711 HB3 LEU 110 HB3 LEU 110 18.138 2.646 -0.278 712 HG LEU 110 HG LEU 110 15.386 1.399 -0.303 713 HD11 LEU 110 HD11 LEU 110 16.665 -0.679 -0.920 714 HD12 LEU 110 HD12 LEU 110 18.033 0.364 -1.312 715 HD13 LEU 110 HD13 LEU 110 16.516 0.527 -2.198 716 HD21 LEU 110 HD21 LEU 110 16.284 1.443 1.911 717 HD22 LEU 110 HD22 LEU 110 17.861 0.885 1.346 718 HD23 LEU 110 HD23 LEU 110 16.470 -0.198 1.282 719 H SER 111 H SER 111 17.474 5.824 1.483 720 HA SER 111 HA SER 111 16.941 7.681 -0.636 721 HB2 SER 111 HB2 SER 111 18.494 8.168 1.901 722 HB3 SER 111 HB3 SER 111 17.608 9.333 0.931 723 HG SER 111 HG SER 111 15.698 8.536 1.666 724 H GLY 112 H GLY 112 19.127 5.389 -0.302 725 HA2 GLY 112 HA3 GLY 112 21.385 6.964 -1.344 726 HA3 GLY 112 HA2 GLY 112 21.537 5.415 -0.542 727 H ASN 113 H ASN 113 21.421 3.631 -1.666 728 HA ASN 113 HA ASN 113 20.597 3.754 -4.484 729 HB2 ASN 113 HB2 ASN 113 22.484 2.559 -5.244 730 HB3 ASN 113 HB3 ASN 113 23.142 3.772 -4.153 731 HD21 ASN 113 HD21 ASN 113 23.801 3.114 -2.058 732 HD22 ASN 113 HD22 ASN 113 24.279 1.474 -1.761 Start of MODEL 3 1 H1 GLY 17 H1 GLY 17 -17.634 36.749 13.471 2 H2 GLY 17 H2 GLY 17 -18.344 36.519 14.995 3 H3 GLY 17 H3 GLY 17 -19.269 37.120 13.708 4 HA2 GLY 17 HA2 GLY 17 -18.076 34.411 13.862 5 HA3 GLY 17 HA3 GLY 17 -19.774 34.796 14.116 6 H SER 18 H SER 18 -21.092 35.096 12.394 7 HA SER 18 HA SER 18 -21.872 35.054 10.271 8 HB2 SER 18 HB2 SER 18 -19.121 36.102 9.560 9 HB3 SER 18 HB3 SER 18 -20.553 36.171 8.532 10 HG SER 18 HG SER 18 -20.617 37.281 11.127 11 H HIS 19 H HIS 19 -21.087 34.335 7.878 12 HA HIS 19 HA HIS 19 -20.570 32.630 6.490 13 HB2 HIS 19 HB2 HIS 19 -18.380 32.238 8.526 14 HB3 HIS 19 HB1 HIS 19 -18.519 31.235 7.087 15 HD1 HIS 19 HD1 HIS 19 -16.008 32.466 6.903 16 HD2 HIS 19 HD2 HIS 19 -19.398 34.702 5.995 17 HE1 HIS 19 HE1 HIS 19 -15.194 34.412 5.526 18 HE2 HIS 19 HE2 HIS 19 -17.273 35.689 4.895 19 H MET 20 H MET 20 -22.545 32.255 8.568 20 HA MET 20 HA MET 20 -22.249 29.429 9.269 21 HB2 MET 20 HB2 MET 20 -24.215 29.752 10.693 22 HB3 MET 20 HB3 MET 20 -22.967 30.933 11.059 23 HG2 MET 20 HG2 MET 20 -24.187 32.611 9.758 24 HG3 MET 20 HG3 MET 20 -25.444 31.422 9.419 25 HE1 MET 20 HE1 MET 20 -23.466 31.793 12.788 26 HE2 MET 20 HE2 MET 20 -24.471 32.949 13.661 27 HE3 MET 20 HE3 MET 20 -23.595 33.455 12.219 28 H SER 21 H SER 21 -22.744 30.395 6.528 29 HA SER 21 HA SER 21 -25.422 29.640 5.859 30 HB2 SER 21 HB2 SER 21 -23.000 29.954 4.067 31 HB3 SER 21 HB3 SER 21 -24.683 29.894 3.544 32 HG SER 21 HG SER 21 -24.424 32.003 3.682 33 H THR 22 H THR 22 -25.269 27.580 7.076 34 HA THR 22 HA THR 22 -23.751 25.392 6.194 35 HB THR 22 HB THR 22 -26.506 25.343 7.445 36 HG1 THR 22 HG1 THR 22 -25.550 25.782 9.307 37 HG21 THR 22 HG21 THR 22 -24.290 23.294 7.415 38 HG22 THR 22 HG22 THR 22 -25.822 23.182 6.548 39 HG23 THR 22 HG23 THR 22 -25.802 23.153 8.312 40 H LEU 23 H LEU 23 -23.752 24.698 4.142 41 HA LEU 23 HA LEU 23 -26.283 24.808 2.642 42 HB2 LEU 23 HB2 LEU 23 -23.449 24.751 1.598 43 HB3 LEU 23 HB3 LEU 23 -24.897 24.837 0.613 44 HG LEU 23 HG LEU 23 -23.923 26.953 2.533 45 HD11 LEU 23 HD11 LEU 23 -22.617 26.803 0.477 46 HD12 LEU 23 HD12 LEU 23 -23.574 28.283 0.525 47 HD13 LEU 23 HD13 LEU 23 -24.096 26.928 -0.476 48 HD21 LEU 23 HD21 LEU 23 -25.774 28.307 1.640 49 HD22 LEU 23 HD22 LEU 23 -26.343 26.889 2.521 50 HD23 LEU 23 HD23 LEU 23 -26.360 26.898 0.757 51 H GLU 24 H GLU 24 -23.455 22.787 3.284 52 HA GLU 24 HA GLU 24 -24.633 20.615 1.736 53 HB2 GLU 24 HB2 GLU 24 -21.940 20.790 3.099 54 HB3 GLU 24 HB3 GLU 24 -22.473 19.494 2.036 55 HG2 GLU 24 HG2 GLU 24 -22.643 21.061 0.185 56 HG3 GLU 24 HG3 GLU 24 -22.135 22.378 1.240 57 H ARG 25 H ARG 25 -25.668 18.969 2.610 58 HA ARG 25 HA ARG 25 -25.869 18.768 5.499 59 HB2 ARG 25 HB2 ARG 25 -27.584 17.033 5.007 60 HB3 ARG 25 HB1 ARG 25 -27.923 18.580 4.249 61 HG2 ARG 25 HG2 ARG 25 -26.992 17.690 2.128 62 HG3 ARG 25 HG1 ARG 25 -26.812 16.122 2.914 63 HD2 ARG 25 HD2 ARG 25 -29.380 17.627 2.446 64 HD3 ARG 25 HD1 ARG 25 -28.849 16.164 1.620 65 HE ARG 25 HE ARG 25 -29.530 16.268 4.491 66 HH11 ARG 25 HH11 ARG 25 -29.422 14.596 1.410 67 HH12 ARG 25 HH12 ARG 25 -30.317 13.218 1.988 68 HH21 ARG 25 HH21 ARG 25 -30.707 14.490 5.251 69 HH22 ARG 25 HH22 ARG 25 -31.045 13.152 4.184 70 H VAL 26 H VAL 26 -23.495 18.292 5.409 71 HA VAL 26 HA VAL 26 -21.672 17.001 5.587 72 HB VAL 26 HB VAL 26 -21.738 14.964 6.665 73 HG11 VAL 26 HG11 VAL 26 -22.753 16.652 8.038 74 HG12 VAL 26 HG12 VAL 26 -23.507 15.089 8.357 75 HG13 VAL 26 HG13 VAL 26 -24.343 16.288 7.369 76 HG21 VAL 26 HG21 VAL 26 -22.949 13.639 5.049 77 HG22 VAL 26 HG22 VAL 26 -24.466 14.408 5.512 78 HG23 VAL 26 HG23 VAL 26 -23.613 13.377 6.659 79 H VAL 27 H VAL 27 -20.604 14.862 4.694 80 HA VAL 27 HA VAL 27 -21.502 14.415 1.968 81 HB VAL 27 HB VAL 27 -19.774 16.364 2.244 82 HG11 VAL 27 HG11 VAL 27 -18.165 15.218 3.607 83 HG12 VAL 27 HG12 VAL 27 -17.437 15.622 2.052 84 HG13 VAL 27 HG13 VAL 27 -17.959 13.967 2.379 85 HG21 VAL 27 HG21 VAL 27 -20.574 15.374 0.101 86 HG22 VAL 27 HG22 VAL 27 -19.205 14.262 0.165 87 HG23 VAL 27 HG23 VAL 27 -18.927 15.995 0.052 88 H TYR 28 H TYR 28 -19.731 12.805 0.952 89 HA TYR 28 HA TYR 28 -19.926 10.344 2.123 90 HB2 TYR 28 HB2 TYR 28 -17.678 11.347 0.364 91 HB3 TYR 28 HB3 TYR 28 -18.086 9.660 0.644 92 HD1 TYR 28 HD2 TYR 28 -20.305 8.796 -0.162 93 HD2 TYR 28 HD1 TYR 28 -18.827 12.633 -1.247 94 HE1 TYR 28 HE2 TYR 28 -21.923 8.887 -2.014 95 HE2 TYR 28 HE1 TYR 28 -20.442 12.740 -3.096 96 HH TYR 28 HH TYR 28 -21.750 11.180 -4.505 97 H ARG 29 H ARG 29 -18.590 9.028 3.346 98 HA ARG 29 HA ARG 29 -17.224 10.389 5.453 99 HB2 ARG 29 HB2 ARG 29 -18.580 8.465 5.970 100 HB3 ARG 29 HB1 ARG 29 -17.674 7.465 4.845 101 HG2 ARG 29 HG2 ARG 29 -15.679 7.718 6.265 102 HG3 ARG 29 HG1 ARG 29 -16.644 8.653 7.412 103 HD2 ARG 29 HD2 ARG 29 -18.061 6.782 7.845 104 HD3 ARG 29 HD1 ARG 29 -17.312 5.849 6.551 105 HE ARG 29 HE ARG 29 -15.519 6.707 8.656 106 HH11 ARG 29 HH11 ARG 29 -17.531 4.177 7.335 107 HH12 ARG 29 HH12 ARG 29 -16.840 2.921 8.324 108 HH21 ARG 29 HH21 ARG 29 -14.594 5.074 9.965 109 HH22 ARG 29 HH22 ARG 29 -15.168 3.435 9.825 110 HA PRO 30 HA PRO 30 -13.251 10.575 3.413 111 HB2 PRO 30 HB2 PRO 30 -12.458 10.930 6.256 112 HB3 PRO 30 HB3 PRO 30 -12.058 11.900 4.843 113 HG2 PRO 30 HG2 PRO 30 -13.850 12.738 6.618 114 HG3 PRO 30 HG3 PRO 30 -14.040 13.048 4.885 115 HD2 PRO 30 HD2 PRO 30 -15.457 11.114 6.614 116 HD3 PRO 30 HD3 PRO 30 -16.026 11.994 5.194 117 H ASP 31 H ASP 31 -11.918 8.972 2.914 118 HA ASP 31 HA ASP 31 -11.309 6.914 4.922 119 HB2 ASP 31 HB2 ASP 31 -12.453 6.058 2.882 120 HB3 ASP 31 HB3 ASP 31 -11.161 6.729 1.898 121 H ILE 32 H ILE 32 -9.235 6.589 2.445 122 HA ILE 32 HA ILE 32 -7.241 8.378 3.590 123 HB ILE 32 HB ILE 32 -6.902 6.304 1.424 124 HG12 ILE 32 HG12 ILE 32 -7.667 5.412 3.635 125 HG13 ILE 32 HG13 ILE 32 -6.086 4.846 3.136 126 HG21 ILE 32 HG21 ILE 32 -4.506 6.504 2.169 127 HG22 ILE 32 HG22 ILE 32 -4.981 7.969 3.023 128 HG23 ILE 32 HG23 ILE 32 -5.146 7.874 1.267 129 HD11 ILE 32 HD11 ILE 32 -6.401 5.542 5.542 130 HD12 ILE 32 HD12 ILE 32 -6.386 7.195 4.946 131 HD13 ILE 32 HD13 ILE 32 -4.980 6.152 4.704 132 H ASN 33 H ASN 33 -6.271 9.999 2.448 133 HA ASN 33 HA ASN 33 -7.729 11.098 0.218 134 HB2 ASN 33 HB2 ASN 33 -6.585 13.057 0.634 135 HB3 ASN 33 HB3 ASN 33 -6.449 12.284 2.208 136 HD21 ASN 33 HD21 ASN 33 -4.478 11.473 2.885 137 HD22 ASN 33 HD22 ASN 33 -2.993 11.897 2.103 138 H GLN 34 H GLN 34 -4.990 9.131 0.717 139 HA GLN 34 HA GLN 34 -4.182 9.436 -2.081 140 HB2 GLN 34 HB2 GLN 34 -1.980 8.464 -1.287 141 HB3 GLN 34 HB3 GLN 34 -2.348 10.100 -0.760 142 HG2 GLN 34 HG2 GLN 34 -2.976 9.300 1.415 143 HG3 GLN 34 HG3 GLN 34 -2.790 7.631 0.880 144 HE21 GLN 34 HE21 GLN 34 -0.750 6.775 0.631 145 HE22 GLN 34 HE22 GLN 34 0.654 7.541 1.281 146 H GLY 35 H GLY 35 -6.084 7.965 -2.267 147 HA2 GLY 35 HA3 GLY 35 -5.677 5.199 -1.574 148 HA3 GLY 35 HA2 GLY 35 -7.007 5.853 -2.518 149 H ASN 36 H ASN 36 -6.921 4.330 -4.118 150 HA ASN 36 HA ASN 36 -6.384 3.510 -6.159 151 HB2 ASN 36 HB2 ASN 36 -5.664 5.812 -6.767 152 HB3 ASN 36 HB3 ASN 36 -4.051 5.435 -6.180 153 HD21 ASN 36 HD21 ASN 36 -3.186 5.852 -8.194 154 HD22 ASN 36 HD22 ASN 36 -3.374 4.748 -9.511 155 H TYR 37 H TYR 37 -3.468 4.082 -4.213 156 HA TYR 37 HA TYR 37 -2.684 1.312 -4.732 157 HB2 TYR 37 HB2 TYR 37 -0.463 2.123 -3.716 158 HB3 TYR 37 HB3 TYR 37 -0.863 2.650 -5.343 159 HD1 TYR 37 HD2 TYR 37 -0.909 3.725 -1.790 160 HD2 TYR 37 HD1 TYR 37 -0.939 4.935 -5.864 161 HE1 TYR 37 HE2 TYR 37 -0.578 6.064 -1.091 162 HE2 TYR 37 HE1 TYR 37 -0.606 7.273 -5.181 163 HH TYR 37 HH TYR 37 -0.995 8.693 -3.194 164 H LEU 38 H LEU 38 -1.099 0.876 -2.525 165 HA LEU 38 HA LEU 38 -3.193 0.449 -0.554 166 HB2 LEU 38 HB2 LEU 38 -1.620 -1.357 -1.358 167 HB3 LEU 38 HB3 LEU 38 -0.350 -0.550 -0.457 168 HG LEU 38 HG LEU 38 -2.273 -0.813 1.445 169 HD11 LEU 38 HD11 LEU 38 -3.813 -2.075 0.235 170 HD12 LEU 38 HD12 LEU 38 -2.945 -3.267 1.201 171 HD13 LEU 38 HD13 LEU 38 -2.561 -3.059 -0.510 172 HD21 LEU 38 HD21 LEU 38 -0.158 -2.837 0.754 173 HD22 LEU 38 HD22 LEU 38 -0.954 -2.660 2.317 174 HD23 LEU 38 HD23 LEU 38 0.082 -1.372 1.703 175 H THR 39 H THR 39 -2.986 0.986 1.632 176 HA THR 39 HA THR 39 -0.848 2.888 2.300 177 HB THR 39 HB THR 39 -2.374 4.183 3.653 178 HG1 THR 39 HG1 THR 39 -4.312 2.230 2.851 179 HG21 THR 39 HG21 THR 39 -2.303 4.230 0.983 180 HG22 THR 39 HG22 THR 39 -3.272 5.348 1.938 181 HG23 THR 39 HG23 THR 39 -4.022 3.921 1.218 182 H ALA 40 H ALA 40 -1.170 3.237 4.907 183 HA ALA 40 HA ALA 40 -0.201 0.834 6.062 184 HB1 ALA 40 HB1 ALA 40 -1.171 3.334 7.445 185 HB2 ALA 40 HB2 ALA 40 0.468 3.053 6.861 186 HB3 ALA 40 HB3 ALA 40 -0.186 2.061 8.163 187 H ASN 41 H ASN 41 -3.267 2.506 6.120 188 HA ASN 41 HA ASN 41 -4.672 1.084 8.027 189 HB2 ASN 41 HB2 ASN 41 -5.632 2.218 5.392 190 HB3 ASN 41 HB3 ASN 41 -6.686 1.696 6.694 191 HD21 ASN 41 HD21 ASN 41 -7.564 3.766 6.881 192 HD22 ASN 41 HD22 ASN 41 -6.682 5.078 7.593 193 H ASP 42 H ASP 42 -4.098 0.380 4.654 194 HA ASP 42 HA ASP 42 -5.648 -2.003 4.579 195 HB2 ASP 42 HB2 ASP 42 -3.445 -1.143 2.705 196 HB3 ASP 42 HB3 ASP 42 -4.696 -2.337 2.381 197 H VAL 43 H VAL 43 -2.247 -1.289 5.185 198 HA VAL 43 HA VAL 43 -1.270 -3.923 5.148 199 HB VAL 43 HB VAL 43 -0.358 -1.565 6.810 200 HG11 VAL 43 HG11 VAL 43 1.018 -4.195 6.324 201 HG12 VAL 43 HG12 VAL 43 0.309 -3.675 7.860 202 HG13 VAL 43 HG13 VAL 43 1.702 -2.814 7.193 203 HG21 VAL 43 HG21 VAL 43 1.028 -2.785 4.484 204 HG22 VAL 43 HG22 VAL 43 1.244 -1.177 5.172 205 HG23 VAL 43 HG23 VAL 43 -0.214 -1.556 4.251 206 H SER 44 H SER 44 -2.866 -2.054 7.639 207 HA SER 44 HA SER 44 -2.666 -3.792 9.797 208 HB2 SER 44 HB2 SER 44 -3.488 -1.495 9.927 209 HB3 SER 44 HB3 SER 44 -4.960 -1.959 9.081 210 HG SER 44 HG SER 44 -4.128 -3.165 11.516 211 H LYS 45 H LYS 45 -4.498 -4.060 6.902 212 HA LYS 45 HA LYS 45 -6.547 -5.787 7.847 213 HB2 LYS 45 HB2 LYS 45 -5.516 -5.346 5.063 214 HB3 LYS 45 HB1 LYS 45 -6.984 -6.220 5.471 215 HG2 LYS 45 HG2 LYS 45 -7.980 -4.227 6.370 216 HG3 LYS 45 HG1 LYS 45 -6.480 -3.328 6.131 217 HD2 LYS 45 HD2 LYS 45 -8.050 -2.828 4.350 218 HD3 LYS 45 HD1 LYS 45 -6.668 -3.720 3.706 219 HE2 LYS 45 HE2 LYS 45 -8.073 -5.806 4.048 220 HE3 LYS 45 HE1 LYS 45 -9.443 -4.717 4.263 221 HZ1 LYS 45 HZ1 LYS 45 -9.419 -5.346 2.003 222 HZ2 LYS 45 HZ2 LYS 45 -7.761 -5.036 1.842 223 HZ3 LYS 45 HZ3 LYS 45 -8.844 -3.748 2.046 224 H ILE 46 H ILE 46 -3.370 -6.350 6.374 225 HA ILE 46 HA ILE 46 -3.906 -9.166 6.166 226 HB ILE 46 HB ILE 46 -1.668 -9.395 5.247 227 HG12 ILE 46 HG12 ILE 46 -1.417 -6.383 5.353 228 HG13 ILE 46 HG13 ILE 46 -0.643 -7.469 6.508 229 HG21 ILE 46 HG21 ILE 46 -2.112 -8.322 3.154 230 HG22 ILE 46 HG22 ILE 46 -3.247 -7.214 3.928 231 HG23 ILE 46 HG23 ILE 46 -3.606 -8.938 3.853 232 HD11 ILE 46 HD11 ILE 46 -0.250 -7.898 3.583 233 HD12 ILE 46 HD12 ILE 46 0.802 -8.327 4.941 234 HD13 ILE 46 HD13 ILE 46 0.674 -6.640 4.429 235 H ARG 47 H ARG 47 -1.811 -10.491 6.649 236 HA ARG 47 HA ARG 47 -0.538 -10.063 9.143 237 HB2 ARG 47 HB2 ARG 47 -1.706 -11.855 10.415 238 HB3 ARG 47 HB1 ARG 47 -2.756 -10.485 10.082 239 HG2 ARG 47 HG2 ARG 47 -2.761 -12.835 8.237 240 HG3 ARG 47 HG1 ARG 47 -3.635 -12.917 9.770 241 HD2 ARG 47 HD2 ARG 47 -4.963 -10.999 9.171 242 HD3 ARG 47 HD1 ARG 47 -4.005 -10.738 7.714 243 HE ARG 47 HE ARG 47 -5.038 -13.280 7.477 244 HH11 ARG 47 HH11 ARG 47 -6.322 -10.049 7.850 245 HH12 ARG 47 HH12 ARG 47 -7.784 -10.382 6.971 246 HH21 ARG 47 HH21 ARG 47 -6.946 -13.723 6.276 247 HH22 ARG 47 HH22 ARG 47 -8.130 -12.464 6.062 248 H VAL 48 H VAL 48 0.958 -11.645 9.586 249 HA VAL 48 HA VAL 48 1.847 -13.116 7.313 250 HB VAL 48 HB VAL 48 2.933 -13.711 9.995 251 HG11 VAL 48 HG11 VAL 48 4.191 -12.997 7.354 252 HG12 VAL 48 HG12 VAL 48 3.955 -14.631 7.983 253 HG13 VAL 48 HG13 VAL 48 5.057 -13.524 8.799 254 HG21 VAL 48 HG21 VAL 48 3.096 -11.020 8.691 255 HG22 VAL 48 HG22 VAL 48 4.240 -11.569 9.921 256 HG23 VAL 48 HG23 VAL 48 2.527 -11.400 10.317 257 H GLY 49 H GLY 49 1.898 -15.344 7.042 258 HA2 GLY 49 HA3 GLY 49 1.502 -17.563 8.071 259 HA3 GLY 49 HA2 GLY 49 0.084 -16.843 8.826 260 H MET 50 H MET 50 -0.660 -15.318 6.444 261 HA MET 50 HA MET 50 -1.926 -17.494 5.024 262 HB2 MET 50 HB2 MET 50 -3.158 -15.704 3.802 263 HB3 MET 50 HB3 MET 50 -3.431 -15.743 5.532 264 HG2 MET 50 HG2 MET 50 -1.901 -13.838 5.774 265 HG3 MET 50 HG3 MET 50 -1.671 -13.833 4.031 266 HE1 MET 50 HE1 MET 50 -3.644 -10.769 3.895 267 HE2 MET 50 HE2 MET 50 -2.079 -11.459 4.353 268 HE3 MET 50 HE3 MET 50 -3.214 -10.947 5.602 269 H THR 51 H THR 51 -2.222 -16.919 2.533 270 HA THR 51 HA THR 51 0.486 -17.366 1.572 271 HB THR 51 HB THR 51 -0.482 -18.384 -0.347 272 HG1 THR 51 HG1 THR 51 -3.080 -18.250 0.010 273 HG21 THR 51 HG21 THR 51 -1.904 -19.006 2.195 274 HG22 THR 51 HG22 THR 51 -0.568 -19.880 1.445 275 HG23 THR 51 HG23 THR 51 -2.181 -19.937 0.728 276 H GLN 52 H GLN 52 0.464 -16.804 -0.983 277 HA GLN 52 HA GLN 52 0.544 -14.014 -1.264 278 HB2 GLN 52 HB2 GLN 52 0.438 -16.191 -3.354 279 HB3 GLN 52 HB3 GLN 52 0.811 -14.508 -3.666 280 HG2 GLN 52 HG2 GLN 52 2.804 -14.656 -2.308 281 HG3 GLN 52 HG3 GLN 52 2.415 -16.327 -1.899 282 HE21 GLN 52 HE21 GLN 52 3.543 -14.173 -4.370 283 HE22 GLN 52 HE22 GLN 52 4.131 -15.386 -5.448 284 H GLN 53 H GLN 53 -1.861 -16.468 -2.256 285 HA GLN 53 HA GLN 53 -3.409 -14.604 -3.752 286 HB2 GLN 53 HB2 GLN 53 -5.185 -16.370 -3.662 287 HB3 GLN 53 HB3 GLN 53 -3.671 -16.847 -4.360 288 HG2 GLN 53 HG2 GLN 53 -4.303 -18.677 -3.133 289 HG3 GLN 53 HG3 GLN 53 -3.150 -17.851 -2.108 290 HE21 GLN 53 HE21 GLN 53 -6.471 -16.736 -2.452 291 HE22 GLN 53 HE22 GLN 53 -6.961 -17.179 -0.851 292 H GLN 54 H GLN 54 -3.348 -15.622 -0.491 293 HA GLN 54 HA GLN 54 -5.727 -14.440 0.423 294 HB2 GLN 54 HB2 GLN 54 -3.103 -14.678 1.888 295 HB3 GLN 54 HB3 GLN 54 -4.674 -14.417 2.628 296 HG2 GLN 54 HG2 GLN 54 -4.503 -16.788 0.931 297 HG3 GLN 54 HG3 GLN 54 -3.458 -16.818 2.350 298 HE21 GLN 54 HE21 GLN 54 -4.537 -18.349 3.462 299 HE22 GLN 54 HE22 GLN 54 -6.144 -18.126 4.089 300 H VAL 55 H VAL 55 -2.399 -13.160 0.451 301 HA VAL 55 HA VAL 55 -3.149 -10.610 1.400 302 HB VAL 55 HB VAL 55 -0.636 -11.530 0.018 303 HG11 VAL 55 HG11 VAL 55 -1.087 -8.991 1.566 304 HG12 VAL 55 HG12 VAL 55 -1.046 -9.089 -0.194 305 HG13 VAL 55 HG13 VAL 55 0.395 -9.488 0.746 306 HG21 VAL 55 HG21 VAL 55 -0.965 -10.840 2.898 307 HG22 VAL 55 HG22 VAL 55 0.266 -11.853 2.122 308 HG23 VAL 55 HG23 VAL 55 -1.389 -12.457 2.299 309 H ALA 56 H ALA 56 -2.572 -11.896 -1.837 310 HA ALA 56 HA ALA 56 -2.620 -9.483 -3.251 311 HB1 ALA 56 HB1 ALA 56 -1.962 -11.269 -4.555 312 HB2 ALA 56 HB2 ALA 56 -3.611 -11.003 -5.117 313 HB3 ALA 56 HB3 ALA 56 -3.267 -12.304 -3.979 314 H TYR 57 H TYR 57 -5.173 -11.451 -1.925 315 HA TYR 57 HA TYR 57 -7.223 -9.908 -3.231 316 HB2 TYR 57 HB2 TYR 57 -7.156 -12.234 -1.378 317 HB3 TYR 57 HB3 TYR 57 -8.658 -11.326 -1.563 318 HD1 TYR 57 HD2 TYR 57 -6.148 -11.781 -4.240 319 HD2 TYR 57 HD1 TYR 57 -9.921 -13.042 -2.700 320 HE1 TYR 57 HE2 TYR 57 -6.609 -12.946 -6.333 321 HE2 TYR 57 HE1 TYR 57 -10.386 -14.220 -4.812 322 HH TYR 57 HH TYR 57 -9.679 -14.154 -7.166 323 H ALA 58 H ALA 58 -5.782 -10.112 -0.023 324 HA ALA 58 HA ALA 58 -7.599 -8.338 1.254 325 HB1 ALA 58 HB1 ALA 58 -4.785 -9.009 2.095 326 HB2 ALA 58 HB2 ALA 58 -6.200 -10.020 2.411 327 HB3 ALA 58 HB3 ALA 58 -6.100 -8.406 3.114 328 H LEU 59 H LEU 59 -4.403 -7.959 -0.164 329 HA LEU 59 HA LEU 59 -4.330 -5.126 0.513 330 HB2 LEU 59 HB2 LEU 59 -2.435 -7.246 0.244 331 HB3 LEU 59 HB3 LEU 59 -2.011 -5.983 -0.889 332 HG LEU 59 HG LEU 59 -1.616 -4.426 0.805 333 HD11 LEU 59 HD11 LEU 59 -3.274 -6.258 2.497 334 HD12 LEU 59 HD12 LEU 59 -3.591 -4.569 2.076 335 HD13 LEU 59 HD13 LEU 59 -2.281 -4.979 3.192 336 HD21 LEU 59 HD21 LEU 59 -0.851 -7.134 1.855 337 HD22 LEU 59 HD22 LEU 59 -0.157 -5.604 2.395 338 HD23 LEU 59 HD23 LEU 59 0.084 -6.148 0.733 339 H GLY 60 H GLY 60 -5.233 -7.084 -2.060 340 HA2 GLY 60 HA3 GLY 60 -5.916 -6.431 -4.198 341 HA3 GLY 60 HA2 GLY 60 -5.176 -4.856 -3.921 342 H THR 61 H THR 61 -4.965 -7.290 -5.941 343 HA THR 61 HA THR 61 -2.382 -8.263 -5.873 344 HB THR 61 HB THR 61 -2.664 -8.570 -8.368 345 HG1 THR 61 HG1 THR 61 -4.505 -6.714 -8.039 346 HG21 THR 61 HG21 THR 61 -3.378 -10.178 -6.541 347 HG22 THR 61 HG22 THR 61 -4.212 -10.351 -8.087 348 HG23 THR 61 HG23 THR 61 -5.012 -9.537 -6.743 349 HA PRO 62 HA PRO 62 0.174 -4.818 -6.345 350 HB2 PRO 62 HB2 PRO 62 2.110 -6.689 -7.566 351 HB3 PRO 62 HB3 PRO 62 2.254 -5.723 -6.098 352 HG2 PRO 62 HG2 PRO 62 1.909 -8.356 -5.949 353 HG3 PRO 62 HG3 PRO 62 1.088 -7.270 -4.810 354 HD2 PRO 62 HD2 PRO 62 0.001 -8.609 -7.265 355 HD3 PRO 62 HD3 PRO 62 -0.739 -8.449 -5.659 356 H LEU 63 H LEU 63 1.627 -3.746 -7.838 357 HA LEU 63 HA LEU 63 0.185 -2.783 -9.974 358 HB2 LEU 63 HB2 LEU 63 3.171 -2.562 -9.739 359 HB3 LEU 63 HB3 LEU 63 2.044 -1.390 -10.396 360 HG LEU 63 HG LEU 63 1.717 -2.104 -7.536 361 HD11 LEU 63 HD11 LEU 63 4.155 -1.911 -7.866 362 HD12 LEU 63 HD12 LEU 63 3.485 -0.650 -6.823 363 HD13 LEU 63 HD13 LEU 63 3.911 -0.279 -8.497 364 HD21 LEU 63 HD21 LEU 63 0.220 -0.517 -8.626 365 HD22 LEU 63 HD22 LEU 63 1.598 0.482 -9.088 366 HD23 LEU 63 HD23 LEU 63 1.186 0.281 -7.384 367 H MET 64 H MET 64 2.746 -5.172 -9.899 368 HA MET 64 HA MET 64 3.182 -5.434 -12.662 369 HB2 MET 64 HB2 MET 64 3.894 -7.826 -11.983 370 HB3 MET 64 HB3 MET 64 4.800 -6.459 -11.359 371 HG2 MET 64 HG2 MET 64 2.557 -7.510 -9.726 372 HG3 MET 64 HG3 MET 64 4.043 -8.457 -9.793 373 HE1 MET 64 HE1 MET 64 5.591 -8.204 -7.765 374 HE2 MET 64 HE2 MET 64 3.906 -8.217 -7.249 375 HE3 MET 64 HE3 MET 64 5.043 -7.087 -6.507 376 H SER 65 H SER 65 0.320 -5.832 -11.199 377 HA SER 65 HA SER 65 -1.640 -6.852 -11.650 378 HB2 SER 65 HB2 SER 65 -2.100 -7.353 -14.086 379 HB3 SER 65 HB3 SER 65 -1.566 -5.714 -13.737 380 HG SER 65 HG SER 65 0.547 -7.327 -14.258 381 H ASP 66 H ASP 66 0.601 -8.490 -10.795 382 HA ASP 66 HA ASP 66 -0.595 -11.036 -10.922 383 HB2 ASP 66 HB2 ASP 66 0.257 -11.520 -12.996 384 HB3 ASP 66 HB3 ASP 66 1.656 -10.470 -12.800 385 HA PRO 67 HA PRO 67 1.939 -10.561 -7.272 386 HB2 PRO 67 HB2 PRO 67 0.349 -12.042 -5.682 387 HB3 PRO 67 HB3 PRO 67 -0.083 -10.395 -6.152 388 HG2 PRO 67 HG2 PRO 67 -1.060 -13.004 -7.259 389 HG3 PRO 67 HG3 PRO 67 -1.984 -11.533 -6.883 390 HD2 PRO 67 HD2 PRO 67 -1.128 -12.204 -9.422 391 HD3 PRO 67 HD3 PRO 67 -1.430 -10.541 -8.880 392 H PHE 68 H PHE 68 0.966 -13.443 -8.976 393 HA PHE 68 HA PHE 68 2.258 -15.261 -7.165 394 HB2 PHE 68 HB2 PHE 68 1.005 -15.762 -9.864 395 HB3 PHE 68 HB3 PHE 68 1.440 -16.978 -8.678 396 HD1 PHE 68 HD2 PHE 68 0.475 -15.584 -6.215 397 HD2 PHE 68 HD1 PHE 68 -1.301 -16.090 -10.043 398 HE1 PHE 68 HE2 PHE 68 -1.758 -15.391 -5.196 399 HE2 PHE 68 HE1 PHE 68 -3.537 -15.890 -9.038 400 HZ PHE 68 HZ PHE 68 -3.768 -15.546 -6.610 401 H GLY 69 H GLY 69 3.408 -13.301 -9.609 402 HA2 GLY 69 HA3 GLY 69 5.244 -15.247 -10.753 403 HA3 GLY 69 HA2 GLY 69 5.096 -13.558 -11.214 404 H THR 70 H THR 70 5.222 -12.945 -8.236 405 HA THR 70 HA THR 70 8.130 -13.249 -7.908 406 HB THR 70 HB THR 70 7.464 -10.919 -8.599 407 HG1 THR 70 HG1 THR 70 9.248 -10.566 -7.494 408 HG21 THR 70 HG21 THR 70 5.298 -10.885 -7.457 409 HG22 THR 70 HG22 THR 70 6.316 -9.519 -6.986 410 HG23 THR 70 HG23 THR 70 6.137 -10.899 -5.902 411 H ASN 71 H ASN 71 8.726 -12.649 -5.575 412 HA ASN 71 HA ASN 71 6.679 -13.551 -3.662 413 HB2 ASN 71 HB2 ASN 71 9.585 -14.385 -3.770 414 HB3 ASN 71 HB3 ASN 71 8.556 -14.639 -2.365 415 HD21 ASN 71 HD21 ASN 71 6.924 -16.176 -2.459 416 HD22 ASN 71 HD22 ASN 71 6.838 -17.370 -3.711 417 H THR 72 H THR 72 8.104 -10.995 -4.680 418 HA THR 72 HA THR 72 8.484 -9.837 -2.007 419 HB THR 72 HB THR 72 10.015 -8.990 -4.471 420 HG1 THR 72 HG1 THR 72 10.403 -11.125 -2.815 421 HG21 THR 72 HG21 THR 72 9.700 -7.348 -2.639 422 HG22 THR 72 HG22 THR 72 11.389 -7.785 -2.906 423 HG23 THR 72 HG23 THR 72 10.503 -8.470 -1.544 424 H TRP 73 H TRP 73 6.786 -8.504 -1.717 425 HA TRP 73 HA TRP 73 5.666 -7.164 -4.089 426 HB2 TRP 73 HB2 TRP 73 4.356 -7.936 -1.476 427 HB3 TRP 73 HB3 TRP 73 3.561 -7.004 -2.737 428 HD1 TRP 73 HD TRP 73 5.504 -9.367 -4.618 429 HE1 TRP 73 HE1 TRP 73 4.161 -11.469 -5.244 430 HE3 TRP 73 HE3 TRP 73 1.579 -8.788 -1.412 431 HZ2 TRP 73 HZ2 TRP 73 1.756 -12.715 -4.472 432 HZ3 TRP 73 HZ3 TRP 73 -0.207 -10.476 -1.428 433 HH2 TRP 73 HH TRP 73 -0.119 -12.396 -2.924 434 H PHE 74 H PHE 74 5.006 -4.978 -3.942 435 HA PHE 74 HA PHE 74 6.322 -3.479 -1.770 436 HB2 PHE 74 HB2 PHE 74 6.151 -2.442 -4.593 437 HB3 PHE 74 HB3 PHE 74 7.215 -1.914 -3.291 438 HD1 PHE 74 HD2 PHE 74 8.972 -3.656 -2.477 439 HD2 PHE 74 HD1 PHE 74 6.938 -3.875 -6.210 440 HE1 PHE 74 HE2 PHE 74 10.738 -5.133 -3.353 441 HE2 PHE 74 HE1 PHE 74 8.700 -5.348 -7.089 442 HZ PHE 74 HZ PHE 74 10.603 -5.976 -5.661 443 H TYR 75 H TYR 75 4.938 -2.232 -0.689 444 HA TYR 75 HA TYR 75 2.687 -1.001 -2.138 445 HB2 TYR 75 HB2 TYR 75 2.563 -2.239 0.610 446 HB3 TYR 75 HB3 TYR 75 1.259 -1.370 -0.156 447 HD1 TYR 75 HD1 TYR 75 0.330 -2.332 -2.364 448 HD2 TYR 75 HD2 TYR 75 2.785 -4.508 0.330 449 HE1 TYR 75 HE1 TYR 75 -0.483 -4.436 -3.342 450 HE2 TYR 75 HE2 TYR 75 1.986 -6.634 -0.644 451 HH TYR 75 HH TYR 75 0.006 -6.688 -3.519 452 H VAL 76 H VAL 76 1.665 0.749 -0.544 453 HA VAL 76 HA VAL 76 3.951 2.373 0.389 454 HB VAL 76 HB VAL 76 1.324 3.504 -0.564 455 HG11 VAL 76 HG11 VAL 76 2.668 5.510 -0.992 456 HG12 VAL 76 HG12 VAL 76 4.094 4.675 -0.374 457 HG13 VAL 76 HG13 VAL 76 2.736 5.014 0.699 458 HG21 VAL 76 HG21 VAL 76 2.381 3.889 -2.761 459 HG22 VAL 76 HG22 VAL 76 2.149 2.178 -2.408 460 HG23 VAL 76 HG23 VAL 76 3.751 2.901 -2.253 461 H PHE 77 H PHE 77 3.306 4.030 2.108 462 HA PHE 77 HA PHE 77 1.476 2.715 3.989 463 HB2 PHE 77 HB2 PHE 77 4.087 3.632 4.320 464 HB3 PHE 77 HB3 PHE 77 3.089 4.831 5.134 465 HD1 PHE 77 HD2 PHE 77 2.744 1.188 4.725 466 HD2 PHE 77 HD1 PHE 77 3.190 4.439 7.416 467 HE1 PHE 77 HE2 PHE 77 2.479 -0.356 6.623 468 HE2 PHE 77 HE1 PHE 77 2.927 2.907 9.328 469 HZ PHE 77 HZ PHE 77 2.574 0.501 8.929 470 H ARG 78 H ARG 78 0.332 4.177 5.507 471 HA ARG 78 HA ARG 78 -1.322 5.976 4.047 472 HB2 ARG 78 HB2 ARG 78 -1.955 4.568 6.082 473 HB3 ARG 78 HB1 ARG 78 -1.116 5.748 7.056 474 HG2 ARG 78 HG2 ARG 78 -3.350 6.562 5.251 475 HG3 ARG 78 HG1 ARG 78 -3.658 5.884 6.844 476 HD2 ARG 78 HD2 ARG 78 -2.013 8.336 6.254 477 HD3 ARG 78 HD1 ARG 78 -3.656 8.317 6.883 478 HE ARG 78 HE ARG 78 -1.437 7.087 8.388 479 HH11 ARG 78 HH11 ARG 78 -4.212 9.219 8.200 480 HH12 ARG 78 HH12 ARG 78 -4.079 9.744 9.854 481 HH21 ARG 78 HH21 ARG 78 -1.261 7.764 10.559 482 HH22 ARG 78 HH22 ARG 78 -2.385 8.927 11.192 483 H GLN 79 H GLN 79 -1.450 8.178 4.115 484 HA GLN 79 HA GLN 79 0.557 9.856 3.894 485 HB2 GLN 79 HB2 GLN 79 -1.699 10.553 3.592 486 HB3 GLN 79 HB3 GLN 79 -2.027 10.390 5.304 487 HG2 GLN 79 HG2 GLN 79 -0.457 12.242 5.750 488 HG3 GLN 79 HG3 GLN 79 -0.245 12.438 4.011 489 HE21 GLN 79 HE21 GLN 79 -1.063 14.520 4.022 490 HE22 GLN 79 HE22 GLN 79 -2.750 14.852 4.247 491 H GLN 80 H GLN 80 2.386 9.730 5.068 492 HA GLN 80 HA GLN 80 2.347 10.034 7.965 493 HB2 GLN 80 HB2 GLN 80 4.644 9.752 6.041 494 HB3 GLN 80 HB3 GLN 80 4.749 9.676 7.785 495 HG2 GLN 80 HG2 GLN 80 3.093 7.759 6.184 496 HG3 GLN 80 HG3 GLN 80 4.788 7.474 6.559 497 HE21 GLN 80 HE21 GLN 80 4.418 5.693 7.861 498 HE22 GLN 80 HE22 GLN 80 3.623 5.789 9.392 499 HA PRO 81 HA PRO 81 3.149 14.348 8.067 500 HB2 PRO 81 HB2 PRO 81 4.924 13.914 10.352 501 HB3 PRO 81 HB3 PRO 81 3.328 14.667 10.310 502 HG2 PRO 81 HG2 PRO 81 3.773 12.260 11.465 503 HG3 PRO 81 HG3 PRO 81 2.235 12.680 10.688 504 HD2 PRO 81 HD2 PRO 81 4.498 11.027 9.628 505 HD3 PRO 81 HD3 PRO 81 2.758 10.755 9.483 506 H GLY 82 H GLY 82 4.397 15.050 6.427 507 HA2 GLY 82 HA3 GLY 82 7.012 14.093 5.886 508 HA3 GLY 82 HA2 GLY 82 6.240 15.477 5.131 509 H HIS 83 H HIS 83 8.754 14.495 7.044 510 HA HIS 83 HA HIS 83 9.241 17.274 7.880 511 HB2 HIS 83 HB2 HIS 83 9.730 14.729 9.409 512 HB3 HIS 83 HB1 HIS 83 10.665 16.180 9.747 513 HD1 HIS 83 HD1 HIS 83 8.082 14.514 11.255 514 HD2 HIS 83 HD2 HIS 83 8.454 18.438 9.925 515 HE1 HIS 83 HE1 HIS 83 6.370 15.832 12.538 516 HE2 HIS 83 HE2 HIS 83 6.532 18.183 11.637 517 H GLU 84 H GLU 84 10.146 14.884 5.855 518 HA GLU 84 HA GLU 84 12.858 15.928 5.566 519 HB2 GLU 84 HB2 GLU 84 12.761 13.786 7.028 520 HB3 GLU 84 HB3 GLU 84 12.396 12.955 5.516 521 HG2 GLU 84 HG2 GLU 84 14.481 13.705 4.564 522 HG3 GLU 84 HG3 GLU 84 14.831 14.659 6.002 523 H GLY 85 H GLY 85 13.831 14.705 3.493 524 HA2 GLY 85 HA3 GLY 85 12.397 15.397 1.239 525 HA3 GLY 85 HA2 GLY 85 13.654 14.167 1.261 526 H VAL 86 H VAL 86 12.753 12.082 2.493 527 HA VAL 86 HA VAL 86 9.995 11.603 1.593 528 HB VAL 86 HB VAL 86 12.128 9.501 1.804 529 HG11 VAL 86 HG11 VAL 86 9.367 9.375 0.615 530 HG12 VAL 86 HG12 VAL 86 9.826 8.739 2.198 531 HG13 VAL 86 HG13 VAL 86 10.525 8.045 0.729 532 HG21 VAL 86 HG21 VAL 86 11.003 10.840 -0.649 533 HG22 VAL 86 HG22 VAL 86 12.085 9.444 -0.659 534 HG23 VAL 86 HG23 VAL 86 12.650 10.996 -0.039 535 H THR 87 H THR 87 8.663 10.623 3.031 536 HA THR 87 HA THR 87 9.764 9.884 5.635 537 HB THR 87 HB THR 87 8.840 12.175 5.795 538 HG1 THR 87 HG1 THR 87 7.541 10.060 7.180 539 HG21 THR 87 HG21 THR 87 7.126 11.979 4.054 540 HG22 THR 87 HG22 THR 87 6.432 12.538 5.576 541 HG23 THR 87 HG23 THR 87 6.217 10.860 5.072 542 H GLN 88 H GLN 88 8.211 8.807 3.035 543 HA GLN 88 HA GLN 88 6.088 7.316 4.237 544 HB2 GLN 88 HB2 GLN 88 7.393 7.364 1.536 545 HB3 GLN 88 HB3 GLN 88 6.243 6.126 1.967 546 HG2 GLN 88 HG2 GLN 88 5.444 8.915 2.402 547 HG3 GLN 88 HG3 GLN 88 5.541 8.347 0.751 548 HE21 GLN 88 HE21 GLN 88 4.598 6.437 3.503 549 HE22 GLN 88 HE22 GLN 88 2.965 6.194 2.999 550 H GLN 89 H GLN 89 6.079 4.937 3.814 551 HA GLN 89 HA GLN 89 8.652 3.650 3.802 552 HB2 GLN 89 HB2 GLN 89 7.930 2.203 5.781 553 HB3 GLN 89 HB3 GLN 89 8.509 3.822 6.133 554 HG2 GLN 89 HG2 GLN 89 6.174 4.583 6.317 555 HG3 GLN 89 HG3 GLN 89 5.641 2.923 6.054 556 HE21 GLN 89 HE21 GLN 89 7.871 1.807 7.555 557 HE22 GLN 89 HE22 GLN 89 7.519 2.079 9.231 558 H THR 90 H THR 90 8.589 1.882 2.627 559 HA THR 90 HA THR 90 6.051 1.175 1.440 560 HB THR 90 HB THR 90 7.607 -0.242 -0.024 561 HG1 THR 90 HG1 THR 90 9.376 0.078 1.627 562 HG21 THR 90 HG21 THR 90 8.522 2.039 -1.002 563 HG22 THR 90 HG22 THR 90 7.346 2.704 0.122 564 HG23 THR 90 HG23 THR 90 6.831 1.579 -1.137 565 H LEU 91 H LEU 91 5.122 -0.790 1.506 566 HA LEU 91 HA LEU 91 6.054 -2.617 3.572 567 HB2 LEU 91 HB2 LEU 91 3.621 -1.980 3.340 568 HB3 LEU 91 HB3 LEU 91 3.612 -2.873 1.833 569 HG LEU 91 HG LEU 91 4.448 -4.858 3.231 570 HD11 LEU 91 HD11 LEU 91 3.498 -4.735 5.570 571 HD12 LEU 91 HD12 LEU 91 3.476 -2.978 5.351 572 HD13 LEU 91 HD13 LEU 91 5.005 -3.856 5.273 573 HD21 LEU 91 HD21 LEU 91 2.179 -5.498 3.875 574 HD22 LEU 91 HD22 LEU 91 2.255 -4.840 2.233 575 HD23 LEU 91 HD23 LEU 91 1.633 -3.845 3.552 576 H THR 92 H THR 92 7.529 -4.025 2.990 577 HA THR 92 HA THR 92 7.491 -5.099 0.251 578 HB THR 92 HB THR 92 9.727 -5.289 2.286 579 HG1 THR 92 HG1 THR 92 8.966 -3.119 1.161 580 HG21 THR 92 HG21 THR 92 9.728 -7.006 0.515 581 HG22 THR 92 HG22 THR 92 11.093 -5.896 0.358 582 HG23 THR 92 HG23 THR 92 9.691 -5.732 -0.703 583 H LEU 93 H LEU 93 6.298 -6.915 0.211 584 HA LEU 93 HA LEU 93 6.075 -8.432 2.675 585 HB2 LEU 93 HB2 LEU 93 4.155 -7.769 0.971 586 HB3 LEU 93 HB3 LEU 93 4.649 -9.276 0.206 587 HG LEU 93 HG LEU 93 4.307 -10.401 2.387 588 HD11 LEU 93 HD11 LEU 93 2.724 -8.865 3.847 589 HD12 LEU 93 HD12 LEU 93 3.725 -7.605 3.136 590 HD13 LEU 93 HD13 LEU 93 4.466 -8.904 4.072 591 HD21 LEU 93 HD21 LEU 93 1.774 -9.022 1.787 592 HD22 LEU 93 HD22 LEU 93 2.097 -10.736 2.033 593 HD23 LEU 93 HD23 LEU 93 2.527 -9.958 0.504 594 H THR 94 H THR 94 7.151 -10.239 3.078 595 HA THR 94 HA THR 94 8.782 -11.357 0.950 596 HB THR 94 HB THR 94 9.026 -11.356 3.954 597 HG1 THR 94 HG1 THR 94 10.223 -9.662 3.565 598 HG21 THR 94 HG21 THR 94 9.703 -13.483 3.115 599 HG22 THR 94 HG22 THR 94 11.127 -12.570 3.619 600 HG23 THR 94 HG23 THR 94 10.735 -12.733 1.903 601 H PHE 95 H PHE 95 8.213 -13.239 0.148 602 HA PHE 95 HA PHE 95 6.541 -15.077 1.736 603 HB2 PHE 95 HB2 PHE 95 6.638 -14.544 -1.225 604 HB3 PHE 95 HB3 PHE 95 5.912 -16.000 -0.567 605 HD1 PHE 95 HD2 PHE 95 3.990 -15.794 0.954 606 HD2 PHE 95 HD1 PHE 95 5.478 -12.490 -1.243 607 HE1 PHE 95 HE2 PHE 95 1.864 -14.631 1.306 608 HE2 PHE 95 HE1 PHE 95 3.349 -11.306 -0.899 609 HZ PHE 95 HZ PHE 95 1.542 -12.389 0.382 610 H ASN 96 H ASN 96 7.194 -17.128 2.001 611 HA ASN 96 HA ASN 96 9.885 -17.839 1.312 612 HB2 ASN 96 HB2 ASN 96 9.383 -19.977 2.444 613 HB3 ASN 96 HB3 ASN 96 8.974 -18.581 3.424 614 HD21 ASN 96 HD21 ASN 96 7.555 -19.704 4.686 615 HD22 ASN 96 HD22 ASN 96 6.021 -20.264 4.118 616 H SER 97 H SER 97 9.875 -20.478 0.666 617 HA SER 97 HA SER 97 9.695 -20.442 -2.097 618 HB2 SER 97 HB2 SER 97 9.630 -22.856 -0.274 619 HB3 SER 97 HB3 SER 97 10.044 -22.873 -1.988 620 HG SER 97 HG SER 97 11.460 -21.654 0.150 621 H SER 98 H SER 98 7.258 -21.474 0.257 622 HA SER 98 HA SER 98 5.666 -22.750 -1.794 623 HB2 SER 98 HB2 SER 98 5.873 -23.696 0.502 624 HB3 SER 98 HB3 SER 98 5.037 -22.281 1.133 625 HG SER 98 HG SER 98 3.717 -23.555 -0.924 626 H GLY 99 H GLY 99 6.139 -19.625 -0.904 627 HA2 GLY 99 HA3 GLY 99 4.985 -17.726 -1.571 628 HA3 GLY 99 HA2 GLY 99 3.681 -18.756 -2.146 629 H VAL 100 H VAL 100 5.004 -18.938 1.063 630 HA VAL 100 HA VAL 100 2.428 -18.019 2.152 631 HB VAL 100 HB VAL 100 4.554 -19.581 3.618 632 HG11 VAL 100 HG11 VAL 100 1.603 -19.223 4.121 633 HG12 VAL 100 HG12 VAL 100 2.915 -18.465 5.021 634 HG13 VAL 100 HG13 VAL 100 2.698 -20.214 5.086 635 HG21 VAL 100 HG21 VAL 100 2.262 -20.630 1.970 636 HG22 VAL 100 HG22 VAL 100 3.142 -21.595 3.155 637 HG23 VAL 100 HG23 VAL 100 3.985 -20.946 1.745 638 H LEU 101 H LEU 101 2.398 -16.363 3.674 639 HA LEU 101 HA LEU 101 4.469 -14.489 3.630 640 HB2 LEU 101 HB2 LEU 101 1.897 -14.815 4.984 641 HB3 LEU 101 HB3 LEU 101 3.064 -13.841 5.863 642 HG LEU 101 HG LEU 101 2.078 -13.371 3.071 643 HD11 LEU 101 HD11 LEU 101 1.753 -11.786 5.598 644 HD12 LEU 101 HD12 LEU 101 0.498 -12.768 4.844 645 HD13 LEU 101 HD13 LEU 101 1.123 -11.340 4.014 646 HD21 LEU 101 HD21 LEU 101 4.048 -11.780 4.674 647 HD22 LEU 101 HD22 LEU 101 3.456 -11.393 3.060 648 HD23 LEU 101 HD23 LEU 101 4.455 -12.829 3.319 649 H THR 102 H THR 102 6.284 -14.440 4.583 650 HA THR 102 HA THR 102 6.655 -15.876 7.126 651 HB THR 102 HB THR 102 8.987 -16.041 6.623 652 HG1 THR 102 HG1 THR 102 9.985 -14.744 5.200 653 HG21 THR 102 HG21 THR 102 7.313 -17.440 5.278 654 HG22 THR 102 HG22 THR 102 8.974 -17.360 4.686 655 HG23 THR 102 HG23 THR 102 7.716 -16.375 3.933 656 H ASN 103 H ASN 103 7.271 -12.875 5.394 657 HA ASN 103 HA ASN 103 7.396 -11.491 7.993 658 HB2 ASN 103 HB2 ASN 103 9.333 -11.168 5.721 659 HB3 ASN 103 HB3 ASN 103 9.090 -9.917 6.913 660 HD21 ASN 103 HD21 ASN 103 11.183 -9.999 7.580 661 HD22 ASN 103 HD22 ASN 103 11.822 -11.295 8.533 662 H ILE 104 H ILE 104 6.754 -9.380 7.979 663 HA ILE 104 HA ILE 104 5.676 -8.291 5.456 664 HB ILE 104 HB ILE 104 4.946 -7.155 8.138 665 HG12 ILE 104 HG12 ILE 104 4.384 -9.580 8.261 666 HG13 ILE 104 HG13 ILE 104 2.988 -8.522 8.381 667 HG21 ILE 104 HG21 ILE 104 3.547 -7.200 5.466 668 HG22 ILE 104 HG22 ILE 104 4.394 -5.849 6.211 669 HG23 ILE 104 HG23 ILE 104 2.908 -6.463 6.935 670 HD11 ILE 104 HD11 ILE 104 2.624 -8.980 5.918 671 HD12 ILE 104 HD12 ILE 104 2.328 -10.308 7.045 672 HD13 ILE 104 HD13 ILE 104 3.821 -10.267 6.097 673 H ASP 105 H ASP 105 7.637 -7.322 4.804 674 HA ASP 105 HA ASP 105 9.260 -6.015 6.801 675 HB2 ASP 105 HB2 ASP 105 9.590 -6.594 3.874 676 HB3 ASP 105 HB3 ASP 105 10.674 -5.486 4.697 677 H ASN 106 H ASN 106 8.174 -4.223 7.474 678 HA ASN 106 HA ASN 106 7.508 -2.242 5.433 679 HB2 ASN 106 HB2 ASN 106 5.699 -2.670 6.936 680 HB3 ASN 106 HB3 ASN 106 6.727 -2.454 8.343 681 HD21 ASN 106 HD21 ASN 106 5.302 -0.895 9.139 682 HD22 ASN 106 HD22 ASN 106 5.261 0.707 8.495 683 H LYS 107 H LYS 107 9.195 -1.175 4.910 684 HA LYS 107 HA LYS 107 10.910 -0.012 6.992 685 HB2 LYS 107 HB2 LYS 107 11.691 -1.275 4.380 686 HB3 LYS 107 HB1 LYS 107 12.761 -0.189 5.242 687 HG2 LYS 107 HG2 LYS 107 13.331 -1.743 6.726 688 HG3 LYS 107 HG1 LYS 107 11.664 -2.284 6.908 689 HD2 LYS 107 HD2 LYS 107 11.827 -3.693 4.993 690 HD3 LYS 107 HD1 LYS 107 13.379 -2.989 4.533 691 HE2 LYS 107 HE2 LYS 107 14.427 -3.941 6.499 692 HE3 LYS 107 HE1 LYS 107 12.876 -4.568 7.053 693 HZ1 LYS 107 HZ1 LYS 107 12.864 -6.207 5.457 694 HZ2 LYS 107 HZ2 LYS 107 14.521 -6.111 5.808 695 HZ3 LYS 107 HZ3 LYS 107 13.905 -5.366 4.410 696 HA PRO 108 HA PRO 108 10.142 3.863 5.265 697 HB2 PRO 108 HB2 PRO 108 12.639 5.029 5.515 698 HB3 PRO 108 HB3 PRO 108 11.436 4.909 6.791 699 HG2 PRO 108 HG2 PRO 108 13.933 3.425 6.422 700 HG3 PRO 108 HG3 PRO 108 12.971 3.652 7.888 701 HD2 PRO 108 HD2 PRO 108 13.121 1.323 6.309 702 HD3 PRO 108 HD3 PRO 108 11.966 1.642 7.602 703 H ALA 109 H ALA 109 10.231 5.051 3.414 704 HA ALA 109 HA ALA 109 11.368 3.775 1.133 705 HB1 ALA 109 HB1 ALA 109 10.091 6.487 1.306 706 HB2 ALA 109 HB2 ALA 109 9.252 4.963 1.029 707 HB3 ALA 109 HB3 ALA 109 10.417 5.553 -0.162 708 H LEU 110 H LEU 110 12.476 5.277 -0.511 709 HA LEU 110 HA LEU 110 15.081 5.466 0.625 710 HB2 LEU 110 HB2 LEU 110 14.389 6.337 -2.148 711 HB3 LEU 110 HB3 LEU 110 15.860 5.595 -1.544 712 HG LEU 110 HG LEU 110 13.199 4.167 -1.744 713 HD11 LEU 110 HD11 LEU 110 15.598 3.804 -3.525 714 HD12 LEU 110 HD12 LEU 110 14.260 4.873 -3.945 715 HD13 LEU 110 HD13 LEU 110 13.976 3.145 -3.737 716 HD21 LEU 110 HD21 LEU 110 14.864 3.347 -0.052 717 HD22 LEU 110 HD22 LEU 110 15.973 3.041 -1.394 718 HD23 LEU 110 HD23 LEU 110 14.437 2.179 -1.303 719 H SER 111 H SER 111 15.369 7.142 1.914 720 HA SER 111 HA SER 111 15.107 9.819 0.763 721 HB2 SER 111 HB2 SER 111 13.518 9.337 2.668 722 HB3 SER 111 HB3 SER 111 14.926 9.132 3.705 723 HG SER 111 HG SER 111 14.769 11.205 3.994 724 H GLY 112 H GLY 112 17.227 7.585 1.150 725 HA2 GLY 112 HA3 GLY 112 19.549 8.866 0.921 726 HA3 GLY 112 HA2 GLY 112 19.290 8.969 2.651 727 H ASN 113 H ASN 113 20.835 7.288 0.382 728 HA ASN 113 HA ASN 113 20.958 4.876 2.050 729 HB2 ASN 113 HB2 ASN 113 20.540 4.955 -0.939 730 HB3 ASN 113 HB3 ASN 113 21.204 3.544 -0.126 731 HD21 ASN 113 HD21 ASN 113 18.759 3.808 -1.642 732 HD22 ASN 113 HD22 ASN 113 17.472 3.366 -0.575 Start of MODEL 4 1 H1 GLY 17 H1 GLY 17 -35.828 17.661 -14.546 2 H2 GLY 17 H2 GLY 17 -35.354 16.143 -15.127 3 H3 GLY 17 H3 GLY 17 -34.427 17.517 -15.492 4 HA2 GLY 17 HA2 GLY 17 -33.363 16.194 -13.774 5 HA3 GLY 17 HA3 GLY 17 -33.826 17.785 -13.185 6 H SER 18 H SER 18 -33.478 16.283 -11.156 7 HA SER 18 HA SER 18 -35.737 14.634 -10.508 8 HB2 SER 18 HB2 SER 18 -33.493 15.683 -8.769 9 HB3 SER 18 HB3 SER 18 -34.677 14.472 -8.278 10 HG SER 18 HG SER 18 -33.681 13.008 -9.418 11 H HIS 19 H HIS 19 -34.982 17.959 -10.313 12 HA HIS 19 HA HIS 19 -36.367 19.728 -9.991 13 HB2 HIS 19 HB2 HIS 19 -38.244 18.302 -10.704 14 HB3 HIS 19 HB1 HIS 19 -38.428 17.721 -9.055 15 HD1 HIS 19 HD1 HIS 19 -40.244 18.854 -7.831 16 HD2 HIS 19 HD2 HIS 19 -38.549 21.327 -10.718 17 HE1 HIS 19 HE1 HIS 19 -41.570 20.991 -7.762 18 HE2 HIS 19 HE2 HIS 19 -40.649 22.392 -9.643 19 H MET 20 H MET 20 -35.730 17.436 -7.487 20 HA MET 20 HA MET 20 -35.487 19.635 -5.601 21 HB2 MET 20 HB2 MET 20 -37.756 18.830 -5.224 22 HB3 MET 20 HB3 MET 20 -37.162 17.185 -5.039 23 HG2 MET 20 HG2 MET 20 -37.659 18.162 -2.883 24 HG3 MET 20 HG3 MET 20 -35.932 17.847 -3.038 25 HE1 MET 20 HE1 MET 20 -36.034 21.063 -0.804 26 HE2 MET 20 HE2 MET 20 -35.399 19.426 -0.964 27 HE3 MET 20 HE3 MET 20 -37.133 19.686 -0.776 28 H SER 21 H SER 21 -33.622 19.486 -4.588 29 HA SER 21 HA SER 21 -31.755 18.693 -3.587 30 HB2 SER 21 HB2 SER 21 -33.378 16.162 -3.228 31 HB3 SER 21 HB3 SER 21 -31.931 16.608 -2.325 32 HG SER 21 HG SER 21 -33.068 18.375 -1.464 33 H THR 22 H THR 22 -31.744 18.568 -6.354 34 HA THR 22 HA THR 22 -30.791 15.956 -7.170 35 HB THR 22 HB THR 22 -30.732 18.484 -8.816 36 HG1 THR 22 HG1 THR 22 -32.854 18.302 -8.223 37 HG21 THR 22 HG21 THR 22 -29.504 16.562 -9.715 38 HG22 THR 22 HG22 THR 22 -30.925 16.928 -10.695 39 HG23 THR 22 HG23 THR 22 -30.955 15.568 -9.571 40 H LEU 23 H LEU 23 -29.456 19.238 -6.827 41 HA LEU 23 HA LEU 23 -26.829 18.251 -7.646 42 HB2 LEU 23 HB2 LEU 23 -27.763 21.063 -7.063 43 HB3 LEU 23 HB3 LEU 23 -26.207 20.620 -7.742 44 HG LEU 23 HG LEU 23 -28.895 20.221 -9.057 45 HD11 LEU 23 HD11 LEU 23 -28.214 22.546 -9.017 46 HD12 LEU 23 HD12 LEU 23 -28.097 21.890 -10.650 47 HD13 LEU 23 HD13 LEU 23 -26.638 22.114 -9.683 48 HD21 LEU 23 HD21 LEU 23 -27.583 19.548 -11.021 49 HD22 LEU 23 HD22 LEU 23 -27.382 18.438 -9.665 50 HD23 LEU 23 HD23 LEU 23 -26.115 19.607 -10.044 51 H GLU 24 H GLU 24 -28.474 18.476 -4.831 52 HA GLU 24 HA GLU 24 -26.173 19.382 -3.263 53 HB2 GLU 24 HB2 GLU 24 -29.025 18.909 -2.380 54 HB3 GLU 24 HB3 GLU 24 -27.738 19.609 -1.403 55 HG2 GLU 24 HG2 GLU 24 -27.579 21.477 -2.989 56 HG3 GLU 24 HG3 GLU 24 -28.916 20.789 -3.908 57 H ARG 25 H ARG 25 -27.155 16.584 -4.492 58 HA ARG 25 HA ARG 25 -26.072 15.073 -2.218 59 HB2 ARG 25 HB2 ARG 25 -28.424 14.264 -3.937 60 HB3 ARG 25 HB1 ARG 25 -27.631 13.212 -2.773 61 HG2 ARG 25 HG2 ARG 25 -28.260 14.748 -0.969 62 HG3 ARG 25 HG1 ARG 25 -29.070 15.784 -2.145 63 HD2 ARG 25 HD2 ARG 25 -30.540 13.884 -2.737 64 HD3 ARG 25 HD1 ARG 25 -29.773 12.933 -1.467 65 HE ARG 25 HE ARG 25 -30.603 15.131 -0.146 66 HH11 ARG 25 HH11 ARG 25 -32.197 12.870 -2.271 67 HH12 ARG 25 HH12 ARG 25 -33.764 13.078 -1.551 68 HH21 ARG 25 HH21 ARG 25 -32.650 15.414 0.834 69 HH22 ARG 25 HH22 ARG 25 -34.026 14.567 0.193 70 H VAL 26 H VAL 26 -24.108 14.559 -2.986 71 HA VAL 26 HA VAL 26 -23.754 13.919 -5.782 72 HB VAL 26 HB VAL 26 -21.305 13.570 -5.022 73 HG11 VAL 26 HG11 VAL 26 -22.092 15.491 -6.290 74 HG12 VAL 26 HG12 VAL 26 -20.918 15.990 -5.072 75 HG13 VAL 26 HG13 VAL 26 -22.639 16.264 -4.803 76 HG21 VAL 26 HG21 VAL 26 -22.410 15.010 -2.606 77 HG22 VAL 26 HG22 VAL 26 -20.701 14.785 -2.973 78 HG23 VAL 26 HG23 VAL 26 -21.716 13.387 -2.619 79 H VAL 27 H VAL 27 -21.976 12.155 -3.318 80 HA VAL 27 HA VAL 27 -23.449 9.735 -3.589 81 HB VAL 27 HB VAL 27 -22.037 10.114 -5.734 82 HG11 VAL 27 HG11 VAL 27 -19.957 10.703 -4.661 83 HG12 VAL 27 HG12 VAL 27 -19.761 9.249 -5.643 84 HG13 VAL 27 HG13 VAL 27 -19.887 9.119 -3.888 85 HG21 VAL 27 HG21 VAL 27 -23.237 8.041 -5.192 86 HG22 VAL 27 HG22 VAL 27 -21.828 7.474 -4.295 87 HG23 VAL 27 HG23 VAL 27 -21.719 7.738 -6.034 88 H TYR 28 H TYR 28 -22.027 7.884 -2.556 89 HA TYR 28 HA TYR 28 -21.267 8.525 0.029 90 HB2 TYR 28 HB2 TYR 28 -21.801 6.250 -0.893 91 HB3 TYR 28 HB3 TYR 28 -20.199 6.217 -1.609 92 HD1 TYR 28 HD2 TYR 28 -22.021 6.383 1.597 93 HD2 TYR 28 HD1 TYR 28 -18.325 5.550 -0.327 94 HE1 TYR 28 HE2 TYR 28 -21.148 5.440 3.697 95 HE2 TYR 28 HE1 TYR 28 -17.439 4.604 1.764 96 HH TYR 28 HH TYR 28 -17.870 4.778 4.211 97 H ARG 29 H ARG 29 -19.378 9.086 1.001 98 HA ARG 29 HA ARG 29 -17.301 10.089 -0.793 99 HB2 ARG 29 HB2 ARG 29 -17.893 10.681 2.113 100 HB3 ARG 29 HB1 ARG 29 -16.577 11.402 1.196 101 HG2 ARG 29 HG2 ARG 29 -18.102 12.530 -0.245 102 HG3 ARG 29 HG1 ARG 29 -19.476 11.660 0.439 103 HD2 ARG 29 HD2 ARG 29 -19.348 13.926 1.314 104 HD3 ARG 29 HD1 ARG 29 -19.101 12.740 2.592 105 HE ARG 29 HE ARG 29 -16.645 13.687 1.433 106 HH11 ARG 29 HH11 ARG 29 -19.117 14.334 3.829 107 HH12 ARG 29 HH12 ARG 29 -18.080 15.329 4.812 108 HH21 ARG 29 HH21 ARG 29 -15.283 14.997 2.711 109 HH22 ARG 29 HH22 ARG 29 -15.911 15.735 4.159 110 HA PRO 30 HA PRO 30 -14.729 6.543 0.353 111 HB2 PRO 30 HB2 PRO 30 -12.832 8.291 -1.132 112 HB3 PRO 30 HB3 PRO 30 -13.161 6.570 -1.316 113 HG2 PRO 30 HG2 PRO 30 -14.087 8.324 -3.081 114 HG3 PRO 30 HG3 PRO 30 -15.034 6.911 -2.591 115 HD2 PRO 30 HD2 PRO 30 -15.364 9.751 -1.819 116 HD3 PRO 30 HD3 PRO 30 -16.582 8.497 -2.070 117 H ASP 31 H ASP 31 -13.081 6.298 1.856 118 HA ASP 31 HA ASP 31 -12.811 8.309 3.791 119 HB2 ASP 31 HB2 ASP 31 -11.271 5.760 3.361 120 HB3 ASP 31 HB3 ASP 31 -11.064 6.799 4.766 121 H ILE 32 H ILE 32 -10.189 6.833 2.077 122 HA ILE 32 HA ILE 32 -8.603 9.236 2.285 123 HB ILE 32 HB ILE 32 -7.897 6.595 1.009 124 HG12 ILE 32 HG12 ILE 32 -8.500 6.436 3.406 125 HG13 ILE 32 HG13 ILE 32 -6.801 6.102 3.119 126 HG21 ILE 32 HG21 ILE 32 -5.568 7.456 1.526 127 HG22 ILE 32 HG22 ILE 32 -6.311 9.039 1.726 128 HG23 ILE 32 HG23 ILE 32 -6.404 8.208 0.170 129 HD11 ILE 32 HD11 ILE 32 -7.255 7.515 5.094 130 HD12 ILE 32 HD12 ILE 32 -7.850 8.766 4.010 131 HD13 ILE 32 HD13 ILE 32 -6.165 8.246 3.922 132 H ASN 33 H ASN 33 -7.952 10.511 0.642 133 HA ASN 33 HA ASN 33 -9.512 10.524 -1.785 134 HB2 ASN 33 HB2 ASN 33 -7.106 12.237 -1.112 135 HB3 ASN 33 HB3 ASN 33 -8.355 12.583 -2.297 136 HD21 ASN 33 HD21 ASN 33 -7.567 12.464 1.078 137 HD22 ASN 33 HD22 ASN 33 -8.916 13.390 1.637 138 H GLN 34 H GLN 34 -6.295 9.738 -0.760 139 HA GLN 34 HA GLN 34 -5.473 9.070 -3.471 140 HB2 GLN 34 HB2 GLN 34 -3.220 8.859 -2.469 141 HB3 GLN 34 HB3 GLN 34 -3.925 10.455 -2.277 142 HG2 GLN 34 HG2 GLN 34 -4.602 9.792 0.034 143 HG3 GLN 34 HG3 GLN 34 -3.693 8.300 -0.196 144 HE21 GLN 34 HE21 GLN 34 -1.470 8.375 -0.353 145 HE22 GLN 34 HE22 GLN 34 -0.558 9.739 0.195 146 H GLY 35 H GLY 35 -7.369 7.448 -2.511 147 HA2 GLY 35 HA3 GLY 35 -6.109 5.077 -1.390 148 HA3 GLY 35 HA2 GLY 35 -7.834 5.319 -1.620 149 H ASN 36 H ASN 36 -5.238 5.720 -3.976 150 HA ASN 36 HA ASN 36 -6.594 3.876 -5.770 151 HB2 ASN 36 HB2 ASN 36 -4.891 4.623 -7.434 152 HB3 ASN 36 HB3 ASN 36 -5.839 5.943 -6.775 153 HD21 ASN 36 HD21 ASN 36 -3.215 5.875 -8.045 154 HD22 ASN 36 HD22 ASN 36 -2.155 6.646 -6.920 155 H TYR 37 H TYR 37 -3.881 4.024 -3.674 156 HA TYR 37 HA TYR 37 -3.139 1.312 -4.486 157 HB2 TYR 37 HB2 TYR 37 -0.860 1.956 -3.461 158 HB3 TYR 37 HB3 TYR 37 -1.248 2.563 -5.060 159 HD1 TYR 37 HD2 TYR 37 -1.872 3.672 -1.532 160 HD2 TYR 37 HD1 TYR 37 -0.522 4.708 -5.431 161 HE1 TYR 37 HE2 TYR 37 -1.435 5.962 -0.764 162 HE2 TYR 37 HE1 TYR 37 -0.075 7.002 -4.671 163 HH TYR 37 HH TYR 37 -0.846 8.533 -2.885 164 H LEU 38 H LEU 38 -1.499 0.717 -2.336 165 HA LEU 38 HA LEU 38 -3.453 0.125 -0.335 166 HB2 LEU 38 HB2 LEU 38 -1.563 -1.383 -1.047 167 HB3 LEU 38 HB3 LEU 38 -0.474 -0.315 -0.178 168 HG LEU 38 HG LEU 38 -2.071 -0.799 1.834 169 HD11 LEU 38 HD11 LEU 38 -3.776 -1.957 0.641 170 HD12 LEU 38 HD12 LEU 38 -2.971 -3.108 1.704 171 HD13 LEU 38 HD13 LEU 38 -2.610 -3.093 -0.021 172 HD21 LEU 38 HD21 LEU 38 0.269 -1.448 1.770 173 HD22 LEU 38 HD22 LEU 38 -0.144 -2.867 0.808 174 HD23 LEU 38 HD23 LEU 38 -0.726 -2.728 2.467 175 H THR 39 H THR 39 -3.221 0.628 1.916 176 HA THR 39 HA THR 39 -1.458 2.876 2.557 177 HB THR 39 HB THR 39 -3.073 3.777 4.094 178 HG1 THR 39 HG1 THR 39 -4.780 1.590 3.333 179 HG21 THR 39 HG21 THR 39 -3.288 4.002 1.481 180 HG22 THR 39 HG22 THR 39 -4.467 4.732 2.571 181 HG23 THR 39 HG23 THR 39 -4.830 3.200 1.772 182 H ALA 40 H ALA 40 -1.311 2.985 5.123 183 HA ALA 40 HA ALA 40 -0.128 0.504 5.951 184 HB1 ALA 40 HB1 ALA 40 -0.750 2.964 7.570 185 HB2 ALA 40 HB2 ALA 40 0.766 2.616 6.736 186 HB3 ALA 40 HB3 ALA 40 0.255 1.613 8.094 187 H ASN 41 H ASN 41 -3.176 2.085 6.458 188 HA ASN 41 HA ASN 41 -4.261 0.632 8.565 189 HB2 ASN 41 HB2 ASN 41 -5.733 1.493 6.064 190 HB3 ASN 41 HB3 ASN 41 -6.417 1.241 7.648 191 HD21 ASN 41 HD21 ASN 41 -4.813 3.350 5.573 192 HD22 ASN 41 HD22 ASN 41 -4.738 4.711 6.640 193 H ASP 42 H ASP 42 -4.190 -0.020 5.130 194 HA ASP 42 HA ASP 42 -5.607 -2.457 5.213 195 HB2 ASP 42 HB2 ASP 42 -3.654 -1.433 3.152 196 HB3 ASP 42 HB3 ASP 42 -4.695 -2.833 2.936 197 H VAL 43 H VAL 43 -2.261 -1.665 5.753 198 HA VAL 43 HA VAL 43 -1.189 -4.264 5.481 199 HB VAL 43 HB VAL 43 -0.267 -1.980 7.232 200 HG11 VAL 43 HG11 VAL 43 1.156 -4.519 6.476 201 HG12 VAL 43 HG12 VAL 43 0.527 -4.126 8.084 202 HG13 VAL 43 HG13 VAL 43 1.851 -3.178 7.397 203 HG21 VAL 43 HG21 VAL 43 1.066 -2.961 4.774 204 HG22 VAL 43 HG22 VAL 43 1.173 -1.373 5.533 205 HG23 VAL 43 HG23 VAL 43 -0.284 -1.836 4.648 206 H SER 44 H SER 44 -2.729 -2.570 8.146 207 HA SER 44 HA SER 44 -2.388 -4.581 10.093 208 HB2 SER 44 HB2 SER 44 -3.033 -2.219 10.533 209 HB3 SER 44 HB3 SER 44 -4.650 -2.591 9.940 210 HG SER 44 HG SER 44 -3.566 -4.246 11.920 211 H LYS 45 H LYS 45 -4.459 -4.300 7.373 212 HA LYS 45 HA LYS 45 -6.489 -6.123 8.179 213 HB2 LYS 45 HB2 LYS 45 -5.596 -5.194 5.468 214 HB3 LYS 45 HB1 LYS 45 -6.993 -6.227 5.737 215 HG2 LYS 45 HG2 LYS 45 -8.102 -4.502 6.983 216 HG3 LYS 45 HG1 LYS 45 -6.659 -3.484 6.942 217 HD2 LYS 45 HD2 LYS 45 -8.304 -2.750 5.288 218 HD3 LYS 45 HD1 LYS 45 -6.835 -3.336 4.512 219 HE2 LYS 45 HE2 LYS 45 -8.070 -5.591 4.415 220 HE3 LYS 45 HE1 LYS 45 -9.525 -4.616 4.653 221 HZ1 LYS 45 HZ1 LYS 45 -9.264 -4.776 2.341 222 HZ2 LYS 45 HZ2 LYS 45 -7.595 -4.493 2.411 223 HZ3 LYS 45 HZ3 LYS 45 -8.675 -3.232 2.723 224 H ILE 46 H ILE 46 -3.344 -6.475 6.631 225 HA ILE 46 HA ILE 46 -3.821 -9.314 6.319 226 HB ILE 46 HB ILE 46 -1.657 -9.460 5.256 227 HG12 ILE 46 HG12 ILE 46 -1.429 -6.453 5.357 228 HG13 ILE 46 HG13 ILE 46 -0.637 -7.506 6.529 229 HG21 ILE 46 HG21 ILE 46 -2.228 -8.322 3.223 230 HG22 ILE 46 HG22 ILE 46 -3.357 -7.283 4.096 231 HG23 ILE 46 HG23 ILE 46 -3.658 -9.018 3.981 232 HD11 ILE 46 HD11 ILE 46 -0.256 -7.966 3.601 233 HD12 ILE 46 HD12 ILE 46 0.792 -8.403 4.960 234 HD13 ILE 46 HD13 ILE 46 0.671 -6.717 4.450 235 H ARG 47 H ARG 47 -1.685 -10.561 6.704 236 HA ARG 47 HA ARG 47 -0.235 -10.083 9.069 237 HB2 ARG 47 HB2 ARG 47 -1.329 -11.775 10.522 238 HB3 ARG 47 HB1 ARG 47 -2.358 -10.384 10.219 239 HG2 ARG 47 HG2 ARG 47 -2.624 -12.771 8.465 240 HG3 ARG 47 HG1 ARG 47 -3.311 -12.816 10.096 241 HD2 ARG 47 HD2 ARG 47 -3.936 -10.869 7.879 242 HD3 ARG 47 HD1 ARG 47 -5.020 -12.070 8.593 243 HE ARG 47 HE ARG 47 -3.953 -9.882 10.245 244 HH11 ARG 47 HH11 ARG 47 -6.659 -11.523 8.767 245 HH12 ARG 47 HH12 ARG 47 -7.853 -10.640 9.667 246 HH21 ARG 47 HH21 ARG 47 -5.515 -8.692 11.420 247 HH22 ARG 47 HH22 ARG 47 -7.203 -9.015 11.159 248 H VAL 48 H VAL 48 1.103 -11.837 9.620 249 HA VAL 48 HA VAL 48 1.933 -13.297 7.326 250 HB VAL 48 HB VAL 48 2.946 -14.040 10.003 251 HG11 VAL 48 HG11 VAL 48 4.257 -13.327 7.389 252 HG12 VAL 48 HG12 VAL 48 3.926 -14.962 7.970 253 HG13 VAL 48 HG13 VAL 48 5.092 -13.945 8.818 254 HG21 VAL 48 HG21 VAL 48 3.291 -11.328 8.774 255 HG22 VAL 48 HG22 VAL 48 4.385 -11.977 10.000 256 HG23 VAL 48 HG23 VAL 48 2.680 -11.710 10.384 257 H GLY 49 H GLY 49 1.871 -15.528 6.986 258 HA2 GLY 49 HA3 GLY 49 1.320 -17.739 7.972 259 HA3 GLY 49 HA2 GLY 49 -0.074 -16.949 8.693 260 H MET 50 H MET 50 -0.805 -15.381 6.385 261 HA MET 50 HA MET 50 -2.043 -17.524 4.888 262 HB2 MET 50 HB2 MET 50 -3.183 -15.585 3.640 263 HB3 MET 50 HB3 MET 50 -3.666 -15.937 5.285 264 HG2 MET 50 HG2 MET 50 -2.463 -14.043 6.104 265 HG3 MET 50 HG3 MET 50 -1.713 -13.770 4.535 266 HE1 MET 50 HE1 MET 50 -3.820 -10.737 4.022 267 HE2 MET 50 HE2 MET 50 -2.238 -11.462 4.350 268 HE3 MET 50 HE3 MET 50 -3.321 -11.068 5.685 269 H THR 51 H THR 51 -2.329 -17.003 2.423 270 HA THR 51 HA THR 51 0.364 -17.379 1.445 271 HB THR 51 HB THR 51 -0.642 -18.201 -0.582 272 HG1 THR 51 HG1 THR 51 -3.184 -18.227 -0.250 273 HG21 THR 51 HG21 THR 51 -1.984 -19.079 1.930 274 HG22 THR 51 HG22 THR 51 -0.597 -19.818 1.127 275 HG23 THR 51 HG23 THR 51 -2.203 -19.910 0.395 276 H GLN 52 H GLN 52 0.426 -16.645 -1.068 277 HA GLN 52 HA GLN 52 0.580 -13.830 -1.103 278 HB2 GLN 52 HB2 GLN 52 0.531 -15.755 -3.427 279 HB3 GLN 52 HB3 GLN 52 1.057 -14.085 -3.471 280 HG2 GLN 52 HG2 GLN 52 2.811 -14.713 -1.784 281 HG3 GLN 52 HG3 GLN 52 2.368 -16.390 -2.085 282 HE21 GLN 52 HE21 GLN 52 3.878 -13.550 -3.372 283 HE22 GLN 52 HE22 GLN 52 4.627 -14.315 -4.729 284 H GLN 53 H GLN 53 -1.797 -16.174 -2.296 285 HA GLN 53 HA GLN 53 -3.243 -14.241 -3.809 286 HB2 GLN 53 HB2 GLN 53 -5.012 -15.874 -3.972 287 HB3 GLN 53 HB3 GLN 53 -3.470 -16.633 -4.270 288 HG2 GLN 53 HG2 GLN 53 -3.545 -17.795 -2.295 289 HG3 GLN 53 HG3 GLN 53 -4.741 -16.724 -1.577 290 HE21 GLN 53 HE21 GLN 53 -6.890 -16.961 -2.116 291 HE22 GLN 53 HE22 GLN 53 -7.505 -18.367 -2.923 292 H GLN 54 H GLN 54 -3.475 -15.448 -0.548 293 HA GLN 54 HA GLN 54 -5.840 -14.215 0.249 294 HB2 GLN 54 HB2 GLN 54 -3.377 -14.400 1.963 295 HB3 GLN 54 HB3 GLN 54 -5.054 -14.397 2.493 296 HG2 GLN 54 HG2 GLN 54 -4.196 -16.509 0.651 297 HG3 GLN 54 HG3 GLN 54 -3.608 -16.603 2.309 298 HE21 GLN 54 HE21 GLN 54 -4.725 -18.365 2.910 299 HE22 GLN 54 HE22 GLN 54 -6.456 -18.428 3.021 300 H VAL 55 H VAL 55 -2.505 -13.036 0.491 301 HA VAL 55 HA VAL 55 -3.183 -10.489 1.486 302 HB VAL 55 HB VAL 55 -0.674 -11.429 0.106 303 HG11 VAL 55 HG11 VAL 55 -1.047 -8.942 1.750 304 HG12 VAL 55 HG12 VAL 55 -1.060 -8.952 -0.012 305 HG13 VAL 55 HG13 VAL 55 0.396 -9.437 0.864 306 HG21 VAL 55 HG21 VAL 55 -1.133 -10.858 3.004 307 HG22 VAL 55 HG22 VAL 55 0.209 -11.734 2.261 308 HG23 VAL 55 HG23 VAL 55 -1.406 -12.457 2.302 309 H ALA 56 H ALA 56 -2.540 -11.630 -1.820 310 HA ALA 56 HA ALA 56 -2.581 -9.141 -3.102 311 HB1 ALA 56 HB1 ALA 56 -1.937 -10.795 -4.550 312 HB2 ALA 56 HB2 ALA 56 -3.618 -10.600 -5.032 313 HB3 ALA 56 HB3 ALA 56 -3.156 -11.929 -3.969 314 H TYR 57 H TYR 57 -5.147 -11.174 -1.921 315 HA TYR 57 HA TYR 57 -7.204 -9.618 -3.189 316 HB2 TYR 57 HB2 TYR 57 -7.095 -12.025 -1.455 317 HB3 TYR 57 HB3 TYR 57 -8.612 -11.128 -1.547 318 HD1 TYR 57 HD2 TYR 57 -6.088 -11.567 -4.271 319 HD2 TYR 57 HD1 TYR 57 -9.961 -12.615 -2.790 320 HE1 TYR 57 HE2 TYR 57 -6.633 -12.614 -6.404 321 HE2 TYR 57 HE1 TYR 57 -10.493 -13.679 -4.940 322 HH TYR 57 HH TYR 57 -9.750 -13.492 -7.321 323 H ALA 58 H ALA 58 -5.776 -9.881 0.017 324 HA ALA 58 HA ALA 58 -7.644 -8.157 1.313 325 HB1 ALA 58 HB1 ALA 58 -4.863 -8.894 2.213 326 HB2 ALA 58 HB2 ALA 58 -6.302 -9.892 2.455 327 HB3 ALA 58 HB3 ALA 58 -6.198 -8.303 3.214 328 H LEU 59 H LEU 59 -4.460 -7.769 -0.094 329 HA LEU 59 HA LEU 59 -4.287 -4.994 0.767 330 HB2 LEU 59 HB2 LEU 59 -2.479 -7.143 0.318 331 HB3 LEU 59 HB3 LEU 59 -2.034 -5.837 -0.755 332 HG LEU 59 HG LEU 59 -1.548 -4.386 1.016 333 HD11 LEU 59 HD11 LEU 59 -3.224 -6.267 2.641 334 HD12 LEU 59 HD12 LEU 59 -3.477 -4.540 2.347 335 HD13 LEU 59 HD13 LEU 59 -2.157 -5.078 3.390 336 HD21 LEU 59 HD21 LEU 59 -0.844 -7.169 1.891 337 HD22 LEU 59 HD22 LEU 59 -0.076 -5.694 2.484 338 HD23 LEU 59 HD23 LEU 59 0.092 -6.159 0.789 339 H GLY 60 H GLY 60 -5.164 -6.781 -1.978 340 HA2 GLY 60 HA3 GLY 60 -5.954 -5.861 -4.002 341 HA3 GLY 60 HA2 GLY 60 -5.091 -4.371 -3.632 342 H THR 61 H THR 61 -5.125 -6.588 -5.865 343 HA THR 61 HA THR 61 -2.532 -7.671 -5.894 344 HB THR 61 HB THR 61 -3.069 -7.940 -8.395 345 HG1 THR 61 HG1 THR 61 -5.108 -7.454 -9.028 346 HG21 THR 61 HG21 THR 61 -4.892 -9.166 -6.385 347 HG22 THR 61 HG22 THR 61 -3.240 -9.690 -6.662 348 HG23 THR 61 HG23 THR 61 -4.453 -9.849 -7.941 349 HA PRO 62 HA PRO 62 -0.070 -4.199 -6.856 350 HB2 PRO 62 HB2 PRO 62 1.836 -6.127 -7.965 351 HB3 PRO 62 HB3 PRO 62 2.008 -5.062 -6.575 352 HG2 PRO 62 HG2 PRO 62 1.736 -7.694 -6.238 353 HG3 PRO 62 HG3 PRO 62 0.943 -6.549 -5.138 354 HD2 PRO 62 HD2 PRO 62 -0.230 -8.038 -7.471 355 HD3 PRO 62 HD3 PRO 62 -0.887 -7.843 -5.835 356 H LEU 63 H LEU 63 1.285 -3.296 -8.596 357 HA LEU 63 HA LEU 63 -0.123 -2.769 -10.876 358 HB2 LEU 63 HB2 LEU 63 2.879 -2.811 -10.803 359 HB3 LEU 63 HB3 LEU 63 1.827 -1.700 -11.666 360 HG LEU 63 HG LEU 63 1.833 -1.816 -8.662 361 HD11 LEU 63 HD11 LEU 63 4.142 -1.458 -9.477 362 HD12 LEU 63 HD12 LEU 63 3.482 -0.062 -8.618 363 HD13 LEU 63 HD13 LEU 63 3.575 -0.050 -10.381 364 HD21 LEU 63 HD21 LEU 63 -0.017 -0.650 -9.717 365 HD22 LEU 63 HD22 LEU 63 1.105 0.320 -10.669 366 HD23 LEU 63 HD23 LEU 63 1.050 0.504 -8.916 367 H MET 64 H MET 64 2.557 -5.085 -10.534 368 HA MET 64 HA MET 64 2.525 -6.076 -13.155 369 HB2 MET 64 HB2 MET 64 3.557 -8.149 -12.081 370 HB3 MET 64 HB3 MET 64 4.402 -6.625 -11.854 371 HG2 MET 64 HG2 MET 64 3.342 -6.424 -9.619 372 HG3 MET 64 HG3 MET 64 2.643 -8.029 -9.849 373 HE1 MET 64 HE1 MET 64 5.153 -8.803 -7.202 374 HE2 MET 64 HE2 MET 64 3.647 -7.925 -7.535 375 HE3 MET 64 HE3 MET 64 5.164 -7.042 -7.373 376 H SER 65 H SER 65 1.595 -7.914 -14.073 377 HA SER 65 HA SER 65 -1.160 -8.135 -13.406 378 HB2 SER 65 HB2 SER 65 -0.978 -9.849 -15.402 379 HB3 SER 65 HB3 SER 65 -0.799 -8.115 -15.687 380 HG SER 65 HG SER 65 0.963 -10.038 -16.199 381 H ASP 66 H ASP 66 1.301 -9.631 -11.980 382 HA ASP 66 HA ASP 66 -0.297 -11.845 -11.103 383 HB2 ASP 66 HB2 ASP 66 0.560 -13.048 -12.891 384 HB3 ASP 66 HB3 ASP 66 2.121 -12.234 -12.833 385 HA PRO 67 HA PRO 67 2.156 -10.434 -7.605 386 HB2 PRO 67 HB2 PRO 67 0.479 -11.481 -5.750 387 HB3 PRO 67 HB3 PRO 67 0.149 -9.958 -6.583 388 HG2 PRO 67 HG2 PRO 67 -0.941 -12.697 -7.140 389 HG3 PRO 67 HG3 PRO 67 -1.803 -11.143 -7.095 390 HD2 PRO 67 HD2 PRO 67 -0.998 -12.319 -9.426 391 HD3 PRO 67 HD3 PRO 67 -1.094 -10.559 -9.217 392 H PHE 68 H PHE 68 1.150 -13.659 -8.508 393 HA PHE 68 HA PHE 68 2.404 -14.959 -6.273 394 HB2 PHE 68 HB2 PHE 68 1.359 -16.284 -8.765 395 HB3 PHE 68 HB3 PHE 68 1.481 -16.943 -7.140 396 HD1 PHE 68 HD2 PHE 68 0.238 -15.111 -5.410 397 HD2 PHE 68 HD1 PHE 68 -0.836 -16.082 -9.406 398 HE1 PHE 68 HE2 PHE 68 -2.080 -14.430 -4.945 399 HE2 PHE 68 HE1 PHE 68 -3.156 -15.395 -8.954 400 HZ PHE 68 HZ PHE 68 -3.780 -14.572 -6.721 401 H GLY 69 H GLY 69 3.660 -13.673 -9.057 402 HA2 GLY 69 HA3 GLY 69 5.433 -15.916 -9.672 403 HA3 GLY 69 HA2 GLY 69 5.271 -14.436 -10.604 404 H THR 70 H THR 70 5.478 -13.282 -7.640 405 HA THR 70 HA THR 70 8.422 -13.269 -7.629 406 HB THR 70 HB THR 70 7.356 -11.106 -8.450 407 HG1 THR 70 HG1 THR 70 9.366 -10.769 -7.706 408 HG21 THR 70 HG21 THR 70 5.426 -11.121 -6.958 409 HG22 THR 70 HG22 THR 70 6.378 -9.642 -6.759 410 HG23 THR 70 HG23 THR 70 6.504 -10.940 -5.568 411 H ASN 71 H ASN 71 9.217 -12.416 -5.429 412 HA ASN 71 HA ASN 71 7.560 -13.574 -3.279 413 HB2 ASN 71 HB2 ASN 71 10.583 -13.545 -3.505 414 HB3 ASN 71 HB3 ASN 71 9.677 -14.148 -2.121 415 HD21 ASN 71 HD21 ASN 71 8.605 -16.112 -2.275 416 HD22 ASN 71 HD22 ASN 71 8.903 -17.233 -3.562 417 H THR 72 H THR 72 8.570 -10.785 -4.562 418 HA THR 72 HA THR 72 8.772 -9.444 -1.956 419 HB THR 72 HB THR 72 10.060 -8.347 -4.438 420 HG1 THR 72 HG1 THR 72 11.195 -10.227 -2.599 421 HG21 THR 72 HG21 THR 72 9.802 -6.919 -2.461 422 HG22 THR 72 HG22 THR 72 11.498 -7.240 -2.825 423 HG23 THR 72 HG23 THR 72 10.700 -8.097 -1.506 424 H TRP 73 H TRP 73 6.967 -8.262 -1.662 425 HA TRP 73 HA TRP 73 5.685 -7.063 -4.028 426 HB2 TRP 73 HB2 TRP 73 4.552 -7.863 -1.349 427 HB3 TRP 73 HB3 TRP 73 3.662 -6.882 -2.508 428 HD1 TRP 73 HD TRP 73 5.601 -9.354 -4.404 429 HE1 TRP 73 HE1 TRP 73 4.123 -11.347 -5.095 430 HE3 TRP 73 HE3 TRP 73 1.584 -8.468 -1.385 431 HZ2 TRP 73 HZ2 TRP 73 1.601 -12.396 -4.443 432 HZ3 TRP 73 HZ3 TRP 73 -0.319 -10.017 -1.481 433 HH2 TRP 73 HH TRP 73 -0.307 -11.943 -2.979 434 H PHE 74 H PHE 74 5.211 -4.886 -4.072 435 HA PHE 74 HA PHE 74 6.324 -3.294 -1.855 436 HB2 PHE 74 HB2 PHE 74 6.194 -2.353 -4.720 437 HB3 PHE 74 HB3 PHE 74 7.119 -1.664 -3.388 438 HD1 PHE 74 HD2 PHE 74 8.942 -3.251 -2.358 439 HD2 PHE 74 HD1 PHE 74 7.245 -3.709 -6.236 440 HE1 PHE 74 HE2 PHE 74 10.896 -4.580 -3.058 441 HE2 PHE 74 HE1 PHE 74 9.195 -5.031 -6.941 442 HZ PHE 74 HZ PHE 74 11.026 -5.465 -5.351 443 H TYR 75 H TYR 75 4.849 -2.180 -0.804 444 HA TYR 75 HA TYR 75 2.539 -1.091 -2.277 445 HB2 TYR 75 HB2 TYR 75 2.561 -2.278 0.487 446 HB3 TYR 75 HB3 TYR 75 1.211 -1.404 -0.185 447 HD1 TYR 75 HD1 TYR 75 0.147 -2.345 -2.330 448 HD2 TYR 75 HD2 TYR 75 2.779 -4.516 0.176 449 HE1 TYR 75 HE1 TYR 75 -0.735 -4.443 -3.255 450 HE2 TYR 75 HE2 TYR 75 1.931 -6.638 -0.727 451 HH TYR 75 HH TYR 75 -0.350 -6.668 -3.430 452 H VAL 76 H VAL 76 1.415 0.613 -0.632 453 HA VAL 76 HA VAL 76 3.616 2.416 0.173 454 HB VAL 76 HB VAL 76 1.096 3.244 -1.283 455 HG11 VAL 76 HG11 VAL 76 2.232 5.410 -1.574 456 HG12 VAL 76 HG12 VAL 76 3.550 4.842 -0.543 457 HG13 VAL 76 HG13 VAL 76 1.922 5.021 0.117 458 HG21 VAL 76 HG21 VAL 76 2.487 1.986 -2.798 459 HG22 VAL 76 HG22 VAL 76 3.898 2.945 -2.350 460 HG23 VAL 76 HG23 VAL 76 2.558 3.698 -3.217 461 H PHE 77 H PHE 77 3.133 3.829 1.871 462 HA PHE 77 HA PHE 77 0.718 3.243 3.421 463 HB2 PHE 77 HB2 PHE 77 3.306 4.631 4.082 464 HB3 PHE 77 HB3 PHE 77 1.885 4.840 5.100 465 HD1 PHE 77 HD2 PHE 77 1.994 1.609 3.595 466 HD2 PHE 77 HD1 PHE 77 3.511 3.917 6.832 467 HE1 PHE 77 HE2 PHE 77 2.562 -0.457 4.800 468 HE2 PHE 77 HE1 PHE 77 4.079 1.853 8.040 469 HZ PHE 77 HZ PHE 77 3.607 -0.339 7.025 470 H ARG 78 H ARG 78 -0.582 5.028 4.237 471 HA ARG 78 HA ARG 78 -1.176 6.755 2.011 472 HB2 ARG 78 HB2 ARG 78 -3.257 7.079 2.971 473 HB3 ARG 78 HB1 ARG 78 -2.842 5.487 3.578 474 HG2 ARG 78 HG2 ARG 78 -2.107 6.500 5.689 475 HG3 ARG 78 HG1 ARG 78 -2.576 8.084 5.079 476 HD2 ARG 78 HD2 ARG 78 -4.901 7.217 4.820 477 HD3 ARG 78 HD1 ARG 78 -4.380 5.733 5.619 478 HE ARG 78 HE ARG 78 -3.676 7.984 7.180 479 HH11 ARG 78 HH11 ARG 78 -6.496 6.063 6.306 480 HH12 ARG 78 HH12 ARG 78 -7.361 6.475 7.751 481 HH21 ARG 78 HH21 ARG 78 -4.837 8.530 9.041 482 HH22 ARG 78 HH22 ARG 78 -6.436 7.887 9.289 483 H GLN 79 H GLN 79 -1.270 8.983 2.020 484 HA GLN 79 HA GLN 79 -0.625 11.097 2.456 485 HB2 GLN 79 HB2 GLN 79 -2.401 10.738 4.091 486 HB3 GLN 79 HB3 GLN 79 -1.212 10.192 5.246 487 HG2 GLN 79 HG2 GLN 79 -0.234 12.384 5.356 488 HG3 GLN 79 HG3 GLN 79 -1.292 12.951 4.064 489 HE21 GLN 79 HE21 GLN 79 -3.575 11.453 5.085 490 HE22 GLN 79 HE22 GLN 79 -4.145 12.315 6.467 491 H GLN 80 H GLN 80 1.560 9.845 1.893 492 HA GLN 80 HA GLN 80 3.515 10.778 3.873 493 HB2 GLN 80 HB2 GLN 80 3.951 8.816 1.623 494 HB3 GLN 80 HB3 GLN 80 5.043 9.183 2.937 495 HG2 GLN 80 HG2 GLN 80 2.349 8.096 3.553 496 HG3 GLN 80 HG3 GLN 80 3.612 7.019 2.979 497 HE21 GLN 80 HE21 GLN 80 2.575 9.122 5.544 498 HE22 GLN 80 HE22 GLN 80 3.721 8.584 6.727 499 HA PRO 81 HA PRO 81 4.965 13.737 0.920 500 HB2 PRO 81 HB2 PRO 81 7.683 13.331 0.843 501 HB3 PRO 81 HB3 PRO 81 6.839 14.279 2.066 502 HG2 PRO 81 HG2 PRO 81 7.912 11.519 2.219 503 HG3 PRO 81 HG3 PRO 81 7.750 12.738 3.491 504 HD2 PRO 81 HD2 PRO 81 6.093 10.576 3.204 505 HD3 PRO 81 HD3 PRO 81 5.620 12.081 4.005 506 H GLY 82 H GLY 82 7.146 11.078 0.405 507 HA2 GLY 82 HA3 GLY 82 7.294 9.533 -1.315 508 HA3 GLY 82 HA2 GLY 82 5.841 10.229 -2.008 509 H HIS 83 H HIS 83 6.386 12.689 -2.682 510 HA HIS 83 HA HIS 83 8.109 12.359 -4.945 511 HB2 HIS 83 HB2 HIS 83 6.765 14.870 -3.911 512 HB3 HIS 83 HB1 HIS 83 7.486 14.666 -5.504 513 HD1 HIS 83 HD1 HIS 83 4.301 14.686 -3.966 514 HD2 HIS 83 HD2 HIS 83 6.104 12.300 -6.861 515 HE1 HIS 83 HE1 HIS 83 2.417 13.562 -5.192 516 HE2 HIS 83 HE2 HIS 83 3.533 11.994 -6.822 517 H GLU 84 H GLU 84 8.137 14.979 -2.556 518 HA GLU 84 HA GLU 84 11.055 15.085 -2.783 519 HB2 GLU 84 HB2 GLU 84 9.073 17.077 -1.670 520 HB3 GLU 84 HB3 GLU 84 10.814 17.325 -1.759 521 HG2 GLU 84 HG2 GLU 84 10.789 17.422 -4.099 522 HG3 GLU 84 HG3 GLU 84 9.172 16.732 -4.196 523 H GLY 85 H GLY 85 12.372 14.932 -0.959 524 HA2 GLY 85 HA3 GLY 85 12.978 14.154 1.116 525 HA3 GLY 85 HA2 GLY 85 11.404 14.694 1.690 526 H VAL 86 H VAL 86 12.894 12.087 -0.225 527 HA VAL 86 HA VAL 86 10.643 10.381 -0.062 528 HB VAL 86 HB VAL 86 13.417 9.362 -0.418 529 HG11 VAL 86 HG11 VAL 86 11.414 7.857 -0.205 530 HG12 VAL 86 HG12 VAL 86 12.399 7.630 -1.651 531 HG13 VAL 86 HG13 VAL 86 10.872 8.508 -1.752 532 HG21 VAL 86 HG21 VAL 86 11.704 10.783 -2.438 533 HG22 VAL 86 HG22 VAL 86 13.108 9.802 -2.860 534 HG23 VAL 86 HG23 VAL 86 13.309 11.259 -1.884 535 H THR 87 H THR 87 9.989 9.133 1.460 536 HA THR 87 HA THR 87 11.591 7.762 3.334 537 HB THR 87 HB THR 87 11.744 10.093 4.228 538 HG1 THR 87 HG1 THR 87 10.324 8.252 5.894 539 HG21 THR 87 HG21 THR 87 9.553 10.897 3.594 540 HG22 THR 87 HG22 THR 87 9.735 11.023 5.346 541 HG23 THR 87 HG23 THR 87 8.782 9.713 4.643 542 H GLN 88 H GLN 88 9.066 7.857 1.509 543 HA GLN 88 HA GLN 88 6.784 7.266 2.960 544 HB2 GLN 88 HB2 GLN 88 6.126 7.407 0.815 545 HB3 GLN 88 HB3 GLN 88 7.769 7.108 0.245 546 HG2 GLN 88 HG2 GLN 88 6.452 5.473 -0.674 547 HG3 GLN 88 HG3 GLN 88 7.311 4.698 0.646 548 HE21 GLN 88 HE21 GLN 88 4.645 6.837 1.237 549 HE22 GLN 88 HE22 GLN 88 3.520 5.632 1.746 550 H GLN 89 H GLN 89 6.432 5.623 4.348 551 HA GLN 89 HA GLN 89 8.253 3.418 4.470 552 HB2 GLN 89 HB2 GLN 89 5.711 4.035 5.966 553 HB3 GLN 89 HB3 GLN 89 6.683 2.601 6.261 554 HG2 GLN 89 HG2 GLN 89 8.536 3.909 6.976 555 HG3 GLN 89 HG3 GLN 89 7.744 5.400 6.472 556 HE21 GLN 89 HE21 GLN 89 6.067 2.795 8.058 557 HE22 GLN 89 HE22 GLN 89 5.779 3.617 9.551 558 H THR 90 H THR 90 8.166 1.990 2.886 559 HA THR 90 HA THR 90 5.655 1.302 1.637 560 HB THR 90 HB THR 90 7.185 -0.123 0.184 561 HG1 THR 90 HG1 THR 90 9.441 0.506 0.341 562 HG21 THR 90 HG21 THR 90 6.361 2.272 -0.226 563 HG22 THR 90 HG22 THR 90 7.717 1.685 -1.190 564 HG23 THR 90 HG23 THR 90 8.003 2.762 0.182 565 H LEU 91 H LEU 91 4.749 -0.714 1.625 566 HA LEU 91 HA LEU 91 5.711 -2.561 3.669 567 HB2 LEU 91 HB2 LEU 91 3.257 -2.108 3.487 568 HB3 LEU 91 HB3 LEU 91 3.284 -2.861 1.907 569 HG LEU 91 HG LEU 91 4.102 -4.962 2.954 570 HD11 LEU 91 HD11 LEU 91 3.583 -5.016 5.490 571 HD12 LEU 91 HD12 LEU 91 3.800 -3.261 5.397 572 HD13 LEU 91 HD13 LEU 91 5.120 -4.341 4.936 573 HD21 LEU 91 HD21 LEU 91 1.988 -5.575 4.079 574 HD22 LEU 91 HD22 LEU 91 1.765 -4.827 2.486 575 HD23 LEU 91 HD23 LEU 91 1.476 -3.885 3.951 576 H THR 92 H THR 92 7.257 -3.860 3.095 577 HA THR 92 HA THR 92 7.335 -4.857 0.331 578 HB THR 92 HB THR 92 9.561 -4.895 2.384 579 HG1 THR 92 HG1 THR 92 8.592 -2.857 0.953 580 HG21 THR 92 HG21 THR 92 9.722 -6.611 0.631 581 HG22 THR 92 HG22 THR 92 10.986 -5.389 0.463 582 HG23 THR 92 HG23 THR 92 9.578 -5.358 -0.600 583 H LEU 93 H LEU 93 6.243 -6.733 0.258 584 HA LEU 93 HA LEU 93 6.087 -8.286 2.705 585 HB2 LEU 93 HB2 LEU 93 4.126 -7.672 1.034 586 HB3 LEU 93 HB3 LEU 93 4.673 -9.140 0.231 587 HG LEU 93 HG LEU 93 4.377 -10.344 2.368 588 HD11 LEU 93 HD11 LEU 93 2.732 -8.845 3.859 589 HD12 LEU 93 HD12 LEU 93 3.815 -7.599 3.249 590 HD13 LEU 93 HD13 LEU 93 4.462 -8.974 4.147 591 HD21 LEU 93 HD21 LEU 93 1.842 -8.945 1.721 592 HD22 LEU 93 HD22 LEU 93 2.105 -10.631 2.146 593 HD23 LEU 93 HD23 LEU 93 2.588 -10.028 0.558 594 H THR 94 H THR 94 7.155 -10.094 3.076 595 HA THR 94 HA THR 94 8.828 -11.147 0.943 596 HB THR 94 HB THR 94 9.046 -11.177 3.950 597 HG1 THR 94 HG1 THR 94 10.156 -9.445 3.464 598 HG21 THR 94 HG21 THR 94 9.662 -13.345 3.118 599 HG22 THR 94 HG22 THR 94 11.097 -12.479 3.667 600 HG23 THR 94 HG23 THR 94 10.754 -12.624 1.939 601 H PHE 95 H PHE 95 8.307 -13.051 0.117 602 HA PHE 95 HA PHE 95 6.385 -14.717 1.582 603 HB2 PHE 95 HB2 PHE 95 6.654 -14.079 -1.316 604 HB3 PHE 95 HB3 PHE 95 5.963 -15.628 -0.842 605 HD1 PHE 95 HD2 PHE 95 4.101 -15.536 0.897 606 HD2 PHE 95 HD1 PHE 95 5.273 -12.220 -1.467 607 HE1 PHE 95 HE2 PHE 95 1.922 -14.497 1.310 608 HE2 PHE 95 HE1 PHE 95 3.089 -11.164 -1.064 609 HZ PHE 95 HZ PHE 95 1.415 -12.313 0.328 610 H ASN 96 H ASN 96 6.530 -16.856 1.588 611 HA ASN 96 HA ASN 96 9.123 -18.028 1.611 612 HB2 ASN 96 HB2 ASN 96 6.866 -18.500 2.945 613 HB3 ASN 96 HB3 ASN 96 6.632 -19.666 1.664 614 HD21 ASN 96 HD21 ASN 96 6.868 -20.171 4.358 615 HD22 ASN 96 HD22 ASN 96 8.286 -21.113 4.604 616 H SER 97 H SER 97 9.391 -20.267 0.504 617 HA SER 97 HA SER 97 9.347 -19.937 -2.285 618 HB2 SER 97 HB2 SER 97 9.518 -22.577 -0.823 619 HB3 SER 97 HB3 SER 97 10.206 -22.170 -2.394 620 HG SER 97 HG SER 97 11.653 -22.146 -0.469 621 H SER 98 H SER 98 7.042 -21.346 -0.067 622 HA SER 98 HA SER 98 5.453 -22.526 -2.185 623 HB2 SER 98 HB2 SER 98 5.687 -23.647 0.023 624 HB3 SER 98 HB3 SER 98 4.867 -22.283 0.778 625 HG SER 98 HG SER 98 3.134 -22.815 -0.862 626 H GLY 99 H GLY 99 5.918 -19.467 -1.347 627 HA2 GLY 99 HA3 GLY 99 4.708 -17.550 -1.740 628 HA3 GLY 99 HA2 GLY 99 3.397 -18.553 -2.334 629 H VAL 100 H VAL 100 4.854 -18.835 0.838 630 HA VAL 100 HA VAL 100 2.293 -18.026 2.047 631 HB VAL 100 HB VAL 100 4.532 -19.565 3.372 632 HG11 VAL 100 HG11 VAL 100 1.613 -19.259 4.061 633 HG12 VAL 100 HG12 VAL 100 2.969 -18.498 4.892 634 HG13 VAL 100 HG13 VAL 100 2.780 -20.250 4.938 635 HG21 VAL 100 HG21 VAL 100 2.158 -20.629 1.858 636 HG22 VAL 100 HG22 VAL 100 3.145 -21.596 2.955 637 HG23 VAL 100 HG23 VAL 100 3.867 -20.896 1.502 638 H LEU 101 H LEU 101 2.285 -16.330 3.528 639 HA LEU 101 HA LEU 101 4.379 -14.483 3.494 640 HB2 LEU 101 HB2 LEU 101 1.837 -14.798 4.895 641 HB3 LEU 101 HB3 LEU 101 3.045 -13.901 5.799 642 HG LEU 101 HG LEU 101 2.012 -13.258 3.054 643 HD11 LEU 101 HD11 LEU 101 1.830 -11.788 5.660 644 HD12 LEU 101 HD12 LEU 101 0.511 -12.677 4.900 645 HD13 LEU 101 HD13 LEU 101 1.175 -11.240 4.120 646 HD21 LEU 101 HD21 LEU 101 4.096 -11.824 4.666 647 HD22 LEU 101 HD22 LEU 101 3.468 -11.331 3.094 648 HD23 LEU 101 HD23 LEU 101 4.418 -12.817 3.246 649 H THR 102 H THR 102 6.174 -14.323 4.508 650 HA THR 102 HA THR 102 6.624 -15.997 6.888 651 HB THR 102 HB THR 102 9.011 -16.011 6.293 652 HG1 THR 102 HG1 THR 102 9.681 -15.126 4.336 653 HG21 THR 102 HG21 THR 102 6.922 -16.974 4.428 654 HG22 THR 102 HG22 THR 102 7.962 -17.909 5.506 655 HG23 THR 102 HG23 THR 102 8.612 -17.231 4.011 656 H ASN 103 H ASN 103 7.286 -12.942 5.309 657 HA ASN 103 HA ASN 103 7.352 -11.673 7.959 658 HB2 ASN 103 HB2 ASN 103 9.732 -12.131 7.213 659 HB3 ASN 103 HB3 ASN 103 9.449 -10.984 5.907 660 HD21 ASN 103 HD21 ASN 103 10.881 -9.442 6.566 661 HD22 ASN 103 HD22 ASN 103 10.690 -8.527 8.018 662 H ILE 104 H ILE 104 6.751 -9.550 8.023 663 HA ILE 104 HA ILE 104 5.730 -8.353 5.521 664 HB ILE 104 HB ILE 104 4.959 -7.320 8.228 665 HG12 ILE 104 HG12 ILE 104 4.535 -9.771 8.327 666 HG13 ILE 104 HG13 ILE 104 3.073 -8.802 8.447 667 HG21 ILE 104 HG21 ILE 104 3.486 -7.433 5.591 668 HG22 ILE 104 HG22 ILE 104 4.343 -6.049 6.257 669 HG23 ILE 104 HG23 ILE 104 2.906 -6.668 7.069 670 HD11 ILE 104 HD11 ILE 104 2.601 -9.282 6.090 671 HD12 ILE 104 HD12 ILE 104 2.686 -10.735 7.089 672 HD13 ILE 104 HD13 ILE 104 4.035 -10.308 6.031 673 H ASP 105 H ASP 105 7.661 -7.273 4.909 674 HA ASP 105 HA ASP 105 9.190 -5.844 6.876 675 HB2 ASP 105 HB2 ASP 105 9.410 -6.011 3.865 676 HB3 ASP 105 HB3 ASP 105 10.524 -5.115 4.877 677 H ASN 106 H ASN 106 7.912 -4.204 7.700 678 HA ASN 106 HA ASN 106 7.011 -2.191 5.781 679 HB2 ASN 106 HB2 ASN 106 5.693 -1.304 7.729 680 HB3 ASN 106 HB3 ASN 106 5.197 -2.874 7.138 681 HD21 ASN 106 HD21 ASN 106 4.792 -1.577 9.731 682 HD22 ASN 106 HD22 ASN 106 5.437 -2.676 10.909 683 H LYS 107 H LYS 107 8.580 -0.862 5.411 684 HA LYS 107 HA LYS 107 9.753 0.670 7.573 685 HB2 LYS 107 HB2 LYS 107 11.998 0.100 7.144 686 HB3 LYS 107 HB1 LYS 107 11.166 -1.443 7.087 687 HG2 LYS 107 HG2 LYS 107 11.717 0.170 4.654 688 HG3 LYS 107 HG1 LYS 107 12.865 -1.015 5.273 689 HD2 LYS 107 HD2 LYS 107 11.230 -2.779 4.978 690 HD3 LYS 107 HD1 LYS 107 10.010 -1.603 4.480 691 HE2 LYS 107 HE2 LYS 107 12.594 -2.163 3.036 692 HE3 LYS 107 HE1 LYS 107 11.016 -2.792 2.572 693 HZ1 LYS 107 HZ1 LYS 107 11.791 0.079 2.652 694 HZ2 LYS 107 HZ2 LYS 107 10.259 -0.507 2.233 695 HZ3 LYS 107 HZ3 LYS 107 11.599 -0.866 1.260 696 HA PRO 108 HA PRO 108 9.655 3.789 4.470 697 HB2 PRO 108 HB2 PRO 108 12.057 5.083 4.613 698 HB3 PRO 108 HB3 PRO 108 10.755 5.295 5.778 699 HG2 PRO 108 HG2 PRO 108 13.267 3.743 6.005 700 HG3 PRO 108 HG3 PRO 108 12.348 4.585 7.262 701 HD2 PRO 108 HD2 PRO 108 12.335 1.852 6.839 702 HD3 PRO 108 HD3 PRO 108 11.080 2.745 7.701 703 H ALA 109 H ALA 109 10.239 4.367 2.371 704 HA ALA 109 HA ALA 109 11.650 2.455 0.806 705 HB1 ALA 109 HB1 ALA 109 10.741 5.229 0.084 706 HB2 ALA 109 HB2 ALA 109 9.807 3.744 -0.090 707 HB3 ALA 109 HB3 ALA 109 11.275 3.976 -1.043 708 H LEU 110 H LEU 110 13.231 3.472 -0.866 709 HA LEU 110 HA LEU 110 15.673 3.862 0.368 710 HB2 LEU 110 HB2 LEU 110 14.992 4.936 -2.356 711 HB3 LEU 110 HB3 LEU 110 16.536 4.339 -1.771 712 HG LEU 110 HG LEU 110 14.088 2.598 -2.125 713 HD11 LEU 110 HD11 LEU 110 16.523 2.712 -3.890 714 HD12 LEU 110 HD12 LEU 110 15.042 3.601 -4.252 715 HD13 LEU 110 HD13 LEU 110 15.018 1.838 -4.175 716 HD21 LEU 110 HD21 LEU 110 15.865 1.898 -0.478 717 HD22 LEU 110 HD22 LEU 110 16.983 1.820 -1.845 718 HD23 LEU 110 HD23 LEU 110 15.570 0.766 -1.800 719 H SER 111 H SER 111 15.977 5.421 1.772 720 HA SER 111 HA SER 111 15.144 8.132 1.113 721 HB2 SER 111 HB2 SER 111 14.039 7.115 3.100 722 HB3 SER 111 HB3 SER 111 15.625 6.960 3.853 723 HG SER 111 HG SER 111 14.255 9.345 3.142 724 H GLY 112 H GLY 112 17.720 6.115 1.896 725 HA2 GLY 112 HA3 GLY 112 19.933 7.025 1.154 726 HA3 GLY 112 HA2 GLY 112 19.547 8.419 2.156 727 H ASN 113 H ASN 113 21.863 6.839 2.457 728 HA ASN 113 HA ASN 113 21.474 5.937 5.199 729 HB2 ASN 113 HB2 ASN 113 21.197 3.941 3.630 730 HB3 ASN 113 HB3 ASN 113 22.897 4.145 3.226 731 HD21 ASN 113 HD21 ASN 113 24.464 3.749 4.817 732 HD22 ASN 113 HD22 ASN 113 24.098 2.828 6.240 Start of MODEL 5 1 H1 GLY 17 H1 GLY 17 -21.925 -5.275 18.511 2 H2 GLY 17 H2 GLY 17 -21.470 -6.840 18.975 3 H3 GLY 17 H3 GLY 17 -20.715 -5.494 19.682 4 HA2 GLY 17 HA2 GLY 17 -22.288 -6.411 21.225 5 HA3 GLY 17 HA3 GLY 17 -22.812 -4.822 20.687 6 H SER 18 H SER 18 -24.918 -5.570 21.439 7 HA SER 18 HA SER 18 -26.276 -7.691 20.141 8 HB2 SER 18 HB2 SER 18 -27.411 -5.284 21.585 9 HB3 SER 18 HB3 SER 18 -28.290 -6.761 21.187 10 HG SER 18 HG SER 18 -25.978 -7.319 22.502 11 H HIS 19 H HIS 19 -27.739 -7.698 18.499 12 HA HIS 19 HA HIS 19 -28.750 -7.151 16.553 13 HB2 HIS 19 HB2 HIS 19 -28.603 -4.357 17.684 14 HB3 HIS 19 HB1 HIS 19 -29.422 -4.758 16.178 15 HD1 HIS 19 HD1 HIS 19 -30.319 -3.970 19.394 16 HD2 HIS 19 HD2 HIS 19 -31.296 -7.168 16.931 17 HE1 HIS 19 HE1 HIS 19 -32.480 -4.884 20.301 18 HE2 HIS 19 HE2 HIS 19 -33.153 -6.680 18.668 19 H MET 20 H MET 20 -28.450 -5.047 14.761 20 HA MET 20 HA MET 20 -25.924 -5.785 13.624 21 HB2 MET 20 HB2 MET 20 -28.215 -4.080 12.738 22 HB3 MET 20 HB3 MET 20 -26.677 -3.962 11.896 23 HG2 MET 20 HG2 MET 20 -28.088 -5.492 10.725 24 HG3 MET 20 HG3 MET 20 -26.761 -6.384 11.458 25 HE1 MET 20 HE1 MET 20 -28.030 -8.685 11.073 26 HE2 MET 20 HE2 MET 20 -29.327 -7.784 10.287 27 HE3 MET 20 HE3 MET 20 -29.708 -8.957 11.547 28 H SER 21 H SER 21 -27.300 -2.682 14.728 29 HA SER 21 HA SER 21 -24.569 -1.746 15.192 30 HB2 SER 21 HB2 SER 21 -25.280 -1.045 12.898 31 HB3 SER 21 HB3 SER 21 -26.597 -0.133 13.630 32 HG SER 21 HG SER 21 -24.014 0.567 13.310 33 H THR 22 H THR 22 -26.653 -2.535 17.062 34 HA THR 22 HA THR 22 -27.667 -0.143 18.261 35 HB THR 22 HB THR 22 -27.212 -2.856 19.534 36 HG1 THR 22 HG1 THR 22 -29.516 -1.691 18.301 37 HG21 THR 22 HG21 THR 22 -28.855 -2.129 21.199 38 HG22 THR 22 HG22 THR 22 -28.963 -0.553 20.418 39 HG23 THR 22 HG23 THR 22 -27.458 -1.052 21.189 40 H LEU 23 H LEU 23 -24.883 -2.250 18.873 41 HA LEU 23 HA LEU 23 -23.631 -0.023 20.339 42 HB2 LEU 23 HB2 LEU 23 -23.356 -2.999 20.682 43 HB3 LEU 23 HB3 LEU 23 -22.100 -1.908 21.228 44 HG LEU 23 HG LEU 23 -23.402 -2.418 23.122 45 HD11 LEU 23 HD11 LEU 23 -22.795 -0.088 22.990 46 HD12 LEU 23 HD12 LEU 23 -24.368 -0.262 23.768 47 HD13 LEU 23 HD13 LEU 23 -24.269 0.271 22.091 48 HD21 LEU 23 HD21 LEU 23 -25.808 -2.199 23.250 49 HD22 LEU 23 HD22 LEU 23 -25.362 -3.316 21.959 50 HD23 LEU 23 HD23 LEU 23 -25.872 -1.674 21.568 51 H GLU 24 H GLU 24 -22.699 0.971 18.572 52 HA GLU 24 HA GLU 24 -20.961 -0.610 16.841 53 HB2 GLU 24 HB2 GLU 24 -22.411 1.090 15.807 54 HB3 GLU 24 HB3 GLU 24 -21.636 2.341 16.771 55 HG2 GLU 24 HG2 GLU 24 -20.794 2.315 14.484 56 HG3 GLU 24 HG3 GLU 24 -19.527 1.938 15.648 57 H ARG 25 H ARG 25 -18.741 -0.353 16.733 58 HA ARG 25 HA ARG 25 -17.560 1.106 19.006 59 HB2 ARG 25 HB2 ARG 25 -17.815 -1.425 19.286 60 HB3 ARG 25 HB1 ARG 25 -16.574 -1.576 18.052 61 HG2 ARG 25 HG2 ARG 25 -15.586 -1.776 20.235 62 HG3 ARG 25 HG1 ARG 25 -15.040 -0.279 19.473 63 HD2 ARG 25 HD2 ARG 25 -16.439 1.043 20.826 64 HD3 ARG 25 HD1 ARG 25 -17.387 -0.350 21.346 65 HE ARG 25 HE ARG 25 -14.913 -0.937 22.254 66 HH11 ARG 25 HH11 ARG 25 -16.872 1.961 22.550 67 HH12 ARG 25 HH12 ARG 25 -16.288 2.332 24.148 68 HH21 ARG 25 HH21 ARG 25 -14.152 -0.456 24.328 69 HH22 ARG 25 HH22 ARG 25 -14.718 0.968 25.151 70 H VAL 26 H VAL 26 -17.324 0.095 15.684 71 HA VAL 26 HA VAL 26 -14.648 1.268 15.460 72 HB VAL 26 HB VAL 26 -14.876 -0.913 14.428 73 HG11 VAL 26 HG11 VAL 26 -17.239 -0.954 13.959 74 HG12 VAL 26 HG12 VAL 26 -16.334 -1.271 12.478 75 HG13 VAL 26 HG13 VAL 26 -17.051 0.317 12.752 76 HG21 VAL 26 HG21 VAL 26 -14.073 -0.398 12.181 77 HG22 VAL 26 HG22 VAL 26 -13.357 0.677 13.384 78 HG23 VAL 26 HG23 VAL 26 -14.662 1.256 12.346 79 H VAL 27 H VAL 27 -14.329 3.219 14.621 80 HA VAL 27 HA VAL 27 -16.659 4.702 13.719 81 HB VAL 27 HB VAL 27 -14.996 5.444 15.588 82 HG11 VAL 27 HG11 VAL 27 -12.946 5.196 14.309 83 HG12 VAL 27 HG12 VAL 27 -13.167 6.870 14.816 84 HG13 VAL 27 HG13 VAL 27 -13.506 6.404 13.147 85 HG21 VAL 27 HG21 VAL 27 -16.895 6.768 14.598 86 HG22 VAL 27 HG22 VAL 27 -15.705 7.532 13.543 87 HG23 VAL 27 HG23 VAL 27 -15.576 7.707 15.290 88 H TYR 28 H TYR 28 -15.827 6.587 12.092 89 HA TYR 28 HA TYR 28 -15.383 5.457 9.605 90 HB2 TYR 28 HB2 TYR 28 -14.942 8.260 10.617 91 HB3 TYR 28 HB3 TYR 28 -14.831 7.817 8.922 92 HD1 TYR 28 HD2 TYR 28 -16.885 6.793 7.838 93 HD2 TYR 28 HD1 TYR 28 -17.004 8.808 11.573 94 HE1 TYR 28 HE2 TYR 28 -19.311 7.125 7.572 95 HE2 TYR 28 HE1 TYR 28 -19.426 9.151 11.324 96 HH TYR 28 HH TYR 28 -21.296 7.527 9.044 97 H ARG 29 H ARG 29 -13.590 6.008 8.122 98 HA ARG 29 HA ARG 29 -10.990 5.580 9.399 99 HB2 ARG 29 HB2 ARG 29 -10.290 4.812 7.124 100 HB3 ARG 29 HB1 ARG 29 -11.579 3.840 7.825 101 HG2 ARG 29 HG2 ARG 29 -13.210 5.161 6.486 102 HG3 ARG 29 HG1 ARG 29 -11.842 5.954 5.706 103 HD2 ARG 29 HD2 ARG 29 -11.057 3.837 4.845 104 HD3 ARG 29 HD1 ARG 29 -12.346 2.981 5.697 105 HE ARG 29 HE ARG 29 -12.902 4.976 3.589 106 HH11 ARG 29 HH11 ARG 29 -13.280 1.768 4.943 107 HH12 ARG 29 HH12 ARG 29 -14.587 1.332 3.890 108 HH21 ARG 29 HH21 ARG 29 -14.605 4.398 2.180 109 HH22 ARG 29 HH22 ARG 29 -15.315 2.808 2.285 110 HA PRO 30 HA PRO 30 -9.493 9.656 8.677 111 HB2 PRO 30 HB2 PRO 30 -7.205 8.198 7.423 112 HB3 PRO 30 HB3 PRO 30 -7.199 9.495 8.617 113 HG2 PRO 30 HG2 PRO 30 -6.790 6.960 9.331 114 HG3 PRO 30 HG3 PRO 30 -7.676 8.090 10.364 115 HD2 PRO 30 HD2 PRO 30 -8.679 5.831 8.775 116 HD3 PRO 30 HD3 PRO 30 -9.361 6.590 10.219 117 H ASP 31 H ASP 31 -9.630 11.129 7.148 118 HA ASP 31 HA ASP 31 -10.558 10.360 4.534 119 HB2 ASP 31 HB2 ASP 31 -11.597 12.188 5.861 120 HB3 ASP 31 HB3 ASP 31 -10.089 13.079 5.720 121 H ILE 32 H ILE 32 -8.325 9.410 4.272 122 HA ILE 32 HA ILE 32 -6.170 11.058 3.470 123 HB ILE 32 HB ILE 32 -6.807 8.262 2.526 124 HG12 ILE 32 HG12 ILE 32 -6.601 8.504 4.993 125 HG13 ILE 32 HG13 ILE 32 -5.319 7.526 4.293 126 HG21 ILE 32 HG21 ILE 32 -4.298 8.239 2.188 127 HG22 ILE 32 HG22 ILE 32 -4.370 9.996 2.303 128 HG23 ILE 32 HG23 ILE 32 -5.244 9.156 1.020 129 HD11 ILE 32 HD11 ILE 32 -4.561 9.110 6.024 130 HD12 ILE 32 HD12 ILE 32 -5.036 10.435 4.970 131 HD13 ILE 32 HD13 ILE 32 -3.764 9.321 4.468 132 H ASN 33 H ASN 33 -5.630 11.912 1.517 133 HA ASN 33 HA ASN 33 -7.774 12.193 -0.423 134 HB2 ASN 33 HB2 ASN 33 -6.837 14.200 -0.827 135 HB3 ASN 33 HB3 ASN 33 -5.751 13.861 0.514 136 HD21 ASN 33 HD21 ASN 33 -3.652 13.238 0.108 137 HD22 ASN 33 HD22 ASN 33 -2.921 13.401 -1.452 138 H GLN 34 H GLN 34 -4.966 10.339 0.033 139 HA GLN 34 HA GLN 34 -4.889 9.609 -2.804 140 HB2 GLN 34 HB2 GLN 34 -2.484 9.012 -2.370 141 HB3 GLN 34 HB3 GLN 34 -2.855 10.730 -2.283 142 HG2 GLN 34 HG2 GLN 34 -2.924 10.610 0.132 143 HG3 GLN 34 HG3 GLN 34 -2.640 8.873 0.055 144 HE21 GLN 34 HE21 GLN 34 -0.602 8.114 -0.450 145 HE22 GLN 34 HE22 GLN 34 0.791 9.126 -0.422 146 H GLY 35 H GLY 35 -6.368 7.949 -2.542 147 HA2 GLY 35 HA3 GLY 35 -5.320 5.597 -1.130 148 HA3 GLY 35 HA2 GLY 35 -7.037 5.931 -1.276 149 H ASN 36 H ASN 36 -4.643 6.326 -3.826 150 HA ASN 36 HA ASN 36 -6.226 4.703 -5.598 151 HB2 ASN 36 HB2 ASN 36 -3.638 6.211 -5.969 152 HB3 ASN 36 HB3 ASN 36 -4.357 5.237 -7.243 153 HD21 ASN 36 HD21 ASN 36 -3.843 8.094 -7.099 154 HD22 ASN 36 HD22 ASN 36 -5.374 8.842 -7.385 155 H TYR 37 H TYR 37 -3.354 4.306 -3.706 156 HA TYR 37 HA TYR 37 -3.208 1.541 -4.638 157 HB2 TYR 37 HB2 TYR 37 -0.756 1.706 -3.856 158 HB3 TYR 37 HB3 TYR 37 -1.180 2.436 -5.394 159 HD1 TYR 37 HD2 TYR 37 -0.879 3.358 -1.777 160 HD2 TYR 37 HD1 TYR 37 -0.418 4.571 -5.826 161 HE1 TYR 37 HE2 TYR 37 0.103 5.483 -1.022 162 HE2 TYR 37 HE1 TYR 37 0.569 6.696 -5.087 163 HH TYR 37 HH TYR 37 0.684 8.117 -3.185 164 H LEU 38 H LEU 38 -1.555 0.534 -2.705 165 HA LEU 38 HA LEU 38 -3.368 0.313 -0.503 166 HB2 LEU 38 HB2 LEU 38 -1.942 -1.544 -1.431 167 HB3 LEU 38 HB3 LEU 38 -0.560 -0.777 -0.670 168 HG LEU 38 HG LEU 38 -2.263 -0.965 1.425 169 HD11 LEU 38 HD11 LEU 38 -3.995 -2.142 0.405 170 HD12 LEU 38 HD12 LEU 38 -3.083 -3.385 1.264 171 HD13 LEU 38 HD13 LEU 38 -2.889 -3.184 -0.479 172 HD21 LEU 38 HD21 LEU 38 0.049 -1.633 1.478 173 HD22 LEU 38 HD22 LEU 38 -0.307 -3.040 0.477 174 HD23 LEU 38 HD23 LEU 38 -0.961 -2.932 2.112 175 H THR 39 H THR 39 -2.967 0.863 1.644 176 HA THR 39 HA THR 39 -0.769 2.745 2.112 177 HB THR 39 HB THR 39 -2.158 4.123 3.506 178 HG1 THR 39 HG1 THR 39 -4.288 2.293 2.914 179 HG21 THR 39 HG21 THR 39 -2.333 4.088 0.859 180 HG22 THR 39 HG22 THR 39 -3.255 5.215 1.848 181 HG23 THR 39 HG23 THR 39 -4.018 3.748 1.235 182 H ALA 40 H ALA 40 -0.758 3.160 4.665 183 HA ALA 40 HA ALA 40 0.124 0.784 5.895 184 HB1 ALA 40 HB1 ALA 40 -0.731 3.361 7.210 185 HB2 ALA 40 HB2 ALA 40 0.875 3.024 6.562 186 HB3 ALA 40 HB3 ALA 40 0.268 2.100 7.936 187 H ASN 41 H ASN 41 -2.923 2.477 5.916 188 HA ASN 41 HA ASN 41 -4.247 1.179 8.011 189 HB2 ASN 41 HB2 ASN 41 -5.443 2.175 5.417 190 HB3 ASN 41 HB3 ASN 41 -6.287 1.944 6.925 191 HD21 ASN 41 HD21 ASN 41 -4.288 3.941 5.081 192 HD22 ASN 41 HD22 ASN 41 -4.231 5.280 6.177 193 H ASP 42 H ASP 42 -4.050 0.492 4.586 194 HA ASP 42 HA ASP 42 -5.678 -1.829 4.619 195 HB2 ASP 42 HB2 ASP 42 -3.591 -1.012 2.595 196 HB3 ASP 42 HB3 ASP 42 -4.864 -2.201 2.349 197 H VAL 43 H VAL 43 -2.232 -1.277 5.015 198 HA VAL 43 HA VAL 43 -1.313 -3.909 4.822 199 HB VAL 43 HB VAL 43 -0.329 -1.652 6.576 200 HG11 VAL 43 HG11 VAL 43 1.016 -4.270 5.951 201 HG12 VAL 43 HG12 VAL 43 0.324 -3.830 7.518 202 HG13 VAL 43 HG13 VAL 43 1.715 -2.942 6.883 203 HG21 VAL 43 HG21 VAL 43 0.990 -2.793 4.168 204 HG22 VAL 43 HG22 VAL 43 1.251 -1.223 4.923 205 HG23 VAL 43 HG23 VAL 43 -0.232 -1.535 4.021 206 H SER 44 H SER 44 -2.816 -2.186 7.484 207 HA SER 44 HA SER 44 -2.454 -4.047 9.525 208 HB2 SER 44 HB2 SER 44 -3.260 -1.745 9.822 209 HB3 SER 44 HB3 SER 44 -4.809 -2.198 9.121 210 HG SER 44 HG SER 44 -4.217 -2.278 11.622 211 H LYS 45 H LYS 45 -4.468 -4.160 6.753 212 HA LYS 45 HA LYS 45 -6.483 -5.913 7.724 213 HB2 LYS 45 HB2 LYS 45 -5.570 -5.303 4.931 214 HB3 LYS 45 HB1 LYS 45 -6.983 -6.274 5.322 215 HG2 LYS 45 HG2 LYS 45 -8.033 -4.383 6.393 216 HG3 LYS 45 HG1 LYS 45 -6.590 -3.398 6.130 217 HD2 LYS 45 HD2 LYS 45 -8.277 -2.909 4.453 218 HD3 LYS 45 HD1 LYS 45 -6.867 -3.671 3.711 219 HE2 LYS 45 HE2 LYS 45 -8.121 -5.866 3.993 220 HE3 LYS 45 HE1 LYS 45 -9.549 -4.885 4.309 221 HZ1 LYS 45 HZ1 LYS 45 -9.557 -5.409 2.014 222 HZ2 LYS 45 HZ2 LYS 45 -7.935 -4.957 1.823 223 HZ3 LYS 45 HZ3 LYS 45 -9.108 -3.775 2.132 224 H ILE 46 H ILE 46 -3.278 -6.447 6.383 225 HA ILE 46 HA ILE 46 -3.866 -9.270 6.121 226 HB ILE 46 HB ILE 46 -1.629 -9.509 5.176 227 HG12 ILE 46 HG12 ILE 46 -1.449 -6.492 5.160 228 HG13 ILE 46 HG13 ILE 46 -0.636 -7.505 6.349 229 HG21 ILE 46 HG21 ILE 46 -2.154 -8.506 3.056 230 HG22 ILE 46 HG22 ILE 46 -3.316 -7.429 3.829 231 HG23 ILE 46 HG23 ILE 46 -3.598 -9.171 3.815 232 HD11 ILE 46 HD11 ILE 46 -0.252 -7.962 3.418 233 HD12 ILE 46 HD12 ILE 46 0.787 -8.432 4.772 234 HD13 ILE 46 HD13 ILE 46 0.683 -6.733 4.294 235 H ARG 47 H ARG 47 -1.874 -10.636 6.654 236 HA ARG 47 HA ARG 47 -0.476 -10.039 9.053 237 HB2 ARG 47 HB2 ARG 47 -1.584 -11.854 10.412 238 HB3 ARG 47 HB1 ARG 47 -2.554 -10.408 10.176 239 HG2 ARG 47 HG2 ARG 47 -2.915 -12.641 8.258 240 HG3 ARG 47 HG1 ARG 47 -3.563 -12.834 9.894 241 HD2 ARG 47 HD2 ARG 47 -4.214 -10.683 7.881 242 HD3 ARG 47 HD1 ARG 47 -5.301 -11.906 8.554 243 HE ARG 47 HE ARG 47 -4.142 -10.203 10.551 244 HH11 ARG 47 HH11 ARG 47 -6.802 -10.525 8.283 245 HH12 ARG 47 HH12 ARG 47 -7.796 -9.363 9.111 246 HH21 ARG 47 HH21 ARG 47 -5.442 -8.690 11.623 247 HH22 ARG 47 HH22 ARG 47 -7.030 -8.334 11.013 248 H VAL 48 H VAL 48 1.023 -11.587 9.572 249 HA VAL 48 HA VAL 48 1.900 -13.159 7.378 250 HB VAL 48 HB VAL 48 2.973 -13.693 10.068 251 HG11 VAL 48 HG11 VAL 48 4.262 -12.971 7.444 252 HG12 VAL 48 HG12 VAL 48 3.989 -14.618 8.033 253 HG13 VAL 48 HG13 VAL 48 5.097 -13.547 8.891 254 HG21 VAL 48 HG21 VAL 48 3.172 -11.021 8.724 255 HG22 VAL 48 HG22 VAL 48 4.259 -11.550 10.013 256 HG23 VAL 48 HG23 VAL 48 2.531 -11.362 10.332 257 H GLY 49 H GLY 49 1.826 -15.389 7.133 258 HA2 GLY 49 HA3 GLY 49 1.368 -17.566 8.217 259 HA3 GLY 49 HA2 GLY 49 0.019 -16.770 9.012 260 H MET 50 H MET 50 -0.433 -15.297 6.315 261 HA MET 50 HA MET 50 -1.808 -17.551 5.059 262 HB2 MET 50 HB2 MET 50 -3.068 -15.803 3.758 263 HB3 MET 50 HB3 MET 50 -3.427 -15.908 5.470 264 HG2 MET 50 HG2 MET 50 -2.003 -13.946 5.842 265 HG3 MET 50 HG3 MET 50 -1.686 -13.867 4.121 266 HE1 MET 50 HE1 MET 50 -3.733 -10.954 3.801 267 HE2 MET 50 HE2 MET 50 -2.198 -11.551 4.455 268 HE3 MET 50 HE3 MET 50 -3.477 -11.027 5.552 269 H THR 51 H THR 51 -2.116 -17.131 2.598 270 HA THR 51 HA THR 51 0.576 -17.444 1.587 271 HB THR 51 HB THR 51 -0.385 -18.537 -0.274 272 HG1 THR 51 HG1 THR 51 -2.858 -18.407 -0.362 273 HG21 THR 51 HG21 THR 51 -0.824 -19.466 2.165 274 HG22 THR 51 HG22 THR 51 -1.436 -20.286 0.728 275 HG23 THR 51 HG23 THR 51 -2.505 -19.244 1.675 276 H GLN 52 H GLN 52 0.558 -16.841 -0.944 277 HA GLN 52 HA GLN 52 0.610 -14.019 -1.089 278 HB2 GLN 52 HB2 GLN 52 0.694 -16.040 -3.333 279 HB3 GLN 52 HB3 GLN 52 1.136 -14.349 -3.441 280 HG2 GLN 52 HG2 GLN 52 2.874 -14.833 -1.666 281 HG3 GLN 52 HG3 GLN 52 2.546 -16.537 -1.966 282 HE21 GLN 52 HE21 GLN 52 2.462 -14.090 -4.451 283 HE22 GLN 52 HE22 GLN 52 3.876 -14.619 -5.293 284 H GLN 53 H GLN 53 -1.681 -16.487 -2.200 285 HA GLN 53 HA GLN 53 -3.190 -14.703 -3.830 286 HB2 GLN 53 HB2 GLN 53 -4.868 -16.433 -3.915 287 HB3 GLN 53 HB3 GLN 53 -3.285 -17.152 -4.107 288 HG2 GLN 53 HG2 GLN 53 -3.856 -18.600 -2.547 289 HG3 GLN 53 HG3 GLN 53 -3.803 -17.278 -1.384 290 HE21 GLN 53 HE21 GLN 53 -6.109 -15.921 -2.585 291 HE22 GLN 53 HE22 GLN 53 -7.500 -16.841 -2.126 292 H GLN 54 H GLN 54 -3.272 -15.662 -0.529 293 HA GLN 54 HA GLN 54 -5.672 -14.477 0.292 294 HB2 GLN 54 HB2 GLN 54 -3.086 -14.803 1.812 295 HB3 GLN 54 HB3 GLN 54 -4.649 -14.460 2.534 296 HG2 GLN 54 HG2 GLN 54 -4.581 -16.839 0.831 297 HG3 GLN 54 HG3 GLN 54 -3.563 -16.922 2.270 298 HE21 GLN 54 HE21 GLN 54 -4.779 -18.407 3.325 299 HE22 GLN 54 HE22 GLN 54 -6.364 -18.083 3.940 300 H VAL 55 H VAL 55 -2.344 -13.193 0.438 301 HA VAL 55 HA VAL 55 -3.130 -10.675 1.422 302 HB VAL 55 HB VAL 55 -0.589 -11.537 0.048 303 HG11 VAL 55 HG11 VAL 55 -1.075 -9.042 1.657 304 HG12 VAL 55 HG12 VAL 55 -1.038 -9.086 -0.105 305 HG13 VAL 55 HG13 VAL 55 0.412 -9.499 0.818 306 HG21 VAL 55 HG21 VAL 55 -0.997 -10.936 2.944 307 HG22 VAL 55 HG22 VAL 55 0.289 -11.873 2.177 308 HG23 VAL 55 HG23 VAL 55 -1.347 -12.543 2.285 309 H ALA 56 H ALA 56 -2.473 -11.851 -1.855 310 HA ALA 56 HA ALA 56 -2.591 -9.386 -3.182 311 HB1 ALA 56 HB1 ALA 56 -1.841 -11.111 -4.528 312 HB2 ALA 56 HB2 ALA 56 -3.479 -10.866 -5.126 313 HB3 ALA 56 HB3 ALA 56 -3.132 -12.203 -4.030 314 H TYR 57 H TYR 57 -5.077 -11.523 -2.000 315 HA TYR 57 HA TYR 57 -7.180 -10.071 -3.320 316 HB2 TYR 57 HB2 TYR 57 -7.016 -12.434 -1.515 317 HB3 TYR 57 HB3 TYR 57 -8.571 -11.626 -1.738 318 HD1 TYR 57 HD2 TYR 57 -6.011 -11.780 -4.402 319 HD2 TYR 57 HD1 TYR 57 -9.609 -13.498 -2.873 320 HE1 TYR 57 HE2 TYR 57 -6.347 -12.963 -6.510 321 HE2 TYR 57 HE1 TYR 57 -9.941 -14.686 -4.999 322 HH TYR 57 HH TYR 57 -9.237 -14.395 -7.405 323 H ALA 58 H ALA 58 -5.873 -10.315 -0.045 324 HA ALA 58 HA ALA 58 -7.789 -8.664 1.234 325 HB1 ALA 58 HB1 ALA 58 -4.931 -9.139 2.074 326 HB2 ALA 58 HB2 ALA 58 -6.264 -10.265 2.364 327 HB3 ALA 58 HB3 ALA 58 -6.292 -8.665 3.100 328 H LEU 59 H LEU 59 -4.561 -8.085 -0.012 329 HA LEU 59 HA LEU 59 -4.604 -5.297 0.736 330 HB2 LEU 59 HB2 LEU 59 -2.675 -7.323 0.285 331 HB3 LEU 59 HB3 LEU 59 -2.340 -6.040 -0.852 332 HG LEU 59 HG LEU 59 -1.883 -4.496 0.839 333 HD11 LEU 59 HD11 LEU 59 -3.402 -6.390 2.595 334 HD12 LEU 59 HD12 LEU 59 -3.778 -4.695 2.225 335 HD13 LEU 59 HD13 LEU 59 -2.396 -5.100 3.258 336 HD21 LEU 59 HD21 LEU 59 -0.990 -7.193 1.809 337 HD22 LEU 59 HD22 LEU 59 -0.300 -5.649 2.318 338 HD23 LEU 59 HD23 LEU 59 -0.152 -6.175 0.639 339 H GLY 60 H GLY 60 -4.515 -7.231 -2.202 340 HA2 GLY 60 HA3 GLY 60 -5.716 -6.308 -4.158 341 HA3 GLY 60 HA2 GLY 60 -4.958 -4.767 -3.761 342 H THR 61 H THR 61 -4.803 -7.092 -5.933 343 HA THR 61 HA THR 61 -2.152 -7.961 -5.938 344 HB THR 61 HB THR 61 -2.497 -8.414 -8.360 345 HG1 THR 61 HG1 THR 61 -4.519 -6.615 -8.000 346 HG21 THR 61 HG21 THR 61 -3.232 -9.958 -6.515 347 HG22 THR 61 HG22 THR 61 -4.129 -10.136 -8.028 348 HG23 THR 61 HG23 THR 61 -4.853 -9.269 -6.673 349 HA PRO 62 HA PRO 62 0.122 -4.317 -6.590 350 HB2 PRO 62 HB2 PRO 62 2.166 -6.086 -7.793 351 HB3 PRO 62 HB3 PRO 62 2.269 -5.061 -6.359 352 HG2 PRO 62 HG2 PRO 62 2.135 -7.714 -6.128 353 HG3 PRO 62 HG3 PRO 62 1.278 -6.656 -4.988 354 HD2 PRO 62 HD2 PRO 62 0.200 -8.152 -7.357 355 HD3 PRO 62 HD3 PRO 62 -0.489 -7.991 -5.729 356 H LEU 63 H LEU 63 1.373 -3.163 -8.198 357 HA LEU 63 HA LEU 63 -0.297 -2.511 -10.293 358 HB2 LEU 63 HB2 LEU 63 2.654 -1.958 -10.300 359 HB3 LEU 63 HB3 LEU 63 1.368 -0.984 -10.985 360 HG LEU 63 HG LEU 63 1.296 -1.444 -8.057 361 HD11 LEU 63 HD11 LEU 63 3.670 -1.034 -8.622 362 HD12 LEU 63 HD12 LEU 63 2.948 0.232 -7.619 363 HD13 LEU 63 HD13 LEU 63 3.193 0.505 -9.348 364 HD21 LEU 63 HD21 LEU 63 -0.421 -0.131 -9.235 365 HD22 LEU 63 HD22 LEU 63 0.832 0.978 -9.797 366 HD23 LEU 63 HD23 LEU 63 0.481 0.843 -8.073 367 H MET 64 H MET 64 2.487 -4.641 -10.289 368 HA MET 64 HA MET 64 2.787 -4.925 -13.074 369 HB2 MET 64 HB2 MET 64 3.808 -7.194 -12.417 370 HB3 MET 64 HB3 MET 64 4.571 -5.729 -11.821 371 HG2 MET 64 HG2 MET 64 3.393 -6.027 -9.677 372 HG3 MET 64 HG3 MET 64 2.740 -7.555 -10.272 373 HE1 MET 64 HE1 MET 64 5.130 -8.895 -7.732 374 HE2 MET 64 HE2 MET 64 3.587 -8.052 -7.971 375 HE3 MET 64 HE3 MET 64 5.021 -7.148 -7.484 376 H SER 65 H SER 65 0.235 -5.886 -11.114 377 HA SER 65 HA SER 65 -1.765 -6.784 -11.634 378 HB2 SER 65 HB2 SER 65 -1.431 -5.694 -13.852 379 HB3 SER 65 HB3 SER 65 -0.722 -7.196 -14.438 380 HG SER 65 HG SER 65 -2.722 -8.224 -13.961 381 H ASP 66 H ASP 66 1.023 -8.472 -11.596 382 HA ASP 66 HA ASP 66 -0.439 -10.989 -11.384 383 HB2 ASP 66 HB2 ASP 66 2.089 -10.601 -12.991 384 HB3 ASP 66 HB3 ASP 66 1.533 -12.173 -12.426 385 HA PRO 67 HA PRO 67 2.060 -10.287 -7.653 386 HB2 PRO 67 HB2 PRO 67 0.342 -11.521 -5.972 387 HB3 PRO 67 HB3 PRO 67 0.061 -9.877 -6.560 388 HG2 PRO 67 HG2 PRO 67 -1.103 -12.462 -7.545 389 HG3 PRO 67 HG3 PRO 67 -1.927 -10.925 -7.215 390 HD2 PRO 67 HD2 PRO 67 -1.194 -11.681 -9.724 391 HD3 PRO 67 HD3 PRO 67 -1.226 -9.983 -9.208 392 H PHE 68 H PHE 68 0.683 -13.256 -8.930 393 HA PHE 68 HA PHE 68 1.955 -14.992 -7.056 394 HB2 PHE 68 HB2 PHE 68 0.669 -15.716 -9.690 395 HB3 PHE 68 HB3 PHE 68 0.927 -16.760 -8.303 396 HD1 PHE 68 HD2 PHE 68 -0.018 -15.196 -6.070 397 HD2 PHE 68 HD1 PHE 68 -1.595 -15.516 -10.004 398 HE1 PHE 68 HE2 PHE 68 -2.253 -14.612 -5.214 399 HE2 PHE 68 HE1 PHE 68 -3.829 -14.925 -9.163 400 HZ PHE 68 HZ PHE 68 -4.162 -14.476 -6.766 401 H GLY 69 H GLY 69 3.342 -13.239 -9.407 402 HA2 GLY 69 HA3 GLY 69 4.952 -15.372 -10.585 403 HA3 GLY 69 HA2 GLY 69 4.997 -13.669 -11.023 404 H THR 70 H THR 70 5.132 -13.016 -8.089 405 HA THR 70 HA THR 70 8.001 -13.577 -7.748 406 HB THR 70 HB THR 70 7.471 -11.230 -8.575 407 HG1 THR 70 HG1 THR 70 9.411 -11.322 -7.597 408 HG21 THR 70 HG21 THR 70 5.397 -10.956 -7.283 409 HG22 THR 70 HG22 THR 70 6.551 -9.650 -6.993 410 HG23 THR 70 HG23 THR 70 6.354 -10.929 -5.795 411 H ASN 71 H ASN 71 8.660 -12.900 -5.422 412 HA ASN 71 HA ASN 71 6.577 -13.754 -3.519 413 HB2 ASN 71 HB2 ASN 71 8.208 -14.946 -2.226 414 HB3 ASN 71 HB3 ASN 71 8.372 -15.482 -3.894 415 HD21 ASN 71 HD21 ASN 71 10.262 -15.466 -1.610 416 HD22 ASN 71 HD22 ASN 71 11.673 -14.643 -2.192 417 H THR 72 H THR 72 8.276 -11.215 -4.543 418 HA THR 72 HA THR 72 8.429 -10.003 -1.869 419 HB THR 72 HB THR 72 10.126 -9.210 -4.241 420 HG1 THR 72 HG1 THR 72 10.534 -11.415 -3.384 421 HG21 THR 72 HG21 THR 72 9.712 -7.545 -2.451 422 HG22 THR 72 HG22 THR 72 11.411 -8.001 -2.600 423 HG23 THR 72 HG23 THR 72 10.427 -8.662 -1.293 424 H TRP 73 H TRP 73 6.740 -8.680 -1.681 425 HA TRP 73 HA TRP 73 5.680 -7.381 -4.102 426 HB2 TRP 73 HB2 TRP 73 4.375 -8.136 -1.487 427 HB3 TRP 73 HB3 TRP 73 3.582 -7.129 -2.693 428 HD1 TRP 73 HD TRP 73 5.455 -9.510 -4.658 429 HE1 TRP 73 HE1 TRP 73 4.017 -11.522 -5.363 430 HE3 TRP 73 HE3 TRP 73 1.538 -8.850 -1.456 431 HZ2 TRP 73 HZ2 TRP 73 1.553 -12.671 -4.653 432 HZ3 TRP 73 HZ3 TRP 73 -0.321 -10.457 -1.534 433 HH2 TRP 73 HH TRP 73 -0.310 -12.324 -3.100 434 H PHE 74 H PHE 74 5.063 -5.179 -4.049 435 HA PHE 74 HA PHE 74 6.333 -3.648 -1.869 436 HB2 PHE 74 HB2 PHE 74 6.265 -2.710 -4.735 437 HB3 PHE 74 HB3 PHE 74 7.250 -2.096 -3.409 438 HD1 PHE 74 HD2 PHE 74 8.927 -3.834 -2.369 439 HD2 PHE 74 HD1 PHE 74 7.211 -4.151 -6.251 440 HE1 PHE 74 HE2 PHE 74 10.754 -5.338 -3.053 441 HE2 PHE 74 HE1 PHE 74 9.032 -5.653 -6.937 442 HZ PHE 74 HZ PHE 74 10.807 -6.245 -5.338 443 H TYR 75 H TYR 75 4.893 -2.528 -0.791 444 HA TYR 75 HA TYR 75 2.727 -1.142 -2.245 445 HB2 TYR 75 HB2 TYR 75 2.537 -2.380 0.504 446 HB3 TYR 75 HB3 TYR 75 1.264 -1.494 -0.295 447 HD1 TYR 75 HD1 TYR 75 0.393 -2.455 -2.529 448 HD2 TYR 75 HD2 TYR 75 2.677 -4.656 0.287 449 HE1 TYR 75 HE1 TYR 75 -0.460 -4.546 -3.502 450 HE2 TYR 75 HE2 TYR 75 1.846 -6.775 -0.677 451 HH TYR 75 HH TYR 75 -0.089 -6.806 -3.609 452 H VAL 76 H VAL 76 1.785 0.631 -0.547 453 HA VAL 76 HA VAL 76 4.160 2.019 0.545 454 HB VAL 76 HB VAL 76 1.837 3.469 -0.732 455 HG11 VAL 76 HG11 VAL 76 3.444 5.313 -0.917 456 HG12 VAL 76 HG12 VAL 76 4.674 4.311 -0.144 457 HG13 VAL 76 HG13 VAL 76 3.235 4.791 0.755 458 HG21 VAL 76 HG21 VAL 76 4.399 2.630 -2.085 459 HG22 VAL 76 HG22 VAL 76 3.204 3.739 -2.758 460 HG23 VAL 76 HG23 VAL 76 2.776 2.052 -2.466 461 H PHE 77 H PHE 77 3.526 3.733 2.194 462 HA PHE 77 HA PHE 77 1.341 2.705 3.842 463 HB2 PHE 77 HB2 PHE 77 3.718 4.435 4.388 464 HB3 PHE 77 HB3 PHE 77 2.319 4.551 5.444 465 HD1 PHE 77 HD2 PHE 77 2.406 1.261 4.275 466 HD2 PHE 77 HD1 PHE 77 4.397 3.891 6.968 467 HE1 PHE 77 HE2 PHE 77 3.191 -0.667 5.571 468 HE2 PHE 77 HE1 PHE 77 5.194 1.959 8.267 469 HZ PHE 77 HZ PHE 77 4.592 -0.323 7.568 470 H ARG 78 H ARG 78 0.428 4.799 5.224 471 HA ARG 78 HA ARG 78 -1.372 5.871 3.293 472 HB2 ARG 78 HB2 ARG 78 -2.598 6.778 5.101 473 HB3 ARG 78 HB1 ARG 78 -1.987 5.230 5.661 474 HG2 ARG 78 HG2 ARG 78 -0.225 6.353 6.895 475 HG3 ARG 78 HG1 ARG 78 -0.797 7.913 6.300 476 HD2 ARG 78 HD2 ARG 78 -3.023 7.346 7.354 477 HD3 ARG 78 HD1 ARG 78 -2.200 6.004 8.148 478 HE ARG 78 HE ARG 78 -0.645 7.951 8.944 479 HH11 ARG 78 HH11 ARG 78 -4.153 7.955 8.682 480 HH12 ARG 78 HH12 ARG 78 -4.363 9.161 9.923 481 HH21 ARG 78 HH21 ARG 78 -0.925 9.523 10.549 482 HH22 ARG 78 HH22 ARG 78 -2.523 10.040 10.992 483 H GLN 79 H GLN 79 -1.978 8.234 3.407 484 HA GLN 79 HA GLN 79 -0.155 9.886 2.296 485 HB2 GLN 79 HB2 GLN 79 -2.510 10.316 2.304 486 HB3 GLN 79 HB3 GLN 79 -2.496 10.555 4.037 487 HG2 GLN 79 HG2 GLN 79 -1.127 12.567 3.733 488 HG3 GLN 79 HG3 GLN 79 -1.209 12.332 1.986 489 HE21 GLN 79 HE21 GLN 79 -2.991 13.176 4.859 490 HE22 GLN 79 HE22 GLN 79 -4.371 13.848 4.043 491 H GLN 80 H GLN 80 1.865 9.862 3.278 492 HA GLN 80 HA GLN 80 2.135 11.720 5.500 493 HB2 GLN 80 HB2 GLN 80 3.909 10.275 6.423 494 HB3 GLN 80 HB3 GLN 80 2.323 9.541 6.488 495 HG2 GLN 80 HG2 GLN 80 2.877 8.239 4.481 496 HG3 GLN 80 HG3 GLN 80 4.500 8.924 4.508 497 HE21 GLN 80 HE21 GLN 80 2.272 6.773 6.052 498 HE22 GLN 80 HE22 GLN 80 3.421 5.952 7.042 499 HA PRO 81 HA PRO 81 5.303 13.792 3.250 500 HB2 PRO 81 HB2 PRO 81 7.209 13.101 5.425 501 HB3 PRO 81 HB3 PRO 81 6.834 14.673 4.716 502 HG2 PRO 81 HG2 PRO 81 5.880 13.969 7.116 503 HG3 PRO 81 HG3 PRO 81 4.927 14.949 5.988 504 HD2 PRO 81 HD2 PRO 81 4.626 12.091 6.733 505 HD3 PRO 81 HD3 PRO 81 3.399 13.260 6.224 506 H GLY 82 H GLY 82 5.809 12.646 1.487 507 HA2 GLY 82 HA3 GLY 82 7.914 10.589 1.754 508 HA3 GLY 82 HA2 GLY 82 6.710 10.603 0.471 509 H HIS 83 H HIS 83 7.641 13.714 1.132 510 HA HIS 83 HA HIS 83 9.763 13.673 -0.912 511 HB2 HIS 83 HB2 HIS 83 7.667 15.823 -0.500 512 HB3 HIS 83 HB1 HIS 83 8.972 15.878 -1.678 513 HD1 HIS 83 HD1 HIS 83 5.569 15.521 -1.763 514 HD2 HIS 83 HD2 HIS 83 8.632 13.126 -3.242 515 HE1 HIS 83 HE1 HIS 83 4.536 14.165 -3.606 516 HE2 HIS 83 HE2 HIS 83 6.434 12.829 -4.584 517 H GLU 84 H GLU 84 11.448 15.174 -0.622 518 HA GLU 84 HA GLU 84 13.033 16.216 0.600 519 HB2 GLU 84 HB2 GLU 84 11.411 18.028 0.501 520 HB3 GLU 84 HB3 GLU 84 10.661 17.436 1.969 521 HG2 GLU 84 HG2 GLU 84 12.649 17.957 3.240 522 HG3 GLU 84 HG3 GLU 84 13.494 18.428 1.765 523 H GLY 85 H GLY 85 11.006 16.299 3.325 524 HA2 GLY 85 HA3 GLY 85 12.800 14.617 4.857 525 HA3 GLY 85 HA2 GLY 85 11.385 15.463 5.474 526 H VAL 86 H VAL 86 12.337 12.752 3.409 527 HA VAL 86 HA VAL 86 9.753 11.600 3.288 528 HB VAL 86 HB VAL 86 12.319 10.110 2.911 529 HG11 VAL 86 HG11 VAL 86 9.587 9.730 1.714 530 HG12 VAL 86 HG12 VAL 86 10.319 8.737 2.977 531 HG13 VAL 86 HG13 VAL 86 11.013 8.756 1.352 532 HG21 VAL 86 HG21 VAL 86 10.895 11.923 0.982 533 HG22 VAL 86 HG22 VAL 86 12.111 10.742 0.496 534 HG23 VAL 86 HG23 VAL 86 12.551 12.068 1.572 535 H THR 87 H THR 87 8.775 10.199 4.537 536 HA THR 87 HA THR 87 10.298 8.708 6.541 537 HB THR 87 HB THR 87 9.264 10.587 7.739 538 HG1 THR 87 HG1 THR 87 8.330 7.955 8.180 539 HG21 THR 87 HG21 THR 87 7.370 11.024 6.261 540 HG22 THR 87 HG22 THR 87 6.814 10.758 7.915 541 HG23 THR 87 HG23 THR 87 6.646 9.479 6.713 542 H GLN 88 H GLN 88 8.205 8.678 3.967 543 HA GLN 88 HA GLN 88 6.377 6.707 4.476 544 HB2 GLN 88 HB2 GLN 88 7.780 7.755 2.095 545 HB3 GLN 88 HB3 GLN 88 6.977 6.203 1.930 546 HG2 GLN 88 HG2 GLN 88 5.566 8.515 3.134 547 HG3 GLN 88 HG3 GLN 88 5.682 8.338 1.382 548 HE21 GLN 88 HE21 GLN 88 3.414 8.263 1.510 549 HE22 GLN 88 HE22 GLN 88 2.597 6.772 1.842 550 H GLN 89 H GLN 89 6.358 4.597 4.518 551 HA GLN 89 HA GLN 89 8.832 3.152 3.969 552 HB2 GLN 89 HB2 GLN 89 6.818 2.549 6.139 553 HB3 GLN 89 HB3 GLN 89 8.189 1.528 5.723 554 HG2 GLN 89 HG2 GLN 89 9.696 3.402 6.294 555 HG3 GLN 89 HG3 GLN 89 8.294 4.320 6.837 556 HE21 GLN 89 HE21 GLN 89 7.223 3.691 8.724 557 HE22 GLN 89 HE22 GLN 89 7.959 2.624 9.876 558 H THR 90 H THR 90 8.646 1.552 2.568 559 HA THR 90 HA THR 90 6.051 1.015 1.409 560 HB THR 90 HB THR 90 7.437 -0.403 -0.187 561 HG1 THR 90 HG1 THR 90 9.323 0.204 1.643 562 HG21 THR 90 HG21 THR 90 6.713 2.061 -0.428 563 HG22 THR 90 HG22 THR 90 7.948 1.433 -1.517 564 HG23 THR 90 HG23 THR 90 8.412 2.431 -0.135 565 H LEU 91 H LEU 91 5.109 -0.997 1.320 566 HA LEU 91 HA LEU 91 5.941 -2.815 3.439 567 HB2 LEU 91 HB2 LEU 91 3.496 -2.164 3.017 568 HB3 LEU 91 HB3 LEU 91 3.592 -3.200 1.604 569 HG LEU 91 HG LEU 91 4.377 -5.025 3.200 570 HD11 LEU 91 HD11 LEU 91 3.390 -4.705 5.499 571 HD12 LEU 91 HD12 LEU 91 3.344 -2.974 5.121 572 HD13 LEU 91 HD13 LEU 91 4.888 -3.832 5.144 573 HD21 LEU 91 HD21 LEU 91 2.122 -5.643 3.852 574 HD22 LEU 91 HD22 LEU 91 2.194 -5.106 2.165 575 HD23 LEU 91 HD23 LEU 91 1.548 -4.029 3.408 576 H THR 92 H THR 92 7.592 -4.021 2.830 577 HA THR 92 HA THR 92 7.576 -5.240 0.170 578 HB THR 92 HB THR 92 9.782 -5.352 2.235 579 HG1 THR 92 HG1 THR 92 8.951 -3.206 1.075 580 HG21 THR 92 HG21 THR 92 9.746 -7.042 0.382 581 HG22 THR 92 HG22 THR 92 11.172 -6.003 0.392 582 HG23 THR 92 HG23 THR 92 9.873 -5.705 -0.763 583 H LEU 93 H LEU 93 6.324 -7.007 0.229 584 HA LEU 93 HA LEU 93 6.109 -8.450 2.730 585 HB2 LEU 93 HB2 LEU 93 4.194 -7.826 1.003 586 HB3 LEU 93 HB3 LEU 93 4.667 -9.368 0.297 587 HG LEU 93 HG LEU 93 4.316 -10.412 2.505 588 HD11 LEU 93 HD11 LEU 93 2.759 -8.767 3.917 589 HD12 LEU 93 HD12 LEU 93 3.852 -7.591 3.205 590 HD13 LEU 93 HD13 LEU 93 4.490 -8.917 4.180 591 HD21 LEU 93 HD21 LEU 93 1.800 -9.005 1.901 592 HD22 LEU 93 HD22 LEU 93 2.098 -10.713 2.197 593 HD23 LEU 93 HD23 LEU 93 2.519 -9.993 0.636 594 H THR 94 H THR 94 7.236 -10.198 3.201 595 HA THR 94 HA THR 94 8.833 -11.397 1.100 596 HB THR 94 HB THR 94 9.093 -11.288 4.097 597 HG1 THR 94 HG1 THR 94 10.379 -9.671 3.665 598 HG21 THR 94 HG21 THR 94 9.747 -13.460 3.275 599 HG22 THR 94 HG22 THR 94 11.148 -12.552 3.843 600 HG23 THR 94 HG23 THR 94 10.838 -12.717 2.112 601 H PHE 95 H PHE 95 8.236 -13.271 0.341 602 HA PHE 95 HA PHE 95 6.577 -15.074 1.976 603 HB2 PHE 95 HB2 PHE 95 6.700 -14.651 -1.006 604 HB3 PHE 95 HB3 PHE 95 5.941 -16.062 -0.290 605 HD1 PHE 95 HD2 PHE 95 4.004 -15.751 1.194 606 HD2 PHE 95 HD1 PHE 95 5.573 -12.585 -1.147 607 HE1 PHE 95 HE2 PHE 95 1.891 -14.543 1.452 608 HE2 PHE 95 HE1 PHE 95 3.453 -11.356 -0.897 609 HZ PHE 95 HZ PHE 95 1.613 -12.349 0.407 610 H ASN 96 H ASN 96 7.176 -17.179 2.202 611 HA ASN 96 HA ASN 96 9.867 -17.903 1.514 612 HB2 ASN 96 HB2 ASN 96 9.317 -20.101 2.525 613 HB3 ASN 96 HB3 ASN 96 8.985 -18.744 3.591 614 HD21 ASN 96 HD21 ASN 96 7.544 -19.834 4.830 615 HD22 ASN 96 HD22 ASN 96 5.972 -20.292 4.279 616 H SER 97 H SER 97 9.965 -20.398 0.682 617 HA SER 97 HA SER 97 9.643 -20.222 -2.058 618 HB2 SER 97 HB2 SER 97 9.735 -22.825 -0.542 619 HB3 SER 97 HB3 SER 97 10.421 -22.454 -2.126 620 HG SER 97 HG SER 97 12.137 -22.279 -0.820 621 H SER 98 H SER 98 7.332 -21.319 0.337 622 HA SER 98 HA SER 98 5.769 -22.780 -1.618 623 HB2 SER 98 HB2 SER 98 6.032 -23.673 0.667 624 HB3 SER 98 HB3 SER 98 5.228 -22.246 1.313 625 HG SER 98 HG SER 98 3.457 -22.940 -0.227 626 H GLY 99 H GLY 99 6.076 -19.594 -0.816 627 HA2 GLY 99 HA3 GLY 99 4.800 -17.802 -1.584 628 HA3 GLY 99 HA2 GLY 99 3.535 -18.934 -2.045 629 H VAL 100 H VAL 100 5.019 -18.809 1.096 630 HA VAL 100 HA VAL 100 2.438 -17.983 2.256 631 HB VAL 100 HB VAL 100 4.578 -19.526 3.701 632 HG11 VAL 100 HG11 VAL 100 2.707 -18.303 4.897 633 HG12 VAL 100 HG12 VAL 100 2.890 -20.017 5.274 634 HG13 VAL 100 HG13 VAL 100 1.610 -19.483 4.181 635 HG21 VAL 100 HG21 VAL 100 2.326 -20.605 2.020 636 HG22 VAL 100 HG22 VAL 100 3.180 -21.556 3.238 637 HG23 VAL 100 HG23 VAL 100 4.058 -20.922 1.841 638 H LEU 101 H LEU 101 2.430 -16.304 3.701 639 HA LEU 101 HA LEU 101 4.510 -14.444 3.714 640 HB2 LEU 101 HB2 LEU 101 1.934 -14.789 5.047 641 HB3 LEU 101 HB3 LEU 101 3.099 -13.841 5.955 642 HG LEU 101 HG LEU 101 2.152 -13.294 3.162 643 HD11 LEU 101 HD11 LEU 101 1.779 -11.781 5.727 644 HD12 LEU 101 HD12 LEU 101 0.538 -12.742 4.919 645 HD13 LEU 101 HD13 LEU 101 1.180 -11.291 4.143 646 HD21 LEU 101 HD21 LEU 101 4.084 -11.748 4.851 647 HD22 LEU 101 HD22 LEU 101 3.523 -11.313 3.241 648 HD23 LEU 101 HD23 LEU 101 4.524 -12.753 3.475 649 H THR 102 H THR 102 6.332 -14.397 4.703 650 HA THR 102 HA THR 102 6.666 -15.927 7.198 651 HB THR 102 HB THR 102 8.975 -16.178 6.714 652 HG1 THR 102 HG1 THR 102 10.018 -14.990 5.079 653 HG21 THR 102 HG21 THR 102 7.320 -17.429 5.241 654 HG22 THR 102 HG22 THR 102 8.981 -17.329 4.657 655 HG23 THR 102 HG23 THR 102 7.741 -16.268 3.981 656 H ASN 103 H ASN 103 7.293 -12.855 5.593 657 HA ASN 103 HA ASN 103 7.203 -11.570 8.218 658 HB2 ASN 103 HB2 ASN 103 9.633 -12.072 7.644 659 HB3 ASN 103 HB3 ASN 103 9.455 -10.912 6.329 660 HD21 ASN 103 HD21 ASN 103 10.805 -9.349 7.072 661 HD22 ASN 103 HD22 ASN 103 10.538 -8.463 8.538 662 H ILE 104 H ILE 104 6.621 -9.430 8.184 663 HA ILE 104 HA ILE 104 5.801 -8.331 5.578 664 HB ILE 104 HB ILE 104 5.096 -7.080 8.217 665 HG12 ILE 104 HG12 ILE 104 4.412 -9.460 8.406 666 HG13 ILE 104 HG13 ILE 104 3.045 -8.354 8.411 667 HG21 ILE 104 HG21 ILE 104 3.669 -7.129 5.551 668 HG22 ILE 104 HG22 ILE 104 4.670 -5.822 6.188 669 HG23 ILE 104 HG23 ILE 104 3.160 -6.247 6.992 670 HD11 ILE 104 HD11 ILE 104 2.771 -8.896 5.967 671 HD12 ILE 104 HD12 ILE 104 2.422 -10.195 7.106 672 HD13 ILE 104 HD13 ILE 104 3.950 -10.187 6.218 673 H ASP 105 H ASP 105 7.834 -7.496 4.910 674 HA ASP 105 HA ASP 105 9.428 -6.004 6.797 675 HB2 ASP 105 HB2 ASP 105 9.779 -6.757 3.902 676 HB3 ASP 105 HB3 ASP 105 10.869 -5.641 4.705 677 H ASN 106 H ASN 106 8.295 -4.178 7.304 678 HA ASN 106 HA ASN 106 7.535 -2.425 5.120 679 HB2 ASN 106 HB2 ASN 106 6.584 -1.028 7.048 680 HB3 ASN 106 HB3 ASN 106 5.793 -2.537 6.669 681 HD21 ASN 106 HD21 ASN 106 4.882 -2.706 8.706 682 HD22 ASN 106 HD22 ASN 106 5.811 -3.087 10.112 683 H LYS 107 H LYS 107 9.179 -1.378 4.352 684 HA LYS 107 HA LYS 107 11.102 -0.173 6.215 685 HB2 LYS 107 HB2 LYS 107 11.686 -1.827 3.784 686 HB3 LYS 107 HB1 LYS 107 12.875 -0.730 4.464 687 HG2 LYS 107 HG2 LYS 107 11.532 -2.617 6.274 688 HG3 LYS 107 HG1 LYS 107 12.761 -3.265 5.186 689 HD2 LYS 107 HD2 LYS 107 14.423 -1.868 6.130 690 HD3 LYS 107 HD1 LYS 107 13.220 -0.878 6.963 691 HE2 LYS 107 HE2 LYS 107 13.790 -3.786 7.551 692 HE3 LYS 107 HE1 LYS 107 14.412 -2.424 8.483 693 HZ1 LYS 107 HZ1 LYS 107 11.583 -3.280 8.195 694 HZ2 LYS 107 HZ2 LYS 107 12.026 -1.780 8.844 695 HZ3 LYS 107 HZ3 LYS 107 12.508 -3.211 9.614 696 HA PRO 108 HA PRO 108 10.533 3.590 4.480 697 HB2 PRO 108 HB2 PRO 108 13.080 4.630 4.467 698 HB3 PRO 108 HB3 PRO 108 12.054 4.481 5.890 699 HG2 PRO 108 HG2 PRO 108 14.351 2.820 5.027 700 HG3 PRO 108 HG3 PRO 108 13.770 3.179 6.660 701 HD2 PRO 108 HD2 PRO 108 13.360 0.794 5.325 702 HD3 PRO 108 HD3 PRO 108 12.367 1.369 6.663 703 H ALA 109 H ALA 109 10.515 4.851 2.704 704 HA ALA 109 HA ALA 109 11.293 3.576 0.250 705 HB1 ALA 109 HB1 ALA 109 9.915 6.209 0.672 706 HB2 ALA 109 HB2 ALA 109 9.127 4.640 0.516 707 HB3 ALA 109 HB3 ALA 109 10.046 5.300 -0.837 708 H LEU 110 H LEU 110 12.710 4.174 -1.177 709 HA LEU 110 HA LEU 110 14.815 4.830 -1.820 710 HB2 LEU 110 HB2 LEU 110 13.371 7.467 -1.729 711 HB3 LEU 110 HB3 LEU 110 14.704 7.031 -2.785 712 HG LEU 110 HG LEU 110 12.008 5.669 -2.838 713 HD11 LEU 110 HD11 LEU 110 13.072 7.653 -4.819 714 HD12 LEU 110 HD12 LEU 110 12.024 8.118 -3.478 715 HD13 LEU 110 HD13 LEU 110 11.441 6.992 -4.704 716 HD21 LEU 110 HD21 LEU 110 13.977 4.384 -3.666 717 HD22 LEU 110 HD22 LEU 110 14.246 5.667 -4.851 718 HD23 LEU 110 HD23 LEU 110 12.761 4.717 -4.900 719 H SER 111 H SER 111 14.388 7.985 -0.461 720 HA SER 111 HA SER 111 16.869 7.759 0.957 721 HB2 SER 111 HB2 SER 111 14.987 10.106 0.666 722 HB3 SER 111 HB3 SER 111 16.663 10.158 1.186 723 HG SER 111 HG SER 111 16.796 8.939 -1.067 724 H GLY 112 H GLY 112 15.756 6.115 2.432 725 HA2 GLY 112 HA3 GLY 112 13.863 7.129 4.329 726 HA3 GLY 112 HA2 GLY 112 14.637 5.561 4.388 727 H ASN 113 H ASN 113 17.234 6.495 4.282 728 HA ASN 113 HA ASN 113 17.731 8.330 6.429 729 HB2 ASN 113 HB2 ASN 113 18.583 6.885 8.069 730 HB3 ASN 113 HB3 ASN 113 17.134 6.057 7.524 731 HD21 ASN 113 HD21 ASN 113 20.556 5.966 7.761 732 HD22 ASN 113 HD22 ASN 113 20.771 4.368 7.125 Start of MODEL 6 1 H1 GLY 17 H1 GLY 17 -6.925 16.366 -29.038 2 H2 GLY 17 H2 GLY 17 -7.892 17.343 -28.040 3 H3 GLY 17 H3 GLY 17 -8.479 15.851 -28.594 4 HA2 GLY 17 HA2 GLY 17 -6.912 14.648 -27.294 5 HA3 GLY 17 HA3 GLY 17 -6.126 16.148 -26.822 6 H SER 18 H SER 18 -6.477 15.394 -24.650 7 HA SER 18 HA SER 18 -7.470 15.593 -22.625 8 HB2 SER 18 HB2 SER 18 -8.051 17.864 -23.582 9 HB3 SER 18 HB3 SER 18 -9.634 17.201 -23.981 10 HG SER 18 HG SER 18 -8.828 16.764 -21.375 11 H HIS 19 H HIS 19 -8.437 13.607 -24.789 12 HA HIS 19 HA HIS 19 -10.613 12.541 -23.122 13 HB2 HIS 19 HB2 HIS 19 -10.503 12.597 -26.146 14 HB3 HIS 19 HB1 HIS 19 -11.549 11.501 -25.252 15 HD1 HIS 19 HD1 HIS 19 -13.683 12.468 -24.224 16 HD2 HIS 19 HD2 HIS 19 -11.270 15.336 -26.035 17 HE1 HIS 19 HE1 HIS 19 -15.080 14.554 -24.348 18 HE2 HIS 19 HE2 HIS 19 -13.571 16.304 -25.340 19 H MET 20 H MET 20 -9.170 11.251 -22.038 20 HA MET 20 HA MET 20 -7.110 9.805 -23.390 21 HB2 MET 20 HB2 MET 20 -8.120 9.691 -20.549 22 HB3 MET 20 HB3 MET 20 -6.742 8.765 -21.133 23 HG2 MET 20 HG2 MET 20 -5.571 10.809 -21.700 24 HG3 MET 20 HG3 MET 20 -6.963 11.764 -21.198 25 HE1 MET 20 HE1 MET 20 -7.714 12.128 -18.733 26 HE2 MET 20 HE2 MET 20 -7.018 11.281 -17.351 27 HE3 MET 20 HE3 MET 20 -7.943 10.386 -18.555 28 H SER 21 H SER 21 -10.038 8.713 -21.649 29 HA SER 21 HA SER 21 -9.927 6.283 -23.293 30 HB2 SER 21 HB2 SER 21 -11.518 5.378 -21.491 31 HB3 SER 21 HB3 SER 21 -9.837 5.620 -21.024 32 HG SER 21 HG SER 21 -11.364 6.454 -19.489 33 H THR 22 H THR 22 -10.867 8.747 -24.264 34 HA THR 22 HA THR 22 -12.553 9.653 -25.471 35 HB THR 22 HB THR 22 -14.053 7.089 -24.889 36 HG1 THR 22 HG1 THR 22 -11.972 7.069 -26.143 37 HG21 THR 22 HG21 THR 22 -15.432 7.708 -26.822 38 HG22 THR 22 HG22 THR 22 -14.556 9.232 -26.960 39 HG23 THR 22 HG23 THR 22 -15.555 8.915 -25.542 40 H LEU 23 H LEU 23 -14.211 7.880 -22.843 41 HA LEU 23 HA LEU 23 -15.677 10.317 -22.182 42 HB2 LEU 23 HB2 LEU 23 -15.912 7.487 -21.144 43 HB3 LEU 23 HB3 LEU 23 -16.872 8.827 -20.553 44 HG LEU 23 HG LEU 23 -18.281 7.698 -22.033 45 HD11 LEU 23 HD11 LEU 23 -17.039 9.947 -23.600 46 HD12 LEU 23 HD12 LEU 23 -18.335 10.083 -22.410 47 HD13 LEU 23 HD13 LEU 23 -18.612 9.217 -23.922 48 HD21 LEU 23 HD21 LEU 23 -16.631 6.245 -23.074 49 HD22 LEU 23 HD22 LEU 23 -16.028 7.599 -24.029 50 HD23 LEU 23 HD23 LEU 23 -17.666 6.999 -24.286 51 H GLU 24 H GLU 24 -15.524 11.326 -20.194 52 HA GLU 24 HA GLU 24 -12.968 11.067 -18.898 53 HB2 GLU 24 HB2 GLU 24 -13.781 13.020 -17.560 54 HB3 GLU 24 HB3 GLU 24 -13.772 13.281 -19.299 55 HG2 GLU 24 HG2 GLU 24 -16.237 12.620 -19.233 56 HG3 GLU 24 HG3 GLU 24 -16.113 12.819 -17.485 57 H ARG 25 H ARG 25 -14.348 8.747 -18.532 58 HA ARG 25 HA ARG 25 -15.602 8.779 -15.906 59 HB2 ARG 25 HB2 ARG 25 -15.034 6.507 -17.817 60 HB3 ARG 25 HB1 ARG 25 -15.932 6.358 -16.312 61 HG2 ARG 25 HG2 ARG 25 -17.631 7.885 -17.163 62 HG3 ARG 25 HG1 ARG 25 -16.728 8.052 -18.671 63 HD2 ARG 25 HD2 ARG 25 -17.005 5.679 -19.120 64 HD3 ARG 25 HD1 ARG 25 -17.857 5.471 -17.591 65 HE ARG 25 HE ARG 25 -18.978 7.369 -19.505 66 HH11 ARG 25 HH11 ARG 25 -19.075 4.175 -18.063 67 HH12 ARG 25 HH12 ARG 25 -20.731 3.891 -18.519 68 HH21 ARG 25 HH21 ARG 25 -21.115 6.993 -20.130 69 HH22 ARG 25 HH22 ARG 25 -21.900 5.496 -19.728 70 H VAL 26 H VAL 26 -12.536 8.710 -17.091 71 HA VAL 26 HA VAL 26 -11.423 6.898 -15.114 72 HB VAL 26 HB VAL 26 -10.513 6.998 -17.421 73 HG11 VAL 26 HG11 VAL 26 -10.743 9.330 -17.913 74 HG12 VAL 26 HG12 VAL 26 -9.044 8.878 -18.053 75 HG13 VAL 26 HG13 VAL 26 -9.609 9.754 -16.632 76 HG21 VAL 26 HG21 VAL 26 -8.138 7.009 -16.812 77 HG22 VAL 26 HG22 VAL 26 -9.123 6.125 -15.646 78 HG23 VAL 26 HG23 VAL 26 -8.549 7.749 -15.264 79 H VAL 27 H VAL 27 -12.877 9.171 -14.171 80 HA VAL 27 HA VAL 27 -11.021 11.104 -13.169 81 HB VAL 27 HB VAL 27 -13.632 11.292 -13.535 82 HG11 VAL 27 HG11 VAL 27 -14.264 9.526 -11.997 83 HG12 VAL 27 HG12 VAL 27 -14.877 11.079 -11.427 84 HG13 VAL 27 HG13 VAL 27 -13.447 10.363 -10.675 85 HG21 VAL 27 HG21 VAL 27 -12.186 12.571 -11.222 86 HG22 VAL 27 HG22 VAL 27 -13.695 13.152 -11.927 87 HG23 VAL 27 HG23 VAL 27 -12.217 13.143 -12.890 88 H TYR 28 H TYR 28 -10.839 11.414 -10.738 89 HA TYR 28 HA TYR 28 -9.904 8.913 -9.641 90 HB2 TYR 28 HB2 TYR 28 -8.923 11.388 -9.520 91 HB3 TYR 28 HB3 TYR 28 -9.846 11.397 -8.022 92 HD1 TYR 28 HD2 TYR 28 -7.295 9.466 -9.887 93 HD2 TYR 28 HD1 TYR 28 -8.953 10.406 -6.087 94 HE1 TYR 28 HE2 TYR 28 -5.492 8.198 -8.799 95 HE2 TYR 28 HE1 TYR 28 -7.157 9.141 -4.984 96 HH TYR 28 HH TYR 28 -4.419 7.894 -6.762 97 H ARG 29 H ARG 29 -10.566 8.005 -7.691 98 HA ARG 29 HA ARG 29 -13.352 8.571 -7.047 99 HB2 ARG 29 HB2 ARG 29 -13.354 6.343 -5.990 100 HB3 ARG 29 HB1 ARG 29 -12.916 6.280 -7.689 101 HG2 ARG 29 HG2 ARG 29 -10.630 5.900 -7.173 102 HG3 ARG 29 HG1 ARG 29 -10.891 6.264 -5.466 103 HD2 ARG 29 HD2 ARG 29 -12.105 3.940 -6.961 104 HD3 ARG 29 HD1 ARG 29 -10.705 3.846 -5.891 105 HE ARG 29 HE ARG 29 -12.440 4.860 -4.209 106 HH11 ARG 29 HH11 ARG 29 -12.944 2.311 -6.567 107 HH12 ARG 29 HH12 ARG 29 -14.219 1.558 -5.655 108 HH21 ARG 29 HH21 ARG 29 -14.123 3.886 -3.026 109 HH22 ARG 29 HH22 ARG 29 -14.903 2.460 -3.658 110 HA PRO 30 HA PRO 30 -12.642 10.245 -2.994 111 HB2 PRO 30 HB2 PRO 30 -14.696 8.257 -2.178 112 HB3 PRO 30 HB3 PRO 30 -14.632 9.993 -1.896 113 HG2 PRO 30 HG2 PRO 30 -16.269 8.967 -3.719 114 HG3 PRO 30 HG3 PRO 30 -15.441 10.512 -3.975 115 HD2 PRO 30 HD2 PRO 30 -14.883 7.861 -5.168 116 HD3 PRO 30 HD3 PRO 30 -14.680 9.478 -5.849 117 H ASP 31 H ASP 31 -12.325 9.456 -0.701 118 HA ASP 31 HA ASP 31 -11.103 8.342 0.813 119 HB2 ASP 31 HB2 ASP 31 -12.483 6.450 0.590 120 HB3 ASP 31 HB3 ASP 31 -11.766 5.991 -0.947 121 H ILE 32 H ILE 32 -9.237 9.121 0.860 122 HA ILE 32 HA ILE 32 -7.157 9.808 0.413 123 HB ILE 32 HB ILE 32 -6.995 6.939 -0.408 124 HG12 ILE 32 HG12 ILE 32 -7.929 7.628 1.859 125 HG13 ILE 32 HG13 ILE 32 -6.589 6.516 1.856 126 HG21 ILE 32 HG21 ILE 32 -4.620 7.199 0.342 127 HG22 ILE 32 HG22 ILE 32 -4.870 8.951 0.262 128 HG23 ILE 32 HG23 ILE 32 -5.014 7.965 -1.203 129 HD11 ILE 32 HD11 ILE 32 -6.541 8.368 3.551 130 HD12 ILE 32 HD12 ILE 32 -6.175 9.445 2.204 131 HD13 ILE 32 HD13 ILE 32 -5.079 8.116 2.608 132 H ASN 33 H ASN 33 -5.617 10.494 -1.062 133 HA ASN 33 HA ASN 33 -6.574 10.625 -3.837 134 HB2 ASN 33 HB2 ASN 33 -4.505 12.331 -2.442 135 HB3 ASN 33 HB3 ASN 33 -5.188 12.608 -4.038 136 HD21 ASN 33 HD21 ASN 33 -5.829 12.564 -0.623 137 HD22 ASN 33 HD22 ASN 33 -7.253 13.536 -0.666 138 H GLN 34 H GLN 34 -5.022 8.440 -2.526 139 HA GLN 34 HA GLN 34 -3.066 8.135 -4.622 140 HB2 GLN 34 HB2 GLN 34 -1.194 7.692 -3.195 141 HB3 GLN 34 HB3 GLN 34 -1.880 9.246 -2.769 142 HG2 GLN 34 HG2 GLN 34 -3.054 8.173 -0.901 143 HG3 GLN 34 HG3 GLN 34 -2.214 6.671 -1.268 144 HE21 GLN 34 HE21 GLN 34 -1.086 10.009 -1.256 145 HE22 GLN 34 HE22 GLN 34 0.097 9.770 -0.036 146 H GLY 35 H GLY 35 -5.395 6.955 -4.414 147 HA2 GLY 35 HA3 GLY 35 -5.234 4.396 -3.088 148 HA3 GLY 35 HA2 GLY 35 -6.538 4.953 -4.123 149 H ASN 36 H ASN 36 -6.637 2.986 -5.205 150 HA ASN 36 HA ASN 36 -6.297 1.664 -7.018 151 HB2 ASN 36 HB2 ASN 36 -5.443 3.673 -8.211 152 HB3 ASN 36 HB3 ASN 36 -3.832 3.316 -7.608 153 HD21 ASN 36 HD21 ASN 36 -3.032 3.149 -9.662 154 HD22 ASN 36 HD22 ASN 36 -3.359 1.785 -10.662 155 H TYR 37 H TYR 37 -3.290 2.434 -5.295 156 HA TYR 37 HA TYR 37 -2.713 -0.434 -5.203 157 HB2 TYR 37 HB2 TYR 37 -0.393 0.374 -4.505 158 HB3 TYR 37 HB3 TYR 37 -0.854 0.641 -6.178 159 HD1 TYR 37 HD2 TYR 37 -0.679 2.331 -2.873 160 HD2 TYR 37 HD1 TYR 37 -0.714 2.777 -7.100 161 HE1 TYR 37 HE2 TYR 37 -0.142 4.715 -2.617 162 HE2 TYR 37 HE1 TYR 37 -0.178 5.164 -6.860 163 HH TYR 37 HH TYR 37 0.852 6.531 -3.920 164 H LEU 38 H LEU 38 -1.019 -0.425 -2.992 165 HA LEU 38 HA LEU 38 -2.992 -0.471 -0.919 166 HB2 LEU 38 HB2 LEU 38 -0.227 -1.395 -1.264 167 HB3 LEU 38 HB3 LEU 38 -0.707 -1.021 0.361 168 HG LEU 38 HG LEU 38 -0.976 -3.373 -0.028 169 HD11 LEU 38 HD11 LEU 38 -2.624 -2.135 1.357 170 HD12 LEU 38 HD12 LEU 38 -3.206 -3.667 0.701 171 HD13 LEU 38 HD13 LEU 38 -3.710 -2.133 -0.036 172 HD21 LEU 38 HD21 LEU 38 -2.767 -2.584 -2.319 173 HD22 LEU 38 HD22 LEU 38 -2.552 -4.225 -1.706 174 HD23 LEU 38 HD23 LEU 38 -1.193 -3.373 -2.438 175 H THR 39 H THR 39 -2.941 0.573 0.983 176 HA THR 39 HA THR 39 -0.963 2.688 1.378 177 HB THR 39 HB THR 39 -2.572 4.154 2.379 178 HG1 THR 39 HG1 THR 39 -4.483 2.067 1.906 179 HG21 THR 39 HG21 THR 39 -2.466 3.701 -0.238 180 HG22 THR 39 HG22 THR 39 -3.528 4.913 0.477 181 HG23 THR 39 HG23 THR 39 -4.169 3.330 0.031 182 H ALA 40 H ALA 40 -1.396 3.414 3.905 183 HA ALA 40 HA ALA 40 -0.285 1.229 5.331 184 HB1 ALA 40 HB1 ALA 40 -1.415 3.787 6.452 185 HB2 ALA 40 HB2 ALA 40 0.234 3.556 5.872 186 HB3 ALA 40 HB3 ALA 40 -0.337 2.665 7.282 187 H ASN 41 H ASN 41 -3.497 2.703 5.385 188 HA ASN 41 HA ASN 41 -4.525 1.267 7.574 189 HB2 ASN 41 HB2 ASN 41 -5.872 2.564 5.206 190 HB3 ASN 41 HB3 ASN 41 -6.753 1.790 6.500 191 HD21 ASN 41 HD21 ASN 41 -3.854 3.388 7.280 192 HD22 ASN 41 HD22 ASN 41 -4.567 4.776 8.013 193 H ASP 42 H ASP 42 -4.482 0.589 4.125 194 HA ASP 42 HA ASP 42 -6.055 -1.764 4.272 195 HB2 ASP 42 HB2 ASP 42 -4.027 -1.013 2.161 196 HB3 ASP 42 HB3 ASP 42 -5.302 -2.214 2.001 197 H VAL 43 H VAL 43 -2.616 -1.126 4.593 198 HA VAL 43 HA VAL 43 -1.629 -3.726 4.376 199 HB VAL 43 HB VAL 43 -0.633 -1.422 6.054 200 HG11 VAL 43 HG11 VAL 43 0.766 -4.025 5.480 201 HG12 VAL 43 HG12 VAL 43 0.092 -3.557 7.045 202 HG13 VAL 43 HG13 VAL 43 1.440 -2.647 6.356 203 HG21 VAL 43 HG21 VAL 43 0.608 -2.622 3.636 204 HG22 VAL 43 HG22 VAL 43 0.910 -1.038 4.349 205 HG23 VAL 43 HG23 VAL 43 -0.612 -1.359 3.510 206 H SER 44 H SER 44 -3.138 -2.112 7.111 207 HA SER 44 HA SER 44 -2.438 -3.964 9.099 208 HB2 SER 44 HB2 SER 44 -4.082 -2.898 10.470 209 HB3 SER 44 HB3 SER 44 -3.305 -1.678 9.471 210 HG SER 44 HG SER 44 -5.135 -1.843 8.044 211 H LYS 45 H LYS 45 -4.497 -4.291 6.489 212 HA LYS 45 HA LYS 45 -6.509 -5.967 7.644 213 HB2 LYS 45 HB2 LYS 45 -5.765 -5.431 4.785 214 HB3 LYS 45 HB1 LYS 45 -7.186 -6.326 5.301 215 HG2 LYS 45 HG2 LYS 45 -8.081 -4.369 6.385 216 HG3 LYS 45 HG1 LYS 45 -6.609 -3.461 6.024 217 HD2 LYS 45 HD2 LYS 45 -8.358 -2.892 4.437 218 HD3 LYS 45 HD1 LYS 45 -7.049 -3.750 3.621 219 HE2 LYS 45 HE2 LYS 45 -8.421 -5.857 4.031 220 HE3 LYS 45 HE1 LYS 45 -9.761 -4.771 4.392 221 HZ1 LYS 45 HZ1 LYS 45 -8.310 -5.078 1.828 222 HZ2 LYS 45 HZ2 LYS 45 -9.279 -3.727 2.152 223 HZ3 LYS 45 HZ3 LYS 45 -9.967 -5.275 2.123 224 H ILE 46 H ILE 46 -3.300 -6.551 6.603 225 HA ILE 46 HA ILE 46 -3.898 -9.366 6.155 226 HB ILE 46 HB ILE 46 -1.596 -9.567 5.316 227 HG12 ILE 46 HG12 ILE 46 -1.524 -6.546 5.303 228 HG13 ILE 46 HG13 ILE 46 -0.697 -7.538 6.504 229 HG21 ILE 46 HG21 ILE 46 -2.050 -8.578 3.168 230 HG22 ILE 46 HG22 ILE 46 -3.290 -7.550 3.887 231 HG23 ILE 46 HG23 ILE 46 -3.503 -9.301 3.854 232 HD11 ILE 46 HD11 ILE 46 -0.230 -7.966 3.581 233 HD12 ILE 46 HD12 ILE 46 0.807 -8.377 4.957 234 HD13 ILE 46 HD13 ILE 46 0.622 -6.687 4.470 235 H ARG 47 H ARG 47 -1.732 -10.637 6.663 236 HA ARG 47 HA ARG 47 -0.432 -10.161 9.110 237 HB2 ARG 47 HB2 ARG 47 -1.554 -11.735 10.563 238 HB3 ARG 47 HB1 ARG 47 -2.747 -10.582 9.989 239 HG2 ARG 47 HG2 ARG 47 -2.373 -13.210 8.612 240 HG3 ARG 47 HG1 ARG 47 -3.372 -13.072 10.065 241 HD2 ARG 47 HD2 ARG 47 -3.733 -11.542 7.488 242 HD3 ARG 47 HD1 ARG 47 -4.716 -12.902 8.031 243 HE ARG 47 HE ARG 47 -4.636 -10.674 9.865 244 HH11 ARG 47 HH11 ARG 47 -6.296 -12.158 7.164 245 HH12 ARG 47 HH12 ARG 47 -7.754 -11.241 7.391 246 HH21 ARG 47 HH21 ARG 47 -6.546 -9.450 10.154 247 HH22 ARG 47 HH22 ARG 47 -7.891 -9.704 9.083 248 H VAL 48 H VAL 48 1.019 -11.821 9.605 249 HA VAL 48 HA VAL 48 1.927 -13.259 7.332 250 HB VAL 48 HB VAL 48 2.922 -13.968 10.019 251 HG11 VAL 48 HG11 VAL 48 4.283 -13.164 7.457 252 HG12 VAL 48 HG12 VAL 48 3.954 -14.823 7.968 253 HG13 VAL 48 HG13 VAL 48 5.074 -13.822 8.892 254 HG21 VAL 48 HG21 VAL 48 3.194 -11.240 8.807 255 HG22 VAL 48 HG22 VAL 48 4.263 -11.848 10.073 256 HG23 VAL 48 HG23 VAL 48 2.537 -11.641 10.394 257 H GLY 49 H GLY 49 1.932 -15.490 6.978 258 HA2 GLY 49 HA3 GLY 49 1.514 -17.725 7.962 259 HA3 GLY 49 HA2 GLY 49 0.090 -17.014 8.710 260 H MET 50 H MET 50 -0.640 -15.468 6.326 261 HA MET 50 HA MET 50 -1.894 -17.655 4.899 262 HB2 MET 50 HB2 MET 50 -3.130 -15.804 3.686 263 HB3 MET 50 HB3 MET 50 -3.481 -16.024 5.389 264 HG2 MET 50 HG2 MET 50 -2.064 -14.108 5.911 265 HG3 MET 50 HG3 MET 50 -1.687 -13.929 4.208 266 HE1 MET 50 HE1 MET 50 -3.703 -10.920 4.107 267 HE2 MET 50 HE2 MET 50 -2.155 -11.642 4.572 268 HE3 MET 50 HE3 MET 50 -3.329 -11.206 5.813 269 H THR 51 H THR 51 -2.285 -16.924 2.409 270 HA THR 51 HA THR 51 0.380 -17.418 1.367 271 HB THR 51 HB THR 51 -0.682 -18.217 -0.631 272 HG1 THR 51 HG1 THR 51 -3.252 -18.134 -0.194 273 HG21 THR 51 HG21 THR 51 -2.001 -19.074 1.904 274 HG22 THR 51 HG22 THR 51 -0.655 -19.843 1.062 275 HG23 THR 51 HG23 THR 51 -2.280 -19.895 0.373 276 H GLN 52 H GLN 52 0.562 -16.622 -1.057 277 HA GLN 52 HA GLN 52 0.555 -13.809 -1.144 278 HB2 GLN 52 HB2 GLN 52 0.602 -15.766 -3.451 279 HB3 GLN 52 HB3 GLN 52 1.064 -14.078 -3.511 280 HG2 GLN 52 HG2 GLN 52 2.814 -14.632 -1.780 281 HG3 GLN 52 HG3 GLN 52 2.458 -16.325 -2.120 282 HE21 GLN 52 HE21 GLN 52 3.825 -13.388 -3.329 283 HE22 GLN 52 HE22 GLN 52 4.636 -14.075 -4.695 284 H GLN 53 H GLN 53 -1.627 -16.292 -2.389 285 HA GLN 53 HA GLN 53 -3.372 -14.657 -3.814 286 HB2 GLN 53 HB2 GLN 53 -3.241 -17.373 -2.889 287 HB3 GLN 53 HB3 GLN 53 -4.872 -16.745 -2.680 288 HG2 GLN 53 HG2 GLN 53 -3.526 -16.206 -5.248 289 HG3 GLN 53 HG3 GLN 53 -4.035 -17.856 -4.918 290 HE21 GLN 53 HE21 GLN 53 -5.798 -15.200 -3.524 291 HE22 GLN 53 HE22 GLN 53 -7.182 -15.328 -4.557 292 H GLN 54 H GLN 54 -3.251 -15.506 -0.417 293 HA GLN 54 HA GLN 54 -5.744 -14.381 0.263 294 HB2 GLN 54 HB2 GLN 54 -3.319 -14.704 2.029 295 HB3 GLN 54 HB3 GLN 54 -4.976 -14.500 2.572 296 HG2 GLN 54 HG2 GLN 54 -4.732 -16.773 0.812 297 HG3 GLN 54 HG3 GLN 54 -3.599 -16.879 2.156 298 HE21 GLN 54 HE21 GLN 54 -4.616 -18.522 3.193 299 HE22 GLN 54 HE22 GLN 54 -6.170 -18.358 3.948 300 H VAL 55 H VAL 55 -2.408 -13.133 0.555 301 HA VAL 55 HA VAL 55 -3.163 -10.652 1.638 302 HB VAL 55 HB VAL 55 -0.645 -11.452 0.185 303 HG11 VAL 55 HG11 VAL 55 -1.124 -9.012 1.882 304 HG12 VAL 55 HG12 VAL 55 -1.122 -8.996 0.120 305 HG13 VAL 55 HG13 VAL 55 0.350 -9.424 1.002 306 HG21 VAL 55 HG21 VAL 55 -0.967 -10.914 3.100 307 HG22 VAL 55 HG22 VAL 55 0.274 -11.861 2.272 308 HG23 VAL 55 HG23 VAL 55 -1.368 -12.500 2.432 309 H ALA 56 H ALA 56 -2.561 -11.685 -1.703 310 HA ALA 56 HA ALA 56 -2.661 -9.161 -2.919 311 HB1 ALA 56 HB1 ALA 56 -1.980 -10.761 -4.411 312 HB2 ALA 56 HB2 ALA 56 -3.669 -10.597 -4.881 313 HB3 ALA 56 HB3 ALA 56 -3.168 -11.939 -3.854 314 H TYR 57 H TYR 57 -5.174 -11.296 -1.795 315 HA TYR 57 HA TYR 57 -7.275 -9.733 -2.986 316 HB2 TYR 57 HB2 TYR 57 -7.098 -12.218 -1.373 317 HB3 TYR 57 HB3 TYR 57 -8.636 -11.349 -1.403 318 HD1 TYR 57 HD2 TYR 57 -6.261 -11.409 -4.258 319 HD2 TYR 57 HD1 TYR 57 -9.861 -13.018 -2.600 320 HE1 TYR 57 HE2 TYR 57 -6.833 -12.388 -6.424 321 HE2 TYR 57 HE1 TYR 57 -10.420 -14.001 -4.780 322 HH TYR 57 HH TYR 57 -9.944 -13.745 -7.088 323 H ALA 58 H ALA 58 -5.898 -10.174 0.240 324 HA ALA 58 HA ALA 58 -7.794 -8.605 1.645 325 HB1 ALA 58 HB1 ALA 58 -4.929 -9.117 2.421 326 HB2 ALA 58 HB2 ALA 58 -6.241 -10.287 2.632 327 HB3 ALA 58 HB3 ALA 58 -6.293 -8.746 3.487 328 H LEU 59 H LEU 59 -4.685 -7.973 0.199 329 HA LEU 59 HA LEU 59 -4.648 -5.216 1.112 330 HB2 LEU 59 HB2 LEU 59 -2.751 -7.241 0.522 331 HB3 LEU 59 HB3 LEU 59 -2.459 -5.932 -0.599 332 HG LEU 59 HG LEU 59 -1.919 -4.431 1.121 333 HD11 LEU 59 HD11 LEU 59 -3.386 -6.382 2.828 334 HD12 LEU 59 HD12 LEU 59 -3.669 -4.648 2.651 335 HD13 LEU 59 HD13 LEU 59 -2.260 -5.231 3.546 336 HD21 LEU 59 HD21 LEU 59 -0.987 -7.155 1.953 337 HD22 LEU 59 HD22 LEU 59 -0.248 -5.625 2.435 338 HD23 LEU 59 HD23 LEU 59 -0.224 -6.126 0.742 339 H GLY 60 H GLY 60 -4.374 -7.012 -1.915 340 HA2 GLY 60 HA3 GLY 60 -5.669 -5.965 -3.834 341 HA3 GLY 60 HA2 GLY 60 -4.784 -4.503 -3.396 342 H THR 61 H THR 61 -4.781 -6.533 -5.751 343 HA THR 61 HA THR 61 -2.243 -7.737 -5.718 344 HB THR 61 HB THR 61 -2.636 -7.991 -8.195 345 HG1 THR 61 HG1 THR 61 -3.982 -6.400 -8.824 346 HG21 THR 61 HG21 THR 61 -3.402 -9.565 -6.345 347 HG22 THR 61 HG22 THR 61 -4.254 -9.692 -7.887 348 HG23 THR 61 HG23 THR 61 -5.003 -8.843 -6.533 349 HA PRO 62 HA PRO 62 0.436 -4.358 -6.329 350 HB2 PRO 62 HB2 PRO 62 2.302 -6.253 -7.575 351 HB3 PRO 62 HB3 PRO 62 2.448 -5.361 -6.065 352 HG2 PRO 62 HG2 PRO 62 2.041 -8.014 -6.108 353 HG3 PRO 62 HG3 PRO 62 1.357 -6.977 -4.840 354 HD2 PRO 62 HD2 PRO 62 0.034 -8.134 -7.268 355 HD3 PRO 62 HD3 PRO 62 -0.585 -7.995 -5.610 356 H LEU 63 H LEU 63 1.963 -3.466 -7.945 357 HA LEU 63 HA LEU 63 0.736 -2.557 -10.202 358 HB2 LEU 63 HB2 LEU 63 3.697 -3.060 -10.068 359 HB3 LEU 63 HB3 LEU 63 2.855 -1.733 -10.850 360 HG LEU 63 HG LEU 63 2.750 -2.112 -7.868 361 HD11 LEU 63 HD11 LEU 63 5.110 -2.006 -8.577 362 HD12 LEU 63 HD12 LEU 63 4.620 -0.581 -7.658 363 HD13 LEU 63 HD13 LEU 63 4.777 -0.488 -9.412 364 HD21 LEU 63 HD21 LEU 63 1.114 -0.602 -8.916 365 HD22 LEU 63 HD22 LEU 63 2.436 0.321 -9.634 366 HD23 LEU 63 HD23 LEU 63 2.248 0.266 -7.880 367 H MET 64 H MET 64 3.091 -5.224 -10.029 368 HA MET 64 HA MET 64 2.590 -6.203 -12.636 369 HB2 MET 64 HB2 MET 64 3.543 -8.353 -11.744 370 HB3 MET 64 HB3 MET 64 4.576 -6.945 -11.542 371 HG2 MET 64 HG2 MET 64 2.768 -7.795 -9.326 372 HG3 MET 64 HG3 MET 64 4.285 -8.647 -9.597 373 HE1 MET 64 HE1 MET 64 5.834 -7.982 -7.473 374 HE2 MET 64 HE2 MET 64 4.107 -7.984 -7.111 375 HE3 MET 64 HE3 MET 64 5.132 -6.676 -6.505 376 H SER 65 H SER 65 0.943 -7.378 -13.416 377 HA SER 65 HA SER 65 -1.436 -7.515 -11.892 378 HB2 SER 65 HB2 SER 65 -1.358 -7.085 -14.344 379 HB3 SER 65 HB3 SER 65 -0.865 -8.761 -14.585 380 HG SER 65 HG SER 65 -2.928 -9.130 -13.241 381 H ASP 66 H ASP 66 1.151 -9.558 -11.987 382 HA ASP 66 HA ASP 66 -0.487 -11.768 -10.965 383 HB2 ASP 66 HB2 ASP 66 1.246 -13.340 -11.762 384 HB3 ASP 66 HB3 ASP 66 0.475 -12.465 -13.075 385 HA PRO 67 HA PRO 67 1.906 -10.248 -7.385 386 HB2 PRO 67 HB2 PRO 67 0.284 -11.640 -5.619 387 HB3 PRO 67 HB3 PRO 67 -0.016 -9.990 -6.171 388 HG2 PRO 67 HG2 PRO 67 -1.202 -12.561 -7.129 389 HG3 PRO 67 HG3 PRO 67 -1.992 -10.991 -6.882 390 HD2 PRO 67 HD2 PRO 67 -1.304 -11.857 -9.337 391 HD3 PRO 67 HD3 PRO 67 -1.181 -10.139 -8.893 392 H PHE 68 H PHE 68 0.820 -13.533 -8.110 393 HA PHE 68 HA PHE 68 2.723 -14.721 -6.318 394 HB2 PHE 68 HB2 PHE 68 1.781 -16.840 -7.563 395 HB3 PHE 68 HB3 PHE 68 0.831 -16.015 -6.338 396 HD1 PHE 68 HD1 PHE 68 1.313 -16.424 -9.984 397 HD2 PHE 68 HD2 PHE 68 -1.217 -15.026 -6.864 398 HE1 PHE 68 HE1 PHE 68 -0.510 -16.121 -11.606 399 HE2 PHE 68 HE2 PHE 68 -3.048 -14.717 -8.483 400 HZ PHE 68 HZ PHE 68 -2.693 -15.264 -10.859 401 H GLY 69 H GLY 69 3.260 -13.237 -9.094 402 HA2 GLY 69 HA3 GLY 69 4.912 -15.275 -10.367 403 HA3 GLY 69 HA2 GLY 69 4.671 -13.623 -10.930 404 H THR 70 H THR 70 5.153 -12.842 -8.030 405 HA THR 70 HA THR 70 8.081 -13.128 -7.983 406 HB THR 70 HB THR 70 7.279 -10.803 -8.627 407 HG1 THR 70 HG1 THR 70 9.096 -10.211 -7.718 408 HG21 THR 70 HG21 THR 70 5.289 -10.751 -7.206 409 HG22 THR 70 HG22 THR 70 6.373 -9.395 -6.859 410 HG23 THR 70 HG23 THR 70 6.323 -10.784 -5.772 411 H ASN 71 H ASN 71 8.844 -12.495 -5.640 412 HA ASN 71 HA ASN 71 6.928 -13.569 -3.676 413 HB2 ASN 71 HB2 ASN 71 8.718 -14.709 -2.514 414 HB3 ASN 71 HB3 ASN 71 8.712 -15.228 -4.195 415 HD21 ASN 71 HD21 ASN 71 10.414 -13.477 -1.741 416 HD22 ASN 71 HD22 ASN 71 11.891 -13.282 -2.613 417 H THR 72 H THR 72 8.260 -10.871 -4.647 418 HA THR 72 HA THR 72 8.547 -9.788 -1.935 419 HB THR 72 HB THR 72 10.133 -8.785 -4.293 420 HG1 THR 72 HG1 THR 72 10.971 -10.651 -2.285 421 HG21 THR 72 HG21 THR 72 9.829 -7.307 -2.349 422 HG22 THR 72 HG22 THR 72 11.514 -7.787 -2.562 423 HG23 THR 72 HG23 THR 72 10.528 -8.550 -1.314 424 H TRP 73 H TRP 73 6.864 -8.472 -1.638 425 HA TRP 73 HA TRP 73 5.740 -7.049 -3.961 426 HB2 TRP 73 HB2 TRP 73 4.524 -7.845 -1.309 427 HB3 TRP 73 HB3 TRP 73 3.698 -6.834 -2.486 428 HD1 TRP 73 HD TRP 73 5.452 -9.163 -4.568 429 HE1 TRP 73 HE1 TRP 73 4.002 -11.188 -5.210 430 HE3 TRP 73 HE3 TRP 73 1.735 -8.617 -1.111 431 HZ2 TRP 73 HZ2 TRP 73 1.603 -12.385 -4.360 432 HZ3 TRP 73 HZ3 TRP 73 -0.105 -10.244 -1.103 433 HH2 TRP 73 HH TRP 73 -0.167 -12.086 -2.692 434 H PHE 74 H PHE 74 5.387 -4.809 -3.889 435 HA PHE 74 HA PHE 74 6.569 -3.441 -1.543 436 HB2 PHE 74 HB2 PHE 74 6.710 -2.358 -4.358 437 HB3 PHE 74 HB3 PHE 74 7.602 -1.814 -2.939 438 HD1 PHE 74 HD2 PHE 74 9.122 -3.726 -1.850 439 HD2 PHE 74 HD1 PHE 74 7.822 -3.612 -5.902 440 HE1 PHE 74 HE2 PHE 74 10.994 -5.193 -2.495 441 HE2 PHE 74 HE1 PHE 74 9.689 -5.072 -6.548 442 HZ PHE 74 HZ PHE 74 11.280 -5.862 -4.844 443 H TYR 75 H TYR 75 5.063 -2.340 -0.501 444 HA TYR 75 HA TYR 75 2.990 -0.949 -2.072 445 HB2 TYR 75 HB2 TYR 75 2.671 -2.204 0.658 446 HB3 TYR 75 HB3 TYR 75 1.425 -1.335 -0.219 447 HD1 TYR 75 HD1 TYR 75 1.425 -2.335 -2.857 448 HD2 TYR 75 HD2 TYR 75 2.208 -4.448 0.751 449 HE1 TYR 75 HE1 TYR 75 0.711 -4.423 -3.938 450 HE2 TYR 75 HE2 TYR 75 1.501 -6.550 -0.324 451 HH TYR 75 HH TYR 75 -0.051 -7.165 -2.279 452 H VAL 76 H VAL 76 1.937 0.839 -0.639 453 HA VAL 76 HA VAL 76 4.133 2.319 0.668 454 HB VAL 76 HB VAL 76 1.935 3.510 -1.049 455 HG11 VAL 76 HG11 VAL 76 3.188 5.578 -0.915 456 HG12 VAL 76 HG12 VAL 76 4.413 4.797 0.084 457 HG13 VAL 76 HG13 VAL 76 2.776 5.012 0.705 458 HG21 VAL 76 HG21 VAL 76 4.837 3.036 -1.710 459 HG22 VAL 76 HG22 VAL 76 3.705 3.958 -2.699 460 HG23 VAL 76 HG23 VAL 76 3.449 2.231 -2.444 461 H PHE 77 H PHE 77 3.432 3.894 2.274 462 HA PHE 77 HA PHE 77 1.117 3.008 3.774 463 HB2 PHE 77 HB2 PHE 77 3.572 4.521 4.338 464 HB3 PHE 77 HB3 PHE 77 2.145 5.122 5.177 465 HD1 PHE 77 HD2 PHE 77 2.351 1.593 4.327 466 HD2 PHE 77 HD1 PHE 77 3.126 4.511 7.323 467 HE1 PHE 77 HE2 PHE 77 2.547 -0.192 6.008 468 HE2 PHE 77 HE1 PHE 77 3.320 2.732 9.007 469 HZ PHE 77 HZ PHE 77 3.031 0.380 8.353 470 H ARG 78 H ARG 78 -0.315 4.723 4.756 471 HA ARG 78 HA ARG 78 -1.488 6.031 2.467 472 HB2 ARG 78 HB2 ARG 78 -2.952 4.655 3.750 473 HB3 ARG 78 HB1 ARG 78 -2.484 5.436 5.248 474 HG2 ARG 78 HG2 ARG 78 -3.618 7.397 4.685 475 HG3 ARG 78 HG1 ARG 78 -3.908 6.852 3.033 476 HD2 ARG 78 HD2 ARG 78 -5.003 5.513 5.511 477 HD3 ARG 78 HD1 ARG 78 -5.904 6.653 4.511 478 HE ARG 78 HE ARG 78 -4.813 4.300 3.170 479 HH11 ARG 78 HH11 ARG 78 -7.637 5.820 4.621 480 HH12 ARG 78 HH12 ARG 78 -8.761 4.777 3.798 481 HH21 ARG 78 HH21 ARG 78 -6.301 2.934 2.119 482 HH22 ARG 78 HH22 ARG 78 -8.005 3.147 2.376 483 H GLN 79 H GLN 79 -1.320 8.049 2.042 484 HA GLN 79 HA GLN 79 -0.812 10.220 2.073 485 HB2 GLN 79 HB2 GLN 79 -2.742 10.422 3.432 486 HB3 GLN 79 HB3 GLN 79 -1.838 9.970 4.861 487 HG2 GLN 79 HG2 GLN 79 -2.233 12.353 4.862 488 HG3 GLN 79 HG3 GLN 79 -0.513 12.037 4.646 489 HE21 GLN 79 HE21 GLN 79 -0.129 14.010 3.683 490 HE22 GLN 79 HE22 GLN 79 -0.670 14.388 2.087 491 H GLN 80 H GLN 80 1.331 9.856 1.708 492 HA GLN 80 HA GLN 80 3.100 10.304 3.992 493 HB2 GLN 80 HB2 GLN 80 4.830 9.545 2.147 494 HB3 GLN 80 HB3 GLN 80 3.910 8.382 3.082 495 HG2 GLN 80 HG2 GLN 80 3.987 7.793 0.720 496 HG3 GLN 80 HG3 GLN 80 2.349 8.087 1.292 497 HE21 GLN 80 HE21 GLN 80 4.949 9.296 -0.702 498 HE22 GLN 80 HE22 GLN 80 3.987 10.409 -1.606 499 HA PRO 81 HA PRO 81 4.466 14.284 2.473 500 HB2 PRO 81 HB2 PRO 81 7.201 13.142 2.570 501 HB3 PRO 81 HB3 PRO 81 6.593 14.646 3.264 502 HG2 PRO 81 HG2 PRO 81 7.055 12.544 4.817 503 HG3 PRO 81 HG3 PRO 81 5.637 13.574 5.089 504 HD2 PRO 81 HD2 PRO 81 5.801 10.863 3.850 505 HD3 PRO 81 HD3 PRO 81 4.537 11.561 4.881 506 H GLY 82 H GLY 82 6.720 11.917 1.252 507 HA2 GLY 82 HA3 GLY 82 7.440 11.420 -0.889 508 HA3 GLY 82 HA2 GLY 82 5.938 12.124 -1.477 509 H HIS 83 H HIS 83 6.922 13.210 -3.188 510 HA HIS 83 HA HIS 83 7.883 14.952 -4.261 511 HB2 HIS 83 HB2 HIS 83 7.799 16.282 -1.539 512 HB3 HIS 83 HB1 HIS 83 8.115 17.106 -3.061 513 HD1 HIS 83 HD1 HIS 83 5.496 16.587 -0.758 514 HD2 HIS 83 HD2 HIS 83 5.724 16.567 -4.915 515 HE1 HIS 83 HE1 HIS 83 3.144 16.939 -1.571 516 HE2 HIS 83 HE2 HIS 83 3.278 16.705 -4.074 517 H GLU 84 H GLU 84 9.593 15.912 -1.367 518 HA GLU 84 HA GLU 84 12.005 14.510 -2.198 519 HB2 GLU 84 HB2 GLU 84 11.734 17.484 -1.840 520 HB3 GLU 84 HB3 GLU 84 13.277 16.667 -1.659 521 HG2 GLU 84 HG2 GLU 84 13.133 15.849 -3.938 522 HG3 GLU 84 HG3 GLU 84 11.562 16.627 -4.125 523 H GLY 85 H GLY 85 13.402 14.043 -0.459 524 HA2 GLY 85 HA3 GLY 85 13.874 13.588 1.763 525 HA3 GLY 85 HA2 GLY 85 12.764 14.883 2.216 526 H VAL 86 H VAL 86 12.177 12.079 0.206 527 HA VAL 86 HA VAL 86 9.612 11.609 1.226 528 HB VAL 86 HB VAL 86 11.374 9.619 -0.170 529 HG11 VAL 86 HG11 VAL 86 8.381 9.813 0.004 530 HG12 VAL 86 HG12 VAL 86 9.404 8.638 0.833 531 HG13 VAL 86 HG13 VAL 86 9.287 8.618 -0.928 532 HG21 VAL 86 HG21 VAL 86 9.531 11.689 -1.345 533 HG22 VAL 86 HG22 VAL 86 10.331 10.410 -2.260 534 HG23 VAL 86 HG23 VAL 86 11.289 11.666 -1.472 535 H THR 87 H THR 87 8.824 10.188 2.685 536 HA THR 87 HA THR 87 10.762 8.594 4.194 537 HB THR 87 HB THR 87 10.160 10.677 5.440 538 HG1 THR 87 HG1 THR 87 9.301 8.200 6.574 539 HG21 THR 87 HG21 THR 87 7.416 9.423 5.449 540 HG22 THR 87 HG22 THR 87 7.875 10.938 4.678 541 HG23 THR 87 HG23 THR 87 7.900 10.801 6.438 542 H GLN 88 H GLN 88 8.334 8.352 2.163 543 HA GLN 88 HA GLN 88 6.306 6.829 2.865 544 HB2 GLN 88 HB2 GLN 88 8.282 6.606 0.662 545 HB3 GLN 88 HB3 GLN 88 7.076 5.356 0.837 546 HG2 GLN 88 HG2 GLN 88 5.331 7.098 0.764 547 HG3 GLN 88 HG3 GLN 88 6.595 8.275 0.417 548 HE21 GLN 88 HE21 GLN 88 4.305 7.378 -1.155 549 HE22 GLN 88 HE22 GLN 88 4.933 6.823 -2.673 550 H GLN 89 H GLN 89 6.265 5.423 4.522 551 HA GLN 89 HA GLN 89 8.289 3.401 4.818 552 HB2 GLN 89 HB2 GLN 89 5.710 3.978 6.258 553 HB3 GLN 89 HB3 GLN 89 6.635 2.513 6.569 554 HG2 GLN 89 HG2 GLN 89 8.555 3.825 7.226 555 HG3 GLN 89 HG3 GLN 89 7.694 5.317 6.857 556 HE21 GLN 89 HE21 GLN 89 6.109 6.045 8.255 557 HE22 GLN 89 HE22 GLN 89 5.892 5.379 9.842 558 H THR 90 H THR 90 8.378 1.870 3.369 559 HA THR 90 HA THR 90 6.007 1.138 1.878 560 HB THR 90 HB THR 90 7.683 -0.217 0.531 561 HG1 THR 90 HG1 THR 90 9.665 1.379 1.754 562 HG21 THR 90 HG21 THR 90 6.834 2.189 0.142 563 HG22 THR 90 HG22 THR 90 8.220 1.608 -0.779 564 HG23 THR 90 HG23 THR 90 8.463 2.671 0.614 565 H LEU 91 H LEU 91 5.112 -0.838 1.791 566 HA LEU 91 HA LEU 91 5.937 -2.763 3.830 567 HB2 LEU 91 HB2 LEU 91 3.484 -2.150 3.486 568 HB3 LEU 91 HB3 LEU 91 3.584 -3.010 1.960 569 HG LEU 91 HG LEU 91 4.417 -4.998 3.334 570 HD11 LEU 91 HD11 LEU 91 2.873 -4.160 5.621 571 HD12 LEU 91 HD12 LEU 91 4.306 -3.150 5.378 572 HD13 LEU 91 HD13 LEU 91 4.474 -4.902 5.545 573 HD21 LEU 91 HD21 LEU 91 2.167 -5.724 3.939 574 HD22 LEU 91 HD22 LEU 91 2.252 -5.051 2.300 575 HD23 LEU 91 HD23 LEU 91 1.566 -4.088 3.614 576 H THR 92 H THR 92 7.476 -4.129 3.203 577 HA THR 92 HA THR 92 7.430 -5.073 0.421 578 HB THR 92 HB THR 92 9.705 -5.222 2.409 579 HG1 THR 92 HG1 THR 92 9.012 -3.354 0.398 580 HG21 THR 92 HG21 THR 92 9.702 -6.976 0.663 581 HG22 THR 92 HG22 THR 92 11.056 -5.859 0.497 582 HG23 THR 92 HG23 THR 92 9.660 -5.719 -0.572 583 H LEU 93 H LEU 93 6.256 -6.860 0.338 584 HA LEU 93 HA LEU 93 6.123 -8.515 2.721 585 HB2 LEU 93 HB2 LEU 93 4.131 -7.717 1.139 586 HB3 LEU 93 HB3 LEU 93 4.550 -9.210 0.305 587 HG LEU 93 HG LEU 93 4.294 -10.391 2.470 588 HD11 LEU 93 HD11 LEU 93 2.787 -8.852 4.028 589 HD12 LEU 93 HD12 LEU 93 3.822 -7.613 3.332 590 HD13 LEU 93 HD13 LEU 93 4.532 -8.974 4.203 591 HD21 LEU 93 HD21 LEU 93 1.758 -8.967 2.026 592 HD22 LEU 93 HD22 LEU 93 2.077 -10.691 2.189 593 HD23 LEU 93 HD23 LEU 93 2.446 -9.853 0.673 594 H THR 94 H THR 94 7.225 -10.306 2.950 595 HA THR 94 HA THR 94 8.567 -11.397 0.603 596 HB THR 94 HB THR 94 9.344 -11.191 3.496 597 HG1 THR 94 HG1 THR 94 10.744 -10.570 1.082 598 HG21 THR 94 HG21 THR 94 9.700 -13.490 2.819 599 HG22 THR 94 HG22 THR 94 11.232 -12.650 3.069 600 HG23 THR 94 HG23 THR 94 10.642 -12.950 1.431 601 H PHE 95 H PHE 95 7.980 -13.310 -0.040 602 HA PHE 95 HA PHE 95 6.513 -15.091 1.788 603 HB2 PHE 95 HB2 PHE 95 6.397 -14.808 -1.216 604 HB3 PHE 95 HB3 PHE 95 5.645 -16.133 -0.343 605 HD1 PHE 95 HD2 PHE 95 3.751 -15.746 1.084 606 HD2 PHE 95 HD1 PHE 95 5.447 -12.593 -1.188 607 HE1 PHE 95 HE2 PHE 95 1.722 -14.425 1.439 608 HE2 PHE 95 HE1 PHE 95 3.419 -11.249 -0.832 609 HZ PHE 95 HZ PHE 95 1.555 -12.179 0.486 610 H ASN 96 H ASN 96 7.096 -17.216 1.932 611 HA ASN 96 HA ASN 96 9.795 -17.875 1.225 612 HB2 ASN 96 HB2 ASN 96 9.280 -20.090 2.252 613 HB3 ASN 96 HB3 ASN 96 8.919 -18.731 3.303 614 HD21 ASN 96 HD21 ASN 96 7.474 -19.841 4.548 615 HD22 ASN 96 HD22 ASN 96 5.918 -20.320 3.967 616 H SER 97 H SER 97 9.845 -20.455 0.432 617 HA SER 97 HA SER 97 9.651 -20.286 -2.318 618 HB2 SER 97 HB2 SER 97 9.835 -22.848 -2.184 619 HB3 SER 97 HB3 SER 97 11.119 -21.896 -1.434 620 HG SER 97 HG SER 97 10.649 -22.905 0.342 621 H SER 98 H SER 98 7.191 -21.303 -0.032 622 HA SER 98 HA SER 98 5.631 -22.578 -2.127 623 HB2 SER 98 HB2 SER 98 5.892 -23.554 0.190 624 HB3 SER 98 HB3 SER 98 4.899 -22.226 0.789 625 HG SER 98 HG SER 98 4.018 -23.897 -1.321 626 H GLY 99 H GLY 99 6.056 -19.474 -1.122 627 HA2 GLY 99 HA3 GLY 99 4.861 -17.573 -1.708 628 HA3 GLY 99 HA2 GLY 99 3.570 -18.605 -2.311 629 H VAL 100 H VAL 100 4.941 -18.851 0.882 630 HA VAL 100 HA VAL 100 2.365 -18.002 2.032 631 HB VAL 100 HB VAL 100 4.503 -19.586 3.447 632 HG11 VAL 100 HG11 VAL 100 1.544 -19.291 3.935 633 HG12 VAL 100 HG12 VAL 100 2.834 -18.535 4.870 634 HG13 VAL 100 HG13 VAL 100 2.648 -20.289 4.881 635 HG21 VAL 100 HG21 VAL 100 2.238 -20.625 1.760 636 HG22 VAL 100 HG22 VAL 100 3.139 -21.608 2.917 637 HG23 VAL 100 HG23 VAL 100 3.968 -20.901 1.525 638 H LEU 101 H LEU 101 2.350 -16.347 3.546 639 HA LEU 101 HA LEU 101 4.424 -14.484 3.539 640 HB2 LEU 101 HB2 LEU 101 1.866 -14.827 4.888 641 HB3 LEU 101 HB3 LEU 101 3.044 -13.951 5.847 642 HG LEU 101 HG LEU 101 2.063 -13.239 3.103 643 HD11 LEU 101 HD11 LEU 101 1.857 -11.818 5.740 644 HD12 LEU 101 HD12 LEU 101 0.549 -12.704 4.955 645 HD13 LEU 101 HD13 LEU 101 1.209 -11.252 4.200 646 HD21 LEU 101 HD21 LEU 101 4.116 -11.837 4.772 647 HD22 LEU 101 HD22 LEU 101 3.526 -11.338 3.190 648 HD23 LEU 101 HD23 LEU 101 4.475 -12.821 3.357 649 H THR 102 H THR 102 6.233 -14.394 4.487 650 HA THR 102 HA THR 102 6.679 -15.929 6.954 651 HB THR 102 HB THR 102 9.019 -16.029 6.375 652 HG1 THR 102 HG1 THR 102 9.883 -14.631 5.013 653 HG21 THR 102 HG21 THR 102 7.208 -17.444 5.123 654 HG22 THR 102 HG22 THR 102 8.892 -17.488 4.594 655 HG23 THR 102 HG23 THR 102 7.721 -16.483 3.736 656 H ASN 103 H ASN 103 7.382 -12.893 5.292 657 HA ASN 103 HA ASN 103 7.551 -11.600 7.940 658 HB2 ASN 103 HB2 ASN 103 9.471 -11.047 5.674 659 HB3 ASN 103 HB3 ASN 103 9.387 -10.142 7.167 660 HD21 ASN 103 HD21 ASN 103 11.363 -10.509 7.937 661 HD22 ASN 103 HD22 ASN 103 11.994 -12.067 8.344 662 H ILE 104 H ILE 104 6.986 -9.451 8.012 663 HA ILE 104 HA ILE 104 5.805 -8.274 5.570 664 HB ILE 104 HB ILE 104 5.151 -7.244 8.314 665 HG12 ILE 104 HG12 ILE 104 4.714 -9.713 8.373 666 HG13 ILE 104 HG13 ILE 104 3.288 -8.719 8.625 667 HG21 ILE 104 HG21 ILE 104 3.712 -7.256 5.660 668 HG22 ILE 104 HG22 ILE 104 4.405 -5.887 6.527 669 HG23 ILE 104 HG23 ILE 104 2.980 -6.703 7.167 670 HD11 ILE 104 HD11 ILE 104 2.786 -9.085 6.172 671 HD12 ILE 104 HD12 ILE 104 2.616 -10.478 7.242 672 HD13 ILE 104 HD13 ILE 104 4.043 -10.324 6.212 673 H ASP 105 H ASP 105 7.644 -7.165 4.846 674 HA ASP 105 HA ASP 105 9.405 -5.980 6.844 675 HB2 ASP 105 HB2 ASP 105 10.147 -7.380 4.824 676 HB3 ASP 105 HB3 ASP 105 9.841 -5.943 3.869 677 H ASN 106 H ASN 106 8.553 -4.095 7.549 678 HA ASN 106 HA ASN 106 7.877 -2.106 5.504 679 HB2 ASN 106 HB2 ASN 106 5.868 -2.739 6.693 680 HB3 ASN 106 HB3 ASN 106 6.655 -2.457 8.243 681 HD21 ASN 106 HD21 ASN 106 5.448 -0.927 5.335 682 HD22 ASN 106 HD22 ASN 106 5.251 0.646 6.019 683 H LYS 107 H LYS 107 9.206 -0.528 5.400 684 HA LYS 107 HA LYS 107 10.225 0.787 7.754 685 HB2 LYS 107 HB2 LYS 107 12.482 0.339 7.522 686 HB3 LYS 107 HB1 LYS 107 11.788 -1.191 7.042 687 HG2 LYS 107 HG2 LYS 107 12.211 0.706 4.866 688 HG3 LYS 107 HG1 LYS 107 13.676 0.128 5.651 689 HD2 LYS 107 HD2 LYS 107 13.346 -1.392 3.920 690 HD3 LYS 107 HD1 LYS 107 12.670 -2.218 5.324 691 HE2 LYS 107 HE2 LYS 107 10.424 -1.550 4.648 692 HE3 LYS 107 HE1 LYS 107 11.088 -0.682 3.263 693 HZ1 LYS 107 HZ1 LYS 107 11.927 -2.765 2.389 694 HZ2 LYS 107 HZ2 LYS 107 10.255 -2.876 2.643 695 HZ3 LYS 107 HZ3 LYS 107 11.329 -3.606 3.738 696 HA PRO 108 HA PRO 108 10.108 4.331 5.173 697 HB2 PRO 108 HB2 PRO 108 12.563 5.548 5.306 698 HB3 PRO 108 HB3 PRO 108 11.337 5.644 6.570 699 HG2 PRO 108 HG2 PRO 108 13.794 3.981 6.431 700 HG3 PRO 108 HG3 PRO 108 13.013 4.726 7.835 701 HD2 PRO 108 HD2 PRO 108 12.828 2.069 7.195 702 HD3 PRO 108 HD3 PRO 108 11.615 2.936 8.141 703 H ALA 109 H ALA 109 10.913 5.433 3.210 704 HA ALA 109 HA ALA 109 11.535 3.496 1.230 705 HB1 ALA 109 HB1 ALA 109 11.272 6.477 0.980 706 HB2 ALA 109 HB2 ALA 109 9.980 5.287 0.812 707 HB3 ALA 109 HB3 ALA 109 11.304 5.317 -0.352 708 H LEU 110 H LEU 110 13.056 4.272 -0.569 709 HA LEU 110 HA LEU 110 15.634 3.687 0.170 710 HB2 LEU 110 HB2 LEU 110 14.903 5.393 -2.201 711 HB3 LEU 110 HB3 LEU 110 16.254 4.283 -2.054 712 HG LEU 110 HG LEU 110 13.352 3.446 -2.080 713 HD11 LEU 110 HD11 LEU 110 13.995 2.488 -4.324 714 HD12 LEU 110 HD12 LEU 110 15.421 3.528 -4.262 715 HD13 LEU 110 HD13 LEU 110 13.805 4.240 -4.254 716 HD21 LEU 110 HD21 LEU 110 14.702 1.856 -0.893 717 HD22 LEU 110 HD22 LEU 110 15.920 1.871 -2.169 718 HD23 LEU 110 HD23 LEU 110 14.319 1.201 -2.487 719 H SER 111 H SER 111 14.473 6.937 -0.771 720 HA SER 111 HA SER 111 16.795 8.120 0.473 721 HB2 SER 111 HB2 SER 111 15.652 10.269 -0.402 722 HB3 SER 111 HB3 SER 111 16.322 9.138 -1.575 723 HG SER 111 HG SER 111 14.389 9.249 -2.399 724 H GLY 112 H GLY 112 15.003 6.797 2.219 725 HA2 GLY 112 HA3 GLY 112 13.329 8.777 3.480 726 HA3 GLY 112 HA2 GLY 112 13.564 7.113 3.997 727 H ASN 113 H ASN 113 13.638 8.086 6.121 728 HA ASN 113 HA ASN 113 16.326 8.986 6.804 729 HB2 ASN 113 HB2 ASN 113 15.420 10.737 8.307 730 HB3 ASN 113 HB3 ASN 113 15.064 11.050 6.615 731 HD21 ASN 113 HD21 ASN 113 12.942 10.778 5.868 732 HD22 ASN 113 HD22 ASN 113 11.597 10.801 6.952 Start of MODEL 7 1 H1 GLY 17 H1 GLY 17 -31.411 22.507 -1.592 2 H2 GLY 17 H2 GLY 17 -30.553 21.305 -0.757 3 H3 GLY 17 H3 GLY 17 -31.723 20.871 -1.904 4 HA2 GLY 17 HA2 GLY 17 -29.145 22.232 -2.445 5 HA3 GLY 17 HA3 GLY 17 -29.552 20.569 -2.845 6 H SER 18 H SER 18 -29.580 23.786 -3.875 7 HA SER 18 HA SER 18 -31.636 23.513 -5.866 8 HB2 SER 18 HB2 SER 18 -30.603 25.717 -6.682 9 HB3 SER 18 HB3 SER 18 -31.301 25.712 -5.062 10 HG SER 18 HG SER 18 -29.275 25.619 -4.179 11 H HIS 19 H HIS 19 -28.116 23.997 -6.088 12 HA HIS 19 HA HIS 19 -28.149 22.751 -8.733 13 HB2 HIS 19 HB2 HIS 19 -26.045 24.321 -7.246 14 HB3 HIS 19 HB1 HIS 19 -25.697 23.459 -8.741 15 HD1 HIS 19 HD1 HIS 19 -26.632 26.704 -7.579 16 HD2 HIS 19 HD2 HIS 19 -27.604 24.375 -10.890 17 HE1 HIS 19 HE1 HIS 19 -27.531 28.305 -9.299 18 HE2 HIS 19 HE2 HIS 19 -28.039 26.887 -11.323 19 H MET 20 H MET 20 -27.228 20.827 -9.167 20 HA MET 20 HA MET 20 -26.396 19.241 -6.844 21 HB2 MET 20 HB2 MET 20 -27.337 18.468 -9.602 22 HB3 MET 20 HB3 MET 20 -26.667 17.308 -8.467 23 HG2 MET 20 HG2 MET 20 -29.027 19.028 -7.792 24 HG3 MET 20 HG3 MET 20 -29.191 17.480 -8.616 25 HE1 MET 20 HE1 MET 20 -27.813 18.088 -4.250 26 HE2 MET 20 HE2 MET 20 -28.557 19.327 -5.259 27 HE3 MET 20 HE3 MET 20 -26.916 18.781 -5.599 28 H SER 21 H SER 21 -24.744 17.493 -7.439 29 HA SER 21 HA SER 21 -22.580 16.990 -7.868 30 HB2 SER 21 HB2 SER 21 -23.028 18.645 -10.366 31 HB3 SER 21 HB3 SER 21 -21.748 17.455 -10.119 32 HG SER 21 HG SER 21 -23.291 16.323 -11.149 33 H THR 22 H THR 22 -22.250 18.467 -5.971 34 HA THR 22 HA THR 22 -20.554 20.751 -6.747 35 HB THR 22 HB THR 22 -22.410 21.279 -5.186 36 HG1 THR 22 HG1 THR 22 -19.712 21.533 -4.342 37 HG21 THR 22 HG21 THR 22 -22.325 20.490 -2.873 38 HG22 THR 22 HG22 THR 22 -20.945 19.466 -3.264 39 HG23 THR 22 HG23 THR 22 -22.517 19.139 -3.991 40 H LEU 23 H LEU 23 -20.519 17.567 -5.684 41 HA LEU 23 HA LEU 23 -17.663 17.798 -4.977 42 HB2 LEU 23 HB2 LEU 23 -19.629 15.692 -4.045 43 HB3 LEU 23 HB3 LEU 23 -17.925 15.755 -3.641 44 HG LEU 23 HG LEU 23 -19.977 17.811 -2.806 45 HD11 LEU 23 HD11 LEU 23 -18.618 15.644 -1.212 46 HD12 LEU 23 HD12 LEU 23 -20.309 15.651 -1.714 47 HD13 LEU 23 HD13 LEU 23 -19.721 16.868 -0.581 48 HD21 LEU 23 HD21 LEU 23 -17.077 17.474 -2.053 49 HD22 LEU 23 HD22 LEU 23 -18.190 18.645 -1.351 50 HD23 LEU 23 HD23 LEU 23 -17.748 18.758 -3.054 51 H GLU 24 H GLU 24 -19.496 17.240 -7.431 52 HA GLU 24 HA GLU 24 -19.799 15.807 -9.155 53 HB2 GLU 24 HB2 GLU 24 -16.825 15.628 -8.732 54 HB3 GLU 24 HB3 GLU 24 -17.634 14.861 -10.091 55 HG2 GLU 24 HG2 GLU 24 -16.804 16.917 -10.877 56 HG3 GLU 24 HG3 GLU 24 -18.543 17.127 -10.689 57 H ARG 25 H ARG 25 -17.178 13.748 -8.137 58 HA ARG 25 HA ARG 25 -19.072 11.818 -7.038 59 HB2 ARG 25 HB2 ARG 25 -18.075 9.993 -8.374 60 HB3 ARG 25 HB1 ARG 25 -18.910 11.185 -9.359 61 HG2 ARG 25 HG2 ARG 25 -16.767 12.194 -9.956 62 HG3 ARG 25 HG1 ARG 25 -15.930 10.994 -8.967 63 HD2 ARG 25 HD2 ARG 25 -16.778 9.207 -10.362 64 HD3 ARG 25 HD1 ARG 25 -17.716 10.359 -11.311 65 HE ARG 25 HE ARG 25 -14.810 10.705 -11.216 66 HH11 ARG 25 HH11 ARG 25 -17.655 9.648 -12.972 67 HH12 ARG 25 HH12 ARG 25 -16.877 9.715 -14.527 68 HH21 ARG 25 HH21 ARG 25 -13.767 10.733 -13.251 69 HH22 ARG 25 HH22 ARG 25 -14.650 10.264 -14.673 70 H VAL 26 H VAL 26 -16.813 13.590 -6.089 71 HA VAL 26 HA VAL 26 -14.911 11.611 -5.092 72 HB VAL 26 HB VAL 26 -15.022 14.561 -4.429 73 HG11 VAL 26 HG11 VAL 26 -12.773 12.557 -4.253 74 HG12 VAL 26 HG12 VAL 26 -13.701 13.183 -2.893 75 HG13 VAL 26 HG13 VAL 26 -12.675 14.266 -3.832 76 HG21 VAL 26 HG21 VAL 26 -13.285 14.856 -6.156 77 HG22 VAL 26 HG22 VAL 26 -14.822 14.320 -6.836 78 HG23 VAL 26 HG23 VAL 26 -13.498 13.170 -6.634 79 H VAL 27 H VAL 27 -16.366 10.385 -3.874 80 HA VAL 27 HA VAL 27 -17.973 11.663 -1.851 81 HB VAL 27 HB VAL 27 -18.692 9.724 -3.361 82 HG11 VAL 27 HG11 VAL 27 -16.756 8.302 -3.041 83 HG12 VAL 27 HG12 VAL 27 -18.231 7.476 -2.542 84 HG13 VAL 27 HG13 VAL 27 -17.141 8.141 -1.326 85 HG21 VAL 27 HG21 VAL 27 -19.886 10.586 -1.293 86 HG22 VAL 27 HG22 VAL 27 -19.203 9.193 -0.450 87 HG23 VAL 27 HG23 VAL 27 -20.276 8.953 -1.825 88 H TYR 28 H TYR 28 -18.026 10.245 0.321 89 HA TYR 28 HA TYR 28 -15.886 11.025 1.818 90 HB2 TYR 28 HB2 TYR 28 -18.140 10.269 2.633 91 HB3 TYR 28 HB3 TYR 28 -17.580 8.612 2.458 92 HD1 TYR 28 HD2 TYR 28 -17.140 11.751 4.318 93 HD2 TYR 28 HD1 TYR 28 -16.076 7.642 4.060 94 HE1 TYR 28 HE2 TYR 28 -16.160 11.872 6.570 95 HE2 TYR 28 HE1 TYR 28 -15.089 7.749 6.311 96 HH TYR 28 HH TYR 28 -14.075 9.614 7.783 97 H ARG 29 H ARG 29 -13.965 10.323 2.305 98 HA ARG 29 HA ARG 29 -13.176 7.586 1.640 99 HB2 ARG 29 HB2 ARG 29 -10.886 8.621 1.032 100 HB3 ARG 29 HB1 ARG 29 -12.183 8.719 -0.146 101 HG2 ARG 29 HG2 ARG 29 -11.176 10.822 -0.183 102 HG3 ARG 29 HG1 ARG 29 -12.635 11.047 0.782 103 HD2 ARG 29 HD2 ARG 29 -11.257 10.777 2.826 104 HD3 ARG 29 HD1 ARG 29 -9.821 10.706 1.805 105 HE ARG 29 HE ARG 29 -11.065 13.036 1.083 106 HH11 ARG 29 HH11 ARG 29 -9.831 11.680 4.068 107 HH12 ARG 29 HH12 ARG 29 -9.515 13.235 4.787 108 HH21 ARG 29 HH21 ARG 29 -10.642 15.069 2.009 109 HH22 ARG 29 HH22 ARG 29 -9.962 15.163 3.606 110 HA PRO 30 HA PRO 30 -11.157 7.082 5.571 111 HB2 PRO 30 HB2 PRO 30 -8.512 7.267 4.208 112 HB3 PRO 30 HB3 PRO 30 -9.114 6.066 5.348 113 HG2 PRO 30 HG2 PRO 30 -8.982 5.535 2.747 114 HG3 PRO 30 HG3 PRO 30 -10.304 4.929 3.755 115 HD2 PRO 30 HD2 PRO 30 -10.316 7.085 1.742 116 HD3 PRO 30 HD3 PRO 30 -11.620 6.013 2.266 117 H ASP 31 H ASP 31 -9.398 8.037 7.045 118 HA ASP 31 HA ASP 31 -9.690 10.834 7.160 119 HB2 ASP 31 HB2 ASP 31 -8.166 10.753 9.057 120 HB3 ASP 31 HB3 ASP 31 -9.319 9.431 9.164 121 H ILE 32 H ILE 32 -7.511 8.799 5.638 122 HA ILE 32 HA ILE 32 -5.397 10.650 5.195 123 HB ILE 32 HB ILE 32 -6.108 8.085 3.771 124 HG12 ILE 32 HG12 ILE 32 -5.662 7.847 6.168 125 HG13 ILE 32 HG13 ILE 32 -4.385 7.116 5.205 126 HG21 ILE 32 HG21 ILE 32 -3.610 8.186 3.233 127 HG22 ILE 32 HG22 ILE 32 -3.757 9.917 3.544 128 HG23 ILE 32 HG23 ILE 32 -4.715 9.154 2.266 129 HD11 ILE 32 HD11 ILE 32 -3.539 8.376 7.127 130 HD12 ILE 32 HD12 ILE 32 -4.249 9.843 6.462 131 HD13 ILE 32 HD13 ILE 32 -2.957 9.012 5.590 132 H ASN 33 H ASN 33 -4.975 11.882 3.412 133 HA ASN 33 HA ASN 33 -7.269 12.616 1.796 134 HB2 ASN 33 HB2 ASN 33 -4.495 13.777 1.577 135 HB3 ASN 33 HB3 ASN 33 -6.029 14.535 1.153 136 HD21 ASN 33 HD21 ASN 33 -3.777 13.839 3.630 137 HD22 ASN 33 HD22 ASN 33 -4.560 14.706 4.904 138 H GLN 34 H GLN 34 -4.638 10.545 1.620 139 HA GLN 34 HA GLN 34 -4.760 10.376 -1.298 140 HB2 GLN 34 HB2 GLN 34 -3.026 8.578 0.334 141 HB3 GLN 34 HB3 GLN 34 -2.761 9.209 -1.280 142 HG2 GLN 34 HG2 GLN 34 -2.447 11.471 -0.150 143 HG3 GLN 34 HG3 GLN 34 -2.338 10.546 1.348 144 HE21 GLN 34 HE21 GLN 34 -0.597 9.151 1.665 145 HE22 GLN 34 HE22 GLN 34 0.845 9.280 0.733 146 H GLY 35 H GLY 35 -4.240 7.735 -1.658 147 HA2 GLY 35 HA3 GLY 35 -5.338 5.734 -0.318 148 HA3 GLY 35 HA2 GLY 35 -6.788 6.555 -0.885 149 H ASN 36 H ASN 36 -7.368 4.729 -2.114 150 HA ASN 36 HA ASN 36 -7.721 3.750 -4.134 151 HB2 ASN 36 HB2 ASN 36 -7.262 5.865 -5.235 152 HB3 ASN 36 HB3 ASN 36 -5.530 5.590 -5.120 153 HD21 ASN 36 HD21 ASN 36 -5.287 5.793 -7.315 154 HD22 ASN 36 HD22 ASN 36 -5.790 4.553 -8.408 155 H TYR 37 H TYR 37 -4.214 4.214 -3.765 156 HA TYR 37 HA TYR 37 -3.737 1.461 -4.537 157 HB2 TYR 37 HB2 TYR 37 -1.291 2.226 -4.023 158 HB3 TYR 37 HB3 TYR 37 -2.101 2.851 -5.451 159 HD1 TYR 37 HD2 TYR 37 -1.508 3.714 -1.865 160 HD2 TYR 37 HD1 TYR 37 -2.124 5.131 -5.828 161 HE1 TYR 37 HE2 TYR 37 -1.108 6.015 -1.095 162 HE2 TYR 37 HE1 TYR 37 -1.727 7.435 -5.070 163 HH TYR 37 HH TYR 37 -0.337 8.199 -2.142 164 H LEU 38 H LEU 38 -1.518 0.943 -2.827 165 HA LEU 38 HA LEU 38 -2.910 -0.060 -0.563 166 HB2 LEU 38 HB2 LEU 38 -0.339 -0.407 -1.722 167 HB3 LEU 38 HB3 LEU 38 -0.148 -0.086 -0.025 168 HG LEU 38 HG LEU 38 -0.235 -2.475 -0.495 169 HD11 LEU 38 HD11 LEU 38 -2.438 -1.364 1.071 170 HD12 LEU 38 HD12 LEU 38 -0.864 -1.848 1.646 171 HD13 LEU 38 HD13 LEU 38 -2.030 -3.065 1.099 172 HD21 LEU 38 HD21 LEU 38 -2.302 -3.523 -1.235 173 HD22 LEU 38 HD22 LEU 38 -1.658 -2.433 -2.462 174 HD23 LEU 38 HD23 LEU 38 -3.019 -1.928 -1.460 175 H THR 39 H THR 39 -2.864 0.544 1.451 176 HA THR 39 HA THR 39 -1.275 2.860 2.243 177 HB THR 39 HB THR 39 -3.035 3.736 3.638 178 HG1 THR 39 HG1 THR 39 -4.666 1.613 2.611 179 HG21 THR 39 HG21 THR 39 -2.973 3.896 0.946 180 HG22 THR 39 HG22 THR 39 -4.030 4.854 1.978 181 HG23 THR 39 HG23 THR 39 -4.638 3.382 1.214 182 H ALA 40 H ALA 40 -1.405 2.999 4.781 183 HA ALA 40 HA ALA 40 -0.342 0.557 5.810 184 HB1 ALA 40 HB1 ALA 40 -1.207 3.033 7.298 185 HB2 ALA 40 HB2 ALA 40 0.401 2.741 6.626 186 HB3 ALA 40 HB3 ALA 40 -0.204 1.727 7.934 187 H ASN 41 H ASN 41 -3.422 2.106 5.776 188 HA ASN 41 HA ASN 41 -4.789 0.714 7.778 189 HB2 ASN 41 HB2 ASN 41 -5.915 1.589 5.108 190 HB3 ASN 41 HB3 ASN 41 -6.801 1.347 6.590 191 HD21 ASN 41 HD21 ASN 41 -4.955 3.436 4.724 192 HD22 ASN 41 HD22 ASN 41 -5.022 4.807 5.772 193 H ASP 42 H ASP 42 -4.255 0.032 4.392 194 HA ASP 42 HA ASP 42 -5.705 -2.411 4.346 195 HB2 ASP 42 HB2 ASP 42 -3.546 -1.441 2.469 196 HB3 ASP 42 HB3 ASP 42 -4.651 -2.774 2.158 197 H VAL 43 H VAL 43 -2.355 -1.566 4.983 198 HA VAL 43 HA VAL 43 -1.283 -4.163 4.921 199 HB VAL 43 HB VAL 43 -0.413 -1.715 6.460 200 HG11 VAL 43 HG11 VAL 43 1.065 -4.314 6.112 201 HG12 VAL 43 HG12 VAL 43 0.339 -3.756 7.622 202 HG13 VAL 43 HG13 VAL 43 1.688 -2.864 6.906 203 HG21 VAL 43 HG21 VAL 43 1.013 -3.030 4.213 204 HG22 VAL 43 HG22 VAL 43 1.098 -1.352 4.746 205 HG23 VAL 43 HG23 VAL 43 -0.328 -1.935 3.882 206 H SER 44 H SER 44 -2.945 -2.383 7.482 207 HA SER 44 HA SER 44 -2.538 -4.326 9.493 208 HB2 SER 44 HB2 SER 44 -4.135 -3.164 10.789 209 HB3 SER 44 HB3 SER 44 -3.287 -1.957 9.836 210 HG SER 44 HG SER 44 -5.077 -2.019 8.359 211 H LYS 45 H LYS 45 -4.478 -4.288 6.711 212 HA LYS 45 HA LYS 45 -6.489 -6.133 7.605 213 HB2 LYS 45 HB2 LYS 45 -5.694 -5.268 4.840 214 HB3 LYS 45 HB1 LYS 45 -7.076 -6.285 5.211 215 HG2 LYS 45 HG2 LYS 45 -8.134 -4.510 6.421 216 HG3 LYS 45 HG1 LYS 45 -6.701 -3.490 6.256 217 HD2 LYS 45 HD2 LYS 45 -8.430 -2.870 4.633 218 HD3 LYS 45 HD1 LYS 45 -6.984 -3.492 3.829 219 HE2 LYS 45 HE2 LYS 45 -8.175 -5.758 3.895 220 HE3 LYS 45 HE1 LYS 45 -9.637 -4.826 4.224 221 HZ1 LYS 45 HZ1 LYS 45 -9.507 -5.162 1.884 222 HZ2 LYS 45 HZ2 LYS 45 -7.904 -4.635 1.822 223 HZ3 LYS 45 HZ3 LYS 45 -9.143 -3.529 2.172 224 H ILE 46 H ILE 46 -3.248 -6.413 6.406 225 HA ILE 46 HA ILE 46 -3.693 -9.255 5.977 226 HB ILE 46 HB ILE 46 -1.482 -9.373 4.993 227 HG12 ILE 46 HG12 ILE 46 -1.403 -6.356 5.086 228 HG13 ILE 46 HG13 ILE 46 -0.499 -7.393 6.186 229 HG21 ILE 46 HG21 ILE 46 -2.092 -8.400 2.916 230 HG22 ILE 46 HG22 ILE 46 -3.181 -7.265 3.717 231 HG23 ILE 46 HG23 ILE 46 -3.540 -8.994 3.731 232 HD11 ILE 46 HD11 ILE 46 -0.220 -7.811 3.249 233 HD12 ILE 46 HD12 ILE 46 0.938 -8.109 4.556 234 HD13 ILE 46 HD13 ILE 46 0.623 -6.457 4.025 235 H ARG 47 H ARG 47 -1.767 -10.586 6.538 236 HA ARG 47 HA ARG 47 -0.440 -10.040 8.997 237 HB2 ARG 47 HB2 ARG 47 -1.711 -11.780 10.319 238 HB3 ARG 47 HB1 ARG 47 -2.602 -10.295 10.016 239 HG2 ARG 47 HG2 ARG 47 -2.958 -12.507 8.079 240 HG3 ARG 47 HG1 ARG 47 -3.661 -12.714 9.682 241 HD2 ARG 47 HD2 ARG 47 -4.143 -10.258 7.988 242 HD3 ARG 47 HD1 ARG 47 -5.161 -11.699 7.911 243 HE ARG 47 HE ARG 47 -5.730 -11.355 10.250 244 HH11 ARG 47 HH11 ARG 47 -4.191 -8.649 8.649 245 HH12 ARG 47 HH12 ARG 47 -4.914 -7.456 9.678 246 HH21 ARG 47 HH21 ARG 47 -6.663 -9.786 11.628 247 HH22 ARG 47 HH22 ARG 47 -6.313 -8.105 11.370 248 H VAL 48 H VAL 48 0.939 -11.713 9.593 249 HA VAL 48 HA VAL 48 1.872 -13.232 7.380 250 HB VAL 48 HB VAL 48 2.852 -13.841 10.093 251 HG11 VAL 48 HG11 VAL 48 4.185 -13.123 7.488 252 HG12 VAL 48 HG12 VAL 48 3.905 -14.760 8.093 253 HG13 VAL 48 HG13 VAL 48 5.013 -13.683 8.945 254 HG21 VAL 48 HG21 VAL 48 3.120 -11.143 8.811 255 HG22 VAL 48 HG22 VAL 48 4.181 -11.716 10.101 256 HG23 VAL 48 HG23 VAL 48 2.450 -11.512 10.400 257 H GLY 49 H GLY 49 1.858 -15.448 7.110 258 HA2 GLY 49 HA3 GLY 49 1.364 -17.655 8.123 259 HA3 GLY 49 HA2 GLY 49 -0.050 -16.889 8.836 260 H MET 50 H MET 50 -0.712 -15.340 6.472 261 HA MET 50 HA MET 50 -2.003 -17.476 5.020 262 HB2 MET 50 HB2 MET 50 -3.224 -15.680 3.813 263 HB3 MET 50 HB3 MET 50 -3.500 -15.722 5.542 264 HG2 MET 50 HG2 MET 50 -1.954 -13.815 5.780 265 HG3 MET 50 HG3 MET 50 -1.759 -13.806 4.028 266 HE1 MET 50 HE1 MET 50 -3.717 -10.828 3.747 267 HE2 MET 50 HE2 MET 50 -2.163 -11.469 4.303 268 HE3 MET 50 HE3 MET 50 -3.331 -10.855 5.472 269 H THR 51 H THR 51 -2.311 -16.835 2.545 270 HA THR 51 HA THR 51 0.358 -17.381 1.569 271 HB THR 51 HB THR 51 -0.713 -18.240 -0.407 272 HG1 THR 51 HG1 THR 51 -3.262 -18.138 0.056 273 HG21 THR 51 HG21 THR 51 -2.078 -18.974 2.146 274 HG22 THR 51 HG22 THR 51 -0.679 -19.766 1.412 275 HG23 THR 51 HG23 THR 51 -2.269 -19.881 0.649 276 H GLN 52 H GLN 52 0.445 -16.721 -0.937 277 HA GLN 52 HA GLN 52 0.659 -13.927 -1.138 278 HB2 GLN 52 HB2 GLN 52 0.524 -16.091 -3.240 279 HB3 GLN 52 HB3 GLN 52 0.886 -14.410 -3.575 280 HG2 GLN 52 HG2 GLN 52 2.931 -14.494 -2.456 281 HG3 GLN 52 HG3 GLN 52 2.506 -15.990 -1.624 282 HE21 GLN 52 HE21 GLN 52 1.425 -17.270 -3.970 283 HE22 GLN 52 HE22 GLN 52 2.776 -17.686 -4.971 284 H GLN 53 H GLN 53 -1.807 -16.244 -2.266 285 HA GLN 53 HA GLN 53 -3.285 -14.311 -3.734 286 HB2 GLN 53 HB2 GLN 53 -5.113 -15.959 -3.712 287 HB3 GLN 53 HB3 GLN 53 -3.592 -16.665 -4.198 288 HG2 GLN 53 HG2 GLN 53 -3.382 -17.830 -2.220 289 HG3 GLN 53 HG3 GLN 53 -4.569 -16.838 -1.385 290 HE21 GLN 53 HE21 GLN 53 -6.738 -17.244 -1.673 291 HE22 GLN 53 HE22 GLN 53 -7.321 -18.702 -2.422 292 H GLN 54 H GLN 54 -3.421 -15.491 -0.452 293 HA GLN 54 HA GLN 54 -5.764 -14.255 0.417 294 HB2 GLN 54 HB2 GLN 54 -3.205 -14.634 1.965 295 HB3 GLN 54 HB3 GLN 54 -4.788 -14.340 2.659 296 HG2 GLN 54 HG2 GLN 54 -4.650 -16.659 0.887 297 HG3 GLN 54 HG3 GLN 54 -3.651 -16.772 2.335 298 HE21 GLN 54 HE21 GLN 54 -4.771 -18.243 3.409 299 HE22 GLN 54 HE22 GLN 54 -6.399 -18.014 3.978 300 H VAL 55 H VAL 55 -2.418 -13.058 0.423 301 HA VAL 55 HA VAL 55 -3.069 -10.567 1.601 302 HB VAL 55 HB VAL 55 -0.634 -11.508 0.109 303 HG11 VAL 55 HG11 VAL 55 -0.948 -8.957 1.679 304 HG12 VAL 55 HG12 VAL 55 -0.962 -9.040 -0.085 305 HG13 VAL 55 HG13 VAL 55 0.492 -9.503 0.812 306 HG21 VAL 55 HG21 VAL 55 -0.865 -10.831 2.999 307 HG22 VAL 55 HG22 VAL 55 0.314 -11.872 2.191 308 HG23 VAL 55 HG23 VAL 55 -1.358 -12.425 2.401 309 H ALA 56 H ALA 56 -2.454 -11.575 -1.759 310 HA ALA 56 HA ALA 56 -2.642 -8.977 -2.840 311 HB1 ALA 56 HB1 ALA 56 -3.307 -11.543 -4.270 312 HB2 ALA 56 HB2 ALA 56 -1.673 -10.926 -4.030 313 HB3 ALA 56 HB3 ALA 56 -2.830 -10.008 -4.988 314 H TYR 57 H TYR 57 -5.038 -11.263 -1.824 315 HA TYR 57 HA TYR 57 -7.198 -9.879 -3.126 316 HB2 TYR 57 HB2 TYR 57 -6.935 -12.229 -1.336 317 HB3 TYR 57 HB3 TYR 57 -8.487 -11.391 -1.356 318 HD1 TYR 57 HD2 TYR 57 -6.103 -11.805 -4.186 319 HD2 TYR 57 HD1 TYR 57 -9.860 -12.925 -2.502 320 HE1 TYR 57 HE2 TYR 57 -6.717 -12.902 -6.280 321 HE2 TYR 57 HE1 TYR 57 -10.476 -14.028 -4.611 322 HH TYR 57 HH TYR 57 -8.276 -14.759 -7.029 323 H ALA 58 H ALA 58 -5.715 -9.915 0.059 324 HA ALA 58 HA ALA 58 -7.654 -8.255 1.338 325 HB1 ALA 58 HB1 ALA 58 -4.784 -8.728 2.153 326 HB2 ALA 58 HB2 ALA 58 -6.126 -9.833 2.497 327 HB3 ALA 58 HB3 ALA 58 -6.132 -8.209 3.178 328 H LEU 59 H LEU 59 -4.615 -7.790 -0.268 329 HA LEU 59 HA LEU 59 -4.439 -4.991 0.479 330 HB2 LEU 59 HB2 LEU 59 -2.657 -7.127 0.010 331 HB3 LEU 59 HB3 LEU 59 -2.340 -5.952 -1.243 332 HG LEU 59 HG LEU 59 -1.651 -4.333 0.286 333 HD11 LEU 59 HD11 LEU 59 -3.134 -5.991 2.292 334 HD12 LEU 59 HD12 LEU 59 -3.402 -4.298 1.849 335 HD13 LEU 59 HD13 LEU 59 -1.970 -4.756 2.774 336 HD21 LEU 59 HD21 LEU 59 -0.861 -7.016 1.375 337 HD22 LEU 59 HD22 LEU 59 -0.040 -5.494 1.735 338 HD23 LEU 59 HD23 LEU 59 -0.045 -6.129 0.088 339 H GLY 60 H GLY 60 -5.100 -7.000 -2.274 340 HA2 GLY 60 HA3 GLY 60 -6.074 -6.210 -4.300 341 HA3 GLY 60 HA2 GLY 60 -5.385 -4.621 -3.975 342 H THR 61 H THR 61 -5.108 -7.154 -5.969 343 HA THR 61 HA THR 61 -2.488 -8.020 -5.874 344 HB THR 61 HB THR 61 -2.762 -8.601 -8.267 345 HG1 THR 61 HG1 THR 61 -4.053 -7.156 -9.218 346 HG21 THR 61 HG21 THR 61 -5.019 -9.260 -6.445 347 HG22 THR 61 HG22 THR 61 -3.505 -10.133 -6.576 348 HG23 THR 61 HG23 THR 61 -4.657 -10.139 -7.918 349 HA PRO 62 HA PRO 62 -0.050 -4.523 -6.714 350 HB2 PRO 62 HB2 PRO 62 1.920 -6.391 -7.842 351 HB3 PRO 62 HB3 PRO 62 2.069 -5.305 -6.464 352 HG2 PRO 62 HG2 PRO 62 1.854 -7.932 -6.095 353 HG3 PRO 62 HG3 PRO 62 1.033 -6.790 -5.014 354 HD2 PRO 62 HD2 PRO 62 -0.100 -8.381 -7.289 355 HD3 PRO 62 HD3 PRO 62 -0.776 -8.104 -5.673 356 H LEU 63 H LEU 63 1.231 -3.473 -8.326 357 HA LEU 63 HA LEU 63 -0.339 -2.780 -10.471 358 HB2 LEU 63 HB2 LEU 63 2.628 -2.377 -10.435 359 HB3 LEU 63 HB3 LEU 63 1.391 -1.310 -11.073 360 HG LEU 63 HG LEU 63 1.475 -1.895 -8.141 361 HD11 LEU 63 HD11 LEU 63 3.751 -1.300 -8.843 362 HD12 LEU 63 HD12 LEU 63 3.016 -0.069 -7.807 363 HD13 LEU 63 HD13 LEU 63 3.128 0.194 -9.549 364 HD21 LEU 63 HD21 LEU 63 -0.446 -0.693 -9.048 365 HD22 LEU 63 HD22 LEU 63 0.631 0.503 -9.773 366 HD23 LEU 63 HD23 LEU 63 0.523 0.361 -8.017 367 H MET 64 H MET 64 2.444 -4.909 -10.360 368 HA MET 64 HA MET 64 2.761 -5.341 -13.110 369 HB2 MET 64 HB2 MET 64 3.783 -7.581 -12.293 370 HB3 MET 64 HB3 MET 64 4.552 -6.067 -11.841 371 HG2 MET 64 HG2 MET 64 3.336 -6.179 -9.671 372 HG3 MET 64 HG3 MET 64 2.768 -7.783 -10.126 373 HE1 MET 64 HE1 MET 64 5.230 -8.633 -7.394 374 HE2 MET 64 HE2 MET 64 3.613 -8.003 -7.759 375 HE3 MET 64 HE3 MET 64 4.939 -6.892 -7.403 376 H SER 65 H SER 65 0.135 -6.110 -11.253 377 HA SER 65 HA SER 65 -1.847 -7.024 -11.819 378 HB2 SER 65 HB2 SER 65 -1.321 -6.135 -14.093 379 HB3 SER 65 HB3 SER 65 -0.627 -7.705 -14.501 380 HG SER 65 HG SER 65 -2.753 -8.572 -13.868 381 H ASP 66 H ASP 66 0.836 -8.709 -11.310 382 HA ASP 66 HA ASP 66 -0.654 -11.131 -10.844 383 HB2 ASP 66 HB2 ASP 66 0.078 -11.610 -13.049 384 HB3 ASP 66 HB3 ASP 66 1.722 -11.082 -12.703 385 HA PRO 67 HA PRO 67 1.936 -10.195 -7.313 386 HB2 PRO 67 HB2 PRO 67 0.479 -11.782 -5.626 387 HB3 PRO 67 HB3 PRO 67 0.013 -10.139 -6.073 388 HG2 PRO 67 HG2 PRO 67 -0.966 -12.750 -7.165 389 HG3 PRO 67 HG3 PRO 67 -1.897 -11.294 -6.748 390 HD2 PRO 67 HD2 PRO 67 -1.212 -11.891 -9.311 391 HD3 PRO 67 HD3 PRO 67 -1.320 -10.219 -8.712 392 H PHE 68 H PHE 68 0.815 -13.539 -8.008 393 HA PHE 68 HA PHE 68 2.960 -14.597 -6.429 394 HB2 PHE 68 HB2 PHE 68 1.960 -16.806 -7.339 395 HB3 PHE 68 HB3 PHE 68 1.076 -15.876 -6.149 396 HD1 PHE 68 HD1 PHE 68 1.251 -16.840 -9.696 397 HD2 PHE 68 HD2 PHE 68 -1.015 -14.903 -6.662 398 HE1 PHE 68 HE1 PHE 68 -0.715 -16.835 -11.175 399 HE2 PHE 68 HE2 PHE 68 -2.988 -14.893 -8.136 400 HZ PHE 68 HZ PHE 68 -2.839 -15.862 -10.394 401 H GLY 69 H GLY 69 3.341 -13.185 -9.147 402 HA2 GLY 69 HA3 GLY 69 4.920 -15.227 -10.497 403 HA3 GLY 69 HA2 GLY 69 4.735 -13.548 -11.000 404 H THR 70 H THR 70 5.217 -12.823 -8.111 405 HA THR 70 HA THR 70 8.133 -13.214 -8.032 406 HB THR 70 HB THR 70 7.448 -10.860 -8.676 407 HG1 THR 70 HG1 THR 70 9.115 -10.083 -7.517 408 HG21 THR 70 HG21 THR 70 5.420 -10.750 -7.288 409 HG22 THR 70 HG22 THR 70 6.540 -9.426 -6.935 410 HG23 THR 70 HG23 THR 70 6.435 -10.806 -5.840 411 H ASN 71 H ASN 71 8.940 -12.664 -5.741 412 HA ASN 71 HA ASN 71 7.053 -13.743 -3.750 413 HB2 ASN 71 HB2 ASN 71 10.001 -14.369 -4.045 414 HB3 ASN 71 HB3 ASN 71 9.049 -14.798 -2.631 415 HD21 ASN 71 HD21 ASN 71 9.315 -16.971 -2.856 416 HD22 ASN 71 HD22 ASN 71 8.586 -17.888 -4.133 417 H THR 72 H THR 72 8.219 -11.033 -4.654 418 HA THR 72 HA THR 72 8.628 -10.005 -1.944 419 HB THR 72 HB THR 72 10.254 -9.031 -4.290 420 HG1 THR 72 HG1 THR 72 10.582 -11.274 -2.709 421 HG21 THR 72 HG21 THR 72 9.927 -7.534 -2.359 422 HG22 THR 72 HG22 THR 72 11.613 -8.013 -2.564 423 HG23 THR 72 HG23 THR 72 10.625 -8.766 -1.313 424 H TRP 73 H TRP 73 6.954 -8.668 -1.657 425 HA TRP 73 HA TRP 73 5.884 -7.241 -4.000 426 HB2 TRP 73 HB2 TRP 73 4.571 -8.045 -1.401 427 HB3 TRP 73 HB3 TRP 73 3.787 -7.064 -2.631 428 HD1 TRP 73 HD TRP 73 5.629 -9.401 -4.623 429 HE1 TRP 73 HE1 TRP 73 4.229 -11.461 -5.270 430 HE3 TRP 73 HE3 TRP 73 1.820 -8.873 -1.271 431 HZ2 TRP 73 HZ2 TRP 73 1.836 -12.688 -4.469 432 HZ3 TRP 73 HZ3 TRP 73 0.008 -10.531 -1.289 433 HH2 TRP 73 HH TRP 73 0.019 -12.397 -2.854 434 H PHE 74 H PHE 74 5.559 -5.029 -3.949 435 HA PHE 74 HA PHE 74 6.608 -3.644 -1.560 436 HB2 PHE 74 HB2 PHE 74 6.746 -2.504 -4.347 437 HB3 PHE 74 HB3 PHE 74 7.632 -1.989 -2.913 438 HD1 PHE 74 HD2 PHE 74 9.155 -3.957 -1.883 439 HD2 PHE 74 HD1 PHE 74 7.894 -3.655 -5.935 440 HE1 PHE 74 HE2 PHE 74 11.035 -5.386 -2.575 441 HE2 PHE 74 HE1 PHE 74 9.775 -5.079 -6.633 442 HZ PHE 74 HZ PHE 74 11.348 -5.946 -4.950 443 H TYR 75 H TYR 75 5.217 -2.334 -0.588 444 HA TYR 75 HA TYR 75 3.085 -1.066 -2.166 445 HB2 TYR 75 HB2 TYR 75 2.657 -2.341 0.539 446 HB3 TYR 75 HB3 TYR 75 1.448 -1.520 -0.424 447 HD1 TYR 75 HD1 TYR 75 1.050 -2.536 -2.824 448 HD2 TYR 75 HD2 TYR 75 2.809 -4.577 0.440 449 HE1 TYR 75 HE1 TYR 75 0.470 -4.680 -3.876 450 HE2 TYR 75 HE2 TYR 75 2.260 -6.738 -0.581 451 HH TYR 75 HH TYR 75 0.650 -7.634 -2.216 452 H VAL 76 H VAL 76 1.907 0.560 -0.610 453 HA VAL 76 HA VAL 76 3.996 2.086 0.788 454 HB VAL 76 HB VAL 76 3.709 3.230 -1.241 455 HG11 VAL 76 HG11 VAL 76 0.732 2.910 -0.920 456 HG12 VAL 76 HG12 VAL 76 1.762 2.075 -2.082 457 HG13 VAL 76 HG13 VAL 76 1.523 3.817 -2.210 458 HG21 VAL 76 HG21 VAL 76 1.961 4.551 0.808 459 HG22 VAL 76 HG22 VAL 76 2.462 5.328 -0.691 460 HG23 VAL 76 HG23 VAL 76 3.676 4.843 0.495 461 H PHE 77 H PHE 77 3.296 3.315 2.561 462 HA PHE 77 HA PHE 77 0.897 2.302 3.848 463 HB2 PHE 77 HB2 PHE 77 3.130 4.095 4.772 464 HB3 PHE 77 HB3 PHE 77 1.682 3.856 5.735 465 HD1 PHE 77 HD2 PHE 77 1.467 0.845 4.845 466 HD2 PHE 77 HD1 PHE 77 4.563 3.246 6.496 467 HE1 PHE 77 HE2 PHE 77 2.454 -1.145 5.879 468 HE2 PHE 77 HE1 PHE 77 5.560 1.251 7.531 469 HZ PHE 77 HZ PHE 77 4.506 -0.950 7.223 470 H ARG 78 H ARG 78 -0.135 4.236 5.297 471 HA ARG 78 HA ARG 78 -1.445 5.847 3.310 472 HB2 ARG 78 HB2 ARG 78 -2.918 6.563 5.069 473 HB3 ARG 78 HB1 ARG 78 -2.709 4.824 5.170 474 HG2 ARG 78 HG2 ARG 78 -1.075 5.173 6.996 475 HG3 ARG 78 HG1 ARG 78 -1.429 6.900 6.914 476 HD2 ARG 78 HD2 ARG 78 -3.861 6.272 7.258 477 HD3 ARG 78 HD1 ARG 78 -3.282 4.661 7.676 478 HE ARG 78 HE ARG 78 -1.847 6.232 9.322 479 HH11 ARG 78 HH11 ARG 78 -5.278 6.109 8.595 480 HH12 ARG 78 HH12 ARG 78 -5.758 6.672 10.158 481 HH21 ARG 78 HH21 ARG 78 -2.503 6.954 11.410 482 HH22 ARG 78 HH22 ARG 78 -4.199 7.106 11.762 483 H GLN 79 H GLN 79 -1.801 8.285 3.973 484 HA GLN 79 HA GLN 79 0.493 9.583 3.333 485 HB2 GLN 79 HB2 GLN 79 -1.950 10.419 3.450 486 HB3 GLN 79 HB3 GLN 79 -1.500 10.957 5.059 487 HG2 GLN 79 HG2 GLN 79 0.336 12.269 4.092 488 HG3 GLN 79 HG3 GLN 79 -0.181 11.767 2.484 489 HE21 GLN 79 HE21 GLN 79 -0.841 13.782 5.209 490 HE22 GLN 79 HE22 GLN 79 -2.082 14.737 4.458 491 H GLN 80 H GLN 80 2.349 9.303 4.381 492 HA GLN 80 HA GLN 80 2.437 9.823 7.253 493 HB2 GLN 80 HB2 GLN 80 4.767 8.732 6.984 494 HB3 GLN 80 HB3 GLN 80 3.340 7.710 6.965 495 HG2 GLN 80 HG2 GLN 80 3.420 7.616 4.541 496 HG3 GLN 80 HG3 GLN 80 4.840 8.660 4.528 497 HE21 GLN 80 HE21 GLN 80 3.614 5.507 5.323 498 HE22 GLN 80 HE22 GLN 80 5.147 4.718 5.434 499 HA PRO 81 HA PRO 81 4.503 13.635 6.444 500 HB2 PRO 81 HB2 PRO 81 5.587 13.418 9.158 501 HB3 PRO 81 HB3 PRO 81 4.441 14.588 8.503 502 HG2 PRO 81 HG2 PRO 81 3.701 12.690 10.268 503 HG3 PRO 81 HG3 PRO 81 2.615 13.277 8.993 504 HD2 PRO 81 HD2 PRO 81 4.234 10.758 9.093 505 HD3 PRO 81 HD3 PRO 81 2.571 11.009 8.520 506 H GLY 82 H GLY 82 6.209 13.403 5.075 507 HA2 GLY 82 HA3 GLY 82 8.655 12.149 6.160 508 HA3 GLY 82 HA2 GLY 82 8.245 12.228 4.453 509 H HIS 83 H HIS 83 10.607 13.045 4.628 510 HA HIS 83 HA HIS 83 10.499 15.962 4.561 511 HB2 HIS 83 HB2 HIS 83 12.453 16.249 5.971 512 HB3 HIS 83 HB1 HIS 83 11.224 15.367 6.867 513 HD1 HIS 83 HD1 HIS 83 11.817 12.986 7.651 514 HD2 HIS 83 HD2 HIS 83 14.741 14.734 5.256 515 HE1 HIS 83 HE1 HIS 83 13.817 11.464 7.784 516 HE2 HIS 83 HE2 HIS 83 15.515 12.460 6.210 517 H GLU 84 H GLU 84 10.863 13.695 2.623 518 HA GLU 84 HA GLU 84 13.317 14.614 1.355 519 HB2 GLU 84 HB2 GLU 84 13.837 12.684 2.946 520 HB3 GLU 84 HB3 GLU 84 12.899 11.671 1.867 521 HG2 GLU 84 HG2 GLU 84 14.447 11.974 0.100 522 HG3 GLU 84 HG3 GLU 84 15.287 13.257 0.972 523 H GLY 85 H GLY 85 13.540 13.477 -0.867 524 HA2 GLY 85 HA3 GLY 85 11.263 13.829 -2.425 525 HA3 GLY 85 HA2 GLY 85 12.639 12.832 -2.890 526 H VAL 86 H VAL 86 12.690 10.642 -1.768 527 HA VAL 86 HA VAL 86 9.968 9.710 -1.143 528 HB VAL 86 HB VAL 86 12.232 7.969 -2.034 529 HG11 VAL 86 HG11 VAL 86 9.315 7.345 -1.684 530 HG12 VAL 86 HG12 VAL 86 10.599 6.917 -0.547 531 HG13 VAL 86 HG13 VAL 86 10.580 6.211 -2.169 532 HG21 VAL 86 HG21 VAL 86 9.856 8.943 -3.604 533 HG22 VAL 86 HG22 VAL 86 10.982 7.701 -4.150 534 HG23 VAL 86 HG23 VAL 86 11.545 9.354 -3.902 535 H THR 87 H THR 87 9.677 9.099 0.810 536 HA THR 87 HA THR 87 11.880 8.308 2.549 537 HB THR 87 HB THR 87 11.695 10.739 2.840 538 HG1 THR 87 HG1 THR 87 10.790 9.079 4.947 539 HG21 THR 87 HG21 THR 87 8.803 10.177 3.483 540 HG22 THR 87 HG22 THR 87 9.415 11.020 2.061 541 HG23 THR 87 HG23 THR 87 9.602 11.741 3.663 542 H GLN 88 H GLN 88 9.252 7.460 1.200 543 HA GLN 88 HA GLN 88 7.340 6.889 3.165 544 HB2 GLN 88 HB2 GLN 88 6.513 7.016 1.013 545 HB3 GLN 88 HB3 GLN 88 7.965 6.289 0.323 546 HG2 GLN 88 HG2 GLN 88 6.248 4.792 0.001 547 HG3 GLN 88 HG3 GLN 88 7.236 4.168 1.314 548 HE21 GLN 88 HE21 GLN 88 5.053 6.828 1.815 549 HE22 GLN 88 HE22 GLN 88 3.882 5.942 2.730 550 H GLN 89 H GLN 89 7.404 5.232 4.612 551 HA GLN 89 HA GLN 89 9.340 3.125 4.270 552 HB2 GLN 89 HB2 GLN 89 7.176 3.369 6.364 553 HB3 GLN 89 HB3 GLN 89 8.558 2.279 6.399 554 HG2 GLN 89 HG2 GLN 89 10.037 4.293 6.389 555 HG3 GLN 89 HG3 GLN 89 8.593 5.275 6.607 556 HE21 GLN 89 HE21 GLN 89 10.864 5.042 8.353 557 HE22 GLN 89 HE22 GLN 89 10.274 4.428 9.865 558 H THR 90 H THR 90 8.931 1.699 2.768 559 HA THR 90 HA THR 90 6.232 1.186 1.879 560 HB THR 90 HB THR 90 7.543 -0.218 0.162 561 HG1 THR 90 HG1 THR 90 9.495 0.102 1.722 562 HG21 THR 90 HG21 THR 90 8.462 2.069 -0.799 563 HG22 THR 90 HG22 THR 90 7.436 2.731 0.470 564 HG23 THR 90 HG23 THR 90 6.749 1.686 -0.782 565 H LEU 91 H LEU 91 5.364 -0.887 1.594 566 HA LEU 91 HA LEU 91 6.166 -2.794 3.644 567 HB2 LEU 91 HB2 LEU 91 3.747 -2.129 3.223 568 HB3 LEU 91 HB3 LEU 91 3.859 -3.008 1.709 569 HG LEU 91 HG LEU 91 4.481 -5.048 3.050 570 HD11 LEU 91 HD11 LEU 91 3.551 -4.848 5.449 571 HD12 LEU 91 HD12 LEU 91 3.864 -3.117 5.243 572 HD13 LEU 91 HD13 LEU 91 5.190 -4.275 5.109 573 HD21 LEU 91 HD21 LEU 91 2.203 -5.512 3.842 574 HD22 LEU 91 HD22 LEU 91 2.258 -4.883 2.185 575 HD23 LEU 91 HD23 LEU 91 1.776 -3.824 3.513 576 H THR 92 H THR 92 7.662 -4.246 3.119 577 HA THR 92 HA THR 92 7.703 -5.271 0.360 578 HB THR 92 HB THR 92 9.891 -5.433 2.443 579 HG1 THR 92 HG1 THR 92 9.128 -3.390 0.889 580 HG21 THR 92 HG21 THR 92 9.924 -7.233 0.765 581 HG22 THR 92 HG22 THR 92 11.293 -6.134 0.568 582 HG23 THR 92 HG23 THR 92 9.907 -6.026 -0.521 583 H LEU 93 H LEU 93 6.446 -7.039 0.324 584 HA LEU 93 HA LEU 93 6.187 -8.566 2.773 585 HB2 LEU 93 HB2 LEU 93 4.321 -7.899 0.993 586 HB3 LEU 93 HB3 LEU 93 4.807 -9.441 0.295 587 HG LEU 93 HG LEU 93 4.378 -10.486 2.498 588 HD11 LEU 93 HD11 LEU 93 2.784 -8.856 3.855 589 HD12 LEU 93 HD12 LEU 93 3.866 -7.657 3.159 590 HD13 LEU 93 HD13 LEU 93 4.513 -8.961 4.157 591 HD21 LEU 93 HD21 LEU 93 1.907 -9.052 1.769 592 HD22 LEU 93 HD22 LEU 93 2.159 -10.758 2.120 593 HD23 LEU 93 HD23 LEU 93 2.665 -10.084 0.565 594 H THR 94 H THR 94 7.296 -10.328 3.228 595 HA THR 94 HA THR 94 8.963 -11.476 1.150 596 HB THR 94 HB THR 94 9.111 -11.482 4.160 597 HG1 THR 94 HG1 THR 94 10.152 -9.939 2.202 598 HG21 THR 94 HG21 THR 94 9.761 -13.639 3.371 599 HG22 THR 94 HG22 THR 94 11.199 -12.755 3.892 600 HG23 THR 94 HG23 THR 94 10.837 -12.931 2.171 601 H PHE 95 H PHE 95 8.390 -13.321 0.300 602 HA PHE 95 HA PHE 95 6.645 -15.151 1.809 603 HB2 PHE 95 HB2 PHE 95 6.848 -14.592 -1.143 604 HB3 PHE 95 HB3 PHE 95 6.073 -16.039 -0.522 605 HD1 PHE 95 HD2 PHE 95 4.108 -15.815 0.942 606 HD2 PHE 95 HD1 PHE 95 5.733 -12.514 -1.163 607 HE1 PHE 95 HE2 PHE 95 1.999 -14.608 1.255 608 HE2 PHE 95 HE1 PHE 95 3.622 -11.285 -0.858 609 HZ PHE 95 HZ PHE 95 1.755 -12.344 0.357 610 H ASN 96 H ASN 96 7.274 -17.189 2.113 611 HA ASN 96 HA ASN 96 9.946 -17.968 1.418 612 HB2 ASN 96 HB2 ASN 96 9.385 -20.112 2.516 613 HB3 ASN 96 HB3 ASN 96 9.021 -18.720 3.524 614 HD21 ASN 96 HD21 ASN 96 7.567 -19.806 4.761 615 HD22 ASN 96 HD22 ASN 96 6.015 -20.303 4.190 616 H SER 97 H SER 97 10.006 -20.493 0.658 617 HA SER 97 HA SER 97 9.719 -20.399 -2.077 618 HB2 SER 97 HB2 SER 97 9.726 -22.859 -0.321 619 HB3 SER 97 HB3 SER 97 10.096 -22.822 -2.045 620 HG SER 97 HG SER 97 12.037 -22.711 -1.071 621 H SER 98 H SER 98 7.277 -21.390 0.274 622 HA SER 98 HA SER 98 5.737 -22.760 -1.758 623 HB2 SER 98 HB2 SER 98 5.929 -23.530 0.650 624 HB3 SER 98 HB3 SER 98 4.909 -22.162 1.084 625 HG SER 98 HG SER 98 4.245 -24.304 -0.664 626 H GLY 99 H GLY 99 6.108 -19.581 -0.775 627 HA2 GLY 99 HA3 GLY 99 4.963 -17.722 -1.641 628 HA3 GLY 99 HA2 GLY 99 3.668 -18.797 -2.167 629 H VAL 100 H VAL 100 5.017 -18.887 1.005 630 HA VAL 100 HA VAL 100 2.441 -18.024 2.127 631 HB VAL 100 HB VAL 100 4.625 -19.614 3.479 632 HG11 VAL 100 HG11 VAL 100 1.730 -19.152 4.183 633 HG12 VAL 100 HG12 VAL 100 3.139 -18.507 5.026 634 HG13 VAL 100 HG13 VAL 100 2.822 -20.242 5.040 635 HG21 VAL 100 HG21 VAL 100 2.198 -20.606 1.995 636 HG22 VAL 100 HG22 VAL 100 3.165 -21.596 3.091 637 HG23 VAL 100 HG23 VAL 100 3.897 -20.932 1.627 638 H LEU 101 H LEU 101 2.410 -16.356 3.629 639 HA LEU 101 HA LEU 101 4.508 -14.504 3.635 640 HB2 LEU 101 HB2 LEU 101 1.919 -14.825 4.952 641 HB3 LEU 101 HB3 LEU 101 3.093 -13.905 5.879 642 HG LEU 101 HG LEU 101 2.147 -13.316 3.096 643 HD11 LEU 101 HD11 LEU 101 1.846 -11.810 5.673 644 HD12 LEU 101 HD12 LEU 101 0.574 -12.745 4.886 645 HD13 LEU 101 HD13 LEU 101 1.228 -11.307 4.099 646 HD21 LEU 101 HD21 LEU 101 4.129 -11.811 4.761 647 HD22 LEU 101 HD22 LEU 101 3.566 -11.383 3.146 648 HD23 LEU 101 HD23 LEU 101 4.537 -12.840 3.392 649 H THR 102 H THR 102 6.304 -14.454 4.646 650 HA THR 102 HA THR 102 6.590 -15.966 7.152 651 HB THR 102 HB THR 102 8.911 -16.160 6.759 652 HG1 THR 102 HG1 THR 102 9.956 -14.576 5.831 653 HG21 THR 102 HG21 THR 102 7.356 -17.445 5.200 654 HG22 THR 102 HG22 THR 102 9.049 -17.311 4.715 655 HG23 THR 102 HG23 THR 102 7.831 -16.276 3.968 656 H ASN 103 H ASN 103 7.357 -12.911 5.532 657 HA ASN 103 HA ASN 103 7.205 -11.602 8.164 658 HB2 ASN 103 HB2 ASN 103 9.462 -11.313 6.215 659 HB3 ASN 103 HB3 ASN 103 9.079 -10.038 7.344 660 HD21 ASN 103 HD21 ASN 103 10.997 -10.156 8.407 661 HD22 ASN 103 HD22 ASN 103 11.432 -11.472 9.438 662 H ILE 104 H ILE 104 6.683 -9.451 8.137 663 HA ILE 104 HA ILE 104 5.688 -8.356 5.580 664 HB ILE 104 HB ILE 104 4.932 -7.213 8.253 665 HG12 ILE 104 HG12 ILE 104 4.374 -9.635 8.379 666 HG13 ILE 104 HG13 ILE 104 2.962 -8.591 8.447 667 HG21 ILE 104 HG21 ILE 104 3.529 -7.266 5.575 668 HG22 ILE 104 HG22 ILE 104 4.417 -5.920 6.281 669 HG23 ILE 104 HG23 ILE 104 2.926 -6.484 7.036 670 HD11 ILE 104 HD11 ILE 104 2.588 -9.079 6.035 671 HD12 ILE 104 HD12 ILE 104 2.444 -10.475 7.108 672 HD13 ILE 104 HD13 ILE 104 3.899 -10.258 6.129 673 H ASP 105 H ASP 105 7.599 -7.344 4.915 674 HA ASP 105 HA ASP 105 9.290 -6.081 6.908 675 HB2 ASP 105 HB2 ASP 105 10.207 -7.472 5.046 676 HB3 ASP 105 HB3 ASP 105 9.689 -6.239 3.917 677 H ASN 106 H ASN 106 8.313 -4.227 7.572 678 HA ASN 106 HA ASN 106 7.693 -2.279 5.491 679 HB2 ASN 106 HB2 ASN 106 6.455 -1.093 7.355 680 HB3 ASN 106 HB3 ASN 106 5.779 -2.609 6.811 681 HD21 ASN 106 HD21 ASN 106 5.824 -4.388 8.167 682 HD22 ASN 106 HD22 ASN 106 6.132 -4.244 9.859 683 H LYS 107 H LYS 107 9.393 -1.190 5.030 684 HA LYS 107 HA LYS 107 10.915 0.186 7.120 685 HB2 LYS 107 HB2 LYS 107 13.021 -0.586 6.290 686 HB3 LYS 107 HB1 LYS 107 12.019 -2.013 6.487 687 HG2 LYS 107 HG2 LYS 107 11.524 -2.044 4.127 688 HG3 LYS 107 HG1 LYS 107 12.461 -0.567 3.923 689 HD2 LYS 107 HD2 LYS 107 14.488 -1.722 4.570 690 HD3 LYS 107 HD1 LYS 107 13.573 -3.195 4.899 691 HE2 LYS 107 HE2 LYS 107 13.943 -1.848 2.228 692 HE3 LYS 107 HE1 LYS 107 14.644 -3.381 2.744 693 HZ1 LYS 107 HZ1 LYS 107 11.768 -2.808 2.296 694 HZ2 LYS 107 HZ2 LYS 107 12.351 -4.250 2.961 695 HZ3 LYS 107 HZ3 LYS 107 12.755 -3.819 1.368 696 HA PRO 108 HA PRO 108 10.739 3.479 4.297 697 HB2 PRO 108 HB2 PRO 108 13.176 4.702 4.588 698 HB3 PRO 108 HB3 PRO 108 11.835 4.833 5.714 699 HG2 PRO 108 HG2 PRO 108 14.367 3.406 5.977 700 HG3 PRO 108 HG3 PRO 108 13.211 3.880 7.229 701 HD2 PRO 108 HD2 PRO 108 13.596 1.291 6.098 702 HD3 PRO 108 HD3 PRO 108 12.390 1.788 7.284 703 H ALA 109 H ALA 109 11.052 4.100 2.236 704 HA ALA 109 HA ALA 109 12.658 2.350 0.579 705 HB1 ALA 109 HB1 ALA 109 10.889 4.620 -0.247 706 HB2 ALA 109 HB2 ALA 109 10.369 2.950 -0.015 707 HB3 ALA 109 HB3 ALA 109 11.552 3.340 -1.271 708 H LEU 110 H LEU 110 13.371 3.600 -1.479 709 HA LEU 110 HA LEU 110 15.520 5.382 -0.604 710 HB2 LEU 110 HB2 LEU 110 15.329 4.172 -3.329 711 HB3 LEU 110 HB3 LEU 110 16.757 4.544 -2.378 712 HG LEU 110 HG LEU 110 14.838 2.308 -1.723 713 HD11 LEU 110 HD11 LEU 110 16.729 0.858 -2.537 714 HD12 LEU 110 HD12 LEU 110 17.407 2.301 -3.298 715 HD13 LEU 110 HD13 LEU 110 15.817 1.706 -3.788 716 HD21 LEU 110 HD21 LEU 110 16.091 3.084 0.193 717 HD22 LEU 110 HD22 LEU 110 17.602 2.983 -0.715 718 HD23 LEU 110 HD23 LEU 110 16.707 1.513 -0.332 719 H SER 111 H SER 111 15.648 7.431 -1.362 720 HA SER 111 HA SER 111 13.374 8.641 -2.503 721 HB2 SER 111 HB2 SER 111 15.020 9.734 -0.942 722 HB3 SER 111 HB3 SER 111 16.128 9.859 -2.307 723 HG SER 111 HG SER 111 14.899 11.373 -3.204 724 H GLY 112 H GLY 112 15.342 6.696 -4.090 725 HA2 GLY 112 HA3 GLY 112 15.229 8.267 -6.570 726 HA3 GLY 112 HA2 GLY 112 16.402 7.004 -6.267 727 H ASN 113 H ASN 113 13.237 6.624 -5.240 728 HA ASN 113 HA ASN 113 12.827 4.422 -7.109 729 HB2 ASN 113 HB2 ASN 113 11.516 5.234 -4.525 730 HB3 ASN 113 HB3 ASN 113 10.729 4.092 -5.607 731 HD21 ASN 113 HD21 ASN 113 14.174 4.166 -5.447 732 HD22 ASN 113 HD22 ASN 113 14.373 2.698 -4.560 Start of MODEL 8 1 H1 GLY 17 H1 GLY 17 2.130 39.517 0.149 2 H2 GLY 17 H2 GLY 17 2.197 39.764 1.824 3 H3 GLY 17 H3 GLY 17 1.203 40.744 0.860 4 HA2 GLY 17 HA2 GLY 17 -0.189 38.861 0.312 5 HA3 GLY 17 HA3 GLY 17 0.862 37.826 1.267 6 H SER 18 H SER 18 -1.917 38.115 1.697 7 HA SER 18 HA SER 18 -2.192 39.874 4.000 8 HB2 SER 18 HB2 SER 18 -4.247 38.028 2.765 9 HB3 SER 18 HB3 SER 18 -4.552 39.367 3.871 10 HG SER 18 HG SER 18 -3.371 39.646 1.293 11 H HIS 19 H HIS 19 -0.883 38.868 5.541 12 HA HIS 19 HA HIS 19 -1.277 36.120 6.275 13 HB2 HIS 19 HB2 HIS 19 0.211 36.622 8.180 14 HB3 HIS 19 HB1 HIS 19 0.899 37.151 6.653 15 HD1 HIS 19 HD1 HIS 19 1.766 39.481 6.602 16 HD2 HIS 19 HD2 HIS 19 -0.936 38.880 9.711 17 HE1 HIS 19 HE1 HIS 19 1.783 41.609 7.944 18 HE2 HIS 19 HE2 HIS 19 0.035 41.276 9.728 19 H MET 20 H MET 20 -1.908 35.509 8.530 20 HA MET 20 HA MET 20 -3.567 35.293 10.066 21 HB2 MET 20 HB2 MET 20 -3.483 38.310 9.932 22 HB3 MET 20 HB3 MET 20 -4.431 37.413 11.108 23 HG2 MET 20 HG2 MET 20 -2.441 36.463 12.062 24 HG3 MET 20 HG3 MET 20 -1.446 37.213 10.815 25 HE1 MET 20 HE1 MET 20 -3.793 39.648 13.957 26 HE2 MET 20 HE2 MET 20 -3.846 37.889 13.860 27 HE3 MET 20 HE3 MET 20 -4.545 38.864 12.567 28 H SER 21 H SER 21 -5.909 36.670 10.537 29 HA SER 21 HA SER 21 -8.067 36.835 9.881 30 HB2 SER 21 HB2 SER 21 -6.844 37.701 7.251 31 HB3 SER 21 HB3 SER 21 -8.499 38.005 7.780 32 HG SER 21 HG SER 21 -6.419 39.525 8.205 33 H THR 22 H THR 22 -7.337 34.273 9.891 34 HA THR 22 HA THR 22 -8.034 33.034 7.369 35 HB THR 22 HB THR 22 -7.664 31.731 10.080 36 HG1 THR 22 HG1 THR 22 -5.871 32.497 8.036 37 HG21 THR 22 HG21 THR 22 -7.613 30.562 7.290 38 HG22 THR 22 HG22 THR 22 -8.900 30.341 8.476 39 HG23 THR 22 HG23 THR 22 -7.294 29.683 8.786 40 H LEU 23 H LEU 23 -10.052 34.074 7.129 41 HA LEU 23 HA LEU 23 -12.145 33.569 9.083 42 HB2 LEU 23 HB2 LEU 23 -12.218 35.126 6.498 43 HB3 LEU 23 HB3 LEU 23 -13.456 35.126 7.740 44 HG LEU 23 HG LEU 23 -10.640 36.108 8.191 45 HD11 LEU 23 HD11 LEU 23 -11.733 37.468 6.494 46 HD12 LEU 23 HD12 LEU 23 -11.561 38.356 8.008 47 HD13 LEU 23 HD13 LEU 23 -13.127 37.682 7.554 48 HD21 LEU 23 HD21 LEU 23 -11.661 37.200 10.148 49 HD22 LEU 23 HD22 LEU 23 -11.769 35.441 10.223 50 HD23 LEU 23 HD23 LEU 23 -13.186 36.396 9.779 51 H GLU 24 H GLU 24 -11.578 31.169 8.187 52 HA GLU 24 HA GLU 24 -13.913 30.491 6.622 53 HB2 GLU 24 HB2 GLU 24 -12.526 29.001 5.095 54 HB3 GLU 24 HB3 GLU 24 -12.457 30.729 4.792 55 HG2 GLU 24 HG2 GLU 24 -10.310 30.847 5.943 56 HG3 GLU 24 HG3 GLU 24 -10.381 29.113 6.251 57 H ARG 25 H ARG 25 -10.941 28.685 7.448 58 HA ARG 25 HA ARG 25 -10.630 26.709 8.508 59 HB2 ARG 25 HB2 ARG 25 -12.812 27.897 10.215 60 HB3 ARG 25 HB1 ARG 25 -12.048 26.358 10.599 61 HG2 ARG 25 HG2 ARG 25 -9.867 27.501 10.682 62 HG3 ARG 25 HG1 ARG 25 -10.684 29.036 10.380 63 HD2 ARG 25 HD2 ARG 25 -10.187 28.622 12.778 64 HD3 ARG 25 HD1 ARG 25 -11.902 28.861 12.436 65 HE ARG 25 HE ARG 25 -12.015 26.335 12.476 66 HH11 ARG 25 HH11 ARG 25 -9.623 28.105 14.320 67 HH12 ARG 25 HH12 ARG 25 -9.515 26.896 15.569 68 HH21 ARG 25 HH21 ARG 25 -11.884 24.763 14.083 69 HH22 ARG 25 HH22 ARG 25 -10.802 24.976 15.432 70 H VAL 26 H VAL 26 -11.935 26.438 6.228 71 HA VAL 26 HA VAL 26 -13.487 24.048 6.668 72 HB VAL 26 HB VAL 26 -15.295 25.639 6.691 73 HG11 VAL 26 HG11 VAL 26 -14.223 26.710 4.087 74 HG12 VAL 26 HG12 VAL 26 -14.215 27.538 5.645 75 HG13 VAL 26 HG13 VAL 26 -15.746 27.181 4.845 76 HG21 VAL 26 HG21 VAL 26 -15.762 23.585 5.538 77 HG22 VAL 26 HG22 VAL 26 -15.114 24.236 4.032 78 HG23 VAL 26 HG23 VAL 26 -16.592 24.911 4.722 79 H VAL 27 H VAL 27 -11.703 23.083 5.761 80 HA VAL 27 HA VAL 27 -11.048 23.824 3.008 81 HB VAL 27 HB VAL 27 -9.310 24.060 4.915 82 HG11 VAL 27 HG11 VAL 27 -9.650 21.893 5.934 83 HG12 VAL 27 HG12 VAL 27 -7.986 22.066 5.376 84 HG13 VAL 27 HG13 VAL 27 -9.129 21.092 4.449 85 HG21 VAL 27 HG21 VAL 27 -8.877 24.181 2.430 86 HG22 VAL 27 HG22 VAL 27 -8.361 22.496 2.530 87 HG23 VAL 27 HG23 VAL 27 -7.506 23.734 3.442 88 H TYR 28 H TYR 28 -9.823 21.725 1.993 89 HA TYR 28 HA TYR 28 -11.624 19.793 1.338 90 HB2 TYR 28 HB2 TYR 28 -8.632 19.494 1.640 91 HB3 TYR 28 HB3 TYR 28 -9.666 18.356 0.795 92 HD1 TYR 28 HD2 TYR 28 -10.782 19.040 -1.318 93 HD2 TYR 28 HD1 TYR 28 -7.890 21.499 0.598 94 HE1 TYR 28 HE2 TYR 28 -10.469 20.290 -3.412 95 HE2 TYR 28 HE1 TYR 28 -7.566 22.756 -1.490 96 HH TYR 28 HH TYR 28 -9.667 22.472 -4.164 97 H ARG 29 H ARG 29 -12.596 18.186 2.414 98 HA ARG 29 HA ARG 29 -11.766 17.168 4.928 99 HB2 ARG 29 HB2 ARG 29 -13.515 15.975 2.751 100 HB3 ARG 29 HB1 ARG 29 -13.323 15.278 4.356 101 HG2 ARG 29 HG2 ARG 29 -14.422 17.059 5.388 102 HG3 ARG 29 HG1 ARG 29 -14.261 18.096 3.973 103 HD2 ARG 29 HD2 ARG 29 -16.542 17.341 4.170 104 HD3 ARG 29 HD1 ARG 29 -15.798 16.622 2.743 105 HE ARG 29 HE ARG 29 -15.483 14.597 4.268 106 HH11 ARG 29 HH11 ARG 29 -18.118 16.879 4.622 107 HH12 ARG 29 HH12 ARG 29 -19.248 15.683 5.195 108 HH21 ARG 29 HH21 ARG 29 -16.965 13.010 4.998 109 HH22 ARG 29 HH22 ARG 29 -18.595 13.482 5.396 110 HA PRO 30 HA PRO 30 -8.059 15.058 4.078 111 HB2 PRO 30 HB2 PRO 30 -9.429 12.723 5.346 112 HB3 PRO 30 HB3 PRO 30 -7.824 13.381 5.645 113 HG2 PRO 30 HG2 PRO 30 -9.867 13.892 7.286 114 HG3 PRO 30 HG3 PRO 30 -8.598 15.081 6.959 115 HD2 PRO 30 HD2 PRO 30 -11.399 15.065 6.100 116 HD3 PRO 30 HD3 PRO 30 -10.263 16.414 6.223 117 H ASP 31 H ASP 31 -7.375 14.230 2.237 118 HA ASP 31 HA ASP 31 -8.742 12.074 0.879 119 HB2 ASP 31 HB2 ASP 31 -9.982 14.146 0.199 120 HB3 ASP 31 HB3 ASP 31 -8.462 14.765 -0.433 121 H ILE 32 H ILE 32 -6.966 10.938 0.810 122 HA ILE 32 HA ILE 32 -4.370 11.901 0.248 123 HB ILE 32 HB ILE 32 -5.400 9.076 -0.018 124 HG12 ILE 32 HG12 ILE 32 -5.753 10.077 2.224 125 HG13 ILE 32 HG13 ILE 32 -4.575 8.772 2.254 126 HG21 ILE 32 HG21 ILE 32 -2.954 8.592 0.460 127 HG22 ILE 32 HG22 ILE 32 -2.650 10.274 0.029 128 HG23 ILE 32 HG23 ILE 32 -3.358 9.168 -1.155 129 HD11 ILE 32 HD11 ILE 32 -3.936 10.712 3.614 130 HD12 ILE 32 HD12 ILE 32 -3.878 11.689 2.154 131 HD13 ILE 32 HD13 ILE 32 -2.768 10.332 2.356 132 H ASN 33 H ASN 33 -3.198 11.946 -1.618 133 HA ASN 33 HA ASN 33 -4.654 12.072 -4.098 134 HB2 ASN 33 HB2 ASN 33 -2.832 13.209 -4.908 135 HB3 ASN 33 HB3 ASN 33 -2.495 13.392 -3.192 136 HD21 ASN 33 HD21 ASN 33 -0.805 12.264 -2.271 137 HD22 ASN 33 HD22 ASN 33 0.395 11.442 -3.214 138 H GLN 34 H GLN 34 -2.931 9.719 -2.382 139 HA GLN 34 HA GLN 34 -2.729 8.018 -4.750 140 HB2 GLN 34 HB2 GLN 34 -0.745 6.997 -3.772 141 HB3 GLN 34 HB3 GLN 34 -0.510 8.722 -3.965 142 HG2 GLN 34 HG2 GLN 34 -1.164 8.939 -1.531 143 HG3 GLN 34 HG3 GLN 34 -0.992 7.187 -1.441 144 HE21 GLN 34 HE21 GLN 34 0.743 7.076 -0.181 145 HE22 GLN 34 HE22 GLN 34 2.308 7.679 -0.603 146 H GLY 35 H GLY 35 -2.416 5.620 -3.888 147 HA2 GLY 35 HA3 GLY 35 -3.162 4.290 -1.856 148 HA3 GLY 35 HA2 GLY 35 -4.641 5.224 -2.018 149 H ASN 36 H ASN 36 -3.641 4.834 -5.068 150 HA ASN 36 HA ASN 36 -5.564 2.923 -5.803 151 HB2 ASN 36 HB2 ASN 36 -4.530 4.657 -7.322 152 HB3 ASN 36 HB3 ASN 36 -3.089 3.653 -7.381 153 HD21 ASN 36 HD21 ASN 36 -3.213 3.283 -9.538 154 HD22 ASN 36 HD22 ASN 36 -4.448 2.309 -10.248 155 H TYR 37 H TYR 37 -2.263 2.657 -4.796 156 HA TYR 37 HA TYR 37 -2.219 -0.194 -5.345 157 HB2 TYR 37 HB2 TYR 37 0.057 0.155 -3.968 158 HB3 TYR 37 HB3 TYR 37 -0.066 0.425 -5.698 159 HD1 TYR 37 HD2 TYR 37 -0.981 2.538 -2.726 160 HD2 TYR 37 HD1 TYR 37 1.307 2.165 -6.290 161 HE1 TYR 37 HE2 TYR 37 -0.132 4.814 -2.400 162 HE2 TYR 37 HE1 TYR 37 2.167 4.446 -5.977 163 HH TYR 37 HH TYR 37 1.618 6.485 -4.851 164 H LEU 38 H LEU 38 -0.668 0.810 -2.431 165 HA LEU 38 HA LEU 38 -2.945 -0.026 -0.799 166 HB2 LEU 38 HB2 LEU 38 -1.374 -1.938 -1.238 167 HB3 LEU 38 HB3 LEU 38 -0.138 -1.043 -0.373 168 HG LEU 38 HG LEU 38 -2.036 -1.017 1.489 169 HD11 LEU 38 HD11 LEU 38 -3.739 -2.138 0.344 170 HD12 LEU 38 HD12 LEU 38 -3.064 -3.347 1.431 171 HD13 LEU 38 HD13 LEU 38 -2.640 -3.354 -0.282 172 HD21 LEU 38 HD21 LEU 38 -0.205 -3.339 0.922 173 HD22 LEU 38 HD22 LEU 38 -0.972 -2.992 2.471 174 HD23 LEU 38 HD23 LEU 38 0.213 -1.870 1.802 175 H THR 39 H THR 39 -2.806 0.728 1.395 176 HA THR 39 HA THR 39 -0.693 2.692 1.930 177 HB THR 39 HB THR 39 -2.277 4.115 3.089 178 HG1 THR 39 HG1 THR 39 -4.221 2.165 2.290 179 HG21 THR 39 HG21 THR 39 -2.038 3.909 0.430 180 HG22 THR 39 HG22 THR 39 -3.049 5.122 1.218 181 HG23 THR 39 HG23 THR 39 -3.772 3.639 0.591 182 H ALA 40 H ALA 40 -1.227 3.312 4.545 183 HA ALA 40 HA ALA 40 0.003 1.081 5.826 184 HB1 ALA 40 HB1 ALA 40 -1.133 3.574 7.085 185 HB2 ALA 40 HB2 ALA 40 0.495 3.406 6.427 186 HB3 ALA 40 HB3 ALA 40 0.007 2.449 7.824 187 H ASN 41 H ASN 41 -3.165 2.590 6.201 188 HA ASN 41 HA ASN 41 -4.214 0.889 8.153 189 HB2 ASN 41 HB2 ASN 41 -6.423 1.591 6.902 190 HB3 ASN 41 HB3 ASN 41 -5.517 2.744 7.873 191 HD21 ASN 41 HD21 ASN 41 -6.527 1.858 4.699 192 HD22 ASN 41 HD22 ASN 41 -5.816 3.209 3.873 193 H ASP 42 H ASP 42 -3.945 0.528 4.688 194 HA ASP 42 HA ASP 42 -5.589 -1.799 4.525 195 HB2 ASP 42 HB2 ASP 42 -3.410 -0.890 2.644 196 HB3 ASP 42 HB3 ASP 42 -4.616 -2.123 2.307 197 H VAL 43 H VAL 43 -2.150 -1.222 5.019 198 HA VAL 43 HA VAL 43 -1.209 -3.849 4.915 199 HB VAL 43 HB VAL 43 -0.315 -1.548 6.656 200 HG11 VAL 43 HG11 VAL 43 1.053 -4.184 6.193 201 HG12 VAL 43 HG12 VAL 43 0.307 -3.664 7.710 202 HG13 VAL 43 HG13 VAL 43 1.723 -2.812 7.085 203 HG21 VAL 43 HG21 VAL 43 1.170 -2.748 4.393 204 HG22 VAL 43 HG22 VAL 43 1.307 -1.128 5.072 205 HG23 VAL 43 HG23 VAL 43 -0.096 -1.558 4.088 206 H SER 44 H SER 44 -2.873 -2.107 7.448 207 HA SER 44 HA SER 44 -2.543 -3.909 9.556 208 HB2 SER 44 HB2 SER 44 -3.358 -1.597 9.744 209 HB3 SER 44 HB3 SER 44 -4.890 -2.086 9.033 210 HG SER 44 HG SER 44 -5.446 -2.540 10.999 211 H LYS 45 H LYS 45 -4.394 -4.174 6.706 212 HA LYS 45 HA LYS 45 -6.453 -5.876 7.701 213 HB2 LYS 45 HB2 LYS 45 -5.498 -5.409 4.892 214 HB3 LYS 45 HB1 LYS 45 -6.977 -6.250 5.336 215 HG2 LYS 45 HG2 LYS 45 -7.870 -4.240 6.328 216 HG3 LYS 45 HG1 LYS 45 -6.366 -3.377 5.998 217 HD2 LYS 45 HD2 LYS 45 -8.028 -2.819 4.320 218 HD3 LYS 45 HD1 LYS 45 -6.727 -3.763 3.582 219 HE2 LYS 45 HE2 LYS 45 -8.148 -5.799 3.985 220 HE3 LYS 45 HE1 LYS 45 -9.464 -4.702 4.397 221 HZ1 LYS 45 HZ1 LYS 45 -9.572 -5.410 2.084 222 HZ2 LYS 45 HZ2 LYS 45 -8.043 -4.746 1.785 223 HZ3 LYS 45 HZ3 LYS 45 -9.337 -3.736 2.198 224 H ILE 46 H ILE 46 -3.207 -6.426 6.487 225 HA ILE 46 HA ILE 46 -3.769 -9.257 6.230 226 HB ILE 46 HB ILE 46 -1.556 -9.492 5.261 227 HG12 ILE 46 HG12 ILE 46 -1.338 -6.477 5.296 228 HG13 ILE 46 HG13 ILE 46 -0.518 -7.528 6.451 229 HG21 ILE 46 HG21 ILE 46 -2.056 -8.436 3.154 230 HG22 ILE 46 HG22 ILE 46 -3.218 -7.372 3.949 231 HG23 ILE 46 HG23 ILE 46 -3.507 -9.112 3.890 232 HD11 ILE 46 HD11 ILE 46 -0.193 -7.950 3.506 233 HD12 ILE 46 HD12 ILE 46 0.880 -8.420 4.838 234 HD13 ILE 46 HD13 ILE 46 0.759 -6.722 4.368 235 H ARG 47 H ARG 47 -1.749 -10.594 6.726 236 HA ARG 47 HA ARG 47 -0.345 -10.085 9.140 237 HB2 ARG 47 HB2 ARG 47 -1.503 -11.754 10.547 238 HB3 ARG 47 HB1 ARG 47 -2.554 -10.402 10.152 239 HG2 ARG 47 HG2 ARG 47 -2.623 -12.863 8.465 240 HG3 ARG 47 HG1 ARG 47 -3.450 -12.845 10.027 241 HD2 ARG 47 HD2 ARG 47 -4.726 -10.871 9.316 242 HD3 ARG 47 HD1 ARG 47 -3.899 -10.897 7.757 243 HE ARG 47 HE ARG 47 -4.988 -13.368 7.900 244 HH11 ARG 47 HH11 ARG 47 -6.322 -10.145 8.330 245 HH12 ARG 47 HH12 ARG 47 -7.915 -10.600 7.799 246 HH21 ARG 47 HH21 ARG 47 -7.070 -13.951 7.182 247 HH22 ARG 47 HH22 ARG 47 -8.333 -12.763 7.134 248 H VAL 48 H VAL 48 1.066 -11.774 9.663 249 HA VAL 48 HA VAL 48 1.941 -13.243 7.400 250 HB VAL 48 HB VAL 48 2.926 -13.964 10.089 251 HG11 VAL 48 HG11 VAL 48 4.283 -13.194 7.511 252 HG12 VAL 48 HG12 VAL 48 3.966 -14.845 8.054 253 HG13 VAL 48 HG13 VAL 48 5.089 -13.822 8.951 254 HG21 VAL 48 HG21 VAL 48 3.258 -11.245 8.873 255 HG22 VAL 48 HG22 VAL 48 4.292 -11.873 10.158 256 HG23 VAL 48 HG23 VAL 48 2.566 -11.633 10.448 257 H GLY 49 H GLY 49 1.925 -15.468 7.069 258 HA2 GLY 49 HA3 GLY 49 1.465 -17.691 8.057 259 HA3 GLY 49 HA2 GLY 49 0.054 -16.955 8.805 260 H MET 50 H MET 50 -0.730 -15.408 6.488 261 HA MET 50 HA MET 50 -1.974 -17.569 5.025 262 HB2 MET 50 HB2 MET 50 -3.139 -15.652 3.784 263 HB3 MET 50 HB3 MET 50 -3.573 -15.953 5.452 264 HG2 MET 50 HG2 MET 50 -2.312 -14.057 6.177 265 HG3 MET 50 HG3 MET 50 -1.635 -13.834 4.568 266 HE1 MET 50 HE1 MET 50 -3.710 -10.794 4.089 267 HE2 MET 50 HE2 MET 50 -2.132 -11.533 4.377 268 HE3 MET 50 HE3 MET 50 -3.163 -11.093 5.741 269 H THR 51 H THR 51 -2.230 -17.307 2.629 270 HA THR 51 HA THR 51 0.439 -17.473 1.578 271 HB THR 51 HB THR 51 -0.508 -18.565 -0.289 272 HG1 THR 51 HG1 THR 51 -3.066 -18.459 -0.164 273 HG21 THR 51 HG21 THR 51 -0.877 -19.560 2.104 274 HG22 THR 51 HG22 THR 51 -1.582 -20.331 0.682 275 HG23 THR 51 HG23 THR 51 -2.578 -19.295 1.711 276 H GLN 52 H GLN 52 0.352 -16.861 -0.956 277 HA GLN 52 HA GLN 52 0.463 -14.047 -1.102 278 HB2 GLN 52 HB2 GLN 52 0.554 -16.216 -3.187 279 HB3 GLN 52 HB3 GLN 52 0.692 -14.513 -3.582 280 HG2 GLN 52 HG2 GLN 52 2.673 -14.361 -2.122 281 HG3 GLN 52 HG3 GLN 52 2.540 -16.091 -1.813 282 HE21 GLN 52 HE21 GLN 52 4.672 -14.512 -3.049 283 HE22 GLN 52 HE22 GLN 52 4.933 -15.203 -4.611 284 H GLN 53 H GLN 53 -1.921 -16.454 -2.150 285 HA GLN 53 HA GLN 53 -3.428 -14.599 -3.700 286 HB2 GLN 53 HB2 GLN 53 -5.168 -16.271 -3.762 287 HB3 GLN 53 HB3 GLN 53 -3.616 -17.031 -4.044 288 HG2 GLN 53 HG2 GLN 53 -4.207 -18.518 -2.522 289 HG3 GLN 53 HG3 GLN 53 -3.990 -17.248 -1.320 290 HE21 GLN 53 HE21 GLN 53 -6.296 -15.709 -2.325 291 HE22 GLN 53 HE22 GLN 53 -7.695 -16.562 -1.775 292 H GLN 54 H GLN 54 -3.421 -15.607 -0.408 293 HA GLN 54 HA GLN 54 -5.775 -14.401 0.494 294 HB2 GLN 54 HB2 GLN 54 -3.183 -14.626 2.004 295 HB3 GLN 54 HB3 GLN 54 -4.795 -14.484 2.694 296 HG2 GLN 54 HG2 GLN 54 -4.153 -16.708 0.872 297 HG3 GLN 54 HG3 GLN 54 -3.623 -16.790 2.553 298 HE21 GLN 54 HE21 GLN 54 -4.898 -18.390 3.226 299 HE22 GLN 54 HE22 GLN 54 -6.634 -18.312 3.268 300 H VAL 55 H VAL 55 -2.446 -13.192 0.593 301 HA VAL 55 HA VAL 55 -3.139 -10.627 1.539 302 HB VAL 55 HB VAL 55 -0.648 -11.571 0.128 303 HG11 VAL 55 HG11 VAL 55 -1.038 -9.041 1.698 304 HG12 VAL 55 HG12 VAL 55 -1.043 -9.114 -0.063 305 HG13 VAL 55 HG13 VAL 55 0.419 -9.545 0.836 306 HG21 VAL 55 HG21 VAL 55 -1.018 -10.922 3.019 307 HG22 VAL 55 HG22 VAL 55 0.289 -11.836 2.254 308 HG23 VAL 55 HG23 VAL 55 -1.329 -12.543 2.374 309 H ALA 56 H ALA 56 -2.562 -11.855 -1.743 310 HA ALA 56 HA ALA 56 -2.687 -9.405 -3.090 311 HB1 ALA 56 HB1 ALA 56 -2.018 -11.138 -4.454 312 HB2 ALA 56 HB2 ALA 56 -3.681 -10.892 -4.983 313 HB3 ALA 56 HB3 ALA 56 -3.290 -12.217 -3.887 314 H TYR 57 H TYR 57 -5.183 -11.498 -1.853 315 HA TYR 57 HA TYR 57 -7.305 -10.022 -3.111 316 HB2 TYR 57 HB2 TYR 57 -7.083 -12.419 -1.377 317 HB3 TYR 57 HB3 TYR 57 -8.635 -11.586 -1.462 318 HD1 TYR 57 HD2 TYR 57 -6.201 -11.795 -4.256 319 HD2 TYR 57 HD1 TYR 57 -9.858 -13.286 -2.630 320 HE1 TYR 57 HE2 TYR 57 -6.710 -12.881 -6.386 321 HE2 TYR 57 HE1 TYR 57 -10.365 -14.378 -4.776 322 HH TYR 57 HH TYR 57 -8.050 -14.711 -7.273 323 H ALA 58 H ALA 58 -5.841 -10.229 0.080 324 HA ALA 58 HA ALA 58 -7.757 -8.588 1.414 325 HB1 ALA 58 HB1 ALA 58 -4.908 -9.122 2.253 326 HB2 ALA 58 HB2 ALA 58 -6.249 -10.249 2.512 327 HB3 ALA 58 HB3 ALA 58 -6.276 -8.663 3.277 328 H LEU 59 H LEU 59 -4.588 -8.089 0.020 329 HA LEU 59 HA LEU 59 -4.518 -5.297 0.801 330 HB2 LEU 59 HB2 LEU 59 -2.642 -7.381 0.347 331 HB3 LEU 59 HB3 LEU 59 -2.290 -6.107 -0.798 332 HG LEU 59 HG LEU 59 -1.763 -4.578 0.872 333 HD11 LEU 59 HD11 LEU 59 -3.335 -6.387 2.672 334 HD12 LEU 59 HD12 LEU 59 -3.653 -4.685 2.264 335 HD13 LEU 59 HD13 LEU 59 -2.280 -5.111 3.295 336 HD21 LEU 59 HD21 LEU 59 -0.969 -7.291 1.873 337 HD22 LEU 59 HD22 LEU 59 -0.235 -5.768 2.380 338 HD23 LEU 59 HD23 LEU 59 -0.085 -6.307 0.705 339 H GLY 60 H GLY 60 -4.142 -7.190 -2.166 340 HA2 GLY 60 HA3 GLY 60 -5.613 -6.228 -4.033 341 HA3 GLY 60 HA2 GLY 60 -4.690 -4.759 -3.724 342 H THR 61 H THR 61 -4.901 -7.062 -5.909 343 HA THR 61 HA THR 61 -2.273 -8.056 -6.111 344 HB THR 61 HB THR 61 -2.856 -8.561 -8.481 345 HG1 THR 61 HG1 THR 61 -5.299 -7.272 -7.727 346 HG21 THR 61 HG21 THR 61 -3.389 -10.007 -6.464 347 HG22 THR 61 HG22 THR 61 -4.340 -10.319 -7.919 348 HG23 THR 61 HG23 THR 61 -5.042 -9.399 -6.588 349 HA PRO 62 HA PRO 62 -0.144 -4.418 -7.072 350 HB2 PRO 62 HB2 PRO 62 2.003 -6.113 -8.083 351 HB3 PRO 62 HB3 PRO 62 1.973 -5.084 -6.654 352 HG2 PRO 62 HG2 PRO 62 1.962 -7.771 -6.469 353 HG3 PRO 62 HG3 PRO 62 1.096 -6.741 -5.313 354 HD2 PRO 62 HD2 PRO 62 0.023 -8.273 -7.654 355 HD3 PRO 62 HD3 PRO 62 -0.649 -8.097 -6.021 356 H LEU 63 H LEU 63 1.042 -3.339 -8.746 357 HA LEU 63 HA LEU 63 -0.518 -3.051 -11.022 358 HB2 LEU 63 HB2 LEU 63 2.334 -2.144 -10.850 359 HB3 LEU 63 HB3 LEU 63 0.981 -1.351 -11.636 360 HG LEU 63 HG LEU 63 0.738 -1.700 -8.713 361 HD11 LEU 63 HD11 LEU 63 3.126 -1.171 -9.038 362 HD12 LEU 63 HD12 LEU 63 2.240 0.101 -8.189 363 HD13 LEU 63 HD13 LEU 63 2.656 0.302 -9.893 364 HD21 LEU 63 HD21 LEU 63 -0.943 -0.532 -10.052 365 HD22 LEU 63 HD22 LEU 63 0.281 0.622 -10.589 366 HD23 LEU 63 HD23 LEU 63 -0.181 0.552 -8.887 367 H MET 64 H MET 64 2.332 -4.944 -10.456 368 HA MET 64 HA MET 64 3.033 -5.454 -13.144 369 HB2 MET 64 HB2 MET 64 4.184 -7.492 -12.160 370 HB3 MET 64 HB3 MET 64 4.688 -5.926 -11.551 371 HG2 MET 64 HG2 MET 64 3.097 -6.319 -9.620 372 HG3 MET 64 HG3 MET 64 2.979 -7.990 -10.179 373 HE1 MET 64 HE1 MET 64 4.789 -9.020 -7.477 374 HE2 MET 64 HE2 MET 64 3.393 -7.960 -7.725 375 HE3 MET 64 HE3 MET 64 4.841 -7.343 -6.922 376 H SER 65 H SER 65 0.287 -6.293 -11.507 377 HA SER 65 HA SER 65 -1.584 -7.292 -12.272 378 HB2 SER 65 HB2 SER 65 -0.724 -6.529 -14.519 379 HB3 SER 65 HB3 SER 65 -0.061 -8.148 -14.733 380 HG SER 65 HG SER 65 -2.024 -8.945 -15.006 381 H ASP 66 H ASP 66 1.050 -8.860 -11.305 382 HA ASP 66 HA ASP 66 -0.484 -11.195 -10.700 383 HB2 ASP 66 HB2 ASP 66 0.296 -11.991 -12.793 384 HB3 ASP 66 HB3 ASP 66 1.943 -11.447 -12.473 385 HA PRO 67 HA PRO 67 2.151 -10.319 -7.207 386 HB2 PRO 67 HB2 PRO 67 0.571 -11.656 -5.452 387 HB3 PRO 67 HB3 PRO 67 0.197 -10.026 -6.017 388 HG2 PRO 67 HG2 PRO 67 -0.919 -12.655 -6.944 389 HG3 PRO 67 HG3 PRO 67 -1.780 -11.135 -6.618 390 HD2 PRO 67 HD2 PRO 67 -1.089 -11.927 -9.140 391 HD3 PRO 67 HD3 PRO 67 -1.178 -10.222 -8.654 392 H PHE 68 H PHE 68 0.967 -13.393 -8.431 393 HA PHE 68 HA PHE 68 2.351 -15.012 -6.529 394 HB2 PHE 68 HB2 PHE 68 1.143 -15.879 -9.154 395 HB3 PHE 68 HB3 PHE 68 1.435 -16.861 -7.731 396 HD1 PHE 68 HD2 PHE 68 0.345 -15.343 -5.560 397 HD2 PHE 68 HD1 PHE 68 -1.121 -15.778 -9.528 398 HE1 PHE 68 HE2 PHE 68 -1.936 -14.869 -4.766 399 HE2 PHE 68 HE1 PHE 68 -3.400 -15.298 -8.743 400 HZ PHE 68 HZ PHE 68 -3.810 -14.846 -6.359 401 H GLY 69 H GLY 69 3.508 -13.273 -9.085 402 HA2 GLY 69 HA3 GLY 69 5.202 -15.366 -10.200 403 HA3 GLY 69 HA2 GLY 69 5.083 -13.708 -10.774 404 H THR 70 H THR 70 5.383 -13.003 -7.772 405 HA THR 70 HA THR 70 8.319 -13.223 -7.746 406 HB THR 70 HB THR 70 7.429 -10.945 -8.436 407 HG1 THR 70 HG1 THR 70 9.512 -11.107 -7.578 408 HG21 THR 70 HG21 THR 70 5.495 -10.905 -6.932 409 HG22 THR 70 HG22 THR 70 6.546 -9.502 -6.688 410 HG23 THR 70 HG23 THR 70 6.592 -10.846 -5.544 411 H ASN 71 H ASN 71 9.148 -12.512 -5.469 412 HA ASN 71 HA ASN 71 7.417 -13.748 -3.423 413 HB2 ASN 71 HB2 ASN 71 10.428 -13.866 -3.679 414 HB3 ASN 71 HB3 ASN 71 9.552 -14.369 -2.242 415 HD21 ASN 71 HD21 ASN 71 7.334 -15.438 -3.897 416 HD22 ASN 71 HD22 ASN 71 7.922 -16.948 -4.511 417 H THR 72 H THR 72 8.459 -10.884 -4.444 418 HA THR 72 HA THR 72 8.556 -9.777 -1.728 419 HB THR 72 HB THR 72 10.247 -8.792 -4.025 420 HG1 THR 72 HG1 THR 72 10.778 -10.632 -1.931 421 HG21 THR 72 HG21 THR 72 9.608 -7.176 -2.260 422 HG22 THR 72 HG22 THR 72 11.345 -7.467 -2.360 423 HG23 THR 72 HG23 THR 72 10.394 -8.217 -1.077 424 H TRP 73 H TRP 73 6.796 -8.553 -1.529 425 HA TRP 73 HA TRP 73 5.733 -7.180 -3.907 426 HB2 TRP 73 HB2 TRP 73 4.388 -7.951 -1.308 427 HB3 TRP 73 HB3 TRP 73 3.606 -7.057 -2.603 428 HD1 TRP 73 HD TRP 73 5.613 -9.467 -4.376 429 HE1 TRP 73 HE1 TRP 73 4.278 -11.581 -4.986 430 HE3 TRP 73 HE3 TRP 73 1.599 -8.814 -1.293 431 HZ2 TRP 73 HZ2 TRP 73 1.864 -12.806 -4.248 432 HZ3 TRP 73 HZ3 TRP 73 -0.181 -10.502 -1.314 433 HH2 TRP 73 HH TRP 73 -0.051 -12.458 -2.762 434 H PHE 74 H PHE 74 5.501 -4.973 -3.931 435 HA PHE 74 HA PHE 74 6.493 -3.555 -1.539 436 HB2 PHE 74 HB2 PHE 74 6.536 -2.441 -4.340 437 HB3 PHE 74 HB3 PHE 74 7.415 -1.859 -2.925 438 HD1 PHE 74 HD2 PHE 74 9.074 -3.669 -1.888 439 HD2 PHE 74 HD1 PHE 74 7.673 -3.646 -5.907 440 HE1 PHE 74 HE2 PHE 74 11.012 -5.027 -2.575 441 HE2 PHE 74 HE1 PHE 74 9.604 -4.998 -6.595 442 HZ PHE 74 HZ PHE 74 11.277 -5.689 -4.927 443 H TYR 75 H TYR 75 5.127 -2.277 -0.536 444 HA TYR 75 HA TYR 75 2.951 -0.994 -2.054 445 HB2 TYR 75 HB2 TYR 75 2.713 -2.068 0.758 446 HB3 TYR 75 HB3 TYR 75 1.445 -1.302 -0.167 447 HD1 TYR 75 HD1 TYR 75 0.767 -2.496 -2.391 448 HD2 TYR 75 HD2 TYR 75 2.889 -4.319 0.789 449 HE1 TYR 75 HE1 TYR 75 0.044 -4.702 -3.193 450 HE2 TYR 75 HE2 TYR 75 2.187 -6.544 0.012 451 HH TYR 75 HH TYR 75 0.696 -7.003 -3.045 452 H VAL 76 H VAL 76 1.999 0.849 -0.535 453 HA VAL 76 HA VAL 76 4.259 2.157 0.831 454 HB VAL 76 HB VAL 76 2.305 3.826 -0.716 455 HG11 VAL 76 HG11 VAL 76 4.282 5.323 -0.922 456 HG12 VAL 76 HG12 VAL 76 5.202 4.179 0.054 457 HG13 VAL 76 HG13 VAL 76 3.808 5.009 0.742 458 HG21 VAL 76 HG21 VAL 76 4.723 2.508 -1.942 459 HG22 VAL 76 HG22 VAL 76 3.775 3.797 -2.686 460 HG23 VAL 76 HG23 VAL 76 3.036 2.225 -2.375 461 H PHE 77 H PHE 77 3.255 4.188 2.039 462 HA PHE 77 HA PHE 77 0.848 3.260 3.424 463 HB2 PHE 77 HB2 PHE 77 3.124 5.060 4.188 464 HB3 PHE 77 HB3 PHE 77 1.581 5.197 5.023 465 HD1 PHE 77 HD2 PHE 77 1.987 1.858 4.035 466 HD2 PHE 77 HD1 PHE 77 3.336 4.686 6.916 467 HE1 PHE 77 HE2 PHE 77 2.580 0.031 5.550 468 HE2 PHE 77 HE1 PHE 77 3.952 2.849 8.431 469 HZ PHE 77 HZ PHE 77 3.571 0.514 7.747 470 H ARG 78 H ARG 78 -0.612 5.117 4.218 471 HA ARG 78 HA ARG 78 -1.575 6.723 2.155 472 HB2 ARG 78 HB2 ARG 78 -1.831 6.786 5.123 473 HB3 ARG 78 HB1 ARG 78 -2.317 8.214 4.233 474 HG2 ARG 78 HG2 ARG 78 -3.799 6.740 2.857 475 HG3 ARG 78 HG1 ARG 78 -3.438 5.442 4.001 476 HD2 ARG 78 HD2 ARG 78 -4.307 6.832 5.832 477 HD3 ARG 78 HD1 ARG 78 -4.692 8.108 4.677 478 HE ARG 78 HE ARG 78 -6.027 5.966 3.688 479 HH11 ARG 78 HH11 ARG 78 -5.974 7.615 6.774 480 HH12 ARG 78 HH12 ARG 78 -7.543 7.045 7.263 481 HH21 ARG 78 HH21 ARG 78 -8.106 5.207 4.312 482 HH22 ARG 78 HH22 ARG 78 -8.752 5.666 5.866 483 H GLN 79 H GLN 79 -1.280 8.869 1.619 484 HA GLN 79 HA GLN 79 1.199 9.973 1.511 485 HB2 GLN 79 HB2 GLN 79 -0.800 10.705 0.242 486 HB3 GLN 79 HB3 GLN 79 -1.377 11.498 1.693 487 HG2 GLN 79 HG2 GLN 79 0.541 12.990 1.665 488 HG3 GLN 79 HG3 GLN 79 1.150 12.181 0.219 489 HE21 GLN 79 HE21 GLN 79 0.410 14.966 0.562 490 HE22 GLN 79 HE22 GLN 79 -0.837 15.284 -0.598 491 H GLN 80 H GLN 80 2.517 10.295 3.208 492 HA GLN 80 HA GLN 80 1.457 11.030 5.795 493 HB2 GLN 80 HB2 GLN 80 4.342 10.728 5.029 494 HB3 GLN 80 HB3 GLN 80 3.650 10.653 6.629 495 HG2 GLN 80 HG2 GLN 80 2.436 8.584 5.907 496 HG3 GLN 80 HG3 GLN 80 3.393 8.631 4.429 497 HE21 GLN 80 HE21 GLN 80 3.292 6.656 6.598 498 HE22 GLN 80 HE22 GLN 80 4.923 6.506 7.166 499 HA PRO 81 HA PRO 81 2.429 15.330 5.562 500 HB2 PRO 81 HB2 PRO 81 2.672 15.402 8.431 501 HB3 PRO 81 HB3 PRO 81 1.331 15.965 7.436 502 HG2 PRO 81 HG2 PRO 81 1.167 13.817 9.128 503 HG3 PRO 81 HG3 PRO 81 0.160 14.016 7.683 504 HD2 PRO 81 HD2 PRO 81 2.614 12.338 8.056 505 HD3 PRO 81 HD3 PRO 81 1.132 11.969 7.162 506 H GLY 82 H GLY 82 4.525 15.006 4.655 507 HA2 GLY 82 HA3 GLY 82 6.720 15.134 6.627 508 HA3 GLY 82 HA2 GLY 82 6.880 14.369 5.043 509 H HIS 83 H HIS 83 8.601 16.402 5.958 510 HA HIS 83 HA HIS 83 7.787 18.737 4.386 511 HB2 HIS 83 HB2 HIS 83 10.135 18.282 6.236 512 HB3 HIS 83 HB1 HIS 83 9.931 19.737 5.268 513 HD1 HIS 83 HD1 HIS 83 6.995 20.370 5.714 514 HD2 HIS 83 HD2 HIS 83 9.547 19.099 8.747 515 HE1 HIS 83 HE1 HIS 83 5.965 21.188 7.860 516 HE2 HIS 83 HE2 HIS 83 7.634 20.594 9.649 517 H GLU 84 H GLU 84 8.945 15.884 3.713 518 HA GLU 84 HA GLU 84 10.875 16.817 1.697 519 HB2 GLU 84 HB2 GLU 84 10.752 14.116 3.047 520 HB3 GLU 84 HB3 GLU 84 11.947 14.631 1.868 521 HG2 GLU 84 HG2 GLU 84 13.012 16.034 3.362 522 HG3 GLU 84 HG3 GLU 84 11.601 16.142 4.415 523 H GLY 85 H GLY 85 10.829 15.583 -0.341 524 HA2 GLY 85 HA3 GLY 85 8.270 15.170 -1.373 525 HA3 GLY 85 HA2 GLY 85 9.750 14.530 -2.077 526 H VAL 86 H VAL 86 10.652 12.676 -0.464 527 HA VAL 86 HA VAL 86 8.363 10.917 0.116 528 HB VAL 86 HB VAL 86 11.017 9.894 -0.773 529 HG11 VAL 86 HG11 VAL 86 8.322 8.577 -0.637 530 HG12 VAL 86 HG12 VAL 86 9.635 8.362 0.520 531 HG13 VAL 86 HG13 VAL 86 9.828 7.812 -1.145 532 HG21 VAL 86 HG21 VAL 86 8.578 10.423 -2.447 533 HG22 VAL 86 HG22 VAL 86 9.947 9.443 -2.977 534 HG23 VAL 86 HG23 VAL 86 10.169 11.161 -2.635 535 H THR 87 H THR 87 8.256 10.392 2.107 536 HA THR 87 HA THR 87 10.636 9.708 3.644 537 HB THR 87 HB THR 87 10.087 12.073 4.197 538 HG1 THR 87 HG1 THR 87 9.808 10.041 6.153 539 HG21 THR 87 HG21 THR 87 7.700 12.007 3.775 540 HG22 THR 87 HG22 THR 87 8.002 12.549 5.427 541 HG23 THR 87 HG23 THR 87 7.468 10.893 5.122 542 H GLN 88 H GLN 88 7.969 8.679 2.365 543 HA GLN 88 HA GLN 88 6.304 7.693 4.381 544 HB2 GLN 88 HB2 GLN 88 6.761 6.764 1.550 545 HB3 GLN 88 HB3 GLN 88 5.423 6.280 2.558 546 HG2 GLN 88 HG2 GLN 88 5.047 8.886 2.716 547 HG3 GLN 88 HG3 GLN 88 5.934 8.831 1.198 548 HE21 GLN 88 HE21 GLN 88 3.077 7.857 2.841 549 HE22 GLN 88 HE22 GLN 88 2.171 7.439 1.435 550 H GLN 89 H GLN 89 5.853 5.361 4.665 551 HA GLN 89 HA GLN 89 8.277 3.729 4.625 552 HB2 GLN 89 HB2 GLN 89 5.804 3.505 6.348 553 HB3 GLN 89 HB3 GLN 89 7.102 2.320 6.324 554 HG2 GLN 89 HG2 GLN 89 8.671 4.033 7.088 555 HG3 GLN 89 HG3 GLN 89 7.356 5.202 7.138 556 HE21 GLN 89 HE21 GLN 89 8.699 2.340 8.605 557 HE22 GLN 89 HE22 GLN 89 7.791 2.423 10.074 558 H THR 90 H THR 90 8.303 1.992 3.353 559 HA THR 90 HA THR 90 5.871 1.327 1.882 560 HB THR 90 HB THR 90 7.559 0.039 0.433 561 HG1 THR 90 HG1 THR 90 9.261 0.365 2.130 562 HG21 THR 90 HG21 THR 90 6.511 2.503 0.257 563 HG22 THR 90 HG22 THR 90 7.551 1.789 -0.978 564 HG23 THR 90 HG23 THR 90 8.229 2.896 0.223 565 H LEU 91 H LEU 91 5.053 -0.715 1.826 566 HA LEU 91 HA LEU 91 6.019 -2.557 3.871 567 HB2 LEU 91 HB2 LEU 91 3.555 -2.049 3.614 568 HB3 LEU 91 HB3 LEU 91 3.622 -2.871 2.064 569 HG LEU 91 HG LEU 91 4.482 -4.908 3.332 570 HD11 LEU 91 HD11 LEU 91 3.488 -4.823 5.736 571 HD12 LEU 91 HD12 LEU 91 3.758 -3.080 5.569 572 HD13 LEU 91 HD13 LEU 91 5.114 -4.200 5.418 573 HD21 LEU 91 HD21 LEU 91 2.257 -5.596 4.095 574 HD22 LEU 91 HD22 LEU 91 2.245 -4.897 2.465 575 HD23 LEU 91 HD23 LEU 91 1.679 -3.942 3.838 576 H THR 92 H THR 92 7.448 -4.063 3.337 577 HA THR 92 HA THR 92 7.470 -5.040 0.554 578 HB THR 92 HB THR 92 9.688 -5.112 2.614 579 HG1 THR 92 HG1 THR 92 8.989 -3.051 1.413 580 HG21 THR 92 HG21 THR 92 9.764 -7.006 1.058 581 HG22 THR 92 HG22 THR 92 11.097 -5.885 0.774 582 HG23 THR 92 HG23 THR 92 9.700 -5.886 -0.305 583 H LEU 93 H LEU 93 6.323 -6.876 0.459 584 HA LEU 93 HA LEU 93 6.130 -8.474 2.884 585 HB2 LEU 93 HB2 LEU 93 4.177 -7.763 1.194 586 HB3 LEU 93 HB3 LEU 93 4.644 -9.287 0.452 587 HG LEU 93 HG LEU 93 4.253 -10.391 2.597 588 HD11 LEU 93 HD11 LEU 93 2.938 -8.886 4.220 589 HD12 LEU 93 HD12 LEU 93 3.752 -7.561 3.403 590 HD13 LEU 93 HD13 LEU 93 4.691 -8.813 4.221 591 HD21 LEU 93 HD21 LEU 93 1.745 -9.631 2.693 592 HD22 LEU 93 HD22 LEU 93 2.371 -10.580 1.352 593 HD23 LEU 93 HD23 LEU 93 2.167 -8.832 1.182 594 H THR 94 H THR 94 7.235 -10.269 3.203 595 HA THR 94 HA THR 94 8.798 -11.344 1.002 596 HB THR 94 HB THR 94 9.107 -11.446 4.000 597 HG1 THR 94 HG1 THR 94 10.606 -10.232 1.900 598 HG21 THR 94 HG21 THR 94 9.740 -13.557 3.023 599 HG22 THR 94 HG22 THR 94 11.158 -12.692 3.620 600 HG23 THR 94 HG23 THR 94 10.811 -12.743 1.887 601 H PHE 95 H PHE 95 8.227 -13.206 0.169 602 HA PHE 95 HA PHE 95 6.539 -15.052 1.732 603 HB2 PHE 95 HB2 PHE 95 6.557 -14.415 -1.213 604 HB3 PHE 95 HB3 PHE 95 5.807 -15.870 -0.575 605 HD1 PHE 95 HD2 PHE 95 3.893 -15.696 0.916 606 HD2 PHE 95 HD1 PHE 95 5.505 -12.292 -1.024 607 HE1 PHE 95 HE2 PHE 95 1.816 -14.478 1.375 608 HE2 PHE 95 HE1 PHE 95 3.430 -11.055 -0.573 609 HZ PHE 95 HZ PHE 95 1.588 -12.159 0.632 610 H ASN 96 H ASN 96 7.139 -17.130 1.882 611 HA ASN 96 HA ASN 96 9.753 -17.916 0.994 612 HB2 ASN 96 HB2 ASN 96 9.237 -20.089 2.052 613 HB3 ASN 96 HB3 ASN 96 8.937 -18.738 3.121 614 HD21 ASN 96 HD21 ASN 96 7.585 -19.901 4.414 615 HD22 ASN 96 HD22 ASN 96 5.993 -20.355 3.928 616 H SER 97 H SER 97 9.569 -20.498 0.197 617 HA SER 97 HA SER 97 9.395 -20.264 -2.525 618 HB2 SER 97 HB2 SER 97 9.033 -22.797 -0.923 619 HB3 SER 97 HB3 SER 97 9.579 -22.684 -2.598 620 HG SER 97 HG SER 97 11.418 -22.817 -1.438 621 H SER 98 H SER 98 6.837 -21.488 -0.345 622 HA SER 98 HA SER 98 5.216 -22.296 -2.597 623 HB2 SER 98 HB2 SER 98 5.166 -23.554 -0.471 624 HB3 SER 98 HB3 SER 98 4.502 -22.138 0.342 625 HG SER 98 HG SER 98 2.973 -22.583 -1.757 626 H GLY 99 H GLY 99 5.741 -19.412 -0.909 627 HA2 GLY 99 HA3 GLY 99 4.783 -17.346 -1.563 628 HA3 GLY 99 HA2 GLY 99 3.387 -18.219 -2.185 629 H VAL 100 H VAL 100 4.784 -18.941 0.885 630 HA VAL 100 HA VAL 100 2.346 -18.025 2.225 631 HB VAL 100 HB VAL 100 4.591 -19.648 3.405 632 HG11 VAL 100 HG11 VAL 100 2.835 -18.454 4.830 633 HG12 VAL 100 HG12 VAL 100 3.107 -20.168 5.139 634 HG13 VAL 100 HG13 VAL 100 1.700 -19.652 4.208 635 HG21 VAL 100 HG21 VAL 100 2.141 -20.615 1.946 636 HG22 VAL 100 HG22 VAL 100 3.162 -21.638 2.958 637 HG23 VAL 100 HG23 VAL 100 3.829 -20.892 1.504 638 H LEU 101 H LEU 101 2.382 -16.343 3.645 639 HA LEU 101 HA LEU 101 4.474 -14.505 3.615 640 HB2 LEU 101 HB2 LEU 101 1.940 -14.827 5.035 641 HB3 LEU 101 HB3 LEU 101 3.149 -13.897 5.904 642 HG LEU 101 HG LEU 101 2.108 -13.330 3.149 643 HD11 LEU 101 HD11 LEU 101 1.854 -11.825 5.735 644 HD12 LEU 101 HD12 LEU 101 0.567 -12.743 4.955 645 HD13 LEU 101 HD13 LEU 101 1.223 -11.301 4.174 646 HD21 LEU 101 HD21 LEU 101 4.095 -11.764 4.744 647 HD22 LEU 101 HD22 LEU 101 3.552 -11.438 3.105 648 HD23 LEU 101 HD23 LEU 101 4.526 -12.870 3.446 649 H THR 102 H THR 102 6.315 -14.443 4.569 650 HA THR 102 HA THR 102 6.682 -15.977 7.052 651 HB THR 102 HB THR 102 8.942 -16.329 6.530 652 HG1 THR 102 HG1 THR 102 10.030 -14.739 5.657 653 HG21 THR 102 HG21 THR 102 7.263 -17.478 5.016 654 HG22 THR 102 HG22 THR 102 8.925 -17.403 4.422 655 HG23 THR 102 HG23 THR 102 7.708 -16.289 3.793 656 H ASN 103 H ASN 103 7.328 -12.912 5.411 657 HA ASN 103 HA ASN 103 7.459 -11.645 8.053 658 HB2 ASN 103 HB2 ASN 103 9.811 -12.121 7.282 659 HB3 ASN 103 HB3 ASN 103 9.511 -11.035 5.933 660 HD21 ASN 103 HD21 ASN 103 11.069 -9.563 6.533 661 HD22 ASN 103 HD22 ASN 103 10.916 -8.559 7.931 662 H ILE 104 H ILE 104 6.855 -9.554 8.139 663 HA ILE 104 HA ILE 104 5.790 -8.310 5.680 664 HB ILE 104 HB ILE 104 5.093 -7.348 8.438 665 HG12 ILE 104 HG12 ILE 104 4.598 -9.788 8.430 666 HG13 ILE 104 HG13 ILE 104 3.172 -8.781 8.626 667 HG21 ILE 104 HG21 ILE 104 3.630 -7.258 5.794 668 HG22 ILE 104 HG22 ILE 104 4.457 -5.935 6.611 669 HG23 ILE 104 HG23 ILE 104 3.005 -6.639 7.322 670 HD11 ILE 104 HD11 ILE 104 2.701 -9.120 6.207 671 HD12 ILE 104 HD12 ILE 104 2.628 -10.582 7.193 672 HD13 ILE 104 HD13 ILE 104 4.036 -10.274 6.170 673 H ASP 105 H ASP 105 7.665 -7.175 5.024 674 HA ASP 105 HA ASP 105 9.258 -5.880 7.083 675 HB2 ASP 105 HB2 ASP 105 10.267 -7.099 5.119 676 HB3 ASP 105 HB3 ASP 105 9.707 -5.783 4.104 677 H ASN 106 H ASN 106 8.088 -4.205 7.842 678 HA ASN 106 HA ASN 106 7.288 -2.142 5.932 679 HB2 ASN 106 HB2 ASN 106 5.472 -2.746 7.342 680 HB3 ASN 106 HB3 ASN 106 6.459 -2.657 8.792 681 HD21 ASN 106 HD21 ASN 106 4.986 -1.233 9.727 682 HD22 ASN 106 HD22 ASN 106 4.895 0.426 9.249 683 H LYS 107 H LYS 107 8.864 -0.879 5.523 684 HA LYS 107 HA LYS 107 10.373 0.375 7.695 685 HB2 LYS 107 HB2 LYS 107 12.484 -0.069 6.657 686 HB3 LYS 107 HB1 LYS 107 11.629 -1.600 6.714 687 HG2 LYS 107 HG2 LYS 107 11.028 -1.420 4.402 688 HG3 LYS 107 HG1 LYS 107 11.738 0.192 4.335 689 HD2 LYS 107 HD2 LYS 107 13.941 -0.739 4.788 690 HD3 LYS 107 HD1 LYS 107 13.241 -2.357 4.908 691 HE2 LYS 107 HE2 LYS 107 12.543 -2.240 2.577 692 HE3 LYS 107 HE1 LYS 107 13.189 -0.604 2.453 693 HZ1 LYS 107 HZ1 LYS 107 14.728 -2.186 1.532 694 HZ2 LYS 107 HZ2 LYS 107 14.757 -3.069 2.980 695 HZ3 LYS 107 HZ3 LYS 107 15.397 -1.500 2.931 696 HA PRO 108 HA PRO 108 9.821 3.969 5.240 697 HB2 PRO 108 HB2 PRO 108 12.201 5.287 5.242 698 HB3 PRO 108 HB3 PRO 108 11.135 5.195 6.642 699 HG2 PRO 108 HG2 PRO 108 13.659 3.755 6.081 700 HG3 PRO 108 HG3 PRO 108 12.960 4.237 7.634 701 HD2 PRO 108 HD2 PRO 108 12.905 1.676 6.531 702 HD3 PRO 108 HD3 PRO 108 11.891 2.254 7.854 703 H ALA 109 H ALA 109 10.060 4.989 3.263 704 HA ALA 109 HA ALA 109 11.017 3.273 1.165 705 HB1 ALA 109 HB1 ALA 109 9.736 5.983 0.996 706 HB2 ALA 109 HB2 ALA 109 8.890 4.436 1.010 707 HB3 ALA 109 HB3 ALA 109 9.969 4.836 -0.329 708 H LEU 110 H LEU 110 11.894 4.571 -0.785 709 HA LEU 110 HA LEU 110 14.544 5.310 -0.280 710 HB2 LEU 110 HB2 LEU 110 12.971 6.187 -2.688 711 HB3 LEU 110 HB3 LEU 110 14.677 5.792 -2.585 712 HG LEU 110 HG LEU 110 12.443 3.775 -2.284 713 HD11 LEU 110 HD11 LEU 110 14.316 4.104 -4.612 714 HD12 LEU 110 HD12 LEU 110 12.716 4.849 -4.574 715 HD13 LEU 110 HD13 LEU 110 12.875 3.092 -4.509 716 HD21 LEU 110 HD21 LEU 110 14.606 3.256 -1.144 717 HD22 LEU 110 HD22 LEU 110 15.395 3.360 -2.723 718 HD23 LEU 110 HD23 LEU 110 14.174 2.124 -2.426 719 H SER 111 H SER 111 15.137 7.054 0.809 720 HA SER 111 HA SER 111 13.685 9.304 1.391 721 HB2 SER 111 HB2 SER 111 16.684 9.041 1.118 722 HB3 SER 111 HB3 SER 111 15.834 10.282 2.027 723 HG SER 111 HG SER 111 15.299 8.865 3.547 724 H GLY 112 H GLY 112 12.953 10.909 0.164 725 HA2 GLY 112 HA3 GLY 112 14.525 11.716 -2.176 726 HA3 GLY 112 HA2 GLY 112 12.790 11.480 -2.300 727 H ASN 113 H ASN 113 14.896 13.796 -2.316 728 HA ASN 113 HA ASN 113 13.967 15.571 -0.279 729 HB2 ASN 113 HB2 ASN 113 15.307 17.293 -1.529 730 HB3 ASN 113 HB3 ASN 113 16.218 15.874 -1.031 731 HD21 ASN 113 HD21 ASN 113 16.526 17.915 -3.218 732 HD22 ASN 113 HD22 ASN 113 16.754 16.969 -4.656 Start of MODEL 9 1 H1 GLY 17 H1 GLY 17 -23.293 16.784 -5.386 2 H2 GLY 17 H2 GLY 17 -22.409 17.955 -6.236 3 H3 GLY 17 H3 GLY 17 -24.089 18.122 -6.059 4 HA2 GLY 17 HA2 GLY 17 -23.854 18.404 -3.680 5 HA3 GLY 17 HA3 GLY 17 -22.116 18.187 -3.841 6 H SER 18 H SER 18 -24.718 20.371 -3.954 7 HA SER 18 HA SER 18 -24.902 22.606 -4.228 8 HB2 SER 18 HB2 SER 18 -23.001 22.693 -2.655 9 HB3 SER 18 HB3 SER 18 -21.877 22.590 -4.008 10 HG SER 18 HG SER 18 -23.627 24.594 -4.425 11 H HIS 19 H HIS 19 -21.787 22.719 -5.827 12 HA HIS 19 HA HIS 19 -23.083 23.515 -8.287 13 HB2 HIS 19 HB2 HIS 19 -20.696 23.774 -9.120 14 HB3 HIS 19 HB1 HIS 19 -21.168 24.819 -7.790 15 HD1 HIS 19 HD1 HIS 19 -19.891 24.623 -5.618 16 HD2 HIS 19 HD2 HIS 19 -18.812 21.732 -8.418 17 HE1 HIS 19 HE1 HIS 19 -17.809 23.541 -4.714 18 HE2 HIS 19 HE2 HIS 19 -17.219 21.741 -6.372 19 H MET 20 H MET 20 -23.669 22.144 -9.787 20 HA MET 20 HA MET 20 -23.065 19.368 -9.509 21 HB2 MET 20 HB2 MET 20 -24.485 19.110 -11.554 22 HB3 MET 20 HB3 MET 20 -25.272 19.922 -10.212 23 HG2 MET 20 HG2 MET 20 -24.834 22.087 -11.292 24 HG3 MET 20 HG3 MET 20 -24.113 21.237 -12.658 25 HE1 MET 20 HE1 MET 20 -28.538 20.774 -11.441 26 HE2 MET 20 HE2 MET 20 -27.419 21.849 -10.606 27 HE3 MET 20 HE3 MET 20 -27.184 20.103 -10.530 28 H SER 21 H SER 21 -21.147 18.660 -10.013 29 HA SER 21 HA SER 21 -19.833 19.640 -12.443 30 HB2 SER 21 HB2 SER 21 -17.816 18.454 -11.354 31 HB3 SER 21 HB3 SER 21 -18.392 19.944 -10.607 32 HG SER 21 HG SER 21 -18.400 17.369 -9.642 33 H THR 22 H THR 22 -21.864 17.286 -11.633 34 HA THR 22 HA THR 22 -22.443 15.267 -12.485 35 HB THR 22 HB THR 22 -20.315 15.620 -14.609 36 HG1 THR 22 HG1 THR 22 -22.860 16.895 -14.342 37 HG21 THR 22 HG21 THR 22 -21.585 13.506 -14.625 38 HG22 THR 22 HG22 THR 22 -21.976 14.492 -16.033 39 HG23 THR 22 HG23 THR 22 -23.095 14.414 -14.671 40 H LEU 23 H LEU 23 -20.658 13.310 -13.743 41 HA LEU 23 HA LEU 23 -19.288 11.605 -13.177 42 HB2 LEU 23 HB2 LEU 23 -17.704 13.653 -12.890 43 HB3 LEU 23 HB3 LEU 23 -17.905 13.375 -11.173 44 HG LEU 23 HG LEU 23 -15.826 12.389 -12.156 45 HD11 LEU 23 HD11 LEU 23 -16.677 11.512 -10.074 46 HD12 LEU 23 HD12 LEU 23 -16.035 10.198 -11.059 47 HD13 LEU 23 HD13 LEU 23 -17.778 10.443 -10.940 48 HD21 LEU 23 HD21 LEU 23 -17.764 10.534 -13.529 49 HD22 LEU 23 HD22 LEU 23 -16.009 10.361 -13.498 50 HD23 LEU 23 HD23 LEU 23 -16.747 11.738 -14.317 51 H GLU 24 H GLU 24 -20.828 10.336 -12.266 52 HA GLU 24 HA GLU 24 -21.932 10.653 -9.702 53 HB2 GLU 24 HB2 GLU 24 -21.631 8.139 -11.357 54 HB3 GLU 24 HB3 GLU 24 -22.672 8.312 -9.951 55 HG2 GLU 24 HG2 GLU 24 -23.965 10.026 -11.113 56 HG3 GLU 24 HG3 GLU 24 -22.923 9.851 -12.525 57 H ARG 25 H ARG 25 -21.503 9.670 -7.759 58 HA ARG 25 HA ARG 25 -18.797 9.320 -7.068 59 HB2 ARG 25 HB2 ARG 25 -20.577 10.081 -5.513 60 HB3 ARG 25 HB1 ARG 25 -21.264 8.464 -5.541 61 HG2 ARG 25 HG2 ARG 25 -20.007 8.739 -3.526 62 HG3 ARG 25 HG1 ARG 25 -19.155 7.602 -4.570 63 HD2 ARG 25 HD2 ARG 25 -18.440 10.489 -4.718 64 HD3 ARG 25 HD1 ARG 25 -17.887 9.554 -3.330 65 HE ARG 25 HE ARG 25 -16.905 8.001 -5.086 66 HH11 ARG 25 HH11 ARG 25 -17.363 11.417 -5.662 67 HH12 ARG 25 HH12 ARG 25 -15.976 11.565 -6.693 68 HH21 ARG 25 HH21 ARG 25 -15.046 8.178 -6.421 69 HH22 ARG 25 HH22 ARG 25 -14.655 9.719 -7.142 70 H VAL 26 H VAL 26 -17.693 7.706 -7.996 71 HA VAL 26 HA VAL 26 -18.750 5.077 -8.371 72 HB VAL 26 HB VAL 26 -16.964 6.205 -9.781 73 HG11 VAL 26 HG11 VAL 26 -14.634 5.930 -9.091 74 HG12 VAL 26 HG12 VAL 26 -15.178 5.385 -7.506 75 HG13 VAL 26 HG13 VAL 26 -15.525 7.029 -8.040 76 HG21 VAL 26 HG21 VAL 26 -17.505 3.872 -10.079 77 HG22 VAL 26 HG22 VAL 26 -16.410 3.421 -8.773 78 HG23 VAL 26 HG23 VAL 26 -15.768 4.117 -10.261 79 H VAL 27 H VAL 27 -16.580 3.445 -7.474 80 HA VAL 27 HA VAL 27 -17.624 2.631 -5.070 81 HB VAL 27 HB VAL 27 -15.940 1.465 -6.720 82 HG11 VAL 27 HG11 VAL 27 -14.054 2.940 -6.242 83 HG12 VAL 27 HG12 VAL 27 -13.689 1.268 -5.806 84 HG13 VAL 27 HG13 VAL 27 -14.094 2.440 -4.545 85 HG21 VAL 27 HG21 VAL 27 -16.008 0.921 -3.757 86 HG22 VAL 27 HG22 VAL 27 -15.468 -0.217 -4.991 87 HG23 VAL 27 HG23 VAL 27 -17.147 0.321 -4.964 88 H TYR 28 H TYR 28 -16.822 2.589 -2.950 89 HA TYR 28 HA TYR 28 -15.781 5.112 -2.045 90 HB2 TYR 28 HB2 TYR 28 -17.741 3.757 -1.088 91 HB3 TYR 28 HB3 TYR 28 -16.489 2.708 -0.436 92 HD1 TYR 28 HD2 TYR 28 -14.607 4.002 0.799 93 HD2 TYR 28 HD1 TYR 28 -18.564 5.400 0.339 94 HE1 TYR 28 HE2 TYR 28 -14.307 5.444 2.796 95 HE2 TYR 28 HE1 TYR 28 -18.306 6.853 2.311 96 HH TYR 28 HH TYR 28 -15.255 7.463 3.746 97 H ARG 29 H ARG 29 -13.633 5.404 -1.857 98 HA ARG 29 HA ARG 29 -11.879 3.090 -1.692 99 HB2 ARG 29 HB2 ARG 29 -10.106 4.498 -2.315 100 HB3 ARG 29 HB1 ARG 29 -11.472 5.119 -3.228 101 HG2 ARG 29 HG2 ARG 29 -10.693 6.306 -0.589 102 HG3 ARG 29 HG1 ARG 29 -9.909 6.791 -2.090 103 HD2 ARG 29 HD2 ARG 29 -12.890 6.864 -1.683 104 HD3 ARG 29 HD1 ARG 29 -11.835 8.235 -1.343 105 HE ARG 29 HE ARG 29 -11.830 7.028 -4.025 106 HH11 ARG 29 HH11 ARG 29 -12.498 9.754 -1.925 107 HH12 ARG 29 HH12 ARG 29 -12.667 10.880 -3.242 108 HH21 ARG 29 HH21 ARG 29 -12.076 8.510 -5.751 109 HH22 ARG 29 HH22 ARG 29 -12.454 10.177 -5.409 110 HA PRO 30 HA PRO 30 -10.620 3.221 2.606 111 HB2 PRO 30 HB2 PRO 30 -7.963 4.159 1.604 112 HB3 PRO 30 HB3 PRO 30 -8.345 2.878 2.753 113 HG2 PRO 30 HG2 PRO 30 -7.672 2.311 0.247 114 HG3 PRO 30 HG3 PRO 30 -8.893 1.370 1.117 115 HD2 PRO 30 HD2 PRO 30 -9.231 3.325 -1.061 116 HD3 PRO 30 HD3 PRO 30 -10.236 1.942 -0.612 117 H ASP 31 H ASP 31 -9.965 4.683 4.293 118 HA ASP 31 HA ASP 31 -10.914 7.346 3.840 119 HB2 ASP 31 HB2 ASP 31 -9.799 5.981 6.286 120 HB3 ASP 31 HB3 ASP 31 -10.458 7.608 6.293 121 H ILE 32 H ILE 32 -8.435 6.731 2.478 122 HA ILE 32 HA ILE 32 -6.363 8.194 3.853 123 HB ILE 32 HB ILE 32 -6.438 7.106 1.037 124 HG12 ILE 32 HG12 ILE 32 -6.712 5.411 2.817 125 HG13 ILE 32 HG13 ILE 32 -5.193 5.238 1.954 126 HG21 ILE 32 HG21 ILE 32 -3.927 7.214 1.347 127 HG22 ILE 32 HG22 ILE 32 -4.243 8.302 2.702 128 HG23 ILE 32 HG23 ILE 32 -4.759 8.747 1.070 129 HD11 ILE 32 HD11 ILE 32 -5.018 4.963 4.395 130 HD12 ILE 32 HD12 ILE 32 -5.477 6.650 4.585 131 HD13 ILE 32 HD13 ILE 32 -3.982 6.229 3.747 132 H ASN 33 H ASN 33 -5.486 10.119 3.218 133 HA ASN 33 HA ASN 33 -7.132 12.118 2.114 134 HB2 ASN 33 HB2 ASN 33 -5.109 13.515 2.237 135 HB3 ASN 33 HB3 ASN 33 -5.340 12.585 3.712 136 HD21 ASN 33 HD21 ASN 33 -2.967 13.784 2.456 137 HD22 ASN 33 HD22 ASN 33 -1.804 12.520 2.347 138 H GLN 34 H GLN 34 -4.688 10.004 0.770 139 HA GLN 34 HA GLN 34 -5.237 11.101 -1.896 140 HB2 GLN 34 HB2 GLN 34 -3.186 10.050 -2.652 141 HB3 GLN 34 HB3 GLN 34 -2.831 11.016 -1.233 142 HG2 GLN 34 HG2 GLN 34 -2.708 9.076 0.134 143 HG3 GLN 34 HG3 GLN 34 -3.297 8.054 -1.178 144 HE21 GLN 34 HE21 GLN 34 -0.844 7.944 0.364 145 HE22 GLN 34 HE22 GLN 34 0.448 7.998 -0.775 146 H GLY 35 H GLY 35 -4.941 9.136 -3.596 147 HA2 GLY 35 HA3 GLY 35 -5.955 6.640 -2.548 148 HA3 GLY 35 HA2 GLY 35 -7.090 7.513 -3.571 149 H ASN 36 H ASN 36 -3.860 6.081 -3.493 150 HA ASN 36 HA ASN 36 -4.092 5.633 -6.390 151 HB2 ASN 36 HB2 ASN 36 -2.521 7.467 -6.049 152 HB3 ASN 36 HB3 ASN 36 -1.604 6.501 -4.920 153 HD21 ASN 36 HD21 ASN 36 -2.220 7.219 -8.149 154 HD22 ASN 36 HD22 ASN 36 -1.009 6.196 -8.822 155 H TYR 37 H TYR 37 -2.029 4.734 -3.632 156 HA TYR 37 HA TYR 37 -2.096 1.974 -4.606 157 HB2 TYR 37 HB2 TYR 37 0.200 1.853 -3.451 158 HB3 TYR 37 HB3 TYR 37 0.107 2.690 -4.994 159 HD1 TYR 37 HD2 TYR 37 -0.445 3.618 -1.402 160 HD2 TYR 37 HD1 TYR 37 1.443 4.563 -5.092 161 HE1 TYR 37 HE2 TYR 37 0.534 5.621 -0.379 162 HE2 TYR 37 HE1 TYR 37 2.431 6.573 -4.074 163 HH TYR 37 HH TYR 37 2.310 7.985 -2.280 164 H LEU 38 H LEU 38 -0.942 0.683 -2.580 165 HA LEU 38 HA LEU 38 -2.935 0.666 -0.518 166 HB2 LEU 38 HB2 LEU 38 -1.798 -1.362 -1.422 167 HB3 LEU 38 HB3 LEU 38 -0.310 -0.821 -0.674 168 HG LEU 38 HG LEU 38 -2.118 -0.845 1.419 169 HD11 LEU 38 HD11 LEU 38 -3.830 -2.005 0.368 170 HD12 LEU 38 HD12 LEU 38 -2.930 -3.285 1.183 171 HD13 LEU 38 HD13 LEU 38 -2.717 -3.012 -0.549 172 HD21 LEU 38 HD21 LEU 38 -0.187 -2.987 0.553 173 HD22 LEU 38 HD22 LEU 38 -0.850 -2.787 2.176 174 HD23 LEU 38 HD23 LEU 38 0.210 -1.552 1.496 175 H THR 39 H THR 39 -2.514 1.014 1.736 176 HA THR 39 HA THR 39 -0.167 2.692 2.275 177 HB THR 39 HB THR 39 -1.441 4.163 3.657 178 HG1 THR 39 HG1 THR 39 -3.655 2.403 3.151 179 HG21 THR 39 HG21 THR 39 -1.626 4.179 1.033 180 HG22 THR 39 HG22 THR 39 -2.550 5.308 2.019 181 HG23 THR 39 HG23 THR 39 -3.324 3.859 1.375 182 H ALA 40 H ALA 40 -0.235 3.092 4.855 183 HA ALA 40 HA ALA 40 0.618 0.677 6.026 184 HB1 ALA 40 HB1 ALA 40 -0.200 3.247 7.381 185 HB2 ALA 40 HB2 ALA 40 1.410 2.872 6.762 186 HB3 ALA 40 HB3 ALA 40 0.743 1.948 8.108 187 H ASN 41 H ASN 41 -2.403 2.440 6.149 188 HA ASN 41 HA ASN 41 -3.688 1.103 8.244 189 HB2 ASN 41 HB2 ASN 41 -4.914 2.283 5.746 190 HB3 ASN 41 HB3 ASN 41 -5.746 1.964 7.246 191 HD21 ASN 41 HD21 ASN 41 -3.722 4.032 5.523 192 HD22 ASN 41 HD22 ASN 41 -3.625 5.291 6.702 193 H ASP 42 H ASP 42 -3.588 0.512 4.802 194 HA ASP 42 HA ASP 42 -5.299 -1.740 4.769 195 HB2 ASP 42 HB2 ASP 42 -3.123 -1.036 2.804 196 HB3 ASP 42 HB3 ASP 42 -4.504 -2.087 2.512 197 H VAL 43 H VAL 43 -1.867 -1.349 5.318 198 HA VAL 43 HA VAL 43 -1.060 -4.018 5.066 199 HB VAL 43 HB VAL 43 -0.010 -1.894 6.942 200 HG11 VAL 43 HG11 VAL 43 1.210 -4.515 6.125 201 HG12 VAL 43 HG12 VAL 43 0.546 -4.143 7.722 202 HG13 VAL 43 HG13 VAL 43 1.977 -3.286 7.139 203 HG21 VAL 43 HG21 VAL 43 1.319 -2.891 4.486 204 HG22 VAL 43 HG22 VAL 43 1.552 -1.358 5.324 205 HG23 VAL 43 HG23 VAL 43 0.089 -1.635 4.369 206 H SER 44 H SER 44 -2.570 -2.288 7.706 207 HA SER 44 HA SER 44 -2.414 -4.222 9.709 208 HB2 SER 44 HB2 SER 44 -3.052 -1.878 10.038 209 HB3 SER 44 HB3 SER 44 -4.600 -2.187 9.263 210 HG SER 44 HG SER 44 -3.749 -3.705 11.492 211 H LYS 45 H LYS 45 -4.290 -4.147 6.847 212 HA LYS 45 HA LYS 45 -6.430 -5.820 7.679 213 HB2 LYS 45 HB2 LYS 45 -5.348 -5.317 4.921 214 HB3 LYS 45 HB1 LYS 45 -6.880 -6.094 5.288 215 HG2 LYS 45 HG2 LYS 45 -7.728 -4.075 6.272 216 HG3 LYS 45 HG1 LYS 45 -6.166 -3.281 6.073 217 HD2 LYS 45 HD2 LYS 45 -7.677 -2.576 4.313 218 HD3 LYS 45 HD1 LYS 45 -6.380 -3.561 3.626 219 HE2 LYS 45 HE2 LYS 45 -7.959 -5.530 3.892 220 HE3 LYS 45 HE1 LYS 45 -9.228 -4.336 4.167 221 HZ1 LYS 45 HZ1 LYS 45 -7.618 -4.738 1.717 222 HZ2 LYS 45 HZ2 LYS 45 -8.511 -3.321 1.987 223 HZ3 LYS 45 HZ3 LYS 45 -9.305 -4.819 1.887 224 H ILE 46 H ILE 46 -3.307 -6.426 6.120 225 HA ILE 46 HA ILE 46 -3.852 -9.241 5.967 226 HB ILE 46 HB ILE 46 -1.591 -9.484 5.076 227 HG12 ILE 46 HG12 ILE 46 -1.389 -6.469 5.121 228 HG13 ILE 46 HG13 ILE 46 -0.596 -7.525 6.289 229 HG21 ILE 46 HG21 ILE 46 -2.025 -8.439 2.954 230 HG22 ILE 46 HG22 ILE 46 -3.214 -7.368 3.700 231 HG23 ILE 46 HG23 ILE 46 -3.503 -9.108 3.642 232 HD11 ILE 46 HD11 ILE 46 -0.191 -7.957 3.363 233 HD12 ILE 46 HD12 ILE 46 0.857 -8.389 4.723 234 HD13 ILE 46 HD13 ILE 46 0.723 -6.700 4.223 235 H ARG 47 H ARG 47 -1.702 -10.537 6.496 236 HA ARG 47 HA ARG 47 -0.452 -10.034 8.974 237 HB2 ARG 47 HB2 ARG 47 -1.657 -11.547 10.421 238 HB3 ARG 47 HB1 ARG 47 -2.815 -10.403 9.759 239 HG2 ARG 47 HG2 ARG 47 -2.388 -13.099 8.525 240 HG3 ARG 47 HG1 ARG 47 -3.494 -12.854 9.880 241 HD2 ARG 47 HD2 ARG 47 -3.624 -11.434 7.221 242 HD3 ARG 47 HD1 ARG 47 -4.635 -12.798 7.698 243 HE ARG 47 HE ARG 47 -4.782 -10.061 8.746 244 HH11 ARG 47 HH11 ARG 47 -6.016 -13.336 8.709 245 HH12 ARG 47 HH12 ARG 47 -7.588 -12.885 9.299 246 HH21 ARG 47 HH21 ARG 47 -6.840 -9.468 9.552 247 HH22 ARG 47 HH22 ARG 47 -8.044 -10.694 9.822 248 H VAL 48 H VAL 48 0.921 -11.723 9.580 249 HA VAL 48 HA VAL 48 1.892 -13.233 7.375 250 HB VAL 48 HB VAL 48 2.790 -13.860 10.119 251 HG11 VAL 48 HG11 VAL 48 4.228 -13.175 7.563 252 HG12 VAL 48 HG12 VAL 48 3.888 -14.806 8.149 253 HG13 VAL 48 HG13 VAL 48 4.986 -13.758 9.049 254 HG21 VAL 48 HG21 VAL 48 3.123 -11.173 8.828 255 HG22 VAL 48 HG22 VAL 48 4.164 -11.755 10.132 256 HG23 VAL 48 HG23 VAL 48 2.434 -11.527 10.412 257 H GLY 49 H GLY 49 1.894 -15.493 7.137 258 HA2 GLY 49 HA3 GLY 49 1.343 -17.673 8.139 259 HA3 GLY 49 HA2 GLY 49 -0.067 -16.894 8.843 260 H MET 50 H MET 50 -0.661 -15.376 6.377 261 HA MET 50 HA MET 50 -1.925 -17.566 4.955 262 HB2 MET 50 HB2 MET 50 -3.108 -15.753 3.673 263 HB3 MET 50 HB3 MET 50 -3.491 -15.877 5.376 264 HG2 MET 50 HG2 MET 50 -2.115 -13.940 5.837 265 HG3 MET 50 HG3 MET 50 -1.614 -13.879 4.156 266 HE1 MET 50 HE1 MET 50 -3.605 -10.847 3.757 267 HE2 MET 50 HE2 MET 50 -2.095 -11.544 4.374 268 HE3 MET 50 HE3 MET 50 -3.363 -11.057 5.495 269 H THR 51 H THR 51 -2.206 -16.866 2.446 270 HA THR 51 HA THR 51 0.508 -17.394 1.530 271 HB THR 51 HB THR 51 -0.462 -18.369 -0.426 272 HG1 THR 51 HG1 THR 51 -2.962 -18.359 -0.318 273 HG21 THR 51 HG21 THR 51 -1.852 -19.058 2.116 274 HG22 THR 51 HG22 THR 51 -0.509 -19.897 1.337 275 HG23 THR 51 HG23 THR 51 -2.127 -19.961 0.631 276 H GLN 52 H GLN 52 0.632 -16.794 -0.978 277 HA GLN 52 HA GLN 52 0.732 -14.014 -1.260 278 HB2 GLN 52 HB2 GLN 52 0.694 -16.209 -3.329 279 HB3 GLN 52 HB3 GLN 52 1.019 -14.524 -3.680 280 HG2 GLN 52 HG2 GLN 52 2.967 -14.584 -2.219 281 HG3 GLN 52 HG3 GLN 52 2.642 -16.279 -1.868 282 HE21 GLN 52 HE21 GLN 52 4.963 -14.984 -3.073 283 HE22 GLN 52 HE22 GLN 52 5.198 -15.740 -4.606 284 H GLN 53 H GLN 53 -1.669 -16.406 -2.375 285 HA GLN 53 HA GLN 53 -3.159 -14.521 -3.892 286 HB2 GLN 53 HB2 GLN 53 -4.947 -16.203 -3.896 287 HB3 GLN 53 HB3 GLN 53 -3.403 -16.896 -4.323 288 HG2 GLN 53 HG2 GLN 53 -3.236 -18.021 -2.320 289 HG3 GLN 53 HG3 GLN 53 -4.461 -17.028 -1.540 290 HE21 GLN 53 HE21 GLN 53 -6.624 -17.429 -1.955 291 HE22 GLN 53 HE22 GLN 53 -7.162 -18.923 -2.653 292 H GLN 54 H GLN 54 -3.284 -15.668 -0.620 293 HA GLN 54 HA GLN 54 -5.658 -14.500 0.245 294 HB2 GLN 54 HB2 GLN 54 -3.085 -14.802 1.795 295 HB3 GLN 54 HB3 GLN 54 -4.676 -14.548 2.490 296 HG2 GLN 54 HG2 GLN 54 -4.500 -16.868 0.728 297 HG3 GLN 54 HG3 GLN 54 -3.463 -16.954 2.150 298 HE21 GLN 54 HE21 GLN 54 -4.548 -18.478 3.237 299 HE22 GLN 54 HE22 GLN 54 -6.162 -18.288 3.845 300 H VAL 55 H VAL 55 -2.337 -13.192 0.326 301 HA VAL 55 HA VAL 55 -3.085 -10.705 1.430 302 HB VAL 55 HB VAL 55 -0.598 -11.532 -0.056 303 HG11 VAL 55 HG11 VAL 55 -1.025 -9.046 1.590 304 HG12 VAL 55 HG12 VAL 55 -1.035 -9.077 -0.172 305 HG13 VAL 55 HG13 VAL 55 0.438 -9.500 0.709 306 HG21 VAL 55 HG21 VAL 55 -0.872 -10.941 2.849 307 HG22 VAL 55 HG22 VAL 55 0.345 -11.922 2.024 308 HG23 VAL 55 HG23 VAL 55 -1.306 -12.538 2.212 309 H ALA 56 H ALA 56 -2.531 -11.760 -1.921 310 HA ALA 56 HA ALA 56 -2.751 -9.169 -3.028 311 HB1 ALA 56 HB1 ALA 56 -3.547 -11.660 -4.503 312 HB2 ALA 56 HB2 ALA 56 -1.861 -11.262 -4.174 313 HB3 ALA 56 HB3 ALA 56 -2.853 -10.173 -5.140 314 H TYR 57 H TYR 57 -5.107 -11.455 -1.935 315 HA TYR 57 HA TYR 57 -7.302 -10.091 -3.197 316 HB2 TYR 57 HB2 TYR 57 -6.998 -12.430 -1.377 317 HB3 TYR 57 HB3 TYR 57 -8.573 -11.642 -1.482 318 HD1 TYR 57 HD2 TYR 57 -6.213 -11.803 -4.317 319 HD2 TYR 57 HD1 TYR 57 -9.698 -13.505 -2.543 320 HE1 TYR 57 HE2 TYR 57 -6.692 -12.986 -6.402 321 HE2 TYR 57 HE1 TYR 57 -10.185 -14.693 -4.642 322 HH TYR 57 HH TYR 57 -7.904 -14.882 -7.212 323 H ALA 58 H ALA 58 -5.770 -10.154 -0.040 324 HA ALA 58 HA ALA 58 -7.697 -8.486 1.257 325 HB1 ALA 58 HB1 ALA 58 -4.847 -9.020 2.091 326 HB2 ALA 58 HB2 ALA 58 -6.208 -10.106 2.406 327 HB3 ALA 58 HB3 ALA 58 -6.195 -8.492 3.111 328 H LEU 59 H LEU 59 -4.512 -8.001 -0.145 329 HA LEU 59 HA LEU 59 -4.486 -5.188 0.578 330 HB2 LEU 59 HB2 LEU 59 -2.582 -7.265 0.217 331 HB3 LEU 59 HB3 LEU 59 -2.208 -6.009 -0.938 332 HG LEU 59 HG LEU 59 -1.757 -4.435 0.725 333 HD11 LEU 59 HD11 LEU 59 -3.309 -6.276 2.506 334 HD12 LEU 59 HD12 LEU 59 -3.656 -4.584 2.104 335 HD13 LEU 59 HD13 LEU 59 -2.286 -4.987 3.146 336 HD21 LEU 59 HD21 LEU 59 -0.910 -7.121 1.766 337 HD22 LEU 59 HD22 LEU 59 -0.205 -5.575 2.241 338 HD23 LEU 59 HD23 LEU 59 -0.042 -6.148 0.578 339 H GLY 60 H GLY 60 -5.175 -7.160 -2.128 340 HA2 GLY 60 HA3 GLY 60 -5.990 -6.348 -4.204 341 HA3 GLY 60 HA2 GLY 60 -5.154 -4.827 -3.903 342 H THR 61 H THR 61 -5.110 -7.191 -5.990 343 HA THR 61 HA THR 61 -2.583 -8.327 -5.977 344 HB THR 61 HB THR 61 -2.897 -8.574 -8.450 345 HG1 THR 61 HG1 THR 61 -4.499 -6.521 -8.115 346 HG21 THR 61 HG21 THR 61 -3.811 -10.172 -6.746 347 HG22 THR 61 HG22 THR 61 -4.730 -10.124 -8.254 348 HG23 THR 61 HG23 THR 61 -5.340 -9.293 -6.823 349 HA PRO 62 HA PRO 62 0.230 -5.071 -6.350 350 HB2 PRO 62 HB2 PRO 62 1.856 -6.980 -7.898 351 HB3 PRO 62 HB3 PRO 62 2.260 -6.095 -6.434 352 HG2 PRO 62 HG2 PRO 62 1.718 -8.674 -6.287 353 HG3 PRO 62 HG3 PRO 62 1.064 -7.561 -5.065 354 HD2 PRO 62 HD2 PRO 62 -0.301 -8.767 -7.449 355 HD3 PRO 62 HD3 PRO 62 -0.902 -8.586 -5.790 356 H LEU 63 H LEU 63 1.715 -3.973 -7.825 357 HA LEU 63 HA LEU 63 0.381 -2.750 -9.920 358 HB2 LEU 63 HB2 LEU 63 3.365 -2.938 -9.753 359 HB3 LEU 63 HB3 LEU 63 2.378 -1.584 -10.276 360 HG LEU 63 HG LEU 63 2.348 -2.584 -7.444 361 HD11 LEU 63 HD11 LEU 63 4.632 -1.984 -8.132 362 HD12 LEU 63 HD12 LEU 63 3.975 -0.902 -6.899 363 HD13 LEU 63 HD13 LEU 63 4.052 -0.377 -8.582 364 HD21 LEU 63 HD21 LEU 63 1.236 -0.277 -8.948 365 HD22 LEU 63 HD22 LEU 63 1.747 -0.010 -7.280 366 HD23 LEU 63 HD23 LEU 63 0.524 -1.228 -7.644 367 H MET 64 H MET 64 2.860 -5.254 -9.961 368 HA MET 64 HA MET 64 3.136 -5.603 -12.713 369 HB2 MET 64 HB2 MET 64 3.758 -8.029 -12.008 370 HB3 MET 64 HB3 MET 64 4.772 -6.689 -11.500 371 HG2 MET 64 HG2 MET 64 2.590 -7.649 -9.704 372 HG3 MET 64 HG3 MET 64 4.101 -8.552 -9.796 373 HE1 MET 64 HE1 MET 64 5.652 -8.134 -7.716 374 HE2 MET 64 HE2 MET 64 3.948 -8.188 -7.267 375 HE3 MET 64 HE3 MET 64 5.007 -6.970 -6.550 376 H SER 65 H SER 65 0.331 -5.964 -11.068 377 HA SER 65 HA SER 65 -1.679 -6.858 -11.470 378 HB2 SER 65 HB2 SER 65 -2.278 -7.365 -13.866 379 HB3 SER 65 HB3 SER 65 -1.640 -5.753 -13.565 380 HG SER 65 HG SER 65 0.311 -7.565 -14.196 381 H ASP 66 H ASP 66 0.888 -8.727 -11.289 382 HA ASP 66 HA ASP 66 -0.771 -11.052 -10.898 383 HB2 ASP 66 HB2 ASP 66 -0.083 -11.579 -13.096 384 HB3 ASP 66 HB3 ASP 66 1.576 -11.064 -12.794 385 HA PRO 67 HA PRO 67 1.913 -10.535 -7.347 386 HB2 PRO 67 HB2 PRO 67 0.390 -12.196 -5.786 387 HB3 PRO 67 HB3 PRO 67 0.019 -10.491 -6.057 388 HG2 PRO 67 HG2 PRO 67 -1.159 -12.916 -7.354 389 HG3 PRO 67 HG3 PRO 67 -1.969 -11.434 -6.811 390 HD2 PRO 67 HD2 PRO 67 -1.352 -11.894 -9.418 391 HD3 PRO 67 HD3 PRO 67 -1.366 -10.269 -8.704 392 H PHE 68 H PHE 68 0.796 -13.551 -8.804 393 HA PHE 68 HA PHE 68 2.351 -15.238 -7.110 394 HB2 PHE 68 HB2 PHE 68 1.016 -15.956 -9.718 395 HB3 PHE 68 HB3 PHE 68 1.440 -17.035 -8.399 396 HD1 PHE 68 HD2 PHE 68 0.462 -15.713 -6.048 397 HD2 PHE 68 HD1 PHE 68 -1.272 -15.931 -9.922 398 HE1 PHE 68 HE2 PHE 68 -1.766 -15.380 -5.062 399 HE2 PHE 68 HE1 PHE 68 -3.504 -15.578 -8.948 400 HZ PHE 68 HZ PHE 68 -3.752 -15.307 -6.515 401 H GLY 69 H GLY 69 3.435 -13.229 -9.393 402 HA2 GLY 69 HA3 GLY 69 5.222 -15.113 -10.728 403 HA3 GLY 69 HA2 GLY 69 5.033 -13.408 -11.114 404 H THR 70 H THR 70 5.233 -12.809 -8.169 405 HA THR 70 HA THR 70 8.143 -13.145 -7.904 406 HB THR 70 HB THR 70 7.508 -10.816 -8.645 407 HG1 THR 70 HG1 THR 70 9.162 -10.122 -7.471 408 HG21 THR 70 HG21 THR 70 5.370 -10.707 -7.434 409 HG22 THR 70 HG22 THR 70 6.434 -9.351 -7.036 410 HG23 THR 70 HG23 THR 70 6.262 -10.697 -5.908 411 H ASN 71 H ASN 71 8.787 -12.477 -5.586 412 HA ASN 71 HA ASN 71 6.795 -13.434 -3.636 413 HB2 ASN 71 HB2 ASN 71 9.672 -14.242 -3.963 414 HB3 ASN 71 HB3 ASN 71 8.952 -14.242 -2.358 415 HD21 ASN 71 HD21 ASN 71 9.076 -16.416 -2.072 416 HD22 ASN 71 HD22 ASN 71 8.141 -17.555 -2.973 417 H THR 72 H THR 72 8.106 -10.793 -4.657 418 HA THR 72 HA THR 72 8.462 -9.649 -1.982 419 HB THR 72 HB THR 72 10.045 -8.731 -4.374 420 HG1 THR 72 HG1 THR 72 10.443 -10.909 -2.673 421 HG21 THR 72 HG21 THR 72 9.778 -7.186 -2.497 422 HG22 THR 72 HG22 THR 72 11.449 -7.728 -2.648 423 HG23 THR 72 HG23 THR 72 10.410 -8.413 -1.399 424 H TRP 73 H TRP 73 6.755 -8.353 -1.723 425 HA TRP 73 HA TRP 73 5.678 -6.957 -4.083 426 HB2 TRP 73 HB2 TRP 73 4.308 -7.787 -1.512 427 HB3 TRP 73 HB3 TRP 73 3.531 -6.892 -2.811 428 HD1 TRP 73 HD TRP 73 5.592 -9.240 -4.587 429 HE1 TRP 73 HE1 TRP 73 4.313 -11.382 -5.221 430 HE3 TRP 73 HE3 TRP 73 1.552 -8.697 -1.521 431 HZ2 TRP 73 HZ2 TRP 73 1.916 -12.666 -4.508 432 HZ3 TRP 73 HZ3 TRP 73 -0.195 -10.426 -1.565 433 HH2 TRP 73 HH TRP 73 -0.014 -12.366 -3.027 434 H PHE 74 H PHE 74 5.620 -4.763 -4.099 435 HA PHE 74 HA PHE 74 6.607 -3.412 -1.676 436 HB2 PHE 74 HB2 PHE 74 6.709 -2.246 -4.451 437 HB3 PHE 74 HB3 PHE 74 7.643 -1.775 -3.032 438 HD1 PHE 74 HD2 PHE 74 9.271 -3.590 -2.105 439 HD2 PHE 74 HD1 PHE 74 7.649 -3.613 -6.037 440 HE1 PHE 74 HE2 PHE 74 11.095 -5.068 -2.847 441 HE2 PHE 74 HE1 PHE 74 9.470 -5.089 -6.786 442 HZ PHE 74 HZ PHE 74 11.196 -5.816 -5.188 443 H TYR 75 H TYR 75 5.192 -2.255 -0.624 444 HA TYR 75 HA TYR 75 3.152 -0.739 -2.119 445 HB2 TYR 75 HB2 TYR 75 2.760 -2.002 0.603 446 HB3 TYR 75 HB3 TYR 75 1.558 -1.134 -0.326 447 HD1 TYR 75 HD1 TYR 75 1.136 -2.167 -2.766 448 HD2 TYR 75 HD2 TYR 75 2.684 -4.250 0.586 449 HE1 TYR 75 HE1 TYR 75 0.413 -4.296 -3.768 450 HE2 TYR 75 HE2 TYR 75 1.977 -6.394 -0.387 451 HH TYR 75 HH TYR 75 0.244 -7.161 -2.055 452 H VAL 76 H VAL 76 2.253 1.046 -0.441 453 HA VAL 76 HA VAL 76 4.653 2.176 0.854 454 HB VAL 76 HB VAL 76 2.605 3.932 -0.497 455 HG11 VAL 76 HG11 VAL 76 4.073 5.071 1.030 456 HG12 VAL 76 HG12 VAL 76 4.524 5.510 -0.615 457 HG13 VAL 76 HG13 VAL 76 5.491 4.341 0.280 458 HG21 VAL 76 HG21 VAL 76 3.387 2.465 -2.254 459 HG22 VAL 76 HG22 VAL 76 5.065 2.769 -1.799 460 HG23 VAL 76 HG23 VAL 76 4.081 4.072 -2.466 461 H PHE 77 H PHE 77 3.886 4.089 2.338 462 HA PHE 77 HA PHE 77 1.636 3.088 3.898 463 HB2 PHE 77 HB2 PHE 77 3.991 4.830 4.532 464 HB3 PHE 77 HB3 PHE 77 2.546 4.932 5.532 465 HD1 PHE 77 HD2 PHE 77 3.142 1.698 4.088 466 HD2 PHE 77 HD1 PHE 77 4.091 4.214 7.387 467 HE1 PHE 77 HE2 PHE 77 3.848 -0.270 5.383 468 HE2 PHE 77 HE1 PHE 77 4.801 2.249 8.684 469 HZ PHE 77 HZ PHE 77 4.680 0.002 7.681 470 H ARG 78 H ARG 78 0.640 5.165 5.174 471 HA ARG 78 HA ARG 78 -0.986 6.404 3.220 472 HB2 ARG 78 HB2 ARG 78 -1.980 5.827 5.294 473 HB3 ARG 78 HB1 ARG 78 -0.685 6.578 6.212 474 HG2 ARG 78 HG2 ARG 78 -1.442 8.751 5.324 475 HG3 ARG 78 HG1 ARG 78 -2.859 7.942 4.666 476 HD2 ARG 78 HD2 ARG 78 -3.328 8.962 6.853 477 HD3 ARG 78 HD1 ARG 78 -3.487 7.206 6.899 478 HE ARG 78 HE ARG 78 -0.863 8.048 7.659 479 HH11 ARG 78 HH11 ARG 78 -4.146 7.699 8.847 480 HH12 ARG 78 HH12 ARG 78 -3.668 7.581 10.514 481 HH21 ARG 78 HH21 ARG 78 -0.236 7.891 9.845 482 HH22 ARG 78 HH22 ARG 78 -1.437 7.705 11.089 483 H GLN 79 H GLN 79 -0.924 8.532 2.503 484 HA GLN 79 HA GLN 79 1.549 9.612 2.045 485 HB2 GLN 79 HB2 GLN 79 -0.440 10.105 0.694 486 HB3 GLN 79 HB3 GLN 79 -1.081 11.088 2.001 487 HG2 GLN 79 HG2 GLN 79 0.768 12.640 1.778 488 HG3 GLN 79 HG3 GLN 79 1.479 11.634 0.516 489 HE21 GLN 79 HE21 GLN 79 0.580 11.635 -1.533 490 HE22 GLN 79 HE22 GLN 79 -0.580 12.819 -2.041 491 H GLN 80 H GLN 80 2.928 10.275 3.510 492 HA GLN 80 HA GLN 80 2.004 11.755 5.844 493 HB2 GLN 80 HB2 GLN 80 4.603 11.158 6.306 494 HB3 GLN 80 HB3 GLN 80 3.259 10.137 6.789 495 HG2 GLN 80 HG2 GLN 80 3.531 8.851 4.712 496 HG3 GLN 80 HG3 GLN 80 4.898 9.868 4.267 497 HE21 GLN 80 HE21 GLN 80 5.838 10.008 7.057 498 HE22 GLN 80 HE22 GLN 80 6.575 8.479 7.372 499 HA PRO 81 HA PRO 81 3.704 15.436 4.109 500 HB2 PRO 81 HB2 PRO 81 3.820 16.473 6.850 501 HB3 PRO 81 HB3 PRO 81 2.820 17.002 5.496 502 HG2 PRO 81 HG2 PRO 81 1.779 15.720 7.625 503 HG3 PRO 81 HG3 PRO 81 1.131 15.517 5.986 504 HD2 PRO 81 HD2 PRO 81 2.956 13.712 7.537 505 HD3 PRO 81 HD3 PRO 81 1.565 13.292 6.517 506 H GLY 82 H GLY 82 5.754 15.571 3.480 507 HA2 GLY 82 HA3 GLY 82 7.860 15.534 5.549 508 HA3 GLY 82 HA2 GLY 82 8.051 14.654 4.036 509 H HIS 83 H HIS 83 10.024 16.099 4.034 510 HA HIS 83 HA HIS 83 9.330 18.593 2.624 511 HB2 HIS 83 HB2 HIS 83 11.646 18.136 4.515 512 HB3 HIS 83 HB1 HIS 83 11.441 19.570 3.518 513 HD1 HIS 83 HD1 HIS 83 10.334 18.005 6.682 514 HD2 HIS 83 HD2 HIS 83 9.288 21.255 4.304 515 HE1 HIS 83 HE1 HIS 83 8.863 19.453 8.119 516 HE2 HIS 83 HE2 HIS 83 8.419 21.510 6.728 517 H GLU 84 H GLU 84 11.217 15.738 2.831 518 HA GLU 84 HA GLU 84 13.055 16.404 0.730 519 HB2 GLU 84 HB2 GLU 84 12.487 13.738 2.001 520 HB3 GLU 84 HB3 GLU 84 13.900 14.170 1.043 521 HG2 GLU 84 HG2 GLU 84 14.807 14.503 3.053 522 HG3 GLU 84 HG3 GLU 84 14.037 16.070 2.907 523 H GLY 85 H GLY 85 13.272 14.656 -1.092 524 HA2 GLY 85 HA3 GLY 85 11.016 14.658 -2.741 525 HA3 GLY 85 HA2 GLY 85 12.380 13.557 -2.907 526 H VAL 86 H VAL 86 12.344 11.913 -0.905 527 HA VAL 86 HA VAL 86 9.593 10.913 -0.644 528 HB VAL 86 HB VAL 86 12.017 9.158 -0.705 529 HG11 VAL 86 HG11 VAL 86 9.085 8.508 -0.851 530 HG12 VAL 86 HG12 VAL 86 10.135 8.275 0.548 531 HG13 VAL 86 HG13 VAL 86 10.408 7.342 -0.925 532 HG21 VAL 86 HG21 VAL 86 10.060 9.750 -2.916 533 HG22 VAL 86 HG22 VAL 86 11.247 8.445 -2.954 534 HG23 VAL 86 HG23 VAL 86 11.784 10.125 -2.905 535 H THR 87 H THR 87 8.931 10.496 1.323 536 HA THR 87 HA THR 87 10.868 10.170 3.497 537 HB THR 87 HB THR 87 10.157 12.536 3.519 538 HG1 THR 87 HG1 THR 87 9.355 10.804 5.610 539 HG21 THR 87 HG21 THR 87 7.981 12.330 2.477 540 HG22 THR 87 HG22 THR 87 7.798 13.080 4.064 541 HG23 THR 87 HG23 THR 87 7.383 11.378 3.835 542 H GLN 88 H GLN 88 8.519 8.814 1.826 543 HA GLN 88 HA GLN 88 6.672 7.960 3.801 544 HB2 GLN 88 HB2 GLN 88 7.269 6.902 1.041 545 HB3 GLN 88 HB3 GLN 88 5.856 6.524 1.999 546 HG2 GLN 88 HG2 GLN 88 5.409 9.035 2.000 547 HG3 GLN 88 HG3 GLN 88 6.596 9.089 0.711 548 HE21 GLN 88 HE21 GLN 88 3.470 8.019 1.637 549 HE22 GLN 88 HE22 GLN 88 2.899 7.665 0.041 550 H GLN 89 H GLN 89 6.317 5.723 4.344 551 HA GLN 89 HA GLN 89 8.731 4.080 4.248 552 HB2 GLN 89 HB2 GLN 89 6.327 3.885 6.072 553 HB3 GLN 89 HB3 GLN 89 7.659 2.737 6.055 554 HG2 GLN 89 HG2 GLN 89 9.199 4.615 6.605 555 HG3 GLN 89 HG3 GLN 89 7.784 5.648 6.793 556 HE21 GLN 89 HE21 GLN 89 9.804 4.900 8.727 557 HE22 GLN 89 HE22 GLN 89 8.968 4.127 10.033 558 H THR 90 H THR 90 8.373 1.772 3.813 559 HA THR 90 HA THR 90 6.166 1.409 1.903 560 HB THR 90 HB THR 90 7.980 -0.023 0.670 561 HG1 THR 90 HG1 THR 90 9.510 1.801 2.207 562 HG21 THR 90 HG21 THR 90 7.627 2.909 0.552 563 HG22 THR 90 HG22 THR 90 6.985 1.682 -0.533 564 HG23 THR 90 HG23 THR 90 8.702 2.085 -0.568 565 H LEU 91 H LEU 91 5.248 -0.585 1.815 566 HA LEU 91 HA LEU 91 6.103 -2.547 3.797 567 HB2 LEU 91 HB2 LEU 91 3.671 -2.016 3.545 568 HB3 LEU 91 HB3 LEU 91 3.744 -2.658 1.917 569 HG LEU 91 HG LEU 91 4.452 -4.849 2.866 570 HD11 LEU 91 HD11 LEU 91 3.724 -5.022 5.362 571 HD12 LEU 91 HD12 LEU 91 4.101 -3.289 5.381 572 HD13 LEU 91 HD13 LEU 91 5.347 -4.461 4.941 573 HD21 LEU 91 HD21 LEU 91 2.239 -5.437 3.866 574 HD22 LEU 91 HD22 LEU 91 2.172 -4.686 2.261 575 HD23 LEU 91 HD23 LEU 91 1.789 -3.732 3.696 576 H THR 92 H THR 92 7.439 -4.128 3.251 577 HA THR 92 HA THR 92 7.492 -4.970 0.427 578 HB THR 92 HB THR 92 9.765 -5.083 2.427 579 HG1 THR 92 HG1 THR 92 8.899 -3.097 0.877 580 HG21 THR 92 HG21 THR 92 9.811 -6.942 0.840 581 HG22 THR 92 HG22 THR 92 11.108 -5.798 0.490 582 HG23 THR 92 HG23 THR 92 9.650 -5.816 -0.507 583 H LEU 93 H LEU 93 6.298 -6.749 0.338 584 HA LEU 93 HA LEU 93 6.103 -8.414 2.695 585 HB2 LEU 93 HB2 LEU 93 4.207 -7.713 0.957 586 HB3 LEU 93 HB3 LEU 93 4.741 -9.197 0.177 587 HG LEU 93 HG LEU 93 4.360 -10.364 2.341 588 HD11 LEU 93 HD11 LEU 93 2.667 -8.872 3.742 589 HD12 LEU 93 HD12 LEU 93 3.693 -7.594 3.107 590 HD13 LEU 93 HD13 LEU 93 4.398 -8.898 4.062 591 HD21 LEU 93 HD21 LEU 93 1.836 -9.023 1.606 592 HD22 LEU 93 HD22 LEU 93 2.158 -10.724 1.927 593 HD23 LEU 93 HD23 LEU 93 2.664 -9.993 0.398 594 H THR 94 H THR 94 7.190 -10.210 3.031 595 HA THR 94 HA THR 94 8.823 -11.258 0.857 596 HB THR 94 HB THR 94 9.146 -11.225 3.854 597 HG1 THR 94 HG1 THR 94 10.022 -9.684 1.844 598 HG21 THR 94 HG21 THR 94 9.755 -13.406 3.008 599 HG22 THR 94 HG22 THR 94 11.178 -12.521 3.558 600 HG23 THR 94 HG23 THR 94 10.840 -12.671 1.831 601 H PHE 95 H PHE 95 8.332 -13.203 0.096 602 HA PHE 95 HA PHE 95 6.454 -14.842 1.639 603 HB2 PHE 95 HB2 PHE 95 6.722 -14.341 -1.288 604 HB3 PHE 95 HB3 PHE 95 6.016 -15.851 -0.729 605 HD1 PHE 95 HD2 PHE 95 4.120 -15.700 0.911 606 HD2 PHE 95 HD1 PHE 95 5.412 -12.410 -1.427 607 HE1 PHE 95 HE2 PHE 95 1.954 -14.621 1.274 608 HE2 PHE 95 HE1 PHE 95 3.242 -11.306 -1.062 609 HZ PHE 95 HZ PHE 95 1.513 -12.425 0.291 610 H ASN 96 H ASN 96 6.632 -16.963 1.771 611 HA ASN 96 HA ASN 96 9.255 -18.067 1.911 612 HB2 ASN 96 HB2 ASN 96 6.980 -18.470 3.242 613 HB3 ASN 96 HB3 ASN 96 6.808 -19.754 2.070 614 HD21 ASN 96 HD21 ASN 96 6.958 -20.065 4.761 615 HD22 ASN 96 HD22 ASN 96 8.409 -20.922 5.148 616 H SER 97 H SER 97 9.371 -20.516 1.096 617 HA SER 97 HA SER 97 9.611 -20.470 -1.689 618 HB2 SER 97 HB2 SER 97 9.721 -23.050 -1.347 619 HB3 SER 97 HB3 SER 97 10.964 -22.036 -0.614 620 HG SER 97 HG SER 97 10.270 -22.559 1.306 621 H SER 98 H SER 98 7.025 -21.807 0.357 622 HA SER 98 HA SER 98 5.553 -22.837 -1.887 623 HB2 SER 98 HB2 SER 98 5.419 -23.878 0.355 624 HB3 SER 98 HB3 SER 98 4.685 -22.408 0.986 625 HG SER 98 HG SER 98 3.528 -23.778 -1.199 626 H GLY 99 H GLY 99 6.030 -19.757 -0.720 627 HA2 GLY 99 HA3 GLY 99 5.030 -17.793 -1.531 628 HA3 GLY 99 HA2 GLY 99 3.668 -18.751 -2.102 629 H VAL 100 H VAL 100 4.973 -19.021 1.114 630 HA VAL 100 HA VAL 100 2.424 -18.063 2.204 631 HB VAL 100 HB VAL 100 4.652 -19.536 3.620 632 HG11 VAL 100 HG11 VAL 100 1.757 -19.109 4.341 633 HG12 VAL 100 HG12 VAL 100 3.154 -18.361 5.116 634 HG13 VAL 100 HG13 VAL 100 2.901 -20.103 5.246 635 HG21 VAL 100 HG21 VAL 100 2.217 -20.643 2.236 636 HG22 VAL 100 HG22 VAL 100 3.227 -21.557 3.358 637 HG23 VAL 100 HG23 VAL 100 3.911 -20.958 1.845 638 H LEU 101 H LEU 101 2.360 -16.329 3.639 639 HA LEU 101 HA LEU 101 4.419 -14.438 3.554 640 HB2 LEU 101 HB2 LEU 101 1.851 -14.736 4.895 641 HB3 LEU 101 HB3 LEU 101 3.020 -13.796 5.806 642 HG LEU 101 HG LEU 101 2.053 -13.260 3.022 643 HD11 LEU 101 HD11 LEU 101 1.803 -11.705 5.576 644 HD12 LEU 101 HD12 LEU 101 0.511 -12.630 4.811 645 HD13 LEU 101 HD13 LEU 101 1.182 -11.213 4.001 646 HD21 LEU 101 HD21 LEU 101 4.079 -11.743 4.620 647 HD22 LEU 101 HD22 LEU 101 3.503 -11.346 3.004 648 HD23 LEU 101 HD23 LEU 101 4.457 -12.811 3.273 649 H THR 102 H THR 102 6.228 -14.307 4.538 650 HA THR 102 HA THR 102 6.607 -15.822 7.032 651 HB THR 102 HB THR 102 9.018 -15.802 6.536 652 HG1 THR 102 HG1 THR 102 9.807 -14.665 4.905 653 HG21 THR 102 HG21 THR 102 7.037 -16.892 4.626 654 HG22 THR 102 HG22 THR 102 8.078 -17.752 5.767 655 HG23 THR 102 HG23 THR 102 8.751 -17.096 4.272 656 H ASN 103 H ASN 103 7.325 -12.849 5.320 657 HA ASN 103 HA ASN 103 7.435 -11.467 7.927 658 HB2 ASN 103 HB2 ASN 103 9.375 -11.028 5.674 659 HB3 ASN 103 HB3 ASN 103 9.201 -9.944 7.029 660 HD21 ASN 103 HD21 ASN 103 11.185 -10.128 7.846 661 HD22 ASN 103 HD22 ASN 103 11.863 -11.584 8.488 662 H ILE 104 H ILE 104 6.756 -9.414 7.980 663 HA ILE 104 HA ILE 104 5.676 -8.208 5.502 664 HB ILE 104 HB ILE 104 4.850 -7.207 8.199 665 HG12 ILE 104 HG12 ILE 104 4.532 -9.703 8.273 666 HG13 ILE 104 HG13 ILE 104 3.066 -8.761 8.484 667 HG21 ILE 104 HG21 ILE 104 3.458 -7.402 5.530 668 HG22 ILE 104 HG22 ILE 104 4.146 -5.962 6.273 669 HG23 ILE 104 HG23 ILE 104 2.735 -6.739 6.995 670 HD11 ILE 104 HD11 ILE 104 2.496 -9.196 6.127 671 HD12 ILE 104 HD12 ILE 104 2.617 -10.661 7.105 672 HD13 ILE 104 HD13 ILE 104 3.928 -10.223 6.002 673 H ASP 105 H ASP 105 7.554 -7.091 4.918 674 HA ASP 105 HA ASP 105 9.142 -5.870 7.021 675 HB2 ASP 105 HB2 ASP 105 10.126 -7.180 5.092 676 HB3 ASP 105 HB3 ASP 105 9.695 -5.830 4.057 677 H ASN 106 H ASN 106 8.090 -4.082 7.725 678 HA ASN 106 HA ASN 106 7.482 -2.030 5.734 679 HB2 ASN 106 HB2 ASN 106 6.127 -1.000 7.577 680 HB3 ASN 106 HB3 ASN 106 5.543 -2.538 6.987 681 HD21 ASN 106 HD21 ASN 106 5.732 -4.374 8.320 682 HD22 ASN 106 HD22 ASN 106 5.972 -4.227 10.026 683 H LYS 107 H LYS 107 9.159 -0.843 5.428 684 HA LYS 107 HA LYS 107 10.459 0.475 7.695 685 HB2 LYS 107 HB2 LYS 107 12.650 -0.015 6.930 686 HB3 LYS 107 HB1 LYS 107 11.793 -1.539 6.876 687 HG2 LYS 107 HG2 LYS 107 12.198 0.225 4.503 688 HG3 LYS 107 HG1 LYS 107 13.261 -1.108 4.919 689 HD2 LYS 107 HD2 LYS 107 11.344 -2.644 4.712 690 HD3 LYS 107 HD1 LYS 107 10.330 -1.281 4.232 691 HE2 LYS 107 HE2 LYS 107 12.805 -2.208 2.790 692 HE3 LYS 107 HE1 LYS 107 11.154 -2.574 2.298 693 HZ1 LYS 107 HZ1 LYS 107 10.780 -0.174 2.026 694 HZ2 LYS 107 HZ2 LYS 107 12.031 -0.736 1.029 695 HZ3 LYS 107 HZ3 LYS 107 12.397 0.126 2.439 696 HA PRO 108 HA PRO 108 10.367 4.185 5.261 697 HB2 PRO 108 HB2 PRO 108 13.332 4.268 5.099 698 HB3 PRO 108 HB3 PRO 108 12.212 5.479 5.695 699 HG2 PRO 108 HG2 PRO 108 13.623 4.121 7.430 700 HG3 PRO 108 HG3 PRO 108 11.889 4.377 7.736 701 HD2 PRO 108 HD2 PRO 108 13.265 1.992 6.574 702 HD3 PRO 108 HD3 PRO 108 12.069 2.030 7.886 703 H ALA 109 H ALA 109 10.507 5.001 3.140 704 HA ALA 109 HA ALA 109 10.911 3.038 1.114 705 HB1 ALA 109 HB1 ALA 109 10.395 5.986 0.813 706 HB2 ALA 109 HB2 ALA 109 9.172 4.725 0.953 707 HB3 ALA 109 HB3 ALA 109 10.246 4.755 -0.447 708 H LEU 110 H LEU 110 12.113 3.703 -0.895 709 HA LEU 110 HA LEU 110 14.795 3.381 -0.501 710 HB2 LEU 110 HB2 LEU 110 13.665 4.834 -2.878 711 HB3 LEU 110 HB3 LEU 110 15.057 3.768 -2.823 712 HG LEU 110 HG LEU 110 12.201 2.864 -2.394 713 HD11 LEU 110 HD11 LEU 110 13.946 2.367 -4.793 714 HD12 LEU 110 HD12 LEU 110 12.795 3.704 -4.718 715 HD13 LEU 110 HD13 LEU 110 12.223 2.038 -4.613 716 HD21 LEU 110 HD21 LEU 110 14.046 1.523 -1.321 717 HD22 LEU 110 HD22 LEU 110 14.670 1.229 -2.948 718 HD23 LEU 110 HD23 LEU 110 13.067 0.648 -2.498 719 H SER 111 H SER 111 13.316 6.442 -1.611 720 HA SER 111 HA SER 111 13.958 8.610 -1.415 721 HB2 SER 111 HB2 SER 111 13.779 7.939 1.057 722 HB3 SER 111 HB3 SER 111 15.538 7.806 1.036 723 HG SER 111 HG SER 111 14.022 10.003 1.280 724 H GLY 112 H GLY 112 15.283 7.319 -3.256 725 HA2 GLY 112 HA3 GLY 112 17.548 8.667 -3.885 726 HA3 GLY 112 HA2 GLY 112 18.138 7.344 -2.885 727 H ASN 113 H ASN 113 19.172 6.148 -4.425 728 HA ASN 113 HA ASN 113 17.599 5.300 -6.760 729 HB2 ASN 113 HB2 ASN 113 19.822 6.323 -7.203 730 HB3 ASN 113 HB3 ASN 113 20.575 5.028 -6.275 731 HD21 ASN 113 HD21 ASN 113 17.833 4.661 -8.428 732 HD22 ASN 113 HD22 ASN 113 18.647 3.692 -9.613 Start of MODEL 10 1 H1 GLY 17 H1 GLY 17 -15.437 25.359 11.865 2 H2 GLY 17 H2 GLY 17 -15.747 24.404 13.231 3 H3 GLY 17 H3 GLY 17 -14.359 25.377 13.174 4 HA2 GLY 17 HA2 GLY 17 -16.101 26.328 14.591 5 HA3 GLY 17 HA3 GLY 17 -15.646 27.370 13.250 6 H SER 18 H SER 18 -18.153 27.176 14.833 7 HA SER 18 HA SER 18 -20.174 26.048 13.170 8 HB2 SER 18 HB2 SER 18 -20.434 28.167 15.315 9 HB3 SER 18 HB3 SER 18 -21.745 27.192 14.651 10 HG SER 18 HG SER 18 -20.715 25.341 15.492 11 H HIS 19 H HIS 19 -18.496 29.070 13.208 12 HA HIS 19 HA HIS 19 -20.245 30.024 11.030 13 HB2 HIS 19 HB2 HIS 19 -20.277 31.263 13.359 14 HB3 HIS 19 HB1 HIS 19 -18.756 31.943 12.795 15 HD1 HIS 19 HD1 HIS 19 -19.333 34.281 12.176 16 HD2 HIS 19 HD2 HIS 19 -22.109 31.535 10.732 17 HE1 HIS 19 HE1 HIS 19 -20.951 35.613 10.785 18 HE2 HIS 19 HE2 HIS 19 -22.729 33.967 10.087 19 H MET 20 H MET 20 -18.715 28.851 9.695 20 HA MET 20 HA MET 20 -15.929 29.674 9.729 21 HB2 MET 20 HB2 MET 20 -16.726 27.292 9.374 22 HB3 MET 20 HB3 MET 20 -17.288 27.799 7.789 23 HG2 MET 20 HG2 MET 20 -14.998 28.411 7.176 24 HG3 MET 20 HG3 MET 20 -14.439 27.888 8.763 25 HE1 MET 20 HE1 MET 20 -13.226 26.824 5.973 26 HE2 MET 20 HE2 MET 20 -13.026 25.119 6.377 27 HE3 MET 20 HE3 MET 20 -12.636 26.359 7.569 28 H SER 21 H SER 21 -17.663 31.767 9.114 29 HA SER 21 HA SER 21 -17.569 32.209 6.254 30 HB2 SER 21 HB2 SER 21 -18.321 34.171 8.433 31 HB3 SER 21 HB3 SER 21 -18.753 34.247 6.725 32 HG SER 21 HG SER 21 -19.670 31.961 7.445 33 H THR 22 H THR 22 -15.683 32.705 5.381 34 HA THR 22 HA THR 22 -13.492 33.254 5.192 35 HB THR 22 HB THR 22 -12.958 35.668 5.767 36 HG1 THR 22 HG1 THR 22 -15.753 35.738 6.361 37 HG21 THR 22 HG21 THR 22 -14.379 36.550 3.971 38 HG22 THR 22 HG22 THR 22 -15.363 35.088 4.043 39 HG23 THR 22 HG23 THR 22 -13.673 34.991 3.550 40 H LEU 23 H LEU 23 -13.745 31.628 7.285 41 HA LEU 23 HA LEU 23 -12.376 32.771 9.588 42 HB2 LEU 23 HB2 LEU 23 -14.276 31.230 9.914 43 HB3 LEU 23 HB3 LEU 23 -13.396 29.971 9.070 44 HG LEU 23 HG LEU 23 -11.684 30.001 10.859 45 HD11 LEU 23 HD11 LEU 23 -13.582 31.929 12.185 46 HD12 LEU 23 HD12 LEU 23 -11.947 32.283 11.627 47 HD13 LEU 23 HD13 LEU 23 -12.199 31.160 12.963 48 HD21 LEU 23 HD21 LEU 23 -14.512 29.559 11.811 49 HD22 LEU 23 HD22 LEU 23 -13.056 28.901 12.557 50 HD23 LEU 23 HD23 LEU 23 -13.521 28.393 10.934 51 H GLU 24 H GLU 24 -10.324 33.194 8.813 52 HA GLU 24 HA GLU 24 -8.173 32.833 8.167 53 HB2 GLU 24 HB2 GLU 24 -8.780 30.085 9.270 54 HB3 GLU 24 HB3 GLU 24 -7.172 30.639 8.827 55 HG2 GLU 24 HG2 GLU 24 -7.383 32.451 10.494 56 HG3 GLU 24 HG3 GLU 24 -8.932 31.767 10.987 57 H ARG 25 H ARG 25 -6.983 30.429 7.161 58 HA ARG 25 HA ARG 25 -8.584 29.877 4.762 59 HB2 ARG 25 HB2 ARG 25 -6.569 31.462 4.434 60 HB3 ARG 25 HB1 ARG 25 -5.579 30.028 4.681 61 HG2 ARG 25 HG2 ARG 25 -6.693 28.936 2.799 62 HG3 ARG 25 HG1 ARG 25 -7.675 30.380 2.549 63 HD2 ARG 25 HD2 ARG 25 -5.505 31.646 2.271 64 HD3 ARG 25 HD1 ARG 25 -4.700 30.076 2.217 65 HE ARG 25 HE ARG 25 -6.793 30.031 0.369 66 HH11 ARG 25 HH11 ARG 25 -3.670 31.544 0.836 67 HH12 ARG 25 HH12 ARG 25 -3.448 31.908 -0.850 68 HH21 ARG 25 HH21 ARG 25 -6.519 30.520 -1.848 69 HH22 ARG 25 HH22 ARG 25 -5.065 31.319 -2.378 70 H VAL 26 H VAL 26 -8.524 28.422 7.154 71 HA VAL 26 HA VAL 26 -6.757 26.170 6.875 72 HB VAL 26 HB VAL 26 -8.058 25.175 8.735 73 HG11 VAL 26 HG11 VAL 26 -7.437 26.839 10.443 74 HG12 VAL 26 HG12 VAL 26 -7.195 28.033 9.168 75 HG13 VAL 26 HG13 VAL 26 -6.166 26.603 9.243 76 HG21 VAL 26 HG21 VAL 26 -9.820 26.450 9.830 77 HG22 VAL 26 HG22 VAL 26 -10.249 26.122 8.150 78 HG23 VAL 26 HG23 VAL 26 -9.673 27.722 8.617 79 H VAL 27 H VAL 27 -7.484 23.972 6.510 80 HA VAL 27 HA VAL 27 -9.949 23.810 4.951 81 HB VAL 27 HB VAL 27 -7.639 23.993 3.622 82 HG11 VAL 27 HG11 VAL 27 -6.602 22.072 4.691 83 HG12 VAL 27 HG12 VAL 27 -6.829 21.775 2.969 84 HG13 VAL 27 HG13 VAL 27 -7.923 21.032 4.144 85 HG21 VAL 27 HG21 VAL 27 -9.865 23.859 2.628 86 HG22 VAL 27 HG22 VAL 27 -9.865 22.110 2.857 87 HG23 VAL 27 HG23 VAL 27 -8.708 22.856 1.754 88 H TYR 28 H TYR 28 -10.514 21.500 4.476 89 HA TYR 28 HA TYR 28 -10.471 19.923 6.832 90 HB2 TYR 28 HB2 TYR 28 -11.336 19.303 4.003 91 HB3 TYR 28 HB3 TYR 28 -11.618 18.263 5.389 92 HD1 TYR 28 HD2 TYR 28 -12.974 19.220 7.326 93 HD2 TYR 28 HD1 TYR 28 -12.856 21.016 3.480 94 HE1 TYR 28 HE2 TYR 28 -15.050 20.442 7.845 95 HE2 TYR 28 HE1 TYR 28 -14.925 22.249 3.981 96 HH TYR 28 HH TYR 28 -16.287 22.353 7.166 97 H ARG 29 H ARG 29 -8.976 18.528 7.477 98 HA ARG 29 HA ARG 29 -7.139 17.400 5.472 99 HB2 ARG 29 HB2 ARG 29 -5.960 18.814 7.071 100 HB3 ARG 29 HB1 ARG 29 -6.666 17.922 8.414 101 HG2 ARG 29 HG2 ARG 29 -5.502 15.888 7.602 102 HG3 ARG 29 HG1 ARG 29 -4.713 16.879 6.374 103 HD2 ARG 29 HD2 ARG 29 -3.664 18.224 8.092 104 HD3 ARG 29 HD1 ARG 29 -4.508 17.323 9.349 105 HE ARG 29 HE ARG 29 -2.871 15.700 7.613 106 HH11 ARG 29 HH11 ARG 29 -2.953 17.618 10.546 107 HH12 ARG 29 HH12 ARG 29 -1.610 16.789 11.269 108 HH21 ARG 29 HH21 ARG 29 -1.095 14.623 8.547 109 HH22 ARG 29 HH22 ARG 29 -0.560 15.067 10.147 110 HA PRO 30 HA PRO 30 -9.388 13.658 6.734 111 HB2 PRO 30 HB2 PRO 30 -7.954 12.652 4.362 112 HB3 PRO 30 HB3 PRO 30 -9.674 12.596 4.752 113 HG2 PRO 30 HG2 PRO 30 -8.760 14.231 2.858 114 HG3 PRO 30 HG3 PRO 30 -10.072 14.703 3.951 115 HD2 PRO 30 HD2 PRO 30 -7.193 15.463 4.050 116 HD3 PRO 30 HD3 PRO 30 -8.636 16.456 4.299 117 H ASP 31 H ASP 31 -8.478 11.381 7.085 118 HA ASP 31 HA ASP 31 -6.093 11.499 8.558 119 HB2 ASP 31 HB2 ASP 31 -7.697 9.168 7.555 120 HB3 ASP 31 HB3 ASP 31 -6.244 8.964 8.522 121 H ILE 32 H ILE 32 -6.744 9.740 5.625 122 HA ILE 32 HA ILE 32 -3.979 9.543 4.930 123 HB ILE 32 HB ILE 32 -6.395 9.044 3.194 124 HG12 ILE 32 HG12 ILE 32 -6.258 7.643 5.247 125 HG13 ILE 32 HG13 ILE 32 -6.091 6.718 3.764 126 HG21 ILE 32 HG21 ILE 32 -4.710 7.646 1.935 127 HG22 ILE 32 HG22 ILE 32 -3.460 8.491 2.858 128 HG23 ILE 32 HG23 ILE 32 -4.525 9.398 1.785 129 HD11 ILE 32 HD11 ILE 32 -4.530 6.079 5.566 130 HD12 ILE 32 HD12 ILE 32 -3.771 7.656 5.409 131 HD13 ILE 32 HD13 ILE 32 -3.747 6.524 4.054 132 H ASN 33 H ASN 33 -2.856 10.682 3.464 133 HA ASN 33 HA ASN 33 -4.104 13.130 2.423 134 HB2 ASN 33 HB2 ASN 33 -2.181 14.254 2.920 135 HB3 ASN 33 HB3 ASN 33 -1.976 12.912 4.046 136 HD21 ASN 33 HD21 ASN 33 -0.478 11.331 3.630 137 HD22 ASN 33 HD22 ASN 33 0.749 11.500 2.431 138 H GLN 34 H GLN 34 -2.540 10.167 1.656 139 HA GLN 34 HA GLN 34 -2.096 10.954 -1.100 140 HB2 GLN 34 HB2 GLN 34 -1.558 8.159 -0.410 141 HB3 GLN 34 HB3 GLN 34 -0.551 9.319 -1.246 142 HG2 GLN 34 HG2 GLN 34 0.660 8.840 0.626 143 HG3 GLN 34 HG3 GLN 34 -0.168 10.312 1.111 144 HE21 GLN 34 HE21 GLN 34 0.090 6.888 1.454 145 HE22 GLN 34 HE22 GLN 34 -0.838 6.743 2.899 146 H GLY 35 H GLY 35 -2.516 8.627 -2.458 147 HA2 GLY 35 HA3 GLY 35 -4.790 7.150 -1.999 148 HA3 GLY 35 HA2 GLY 35 -5.358 8.635 -2.751 149 H ASN 36 H ASN 36 -3.657 5.661 -3.202 150 HA ASN 36 HA ASN 36 -4.098 5.483 -5.956 151 HB2 ASN 36 HB2 ASN 36 -2.391 7.362 -5.973 152 HB3 ASN 36 HB3 ASN 36 -1.228 6.228 -5.309 153 HD21 ASN 36 HD21 ASN 36 -1.149 7.708 -7.772 154 HD22 ASN 36 HD22 ASN 36 -1.005 6.539 -9.027 155 H TYR 37 H TYR 37 -1.874 4.769 -3.330 156 HA TYR 37 HA TYR 37 -1.745 1.980 -4.212 157 HB2 TYR 37 HB2 TYR 37 0.459 2.078 -2.808 158 HB3 TYR 37 HB3 TYR 37 0.445 2.724 -4.445 159 HD1 TYR 37 HD2 TYR 37 -0.155 3.863 -0.929 160 HD2 TYR 37 HD1 TYR 37 1.347 4.815 -4.793 161 HE1 TYR 37 HE2 TYR 37 0.617 6.038 -0.085 162 HE2 TYR 37 HE1 TYR 37 2.131 6.991 -3.957 163 HH TYR 37 HH TYR 37 1.622 8.558 -2.139 164 H LEU 38 H LEU 38 -0.695 0.799 -2.078 165 HA LEU 38 HA LEU 38 -2.847 0.685 -0.201 166 HB2 LEU 38 HB2 LEU 38 -1.422 -1.248 -0.942 167 HB3 LEU 38 HB3 LEU 38 -0.106 -0.575 -0.001 168 HG LEU 38 HG LEU 38 -2.102 -0.746 1.858 169 HD11 LEU 38 HD11 LEU 38 -3.683 -1.910 0.615 170 HD12 LEU 38 HD12 LEU 38 -2.861 -3.185 1.514 171 HD13 LEU 38 HD13 LEU 38 -2.468 -2.899 -0.184 172 HD21 LEU 38 HD21 LEU 38 0.205 -1.432 2.172 173 HD22 LEU 38 HD22 LEU 38 -0.060 -2.843 1.148 174 HD23 LEU 38 HD23 LEU 38 -0.899 -2.703 2.692 175 H THR 39 H THR 39 -2.636 1.056 2.107 176 HA THR 39 HA THR 39 -0.449 2.876 2.843 177 HB THR 39 HB THR 39 -1.930 4.137 4.268 178 HG1 THR 39 HG1 THR 39 -3.998 2.364 3.358 179 HG21 THR 39 HG21 THR 39 -1.894 4.337 1.627 180 HG22 THR 39 HG22 THR 39 -2.924 5.360 2.627 181 HG23 THR 39 HG23 THR 39 -3.600 3.941 1.822 182 H ALA 40 H ALA 40 -0.569 3.104 5.430 183 HA ALA 40 HA ALA 40 0.235 0.589 6.463 184 HB1 ALA 40 HB1 ALA 40 -0.466 3.117 7.948 185 HB2 ALA 40 HB2 ALA 40 1.129 2.686 7.332 186 HB3 ALA 40 HB3 ALA 40 0.395 1.731 8.619 187 H ASN 41 H ASN 41 -2.742 2.381 6.519 188 HA ASN 41 HA ASN 41 -4.108 0.986 8.539 189 HB2 ASN 41 HB2 ASN 41 -5.211 2.322 6.057 190 HB3 ASN 41 HB3 ASN 41 -6.140 1.876 7.479 191 HD21 ASN 41 HD21 ASN 41 -5.846 4.486 6.320 192 HD22 ASN 41 HD22 ASN 41 -5.126 5.493 7.530 193 H ASP 42 H ASP 42 -3.855 0.551 5.088 194 HA ASP 42 HA ASP 42 -5.531 -1.730 4.893 195 HB2 ASP 42 HB2 ASP 42 -3.333 -0.810 3.037 196 HB3 ASP 42 HB3 ASP 42 -4.575 -1.996 2.652 197 H VAL 43 H VAL 43 -2.104 -1.296 5.533 198 HA VAL 43 HA VAL 43 -1.257 -3.947 5.238 199 HB VAL 43 HB VAL 43 -0.285 -1.844 7.178 200 HG11 VAL 43 HG11 VAL 43 1.023 -4.429 6.379 201 HG12 VAL 43 HG12 VAL 43 0.278 -4.107 7.952 202 HG13 VAL 43 HG13 VAL 43 1.708 -3.198 7.448 203 HG21 VAL 43 HG21 VAL 43 1.069 -2.815 4.718 204 HG22 VAL 43 HG22 VAL 43 1.374 -1.335 5.625 205 HG23 VAL 43 HG23 VAL 43 -0.097 -1.495 4.659 206 H SER 44 H SER 44 -2.842 -2.315 7.902 207 HA SER 44 HA SER 44 -2.639 -4.253 9.880 208 HB2 SER 44 HB2 SER 44 -3.422 -1.970 10.242 209 HB3 SER 44 HB3 SER 44 -4.914 -2.332 9.382 210 HG SER 44 HG SER 44 -4.016 -3.648 11.741 211 H LYS 45 H LYS 45 -4.517 -4.225 7.010 212 HA LYS 45 HA LYS 45 -6.604 -5.982 7.791 213 HB2 LYS 45 HB2 LYS 45 -5.511 -5.340 5.066 214 HB3 LYS 45 HB1 LYS 45 -7.005 -6.215 5.377 215 HG2 LYS 45 HG2 LYS 45 -7.978 -4.282 6.422 216 HG3 LYS 45 HG1 LYS 45 -6.454 -3.399 6.283 217 HD2 LYS 45 HD2 LYS 45 -7.983 -2.717 4.519 218 HD3 LYS 45 HD1 LYS 45 -6.604 -3.579 3.829 219 HE2 LYS 45 HE2 LYS 45 -8.064 -5.660 3.986 220 HE3 LYS 45 HE1 LYS 45 -9.411 -4.550 4.233 221 HZ1 LYS 45 HZ1 LYS 45 -8.611 -3.429 2.114 222 HZ2 LYS 45 HZ2 LYS 45 -9.378 -4.929 1.949 223 HZ3 LYS 45 HZ3 LYS 45 -7.691 -4.830 1.845 224 H ILE 46 H ILE 46 -3.333 -6.498 6.629 225 HA ILE 46 HA ILE 46 -3.905 -9.319 6.226 226 HB ILE 46 HB ILE 46 -1.664 -9.504 5.288 227 HG12 ILE 46 HG12 ILE 46 -1.476 -6.491 5.391 228 HG13 ILE 46 HG13 ILE 46 -0.690 -7.545 6.566 229 HG21 ILE 46 HG21 ILE 46 -2.152 -8.407 3.208 230 HG22 ILE 46 HG22 ILE 46 -3.307 -7.344 4.016 231 HG23 ILE 46 HG23 ILE 46 -3.620 -9.077 3.919 232 HD11 ILE 46 HD11 ILE 46 -0.245 -7.949 3.637 233 HD12 ILE 46 HD12 ILE 46 0.782 -8.404 5.009 234 HD13 ILE 46 HD13 ILE 46 0.656 -6.707 4.533 235 H ARG 47 H ARG 47 -1.732 -10.591 6.679 236 HA ARG 47 HA ARG 47 -0.401 -10.125 9.127 237 HB2 ARG 47 HB2 ARG 47 -1.487 -11.795 10.534 238 HB3 ARG 47 HB1 ARG 47 -2.669 -10.586 10.053 239 HG2 ARG 47 HG2 ARG 47 -2.388 -13.128 8.505 240 HG3 ARG 47 HG1 ARG 47 -3.328 -13.080 10.000 241 HD2 ARG 47 HD2 ARG 47 -3.767 -11.376 7.547 242 HD3 ARG 47 HD1 ARG 47 -4.762 -12.745 8.061 243 HE ARG 47 HE ARG 47 -4.453 -10.409 9.816 244 HH11 ARG 47 HH11 ARG 47 -6.492 -12.476 7.853 245 HH12 ARG 47 HH12 ARG 47 -7.970 -11.794 8.452 246 HH21 ARG 47 HH21 ARG 47 -6.388 -9.537 10.636 247 HH22 ARG 47 HH22 ARG 47 -7.918 -10.144 10.063 248 H VAL 48 H VAL 48 1.074 -11.758 9.602 249 HA VAL 48 HA VAL 48 1.938 -13.231 7.326 250 HB VAL 48 HB VAL 48 3.010 -13.872 10.003 251 HG11 VAL 48 HG11 VAL 48 4.264 -13.156 7.359 252 HG12 VAL 48 HG12 VAL 48 3.986 -14.796 7.960 253 HG13 VAL 48 HG13 VAL 48 5.127 -13.736 8.788 254 HG21 VAL 48 HG21 VAL 48 3.225 -11.182 8.702 255 HG22 VAL 48 HG22 VAL 48 4.355 -11.755 9.933 256 HG23 VAL 48 HG23 VAL 48 2.644 -11.549 10.325 257 H GLY 49 H GLY 49 1.992 -15.473 7.047 258 HA2 GLY 49 HA3 GLY 49 1.517 -17.686 8.046 259 HA3 GLY 49 HA2 GLY 49 0.097 -16.943 8.769 260 H MET 50 H MET 50 -0.661 -15.408 6.459 261 HA MET 50 HA MET 50 -1.868 -17.560 4.960 262 HB2 MET 50 HB2 MET 50 -3.119 -15.751 3.763 263 HB3 MET 50 HB3 MET 50 -3.441 -15.887 5.481 264 HG2 MET 50 HG2 MET 50 -2.014 -13.939 5.875 265 HG3 MET 50 HG3 MET 50 -1.673 -13.852 4.153 266 HE1 MET 50 HE1 MET 50 -3.709 -10.886 3.872 267 HE2 MET 50 HE2 MET 50 -2.158 -11.540 4.422 268 HE3 MET 50 HE3 MET 50 -3.362 -11.018 5.601 269 H THR 51 H THR 51 -2.199 -16.831 2.485 270 HA THR 51 HA THR 51 0.508 -17.272 1.520 271 HB THR 51 HB THR 51 -0.479 -18.243 -0.431 272 HG1 THR 51 HG1 THR 51 -3.071 -18.226 0.045 273 HG21 THR 51 HG21 THR 51 -1.823 -19.001 2.122 274 HG22 THR 51 HG22 THR 51 -0.425 -19.764 1.360 275 HG23 THR 51 HG23 THR 51 -2.027 -19.916 0.633 276 H GLN 52 H GLN 52 0.602 -16.624 -0.969 277 HA GLN 52 HA GLN 52 0.590 -13.841 -1.228 278 HB2 GLN 52 HB2 GLN 52 0.600 -16.054 -3.270 279 HB3 GLN 52 HB3 GLN 52 0.746 -14.360 -3.685 280 HG2 GLN 52 HG2 GLN 52 2.785 -14.193 -2.372 281 HG3 GLN 52 HG3 GLN 52 2.634 -15.891 -1.923 282 HE21 GLN 52 HE21 GLN 52 4.647 -16.344 -2.854 283 HE22 GLN 52 HE22 GLN 52 4.845 -16.451 -4.565 284 H GLN 53 H GLN 53 -1.746 -16.315 -2.301 285 HA GLN 53 HA GLN 53 -3.302 -14.471 -3.795 286 HB2 GLN 53 HB2 GLN 53 -4.979 -16.211 -3.911 287 HB3 GLN 53 HB3 GLN 53 -3.393 -16.884 -4.211 288 HG2 GLN 53 HG2 GLN 53 -3.794 -18.414 -2.689 289 HG3 GLN 53 HG3 GLN 53 -3.872 -17.152 -1.463 290 HE21 GLN 53 HE21 GLN 53 -6.261 -15.916 -2.584 291 HE22 GLN 53 HE22 GLN 53 -7.580 -16.981 -2.231 292 H GLN 54 H GLN 54 -3.347 -15.591 -0.517 293 HA GLN 54 HA GLN 54 -5.720 -14.389 0.353 294 HB2 GLN 54 HB2 GLN 54 -3.159 -14.641 1.924 295 HB3 GLN 54 HB3 GLN 54 -4.776 -14.457 2.581 296 HG2 GLN 54 HG2 GLN 54 -4.441 -16.753 0.809 297 HG3 GLN 54 HG3 GLN 54 -3.468 -16.808 2.276 298 HE21 GLN 54 HE21 GLN 54 -4.547 -18.417 3.256 299 HE22 GLN 54 HE22 GLN 54 -6.180 -18.286 3.815 300 H VAL 55 H VAL 55 -2.389 -13.114 0.377 301 HA VAL 55 HA VAL 55 -3.144 -10.610 1.454 302 HB VAL 55 HB VAL 55 -0.620 -11.485 0.062 303 HG11 VAL 55 HG11 VAL 55 -1.057 -8.993 1.681 304 HG12 VAL 55 HG12 VAL 55 -1.041 -9.031 -0.081 305 HG13 VAL 55 HG13 VAL 55 0.411 -9.471 0.823 306 HG21 VAL 55 HG21 VAL 55 -0.988 -10.878 2.958 307 HG22 VAL 55 HG22 VAL 55 0.262 -11.852 2.174 308 HG23 VAL 55 HG23 VAL 55 -1.389 -12.478 2.307 309 H ALA 56 H ALA 56 -2.516 -11.736 -1.850 310 HA ALA 56 HA ALA 56 -2.657 -9.247 -3.142 311 HB1 ALA 56 HB1 ALA 56 -1.931 -10.915 -4.559 312 HB2 ALA 56 HB2 ALA 56 -3.604 -10.729 -5.078 313 HB3 ALA 56 HB3 ALA 56 -3.154 -12.058 -4.010 314 H TYR 57 H TYR 57 -5.097 -11.394 -1.920 315 HA TYR 57 HA TYR 57 -7.260 -9.996 -3.193 316 HB2 TYR 57 HB2 TYR 57 -7.013 -12.276 -1.282 317 HB3 TYR 57 HB3 TYR 57 -8.581 -11.523 -1.554 318 HD1 TYR 57 HD2 TYR 57 -6.051 -11.728 -4.227 319 HD2 TYR 57 HD1 TYR 57 -9.528 -13.545 -2.539 320 HE1 TYR 57 HE2 TYR 57 -6.331 -13.067 -6.239 321 HE2 TYR 57 HE1 TYR 57 -9.799 -14.905 -4.572 322 HH TYR 57 HH TYR 57 -7.356 -15.225 -6.896 323 H ALA 58 H ALA 58 -5.764 -10.107 -0.011 324 HA ALA 58 HA ALA 58 -7.672 -8.443 1.302 325 HB1 ALA 58 HB1 ALA 58 -4.833 -9.000 2.152 326 HB2 ALA 58 HB2 ALA 58 -6.193 -10.101 2.417 327 HB3 ALA 58 HB3 ALA 58 -6.195 -8.508 3.168 328 H LEU 59 H LEU 59 -4.434 -7.932 0.008 329 HA LEU 59 HA LEU 59 -4.437 -5.137 0.790 330 HB2 LEU 59 HB2 LEU 59 -2.526 -7.196 0.431 331 HB3 LEU 59 HB3 LEU 59 -2.125 -5.919 -0.693 332 HG LEU 59 HG LEU 59 -1.717 -4.376 1.012 333 HD11 LEU 59 HD11 LEU 59 -3.327 -6.243 2.716 334 HD12 LEU 59 HD12 LEU 59 -3.659 -4.541 2.329 335 HD13 LEU 59 HD13 LEU 59 -2.325 -4.964 3.408 336 HD21 LEU 59 HD21 LEU 59 -0.905 -7.086 2.018 337 HD22 LEU 59 HD22 LEU 59 -0.215 -5.555 2.559 338 HD23 LEU 59 HD23 LEU 59 -0.002 -6.080 0.888 339 H GLY 60 H GLY 60 -4.623 -7.090 -2.095 340 HA2 GLY 60 HA3 GLY 60 -5.692 -6.079 -4.051 341 HA3 GLY 60 HA2 GLY 60 -4.784 -4.615 -3.691 342 H THR 61 H THR 61 -4.908 -6.960 -5.854 343 HA THR 61 HA THR 61 -2.322 -8.001 -6.010 344 HB THR 61 HB THR 61 -2.857 -8.341 -8.444 345 HG1 THR 61 HG1 THR 61 -4.288 -6.542 -8.696 346 HG21 THR 61 HG21 THR 61 -3.444 -9.903 -6.537 347 HG22 THR 61 HG22 THR 61 -4.418 -10.079 -8.000 348 HG23 THR 61 HG23 THR 61 -5.073 -9.227 -6.602 349 HA PRO 62 HA PRO 62 0.017 -4.442 -6.904 350 HB2 PRO 62 HB2 PRO 62 2.127 -6.226 -7.867 351 HB3 PRO 62 HB3 PRO 62 2.087 -5.225 -6.415 352 HG2 PRO 62 HG2 PRO 62 1.952 -7.922 -6.311 353 HG3 PRO 62 HG3 PRO 62 1.123 -6.881 -5.137 354 HD2 PRO 62 HD2 PRO 62 0.008 -8.288 -7.540 355 HD3 PRO 62 HD3 PRO 62 -0.685 -8.131 -5.912 356 H LEU 63 H LEU 63 1.296 -3.440 -8.559 357 HA LEU 63 HA LEU 63 -0.270 -2.976 -10.781 358 HB2 LEU 63 HB2 LEU 63 2.664 -2.360 -10.685 359 HB3 LEU 63 HB3 LEU 63 1.380 -1.430 -11.432 360 HG LEU 63 HG LEU 63 1.291 -1.795 -8.481 361 HD11 LEU 63 HD11 LEU 63 3.645 -1.273 -9.052 362 HD12 LEU 63 HD12 LEU 63 2.845 -0.017 -8.101 363 HD13 LEU 63 HD13 LEU 63 3.088 0.211 -9.835 364 HD21 LEU 63 HD21 LEU 63 -0.504 -0.624 -9.639 365 HD22 LEU 63 HD22 LEU 63 0.664 0.499 -10.337 366 HD23 LEU 63 HD23 LEU 63 0.394 0.478 -8.594 367 H MET 64 H MET 64 2.562 -5.001 -10.427 368 HA MET 64 HA MET 64 3.071 -5.479 -13.155 369 HB2 MET 64 HB2 MET 64 4.203 -7.584 -12.251 370 HB3 MET 64 HB3 MET 64 4.792 -6.033 -11.674 371 HG2 MET 64 HG2 MET 64 3.395 -6.318 -9.646 372 HG3 MET 64 HG3 MET 64 2.983 -7.942 -10.201 373 HE1 MET 64 HE1 MET 64 5.195 -8.783 -7.316 374 HE2 MET 64 HE2 MET 64 3.612 -8.136 -7.784 375 HE3 MET 64 HE3 MET 64 4.893 -7.045 -7.254 376 H SER 65 H SER 65 0.376 -6.288 -11.441 377 HA SER 65 HA SER 65 -1.483 -7.440 -11.922 378 HB2 SER 65 HB2 SER 65 -1.992 -8.016 -14.253 379 HB3 SER 65 HB3 SER 65 -1.306 -6.400 -14.121 380 HG SER 65 HG SER 65 0.721 -8.030 -14.482 381 H ASP 66 H ASP 66 1.348 -8.991 -11.657 382 HA ASP 66 HA ASP 66 -0.095 -11.523 -11.349 383 HB2 ASP 66 HB2 ASP 66 2.701 -11.275 -12.482 384 HB3 ASP 66 HB3 ASP 66 1.925 -12.777 -12.001 385 HA PRO 67 HA PRO 67 1.972 -10.474 -7.412 386 HB2 PRO 67 HB2 PRO 67 0.172 -11.858 -5.881 387 HB3 PRO 67 HB3 PRO 67 -0.062 -10.180 -6.380 388 HG2 PRO 67 HG2 PRO 67 -1.216 -12.686 -7.539 389 HG3 PRO 67 HG3 PRO 67 -2.003 -11.117 -7.260 390 HD2 PRO 67 HD2 PRO 67 -1.099 -11.899 -9.714 391 HD3 PRO 67 HD3 PRO 67 -1.118 -10.198 -9.195 392 H PHE 68 H PHE 68 0.717 -13.521 -8.667 393 HA PHE 68 HA PHE 68 2.270 -15.177 -6.900 394 HB2 PHE 68 HB2 PHE 68 0.063 -15.522 -8.675 395 HB3 PHE 68 HB3 PHE 68 1.323 -16.659 -9.144 396 HD1 PHE 68 HD2 PHE 68 -0.858 -15.575 -6.378 397 HD2 PHE 68 HD1 PHE 68 1.828 -18.547 -7.815 398 HE1 PHE 68 HE2 PHE 68 -1.532 -17.069 -4.544 399 HE2 PHE 68 HE1 PHE 68 1.154 -20.045 -5.986 400 HZ PHE 68 HZ PHE 68 -0.527 -19.309 -4.346 401 H GLY 69 H GLY 69 3.368 -13.272 -9.177 402 HA2 GLY 69 HA3 GLY 69 5.050 -15.212 -10.575 403 HA3 GLY 69 HA2 GLY 69 4.953 -13.488 -10.910 404 H THR 70 H THR 70 5.166 -12.956 -7.970 405 HA THR 70 HA THR 70 8.067 -13.396 -7.700 406 HB THR 70 HB THR 70 7.496 -11.048 -8.387 407 HG1 THR 70 HG1 THR 70 9.376 -11.000 -7.300 408 HG21 THR 70 HG21 THR 70 6.087 -11.096 -5.798 409 HG22 THR 70 HG22 THR 70 5.394 -10.755 -7.374 410 HG23 THR 70 HG23 THR 70 6.515 -9.611 -6.622 411 H ASN 71 H ASN 71 8.717 -12.735 -5.362 412 HA ASN 71 HA ASN 71 6.688 -13.634 -3.432 413 HB2 ASN 71 HB2 ASN 71 9.617 -14.412 -3.477 414 HB3 ASN 71 HB3 ASN 71 8.538 -14.715 -2.124 415 HD21 ASN 71 HD21 ASN 71 9.384 -15.601 -5.367 416 HD22 ASN 71 HD22 ASN 71 8.426 -17.037 -5.452 417 H THR 72 H THR 72 8.093 -11.069 -4.485 418 HA THR 72 HA THR 72 8.397 -9.853 -1.829 419 HB THR 72 HB THR 72 10.057 -9.123 -4.257 420 HG1 THR 72 HG1 THR 72 10.518 -10.852 -2.070 421 HG21 THR 72 HG21 THR 72 9.536 -7.344 -2.590 422 HG22 THR 72 HG22 THR 72 11.255 -7.700 -2.758 423 HG23 THR 72 HG23 THR 72 10.356 -8.320 -1.373 424 H TRP 73 H TRP 73 6.684 -8.544 -1.632 425 HA TRP 73 HA TRP 73 5.636 -7.244 -4.057 426 HB2 TRP 73 HB2 TRP 73 4.260 -7.956 -1.460 427 HB3 TRP 73 HB3 TRP 73 3.510 -7.013 -2.742 428 HD1 TRP 73 HD TRP 73 5.454 -9.479 -4.527 429 HE1 TRP 73 HE1 TRP 73 4.038 -11.529 -5.188 430 HE3 TRP 73 HE3 TRP 73 1.426 -8.680 -1.499 431 HZ2 TRP 73 HZ2 TRP 73 1.556 -12.648 -4.502 432 HZ3 TRP 73 HZ3 TRP 73 -0.424 -10.288 -1.565 433 HH2 TRP 73 HH TRP 73 -0.356 -12.232 -3.037 434 H PHE 74 H PHE 74 4.964 -5.037 -3.947 435 HA PHE 74 HA PHE 74 6.316 -3.557 -1.791 436 HB2 PHE 74 HB2 PHE 74 6.130 -2.549 -4.627 437 HB3 PHE 74 HB3 PHE 74 7.155 -1.952 -3.326 438 HD1 PHE 74 HD2 PHE 74 8.861 -3.760 -2.382 439 HD2 PHE 74 HD1 PHE 74 7.068 -3.863 -6.240 440 HE1 PHE 74 HE2 PHE 74 10.677 -5.219 -3.189 441 HE2 PHE 74 HE1 PHE 74 8.879 -5.318 -7.051 442 HZ PHE 74 HZ PHE 74 10.688 -5.994 -5.524 443 H TYR 75 H TYR 75 4.865 -2.568 -0.612 444 HA TYR 75 HA TYR 75 2.742 -1.029 -1.962 445 HB2 TYR 75 HB2 TYR 75 2.545 -2.417 0.718 446 HB3 TYR 75 HB3 TYR 75 1.300 -1.424 0.008 447 HD1 TYR 75 HD1 TYR 75 0.242 -2.232 -2.185 448 HD2 TYR 75 HD2 TYR 75 2.665 -4.665 0.306 449 HE1 TYR 75 HE1 TYR 75 -0.722 -4.236 -3.233 450 HE2 TYR 75 HE2 TYR 75 1.718 -6.695 -0.739 451 HH TYR 75 HH TYR 75 -0.540 -6.460 -3.462 452 H VAL 76 H VAL 76 1.946 0.742 -0.198 453 HA VAL 76 HA VAL 76 4.426 1.877 0.922 454 HB VAL 76 HB VAL 76 2.210 3.573 -0.235 455 HG11 VAL 76 HG11 VAL 76 5.088 4.132 0.474 456 HG12 VAL 76 HG12 VAL 76 3.643 4.789 1.249 457 HG13 VAL 76 HG13 VAL 76 4.051 5.255 -0.403 458 HG21 VAL 76 HG21 VAL 76 3.588 3.827 -2.253 459 HG22 VAL 76 HG22 VAL 76 3.040 2.165 -2.034 460 HG23 VAL 76 HG23 VAL 76 4.701 2.607 -1.635 461 H PHE 77 H PHE 77 3.845 3.712 2.542 462 HA PHE 77 HA PHE 77 2.068 2.473 4.490 463 HB2 PHE 77 HB2 PHE 77 4.605 3.641 4.649 464 HB3 PHE 77 HB3 PHE 77 3.530 4.764 5.473 465 HD1 PHE 77 HD2 PHE 77 3.377 1.083 5.245 466 HD2 PHE 77 HD1 PHE 77 3.955 4.471 7.739 467 HE1 PHE 77 HE2 PHE 77 3.375 -0.380 7.213 468 HE2 PHE 77 HE1 PHE 77 3.956 3.015 9.728 469 HZ PHE 77 HZ PHE 77 3.668 0.580 9.466 470 H ARG 78 H ARG 78 1.355 4.349 6.155 471 HA ARG 78 HA ARG 78 -0.594 5.909 4.646 472 HB2 ARG 78 HB2 ARG 78 -1.576 4.592 6.335 473 HB3 ARG 78 HB1 ARG 78 -0.327 4.995 7.499 474 HG2 ARG 78 HG2 ARG 78 -1.249 7.384 7.300 475 HG3 ARG 78 HG1 ARG 78 -2.673 6.607 6.617 476 HD2 ARG 78 HD2 ARG 78 -2.911 6.927 9.036 477 HD3 ARG 78 HD1 ARG 78 -2.884 5.214 8.613 478 HE ARG 78 HE ARG 78 -0.425 6.549 9.520 479 HH11 ARG 78 HH11 ARG 78 -2.932 4.138 10.029 480 HH12 ARG 78 HH12 ARG 78 -2.060 3.326 11.297 481 HH21 ARG 78 HH21 ARG 78 0.727 5.447 11.146 482 HH22 ARG 78 HH22 ARG 78 0.024 4.052 11.912 483 H GLN 79 H GLN 79 0.070 7.928 4.095 484 HA GLN 79 HA GLN 79 0.771 10.058 4.241 485 HB2 GLN 79 HB2 GLN 79 -1.096 10.133 5.774 486 HB3 GLN 79 HB3 GLN 79 -0.047 9.650 7.087 487 HG2 GLN 79 HG2 GLN 79 1.137 11.726 7.009 488 HG3 GLN 79 HG3 GLN 79 0.317 12.190 5.521 489 HE21 GLN 79 HE21 GLN 79 -1.302 10.655 8.209 490 HE22 GLN 79 HE22 GLN 79 -2.259 12.019 8.659 491 H GLN 80 H GLN 80 2.899 9.452 3.746 492 HA GLN 80 HA GLN 80 4.832 9.675 5.949 493 HB2 GLN 80 HB2 GLN 80 6.351 8.474 4.385 494 HB3 GLN 80 HB3 GLN 80 4.945 7.541 4.829 495 HG2 GLN 80 HG2 GLN 80 4.987 9.139 2.352 496 HG3 GLN 80 HG3 GLN 80 5.680 7.536 2.388 497 HE21 GLN 80 HE21 GLN 80 4.309 5.777 2.833 498 HE22 GLN 80 HE22 GLN 80 2.612 5.868 2.501 499 HA PRO 81 HA PRO 81 6.633 13.322 4.085 500 HB2 PRO 81 HB2 PRO 81 9.217 11.891 4.395 501 HB3 PRO 81 HB3 PRO 81 8.745 13.489 4.972 502 HG2 PRO 81 HG2 PRO 81 8.940 11.460 6.671 503 HG3 PRO 81 HG3 PRO 81 7.612 12.628 6.820 504 HD2 PRO 81 HD2 PRO 81 7.582 9.863 5.669 505 HD3 PRO 81 HD3 PRO 81 6.374 10.665 6.689 506 H GLY 82 H GLY 82 6.153 13.377 1.977 507 HA2 GLY 82 HA3 GLY 82 7.873 11.830 0.137 508 HA3 GLY 82 HA2 GLY 82 6.199 12.241 -0.222 509 H HIS 83 H HIS 83 6.903 13.276 -2.155 510 HA HIS 83 HA HIS 83 7.489 15.039 -3.451 511 HB2 HIS 83 HB2 HIS 83 7.208 16.472 -0.818 512 HB3 HIS 83 HB1 HIS 83 7.704 17.318 -2.277 513 HD1 HIS 83 HD1 HIS 83 5.889 18.227 -3.671 514 HD2 HIS 83 HD2 HIS 83 4.552 15.201 -1.148 515 HE1 HIS 83 HE1 HIS 83 3.386 18.164 -3.953 516 HE2 HIS 83 HE2 HIS 83 2.585 16.409 -2.324 517 H GLU 84 H GLU 84 9.221 16.194 -0.611 518 HA GLU 84 HA GLU 84 11.743 15.843 -2.086 519 HB2 GLU 84 HB2 GLU 84 10.989 17.964 -0.078 520 HB3 GLU 84 HB3 GLU 84 12.557 17.816 -0.856 521 HG2 GLU 84 HG2 GLU 84 11.691 18.394 -2.959 522 HG3 GLU 84 HG3 GLU 84 10.027 18.166 -2.419 523 H GLY 85 H GLY 85 13.364 14.773 -1.056 524 HA2 GLY 85 HA3 GLY 85 14.397 13.469 0.539 525 HA3 GLY 85 HA2 GLY 85 13.540 14.417 1.751 526 H VAL 86 H VAL 86 12.785 11.997 -0.743 527 HA VAL 86 HA VAL 86 10.416 11.113 0.526 528 HB VAL 86 HB VAL 86 12.063 9.539 -1.415 529 HG11 VAL 86 HG11 VAL 86 9.138 9.445 -0.734 530 HG12 VAL 86 HG12 VAL 86 10.356 8.226 -0.342 531 HG13 VAL 86 HG13 VAL 86 9.908 8.520 -2.025 532 HG21 VAL 86 HG21 VAL 86 9.970 11.629 -1.958 533 HG22 VAL 86 HG22 VAL 86 10.613 10.525 -3.174 534 HG23 VAL 86 HG23 VAL 86 11.678 11.701 -2.399 535 H THR 87 H THR 87 10.073 9.621 1.987 536 HA THR 87 HA THR 87 12.173 7.698 2.665 537 HB THR 87 HB THR 87 12.441 9.616 4.206 538 HG1 THR 87 HG1 THR 87 11.421 7.210 5.354 539 HG21 THR 87 HG21 THR 87 9.588 8.972 4.909 540 HG22 THR 87 HG22 THR 87 10.207 10.472 4.220 541 HG23 THR 87 HG23 THR 87 10.631 10.019 5.873 542 H GLN 88 H GLN 88 9.343 7.890 1.479 543 HA GLN 88 HA GLN 88 7.278 6.862 2.730 544 HB2 GLN 88 HB2 GLN 88 8.513 6.161 0.113 545 HB3 GLN 88 HB3 GLN 88 7.106 5.285 0.660 546 HG2 GLN 88 HG2 GLN 88 5.976 7.500 0.959 547 HG3 GLN 88 HG3 GLN 88 7.342 8.197 0.103 548 HE21 GLN 88 HE21 GLN 88 4.513 8.043 -0.586 549 HE22 GLN 88 HE22 GLN 88 4.440 7.280 -2.138 550 H GLN 89 H GLN 89 7.243 5.451 4.375 551 HA GLN 89 HA GLN 89 8.857 3.129 4.521 552 HB2 GLN 89 HB2 GLN 89 6.282 3.879 5.913 553 HB3 GLN 89 HB3 GLN 89 7.157 2.392 6.250 554 HG2 GLN 89 HG2 GLN 89 9.105 3.704 6.936 555 HG3 GLN 89 HG3 GLN 89 8.211 5.188 6.607 556 HE21 GLN 89 HE21 GLN 89 6.573 5.825 7.998 557 HE22 GLN 89 HE22 GLN 89 6.363 5.120 9.566 558 H THR 90 H THR 90 8.771 1.714 2.909 559 HA THR 90 HA THR 90 6.250 1.106 1.630 560 HB THR 90 HB THR 90 7.762 -0.398 0.220 561 HG1 THR 90 HG1 THR 90 9.992 0.209 0.309 562 HG21 THR 90 HG21 THR 90 8.861 1.855 -0.698 563 HG22 THR 90 HG22 THR 90 7.606 2.536 0.328 564 HG23 THR 90 HG23 THR 90 7.180 1.415 -0.969 565 H LEU 91 H LEU 91 5.241 -0.813 1.676 566 HA LEU 91 HA LEU 91 6.057 -2.701 3.741 567 HB2 LEU 91 HB2 LEU 91 3.660 -1.982 3.539 568 HB3 LEU 91 HB3 LEU 91 3.612 -2.794 1.988 569 HG LEU 91 HG LEU 91 4.335 -4.894 3.239 570 HD11 LEU 91 HD11 LEU 91 3.539 -4.877 5.623 571 HD12 LEU 91 HD12 LEU 91 3.565 -3.108 5.522 572 HD13 LEU 91 HD13 LEU 91 5.056 -4.027 5.297 573 HD21 LEU 91 HD21 LEU 91 2.056 -5.405 4.004 574 HD22 LEU 91 HD22 LEU 91 2.113 -4.726 2.370 575 HD23 LEU 91 HD23 LEU 91 1.611 -3.714 3.727 576 H THR 92 H THR 92 7.560 -4.040 3.097 577 HA THR 92 HA THR 92 7.489 -5.076 0.349 578 HB THR 92 HB THR 92 9.746 -5.236 2.360 579 HG1 THR 92 HG1 THR 92 8.888 -3.192 0.806 580 HG21 THR 92 HG21 THR 92 9.724 -6.983 0.601 581 HG22 THR 92 HG22 THR 92 11.101 -5.888 0.460 582 HG23 THR 92 HG23 THR 92 9.719 -5.711 -0.623 583 H LEU 93 H LEU 93 6.263 -6.845 0.314 584 HA LEU 93 HA LEU 93 6.043 -8.412 2.730 585 HB2 LEU 93 HB2 LEU 93 4.164 -7.763 0.979 586 HB3 LEU 93 HB3 LEU 93 4.695 -9.259 0.218 587 HG LEU 93 HG LEU 93 4.314 -10.392 2.399 588 HD11 LEU 93 HD11 LEU 93 2.619 -8.881 3.768 589 HD12 LEU 93 HD12 LEU 93 3.636 -7.610 3.103 590 HD13 LEU 93 HD13 LEU 93 4.349 -8.891 4.085 591 HD21 LEU 93 HD21 LEU 93 1.812 -9.042 1.574 592 HD22 LEU 93 HD22 LEU 93 2.077 -10.718 2.037 593 HD23 LEU 93 HD23 LEU 93 2.629 -10.130 0.464 594 H THR 94 H THR 94 7.085 -10.237 3.146 595 HA THR 94 HA THR 94 8.755 -11.322 1.031 596 HB THR 94 HB THR 94 9.045 -11.258 4.029 597 HG1 THR 94 HG1 THR 94 10.211 -9.560 3.548 598 HG21 THR 94 HG21 THR 94 9.702 -13.416 3.170 599 HG22 THR 94 HG22 THR 94 11.106 -12.505 3.731 600 HG23 THR 94 HG23 THR 94 10.772 -12.651 2.000 601 H PHE 95 H PHE 95 8.168 -13.183 0.231 602 HA PHE 95 HA PHE 95 6.637 -15.074 1.888 603 HB2 PHE 95 HB2 PHE 95 6.750 -14.760 -1.119 604 HB3 PHE 95 HB3 PHE 95 5.982 -16.123 -0.315 605 HD1 PHE 95 HD2 PHE 95 3.990 -15.791 1.014 606 HD2 PHE 95 HD1 PHE 95 5.693 -12.606 -1.210 607 HE1 PHE 95 HE2 PHE 95 1.896 -14.545 1.235 608 HE2 PHE 95 HE1 PHE 95 3.592 -11.339 -0.996 609 HZ PHE 95 HZ PHE 95 1.691 -12.323 0.236 610 H ASN 96 H ASN 96 7.253 -17.257 1.894 611 HA ASN 96 HA ASN 96 10.086 -17.585 1.796 612 HB2 ASN 96 HB2 ASN 96 9.440 -20.049 2.342 613 HB3 ASN 96 HB3 ASN 96 9.174 -18.790 3.530 614 HD21 ASN 96 HD21 ASN 96 7.588 -19.849 4.609 615 HD22 ASN 96 HD22 ASN 96 6.018 -20.135 3.952 616 H SER 97 H SER 97 7.997 -20.081 0.467 617 HA SER 97 HA SER 97 9.125 -19.742 -2.188 618 HB2 SER 97 HB2 SER 97 9.603 -22.253 -0.565 619 HB3 SER 97 HB3 SER 97 9.982 -22.061 -2.277 620 HG SER 97 HG SER 97 11.041 -20.021 -0.888 621 H SER 98 H SER 98 6.951 -21.360 0.031 622 HA SER 98 HA SER 98 5.446 -22.620 -2.086 623 HB2 SER 98 HB2 SER 98 5.669 -23.574 0.240 624 HB3 SER 98 HB3 SER 98 4.667 -22.244 0.820 625 HG SER 98 HG SER 98 3.703 -23.776 -1.312 626 H GLY 99 H GLY 99 5.770 -19.535 -0.972 627 HA2 GLY 99 HA3 GLY 99 4.614 -17.654 -1.770 628 HA3 GLY 99 HA2 GLY 99 3.274 -18.698 -2.227 629 H VAL 100 H VAL 100 4.834 -18.861 0.834 630 HA VAL 100 HA VAL 100 2.360 -17.979 2.152 631 HB VAL 100 HB VAL 100 4.599 -19.659 3.279 632 HG11 VAL 100 HG11 VAL 100 1.788 -19.213 4.277 633 HG12 VAL 100 HG12 VAL 100 3.249 -18.493 4.955 634 HG13 VAL 100 HG13 VAL 100 3.008 -20.239 5.031 635 HG21 VAL 100 HG21 VAL 100 2.008 -20.541 2.030 636 HG22 VAL 100 HG22 VAL 100 3.055 -21.585 2.995 637 HG23 VAL 100 HG23 VAL 100 3.649 -20.904 1.477 638 H LEU 101 H LEU 101 2.452 -16.302 3.587 639 HA LEU 101 HA LEU 101 4.583 -14.506 3.538 640 HB2 LEU 101 HB2 LEU 101 2.073 -14.810 5.041 641 HB3 LEU 101 HB3 LEU 101 3.304 -13.818 5.797 642 HG LEU 101 HG LEU 101 2.167 -13.412 3.052 643 HD11 LEU 101 HD11 LEU 101 1.868 -11.829 5.582 644 HD12 LEU 101 HD12 LEU 101 0.620 -12.851 4.867 645 HD13 LEU 101 HD13 LEU 101 1.177 -11.408 4.016 646 HD21 LEU 101 HD21 LEU 101 4.140 -11.779 4.605 647 HD22 LEU 101 HD22 LEU 101 3.460 -11.360 3.032 648 HD23 LEU 101 HD23 LEU 101 4.514 -12.772 3.201 649 H THR 102 H THR 102 6.372 -14.340 4.589 650 HA THR 102 HA THR 102 6.743 -15.930 7.043 651 HB THR 102 HB THR 102 9.051 -16.131 6.576 652 HG1 THR 102 HG1 THR 102 9.993 -14.405 5.756 653 HG21 THR 102 HG21 THR 102 7.427 -17.360 5.039 654 HG22 THR 102 HG22 THR 102 9.104 -17.237 4.502 655 HG23 THR 102 HG23 THR 102 7.874 -16.168 3.821 656 H ASN 103 H ASN 103 7.236 -12.821 5.485 657 HA ASN 103 HA ASN 103 7.175 -11.565 8.117 658 HB2 ASN 103 HB2 ASN 103 9.595 -11.998 7.576 659 HB3 ASN 103 HB3 ASN 103 9.406 -10.921 6.194 660 HD21 ASN 103 HD21 ASN 103 10.796 -9.371 6.887 661 HD22 ASN 103 HD22 ASN 103 10.498 -8.360 8.265 662 H ILE 104 H ILE 104 6.647 -9.393 8.105 663 HA ILE 104 HA ILE 104 5.720 -8.294 5.524 664 HB ILE 104 HB ILE 104 4.861 -7.168 8.164 665 HG12 ILE 104 HG12 ILE 104 4.432 -9.638 8.280 666 HG13 ILE 104 HG13 ILE 104 2.991 -8.640 8.403 667 HG21 ILE 104 HG21 ILE 104 3.535 -7.333 5.462 668 HG22 ILE 104 HG22 ILE 104 4.298 -5.929 6.193 669 HG23 ILE 104 HG23 ILE 104 2.825 -6.598 6.898 670 HD11 ILE 104 HD11 ILE 104 2.599 -9.110 5.969 671 HD12 ILE 104 HD12 ILE 104 2.453 -10.492 7.058 672 HD13 ILE 104 HD13 ILE 104 3.905 -10.295 6.073 673 H ASP 105 H ASP 105 7.644 -7.236 4.926 674 HA ASP 105 HA ASP 105 9.223 -5.870 6.911 675 HB2 ASP 105 HB2 ASP 105 9.478 -6.298 3.949 676 HB3 ASP 105 HB3 ASP 105 10.519 -5.162 4.785 677 H ASN 106 H ASN 106 8.069 -4.115 7.682 678 HA ASN 106 HA ASN 106 7.424 -2.067 5.698 679 HB2 ASN 106 HB2 ASN 106 6.119 -1.009 7.578 680 HB3 ASN 106 HB3 ASN 106 5.489 -2.527 6.981 681 HD21 ASN 106 HD21 ASN 106 5.674 -4.376 8.284 682 HD22 ASN 106 HD22 ASN 106 5.952 -4.258 9.986 683 H LYS 107 H LYS 107 9.093 -0.877 5.361 684 HA LYS 107 HA LYS 107 10.438 0.466 7.566 685 HB2 LYS 107 HB2 LYS 107 12.617 -0.242 6.969 686 HB3 LYS 107 HB1 LYS 107 11.654 -1.707 6.931 687 HG2 LYS 107 HG2 LYS 107 12.235 -0.086 4.507 688 HG3 LYS 107 HG1 LYS 107 13.267 -1.410 5.038 689 HD2 LYS 107 HD2 LYS 107 11.339 -2.934 4.869 690 HD3 LYS 107 HD1 LYS 107 10.345 -1.594 4.296 691 HE2 LYS 107 HE2 LYS 107 12.830 -2.606 2.939 692 HE3 LYS 107 HE1 LYS 107 11.186 -3.039 2.473 693 HZ1 LYS 107 HZ1 LYS 107 12.414 -0.337 2.387 694 HZ2 LYS 107 HZ2 LYS 107 10.776 -0.647 2.076 695 HZ3 LYS 107 HZ3 LYS 107 11.972 -1.298 1.065 696 HA PRO 108 HA PRO 108 10.334 3.816 4.794 697 HB2 PRO 108 HB2 PRO 108 12.604 5.201 5.265 698 HB3 PRO 108 HB3 PRO 108 11.298 5.077 6.441 699 HG2 PRO 108 HG2 PRO 108 13.918 3.688 6.358 700 HG3 PRO 108 HG3 PRO 108 12.973 4.219 7.757 701 HD2 PRO 108 HD2 PRO 108 13.108 1.617 6.779 702 HD3 PRO 108 HD3 PRO 108 11.864 2.239 7.865 703 H ALA 109 H ALA 109 11.061 4.819 2.888 704 HA ALA 109 HA ALA 109 12.532 3.102 1.136 705 HB1 ALA 109 HB1 ALA 109 11.442 5.849 0.584 706 HB2 ALA 109 HB2 ALA 109 10.568 4.328 0.385 707 HB3 ALA 109 HB3 ALA 109 11.995 4.659 -0.603 708 H LEU 110 H LEU 110 13.971 4.436 -0.479 709 HA LEU 110 HA LEU 110 16.343 4.830 1.081 710 HB2 LEU 110 HB2 LEU 110 16.138 5.209 -1.889 711 HB3 LEU 110 HB3 LEU 110 17.502 4.629 -0.950 712 HG LEU 110 HG LEU 110 14.925 3.092 -1.289 713 HD11 LEU 110 HD11 LEU 110 16.356 1.645 -2.785 714 HD12 LEU 110 HD12 LEU 110 17.496 2.992 -2.849 715 HD13 LEU 110 HD13 LEU 110 15.850 3.197 -3.453 716 HD21 LEU 110 HD21 LEU 110 16.107 2.407 0.678 717 HD22 LEU 110 HD22 LEU 110 17.637 2.348 -0.200 718 HD23 LEU 110 HD23 LEU 110 16.361 1.188 -0.575 719 H SER 111 H SER 111 15.770 6.722 -1.791 720 HA SER 111 HA SER 111 15.117 9.208 -0.787 721 HB2 SER 111 HB2 SER 111 17.324 8.862 0.448 722 HB3 SER 111 HB3 SER 111 18.116 8.962 -1.121 723 HG SER 111 HG SER 111 18.126 11.023 -0.695 724 H GLY 112 H GLY 112 15.102 10.758 -2.466 725 HA2 GLY 112 HA3 GLY 112 15.470 11.603 -4.593 726 HA3 GLY 112 HA2 GLY 112 16.497 10.221 -4.939 727 H ASN 113 H ASN 113 14.039 11.665 -6.174 728 HA ASN 113 HA ASN 113 12.596 9.183 -6.827 729 HB2 ASN 113 HB2 ASN 113 11.161 10.799 -5.642 730 HB3 ASN 113 HB3 ASN 113 11.529 12.018 -6.858 731 HD21 ASN 113 HD21 ASN 113 9.875 9.030 -6.200 732 HD22 ASN 113 HD22 ASN 113 8.837 9.068 -7.587 Start of MODEL 11 1 H1 GLY 17 H1 GLY 17 -20.556 5.098 17.999 2 H2 GLY 17 H2 GLY 17 -19.059 5.370 18.744 3 H3 GLY 17 H3 GLY 17 -20.315 6.495 18.932 4 HA2 GLY 17 HA2 GLY 17 -20.066 5.173 20.925 5 HA3 GLY 17 HA3 GLY 17 -21.623 4.894 20.157 6 H SER 18 H SER 18 -19.035 3.423 21.564 7 HA SER 18 HA SER 18 -19.148 1.011 19.912 8 HB2 SER 18 HB2 SER 18 -17.370 1.658 22.276 9 HB3 SER 18 HB3 SER 18 -17.201 0.279 21.191 10 HG SER 18 HG SER 18 -17.281 2.703 19.891 11 H HIS 19 H HIS 19 -20.884 2.239 22.401 12 HA HIS 19 HA HIS 19 -21.039 -0.205 23.971 13 HB2 HIS 19 HB2 HIS 19 -22.260 2.529 24.262 14 HB3 HIS 19 HB1 HIS 19 -22.871 1.166 25.193 15 HD1 HIS 19 HD1 HIS 19 -21.788 0.830 27.385 16 HD2 HIS 19 HD2 HIS 19 -19.331 2.899 24.740 17 HE1 HIS 19 HE1 HIS 19 -19.743 1.460 28.708 18 HE2 HIS 19 HE2 HIS 19 -18.192 2.527 27.035 19 H MET 20 H MET 20 -23.458 1.884 22.382 20 HA MET 20 HA MET 20 -25.156 -0.504 22.122 21 HB2 MET 20 HB2 MET 20 -25.889 2.424 22.248 22 HB3 MET 20 HB3 MET 20 -27.040 1.145 21.882 23 HG2 MET 20 HG2 MET 20 -26.640 0.129 24.047 24 HG3 MET 20 HG3 MET 20 -25.431 1.357 24.418 25 HE1 MET 20 HE1 MET 20 -26.719 4.028 23.336 26 HE2 MET 20 HE2 MET 20 -25.940 3.843 24.906 27 HE3 MET 20 HE3 MET 20 -27.535 4.588 24.797 28 H SER 21 H SER 21 -23.011 0.362 20.237 29 HA SER 21 HA SER 21 -24.526 -0.163 17.860 30 HB2 SER 21 HB2 SER 21 -24.644 2.390 18.255 31 HB3 SER 21 HB3 SER 21 -22.939 2.400 17.808 32 HG SER 21 HG SER 21 -24.963 1.232 16.188 33 H THR 22 H THR 22 -22.553 -1.566 19.210 34 HA THR 22 HA THR 22 -20.112 -1.204 17.647 35 HB THR 22 HB THR 22 -19.753 -1.521 20.023 36 HG1 THR 22 HG1 THR 22 -18.610 -3.743 19.768 37 HG21 THR 22 HG21 THR 22 -21.177 -4.168 19.721 38 HG22 THR 22 HG22 THR 22 -21.795 -2.751 20.571 39 HG23 THR 22 HG23 THR 22 -20.365 -3.588 21.174 40 H LEU 23 H LEU 23 -19.739 -2.343 15.884 41 HA LEU 23 HA LEU 23 -19.980 -3.836 14.177 42 HB2 LEU 23 HB2 LEU 23 -20.527 -5.710 16.478 43 HB3 LEU 23 HB3 LEU 23 -20.249 -6.227 14.826 44 HG LEU 23 HG LEU 23 -18.246 -4.763 16.553 45 HD11 LEU 23 HD11 LEU 23 -17.049 -6.893 16.584 46 HD12 LEU 23 HD12 LEU 23 -18.362 -7.649 15.684 47 HD13 LEU 23 HD13 LEU 23 -18.644 -7.049 17.319 48 HD21 LEU 23 HD21 LEU 23 -17.970 -5.984 13.806 49 HD22 LEU 23 HD22 LEU 23 -16.670 -5.262 14.755 50 HD23 LEU 23 HD23 LEU 23 -17.998 -4.258 14.171 51 H GLU 24 H GLU 24 -22.189 -2.267 14.703 52 HA GLU 24 HA GLU 24 -24.584 -3.709 15.073 53 HB2 GLU 24 HB2 GLU 24 -24.260 -1.257 15.472 54 HB3 GLU 24 HB3 GLU 24 -24.245 -1.028 13.730 55 HG2 GLU 24 HG2 GLU 24 -26.525 -1.961 13.618 56 HG3 GLU 24 HG3 GLU 24 -26.531 -2.081 15.378 57 H ARG 25 H ARG 25 -23.588 -1.985 12.105 58 HA ARG 25 HA ARG 25 -24.982 -4.087 10.580 59 HB2 ARG 25 HB2 ARG 25 -25.609 -2.448 8.953 60 HB3 ARG 25 HB1 ARG 25 -26.034 -1.813 10.535 61 HG2 ARG 25 HG2 ARG 25 -23.880 -0.516 10.473 62 HG3 ARG 25 HG1 ARG 25 -23.730 -1.008 8.785 63 HD2 ARG 25 HD2 ARG 25 -26.121 -0.060 8.544 64 HD3 ARG 25 HD1 ARG 25 -25.777 0.764 10.065 65 HE ARG 25 HE ARG 25 -24.324 1.165 7.526 66 HH11 ARG 25 HH11 ARG 25 -25.107 2.215 10.775 67 HH12 ARG 25 HH12 ARG 25 -24.535 3.837 10.523 68 HH21 ARG 25 HH21 ARG 25 -23.585 3.307 7.193 69 HH22 ARG 25 HH22 ARG 25 -23.703 4.462 8.486 70 H VAL 26 H VAL 26 -22.064 -2.309 10.996 71 HA VAL 26 HA VAL 26 -20.508 -4.024 9.403 72 HB VAL 26 HB VAL 26 -21.683 -2.754 7.579 73 HG11 VAL 26 HG11 VAL 26 -21.072 -0.435 7.151 74 HG12 VAL 26 HG12 VAL 26 -20.136 -0.402 8.647 75 HG13 VAL 26 HG13 VAL 26 -21.887 -0.612 8.705 76 HG21 VAL 26 HG21 VAL 26 -19.659 -2.247 6.276 77 HG22 VAL 26 HG22 VAL 26 -19.547 -3.787 7.128 78 HG23 VAL 26 HG23 VAL 26 -18.700 -2.371 7.751 79 H VAL 27 H VAL 27 -18.187 -3.133 9.279 80 HA VAL 27 HA VAL 27 -17.526 -2.011 11.814 81 HB VAL 27 HB VAL 27 -16.200 -3.689 10.258 82 HG11 VAL 27 HG11 VAL 27 -15.844 -2.178 8.407 83 HG12 VAL 27 HG12 VAL 27 -14.299 -2.606 9.141 84 HG13 VAL 27 HG13 VAL 27 -15.022 -1.026 9.469 85 HG21 VAL 27 HG21 VAL 27 -15.639 -3.015 12.576 86 HG22 VAL 27 HG22 VAL 27 -14.713 -1.664 11.919 87 HG23 VAL 27 HG23 VAL 27 -14.231 -3.321 11.561 88 H TYR 28 H TYR 28 -15.697 -0.212 11.734 89 HA TYR 28 HA TYR 28 -16.897 2.208 11.013 90 HB2 TYR 28 HB2 TYR 28 -14.033 1.546 11.700 91 HB3 TYR 28 HB3 TYR 28 -14.674 3.176 11.576 92 HD1 TYR 28 HD2 TYR 28 -16.544 3.853 13.132 93 HD2 TYR 28 HD1 TYR 28 -14.265 0.308 13.690 94 HE1 TYR 28 HE2 TYR 28 -17.285 3.754 15.473 95 HE2 TYR 28 HE1 TYR 28 -15.000 0.198 16.036 96 HH TYR 28 HH TYR 28 -15.856 1.717 17.775 97 H ARG 29 H ARG 29 -15.940 3.879 9.604 98 HA ARG 29 HA ARG 29 -14.981 2.683 7.093 99 HB2 ARG 29 HB2 ARG 29 -17.219 3.624 6.886 100 HB3 ARG 29 HB1 ARG 29 -16.660 5.157 7.538 101 HG2 ARG 29 HG2 ARG 29 -15.269 5.522 5.596 102 HG3 ARG 29 HG1 ARG 29 -15.717 3.942 4.947 103 HD2 ARG 29 HD2 ARG 29 -17.636 6.209 5.496 104 HD3 ARG 29 HD1 ARG 29 -16.980 5.798 3.910 105 HE ARG 29 HE ARG 29 -18.077 3.517 4.396 106 HH11 ARG 29 HH11 ARG 29 -19.376 6.626 5.384 107 HH12 ARG 29 HH12 ARG 29 -21.026 6.074 5.364 108 HH21 ARG 29 HH21 ARG 29 -20.233 2.811 4.363 109 HH22 ARG 29 HH22 ARG 29 -21.515 3.904 4.789 110 HA PRO 30 HA PRO 30 -11.232 5.040 8.118 111 HB2 PRO 30 HB2 PRO 30 -10.530 3.802 5.512 112 HB3 PRO 30 HB3 PRO 30 -9.634 3.828 7.030 113 HG2 PRO 30 HG2 PRO 30 -10.855 1.618 6.218 114 HG3 PRO 30 HG3 PRO 30 -10.816 2.077 7.927 115 HD2 PRO 30 HD2 PRO 30 -13.041 2.291 5.971 116 HD3 PRO 30 HD3 PRO 30 -13.077 1.884 7.693 117 H ASP 31 H ASP 31 -10.277 6.883 7.154 118 HA ASP 31 HA ASP 31 -11.676 7.903 4.761 119 HB2 ASP 31 HB2 ASP 31 -12.526 8.998 6.827 120 HB3 ASP 31 HB3 ASP 31 -10.881 9.537 7.145 121 H ILE 32 H ILE 32 -9.754 7.022 3.761 122 HA ILE 32 HA ILE 32 -7.302 8.490 4.043 123 HB ILE 32 HB ILE 32 -8.152 6.537 1.899 124 HG12 ILE 32 HG12 ILE 32 -8.080 5.633 4.214 125 HG13 ILE 32 HG13 ILE 32 -6.883 4.911 3.152 126 HG21 ILE 32 HG21 ILE 32 -5.643 6.349 1.619 127 HG22 ILE 32 HG22 ILE 32 -5.531 7.873 2.513 128 HG23 ILE 32 HG23 ILE 32 -6.408 7.803 0.977 129 HD11 ILE 32 HD11 ILE 32 -6.104 5.486 5.447 130 HD12 ILE 32 HD12 ILE 32 -6.261 7.180 5.007 131 HD13 ILE 32 HD13 ILE 32 -5.126 6.144 4.138 132 H ASN 33 H ASN 33 -6.459 9.964 2.629 133 HA ASN 33 HA ASN 33 -8.271 11.648 1.226 134 HB2 ASN 33 HB2 ASN 33 -6.299 12.974 0.711 135 HB3 ASN 33 HB3 ASN 33 -6.276 12.449 2.385 136 HD21 ASN 33 HD21 ASN 33 -4.123 12.754 2.623 137 HD22 ASN 33 HD22 ASN 33 -2.938 11.720 1.895 138 H GLN 34 H GLN 34 -6.988 8.755 0.416 139 HA GLN 34 HA GLN 34 -7.560 9.169 -2.400 140 HB2 GLN 34 HB2 GLN 34 -5.566 7.942 -3.117 141 HB3 GLN 34 HB3 GLN 34 -5.112 9.388 -2.231 142 HG2 GLN 34 HG2 GLN 34 -4.428 8.189 -0.373 143 HG3 GLN 34 HG3 GLN 34 -5.318 6.744 -0.863 144 HE21 GLN 34 HE21 GLN 34 -2.494 7.253 -0.206 145 HE22 GLN 34 HE22 GLN 34 -1.592 6.658 -1.546 146 H GLY 35 H GLY 35 -7.270 6.875 -3.489 147 HA2 GLY 35 HA3 GLY 35 -7.644 4.592 -1.804 148 HA3 GLY 35 HA2 GLY 35 -9.127 5.066 -2.639 149 H ASN 36 H ASN 36 -5.740 5.153 -3.617 150 HA ASN 36 HA ASN 36 -6.541 3.995 -6.184 151 HB2 ASN 36 HB2 ASN 36 -4.035 5.541 -5.470 152 HB3 ASN 36 HB3 ASN 36 -4.475 4.987 -7.077 153 HD21 ASN 36 HD21 ASN 36 -4.430 7.035 -7.906 154 HD22 ASN 36 HD22 ASN 36 -5.642 8.207 -7.541 155 H TYR 37 H TYR 37 -3.624 3.965 -4.143 156 HA TYR 37 HA TYR 37 -3.354 1.116 -4.750 157 HB2 TYR 37 HB2 TYR 37 -0.921 1.502 -4.099 158 HB3 TYR 37 HB3 TYR 37 -1.443 2.209 -5.617 159 HD1 TYR 37 HD2 TYR 37 -0.883 3.038 -2.037 160 HD2 TYR 37 HD1 TYR 37 -1.083 4.478 -6.030 161 HE1 TYR 37 HE2 TYR 37 -0.057 5.219 -1.277 162 HE2 TYR 37 HE1 TYR 37 -0.249 6.671 -5.289 163 HH TYR 37 HH TYR 37 1.282 7.208 -2.487 164 H LEU 38 H LEU 38 -1.510 0.522 -2.697 165 HA LEU 38 HA LEU 38 -3.402 0.163 -0.565 166 HB2 LEU 38 HB2 LEU 38 -1.701 -1.536 -1.392 167 HB3 LEU 38 HB3 LEU 38 -0.494 -0.612 -0.519 168 HG LEU 38 HG LEU 38 -2.238 -0.969 1.461 169 HD11 LEU 38 HD11 LEU 38 -3.905 -2.142 0.291 170 HD12 LEU 38 HD12 LEU 38 -3.057 -3.358 1.245 171 HD13 LEU 38 HD13 LEU 38 -2.732 -3.196 -0.482 172 HD21 LEU 38 HD21 LEU 38 0.099 -1.626 1.530 173 HD22 LEU 38 HD22 LEU 38 -0.256 -3.041 0.538 174 HD23 LEU 38 HD23 LEU 38 -0.929 -2.911 2.163 175 H THR 39 H THR 39 -3.129 0.809 1.579 176 HA THR 39 HA THR 39 -1.116 2.875 2.092 177 HB THR 39 HB THR 39 -2.643 4.172 3.398 178 HG1 THR 39 HG1 THR 39 -4.610 2.156 2.835 179 HG21 THR 39 HG21 THR 39 -2.727 4.093 0.764 180 HG22 THR 39 HG22 THR 39 -3.830 5.111 1.694 181 HG23 THR 39 HG23 THR 39 -4.379 3.554 1.070 182 H ALA 40 H ALA 40 -1.438 3.316 4.720 183 HA ALA 40 HA ALA 40 -0.166 1.039 5.866 184 HB1 ALA 40 HB1 ALA 40 -1.304 3.472 7.246 185 HB2 ALA 40 HB2 ALA 40 0.325 3.330 6.581 186 HB3 ALA 40 HB3 ALA 40 -0.163 2.316 7.938 187 H ASN 41 H ASN 41 -3.386 2.383 6.046 188 HA ASN 41 HA ASN 41 -4.419 0.808 8.124 189 HB2 ASN 41 HB2 ASN 41 -5.791 2.081 5.755 190 HB3 ASN 41 HB3 ASN 41 -6.618 1.420 7.142 191 HD21 ASN 41 HD21 ASN 41 -4.821 3.985 5.890 192 HD22 ASN 41 HD22 ASN 41 -4.943 5.043 7.249 193 H ASP 42 H ASP 42 -4.322 0.375 4.643 194 HA ASP 42 HA ASP 42 -5.774 -2.029 4.510 195 HB2 ASP 42 HB2 ASP 42 -3.583 -1.025 2.690 196 HB3 ASP 42 HB3 ASP 42 -4.678 -2.349 2.316 197 H VAL 43 H VAL 43 -2.361 -1.345 5.036 198 HA VAL 43 HA VAL 43 -1.358 -3.952 4.894 199 HB VAL 43 HB VAL 43 -0.432 -1.625 6.587 200 HG11 VAL 43 HG11 VAL 43 0.974 -4.212 5.988 201 HG12 VAL 43 HG12 VAL 43 0.333 -3.726 7.563 202 HG13 VAL 43 HG13 VAL 43 1.677 -2.831 6.839 203 HG21 VAL 43 HG21 VAL 43 0.888 -2.747 4.179 204 HG22 VAL 43 HG22 VAL 43 1.094 -1.152 4.902 205 HG23 VAL 43 HG23 VAL 43 -0.391 -1.545 4.029 206 H SER 44 H SER 44 -2.905 -2.208 7.511 207 HA SER 44 HA SER 44 -2.457 -4.054 9.564 208 HB2 SER 44 HB2 SER 44 -3.227 -1.724 9.851 209 HB3 SER 44 HB3 SER 44 -4.820 -2.202 9.273 210 HG SER 44 HG SER 44 -3.469 -3.207 11.562 211 H LYS 45 H LYS 45 -4.572 -4.141 6.860 212 HA LYS 45 HA LYS 45 -6.532 -5.909 7.888 213 HB2 LYS 45 HB2 LYS 45 -5.681 -5.354 5.064 214 HB3 LYS 45 HB1 LYS 45 -7.084 -6.311 5.511 215 HG2 LYS 45 HG2 LYS 45 -8.104 -4.392 6.561 216 HG3 LYS 45 HG1 LYS 45 -6.671 -3.417 6.222 217 HD2 LYS 45 HD2 LYS 45 -8.406 -2.978 4.572 218 HD3 LYS 45 HD1 LYS 45 -7.023 -3.777 3.818 219 HE2 LYS 45 HE2 LYS 45 -8.272 -5.952 4.214 220 HE3 LYS 45 HE1 LYS 45 -9.685 -4.955 4.553 221 HZ1 LYS 45 HZ1 LYS 45 -8.187 -5.164 2.004 222 HZ2 LYS 45 HZ2 LYS 45 -9.268 -3.900 2.314 223 HZ3 LYS 45 HZ3 LYS 45 -9.826 -5.503 2.285 224 H ILE 46 H ILE 46 -3.396 -6.418 6.351 225 HA ILE 46 HA ILE 46 -3.920 -9.253 6.151 226 HB ILE 46 HB ILE 46 -1.699 -9.472 5.178 227 HG12 ILE 46 HG12 ILE 46 -1.502 -6.456 5.235 228 HG13 ILE 46 HG13 ILE 46 -0.667 -7.513 6.374 229 HG21 ILE 46 HG21 ILE 46 -2.211 -8.447 3.079 230 HG22 ILE 46 HG22 ILE 46 -3.332 -7.330 3.860 231 HG23 ILE 46 HG23 ILE 46 -3.682 -9.059 3.829 232 HD11 ILE 46 HD11 ILE 46 -0.347 -7.948 3.438 233 HD12 ILE 46 HD12 ILE 46 0.754 -8.344 4.770 234 HD13 ILE 46 HD13 ILE 46 0.563 -6.664 4.258 235 H ARG 47 H ARG 47 -1.763 -10.522 6.606 236 HA ARG 47 HA ARG 47 -0.389 -9.995 9.003 237 HB2 ARG 47 HB2 ARG 47 -1.500 -11.621 10.484 238 HB3 ARG 47 HB1 ARG 47 -2.587 -10.312 10.045 239 HG2 ARG 47 HG2 ARG 47 -2.635 -12.835 8.460 240 HG3 ARG 47 HG1 ARG 47 -3.426 -12.777 10.042 241 HD2 ARG 47 HD2 ARG 47 -3.984 -11.049 7.634 242 HD3 ARG 47 HD1 ARG 47 -5.056 -12.255 8.354 243 HE ARG 47 HE ARG 47 -4.258 -9.774 9.749 244 HH11 ARG 47 HH11 ARG 47 -6.694 -12.127 8.836 245 HH12 ARG 47 HH12 ARG 47 -7.973 -11.305 9.683 246 HH21 ARG 47 HH21 ARG 47 -5.940 -8.689 10.829 247 HH22 ARG 47 HH22 ARG 47 -7.553 -9.337 10.784 248 H VAL 48 H VAL 48 1.057 -11.623 9.522 249 HA VAL 48 HA VAL 48 1.890 -13.184 7.306 250 HB VAL 48 HB VAL 48 2.956 -13.775 9.990 251 HG11 VAL 48 HG11 VAL 48 4.232 -13.078 7.355 252 HG12 VAL 48 HG12 VAL 48 3.936 -14.713 7.958 253 HG13 VAL 48 HG13 VAL 48 5.079 -13.660 8.793 254 HG21 VAL 48 HG21 VAL 48 3.213 -11.094 8.671 255 HG22 VAL 48 HG22 VAL 48 4.302 -11.665 9.940 256 HG23 VAL 48 HG23 VAL 48 2.583 -11.437 10.284 257 H GLY 49 H GLY 49 1.820 -15.408 7.057 258 HA2 GLY 49 HA3 GLY 49 1.331 -17.597 8.108 259 HA3 GLY 49 HA2 GLY 49 -0.028 -16.802 8.893 260 H MET 50 H MET 50 -0.663 -15.247 6.440 261 HA MET 50 HA MET 50 -1.970 -17.431 5.038 262 HB2 MET 50 HB2 MET 50 -3.331 -15.697 3.914 263 HB3 MET 50 HB3 MET 50 -3.522 -15.747 5.655 264 HG2 MET 50 HG2 MET 50 -2.089 -13.788 5.848 265 HG3 MET 50 HG3 MET 50 -1.918 -13.753 4.099 266 HE1 MET 50 HE1 MET 50 -3.873 -10.966 3.673 267 HE2 MET 50 HE2 MET 50 -2.393 -11.442 4.515 268 HE3 MET 50 HE3 MET 50 -3.759 -10.803 5.431 269 H THR 51 H THR 51 -2.295 -16.861 2.568 270 HA THR 51 HA THR 51 0.424 -17.263 1.638 271 HB THR 51 HB THR 51 -0.504 -18.328 -0.272 272 HG1 THR 51 HG1 THR 51 -2.949 -18.311 -0.353 273 HG21 THR 51 HG21 THR 51 -1.956 -18.906 2.262 274 HG22 THR 51 HG22 THR 51 -0.620 -19.800 1.531 275 HG23 THR 51 HG23 THR 51 -2.231 -19.859 0.808 276 H GLN 52 H GLN 52 0.468 -16.687 -0.910 277 HA GLN 52 HA GLN 52 0.528 -13.894 -1.170 278 HB2 GLN 52 HB2 GLN 52 0.444 -16.078 -3.250 279 HB3 GLN 52 HB3 GLN 52 0.718 -14.387 -3.605 280 HG2 GLN 52 HG2 GLN 52 2.765 -14.408 -2.325 281 HG3 GLN 52 HG3 GLN 52 2.475 -16.086 -1.861 282 HE21 GLN 52 HE21 GLN 52 4.684 -14.838 -3.344 283 HE22 GLN 52 HE22 GLN 52 4.781 -15.688 -4.844 284 H GLN 53 H GLN 53 -1.827 -16.353 -2.206 285 HA GLN 53 HA GLN 53 -3.433 -14.535 -3.681 286 HB2 GLN 53 HB2 GLN 53 -5.129 -16.269 -3.673 287 HB3 GLN 53 HB3 GLN 53 -3.566 -16.959 -4.041 288 HG2 GLN 53 HG2 GLN 53 -3.440 -17.997 -1.981 289 HG3 GLN 53 HG3 GLN 53 -4.703 -16.993 -1.282 290 HE21 GLN 53 HE21 GLN 53 -6.838 -17.430 -1.749 291 HE22 GLN 53 HE22 GLN 53 -7.352 -18.942 -2.429 292 H GLN 54 H GLN 54 -3.380 -15.604 -0.391 293 HA GLN 54 HA GLN 54 -5.852 -14.472 0.382 294 HB2 GLN 54 HB2 GLN 54 -3.462 -14.998 2.157 295 HB3 GLN 54 HB3 GLN 54 -5.143 -14.882 2.657 296 HG2 GLN 54 HG2 GLN 54 -4.860 -16.923 0.662 297 HG3 GLN 54 HG3 GLN 54 -3.699 -17.176 1.945 298 HE21 GLN 54 HE21 GLN 54 -4.336 -17.993 3.781 299 HE22 GLN 54 HE22 GLN 54 -5.982 -18.327 4.211 300 H VAL 55 H VAL 55 -2.516 -13.263 0.403 301 HA VAL 55 HA VAL 55 -3.198 -10.800 1.673 302 HB VAL 55 HB VAL 55 -0.736 -11.697 0.193 303 HG11 VAL 55 HG11 VAL 55 -1.111 -9.107 1.690 304 HG12 VAL 55 HG12 VAL 55 -1.106 -9.250 -0.068 305 HG13 VAL 55 HG13 VAL 55 0.349 -9.649 0.854 306 HG21 VAL 55 HG21 VAL 55 -0.992 -10.938 3.064 307 HG22 VAL 55 HG22 VAL 55 0.217 -11.968 2.287 308 HG23 VAL 55 HG23 VAL 55 -1.434 -12.561 2.510 309 H ALA 56 H ALA 56 -2.543 -11.749 -1.699 310 HA ALA 56 HA ALA 56 -2.680 -9.119 -2.715 311 HB1 ALA 56 HB1 ALA 56 -3.277 -11.649 -4.235 312 HB2 ALA 56 HB2 ALA 56 -1.661 -11.010 -3.936 313 HB3 ALA 56 HB3 ALA 56 -2.807 -10.089 -4.904 314 H TYR 57 H TYR 57 -5.127 -11.410 -1.847 315 HA TYR 57 HA TYR 57 -7.204 -10.010 -3.262 316 HB2 TYR 57 HB2 TYR 57 -7.087 -12.319 -1.379 317 HB3 TYR 57 HB3 TYR 57 -8.635 -11.517 -1.657 318 HD1 TYR 57 HD2 TYR 57 -6.002 -11.823 -4.243 319 HD2 TYR 57 HD1 TYR 57 -9.693 -13.363 -2.762 320 HE1 TYR 57 HE2 TYR 57 -6.312 -13.076 -6.315 321 HE2 TYR 57 HE1 TYR 57 -10.004 -14.629 -4.847 322 HH TYR 57 HH TYR 57 -9.266 -14.552 -7.181 323 H ALA 58 H ALA 58 -6.006 -10.191 0.066 324 HA ALA 58 HA ALA 58 -7.946 -8.495 1.244 325 HB1 ALA 58 HB1 ALA 58 -5.126 -8.997 2.194 326 HB2 ALA 58 HB2 ALA 58 -6.486 -10.102 2.454 327 HB3 ALA 58 HB3 ALA 58 -6.520 -8.487 3.160 328 H LEU 59 H LEU 59 -4.745 -8.015 -0.055 329 HA LEU 59 HA LEU 59 -4.634 -5.234 0.730 330 HB2 LEU 59 HB2 LEU 59 -2.814 -7.348 0.254 331 HB3 LEU 59 HB3 LEU 59 -2.445 -6.102 -0.915 332 HG LEU 59 HG LEU 59 -1.867 -4.557 0.735 333 HD11 LEU 59 HD11 LEU 59 -3.417 -6.349 2.573 334 HD12 LEU 59 HD12 LEU 59 -3.725 -4.649 2.176 335 HD13 LEU 59 HD13 LEU 59 -2.332 -5.090 3.173 336 HD21 LEU 59 HD21 LEU 59 -1.085 -7.276 1.743 337 HD22 LEU 59 HD22 LEU 59 -0.299 -5.759 2.192 338 HD23 LEU 59 HD23 LEU 59 -0.225 -6.335 0.523 339 H GLY 60 H GLY 60 -4.890 -7.165 -2.180 340 HA2 GLY 60 HA3 GLY 60 -5.922 -6.207 -4.173 341 HA3 GLY 60 HA2 GLY 60 -5.118 -4.692 -3.771 342 H THR 61 H THR 61 -4.985 -7.135 -5.866 343 HA THR 61 HA THR 61 -2.378 -8.095 -5.812 344 HB THR 61 HB THR 61 -2.714 -8.558 -8.250 345 HG1 THR 61 HG1 THR 61 -4.047 -7.050 -9.052 346 HG21 THR 61 HG21 THR 61 -3.509 -10.062 -6.398 347 HG22 THR 61 HG22 THR 61 -4.411 -10.213 -7.908 348 HG23 THR 61 HG23 THR 61 -5.099 -9.309 -6.559 349 HA PRO 62 HA PRO 62 0.053 -4.582 -6.455 350 HB2 PRO 62 HB2 PRO 62 2.082 -6.354 -7.658 351 HB3 PRO 62 HB3 PRO 62 2.159 -5.396 -6.177 352 HG2 PRO 62 HG2 PRO 62 1.948 -8.070 -6.115 353 HG3 PRO 62 HG3 PRO 62 1.164 -7.040 -4.902 354 HD2 PRO 62 HD2 PRO 62 -0.024 -8.405 -7.286 355 HD3 PRO 62 HD3 PRO 62 -0.686 -8.223 -5.651 356 H LEU 63 H LEU 63 1.273 -3.385 -7.972 357 HA LEU 63 HA LEU 63 -0.237 -2.728 -10.195 358 HB2 LEU 63 HB2 LEU 63 2.665 -2.034 -9.882 359 HB3 LEU 63 HB3 LEU 63 1.386 -1.071 -10.597 360 HG LEU 63 HG LEU 63 1.020 -1.732 -7.749 361 HD11 LEU 63 HD11 LEU 63 3.445 -1.363 -7.899 362 HD12 LEU 63 HD12 LEU 63 2.621 -0.102 -6.972 363 HD13 LEU 63 HD13 LEU 63 3.144 0.218 -8.628 364 HD21 LEU 63 HD21 LEU 63 -0.506 -0.284 -9.002 365 HD22 LEU 63 HD22 LEU 63 0.826 0.823 -9.339 366 HD23 LEU 63 HD23 LEU 63 0.276 0.584 -7.681 367 H MET 64 H MET 64 2.505 -4.839 -9.880 368 HA MET 64 HA MET 64 3.227 -4.944 -12.619 369 HB2 MET 64 HB2 MET 64 4.341 -7.131 -11.930 370 HB3 MET 64 HB3 MET 64 4.871 -5.667 -11.116 371 HG2 MET 64 HG2 MET 64 3.312 -6.256 -9.247 372 HG3 MET 64 HG3 MET 64 3.059 -7.816 -10.034 373 HE1 MET 64 HE1 MET 64 5.039 -9.077 -7.239 374 HE2 MET 64 HE2 MET 64 3.499 -8.306 -7.655 375 HE3 MET 64 HE3 MET 64 4.744 -7.391 -6.804 376 H SER 65 H SER 65 0.393 -5.842 -11.282 377 HA SER 65 HA SER 65 -1.431 -6.848 -12.176 378 HB2 SER 65 HB2 SER 65 -0.654 -5.811 -14.286 379 HB3 SER 65 HB3 SER 65 0.287 -7.260 -14.637 380 HG SER 65 HG SER 65 -1.915 -8.329 -14.326 381 H ASP 66 H ASP 66 1.075 -8.428 -11.107 382 HA ASP 66 HA ASP 66 -0.288 -10.929 -11.069 383 HB2 ASP 66 HB2 ASP 66 0.725 -11.264 -13.187 384 HB3 ASP 66 HB3 ASP 66 2.301 -10.727 -12.609 385 HA PRO 67 HA PRO 67 2.006 -10.377 -7.278 386 HB2 PRO 67 HB2 PRO 67 0.272 -11.801 -5.772 387 HB3 PRO 67 HB3 PRO 67 -0.065 -10.145 -6.285 388 HG2 PRO 67 HG2 PRO 67 -1.051 -12.725 -7.455 389 HG3 PRO 67 HG3 PRO 67 -1.956 -11.232 -7.127 390 HD2 PRO 67 HD2 PRO 67 -0.994 -11.886 -9.617 391 HD3 PRO 67 HD3 PRO 67 -1.198 -10.213 -9.052 392 H PHE 68 H PHE 68 0.849 -13.434 -8.687 393 HA PHE 68 HA PHE 68 2.061 -15.042 -6.651 394 HB2 PHE 68 HB2 PHE 68 0.806 -15.842 -9.276 395 HB3 PHE 68 HB3 PHE 68 1.221 -16.927 -7.962 396 HD1 PHE 68 HD2 PHE 68 0.289 -15.057 -5.713 397 HD2 PHE 68 HD1 PHE 68 -1.506 -16.329 -9.356 398 HE1 PHE 68 HE2 PHE 68 -1.938 -14.707 -4.735 399 HE2 PHE 68 HE1 PHE 68 -3.739 -15.973 -8.383 400 HZ PHE 68 HZ PHE 68 -3.956 -15.163 -6.070 401 H GLY 69 H GLY 69 3.343 -13.607 -9.417 402 HA2 GLY 69 HA3 GLY 69 5.010 -15.881 -10.154 403 HA3 GLY 69 HA2 GLY 69 4.944 -14.325 -10.970 404 H THR 70 H THR 70 5.216 -13.415 -7.911 405 HA THR 70 HA THR 70 8.160 -13.503 -7.976 406 HB THR 70 HB THR 70 7.176 -11.272 -8.675 407 HG1 THR 70 HG1 THR 70 9.262 -11.238 -7.857 408 HG21 THR 70 HG21 THR 70 5.253 -11.269 -7.191 409 HG22 THR 70 HG22 THR 70 6.271 -9.853 -6.895 410 HG23 THR 70 HG23 THR 70 6.327 -11.226 -5.789 411 H ASN 71 H ASN 71 9.015 -12.704 -5.748 412 HA ASN 71 HA ASN 71 7.424 -13.966 -3.606 413 HB2 ASN 71 HB2 ASN 71 10.421 -13.959 -4.029 414 HB3 ASN 71 HB3 ASN 71 9.654 -14.469 -2.530 415 HD21 ASN 71 HD21 ASN 71 8.631 -16.429 -2.433 416 HD22 ASN 71 HD22 ASN 71 8.735 -17.607 -3.692 417 H THR 72 H THR 72 8.333 -11.102 -4.771 418 HA THR 72 HA THR 72 8.652 -9.870 -2.122 419 HB THR 72 HB THR 72 10.046 -8.920 -4.619 420 HG1 THR 72 HG1 THR 72 11.322 -10.322 -2.491 421 HG21 THR 72 HG21 THR 72 9.652 -7.298 -2.797 422 HG22 THR 72 HG22 THR 72 11.363 -7.604 -3.083 423 HG23 THR 72 HG23 THR 72 10.552 -8.342 -1.702 424 H TRP 73 H TRP 73 6.893 -8.653 -1.800 425 HA TRP 73 HA TRP 73 5.690 -7.270 -4.105 426 HB2 TRP 73 HB2 TRP 73 4.487 -8.070 -1.447 427 HB3 TRP 73 HB3 TRP 73 3.651 -7.098 -2.652 428 HD1 TRP 73 HD TRP 73 5.499 -9.550 -4.580 429 HE1 TRP 73 HE1 TRP 73 4.031 -11.570 -5.206 430 HE3 TRP 73 HE3 TRP 73 1.612 -8.749 -1.369 431 HZ2 TRP 73 HZ2 TRP 73 1.565 -12.671 -4.436 432 HZ3 TRP 73 HZ3 TRP 73 -0.264 -10.334 -1.386 433 HH2 TRP 73 HH TRP 73 -0.286 -12.252 -2.886 434 H PHE 74 H PHE 74 5.167 -5.062 -3.949 435 HA PHE 74 HA PHE 74 6.289 -3.658 -1.622 436 HB2 PHE 74 HB2 PHE 74 6.802 -3.162 -4.526 437 HB3 PHE 74 HB3 PHE 74 6.791 -1.797 -3.414 438 HD1 PHE 74 HD2 PHE 74 8.436 -5.030 -4.150 439 HD2 PHE 74 HD1 PHE 74 8.595 -1.363 -1.997 440 HE1 PHE 74 HE2 PHE 74 10.765 -5.507 -3.512 441 HE2 PHE 74 HE1 PHE 74 10.924 -1.830 -1.362 442 HZ PHE 74 HZ PHE 74 12.012 -3.905 -2.120 443 H TYR 75 H TYR 75 4.922 -2.379 -0.659 444 HA TYR 75 HA TYR 75 2.754 -1.111 -2.192 445 HB2 TYR 75 HB2 TYR 75 2.461 -2.421 0.518 446 HB3 TYR 75 HB3 TYR 75 1.201 -1.544 -0.322 447 HD1 TYR 75 HD1 TYR 75 0.586 -2.462 -2.702 448 HD2 TYR 75 HD2 TYR 75 2.577 -4.681 0.318 449 HE1 TYR 75 HE1 TYR 75 -0.144 -4.549 -3.778 450 HE2 TYR 75 HE2 TYR 75 1.855 -6.790 -0.745 451 HH TYR 75 HH TYR 75 0.051 -7.555 -2.250 452 H VAL 76 H VAL 76 1.654 0.603 -0.583 453 HA VAL 76 HA VAL 76 3.903 2.097 0.619 454 HB VAL 76 HB VAL 76 1.571 3.408 -0.792 455 HG11 VAL 76 HG11 VAL 76 2.770 4.813 0.793 456 HG12 VAL 76 HG12 VAL 76 3.036 5.367 -0.859 457 HG13 VAL 76 HG13 VAL 76 4.292 4.454 -0.023 458 HG21 VAL 76 HG21 VAL 76 4.279 2.815 -1.977 459 HG22 VAL 76 HG22 VAL 76 2.990 3.749 -2.738 460 HG23 VAL 76 HG23 VAL 76 2.765 2.028 -2.423 461 H PHE 77 H PHE 77 3.202 3.638 2.293 462 HA PHE 77 HA PHE 77 0.929 2.654 3.799 463 HB2 PHE 77 HB2 PHE 77 3.253 4.423 4.390 464 HB3 PHE 77 HB3 PHE 77 1.791 4.651 5.341 465 HD1 PHE 77 HD2 PHE 77 2.195 1.285 4.238 466 HD2 PHE 77 HD1 PHE 77 3.405 4.060 7.231 467 HE1 PHE 77 HE2 PHE 77 2.824 -0.578 5.709 468 HE2 PHE 77 HE1 PHE 77 4.036 2.194 8.706 469 HZ PHE 77 HZ PHE 77 3.748 -0.129 7.945 470 H ARG 78 H ARG 78 -0.187 4.698 5.017 471 HA ARG 78 HA ARG 78 -1.977 5.839 3.274 472 HB2 ARG 78 HB2 ARG 78 -2.322 5.672 5.672 473 HB3 ARG 78 HB1 ARG 78 -0.983 6.754 5.981 474 HG2 ARG 78 HG2 ARG 78 -3.242 7.716 4.357 475 HG3 ARG 78 HG1 ARG 78 -3.463 7.561 6.098 476 HD2 ARG 78 HD2 ARG 78 -1.439 9.249 4.629 477 HD3 ARG 78 HD1 ARG 78 -2.749 9.796 5.677 478 HE ARG 78 HE ARG 78 -0.676 8.109 6.864 479 HH11 ARG 78 HH11 ARG 78 -2.071 11.304 6.489 480 HH12 ARG 78 HH12 ARG 78 -1.198 11.976 7.839 481 HH21 ARG 78 HH21 ARG 78 0.449 8.973 8.624 482 HH22 ARG 78 HH22 ARG 78 0.245 10.652 9.053 483 H GLN 79 H GLN 79 -2.026 7.757 2.087 484 HA GLN 79 HA GLN 79 0.377 8.597 1.021 485 HB2 GLN 79 HB2 GLN 79 -1.665 8.793 -0.242 486 HB3 GLN 79 HB3 GLN 79 -2.311 9.949 0.915 487 HG2 GLN 79 HG2 GLN 79 -0.867 11.639 0.211 488 HG3 GLN 79 HG3 GLN 79 0.214 10.508 -0.599 489 HE21 GLN 79 HE21 GLN 79 -1.888 9.026 -1.897 490 HE22 GLN 79 HE22 GLN 79 -2.491 10.035 -3.171 491 H GLN 80 H GLN 80 1.871 9.395 2.291 492 HA GLN 80 HA GLN 80 1.334 11.854 3.791 493 HB2 GLN 80 HB2 GLN 80 3.219 10.947 5.288 494 HB3 GLN 80 HB3 GLN 80 1.642 10.190 5.415 495 HG2 GLN 80 HG2 GLN 80 2.483 8.452 3.798 496 HG3 GLN 80 HG3 GLN 80 4.088 9.140 4.024 497 HE21 GLN 80 HE21 GLN 80 5.111 8.867 6.033 498 HE22 GLN 80 HE22 GLN 80 4.574 7.695 7.191 499 HA PRO 81 HA PRO 81 4.661 14.233 2.028 500 HB2 PRO 81 HB2 PRO 81 6.247 13.461 4.455 501 HB3 PRO 81 HB3 PRO 81 6.144 15.026 3.641 502 HG2 PRO 81 HG2 PRO 81 4.712 14.557 5.831 503 HG3 PRO 81 HG3 PRO 81 4.027 15.474 4.479 504 HD2 PRO 81 HD2 PRO 81 3.409 12.736 5.401 505 HD3 PRO 81 HD3 PRO 81 2.410 13.868 4.479 506 H GLY 82 H GLY 82 5.940 13.665 0.408 507 HA2 GLY 82 HA3 GLY 82 8.030 11.699 0.753 508 HA3 GLY 82 HA2 GLY 82 6.739 11.208 -0.335 509 H HIS 83 H HIS 83 7.902 11.179 -2.192 510 HA HIS 83 HA HIS 83 8.747 11.965 -4.130 511 HB2 HIS 83 HB2 HIS 83 7.831 14.645 -3.082 512 HB3 HIS 83 HB1 HIS 83 8.425 14.365 -4.714 513 HD1 HIS 83 HD1 HIS 83 6.550 14.224 -6.314 514 HD2 HIS 83 HD2 HIS 83 5.526 12.641 -2.604 515 HE1 HIS 83 HE1 HIS 83 4.182 13.419 -6.545 516 HE2 HIS 83 HE2 HIS 83 3.522 12.651 -4.239 517 H GLU 84 H GLU 84 9.609 14.879 -2.308 518 HA GLU 84 HA GLU 84 12.385 14.408 -3.032 519 HB2 GLU 84 HB2 GLU 84 11.025 16.825 -1.871 520 HB3 GLU 84 HB3 GLU 84 12.728 16.746 -2.283 521 HG2 GLU 84 HG2 GLU 84 12.169 16.404 -4.619 522 HG3 GLU 84 HG3 GLU 84 10.451 16.418 -4.219 523 H GLY 85 H GLY 85 10.354 14.134 -0.490 524 HA2 GLY 85 HA3 GLY 85 12.476 13.353 1.325 525 HA3 GLY 85 HA2 GLY 85 11.519 14.740 1.843 526 H VAL 86 H VAL 86 11.515 11.330 1.193 527 HA VAL 86 HA VAL 86 8.673 11.065 1.657 528 HB VAL 86 HB VAL 86 10.682 8.859 1.377 529 HG11 VAL 86 HG11 VAL 86 7.716 8.934 0.921 530 HG12 VAL 86 HG12 VAL 86 8.544 8.196 2.295 531 HG13 VAL 86 HG13 VAL 86 8.764 7.537 0.671 532 HG21 VAL 86 HG21 VAL 86 9.132 10.286 -0.773 533 HG22 VAL 86 HG22 VAL 86 10.031 8.786 -1.009 534 HG23 VAL 86 HG23 VAL 86 10.885 10.267 -0.572 535 H THR 87 H THR 87 7.715 10.269 3.415 536 HA THR 87 HA THR 87 9.450 9.460 5.640 537 HB THR 87 HB THR 87 8.301 11.651 6.016 538 HG1 THR 87 HG1 THR 87 7.643 9.458 7.716 539 HG21 THR 87 HG21 THR 87 6.217 11.204 4.830 540 HG22 THR 87 HG22 THR 87 5.899 11.661 6.504 541 HG23 THR 87 HG23 THR 87 5.793 9.969 6.015 542 H GLN 88 H GLN 88 7.242 8.409 3.417 543 HA GLN 88 HA GLN 88 5.597 6.612 4.630 544 HB2 GLN 88 HB2 GLN 88 6.927 6.888 2.025 545 HB3 GLN 88 HB3 GLN 88 6.382 5.274 2.421 546 HG2 GLN 88 HG2 GLN 88 4.578 6.098 1.342 547 HG3 GLN 88 HG3 GLN 88 4.165 6.470 3.008 548 HE21 GLN 88 HE21 GLN 88 3.154 7.648 0.676 549 HE22 GLN 88 HE22 GLN 88 3.555 9.319 0.761 550 H GLN 89 H GLN 89 5.721 4.511 5.238 551 HA GLN 89 HA GLN 89 8.295 3.159 4.998 552 HB2 GLN 89 HB2 GLN 89 5.924 2.704 6.777 553 HB3 GLN 89 HB3 GLN 89 7.028 1.380 6.422 554 HG2 GLN 89 HG2 GLN 89 8.850 2.520 7.403 555 HG3 GLN 89 HG3 GLN 89 7.934 4.019 7.513 556 HE21 GLN 89 HE21 GLN 89 8.425 0.846 8.856 557 HE22 GLN 89 HE22 GLN 89 7.559 1.123 10.325 558 H THR 90 H THR 90 8.512 1.738 3.436 559 HA THR 90 HA THR 90 6.207 1.145 1.759 560 HB THR 90 HB THR 90 8.338 -0.145 0.621 561 HG1 THR 90 HG1 THR 90 9.872 0.670 2.016 562 HG21 THR 90 HG21 THR 90 7.435 2.658 0.248 563 HG22 THR 90 HG22 THR 90 6.835 1.241 -0.598 564 HG23 THR 90 HG23 THR 90 8.483 1.812 -0.873 565 H LEU 91 H LEU 91 5.295 -0.826 1.547 566 HA LEU 91 HA LEU 91 6.040 -2.778 3.576 567 HB2 LEU 91 HB2 LEU 91 3.623 -2.051 3.125 568 HB3 LEU 91 HB3 LEU 91 3.740 -2.990 1.647 569 HG LEU 91 HG LEU 91 4.419 -4.951 3.142 570 HD11 LEU 91 HD11 LEU 91 3.314 -4.725 5.425 571 HD12 LEU 91 HD12 LEU 91 3.441 -2.978 5.164 572 HD13 LEU 91 HD13 LEU 91 4.899 -3.974 5.192 573 HD21 LEU 91 HD21 LEU 91 2.120 -5.524 3.695 574 HD22 LEU 91 HD22 LEU 91 2.271 -4.895 2.044 575 HD23 LEU 91 HD23 LEU 91 1.621 -3.866 3.326 576 H THR 92 H THR 92 7.539 -4.175 3.034 577 HA THR 92 HA THR 92 7.574 -5.211 0.278 578 HB THR 92 HB THR 92 9.747 -5.387 2.377 579 HG1 THR 92 HG1 THR 92 9.021 -3.277 1.069 580 HG21 THR 92 HG21 THR 92 9.784 -7.180 0.693 581 HG22 THR 92 HG22 THR 92 11.167 -6.095 0.525 582 HG23 THR 92 HG23 THR 92 9.802 -5.967 -0.589 583 H LEU 93 H LEU 93 6.336 -6.978 0.215 584 HA LEU 93 HA LEU 93 6.089 -8.557 2.637 585 HB2 LEU 93 HB2 LEU 93 4.165 -7.840 0.917 586 HB3 LEU 93 HB3 LEU 93 4.635 -9.370 0.184 587 HG LEU 93 HG LEU 93 4.290 -10.435 2.399 588 HD11 LEU 93 HD11 LEU 93 2.704 -8.872 3.810 589 HD12 LEU 93 HD12 LEU 93 3.688 -7.619 3.069 590 HD13 LEU 93 HD13 LEU 93 4.446 -8.887 4.036 591 HD21 LEU 93 HD21 LEU 93 1.775 -9.064 1.695 592 HD22 LEU 93 HD22 LEU 93 2.067 -10.755 2.079 593 HD23 LEU 93 HD23 LEU 93 2.535 -10.108 0.503 594 H THR 94 H THR 94 7.260 -10.282 3.002 595 HA THR 94 HA THR 94 8.829 -11.375 0.815 596 HB THR 94 HB THR 94 9.193 -11.312 3.804 597 HG1 THR 94 HG1 THR 94 10.738 -10.286 1.636 598 HG21 THR 94 HG21 THR 94 9.839 -13.478 3.033 599 HG22 THR 94 HG22 THR 94 11.278 -12.545 3.443 600 HG23 THR 94 HG23 THR 94 10.826 -12.779 1.752 601 H PHE 95 H PHE 95 8.334 -13.287 0.057 602 HA PHE 95 HA PHE 95 6.652 -15.099 1.663 603 HB2 PHE 95 HB2 PHE 95 6.748 -14.598 -1.307 604 HB3 PHE 95 HB3 PHE 95 6.009 -16.038 -0.629 605 HD1 PHE 95 HD2 PHE 95 4.095 -15.822 0.878 606 HD2 PHE 95 HD1 PHE 95 5.606 -12.521 -1.309 607 HE1 PHE 95 HE2 PHE 95 1.983 -14.641 1.244 608 HE2 PHE 95 HE1 PHE 95 3.491 -11.317 -0.950 609 HZ PHE 95 HZ PHE 95 1.680 -12.390 0.333 610 H ASN 96 H ASN 96 7.268 -17.143 1.948 611 HA ASN 96 HA ASN 96 9.940 -17.915 1.248 612 HB2 ASN 96 HB2 ASN 96 9.397 -20.039 2.402 613 HB3 ASN 96 HB3 ASN 96 9.038 -18.625 3.376 614 HD21 ASN 96 HD21 ASN 96 7.597 -19.694 4.674 615 HD22 ASN 96 HD22 ASN 96 6.035 -20.193 4.120 616 H SER 97 H SER 97 9.811 -20.593 0.608 617 HA SER 97 HA SER 97 9.616 -20.393 -2.188 618 HB2 SER 97 HB2 SER 97 9.746 -22.896 -0.495 619 HB3 SER 97 HB3 SER 97 10.149 -22.774 -2.208 620 HG SER 97 HG SER 97 11.520 -20.911 -0.844 621 H SER 98 H SER 98 7.274 -21.449 0.198 622 HA SER 98 HA SER 98 5.697 -22.873 -1.757 623 HB2 SER 98 HB2 SER 98 5.859 -23.702 0.555 624 HB3 SER 98 HB3 SER 98 5.105 -22.217 1.136 625 HG SER 98 HG SER 98 3.457 -23.049 -0.649 626 H GLY 99 H GLY 99 6.028 -19.669 -0.791 627 HA2 GLY 99 HA3 GLY 99 4.864 -17.850 -1.731 628 HA3 GLY 99 HA2 GLY 99 3.560 -18.943 -2.182 629 H VAL 100 H VAL 100 4.987 -18.930 0.962 630 HA VAL 100 HA VAL 100 2.436 -18.014 2.106 631 HB VAL 100 HB VAL 100 4.602 -19.523 3.548 632 HG11 VAL 100 HG11 VAL 100 2.756 -18.268 4.754 633 HG12 VAL 100 HG12 VAL 100 2.951 -19.972 5.168 634 HG13 VAL 100 HG13 VAL 100 1.646 -19.468 4.092 635 HG21 VAL 100 HG21 VAL 100 2.299 -20.645 1.960 636 HG22 VAL 100 HG22 VAL 100 3.235 -21.570 3.136 637 HG23 VAL 100 HG23 VAL 100 4.023 -20.924 1.694 638 H LEU 101 H LEU 101 2.441 -16.363 3.624 639 HA LEU 101 HA LEU 101 4.496 -14.466 3.523 640 HB2 LEU 101 HB2 LEU 101 1.969 -14.821 4.946 641 HB3 LEU 101 HB3 LEU 101 3.156 -13.866 5.814 642 HG LEU 101 HG LEU 101 2.102 -13.331 3.059 643 HD11 LEU 101 HD11 LEU 101 1.858 -11.798 5.626 644 HD12 LEU 101 HD12 LEU 101 0.584 -12.778 4.905 645 HD13 LEU 101 HD13 LEU 101 1.170 -11.339 4.070 646 HD21 LEU 101 HD21 LEU 101 4.111 -11.776 4.650 647 HD22 LEU 101 HD22 LEU 101 3.495 -11.373 3.050 648 HD23 LEU 101 HD23 LEU 101 4.496 -12.812 3.281 649 H THR 102 H THR 102 6.315 -14.315 4.487 650 HA THR 102 HA THR 102 6.737 -15.780 7.003 651 HB THR 102 HB THR 102 9.036 -16.000 6.489 652 HG1 THR 102 HG1 THR 102 9.628 -14.009 5.733 653 HG21 THR 102 HG21 THR 102 7.377 -17.307 5.059 654 HG22 THR 102 HG22 THR 102 9.038 -17.205 4.468 655 HG23 THR 102 HG23 THR 102 7.783 -16.175 3.770 656 H ASN 103 H ASN 103 7.363 -12.746 5.282 657 HA ASN 103 HA ASN 103 7.398 -11.414 7.908 658 HB2 ASN 103 HB2 ASN 103 9.376 -10.742 5.732 659 HB3 ASN 103 HB3 ASN 103 9.214 -9.921 7.265 660 HD21 ASN 103 HD21 ASN 103 11.064 -10.263 8.229 661 HD22 ASN 103 HD22 ASN 103 11.771 -11.817 8.532 662 H ILE 104 H ILE 104 6.672 -9.341 7.956 663 HA ILE 104 HA ILE 104 5.644 -8.185 5.439 664 HB ILE 104 HB ILE 104 4.857 -7.133 8.137 665 HG12 ILE 104 HG12 ILE 104 4.387 -9.567 8.234 666 HG13 ILE 104 HG13 ILE 104 2.937 -8.581 8.317 667 HG21 ILE 104 HG21 ILE 104 3.457 -7.179 5.456 668 HG22 ILE 104 HG22 ILE 104 4.268 -5.814 6.221 669 HG23 ILE 104 HG23 ILE 104 2.804 -6.482 6.940 670 HD11 ILE 104 HD11 ILE 104 2.571 -9.059 5.905 671 HD12 ILE 104 HD12 ILE 104 2.493 -10.472 6.961 672 HD13 ILE 104 HD13 ILE 104 3.932 -10.181 5.980 673 H ASP 105 H ASP 105 7.513 -7.087 4.808 674 HA ASP 105 HA ASP 105 9.137 -5.835 6.877 675 HB2 ASP 105 HB2 ASP 105 10.109 -7.268 5.052 676 HB3 ASP 105 HB3 ASP 105 9.693 -5.995 3.921 677 H ASN 106 H ASN 106 8.211 -3.917 7.474 678 HA ASN 106 HA ASN 106 7.716 -2.029 5.288 679 HB2 ASN 106 HB2 ASN 106 6.249 -0.833 6.896 680 HB3 ASN 106 HB3 ASN 106 5.700 -2.439 6.486 681 HD21 ASN 106 HD21 ASN 106 5.929 -4.108 8.059 682 HD22 ASN 106 HD22 ASN 106 6.048 -3.721 9.737 683 H LYS 107 H LYS 107 9.503 -1.001 4.997 684 HA LYS 107 HA LYS 107 10.878 0.226 7.298 685 HB2 LYS 107 HB2 LYS 107 12.045 -0.589 4.641 686 HB3 LYS 107 HB1 LYS 107 12.932 0.179 5.936 687 HG2 LYS 107 HG2 LYS 107 11.922 -1.928 7.221 688 HG3 LYS 107 HG1 LYS 107 12.095 -2.609 5.603 689 HD2 LYS 107 HD2 LYS 107 14.450 -1.729 5.593 690 HD3 LYS 107 HD1 LYS 107 14.240 -1.332 7.298 691 HE2 LYS 107 HE2 LYS 107 15.353 -3.436 7.175 692 HE3 LYS 107 HE1 LYS 107 13.700 -3.735 7.708 693 HZ1 LYS 107 HZ1 LYS 107 13.114 -4.397 5.473 694 HZ2 LYS 107 HZ2 LYS 107 14.424 -5.321 6.023 695 HZ3 LYS 107 HZ3 LYS 107 14.681 -4.058 4.924 696 HA PRO 108 HA PRO 108 10.290 4.215 5.564 697 HB2 PRO 108 HB2 PRO 108 12.939 5.178 5.719 698 HB3 PRO 108 HB3 PRO 108 11.651 5.394 6.893 699 HG2 PRO 108 HG2 PRO 108 13.994 3.740 7.070 700 HG3 PRO 108 HG3 PRO 108 12.781 4.083 8.309 701 HD2 PRO 108 HD2 PRO 108 13.154 1.683 6.835 702 HD3 PRO 108 HD3 PRO 108 11.909 2.038 8.027 703 H ALA 109 H ALA 109 10.280 5.132 3.608 704 HA ALA 109 HA ALA 109 11.108 3.514 1.455 705 HB1 ALA 109 HB1 ALA 109 10.035 6.316 1.364 706 HB2 ALA 109 HB2 ALA 109 9.081 4.831 1.396 707 HB3 ALA 109 HB3 ALA 109 10.125 5.178 0.016 708 H LEU 110 H LEU 110 12.023 4.636 -0.537 709 HA LEU 110 HA LEU 110 14.750 4.582 -0.230 710 HB2 LEU 110 HB2 LEU 110 13.325 5.989 -2.479 711 HB3 LEU 110 HB3 LEU 110 14.888 5.194 -2.533 712 HG LEU 110 HG LEU 110 12.249 3.781 -2.108 713 HD11 LEU 110 HD11 LEU 110 14.011 3.672 -4.537 714 HD12 LEU 110 HD12 LEU 110 12.681 4.822 -4.392 715 HD13 LEU 110 HD13 LEU 110 12.355 3.088 -4.357 716 HD21 LEU 110 HD21 LEU 110 14.289 2.723 -1.102 717 HD22 LEU 110 HD22 LEU 110 14.958 2.626 -2.735 718 HD23 LEU 110 HD23 LEU 110 13.479 1.755 -2.333 719 H SER 111 H SER 111 12.986 7.533 -1.214 720 HA SER 111 HA SER 111 15.236 9.178 -0.673 721 HB2 SER 111 HB2 SER 111 12.395 10.025 -1.242 722 HB3 SER 111 HB3 SER 111 13.868 10.941 -1.524 723 HG SER 111 HG SER 111 14.013 10.022 -3.392 724 H GLY 112 H GLY 112 15.074 8.169 1.673 725 HA2 GLY 112 HA3 GLY 112 13.815 10.261 3.321 726 HA3 GLY 112 HA2 GLY 112 13.662 8.566 3.767 727 H ASN 113 H ASN 113 14.730 8.986 5.762 728 HA ASN 113 HA ASN 113 17.621 9.448 5.448 729 HB2 ASN 113 HB2 ASN 113 15.751 10.285 7.656 730 HB3 ASN 113 HB3 ASN 113 17.488 10.162 7.924 731 HD21 ASN 113 HD21 ASN 113 14.935 11.954 6.462 732 HD22 ASN 113 HD22 ASN 113 15.900 13.278 5.884 Start of MODEL 12 1 H1 GLY 17 H1 GLY 17 -4.265 16.993 21.105 2 H2 GLY 17 H2 GLY 17 -4.813 18.319 20.201 3 H3 GLY 17 H3 GLY 17 -5.642 16.841 20.126 4 HA2 GLY 17 HA2 GLY 17 -5.423 18.627 22.484 5 HA3 GLY 17 HA3 GLY 17 -6.861 18.372 21.509 6 H SER 18 H SER 18 -6.599 15.548 21.193 7 HA SER 18 HA SER 18 -7.848 14.739 23.617 8 HB2 SER 18 HB2 SER 18 -7.007 13.173 21.171 9 HB3 SER 18 HB3 SER 18 -7.922 12.487 22.514 10 HG SER 18 HG SER 18 -9.654 13.455 21.833 11 H HIS 19 H HIS 19 -5.992 15.259 25.055 12 HA HIS 19 HA HIS 19 -3.951 13.198 25.204 13 HB2 HIS 19 HB2 HIS 19 -4.717 15.372 27.174 14 HB3 HIS 19 HB1 HIS 19 -3.357 14.276 27.375 15 HD1 HIS 19 HD1 HIS 19 -1.231 14.761 26.018 16 HD2 HIS 19 HD2 HIS 19 -4.344 17.429 25.297 17 HE1 HIS 19 HE1 HIS 19 -0.200 16.686 24.769 18 HE2 HIS 19 HE2 HIS 19 -2.071 18.350 24.461 19 H MET 20 H MET 20 -6.753 14.260 27.089 20 HA MET 20 HA MET 20 -7.068 11.495 28.079 21 HB2 MET 20 HB2 MET 20 -7.737 14.105 29.454 22 HB3 MET 20 HB3 MET 20 -8.204 12.523 30.059 23 HG2 MET 20 HG2 MET 20 -5.920 11.901 30.387 24 HG3 MET 20 HG3 MET 20 -5.357 13.360 29.578 25 HE1 MET 20 HE1 MET 20 -6.290 16.163 32.117 26 HE2 MET 20 HE2 MET 20 -7.193 15.626 30.698 27 HE3 MET 20 HE3 MET 20 -5.437 15.775 30.623 28 H SER 21 H SER 21 -8.312 13.847 26.105 29 HA SER 21 HA SER 21 -11.114 13.484 26.642 30 HB2 SER 21 HB2 SER 21 -9.754 14.858 24.309 31 HB3 SER 21 HB3 SER 21 -11.449 15.016 24.774 32 HG SER 21 HG SER 21 -10.534 15.750 26.883 33 H THR 22 H THR 22 -11.756 11.418 26.261 34 HA THR 22 HA THR 22 -12.561 9.653 25.088 35 HB THR 22 HB THR 22 -11.999 11.292 22.608 36 HG1 THR 22 HG1 THR 22 -13.409 12.254 24.310 37 HG21 THR 22 HG21 THR 22 -13.779 9.938 21.601 38 HG22 THR 22 HG22 THR 22 -13.941 9.026 23.101 39 HG23 THR 22 HG23 THR 22 -12.454 8.915 22.160 40 H LEU 23 H LEU 23 -11.029 8.145 25.571 41 HA LEU 23 HA LEU 23 -8.668 8.017 23.829 42 HB2 LEU 23 HB2 LEU 23 -9.096 6.901 26.602 43 HB3 LEU 23 HB3 LEU 23 -7.654 6.642 25.639 44 HG LEU 23 HG LEU 23 -8.640 9.302 26.678 45 HD11 LEU 23 HD11 LEU 23 -7.693 7.878 28.414 46 HD12 LEU 23 HD12 LEU 23 -6.621 9.232 28.057 47 HD13 LEU 23 HD13 LEU 23 -6.250 7.625 27.433 48 HD21 LEU 23 HD21 LEU 23 -7.567 9.540 24.500 49 HD22 LEU 23 HD22 LEU 23 -6.174 8.624 25.075 50 HD23 LEU 23 HD23 LEU 23 -6.546 10.198 25.778 51 H GLU 24 H GLU 24 -10.028 6.974 22.217 52 HA GLU 24 HA GLU 24 -10.040 4.067 22.703 53 HB2 GLU 24 HB2 GLU 24 -11.866 5.608 20.850 54 HB3 GLU 24 HB3 GLU 24 -11.774 3.860 20.940 55 HG2 GLU 24 HG2 GLU 24 -12.532 3.993 23.292 56 HG3 GLU 24 HG3 GLU 24 -12.745 5.733 23.081 57 H ARG 25 H ARG 25 -10.587 5.773 19.711 58 HA ARG 25 HA ARG 25 -7.904 5.409 18.722 59 HB2 ARG 25 HB2 ARG 25 -9.059 3.161 18.467 60 HB3 ARG 25 HB1 ARG 25 -10.176 3.945 17.360 61 HG2 ARG 25 HG2 ARG 25 -8.295 4.508 15.884 62 HG3 ARG 25 HG1 ARG 25 -7.197 3.677 16.991 63 HD2 ARG 25 HD2 ARG 25 -8.537 1.613 16.682 64 HD3 ARG 25 HD1 ARG 25 -9.495 2.457 15.469 65 HE ARG 25 HE ARG 25 -6.610 2.333 15.032 66 HH11 ARG 25 HH11 ARG 25 -9.818 1.164 14.231 67 HH12 ARG 25 HH12 ARG 25 -9.284 0.306 12.811 68 HH21 ARG 25 HH21 ARG 25 -5.916 1.216 13.175 69 HH22 ARG 25 HH22 ARG 25 -7.058 0.313 12.223 70 H VAL 26 H VAL 26 -8.579 7.746 18.891 71 HA VAL 26 HA VAL 26 -10.558 8.678 17.019 72 HB VAL 26 HB VAL 26 -10.427 9.819 19.124 73 HG11 VAL 26 HG11 VAL 26 -8.124 9.396 19.716 74 HG12 VAL 26 HG12 VAL 26 -8.464 11.125 19.816 75 HG13 VAL 26 HG13 VAL 26 -7.569 10.478 18.440 76 HG21 VAL 26 HG21 VAL 26 -10.152 12.152 18.398 77 HG22 VAL 26 HG22 VAL 26 -11.079 11.194 17.243 78 HG23 VAL 26 HG23 VAL 26 -9.391 11.583 16.911 79 H VAL 27 H VAL 27 -9.704 7.944 15.078 80 HA VAL 27 HA VAL 27 -7.112 8.814 14.199 81 HB VAL 27 HB VAL 27 -8.504 6.608 13.633 82 HG11 VAL 27 HG11 VAL 27 -10.297 7.726 12.451 83 HG12 VAL 27 HG12 VAL 27 -9.383 6.706 11.338 84 HG13 VAL 27 HG13 VAL 27 -9.137 8.460 11.333 85 HG21 VAL 27 HG21 VAL 27 -6.618 7.950 11.702 86 HG22 VAL 27 HG22 VAL 27 -7.008 6.232 11.741 87 HG23 VAL 27 HG23 VAL 27 -6.161 6.974 13.098 88 H TYR 28 H TYR 28 -7.011 9.688 11.889 89 HA TYR 28 HA TYR 28 -8.326 12.214 11.783 90 HB2 TYR 28 HB2 TYR 28 -6.628 10.803 9.720 91 HB3 TYR 28 HB3 TYR 28 -7.047 12.504 9.734 92 HD1 TYR 28 HD2 TYR 28 -6.138 13.966 11.566 93 HD2 TYR 28 HD1 TYR 28 -4.802 9.977 10.964 94 HE1 TYR 28 HE2 TYR 28 -4.137 14.439 12.918 95 HE2 TYR 28 HE1 TYR 28 -2.800 10.433 12.317 96 HH TYR 28 HH TYR 28 -2.510 13.161 14.287 97 H ARG 29 H ARG 29 -9.863 12.930 10.308 98 HA ARG 29 HA ARG 29 -11.573 11.029 9.053 99 HB2 ARG 29 HB2 ARG 29 -11.374 14.033 8.721 100 HB3 ARG 29 HB1 ARG 29 -12.644 13.036 8.027 101 HG2 ARG 29 HG2 ARG 29 -13.329 12.367 10.291 102 HG3 ARG 29 HG1 ARG 29 -12.090 13.433 10.960 103 HD2 ARG 29 HD2 ARG 29 -14.230 14.551 11.002 104 HD3 ARG 29 HD1 ARG 29 -13.173 15.345 9.836 105 HE ARG 29 HE ARG 29 -15.201 13.377 8.979 106 HH11 ARG 29 HH11 ARG 29 -13.779 16.582 8.798 107 HH12 ARG 29 HH12 ARG 29 -14.770 17.080 7.456 108 HH21 ARG 29 HH21 ARG 29 -16.486 14.020 7.219 109 HH22 ARG 29 HH22 ARG 29 -16.313 15.620 6.555 110 HA PRO 30 HA PRO 30 -9.044 9.899 5.640 111 HB2 PRO 30 HB2 PRO 30 -11.715 9.870 4.298 112 HB3 PRO 30 HB3 PRO 30 -10.432 8.663 4.287 113 HG2 PRO 30 HG2 PRO 30 -12.600 8.380 5.822 114 HG3 PRO 30 HG3 PRO 30 -11.002 7.821 6.338 115 HD2 PRO 30 HD2 PRO 30 -12.579 10.105 7.290 116 HD3 PRO 30 HD3 PRO 30 -11.297 9.203 8.101 117 H ASP 31 H ASP 31 -7.893 11.209 4.489 118 HA ASP 31 HA ASP 31 -9.053 13.014 2.540 119 HB2 ASP 31 HB2 ASP 31 -8.850 14.382 4.637 120 HB3 ASP 31 HB3 ASP 31 -7.129 14.020 4.662 121 H ILE 32 H ILE 32 -7.684 10.563 2.493 122 HA ILE 32 HA ILE 32 -4.850 10.934 2.309 123 HB ILE 32 HB ILE 32 -6.478 8.520 1.495 124 HG12 ILE 32 HG12 ILE 32 -6.890 9.293 3.841 125 HG13 ILE 32 HG13 ILE 32 -6.133 7.706 3.745 126 HG21 ILE 32 HG21 ILE 32 -4.338 7.356 2.110 127 HG22 ILE 32 HG22 ILE 32 -3.567 8.939 2.139 128 HG23 ILE 32 HG23 ILE 32 -4.275 8.325 0.644 129 HD11 ILE 32 HD11 ILE 32 -5.214 9.251 5.472 130 HD12 ILE 32 HD12 ILE 32 -4.570 10.228 4.160 131 HD13 ILE 32 HD13 ILE 32 -4.036 8.555 4.366 132 H ASN 33 H ASN 33 -3.558 10.879 0.505 133 HA ASN 33 HA ASN 33 -4.775 11.577 -2.048 134 HB2 ASN 33 HB2 ASN 33 -1.831 11.096 -1.569 135 HB3 ASN 33 HB3 ASN 33 -2.582 12.128 -2.780 136 HD21 ASN 33 HD21 ASN 33 -1.481 11.855 0.466 137 HD22 ASN 33 HD22 ASN 33 -1.738 13.503 0.921 138 H GLN 34 H GLN 34 -3.009 9.053 -0.479 139 HA GLN 34 HA GLN 34 -2.912 7.181 -2.591 140 HB2 GLN 34 HB2 GLN 34 -2.922 6.715 0.395 141 HB3 GLN 34 HB3 GLN 34 -2.337 5.609 -0.820 142 HG2 GLN 34 HG2 GLN 34 -0.435 6.469 0.055 143 HG3 GLN 34 HG3 GLN 34 -0.645 7.450 -1.382 144 HE21 GLN 34 HE21 GLN 34 0.812 7.813 1.129 145 HE22 GLN 34 HE22 GLN 34 0.307 9.356 1.736 146 H GLY 35 H GLY 35 -4.065 4.908 -1.201 147 HA2 GLY 35 HA3 GLY 35 -6.178 4.188 -0.330 148 HA3 GLY 35 HA2 GLY 35 -6.906 5.616 -1.044 149 H ASN 36 H ASN 36 -5.359 5.161 -3.547 150 HA ASN 36 HA ASN 36 -7.202 3.413 -4.872 151 HB2 ASN 36 HB2 ASN 36 -6.211 5.407 -5.974 152 HB3 ASN 36 HB3 ASN 36 -4.642 4.644 -5.915 153 HD21 ASN 36 HD21 ASN 36 -7.625 4.824 -7.472 154 HD22 ASN 36 HD22 ASN 36 -7.237 3.766 -8.775 155 H TYR 37 H TYR 37 -3.846 3.267 -3.870 156 HA TYR 37 HA TYR 37 -3.828 0.384 -4.390 157 HB2 TYR 37 HB2 TYR 37 -1.260 0.772 -4.145 158 HB3 TYR 37 HB3 TYR 37 -2.051 1.222 -5.649 159 HD1 TYR 37 HD2 TYR 37 -1.149 2.722 -2.341 160 HD2 TYR 37 HD1 TYR 37 -1.605 3.302 -6.528 161 HE1 TYR 37 HE2 TYR 37 -0.292 5.012 -2.112 162 HE2 TYR 37 HE1 TYR 37 -0.753 5.596 -6.309 163 HH TYR 37 HH TYR 37 -0.429 7.294 -4.718 164 H LEU 38 H LEU 38 -1.665 -0.265 -2.704 165 HA LEU 38 HA LEU 38 -3.043 -0.425 -0.241 166 HB2 LEU 38 HB2 LEU 38 -0.401 -1.323 -1.220 167 HB3 LEU 38 HB3 LEU 38 -0.721 -1.337 0.482 168 HG LEU 38 HG LEU 38 -1.232 -3.493 -0.150 169 HD11 LEU 38 HD11 LEU 38 -3.039 -2.275 1.076 170 HD12 LEU 38 HD12 LEU 38 -3.494 -3.784 0.288 171 HD13 LEU 38 HD13 LEU 38 -3.921 -2.226 -0.450 172 HD21 LEU 38 HD21 LEU 38 -2.537 -4.097 -2.132 173 HD22 LEU 38 HD22 LEU 38 -1.071 -3.210 -2.551 174 HD23 LEU 38 HD23 LEU 38 -2.636 -2.391 -2.578 175 H THR 39 H THR 39 -2.714 0.474 1.592 176 HA THR 39 HA THR 39 -0.647 2.500 1.948 177 HB THR 39 HB THR 39 -2.114 4.056 2.968 178 HG1 THR 39 HG1 THR 39 -4.172 2.075 2.732 179 HG21 THR 39 HG21 THR 39 -2.250 3.598 0.385 180 HG22 THR 39 HG22 THR 39 -3.313 4.771 1.159 181 HG23 THR 39 HG23 THR 39 -3.912 3.156 0.777 182 H ALA 40 H ALA 40 -1.120 3.226 4.507 183 HA ALA 40 HA ALA 40 0.077 1.109 5.941 184 HB1 ALA 40 HB1 ALA 40 -1.262 3.566 7.063 185 HB2 ALA 40 HB2 ALA 40 0.404 3.481 6.488 186 HB3 ALA 40 HB3 ALA 40 -0.095 2.533 7.887 187 H ASN 41 H ASN 41 -3.254 2.382 6.059 188 HA ASN 41 HA ASN 41 -4.047 0.657 8.173 189 HB2 ASN 41 HB2 ASN 41 -6.385 1.284 7.420 190 HB3 ASN 41 HB3 ASN 41 -5.352 2.595 7.968 191 HD21 ASN 41 HD21 ASN 41 -6.233 4.242 6.872 192 HD22 ASN 41 HD22 ASN 41 -6.292 4.355 5.144 193 H ASP 42 H ASP 42 -4.160 0.427 4.695 194 HA ASP 42 HA ASP 42 -5.569 -1.986 4.469 195 HB2 ASP 42 HB2 ASP 42 -3.314 -0.946 2.749 196 HB3 ASP 42 HB3 ASP 42 -4.346 -2.307 2.339 197 H VAL 43 H VAL 43 -2.177 -1.310 5.127 198 HA VAL 43 HA VAL 43 -1.182 -3.927 4.984 199 HB VAL 43 HB VAL 43 -0.264 -1.618 6.704 200 HG11 VAL 43 HG11 VAL 43 1.138 -4.191 6.043 201 HG12 VAL 43 HG12 VAL 43 0.506 -3.734 7.632 202 HG13 VAL 43 HG13 VAL 43 1.844 -2.825 6.917 203 HG21 VAL 43 HG21 VAL 43 1.069 -2.682 4.279 204 HG22 VAL 43 HG22 VAL 43 1.247 -1.095 5.029 205 HG23 VAL 43 HG23 VAL 43 -0.229 -1.498 4.140 206 H SER 44 H SER 44 -2.725 -2.177 7.608 207 HA SER 44 HA SER 44 -2.388 -4.032 9.664 208 HB2 SER 44 HB2 SER 44 -3.180 -1.769 10.027 209 HB3 SER 44 HB3 SER 44 -4.679 -2.126 9.179 210 HG SER 44 HG SER 44 -4.136 -3.882 11.218 211 H LYS 45 H LYS 45 -4.417 -4.106 6.884 212 HA LYS 45 HA LYS 45 -6.402 -5.907 7.807 213 HB2 LYS 45 HB2 LYS 45 -5.442 -5.269 5.034 214 HB3 LYS 45 HB1 LYS 45 -6.839 -6.278 5.385 215 HG2 LYS 45 HG2 LYS 45 -7.947 -4.425 6.465 216 HG3 LYS 45 HG1 LYS 45 -6.529 -3.400 6.225 217 HD2 LYS 45 HD2 LYS 45 -8.241 -2.950 4.544 218 HD3 LYS 45 HD1 LYS 45 -6.790 -3.636 3.801 219 HE2 LYS 45 HE2 LYS 45 -7.907 -5.884 4.004 220 HE3 LYS 45 HE1 LYS 45 -9.384 -5.021 4.423 221 HZ1 LYS 45 HZ1 LYS 45 -9.242 -5.589 2.047 222 HZ2 LYS 45 HZ2 LYS 45 -7.873 -4.596 1.900 223 HZ3 LYS 45 HZ3 LYS 45 -9.372 -3.920 2.316 224 H ILE 46 H ILE 46 -3.210 -6.385 6.389 225 HA ILE 46 HA ILE 46 -3.726 -9.224 6.210 226 HB ILE 46 HB ILE 46 -1.533 -9.437 5.178 227 HG12 ILE 46 HG12 ILE 46 -1.377 -6.416 5.171 228 HG13 ILE 46 HG13 ILE 46 -0.471 -7.450 6.277 229 HG21 ILE 46 HG21 ILE 46 -2.123 -8.433 3.069 230 HG22 ILE 46 HG22 ILE 46 -3.280 -7.375 3.877 231 HG23 ILE 46 HG23 ILE 46 -3.538 -9.120 3.863 232 HD11 ILE 46 HD11 ILE 46 -0.301 -7.921 3.336 233 HD12 ILE 46 HD12 ILE 46 0.880 -8.276 4.609 234 HD13 ILE 46 HD13 ILE 46 0.634 -6.609 4.082 235 H ARG 47 H ARG 47 -1.681 -10.533 6.684 236 HA ARG 47 HA ARG 47 -0.228 -9.938 9.045 237 HB2 ARG 47 HB2 ARG 47 -1.324 -11.578 10.539 238 HB3 ARG 47 HB1 ARG 47 -2.400 -10.248 10.132 239 HG2 ARG 47 HG2 ARG 47 -2.502 -12.743 8.508 240 HG3 ARG 47 HG1 ARG 47 -3.259 -12.717 10.106 241 HD2 ARG 47 HD2 ARG 47 -3.858 -10.929 7.752 242 HD3 ARG 47 HD1 ARG 47 -4.921 -12.143 8.472 243 HE ARG 47 HE ARG 47 -4.078 -9.684 9.883 244 HH11 ARG 47 HH11 ARG 47 -6.534 -12.033 9.033 245 HH12 ARG 47 HH12 ARG 47 -7.779 -11.256 9.962 246 HH21 ARG 47 HH21 ARG 47 -5.695 -8.646 11.060 247 HH22 ARG 47 HH22 ARG 47 -7.308 -9.297 11.098 248 H VAL 48 H VAL 48 1.192 -11.600 9.605 249 HA VAL 48 HA VAL 48 2.036 -13.122 7.364 250 HB VAL 48 HB VAL 48 3.142 -13.716 10.029 251 HG11 VAL 48 HG11 VAL 48 4.343 -13.011 7.358 252 HG12 VAL 48 HG12 VAL 48 4.147 -14.640 8.015 253 HG13 VAL 48 HG13 VAL 48 5.258 -13.506 8.784 254 HG21 VAL 48 HG21 VAL 48 3.337 -11.023 8.724 255 HG22 VAL 48 HG22 VAL 48 4.454 -11.582 9.972 256 HG23 VAL 48 HG23 VAL 48 2.738 -11.385 10.342 257 H GLY 49 H GLY 49 1.975 -15.349 7.089 258 HA2 GLY 49 HA3 GLY 49 1.537 -17.545 8.146 259 HA3 GLY 49 HA2 GLY 49 0.181 -16.771 8.952 260 H MET 50 H MET 50 -0.427 -15.242 6.404 261 HA MET 50 HA MET 50 -1.803 -17.458 5.107 262 HB2 MET 50 HB2 MET 50 -3.141 -15.718 3.922 263 HB3 MET 50 HB3 MET 50 -3.357 -15.778 5.659 264 HG2 MET 50 HG2 MET 50 -2.034 -13.793 5.928 265 HG3 MET 50 HG3 MET 50 -1.635 -13.794 4.214 266 HE1 MET 50 HE1 MET 50 -3.721 -10.818 3.890 267 HE2 MET 50 HE2 MET 50 -2.194 -11.423 4.551 268 HE3 MET 50 HE3 MET 50 -3.513 -10.988 5.637 269 H THR 51 H THR 51 -2.238 -16.751 2.615 270 HA THR 51 HA THR 51 0.427 -17.281 1.560 271 HB THR 51 HB THR 51 -0.790 -18.113 -0.431 272 HG1 THR 51 HG1 THR 51 -3.147 -18.411 0.020 273 HG21 THR 51 HG21 THR 51 -1.597 -19.176 2.240 274 HG22 THR 51 HG22 THR 51 -0.242 -19.709 1.242 275 HG23 THR 51 HG23 THR 51 -1.904 -20.013 0.727 276 H GLN 52 H GLN 52 0.566 -16.687 -0.892 277 HA GLN 52 HA GLN 52 0.551 -13.900 -1.200 278 HB2 GLN 52 HB2 GLN 52 0.697 -16.114 -3.252 279 HB3 GLN 52 HB3 GLN 52 0.986 -14.417 -3.585 280 HG2 GLN 52 HG2 GLN 52 2.860 -14.421 -2.024 281 HG3 GLN 52 HG3 GLN 52 2.576 -16.128 -1.701 282 HE21 GLN 52 HE21 GLN 52 2.266 -14.692 -4.868 283 HE22 GLN 52 HE22 GLN 52 3.648 -15.455 -5.565 284 H GLN 53 H GLN 53 -1.664 -16.473 -2.265 285 HA GLN 53 HA GLN 53 -3.302 -14.749 -3.813 286 HB2 GLN 53 HB2 GLN 53 -4.959 -16.506 -3.778 287 HB3 GLN 53 HB3 GLN 53 -3.381 -17.200 -4.054 288 HG2 GLN 53 HG2 GLN 53 -3.331 -18.164 -1.969 289 HG3 GLN 53 HG3 GLN 53 -4.582 -17.111 -1.326 290 HE21 GLN 53 HE21 GLN 53 -6.735 -17.539 -1.826 291 HE22 GLN 53 HE22 GLN 53 -7.253 -19.074 -2.426 292 H GLN 54 H GLN 54 -3.310 -15.728 -0.460 293 HA GLN 54 HA GLN 54 -5.768 -14.540 0.202 294 HB2 GLN 54 HB2 GLN 54 -3.412 -15.344 1.872 295 HB3 GLN 54 HB3 GLN 54 -4.856 -14.623 2.574 296 HG2 GLN 54 HG2 GLN 54 -6.209 -16.436 1.642 297 HG3 GLN 54 HG3 GLN 54 -4.751 -17.137 0.938 298 HE21 GLN 54 HE21 GLN 54 -3.374 -18.244 2.134 299 HE22 GLN 54 HE22 GLN 54 -3.658 -18.684 3.777 300 H VAL 55 H VAL 55 -2.413 -13.318 0.444 301 HA VAL 55 HA VAL 55 -3.172 -10.836 1.568 302 HB VAL 55 HB VAL 55 -0.664 -11.654 0.121 303 HG11 VAL 55 HG11 VAL 55 -1.148 -9.110 1.658 304 HG12 VAL 55 HG12 VAL 55 -1.136 -9.210 -0.100 305 HG13 VAL 55 HG13 VAL 55 0.335 -9.575 0.816 306 HG21 VAL 55 HG21 VAL 55 -0.975 -10.947 2.995 307 HG22 VAL 55 HG22 VAL 55 0.267 -11.939 2.219 308 HG23 VAL 55 HG23 VAL 55 -1.374 -12.574 2.418 309 H ALA 56 H ALA 56 -2.430 -11.787 -1.797 310 HA ALA 56 HA ALA 56 -2.657 -9.166 -2.825 311 HB1 ALA 56 HB1 ALA 56 -3.211 -11.692 -4.371 312 HB2 ALA 56 HB2 ALA 56 -1.593 -11.084 -4.018 313 HB3 ALA 56 HB3 ALA 56 -2.697 -10.128 -4.999 314 H TYR 57 H TYR 57 -5.012 -11.558 -1.985 315 HA TYR 57 HA TYR 57 -7.146 -10.180 -3.331 316 HB2 TYR 57 HB2 TYR 57 -6.923 -12.614 -1.638 317 HB3 TYR 57 HB3 TYR 57 -8.504 -11.847 -1.803 318 HD1 TYR 57 HD2 TYR 57 -5.865 -11.924 -4.436 319 HD2 TYR 57 HD1 TYR 57 -9.600 -13.510 -3.099 320 HE1 TYR 57 HE2 TYR 57 -6.204 -12.970 -6.611 321 HE2 TYR 57 HE1 TYR 57 -9.928 -14.568 -5.294 322 HH TYR 57 HH TYR 57 -7.426 -14.785 -7.626 323 H ALA 58 H ALA 58 -5.931 -10.446 -0.011 324 HA ALA 58 HA ALA 58 -7.916 -8.866 1.238 325 HB1 ALA 58 HB1 ALA 58 -5.024 -9.177 2.071 326 HB2 ALA 58 HB2 ALA 58 -6.305 -10.349 2.413 327 HB3 ALA 58 HB3 ALA 58 -6.399 -8.725 3.096 328 H LEU 59 H LEU 59 -4.710 -8.163 0.036 329 HA LEU 59 HA LEU 59 -4.824 -5.386 0.755 330 HB2 LEU 59 HB2 LEU 59 -2.865 -7.360 0.232 331 HB3 LEU 59 HB3 LEU 59 -2.612 -6.085 -0.939 332 HG LEU 59 HG LEU 59 -2.133 -4.499 0.719 333 HD11 LEU 59 HD11 LEU 59 -3.485 -6.436 2.539 334 HD12 LEU 59 HD12 LEU 59 -3.888 -4.744 2.244 335 HD13 LEU 59 HD13 LEU 59 -2.440 -5.161 3.166 336 HD21 LEU 59 HD21 LEU 59 -1.079 -7.145 1.655 337 HD22 LEU 59 HD22 LEU 59 -0.413 -5.565 2.080 338 HD23 LEU 59 HD23 LEU 59 -0.366 -6.125 0.406 339 H GLY 60 H GLY 60 -4.683 -7.271 -2.213 340 HA2 GLY 60 HA3 GLY 60 -5.923 -6.311 -4.161 341 HA3 GLY 60 HA2 GLY 60 -5.108 -4.798 -3.762 342 H THR 61 H THR 61 -5.007 -7.211 -5.890 343 HA THR 61 HA THR 61 -2.404 -8.183 -5.875 344 HB THR 61 HB THR 61 -2.740 -8.593 -8.307 345 HG1 THR 61 HG1 THR 61 -4.208 -6.594 -8.376 346 HG21 THR 61 HG21 THR 61 -3.570 -10.143 -6.537 347 HG22 THR 61 HG22 THR 61 -4.516 -10.206 -8.027 348 HG23 THR 61 HG23 THR 61 -5.137 -9.334 -6.625 349 HA PRO 62 HA PRO 62 0.080 -4.689 -6.492 350 HB2 PRO 62 HB2 PRO 62 1.943 -6.512 -7.858 351 HB3 PRO 62 HB3 PRO 62 2.194 -5.531 -6.417 352 HG2 PRO 62 HG2 PRO 62 1.918 -8.170 -6.221 353 HG3 PRO 62 HG3 PRO 62 1.180 -7.090 -5.022 354 HD2 PRO 62 HD2 PRO 62 -0.092 -8.494 -7.344 355 HD3 PRO 62 HD3 PRO 62 -0.699 -8.296 -5.689 356 H LEU 63 H LEU 63 1.090 -3.377 -8.037 357 HA LEU 63 HA LEU 63 -0.578 -2.869 -10.222 358 HB2 LEU 63 HB2 LEU 63 2.225 -1.842 -9.954 359 HB3 LEU 63 HB3 LEU 63 0.840 -1.045 -10.674 360 HG LEU 63 HG LEU 63 0.684 -1.695 -7.780 361 HD11 LEU 63 HD11 LEU 63 2.969 -0.843 -8.155 362 HD12 LEU 63 HD12 LEU 63 1.973 0.236 -7.166 363 HD13 LEU 63 HD13 LEU 63 2.275 0.620 -8.863 364 HD21 LEU 63 HD21 LEU 63 -1.191 -0.644 -8.948 365 HD22 LEU 63 HD22 LEU 63 -0.141 0.680 -9.450 366 HD23 LEU 63 HD23 LEU 63 -0.505 0.443 -7.741 367 H MET 64 H MET 64 2.444 -4.566 -9.942 368 HA MET 64 HA MET 64 3.087 -4.798 -12.666 369 HB2 MET 64 HB2 MET 64 4.299 -6.907 -11.940 370 HB3 MET 64 HB3 MET 64 4.763 -5.413 -11.146 371 HG2 MET 64 HG2 MET 64 3.186 -6.096 -9.278 372 HG3 MET 64 HG3 MET 64 3.146 -7.695 -10.028 373 HE1 MET 64 HE1 MET 64 4.816 -9.100 -7.721 374 HE2 MET 64 HE2 MET 64 3.579 -7.847 -7.558 375 HE3 MET 64 HE3 MET 64 5.141 -7.657 -6.752 376 H SER 65 H SER 65 0.377 -5.927 -11.113 377 HA SER 65 HA SER 65 -1.448 -6.985 -11.924 378 HB2 SER 65 HB2 SER 65 -0.757 -5.938 -14.098 379 HB3 SER 65 HB3 SER 65 0.088 -7.434 -14.487 380 HG SER 65 HG SER 65 -2.625 -7.507 -13.739 381 H ASP 66 H ASP 66 1.405 -8.394 -11.353 382 HA ASP 66 HA ASP 66 0.212 -11.042 -11.277 383 HB2 ASP 66 HB2 ASP 66 1.400 -11.408 -13.191 384 HB3 ASP 66 HB3 ASP 66 2.691 -10.290 -12.758 385 HA PRO 67 HA PRO 67 2.152 -10.400 -7.289 386 HB2 PRO 67 HB2 PRO 67 0.316 -11.840 -5.920 387 HB3 PRO 67 HB3 PRO 67 0.009 -10.176 -6.432 388 HG2 PRO 67 HG2 PRO 67 -0.911 -12.741 -7.684 389 HG3 PRO 67 HG3 PRO 67 -1.820 -11.238 -7.420 390 HD2 PRO 67 HD2 PRO 67 -0.664 -11.915 -9.837 391 HD3 PRO 67 HD3 PRO 67 -0.948 -10.246 -9.305 392 H PHE 68 H PHE 68 1.202 -13.298 -9.019 393 HA PHE 68 HA PHE 68 2.279 -15.091 -7.036 394 HB2 PHE 68 HB2 PHE 68 0.991 -15.623 -9.716 395 HB3 PHE 68 HB3 PHE 68 1.397 -16.841 -8.519 396 HD1 PHE 68 HD2 PHE 68 0.559 -15.150 -6.101 397 HD2 PHE 68 HD1 PHE 68 -1.344 -16.061 -9.793 398 HE1 PHE 68 HE2 PHE 68 -1.639 -14.841 -5.039 399 HE2 PHE 68 HE1 PHE 68 -3.547 -15.746 -8.741 400 HZ PHE 68 HZ PHE 68 -3.694 -15.138 -6.358 401 H GLY 69 H GLY 69 3.644 -13.393 -9.557 402 HA2 GLY 69 HA3 GLY 69 5.382 -15.556 -10.455 403 HA3 GLY 69 HA2 GLY 69 5.359 -13.910 -11.074 404 H THR 70 H THR 70 5.362 -13.126 -8.095 405 HA THR 70 HA THR 70 8.265 -13.416 -7.716 406 HB THR 70 HB THR 70 7.524 -11.109 -8.507 407 HG1 THR 70 HG1 THR 70 9.176 -10.342 -7.380 408 HG21 THR 70 HG21 THR 70 5.428 -11.033 -7.249 409 HG22 THR 70 HG22 THR 70 6.474 -9.659 -6.869 410 HG23 THR 70 HG23 THR 70 6.349 -11.010 -5.742 411 H ASN 71 H ASN 71 8.844 -12.755 -5.395 412 HA ASN 71 HA ASN 71 6.794 -13.700 -3.507 413 HB2 ASN 71 HB2 ASN 71 9.733 -14.451 -3.487 414 HB3 ASN 71 HB3 ASN 71 8.575 -14.859 -2.223 415 HD21 ASN 71 HD21 ASN 71 6.983 -16.415 -2.649 416 HD22 ASN 71 HD22 ASN 71 7.119 -17.514 -3.971 417 H THR 72 H THR 72 7.945 -11.073 -4.429 418 HA THR 72 HA THR 72 8.305 -9.928 -1.770 419 HB THR 72 HB THR 72 10.076 -9.167 -4.095 420 HG1 THR 72 HG1 THR 72 10.285 -11.204 -2.222 421 HG21 THR 72 HG21 THR 72 9.624 -7.476 -2.342 422 HG22 THR 72 HG22 THR 72 11.319 -7.950 -2.435 423 HG23 THR 72 HG23 THR 72 10.296 -8.586 -1.147 424 H TRP 73 H TRP 73 6.674 -8.531 -1.624 425 HA TRP 73 HA TRP 73 5.726 -7.199 -4.073 426 HB2 TRP 73 HB2 TRP 73 4.284 -7.872 -1.502 427 HB3 TRP 73 HB3 TRP 73 3.569 -6.940 -2.810 428 HD1 TRP 73 HD TRP 73 5.425 -9.298 -4.693 429 HE1 TRP 73 HE1 TRP 73 4.076 -11.408 -5.287 430 HE3 TRP 73 HE3 TRP 73 1.598 -8.776 -1.358 431 HZ2 TRP 73 HZ2 TRP 73 1.705 -12.662 -4.459 432 HZ3 TRP 73 HZ3 TRP 73 -0.171 -10.475 -1.332 433 HH2 TRP 73 HH TRP 73 -0.116 -12.376 -2.852 434 H PHE 74 H PHE 74 5.202 -4.954 -4.015 435 HA PHE 74 HA PHE 74 6.483 -3.504 -1.787 436 HB2 PHE 74 HB2 PHE 74 6.611 -2.558 -4.648 437 HB3 PHE 74 HB3 PHE 74 7.569 -2.014 -3.272 438 HD1 PHE 74 HD2 PHE 74 9.171 -3.772 -2.223 439 HD2 PHE 74 HD1 PHE 74 7.459 -4.121 -6.103 440 HE1 PHE 74 HE2 PHE 74 10.945 -5.358 -2.863 441 HE2 PHE 74 HE1 PHE 74 9.229 -5.700 -6.750 442 HZ PHE 74 HZ PHE 74 10.976 -6.318 -5.126 443 H TYR 75 H TYR 75 5.019 -2.336 -0.777 444 HA TYR 75 HA TYR 75 3.016 -0.823 -2.338 445 HB2 TYR 75 HB2 TYR 75 2.537 -1.997 0.405 446 HB3 TYR 75 HB3 TYR 75 1.362 -1.205 -0.632 447 HD1 TYR 75 HD1 TYR 75 1.362 -2.400 -3.134 448 HD2 TYR 75 HD2 TYR 75 2.260 -4.219 0.588 449 HE1 TYR 75 HE1 TYR 75 0.760 -4.596 -4.071 450 HE2 TYR 75 HE2 TYR 75 1.684 -6.417 -0.316 451 HH TYR 75 HH TYR 75 0.249 -7.313 -2.173 452 H VAL 76 H VAL 76 2.024 0.936 -0.641 453 HA VAL 76 HA VAL 76 4.381 2.132 0.667 454 HB VAL 76 HB VAL 76 3.735 3.165 -1.595 455 HG11 VAL 76 HG11 VAL 76 1.336 3.216 -1.310 456 HG12 VAL 76 HG12 VAL 76 1.960 4.849 -1.542 457 HG13 VAL 76 HG13 VAL 76 1.503 4.300 0.071 458 HG21 VAL 76 HG21 VAL 76 3.835 5.065 0.739 459 HG22 VAL 76 HG22 VAL 76 4.378 5.368 -0.909 460 HG23 VAL 76 HG23 VAL 76 5.237 4.208 0.103 461 H PHE 77 H PHE 77 3.491 4.134 2.048 462 HA PHE 77 HA PHE 77 1.541 2.879 3.824 463 HB2 PHE 77 HB2 PHE 77 4.007 4.223 4.261 464 HB3 PHE 77 HB3 PHE 77 2.735 5.179 5.013 465 HD1 PHE 77 HD2 PHE 77 2.624 1.531 4.619 466 HD2 PHE 77 HD1 PHE 77 3.325 4.774 7.276 467 HE1 PHE 77 HE2 PHE 77 2.563 -0.027 6.518 468 HE2 PHE 77 HE1 PHE 77 3.268 3.226 9.187 469 HZ PHE 77 HZ PHE 77 2.886 0.822 8.812 470 H ARG 78 H ARG 78 0.182 4.416 5.115 471 HA ARG 78 HA ARG 78 -1.277 6.095 3.235 472 HB2 ARG 78 HB2 ARG 78 -2.585 4.466 4.466 473 HB3 ARG 78 HB1 ARG 78 -1.961 5.053 5.998 474 HG2 ARG 78 HG2 ARG 78 -3.098 7.226 4.703 475 HG3 ARG 78 HG1 ARG 78 -4.230 5.897 4.499 476 HD2 ARG 78 HD2 ARG 78 -4.833 6.982 6.522 477 HD3 ARG 78 HD1 ARG 78 -4.010 5.494 6.982 478 HE ARG 78 HE ARG 78 -1.991 6.947 7.327 479 HH11 ARG 78 HH11 ARG 78 -5.240 8.256 7.559 480 HH12 ARG 78 HH12 ARG 78 -4.760 9.566 8.594 481 HH21 ARG 78 HH21 ARG 78 -1.375 8.644 8.723 482 HH22 ARG 78 HH22 ARG 78 -2.572 9.788 9.255 483 H GLN 79 H GLN 79 -0.685 8.159 3.157 484 HA GLN 79 HA GLN 79 -0.016 10.243 3.760 485 HB2 GLN 79 HB2 GLN 79 -2.232 10.266 4.681 486 HB3 GLN 79 HB3 GLN 79 -1.669 9.469 6.131 487 HG2 GLN 79 HG2 GLN 79 -0.415 11.436 6.771 488 HG3 GLN 79 HG3 GLN 79 -0.860 12.232 5.261 489 HE21 GLN 79 HE21 GLN 79 -2.932 13.017 5.001 490 HE22 GLN 79 HE22 GLN 79 -4.027 13.208 6.322 491 H GLN 80 H GLN 80 2.177 9.401 3.839 492 HA GLN 80 HA GLN 80 3.303 9.053 6.494 493 HB2 GLN 80 HB2 GLN 80 5.300 8.284 5.309 494 HB3 GLN 80 HB3 GLN 80 3.890 7.404 4.805 495 HG2 GLN 80 HG2 GLN 80 5.247 9.558 3.285 496 HG3 GLN 80 HG3 GLN 80 5.322 7.853 2.940 497 HE21 GLN 80 HE21 GLN 80 3.518 10.763 2.677 498 HE22 GLN 80 HE22 GLN 80 2.292 10.157 1.611 499 HA PRO 81 HA PRO 81 4.670 13.201 6.767 500 HB2 PRO 81 HB2 PRO 81 6.983 12.133 8.269 501 HB3 PRO 81 HB3 PRO 81 5.726 13.257 8.794 502 HG2 PRO 81 HG2 PRO 81 5.783 10.740 9.690 503 HG3 PRO 81 HG3 PRO 81 4.248 11.560 9.344 504 HD2 PRO 81 HD2 PRO 81 5.733 9.544 7.695 505 HD3 PRO 81 HD3 PRO 81 3.990 9.669 8.006 506 H GLY 82 H GLY 82 5.453 14.031 4.935 507 HA2 GLY 82 HA3 GLY 82 7.800 12.848 3.666 508 HA3 GLY 82 HA2 GLY 82 6.733 14.061 2.974 509 H HIS 83 H HIS 83 7.305 16.129 3.032 510 HA HIS 83 HA HIS 83 8.465 18.034 3.386 511 HB2 HIS 83 HB2 HIS 83 8.246 17.483 5.830 512 HB3 HIS 83 HB1 HIS 83 9.823 16.705 5.736 513 HD1 HIS 83 HD1 HIS 83 8.543 20.099 4.550 514 HD2 HIS 83 HD2 HIS 83 11.641 18.417 6.758 515 HE1 HIS 83 HE1 HIS 83 9.997 22.024 5.261 516 HE2 HIS 83 HE2 HIS 83 11.707 21.003 6.802 517 H GLU 84 H GLU 84 10.261 15.021 3.494 518 HA GLU 84 HA GLU 84 12.598 16.207 2.269 519 HB2 GLU 84 HB2 GLU 84 11.849 13.343 2.844 520 HB3 GLU 84 HB3 GLU 84 13.375 13.836 2.123 521 HG2 GLU 84 HG2 GLU 84 13.962 15.067 4.103 522 HG3 GLU 84 HG3 GLU 84 12.390 14.720 4.816 523 H GLY 85 H GLY 85 13.357 14.523 0.304 524 HA2 GLY 85 HA3 GLY 85 11.437 15.001 -1.809 525 HA3 GLY 85 HA2 GLY 85 13.012 14.227 -1.977 526 H VAL 86 H VAL 86 13.003 12.119 -0.453 527 HA VAL 86 HA VAL 86 10.514 10.634 -0.943 528 HB VAL 86 HB VAL 86 13.235 9.381 -1.142 529 HG11 VAL 86 HG11 VAL 86 10.497 8.426 -1.942 530 HG12 VAL 86 HG12 VAL 86 11.460 7.845 -0.582 531 HG13 VAL 86 HG13 VAL 86 12.003 7.557 -2.236 532 HG21 VAL 86 HG21 VAL 86 11.480 10.397 -3.365 533 HG22 VAL 86 HG22 VAL 86 12.880 9.345 -3.597 534 HG23 VAL 86 HG23 VAL 86 13.095 10.970 -2.943 535 H THR 87 H THR 87 9.893 9.310 0.718 536 HA THR 87 HA THR 87 11.611 8.548 2.862 537 HB THR 87 HB THR 87 11.241 10.930 3.392 538 HG1 THR 87 HG1 THR 87 11.551 9.617 5.174 539 HG21 THR 87 HG21 THR 87 9.032 11.187 2.395 540 HG22 THR 87 HG22 THR 87 9.020 11.700 4.084 541 HG23 THR 87 HG23 THR 87 8.341 10.135 3.629 542 H GLN 88 H GLN 88 9.010 7.996 0.971 543 HA GLN 88 HA GLN 88 6.937 7.275 2.652 544 HB2 GLN 88 HB2 GLN 88 7.671 6.210 -0.066 545 HB3 GLN 88 HB3 GLN 88 6.134 5.972 0.731 546 HG2 GLN 88 HG2 GLN 88 6.006 8.510 0.857 547 HG3 GLN 88 HG3 GLN 88 7.290 8.481 -0.340 548 HE21 GLN 88 HE21 GLN 88 3.981 8.007 0.271 549 HE22 GLN 88 HE22 GLN 88 3.490 7.730 -1.373 550 H GLN 89 H GLN 89 6.543 5.615 3.879 551 HA GLN 89 HA GLN 89 8.535 3.561 4.201 552 HB2 GLN 89 HB2 GLN 89 5.913 4.055 5.628 553 HB3 GLN 89 HB3 GLN 89 7.065 2.802 6.069 554 HG2 GLN 89 HG2 GLN 89 8.715 4.407 6.649 555 HG3 GLN 89 HG3 GLN 89 7.742 5.723 5.999 556 HE21 GLN 89 HE21 GLN 89 7.753 6.825 7.922 557 HE22 GLN 89 HE22 GLN 89 6.843 6.319 9.300 558 H THR 90 H THR 90 8.560 1.966 2.785 559 HA THR 90 HA THR 90 6.135 1.197 1.400 560 HB THR 90 HB THR 90 7.738 -0.255 0.079 561 HG1 THR 90 HG1 THR 90 9.370 0.360 2.047 562 HG21 THR 90 HG21 THR 90 6.955 2.144 -0.422 563 HG22 THR 90 HG22 THR 90 8.332 1.499 -1.318 564 HG23 THR 90 HG23 THR 90 8.594 2.613 0.030 565 H LEU 91 H LEU 91 5.203 -0.754 1.421 566 HA LEU 91 HA LEU 91 5.974 -2.600 3.546 567 HB2 LEU 91 HB2 LEU 91 3.557 -1.958 3.165 568 HB3 LEU 91 HB3 LEU 91 3.638 -2.826 1.641 569 HG LEU 91 HG LEU 91 4.289 -4.880 2.960 570 HD11 LEU 91 HD11 LEU 91 3.450 -4.755 5.364 571 HD12 LEU 91 HD12 LEU 91 3.639 -2.999 5.203 572 HD13 LEU 91 HD13 LEU 91 5.037 -4.063 5.005 573 HD21 LEU 91 HD21 LEU 91 2.030 -5.359 3.782 574 HD22 LEU 91 HD22 LEU 91 2.053 -4.714 2.130 575 HD23 LEU 91 HD23 LEU 91 1.587 -3.672 3.478 576 H THR 92 H THR 92 7.459 -4.067 3.055 577 HA THR 92 HA THR 92 7.549 -5.116 0.308 578 HB THR 92 HB THR 92 9.681 -5.329 2.447 579 HG1 THR 92 HG1 THR 92 9.831 -3.246 1.971 580 HG21 THR 92 HG21 THR 92 9.746 -7.063 0.697 581 HG22 THR 92 HG22 THR 92 11.138 -5.982 0.610 582 HG23 THR 92 HG23 THR 92 9.808 -5.801 -0.535 583 H LEU 93 H LEU 93 6.324 -6.905 0.219 584 HA LEU 93 HA LEU 93 6.044 -8.479 2.649 585 HB2 LEU 93 HB2 LEU 93 4.142 -7.739 0.924 586 HB3 LEU 93 HB3 LEU 93 4.603 -9.264 0.179 587 HG LEU 93 HG LEU 93 4.225 -10.350 2.374 588 HD11 LEU 93 HD11 LEU 93 2.646 -8.769 3.782 589 HD12 LEU 93 HD12 LEU 93 3.675 -7.534 3.070 590 HD13 LEU 93 HD13 LEU 93 4.382 -8.829 4.039 591 HD21 LEU 93 HD21 LEU 93 1.735 -8.929 1.701 592 HD22 LEU 93 HD22 LEU 93 2.011 -10.640 2.009 593 HD23 LEU 93 HD23 LEU 93 2.486 -9.922 0.462 594 H THR 94 H THR 94 7.164 -10.258 3.005 595 HA THR 94 HA THR 94 8.706 -11.390 0.816 596 HB THR 94 HB THR 94 9.076 -11.350 3.807 597 HG1 THR 94 HG1 THR 94 10.620 -9.916 3.379 598 HG21 THR 94 HG21 THR 94 9.680 -13.518 2.926 599 HG22 THR 94 HG22 THR 94 11.101 -12.631 3.479 600 HG23 THR 94 HG23 THR 94 10.753 -12.762 1.751 601 H PHE 95 H PHE 95 8.188 -13.327 0.083 602 HA PHE 95 HA PHE 95 6.510 -15.108 1.731 603 HB2 PHE 95 HB2 PHE 95 6.542 -14.642 -1.242 604 HB3 PHE 95 HB3 PHE 95 5.779 -16.046 -0.517 605 HD1 PHE 95 HD2 PHE 95 3.926 -15.720 1.065 606 HD2 PHE 95 HD1 PHE 95 5.454 -12.553 -1.297 607 HE1 PHE 95 HE2 PHE 95 1.851 -14.472 1.439 608 HE2 PHE 95 HE1 PHE 95 3.379 -11.285 -0.939 609 HZ PHE 95 HZ PHE 95 1.577 -12.253 0.436 610 H ASN 96 H ASN 96 7.110 -17.173 1.990 611 HA ASN 96 HA ASN 96 9.718 -18.008 1.127 612 HB2 ASN 96 HB2 ASN 96 9.197 -20.124 2.301 613 HB3 ASN 96 HB3 ASN 96 8.948 -18.708 3.308 614 HD21 ASN 96 HD21 ASN 96 7.579 -19.726 4.691 615 HD22 ASN 96 HD22 ASN 96 5.966 -20.177 4.257 616 H SER 97 H SER 97 9.558 -20.622 0.456 617 HA SER 97 HA SER 97 9.158 -20.500 -2.290 618 HB2 SER 97 HB2 SER 97 9.366 -23.029 -2.152 619 HB3 SER 97 HB3 SER 97 10.676 -22.109 -1.412 620 HG SER 97 HG SER 97 8.753 -23.737 -0.249 621 H SER 98 H SER 98 6.911 -21.555 0.229 622 HA SER 98 HA SER 98 5.162 -22.858 -1.657 623 HB2 SER 98 HB2 SER 98 5.500 -23.656 0.688 624 HB3 SER 98 HB3 SER 98 4.686 -22.204 1.258 625 HG SER 98 HG SER 98 3.609 -24.319 -0.302 626 H GLY 99 H GLY 99 5.735 -19.699 -0.900 627 HA2 GLY 99 HA3 GLY 99 4.576 -17.820 -1.642 628 HA3 GLY 99 HA2 GLY 99 3.206 -18.854 -2.039 629 H VAL 100 H VAL 100 4.767 -18.988 1.036 630 HA VAL 100 HA VAL 100 2.313 -17.986 2.298 631 HB VAL 100 HB VAL 100 4.535 -19.568 3.596 632 HG11 VAL 100 HG11 VAL 100 1.678 -19.042 4.402 633 HG12 VAL 100 HG12 VAL 100 3.127 -18.379 5.158 634 HG13 VAL 100 HG13 VAL 100 2.794 -20.108 5.257 635 HG21 VAL 100 HG21 VAL 100 2.039 -20.575 2.242 636 HG22 VAL 100 HG22 VAL 100 3.017 -21.540 3.348 637 HG23 VAL 100 HG23 VAL 100 3.715 -20.955 1.834 638 H LEU 101 H LEU 101 2.386 -16.260 3.663 639 HA LEU 101 HA LEU 101 4.462 -14.415 3.527 640 HB2 LEU 101 HB2 LEU 101 1.990 -14.749 5.061 641 HB3 LEU 101 HB3 LEU 101 3.208 -13.754 5.837 642 HG LEU 101 HG LEU 101 2.036 -13.327 3.113 643 HD11 LEU 101 HD11 LEU 101 1.826 -11.738 5.648 644 HD12 LEU 101 HD12 LEU 101 0.552 -12.754 4.977 645 HD13 LEU 101 HD13 LEU 101 1.092 -11.319 4.104 646 HD21 LEU 101 HD21 LEU 101 4.060 -11.698 4.598 647 HD22 LEU 101 HD22 LEU 101 3.352 -11.304 3.036 648 HD23 LEU 101 HD23 LEU 101 4.399 -12.719 3.206 649 H THR 102 H THR 102 6.310 -14.252 4.466 650 HA THR 102 HA THR 102 6.782 -15.761 6.951 651 HB THR 102 HB THR 102 9.048 -16.035 6.370 652 HG1 THR 102 HG1 THR 102 10.121 -14.639 5.148 653 HG21 THR 102 HG21 THR 102 7.340 -17.265 4.944 654 HG22 THR 102 HG22 THR 102 8.987 -17.175 4.311 655 HG23 THR 102 HG23 THR 102 7.733 -16.101 3.679 656 H ASN 103 H ASN 103 7.197 -12.697 5.283 657 HA ASN 103 HA ASN 103 7.348 -11.385 7.891 658 HB2 ASN 103 HB2 ASN 103 9.709 -11.859 7.097 659 HB3 ASN 103 HB3 ASN 103 9.389 -10.743 5.773 660 HD21 ASN 103 HD21 ASN 103 10.901 -9.265 6.377 661 HD22 ASN 103 HD22 ASN 103 10.738 -8.276 7.789 662 H ILE 104 H ILE 104 6.705 -9.288 7.919 663 HA ILE 104 HA ILE 104 5.680 -8.114 5.411 664 HB ILE 104 HB ILE 104 4.870 -7.070 8.103 665 HG12 ILE 104 HG12 ILE 104 4.475 -9.529 8.208 666 HG13 ILE 104 HG13 ILE 104 3.010 -8.568 8.334 667 HG21 ILE 104 HG21 ILE 104 3.474 -7.193 5.424 668 HG22 ILE 104 HG22 ILE 104 4.222 -5.792 6.180 669 HG23 ILE 104 HG23 ILE 104 2.784 -6.515 6.897 670 HD11 ILE 104 HD11 ILE 104 2.599 -9.042 5.923 671 HD12 ILE 104 HD12 ILE 104 2.555 -10.455 6.983 672 HD13 ILE 104 HD13 ILE 104 3.972 -10.154 5.972 673 H ASP 105 H ASP 105 7.517 -6.957 4.784 674 HA ASP 105 HA ASP 105 9.105 -5.691 6.890 675 HB2 ASP 105 HB2 ASP 105 10.077 -7.183 5.065 676 HB3 ASP 105 HB3 ASP 105 9.805 -5.845 3.971 677 H ASN 106 H ASN 106 8.129 -3.771 7.391 678 HA ASN 106 HA ASN 106 7.657 -1.954 5.131 679 HB2 ASN 106 HB2 ASN 106 5.662 -2.332 6.417 680 HB3 ASN 106 HB3 ASN 106 6.476 -1.873 7.907 681 HD21 ASN 106 HD21 ASN 106 5.224 -0.755 4.860 682 HD22 ASN 106 HD22 ASN 106 5.128 0.914 5.288 683 H LYS 107 H LYS 107 9.427 -0.929 4.792 684 HA LYS 107 HA LYS 107 10.641 0.604 6.980 685 HB2 LYS 107 HB2 LYS 107 12.101 -0.483 4.586 686 HB3 LYS 107 HB1 LYS 107 12.802 0.293 5.994 687 HG2 LYS 107 HG2 LYS 107 11.823 -1.566 7.328 688 HG3 LYS 107 HG1 LYS 107 11.484 -2.383 5.816 689 HD2 LYS 107 HD2 LYS 107 13.816 -2.432 5.238 690 HD3 LYS 107 HD1 LYS 107 14.230 -1.458 6.652 691 HE2 LYS 107 HE2 LYS 107 13.720 -3.206 8.134 692 HE3 LYS 107 HE1 LYS 107 12.853 -4.112 6.897 693 HZ1 LYS 107 HZ1 LYS 107 15.108 -4.972 7.466 694 HZ2 LYS 107 HZ2 LYS 107 15.765 -3.572 6.764 695 HZ3 LYS 107 HZ3 LYS 107 14.868 -4.650 5.819 696 HA PRO 108 HA PRO 108 10.052 4.146 4.467 697 HB2 PRO 108 HB2 PRO 108 12.135 5.663 5.427 698 HB3 PRO 108 HB3 PRO 108 10.570 5.483 6.210 699 HG2 PRO 108 HG2 PRO 108 13.175 4.381 6.951 700 HG3 PRO 108 HG3 PRO 108 11.714 4.565 7.933 701 HD2 PRO 108 HD2 PRO 108 12.730 2.182 6.758 702 HD3 PRO 108 HD3 PRO 108 11.205 2.390 7.620 703 H ALA 109 H ALA 109 10.769 5.103 2.641 704 HA ALA 109 HA ALA 109 12.769 3.739 1.134 705 HB1 ALA 109 HB1 ALA 109 11.269 6.252 0.478 706 HB2 ALA 109 HB2 ALA 109 10.745 4.603 0.129 707 HB3 ALA 109 HB3 ALA 109 12.194 5.252 -0.646 708 H LEU 110 H LEU 110 14.132 5.248 -0.308 709 HA LEU 110 HA LEU 110 16.344 6.054 1.122 710 HB2 LEU 110 HB2 LEU 110 15.537 7.187 -1.544 711 HB3 LEU 110 HB3 LEU 110 17.160 7.002 -0.901 712 HG LEU 110 HG LEU 110 15.327 4.694 -1.545 713 HD11 LEU 110 HD11 LEU 110 16.883 4.374 -3.476 714 HD12 LEU 110 HD12 LEU 110 17.516 5.991 -3.160 715 HD13 LEU 110 HD13 LEU 110 15.821 5.777 -3.606 716 HD21 LEU 110 HD21 LEU 110 16.944 4.026 0.055 717 HD22 LEU 110 HD22 LEU 110 18.234 4.883 -0.789 718 HD23 LEU 110 HD23 LEU 110 17.506 3.450 -1.518 719 H SER 111 H SER 111 16.264 7.483 2.663 720 HA SER 111 HA SER 111 14.614 9.784 2.671 721 HB2 SER 111 HB2 SER 111 16.934 9.051 4.463 722 HB3 SER 111 HB3 SER 111 15.665 10.215 4.813 723 HG SER 111 HG SER 111 14.748 7.712 4.114 724 H GLY 112 H GLY 112 15.146 11.913 2.396 725 HA2 GLY 112 HA3 GLY 112 17.307 13.377 2.251 726 HA3 GLY 112 HA2 GLY 112 17.559 12.385 0.819 727 H ASN 113 H ASN 113 17.311 15.144 0.629 728 HA ASN 113 HA ASN 113 14.694 15.383 -0.707 729 HB2 ASN 113 HB2 ASN 113 14.767 16.754 1.359 730 HB3 ASN 113 HB3 ASN 113 16.176 17.599 0.728 731 HD21 ASN 113 HD21 ASN 113 15.926 19.067 -0.949 732 HD22 ASN 113 HD22 ASN 113 14.373 19.668 -1.428 Start of MODEL 13 1 H1 GLY 17 H1 GLY 17 -24.729 21.906 14.501 2 H2 GLY 17 H2 GLY 17 -25.161 22.614 13.020 3 H3 GLY 17 H3 GLY 17 -23.677 21.812 13.179 4 HA2 GLY 17 HA2 GLY 17 -26.329 20.508 13.418 5 HA3 GLY 17 HA3 GLY 17 -25.331 20.483 11.969 6 H SER 18 H SER 18 -25.837 19.162 15.122 7 HA SER 18 HA SER 18 -24.153 16.931 14.522 8 HB2 SER 18 HB2 SER 18 -22.504 18.680 15.303 9 HB3 SER 18 HB3 SER 18 -23.305 18.636 16.873 10 HG SER 18 HG SER 18 -21.353 17.128 16.150 11 H HIS 19 H HIS 19 -24.435 15.207 15.980 12 HA HIS 19 HA HIS 19 -25.885 15.349 18.396 13 HB2 HIS 19 HB2 HIS 19 -27.731 15.851 16.723 14 HB3 HIS 19 HB1 HIS 19 -27.487 14.233 16.077 15 HD1 HIS 19 HD1 HIS 19 -29.027 12.542 17.015 16 HD2 HIS 19 HD2 HIS 19 -28.383 15.697 19.652 17 HE1 HIS 19 HE1 HIS 19 -30.514 12.091 18.996 18 HE2 HIS 19 HE2 HIS 19 -30.256 14.118 20.479 19 H MET 20 H MET 20 -25.593 13.306 15.532 20 HA MET 20 HA MET 20 -23.992 11.386 17.036 21 HB2 MET 20 HB2 MET 20 -26.445 10.683 17.024 22 HB3 MET 20 HB3 MET 20 -26.305 10.522 15.281 23 HG2 MET 20 HG2 MET 20 -26.104 8.384 16.500 24 HG3 MET 20 HG3 MET 20 -24.696 8.765 15.508 25 HE1 MET 20 HE1 MET 20 -23.103 6.869 18.530 26 HE2 MET 20 HE2 MET 20 -23.277 6.939 16.775 27 HE3 MET 20 HE3 MET 20 -24.665 6.535 17.785 28 H SER 21 H SER 21 -23.737 9.534 14.889 29 HA SER 21 HA SER 21 -21.824 10.731 13.269 30 HB2 SER 21 HB2 SER 21 -22.256 8.658 11.793 31 HB3 SER 21 HB3 SER 21 -21.737 8.387 13.457 32 HG SER 21 HG SER 21 -23.619 7.135 12.628 33 H THR 22 H THR 22 -25.231 10.000 12.569 34 HA THR 22 HA THR 22 -26.723 10.936 11.143 35 HB THR 22 HB THR 22 -24.946 13.360 10.966 36 HG1 THR 22 HG1 THR 22 -25.013 12.795 13.164 37 HG21 THR 22 HG21 THR 22 -27.095 14.542 10.966 38 HG22 THR 22 HG22 THR 22 -27.945 13.007 11.138 39 HG23 THR 22 HG23 THR 22 -27.038 13.350 9.666 40 H LEU 23 H LEU 23 -25.678 9.220 9.650 41 HA LEU 23 HA LEU 23 -24.752 10.590 7.211 42 HB2 LEU 23 HB2 LEU 23 -24.379 7.741 8.131 43 HB3 LEU 23 HB3 LEU 23 -24.148 8.211 6.463 44 HG LEU 23 HG LEU 23 -21.997 8.140 7.391 45 HD11 LEU 23 HD11 LEU 23 -22.365 10.116 6.037 46 HD12 LEU 23 HD12 LEU 23 -21.211 10.447 7.328 47 HD13 LEU 23 HD13 LEU 23 -22.875 11.017 7.464 48 HD21 LEU 23 HD21 LEU 23 -21.367 9.294 9.464 49 HD22 LEU 23 HD22 LEU 23 -22.574 8.035 9.731 50 HD23 LEU 23 HD23 LEU 23 -23.057 9.732 9.717 51 H GLU 24 H GLU 24 -25.488 9.240 5.179 52 HA GLU 24 HA GLU 24 -28.264 9.317 4.923 53 HB2 GLU 24 HB2 GLU 24 -26.752 9.311 3.000 54 HB3 GLU 24 HB3 GLU 24 -26.232 7.678 3.386 55 HG2 GLU 24 HG2 GLU 24 -27.802 7.738 1.515 56 HG3 GLU 24 HG3 GLU 24 -28.427 6.815 2.881 57 H ARG 25 H ARG 25 -26.244 6.418 5.059 58 HA ARG 25 HA ARG 25 -27.843 5.177 7.079 59 HB2 ARG 25 HB2 ARG 25 -29.222 4.690 5.089 60 HB3 ARG 25 HB1 ARG 25 -27.826 3.977 4.294 61 HG2 ARG 25 HG2 ARG 25 -29.222 2.229 5.140 62 HG3 ARG 25 HG1 ARG 25 -27.730 2.273 6.079 63 HD2 ARG 25 HD2 ARG 25 -28.920 3.585 7.813 64 HD3 ARG 25 HD1 ARG 25 -30.408 3.394 6.888 65 HE ARG 25 HE ARG 25 -29.314 0.857 7.339 66 HH11 ARG 25 HH11 ARG 25 -30.899 3.452 9.082 67 HH12 ARG 25 HH12 ARG 25 -31.435 2.424 10.375 68 HH21 ARG 25 HH21 ARG 25 -30.016 -0.498 9.019 69 HH22 ARG 25 HH22 ARG 25 -30.917 0.173 10.355 70 H VAL 26 H VAL 26 -25.801 4.167 4.362 71 HA VAL 26 HA VAL 26 -23.607 3.683 6.252 72 HB VAL 26 HB VAL 26 -22.883 1.727 4.852 73 HG11 VAL 26 HG11 VAL 26 -24.450 0.131 5.845 74 HG12 VAL 26 HG12 VAL 26 -25.561 1.452 6.209 75 HG13 VAL 26 HG13 VAL 26 -23.984 1.385 6.994 76 HG21 VAL 26 HG21 VAL 26 -24.158 2.232 2.834 77 HG22 VAL 26 HG22 VAL 26 -25.665 1.945 3.704 78 HG23 VAL 26 HG23 VAL 26 -24.536 0.616 3.434 79 H VAL 27 H VAL 27 -21.629 4.416 5.515 80 HA VAL 27 HA VAL 27 -21.792 5.968 3.047 81 HB VAL 27 HB VAL 27 -21.244 6.978 5.403 82 HG11 VAL 27 HG11 VAL 27 -19.429 5.460 5.941 83 HG12 VAL 27 HG12 VAL 27 -18.866 7.131 5.887 84 HG13 VAL 27 HG13 VAL 27 -18.516 6.035 4.544 85 HG21 VAL 27 HG21 VAL 27 -21.253 8.177 3.228 86 HG22 VAL 27 HG22 VAL 27 -19.543 7.783 3.054 87 HG23 VAL 27 HG23 VAL 27 -20.081 8.797 4.388 88 H TYR 28 H TYR 28 -19.405 6.309 2.124 89 HA TYR 28 HA TYR 28 -18.479 4.025 0.921 90 HB2 TYR 28 HB2 TYR 28 -16.792 6.396 1.743 91 HB3 TYR 28 HB3 TYR 28 -16.431 5.256 0.458 92 HD1 TYR 28 HD2 TYR 28 -17.854 5.253 -1.611 93 HD2 TYR 28 HD1 TYR 28 -18.199 8.250 1.387 94 HE1 TYR 28 HE2 TYR 28 -19.002 6.722 -3.215 95 HE2 TYR 28 HE1 TYR 28 -19.349 9.722 -0.206 96 HH TYR 28 HH TYR 28 -19.464 10.007 -2.692 97 H ARG 29 H ARG 29 -17.009 2.435 1.410 98 HA ARG 29 HA ARG 29 -16.178 2.065 4.130 99 HB2 ARG 29 HB2 ARG 29 -15.190 0.631 1.648 100 HB3 ARG 29 HB1 ARG 29 -15.067 0.066 3.307 101 HG2 ARG 29 HG2 ARG 29 -17.508 -0.134 3.413 102 HG3 ARG 29 HG1 ARG 29 -17.616 0.414 1.738 103 HD2 ARG 29 HD2 ARG 29 -17.763 -1.965 1.729 104 HD3 ARG 29 HD1 ARG 29 -16.175 -1.533 1.103 105 HE ARG 29 HE ARG 29 -16.509 -2.285 3.929 106 HH11 ARG 29 HH11 ARG 29 -15.036 -2.800 0.792 107 HH12 ARG 29 HH12 ARG 29 -13.974 -4.051 1.355 108 HH21 ARG 29 HH21 ARG 29 -15.076 -3.891 4.688 109 HH22 ARG 29 HH22 ARG 29 -13.996 -4.679 3.570 110 HA PRO 30 HA PRO 30 -12.332 4.225 4.481 111 HB2 PRO 30 HB2 PRO 30 -11.054 1.517 4.581 112 HB3 PRO 30 HB3 PRO 30 -10.799 2.917 5.618 113 HG2 PRO 30 HG2 PRO 30 -12.308 0.863 6.410 114 HG3 PRO 30 HG3 PRO 30 -12.686 2.534 6.856 115 HD2 PRO 30 HD2 PRO 30 -14.056 0.745 4.978 116 HD3 PRO 30 HD3 PRO 30 -14.669 2.165 5.834 117 H ASP 31 H ASP 31 -11.253 5.159 2.853 118 HA ASP 31 HA ASP 31 -10.080 3.691 0.683 119 HB2 ASP 31 HB2 ASP 31 -12.692 3.983 0.309 120 HB3 ASP 31 HB3 ASP 31 -12.206 5.611 -0.152 121 H ILE 32 H ILE 32 -8.255 4.767 0.982 122 HA ILE 32 HA ILE 32 -7.891 7.431 1.686 123 HB ILE 32 HB ILE 32 -6.045 5.616 0.133 124 HG12 ILE 32 HG12 ILE 32 -6.730 4.857 2.402 125 HG13 ILE 32 HG13 ILE 32 -5.009 5.189 2.270 126 HG21 ILE 32 HG21 ILE 32 -4.279 7.181 1.040 127 HG22 ILE 32 HG22 ILE 32 -5.588 8.319 1.361 128 HG23 ILE 32 HG23 ILE 32 -5.258 7.792 -0.295 129 HD11 ILE 32 HD11 ILE 32 -6.029 6.002 4.355 130 HD12 ILE 32 HD12 ILE 32 -7.015 7.112 3.407 131 HD13 ILE 32 HD13 ILE 32 -5.255 7.266 3.409 132 H ASN 33 H ASN 33 -7.539 9.280 0.578 133 HA ASN 33 HA ASN 33 -8.721 9.778 -1.874 134 HB2 ASN 33 HB2 ASN 33 -7.390 11.901 -1.861 135 HB3 ASN 33 HB3 ASN 33 -8.273 11.574 -0.381 136 HD21 ASN 33 HD21 ASN 33 -6.960 12.995 0.751 137 HD22 ASN 33 HD22 ASN 33 -5.349 12.579 1.211 138 H GLN 34 H GLN 34 -5.445 8.747 -1.177 139 HA GLN 34 HA GLN 34 -4.937 8.596 -4.060 140 HB2 GLN 34 HB2 GLN 34 -2.611 8.757 -3.611 141 HB3 GLN 34 HB3 GLN 34 -3.405 9.981 -2.649 142 HG2 GLN 34 HG2 GLN 34 -3.175 8.608 -0.663 143 HG3 GLN 34 HG3 GLN 34 -2.427 7.333 -1.634 144 HE21 GLN 34 HE21 GLN 34 -1.447 8.890 0.597 145 HE22 GLN 34 HE22 GLN 34 0.020 9.636 0.075 146 H GLY 35 H GLY 35 -6.458 6.797 -2.378 147 HA2 GLY 35 HA3 GLY 35 -4.862 4.404 -2.100 148 HA3 GLY 35 HA2 GLY 35 -6.562 4.577 -1.698 149 H ASN 36 H ASN 36 -4.659 4.979 -4.684 150 HA ASN 36 HA ASN 36 -6.527 3.222 -6.078 151 HB2 ASN 36 HB2 ASN 36 -5.224 3.787 -8.110 152 HB3 ASN 36 HB3 ASN 36 -5.834 5.219 -7.297 153 HD21 ASN 36 HD21 ASN 36 -3.674 4.937 -9.165 154 HD22 ASN 36 HD22 ASN 36 -2.275 5.558 -8.362 155 H TYR 37 H TYR 37 -3.301 3.356 -4.825 156 HA TYR 37 HA TYR 37 -2.958 0.507 -5.389 157 HB2 TYR 37 HB2 TYR 37 -0.589 0.988 -4.521 158 HB3 TYR 37 HB3 TYR 37 -1.012 1.648 -6.093 159 HD1 TYR 37 HD2 TYR 37 -1.222 2.717 -2.504 160 HD2 TYR 37 HD1 TYR 37 -0.264 3.783 -6.507 161 HE1 TYR 37 HE2 TYR 37 -0.549 4.950 -1.738 162 HE2 TYR 37 HE1 TYR 37 0.414 6.023 -5.753 163 HH TYR 37 HH TYR 37 -0.128 7.545 -3.755 164 H LEU 38 H LEU 38 -1.278 -0.079 -3.205 165 HA LEU 38 HA LEU 38 -3.272 -0.322 -1.145 166 HB2 LEU 38 HB2 LEU 38 -1.686 -2.150 -1.682 167 HB3 LEU 38 HB3 LEU 38 -0.372 -1.160 -1.061 168 HG LEU 38 HG LEU 38 -1.888 -1.090 1.089 169 HD11 LEU 38 HD11 LEU 38 -3.790 -2.195 0.257 170 HD12 LEU 38 HD12 LEU 38 -3.002 -3.328 1.350 171 HD13 LEU 38 HD13 LEU 38 -2.833 -3.513 -0.396 172 HD21 LEU 38 HD21 LEU 38 0.372 -2.021 0.987 173 HD22 LEU 38 HD22 LEU 38 -0.283 -3.530 0.350 174 HD23 LEU 38 HD23 LEU 38 -0.700 -3.006 1.981 175 H THR 39 H THR 39 -3.076 0.411 0.994 176 HA THR 39 HA THR 39 -1.084 2.505 1.463 177 HB THR 39 HB THR 39 -2.791 3.764 2.769 178 HG1 THR 39 HG1 THR 39 -4.537 1.872 1.562 179 HG21 THR 39 HG21 THR 39 -3.217 3.380 -0.138 180 HG22 THR 39 HG22 THR 39 -2.216 4.591 0.639 181 HG23 THR 39 HG23 THR 39 -3.973 4.669 0.781 182 H ALA 40 H ALA 40 -1.389 3.129 4.012 183 HA ALA 40 HA ALA 40 -0.276 0.901 5.339 184 HB1 ALA 40 HB1 ALA 40 -1.311 3.467 6.527 185 HB2 ALA 40 HB2 ALA 40 0.317 3.195 5.905 186 HB3 ALA 40 HB3 ALA 40 -0.247 2.308 7.322 187 H ASN 41 H ASN 41 -3.464 2.446 5.618 188 HA ASN 41 HA ASN 41 -4.448 0.850 7.699 189 HB2 ASN 41 HB2 ASN 41 -6.711 1.406 6.463 190 HB3 ASN 41 HB3 ASN 41 -5.840 2.615 7.392 191 HD21 ASN 41 HD21 ASN 41 -6.692 1.526 4.192 192 HD22 ASN 41 HD22 ASN 41 -6.147 2.946 3.366 193 H ASP 42 H ASP 42 -4.296 0.269 4.235 194 HA ASP 42 HA ASP 42 -5.858 -2.129 4.380 195 HB2 ASP 42 HB2 ASP 42 -4.032 -1.026 2.258 196 HB3 ASP 42 HB3 ASP 42 -4.863 -2.569 2.094 197 H VAL 43 H VAL 43 -2.465 -1.358 4.756 198 HA VAL 43 HA VAL 43 -1.421 -3.966 4.694 199 HB VAL 43 HB VAL 43 -0.550 -1.566 6.309 200 HG11 VAL 43 HG11 VAL 43 0.903 -4.171 5.934 201 HG12 VAL 43 HG12 VAL 43 0.147 -3.635 7.439 202 HG13 VAL 43 HG13 VAL 43 1.522 -2.744 6.776 203 HG21 VAL 43 HG21 VAL 43 0.889 -2.841 4.051 204 HG22 VAL 43 HG22 VAL 43 1.047 -1.199 4.672 205 HG23 VAL 43 HG23 VAL 43 -0.387 -1.664 3.749 206 H SER 44 H SER 44 -3.078 -2.168 7.195 207 HA SER 44 HA SER 44 -2.756 -3.935 9.338 208 HB2 SER 44 HB2 SER 44 -3.585 -1.658 9.554 209 HB3 SER 44 HB3 SER 44 -5.068 -2.097 8.715 210 HG SER 44 HG SER 44 -4.507 -3.730 10.840 211 H LYS 45 H LYS 45 -4.620 -4.194 6.484 212 HA LYS 45 HA LYS 45 -6.619 -5.988 7.464 213 HB2 LYS 45 HB2 LYS 45 -5.719 -5.381 4.661 214 HB3 LYS 45 HB1 LYS 45 -7.127 -6.349 5.074 215 HG2 LYS 45 HG2 LYS 45 -8.182 -4.454 6.116 216 HG3 LYS 45 HG1 LYS 45 -6.734 -3.475 5.877 217 HD2 LYS 45 HD2 LYS 45 -8.402 -2.949 4.193 218 HD3 LYS 45 HD1 LYS 45 -6.995 -3.714 3.447 219 HE2 LYS 45 HE2 LYS 45 -8.260 -5.896 3.683 220 HE3 LYS 45 HE1 LYS 45 -9.683 -4.916 4.033 221 HZ1 LYS 45 HZ1 LYS 45 -9.412 -3.802 1.897 222 HZ2 LYS 45 HZ2 LYS 45 -9.582 -5.480 1.684 223 HZ3 LYS 45 HZ3 LYS 45 -8.057 -4.761 1.546 224 H ILE 46 H ILE 46 -3.353 -6.383 6.300 225 HA ILE 46 HA ILE 46 -3.782 -9.250 6.063 226 HB ILE 46 HB ILE 46 -1.530 -9.377 5.124 227 HG12 ILE 46 HG12 ILE 46 -1.588 -6.353 5.179 228 HG13 ILE 46 HG13 ILE 46 -0.550 -7.377 6.165 229 HG21 ILE 46 HG21 ILE 46 -2.107 -8.525 2.965 230 HG22 ILE 46 HG22 ILE 46 -3.318 -7.456 3.677 231 HG23 ILE 46 HG23 ILE 46 -3.530 -9.208 3.751 232 HD11 ILE 46 HD11 ILE 46 0.010 -8.277 3.668 233 HD12 ILE 46 HD12 ILE 46 0.944 -7.050 4.544 234 HD13 ILE 46 HD13 ILE 46 -0.291 -6.562 3.377 235 H ARG 47 H ARG 47 -1.700 -10.458 6.597 236 HA ARG 47 HA ARG 47 -0.242 -9.794 8.906 237 HB2 ARG 47 HB2 ARG 47 -1.329 -11.321 10.508 238 HB3 ARG 47 HB1 ARG 47 -2.412 -10.022 10.033 239 HG2 ARG 47 HG2 ARG 47 -2.546 -12.606 8.561 240 HG3 ARG 47 HG1 ARG 47 -3.251 -12.498 10.180 241 HD2 ARG 47 HD2 ARG 47 -4.526 -10.487 9.378 242 HD3 ARG 47 HD1 ARG 47 -3.946 -10.849 7.749 243 HE ARG 47 HE ARG 47 -5.130 -13.155 8.828 244 HH11 ARG 47 HH11 ARG 47 -6.071 -9.969 7.689 245 HH12 ARG 47 HH12 ARG 47 -7.688 -10.469 7.300 246 HH21 ARG 47 HH21 ARG 47 -7.250 -13.784 8.326 247 HH22 ARG 47 HH22 ARG 47 -8.358 -12.618 7.659 248 H VAL 48 H VAL 48 1.129 -11.506 9.541 249 HA VAL 48 HA VAL 48 1.954 -13.097 7.342 250 HB VAL 48 HB VAL 48 2.981 -13.674 10.050 251 HG11 VAL 48 HG11 VAL 48 4.280 -13.067 7.399 252 HG12 VAL 48 HG12 VAL 48 3.984 -14.679 8.065 253 HG13 VAL 48 HG13 VAL 48 5.128 -13.594 8.857 254 HG21 VAL 48 HG21 VAL 48 3.301 -11.022 8.683 255 HG22 VAL 48 HG22 VAL 48 4.366 -11.585 9.974 256 HG23 VAL 48 HG23 VAL 48 2.647 -11.323 10.293 257 H GLY 49 H GLY 49 1.898 -15.348 7.136 258 HA2 GLY 49 HA3 GLY 49 1.373 -17.500 8.251 259 HA3 GLY 49 HA2 GLY 49 -0.019 -16.680 8.942 260 H MET 50 H MET 50 -0.612 -15.250 6.415 261 HA MET 50 HA MET 50 -1.857 -17.511 5.073 262 HB2 MET 50 HB2 MET 50 -3.087 -15.729 3.752 263 HB3 MET 50 HB3 MET 50 -3.491 -15.896 5.447 264 HG2 MET 50 HG2 MET 50 -2.184 -13.935 5.971 265 HG3 MET 50 HG3 MET 50 -1.654 -13.817 4.302 266 HE1 MET 50 HE1 MET 50 -3.621 -10.865 3.868 267 HE2 MET 50 HE2 MET 50 -2.184 -11.513 4.671 268 HE3 MET 50 HE3 MET 50 -3.585 -11.027 5.627 269 H THR 51 H THR 51 -2.173 -16.853 2.544 270 HA THR 51 HA THR 51 0.557 -17.334 1.644 271 HB THR 51 HB THR 51 -0.366 -18.422 -0.270 272 HG1 THR 51 HG1 THR 51 -2.587 -18.393 -0.697 273 HG21 THR 51 HG21 THR 51 -1.735 -19.042 2.297 274 HG22 THR 51 HG22 THR 51 -0.387 -19.887 1.535 275 HG23 THR 51 HG23 THR 51 -2.011 -20.008 0.853 276 H GLN 52 H GLN 52 0.629 -16.819 -0.893 277 HA GLN 52 HA GLN 52 0.719 -14.049 -1.254 278 HB2 GLN 52 HB2 GLN 52 0.655 -16.364 -3.184 279 HB3 GLN 52 HB3 GLN 52 0.784 -14.701 -3.714 280 HG2 GLN 52 HG2 GLN 52 2.873 -14.444 -2.527 281 HG3 GLN 52 HG3 GLN 52 2.733 -16.084 -1.895 282 HE21 GLN 52 HE21 GLN 52 4.731 -16.621 -2.862 283 HE22 GLN 52 HE22 GLN 52 4.866 -16.898 -4.561 284 H GLN 53 H GLN 53 -1.679 -16.491 -2.225 285 HA GLN 53 HA GLN 53 -3.258 -14.699 -3.750 286 HB2 GLN 53 HB2 GLN 53 -4.906 -16.390 -3.826 287 HB3 GLN 53 HB3 GLN 53 -3.372 -17.229 -3.858 288 HG2 GLN 53 HG2 GLN 53 -3.628 -17.902 -1.631 289 HG3 GLN 53 HG3 GLN 53 -4.982 -16.814 -1.366 290 HE21 GLN 53 HE21 GLN 53 -6.507 -18.222 -0.826 291 HE22 GLN 53 HE22 GLN 53 -7.082 -19.495 -1.856 292 H GLN 54 H GLN 54 -3.333 -15.742 -0.417 293 HA GLN 54 HA GLN 54 -5.748 -14.594 0.355 294 HB2 GLN 54 HB2 GLN 54 -3.268 -14.811 2.055 295 HB3 GLN 54 HB3 GLN 54 -4.926 -14.714 2.622 296 HG2 GLN 54 HG2 GLN 54 -4.441 -16.946 0.823 297 HG3 GLN 54 HG3 GLN 54 -3.470 -16.996 2.292 298 HE21 GLN 54 HE21 GLN 54 -4.448 -18.605 3.336 299 HE22 GLN 54 HE22 GLN 54 -6.111 -18.602 3.832 300 H VAL 55 H VAL 55 -2.431 -13.329 0.516 301 HA VAL 55 HA VAL 55 -3.095 -10.847 1.643 302 HB VAL 55 HB VAL 55 -0.680 -11.727 0.075 303 HG11 VAL 55 HG11 VAL 55 -1.044 -9.182 1.637 304 HG12 VAL 55 HG12 VAL 55 -1.068 -9.284 -0.124 305 HG13 VAL 55 HG13 VAL 55 0.407 -9.686 0.765 306 HG21 VAL 55 HG21 VAL 55 -0.899 -11.062 2.979 307 HG22 VAL 55 HG22 VAL 55 0.367 -11.975 2.149 308 HG23 VAL 55 HG23 VAL 55 -1.238 -12.683 2.363 309 H ALA 56 H ALA 56 -2.494 -11.784 -1.755 310 HA ALA 56 HA ALA 56 -2.706 -9.143 -2.726 311 HB1 ALA 56 HB1 ALA 56 -3.316 -11.625 -4.317 312 HB2 ALA 56 HB2 ALA 56 -1.685 -11.047 -3.977 313 HB3 ALA 56 HB3 ALA 56 -2.793 -10.054 -4.918 314 H TYR 57 H TYR 57 -5.088 -11.527 -1.893 315 HA TYR 57 HA TYR 57 -7.209 -10.068 -3.181 316 HB2 TYR 57 HB2 TYR 57 -7.005 -12.551 -1.571 317 HB3 TYR 57 HB3 TYR 57 -8.574 -11.749 -1.686 318 HD1 TYR 57 HD2 TYR 57 -5.877 -11.895 -4.240 319 HD2 TYR 57 HD1 TYR 57 -9.793 -13.183 -3.141 320 HE1 TYR 57 HE2 TYR 57 -6.201 -12.815 -6.474 321 HE2 TYR 57 HE1 TYR 57 -10.115 -14.107 -5.398 322 HH TYR 57 HH TYR 57 -7.577 -14.591 -7.556 323 H ALA 58 H ALA 58 -5.860 -10.327 0.040 324 HA ALA 58 HA ALA 58 -7.839 -8.766 1.372 325 HB1 ALA 58 HB1 ALA 58 -4.966 -9.172 2.182 326 HB2 ALA 58 HB2 ALA 58 -6.258 -10.353 2.462 327 HB3 ALA 58 HB3 ALA 58 -6.338 -8.766 3.224 328 H LEU 59 H LEU 59 -4.793 -8.148 -0.168 329 HA LEU 59 HA LEU 59 -4.654 -5.394 0.740 330 HB2 LEU 59 HB2 LEU 59 -2.861 -7.473 0.114 331 HB3 LEU 59 HB3 LEU 59 -2.584 -6.230 -1.081 332 HG LEU 59 HG LEU 59 -1.891 -4.681 0.522 333 HD11 LEU 59 HD11 LEU 59 -3.363 -6.458 2.414 334 HD12 LEU 59 HD12 LEU 59 -3.518 -4.701 2.175 335 HD13 LEU 59 HD13 LEU 59 -2.103 -5.373 3.011 336 HD21 LEU 59 HD21 LEU 59 -1.015 -7.380 1.471 337 HD22 LEU 59 HD22 LEU 59 -0.172 -5.857 1.768 338 HD23 LEU 59 HD23 LEU 59 -0.304 -6.491 0.126 339 H GLY 60 H GLY 60 -5.027 -7.239 -2.208 340 HA2 GLY 60 HA3 GLY 60 -6.014 -6.263 -4.197 341 HA3 GLY 60 HA2 GLY 60 -5.253 -4.736 -3.745 342 H THR 61 H THR 61 -5.010 -7.099 -5.913 343 HA THR 61 HA THR 61 -2.417 -8.072 -5.778 344 HB THR 61 HB THR 61 -2.651 -8.418 -8.260 345 HG1 THR 61 HG1 THR 61 -4.189 -6.476 -8.346 346 HG21 THR 61 HG21 THR 61 -3.484 -10.006 -6.485 347 HG22 THR 61 HG22 THR 61 -4.323 -10.118 -8.035 348 HG23 THR 61 HG23 THR 61 -5.078 -9.276 -6.681 349 HA PRO 62 HA PRO 62 0.169 -4.639 -6.183 350 HB2 PRO 62 HB2 PRO 62 2.047 -6.388 -7.649 351 HB3 PRO 62 HB3 PRO 62 2.262 -5.533 -6.119 352 HG2 PRO 62 HG2 PRO 62 1.935 -8.183 -6.195 353 HG3 PRO 62 HG3 PRO 62 1.243 -7.200 -4.889 354 HD2 PRO 62 HD2 PRO 62 -0.091 -8.386 -7.288 355 HD3 PRO 62 HD3 PRO 62 -0.685 -8.256 -5.621 356 H LEU 63 H LEU 63 1.538 -3.447 -7.650 357 HA LEU 63 HA LEU 63 -0.017 -2.400 -9.686 358 HB2 LEU 63 HB2 LEU 63 2.955 -2.052 -9.488 359 HB3 LEU 63 HB3 LEU 63 1.762 -0.893 -10.042 360 HG LEU 63 HG LEU 63 1.489 -1.792 -7.239 361 HD11 LEU 63 HD11 LEU 63 3.925 -1.593 -7.544 362 HD12 LEU 63 HD12 LEU 63 3.266 -0.388 -6.431 363 HD13 LEU 63 HD13 LEU 63 3.698 0.077 -8.078 364 HD21 LEU 63 HD21 LEU 63 0.014 -0.107 -8.262 365 HD22 LEU 63 HD22 LEU 63 1.414 0.925 -8.549 366 HD23 LEU 63 HD23 LEU 63 0.926 0.540 -6.898 367 H MET 64 H MET 64 2.561 -4.753 -9.781 368 HA MET 64 HA MET 64 2.942 -4.704 -12.603 369 HB2 MET 64 HB2 MET 64 3.996 -7.004 -12.152 370 HB3 MET 64 HB3 MET 64 4.736 -5.596 -11.406 371 HG2 MET 64 HG2 MET 64 3.547 -6.105 -9.319 372 HG3 MET 64 HG3 MET 64 2.888 -7.561 -10.065 373 HE1 MET 64 HE1 MET 64 5.273 -9.106 -7.603 374 HE2 MET 64 HE2 MET 64 3.685 -8.357 -7.844 375 HE3 MET 64 HE3 MET 64 5.035 -7.395 -7.242 376 H SER 65 H SER 65 0.276 -5.565 -10.936 377 HA SER 65 HA SER 65 -1.703 -6.384 -11.649 378 HB2 SER 65 HB2 SER 65 -1.005 -5.418 -13.855 379 HB3 SER 65 HB3 SER 65 -0.378 -7.007 -14.292 380 HG SER 65 HG SER 65 -2.488 -7.838 -14.065 381 H ASP 66 H ASP 66 0.928 -8.179 -11.121 382 HA ASP 66 HA ASP 66 -0.643 -10.527 -10.675 383 HB2 ASP 66 HB2 ASP 66 -0.070 -11.029 -12.938 384 HB3 ASP 66 HB3 ASP 66 1.626 -10.635 -12.665 385 HA PRO 67 HA PRO 67 2.285 -10.186 -7.336 386 HB2 PRO 67 HB2 PRO 67 0.796 -11.651 -5.631 387 HB3 PRO 67 HB3 PRO 67 0.396 -9.974 -6.027 388 HG2 PRO 67 HG2 PRO 67 -0.765 -12.511 -7.138 389 HG3 PRO 67 HG3 PRO 67 -1.612 -11.049 -6.585 390 HD2 PRO 67 HD2 PRO 67 -1.101 -11.534 -9.214 391 HD3 PRO 67 HD3 PRO 67 -1.145 -9.898 -8.529 392 H PHE 68 H PHE 68 0.887 -13.137 -8.673 393 HA PHE 68 HA PHE 68 2.286 -14.883 -6.917 394 HB2 PHE 68 HB2 PHE 68 0.800 -15.557 -9.452 395 HB3 PHE 68 HB3 PHE 68 1.183 -16.642 -8.125 396 HD1 PHE 68 HD2 PHE 68 0.470 -15.088 -5.781 397 HD2 PHE 68 HD1 PHE 68 -1.511 -15.411 -9.529 398 HE1 PHE 68 HE2 PHE 68 -1.663 -14.530 -4.692 399 HE2 PHE 68 HE1 PHE 68 -3.652 -14.844 -8.451 400 HZ PHE 68 HZ PHE 68 -3.727 -14.407 -6.028 401 H GLY 69 H GLY 69 3.517 -13.177 -9.414 402 HA2 GLY 69 HA3 GLY 69 5.096 -15.333 -10.585 403 HA3 GLY 69 HA2 GLY 69 5.126 -13.641 -11.060 404 H THR 70 H THR 70 5.336 -13.043 -8.072 405 HA THR 70 HA THR 70 8.216 -13.592 -7.804 406 HB THR 70 HB THR 70 7.705 -11.230 -8.530 407 HG1 THR 70 HG1 THR 70 9.470 -10.723 -7.466 408 HG21 THR 70 HG21 THR 70 5.625 -10.963 -7.283 409 HG22 THR 70 HG22 THR 70 6.793 -9.700 -6.873 410 HG23 THR 70 HG23 THR 70 6.529 -11.050 -5.768 411 H ASN 71 H ASN 71 8.909 -12.988 -5.461 412 HA ASN 71 HA ASN 71 6.824 -13.823 -3.557 413 HB2 ASN 71 HB2 ASN 71 8.416 -15.090 -2.294 414 HB3 ASN 71 HB3 ASN 71 8.579 -15.596 -3.970 415 HD21 ASN 71 HD21 ASN 71 10.439 -15.710 -1.696 416 HD22 ASN 71 HD22 ASN 71 11.875 -14.908 -2.236 417 H THR 72 H THR 72 8.392 -11.281 -4.600 418 HA THR 72 HA THR 72 8.624 -10.071 -1.935 419 HB THR 72 HB THR 72 10.353 -9.306 -4.290 420 HG1 THR 72 HG1 THR 72 10.541 -11.561 -3.123 421 HG21 THR 72 HG21 THR 72 9.987 -7.648 -2.491 422 HG22 THR 72 HG22 THR 72 11.668 -8.162 -2.629 423 HG23 THR 72 HG23 THR 72 10.652 -8.801 -1.336 424 H TRP 73 H TRP 73 6.924 -8.759 -1.780 425 HA TRP 73 HA TRP 73 5.903 -7.454 -4.212 426 HB2 TRP 73 HB2 TRP 73 4.560 -8.112 -1.583 427 HB3 TRP 73 HB3 TRP 73 3.784 -7.217 -2.881 428 HD1 TRP 73 HD TRP 73 5.688 -9.655 -4.684 429 HE1 TRP 73 HE1 TRP 73 4.320 -11.766 -5.227 430 HE3 TRP 73 HE3 TRP 73 1.806 -8.943 -1.450 431 HZ2 TRP 73 HZ2 TRP 73 1.911 -12.956 -4.389 432 HZ3 TRP 73 HZ3 TRP 73 0.005 -10.609 -1.390 433 HH2 TRP 73 HH TRP 73 0.060 -12.570 -2.830 434 H PHE 74 H PHE 74 5.439 -5.238 -4.234 435 HA PHE 74 HA PHE 74 6.558 -3.713 -1.972 436 HB2 PHE 74 HB2 PHE 74 6.619 -2.717 -4.812 437 HB3 PHE 74 HB3 PHE 74 7.565 -2.160 -3.433 438 HD1 PHE 74 HD2 PHE 74 9.213 -3.940 -2.421 439 HD2 PHE 74 HD1 PHE 74 7.578 -4.123 -6.346 440 HE1 PHE 74 HE2 PHE 74 11.045 -5.436 -3.115 441 HE2 PHE 74 HE1 PHE 74 9.402 -5.614 -7.044 442 HZ PHE 74 HZ PHE 74 11.139 -6.270 -5.429 443 H TYR 75 H TYR 75 5.067 -2.518 -0.997 444 HA TYR 75 HA TYR 75 2.882 -1.373 -2.618 445 HB2 TYR 75 HB2 TYR 75 2.687 -2.481 0.183 446 HB3 TYR 75 HB3 TYR 75 1.393 -1.668 -0.666 447 HD1 TYR 75 HD1 TYR 75 0.780 -2.729 -3.013 448 HD2 TYR 75 HD2 TYR 75 2.758 -4.750 0.151 449 HE1 TYR 75 HE1 TYR 75 0.032 -4.881 -3.942 450 HE2 TYR 75 HE2 TYR 75 2.022 -6.921 -0.764 451 HH TYR 75 HH TYR 75 0.201 -7.779 -2.206 452 H VAL 76 H VAL 76 1.719 0.410 -1.145 453 HA VAL 76 HA VAL 76 3.935 2.160 -0.286 454 HB VAL 76 HB VAL 76 1.374 3.030 -1.652 455 HG11 VAL 76 HG11 VAL 76 3.871 4.581 -0.935 456 HG12 VAL 76 HG12 VAL 76 2.255 4.786 -0.250 457 HG13 VAL 76 HG13 VAL 76 2.553 5.190 -1.940 458 HG21 VAL 76 HG21 VAL 76 2.738 3.459 -3.631 459 HG22 VAL 76 HG22 VAL 76 2.779 1.752 -3.188 460 HG23 VAL 76 HG23 VAL 76 4.149 2.798 -2.809 461 H PHE 77 H PHE 77 3.485 3.626 1.375 462 HA PHE 77 HA PHE 77 1.501 2.711 3.277 463 HB2 PHE 77 HB2 PHE 77 4.079 3.765 3.486 464 HB3 PHE 77 HB3 PHE 77 3.030 5.031 4.110 465 HD1 PHE 77 HD2 PHE 77 2.915 1.335 4.279 466 HD2 PHE 77 HD1 PHE 77 3.062 5.002 6.415 467 HE1 PHE 77 HE2 PHE 77 2.724 0.098 6.389 468 HE2 PHE 77 HE1 PHE 77 2.872 3.777 8.543 469 HZ PHE 77 HZ PHE 77 2.703 1.317 8.532 470 H ARG 78 H ARG 78 0.226 4.282 4.496 471 HA ARG 78 HA ARG 78 -1.354 5.880 2.709 472 HB2 ARG 78 HB2 ARG 78 -2.469 4.633 4.424 473 HB3 ARG 78 HB1 ARG 78 -1.475 5.342 5.677 474 HG2 ARG 78 HG2 ARG 78 -2.545 7.567 4.952 475 HG3 ARG 78 HG1 ARG 78 -3.741 6.522 4.166 476 HD2 ARG 78 HD2 ARG 78 -4.260 5.454 6.247 477 HD3 ARG 78 HD1 ARG 78 -2.952 6.303 7.063 478 HE ARG 78 HE ARG 78 -4.282 8.385 6.547 479 HH11 ARG 78 HH11 ARG 78 -5.819 5.258 6.815 480 HH12 ARG 78 HH12 ARG 78 -7.290 5.874 7.507 481 HH21 ARG 78 HH21 ARG 78 -6.208 9.224 7.469 482 HH22 ARG 78 HH22 ARG 78 -7.506 8.143 7.876 483 H GLN 79 H GLN 79 -1.145 7.994 2.298 484 HA GLN 79 HA GLN 79 -0.262 10.088 2.255 485 HB2 GLN 79 HB2 GLN 79 -1.779 10.410 4.070 486 HB3 GLN 79 HB3 GLN 79 -0.646 9.693 5.195 487 HG2 GLN 79 HG2 GLN 79 0.904 11.609 4.704 488 HG3 GLN 79 HG3 GLN 79 -0.422 12.348 3.804 489 HE21 GLN 79 HE21 GLN 79 0.767 11.438 6.938 490 HE22 GLN 79 HE22 GLN 79 -0.375 12.361 7.864 491 H GLN 80 H GLN 80 1.774 9.615 1.401 492 HA GLN 80 HA GLN 80 3.930 9.337 3.356 493 HB2 GLN 80 HB2 GLN 80 5.091 8.127 1.432 494 HB3 GLN 80 HB3 GLN 80 3.829 7.287 2.313 495 HG2 GLN 80 HG2 GLN 80 3.318 6.773 0.142 496 HG3 GLN 80 HG3 GLN 80 2.280 8.155 0.464 497 HE21 GLN 80 HE21 GLN 80 2.112 8.660 -1.721 498 HE22 GLN 80 HE22 GLN 80 3.422 9.372 -2.601 499 HA PRO 81 HA PRO 81 5.842 12.905 1.506 500 HB2 PRO 81 HB2 PRO 81 8.372 11.844 2.530 501 HB3 PRO 81 HB3 PRO 81 7.514 13.313 2.993 502 HG2 PRO 81 HG2 PRO 81 7.697 11.186 4.636 503 HG3 PRO 81 HG3 PRO 81 6.267 12.233 4.605 504 HD2 PRO 81 HD2 PRO 81 6.675 9.549 3.337 505 HD3 PRO 81 HD3 PRO 81 5.262 10.182 4.209 506 H GLY 82 H GLY 82 6.133 12.914 -0.627 507 HA2 GLY 82 HA3 GLY 82 8.210 11.154 -1.757 508 HA3 GLY 82 HA2 GLY 82 6.647 11.311 -2.544 509 H HIS 83 H HIS 83 7.215 12.268 -4.412 510 HA HIS 83 HA HIS 83 7.719 13.920 -5.870 511 HB2 HIS 83 HB2 HIS 83 6.466 15.404 -4.347 512 HB3 HIS 83 HB1 HIS 83 7.933 15.703 -3.429 513 HD1 HIS 83 HD1 HIS 83 9.210 17.726 -4.091 514 HD2 HIS 83 HD2 HIS 83 6.702 16.386 -7.131 515 HE1 HIS 83 HE1 HIS 83 9.365 19.456 -5.914 516 HE2 HIS 83 HE2 HIS 83 7.703 18.717 -7.661 517 H GLU 84 H GLU 84 9.775 15.302 -3.339 518 HA GLU 84 HA GLU 84 12.104 14.076 -4.615 519 HB2 GLU 84 HB2 GLU 84 11.748 16.979 -3.909 520 HB3 GLU 84 HB3 GLU 84 13.325 16.249 -4.174 521 HG2 GLU 84 HG2 GLU 84 12.612 15.588 -6.427 522 HG3 GLU 84 HG3 GLU 84 11.076 16.399 -6.151 523 H GLY 85 H GLY 85 13.768 13.531 -3.194 524 HA2 GLY 85 HA3 GLY 85 14.635 12.861 -1.166 525 HA3 GLY 85 HA2 GLY 85 13.728 14.175 -0.422 526 H VAL 86 H VAL 86 13.017 11.122 -2.087 527 HA VAL 86 HA VAL 86 10.534 10.771 -0.729 528 HB VAL 86 HB VAL 86 12.067 8.669 -2.213 529 HG11 VAL 86 HG11 VAL 86 10.040 8.153 -0.748 530 HG12 VAL 86 HG12 VAL 86 10.065 7.511 -2.392 531 HG13 VAL 86 HG13 VAL 86 9.099 8.940 -2.015 532 HG21 VAL 86 HG21 VAL 86 10.157 10.731 -3.292 533 HG22 VAL 86 HG22 VAL 86 10.780 9.356 -4.207 534 HG23 VAL 86 HG23 VAL 86 11.879 10.620 -3.648 535 H THR 87 H THR 87 10.031 9.528 0.946 536 HA THR 87 HA THR 87 12.088 7.898 2.233 537 HB THR 87 HB THR 87 12.171 10.195 3.231 538 HG1 THR 87 HG1 THR 87 12.326 9.428 5.287 539 HG21 THR 87 HG21 THR 87 9.354 9.524 4.049 540 HG22 THR 87 HG22 THR 87 9.841 10.774 2.910 541 HG23 THR 87 HG23 THR 87 10.273 10.921 4.618 542 H GLN 88 H GLN 88 9.447 7.701 0.782 543 HA GLN 88 HA GLN 88 7.321 6.955 2.326 544 HB2 GLN 88 HB2 GLN 88 6.626 6.924 0.196 545 HB3 GLN 88 HB3 GLN 88 8.267 6.693 -0.396 546 HG2 GLN 88 HG2 GLN 88 7.050 4.916 -1.174 547 HG3 GLN 88 HG3 GLN 88 7.957 4.286 0.193 548 HE21 GLN 88 HE21 GLN 88 5.270 6.352 0.687 549 HE22 GLN 88 HE22 GLN 88 4.187 5.174 1.310 550 H GLN 89 H GLN 89 7.116 5.397 3.817 551 HA GLN 89 HA GLN 89 8.983 3.216 3.888 552 HB2 GLN 89 HB2 GLN 89 6.751 4.104 5.682 553 HB3 GLN 89 HB3 GLN 89 7.478 2.511 5.875 554 HG2 GLN 89 HG2 GLN 89 9.660 3.522 6.181 555 HG3 GLN 89 HG3 GLN 89 8.970 5.123 5.938 556 HE21 GLN 89 HE21 GLN 89 7.762 6.054 7.573 557 HE22 GLN 89 HE22 GLN 89 7.751 5.434 9.184 558 H THR 90 H THR 90 8.775 1.718 2.509 559 HA THR 90 HA THR 90 6.256 1.104 1.245 560 HB THR 90 HB THR 90 7.815 -0.435 -0.097 561 HG1 THR 90 HG1 THR 90 9.481 0.398 1.829 562 HG21 THR 90 HG21 THR 90 8.916 1.736 -1.096 563 HG22 THR 90 HG22 THR 90 7.768 2.540 -0.030 564 HG23 THR 90 HG23 THR 90 7.197 1.418 -1.271 565 H LEU 91 H LEU 91 5.241 -0.850 1.284 566 HA LEU 91 HA LEU 91 6.063 -2.706 3.380 567 HB2 LEU 91 HB2 LEU 91 3.646 -2.002 3.088 568 HB3 LEU 91 HB3 LEU 91 3.644 -2.925 1.597 569 HG LEU 91 HG LEU 91 4.449 -4.888 3.069 570 HD11 LEU 91 HD11 LEU 91 3.405 -4.682 5.372 571 HD12 LEU 91 HD12 LEU 91 3.427 -2.932 5.097 572 HD13 LEU 91 HD13 LEU 91 4.939 -3.845 5.099 573 HD21 LEU 91 HD21 LEU 91 2.170 -5.520 3.651 574 HD22 LEU 91 HD22 LEU 91 2.284 -4.889 1.998 575 HD23 LEU 91 HD23 LEU 91 1.622 -3.876 3.284 576 H THR 92 H THR 92 7.564 -4.123 2.798 577 HA THR 92 HA THR 92 7.519 -5.177 0.052 578 HB THR 92 HB THR 92 9.796 -5.296 2.021 579 HG1 THR 92 HG1 THR 92 8.883 -3.162 0.917 580 HG21 THR 92 HG21 THR 92 10.636 -5.343 -0.628 581 HG22 THR 92 HG22 THR 92 9.291 -6.470 -0.538 582 HG23 THR 92 HG23 THR 92 10.688 -6.669 0.526 583 H LEU 93 H LEU 93 6.216 -6.920 0.125 584 HA LEU 93 HA LEU 93 6.155 -8.524 2.524 585 HB2 LEU 93 HB2 LEU 93 4.179 -7.851 0.858 586 HB3 LEU 93 HB3 LEU 93 4.649 -9.377 0.118 587 HG LEU 93 HG LEU 93 4.358 -10.447 2.334 588 HD11 LEU 93 HD11 LEU 93 2.818 -8.883 3.795 589 HD12 LEU 93 HD12 LEU 93 3.778 -7.629 3.025 590 HD13 LEU 93 HD13 LEU 93 4.567 -8.892 3.971 591 HD21 LEU 93 HD21 LEU 93 1.813 -9.086 1.788 592 HD22 LEU 93 HD22 LEU 93 2.162 -10.798 1.997 593 HD23 LEU 93 HD23 LEU 93 2.539 -9.994 0.467 594 H THR 94 H THR 94 7.153 -10.415 2.836 595 HA THR 94 HA THR 94 8.630 -11.539 0.582 596 HB THR 94 HB THR 94 9.311 -11.223 3.489 597 HG1 THR 94 HG1 THR 94 9.939 -9.578 2.006 598 HG21 THR 94 HG21 THR 94 9.744 -13.533 2.912 599 HG22 THR 94 HG22 THR 94 11.253 -12.648 3.150 600 HG23 THR 94 HG23 THR 94 10.695 -13.027 1.517 601 H PHE 95 H PHE 95 8.132 -13.505 -0.003 602 HA PHE 95 HA PHE 95 6.572 -15.215 1.825 603 HB2 PHE 95 HB2 PHE 95 6.517 -14.986 -1.182 604 HB3 PHE 95 HB3 PHE 95 5.758 -16.307 -0.309 605 HD1 PHE 95 HD2 PHE 95 3.839 -15.921 1.079 606 HD2 PHE 95 HD1 PHE 95 5.561 -12.783 -1.189 607 HE1 PHE 95 HE2 PHE 95 1.800 -14.602 1.398 608 HE2 PHE 95 HE1 PHE 95 3.522 -11.446 -0.884 609 HZ PHE 95 HZ PHE 95 1.640 -12.365 0.418 610 H ASN 96 H ASN 96 7.178 -17.286 2.146 611 HA ASN 96 HA ASN 96 9.833 -18.056 1.399 612 HB2 ASN 96 HB2 ASN 96 9.358 -20.147 2.635 613 HB3 ASN 96 HB3 ASN 96 8.999 -18.707 3.574 614 HD21 ASN 96 HD21 ASN 96 7.610 -19.725 4.935 615 HD22 ASN 96 HD22 ASN 96 6.047 -20.292 4.456 616 H SER 97 H SER 97 9.806 -20.683 0.837 617 HA SER 97 HA SER 97 9.576 -20.742 -1.903 618 HB2 SER 97 HB2 SER 97 9.380 -23.187 -0.151 619 HB3 SER 97 HB3 SER 97 10.113 -23.051 -1.750 620 HG SER 97 HG SER 97 11.877 -22.240 -0.893 621 H SER 98 H SER 98 7.118 -21.635 0.480 622 HA SER 98 HA SER 98 5.501 -22.960 -1.529 623 HB2 SER 98 HB2 SER 98 5.694 -23.861 0.792 624 HB3 SER 98 HB3 SER 98 4.875 -22.419 1.387 625 HG SER 98 HG SER 98 3.676 -24.546 0.779 626 H GLY 99 H GLY 99 6.051 -19.823 -0.819 627 HA2 GLY 99 HA3 GLY 99 4.903 -17.925 -1.494 628 HA3 GLY 99 HA2 GLY 99 3.572 -18.955 -2.004 629 H VAL 100 H VAL 100 4.925 -19.110 1.185 630 HA VAL 100 HA VAL 100 2.404 -18.057 2.281 631 HB VAL 100 HB VAL 100 4.475 -19.613 3.813 632 HG11 VAL 100 HG11 VAL 100 2.643 -18.269 4.937 633 HG12 VAL 100 HG12 VAL 100 2.764 -19.969 5.392 634 HG13 VAL 100 HG13 VAL 100 1.510 -19.440 4.267 635 HG21 VAL 100 HG21 VAL 100 2.184 -20.683 2.180 636 HG22 VAL 100 HG22 VAL 100 3.041 -21.616 3.407 637 HG23 VAL 100 HG23 VAL 100 3.901 -21.039 1.975 638 H LEU 101 H LEU 101 2.436 -16.349 3.715 639 HA LEU 101 HA LEU 101 4.518 -14.508 3.586 640 HB2 LEU 101 HB2 LEU 101 2.000 -14.796 5.033 641 HB3 LEU 101 HB3 LEU 101 3.201 -13.835 5.874 642 HG LEU 101 HG LEU 101 2.139 -13.355 3.112 643 HD11 LEU 101 HD11 LEU 101 1.911 -11.765 5.648 644 HD12 LEU 101 HD12 LEU 101 0.619 -12.723 4.927 645 HD13 LEU 101 HD13 LEU 101 1.247 -11.306 4.082 646 HD21 LEU 101 HD21 LEU 101 4.164 -11.767 4.647 647 HD22 LEU 101 HD22 LEU 101 3.545 -11.408 3.038 648 HD23 LEU 101 HD23 LEU 101 4.538 -12.846 3.307 649 H THR 102 H THR 102 6.368 -14.387 4.531 650 HA THR 102 HA THR 102 6.754 -15.761 7.106 651 HB THR 102 HB THR 102 9.062 -15.992 6.634 652 HG1 THR 102 HG1 THR 102 9.746 -14.094 5.794 653 HG21 THR 102 HG21 THR 102 7.433 -17.362 5.227 654 HG22 THR 102 HG22 THR 102 9.103 -17.272 4.662 655 HG23 THR 102 HG23 THR 102 7.857 -16.278 3.902 656 H ASN 103 H ASN 103 7.395 -12.802 5.285 657 HA ASN 103 HA ASN 103 7.542 -11.363 7.853 658 HB2 ASN 103 HB2 ASN 103 9.451 -10.932 5.557 659 HB3 ASN 103 HB3 ASN 103 9.317 -9.885 6.948 660 HD21 ASN 103 HD21 ASN 103 11.331 -10.108 7.685 661 HD22 ASN 103 HD22 ASN 103 11.983 -11.580 8.312 662 H ILE 104 H ILE 104 6.900 -9.270 7.828 663 HA ILE 104 HA ILE 104 5.775 -8.200 5.306 664 HB ILE 104 HB ILE 104 5.114 -7.049 7.998 665 HG12 ILE 104 HG12 ILE 104 4.618 -9.475 8.185 666 HG13 ILE 104 HG13 ILE 104 3.186 -8.464 8.298 667 HG21 ILE 104 HG21 ILE 104 3.601 -7.153 5.382 668 HG22 ILE 104 HG22 ILE 104 4.463 -5.779 6.064 669 HG23 ILE 104 HG23 ILE 104 3.025 -6.402 6.869 670 HD11 ILE 104 HD11 ILE 104 2.709 -9.007 5.921 671 HD12 ILE 104 HD12 ILE 104 2.666 -10.393 7.015 672 HD13 ILE 104 HD13 ILE 104 4.063 -10.140 5.963 673 H ASP 105 H ASP 105 7.665 -7.184 4.568 674 HA ASP 105 HA ASP 105 9.395 -5.901 6.519 675 HB2 ASP 105 HB2 ASP 105 10.163 -7.362 4.560 676 HB3 ASP 105 HB3 ASP 105 9.839 -5.972 3.543 677 H ASN 106 H ASN 106 8.423 -4.051 7.159 678 HA ASN 106 HA ASN 106 7.731 -2.114 5.066 679 HB2 ASN 106 HB2 ASN 106 5.862 -2.588 6.475 680 HB3 ASN 106 HB3 ASN 106 6.809 -2.339 7.932 681 HD21 ASN 106 HD21 ASN 106 5.183 -0.867 8.584 682 HD22 ASN 106 HD22 ASN 106 5.163 0.749 7.959 683 H LYS 107 H LYS 107 9.401 -0.966 4.623 684 HA LYS 107 HA LYS 107 10.767 0.527 6.711 685 HB2 LYS 107 HB2 LYS 107 12.927 -0.209 6.165 686 HB3 LYS 107 HB1 LYS 107 11.984 -1.683 6.142 687 HG2 LYS 107 HG2 LYS 107 12.566 -0.089 3.698 688 HG3 LYS 107 HG1 LYS 107 13.606 -1.397 4.251 689 HD2 LYS 107 HD2 LYS 107 11.730 -2.955 4.034 690 HD3 LYS 107 HD1 LYS 107 10.689 -1.631 3.505 691 HE2 LYS 107 HE2 LYS 107 13.184 -2.554 2.090 692 HE3 LYS 107 HE1 LYS 107 11.539 -2.983 1.626 693 HZ1 LYS 107 HZ1 LYS 107 12.650 -0.228 1.688 694 HZ2 LYS 107 HZ2 LYS 107 11.081 -0.649 1.216 695 HZ3 LYS 107 HZ3 LYS 107 12.405 -1.158 0.293 696 HA PRO 108 HA PRO 108 10.657 3.740 3.763 697 HB2 PRO 108 HB2 PRO 108 13.122 4.897 3.769 698 HB3 PRO 108 HB3 PRO 108 11.959 5.071 5.085 699 HG2 PRO 108 HG2 PRO 108 14.362 3.321 4.898 700 HG3 PRO 108 HG3 PRO 108 13.701 4.183 6.298 701 HD2 PRO 108 HD2 PRO 108 13.366 1.502 5.833 702 HD3 PRO 108 HD3 PRO 108 12.256 2.482 6.798 703 H ALA 109 H ALA 109 11.352 4.611 1.718 704 HA ALA 109 HA ALA 109 12.245 2.686 -0.179 705 HB1 ALA 109 HB1 ALA 109 11.840 5.648 -0.456 706 HB2 ALA 109 HB2 ALA 109 10.630 4.393 -0.731 707 HB3 ALA 109 HB3 ALA 109 12.045 4.497 -1.780 708 H LEU 110 H LEU 110 13.749 4.044 -1.873 709 HA LEU 110 HA LEU 110 16.370 3.681 -0.884 710 HB2 LEU 110 HB2 LEU 110 15.565 5.164 -3.379 711 HB3 LEU 110 HB3 LEU 110 17.095 4.366 -3.051 712 HG LEU 110 HG LEU 110 14.451 2.920 -3.290 713 HD11 LEU 110 HD11 LEU 110 15.433 2.118 -5.462 714 HD12 LEU 110 HD12 LEU 110 16.617 3.420 -5.321 715 HD13 LEU 110 HD13 LEU 110 14.898 3.799 -5.443 716 HD21 LEU 110 HD21 LEU 110 16.008 1.667 -1.976 717 HD22 LEU 110 HD22 LEU 110 17.305 1.961 -3.137 718 HD23 LEU 110 HD23 LEU 110 15.932 0.948 -3.587 719 H SER 111 H SER 111 17.140 4.958 0.607 720 HA SER 111 HA SER 111 17.975 6.756 1.690 721 HB2 SER 111 HB2 SER 111 18.744 7.410 -0.648 722 HB3 SER 111 HB3 SER 111 17.326 8.455 -0.726 723 HG SER 111 HG SER 111 18.904 9.750 0.059 724 H GLY 112 H GLY 112 17.176 9.388 1.865 725 HA2 GLY 112 HA3 GLY 112 15.186 10.717 2.195 726 HA3 GLY 112 HA2 GLY 112 14.291 9.223 2.450 727 H ASN 113 H ASN 113 14.283 11.451 4.196 728 HA ASN 113 HA ASN 113 15.961 10.783 6.455 729 HB2 ASN 113 HB2 ASN 113 13.660 12.734 6.221 730 HB3 ASN 113 HB3 ASN 113 14.703 12.571 7.629 731 HD21 ASN 113 HD21 ASN 113 16.856 13.276 7.499 732 HD22 ASN 113 HD22 ASN 113 17.374 14.369 6.253 Start of MODEL 14 1 H1 GLY 17 H1 GLY 17 -12.113 9.265 37.354 2 H2 GLY 17 H2 GLY 17 -10.735 9.356 36.372 3 H3 GLY 17 H3 GLY 17 -11.798 8.044 36.224 4 HA2 GLY 17 HA2 GLY 17 -12.082 9.636 34.410 5 HA3 GLY 17 HA3 GLY 17 -13.534 9.449 35.384 6 H SER 18 H SER 18 -10.680 11.212 36.406 7 HA SER 18 HA SER 18 -12.336 13.530 36.904 8 HB2 SER 18 HB2 SER 18 -9.405 13.045 37.479 9 HB3 SER 18 HB3 SER 18 -10.365 14.396 38.079 10 HG SER 18 HG SER 18 -10.697 13.086 39.700 11 H HIS 19 H HIS 19 -12.542 15.151 35.568 12 HA HIS 19 HA HIS 19 -12.191 16.693 33.947 13 HB2 HIS 19 HB2 HIS 19 -10.050 17.010 35.341 14 HB3 HIS 19 HB1 HIS 19 -9.237 16.101 34.073 15 HD1 HIS 19 HD1 HIS 19 -8.866 19.205 34.883 16 HD2 HIS 19 HD2 HIS 19 -10.862 17.693 31.559 17 HE1 HIS 19 HE1 HIS 19 -8.876 21.066 33.188 18 HE2 HIS 19 HE2 HIS 19 -10.284 20.201 31.283 19 H MET 20 H MET 20 -13.256 14.952 32.675 20 HA MET 20 HA MET 20 -11.510 14.210 30.419 21 HB2 MET 20 HB2 MET 20 -13.734 12.581 31.653 22 HB3 MET 20 HB3 MET 20 -13.060 12.244 30.065 23 HG2 MET 20 HG2 MET 20 -10.841 11.951 31.127 24 HG3 MET 20 HG3 MET 20 -11.614 12.150 32.699 25 HE1 MET 20 HE1 MET 20 -11.434 9.969 29.436 26 HE2 MET 20 HE2 MET 20 -13.147 10.373 29.558 27 HE3 MET 20 HE3 MET 20 -12.616 8.708 29.791 28 H SER 21 H SER 21 -14.986 14.150 31.147 29 HA SER 21 HA SER 21 -16.801 14.882 30.015 30 HB2 SER 21 HB2 SER 21 -15.683 17.070 30.645 31 HB3 SER 21 HB3 SER 21 -15.020 17.113 29.013 32 HG SER 21 HG SER 21 -16.982 18.301 29.232 33 H THR 22 H THR 22 -16.485 12.934 28.704 34 HA THR 22 HA THR 22 -15.257 13.073 26.144 35 HB THR 22 HB THR 22 -17.396 11.132 27.033 36 HG1 THR 22 HG1 THR 22 -15.793 11.005 28.566 37 HG21 THR 22 HG21 THR 22 -16.868 11.057 24.648 38 HG22 THR 22 HG22 THR 22 -16.270 9.611 25.460 39 HG23 THR 22 HG23 THR 22 -15.151 10.903 25.020 40 H LEU 23 H LEU 23 -15.997 14.497 24.695 41 HA LEU 23 HA LEU 23 -18.846 14.963 24.418 42 HB2 LEU 23 HB2 LEU 23 -16.512 16.133 22.898 43 HB3 LEU 23 HB3 LEU 23 -18.180 16.653 22.759 44 HG LEU 23 HG LEU 23 -16.490 16.870 25.254 45 HD11 LEU 23 HD11 LEU 23 -15.780 18.408 23.497 46 HD12 LEU 23 HD12 LEU 23 -16.541 19.265 24.838 47 HD13 LEU 23 HD13 LEU 23 -17.434 18.997 23.342 48 HD21 LEU 23 HD21 LEU 23 -18.850 16.533 25.761 49 HD22 LEU 23 HD22 LEU 23 -19.280 17.856 24.676 50 HD23 LEU 23 HD23 LEU 23 -18.351 18.184 26.139 51 H GLU 24 H GLU 24 -20.019 14.540 22.536 52 HA GLU 24 HA GLU 24 -19.194 12.046 21.320 53 HB2 GLU 24 HB2 GLU 24 -21.772 13.593 21.008 54 HB3 GLU 24 HB3 GLU 24 -21.484 11.938 20.486 55 HG2 GLU 24 HG2 GLU 24 -21.395 12.892 23.340 56 HG3 GLU 24 HG3 GLU 24 -22.764 12.085 22.581 57 H ARG 25 H ARG 25 -17.435 13.143 20.154 58 HA ARG 25 HA ARG 25 -18.229 14.784 17.888 59 HB2 ARG 25 HB2 ARG 25 -15.498 13.827 18.776 60 HB3 ARG 25 HB1 ARG 25 -15.802 14.966 17.472 61 HG2 ARG 25 HG2 ARG 25 -16.387 15.376 20.395 62 HG3 ARG 25 HG1 ARG 25 -15.130 16.167 19.441 63 HD2 ARG 25 HD2 ARG 25 -16.853 17.209 18.047 64 HD3 ARG 25 HD1 ARG 25 -18.104 16.423 19.010 65 HE ARG 25 HE ARG 25 -16.204 18.208 20.351 66 HH11 ARG 25 HH11 ARG 25 -19.467 17.550 19.234 67 HH12 ARG 25 HH12 ARG 25 -20.177 18.850 20.144 68 HH21 ARG 25 HH21 ARG 25 -17.151 19.938 21.527 69 HH22 ARG 25 HH22 ARG 25 -18.868 20.197 21.426 70 H VAL 26 H VAL 26 -18.013 14.199 15.752 71 HA VAL 26 HA VAL 26 -18.143 11.381 15.190 72 HB VAL 26 HB VAL 26 -19.585 12.863 13.929 73 HG11 VAL 26 HG11 VAL 26 -18.261 14.893 13.955 74 HG12 VAL 26 HG12 VAL 26 -18.691 14.469 12.296 75 HG13 VAL 26 HG13 VAL 26 -17.063 14.153 12.895 76 HG21 VAL 26 HG21 VAL 26 -18.858 10.842 12.808 77 HG22 VAL 26 HG22 VAL 26 -17.431 11.671 12.189 78 HG23 VAL 26 HG23 VAL 26 -19.036 12.152 11.640 79 H VAL 27 H VAL 27 -16.481 10.122 14.776 80 HA VAL 27 HA VAL 27 -13.840 11.218 14.529 81 HB VAL 27 HB VAL 27 -14.638 8.998 15.701 82 HG11 VAL 27 HG11 VAL 27 -15.564 7.951 13.717 83 HG12 VAL 27 HG12 VAL 27 -14.211 7.009 14.345 84 HG13 VAL 27 HG13 VAL 27 -13.988 8.032 12.923 85 HG21 VAL 27 HG21 VAL 27 -12.368 9.855 15.770 86 HG22 VAL 27 HG22 VAL 27 -12.050 9.185 14.169 87 HG23 VAL 27 HG23 VAL 27 -12.366 8.108 15.529 88 H TYR 28 H TYR 28 -12.342 10.335 12.769 89 HA TYR 28 HA TYR 28 -13.403 11.062 10.241 90 HB2 TYR 28 HB2 TYR 28 -10.970 11.174 11.153 91 HB3 TYR 28 HB3 TYR 28 -10.842 9.534 10.535 92 HD1 TYR 28 HD2 TYR 28 -11.634 13.017 9.556 93 HD2 TYR 28 HD1 TYR 28 -10.453 9.150 8.230 94 HE1 TYR 28 HE2 TYR 28 -11.191 13.926 7.315 95 HE2 TYR 28 HE1 TYR 28 -9.999 10.051 5.985 96 HH TYR 28 HH TYR 28 -10.746 12.010 4.594 97 H ARG 29 H ARG 29 -13.975 9.856 8.527 98 HA ARG 29 HA ARG 29 -15.018 7.270 9.054 99 HB2 ARG 29 HB2 ARG 29 -15.728 7.343 6.676 100 HB3 ARG 29 HB1 ARG 29 -16.228 8.757 7.592 101 HG2 ARG 29 HG2 ARG 29 -14.392 10.042 6.632 102 HG3 ARG 29 HG1 ARG 29 -13.863 8.621 5.730 103 HD2 ARG 29 HD2 ARG 29 -16.583 9.883 5.453 104 HD3 ARG 29 HD1 ARG 29 -15.213 10.261 4.411 105 HE ARG 29 HE ARG 29 -15.354 7.611 4.137 106 HH11 ARG 29 HH11 ARG 29 -17.910 9.998 4.147 107 HH12 ARG 29 HH12 ARG 29 -18.859 9.175 2.936 108 HH21 ARG 29 HH21 ARG 29 -16.615 6.499 2.568 109 HH22 ARG 29 HH22 ARG 29 -18.125 7.195 2.047 110 HA PRO 30 HA PRO 30 -11.514 4.706 7.912 111 HB2 PRO 30 HB2 PRO 30 -13.770 2.827 7.447 112 HB3 PRO 30 HB3 PRO 30 -12.303 2.615 8.398 113 HG2 PRO 30 HG2 PRO 30 -14.646 3.021 9.581 114 HG3 PRO 30 HG3 PRO 30 -13.146 3.711 10.220 115 HD2 PRO 30 HD2 PRO 30 -15.341 5.043 8.739 116 HD3 PRO 30 HD3 PRO 30 -14.309 5.655 10.035 117 H ASP 31 H ASP 31 -11.055 3.249 6.022 118 HA ASP 31 HA ASP 31 -10.838 2.833 3.839 119 HB2 ASP 31 HB2 ASP 31 -13.180 2.371 3.671 120 HB3 ASP 31 HB3 ASP 31 -13.569 4.085 3.602 121 H ILE 32 H ILE 32 -9.356 3.804 2.891 122 HA ILE 32 HA ILE 32 -8.666 6.461 3.295 123 HB ILE 32 HB ILE 32 -7.739 4.600 1.117 124 HG12 ILE 32 HG12 ILE 32 -7.375 3.831 3.436 125 HG13 ILE 32 HG13 ILE 32 -5.863 4.202 2.617 126 HG21 ILE 32 HG21 ILE 32 -5.717 6.155 1.225 127 HG22 ILE 32 HG22 ILE 32 -6.825 7.313 1.978 128 HG23 ILE 32 HG23 ILE 32 -7.142 6.712 0.342 129 HD11 ILE 32 HD11 ILE 32 -5.900 5.002 4.923 130 HD12 ILE 32 HD12 ILE 32 -7.282 6.026 4.543 131 HD13 ILE 32 HD13 ILE 32 -5.725 6.319 3.769 132 H ASN 33 H ASN 33 -8.788 8.282 2.178 133 HA ASN 33 HA ASN 33 -11.059 8.578 0.447 134 HB2 ASN 33 HB2 ASN 33 -9.030 10.630 1.372 135 HB3 ASN 33 HB3 ASN 33 -10.548 10.986 0.560 136 HD21 ASN 33 HD21 ASN 33 -10.425 8.428 2.891 137 HD22 ASN 33 HD22 ASN 33 -11.243 9.249 4.157 138 H GLN 34 H GLN 34 -7.565 8.579 0.152 139 HA GLN 34 HA GLN 34 -7.730 9.155 -2.676 140 HB2 GLN 34 HB2 GLN 34 -5.366 9.171 -2.747 141 HB3 GLN 34 HB3 GLN 34 -5.771 9.937 -1.225 142 HG2 GLN 34 HG2 GLN 34 -5.009 8.145 0.029 143 HG3 GLN 34 HG3 GLN 34 -5.142 7.023 -1.331 144 HE21 GLN 34 HE21 GLN 34 -2.952 7.694 0.459 145 HE22 GLN 34 HE22 GLN 34 -1.633 8.157 -0.557 146 H GLY 35 H GLY 35 -6.468 7.572 -4.137 147 HA2 GLY 35 HA3 GLY 35 -6.598 4.820 -3.295 148 HA3 GLY 35 HA2 GLY 35 -7.855 5.270 -4.438 149 H ASN 36 H ASN 36 -4.530 4.585 -3.979 150 HA ASN 36 HA ASN 36 -4.237 4.174 -6.838 151 HB2 ASN 36 HB2 ASN 36 -3.410 6.514 -6.373 152 HB3 ASN 36 HB3 ASN 36 -2.201 5.819 -5.307 153 HD21 ASN 36 HD21 ASN 36 -1.799 7.423 -7.625 154 HD22 ASN 36 HD22 ASN 36 -0.879 6.473 -8.733 155 H TYR 37 H TYR 37 -2.343 4.296 -3.852 156 HA TYR 37 HA TYR 37 -1.390 1.590 -4.412 157 HB2 TYR 37 HB2 TYR 37 0.512 2.303 -2.855 158 HB3 TYR 37 HB3 TYR 37 0.479 3.020 -4.457 159 HD1 TYR 37 HD2 TYR 37 -1.075 3.796 -1.134 160 HD2 TYR 37 HD1 TYR 37 1.117 5.228 -4.485 161 HE1 TYR 37 HE2 TYR 37 -0.988 6.024 -0.113 162 HE2 TYR 37 HE1 TYR 37 1.215 7.467 -3.466 163 HH TYR 37 HH TYR 37 0.135 8.811 -1.831 164 H LEU 38 H LEU 38 -0.347 1.007 -1.933 165 HA LEU 38 HA LEU 38 -2.756 0.352 -0.462 166 HB2 LEU 38 HB2 LEU 38 -0.889 -1.253 -0.964 167 HB3 LEU 38 HB3 LEU 38 0.114 -0.350 0.156 168 HG LEU 38 HG LEU 38 -1.831 -0.886 1.836 169 HD11 LEU 38 HD11 LEU 38 -3.380 -1.845 0.331 170 HD12 LEU 38 HD12 LEU 38 -2.758 -3.154 1.332 171 HD13 LEU 38 HD13 LEU 38 -2.170 -2.941 -0.320 172 HD21 LEU 38 HD21 LEU 38 0.454 -1.645 2.097 173 HD22 LEU 38 HD22 LEU 38 0.170 -2.944 0.940 174 HD23 LEU 38 HD23 LEU 38 -0.679 -2.939 2.486 175 H THR 39 H THR 39 -2.777 0.620 1.929 176 HA THR 39 HA THR 39 -1.099 2.816 2.890 177 HB THR 39 HB THR 39 -2.892 3.630 4.278 178 HG1 THR 39 HG1 THR 39 -4.478 1.524 3.147 179 HG21 THR 39 HG21 THR 39 -2.731 3.997 1.657 180 HG22 THR 39 HG22 THR 39 -3.979 4.755 2.643 181 HG23 THR 39 HG23 THR 39 -4.343 3.291 1.726 182 H ALA 40 H ALA 40 -1.312 2.851 5.450 183 HA ALA 40 HA ALA 40 -0.134 0.381 6.317 184 HB1 ALA 40 HB1 ALA 40 -0.967 2.798 7.914 185 HB2 ALA 40 HB2 ALA 40 0.635 2.487 7.239 186 HB3 ALA 40 HB3 ALA 40 0.002 1.454 8.520 187 H ASN 41 H ASN 41 -3.265 1.880 6.529 188 HA ASN 41 HA ASN 41 -4.566 0.348 8.441 189 HB2 ASN 41 HB2 ASN 41 -5.661 1.248 5.764 190 HB3 ASN 41 HB3 ASN 41 -6.618 0.767 7.142 191 HD21 ASN 41 HD21 ASN 41 -4.853 3.223 5.654 192 HD22 ASN 41 HD22 ASN 41 -5.153 4.460 6.823 193 H ASP 42 H ASP 42 -3.996 -0.285 5.050 194 HA ASP 42 HA ASP 42 -5.345 -2.777 4.994 195 HB2 ASP 42 HB2 ASP 42 -3.360 -1.538 3.096 196 HB3 ASP 42 HB3 ASP 42 -4.209 -3.047 2.778 197 H VAL 43 H VAL 43 -2.028 -1.835 5.616 198 HA VAL 43 HA VAL 43 -0.914 -4.431 5.558 199 HB VAL 43 HB VAL 43 -0.067 -2.087 7.272 200 HG11 VAL 43 HG11 VAL 43 1.391 -4.582 6.437 201 HG12 VAL 43 HG12 VAL 43 0.796 -4.226 8.065 202 HG13 VAL 43 HG13 VAL 43 2.091 -3.248 7.365 203 HG21 VAL 43 HG21 VAL 43 1.247 -2.975 4.768 204 HG22 VAL 43 HG22 VAL 43 1.325 -1.403 5.561 205 HG23 VAL 43 HG23 VAL 43 -0.135 -1.888 4.694 206 H SER 44 H SER 44 -2.402 -2.520 8.117 207 HA SER 44 HA SER 44 -2.252 -4.391 10.189 208 HB2 SER 44 HB2 SER 44 -2.857 -2.079 10.581 209 HB3 SER 44 HB3 SER 44 -4.337 -2.267 9.642 210 HG SER 44 HG SER 44 -3.912 -3.999 11.796 211 H LYS 45 H LYS 45 -4.458 -4.054 7.492 212 HA LYS 45 HA LYS 45 -6.409 -5.914 8.241 213 HB2 LYS 45 HB2 LYS 45 -5.465 -4.887 5.599 214 HB3 LYS 45 HB1 LYS 45 -6.728 -6.108 5.712 215 HG2 LYS 45 HG2 LYS 45 -8.121 -4.624 6.970 216 HG3 LYS 45 HG1 LYS 45 -6.840 -3.417 7.067 217 HD2 LYS 45 HD2 LYS 45 -8.601 -2.937 5.353 218 HD3 LYS 45 HD1 LYS 45 -6.965 -3.022 4.704 219 HE2 LYS 45 HE2 LYS 45 -7.509 -5.488 4.278 220 HE3 LYS 45 HE1 LYS 45 -9.189 -4.998 4.476 221 HZ1 LYS 45 HZ1 LYS 45 -8.319 -4.970 2.130 222 HZ2 LYS 45 HZ2 LYS 45 -7.369 -3.635 2.570 223 HZ3 LYS 45 HZ3 LYS 45 -9.060 -3.541 2.654 224 H ILE 46 H ILE 46 -3.368 -6.370 6.434 225 HA ILE 46 HA ILE 46 -3.904 -9.172 6.176 226 HB ILE 46 HB ILE 46 -1.691 -9.403 5.210 227 HG12 ILE 46 HG12 ILE 46 -1.365 -6.401 5.437 228 HG13 ILE 46 HG13 ILE 46 -0.586 -7.555 6.519 229 HG21 ILE 46 HG21 ILE 46 -2.144 -8.230 3.171 230 HG22 ILE 46 HG22 ILE 46 -3.241 -7.132 4.009 231 HG23 ILE 46 HG23 ILE 46 -3.639 -8.845 3.870 232 HD11 ILE 46 HD11 ILE 46 -0.269 -7.856 3.568 233 HD12 ILE 46 HD12 ILE 46 0.810 -8.360 4.881 234 HD13 ILE 46 HD13 ILE 46 0.692 -6.651 4.449 235 H ARG 47 H ARG 47 -1.916 -10.590 6.647 236 HA ARG 47 HA ARG 47 -0.662 -10.202 9.175 237 HB2 ARG 47 HB2 ARG 47 -1.879 -12.027 10.366 238 HB3 ARG 47 HB1 ARG 47 -2.882 -10.619 10.058 239 HG2 ARG 47 HG2 ARG 47 -2.924 -12.923 8.159 240 HG3 ARG 47 HG1 ARG 47 -3.831 -13.007 9.669 241 HD2 ARG 47 HD2 ARG 47 -5.051 -10.985 9.065 242 HD3 ARG 47 HD1 ARG 47 -4.107 -10.838 7.584 243 HE ARG 47 HE ARG 47 -5.324 -13.351 7.568 244 HH11 ARG 47 HH11 ARG 47 -6.262 -9.963 7.448 245 HH12 ARG 47 HH12 ARG 47 -7.708 -10.272 6.538 246 HH21 ARG 47 HH21 ARG 47 -7.229 -13.736 6.348 247 HH22 ARG 47 HH22 ARG 47 -8.252 -12.398 5.914 248 H VAL 48 H VAL 48 0.872 -11.694 9.594 249 HA VAL 48 HA VAL 48 1.835 -13.162 7.362 250 HB VAL 48 HB VAL 48 2.867 -13.759 10.061 251 HG11 VAL 48 HG11 VAL 48 4.154 -13.000 7.446 252 HG12 VAL 48 HG12 VAL 48 3.972 -14.637 8.085 253 HG13 VAL 48 HG13 VAL 48 5.022 -13.483 8.906 254 HG21 VAL 48 HG21 VAL 48 3.034 -11.043 8.797 255 HG22 VAL 48 HG22 VAL 48 4.116 -11.586 10.084 256 HG23 VAL 48 HG23 VAL 48 2.381 -11.445 10.384 257 H GLY 49 H GLY 49 1.859 -15.364 7.040 258 HA2 GLY 49 HA3 GLY 49 1.448 -17.606 7.989 259 HA3 GLY 49 HA2 GLY 49 0.061 -16.897 8.805 260 H MET 50 H MET 50 -0.609 -15.271 6.384 261 HA MET 50 HA MET 50 -1.965 -17.417 4.981 262 HB2 MET 50 HB2 MET 50 -3.259 -15.649 3.841 263 HB3 MET 50 HB3 MET 50 -3.444 -15.660 5.583 264 HG2 MET 50 HG2 MET 50 -1.936 -13.731 5.721 265 HG3 MET 50 HG3 MET 50 -1.768 -13.762 3.969 266 HE1 MET 50 HE1 MET 50 -3.794 -10.733 3.808 267 HE2 MET 50 HE2 MET 50 -2.201 -11.387 4.230 268 HE3 MET 50 HE3 MET 50 -3.295 -10.843 5.502 269 H THR 51 H THR 51 -2.327 -16.806 2.518 270 HA THR 51 HA THR 51 0.346 -17.257 1.478 271 HB THR 51 HB THR 51 -0.725 -18.205 -0.451 272 HG1 THR 51 HG1 THR 51 -3.278 -18.160 0.073 273 HG21 THR 51 HG21 THR 51 -1.994 -18.938 2.145 274 HG22 THR 51 HG22 THR 51 -0.628 -19.726 1.348 275 HG23 THR 51 HG23 THR 51 -2.253 -19.859 0.668 276 H GLN 52 H GLN 52 0.360 -16.622 -1.033 277 HA GLN 52 HA GLN 52 0.368 -13.823 -1.258 278 HB2 GLN 52 HB2 GLN 52 0.275 -15.914 -3.440 279 HB3 GLN 52 HB3 GLN 52 0.677 -14.225 -3.647 280 HG2 GLN 52 HG2 GLN 52 2.594 -14.553 -2.094 281 HG3 GLN 52 HG3 GLN 52 2.239 -16.278 -2.122 282 HE21 GLN 52 HE21 GLN 52 4.623 -14.833 -3.013 283 HE22 GLN 52 HE22 GLN 52 4.826 -15.221 -4.685 284 H GLN 53 H GLN 53 -1.997 -16.297 -2.248 285 HA GLN 53 HA GLN 53 -3.608 -14.501 -3.748 286 HB2 GLN 53 HB2 GLN 53 -5.331 -16.231 -3.685 287 HB3 GLN 53 HB3 GLN 53 -3.768 -16.897 -4.105 288 HG2 GLN 53 HG2 GLN 53 -4.035 -18.409 -2.542 289 HG3 GLN 53 HG3 GLN 53 -3.990 -17.129 -1.335 290 HE21 GLN 53 HE21 GLN 53 -6.493 -15.918 -2.238 291 HE22 GLN 53 HE22 GLN 53 -7.757 -16.980 -1.722 292 H GLN 54 H GLN 54 -3.550 -15.502 -0.438 293 HA GLN 54 HA GLN 54 -5.901 -14.254 0.451 294 HB2 GLN 54 HB2 GLN 54 -3.313 -14.534 1.973 295 HB3 GLN 54 HB3 GLN 54 -4.905 -14.293 2.666 296 HG2 GLN 54 HG2 GLN 54 -4.773 -16.651 0.981 297 HG3 GLN 54 HG3 GLN 54 -3.612 -16.689 2.303 298 HE21 GLN 54 HE21 GLN 54 -4.570 -18.237 3.481 299 HE22 GLN 54 HE22 GLN 54 -6.122 -18.054 4.246 300 H VAL 55 H VAL 55 -2.551 -13.061 0.387 301 HA VAL 55 HA VAL 55 -3.233 -10.514 1.417 302 HB VAL 55 HB VAL 55 -0.759 -11.492 0.011 303 HG11 VAL 55 HG11 VAL 55 -1.150 -8.927 1.531 304 HG12 VAL 55 HG12 VAL 55 -1.095 -9.048 -0.227 305 HG13 VAL 55 HG13 VAL 55 0.326 -9.473 0.732 306 HG21 VAL 55 HG21 VAL 55 -1.064 -10.778 2.894 307 HG22 VAL 55 HG22 VAL 55 0.155 -11.803 2.124 308 HG23 VAL 55 HG23 VAL 55 -1.504 -12.393 2.304 309 H ALA 56 H ALA 56 -2.681 -11.742 -1.860 310 HA ALA 56 HA ALA 56 -2.692 -9.301 -3.220 311 HB1 ALA 56 HB1 ALA 56 -2.095 -11.085 -4.565 312 HB2 ALA 56 HB2 ALA 56 -3.736 -10.755 -5.109 313 HB3 ALA 56 HB3 ALA 56 -3.429 -12.090 -4.000 314 H TYR 57 H TYR 57 -5.273 -11.239 -1.921 315 HA TYR 57 HA TYR 57 -7.303 -9.688 -3.240 316 HB2 TYR 57 HB2 TYR 57 -7.236 -12.026 -1.407 317 HB3 TYR 57 HB3 TYR 57 -8.739 -11.113 -1.569 318 HD1 TYR 57 HD2 TYR 57 -6.231 -11.581 -4.291 319 HD2 TYR 57 HD1 TYR 57 -10.026 -12.765 -2.707 320 HE1 TYR 57 HE2 TYR 57 -6.753 -12.731 -6.375 321 HE2 TYR 57 HE1 TYR 57 -10.540 -13.921 -4.815 322 HH TYR 57 HH TYR 57 -9.875 -13.875 -7.157 323 H ALA 58 H ALA 58 -5.865 -9.873 -0.034 324 HA ALA 58 HA ALA 58 -7.670 -8.055 1.224 325 HB1 ALA 58 HB1 ALA 58 -4.891 -8.828 2.109 326 HB2 ALA 58 HB2 ALA 58 -6.351 -9.779 2.410 327 HB3 ALA 58 HB3 ALA 58 -6.196 -8.166 3.108 328 H LEU 59 H LEU 59 -4.471 -7.785 -0.209 329 HA LEU 59 HA LEU 59 -4.245 -4.991 0.576 330 HB2 LEU 59 HB2 LEU 59 -2.475 -7.183 0.211 331 HB3 LEU 59 HB3 LEU 59 -2.007 -5.932 -0.918 332 HG LEU 59 HG LEU 59 -1.483 -4.423 0.780 333 HD11 LEU 59 HD11 LEU 59 -3.205 -6.182 2.490 334 HD12 LEU 59 HD12 LEU 59 -3.424 -4.465 2.098 335 HD13 LEU 59 HD13 LEU 59 -2.117 -4.972 3.176 336 HD21 LEU 59 HD21 LEU 59 -0.849 -7.181 1.779 337 HD22 LEU 59 HD22 LEU 59 -0.068 -5.701 2.341 338 HD23 LEU 59 HD23 LEU 59 0.125 -6.222 0.666 339 H GLY 60 H GLY 60 -5.199 -6.795 -2.116 340 HA2 GLY 60 HA3 GLY 60 -5.969 -5.908 -4.159 341 HA3 GLY 60 HA2 GLY 60 -5.058 -4.438 -3.834 342 H THR 61 H THR 61 -5.181 -6.920 -5.878 343 HA THR 61 HA THR 61 -2.630 -7.943 -5.983 344 HB THR 61 HB THR 61 -3.171 -8.404 -8.388 345 HG1 THR 61 HG1 THR 61 -4.709 -6.976 -8.990 346 HG21 THR 61 HG21 THR 61 -5.106 -9.310 -6.320 347 HG22 THR 61 HG22 THR 61 -3.515 -10.004 -6.587 348 HG23 THR 61 HG23 THR 61 -4.770 -10.139 -7.829 349 HA PRO 62 HA PRO 62 -0.103 -4.522 -6.867 350 HB2 PRO 62 HB2 PRO 62 1.567 -6.766 -7.854 351 HB3 PRO 62 HB3 PRO 62 1.982 -5.475 -6.728 352 HG2 PRO 62 HG2 PRO 62 1.477 -7.899 -5.787 353 HG3 PRO 62 HG3 PRO 62 0.826 -6.474 -4.961 354 HD2 PRO 62 HD2 PRO 62 -0.595 -8.389 -6.778 355 HD3 PRO 62 HD3 PRO 62 -1.163 -7.623 -5.300 356 H LEU 63 H LEU 63 1.095 -3.579 -8.575 357 HA LEU 63 HA LEU 63 -0.504 -3.464 -10.943 358 HB2 LEU 63 HB2 LEU 63 2.099 -2.037 -10.529 359 HB3 LEU 63 HB3 LEU 63 0.679 -1.501 -11.410 360 HG LEU 63 HG LEU 63 0.307 -1.921 -8.510 361 HD11 LEU 63 HD11 LEU 63 2.549 -0.954 -8.622 362 HD12 LEU 63 HD12 LEU 63 1.376 0.169 -7.919 363 HD13 LEU 63 HD13 LEU 63 1.920 0.384 -9.586 364 HD21 LEU 63 HD21 LEU 63 -1.463 -1.082 -9.984 365 HD22 LEU 63 HD22 LEU 63 -0.448 0.297 -10.409 366 HD23 LEU 63 HD23 LEU 63 -1.020 0.102 -8.752 367 H MET 64 H MET 64 2.457 -4.861 -9.939 368 HA MET 64 HA MET 64 3.608 -5.331 -12.487 369 HB2 MET 64 HB2 MET 64 4.958 -7.069 -11.266 370 HB3 MET 64 HB3 MET 64 5.045 -5.440 -10.613 371 HG2 MET 64 HG2 MET 64 3.293 -6.137 -8.952 372 HG3 MET 64 HG3 MET 64 3.533 -7.795 -9.502 373 HE1 MET 64 HE1 MET 64 4.690 -8.840 -6.992 374 HE2 MET 64 HE2 MET 64 3.537 -7.506 -6.932 375 HE3 MET 64 HE3 MET 64 5.025 -7.429 -5.980 376 H SER 65 H SER 65 0.727 -6.169 -11.918 377 HA SER 65 HA SER 65 -0.594 -7.387 -13.279 378 HB2 SER 65 HB2 SER 65 1.082 -7.260 -14.993 379 HB3 SER 65 HB3 SER 65 1.975 -8.593 -14.266 380 HG SER 65 HG SER 65 0.554 -10.007 -15.015 381 H ASP 66 H ASP 66 1.910 -9.457 -11.990 382 HA ASP 66 HA ASP 66 -0.166 -11.409 -11.285 383 HB2 ASP 66 HB2 ASP 66 2.536 -11.976 -12.523 384 HB3 ASP 66 HB3 ASP 66 1.480 -13.212 -11.854 385 HA PRO 67 HA PRO 67 1.946 -10.578 -7.346 386 HB2 PRO 67 HB2 PRO 67 -0.006 -11.997 -5.958 387 HB3 PRO 67 HB3 PRO 67 -0.020 -10.257 -6.247 388 HG2 PRO 67 HG2 PRO 67 -1.478 -12.431 -7.666 389 HG3 PRO 67 HG3 PRO 67 -2.007 -10.777 -7.300 390 HD2 PRO 67 HD2 PRO 67 -1.176 -11.521 -9.773 391 HD3 PRO 67 HD3 PRO 67 -0.891 -9.890 -9.136 392 H PHE 68 H PHE 68 0.597 -13.597 -8.620 393 HA PHE 68 HA PHE 68 2.198 -15.294 -6.951 394 HB2 PHE 68 HB2 PHE 68 0.254 -15.657 -9.182 395 HB3 PHE 68 HB3 PHE 68 1.354 -16.972 -8.816 396 HD1 PHE 68 HD2 PHE 68 -0.898 -14.626 -6.990 397 HD2 PHE 68 HD1 PHE 68 0.602 -18.583 -7.395 398 HE1 PHE 68 HE2 PHE 68 -2.401 -15.374 -5.197 399 HE2 PHE 68 HE1 PHE 68 -0.896 -19.340 -5.600 400 HZ PHE 68 HZ PHE 68 -2.400 -17.733 -4.499 401 H GLY 69 H GLY 69 3.134 -13.324 -9.362 402 HA2 GLY 69 HA3 GLY 69 4.835 -15.269 -10.751 403 HA3 GLY 69 HA2 GLY 69 4.578 -13.593 -11.224 404 H THR 70 H THR 70 4.969 -13.080 -8.188 405 HA THR 70 HA THR 70 7.910 -13.110 -8.249 406 HB THR 70 HB THR 70 6.835 -10.829 -8.696 407 HG1 THR 70 HG1 THR 70 8.581 -9.987 -7.809 408 HG21 THR 70 HG21 THR 70 5.008 -11.041 -7.099 409 HG22 THR 70 HG22 THR 70 6.008 -9.625 -6.754 410 HG23 THR 70 HG23 THR 70 6.175 -11.079 -5.773 411 H ASN 71 H ASN 71 8.729 -12.566 -5.911 412 HA ASN 71 HA ASN 71 6.981 -13.869 -3.925 413 HB2 ASN 71 HB2 ASN 71 9.264 -15.012 -4.914 414 HB3 ASN 71 HB3 ASN 71 9.878 -14.172 -3.491 415 HD21 ASN 71 HD21 ASN 71 10.330 -16.213 -2.563 416 HD22 ASN 71 HD22 ASN 71 9.065 -17.153 -1.844 417 H THR 72 H THR 72 8.145 -11.068 -4.818 418 HA THR 72 HA THR 72 8.446 -10.036 -2.082 419 HB THR 72 HB THR 72 9.990 -8.993 -4.456 420 HG1 THR 72 HG1 THR 72 11.050 -10.632 -2.365 421 HG21 THR 72 HG21 THR 72 9.577 -7.474 -2.555 422 HG22 THR 72 HG22 THR 72 11.289 -7.836 -2.780 423 HG23 THR 72 HG23 THR 72 10.381 -8.624 -1.490 424 H TRP 73 H TRP 73 6.727 -8.733 -1.776 425 HA TRP 73 HA TRP 73 5.562 -7.406 -4.127 426 HB2 TRP 73 HB2 TRP 73 4.345 -8.093 -1.448 427 HB3 TRP 73 HB3 TRP 73 3.523 -7.153 -2.690 428 HD1 TRP 73 HD TRP 73 5.497 -9.806 -4.311 429 HE1 TRP 73 HE1 TRP 73 3.991 -11.777 -4.995 430 HE3 TRP 73 HE3 TRP 73 1.308 -8.567 -1.671 431 HZ2 TRP 73 HZ2 TRP 73 1.396 -12.685 -4.469 432 HZ3 TRP 73 HZ3 TRP 73 -0.646 -10.050 -1.818 433 HH2 TRP 73 HH TRP 73 -0.600 -12.070 -3.190 434 H PHE 74 H PHE 74 5.163 -5.227 -4.174 435 HA PHE 74 HA PHE 74 6.458 -3.673 -2.037 436 HB2 PHE 74 HB2 PHE 74 6.217 -2.801 -4.918 437 HB3 PHE 74 HB3 PHE 74 7.215 -2.088 -3.652 438 HD1 PHE 74 HD2 PHE 74 8.986 -3.745 -2.602 439 HD2 PHE 74 HD1 PHE 74 7.209 -4.202 -6.442 440 HE1 PHE 74 HE2 PHE 74 10.862 -5.182 -3.299 441 HE2 PHE 74 HE1 PHE 74 9.077 -5.638 -7.143 442 HZ PHE 74 HZ PHE 74 10.908 -6.128 -5.573 443 H TYR 75 H TYR 75 5.063 -2.659 -0.871 444 HA TYR 75 HA TYR 75 2.812 -1.241 -2.139 445 HB2 TYR 75 HB2 TYR 75 2.824 -2.769 0.462 446 HB3 TYR 75 HB3 TYR 75 1.535 -1.701 -0.020 447 HD1 TYR 75 HD1 TYR 75 0.220 -2.308 -2.132 448 HD2 TYR 75 HD2 TYR 75 2.867 -4.964 -0.158 449 HE1 TYR 75 HE1 TYR 75 -0.914 -4.209 -3.205 450 HE2 TYR 75 HE2 TYR 75 1.764 -6.898 -1.233 451 HH TYR 75 HH TYR 75 -0.784 -6.419 -3.643 452 H VAL 76 H VAL 76 1.975 0.461 -0.295 453 HA VAL 76 HA VAL 76 4.267 1.493 1.185 454 HB VAL 76 HB VAL 76 4.079 2.512 -1.221 455 HG11 VAL 76 HG11 VAL 76 2.011 4.147 0.219 456 HG12 VAL 76 HG12 VAL 76 1.750 3.102 -1.178 457 HG13 VAL 76 HG13 VAL 76 2.739 4.553 -1.336 458 HG21 VAL 76 HG21 VAL 76 5.700 3.277 0.360 459 HG22 VAL 76 HG22 VAL 76 4.483 4.201 1.230 460 HG23 VAL 76 HG23 VAL 76 4.948 4.682 -0.401 461 H PHE 77 H PHE 77 3.309 3.738 2.273 462 HA PHE 77 HA PHE 77 0.872 2.802 3.613 463 HB2 PHE 77 HB2 PHE 77 3.048 4.692 4.482 464 HB3 PHE 77 HB3 PHE 77 1.527 4.562 5.348 465 HD1 PHE 77 HD2 PHE 77 1.922 1.370 4.269 466 HD2 PHE 77 HD1 PHE 77 3.764 4.131 6.925 467 HE1 PHE 77 HE2 PHE 77 2.822 -0.497 5.584 468 HE2 PHE 77 HE1 PHE 77 4.668 2.266 8.247 469 HZ PHE 77 HZ PHE 77 4.196 -0.055 7.576 470 H ARG 78 H ARG 78 -0.313 4.835 4.678 471 HA ARG 78 HA ARG 78 -1.782 6.029 2.646 472 HB2 ARG 78 HB2 ARG 78 -2.587 5.536 4.903 473 HB3 ARG 78 HB1 ARG 78 -1.506 6.752 5.562 474 HG2 ARG 78 HG2 ARG 78 -2.712 8.438 4.173 475 HG3 ARG 78 HG1 ARG 78 -3.854 7.148 3.792 476 HD2 ARG 78 HD2 ARG 78 -4.664 7.028 5.952 477 HD3 ARG 78 HD1 ARG 78 -3.203 7.736 6.641 478 HE ARG 78 HE ARG 78 -4.196 9.775 5.198 479 HH11 ARG 78 HH11 ARG 78 -5.665 7.641 7.562 480 HH12 ARG 78 HH12 ARG 78 -6.755 8.861 8.166 481 HH21 ARG 78 HH21 ARG 78 -5.622 11.357 5.965 482 HH22 ARG 78 HH22 ARG 78 -6.736 10.981 7.244 483 H GLN 79 H GLN 79 -1.630 7.893 1.579 484 HA GLN 79 HA GLN 79 -0.511 9.685 0.639 485 HB2 GLN 79 HB2 GLN 79 -2.382 10.354 2.190 486 HB3 GLN 79 HB3 GLN 79 -1.138 10.774 3.344 487 HG2 GLN 79 HG2 GLN 79 -0.202 12.358 1.674 488 HG3 GLN 79 HG3 GLN 79 -1.587 12.002 0.639 489 HE21 GLN 79 HE21 GLN 79 -2.526 13.989 0.678 490 HE22 GLN 79 HE22 GLN 79 -3.178 14.712 2.109 491 H GLN 80 H GLN 80 1.674 8.493 0.855 492 HA GLN 80 HA GLN 80 3.441 9.458 2.924 493 HB2 GLN 80 HB2 GLN 80 3.957 7.804 0.479 494 HB3 GLN 80 HB3 GLN 80 5.119 8.114 1.744 495 HG2 GLN 80 HG2 GLN 80 2.497 6.742 2.181 496 HG3 GLN 80 HG3 GLN 80 4.010 5.911 1.871 497 HE21 GLN 80 HE21 GLN 80 2.150 7.693 4.175 498 HE22 GLN 80 HE22 GLN 80 3.196 7.422 5.530 499 HA PRO 81 HA PRO 81 5.460 12.783 0.804 500 HB2 PRO 81 HB2 PRO 81 7.989 11.876 1.954 501 HB3 PRO 81 HB3 PRO 81 7.053 13.324 2.328 502 HG2 PRO 81 HG2 PRO 81 7.295 11.269 4.065 503 HG3 PRO 81 HG3 PRO 81 5.840 12.278 3.975 504 HD2 PRO 81 HD2 PRO 81 6.317 9.553 2.826 505 HD3 PRO 81 HD3 PRO 81 4.879 10.180 3.637 506 H GLY 82 H GLY 82 5.519 12.330 -1.346 507 HA2 GLY 82 HA3 GLY 82 7.815 10.731 -2.290 508 HA3 GLY 82 HA2 GLY 82 6.225 10.584 -3.026 509 H HIS 83 H HIS 83 7.673 13.588 -1.936 510 HA HIS 83 HA HIS 83 8.113 14.364 -4.737 511 HB2 HIS 83 HB2 HIS 83 6.782 16.038 -2.598 512 HB3 HIS 83 HB1 HIS 83 7.305 16.659 -4.158 513 HD1 HIS 83 HD1 HIS 83 4.556 14.844 -2.489 514 HD2 HIS 83 HD2 HIS 83 5.781 15.688 -6.373 515 HE1 HIS 83 HE1 HIS 83 2.577 14.317 -3.957 516 HE2 HIS 83 HE2 HIS 83 3.375 14.731 -6.313 517 H GLU 84 H GLU 84 8.525 15.887 -1.538 518 HA GLU 84 HA GLU 84 11.305 16.477 -2.209 519 HB2 GLU 84 HB2 GLU 84 9.646 17.242 0.183 520 HB3 GLU 84 HB3 GLU 84 11.295 17.761 -0.101 521 HG2 GLU 84 HG2 GLU 84 10.677 19.051 -1.970 522 HG3 GLU 84 HG3 GLU 84 9.061 18.346 -2.007 523 H GLY 85 H GLY 85 12.887 15.218 -1.573 524 HA2 GLY 85 HA3 GLY 85 14.022 13.483 -0.574 525 HA3 GLY 85 HA2 GLY 85 13.337 14.130 0.911 526 H VAL 86 H VAL 86 12.476 12.055 -1.857 527 HA VAL 86 HA VAL 86 10.193 10.903 -0.785 528 HB VAL 86 HB VAL 86 12.168 9.442 -2.494 529 HG11 VAL 86 HG11 VAL 86 9.202 9.089 -2.183 530 HG12 VAL 86 HG12 VAL 86 10.447 8.030 -1.515 531 HG13 VAL 86 HG13 VAL 86 10.250 8.170 -3.265 532 HG21 VAL 86 HG21 VAL 86 9.921 11.258 -3.333 533 HG22 VAL 86 HG22 VAL 86 10.898 10.273 -4.423 534 HG23 VAL 86 HG23 VAL 86 11.643 11.589 -3.513 535 H THR 87 H THR 87 9.792 9.446 0.674 536 HA THR 87 HA THR 87 11.851 7.711 1.738 537 HB THR 87 HB THR 87 12.113 9.906 2.931 538 HG1 THR 87 HG1 THR 87 12.011 8.886 5.071 539 HG21 THR 87 HG21 THR 87 9.740 10.536 2.918 540 HG22 THR 87 HG22 THR 87 10.406 10.558 4.553 541 HG23 THR 87 HG23 THR 87 9.388 9.214 4.030 542 H GLN 88 H GLN 88 8.987 7.890 0.559 543 HA GLN 88 HA GLN 88 6.936 7.108 2.025 544 HB2 GLN 88 HB2 GLN 88 7.970 5.981 -0.555 545 HB3 GLN 88 HB3 GLN 88 6.445 5.483 0.131 546 HG2 GLN 88 HG2 GLN 88 5.706 7.825 0.120 547 HG3 GLN 88 HG3 GLN 88 7.193 8.236 -0.703 548 HE21 GLN 88 HE21 GLN 88 4.132 6.748 -0.957 549 HE22 GLN 88 HE22 GLN 88 4.121 6.568 -2.679 550 H GLN 89 H GLN 89 6.644 5.718 3.625 551 HA GLN 89 HA GLN 89 8.443 3.571 4.134 552 HB2 GLN 89 HB2 GLN 89 5.801 4.386 5.327 553 HB3 GLN 89 HB3 GLN 89 6.642 2.930 5.845 554 HG2 GLN 89 HG2 GLN 89 8.496 4.173 6.629 555 HG3 GLN 89 HG3 GLN 89 7.899 5.655 5.881 556 HE21 GLN 89 HE21 GLN 89 8.550 4.977 8.694 557 HE22 GLN 89 HE22 GLN 89 7.121 5.344 9.593 558 H THR 90 H THR 90 8.548 2.022 2.726 559 HA THR 90 HA THR 90 6.204 1.121 1.298 560 HB THR 90 HB THR 90 8.007 -0.323 0.144 561 HG1 THR 90 HG1 THR 90 9.505 0.615 2.021 562 HG21 THR 90 HG21 THR 90 8.850 2.061 -0.844 563 HG22 THR 90 HG22 THR 90 7.314 2.498 -0.096 564 HG23 THR 90 HG23 THR 90 7.375 1.226 -1.323 565 H LEU 91 H LEU 91 5.268 -0.762 1.498 566 HA LEU 91 HA LEU 91 6.176 -2.573 3.595 567 HB2 LEU 91 HB2 LEU 91 3.788 -1.982 3.518 568 HB3 LEU 91 HB3 LEU 91 3.688 -2.627 1.899 569 HG LEU 91 HG LEU 91 4.373 -4.860 2.835 570 HD11 LEU 91 HD11 LEU 91 3.759 -5.023 5.322 571 HD12 LEU 91 HD12 LEU 91 4.081 -3.281 5.355 572 HD13 LEU 91 HD13 LEU 91 5.353 -4.408 4.872 573 HD21 LEU 91 HD21 LEU 91 2.166 -5.360 3.837 574 HD22 LEU 91 HD22 LEU 91 2.080 -4.536 2.272 575 HD23 LEU 91 HD23 LEU 91 1.789 -3.635 3.762 576 H THR 92 H THR 92 7.455 -4.192 3.093 577 HA THR 92 HA THR 92 7.465 -5.171 0.315 578 HB THR 92 HB THR 92 9.675 -5.377 2.372 579 HG1 THR 92 HG1 THR 92 8.953 -3.337 0.782 580 HG21 THR 92 HG21 THR 92 9.696 -7.210 0.781 581 HG22 THR 92 HG22 THR 92 11.032 -6.106 0.443 582 HG23 THR 92 HG23 THR 92 9.585 -6.077 -0.568 583 H LEU 93 H LEU 93 6.173 -6.892 0.281 584 HA LEU 93 HA LEU 93 5.885 -8.454 2.690 585 HB2 LEU 93 HB2 LEU 93 4.058 -7.771 0.891 586 HB3 LEU 93 HB3 LEU 93 4.563 -9.294 0.167 587 HG LEU 93 HG LEU 93 4.142 -10.349 2.397 588 HD11 LEU 93 HD11 LEU 93 2.420 -8.818 3.665 589 HD12 LEU 93 HD12 LEU 93 3.389 -7.542 2.939 590 HD13 LEU 93 HD13 LEU 93 4.145 -8.742 3.992 591 HD21 LEU 93 HD21 LEU 93 1.670 -9.047 1.426 592 HD22 LEU 93 HD22 LEU 93 1.919 -10.698 1.981 593 HD23 LEU 93 HD23 LEU 93 2.525 -10.187 0.400 594 H THR 94 H THR 94 7.073 -10.138 3.153 595 HA THR 94 HA THR 94 8.724 -11.279 1.068 596 HB THR 94 HB THR 94 8.949 -11.268 4.078 597 HG1 THR 94 HG1 THR 94 9.492 -9.357 2.582 598 HG21 THR 94 HG21 THR 94 9.744 -13.329 3.106 599 HG22 THR 94 HG22 THR 94 11.080 -12.377 3.754 600 HG23 THR 94 HG23 THR 94 10.794 -12.437 2.011 601 H PHE 95 H PHE 95 8.192 -13.174 0.300 602 HA PHE 95 HA PHE 95 6.539 -14.990 1.926 603 HB2 PHE 95 HB2 PHE 95 6.745 -14.634 -1.065 604 HB3 PHE 95 HB3 PHE 95 5.983 -16.033 -0.329 605 HD1 PHE 95 HD2 PHE 95 3.972 -15.741 1.028 606 HD2 PHE 95 HD1 PHE 95 5.619 -12.550 -1.225 607 HE1 PHE 95 HE2 PHE 95 1.840 -14.549 1.200 608 HE2 PHE 95 HE1 PHE 95 3.485 -11.336 -1.059 609 HZ PHE 95 HZ PHE 95 1.594 -12.346 0.161 610 H ASN 96 H ASN 96 7.177 -17.098 2.151 611 HA ASN 96 HA ASN 96 9.916 -17.724 1.573 612 HB2 ASN 96 HB2 ASN 96 9.372 -19.969 2.523 613 HB3 ASN 96 HB3 ASN 96 8.996 -18.629 3.594 614 HD21 ASN 96 HD21 ASN 96 7.513 -19.669 4.785 615 HD22 ASN 96 HD22 ASN 96 5.974 -20.177 4.191 616 H SER 97 H SER 97 9.962 -20.325 0.711 617 HA SER 97 HA SER 97 9.773 -19.865 -2.060 618 HB2 SER 97 HB2 SER 97 10.217 -22.457 -0.576 619 HB3 SER 97 HB3 SER 97 10.556 -22.176 -2.284 620 HG SER 97 HG SER 97 12.109 -20.653 -1.695 621 H SER 98 H SER 98 7.483 -21.198 0.198 622 HA SER 98 HA SER 98 6.033 -22.618 -1.870 623 HB2 SER 98 HB2 SER 98 6.224 -23.482 0.473 624 HB3 SER 98 HB3 SER 98 5.231 -22.128 1.004 625 HG SER 98 HG SER 98 4.291 -23.774 -1.068 626 H GLY 99 H GLY 99 6.158 -19.460 -0.650 627 HA2 GLY 99 HA3 GLY 99 4.992 -17.656 -1.655 628 HA3 GLY 99 HA2 GLY 99 3.742 -18.784 -2.173 629 H VAL 100 H VAL 100 5.077 -18.722 1.014 630 HA VAL 100 HA VAL 100 2.459 -17.917 2.094 631 HB VAL 100 HB VAL 100 4.574 -19.479 3.549 632 HG11 VAL 100 HG11 VAL 100 2.652 -18.322 4.737 633 HG12 VAL 100 HG12 VAL 100 2.852 -20.046 5.057 634 HG13 VAL 100 HG13 VAL 100 1.594 -19.493 3.950 635 HG21 VAL 100 HG21 VAL 100 2.406 -20.511 1.740 636 HG22 VAL 100 HG22 VAL 100 3.201 -21.506 2.961 637 HG23 VAL 100 HG23 VAL 100 4.146 -20.813 1.637 638 H LEU 101 H LEU 101 2.397 -16.243 3.575 639 HA LEU 101 HA LEU 101 4.448 -14.368 3.620 640 HB2 LEU 101 HB2 LEU 101 1.903 -14.774 5.025 641 HB3 LEU 101 HB3 LEU 101 3.068 -13.754 5.846 642 HG LEU 101 HG LEU 101 2.007 -13.347 3.071 643 HD11 LEU 101 HD11 LEU 101 1.628 -11.789 5.607 644 HD12 LEU 101 HD12 LEU 101 0.407 -12.796 4.828 645 HD13 LEU 101 HD13 LEU 101 0.995 -11.339 4.025 646 HD21 LEU 101 HD21 LEU 101 3.904 -11.643 4.642 647 HD22 LEU 101 HD22 LEU 101 3.289 -11.313 3.025 648 HD23 LEU 101 HD23 LEU 101 4.366 -12.690 3.305 649 H THR 102 H THR 102 6.252 -14.269 4.607 650 HA THR 102 HA THR 102 6.644 -15.795 7.096 651 HB THR 102 HB THR 102 8.974 -15.923 6.600 652 HG1 THR 102 HG1 THR 102 9.743 -14.130 5.707 653 HG21 THR 102 HG21 THR 102 7.324 -17.287 5.196 654 HG22 THR 102 HG22 THR 102 8.983 -17.158 4.605 655 HG23 THR 102 HG23 THR 102 7.710 -16.159 3.897 656 H ASN 103 H ASN 103 7.100 -12.707 5.492 657 HA ASN 103 HA ASN 103 7.086 -11.413 8.108 658 HB2 ASN 103 HB2 ASN 103 9.498 -11.853 7.529 659 HB3 ASN 103 HB3 ASN 103 9.278 -10.807 6.131 660 HD21 ASN 103 HD21 ASN 103 10.767 -9.296 6.805 661 HD22 ASN 103 HD22 ASN 103 10.481 -8.245 8.152 662 H ILE 104 H ILE 104 6.461 -9.299 8.086 663 HA ILE 104 HA ILE 104 5.530 -8.202 5.508 664 HB ILE 104 HB ILE 104 4.649 -7.053 8.131 665 HG12 ILE 104 HG12 ILE 104 4.292 -9.549 8.287 666 HG13 ILE 104 HG13 ILE 104 2.837 -8.572 8.439 667 HG21 ILE 104 HG21 ILE 104 3.301 -7.370 5.453 668 HG22 ILE 104 HG22 ILE 104 4.062 -5.915 6.086 669 HG23 ILE 104 HG23 ILE 104 2.610 -6.556 6.858 670 HD11 ILE 104 HD11 ILE 104 2.447 -9.054 5.980 671 HD12 ILE 104 HD12 ILE 104 2.248 -10.398 7.106 672 HD13 ILE 104 HD13 ILE 104 3.717 -10.273 6.129 673 H ASP 105 H ASP 105 7.405 -7.117 4.887 674 HA ASP 105 HA ASP 105 9.015 -5.812 6.925 675 HB2 ASP 105 HB2 ASP 105 10.029 -7.222 5.127 676 HB3 ASP 105 HB3 ASP 105 9.517 -6.024 3.954 677 H ASN 106 H ASN 106 7.976 -3.952 7.522 678 HA ASN 106 HA ASN 106 7.412 -2.030 5.389 679 HB2 ASN 106 HB2 ASN 106 6.113 -0.856 7.305 680 HB3 ASN 106 HB3 ASN 106 5.407 -2.244 6.500 681 HD21 ASN 106 HD21 ASN 106 4.085 -2.739 8.190 682 HD22 ASN 106 HD22 ASN 106 4.650 -3.394 9.689 683 H LYS 107 H LYS 107 9.129 -0.866 5.051 684 HA LYS 107 HA LYS 107 10.170 0.750 7.241 685 HB2 LYS 107 HB2 LYS 107 12.426 0.208 6.908 686 HB3 LYS 107 HB1 LYS 107 11.623 -1.345 6.810 687 HG2 LYS 107 HG2 LYS 107 12.186 0.236 4.367 688 HG3 LYS 107 HG1 LYS 107 13.435 -0.776 5.087 689 HD2 LYS 107 HD2 LYS 107 11.847 -2.703 4.912 690 HD3 LYS 107 HD1 LYS 107 10.747 -1.649 4.020 691 HE2 LYS 107 HE2 LYS 107 12.376 -1.336 2.279 692 HE3 LYS 107 HE1 LYS 107 13.592 -2.218 3.199 693 HZ1 LYS 107 HZ1 LYS 107 11.150 -3.301 1.913 694 HZ2 LYS 107 HZ2 LYS 107 12.037 -4.173 3.064 695 HZ3 LYS 107 HZ3 LYS 107 12.767 -3.711 1.604 696 HA PRO 108 HA PRO 108 10.041 3.972 4.322 697 HB2 PRO 108 HB2 PRO 108 12.379 5.347 4.554 698 HB3 PRO 108 HB3 PRO 108 11.108 5.380 5.777 699 HG2 PRO 108 HG2 PRO 108 13.662 3.855 5.737 700 HG3 PRO 108 HG3 PRO 108 12.833 4.625 7.101 701 HD2 PRO 108 HD2 PRO 108 12.768 1.940 6.573 702 HD3 PRO 108 HD3 PRO 108 11.506 2.799 7.463 703 H ALA 109 H ALA 109 10.818 4.915 2.331 704 HA ALA 109 HA ALA 109 11.668 2.980 0.486 705 HB1 ALA 109 HB1 ALA 109 11.480 5.962 0.183 706 HB2 ALA 109 HB2 ALA 109 10.214 4.777 -0.139 707 HB3 ALA 109 HB3 ALA 109 11.666 4.805 -1.138 708 H LEU 110 H LEU 110 13.291 3.781 -1.212 709 HA LEU 110 HA LEU 110 15.665 2.730 -0.438 710 HB2 LEU 110 HB2 LEU 110 15.241 4.705 -2.667 711 HB3 LEU 110 HB3 LEU 110 16.543 3.541 -2.551 712 HG LEU 110 HG LEU 110 13.613 2.833 -2.789 713 HD11 LEU 110 HD11 LEU 110 15.777 2.481 -4.852 714 HD12 LEU 110 HD12 LEU 110 14.717 3.893 -4.823 715 HD13 LEU 110 HD13 LEU 110 14.036 2.282 -5.058 716 HD21 LEU 110 HD21 LEU 110 15.097 1.226 -1.567 717 HD22 LEU 110 HD22 LEU 110 16.037 1.074 -3.055 718 HD23 LEU 110 HD23 LEU 110 14.344 0.582 -3.027 719 H SER 111 H SER 111 14.821 6.096 -0.412 720 HA SER 111 HA SER 111 15.713 7.873 0.678 721 HB2 SER 111 HB2 SER 111 17.826 5.947 1.424 722 HB3 SER 111 HB3 SER 111 17.886 7.628 1.912 723 HG SER 111 HG SER 111 15.504 6.804 2.565 724 H GLY 112 H GLY 112 17.357 9.493 0.332 725 HA2 GLY 112 HA3 GLY 112 19.309 8.935 -1.765 726 HA3 GLY 112 HA2 GLY 112 18.097 10.165 -2.112 727 H ASN 113 H ASN 113 19.969 11.615 -2.284 728 HA ASN 113 HA ASN 113 20.726 12.578 0.387 729 HB2 ASN 113 HB2 ASN 113 22.905 13.206 -0.353 730 HB3 ASN 113 HB3 ASN 113 22.662 11.541 -0.855 731 HD21 ASN 113 HD21 ASN 113 22.359 11.085 -3.053 732 HD22 ASN 113 HD22 ASN 113 22.841 12.209 -4.284 Start of MODEL 15 1 H1 GLY 17 H1 GLY 17 -30.916 8.967 13.672 2 H2 GLY 17 H2 GLY 17 -29.830 9.020 14.972 3 H3 GLY 17 H3 GLY 17 -29.655 7.840 13.771 4 HA2 GLY 17 HA2 GLY 17 -28.016 9.548 13.440 5 HA3 GLY 17 HA3 GLY 17 -29.185 9.562 12.126 6 H SER 18 H SER 18 -28.458 11.762 11.773 7 HA SER 18 HA SER 18 -28.563 14.020 11.955 8 HB2 SER 18 HB2 SER 18 -31.025 13.446 11.856 9 HB3 SER 18 HB3 SER 18 -31.056 13.547 13.615 10 HG SER 18 HG SER 18 -31.453 15.583 13.243 11 H HIS 19 H HIS 19 -26.678 13.229 13.494 12 HA HIS 19 HA HIS 19 -26.969 13.580 16.280 13 HB2 HIS 19 HB2 HIS 19 -25.074 12.409 14.931 14 HB3 HIS 19 HB1 HIS 19 -24.365 14.017 14.837 15 HD1 HIS 19 HD1 HIS 19 -22.899 14.666 16.744 16 HD2 HIS 19 HD2 HIS 19 -25.448 11.525 17.712 17 HE1 HIS 19 HE1 HIS 19 -22.232 13.933 19.050 18 HE2 HIS 19 HE2 HIS 19 -23.601 11.865 19.483 19 H MET 20 H MET 20 -25.610 15.706 13.780 20 HA MET 20 HA MET 20 -26.569 17.998 15.315 21 HB2 MET 20 HB2 MET 20 -24.479 19.239 14.899 22 HB3 MET 20 HB3 MET 20 -24.214 17.829 15.912 23 HG2 MET 20 HG2 MET 20 -23.381 16.603 13.955 24 HG3 MET 20 HG3 MET 20 -23.603 18.049 12.974 25 HE1 MET 20 HE1 MET 20 -19.692 17.701 13.341 26 HE2 MET 20 HE2 MET 20 -21.029 17.849 12.201 27 HE3 MET 20 HE3 MET 20 -20.879 16.404 13.201 28 H SER 21 H SER 21 -26.827 16.333 12.651 29 HA SER 21 HA SER 21 -27.942 18.414 11.106 30 HB2 SER 21 HB2 SER 21 -25.583 18.900 10.583 31 HB3 SER 21 HB3 SER 21 -25.348 17.231 10.067 32 HG SER 21 HG SER 21 -25.904 19.077 8.472 33 H THR 22 H THR 22 -29.428 17.564 9.776 34 HA THR 22 HA THR 22 -29.702 14.672 9.697 35 HB THR 22 HB THR 22 -31.551 16.614 8.336 36 HG1 THR 22 HG1 THR 22 -31.278 16.116 11.129 37 HG21 THR 22 HG21 THR 22 -31.976 14.229 8.028 38 HG22 THR 22 HG22 THR 22 -33.250 14.959 9.006 39 HG23 THR 22 HG23 THR 22 -31.991 13.992 9.776 40 H LEU 23 H LEU 23 -28.676 17.290 7.706 41 HA LEU 23 HA LEU 23 -29.077 15.902 5.204 42 HB2 LEU 23 HB2 LEU 23 -27.686 18.509 5.811 43 HB3 LEU 23 HB3 LEU 23 -28.019 17.894 4.204 44 HG LEU 23 HG LEU 23 -30.106 18.655 6.247 45 HD11 LEU 23 HD11 LEU 23 -28.911 20.580 5.335 46 HD12 LEU 23 HD12 LEU 23 -30.576 20.517 4.755 47 HD13 LEU 23 HD13 LEU 23 -29.253 20.017 3.698 48 HD21 LEU 23 HD21 LEU 23 -31.692 18.329 4.414 49 HD22 LEU 23 HD22 LEU 23 -30.843 16.834 4.804 50 HD23 LEU 23 HD23 LEU 23 -30.381 17.763 3.380 51 H GLU 24 H GLU 24 -26.380 16.646 7.355 52 HA GLU 24 HA GLU 24 -24.379 15.811 5.492 53 HB2 GLU 24 HB2 GLU 24 -23.927 17.416 7.326 54 HB3 GLU 24 HB3 GLU 24 -24.161 16.121 8.493 55 HG2 GLU 24 HG2 GLU 24 -22.258 14.922 7.536 56 HG3 GLU 24 HG3 GLU 24 -22.025 16.226 6.373 57 H ARG 25 H ARG 25 -26.434 14.206 7.703 58 HA ARG 25 HA ARG 25 -26.776 12.034 8.258 59 HB2 ARG 25 HB2 ARG 25 -26.600 11.800 5.750 60 HB3 ARG 25 HB1 ARG 25 -24.910 11.378 5.969 61 HG2 ARG 25 HG2 ARG 25 -25.714 9.488 7.452 62 HG3 ARG 25 HG1 ARG 25 -27.335 9.837 6.844 63 HD2 ARG 25 HD2 ARG 25 -24.954 9.203 5.106 64 HD3 ARG 25 HD1 ARG 25 -26.156 8.020 5.617 65 HE ARG 25 HE ARG 25 -27.671 9.909 4.446 66 HH11 ARG 25 HH11 ARG 25 -24.737 8.320 3.392 67 HH12 ARG 25 HH12 ARG 25 -25.166 8.356 1.714 68 HH21 ARG 25 HH21 ARG 25 -28.245 9.945 2.242 69 HH22 ARG 25 HH22 ARG 25 -27.155 9.283 1.054 70 H VAL 26 H VAL 26 -24.489 13.562 9.349 71 HA VAL 26 HA VAL 26 -22.820 13.249 10.871 72 HB VAL 26 HB VAL 26 -23.259 10.283 10.432 73 HG11 VAL 26 HG11 VAL 26 -21.982 9.977 12.501 74 HG12 VAL 26 HG12 VAL 26 -21.658 11.709 12.555 75 HG13 VAL 26 HG13 VAL 26 -21.002 10.731 11.242 76 HG21 VAL 26 HG21 VAL 26 -25.199 11.404 11.403 77 HG22 VAL 26 HG22 VAL 26 -24.176 12.108 12.655 78 HG23 VAL 26 HG23 VAL 26 -24.415 10.362 12.591 79 H VAL 27 H VAL 27 -20.664 13.429 10.618 80 HA VAL 27 HA VAL 27 -19.647 13.574 8.041 81 HB VAL 27 HB VAL 27 -18.843 14.741 10.195 82 HG11 VAL 27 HG11 VAL 27 -18.310 12.760 11.489 83 HG12 VAL 27 HG12 VAL 27 -16.866 13.746 11.247 84 HG13 VAL 27 HG13 VAL 27 -17.107 12.282 10.289 85 HG21 VAL 27 HG21 VAL 27 -16.837 13.758 8.170 86 HG22 VAL 27 HG22 VAL 27 -16.624 15.144 9.238 87 HG23 VAL 27 HG23 VAL 27 -17.883 15.167 8.005 88 H TYR 28 H TYR 28 -17.949 12.479 7.010 89 HA TYR 28 HA TYR 28 -18.315 9.720 6.808 90 HB2 TYR 28 HB2 TYR 28 -16.587 11.758 5.638 91 HB3 TYR 28 HB3 TYR 28 -15.913 10.130 5.593 92 HD1 TYR 28 HD2 TYR 28 -19.213 11.699 5.085 93 HD2 TYR 28 HD1 TYR 28 -16.280 9.054 3.572 94 HE1 TYR 28 HE2 TYR 28 -20.640 11.275 3.116 95 HE2 TYR 28 HE1 TYR 28 -17.676 8.607 1.594 96 HH TYR 28 HH TYR 28 -20.393 10.521 0.803 97 H ARG 29 H ARG 29 -16.756 8.072 6.947 98 HA ARG 29 HA ARG 29 -15.234 7.986 9.385 99 HB2 ARG 29 HB2 ARG 29 -14.597 5.732 8.634 100 HB3 ARG 29 HB1 ARG 29 -16.331 5.978 8.488 101 HG2 ARG 29 HG2 ARG 29 -15.983 6.474 6.069 102 HG3 ARG 29 HG1 ARG 29 -14.295 6.002 6.272 103 HD2 ARG 29 HD2 ARG 29 -15.610 4.148 5.395 104 HD3 ARG 29 HD1 ARG 29 -15.011 3.777 7.011 105 HE ARG 29 HE ARG 29 -17.359 4.583 7.710 106 HH11 ARG 29 HH11 ARG 29 -16.611 2.816 4.780 107 HH12 ARG 29 HH12 ARG 29 -18.171 2.062 4.684 108 HH21 ARG 29 HH21 ARG 29 -19.413 3.611 7.578 109 HH22 ARG 29 HH22 ARG 29 -19.779 2.529 6.262 110 HA PRO 30 HA PRO 30 -11.005 9.044 8.196 111 HB2 PRO 30 HB2 PRO 30 -10.467 6.115 7.859 112 HB3 PRO 30 HB3 PRO 30 -9.495 7.351 8.653 113 HG2 PRO 30 HG2 PRO 30 -10.983 5.650 10.061 114 HG3 PRO 30 HG3 PRO 30 -10.756 7.331 10.564 115 HD2 PRO 30 HD2 PRO 30 -13.136 6.013 9.465 116 HD3 PRO 30 HD3 PRO 30 -13.014 7.476 10.451 117 H ASP 31 H ASP 31 -10.255 9.699 6.220 118 HA ASP 31 HA ASP 31 -10.962 8.162 3.860 119 HB2 ASP 31 HB2 ASP 31 -12.939 9.594 4.374 120 HB3 ASP 31 HB3 ASP 31 -11.887 10.995 4.218 121 H ILE 32 H ILE 32 -8.951 7.989 3.301 122 HA ILE 32 HA ILE 32 -6.989 9.985 3.059 123 HB ILE 32 HB ILE 32 -7.366 7.440 1.467 124 HG12 ILE 32 HG12 ILE 32 -7.129 7.160 3.916 125 HG13 ILE 32 HG13 ILE 32 -5.770 6.487 3.022 126 HG21 ILE 32 HG21 ILE 32 -4.884 7.673 1.112 127 HG22 ILE 32 HG22 ILE 32 -5.059 9.352 1.615 128 HG23 ILE 32 HG23 ILE 32 -5.909 8.764 0.181 129 HD11 ILE 32 HD11 ILE 32 -5.095 7.710 5.032 130 HD12 ILE 32 HD12 ILE 32 -5.779 9.180 4.350 131 HD13 ILE 32 HD13 ILE 32 -4.414 8.389 3.557 132 H ASN 33 H ASN 33 -6.415 11.298 1.326 133 HA ASN 33 HA ASN 33 -8.582 12.153 -0.341 134 HB2 ASN 33 HB2 ASN 33 -7.366 14.034 -0.659 135 HB3 ASN 33 HB3 ASN 33 -6.377 13.406 0.652 136 HD21 ASN 33 HD21 ASN 33 -4.356 12.545 0.187 137 HD22 ASN 33 HD22 ASN 33 -3.579 12.804 -1.337 138 H GLN 34 H GLN 34 -6.069 9.882 -0.627 139 HA GLN 34 HA GLN 34 -6.657 9.576 -3.483 140 HB2 GLN 34 HB2 GLN 34 -4.485 8.701 -3.870 141 HB3 GLN 34 HB3 GLN 34 -4.253 10.155 -2.919 142 HG2 GLN 34 HG2 GLN 34 -3.634 8.959 -1.017 143 HG3 GLN 34 HG3 GLN 34 -4.376 7.468 -1.616 144 HE21 GLN 34 HE21 GLN 34 -1.631 8.110 -0.732 145 HE22 GLN 34 HE22 GLN 34 -0.610 7.637 -2.037 146 H GLY 35 H GLY 35 -5.887 7.106 -4.021 147 HA2 GLY 35 HA3 GLY 35 -6.104 5.083 -2.159 148 HA3 GLY 35 HA2 GLY 35 -7.754 5.430 -2.668 149 H ASN 36 H ASN 36 -4.622 5.258 -4.337 150 HA ASN 36 HA ASN 36 -5.954 3.747 -6.467 151 HB2 ASN 36 HB2 ASN 36 -3.354 5.295 -6.524 152 HB3 ASN 36 HB3 ASN 36 -4.048 4.436 -7.889 153 HD21 ASN 36 HD21 ASN 36 -4.223 6.224 -9.135 154 HD22 ASN 36 HD22 ASN 36 -5.357 7.487 -8.818 155 H TYR 37 H TYR 37 -3.031 3.791 -4.482 156 HA TYR 37 HA TYR 37 -2.714 0.939 -5.048 157 HB2 TYR 37 HB2 TYR 37 -0.339 1.345 -4.194 158 HB3 TYR 37 HB3 TYR 37 -0.734 1.984 -5.779 159 HD1 TYR 37 HD2 TYR 37 -0.578 3.017 -2.194 160 HD2 TYR 37 HD1 TYR 37 -0.215 4.200 -6.259 161 HE1 TYR 37 HE2 TYR 37 0.210 5.229 -1.471 162 HE2 TYR 37 HE1 TYR 37 0.576 6.420 -5.550 163 HH TYR 37 HH TYR 37 1.626 7.085 -2.440 164 H LEU 38 H LEU 38 -1.093 0.283 -2.897 165 HA LEU 38 HA LEU 38 -3.101 0.111 -0.835 166 HB2 LEU 38 HB2 LEU 38 -1.599 -1.775 -1.512 167 HB3 LEU 38 HB3 LEU 38 -0.265 -0.918 -0.762 168 HG LEU 38 HG LEU 38 -1.986 -0.969 1.298 169 HD11 LEU 38 HD11 LEU 38 -3.747 -2.141 0.315 170 HD12 LEU 38 HD12 LEU 38 -2.906 -3.354 1.274 171 HD13 LEU 38 HD13 LEU 38 -2.669 -3.282 -0.474 172 HD21 LEU 38 HD21 LEU 38 -0.103 -3.176 0.493 173 HD22 LEU 38 HD22 LEU 38 -0.773 -2.951 2.109 174 HD23 LEU 38 HD23 LEU 38 0.297 -1.730 1.421 175 H THR 39 H THR 39 -2.828 0.762 1.331 176 HA THR 39 HA THR 39 -0.711 2.736 1.809 177 HB THR 39 HB THR 39 -2.173 4.143 3.049 178 HG1 THR 39 HG1 THR 39 -4.245 2.210 2.622 179 HG21 THR 39 HG21 THR 39 -2.353 3.963 0.434 180 HG22 THR 39 HG22 THR 39 -3.427 5.019 1.346 181 HG23 THR 39 HG23 THR 39 -3.998 3.440 0.801 182 H ALA 40 H ALA 40 -0.970 3.254 4.397 183 HA ALA 40 HA ALA 40 0.065 0.945 5.697 184 HB1 ALA 40 HB1 ALA 40 -0.896 3.549 6.881 185 HB2 ALA 40 HB2 ALA 40 0.743 3.206 6.328 186 HB3 ALA 40 HB3 ALA 40 0.080 2.337 7.712 187 H ASN 41 H ASN 41 -3.043 2.483 5.545 188 HA ASN 41 HA ASN 41 -4.284 1.259 7.766 189 HB2 ASN 41 HB2 ASN 41 -5.545 2.263 5.201 190 HB3 ASN 41 HB3 ASN 41 -6.351 2.040 6.742 191 HD21 ASN 41 HD21 ASN 41 -6.063 4.434 5.099 192 HD22 ASN 41 HD22 ASN 41 -5.263 5.606 6.095 193 H ASP 42 H ASP 42 -4.095 0.505 4.369 194 HA ASP 42 HA ASP 42 -5.696 -1.831 4.424 195 HB2 ASP 42 HB2 ASP 42 -3.540 -1.074 2.454 196 HB3 ASP 42 HB3 ASP 42 -4.791 -2.286 2.212 197 H VAL 43 H VAL 43 -2.306 -1.235 5.077 198 HA VAL 43 HA VAL 43 -1.347 -3.865 4.928 199 HB VAL 43 HB VAL 43 -0.470 -1.591 6.714 200 HG11 VAL 43 HG11 VAL 43 0.906 -4.226 6.232 201 HG12 VAL 43 HG12 VAL 43 0.121 -3.745 7.741 202 HG13 VAL 43 HG13 VAL 43 1.550 -2.876 7.174 203 HG21 VAL 43 HG21 VAL 43 0.997 -2.785 4.425 204 HG22 VAL 43 HG22 VAL 43 1.211 -1.197 5.158 205 HG23 VAL 43 HG23 VAL 43 -0.214 -1.531 4.166 206 H SER 44 H SER 44 -3.062 -2.173 7.481 207 HA SER 44 HA SER 44 -2.840 -4.036 9.538 208 HB2 SER 44 HB2 SER 44 -3.719 -1.766 9.785 209 HB3 SER 44 HB3 SER 44 -5.172 -2.226 8.907 210 HG SER 44 HG SER 44 -5.709 -3.624 10.579 211 H LYS 45 H LYS 45 -4.554 -4.220 6.593 212 HA LYS 45 HA LYS 45 -6.642 -5.978 7.442 213 HB2 LYS 45 HB2 LYS 45 -5.627 -5.332 4.691 214 HB3 LYS 45 HB1 LYS 45 -7.111 -6.202 5.050 215 HG2 LYS 45 HG2 LYS 45 -8.041 -4.257 6.127 216 HG3 LYS 45 HG1 LYS 45 -6.525 -3.378 5.906 217 HD2 LYS 45 HD2 LYS 45 -8.131 -2.722 4.204 218 HD3 LYS 45 HD1 LYS 45 -6.791 -3.603 3.465 219 HE2 LYS 45 HE2 LYS 45 -8.210 -5.673 3.669 220 HE3 LYS 45 HE1 LYS 45 -9.554 -4.613 4.083 221 HZ1 LYS 45 HZ1 LYS 45 -9.656 -5.057 1.760 222 HZ2 LYS 45 HZ2 LYS 45 -8.028 -4.642 1.536 223 HZ3 LYS 45 HZ3 LYS 45 -9.158 -3.444 1.943 224 H ILE 46 H ILE 46 -3.335 -6.446 6.560 225 HA ILE 46 HA ILE 46 -3.852 -9.273 6.078 226 HB ILE 46 HB ILE 46 -1.568 -9.406 5.210 227 HG12 ILE 46 HG12 ILE 46 -1.579 -6.387 5.426 228 HG13 ILE 46 HG13 ILE 46 -0.567 -7.493 6.354 229 HG21 ILE 46 HG21 ILE 46 -2.064 -8.454 3.079 230 HG22 ILE 46 HG22 ILE 46 -3.277 -7.393 3.802 231 HG23 ILE 46 HG23 ILE 46 -3.520 -9.142 3.796 232 HD11 ILE 46 HD11 ILE 46 -0.031 -8.232 3.780 233 HD12 ILE 46 HD12 ILE 46 0.955 -7.133 4.765 234 HD13 ILE 46 HD13 ILE 46 -0.248 -6.484 3.643 235 H ARG 47 H ARG 47 -1.784 -10.559 6.626 236 HA ARG 47 HA ARG 47 -0.424 -9.984 9.040 237 HB2 ARG 47 HB2 ARG 47 -1.515 -11.661 10.480 238 HB3 ARG 47 HB1 ARG 47 -2.631 -10.374 10.048 239 HG2 ARG 47 HG2 ARG 47 -2.581 -12.861 8.406 240 HG3 ARG 47 HG1 ARG 47 -3.373 -12.881 9.984 241 HD2 ARG 47 HD2 ARG 47 -3.996 -10.954 7.735 242 HD3 ARG 47 HD1 ARG 47 -4.942 -12.390 8.148 243 HE ARG 47 HE ARG 47 -4.552 -10.495 10.312 244 HH11 ARG 47 HH11 ARG 47 -6.628 -11.532 7.678 245 HH12 ARG 47 HH12 ARG 47 -8.064 -10.845 8.383 246 HH21 ARG 47 HH21 ARG 47 -6.413 -9.593 11.225 247 HH22 ARG 47 HH22 ARG 47 -7.943 -9.725 10.404 248 H VAL 48 H VAL 48 1.048 -11.604 9.590 249 HA VAL 48 HA VAL 48 1.934 -13.132 7.358 250 HB VAL 48 HB VAL 48 3.012 -13.707 10.037 251 HG11 VAL 48 HG11 VAL 48 4.282 -12.969 7.408 252 HG12 VAL 48 HG12 VAL 48 4.025 -14.613 7.999 253 HG13 VAL 48 HG13 VAL 48 5.138 -13.537 8.845 254 HG21 VAL 48 HG21 VAL 48 3.194 -11.014 8.735 255 HG22 VAL 48 HG22 VAL 48 4.298 -11.558 10.001 256 HG23 VAL 48 HG23 VAL 48 2.574 -11.386 10.343 257 H GLY 49 H GLY 49 1.905 -15.347 7.085 258 HA2 GLY 49 HA3 GLY 49 1.514 -17.547 8.156 259 HA3 GLY 49 HA2 GLY 49 0.130 -16.802 8.940 260 H MET 50 H MET 50 -0.629 -15.308 6.495 261 HA MET 50 HA MET 50 -1.945 -17.524 5.169 262 HB2 MET 50 HB2 MET 50 -3.176 -15.751 3.900 263 HB3 MET 50 HB3 MET 50 -3.468 -15.792 5.626 264 HG2 MET 50 HG2 MET 50 -2.003 -13.871 5.913 265 HG3 MET 50 HG3 MET 50 -1.659 -13.879 4.185 266 HE1 MET 50 HE1 MET 50 -3.641 -10.830 3.916 267 HE2 MET 50 HE2 MET 50 -2.104 -11.504 4.479 268 HE3 MET 50 HE3 MET 50 -3.326 -11.000 5.646 269 H THR 51 H THR 51 -2.325 -16.878 2.660 270 HA THR 51 HA THR 51 0.338 -17.446 1.653 271 HB THR 51 HB THR 51 -0.743 -18.465 -0.234 272 HG1 THR 51 HG1 THR 51 -3.164 -18.484 -0.126 273 HG21 THR 51 HG21 THR 51 -2.052 -19.073 2.378 274 HG22 THR 51 HG22 THR 51 -0.634 -19.859 1.682 275 HG23 THR 51 HG23 THR 51 -2.224 -20.082 0.946 276 H GLN 52 H GLN 52 0.331 -16.919 -0.890 277 HA GLN 52 HA GLN 52 0.496 -14.105 -1.174 278 HB2 GLN 52 HB2 GLN 52 0.351 -16.212 -3.337 279 HB3 GLN 52 HB3 GLN 52 0.885 -14.555 -3.551 280 HG2 GLN 52 HG2 GLN 52 2.721 -15.008 -1.940 281 HG3 GLN 52 HG3 GLN 52 2.237 -16.701 -1.945 282 HE21 GLN 52 HE21 GLN 52 3.714 -14.137 -3.731 283 HE22 GLN 52 HE22 GLN 52 4.358 -15.111 -5.002 284 H GLN 53 H GLN 53 -1.892 -16.527 -2.166 285 HA GLN 53 HA GLN 53 -3.462 -14.694 -3.683 286 HB2 GLN 53 HB2 GLN 53 -5.198 -16.397 -3.666 287 HB3 GLN 53 HB3 GLN 53 -3.641 -17.106 -4.036 288 HG2 GLN 53 HG2 GLN 53 -4.091 -18.627 -2.504 289 HG3 GLN 53 HG3 GLN 53 -3.885 -17.362 -1.295 290 HE21 GLN 53 HE21 GLN 53 -5.718 -16.374 -0.420 291 HE22 GLN 53 HE22 GLN 53 -7.287 -17.092 -0.529 292 H GLN 54 H GLN 54 -3.430 -15.718 -0.372 293 HA GLN 54 HA GLN 54 -5.779 -14.483 0.532 294 HB2 GLN 54 HB2 GLN 54 -3.167 -14.810 2.001 295 HB3 GLN 54 HB3 GLN 54 -4.724 -14.482 2.743 296 HG2 GLN 54 HG2 GLN 54 -4.630 -16.870 1.049 297 HG3 GLN 54 HG3 GLN 54 -3.614 -16.925 2.490 298 HE21 GLN 54 HE21 GLN 54 -4.746 -18.380 3.602 299 HE22 GLN 54 HE22 GLN 54 -6.353 -18.113 4.199 300 H VAL 55 H VAL 55 -2.427 -13.272 0.655 301 HA VAL 55 HA VAL 55 -3.114 -10.718 1.596 302 HB VAL 55 HB VAL 55 -0.662 -11.628 0.099 303 HG11 VAL 55 HG11 VAL 55 -1.035 -9.122 1.721 304 HG12 VAL 55 HG12 VAL 55 -1.078 -9.169 -0.041 305 HG13 VAL 55 HG13 VAL 55 0.407 -9.602 0.820 306 HG21 VAL 55 HG21 VAL 55 -0.913 -11.013 3.007 307 HG22 VAL 55 HG22 VAL 55 0.325 -11.963 2.174 308 HG23 VAL 55 HG23 VAL 55 -1.308 -12.618 2.372 309 H ALA 56 H ALA 56 -2.599 -11.922 -1.706 310 HA ALA 56 HA ALA 56 -2.680 -9.445 -3.018 311 HB1 ALA 56 HB1 ALA 56 -2.005 -11.130 -4.423 312 HB2 ALA 56 HB2 ALA 56 -3.679 -10.933 -4.929 313 HB3 ALA 56 HB3 ALA 56 -3.235 -12.250 -3.843 314 H TYR 57 H TYR 57 -5.209 -11.555 -1.853 315 HA TYR 57 HA TYR 57 -7.278 -10.042 -3.153 316 HB2 TYR 57 HB2 TYR 57 -7.170 -12.453 -1.412 317 HB3 TYR 57 HB3 TYR 57 -8.703 -11.598 -1.590 318 HD1 TYR 57 HD2 TYR 57 -6.112 -11.841 -4.227 319 HD2 TYR 57 HD1 TYR 57 -9.879 -13.282 -2.830 320 HE1 TYR 57 HE2 TYR 57 -6.495 -12.932 -6.379 321 HE2 TYR 57 HE1 TYR 57 -10.261 -14.379 -4.997 322 HH TYR 57 HH TYR 57 -9.304 -13.873 -7.519 323 H ALA 58 H ALA 58 -5.939 -10.321 0.098 324 HA ALA 58 HA ALA 58 -7.819 -8.659 1.417 325 HB1 ALA 58 HB1 ALA 58 -4.941 -9.121 2.192 326 HB2 ALA 58 HB2 ALA 58 -6.258 -10.262 2.510 327 HB3 ALA 58 HB3 ALA 58 -6.289 -8.661 3.245 328 H LEU 59 H LEU 59 -4.682 -8.110 -0.028 329 HA LEU 59 HA LEU 59 -4.604 -5.338 0.795 330 HB2 LEU 59 HB2 LEU 59 -2.763 -7.404 0.263 331 HB3 LEU 59 HB3 LEU 59 -2.461 -6.173 -0.941 332 HG LEU 59 HG LEU 59 -1.858 -4.586 0.670 333 HD11 LEU 59 HD11 LEU 59 -3.363 -6.382 2.525 334 HD12 LEU 59 HD12 LEU 59 -3.553 -4.632 2.264 335 HD13 LEU 59 HD13 LEU 59 -2.155 -5.261 3.157 336 HD21 LEU 59 HD21 LEU 59 -0.968 -7.269 1.665 337 HD22 LEU 59 HD22 LEU 59 -0.179 -5.730 2.022 338 HD23 LEU 59 HD23 LEU 59 -0.206 -6.349 0.368 339 H GLY 60 H GLY 60 -4.819 -7.222 -2.162 340 HA2 GLY 60 HA3 GLY 60 -5.932 -6.255 -4.109 341 HA3 GLY 60 HA2 GLY 60 -5.186 -4.718 -3.678 342 H THR 61 H THR 61 -4.989 -7.112 -5.826 343 HA THR 61 HA THR 61 -2.384 -8.013 -5.836 344 HB THR 61 HB THR 61 -2.763 -8.308 -8.337 345 HG1 THR 61 HG1 THR 61 -4.287 -6.818 -8.879 346 HG21 THR 61 HG21 THR 61 -3.308 -9.944 -6.455 347 HG22 THR 61 HG22 THR 61 -4.182 -10.172 -7.973 348 HG23 THR 61 HG23 THR 61 -4.980 -9.397 -6.604 349 HA PRO 62 HA PRO 62 0.123 -4.549 -6.467 350 HB2 PRO 62 HB2 PRO 62 2.036 -6.355 -7.802 351 HB3 PRO 62 HB3 PRO 62 2.206 -5.446 -6.298 352 HG2 PRO 62 HG2 PRO 62 1.909 -8.108 -6.299 353 HG3 PRO 62 HG3 PRO 62 1.193 -7.092 -5.034 354 HD2 PRO 62 HD2 PRO 62 -0.103 -8.337 -7.426 355 HD3 PRO 62 HD3 PRO 62 -0.707 -8.205 -5.762 356 H LEU 63 H LEU 63 1.397 -3.374 -8.039 357 HA LEU 63 HA LEU 63 -0.167 -2.747 -10.284 358 HB2 LEU 63 HB2 LEU 63 2.717 -1.995 -9.928 359 HB3 LEU 63 HB3 LEU 63 1.454 -1.091 -10.743 360 HG LEU 63 HG LEU 63 0.980 -1.604 -7.881 361 HD11 LEU 63 HD11 LEU 63 3.418 -1.231 -8.025 362 HD12 LEU 63 HD12 LEU 63 2.555 0.012 -7.107 363 HD13 LEU 63 HD13 LEU 63 3.095 0.345 -8.756 364 HD21 LEU 63 HD21 LEU 63 -0.499 -0.234 -9.280 365 HD22 LEU 63 HD22 LEU 63 0.838 0.871 -9.603 366 HD23 LEU 63 HD23 LEU 63 0.209 0.700 -7.963 367 H MET 64 H MET 64 2.560 -4.830 -9.863 368 HA MET 64 HA MET 64 3.250 -5.152 -12.593 369 HB2 MET 64 HB2 MET 64 4.323 -7.285 -11.809 370 HB3 MET 64 HB3 MET 64 4.834 -5.833 -10.965 371 HG2 MET 64 HG2 MET 64 3.101 -6.448 -9.208 372 HG3 MET 64 HG3 MET 64 3.042 -8.031 -9.979 373 HE1 MET 64 HE1 MET 64 4.333 -9.555 -7.683 374 HE2 MET 64 HE2 MET 64 3.290 -8.150 -7.446 375 HE3 MET 64 HE3 MET 64 4.838 -8.256 -6.597 376 H SER 65 H SER 65 0.431 -5.939 -11.074 377 HA SER 65 HA SER 65 -1.480 -6.771 -11.932 378 HB2 SER 65 HB2 SER 65 -0.534 -5.906 -14.108 379 HB3 SER 65 HB3 SER 65 0.045 -7.540 -14.420 380 HG SER 65 HG SER 65 -1.928 -8.185 -14.835 381 H ASP 66 H ASP 66 0.989 -8.549 -10.962 382 HA ASP 66 HA ASP 66 -0.639 -10.827 -10.550 383 HB2 ASP 66 HB2 ASP 66 0.013 -11.474 -12.764 384 HB3 ASP 66 HB3 ASP 66 1.713 -11.169 -12.412 385 HA PRO 67 HA PRO 67 2.132 -10.423 -7.103 386 HB2 PRO 67 HB2 PRO 67 0.587 -11.898 -5.436 387 HB3 PRO 67 HB3 PRO 67 0.209 -10.224 -5.856 388 HG2 PRO 67 HG2 PRO 67 -0.932 -12.761 -6.976 389 HG3 PRO 67 HG3 PRO 67 -1.777 -11.274 -6.496 390 HD2 PRO 67 HD2 PRO 67 -1.161 -11.839 -9.089 391 HD3 PRO 67 HD3 PRO 67 -1.226 -10.186 -8.448 392 H PHE 68 H PHE 68 1.047 -13.344 -8.683 393 HA PHE 68 HA PHE 68 2.398 -15.119 -6.867 394 HB2 PHE 68 HB2 PHE 68 0.592 -15.372 -9.189 395 HB3 PHE 68 HB3 PHE 68 1.705 -16.704 -8.925 396 HD1 PHE 68 HD2 PHE 68 -0.713 -14.583 -7.042 397 HD2 PHE 68 HD1 PHE 68 1.070 -18.416 -7.525 398 HE1 PHE 68 HE2 PHE 68 -2.213 -15.493 -5.322 399 HE2 PHE 68 HE1 PHE 68 -0.430 -19.332 -5.804 400 HZ PHE 68 HZ PHE 68 -2.073 -17.867 -4.700 401 H GLY 69 H GLY 69 3.530 -13.238 -9.360 402 HA2 GLY 69 HA3 GLY 69 5.266 -15.238 -10.548 403 HA3 GLY 69 HA2 GLY 69 5.180 -13.538 -10.984 404 H THR 70 H THR 70 5.428 -13.094 -7.908 405 HA THR 70 HA THR 70 8.369 -13.244 -7.915 406 HB THR 70 HB THR 70 7.457 -10.956 -8.466 407 HG1 THR 70 HG1 THR 70 9.316 -10.407 -7.601 408 HG21 THR 70 HG21 THR 70 5.491 -11.067 -7.036 409 HG22 THR 70 HG22 THR 70 6.491 -9.661 -6.654 410 HG23 THR 70 HG23 THR 70 6.535 -11.084 -5.611 411 H ASN 71 H ASN 71 9.219 -12.626 -5.692 412 HA ASN 71 HA ASN 71 7.608 -13.853 -3.550 413 HB2 ASN 71 HB2 ASN 71 10.585 -13.923 -4.057 414 HB3 ASN 71 HB3 ASN 71 9.904 -14.282 -2.476 415 HD21 ASN 71 HD21 ASN 71 8.962 -16.226 -2.117 416 HD22 ASN 71 HD22 ASN 71 8.920 -17.501 -3.284 417 H THR 72 H THR 72 8.619 -11.007 -4.750 418 HA THR 72 HA THR 72 8.812 -9.744 -2.101 419 HB THR 72 HB THR 72 10.236 -8.713 -4.550 420 HG1 THR 72 HG1 THR 72 10.937 -10.788 -2.831 421 HG21 THR 72 HG21 THR 72 9.815 -7.172 -2.682 422 HG22 THR 72 HG22 THR 72 11.534 -7.471 -2.936 423 HG23 THR 72 HG23 THR 72 10.685 -8.264 -1.609 424 H TRP 73 H TRP 73 6.990 -8.602 -1.835 425 HA TRP 73 HA TRP 73 5.725 -7.374 -4.191 426 HB2 TRP 73 HB2 TRP 73 4.616 -8.061 -1.462 427 HB3 TRP 73 HB3 TRP 73 3.707 -7.201 -2.699 428 HD1 TRP 73 HD TRP 73 5.670 -9.691 -4.483 429 HE1 TRP 73 HE1 TRP 73 4.297 -11.806 -4.983 430 HE3 TRP 73 HE3 TRP 73 1.734 -8.850 -1.338 431 HZ2 TRP 73 HZ2 TRP 73 1.868 -12.960 -4.143 432 HZ3 TRP 73 HZ3 TRP 73 -0.075 -10.508 -1.258 433 HH2 TRP 73 HH TRP 73 -0.008 -12.518 -2.631 434 H PHE 74 H PHE 74 5.369 -5.191 -4.316 435 HA PHE 74 HA PHE 74 6.593 -3.606 -2.150 436 HB2 PHE 74 HB2 PHE 74 6.340 -2.743 -5.033 437 HB3 PHE 74 HB3 PHE 74 7.292 -1.981 -3.760 438 HD1 PHE 74 HD2 PHE 74 9.129 -3.550 -2.686 439 HD2 PHE 74 HD1 PHE 74 7.396 -4.108 -6.532 440 HE1 PHE 74 HE2 PHE 74 11.080 -4.887 -3.370 441 HE2 PHE 74 HE1 PHE 74 9.340 -5.446 -7.220 442 HZ PHE 74 HZ PHE 74 11.188 -5.836 -5.640 443 H TYR 75 H TYR 75 5.059 -2.784 -0.939 444 HA TYR 75 HA TYR 75 2.910 -1.247 -2.251 445 HB2 TYR 75 HB2 TYR 75 2.738 -2.647 0.418 446 HB3 TYR 75 HB3 TYR 75 1.451 -1.763 -0.365 447 HD1 TYR 75 HD1 TYR 75 0.874 -2.679 -2.814 448 HD2 TYR 75 HD2 TYR 75 2.709 -4.904 0.307 449 HE1 TYR 75 HE1 TYR 75 0.098 -4.764 -3.863 450 HE2 TYR 75 HE2 TYR 75 1.944 -7.006 -0.736 451 HH TYR 75 HH TYR 75 0.121 -7.726 -2.274 452 H VAL 76 H VAL 76 2.052 0.435 -0.408 453 HA VAL 76 HA VAL 76 4.364 1.425 1.077 454 HB VAL 76 HB VAL 76 4.203 2.414 -1.312 455 HG11 VAL 76 HG11 VAL 76 2.081 4.050 0.050 456 HG12 VAL 76 HG12 VAL 76 1.851 2.949 -1.308 457 HG13 VAL 76 HG13 VAL 76 2.816 4.411 -1.514 458 HG21 VAL 76 HG21 VAL 76 5.170 4.485 -0.614 459 HG22 VAL 76 HG22 VAL 76 5.698 3.220 0.495 460 HG23 VAL 76 HG23 VAL 76 4.435 4.350 0.979 461 H PHE 77 H PHE 77 3.539 3.651 2.171 462 HA PHE 77 HA PHE 77 1.298 2.806 3.802 463 HB2 PHE 77 HB2 PHE 77 3.537 4.734 4.091 464 HB3 PHE 77 HB3 PHE 77 2.052 5.108 4.957 465 HD1 PHE 77 HD2 PHE 77 2.674 1.612 4.449 466 HD2 PHE 77 HD1 PHE 77 3.484 4.913 7.007 467 HE1 PHE 77 HE2 PHE 77 3.287 0.065 6.246 468 HE2 PHE 77 HE1 PHE 77 4.098 3.362 8.816 469 HZ PHE 77 HZ PHE 77 4.002 0.931 8.435 470 H ARG 78 H ARG 78 0.117 4.974 4.713 471 HA ARG 78 HA ARG 78 -1.772 5.894 2.954 472 HB2 ARG 78 HB2 ARG 78 -0.514 7.038 5.409 473 HB3 ARG 78 HB1 ARG 78 -1.633 8.030 4.495 474 HG2 ARG 78 HG2 ARG 78 -3.387 6.406 4.838 475 HG3 ARG 78 HG1 ARG 78 -2.262 5.347 5.700 476 HD2 ARG 78 HD2 ARG 78 -3.795 6.901 7.083 477 HD3 ARG 78 HD1 ARG 78 -2.088 6.803 7.513 478 HE ARG 78 HE ARG 78 -1.855 8.897 6.117 479 HH11 ARG 78 HH11 ARG 78 -4.776 8.142 7.936 480 HH12 ARG 78 HH12 ARG 78 -5.332 9.795 7.945 481 HH21 ARG 78 HH21 ARG 78 -2.557 11.050 6.203 482 HH22 ARG 78 HH22 ARG 78 -4.067 11.439 6.984 483 H GLN 79 H GLN 79 -2.052 8.169 2.087 484 HA GLN 79 HA GLN 79 0.056 9.046 0.497 485 HB2 GLN 79 HB2 GLN 79 -2.459 9.537 0.270 486 HB3 GLN 79 HB3 GLN 79 -2.160 10.836 1.407 487 HG2 GLN 79 HG2 GLN 79 -0.604 10.603 -1.142 488 HG3 GLN 79 HG3 GLN 79 -2.175 11.395 -1.084 489 HE21 GLN 79 HE21 GLN 79 1.180 11.613 -0.233 490 HE22 GLN 79 HE22 GLN 79 1.142 13.255 0.304 491 H GLN 80 H GLN 80 1.831 9.119 1.925 492 HA GLN 80 HA GLN 80 1.912 11.351 3.816 493 HB2 GLN 80 HB2 GLN 80 4.068 9.332 3.306 494 HB3 GLN 80 HB3 GLN 80 3.824 10.321 4.722 495 HG2 GLN 80 HG2 GLN 80 1.927 8.155 3.893 496 HG3 GLN 80 HG3 GLN 80 3.284 7.891 4.981 497 HE21 GLN 80 HE21 GLN 80 3.257 8.915 7.029 498 HE22 GLN 80 HE22 GLN 80 1.779 9.467 7.743 499 HA PRO 81 HA PRO 81 4.565 13.948 1.354 500 HB2 PRO 81 HB2 PRO 81 6.490 13.799 3.616 501 HB3 PRO 81 HB3 PRO 81 5.797 15.214 2.826 502 HG2 PRO 81 HG2 PRO 81 4.938 14.472 5.227 503 HG3 PRO 81 HG3 PRO 81 3.790 15.049 4.003 504 HD2 PRO 81 HD2 PRO 81 4.371 12.248 4.879 505 HD3 PRO 81 HD3 PRO 81 2.821 12.990 4.472 506 H GLY 82 H GLY 82 5.528 12.992 -0.334 507 HA2 GLY 82 HA3 GLY 82 7.908 11.323 0.184 508 HA3 GLY 82 HA2 GLY 82 6.955 11.281 -1.298 509 H HIS 83 H HIS 83 9.611 11.572 -1.618 510 HA HIS 83 HA HIS 83 11.160 12.843 -2.703 511 HB2 HIS 83 HB2 HIS 83 9.330 13.761 -4.060 512 HB3 HIS 83 HB1 HIS 83 8.985 14.955 -2.817 513 HD1 HIS 83 HD1 HIS 83 11.215 14.245 -5.698 514 HD2 HIS 83 HD2 HIS 83 10.878 17.098 -2.679 515 HE1 HIS 83 HE1 HIS 83 12.675 16.168 -6.407 516 HE2 HIS 83 HE2 HIS 83 12.483 17.875 -4.564 517 H GLU 84 H GLU 84 9.334 15.092 -0.626 518 HA GLU 84 HA GLU 84 11.877 15.801 0.677 519 HB2 GLU 84 HB2 GLU 84 11.141 17.679 -0.570 520 HB3 GLU 84 HB3 GLU 84 9.495 17.511 0.016 521 HG2 GLU 84 HG2 GLU 84 10.297 18.066 2.286 522 HG3 GLU 84 HG3 GLU 84 11.902 18.344 1.609 523 H GLY 85 H GLY 85 11.971 15.754 2.813 524 HA2 GLY 85 HA3 GLY 85 11.452 15.005 4.930 525 HA3 GLY 85 HA2 GLY 85 9.966 15.921 4.705 526 H VAL 86 H VAL 86 11.326 12.901 3.394 527 HA VAL 86 HA VAL 86 8.751 11.819 2.909 528 HB VAL 86 HB VAL 86 11.291 10.243 3.094 529 HG11 VAL 86 HG11 VAL 86 8.789 9.792 1.487 530 HG12 VAL 86 HG12 VAL 86 9.241 8.923 2.951 531 HG13 VAL 86 HG13 VAL 86 10.216 8.755 1.491 532 HG21 VAL 86 HG21 VAL 86 10.210 11.823 0.777 533 HG22 VAL 86 HG22 VAL 86 11.522 10.650 0.660 534 HG23 VAL 86 HG23 VAL 86 11.726 12.108 1.633 535 H THR 87 H THR 87 7.505 10.602 4.066 536 HA THR 87 HA THR 87 8.586 9.187 6.395 537 HB THR 87 HB THR 87 7.365 11.188 7.213 538 HG1 THR 87 HG1 THR 87 6.956 8.642 7.947 539 HG21 THR 87 HG21 THR 87 5.002 9.907 5.856 540 HG22 THR 87 HG22 THR 87 5.750 11.446 5.432 541 HG23 THR 87 HG23 THR 87 4.913 11.270 6.975 542 H GLN 88 H GLN 88 7.308 8.920 3.454 543 HA GLN 88 HA GLN 88 5.327 6.951 3.722 544 HB2 GLN 88 HB2 GLN 88 7.191 7.809 1.552 545 HB3 GLN 88 HB3 GLN 88 6.279 6.328 1.370 546 HG2 GLN 88 HG2 GLN 88 4.851 8.773 2.161 547 HG3 GLN 88 HG3 GLN 88 5.376 8.611 0.492 548 HE21 GLN 88 HE21 GLN 88 4.321 6.034 2.559 549 HE22 GLN 88 HE22 GLN 88 2.882 5.672 1.683 550 H GLN 89 H GLN 89 5.488 4.943 4.261 551 HA GLN 89 HA GLN 89 8.117 3.670 4.198 552 HB2 GLN 89 HB2 GLN 89 5.771 3.134 6.012 553 HB3 GLN 89 HB3 GLN 89 7.200 2.110 5.933 554 HG2 GLN 89 HG2 GLN 89 8.585 4.028 6.584 555 HG3 GLN 89 HG3 GLN 89 7.131 5.012 6.720 556 HE21 GLN 89 HE21 GLN 89 7.547 5.408 8.883 557 HE22 GLN 89 HE22 GLN 89 7.283 4.209 10.109 558 H THR 90 H THR 90 8.407 1.935 3.006 559 HA THR 90 HA THR 90 6.193 1.053 1.344 560 HB THR 90 HB THR 90 8.207 -0.338 0.352 561 HG1 THR 90 HG1 THR 90 9.525 0.690 2.197 562 HG21 THR 90 HG21 THR 90 7.660 2.548 -0.041 563 HG22 THR 90 HG22 THR 90 7.054 1.197 -0.987 564 HG23 THR 90 HG23 THR 90 8.758 1.654 -1.079 565 H LEU 91 H LEU 91 5.197 -0.820 1.565 566 HA LEU 91 HA LEU 91 6.086 -2.683 3.623 567 HB2 LEU 91 HB2 LEU 91 3.664 -1.991 3.400 568 HB3 LEU 91 HB3 LEU 91 3.631 -2.856 1.881 569 HG LEU 91 HG LEU 91 4.441 -4.880 3.256 570 HD11 LEU 91 HD11 LEU 91 3.438 -4.749 5.591 571 HD12 LEU 91 HD12 LEU 91 3.501 -2.992 5.379 572 HD13 LEU 91 HD13 LEU 91 4.986 -3.942 5.313 573 HD21 LEU 91 HD21 LEU 91 2.164 -5.505 3.880 574 HD22 LEU 91 HD22 LEU 91 2.258 -4.836 2.239 575 HD23 LEU 91 HD23 LEU 91 1.633 -3.845 3.563 576 H THR 92 H THR 92 7.584 -4.070 2.968 577 HA THR 92 HA THR 92 7.473 -5.075 0.206 578 HB THR 92 HB THR 92 9.764 -5.327 2.164 579 HG1 THR 92 HG1 THR 92 8.889 -3.147 0.905 580 HG21 THR 92 HG21 THR 92 9.708 -6.936 0.292 581 HG22 THR 92 HG22 THR 92 11.080 -5.833 0.195 582 HG23 THR 92 HG23 THR 92 9.675 -5.581 -0.841 583 H LEU 93 H LEU 93 6.275 -6.890 0.151 584 HA LEU 93 HA LEU 93 6.171 -8.509 2.561 585 HB2 LEU 93 HB2 LEU 93 4.164 -7.801 0.950 586 HB3 LEU 93 HB3 LEU 93 4.619 -9.309 0.163 587 HG LEU 93 HG LEU 93 4.381 -10.433 2.365 588 HD11 LEU 93 HD11 LEU 93 2.845 -8.902 3.880 589 HD12 LEU 93 HD12 LEU 93 3.821 -7.641 3.142 590 HD13 LEU 93 HD13 LEU 93 4.592 -8.946 4.049 591 HD21 LEU 93 HD21 LEU 93 1.829 -9.053 1.822 592 HD22 LEU 93 HD22 LEU 93 2.144 -10.753 2.140 593 HD23 LEU 93 HD23 LEU 93 2.536 -10.057 0.564 594 H THR 94 H THR 94 7.137 -10.401 2.832 595 HA THR 94 HA THR 94 8.619 -11.475 0.559 596 HB THR 94 HB THR 94 9.278 -11.294 3.492 597 HG1 THR 94 HG1 THR 94 9.937 -9.875 1.280 598 HG21 THR 94 HG21 THR 94 9.860 -13.482 2.721 599 HG22 THR 94 HG22 THR 94 11.325 -12.531 2.977 600 HG23 THR 94 HG23 THR 94 10.722 -12.813 1.339 601 H PHE 95 H PHE 95 8.064 -13.436 -0.057 602 HA PHE 95 HA PHE 95 6.629 -15.199 1.820 603 HB2 PHE 95 HB2 PHE 95 6.473 -15.035 -1.196 604 HB3 PHE 95 HB3 PHE 95 5.752 -16.335 -0.255 605 HD1 PHE 95 HD1 PHE 95 5.575 -12.760 -1.077 606 HD2 PHE 95 HD2 PHE 95 3.774 -16.000 0.987 607 HE1 PHE 95 HE1 PHE 95 3.529 -11.430 -0.763 608 HE2 PHE 95 HE2 PHE 95 1.732 -14.691 1.305 609 HZ PHE 95 HZ PHE 95 1.608 -12.405 0.435 610 H ASN 96 H ASN 96 7.353 -17.258 2.128 611 HA ASN 96 HA ASN 96 10.090 -17.693 1.818 612 HB2 ASN 96 HB2 ASN 96 9.487 -20.140 2.403 613 HB3 ASN 96 HB3 ASN 96 9.177 -18.881 3.575 614 HD21 ASN 96 HD21 ASN 96 7.630 -19.969 4.662 615 HD22 ASN 96 HD22 ASN 96 6.067 -20.313 4.012 616 H SER 97 H SER 97 7.863 -20.076 0.457 617 HA SER 97 HA SER 97 9.007 -19.799 -2.172 618 HB2 SER 97 HB2 SER 97 10.714 -21.173 -1.007 619 HB3 SER 97 HB3 SER 97 9.470 -22.360 -0.618 620 HG SER 97 HG SER 97 10.738 -21.821 -3.039 621 H SER 98 H SER 98 6.901 -21.514 0.091 622 HA SER 98 HA SER 98 5.378 -22.781 -1.966 623 HB2 SER 98 HB2 SER 98 4.714 -22.332 0.950 624 HB3 SER 98 HB3 SER 98 4.001 -23.518 -0.128 625 HG SER 98 HG SER 98 6.048 -24.512 -0.303 626 H GLY 99 H GLY 99 5.608 -19.663 -0.864 627 HA2 GLY 99 HA3 GLY 99 4.340 -17.841 -1.646 628 HA3 GLY 99 HA2 GLY 99 3.026 -18.947 -2.023 629 H VAL 100 H VAL 100 4.763 -18.910 0.985 630 HA VAL 100 HA VAL 100 2.294 -18.106 2.368 631 HB VAL 100 HB VAL 100 4.575 -19.725 3.502 632 HG11 VAL 100 HG11 VAL 100 1.740 -19.334 4.452 633 HG12 VAL 100 HG12 VAL 100 3.177 -18.589 5.151 634 HG13 VAL 100 HG13 VAL 100 2.961 -20.338 5.231 635 HG21 VAL 100 HG21 VAL 100 2.030 -20.683 2.207 636 HG22 VAL 100 HG22 VAL 100 3.067 -21.694 3.216 637 HG23 VAL 100 HG23 VAL 100 3.691 -21.025 1.706 638 H LEU 101 H LEU 101 2.379 -16.379 3.718 639 HA LEU 101 HA LEU 101 4.495 -14.561 3.564 640 HB2 LEU 101 HB2 LEU 101 1.954 -14.798 4.983 641 HB3 LEU 101 HB3 LEU 101 3.165 -13.863 5.842 642 HG LEU 101 HG LEU 101 2.138 -13.339 3.071 643 HD11 LEU 101 HD11 LEU 101 1.924 -11.772 5.625 644 HD12 LEU 101 HD12 LEU 101 0.617 -12.693 4.878 645 HD13 LEU 101 HD13 LEU 101 1.288 -11.281 4.057 646 HD21 LEU 101 HD21 LEU 101 4.191 -11.841 4.652 647 HD22 LEU 101 HD22 LEU 101 3.575 -11.401 3.061 648 HD23 LEU 101 HD23 LEU 101 4.535 -12.874 3.268 649 H THR 102 H THR 102 6.331 -14.460 4.517 650 HA THR 102 HA THR 102 6.701 -15.837 7.091 651 HB THR 102 HB THR 102 8.997 -16.134 6.600 652 HG1 THR 102 HG1 THR 102 9.705 -14.233 5.759 653 HG21 THR 102 HG21 THR 102 7.311 -17.455 5.213 654 HG22 THR 102 HG22 THR 102 8.978 -17.422 4.630 655 HG23 THR 102 HG23 THR 102 7.758 -16.386 3.884 656 H ASN 103 H ASN 103 7.365 -12.882 5.270 657 HA ASN 103 HA ASN 103 7.600 -11.468 7.848 658 HB2 ASN 103 HB2 ASN 103 9.431 -11.000 5.493 659 HB3 ASN 103 HB3 ASN 103 9.377 -10.024 6.941 660 HD21 ASN 103 HD21 ASN 103 11.402 -10.324 7.594 661 HD22 ASN 103 HD22 ASN 103 12.046 -11.842 8.113 662 H ILE 104 H ILE 104 6.968 -9.376 7.871 663 HA ILE 104 HA ILE 104 5.820 -8.226 5.405 664 HB ILE 104 HB ILE 104 5.175 -7.121 8.117 665 HG12 ILE 104 HG12 ILE 104 4.694 -9.596 8.211 666 HG13 ILE 104 HG13 ILE 104 3.305 -8.554 8.489 667 HG21 ILE 104 HG21 ILE 104 3.675 -7.211 5.498 668 HG22 ILE 104 HG22 ILE 104 4.503 -5.833 6.216 669 HG23 ILE 104 HG23 ILE 104 3.063 -6.494 6.988 670 HD11 ILE 104 HD11 ILE 104 2.718 -8.926 6.063 671 HD12 ILE 104 HD12 ILE 104 2.557 -10.314 7.142 672 HD13 ILE 104 HD13 ILE 104 3.954 -10.189 6.065 673 H ASP 105 H ASP 105 7.679 -7.170 4.673 674 HA ASP 105 HA ASP 105 9.475 -5.982 6.630 675 HB2 ASP 105 HB2 ASP 105 10.125 -7.382 4.570 676 HB3 ASP 105 HB3 ASP 105 9.815 -5.930 3.645 677 H ASN 106 H ASN 106 8.524 -4.133 7.366 678 HA ASN 106 HA ASN 106 7.764 -2.145 5.370 679 HB2 ASN 106 HB2 ASN 106 6.326 -1.173 7.134 680 HB3 ASN 106 HB3 ASN 106 5.860 -2.791 6.665 681 HD21 ASN 106 HD21 ASN 106 5.196 -1.351 9.059 682 HD22 ASN 106 HD22 ASN 106 5.786 -2.287 10.384 683 H LYS 107 H LYS 107 9.254 -0.745 5.083 684 HA LYS 107 HA LYS 107 10.295 0.769 7.333 685 HB2 LYS 107 HB2 LYS 107 12.584 0.487 6.790 686 HB3 LYS 107 HB1 LYS 107 11.900 -1.124 6.738 687 HG2 LYS 107 HG2 LYS 107 12.191 0.528 4.290 688 HG3 LYS 107 HG1 LYS 107 13.507 -0.482 4.888 689 HD2 LYS 107 HD2 LYS 107 11.796 -2.389 4.869 690 HD3 LYS 107 HD1 LYS 107 10.792 -1.319 3.891 691 HE2 LYS 107 HE2 LYS 107 12.451 -1.227 2.170 692 HE3 LYS 107 HE1 LYS 107 13.622 -2.079 3.179 693 HZ1 LYS 107 HZ1 LYS 107 12.755 -3.680 1.716 694 HZ2 LYS 107 HZ2 LYS 107 11.159 -3.164 1.936 695 HZ3 LYS 107 HZ3 LYS 107 11.970 -3.966 3.190 696 HA PRO 108 HA PRO 108 9.665 4.210 4.809 697 HB2 PRO 108 HB2 PRO 108 12.018 5.620 4.634 698 HB3 PRO 108 HB3 PRO 108 10.936 5.636 6.025 699 HG2 PRO 108 HG2 PRO 108 13.494 4.190 5.626 700 HG3 PRO 108 HG3 PRO 108 12.798 4.861 7.109 701 HD2 PRO 108 HD2 PRO 108 12.797 2.202 6.463 702 HD3 PRO 108 HD3 PRO 108 11.626 2.951 7.549 703 H ALA 109 H ALA 109 9.689 5.072 2.768 704 HA ALA 109 HA ALA 109 10.614 3.362 0.702 705 HB1 ALA 109 HB1 ALA 109 9.475 6.136 0.500 706 HB2 ALA 109 HB2 ALA 109 8.563 4.623 0.499 707 HB3 ALA 109 HB3 ALA 109 9.684 4.974 -0.818 708 H LEU 110 H LEU 110 12.282 3.441 -0.517 709 HA LEU 110 HA LEU 110 14.547 3.719 -0.845 710 HB2 LEU 110 HB2 LEU 110 13.482 6.410 -1.686 711 HB3 LEU 110 HB3 LEU 110 14.923 5.612 -2.293 712 HG LEU 110 HG LEU 110 12.143 4.485 -2.606 713 HD11 LEU 110 HD11 LEU 110 12.450 5.184 -5.000 714 HD12 LEU 110 HD12 LEU 110 13.776 6.211 -4.451 715 HD13 LEU 110 HD13 LEU 110 12.137 6.489 -3.856 716 HD21 LEU 110 HD21 LEU 110 13.814 2.783 -2.757 717 HD22 LEU 110 HD22 LEU 110 14.808 3.781 -3.819 718 HD23 LEU 110 HD23 LEU 110 13.260 3.159 -4.391 719 H SER 111 H SER 111 14.216 7.138 -0.335 720 HA SER 111 HA SER 111 15.282 8.629 0.980 721 HB2 SER 111 HB2 SER 111 15.095 8.254 3.412 722 HB3 SER 111 HB3 SER 111 13.594 7.889 2.564 723 HG SER 111 HG SER 111 14.773 5.624 2.592 724 H GLY 112 H GLY 112 17.025 6.729 -0.330 725 HA2 GLY 112 HA3 GLY 112 19.393 7.079 -0.340 726 HA3 GLY 112 HA2 GLY 112 19.353 7.175 1.408 727 H ASN 113 H ASN 113 20.211 5.333 -1.109 728 HA ASN 113 HA ASN 113 20.512 2.973 0.577 729 HB2 ASN 113 HB2 ASN 113 19.024 3.042 -2.019 730 HB3 ASN 113 HB3 ASN 113 20.007 1.630 -1.652 731 HD21 ASN 113 HD21 ASN 113 17.191 3.467 -0.793 732 HD22 ASN 113 HD22 ASN 113 16.495 2.285 0.270 Start of MODEL 16 1 H1 GLY 17 H1 GLY 17 1.781 22.738 13.111 2 H2 GLY 17 H2 GLY 17 1.490 24.342 13.578 3 H3 GLY 17 H3 GLY 17 1.640 23.952 11.935 4 HA2 GLY 17 HA2 GLY 17 -0.367 22.622 12.038 5 HA3 GLY 17 HA3 GLY 17 -0.515 23.014 13.744 6 H SER 18 H SER 18 -2.596 23.857 13.260 7 HA SER 18 HA SER 18 -4.046 25.575 13.069 8 HB2 SER 18 HB2 SER 18 -2.262 26.961 14.092 9 HB3 SER 18 HB3 SER 18 -1.639 27.319 12.482 10 HG SER 18 HG SER 18 -3.832 28.150 12.055 11 H HIS 19 H HIS 19 -2.958 23.959 10.737 12 HA HIS 19 HA HIS 19 -4.674 25.157 8.803 13 HB2 HIS 19 HB2 HIS 19 -3.076 25.491 6.988 14 HB3 HIS 19 HB1 HIS 19 -2.659 26.517 8.353 15 HD1 HIS 19 HD1 HIS 19 -1.173 24.270 5.971 16 HD2 HIS 19 HD2 HIS 19 -0.446 25.286 9.943 17 HE1 HIS 19 HE1 HIS 19 1.184 23.528 6.447 18 HE2 HIS 19 HE2 HIS 19 1.546 24.023 8.893 19 H MET 20 H MET 20 -5.759 23.437 8.165 20 HA MET 20 HA MET 20 -4.348 20.855 8.030 21 HB2 MET 20 HB2 MET 20 -6.537 19.795 8.259 22 HB3 MET 20 HB3 MET 20 -6.257 20.921 9.579 23 HG2 MET 20 HG2 MET 20 -7.867 21.607 7.134 24 HG3 MET 20 HG3 MET 20 -8.569 20.924 8.599 25 HE1 MET 20 HE1 MET 20 -7.860 23.723 11.233 26 HE2 MET 20 HE2 MET 20 -6.912 22.277 10.887 27 HE3 MET 20 HE3 MET 20 -8.673 22.186 10.926 28 H SER 21 H SER 21 -4.972 23.219 6.036 29 HA SER 21 HA SER 21 -5.519 23.571 3.881 30 HB2 SER 21 HB2 SER 21 -4.537 21.893 2.274 31 HB3 SER 21 HB3 SER 21 -3.420 22.534 3.475 32 HG SER 21 HG SER 21 -4.136 19.978 3.001 33 H THR 22 H THR 22 -5.925 20.207 3.115 34 HA THR 22 HA THR 22 -7.705 19.000 2.381 35 HB THR 22 HB THR 22 -9.544 20.680 4.087 36 HG1 THR 22 HG1 THR 22 -7.372 19.903 5.078 37 HG21 THR 22 HG21 THR 22 -10.519 18.833 2.785 38 HG22 THR 22 HG22 THR 22 -10.617 18.522 4.519 39 HG23 THR 22 HG23 THR 22 -9.393 17.708 3.544 40 H LEU 23 H LEU 23 -10.328 19.644 1.762 41 HA LEU 23 HA LEU 23 -10.343 22.111 0.233 42 HB2 LEU 23 HB2 LEU 23 -9.512 19.886 -1.057 43 HB3 LEU 23 HB3 LEU 23 -11.243 19.716 -1.267 44 HG LEU 23 HG LEU 23 -9.595 22.091 -2.150 45 HD11 LEU 23 HD11 LEU 23 -10.077 21.278 -4.415 46 HD12 LEU 23 HD12 LEU 23 -10.850 19.850 -3.726 47 HD13 LEU 23 HD13 LEU 23 -9.125 20.124 -3.480 48 HD21 LEU 23 HD21 LEU 23 -11.877 22.727 -1.555 49 HD22 LEU 23 HD22 LEU 23 -12.510 21.458 -2.603 50 HD23 LEU 23 HD23 LEU 23 -11.625 22.817 -3.299 51 H GLU 24 H GLU 24 -11.958 22.759 1.661 52 HA GLU 24 HA GLU 24 -14.316 21.109 2.031 53 HB2 GLU 24 HB2 GLU 24 -13.714 23.918 2.974 54 HB3 GLU 24 HB3 GLU 24 -15.090 22.946 3.473 55 HG2 GLU 24 HG2 GLU 24 -13.561 21.309 4.461 56 HG3 GLU 24 HG3 GLU 24 -12.196 22.322 3.990 57 H ARG 25 H ARG 25 -14.450 21.236 -0.432 58 HA ARG 25 HA ARG 25 -15.383 23.635 -1.648 59 HB2 ARG 25 HB2 ARG 25 -14.219 21.912 -2.915 60 HB3 ARG 25 HB1 ARG 25 -15.499 20.762 -2.571 61 HG2 ARG 25 HG2 ARG 25 -17.063 22.110 -3.872 62 HG3 ARG 25 HG1 ARG 25 -15.772 23.269 -4.214 63 HD2 ARG 25 HD2 ARG 25 -14.496 21.565 -5.355 64 HD3 ARG 25 HD1 ARG 25 -15.700 20.346 -4.943 65 HE ARG 25 HE ARG 25 -16.882 22.476 -6.394 66 HH11 ARG 25 HH11 ARG 25 -14.824 19.672 -6.779 67 HH12 ARG 25 HH12 ARG 25 -15.276 19.400 -8.433 68 HH21 ARG 25 HH21 ARG 25 -17.487 22.130 -8.561 69 HH22 ARG 25 HH22 ARG 25 -16.811 20.794 -9.449 70 H VAL 26 H VAL 26 -17.067 20.532 -1.132 71 HA VAL 26 HA VAL 26 -19.588 22.053 -0.980 72 HB VAL 26 HB VAL 26 -19.221 19.221 -1.981 73 HG11 VAL 26 HG11 VAL 26 -21.375 19.565 -0.889 74 HG12 VAL 26 HG12 VAL 26 -21.572 19.366 -2.630 75 HG13 VAL 26 HG13 VAL 26 -21.676 20.972 -1.910 76 HG21 VAL 26 HG21 VAL 26 -18.323 20.840 -3.559 77 HG22 VAL 26 HG22 VAL 26 -19.828 21.759 -3.497 78 HG23 VAL 26 HG23 VAL 26 -19.813 20.133 -4.180 79 H VAL 27 H VAL 27 -18.144 18.948 0.024 80 HA VAL 27 HA VAL 27 -19.297 19.290 2.661 81 HB VAL 27 HB VAL 27 -20.832 17.964 1.037 82 HG11 VAL 27 HG11 VAL 27 -19.171 16.518 0.077 83 HG12 VAL 27 HG12 VAL 27 -20.373 15.555 0.935 84 HG13 VAL 27 HG13 VAL 27 -18.790 15.843 1.663 85 HG21 VAL 27 HG21 VAL 27 -20.169 16.627 3.651 86 HG22 VAL 27 HG22 VAL 27 -21.714 16.650 2.806 87 HG23 VAL 27 HG23 VAL 27 -21.078 18.131 3.517 88 H TYR 28 H TYR 28 -18.562 17.173 3.987 89 HA TYR 28 HA TYR 28 -15.861 17.092 4.342 90 HB2 TYR 28 HB2 TYR 28 -17.871 14.872 4.751 91 HB3 TYR 28 HB3 TYR 28 -16.245 14.877 5.415 92 HD1 TYR 28 HD2 TYR 28 -15.634 16.484 7.182 93 HD2 TYR 28 HD1 TYR 28 -19.617 16.195 5.726 94 HE1 TYR 28 HE2 TYR 28 -16.438 17.699 9.164 95 HE2 TYR 28 HE1 TYR 28 -20.434 17.408 7.701 96 HH TYR 28 HH TYR 28 -18.322 18.996 9.908 97 H ARG 29 H ARG 29 -14.282 15.396 3.923 98 HA ARG 29 HA ARG 29 -14.610 14.258 1.218 99 HB2 ARG 29 HB2 ARG 29 -11.946 14.923 2.475 100 HB3 ARG 29 HB1 ARG 29 -12.307 14.637 0.780 101 HG2 ARG 29 HG2 ARG 29 -12.960 17.065 2.422 102 HG3 ARG 29 HG1 ARG 29 -11.882 16.954 1.034 103 HD2 ARG 29 HD2 ARG 29 -14.876 16.576 0.984 104 HD3 ARG 29 HD1 ARG 29 -14.017 18.024 0.467 105 HE ARG 29 HE ARG 29 -12.926 16.413 -1.213 106 HH11 ARG 29 HH11 ARG 29 -16.177 16.007 0.047 107 HH12 ARG 29 HH12 ARG 29 -16.818 15.375 -1.444 108 HH21 ARG 29 HH21 ARG 29 -13.762 15.585 -3.173 109 HH22 ARG 29 HH22 ARG 29 -15.436 15.125 -3.268 110 HA PRO 30 HA PRO 30 -13.465 10.091 2.592 111 HB2 PRO 30 HB2 PRO 30 -10.800 10.550 1.322 112 HB3 PRO 30 HB3 PRO 30 -11.888 9.171 1.190 113 HG2 PRO 30 HG2 PRO 30 -11.711 10.956 -0.768 114 HG3 PRO 30 HG3 PRO 30 -13.254 10.201 -0.336 115 HD2 PRO 30 HD2 PRO 30 -12.299 12.945 0.162 116 HD3 PRO 30 HD3 PRO 30 -13.946 12.339 -0.045 117 H ASP 31 H ASP 31 -12.247 9.060 4.212 118 HA ASP 31 HA ASP 31 -11.199 10.787 6.187 119 HB2 ASP 31 HB2 ASP 31 -10.871 8.782 7.528 120 HB3 ASP 31 HB3 ASP 31 -12.457 8.761 6.772 121 H ILE 32 H ILE 32 -9.822 8.690 3.855 122 HA ILE 32 HA ILE 32 -7.113 9.300 4.684 123 HB ILE 32 HB ILE 32 -8.057 7.770 2.260 124 HG12 ILE 32 HG12 ILE 32 -8.765 6.801 4.439 125 HG13 ILE 32 HG13 ILE 32 -7.648 5.780 3.551 126 HG21 ILE 32 HG21 ILE 32 -5.732 6.820 2.414 127 HG22 ILE 32 HG22 ILE 32 -5.353 8.135 3.527 128 HG23 ILE 32 HG23 ILE 32 -5.834 8.496 1.862 129 HD11 ILE 32 HD11 ILE 32 -7.244 5.984 6.002 130 HD12 ILE 32 HD12 ILE 32 -6.766 7.649 5.714 131 HD13 ILE 32 HD13 ILE 32 -5.856 6.327 4.976 132 H ASN 33 H ASN 33 -5.713 10.544 3.532 133 HA ASN 33 HA ASN 33 -6.700 12.666 1.913 134 HB2 ASN 33 HB2 ASN 33 -4.393 13.358 1.821 135 HB3 ASN 33 HB3 ASN 33 -4.698 12.722 3.424 136 HD21 ASN 33 HD21 ASN 33 -2.864 12.464 0.632 137 HD22 ASN 33 HD22 ASN 33 -1.918 11.100 1.110 138 H GLN 34 H GLN 34 -6.343 9.525 1.177 139 HA GLN 34 HA GLN 34 -6.086 9.955 -1.659 140 HB2 GLN 34 HB2 GLN 34 -4.227 8.341 -1.905 141 HB3 GLN 34 HB3 GLN 34 -3.758 9.782 -1.011 142 HG2 GLN 34 HG2 GLN 34 -4.035 8.559 1.082 143 HG3 GLN 34 HG3 GLN 34 -4.439 7.103 0.181 144 HE21 GLN 34 HE21 GLN 34 -2.033 9.506 -0.553 145 HE22 GLN 34 HE22 GLN 34 -0.680 8.465 -0.387 146 H GLY 35 H GLY 35 -6.030 7.583 -2.705 147 HA2 GLY 35 HA3 GLY 35 -7.052 5.394 -1.299 148 HA3 GLY 35 HA2 GLY 35 -8.421 6.295 -1.942 149 H ASN 36 H ASN 36 -5.207 5.673 -3.303 150 HA ASN 36 HA ASN 36 -6.534 4.655 -5.724 151 HB2 ASN 36 HB2 ASN 36 -5.232 6.709 -6.071 152 HB3 ASN 36 HB3 ASN 36 -3.805 5.927 -5.404 153 HD21 ASN 36 HD21 ASN 36 -2.634 6.257 -7.247 154 HD22 ASN 36 HD22 ASN 36 -2.926 5.373 -8.697 155 H TYR 37 H TYR 37 -3.444 4.293 -4.018 156 HA TYR 37 HA TYR 37 -3.338 1.494 -4.855 157 HB2 TYR 37 HB2 TYR 37 -0.897 1.837 -3.908 158 HB3 TYR 37 HB3 TYR 37 -1.318 2.427 -5.514 159 HD1 TYR 37 HD2 TYR 37 -1.311 3.602 -1.957 160 HD2 TYR 37 HD1 TYR 37 -0.762 4.605 -6.056 161 HE1 TYR 37 HE2 TYR 37 -0.660 5.883 -1.306 162 HE2 TYR 37 HE1 TYR 37 -0.113 6.888 -5.418 163 HH TYR 37 HH TYR 37 -0.357 8.425 -3.611 164 H LEU 38 H LEU 38 -1.689 0.459 -2.945 165 HA LEU 38 HA LEU 38 -3.463 0.085 -0.756 166 HB2 LEU 38 HB2 LEU 38 -1.809 -1.617 -1.617 167 HB3 LEU 38 HB3 LEU 38 -0.550 -0.693 -0.813 168 HG LEU 38 HG LEU 38 -2.238 -1.012 1.241 169 HD11 LEU 38 HD11 LEU 38 -3.916 -2.244 0.184 170 HD12 LEU 38 HD12 LEU 38 -3.000 -3.429 1.108 171 HD13 LEU 38 HD13 LEU 38 -2.760 -3.284 -0.634 172 HD21 LEU 38 HD21 LEU 38 -0.223 -3.055 0.332 173 HD22 LEU 38 HD22 LEU 38 -0.876 -2.906 1.965 174 HD23 LEU 38 HD23 LEU 38 0.107 -1.609 1.286 175 H THR 39 H THR 39 -3.161 0.650 1.396 176 HA THR 39 HA THR 39 -1.228 2.784 1.916 177 HB THR 39 HB THR 39 -2.840 3.987 3.247 178 HG1 THR 39 HG1 THR 39 -4.674 1.915 2.508 179 HG21 THR 39 HG21 THR 39 -2.848 3.937 0.585 180 HG22 THR 39 HG22 THR 39 -3.951 4.950 1.515 181 HG23 THR 39 HG23 THR 39 -4.502 3.405 0.868 182 H ALA 40 H ALA 40 -1.526 3.231 4.492 183 HA ALA 40 HA ALA 40 -0.288 1.033 5.772 184 HB1 ALA 40 HB1 ALA 40 -1.510 3.507 6.990 185 HB2 ALA 40 HB2 ALA 40 0.147 3.351 6.410 186 HB3 ALA 40 HB3 ALA 40 -0.398 2.400 7.792 187 H ASN 41 H ASN 41 -3.542 2.432 6.075 188 HA ASN 41 HA ASN 41 -4.462 0.635 8.033 189 HB2 ASN 41 HB2 ASN 41 -6.752 1.296 6.913 190 HB3 ASN 41 HB3 ASN 41 -5.871 2.416 7.944 191 HD21 ASN 41 HD21 ASN 41 -7.064 1.770 4.797 192 HD22 ASN 41 HD22 ASN 41 -6.480 3.222 4.041 193 H ASP 42 H ASP 42 -4.230 0.381 4.573 194 HA ASP 42 HA ASP 42 -5.754 -2.009 4.331 195 HB2 ASP 42 HB2 ASP 42 -3.596 -0.831 2.584 196 HB3 ASP 42 HB3 ASP 42 -4.421 -2.331 2.199 197 H VAL 43 H VAL 43 -2.362 -1.318 4.967 198 HA VAL 43 HA VAL 43 -1.357 -3.927 4.859 199 HB VAL 43 HB VAL 43 -0.479 -1.580 6.549 200 HG11 VAL 43 HG11 VAL 43 0.938 -4.188 6.070 201 HG12 VAL 43 HG12 VAL 43 0.239 -3.661 7.607 202 HG13 VAL 43 HG13 VAL 43 1.609 -2.787 6.912 203 HG21 VAL 43 HG21 VAL 43 0.992 -2.755 4.263 204 HG22 VAL 43 HG22 VAL 43 1.061 -1.114 4.909 205 HG23 VAL 43 HG23 VAL 43 -0.338 -1.636 3.963 206 H SER 44 H SER 44 -2.998 -2.194 7.432 207 HA SER 44 HA SER 44 -2.643 -4.093 9.472 208 HB2 SER 44 HB2 SER 44 -3.390 -1.760 9.771 209 HB3 SER 44 HB3 SER 44 -4.963 -2.199 9.118 210 HG SER 44 HG SER 44 -3.746 -3.400 11.396 211 H LYS 45 H LYS 45 -4.490 -4.195 6.642 212 HA LYS 45 HA LYS 45 -6.557 -5.963 7.583 213 HB2 LYS 45 HB2 LYS 45 -5.744 -5.086 4.832 214 HB3 LYS 45 HB1 LYS 45 -7.122 -6.119 5.171 215 HG2 LYS 45 HG2 LYS 45 -8.173 -4.364 6.445 216 HG3 LYS 45 HG1 LYS 45 -6.756 -3.329 6.245 217 HD2 LYS 45 HD2 LYS 45 -8.532 -2.723 4.675 218 HD3 LYS 45 HD1 LYS 45 -7.100 -3.327 3.830 219 HE2 LYS 45 HE2 LYS 45 -8.230 -5.593 3.870 220 HE3 LYS 45 HE1 LYS 45 -9.698 -4.742 4.349 221 HZ1 LYS 45 HZ1 LYS 45 -8.160 -4.181 1.870 222 HZ2 LYS 45 HZ2 LYS 45 -9.619 -3.449 2.338 223 HZ3 LYS 45 HZ3 LYS 45 -9.584 -5.095 1.944 224 H ILE 46 H ILE 46 -3.310 -6.449 6.703 225 HA ILE 46 HA ILE 46 -3.892 -9.248 6.103 226 HB ILE 46 HB ILE 46 -1.604 -9.410 5.227 227 HG12 ILE 46 HG12 ILE 46 -1.587 -6.396 5.476 228 HG13 ILE 46 HG13 ILE 46 -0.565 -7.523 6.362 229 HG21 ILE 46 HG21 ILE 46 -2.110 -8.467 3.103 230 HG22 ILE 46 HG22 ILE 46 -3.281 -7.362 3.828 231 HG23 ILE 46 HG23 ILE 46 -3.582 -9.102 3.838 232 HD11 ILE 46 HD11 ILE 46 -0.044 -8.231 3.796 233 HD12 ILE 46 HD12 ILE 46 0.921 -7.088 4.752 234 HD13 ILE 46 HD13 ILE 46 -0.319 -6.493 3.640 235 H ARG 47 H ARG 47 -1.828 -10.585 6.624 236 HA ARG 47 HA ARG 47 -0.451 -10.062 9.037 237 HB2 ARG 47 HB2 ARG 47 -1.566 -11.796 10.437 238 HB3 ARG 47 HB1 ARG 47 -2.606 -10.420 10.109 239 HG2 ARG 47 HG2 ARG 47 -2.779 -12.788 8.317 240 HG3 ARG 47 HG1 ARG 47 -3.493 -12.890 9.927 241 HD2 ARG 47 HD2 ARG 47 -4.123 -10.810 7.821 242 HD3 ARG 47 HD1 ARG 47 -5.142 -12.185 8.263 243 HE ARG 47 HE ARG 47 -4.621 -10.710 10.585 244 HH11 ARG 47 HH11 ARG 47 -6.370 -10.395 7.556 245 HH12 ARG 47 HH12 ARG 47 -7.530 -9.279 8.211 246 HH21 ARG 47 HH21 ARG 47 -6.157 -9.255 11.438 247 HH22 ARG 47 HH22 ARG 47 -7.421 -8.639 10.406 248 H VAL 48 H VAL 48 0.969 -11.728 9.585 249 HA VAL 48 HA VAL 48 1.875 -13.190 7.314 250 HB VAL 48 HB VAL 48 2.919 -13.812 10.007 251 HG11 VAL 48 HG11 VAL 48 4.235 -13.064 7.406 252 HG12 VAL 48 HG12 VAL 48 3.932 -14.714 7.962 253 HG13 VAL 48 HG13 VAL 48 5.050 -13.677 8.848 254 HG21 VAL 48 HG21 VAL 48 3.123 -11.119 8.714 255 HG22 VAL 48 HG22 VAL 48 4.249 -11.679 9.955 256 HG23 VAL 48 HG23 VAL 48 2.531 -11.495 10.331 257 H GLY 49 H GLY 49 1.913 -15.431 7.026 258 HA2 GLY 49 HA3 GLY 49 1.488 -17.650 8.015 259 HA3 GLY 49 HA2 GLY 49 0.094 -16.927 8.805 260 H MET 50 H MET 50 -0.616 -15.367 6.380 261 HA MET 50 HA MET 50 -1.917 -17.551 4.980 262 HB2 MET 50 HB2 MET 50 -3.170 -15.745 3.777 263 HB3 MET 50 HB3 MET 50 -3.466 -15.862 5.498 264 HG2 MET 50 HG2 MET 50 -1.961 -13.952 5.844 265 HG3 MET 50 HG3 MET 50 -1.723 -13.856 4.106 266 HE1 MET 50 HE1 MET 50 -3.645 -10.886 3.897 267 HE2 MET 50 HE2 MET 50 -2.127 -11.538 4.531 268 HE3 MET 50 HE3 MET 50 -3.373 -10.963 5.642 269 H THR 51 H THR 51 -2.266 -16.942 2.501 270 HA THR 51 HA THR 51 0.426 -17.385 1.517 271 HB THR 51 HB THR 51 -0.573 -18.339 -0.435 272 HG1 THR 51 HG1 THR 51 -2.779 -18.212 -0.832 273 HG21 THR 51 HG21 THR 51 -1.923 -19.076 2.117 274 HG22 THR 51 HG22 THR 51 -0.554 -19.873 1.338 275 HG23 THR 51 HG23 THR 51 -2.169 -19.985 0.628 276 H GLN 52 H GLN 52 0.605 -16.734 -0.925 277 HA GLN 52 HA GLN 52 0.571 -13.950 -1.251 278 HB2 GLN 52 HB2 GLN 52 0.496 -16.112 -3.360 279 HB3 GLN 52 HB3 GLN 52 0.898 -14.428 -3.656 280 HG2 GLN 52 HG2 GLN 52 2.867 -14.619 -2.275 281 HG3 GLN 52 HG3 GLN 52 2.445 -16.280 -1.866 282 HE21 GLN 52 HE21 GLN 52 1.511 -16.862 -4.590 283 HE22 GLN 52 HE22 GLN 52 2.942 -17.023 -5.548 284 H GLN 53 H GLN 53 -1.687 -16.473 -2.331 285 HA GLN 53 HA GLN 53 -3.441 -14.855 -3.760 286 HB2 GLN 53 HB2 GLN 53 -3.310 -17.545 -2.803 287 HB3 GLN 53 HB3 GLN 53 -4.922 -16.906 -2.509 288 HG2 GLN 53 HG2 GLN 53 -3.792 -16.359 -5.160 289 HG3 GLN 53 HG3 GLN 53 -4.145 -18.044 -4.794 290 HE21 GLN 53 HE21 GLN 53 -5.984 -15.487 -3.314 291 HE22 GLN 53 HE22 GLN 53 -7.445 -15.748 -4.212 292 H GLN 54 H GLN 54 -3.287 -15.626 -0.334 293 HA GLN 54 HA GLN 54 -5.757 -14.442 0.347 294 HB2 GLN 54 HB2 GLN 54 -3.330 -14.703 2.118 295 HB3 GLN 54 HB3 GLN 54 -4.998 -14.540 2.637 296 HG2 GLN 54 HG2 GLN 54 -4.656 -16.830 0.921 297 HG3 GLN 54 HG3 GLN 54 -3.557 -16.882 2.295 298 HE21 GLN 54 HE21 GLN 54 -4.526 -18.499 3.382 299 HE22 GLN 54 HE22 GLN 54 -6.110 -18.384 4.072 300 H VAL 55 H VAL 55 -2.405 -13.253 0.660 301 HA VAL 55 HA VAL 55 -3.088 -10.707 1.603 302 HB VAL 55 HB VAL 55 -0.627 -11.624 0.127 303 HG11 VAL 55 HG11 VAL 55 -0.989 -9.107 1.726 304 HG12 VAL 55 HG12 VAL 55 -1.047 -9.164 -0.034 305 HG13 VAL 55 HG13 VAL 55 0.444 -9.595 0.816 306 HG21 VAL 55 HG21 VAL 55 -0.921 -10.994 3.030 307 HG22 VAL 55 HG22 VAL 55 0.359 -11.910 2.224 308 HG23 VAL 55 HG23 VAL 55 -1.258 -12.609 2.390 309 H ALA 56 H ALA 56 -2.496 -11.857 -1.720 310 HA ALA 56 HA ALA 56 -2.521 -9.339 -2.952 311 HB1 ALA 56 HB1 ALA 56 -1.796 -10.955 -4.404 312 HB2 ALA 56 HB2 ALA 56 -3.461 -10.762 -4.946 313 HB3 ALA 56 HB3 ALA 56 -3.028 -12.112 -3.898 314 H TYR 57 H TYR 57 -5.099 -11.456 -1.923 315 HA TYR 57 HA TYR 57 -7.105 -9.858 -3.225 316 HB2 TYR 57 HB2 TYR 57 -7.059 -12.390 -1.698 317 HB3 TYR 57 HB3 TYR 57 -8.578 -11.485 -1.734 318 HD1 TYR 57 HD2 TYR 57 -5.914 -11.842 -4.323 319 HD2 TYR 57 HD1 TYR 57 -9.969 -12.609 -3.251 320 HE1 TYR 57 HE2 TYR 57 -6.366 -12.611 -6.593 321 HE2 TYR 57 HE1 TYR 57 -10.426 -13.381 -5.542 322 HH TYR 57 HH TYR 57 -9.412 -12.958 -7.854 323 H ALA 58 H ALA 58 -5.871 -10.283 0.052 324 HA ALA 58 HA ALA 58 -7.780 -8.666 1.385 325 HB1 ALA 58 HB1 ALA 58 -4.908 -9.119 2.187 326 HB2 ALA 58 HB2 ALA 58 -6.215 -10.283 2.461 327 HB3 ALA 58 HB3 ALA 58 -6.274 -8.698 3.235 328 H LEU 59 H LEU 59 -4.668 -8.076 -0.065 329 HA LEU 59 HA LEU 59 -4.579 -5.315 0.799 330 HB2 LEU 59 HB2 LEU 59 -2.742 -7.375 0.213 331 HB3 LEU 59 HB3 LEU 59 -2.453 -6.123 -0.972 332 HG LEU 59 HG LEU 59 -1.815 -4.571 0.655 333 HD11 LEU 59 HD11 LEU 59 -3.332 -6.370 2.495 334 HD12 LEU 59 HD12 LEU 59 -3.508 -4.618 2.239 335 HD13 LEU 59 HD13 LEU 59 -2.113 -5.257 3.130 336 HD21 LEU 59 HD21 LEU 59 -0.957 -7.272 1.628 337 HD22 LEU 59 HD22 LEU 59 -0.153 -5.744 1.995 338 HD23 LEU 59 HD23 LEU 59 -0.184 -6.353 0.337 339 H GLY 60 H GLY 60 -4.413 -7.109 -2.238 340 HA2 GLY 60 HA3 GLY 60 -5.758 -6.133 -4.118 341 HA3 GLY 60 HA2 GLY 60 -4.992 -4.609 -3.685 342 H THR 61 H THR 61 -4.859 -7.067 -5.808 343 HA THR 61 HA THR 61 -2.205 -7.864 -5.915 344 HB THR 61 HB THR 61 -2.642 -8.317 -8.348 345 HG1 THR 61 HG1 THR 61 -4.351 -6.485 -8.267 346 HG21 THR 61 HG21 THR 61 -3.195 -9.867 -6.425 347 HG22 THR 61 HG22 THR 61 -4.120 -10.132 -7.906 348 HG23 THR 61 HG23 THR 61 -4.858 -9.286 -6.545 349 HA PRO 62 HA PRO 62 -0.031 -4.209 -6.597 350 HB2 PRO 62 HB2 PRO 62 2.118 -5.843 -7.763 351 HB3 PRO 62 HB3 PRO 62 2.105 -4.893 -6.274 352 HG2 PRO 62 HG2 PRO 62 2.080 -7.577 -6.236 353 HG3 PRO 62 HG3 PRO 62 1.212 -6.615 -5.026 354 HD2 PRO 62 HD2 PRO 62 0.146 -8.019 -7.450 355 HD3 PRO 62 HD3 PRO 62 -0.540 -7.927 -5.816 356 H LEU 63 H LEU 63 1.421 -3.126 -8.220 357 HA LEU 63 HA LEU 63 -0.089 -2.355 -10.370 358 HB2 LEU 63 HB2 LEU 63 2.908 -2.222 -10.373 359 HB3 LEU 63 HB3 LEU 63 1.765 -1.058 -11.018 360 HG LEU 63 HG LEU 63 1.813 -1.618 -8.077 361 HD11 LEU 63 HD11 LEU 63 4.133 -1.201 -8.765 362 HD12 LEU 63 HD12 LEU 63 3.485 0.107 -7.769 363 HD13 LEU 63 HD13 LEU 63 3.631 0.315 -9.517 364 HD21 LEU 63 HD21 LEU 63 -0.001 -0.266 -9.019 365 HD22 LEU 63 HD22 LEU 63 1.183 0.846 -9.708 366 HD23 LEU 63 HD23 LEU 63 1.035 0.689 -7.958 367 H MET 64 H MET 64 2.583 -4.668 -10.307 368 HA MET 64 HA MET 64 2.762 -5.132 -13.076 369 HB2 MET 64 HB2 MET 64 3.875 -7.297 -12.346 370 HB3 MET 64 HB3 MET 64 4.594 -5.804 -11.762 371 HG2 MET 64 HG2 MET 64 3.425 -6.107 -9.623 372 HG3 MET 64 HG3 MET 64 2.780 -7.643 -10.206 373 HE1 MET 64 HE1 MET 64 5.080 -8.970 -7.640 374 HE2 MET 64 HE2 MET 64 3.597 -8.026 -7.886 375 HE3 MET 64 HE3 MET 64 5.088 -7.219 -7.400 376 H SER 65 H SER 65 0.235 -5.832 -11.077 377 HA SER 65 HA SER 65 -1.685 -6.962 -11.263 378 HB2 SER 65 HB2 SER 65 -2.519 -7.502 -13.545 379 HB3 SER 65 HB3 SER 65 -1.919 -5.855 -13.381 380 HG SER 65 HG SER 65 0.093 -7.452 -14.151 381 H ASP 66 H ASP 66 1.098 -8.554 -11.439 382 HA ASP 66 HA ASP 66 -0.288 -11.114 -11.138 383 HB2 ASP 66 HB2 ASP 66 2.216 -10.646 -12.761 384 HB3 ASP 66 HB3 ASP 66 1.769 -12.224 -12.119 385 HA PRO 67 HA PRO 67 2.229 -10.263 -7.457 386 HB2 PRO 67 HB2 PRO 67 0.502 -11.402 -5.719 387 HB3 PRO 67 HB3 PRO 67 0.259 -9.770 -6.353 388 HG2 PRO 67 HG2 PRO 67 -1.004 -12.347 -7.216 389 HG3 PRO 67 HG3 PRO 67 -1.764 -10.764 -6.968 390 HD2 PRO 67 HD2 PRO 67 -1.050 -11.703 -9.436 391 HD3 PRO 67 HD3 PRO 67 -1.078 -9.976 -9.022 392 H PHE 68 H PHE 68 0.722 -13.216 -8.604 393 HA PHE 68 HA PHE 68 1.997 -14.926 -6.707 394 HB2 PHE 68 HB2 PHE 68 0.581 -15.721 -9.249 395 HB3 PHE 68 HB3 PHE 68 0.821 -16.689 -7.804 396 HD1 PHE 68 HD2 PHE 68 0.013 -14.958 -5.650 397 HD2 PHE 68 HD1 PHE 68 -1.683 -15.405 -9.524 398 HE1 PHE 68 HE2 PHE 68 -2.156 -14.185 -4.786 399 HE2 PHE 68 HE1 PHE 68 -3.855 -14.629 -8.667 400 HZ PHE 68 HZ PHE 68 -4.091 -14.018 -6.294 401 H GLY 69 H GLY 69 3.418 -13.327 -9.087 402 HA2 GLY 69 HA3 GLY 69 4.881 -15.617 -10.207 403 HA3 GLY 69 HA2 GLY 69 4.872 -13.988 -10.866 404 H THR 70 H THR 70 5.188 -13.083 -7.949 405 HA THR 70 HA THR 70 8.091 -13.544 -7.785 406 HB THR 70 HB THR 70 7.351 -11.246 -8.674 407 HG1 THR 70 HG1 THR 70 9.430 -11.385 -7.959 408 HG21 THR 70 HG21 THR 70 5.497 -10.920 -7.117 409 HG22 THR 70 HG22 THR 70 6.686 -9.618 -6.997 410 HG23 THR 70 HG23 THR 70 6.641 -10.886 -5.769 411 H ASN 71 H ASN 71 8.942 -12.976 -5.574 412 HA ASN 71 HA ASN 71 6.995 -13.810 -3.522 413 HB2 ASN 71 HB2 ASN 71 9.921 -14.535 -3.772 414 HB3 ASN 71 HB3 ASN 71 8.959 -14.846 -2.332 415 HD21 ASN 71 HD21 ASN 71 6.546 -15.466 -3.883 416 HD22 ASN 71 HD22 ASN 71 6.812 -17.041 -4.539 417 H THR 72 H THR 72 8.294 -11.186 -4.562 418 HA THR 72 HA THR 72 8.658 -10.043 -1.889 419 HB THR 72 HB THR 72 10.366 -9.317 -4.278 420 HG1 THR 72 HG1 THR 72 10.627 -11.270 -2.349 421 HG21 THR 72 HG21 THR 72 9.881 -7.553 -2.566 422 HG22 THR 72 HG22 THR 72 11.590 -7.945 -2.762 423 HG23 THR 72 HG23 THR 72 10.692 -8.572 -1.378 424 H TRP 73 H TRP 73 6.943 -8.757 -1.693 425 HA TRP 73 HA TRP 73 5.881 -7.432 -4.096 426 HB2 TRP 73 HB2 TRP 73 4.596 -8.150 -1.459 427 HB3 TRP 73 HB3 TRP 73 3.797 -7.171 -2.681 428 HD1 TRP 73 HD TRP 73 5.632 -9.620 -4.600 429 HE1 TRP 73 HE1 TRP 73 4.165 -11.637 -5.239 430 HE3 TRP 73 HE3 TRP 73 1.748 -8.836 -1.381 431 HZ2 TRP 73 HZ2 TRP 73 1.692 -12.743 -4.471 432 HZ3 TRP 73 HZ3 TRP 73 -0.131 -10.417 -1.403 433 HH2 TRP 73 HH TRP 73 -0.157 -12.328 -2.916 434 H PHE 74 H PHE 74 5.382 -5.228 -4.092 435 HA PHE 74 HA PHE 74 6.331 -3.710 -1.757 436 HB2 PHE 74 HB2 PHE 74 6.827 -3.154 -4.674 437 HB3 PHE 74 HB3 PHE 74 6.878 -1.861 -3.476 438 HD1 PHE 74 HD2 PHE 74 8.342 -5.211 -4.208 439 HD2 PHE 74 HD1 PHE 74 8.834 -1.412 -2.359 440 HE1 PHE 74 HE2 PHE 74 10.681 -5.770 -3.691 441 HE2 PHE 74 HE1 PHE 74 11.177 -1.959 -1.844 442 HZ PHE 74 HZ PHE 74 12.104 -4.142 -2.512 443 H TYR 75 H TYR 75 4.873 -2.485 -0.867 444 HA TYR 75 HA TYR 75 2.654 -1.420 -2.486 445 HB2 TYR 75 HB2 TYR 75 2.503 -2.602 0.285 446 HB3 TYR 75 HB3 TYR 75 1.192 -1.743 -0.486 447 HD1 TYR 75 HD1 TYR 75 0.398 -2.708 -2.775 448 HD2 TYR 75 HD2 TYR 75 2.651 -4.861 0.104 449 HE1 TYR 75 HE1 TYR 75 -0.404 -4.815 -3.753 450 HE2 TYR 75 HE2 TYR 75 1.869 -6.994 -0.866 451 HH TYR 75 HH TYR 75 0.143 -7.102 -3.864 452 H VAL 76 H VAL 76 1.476 0.352 -1.020 453 HA VAL 76 HA VAL 76 3.673 2.087 -0.093 454 HB VAL 76 HB VAL 76 1.044 3.035 -1.242 455 HG11 VAL 76 HG11 VAL 76 3.665 4.456 -0.746 456 HG12 VAL 76 HG12 VAL 76 2.145 4.698 0.117 457 HG13 VAL 76 HG13 VAL 76 2.274 5.152 -1.581 458 HG21 VAL 76 HG21 VAL 76 3.677 2.711 -2.676 459 HG22 VAL 76 HG22 VAL 76 2.227 3.469 -3.338 460 HG23 VAL 76 HG23 VAL 76 2.222 1.748 -2.946 461 H PHE 77 H PHE 77 3.142 3.596 1.593 462 HA PHE 77 HA PHE 77 1.179 2.543 3.485 463 HB2 PHE 77 HB2 PHE 77 3.778 3.593 3.742 464 HB3 PHE 77 HB3 PHE 77 2.709 4.801 4.444 465 HD1 PHE 77 HD2 PHE 77 2.318 1.136 4.404 466 HD2 PHE 77 HD1 PHE 77 3.098 4.600 6.731 467 HE1 PHE 77 HE2 PHE 77 2.165 -0.214 6.452 468 HE2 PHE 77 HE1 PHE 77 2.949 3.261 8.791 469 HZ PHE 77 HZ PHE 77 2.485 0.846 8.651 470 H ARG 78 H ARG 78 -0.035 4.231 4.764 471 HA ARG 78 HA ARG 78 -1.624 5.742 2.960 472 HB2 ARG 78 HB2 ARG 78 -2.411 4.735 5.148 473 HB3 ARG 78 HB1 ARG 78 -1.546 6.004 5.978 474 HG2 ARG 78 HG2 ARG 78 -3.696 6.580 3.972 475 HG3 ARG 78 HG1 ARG 78 -4.046 6.272 5.671 476 HD2 ARG 78 HD2 ARG 78 -2.359 8.495 4.537 477 HD3 ARG 78 HD1 ARG 78 -3.919 8.636 5.344 478 HE ARG 78 HE ARG 78 -1.988 7.385 7.029 479 HH11 ARG 78 HH11 ARG 78 -3.038 10.504 5.826 480 HH12 ARG 78 HH12 ARG 78 -2.366 11.388 7.164 481 HH21 ARG 78 HH21 ARG 78 -1.137 8.533 8.796 482 HH22 ARG 78 HH22 ARG 78 -1.290 10.257 8.864 483 H GLN 79 H GLN 79 -1.038 7.545 2.043 484 HA GLN 79 HA GLN 79 -0.198 9.573 1.601 485 HB2 GLN 79 HB2 GLN 79 -1.292 10.410 3.495 486 HB3 GLN 79 HB3 GLN 79 -0.137 9.667 4.576 487 HG2 GLN 79 HG2 GLN 79 1.588 11.216 3.850 488 HG3 GLN 79 HG3 GLN 79 0.468 11.933 2.693 489 HE21 GLN 79 HE21 GLN 79 1.932 13.116 4.946 490 HE22 GLN 79 HE22 GLN 79 0.729 13.844 5.955 491 H GLN 80 H GLN 80 1.640 9.416 0.491 492 HA GLN 80 HA GLN 80 4.107 8.610 1.729 493 HB2 GLN 80 HB2 GLN 80 3.682 9.902 -0.948 494 HB3 GLN 80 HB3 GLN 80 5.126 9.085 -0.411 495 HG2 GLN 80 HG2 GLN 80 4.022 6.977 -0.392 496 HG3 GLN 80 HG3 GLN 80 2.465 7.725 -0.725 497 HE21 GLN 80 HE21 GLN 80 5.501 6.705 -2.049 498 HE22 GLN 80 HE22 GLN 80 5.085 6.922 -3.712 499 HA PRO 81 HA PRO 81 5.053 12.545 3.356 500 HB2 PRO 81 HB2 PRO 81 7.754 11.605 3.735 501 HB3 PRO 81 HB3 PRO 81 6.480 11.787 4.937 502 HG2 PRO 81 HG2 PRO 81 7.446 9.362 4.163 503 HG3 PRO 81 HG3 PRO 81 5.780 9.609 4.722 504 HD2 PRO 81 HD2 PRO 81 6.814 9.412 1.912 505 HD3 PRO 81 HD3 PRO 81 5.365 8.679 2.617 506 H GLY 82 H GLY 82 4.985 13.121 0.860 507 HA2 GLY 82 HA3 GLY 82 6.074 15.113 -0.055 508 HA3 GLY 82 HA2 GLY 82 7.609 14.336 0.303 509 H HIS 83 H HIS 83 6.340 15.381 -2.212 510 HA HIS 83 HA HIS 83 6.259 12.981 -3.866 511 HB2 HIS 83 HB2 HIS 83 4.711 14.920 -4.286 512 HB3 HIS 83 HB1 HIS 83 6.116 15.882 -4.729 513 HD1 HIS 83 HD1 HIS 83 6.178 16.119 -7.187 514 HD2 HIS 83 HD2 HIS 83 4.940 12.314 -6.028 515 HE1 HIS 83 HE1 HIS 83 5.811 14.839 -9.323 516 HE2 HIS 83 HE2 HIS 83 5.260 12.487 -8.593 517 H GLU 84 H GLU 84 8.389 15.448 -2.828 518 HA GLU 84 HA GLU 84 10.542 14.277 -4.452 519 HB2 GLU 84 HB2 GLU 84 10.171 17.172 -3.675 520 HB3 GLU 84 HB3 GLU 84 11.612 16.522 -4.434 521 HG2 GLU 84 HG2 GLU 84 10.483 16.057 -6.439 522 HG3 GLU 84 HG3 GLU 84 8.903 16.279 -5.692 523 H GLY 85 H GLY 85 12.294 13.646 -3.287 524 HA2 GLY 85 HA3 GLY 85 13.566 13.168 -1.413 525 HA3 GLY 85 HA2 GLY 85 12.721 14.453 -0.553 526 H VAL 86 H VAL 86 11.845 11.372 -2.078 527 HA VAL 86 HA VAL 86 9.638 10.970 -0.330 528 HB VAL 86 HB VAL 86 10.941 8.930 -2.098 529 HG11 VAL 86 HG11 VAL 86 8.149 9.103 -0.994 530 HG12 VAL 86 HG12 VAL 86 9.400 7.948 -0.521 531 HG13 VAL 86 HG13 VAL 86 8.716 7.896 -2.147 532 HG21 VAL 86 HG21 VAL 86 8.784 10.922 -2.750 533 HG22 VAL 86 HG22 VAL 86 9.278 9.588 -3.796 534 HG23 VAL 86 HG23 VAL 86 10.416 10.883 -3.421 535 H THR 87 H THR 87 9.444 9.770 1.414 536 HA THR 87 HA THR 87 11.614 7.995 2.258 537 HB THR 87 HB THR 87 11.968 10.141 3.412 538 HG1 THR 87 HG1 THR 87 10.953 8.656 5.526 539 HG21 THR 87 HG21 THR 87 9.110 9.730 4.184 540 HG22 THR 87 HG22 THR 87 9.869 11.145 3.452 541 HG23 THR 87 HG23 THR 87 10.183 10.754 5.146 542 H GLN 88 H GLN 88 8.825 7.859 1.162 543 HA GLN 88 HA GLN 88 6.907 7.035 2.949 544 HB2 GLN 88 HB2 GLN 88 5.945 7.160 0.913 545 HB3 GLN 88 HB3 GLN 88 7.491 6.915 0.110 546 HG2 GLN 88 HG2 GLN 88 6.130 5.220 -0.590 547 HG3 GLN 88 HG3 GLN 88 7.193 4.499 0.605 548 HE21 GLN 88 HE21 GLN 88 4.513 6.539 1.488 549 HE22 GLN 88 HE22 GLN 88 3.522 5.297 2.162 550 H GLN 89 H GLN 89 7.085 5.430 4.444 551 HA GLN 89 HA GLN 89 8.865 3.240 4.028 552 HB2 GLN 89 HB2 GLN 89 7.838 2.308 6.124 553 HB3 GLN 89 HB3 GLN 89 8.583 3.892 6.278 554 HG2 GLN 89 HG2 GLN 89 5.651 3.640 5.804 555 HG3 GLN 89 HG3 GLN 89 6.325 3.446 7.423 556 HE21 GLN 89 HE21 GLN 89 4.539 5.510 6.431 557 HE22 GLN 89 HE22 GLN 89 5.358 7.013 6.681 558 H THR 90 H THR 90 8.477 1.834 2.557 559 HA THR 90 HA THR 90 5.776 1.304 1.641 560 HB THR 90 HB THR 90 7.194 -0.121 -0.047 561 HG1 THR 90 HG1 THR 90 9.214 1.681 0.173 562 HG21 THR 90 HG21 THR 90 7.235 2.852 -0.066 563 HG22 THR 90 HG22 THR 90 5.940 1.838 -0.672 564 HG23 THR 90 HG23 THR 90 7.516 1.826 -1.464 565 H LEU 91 H LEU 91 4.938 -0.798 1.417 566 HA LEU 91 HA LEU 91 5.895 -2.628 3.466 567 HB2 LEU 91 HB2 LEU 91 3.444 -2.053 3.191 568 HB3 LEU 91 HB3 LEU 91 3.485 -2.967 1.697 569 HG LEU 91 HG LEU 91 4.326 -4.922 3.074 570 HD11 LEU 91 HD11 LEU 91 3.445 -4.740 5.477 571 HD12 LEU 91 HD12 LEU 91 3.566 -2.991 5.228 572 HD13 LEU 91 HD13 LEU 91 5.006 -4.004 5.090 573 HD21 LEU 91 HD21 LEU 91 2.099 -5.543 3.885 574 HD22 LEU 91 HD22 LEU 91 2.076 -4.923 2.223 575 HD23 LEU 91 HD23 LEU 91 1.540 -3.895 3.557 576 H THR 92 H THR 92 7.425 -3.987 2.887 577 HA THR 92 HA THR 92 7.351 -5.129 0.181 578 HB THR 92 HB THR 92 9.660 -5.026 2.141 579 HG1 THR 92 HG1 THR 92 8.741 -3.310 0.179 580 HG21 THR 92 HG21 THR 92 9.707 -6.984 0.634 581 HG22 THR 92 HG22 THR 92 11.016 -5.850 0.300 582 HG23 THR 92 HG23 THR 92 9.601 -5.900 -0.753 583 H LEU 93 H LEU 93 6.338 -7.019 0.180 584 HA LEU 93 HA LEU 93 6.173 -8.477 2.691 585 HB2 LEU 93 HB2 LEU 93 4.234 -7.892 0.958 586 HB3 LEU 93 HB3 LEU 93 4.747 -9.426 0.267 587 HG LEU 93 HG LEU 93 4.390 -10.463 2.484 588 HD11 LEU 93 HD11 LEU 93 2.783 -8.846 3.861 589 HD12 LEU 93 HD12 LEU 93 3.846 -7.643 3.143 590 HD13 LEU 93 HD13 LEU 93 4.517 -8.936 4.141 591 HD21 LEU 93 HD21 LEU 93 1.868 -9.091 1.815 592 HD22 LEU 93 HD22 LEU 93 2.173 -10.794 2.148 593 HD23 LEU 93 HD23 LEU 93 2.622 -10.098 0.583 594 H THR 94 H THR 94 7.276 -10.278 3.102 595 HA THR 94 HA THR 94 8.879 -11.412 0.957 596 HB THR 94 HB THR 94 9.174 -11.334 3.952 597 HG1 THR 94 HG1 THR 94 10.373 -9.684 3.431 598 HG21 THR 94 HG21 THR 94 9.747 -13.542 3.198 599 HG22 THR 94 HG22 THR 94 11.201 -12.667 3.683 600 HG23 THR 94 HG23 THR 94 10.824 -12.884 1.970 601 H PHE 95 H PHE 95 8.341 -13.324 0.187 602 HA PHE 95 HA PHE 95 6.623 -15.108 1.784 603 HB2 PHE 95 HB2 PHE 95 6.764 -14.634 -1.185 604 HB3 PHE 95 HB3 PHE 95 6.006 -16.066 -0.507 605 HD1 PHE 95 HD2 PHE 95 4.070 -15.803 0.986 606 HD2 PHE 95 HD1 PHE 95 5.640 -12.560 -1.244 607 HE1 PHE 95 HE2 PHE 95 1.961 -14.598 1.300 608 HE2 PHE 95 HE1 PHE 95 3.527 -11.332 -0.940 609 HZ PHE 95 HZ PHE 95 1.688 -12.366 0.337 610 H ASN 96 H ASN 96 7.207 -17.175 2.063 611 HA ASN 96 HA ASN 96 9.883 -17.962 1.387 612 HB2 ASN 96 HB2 ASN 96 9.332 -20.095 2.511 613 HB3 ASN 96 HB3 ASN 96 8.970 -18.693 3.503 614 HD21 ASN 96 HD21 ASN 96 7.565 -19.834 4.766 615 HD22 ASN 96 HD22 ASN 96 5.989 -20.298 4.223 616 H SER 97 H SER 97 9.893 -20.525 0.703 617 HA SER 97 HA SER 97 9.701 -20.525 -2.027 618 HB2 SER 97 HB2 SER 97 9.453 -22.986 -0.294 619 HB3 SER 97 HB3 SER 97 10.142 -22.876 -1.916 620 HG SER 97 HG SER 97 11.971 -22.415 -1.014 621 H SER 98 H SER 98 7.161 -21.411 0.280 622 HA SER 98 HA SER 98 5.635 -22.716 -1.823 623 HB2 SER 98 HB2 SER 98 5.856 -23.669 0.504 624 HB3 SER 98 HB3 SER 98 4.863 -22.328 1.074 625 HG SER 98 HG SER 98 3.850 -23.751 -1.084 626 H GLY 99 H GLY 99 6.055 -19.598 -0.913 627 HA2 GLY 99 HA3 GLY 99 4.867 -17.726 -1.634 628 HA3 GLY 99 HA2 GLY 99 3.557 -18.786 -2.142 629 H VAL 100 H VAL 100 4.971 -18.941 1.001 630 HA VAL 100 HA VAL 100 2.436 -18.039 2.189 631 HB VAL 100 HB VAL 100 4.647 -19.618 3.502 632 HG11 VAL 100 HG11 VAL 100 1.780 -19.118 4.287 633 HG12 VAL 100 HG12 VAL 100 3.220 -18.479 5.080 634 HG13 VAL 100 HG13 VAL 100 2.880 -20.210 5.128 635 HG21 VAL 100 HG21 VAL 100 2.172 -20.617 2.111 636 HG22 VAL 100 HG22 VAL 100 3.159 -21.593 3.199 637 HG23 VAL 100 HG23 VAL 100 3.857 -20.968 1.703 638 H LEU 101 H LEU 101 2.424 -16.352 3.614 639 HA LEU 101 HA LEU 101 4.492 -14.482 3.605 640 HB2 LEU 101 HB2 LEU 101 1.920 -14.825 4.930 641 HB3 LEU 101 HB3 LEU 101 3.085 -13.920 5.881 642 HG LEU 101 HG LEU 101 2.144 -13.275 3.110 643 HD11 LEU 101 HD11 LEU 101 1.845 -11.809 5.712 644 HD12 LEU 101 HD12 LEU 101 0.574 -12.742 4.926 645 HD13 LEU 101 HD13 LEU 101 1.214 -11.290 4.151 646 HD21 LEU 101 HD21 LEU 101 4.126 -11.804 4.807 647 HD22 LEU 101 HD22 LEU 101 3.578 -11.349 3.200 648 HD23 LEU 101 HD23 LEU 101 4.544 -12.813 3.427 649 H THR 102 H THR 102 6.312 -14.389 4.601 650 HA THR 102 HA THR 102 6.637 -15.860 7.130 651 HB THR 102 HB THR 102 8.948 -16.115 6.698 652 HG1 THR 102 HG1 THR 102 9.509 -14.069 5.948 653 HG21 THR 102 HG21 THR 102 7.314 -17.400 5.213 654 HG22 THR 102 HG22 THR 102 9.004 -17.345 4.706 655 HG23 THR 102 HG23 THR 102 7.813 -16.294 3.935 656 H ASN 103 H ASN 103 7.359 -12.842 5.422 657 HA ASN 103 HA ASN 103 7.436 -11.481 8.041 658 HB2 ASN 103 HB2 ASN 103 9.426 -10.957 5.827 659 HB3 ASN 103 HB3 ASN 103 9.284 -10.025 7.300 660 HD21 ASN 103 HD21 ASN 103 11.264 -10.362 8.090 661 HD22 ASN 103 HD22 ASN 103 11.881 -11.904 8.572 662 H ILE 104 H ILE 104 6.856 -9.326 8.029 663 HA ILE 104 HA ILE 104 5.801 -8.227 5.490 664 HB ILE 104 HB ILE 104 5.080 -7.064 8.160 665 HG12 ILE 104 HG12 ILE 104 4.582 -9.510 8.331 666 HG13 ILE 104 HG13 ILE 104 3.170 -8.476 8.478 667 HG21 ILE 104 HG21 ILE 104 3.630 -7.209 5.511 668 HG22 ILE 104 HG22 ILE 104 4.468 -5.821 6.196 669 HG23 ILE 104 HG23 ILE 104 3.011 -6.438 6.971 670 HD11 ILE 104 HD11 ILE 104 2.740 -8.977 6.030 671 HD12 ILE 104 HD12 ILE 104 2.500 -10.294 7.182 672 HD13 ILE 104 HD13 ILE 104 3.964 -10.243 6.190 673 H ASP 105 H ASP 105 7.738 -7.239 4.808 674 HA ASP 105 HA ASP 105 9.369 -5.841 6.756 675 HB2 ASP 105 HB2 ASP 105 9.759 -6.493 3.833 676 HB3 ASP 105 HB3 ASP 105 10.918 -5.589 4.790 677 H ASN 106 H ASN 106 8.399 -3.911 7.251 678 HA ASN 106 HA ASN 106 7.767 -2.138 5.002 679 HB2 ASN 106 HB2 ASN 106 5.862 -2.517 6.439 680 HB3 ASN 106 HB3 ASN 106 6.784 -2.048 7.861 681 HD21 ASN 106 HD21 ASN 106 5.194 -0.939 4.977 682 HD22 ASN 106 HD22 ASN 106 5.158 0.737 5.394 683 H LYS 107 H LYS 107 9.360 -0.902 4.528 684 HA LYS 107 HA LYS 107 10.693 0.672 6.588 685 HB2 LYS 107 HB2 LYS 107 12.876 0.049 6.016 686 HB3 LYS 107 HB1 LYS 107 12.014 -1.472 6.002 687 HG2 LYS 107 HG2 LYS 107 12.386 0.092 3.511 688 HG3 LYS 107 HG1 LYS 107 13.664 -0.963 4.106 689 HD2 LYS 107 HD2 LYS 107 12.626 -2.506 2.827 690 HD3 LYS 107 HD1 LYS 107 11.527 -2.629 4.198 691 HE2 LYS 107 HE2 LYS 107 10.291 -2.421 2.110 692 HE3 LYS 107 HE1 LYS 107 10.022 -1.021 3.145 693 HZ1 LYS 107 HZ1 LYS 107 11.851 -1.144 0.800 694 HZ2 LYS 107 HZ2 LYS 107 11.666 0.198 1.818 695 HZ3 LYS 107 HZ3 LYS 107 10.362 -0.329 0.876 696 HA PRO 108 HA PRO 108 10.339 3.947 3.775 697 HB2 PRO 108 HB2 PRO 108 12.815 5.102 3.507 698 HB3 PRO 108 HB3 PRO 108 11.755 5.317 4.900 699 HG2 PRO 108 HG2 PRO 108 14.151 3.585 4.586 700 HG3 PRO 108 HG3 PRO 108 13.560 4.439 6.022 701 HD2 PRO 108 HD2 PRO 108 13.256 1.748 5.586 702 HD3 PRO 108 HD3 PRO 108 12.187 2.705 6.615 703 H ALA 109 H ALA 109 10.513 4.676 1.635 704 HA ALA 109 HA ALA 109 11.584 2.715 -0.214 705 HB1 ALA 109 HB1 ALA 109 9.942 5.161 -0.776 706 HB2 ALA 109 HB2 ALA 109 9.299 3.567 -0.390 707 HB3 ALA 109 HB3 ALA 109 10.246 3.796 -1.858 708 H LEU 110 H LEU 110 12.912 3.147 -1.907 709 HA LEU 110 HA LEU 110 14.736 3.957 -2.961 710 HB2 LEU 110 HB2 LEU 110 13.415 6.617 -2.490 711 HB3 LEU 110 HB3 LEU 110 14.503 6.184 -3.799 712 HG LEU 110 HG LEU 110 11.883 4.763 -3.419 713 HD11 LEU 110 HD11 LEU 110 11.027 6.291 -5.207 714 HD12 LEU 110 HD12 LEU 110 12.402 7.344 -4.863 715 HD13 LEU 110 HD13 LEU 110 11.207 7.010 -3.609 716 HD21 LEU 110 HD21 LEU 110 13.403 3.661 -4.900 717 HD22 LEU 110 HD22 LEU 110 13.740 5.166 -5.754 718 HD23 LEU 110 HD23 LEU 110 12.140 4.430 -5.866 719 H SER 111 H SER 111 14.407 6.920 -1.100 720 HA SER 111 HA SER 111 16.633 6.297 0.600 721 HB2 SER 111 HB2 SER 111 17.760 6.956 -1.498 722 HB3 SER 111 HB3 SER 111 16.872 8.481 -1.487 723 HG SER 111 HG SER 111 17.899 8.721 0.705 724 H GLY 112 H GLY 112 15.773 6.956 2.465 725 HA2 GLY 112 HA3 GLY 112 13.993 9.225 2.617 726 HA3 GLY 112 HA2 GLY 112 14.534 8.224 3.955 727 H ASN 113 H ASN 113 15.586 9.360 5.384 728 HA ASN 113 HA ASN 113 17.829 10.980 4.515 729 HB2 ASN 113 HB2 ASN 113 15.851 12.531 4.671 730 HB3 ASN 113 HB3 ASN 113 15.752 12.141 6.384 731 HD21 ASN 113 HD21 ASN 113 16.109 14.280 6.950 732 HD22 ASN 113 HD22 ASN 113 17.674 15.025 6.812 Start of MODEL 17 1 H1 GLY 17 H1 GLY 17 -20.901 18.004 -1.782 2 H2 GLY 17 H2 GLY 17 -19.629 18.944 -2.387 3 H3 GLY 17 H3 GLY 17 -20.417 17.843 -3.402 4 HA2 GLY 17 HA2 GLY 17 -22.490 19.131 -3.141 5 HA3 GLY 17 HA3 GLY 17 -21.563 20.316 -2.230 6 H SER 18 H SER 18 -22.898 19.866 -5.114 7 HA SER 18 HA SER 18 -20.637 20.976 -6.624 8 HB2 SER 18 HB2 SER 18 -21.924 20.205 -8.645 9 HB3 SER 18 HB3 SER 18 -21.374 18.907 -7.586 10 HG SER 18 HG SER 18 -23.721 19.057 -8.415 11 H HIS 19 H HIS 19 -23.989 21.506 -5.719 12 HA HIS 19 HA HIS 19 -23.875 24.059 -7.181 13 HB2 HIS 19 HB2 HIS 19 -26.360 23.971 -7.343 14 HB3 HIS 19 HB1 HIS 19 -25.553 22.679 -8.217 15 HD1 HIS 19 HD1 HIS 19 -26.555 20.452 -7.902 16 HD2 HIS 19 HD2 HIS 19 -27.361 22.963 -4.682 17 HE1 HIS 19 HE1 HIS 19 -28.089 19.150 -6.384 18 HE2 HIS 19 HE2 HIS 19 -28.734 20.772 -4.560 19 H MET 20 H MET 20 -22.759 24.061 -4.759 20 HA MET 20 HA MET 20 -22.732 25.135 -2.760 21 HB2 MET 20 HB2 MET 20 -23.603 27.032 -4.080 22 HB3 MET 20 HB3 MET 20 -25.244 26.473 -3.795 23 HG2 MET 20 HG2 MET 20 -24.911 26.821 -1.378 24 HG3 MET 20 HG3 MET 20 -23.305 27.461 -1.717 25 HE1 MET 20 HE1 MET 20 -25.316 30.669 -0.716 26 HE2 MET 20 HE2 MET 20 -23.901 29.668 -0.381 27 HE3 MET 20 HE3 MET 20 -25.519 29.051 -0.046 28 H SER 21 H SER 21 -23.115 23.090 -1.772 29 HA SER 21 HA SER 21 -25.817 22.430 -0.961 30 HB2 SER 21 HB2 SER 21 -24.055 20.699 -1.547 31 HB3 SER 21 HB3 SER 21 -23.232 21.140 -0.051 32 HG SER 21 HG SER 21 -25.564 19.695 -0.449 33 H THR 22 H THR 22 -26.649 22.650 1.086 34 HA THR 22 HA THR 22 -25.458 24.698 2.714 35 HB THR 22 HB THR 22 -27.569 24.123 4.156 36 HG1 THR 22 HG1 THR 22 -28.455 22.351 3.320 37 HG21 THR 22 HG21 THR 22 -28.944 25.538 2.688 38 HG22 THR 22 HG22 THR 22 -27.768 25.321 1.391 39 HG23 THR 22 HG23 THR 22 -27.309 26.171 2.867 40 H LEU 23 H LEU 23 -23.607 22.954 2.915 41 HA LEU 23 HA LEU 23 -23.973 21.660 5.538 42 HB2 LEU 23 HB2 LEU 23 -22.321 20.666 3.211 43 HB3 LEU 23 HB3 LEU 23 -22.309 19.962 4.814 44 HG LEU 23 HG LEU 23 -24.706 20.059 2.982 45 HD11 LEU 23 HD11 LEU 23 -24.370 17.635 2.801 46 HD12 LEU 23 HD12 LEU 23 -22.875 17.784 3.726 47 HD13 LEU 23 HD13 LEU 23 -23.013 18.546 2.141 48 HD21 LEU 23 HD21 LEU 23 -25.303 20.123 5.356 49 HD22 LEU 23 HD22 LEU 23 -24.319 18.686 5.639 50 HD23 LEU 23 HD23 LEU 23 -25.750 18.586 4.614 51 H GLU 24 H GLU 24 -23.218 23.679 6.392 52 HA GLU 24 HA GLU 24 -20.401 24.308 5.814 53 HB2 GLU 24 HB2 GLU 24 -22.261 26.049 5.513 54 HB3 GLU 24 HB3 GLU 24 -22.381 26.066 7.263 55 HG2 GLU 24 HG2 GLU 24 -19.808 26.631 5.828 56 HG3 GLU 24 HG3 GLU 24 -20.998 27.884 6.169 57 H ARG 25 H ARG 25 -22.734 23.886 8.451 58 HA ARG 25 HA ARG 25 -20.632 23.955 10.446 59 HB2 ARG 25 HB2 ARG 25 -23.612 23.539 10.629 60 HB3 ARG 25 HB1 ARG 25 -22.548 23.446 12.024 61 HG2 ARG 25 HG2 ARG 25 -22.894 25.868 10.263 62 HG3 ARG 25 HG1 ARG 25 -23.674 25.616 11.824 63 HD2 ARG 25 HD2 ARG 25 -21.826 26.965 12.309 64 HD3 ARG 25 HD1 ARG 25 -21.315 25.342 12.762 65 HE ARG 25 HE ARG 25 -20.581 26.508 10.152 66 HH11 ARG 25 HH11 ARG 25 -19.674 24.989 13.189 67 HH12 ARG 25 HH12 ARG 25 -17.998 24.865 12.759 68 HH21 ARG 25 HH21 ARG 25 -18.390 26.294 9.578 69 HH22 ARG 25 HH22 ARG 25 -17.266 25.603 10.722 70 H VAL 26 H VAL 26 -19.818 22.038 8.961 71 HA VAL 26 HA VAL 26 -20.699 19.520 10.219 72 HB VAL 26 HB VAL 26 -19.756 18.358 8.232 73 HG11 VAL 26 HG11 VAL 26 -22.142 18.804 8.361 74 HG12 VAL 26 HG12 VAL 26 -21.581 18.932 6.694 75 HG13 VAL 26 HG13 VAL 26 -21.903 20.392 7.631 76 HG21 VAL 26 HG21 VAL 26 -19.249 19.620 6.210 77 HG22 VAL 26 HG22 VAL 26 -18.178 20.103 7.525 78 HG23 VAL 26 HG23 VAL 26 -19.533 21.135 7.064 79 H VAL 27 H VAL 27 -19.093 18.061 10.891 80 HA VAL 27 HA VAL 27 -16.619 19.354 11.644 81 HB VAL 27 HB VAL 27 -18.186 17.718 13.064 82 HG11 VAL 27 HG11 VAL 27 -17.909 15.781 11.642 83 HG12 VAL 27 HG12 VAL 27 -17.173 15.475 13.215 84 HG13 VAL 27 HG13 VAL 27 -16.153 15.863 11.822 85 HG21 VAL 27 HG21 VAL 27 -15.179 17.806 13.279 86 HG22 VAL 27 HG22 VAL 27 -16.285 17.311 14.561 87 HG23 VAL 27 HG23 VAL 27 -16.314 18.970 13.961 88 H TYR 28 H TYR 28 -14.606 17.883 11.564 89 HA TYR 28 HA TYR 28 -14.091 17.148 8.864 90 HB2 TYR 28 HB2 TYR 28 -12.475 16.854 11.399 91 HB3 TYR 28 HB3 TYR 28 -11.882 16.470 9.792 92 HD1 TYR 28 HD2 TYR 28 -11.940 18.333 8.054 93 HD2 TYR 28 HD1 TYR 28 -12.276 19.050 12.224 94 HE1 TYR 28 HE2 TYR 28 -11.282 20.676 7.691 95 HE2 TYR 28 HE1 TYR 28 -11.630 21.399 11.882 96 HH TYR 28 HH TYR 28 -10.380 22.747 10.210 97 H ARG 29 H ARG 29 -14.621 15.294 7.962 98 HA ARG 29 HA ARG 29 -14.854 12.883 9.647 99 HB2 ARG 29 HB2 ARG 29 -16.876 13.807 8.316 100 HB3 ARG 29 HB1 ARG 29 -16.034 13.230 6.890 101 HG2 ARG 29 HG2 ARG 29 -16.736 11.441 9.202 102 HG3 ARG 29 HG1 ARG 29 -17.825 11.729 7.849 103 HD2 ARG 29 HD2 ARG 29 -15.953 10.937 6.340 104 HD3 ARG 29 HD1 ARG 29 -15.117 10.416 7.802 105 HE ARG 29 HE ARG 29 -17.826 9.431 7.500 106 HH11 ARG 29 HH11 ARG 29 -14.424 8.782 6.908 107 HH12 ARG 29 HH12 ARG 29 -14.650 7.061 6.789 108 HH21 ARG 29 HH21 ARG 29 -18.117 7.178 7.335 109 HH22 ARG 29 HH22 ARG 29 -16.750 6.154 7.006 110 HA PRO 30 HA PRO 30 -10.879 11.940 7.661 111 HB2 PRO 30 HB2 PRO 30 -11.626 9.354 8.948 112 HB3 PRO 30 HB3 PRO 30 -10.091 10.218 8.961 113 HG2 PRO 30 HG2 PRO 30 -11.685 10.264 11.083 114 HG3 PRO 30 HG3 PRO 30 -10.763 11.693 10.590 115 HD2 PRO 30 HD2 PRO 30 -13.652 11.132 10.319 116 HD3 PRO 30 HD3 PRO 30 -12.815 12.673 10.536 117 H ASP 31 H ASP 31 -10.608 11.242 5.637 118 HA ASP 31 HA ASP 31 -11.958 8.994 4.522 119 HB2 ASP 31 HB2 ASP 31 -13.745 10.738 4.394 120 HB3 ASP 31 HB3 ASP 31 -12.640 11.726 3.449 121 H ILE 32 H ILE 32 -10.230 8.202 3.677 122 HA ILE 32 HA ILE 32 -7.907 9.550 3.005 123 HB ILE 32 HB ILE 32 -8.775 6.863 1.951 124 HG12 ILE 32 HG12 ILE 32 -8.726 7.074 4.434 125 HG13 ILE 32 HG13 ILE 32 -7.525 5.952 3.811 126 HG21 ILE 32 HG21 ILE 32 -6.275 6.549 1.785 127 HG22 ILE 32 HG22 ILE 32 -6.131 8.300 1.975 128 HG23 ILE 32 HG23 ILE 32 -6.997 7.627 0.592 129 HD11 ILE 32 HD11 ILE 32 -6.701 7.418 5.613 130 HD12 ILE 32 HD12 ILE 32 -6.939 8.799 4.551 131 HD13 ILE 32 HD13 ILE 32 -5.777 7.541 4.120 132 H ASN 33 H ASN 33 -7.065 10.346 1.259 133 HA ASN 33 HA ASN 33 -8.741 11.174 -0.911 134 HB2 ASN 33 HB2 ASN 33 -5.944 11.638 -1.343 135 HB3 ASN 33 HB3 ASN 33 -7.206 12.811 -1.031 136 HD21 ASN 33 HD21 ASN 33 -7.638 13.330 1.087 137 HD22 ASN 33 HD22 ASN 33 -6.445 13.177 2.317 138 H GLN 34 H GLN 34 -6.292 8.802 -0.341 139 HA GLN 34 HA GLN 34 -6.323 7.976 -3.144 140 HB2 GLN 34 HB2 GLN 34 -4.389 6.475 -2.316 141 HB3 GLN 34 HB3 GLN 34 -4.095 8.201 -2.475 142 HG2 GLN 34 HG2 GLN 34 -4.458 8.486 -0.092 143 HG3 GLN 34 HG3 GLN 34 -4.737 6.756 0.083 144 HE21 GLN 34 HE21 GLN 34 -2.425 9.240 -0.611 145 HE22 GLN 34 HE22 GLN 34 -1.012 8.281 -0.337 146 H GLY 35 H GLY 35 -5.744 5.348 -2.969 147 HA2 GLY 35 HA3 GLY 35 -6.778 3.580 -1.333 148 HA3 GLY 35 HA2 GLY 35 -8.262 4.299 -1.938 149 H ASN 36 H ASN 36 -6.228 4.581 -4.421 150 HA ASN 36 HA ASN 36 -7.304 2.389 -5.894 151 HB2 ASN 36 HB2 ASN 36 -5.047 4.296 -6.556 152 HB3 ASN 36 HB3 ASN 36 -5.727 3.135 -7.686 153 HD21 ASN 36 HD21 ASN 36 -5.581 6.005 -7.827 154 HD22 ASN 36 HD22 ASN 36 -7.207 6.559 -8.003 155 H TYR 37 H TYR 37 -4.218 3.104 -4.394 156 HA TYR 37 HA TYR 37 -3.373 0.339 -4.828 157 HB2 TYR 37 HB2 TYR 37 -1.087 1.341 -4.121 158 HB3 TYR 37 HB3 TYR 37 -1.684 1.685 -5.739 159 HD1 TYR 37 HD2 TYR 37 -1.547 3.108 -2.303 160 HD2 TYR 37 HD1 TYR 37 -1.862 3.889 -6.468 161 HE1 TYR 37 HE2 TYR 37 -1.334 5.517 -1.860 162 HE2 TYR 37 HE1 TYR 37 -1.655 6.300 -6.042 163 HH TYR 37 HH TYR 37 -1.968 7.888 -4.264 164 H LEU 38 H LEU 38 -1.507 0.156 -2.785 165 HA LEU 38 HA LEU 38 -3.240 -0.275 -0.554 166 HB2 LEU 38 HB2 LEU 38 -0.457 -0.922 -1.248 167 HB3 LEU 38 HB3 LEU 38 -0.803 -0.762 0.446 168 HG LEU 38 HG LEU 38 -0.983 -3.063 -0.070 169 HD11 LEU 38 HD11 LEU 38 -2.725 -2.076 1.383 170 HD12 LEU 38 HD12 LEU 38 -3.209 -3.576 0.589 171 HD13 LEU 38 HD13 LEU 38 -3.797 -2.019 -0.017 172 HD21 LEU 38 HD21 LEU 38 -1.193 -2.865 -2.493 173 HD22 LEU 38 HD22 LEU 38 -2.853 -2.299 -2.311 174 HD23 LEU 38 HD23 LEU 38 -2.420 -3.940 -1.828 175 H THR 39 H THR 39 -2.999 0.534 1.478 176 HA THR 39 HA THR 39 -1.354 2.934 1.821 177 HB THR 39 HB THR 39 -3.046 4.015 3.137 178 HG1 THR 39 HG1 THR 39 -4.806 1.821 2.638 179 HG21 THR 39 HG21 THR 39 -3.219 3.775 0.502 180 HG22 THR 39 HG22 THR 39 -4.398 4.690 1.442 181 HG23 THR 39 HG23 THR 39 -4.763 3.040 0.931 182 H ALA 40 H ALA 40 -1.572 3.411 4.422 183 HA ALA 40 HA ALA 40 -0.245 1.196 5.678 184 HB1 ALA 40 HB1 ALA 40 -1.371 3.704 6.924 185 HB2 ALA 40 HB2 ALA 40 0.260 3.519 6.276 186 HB3 ALA 40 HB3 ALA 40 -0.241 2.580 7.681 187 H ASN 41 H ASN 41 -3.429 2.521 5.622 188 HA ASN 41 HA ASN 41 -4.605 1.251 7.825 189 HB2 ASN 41 HB2 ASN 41 -5.895 2.036 5.203 190 HB3 ASN 41 HB3 ASN 41 -6.705 1.825 6.744 191 HD21 ASN 41 HD21 ASN 41 -6.443 4.132 4.905 192 HD22 ASN 41 HD22 ASN 41 -5.829 5.422 5.878 193 H ASP 42 H ASP 42 -4.331 0.380 4.456 194 HA ASP 42 HA ASP 42 -5.874 -2.002 4.648 195 HB2 ASP 42 HB2 ASP 42 -3.893 -1.205 2.512 196 HB3 ASP 42 HB3 ASP 42 -5.116 -2.465 2.381 197 H VAL 43 H VAL 43 -2.459 -1.268 4.962 198 HA VAL 43 HA VAL 43 -1.421 -3.863 4.868 199 HB VAL 43 HB VAL 43 -0.529 -1.478 6.491 200 HG11 VAL 43 HG11 VAL 43 0.899 -4.091 6.059 201 HG12 VAL 43 HG12 VAL 43 0.202 -3.541 7.589 202 HG13 VAL 43 HG13 VAL 43 1.561 -2.668 6.875 203 HG21 VAL 43 HG21 VAL 43 0.953 -2.700 4.244 204 HG22 VAL 43 HG22 VAL 43 0.940 -1.022 4.794 205 HG23 VAL 43 HG23 VAL 43 -0.432 -1.667 3.885 206 H SER 44 H SER 44 -3.031 -2.118 7.443 207 HA SER 44 HA SER 44 -2.597 -3.898 9.552 208 HB2 SER 44 HB2 SER 44 -3.465 -1.633 9.824 209 HB3 SER 44 HB3 SER 44 -4.980 -2.108 9.069 210 HG SER 44 HG SER 44 -4.689 -3.849 10.929 211 H LYS 45 H LYS 45 -4.548 -4.208 6.768 212 HA LYS 45 HA LYS 45 -6.500 -5.982 7.843 213 HB2 LYS 45 HB2 LYS 45 -5.664 -5.471 5.010 214 HB3 LYS 45 HB1 LYS 45 -7.062 -6.422 5.486 215 HG2 LYS 45 HG2 LYS 45 -8.074 -4.478 6.510 216 HG3 LYS 45 HG1 LYS 45 -6.645 -3.511 6.133 217 HD2 LYS 45 HD2 LYS 45 -8.403 -3.101 4.499 218 HD3 LYS 45 HD1 LYS 45 -7.032 -3.917 3.737 219 HE2 LYS 45 HE2 LYS 45 -8.271 -6.080 4.192 220 HE3 LYS 45 HE1 LYS 45 -9.678 -5.081 4.553 221 HZ1 LYS 45 HZ1 LYS 45 -9.496 -4.113 2.319 222 HZ2 LYS 45 HZ2 LYS 45 -9.755 -5.789 2.271 223 HZ3 LYS 45 HZ3 LYS 45 -8.207 -5.165 1.971 224 H ILE 46 H ILE 46 -3.363 -6.436 6.277 225 HA ILE 46 HA ILE 46 -3.821 -9.277 6.108 226 HB ILE 46 HB ILE 46 -1.582 -9.447 5.163 227 HG12 ILE 46 HG12 ILE 46 -1.482 -6.425 5.145 228 HG13 ILE 46 HG13 ILE 46 -0.639 -7.424 6.329 229 HG21 ILE 46 HG21 ILE 46 -2.123 -8.461 3.039 230 HG22 ILE 46 HG22 ILE 46 -3.317 -7.413 3.808 231 HG23 ILE 46 HG23 ILE 46 -3.556 -9.161 3.790 232 HD11 ILE 46 HD11 ILE 46 -0.253 -7.974 3.432 233 HD12 ILE 46 HD12 ILE 46 0.849 -8.234 4.797 234 HD13 ILE 46 HD13 ILE 46 0.579 -6.600 4.183 235 H ARG 47 H ARG 47 -1.698 -10.530 6.591 236 HA ARG 47 HA ARG 47 -0.304 -9.982 8.969 237 HB2 ARG 47 HB2 ARG 47 -1.435 -11.507 10.507 238 HB3 ARG 47 HB1 ARG 47 -2.550 -10.255 9.982 239 HG2 ARG 47 HG2 ARG 47 -2.485 -12.904 8.603 240 HG3 ARG 47 HG1 ARG 47 -3.374 -12.691 10.115 241 HD2 ARG 47 HD2 ARG 47 -3.785 -11.169 7.543 242 HD3 ARG 47 HD1 ARG 47 -4.853 -12.403 8.212 243 HE ARG 47 HE ARG 47 -4.664 -9.628 8.994 244 HH11 ARG 47 HH11 ARG 47 -5.623 -12.821 10.076 245 HH12 ARG 47 HH12 ARG 47 -6.880 -12.222 11.119 246 HH21 ARG 47 HH21 ARG 47 -6.353 -8.850 10.337 247 HH22 ARG 47 HH22 ARG 47 -7.299 -9.986 11.249 248 H VAL 48 H VAL 48 1.093 -11.653 9.529 249 HA VAL 48 HA VAL 48 1.940 -13.196 7.308 250 HB VAL 48 HB VAL 48 2.968 -13.828 10.001 251 HG11 VAL 48 HG11 VAL 48 4.255 -13.142 7.365 252 HG12 VAL 48 HG12 VAL 48 3.984 -14.769 7.998 253 HG13 VAL 48 HG13 VAL 48 5.114 -13.685 8.811 254 HG21 VAL 48 HG21 VAL 48 3.273 -11.138 8.705 255 HG22 VAL 48 HG22 VAL 48 4.320 -11.727 10.001 256 HG23 VAL 48 HG23 VAL 48 2.594 -11.484 10.296 257 H GLY 49 H GLY 49 1.903 -15.438 7.038 258 HA2 GLY 49 HA3 GLY 49 1.431 -17.623 8.103 259 HA3 GLY 49 HA2 GLY 49 0.035 -16.851 8.838 260 H MET 50 H MET 50 -0.716 -15.386 6.421 261 HA MET 50 HA MET 50 -1.976 -17.599 5.044 262 HB2 MET 50 HB2 MET 50 -3.154 -15.762 3.736 263 HB3 MET 50 HB3 MET 50 -3.559 -15.934 5.434 264 HG2 MET 50 HG2 MET 50 -2.153 -14.018 5.948 265 HG3 MET 50 HG3 MET 50 -1.698 -13.892 4.260 266 HE1 MET 50 HE1 MET 50 -3.651 -10.894 3.894 267 HE2 MET 50 HE2 MET 50 -2.158 -11.585 4.552 268 HE3 MET 50 HE3 MET 50 -3.440 -11.058 5.642 269 H THR 51 H THR 51 -2.304 -16.975 2.531 270 HA THR 51 HA THR 51 0.393 -17.469 1.570 271 HB THR 51 HB THR 51 -0.561 -18.462 -0.359 272 HG1 THR 51 HG1 THR 51 -2.880 -18.373 -0.668 273 HG21 THR 51 HG21 THR 51 -2.055 -19.065 2.144 274 HG22 THR 51 HG22 THR 51 -0.693 -19.942 1.442 275 HG23 THR 51 HG23 THR 51 -2.280 -20.003 0.672 276 H GLN 52 H GLN 52 0.510 -16.837 -0.929 277 HA GLN 52 HA GLN 52 0.622 -14.046 -1.137 278 HB2 GLN 52 HB2 GLN 52 0.585 -16.163 -3.285 279 HB3 GLN 52 HB3 GLN 52 0.968 -14.471 -3.543 280 HG2 GLN 52 HG2 GLN 52 2.867 -14.669 -2.019 281 HG3 GLN 52 HG3 GLN 52 2.487 -16.372 -1.792 282 HE21 GLN 52 HE21 GLN 52 1.750 -16.700 -4.624 283 HE22 GLN 52 HE22 GLN 52 3.244 -16.734 -5.489 284 H GLN 53 H GLN 53 -1.808 -16.405 -2.213 285 HA GLN 53 HA GLN 53 -3.273 -14.518 -3.764 286 HB2 GLN 53 HB2 GLN 53 -5.001 -16.176 -3.906 287 HB3 GLN 53 HB3 GLN 53 -3.450 -16.953 -4.117 288 HG2 GLN 53 HG2 GLN 53 -4.084 -18.430 -2.613 289 HG3 GLN 53 HG3 GLN 53 -3.988 -17.154 -1.403 290 HE21 GLN 53 HE21 GLN 53 -6.227 -15.659 -2.565 291 HE22 GLN 53 HE22 GLN 53 -7.660 -16.534 -2.143 292 H GLN 54 H GLN 54 -3.404 -15.617 -0.485 293 HA GLN 54 HA GLN 54 -5.765 -14.392 0.359 294 HB2 GLN 54 HB2 GLN 54 -3.217 -14.739 1.929 295 HB3 GLN 54 HB3 GLN 54 -4.818 -14.488 2.603 296 HG2 GLN 54 HG2 GLN 54 -4.540 -16.780 0.802 297 HG3 GLN 54 HG3 GLN 54 -3.647 -16.886 2.318 298 HE21 GLN 54 HE21 GLN 54 -4.814 -18.416 3.277 299 HE22 GLN 54 HE22 GLN 54 -6.481 -18.228 3.734 300 H VAL 55 H VAL 55 -2.423 -13.151 0.401 301 HA VAL 55 HA VAL 55 -3.142 -10.661 1.531 302 HB VAL 55 HB VAL 55 -0.661 -11.511 0.054 303 HG11 VAL 55 HG11 VAL 55 -1.046 -9.037 1.722 304 HG12 VAL 55 HG12 VAL 55 -1.096 -9.045 -0.041 305 HG13 VAL 55 HG13 VAL 55 0.391 -9.497 0.803 306 HG21 VAL 55 HG21 VAL 55 -0.943 -10.943 2.966 307 HG22 VAL 55 HG22 VAL 55 0.278 -11.913 2.136 308 HG23 VAL 55 HG23 VAL 55 -1.371 -12.532 2.310 309 H ALA 56 H ALA 56 -2.546 -11.693 -1.833 310 HA ALA 56 HA ALA 56 -2.725 -9.083 -2.903 311 HB1 ALA 56 HB1 ALA 56 -3.510 -11.541 -4.441 312 HB2 ALA 56 HB2 ALA 56 -1.829 -11.149 -4.080 313 HB3 ALA 56 HB3 ALA 56 -2.806 -10.041 -5.038 314 H TYR 57 H TYR 57 -5.117 -11.365 -1.877 315 HA TYR 57 HA TYR 57 -7.270 -9.926 -3.134 316 HB2 TYR 57 HB2 TYR 57 -7.052 -12.314 -1.367 317 HB3 TYR 57 HB3 TYR 57 -8.611 -11.502 -1.517 318 HD1 TYR 57 HD2 TYR 57 -6.100 -11.681 -4.224 319 HD2 TYR 57 HD1 TYR 57 -9.752 -13.266 -2.692 320 HE1 TYR 57 HE2 TYR 57 -6.507 -12.799 -6.353 321 HE2 TYR 57 HE1 TYR 57 -10.163 -14.391 -4.840 322 HH TYR 57 HH TYR 57 -7.783 -14.786 -7.187 323 H ALA 58 H ALA 58 -5.884 -10.204 0.105 324 HA ALA 58 HA ALA 58 -7.790 -8.588 1.446 325 HB1 ALA 58 HB1 ALA 58 -4.913 -9.071 2.231 326 HB2 ALA 58 HB2 ALA 58 -6.242 -10.202 2.528 327 HB3 ALA 58 HB3 ALA 58 -6.259 -8.611 3.286 328 H LEU 59 H LEU 59 -4.649 -7.979 0.032 329 HA LEU 59 HA LEU 59 -4.655 -5.190 0.825 330 HB2 LEU 59 HB2 LEU 59 -2.743 -7.220 0.318 331 HB3 LEU 59 HB3 LEU 59 -2.444 -5.938 -0.832 332 HG LEU 59 HG LEU 59 -1.942 -4.389 0.857 333 HD11 LEU 59 HD11 LEU 59 -3.374 -6.326 2.623 334 HD12 LEU 59 HD12 LEU 59 -3.735 -4.618 2.357 335 HD13 LEU 59 HD13 LEU 59 -2.313 -5.090 3.294 336 HD21 LEU 59 HD21 LEU 59 -0.986 -7.079 1.765 337 HD22 LEU 59 HD22 LEU 59 -0.276 -5.530 2.230 338 HD23 LEU 59 HD23 LEU 59 -0.218 -6.061 0.546 339 H GLY 60 H GLY 60 -4.703 -7.151 -2.084 340 HA2 GLY 60 HA3 GLY 60 -5.875 -6.184 -4.049 341 HA3 GLY 60 HA2 GLY 60 -4.982 -4.702 -3.700 342 H THR 61 H THR 61 -5.018 -6.928 -5.914 343 HA THR 61 HA THR 61 -2.516 -8.170 -5.875 344 HB THR 61 HB THR 61 -2.854 -8.328 -8.388 345 HG1 THR 61 HG1 THR 61 -4.306 -6.413 -8.383 346 HG21 THR 61 HG21 THR 61 -5.038 -9.298 -6.603 347 HG22 THR 61 HG22 THR 61 -3.484 -10.086 -6.805 348 HG23 THR 61 HG23 THR 61 -4.614 -9.984 -8.162 349 HA PRO 62 HA PRO 62 0.260 -4.910 -6.206 350 HB2 PRO 62 HB2 PRO 62 2.118 -6.743 -7.552 351 HB3 PRO 62 HB3 PRO 62 2.246 -5.962 -5.978 352 HG2 PRO 62 HG2 PRO 62 1.775 -8.594 -6.222 353 HG3 PRO 62 HG3 PRO 62 1.082 -7.631 -4.903 354 HD2 PRO 62 HD2 PRO 62 -0.205 -8.603 -7.421 355 HD3 PRO 62 HD3 PRO 62 -0.869 -8.518 -5.779 356 H LEU 63 H LEU 63 1.865 -3.876 -7.653 357 HA LEU 63 HA LEU 63 0.630 -2.691 -9.792 358 HB2 LEU 63 HB2 LEU 63 3.609 -3.037 -9.600 359 HB3 LEU 63 HB3 LEU 63 2.714 -1.668 -10.237 360 HG LEU 63 HG LEU 63 2.498 -2.427 -7.336 361 HD11 LEU 63 HD11 LEU 63 4.879 -2.193 -7.884 362 HD12 LEU 63 HD12 LEU 63 4.307 -0.891 -6.838 363 HD13 LEU 63 HD13 LEU 63 4.561 -0.592 -8.559 364 HD21 LEU 63 HD21 LEU 63 0.875 -0.838 -8.270 365 HD22 LEU 63 HD22 LEU 63 2.199 0.197 -8.805 366 HD23 LEU 63 HD23 LEU 63 1.930 -0.074 -7.082 367 H MET 64 H MET 64 3.053 -5.267 -9.849 368 HA MET 64 HA MET 64 3.296 -5.653 -12.570 369 HB2 MET 64 HB2 MET 64 3.792 -8.110 -11.867 370 HB3 MET 64 HB3 MET 64 4.860 -6.817 -11.348 371 HG2 MET 64 HG2 MET 64 2.618 -7.744 -9.594 372 HG3 MET 64 HG3 MET 64 4.148 -8.619 -9.635 373 HE1 MET 64 HE1 MET 64 5.592 -8.135 -7.441 374 HE2 MET 64 HE2 MET 64 3.864 -8.233 -7.118 375 HE3 MET 64 HE3 MET 64 4.835 -6.974 -6.345 376 H SER 65 H SER 65 0.528 -6.234 -10.709 377 HA SER 65 HA SER 65 -1.551 -6.915 -11.281 378 HB2 SER 65 HB2 SER 65 -0.921 -5.814 -13.489 379 HB3 SER 65 HB3 SER 65 -0.568 -7.435 -14.083 380 HG SER 65 HG SER 65 -2.684 -7.982 -13.894 381 H ASP 66 H ASP 66 1.052 -8.814 -11.208 382 HA ASP 66 HA ASP 66 -0.612 -11.157 -10.845 383 HB2 ASP 66 HB2 ASP 66 0.154 -11.635 -13.027 384 HB3 ASP 66 HB3 ASP 66 1.796 -11.114 -12.661 385 HA PRO 67 HA PRO 67 1.956 -10.656 -7.212 386 HB2 PRO 67 HB2 PRO 67 0.356 -12.257 -5.682 387 HB3 PRO 67 HB3 PRO 67 -0.006 -10.560 -6.011 388 HG2 PRO 67 HG2 PRO 67 -1.104 -13.018 -7.317 389 HG3 PRO 67 HG3 PRO 67 -1.959 -11.551 -6.798 390 HD2 PRO 67 HD2 PRO 67 -1.258 -11.981 -9.388 391 HD3 PRO 67 HD3 PRO 67 -1.293 -10.358 -8.662 392 H PHE 68 H PHE 68 0.940 -13.554 -8.879 393 HA PHE 68 HA PHE 68 2.521 -15.307 -7.219 394 HB2 PHE 68 HB2 PHE 68 0.993 -15.943 -9.744 395 HB3 PHE 68 HB3 PHE 68 1.549 -17.074 -8.521 396 HD1 PHE 68 HD2 PHE 68 0.770 -15.679 -6.049 397 HD2 PHE 68 HD1 PHE 68 -1.318 -16.162 -9.722 398 HE1 PHE 68 HE2 PHE 68 -1.369 -15.437 -4.856 399 HE2 PHE 68 HE1 PHE 68 -3.461 -15.910 -8.540 400 HZ PHE 68 HZ PHE 68 -3.490 -15.551 -6.104 401 H GLY 69 H GLY 69 3.545 -13.181 -9.311 402 HA2 GLY 69 HA3 GLY 69 5.263 -15.002 -10.849 403 HA3 GLY 69 HA2 GLY 69 4.989 -13.305 -11.216 404 H THR 70 H THR 70 5.312 -12.848 -8.197 405 HA THR 70 HA THR 70 8.251 -12.948 -8.170 406 HB THR 70 HB THR 70 7.279 -10.668 -8.735 407 HG1 THR 70 HG1 THR 70 9.359 -10.686 -7.943 408 HG21 THR 70 HG21 THR 70 5.364 -10.767 -7.221 409 HG22 THR 70 HG22 THR 70 6.378 -9.360 -6.891 410 HG23 THR 70 HG23 THR 70 6.466 -10.774 -5.840 411 H ASN 71 H ASN 71 9.057 -12.409 -5.860 412 HA ASN 71 HA ASN 71 7.297 -13.699 -3.873 413 HB2 ASN 71 HB2 ASN 71 10.279 -14.010 -4.250 414 HB3 ASN 71 HB3 ASN 71 9.462 -14.461 -2.760 415 HD21 ASN 71 HD21 ASN 71 9.973 -16.604 -2.931 416 HD22 ASN 71 HD22 ASN 71 9.270 -17.656 -4.113 417 H THR 72 H THR 72 8.278 -10.858 -4.761 418 HA THR 72 HA THR 72 8.542 -9.816 -2.033 419 HB THR 72 HB THR 72 10.215 -8.871 -4.366 420 HG1 THR 72 HG1 THR 72 10.555 -10.973 -2.669 421 HG21 THR 72 HG21 THR 72 9.633 -7.239 -2.573 422 HG22 THR 72 HG22 THR 72 11.362 -7.544 -2.734 423 HG23 THR 72 HG23 THR 72 10.453 -8.290 -1.419 424 H TRP 73 H TRP 73 6.814 -8.546 -1.778 425 HA TRP 73 HA TRP 73 5.706 -7.174 -4.134 426 HB2 TRP 73 HB2 TRP 73 4.442 -7.918 -1.489 427 HB3 TRP 73 HB3 TRP 73 3.623 -7.007 -2.752 428 HD1 TRP 73 HD TRP 73 5.577 -9.417 -4.584 429 HE1 TRP 73 HE1 TRP 73 4.222 -11.520 -5.178 430 HE3 TRP 73 HE3 TRP 73 1.626 -8.739 -1.423 431 HZ2 TRP 73 HZ2 TRP 73 1.801 -12.725 -4.406 432 HZ3 TRP 73 HZ3 TRP 73 -0.171 -10.416 -1.419 433 HH2 TRP 73 HH TRP 73 -0.081 -12.364 -2.880 434 H PHE 74 H PHE 74 5.193 -4.974 -4.069 435 HA PHE 74 HA PHE 74 6.460 -3.494 -1.858 436 HB2 PHE 74 HB2 PHE 74 6.364 -2.531 -4.719 437 HB3 PHE 74 HB3 PHE 74 7.313 -1.876 -3.388 438 HD1 PHE 74 HD2 PHE 74 8.979 -3.679 -2.309 439 HD2 PHE 74 HD1 PHE 74 7.449 -3.785 -6.278 440 HE1 PHE 74 HE2 PHE 74 10.878 -5.082 -3.004 441 HE2 PHE 74 HE1 PHE 74 9.345 -5.186 -6.976 442 HZ PHE 74 HZ PHE 74 11.064 -5.834 -5.338 443 H TYR 75 H TYR 75 4.913 -2.543 -0.726 444 HA TYR 75 HA TYR 75 2.817 -1.070 -2.190 445 HB2 TYR 75 HB2 TYR 75 2.498 -2.403 0.505 446 HB3 TYR 75 HB3 TYR 75 1.258 -1.531 -0.376 447 HD1 TYR 75 HD1 TYR 75 1.173 -2.483 -2.990 448 HD2 TYR 75 HD2 TYR 75 2.157 -4.657 0.529 449 HE1 TYR 75 HE1 TYR 75 0.487 -4.565 -4.101 450 HE2 TYR 75 HE2 TYR 75 1.476 -6.755 -0.577 451 HH TYR 75 HH TYR 75 -0.088 -7.403 -2.464 452 H VAL 76 H VAL 76 1.812 0.622 -0.452 453 HA VAL 76 HA VAL 76 4.091 1.872 0.896 454 HB VAL 76 HB VAL 76 3.853 2.709 -1.488 455 HG11 VAL 76 HG11 VAL 76 1.410 4.033 -0.347 456 HG12 VAL 76 HG12 VAL 76 1.454 2.832 -1.638 457 HG13 VAL 76 HG13 VAL 76 2.156 4.429 -1.896 458 HG21 VAL 76 HG21 VAL 76 3.656 4.766 0.696 459 HG22 VAL 76 HG22 VAL 76 4.367 4.995 -0.903 460 HG23 VAL 76 HG23 VAL 76 5.117 3.887 0.244 461 H PHE 77 H PHE 77 3.344 3.874 2.091 462 HA PHE 77 HA PHE 77 0.985 3.115 3.624 463 HB2 PHE 77 HB2 PHE 77 3.500 4.556 4.198 464 HB3 PHE 77 HB3 PHE 77 2.072 5.146 5.043 465 HD1 PHE 77 HD2 PHE 77 2.067 1.650 4.187 466 HD2 PHE 77 HD1 PHE 77 3.254 4.480 7.131 467 HE1 PHE 77 HE2 PHE 77 2.242 -0.150 5.841 468 HE2 PHE 77 HE1 PHE 77 3.437 2.676 8.796 469 HZ PHE 77 HZ PHE 77 2.932 0.353 8.150 470 H ARG 78 H ARG 78 -0.306 4.892 4.581 471 HA ARG 78 HA ARG 78 -1.696 6.282 2.637 472 HB2 ARG 78 HB2 ARG 78 -2.670 5.683 4.767 473 HB3 ARG 78 HB1 ARG 78 -1.539 6.720 5.619 474 HG2 ARG 78 HG2 ARG 78 -2.573 8.597 4.150 475 HG3 ARG 78 HG1 ARG 78 -3.886 7.428 3.981 476 HD2 ARG 78 HD2 ARG 78 -4.407 7.476 6.231 477 HD3 ARG 78 HD1 ARG 78 -2.802 8.043 6.691 478 HE ARG 78 HE ARG 78 -4.623 9.835 5.234 479 HH11 ARG 78 HH11 ARG 78 -2.750 9.027 8.050 480 HH12 ARG 78 HH12 ARG 78 -2.948 10.573 8.815 481 HH21 ARG 78 HH21 ARG 78 -4.906 11.907 6.209 482 HH22 ARG 78 HH22 ARG 78 -4.185 12.215 7.764 483 H GLN 79 H GLN 79 -1.529 8.207 1.735 484 HA GLN 79 HA GLN 79 -0.625 10.146 1.002 485 HB2 GLN 79 HB2 GLN 79 -2.091 10.789 2.885 486 HB3 GLN 79 HB3 GLN 79 -0.694 10.737 3.933 487 HG2 GLN 79 HG2 GLN 79 -1.151 13.017 3.353 488 HG3 GLN 79 HG3 GLN 79 0.352 12.519 2.574 489 HE21 GLN 79 HE21 GLN 79 -2.984 13.348 2.096 490 HE22 GLN 79 HE22 GLN 79 -2.908 13.552 0.377 491 H GLN 80 H GLN 80 1.360 8.821 0.535 492 HA GLN 80 HA GLN 80 3.611 9.222 2.258 493 HB2 GLN 80 HB2 GLN 80 4.818 8.244 0.142 494 HB3 GLN 80 HB3 GLN 80 3.867 7.217 1.201 495 HG2 GLN 80 HG2 GLN 80 3.251 6.596 -0.962 496 HG3 GLN 80 HG3 GLN 80 1.942 7.600 -0.372 497 HE21 GLN 80 HE21 GLN 80 5.007 8.857 -1.500 498 HE22 GLN 80 HE22 GLN 80 4.393 9.598 -2.941 499 HA PRO 81 HA PRO 81 5.044 13.008 0.439 500 HB2 PRO 81 HB2 PRO 81 7.663 12.319 1.525 501 HB3 PRO 81 HB3 PRO 81 6.591 13.646 1.972 502 HG2 PRO 81 HG2 PRO 81 7.044 11.561 3.622 503 HG3 PRO 81 HG3 PRO 81 5.479 12.392 3.556 504 HD2 PRO 81 HD2 PRO 81 6.301 9.804 2.273 505 HD3 PRO 81 HD3 PRO 81 4.797 10.203 3.131 506 H GLY 82 H GLY 82 4.972 12.373 -1.715 507 HA2 GLY 82 HA3 GLY 82 7.453 11.175 -2.783 508 HA3 GLY 82 HA2 GLY 82 5.882 11.067 -3.564 509 H HIS 83 H HIS 83 5.641 14.015 -2.576 510 HA HIS 83 HA HIS 83 6.182 15.318 -4.976 511 HB2 HIS 83 HB2 HIS 83 5.735 16.271 -2.167 512 HB3 HIS 83 HB1 HIS 83 6.215 17.422 -3.407 513 HD1 HIS 83 HD1 HIS 83 3.358 15.286 -2.306 514 HD2 HIS 83 HD2 HIS 83 4.248 17.998 -5.327 515 HE1 HIS 83 HE1 HIS 83 1.151 15.882 -3.350 516 HE2 HIS 83 HE2 HIS 83 1.697 17.644 -5.069 517 H GLU 84 H GLU 84 8.080 15.373 -1.962 518 HA GLU 84 HA GLU 84 10.528 15.494 -3.471 519 HB2 GLU 84 HB2 GLU 84 9.991 17.848 -3.401 520 HB3 GLU 84 HB3 GLU 84 9.715 17.775 -1.668 521 HG2 GLU 84 HG2 GLU 84 12.103 17.170 -1.379 522 HG3 GLU 84 HG3 GLU 84 12.330 17.418 -3.110 523 H GLY 85 H GLY 85 12.271 14.795 -2.320 524 HA2 GLY 85 HA3 GLY 85 13.408 13.684 -0.668 525 HA3 GLY 85 HA2 GLY 85 12.414 14.566 0.484 526 H VAL 86 H VAL 86 11.997 11.958 -1.911 527 HA VAL 86 HA VAL 86 9.762 10.785 -0.772 528 HB VAL 86 HB VAL 86 11.949 9.268 -2.138 529 HG11 VAL 86 HG11 VAL 86 9.021 8.665 -1.846 530 HG12 VAL 86 HG12 VAL 86 10.344 7.842 -1.014 531 HG13 VAL 86 HG13 VAL 86 10.179 7.706 -2.768 532 HG21 VAL 86 HG21 VAL 86 9.595 10.716 -3.334 533 HG22 VAL 86 HG22 VAL 86 10.673 9.636 -4.220 534 HG23 VAL 86 HG23 VAL 86 11.297 11.136 -3.534 535 H THR 87 H THR 87 9.393 9.639 0.899 536 HA THR 87 HA THR 87 11.531 8.268 2.341 537 HB THR 87 HB THR 87 11.272 10.518 3.370 538 HG1 THR 87 HG1 THR 87 11.848 8.832 4.765 539 HG21 THR 87 HG21 THR 87 8.961 10.931 2.817 540 HG22 THR 87 HG22 THR 87 9.161 11.023 4.570 541 HG23 THR 87 HG23 THR 87 8.444 9.587 3.831 542 H GLN 88 H GLN 88 9.002 7.820 0.693 543 HA GLN 88 HA GLN 88 6.820 6.836 1.779 544 HB2 GLN 88 HB2 GLN 88 8.572 5.756 -0.378 545 HB3 GLN 88 HB3 GLN 88 7.112 4.912 0.073 546 HG2 GLN 88 HG2 GLN 88 5.812 6.921 -0.389 547 HG3 GLN 88 HG3 GLN 88 7.293 7.737 -0.890 548 HE21 GLN 88 HE21 GLN 88 4.839 7.083 -2.385 549 HE22 GLN 88 HE22 GLN 88 5.368 6.185 -3.770 550 H GLN 89 H GLN 89 6.564 5.760 3.625 551 HA GLN 89 HA GLN 89 8.277 3.615 4.418 552 HB2 GLN 89 HB2 GLN 89 5.533 4.416 5.419 553 HB3 GLN 89 HB3 GLN 89 6.542 3.173 6.150 554 HG2 GLN 89 HG2 GLN 89 8.266 4.844 6.604 555 HG3 GLN 89 HG3 GLN 89 7.235 6.090 5.907 556 HE21 GLN 89 HE21 GLN 89 8.319 5.875 8.593 557 HE22 GLN 89 HE22 GLN 89 6.962 5.867 9.669 558 H THR 90 H THR 90 8.360 1.863 3.227 559 HA THR 90 HA THR 90 6.055 1.164 1.589 560 HB THR 90 HB THR 90 7.811 -0.295 0.418 561 HG1 THR 90 HG1 THR 90 9.657 1.490 1.595 562 HG21 THR 90 HG21 THR 90 8.898 2.137 -0.274 563 HG22 THR 90 HG22 THR 90 7.284 2.537 0.306 564 HG23 THR 90 HG23 THR 90 7.490 1.372 -1.005 565 H LEU 91 H LEU 91 5.145 -0.800 1.561 566 HA LEU 91 HA LEU 91 5.913 -2.655 3.693 567 HB2 LEU 91 HB2 LEU 91 3.488 -1.981 3.416 568 HB3 LEU 91 HB3 LEU 91 3.505 -2.835 1.886 569 HG LEU 91 HG LEU 91 4.286 -4.866 3.221 570 HD11 LEU 91 HD11 LEU 91 3.301 -4.757 5.577 571 HD12 LEU 91 HD12 LEU 91 3.457 -3.002 5.403 572 HD13 LEU 91 HD13 LEU 91 4.888 -4.032 5.293 573 HD21 LEU 91 HD21 LEU 91 2.040 -5.499 3.900 574 HD22 LEU 91 HD22 LEU 91 2.076 -4.796 2.271 575 HD23 LEU 91 HD23 LEU 91 1.496 -3.833 3.634 576 H THR 92 H THR 92 7.517 -3.914 3.017 577 HA THR 92 HA THR 92 7.433 -4.963 0.274 578 HB THR 92 HB THR 92 9.699 -5.166 2.269 579 HG1 THR 92 HG1 THR 92 8.889 -2.985 1.219 580 HG21 THR 92 HG21 THR 92 9.682 -6.846 0.449 581 HG22 THR 92 HG22 THR 92 11.046 -5.731 0.323 582 HG23 THR 92 HG23 THR 92 9.644 -5.535 -0.730 583 H LEU 93 H LEU 93 6.265 -6.787 0.193 584 HA LEU 93 HA LEU 93 6.113 -8.393 2.602 585 HB2 LEU 93 HB2 LEU 93 4.150 -7.726 0.938 586 HB3 LEU 93 HB3 LEU 93 4.660 -9.214 0.148 587 HG LEU 93 HG LEU 93 4.370 -10.379 2.313 588 HD11 LEU 93 HD11 LEU 93 2.775 -8.848 3.808 589 HD12 LEU 93 HD12 LEU 93 3.824 -7.606 3.136 590 HD13 LEU 93 HD13 LEU 93 4.513 -8.951 4.047 591 HD21 LEU 93 HD21 LEU 93 1.824 -8.997 1.732 592 HD22 LEU 93 HD22 LEU 93 2.129 -10.699 2.055 593 HD23 LEU 93 HD23 LEU 93 2.557 -9.999 0.488 594 H THR 94 H THR 94 7.210 -10.158 2.946 595 HA THR 94 HA THR 94 8.838 -11.225 0.778 596 HB THR 94 HB THR 94 9.163 -11.136 3.773 597 HG1 THR 94 HG1 THR 94 10.240 -9.413 3.211 598 HG21 THR 94 HG21 THR 94 9.817 -13.311 3.027 599 HG22 THR 94 HG22 THR 94 11.245 -12.375 3.473 600 HG23 THR 94 HG23 THR 94 10.838 -12.617 1.771 601 H PHE 95 H PHE 95 8.384 -13.219 0.065 602 HA PHE 95 HA PHE 95 6.496 -14.807 1.650 603 HB2 PHE 95 HB2 PHE 95 6.744 -14.381 -1.289 604 HB3 PHE 95 HB3 PHE 95 6.031 -15.870 -0.685 605 HD1 PHE 95 HD2 PHE 95 4.127 -15.693 0.916 606 HD2 PHE 95 HD1 PHE 95 5.481 -12.417 -1.403 607 HE1 PHE 95 HE2 PHE 95 1.975 -14.580 1.276 608 HE2 PHE 95 HE1 PHE 95 3.330 -11.282 -1.050 609 HZ PHE 95 HZ PHE 95 1.577 -12.373 0.296 610 H ASN 96 H ASN 96 6.608 -16.990 1.703 611 HA ASN 96 HA ASN 96 9.227 -18.111 1.880 612 HB2 ASN 96 HB2 ASN 96 6.933 -18.548 3.169 613 HB3 ASN 96 HB3 ASN 96 6.790 -19.808 1.965 614 HD21 ASN 96 HD21 ASN 96 6.943 -20.153 4.685 615 HD22 ASN 96 HD22 ASN 96 8.392 -21.019 5.034 616 H SER 97 H SER 97 9.232 -20.605 1.029 617 HA SER 97 HA SER 97 9.503 -20.415 -1.781 618 HB2 SER 97 HB2 SER 97 9.838 -22.938 -1.600 619 HB3 SER 97 HB3 SER 97 10.938 -21.934 -0.653 620 HG SER 97 HG SER 97 9.002 -23.722 0.169 621 H SER 98 H SER 98 7.019 -21.878 0.302 622 HA SER 98 HA SER 98 5.511 -22.932 -1.891 623 HB2 SER 98 HB2 SER 98 5.398 -23.914 0.368 624 HB3 SER 98 HB3 SER 98 4.693 -22.420 0.981 625 HG SER 98 HG SER 98 3.558 -24.433 -0.593 626 H GLY 99 H GLY 99 5.927 -19.827 -0.651 627 HA2 GLY 99 HA3 GLY 99 4.941 -17.877 -1.557 628 HA3 GLY 99 HA2 GLY 99 3.586 -18.853 -2.114 629 H VAL 100 H VAL 100 4.911 -19.083 1.085 630 HA VAL 100 HA VAL 100 2.371 -18.131 2.203 631 HB VAL 100 HB VAL 100 4.624 -19.595 3.589 632 HG11 VAL 100 HG11 VAL 100 1.733 -19.199 4.348 633 HG12 VAL 100 HG12 VAL 100 3.129 -18.426 5.103 634 HG13 VAL 100 HG13 VAL 100 2.905 -20.170 5.241 635 HG21 VAL 100 HG21 VAL 100 2.183 -20.711 2.226 636 HG22 VAL 100 HG22 VAL 100 3.201 -21.623 3.342 637 HG23 VAL 100 HG23 VAL 100 3.874 -21.023 1.825 638 H LEU 101 H LEU 101 2.335 -16.345 3.588 639 HA LEU 101 HA LEU 101 4.412 -14.482 3.488 640 HB2 LEU 101 HB2 LEU 101 1.867 -14.769 4.870 641 HB3 LEU 101 HB3 LEU 101 3.061 -13.869 5.790 642 HG LEU 101 HG LEU 101 2.046 -13.239 3.038 643 HD11 LEU 101 HD11 LEU 101 1.901 -11.744 5.636 644 HD12 LEU 101 HD12 LEU 101 0.570 -12.625 4.886 645 HD13 LEU 101 HD13 LEU 101 1.244 -11.200 4.093 646 HD21 LEU 101 HD21 LEU 101 4.151 -11.806 4.619 647 HD22 LEU 101 HD22 LEU 101 3.529 -11.343 3.038 648 HD23 LEU 101 HD23 LEU 101 4.466 -12.831 3.224 649 H THR 102 H THR 102 6.224 -14.324 4.473 650 HA THR 102 HA THR 102 6.650 -15.876 6.936 651 HB THR 102 HB THR 102 9.063 -15.824 6.386 652 HG1 THR 102 HG1 THR 102 9.713 -15.026 4.378 653 HG21 THR 102 HG21 THR 102 7.036 -16.975 4.556 654 HG22 THR 102 HG22 THR 102 8.102 -17.802 5.697 655 HG23 THR 102 HG23 THR 102 8.741 -17.183 4.173 656 H ASN 103 H ASN 103 7.384 -12.897 5.241 657 HA ASN 103 HA ASN 103 7.533 -11.522 7.848 658 HB2 ASN 103 HB2 ASN 103 9.534 -11.196 5.616 659 HB3 ASN 103 HB3 ASN 103 9.371 -10.062 6.937 660 HD21 ASN 103 HD21 ASN 103 11.437 -10.372 7.669 661 HD22 ASN 103 HD22 ASN 103 11.941 -11.825 8.468 662 H ILE 104 H ILE 104 7.041 -9.362 7.839 663 HA ILE 104 HA ILE 104 5.860 -8.224 5.379 664 HB ILE 104 HB ILE 104 5.134 -7.192 8.097 665 HG12 ILE 104 HG12 ILE 104 4.701 -9.649 8.185 666 HG13 ILE 104 HG13 ILE 104 3.264 -8.658 8.380 667 HG21 ILE 104 HG21 ILE 104 3.662 -7.246 5.460 668 HG22 ILE 104 HG22 ILE 104 4.475 -5.879 6.210 669 HG23 ILE 104 HG23 ILE 104 3.037 -6.567 6.962 670 HD11 ILE 104 HD11 ILE 104 2.766 -9.086 5.970 671 HD12 ILE 104 HD12 ILE 104 2.698 -10.501 7.026 672 HD13 ILE 104 HD13 ILE 104 4.099 -10.244 5.977 673 H ASP 105 H ASP 105 7.778 -7.123 4.742 674 HA ASP 105 HA ASP 105 9.363 -5.752 6.706 675 HB2 ASP 105 HB2 ASP 105 9.502 -5.971 3.707 676 HB3 ASP 105 HB3 ASP 105 10.569 -4.909 4.607 677 H ASN 106 H ASN 106 8.233 -4.124 7.637 678 HA ASN 106 HA ASN 106 7.195 -2.028 5.849 679 HB2 ASN 106 HB2 ASN 106 5.401 -2.841 7.161 680 HB3 ASN 106 HB3 ASN 106 6.367 -2.853 8.628 681 HD21 ASN 106 HD21 ASN 106 4.872 -1.615 9.735 682 HD22 ASN 106 HD22 ASN 106 4.657 0.074 9.419 683 H LYS 107 H LYS 107 8.704 -0.610 5.582 684 HA LYS 107 HA LYS 107 9.910 0.732 7.854 685 HB2 LYS 107 HB2 LYS 107 12.159 0.289 7.246 686 HB3 LYS 107 HB1 LYS 107 11.350 -1.262 7.179 687 HG2 LYS 107 HG2 LYS 107 11.760 0.451 4.787 688 HG3 LYS 107 HG1 LYS 107 12.929 -0.767 5.293 689 HD2 LYS 107 HD2 LYS 107 11.218 -2.496 5.060 690 HD3 LYS 107 HD1 LYS 107 10.032 -1.275 4.599 691 HE2 LYS 107 HE2 LYS 107 10.826 -2.365 2.615 692 HE3 LYS 107 HE1 LYS 107 11.448 -0.716 2.639 693 HZ1 LYS 107 HZ1 LYS 107 12.983 -3.113 3.496 694 HZ2 LYS 107 HZ2 LYS 107 13.575 -1.528 3.373 695 HZ3 LYS 107 HZ3 LYS 107 13.115 -2.372 1.976 696 HA PRO 108 HA PRO 108 9.719 4.095 4.983 697 HB2 PRO 108 HB2 PRO 108 11.755 5.679 5.849 698 HB3 PRO 108 HB3 PRO 108 10.233 5.488 6.708 699 HG2 PRO 108 HG2 PRO 108 12.902 4.478 7.376 700 HG3 PRO 108 HG3 PRO 108 11.491 4.695 8.422 701 HD2 PRO 108 HD2 PRO 108 12.469 2.269 7.261 702 HD3 PRO 108 HD3 PRO 108 11.038 2.498 8.267 703 H ALA 109 H ALA 109 10.643 5.070 3.161 704 HA ALA 109 HA ALA 109 12.664 3.529 1.847 705 HB1 ALA 109 HB1 ALA 109 11.342 6.076 0.946 706 HB2 ALA 109 HB2 ALA 109 10.766 4.436 0.635 707 HB3 ALA 109 HB3 ALA 109 12.307 4.972 -0.047 708 H LEU 110 H LEU 110 14.322 4.854 0.572 709 HA LEU 110 HA LEU 110 16.395 5.115 2.335 710 HB2 LEU 110 HB2 LEU 110 16.256 6.410 -0.375 711 HB3 LEU 110 HB3 LEU 110 17.696 5.891 0.475 712 HG LEU 110 HG LEU 110 15.516 4.070 -0.555 713 HD11 LEU 110 HD11 LEU 110 17.367 3.278 -2.061 714 HD12 LEU 110 HD12 LEU 110 18.266 4.722 -1.591 715 HD13 LEU 110 HD13 LEU 110 16.717 4.878 -2.424 716 HD21 LEU 110 HD21 LEU 110 16.513 3.096 1.387 717 HD22 LEU 110 HD22 LEU 110 18.135 3.482 0.814 718 HD23 LEU 110 HD23 LEU 110 17.163 2.282 -0.040 719 H SER 111 H SER 111 14.469 7.691 0.963 720 HA SER 111 HA SER 111 14.011 9.780 1.662 721 HB2 SER 111 HB2 SER 111 15.583 8.990 4.040 722 HB3 SER 111 HB3 SER 111 14.633 10.460 3.942 723 HG SER 111 HG SER 111 13.655 7.793 3.679 724 H GLY 112 H GLY 112 16.159 9.314 -0.086 725 HA2 GLY 112 HA3 GLY 112 18.359 10.984 0.752 726 HA3 GLY 112 HA2 GLY 112 18.189 10.195 -0.802 727 H ASN 113 H ASN 113 18.183 13.040 0.771 728 HA ASN 113 HA ASN 113 17.627 14.584 -1.526 729 HB2 ASN 113 HB2 ASN 113 15.290 14.121 -1.034 730 HB3 ASN 113 HB3 ASN 113 15.508 14.638 0.635 731 HD21 ASN 113 HD21 ASN 113 15.536 15.727 -2.706 732 HD22 ASN 113 HD22 ASN 113 15.162 17.381 -2.364 Start of MODEL 18 1 H1 GLY 17 H1 GLY 17 -13.508 15.105 23.976 2 H2 GLY 17 H2 GLY 17 -13.056 16.550 24.742 3 H3 GLY 17 H3 GLY 17 -14.421 15.700 25.274 4 HA2 GLY 17 HA2 GLY 17 -13.115 13.908 26.086 5 HA3 GLY 17 HA3 GLY 17 -11.671 14.604 25.361 6 H SER 18 H SER 18 -10.475 14.901 27.168 7 HA SER 18 HA SER 18 -11.425 16.019 29.582 8 HB2 SER 18 HB2 SER 18 -8.601 15.960 28.489 9 HB3 SER 18 HB3 SER 18 -9.058 16.218 30.174 10 HG SER 18 HG SER 18 -10.260 14.028 29.580 11 H HIS 19 H HIS 19 -11.198 18.109 30.428 12 HA HIS 19 HA HIS 19 -11.578 20.124 28.381 13 HB2 HIS 19 HB2 HIS 19 -13.077 19.856 30.405 14 HB3 HIS 19 HB1 HIS 19 -11.760 20.516 31.371 15 HD1 HIS 19 HD1 HIS 19 -12.739 22.747 32.000 16 HD2 HIS 19 HD2 HIS 19 -12.938 21.998 27.911 17 HE1 HIS 19 HE1 HIS 19 -13.507 24.903 30.948 18 HE2 HIS 19 HE2 HIS 19 -13.786 24.371 28.496 19 H MET 20 H MET 20 -9.064 19.472 28.149 20 HA MET 20 HA MET 20 -7.794 21.954 28.246 21 HB2 MET 20 HB2 MET 20 -7.500 21.348 30.674 22 HB3 MET 20 HB3 MET 20 -6.544 19.963 30.163 23 HG2 MET 20 HG2 MET 20 -4.848 21.365 29.261 24 HG3 MET 20 HG3 MET 20 -5.853 22.800 29.442 25 HE1 MET 20 HE1 MET 20 -6.309 24.032 31.668 26 HE2 MET 20 HE2 MET 20 -5.899 23.392 33.260 27 HE3 MET 20 HE3 MET 20 -7.106 22.576 32.264 28 H SER 21 H SER 21 -8.416 20.198 26.317 29 HA SER 21 HA SER 21 -6.238 18.395 25.758 30 HB2 SER 21 HB2 SER 21 -8.636 17.927 25.163 31 HB3 SER 21 HB3 SER 21 -8.540 19.212 23.963 32 HG SER 21 HG SER 21 -6.773 16.984 23.997 33 H THR 22 H THR 22 -4.611 20.126 25.845 34 HA THR 22 HA THR 22 -4.504 21.941 23.618 35 HB THR 22 HB THR 22 -3.483 22.656 25.690 36 HG1 THR 22 HG1 THR 22 -1.102 22.388 24.395 37 HG21 THR 22 HG21 THR 22 -1.460 21.593 26.592 38 HG22 THR 22 HG22 THR 22 -1.607 20.308 25.394 39 HG23 THR 22 HG23 THR 22 -2.846 20.505 26.633 40 H LEU 23 H LEU 23 -4.154 21.215 21.662 41 HA LEU 23 HA LEU 23 -2.559 18.770 21.331 42 HB2 LEU 23 HB2 LEU 23 -4.641 20.004 19.523 43 HB3 LEU 23 HB3 LEU 23 -3.718 18.562 19.147 44 HG LEU 23 HG LEU 23 -5.661 18.835 21.441 45 HD11 LEU 23 HD11 LEU 23 -5.903 17.368 18.821 46 HD12 LEU 23 HD12 LEU 23 -6.790 18.817 19.290 47 HD13 LEU 23 HD13 LEU 23 -7.061 17.301 20.150 48 HD21 LEU 23 HD21 LEU 23 -3.849 17.305 21.959 49 HD22 LEU 23 HD22 LEU 23 -4.101 16.460 20.433 50 HD23 LEU 23 HD23 LEU 23 -5.345 16.413 21.682 51 H GLU 24 H GLU 24 -0.882 18.699 19.929 52 HA GLU 24 HA GLU 24 0.332 21.194 19.169 53 HB2 GLU 24 HB2 GLU 24 1.199 18.364 18.551 54 HB3 GLU 24 HB3 GLU 24 2.186 19.809 18.401 55 HG2 GLU 24 HG2 GLU 24 1.088 18.677 20.965 56 HG3 GLU 24 HG3 GLU 24 2.748 18.537 20.392 57 H ARG 25 H ARG 25 -1.995 21.156 17.895 58 HA ARG 25 HA ARG 25 -3.006 21.445 15.885 59 HB2 ARG 25 HB2 ARG 25 -0.688 22.349 15.283 60 HB3 ARG 25 HB1 ARG 25 -0.400 20.794 14.520 61 HG2 ARG 25 HG2 ARG 25 -2.205 21.161 12.979 62 HG3 ARG 25 HG1 ARG 25 -2.657 22.654 13.809 63 HD2 ARG 25 HD2 ARG 25 -0.392 23.545 13.283 64 HD3 ARG 25 HD1 ARG 25 -0.098 22.101 12.314 65 HE ARG 25 HE ARG 25 -2.319 22.990 11.174 66 HH11 ARG 25 HH11 ARG 25 0.490 24.766 12.252 67 HH12 ARG 25 HH12 ARG 25 0.379 25.971 11.005 68 HH21 ARG 25 HH21 ARG 25 -2.528 24.590 9.562 69 HH22 ARG 25 HH22 ARG 25 -1.350 25.866 9.466 70 H VAL 26 H VAL 26 -4.029 20.170 14.247 71 HA VAL 26 HA VAL 26 -4.013 17.390 14.994 72 HB VAL 26 HB VAL 26 -5.923 17.177 13.384 73 HG11 VAL 26 HG11 VAL 26 -6.144 19.331 15.486 74 HG12 VAL 26 HG12 VAL 26 -6.303 17.595 15.749 75 HG13 VAL 26 HG13 VAL 26 -7.496 18.453 14.774 76 HG21 VAL 26 HG21 VAL 26 -5.355 18.957 11.835 77 HG22 VAL 26 HG22 VAL 26 -5.544 20.160 13.111 78 HG23 VAL 26 HG23 VAL 26 -6.946 19.255 12.538 79 H VAL 27 H VAL 27 -2.882 15.868 14.086 80 HA VAL 27 HA VAL 27 -1.531 16.247 11.569 81 HB VAL 27 HB VAL 27 -0.662 15.014 13.683 82 HG11 VAL 27 HG11 VAL 27 -2.502 13.505 14.019 83 HG12 VAL 27 HG12 VAL 27 -1.030 12.589 13.688 84 HG13 VAL 27 HG13 VAL 27 -2.247 12.791 12.426 85 HG21 VAL 27 HG21 VAL 27 0.415 15.130 11.380 86 HG22 VAL 27 HG22 VAL 27 -0.220 13.502 11.130 87 HG23 VAL 27 HG23 VAL 27 0.910 13.816 12.443 88 H TYR 28 H TYR 28 -1.676 13.863 10.270 89 HA TYR 28 HA TYR 28 -3.966 13.868 8.787 90 HB2 TYR 28 HB2 TYR 28 -2.185 11.521 9.465 91 HB3 TYR 28 HB3 TYR 28 -3.418 11.488 8.210 92 HD1 TYR 28 HD2 TYR 28 -3.190 13.040 6.246 93 HD2 TYR 28 HD1 TYR 28 -0.048 12.457 9.048 94 HE1 TYR 28 HE2 TYR 28 -1.581 13.950 4.620 95 HE2 TYR 28 HE1 TYR 28 1.570 13.365 7.436 96 HH TYR 28 HH TYR 28 1.791 13.675 5.034 97 H ARG 29 H ARG 29 -6.006 13.338 9.090 98 HA ARG 29 HA ARG 29 -6.845 12.246 11.619 99 HB2 ARG 29 HB2 ARG 29 -8.306 13.356 9.225 100 HB3 ARG 29 HB1 ARG 29 -9.157 12.614 10.572 101 HG2 ARG 29 HG2 ARG 29 -8.258 14.263 12.095 102 HG3 ARG 29 HG1 ARG 29 -7.304 14.976 10.795 103 HD2 ARG 29 HD2 ARG 29 -9.257 15.727 9.661 104 HD3 ARG 29 HD1 ARG 29 -10.306 14.774 10.712 105 HE ARG 29 HE ARG 29 -9.446 16.301 12.542 106 HH11 ARG 29 HH11 ARG 29 -9.790 17.344 9.209 107 HH12 ARG 29 HH12 ARG 29 -10.009 19.022 9.629 108 HH21 ARG 29 HH21 ARG 29 -9.716 18.480 13.095 109 HH22 ARG 29 HH22 ARG 29 -9.937 19.678 11.847 110 HA PRO 30 HA PRO 30 -7.781 8.001 10.558 111 HB2 PRO 30 HB2 PRO 30 -10.483 8.684 11.619 112 HB3 PRO 30 HB3 PRO 30 -9.415 7.346 12.030 113 HG2 PRO 30 HG2 PRO 30 -9.681 9.416 13.667 114 HG3 PRO 30 HG3 PRO 30 -8.122 8.610 13.438 115 HD2 PRO 30 HD2 PRO 30 -9.057 11.220 12.404 116 HD3 PRO 30 HD3 PRO 30 -7.437 10.703 12.884 117 H ASP 31 H ASP 31 -9.048 6.811 9.050 118 HA ASP 31 HA ASP 31 -10.007 6.482 7.046 119 HB2 ASP 31 HB2 ASP 31 -12.062 7.346 7.941 120 HB3 ASP 31 HB3 ASP 31 -11.539 9.004 7.686 121 H ILE 32 H ILE 32 -8.599 6.582 5.576 122 HA ILE 32 HA ILE 32 -6.630 8.515 5.405 123 HB ILE 32 HB ILE 32 -7.403 6.582 3.224 124 HG12 ILE 32 HG12 ILE 32 -6.939 5.536 5.418 125 HG13 ILE 32 HG13 ILE 32 -5.709 5.142 4.218 126 HG21 ILE 32 HG21 ILE 32 -4.961 6.825 2.663 127 HG22 ILE 32 HG22 ILE 32 -4.936 8.243 3.715 128 HG23 ILE 32 HG23 ILE 32 -5.971 8.218 2.282 129 HD11 ILE 32 HD11 ILE 32 -4.752 5.668 6.397 130 HD12 ILE 32 HD12 ILE 32 -5.461 7.278 6.315 131 HD13 ILE 32 HD13 ILE 32 -4.226 6.794 5.149 132 H ASN 33 H ASN 33 -6.191 10.201 4.209 133 HA ASN 33 HA ASN 33 -8.259 11.761 3.076 134 HB2 ASN 33 HB2 ASN 33 -6.513 13.360 2.632 135 HB3 ASN 33 HB3 ASN 33 -6.164 12.603 4.174 136 HD21 ASN 33 HD21 ASN 33 -5.119 13.197 1.053 137 HD22 ASN 33 HD22 ASN 33 -3.604 12.375 1.146 138 H GLN 34 H GLN 34 -6.429 9.217 1.865 139 HA GLN 34 HA GLN 34 -7.289 9.820 -0.861 140 HB2 GLN 34 HB2 GLN 34 -5.209 9.047 -1.798 141 HB3 GLN 34 HB3 GLN 34 -4.848 10.311 -0.639 142 HG2 GLN 34 HG2 GLN 34 -4.016 8.744 0.939 143 HG3 GLN 34 HG3 GLN 34 -4.656 7.384 0.001 144 HE21 GLN 34 HE21 GLN 34 -1.949 7.976 0.849 145 HE22 GLN 34 HE22 GLN 34 -0.994 8.024 -0.585 146 H GLY 35 H GLY 35 -6.923 7.651 -2.207 147 HA2 GLY 35 HA3 GLY 35 -7.008 5.205 -0.734 148 HA3 GLY 35 HA2 GLY 35 -8.616 5.691 -1.260 149 H ASN 36 H ASN 36 -5.731 6.404 -3.061 150 HA ASN 36 HA ASN 36 -6.879 5.226 -5.415 151 HB2 ASN 36 HB2 ASN 36 -4.143 6.458 -5.058 152 HB3 ASN 36 HB3 ASN 36 -4.978 6.188 -6.573 153 HD21 ASN 36 HD21 ASN 36 -6.273 7.696 -7.308 154 HD22 ASN 36 HD22 ASN 36 -6.670 9.144 -6.449 155 H TYR 37 H TYR 37 -4.530 4.332 -3.043 156 HA TYR 37 HA TYR 37 -4.251 1.734 -4.274 157 HB2 TYR 37 HB2 TYR 37 -1.737 1.915 -3.729 158 HB3 TYR 37 HB3 TYR 37 -2.317 2.674 -5.199 159 HD1 TYR 37 HD2 TYR 37 -2.154 3.701 -1.604 160 HD2 TYR 37 HD1 TYR 37 -1.164 4.624 -5.634 161 HE1 TYR 37 HE2 TYR 37 -1.140 5.806 -0.860 162 HE2 TYR 37 HE1 TYR 37 -0.141 6.740 -4.901 163 HH TYR 37 HH TYR 37 -0.265 8.291 -3.019 164 H LEU 38 H LEU 38 -2.341 0.712 -2.524 165 HA LEU 38 HA LEU 38 -3.887 0.295 -0.183 166 HB2 LEU 38 HB2 LEU 38 -2.275 -1.333 -1.272 167 HB3 LEU 38 HB3 LEU 38 -0.978 -0.409 -0.535 168 HG LEU 38 HG LEU 38 -2.389 -0.865 1.655 169 HD11 LEU 38 HD11 LEU 38 -4.231 -1.978 0.658 170 HD12 LEU 38 HD12 LEU 38 -3.304 -3.187 1.547 171 HD13 LEU 38 HD13 LEU 38 -3.170 -3.080 -0.208 172 HD21 LEU 38 HD21 LEU 38 -0.080 -1.522 1.337 173 HD22 LEU 38 HD22 LEU 38 -0.599 -2.911 0.383 174 HD23 LEU 38 HD23 LEU 38 -1.009 -2.814 2.095 175 H THR 39 H THR 39 -3.289 0.740 1.971 176 HA THR 39 HA THR 39 -1.415 2.952 2.383 177 HB THR 39 HB THR 39 -2.893 3.950 4.014 178 HG1 THR 39 HG1 THR 39 -4.855 1.980 3.329 179 HG21 THR 39 HG21 THR 39 -3.224 4.092 1.377 180 HG22 THR 39 HG22 THR 39 -4.232 4.990 2.511 181 HG23 THR 39 HG23 THR 39 -4.814 3.473 1.820 182 H ALA 40 H ALA 40 -1.200 3.210 4.956 183 HA ALA 40 HA ALA 40 0.068 0.865 5.944 184 HB1 ALA 40 HB1 ALA 40 -0.852 3.326 7.437 185 HB2 ALA 40 HB2 ALA 40 0.714 3.121 6.653 186 HB3 ALA 40 HB3 ALA 40 0.284 2.118 8.038 187 H ASN 41 H ASN 41 -3.042 2.321 6.362 188 HA ASN 41 HA ASN 41 -4.038 0.856 8.530 189 HB2 ASN 41 HB2 ASN 41 -5.493 2.080 6.176 190 HB3 ASN 41 HB3 ASN 41 -6.216 1.640 7.716 191 HD21 ASN 41 HD21 ASN 41 -6.226 3.136 9.304 192 HD22 ASN 41 HD22 ASN 41 -5.332 4.622 9.259 193 H ASP 42 H ASP 42 -4.162 0.356 5.072 194 HA ASP 42 HA ASP 42 -5.679 -2.039 5.137 195 HB2 ASP 42 HB2 ASP 42 -3.886 -0.867 3.020 196 HB3 ASP 42 HB3 ASP 42 -4.823 -2.337 2.791 197 H VAL 43 H VAL 43 -2.267 -1.369 5.460 198 HA VAL 43 HA VAL 43 -1.312 -3.992 5.104 199 HB VAL 43 HB VAL 43 -0.250 -1.751 6.828 200 HG11 VAL 43 HG11 VAL 43 1.077 -4.352 6.106 201 HG12 VAL 43 HG12 VAL 43 0.467 -3.932 7.713 202 HG13 VAL 43 HG13 VAL 43 1.811 -3.024 7.011 203 HG21 VAL 43 HG21 VAL 43 0.941 -2.869 4.351 204 HG22 VAL 43 HG22 VAL 43 1.226 -1.296 5.091 205 HG23 VAL 43 HG23 VAL 43 -0.305 -1.625 4.268 206 H SER 44 H SER 44 -2.718 -2.349 7.862 207 HA SER 44 HA SER 44 -2.271 -4.350 9.787 208 HB2 SER 44 HB2 SER 44 -2.882 -2.021 10.275 209 HB3 SER 44 HB3 SER 44 -4.502 -2.324 9.666 210 HG SER 44 HG SER 44 -4.813 -3.807 11.333 211 H LYS 45 H LYS 45 -4.354 -4.201 7.119 212 HA LYS 45 HA LYS 45 -6.459 -5.880 8.058 213 HB2 LYS 45 HB2 LYS 45 -5.605 -5.040 5.309 214 HB3 LYS 45 HB1 LYS 45 -7.021 -6.041 5.615 215 HG2 LYS 45 HG2 LYS 45 -8.044 -4.280 6.898 216 HG3 LYS 45 HG1 LYS 45 -6.581 -3.298 6.797 217 HD2 LYS 45 HD2 LYS 45 -8.280 -2.541 5.213 218 HD3 LYS 45 HD1 LYS 45 -6.848 -3.152 4.378 219 HE2 LYS 45 HE2 LYS 45 -8.064 -5.371 4.283 220 HE3 LYS 45 HE1 LYS 45 -9.510 -4.469 4.737 221 HZ1 LYS 45 HZ1 LYS 45 -9.197 -4.787 2.299 222 HZ2 LYS 45 HZ2 LYS 45 -7.850 -3.761 2.386 223 HZ3 LYS 45 HZ3 LYS 45 -9.390 -3.173 2.779 224 H ILE 46 H ILE 46 -3.347 -6.465 6.539 225 HA ILE 46 HA ILE 46 -4.021 -9.255 6.172 226 HB ILE 46 HB ILE 46 -1.774 -9.518 5.232 227 HG12 ILE 46 HG12 ILE 46 -1.505 -6.508 5.374 228 HG13 ILE 46 HG13 ILE 46 -0.723 -7.615 6.503 229 HG21 ILE 46 HG21 ILE 46 -2.230 -8.417 3.153 230 HG22 ILE 46 HG22 ILE 46 -3.342 -7.304 3.952 231 HG23 ILE 46 HG23 ILE 46 -3.725 -9.025 3.864 232 HD11 ILE 46 HD11 ILE 46 -0.356 -7.930 3.553 233 HD12 ILE 46 HD12 ILE 46 0.679 -8.482 4.882 234 HD13 ILE 46 HD13 ILE 46 0.608 -6.762 4.477 235 H ARG 47 H ARG 47 -1.914 -10.617 6.615 236 HA ARG 47 HA ARG 47 -0.597 -10.173 9.083 237 HB2 ARG 47 HB2 ARG 47 -1.701 -11.922 10.411 238 HB3 ARG 47 HB1 ARG 47 -2.836 -10.645 10.005 239 HG2 ARG 47 HG2 ARG 47 -2.665 -13.084 8.292 240 HG3 ARG 47 HG1 ARG 47 -3.551 -13.138 9.818 241 HD2 ARG 47 HD2 ARG 47 -4.054 -11.204 7.547 242 HD3 ARG 47 HD1 ARG 47 -5.024 -12.634 7.913 243 HE ARG 47 HE ARG 47 -4.746 -10.694 10.059 244 HH11 ARG 47 HH11 ARG 47 -6.721 -11.873 7.404 245 HH12 ARG 47 HH12 ARG 47 -8.172 -11.120 8.000 246 HH21 ARG 47 HH21 ARG 47 -6.666 -9.740 10.844 247 HH22 ARG 47 HH22 ARG 47 -8.147 -9.941 9.954 248 H VAL 48 H VAL 48 0.880 -11.777 9.554 249 HA VAL 48 HA VAL 48 1.867 -13.146 7.264 250 HB VAL 48 HB VAL 48 2.862 -13.819 9.971 251 HG11 VAL 48 HG11 VAL 48 4.199 -13.032 7.392 252 HG12 VAL 48 HG12 VAL 48 3.956 -14.684 7.973 253 HG13 VAL 48 HG13 VAL 48 5.026 -13.586 8.850 254 HG21 VAL 48 HG21 VAL 48 3.041 -11.091 8.742 255 HG22 VAL 48 HG22 VAL 48 4.163 -11.659 9.981 256 HG23 VAL 48 HG23 VAL 48 2.441 -11.517 10.345 257 H GLY 49 H GLY 49 2.031 -15.408 6.962 258 HA2 GLY 49 HA3 GLY 49 1.629 -17.644 7.828 259 HA3 GLY 49 HA2 GLY 49 0.247 -16.987 8.695 260 H MET 50 H MET 50 -0.642 -15.363 6.376 261 HA MET 50 HA MET 50 -1.928 -17.532 4.964 262 HB2 MET 50 HB2 MET 50 -3.200 -15.759 3.759 263 HB3 MET 50 HB3 MET 50 -3.467 -15.829 5.486 264 HG2 MET 50 HG2 MET 50 -1.955 -13.891 5.733 265 HG3 MET 50 HG3 MET 50 -1.799 -13.842 3.983 266 HE1 MET 50 HE1 MET 50 -3.814 -10.937 3.723 267 HE2 MET 50 HE2 MET 50 -2.249 -11.519 4.322 268 HE3 MET 50 HE3 MET 50 -3.460 -10.922 5.457 269 H THR 51 H THR 51 -2.296 -16.996 2.492 270 HA THR 51 HA THR 51 0.390 -17.434 1.506 271 HB THR 51 HB THR 51 -0.567 -18.463 -0.393 272 HG1 THR 51 HG1 THR 51 -2.774 -18.300 -0.879 273 HG21 THR 51 HG21 THR 51 -2.049 -19.000 2.127 274 HG22 THR 51 HG22 THR 51 -0.720 -19.918 1.413 275 HG23 THR 51 HG23 THR 51 -2.325 -19.955 0.674 276 H GLN 52 H GLN 52 0.454 -16.812 -1.001 277 HA GLN 52 HA GLN 52 0.569 -14.013 -1.173 278 HB2 GLN 52 HB2 GLN 52 0.431 -16.007 -3.440 279 HB3 GLN 52 HB3 GLN 52 0.996 -14.351 -3.531 280 HG2 GLN 52 HG2 GLN 52 2.765 -14.974 -1.858 281 HG3 GLN 52 HG3 GLN 52 2.283 -16.649 -2.115 282 HE21 GLN 52 HE21 GLN 52 3.781 -13.852 -3.508 283 HE22 GLN 52 HE22 GLN 52 4.519 -14.657 -4.850 284 H GLN 53 H GLN 53 -1.899 -16.351 -2.227 285 HA GLN 53 HA GLN 53 -3.371 -14.455 -3.768 286 HB2 GLN 53 HB2 GLN 53 -5.151 -16.068 -3.825 287 HB3 GLN 53 HB3 GLN 53 -3.638 -16.914 -4.048 288 HG2 GLN 53 HG2 GLN 53 -3.741 -17.845 -1.939 289 HG3 GLN 53 HG3 GLN 53 -4.956 -16.707 -1.376 290 HE21 GLN 53 HE21 GLN 53 -7.089 -17.000 -1.936 291 HE22 GLN 53 HE22 GLN 53 -7.677 -18.494 -2.613 292 H GLN 54 H GLN 54 -3.458 -15.530 -0.470 293 HA GLN 54 HA GLN 54 -5.795 -14.298 0.396 294 HB2 GLN 54 HB2 GLN 54 -3.217 -14.610 1.933 295 HB3 GLN 54 HB3 GLN 54 -4.813 -14.375 2.626 296 HG2 GLN 54 HG2 GLN 54 -4.582 -16.679 0.843 297 HG3 GLN 54 HG3 GLN 54 -3.591 -16.766 2.297 298 HE21 GLN 54 HE21 GLN 54 -4.712 -18.322 3.321 299 HE22 GLN 54 HE22 GLN 54 -6.344 -18.137 3.879 300 H VAL 55 H VAL 55 -2.449 -13.081 0.533 301 HA VAL 55 HA VAL 55 -3.145 -10.530 1.505 302 HB VAL 55 HB VAL 55 -0.661 -11.472 0.084 303 HG11 VAL 55 HG11 VAL 55 -1.058 -8.974 1.712 304 HG12 VAL 55 HG12 VAL 55 -1.034 -9.015 -0.051 305 HG13 VAL 55 HG13 VAL 55 0.409 -9.468 0.863 306 HG21 VAL 55 HG21 VAL 55 -0.998 -10.894 2.994 307 HG22 VAL 55 HG22 VAL 55 0.254 -11.854 2.193 308 HG23 VAL 55 HG23 VAL 55 -1.396 -12.485 2.325 309 H ALA 56 H ALA 56 -2.532 -11.768 -1.758 310 HA ALA 56 HA ALA 56 -2.552 -9.323 -3.112 311 HB1 ALA 56 HB1 ALA 56 -1.838 -11.123 -4.400 312 HB2 ALA 56 HB2 ALA 56 -3.434 -10.776 -5.059 313 HB3 ALA 56 HB3 ALA 56 -3.216 -12.123 -3.943 314 H TYR 57 H TYR 57 -5.142 -11.337 -1.928 315 HA TYR 57 HA TYR 57 -7.129 -9.792 -3.323 316 HB2 TYR 57 HB2 TYR 57 -7.129 -12.201 -1.584 317 HB3 TYR 57 HB3 TYR 57 -8.641 -11.310 -1.808 318 HD1 TYR 57 HD2 TYR 57 -5.901 -11.702 -4.302 319 HD2 TYR 57 HD1 TYR 57 -9.858 -12.832 -3.181 320 HE1 TYR 57 HE2 TYR 57 -6.226 -12.726 -6.489 321 HE2 TYR 57 HE1 TYR 57 -10.184 -13.864 -5.392 322 HH TYR 57 HH TYR 57 -7.590 -14.418 -7.553 323 H ALA 58 H ALA 58 -5.934 -10.096 -0.007 324 HA ALA 58 HA ALA 58 -7.805 -8.321 1.170 325 HB1 ALA 58 HB1 ALA 58 -5.014 -8.976 2.125 326 HB2 ALA 58 HB2 ALA 58 -6.455 -9.955 2.427 327 HB3 ALA 58 HB3 ALA 58 -6.351 -8.323 3.093 328 H LEU 59 H LEU 59 -4.544 -7.908 -0.092 329 HA LEU 59 HA LEU 59 -4.514 -5.098 0.626 330 HB2 LEU 59 HB2 LEU 59 -2.609 -7.188 0.332 331 HB3 LEU 59 HB3 LEU 59 -2.167 -5.899 -0.760 332 HG LEU 59 HG LEU 59 -1.834 -4.372 0.982 333 HD11 LEU 59 HD11 LEU 59 -3.464 -6.292 2.607 334 HD12 LEU 59 HD12 LEU 59 -3.823 -4.599 2.235 335 HD13 LEU 59 HD13 LEU 59 -2.510 -5.005 3.347 336 HD21 LEU 59 HD21 LEU 59 -1.026 -7.096 1.962 337 HD22 LEU 59 HD22 LEU 59 -0.371 -5.569 2.558 338 HD23 LEU 59 HD23 LEU 59 -0.093 -6.056 0.884 339 H GLY 60 H GLY 60 -4.793 -7.126 -2.174 340 HA2 GLY 60 HA3 GLY 60 -5.693 -6.260 -4.230 341 HA3 GLY 60 HA2 GLY 60 -4.908 -4.725 -3.871 342 H THR 61 H THR 61 -4.744 -7.132 -5.967 343 HA THR 61 HA THR 61 -2.099 -8.021 -5.895 344 HB THR 61 HB THR 61 -2.390 -8.460 -8.347 345 HG1 THR 61 HG1 THR 61 -3.818 -6.936 -9.052 346 HG21 THR 61 HG21 THR 61 -3.097 -10.010 -6.482 347 HG22 THR 61 HG22 THR 61 -3.927 -10.247 -8.022 348 HG23 THR 61 HG23 THR 61 -4.738 -9.399 -6.706 349 HA PRO 62 HA PRO 62 0.176 -4.392 -6.689 350 HB2 PRO 62 HB2 PRO 62 2.291 -6.160 -7.744 351 HB3 PRO 62 HB3 PRO 62 2.310 -5.109 -6.325 352 HG2 PRO 62 HG2 PRO 62 2.217 -7.778 -6.080 353 HG3 PRO 62 HG3 PRO 62 1.347 -6.711 -4.960 354 HD2 PRO 62 HD2 PRO 62 0.297 -8.251 -7.309 355 HD3 PRO 62 HD3 PRO 62 -0.408 -8.060 -5.691 356 H LEU 63 H LEU 63 1.385 -3.310 -8.379 357 HA LEU 63 HA LEU 63 -0.276 -2.803 -10.488 358 HB2 LEU 63 HB2 LEU 63 2.683 -2.286 -10.553 359 HB3 LEU 63 HB3 LEU 63 1.406 -1.336 -11.288 360 HG LEU 63 HG LEU 63 1.268 -1.610 -8.347 361 HD11 LEU 63 HD11 LEU 63 3.688 -1.376 -8.803 362 HD12 LEU 63 HD12 LEU 63 3.001 -0.000 -7.930 363 HD13 LEU 63 HD13 LEU 63 3.348 0.134 -9.656 364 HD21 LEU 63 HD21 LEU 63 -0.319 -0.250 -9.624 365 HD22 LEU 63 HD22 LEU 63 1.015 0.728 -10.239 366 HD23 LEU 63 HD23 LEU 63 0.635 0.737 -8.516 367 H MET 64 H MET 64 2.497 -4.944 -10.403 368 HA MET 64 HA MET 64 2.739 -5.456 -13.151 369 HB2 MET 64 HB2 MET 64 3.744 -7.680 -12.308 370 HB3 MET 64 HB3 MET 64 4.541 -6.173 -11.888 371 HG2 MET 64 HG2 MET 64 3.362 -6.246 -9.692 372 HG3 MET 64 HG3 MET 64 2.770 -7.857 -10.115 373 HE1 MET 64 HE1 MET 64 5.258 -8.778 -7.471 374 HE2 MET 64 HE2 MET 64 3.666 -8.060 -7.783 375 HE3 MET 64 HE3 MET 64 5.049 -7.021 -7.438 376 H SER 65 H SER 65 0.155 -6.157 -11.198 377 HA SER 65 HA SER 65 -1.748 -7.338 -11.393 378 HB2 SER 65 HB2 SER 65 -2.601 -7.850 -13.633 379 HB3 SER 65 HB3 SER 65 -1.912 -6.232 -13.565 380 HG SER 65 HG SER 65 0.073 -7.711 -14.302 381 H ASP 66 H ASP 66 1.045 -8.792 -11.362 382 HA ASP 66 HA ASP 66 -0.191 -11.417 -11.165 383 HB2 ASP 66 HB2 ASP 66 0.740 -11.758 -13.233 384 HB3 ASP 66 HB3 ASP 66 2.125 -10.715 -12.924 385 HA PRO 67 HA PRO 67 2.091 -10.537 -7.403 386 HB2 PRO 67 HB2 PRO 67 0.412 -11.924 -5.808 387 HB3 PRO 67 HB3 PRO 67 0.031 -10.304 -6.407 388 HG2 PRO 67 HG2 PRO 67 -0.892 -12.969 -7.433 389 HG3 PRO 67 HG3 PRO 67 -1.840 -11.490 -7.158 390 HD2 PRO 67 HD2 PRO 67 -0.905 -12.214 -9.630 391 HD3 PRO 67 HD3 PRO 67 -1.123 -10.524 -9.128 392 H PHE 68 H PHE 68 0.988 -13.681 -8.629 393 HA PHE 68 HA PHE 68 2.576 -15.184 -6.762 394 HB2 PHE 68 HB2 PHE 68 0.628 -15.780 -8.906 395 HB3 PHE 68 HB3 PHE 68 1.827 -17.019 -8.584 396 HD1 PHE 68 HD2 PHE 68 -0.851 -14.997 -7.048 397 HD2 PHE 68 HD1 PHE 68 1.650 -18.419 -6.713 398 HE1 PHE 68 HE2 PHE 68 -2.207 -15.796 -5.161 399 HE2 PHE 68 HE1 PHE 68 0.302 -19.227 -4.821 400 HZ PHE 68 HZ PHE 68 -1.631 -17.914 -4.042 401 H GLY 69 H GLY 69 3.522 -13.427 -9.330 402 HA2 GLY 69 HA3 GLY 69 5.294 -15.396 -10.532 403 HA3 GLY 69 HA2 GLY 69 5.166 -13.697 -10.975 404 H THR 70 H THR 70 5.353 -13.040 -8.049 405 HA THR 70 HA THR 70 8.263 -13.370 -7.762 406 HB THR 70 HB THR 70 7.546 -11.062 -8.532 407 HG1 THR 70 HG1 THR 70 9.382 -10.655 -7.549 408 HG21 THR 70 HG21 THR 70 5.448 -10.995 -7.238 409 HG22 THR 70 HG22 THR 70 6.484 -9.595 -6.933 410 HG23 THR 70 HG23 THR 70 6.402 -10.905 -5.753 411 H ASN 71 H ASN 71 8.891 -12.681 -5.435 412 HA ASN 71 HA ASN 71 6.890 -13.676 -3.511 413 HB2 ASN 71 HB2 ASN 71 8.628 -14.759 -2.243 414 HB3 ASN 71 HB3 ASN 71 8.787 -15.288 -3.915 415 HD21 ASN 71 HD21 ASN 71 10.753 -15.202 -1.752 416 HD22 ASN 71 HD22 ASN 71 12.071 -14.253 -2.349 417 H THR 72 H THR 72 8.355 -11.038 -4.582 418 HA THR 72 HA THR 72 8.547 -9.799 -1.923 419 HB THR 72 HB THR 72 10.184 -9.066 -4.357 420 HG1 THR 72 HG1 THR 72 10.635 -11.158 -3.160 421 HG21 THR 72 HG21 THR 72 9.645 -7.269 -2.705 422 HG22 THR 72 HG22 THR 72 11.368 -7.602 -2.890 423 HG23 THR 72 HG23 THR 72 10.494 -8.217 -1.485 424 H TRP 73 H TRP 73 6.814 -8.547 -1.706 425 HA TRP 73 HA TRP 73 5.729 -7.195 -4.091 426 HB2 TRP 73 HB2 TRP 73 4.403 -7.981 -1.489 427 HB3 TRP 73 HB3 TRP 73 3.615 -7.034 -2.743 428 HD1 TRP 73 HD TRP 73 5.572 -9.475 -4.571 429 HE1 TRP 73 HE1 TRP 73 4.161 -11.527 -5.226 430 HE3 TRP 73 HE3 TRP 73 1.563 -8.701 -1.506 431 HZ2 TRP 73 HZ2 TRP 73 1.686 -12.659 -4.527 432 HZ3 TRP 73 HZ3 TRP 73 -0.291 -10.318 -1.568 433 HH2 TRP 73 HH TRP 73 -0.226 -12.251 -3.048 434 H PHE 74 H PHE 74 5.450 -4.992 -4.098 435 HA PHE 74 HA PHE 74 6.242 -3.586 -1.636 436 HB2 PHE 74 HB2 PHE 74 6.800 -2.894 -4.509 437 HB3 PHE 74 HB3 PHE 74 6.799 -1.649 -3.258 438 HD1 PHE 74 HD2 PHE 74 8.376 -4.873 -4.218 439 HD2 PHE 74 HD1 PHE 74 8.660 -1.302 -1.924 440 HE1 PHE 74 HE2 PHE 74 10.706 -5.428 -3.647 441 HE2 PHE 74 HE1 PHE 74 10.989 -1.844 -1.353 442 HZ PHE 74 HZ PHE 74 12.017 -3.910 -2.218 443 H TYR 75 H TYR 75 4.559 -2.830 -0.667 444 HA TYR 75 HA TYR 75 2.457 -1.474 -2.232 445 HB2 TYR 75 HB2 TYR 75 2.351 -2.727 0.507 446 HB3 TYR 75 HB3 TYR 75 1.048 -1.792 -0.179 447 HD1 TYR 75 HD1 TYR 75 0.034 -2.640 -2.384 448 HD2 TYR 75 HD2 TYR 75 2.499 -4.978 0.156 449 HE1 TYR 75 HE1 TYR 75 -0.893 -4.679 -3.394 450 HE2 TYR 75 HE2 TYR 75 1.593 -7.045 -0.855 451 HH TYR 75 HH TYR 75 -0.716 -6.881 -3.556 452 H VAL 76 H VAL 76 1.378 0.303 -0.609 453 HA VAL 76 HA VAL 76 3.688 1.842 0.367 454 HB VAL 76 HB VAL 76 3.164 2.807 -1.731 455 HG11 VAL 76 HG11 VAL 76 0.999 1.813 -2.094 456 HG12 VAL 76 HG12 VAL 76 0.919 3.554 -2.362 457 HG13 VAL 76 HG13 VAL 76 0.287 2.861 -0.868 458 HG21 VAL 76 HG21 VAL 76 3.579 4.489 -0.012 459 HG22 VAL 76 HG22 VAL 76 1.858 4.513 0.385 460 HG23 VAL 76 HG23 VAL 76 2.404 5.079 -1.191 461 H PHE 77 H PHE 77 3.277 3.311 2.004 462 HA PHE 77 HA PHE 77 1.293 2.328 3.868 463 HB2 PHE 77 HB2 PHE 77 3.877 3.557 4.024 464 HB3 PHE 77 HB3 PHE 77 2.736 4.515 4.956 465 HD1 PHE 77 HD2 PHE 77 2.271 0.915 4.566 466 HD2 PHE 77 HD1 PHE 77 3.843 4.000 7.040 467 HE1 PHE 77 HE2 PHE 77 2.431 -0.659 6.425 468 HE2 PHE 77 HE1 PHE 77 4.019 2.408 8.910 469 HZ PHE 77 HZ PHE 77 3.314 0.071 8.601 470 H ARG 78 H ARG 78 0.526 4.205 5.411 471 HA ARG 78 HA ARG 78 -1.485 5.714 4.261 472 HB2 ARG 78 HB2 ARG 78 -0.953 5.212 6.717 473 HB3 ARG 78 HB1 ARG 78 0.143 6.571 6.652 474 HG2 ARG 78 HG2 ARG 78 -1.783 8.021 6.051 475 HG3 ARG 78 HG1 ARG 78 -2.834 6.624 6.310 476 HD2 ARG 78 HD2 ARG 78 -1.901 6.445 8.616 477 HD3 ARG 78 HD1 ARG 78 -1.059 7.967 8.336 478 HE ARG 78 HE ARG 78 -3.777 8.335 7.784 479 HH11 ARG 78 HH11 ARG 78 -1.674 7.674 10.501 480 HH12 ARG 78 HH12 ARG 78 -2.681 8.521 11.642 481 HH21 ARG 78 HH21 ARG 78 -5.144 9.383 9.306 482 HH22 ARG 78 HH22 ARG 78 -4.658 9.452 10.969 483 H GLN 79 H GLN 79 -1.620 7.950 3.573 484 HA GLN 79 HA GLN 79 0.261 8.806 1.825 485 HB2 GLN 79 HB2 GLN 79 -2.158 9.661 2.374 486 HB3 GLN 79 HB3 GLN 79 -1.288 10.882 3.284 487 HG2 GLN 79 HG2 GLN 79 -0.710 10.325 0.393 488 HG3 GLN 79 HG3 GLN 79 -1.963 11.449 0.903 489 HE21 GLN 79 HE21 GLN 79 -0.437 12.421 3.187 490 HE22 GLN 79 HE22 GLN 79 0.809 13.426 2.540 491 H GLN 80 H GLN 80 2.365 8.721 2.572 492 HA GLN 80 HA GLN 80 3.208 10.804 4.456 493 HB2 GLN 80 HB2 GLN 80 4.854 8.611 3.214 494 HB3 GLN 80 HB3 GLN 80 5.303 9.637 4.547 495 HG2 GLN 80 HG2 GLN 80 2.941 7.849 4.785 496 HG3 GLN 80 HG3 GLN 80 4.565 7.211 4.999 497 HE21 GLN 80 HE21 GLN 80 5.803 7.933 6.763 498 HE22 GLN 80 HE22 GLN 80 5.075 8.709 8.130 499 HA PRO 81 HA PRO 81 5.104 13.290 1.282 500 HB2 PRO 81 HB2 PRO 81 7.566 13.161 2.926 501 HB3 PRO 81 HB3 PRO 81 6.668 14.570 2.367 502 HG2 PRO 81 HG2 PRO 81 6.542 13.836 4.918 503 HG3 PRO 81 HG3 PRO 81 5.086 14.401 4.072 504 HD2 PRO 81 HD2 PRO 81 5.927 11.591 4.708 505 HD3 PRO 81 HD3 PRO 81 4.323 12.322 4.829 506 H GLY 82 H GLY 82 5.323 11.915 -0.434 507 HA2 GLY 82 HA3 GLY 82 7.912 10.505 -0.641 508 HA3 GLY 82 HA2 GLY 82 6.424 9.858 -1.322 509 H HIS 83 H HIS 83 7.241 13.241 -1.398 510 HA HIS 83 HA HIS 83 7.256 13.138 -4.329 511 HB2 HIS 83 HB2 HIS 83 6.962 15.431 -2.375 512 HB3 HIS 83 HB1 HIS 83 7.093 15.656 -4.112 513 HD1 HIS 83 HD1 HIS 83 4.810 16.520 -4.619 514 HD2 HIS 83 HD2 HIS 83 4.719 13.010 -2.388 515 HE1 HIS 83 HE1 HIS 83 2.387 15.843 -4.512 516 HE2 HIS 83 HE2 HIS 83 2.338 13.822 -3.002 517 H GLU 84 H GLU 84 9.058 14.541 -1.630 518 HA GLU 84 HA GLU 84 11.557 14.095 -3.054 519 HB2 GLU 84 HB2 GLU 84 11.030 16.349 -3.696 520 HB3 GLU 84 HB3 GLU 84 10.684 16.797 -2.038 521 HG2 GLU 84 HG2 GLU 84 13.055 16.400 -1.481 522 HG3 GLU 84 HG3 GLU 84 13.364 16.057 -3.186 523 H GLY 85 H GLY 85 13.210 13.621 -1.706 524 HA2 GLY 85 HA3 GLY 85 14.139 12.768 0.230 525 HA3 GLY 85 HA2 GLY 85 13.340 14.102 1.061 526 H VAL 86 H VAL 86 12.541 11.011 -0.474 527 HA VAL 86 HA VAL 86 9.984 10.757 0.553 528 HB VAL 86 HB VAL 86 11.790 8.451 -0.031 529 HG11 VAL 86 HG11 VAL 86 8.809 8.741 -0.226 530 HG12 VAL 86 HG12 VAL 86 9.691 7.855 1.020 531 HG13 VAL 86 HG13 VAL 86 9.734 7.301 -0.656 532 HG21 VAL 86 HG21 VAL 86 10.188 10.132 -1.943 533 HG22 VAL 86 HG22 VAL 86 10.930 8.586 -2.355 534 HG23 VAL 86 HG23 VAL 86 11.944 9.959 -1.904 535 H THR 87 H THR 87 9.141 10.130 2.366 536 HA THR 87 HA THR 87 10.822 8.730 4.331 537 HB THR 87 HB THR 87 10.486 11.070 5.046 538 HG1 THR 87 HG1 THR 87 9.241 8.989 6.523 539 HG21 THR 87 HG21 THR 87 7.563 10.340 4.995 540 HG22 THR 87 HG22 THR 87 8.369 11.492 3.933 541 HG23 THR 87 HG23 THR 87 8.229 11.832 5.661 542 H GLN 88 H GLN 88 8.506 8.219 2.258 543 HA GLN 88 HA GLN 88 6.425 6.997 3.710 544 HB2 GLN 88 HB2 GLN 88 5.728 7.284 1.560 545 HB3 GLN 88 HB3 GLN 88 7.379 7.237 0.938 546 HG2 GLN 88 HG2 GLN 88 6.345 5.445 0.001 547 HG3 GLN 88 HG3 GLN 88 7.237 4.765 1.355 548 HE21 GLN 88 HE21 GLN 88 4.361 6.615 1.862 549 HE22 GLN 88 HE22 GLN 88 3.336 5.304 2.316 550 H GLN 89 H GLN 89 6.419 5.015 4.668 551 HA GLN 89 HA GLN 89 8.695 3.266 4.151 552 HB2 GLN 89 HB2 GLN 89 6.708 3.287 6.422 553 HB3 GLN 89 HB3 GLN 89 7.934 2.044 6.200 554 HG2 GLN 89 HG2 GLN 89 9.679 3.769 6.347 555 HG3 GLN 89 HG3 GLN 89 8.433 4.975 6.650 556 HE21 GLN 89 HE21 GLN 89 6.858 3.076 8.267 557 HE22 GLN 89 HE22 GLN 89 7.681 2.961 9.780 558 H THR 90 H THR 90 8.340 1.891 2.586 559 HA THR 90 HA THR 90 5.637 1.263 1.795 560 HB THR 90 HB THR 90 6.958 -0.003 -0.041 561 HG1 THR 90 HG1 THR 90 8.958 0.352 1.389 562 HG21 THR 90 HG21 THR 90 7.666 2.417 -0.917 563 HG22 THR 90 HG22 THR 90 6.570 2.899 0.375 564 HG23 THR 90 HG23 THR 90 6.007 1.839 -0.927 565 H LEU 91 H LEU 91 4.871 -0.863 1.484 566 HA LEU 91 HA LEU 91 5.841 -2.660 3.555 567 HB2 LEU 91 HB2 LEU 91 3.391 -2.123 3.271 568 HB3 LEU 91 HB3 LEU 91 3.452 -3.007 1.761 569 HG LEU 91 HG LEU 91 4.259 -4.997 3.078 570 HD11 LEU 91 HD11 LEU 91 3.428 -4.863 5.496 571 HD12 LEU 91 HD12 LEU 91 3.578 -3.112 5.290 572 HD13 LEU 91 HD13 LEU 91 4.993 -4.149 5.095 573 HD21 LEU 91 HD21 LEU 91 2.038 -5.595 3.928 574 HD22 LEU 91 HD22 LEU 91 2.004 -4.957 2.275 575 HD23 LEU 91 HD23 LEU 91 1.501 -3.936 3.626 576 H THR 92 H THR 92 7.456 -3.901 2.960 577 HA THR 92 HA THR 92 7.483 -5.035 0.256 578 HB THR 92 HB THR 92 9.671 -5.185 2.338 579 HG1 THR 92 HG1 THR 92 8.970 -3.004 1.363 580 HG21 THR 92 HG21 THR 92 9.654 -6.878 0.500 581 HG22 THR 92 HG22 THR 92 11.080 -5.838 0.505 582 HG23 THR 92 HG23 THR 92 9.783 -5.550 -0.657 583 H LEU 93 H LEU 93 6.243 -6.802 0.257 584 HA LEU 93 HA LEU 93 6.081 -8.376 2.686 585 HB2 LEU 93 HB2 LEU 93 4.130 -7.702 1.029 586 HB3 LEU 93 HB3 LEU 93 4.634 -9.175 0.209 587 HG LEU 93 HG LEU 93 4.356 -10.354 2.394 588 HD11 LEU 93 HD11 LEU 93 2.689 -8.909 3.843 589 HD12 LEU 93 HD12 LEU 93 3.623 -7.592 3.147 590 HD13 LEU 93 HD13 LEU 93 4.428 -8.852 4.088 591 HD21 LEU 93 HD21 LEU 93 1.791 -9.062 1.714 592 HD22 LEU 93 HD22 LEU 93 2.146 -10.754 2.043 593 HD23 LEU 93 HD23 LEU 93 2.604 -10.032 0.495 594 H THR 94 H THR 94 7.224 -10.143 3.038 595 HA THR 94 HA THR 94 8.787 -11.215 0.836 596 HB THR 94 HB THR 94 9.191 -11.211 3.824 597 HG1 THR 94 HG1 THR 94 10.262 -9.471 3.304 598 HG21 THR 94 HG21 THR 94 9.798 -13.354 2.937 599 HG22 THR 94 HG22 THR 94 11.245 -12.461 3.410 600 HG23 THR 94 HG23 THR 94 10.803 -12.602 1.703 601 H PHE 95 H PHE 95 8.159 -13.081 0.043 602 HA PHE 95 HA PHE 95 6.377 -14.768 1.650 603 HB2 PHE 95 HB2 PHE 95 6.590 -14.278 -1.286 604 HB3 PHE 95 HB3 PHE 95 5.914 -15.795 -0.709 605 HD1 PHE 95 HD2 PHE 95 4.030 -15.659 0.953 606 HD2 PHE 95 HD1 PHE 95 5.253 -12.379 -1.435 607 HE1 PHE 95 HE2 PHE 95 1.846 -14.608 1.320 608 HE2 PHE 95 HE1 PHE 95 3.066 -11.309 -1.081 609 HZ PHE 95 HZ PHE 95 1.361 -12.434 0.301 610 H ASN 96 H ASN 96 6.592 -16.926 1.722 611 HA ASN 96 HA ASN 96 9.244 -17.966 1.758 612 HB2 ASN 96 HB2 ASN 96 7.029 -18.528 3.132 613 HB3 ASN 96 HB3 ASN 96 6.856 -19.740 1.883 614 HD21 ASN 96 HD21 ASN 96 7.143 -20.210 4.559 615 HD22 ASN 96 HD22 ASN 96 8.647 -21.028 4.814 616 H SER 97 H SER 97 9.633 -20.197 0.732 617 HA SER 97 HA SER 97 9.547 -20.066 -2.046 618 HB2 SER 97 HB2 SER 97 9.719 -22.574 -0.357 619 HB3 SER 97 HB3 SER 97 10.301 -22.371 -2.011 620 HG SER 97 HG SER 97 11.949 -21.167 -1.317 621 H SER 98 H SER 98 7.276 -21.492 0.244 622 HA SER 98 HA SER 98 5.719 -22.783 -1.802 623 HB2 SER 98 HB2 SER 98 5.980 -23.680 0.528 624 HB3 SER 98 HB3 SER 98 5.018 -22.319 1.106 625 HG SER 98 HG SER 98 3.340 -23.094 -0.364 626 H GLY 99 H GLY 99 6.040 -19.632 -0.871 627 HA2 GLY 99 HA3 GLY 99 4.816 -17.799 -1.635 628 HA3 GLY 99 HA2 GLY 99 3.521 -18.892 -2.110 629 H VAL 100 H VAL 100 4.978 -18.936 1.040 630 HA VAL 100 HA VAL 100 2.405 -18.125 2.211 631 HB VAL 100 HB VAL 100 4.717 -19.558 3.523 632 HG11 VAL 100 HG11 VAL 100 1.818 -19.295 4.320 633 HG12 VAL 100 HG12 VAL 100 3.183 -18.464 5.068 634 HG13 VAL 100 HG13 VAL 100 3.048 -20.219 5.186 635 HG21 VAL 100 HG21 VAL 100 2.302 -20.705 2.134 636 HG22 VAL 100 HG22 VAL 100 3.341 -21.620 3.230 637 HG23 VAL 100 HG23 VAL 100 4.006 -20.959 1.735 638 H LEU 101 H LEU 101 2.350 -16.342 3.604 639 HA LEU 101 HA LEU 101 4.432 -14.478 3.558 640 HB2 LEU 101 HB2 LEU 101 1.853 -14.760 4.886 641 HB3 LEU 101 HB3 LEU 101 3.030 -13.844 5.810 642 HG LEU 101 HG LEU 101 2.084 -13.263 3.029 643 HD11 LEU 101 HD11 LEU 101 1.845 -11.713 5.589 644 HD12 LEU 101 HD12 LEU 101 0.547 -12.636 4.834 645 HD13 LEU 101 HD13 LEU 101 1.217 -11.224 4.016 646 HD21 LEU 101 HD21 LEU 101 4.124 -11.778 4.649 647 HD22 LEU 101 HD22 LEU 101 3.556 -11.365 3.033 648 HD23 LEU 101 HD23 LEU 101 4.494 -12.841 3.292 649 H THR 102 H THR 102 6.243 -14.383 4.561 650 HA THR 102 HA THR 102 6.575 -15.879 7.078 651 HB THR 102 HB THR 102 8.924 -16.121 6.580 652 HG1 THR 102 HG1 THR 102 9.374 -15.291 4.201 653 HG21 THR 102 HG21 THR 102 7.013 -17.430 5.296 654 HG22 THR 102 HG22 THR 102 8.719 -17.718 4.950 655 HG23 THR 102 HG23 THR 102 7.767 -16.653 3.907 656 H ASN 103 H ASN 103 7.326 -12.914 5.344 657 HA ASN 103 HA ASN 103 7.486 -11.531 7.952 658 HB2 ASN 103 HB2 ASN 103 9.404 -11.213 5.660 659 HB3 ASN 103 HB3 ASN 103 9.194 -9.969 6.865 660 HD21 ASN 103 HD21 ASN 103 11.297 -10.072 7.504 661 HD22 ASN 103 HD22 ASN 103 11.942 -11.388 8.427 662 H ILE 104 H ILE 104 6.881 -9.405 7.956 663 HA ILE 104 HA ILE 104 5.754 -8.272 5.475 664 HB ILE 104 HB ILE 104 5.024 -7.175 8.166 665 HG12 ILE 104 HG12 ILE 104 4.549 -9.648 8.265 666 HG13 ILE 104 HG13 ILE 104 3.150 -8.611 8.490 667 HG21 ILE 104 HG21 ILE 104 3.511 -7.321 5.555 668 HG22 ILE 104 HG22 ILE 104 4.438 -5.949 6.151 669 HG23 ILE 104 HG23 ILE 104 2.994 -6.481 7.017 670 HD11 ILE 104 HD11 ILE 104 2.643 -9.010 6.048 671 HD12 ILE 104 HD12 ILE 104 2.437 -10.379 7.145 672 HD13 ILE 104 HD13 ILE 104 3.870 -10.280 6.109 673 H ASP 105 H ASP 105 7.692 -7.243 4.840 674 HA ASP 105 HA ASP 105 9.240 -5.834 6.837 675 HB2 ASP 105 HB2 ASP 105 9.645 -6.344 3.887 676 HB3 ASP 105 HB3 ASP 105 10.736 -5.366 4.847 677 H ASN 106 H ASN 106 8.091 -4.003 7.434 678 HA ASN 106 HA ASN 106 7.339 -2.186 5.271 679 HB2 ASN 106 HB2 ASN 106 6.186 -0.911 7.120 680 HB3 ASN 106 HB3 ASN 106 5.524 -2.489 6.751 681 HD21 ASN 106 HD21 ASN 106 5.895 -4.199 8.220 682 HD22 ASN 106 HD22 ASN 106 6.283 -3.881 9.871 683 H LYS 107 H LYS 107 8.998 -1.105 4.660 684 HA LYS 107 HA LYS 107 10.683 0.275 6.611 685 HB2 LYS 107 HB2 LYS 107 11.790 -1.192 4.226 686 HB3 LYS 107 HB1 LYS 107 12.682 -0.512 5.579 687 HG2 LYS 107 HG2 LYS 107 11.435 -2.070 7.029 688 HG3 LYS 107 HG1 LYS 107 10.831 -2.862 5.590 689 HD2 LYS 107 HD2 LYS 107 13.145 -3.351 4.906 690 HD3 LYS 107 HD1 LYS 107 13.724 -2.619 6.407 691 HE2 LYS 107 HE2 LYS 107 12.627 -4.273 7.730 692 HE3 LYS 107 HE1 LYS 107 11.760 -4.901 6.332 693 HZ1 LYS 107 HZ1 LYS 107 14.641 -5.160 6.959 694 HZ2 LYS 107 HZ2 LYS 107 14.015 -5.474 5.413 695 HZ3 LYS 107 HZ3 LYS 107 13.493 -6.388 6.739 696 HA PRO 108 HA PRO 108 10.304 3.818 4.242 697 HB2 PRO 108 HB2 PRO 108 13.023 4.612 4.225 698 HB3 PRO 108 HB3 PRO 108 11.751 5.125 5.322 699 HG2 PRO 108 HG2 PRO 108 13.965 3.358 5.826 700 HG3 PRO 108 HG3 PRO 108 12.777 4.001 6.967 701 HD2 PRO 108 HD2 PRO 108 12.975 1.346 5.971 702 HD3 PRO 108 HD3 PRO 108 11.724 2.014 7.017 703 H ALA 109 H ALA 109 10.198 4.338 2.176 704 HA ALA 109 HA ALA 109 11.083 2.429 0.285 705 HB1 ALA 109 HB1 ALA 109 9.832 5.120 -0.171 706 HB2 ALA 109 HB2 ALA 109 8.990 3.584 0.039 707 HB3 ALA 109 HB3 ALA 109 10.026 3.835 -1.367 708 H LEU 110 H LEU 110 12.610 2.392 -1.077 709 HA LEU 110 HA LEU 110 14.832 2.664 -1.657 710 HB2 LEU 110 HB2 LEU 110 13.448 5.000 -2.954 711 HB3 LEU 110 HB3 LEU 110 14.908 4.212 -3.527 712 HG LEU 110 HG LEU 110 12.217 2.851 -3.303 713 HD11 LEU 110 HD11 LEU 110 13.627 3.723 -5.808 714 HD12 LEU 110 HD12 LEU 110 12.409 4.719 -5.009 715 HD13 LEU 110 HD13 LEU 110 11.974 3.129 -5.637 716 HD21 LEU 110 HD21 LEU 110 14.250 1.411 -3.138 717 HD22 LEU 110 HD22 LEU 110 14.720 1.995 -4.737 718 HD23 LEU 110 HD23 LEU 110 13.232 1.071 -4.538 719 H SER 111 H SER 111 14.208 6.114 -1.776 720 HA SER 111 HA SER 111 16.772 6.624 -0.626 721 HB2 SER 111 HB2 SER 111 14.698 8.614 -1.532 722 HB3 SER 111 HB3 SER 111 16.438 8.833 -1.438 723 HG SER 111 HG SER 111 16.335 8.302 -3.485 724 H GLY 112 H GLY 112 15.016 5.514 1.288 725 HA2 GLY 112 HA3 GLY 112 14.257 7.787 2.982 726 HA3 GLY 112 HA2 GLY 112 13.768 6.115 3.226 727 H ASN 113 H ASN 113 14.450 6.365 5.429 728 HA ASN 113 HA ASN 113 17.374 6.315 5.754 729 HB2 ASN 113 HB2 ASN 113 16.291 8.155 6.980 730 HB3 ASN 113 HB3 ASN 113 15.259 6.994 7.813 731 HD21 ASN 113 HD21 ASN 113 16.013 7.540 9.841 732 HD22 ASN 113 HD22 ASN 113 17.608 7.129 10.385 Start of MODEL 19 1 H1 GLY 17 H1 GLY 17 3.034 20.263 -19.267 2 H2 GLY 17 H2 GLY 17 3.922 20.141 -17.828 3 H3 GLY 17 H3 GLY 17 2.318 20.698 -17.791 4 HA2 GLY 17 HA2 GLY 17 1.515 18.548 -18.507 5 HA3 GLY 17 HA3 GLY 17 3.175 17.971 -18.579 6 H SER 18 H SER 18 1.851 16.406 -17.106 7 HA SER 18 HA SER 18 1.744 15.400 -15.087 8 HB2 SER 18 HB2 SER 18 4.117 16.073 -14.893 9 HB3 SER 18 HB3 SER 18 3.619 17.606 -14.178 10 HG SER 18 HG SER 18 2.565 16.287 -12.531 11 H HIS 19 H HIS 19 -0.061 17.719 -15.832 12 HA HIS 19 HA HIS 19 -0.945 18.375 -13.097 13 HB2 HIS 19 HB2 HIS 19 -0.511 20.106 -15.213 14 HB3 HIS 19 HB1 HIS 19 -2.257 19.863 -15.247 15 HD1 HIS 19 HD1 HIS 19 -0.064 22.216 -14.004 16 HD2 HIS 19 HD2 HIS 19 -3.090 20.002 -12.193 17 HE1 HIS 19 HE1 HIS 19 -0.687 23.484 -11.924 18 HE2 HIS 19 HE2 HIS 19 -2.357 22.015 -10.742 19 H MET 20 H MET 20 -1.914 16.316 -12.897 20 HA MET 20 HA MET 20 -4.593 16.188 -13.982 21 HB2 MET 20 HB2 MET 20 -4.320 13.869 -14.804 22 HB3 MET 20 HB3 MET 20 -3.351 15.017 -15.716 23 HG2 MET 20 HG2 MET 20 -1.371 14.343 -14.429 24 HG3 MET 20 HG3 MET 20 -2.355 13.166 -13.560 25 HE1 MET 20 HE1 MET 20 -0.528 11.319 -14.260 26 HE2 MET 20 HE2 MET 20 0.370 12.530 -15.173 27 HE3 MET 20 HE3 MET 20 -0.068 10.999 -15.932 28 H SER 21 H SER 21 -5.633 14.040 -13.090 29 HA SER 21 HA SER 21 -6.412 12.972 -11.251 30 HB2 SER 21 HB2 SER 21 -3.480 13.002 -10.520 31 HB3 SER 21 HB3 SER 21 -4.704 12.092 -9.636 32 HG SER 21 HG SER 21 -4.901 10.712 -11.262 33 H THR 22 H THR 22 -6.809 15.650 -11.220 34 HA THR 22 HA THR 22 -6.027 16.843 -8.741 35 HB THR 22 HB THR 22 -8.069 18.386 -9.499 36 HG1 THR 22 HG1 THR 22 -8.881 17.592 -11.296 37 HG21 THR 22 HG21 THR 22 -6.502 19.698 -10.827 38 HG22 THR 22 HG22 THR 22 -5.428 18.306 -10.968 39 HG23 THR 22 HG23 THR 22 -5.696 19.056 -9.395 40 H LEU 23 H LEU 23 -8.929 15.276 -10.005 41 HA LEU 23 HA LEU 23 -10.718 14.309 -9.025 42 HB2 LEU 23 HB2 LEU 23 -9.002 12.940 -7.969 43 HB3 LEU 23 HB3 LEU 23 -8.847 14.107 -6.668 44 HG LEU 23 HG LEU 23 -11.165 13.626 -5.972 45 HD11 LEU 23 HD11 LEU 23 -12.063 12.947 -8.132 46 HD12 LEU 23 HD12 LEU 23 -12.355 11.721 -6.899 47 HD13 LEU 23 HD13 LEU 23 -11.076 11.486 -8.091 48 HD21 LEU 23 HD21 LEU 23 -9.333 12.434 -4.919 49 HD22 LEU 23 HD22 LEU 23 -9.386 11.199 -6.176 50 HD23 LEU 23 HD23 LEU 23 -10.745 11.390 -5.067 51 H GLU 24 H GLU 24 -12.199 15.911 -8.991 52 HA GLU 24 HA GLU 24 -12.374 17.822 -6.855 53 HB2 GLU 24 HB2 GLU 24 -14.341 16.991 -8.997 54 HB3 GLU 24 HB3 GLU 24 -14.647 18.279 -7.841 55 HG2 GLU 24 HG2 GLU 24 -12.755 19.527 -8.701 56 HG3 GLU 24 HG3 GLU 24 -12.384 18.218 -9.823 57 H ARG 25 H ARG 25 -14.825 17.879 -5.871 58 HA ARG 25 HA ARG 25 -14.916 15.713 -4.044 59 HB2 ARG 25 HB2 ARG 25 -17.074 17.741 -4.662 60 HB3 ARG 25 HB1 ARG 25 -16.976 16.741 -3.217 61 HG2 ARG 25 HG2 ARG 25 -14.933 17.868 -2.545 62 HG3 ARG 25 HG1 ARG 25 -14.956 18.826 -4.027 63 HD2 ARG 25 HD2 ARG 25 -17.203 19.685 -3.301 64 HD3 ARG 25 HD1 ARG 25 -16.920 18.899 -1.751 65 HE ARG 25 HE ARG 25 -14.703 20.485 -2.220 66 HH11 ARG 25 HH11 ARG 25 -18.148 20.927 -1.793 67 HH12 ARG 25 HH12 ARG 25 -18.002 22.552 -1.185 68 HH21 ARG 25 HH21 ARG 25 -14.492 22.618 -1.424 69 HH22 ARG 25 HH22 ARG 25 -15.910 23.511 -0.974 70 H VAL 26 H VAL 26 -17.784 16.664 -5.873 71 HA VAL 26 HA VAL 26 -19.250 15.552 -7.198 72 HB VAL 26 HB VAL 26 -17.052 13.516 -7.594 73 HG11 VAL 26 HG11 VAL 26 -19.525 14.105 -9.220 74 HG12 VAL 26 HG12 VAL 26 -19.224 12.656 -8.260 75 HG13 VAL 26 HG13 VAL 26 -18.239 12.990 -9.684 76 HG21 VAL 26 HG21 VAL 26 -16.305 15.746 -8.210 77 HG22 VAL 26 HG22 VAL 26 -17.743 15.968 -9.206 78 HG23 VAL 26 HG23 VAL 26 -16.544 14.753 -9.649 79 H VAL 27 H VAL 27 -17.460 12.923 -5.585 80 HA VAL 27 HA VAL 27 -19.970 11.849 -4.553 81 HB VAL 27 HB VAL 27 -19.237 10.904 -6.842 82 HG11 VAL 27 HG11 VAL 27 -16.910 10.547 -6.416 83 HG12 VAL 27 HG12 VAL 27 -17.690 8.999 -6.744 84 HG13 VAL 27 HG13 VAL 27 -17.278 9.449 -5.088 85 HG21 VAL 27 HG21 VAL 27 -19.762 8.851 -4.710 86 HG22 VAL 27 HG22 VAL 27 -20.227 8.811 -6.405 87 HG23 VAL 27 HG23 VAL 27 -20.984 9.966 -5.312 88 H TYR 28 H TYR 28 -18.813 9.479 -3.525 89 HA TYR 28 HA TYR 28 -17.781 10.105 -1.096 90 HB2 TYR 28 HB2 TYR 28 -17.065 7.691 -2.777 91 HB3 TYR 28 HB3 TYR 28 -16.802 7.826 -1.044 92 HD1 TYR 28 HD2 TYR 28 -18.687 7.756 0.503 93 HD2 TYR 28 HD1 TYR 28 -19.266 7.275 -3.680 94 HE1 TYR 28 HE2 TYR 28 -20.929 6.843 0.929 95 HE2 TYR 28 HE1 TYR 28 -21.513 6.362 -3.271 96 HH TYR 28 HH TYR 28 -22.820 5.360 -1.558 97 H ARG 29 H ARG 29 -16.130 11.388 -0.667 98 HA ARG 29 HA ARG 29 -13.755 11.390 -2.332 99 HB2 ARG 29 HB2 ARG 29 -14.994 13.221 -0.394 100 HB3 ARG 29 HB1 ARG 29 -13.241 13.149 -0.300 101 HG2 ARG 29 HG2 ARG 29 -14.789 13.708 -2.820 102 HG3 ARG 29 HG1 ARG 29 -14.104 14.947 -1.766 103 HD2 ARG 29 HD2 ARG 29 -12.612 12.831 -3.315 104 HD3 ARG 29 HD1 ARG 29 -12.585 14.574 -3.584 105 HE ARG 29 HE ARG 29 -11.682 13.642 -0.981 106 HH11 ARG 29 HH11 ARG 29 -10.824 14.779 -4.174 107 HH12 ARG 29 HH12 ARG 29 -9.182 15.159 -3.750 108 HH21 ARG 29 HH21 ARG 29 -9.537 14.154 -0.388 109 HH22 ARG 29 HH22 ARG 29 -8.455 14.826 -1.581 110 HA PRO 30 HA PRO 30 -11.732 8.409 0.417 111 HB2 PRO 30 HB2 PRO 30 -9.489 9.450 -1.246 112 HB3 PRO 30 HB3 PRO 30 -9.920 7.788 -0.846 113 HG2 PRO 30 HG2 PRO 30 -10.423 8.783 -3.260 114 HG3 PRO 30 HG3 PRO 30 -11.543 7.666 -2.464 115 HD2 PRO 30 HD2 PRO 30 -11.768 10.593 -2.853 116 HD3 PRO 30 HD3 PRO 30 -13.026 9.353 -2.806 117 H ASP 31 H ASP 31 -10.931 8.918 2.368 118 HA ASP 31 HA ASP 31 -10.461 11.630 3.053 119 HB2 ASP 31 HB2 ASP 31 -11.445 10.019 4.644 120 HB3 ASP 31 HB3 ASP 31 -9.918 9.144 4.680 121 H ILE 32 H ILE 32 -8.507 8.952 2.293 122 HA ILE 32 HA ILE 32 -6.021 10.259 2.930 123 HB ILE 32 HB ILE 32 -6.515 7.722 1.373 124 HG12 ILE 32 HG12 ILE 32 -7.398 7.683 3.680 125 HG13 ILE 32 HG13 ILE 32 -6.045 6.583 3.471 126 HG21 ILE 32 HG21 ILE 32 -4.133 7.289 2.149 127 HG22 ILE 32 HG22 ILE 32 -4.044 9.024 2.458 128 HG23 ILE 32 HG23 ILE 32 -4.358 8.427 0.819 129 HD11 ILE 32 HD11 ILE 32 -6.002 7.878 5.571 130 HD12 ILE 32 HD12 ILE 32 -5.802 9.343 4.620 131 HD13 ILE 32 HD13 ILE 32 -4.566 8.083 4.574 132 H ASN 33 H ASN 33 -4.586 11.141 1.495 133 HA ASN 33 HA ASN 33 -5.676 12.199 -0.946 134 HB2 ASN 33 HB2 ASN 33 -2.839 12.407 0.086 135 HB3 ASN 33 HB3 ASN 33 -3.599 13.435 -1.126 136 HD21 ASN 33 HD21 ASN 33 -3.265 12.726 2.226 137 HD22 ASN 33 HD22 ASN 33 -4.137 14.084 2.828 138 H GLN 34 H GLN 34 -4.470 9.282 -0.247 139 HA GLN 34 HA GLN 34 -3.785 8.765 -3.008 140 HB2 GLN 34 HB2 GLN 34 -1.780 7.444 -2.345 141 HB3 GLN 34 HB3 GLN 34 -1.638 9.174 -2.098 142 HG2 GLN 34 HG2 GLN 34 -2.112 8.874 0.280 143 HG3 GLN 34 HG3 GLN 34 -2.185 7.130 0.028 144 HE21 GLN 34 HE21 GLN 34 -0.160 9.936 0.121 145 HE22 GLN 34 HE22 GLN 34 1.350 9.104 0.206 146 H GLY 35 H GLY 35 -5.973 8.244 -1.297 147 HA2 GLY 35 HA3 GLY 35 -5.914 5.456 -0.557 148 HA3 GLY 35 HA2 GLY 35 -7.299 6.531 -0.457 149 H ASN 36 H ASN 36 -5.222 5.249 -3.032 150 HA ASN 36 HA ASN 36 -7.649 4.311 -4.409 151 HB2 ASN 36 HB2 ASN 36 -6.741 6.354 -5.512 152 HB3 ASN 36 HB3 ASN 36 -5.224 5.519 -5.760 153 HD21 ASN 36 HD21 ASN 36 -5.025 4.234 -7.460 154 HD22 ASN 36 HD22 ASN 36 -6.283 3.944 -8.599 155 H TYR 37 H TYR 37 -4.145 4.038 -4.088 156 HA TYR 37 HA TYR 37 -4.324 1.196 -4.716 157 HB2 TYR 37 HB2 TYR 37 -1.739 1.412 -4.539 158 HB3 TYR 37 HB3 TYR 37 -2.543 2.064 -5.959 159 HD1 TYR 37 HD2 TYR 37 -1.244 3.066 -2.616 160 HD2 TYR 37 HD1 TYR 37 -2.182 4.261 -6.585 161 HE1 TYR 37 HE2 TYR 37 -0.213 5.257 -2.192 162 HE2 TYR 37 HE1 TYR 37 -1.156 6.456 -6.176 163 HH TYR 37 HH TYR 37 -0.604 7.907 -4.296 164 H LEU 38 H LEU 38 -2.089 0.382 -3.104 165 HA LEU 38 HA LEU 38 -3.592 0.129 -0.657 166 HB2 LEU 38 HB2 LEU 38 -2.379 -1.779 -1.738 167 HB3 LEU 38 HB3 LEU 38 -0.875 -1.033 -1.222 168 HG LEU 38 HG LEU 38 -2.246 -1.089 1.114 169 HD11 LEU 38 HD11 LEU 38 -4.142 -2.247 0.396 170 HD12 LEU 38 HD12 LEU 38 -3.153 -3.470 1.192 171 HD13 LEU 38 HD13 LEU 38 -3.199 -3.373 -0.571 172 HD21 LEU 38 HD21 LEU 38 0.035 -1.842 0.793 173 HD22 LEU 38 HD22 LEU 38 -0.545 -3.306 -0.001 174 HD23 LEU 38 HD23 LEU 38 -0.899 -3.027 1.704 175 H THR 39 H THR 39 -3.030 0.780 1.321 176 HA THR 39 HA THR 39 -0.673 2.490 1.617 177 HB THR 39 HB THR 39 -1.894 4.009 3.042 178 HG1 THR 39 HG1 THR 39 -4.125 2.276 2.555 179 HG21 THR 39 HG21 THR 39 -2.130 3.927 0.384 180 HG22 THR 39 HG22 THR 39 -2.873 5.179 1.377 181 HG23 THR 39 HG23 THR 39 -3.834 3.805 0.825 182 H ALA 40 H ALA 40 -0.607 2.989 4.202 183 HA ALA 40 HA ALA 40 0.149 0.563 5.432 184 HB1 ALA 40 HB1 ALA 40 -0.367 3.254 6.686 185 HB2 ALA 40 HB2 ALA 40 1.172 2.682 6.035 186 HB3 ALA 40 HB3 ALA 40 0.470 1.905 7.455 187 H ASN 41 H ASN 41 -2.760 2.482 5.508 188 HA ASN 41 HA ASN 41 -4.062 1.363 7.723 189 HB2 ASN 41 HB2 ASN 41 -5.222 2.403 5.126 190 HB3 ASN 41 HB3 ASN 41 -6.135 2.123 6.600 191 HD21 ASN 41 HD21 ASN 41 -5.613 4.566 5.013 192 HD22 ASN 41 HD22 ASN 41 -4.959 5.706 6.144 193 H ASP 42 H ASP 42 -3.973 0.482 4.344 194 HA ASP 42 HA ASP 42 -5.724 -1.743 4.530 195 HB2 ASP 42 HB2 ASP 42 -3.611 -1.142 2.461 196 HB3 ASP 42 HB3 ASP 42 -4.920 -2.301 2.291 197 H VAL 43 H VAL 43 -2.239 -1.328 4.804 198 HA VAL 43 HA VAL 43 -1.400 -3.976 4.734 199 HB VAL 43 HB VAL 43 -0.320 -1.658 6.337 200 HG11 VAL 43 HG11 VAL 43 0.949 -4.349 5.902 201 HG12 VAL 43 HG12 VAL 43 0.283 -3.773 7.434 202 HG13 VAL 43 HG13 VAL 43 1.686 -2.970 6.723 203 HG21 VAL 43 HG21 VAL 43 0.989 -2.999 4.046 204 HG22 VAL 43 HG22 VAL 43 1.203 -1.352 4.636 205 HG23 VAL 43 HG23 VAL 43 -0.266 -1.794 3.757 206 H SER 44 H SER 44 -2.876 -2.163 7.342 207 HA SER 44 HA SER 44 -2.392 -3.966 9.433 208 HB2 SER 44 HB2 SER 44 -3.101 -1.610 9.663 209 HB3 SER 44 HB3 SER 44 -4.723 -2.077 9.172 210 HG SER 44 HG SER 44 -4.323 -3.714 11.029 211 H LYS 45 H LYS 45 -4.370 -4.272 6.741 212 HA LYS 45 HA LYS 45 -6.425 -5.900 7.916 213 HB2 LYS 45 HB2 LYS 45 -5.690 -5.406 5.046 214 HB3 LYS 45 HB1 LYS 45 -7.118 -6.281 5.582 215 HG2 LYS 45 HG2 LYS 45 -7.987 -4.302 6.642 216 HG3 LYS 45 HG1 LYS 45 -6.514 -3.407 6.255 217 HD2 LYS 45 HD2 LYS 45 -8.297 -2.865 4.683 218 HD3 LYS 45 HD1 LYS 45 -6.983 -3.717 3.862 219 HE2 LYS 45 HE2 LYS 45 -8.291 -5.836 4.273 220 HE3 LYS 45 HE1 LYS 45 -9.643 -4.806 4.735 221 HZ1 LYS 45 HZ1 LYS 45 -9.678 -3.831 2.567 222 HZ2 LYS 45 HZ2 LYS 45 -9.709 -5.515 2.389 223 HZ3 LYS 45 HZ3 LYS 45 -8.274 -4.660 2.103 224 H ILE 46 H ILE 46 -3.276 -6.481 6.501 225 HA ILE 46 HA ILE 46 -3.873 -9.310 6.235 226 HB ILE 46 HB ILE 46 -1.640 -9.531 5.250 227 HG12 ILE 46 HG12 ILE 46 -1.498 -6.516 5.230 228 HG13 ILE 46 HG13 ILE 46 -0.649 -7.514 6.411 229 HG21 ILE 46 HG21 ILE 46 -2.190 -8.494 3.140 230 HG22 ILE 46 HG22 ILE 46 -3.372 -7.458 3.944 231 HG23 ILE 46 HG23 ILE 46 -3.616 -9.204 3.895 232 HD11 ILE 46 HD11 ILE 46 -0.310 -7.983 3.476 233 HD12 ILE 46 HD12 ILE 46 0.768 -8.415 4.814 234 HD13 ILE 46 HD13 ILE 46 0.615 -6.725 4.320 235 H ARG 47 H ARG 47 -1.703 -10.585 6.673 236 HA ARG 47 HA ARG 47 -0.329 -10.074 9.083 237 HB2 ARG 47 HB2 ARG 47 -1.425 -11.703 10.546 238 HB3 ARG 47 HB1 ARG 47 -2.566 -10.451 10.079 239 HG2 ARG 47 HG2 ARG 47 -2.439 -12.997 8.525 240 HG3 ARG 47 HG1 ARG 47 -3.293 -12.945 10.070 241 HD2 ARG 47 HD2 ARG 47 -3.827 -11.184 7.676 242 HD3 ARG 47 HD1 ARG 47 -4.809 -12.558 8.189 243 HE ARG 47 HE ARG 47 -4.422 -10.208 9.935 244 HH11 ARG 47 HH11 ARG 47 -6.539 -12.412 8.203 245 HH12 ARG 47 HH12 ARG 47 -7.973 -11.836 9.004 246 HH21 ARG 47 HH21 ARG 47 -6.302 -9.457 10.950 247 HH22 ARG 47 HH22 ARG 47 -7.841 -10.169 10.559 248 H VAL 48 H VAL 48 1.087 -11.760 9.626 249 HA VAL 48 HA VAL 48 1.977 -13.233 7.371 250 HB VAL 48 HB VAL 48 3.008 -13.899 10.053 251 HG11 VAL 48 HG11 VAL 48 4.287 -13.124 7.439 252 HG12 VAL 48 HG12 VAL 48 4.041 -14.773 8.029 253 HG13 VAL 48 HG13 VAL 48 5.148 -13.691 8.874 254 HG21 VAL 48 HG21 VAL 48 3.254 -11.175 8.822 255 HG22 VAL 48 HG22 VAL 48 4.331 -11.774 10.087 256 HG23 VAL 48 HG23 VAL 48 2.607 -11.573 10.412 257 H GLY 49 H GLY 49 1.977 -15.463 7.067 258 HA2 GLY 49 HA3 GLY 49 1.531 -17.683 8.077 259 HA3 GLY 49 HA2 GLY 49 0.115 -16.945 8.814 260 H MET 50 H MET 50 -0.569 -15.399 6.421 261 HA MET 50 HA MET 50 -1.839 -17.579 4.997 262 HB2 MET 50 HB2 MET 50 -3.152 -15.782 3.850 263 HB3 MET 50 HB3 MET 50 -3.405 -15.921 5.578 264 HG2 MET 50 HG2 MET 50 -1.966 -13.971 5.915 265 HG3 MET 50 HG3 MET 50 -1.719 -13.871 4.180 266 HE1 MET 50 HE1 MET 50 -3.746 -10.976 3.894 267 HE2 MET 50 HE2 MET 50 -2.191 -11.582 4.496 268 HE3 MET 50 HE3 MET 50 -3.414 -11.010 5.632 269 H THR 51 H THR 51 -2.250 -16.860 2.525 270 HA THR 51 HA THR 51 0.420 -17.300 1.463 271 HB THR 51 HB THR 51 -0.676 -18.185 -0.505 272 HG1 THR 51 HG1 THR 51 -3.220 -18.232 0.226 273 HG21 THR 51 HG21 THR 51 -1.875 -19.074 2.078 274 HG22 THR 51 HG22 THR 51 -0.444 -19.739 1.286 275 HG23 THR 51 HG23 THR 51 -2.043 -19.961 0.566 276 H GLN 52 H GLN 52 0.448 -16.638 -1.026 277 HA GLN 52 HA GLN 52 0.467 -13.846 -1.240 278 HB2 GLN 52 HB2 GLN 52 0.450 -15.992 -3.366 279 HB3 GLN 52 HB3 GLN 52 0.728 -14.290 -3.668 280 HG2 GLN 52 HG2 GLN 52 2.702 -14.339 -2.249 281 HG3 GLN 52 HG3 GLN 52 2.429 -16.051 -1.934 282 HE21 GLN 52 HE21 GLN 52 4.696 -14.679 -3.146 283 HE22 GLN 52 HE22 GLN 52 4.907 -15.382 -4.709 284 H GLN 53 H GLN 53 -1.923 -16.306 -2.203 285 HA GLN 53 HA GLN 53 -3.540 -14.469 -3.665 286 HB2 GLN 53 HB2 GLN 53 -5.299 -16.186 -3.549 287 HB3 GLN 53 HB3 GLN 53 -3.773 -16.840 -4.094 288 HG2 GLN 53 HG2 GLN 53 -3.438 -17.982 -2.129 289 HG3 GLN 53 HG3 GLN 53 -4.603 -17.012 -1.241 290 HE21 GLN 53 HE21 GLN 53 -6.756 -17.489 -1.365 291 HE22 GLN 53 HE22 GLN 53 -7.352 -18.962 -2.070 292 H GLN 54 H GLN 54 -3.504 -15.639 -0.369 293 HA GLN 54 HA GLN 54 -5.831 -14.410 0.559 294 HB2 GLN 54 HB2 GLN 54 -3.247 -14.708 2.089 295 HB3 GLN 54 HB3 GLN 54 -4.846 -14.507 2.779 296 HG2 GLN 54 HG2 GLN 54 -4.723 -16.810 1.037 297 HG3 GLN 54 HG3 GLN 54 -3.505 -16.875 2.303 298 HE21 GLN 54 HE21 GLN 54 -4.424 -18.518 3.419 299 HE22 GLN 54 HE22 GLN 54 -5.928 -18.374 4.275 300 H VAL 55 H VAL 55 -2.479 -13.191 0.557 301 HA VAL 55 HA VAL 55 -3.151 -10.691 1.669 302 HB VAL 55 HB VAL 55 -0.711 -11.554 0.127 303 HG11 VAL 55 HG11 VAL 55 -1.078 -9.068 1.782 304 HG12 VAL 55 HG12 VAL 55 -1.117 -9.097 0.021 305 HG13 VAL 55 HG13 VAL 55 0.366 -9.537 0.880 306 HG21 VAL 55 HG21 VAL 55 -0.983 -10.987 3.044 307 HG22 VAL 55 HG22 VAL 55 0.288 -11.890 2.213 308 HG23 VAL 55 HG23 VAL 55 -1.331 -12.590 2.373 309 H ALA 56 H ALA 56 -2.578 -11.672 -1.734 310 HA ALA 56 HA ALA 56 -2.844 -9.038 -2.733 311 HB1 ALA 56 HB1 ALA 56 -3.503 -11.519 -4.306 312 HB2 ALA 56 HB2 ALA 56 -1.855 -10.975 -3.993 313 HB3 ALA 56 HB3 ALA 56 -2.959 -9.956 -4.909 314 H TYR 57 H TYR 57 -5.172 -11.437 -1.791 315 HA TYR 57 HA TYR 57 -7.344 -10.049 -3.073 316 HB2 TYR 57 HB2 TYR 57 -7.056 -12.503 -1.437 317 HB3 TYR 57 HB3 TYR 57 -8.637 -11.718 -1.459 318 HD1 TYR 57 HD2 TYR 57 -6.119 -11.904 -4.222 319 HD2 TYR 57 HD1 TYR 57 -9.934 -13.172 -2.763 320 HE1 TYR 57 HE2 TYR 57 -6.641 -12.872 -6.397 321 HE2 TYR 57 HE1 TYR 57 -10.446 -14.148 -4.960 322 HH TYR 57 HH TYR 57 -8.172 -14.764 -7.276 323 H ALA 58 H ALA 58 -5.986 -10.277 0.176 324 HA ALA 58 HA ALA 58 -7.974 -8.712 1.477 325 HB1 ALA 58 HB1 ALA 58 -5.095 -9.100 2.318 326 HB2 ALA 58 HB2 ALA 58 -6.391 -10.272 2.606 327 HB3 ALA 58 HB3 ALA 58 -6.476 -8.672 3.343 328 H LEU 59 H LEU 59 -4.789 -8.092 0.203 329 HA LEU 59 HA LEU 59 -4.780 -5.316 0.969 330 HB2 LEU 59 HB2 LEU 59 -2.900 -7.363 0.418 331 HB3 LEU 59 HB3 LEU 59 -2.612 -6.098 -0.752 332 HG LEU 59 HG LEU 59 -2.021 -4.549 0.885 333 HD11 LEU 59 HD11 LEU 59 -3.472 -6.385 2.755 334 HD12 LEU 59 HD12 LEU 59 -3.832 -4.689 2.376 335 HD13 LEU 59 HD13 LEU 59 -2.401 -5.101 3.334 336 HD21 LEU 59 HD21 LEU 59 -1.132 -7.245 1.858 337 HD22 LEU 59 HD22 LEU 59 -0.372 -5.708 2.276 338 HD23 LEU 59 HD23 LEU 59 -0.344 -6.284 0.606 339 H GLY 60 H GLY 60 -4.522 -7.144 -2.041 340 HA2 GLY 60 HA3 GLY 60 -5.905 -6.097 -3.919 341 HA3 GLY 60 HA2 GLY 60 -4.946 -4.662 -3.551 342 H THR 61 H THR 61 -5.132 -6.764 -5.854 343 HA THR 61 HA THR 61 -2.590 -8.033 -5.872 344 HB THR 61 HB THR 61 -3.064 -8.438 -8.281 345 HG1 THR 61 HG1 THR 61 -5.406 -6.933 -7.667 346 HG21 THR 61 HG21 THR 61 -5.194 -9.129 -6.322 347 HG22 THR 61 HG22 THR 61 -3.728 -10.045 -6.626 348 HG23 THR 61 HG23 THR 61 -4.981 -9.925 -7.871 349 HA PRO 62 HA PRO 62 -0.143 -4.545 -6.674 350 HB2 PRO 62 HB2 PRO 62 1.992 -6.286 -7.608 351 HB3 PRO 62 HB3 PRO 62 1.872 -5.382 -6.102 352 HG2 PRO 62 HG2 PRO 62 1.723 -8.097 -6.239 353 HG3 PRO 62 HG3 PRO 62 0.944 -7.137 -4.970 354 HD2 PRO 62 HD2 PRO 62 -0.245 -8.392 -7.404 355 HD3 PRO 62 HD3 PRO 62 -0.923 -8.228 -5.773 356 H LEU 63 H LEU 63 1.157 -3.475 -8.249 357 HA LEU 63 HA LEU 63 -0.306 -3.152 -10.617 358 HB2 LEU 63 HB2 LEU 63 2.489 -2.145 -10.213 359 HB3 LEU 63 HB3 LEU 63 1.172 -1.393 -11.092 360 HG LEU 63 HG LEU 63 0.753 -1.792 -8.189 361 HD11 LEU 63 HD11 LEU 63 3.111 -1.096 -8.378 362 HD12 LEU 63 HD12 LEU 63 2.091 0.109 -7.583 363 HD13 LEU 63 HD13 LEU 63 2.589 0.342 -9.261 364 HD21 LEU 63 HD21 LEU 63 -0.927 -0.731 -9.626 365 HD22 LEU 63 HD22 LEU 63 0.243 0.508 -10.077 366 HD23 LEU 63 HD23 LEU 63 -0.317 0.388 -8.409 367 H MET 64 H MET 64 2.614 -4.891 -9.874 368 HA MET 64 HA MET 64 3.579 -5.341 -12.470 369 HB2 MET 64 HB2 MET 64 4.663 -7.374 -11.450 370 HB3 MET 64 HB3 MET 64 4.998 -5.847 -10.647 371 HG2 MET 64 HG2 MET 64 3.040 -6.509 -9.101 372 HG3 MET 64 HG3 MET 64 3.305 -8.139 -9.719 373 HE1 MET 64 HE1 MET 64 4.402 -9.343 -7.239 374 HE2 MET 64 HE2 MET 64 3.191 -8.054 -7.182 375 HE3 MET 64 HE3 MET 64 4.614 -7.977 -6.136 376 H SER 65 H SER 65 0.659 -6.328 -11.201 377 HA SER 65 HA SER 65 -1.072 -7.330 -12.241 378 HB2 SER 65 HB2 SER 65 -0.132 -6.449 -14.329 379 HB3 SER 65 HB3 SER 65 0.870 -7.889 -14.482 380 HG SER 65 HG SER 65 -1.450 -8.897 -14.215 381 H ASP 66 H ASP 66 1.591 -8.912 -11.203 382 HA ASP 66 HA ASP 66 0.099 -11.392 -11.000 383 HB2 ASP 66 HB2 ASP 66 2.726 -11.162 -12.415 384 HB3 ASP 66 HB3 ASP 66 2.363 -12.612 -11.484 385 HA PRO 67 HA PRO 67 2.073 -10.612 -7.017 386 HB2 PRO 67 HB2 PRO 67 0.204 -12.019 -5.613 387 HB3 PRO 67 HB3 PRO 67 0.017 -10.321 -6.053 388 HG2 PRO 67 HG2 PRO 67 -1.166 -12.750 -7.321 389 HG3 PRO 67 HG3 PRO 67 -1.907 -11.161 -7.045 390 HD2 PRO 67 HD2 PRO 67 -0.898 -11.962 -9.470 391 HD3 PRO 67 HD3 PRO 67 -0.969 -10.268 -8.947 392 H PHE 68 H PHE 68 0.897 -13.568 -8.529 393 HA PHE 68 HA PHE 68 2.444 -15.293 -6.804 394 HB2 PHE 68 HB2 PHE 68 0.444 -15.639 -8.976 395 HB3 PHE 68 HB3 PHE 68 1.562 -16.957 -8.679 396 HD1 PHE 68 HD2 PHE 68 -0.827 -14.728 -6.893 397 HD2 PHE 68 HD1 PHE 68 1.074 -18.533 -7.074 398 HE1 PHE 68 HE2 PHE 68 -2.249 -15.524 -5.052 399 HE2 PHE 68 HE1 PHE 68 -0.340 -19.331 -5.228 400 HZ PHE 68 HZ PHE 68 -2.007 -17.826 -4.216 401 H GLY 69 H GLY 69 3.518 -13.277 -8.976 402 HA2 GLY 69 HA3 GLY 69 5.149 -15.205 -10.487 403 HA3 GLY 69 HA2 GLY 69 4.925 -13.511 -10.902 404 H THR 70 H THR 70 5.296 -12.970 -7.912 405 HA THR 70 HA THR 70 8.233 -13.173 -7.882 406 HB THR 70 HB THR 70 7.290 -10.856 -8.465 407 HG1 THR 70 HG1 THR 70 9.229 -10.376 -7.763 408 HG21 THR 70 HG21 THR 70 5.435 -10.886 -6.894 409 HG22 THR 70 HG22 THR 70 6.508 -9.514 -6.600 410 HG23 THR 70 HG23 THR 70 6.575 -10.927 -5.546 411 H ASN 71 H ASN 71 9.057 -12.634 -5.583 412 HA ASN 71 HA ASN 71 7.205 -13.731 -3.567 413 HB2 ASN 71 HB2 ASN 71 10.204 -14.011 -3.773 414 HB3 ASN 71 HB3 ASN 71 9.313 -14.365 -2.299 415 HD21 ASN 71 HD21 ASN 71 9.731 -16.488 -2.201 416 HD22 ASN 71 HD22 ASN 71 9.212 -17.651 -3.376 417 H THR 72 H THR 72 8.577 -10.958 -4.622 418 HA THR 72 HA THR 72 8.631 -9.780 -1.927 419 HB THR 72 HB THR 72 10.260 -8.773 -4.258 420 HG1 THR 72 HG1 THR 72 11.132 -10.474 -2.128 421 HG21 THR 72 HG21 THR 72 9.779 -7.236 -2.393 422 HG22 THR 72 HG22 THR 72 11.497 -7.616 -2.526 423 HG23 THR 72 HG23 THR 72 10.515 -8.387 -1.279 424 H TRP 73 H TRP 73 6.877 -8.562 -1.712 425 HA TRP 73 HA TRP 73 5.734 -7.240 -4.082 426 HB2 TRP 73 HB2 TRP 73 4.526 -7.945 -1.399 427 HB3 TRP 73 HB3 TRP 73 3.679 -7.042 -2.647 428 HD1 TRP 73 HD TRP 73 5.620 -9.602 -4.379 429 HE1 TRP 73 HE1 TRP 73 4.166 -11.648 -4.953 430 HE3 TRP 73 HE3 TRP 73 1.613 -8.607 -1.387 431 HZ2 TRP 73 HZ2 TRP 73 1.662 -12.690 -4.232 432 HZ3 TRP 73 HZ3 TRP 73 -0.273 -10.180 -1.388 433 HH2 TRP 73 HH TRP 73 -0.245 -12.180 -2.783 434 H PHE 74 H PHE 74 5.357 -5.020 -4.100 435 HA PHE 74 HA PHE 74 6.480 -3.548 -1.800 436 HB2 PHE 74 HB2 PHE 74 6.494 -2.565 -4.656 437 HB3 PHE 74 HB3 PHE 74 7.310 -1.842 -3.267 438 HD1 PHE 74 HD2 PHE 74 8.855 -3.786 -2.019 439 HD2 PHE 74 HD1 PHE 74 7.901 -3.517 -6.159 440 HE1 PHE 74 HE2 PHE 74 10.880 -5.075 -2.571 441 HE2 PHE 74 HE1 PHE 74 9.920 -4.801 -6.712 442 HZ PHE 74 HZ PHE 74 11.416 -5.576 -4.917 443 H TYR 75 H TYR 75 5.025 -2.467 -0.741 444 HA TYR 75 HA TYR 75 2.871 -1.097 -2.212 445 HB2 TYR 75 HB2 TYR 75 2.655 -2.386 0.513 446 HB3 TYR 75 HB3 TYR 75 1.380 -1.503 -0.297 447 HD1 TYR 75 HD1 TYR 75 0.824 -2.426 -2.740 448 HD2 TYR 75 HD2 TYR 75 2.607 -4.655 0.403 449 HE1 TYR 75 HE1 TYR 75 0.039 -4.505 -3.792 450 HE2 TYR 75 HE2 TYR 75 1.835 -6.752 -0.641 451 HH TYR 75 HH TYR 75 0.014 -7.458 -2.210 452 H VAL 76 H VAL 76 1.900 0.670 -0.489 453 HA VAL 76 HA VAL 76 4.302 1.962 0.620 454 HB VAL 76 HB VAL 76 3.590 2.794 -1.712 455 HG11 VAL 76 HG11 VAL 76 1.503 4.174 -0.052 456 HG12 VAL 76 HG12 VAL 76 1.221 3.002 -1.339 457 HG13 VAL 76 HG13 VAL 76 1.916 4.578 -1.718 458 HG21 VAL 76 HG21 VAL 76 4.271 5.067 -1.180 459 HG22 VAL 76 HG22 VAL 76 5.256 3.876 -0.332 460 HG23 VAL 76 HG23 VAL 76 3.990 4.748 0.531 461 H PHE 77 H PHE 77 3.713 3.912 1.944 462 HA PHE 77 HA PHE 77 1.401 3.196 3.635 463 HB2 PHE 77 HB2 PHE 77 4.053 4.447 4.274 464 HB3 PHE 77 HB3 PHE 77 2.679 4.690 5.339 465 HD1 PHE 77 HD2 PHE 77 2.566 1.528 3.729 466 HD2 PHE 77 HD1 PHE 77 4.316 3.616 6.995 467 HE1 PHE 77 HE2 PHE 77 3.016 -0.606 4.846 468 HE2 PHE 77 HE1 PHE 77 4.776 1.475 8.119 469 HZ PHE 77 HZ PHE 77 4.129 -0.641 7.043 470 H ARG 78 H ARG 78 -0.049 4.749 4.265 471 HA ARG 78 HA ARG 78 -0.380 6.852 2.369 472 HB2 ARG 78 HB2 ARG 78 -2.527 7.069 3.127 473 HB3 ARG 78 HB1 ARG 78 -2.200 5.434 3.676 474 HG2 ARG 78 HG2 ARG 78 -1.864 7.863 5.402 475 HG3 ARG 78 HG1 ARG 78 -3.361 6.927 5.320 476 HD2 ARG 78 HD2 ARG 78 -2.095 4.921 6.037 477 HD3 ARG 78 HD1 ARG 78 -0.651 5.921 6.195 478 HE ARG 78 HE ARG 78 -3.073 6.541 7.747 479 HH11 ARG 78 HH11 ARG 78 0.343 5.733 7.628 480 HH12 ARG 78 HH12 ARG 78 0.571 5.923 9.339 481 HH21 ARG 78 HH21 ARG 78 -2.752 6.799 9.997 482 HH22 ARG 78 HH22 ARG 78 -1.168 6.525 10.671 483 H GLN 79 H GLN 79 0.130 8.886 2.529 484 HA GLN 79 HA GLN 79 0.363 10.538 4.685 485 HB2 GLN 79 HB2 GLN 79 2.173 8.795 5.203 486 HB3 GLN 79 HB3 GLN 79 3.057 9.532 3.881 487 HG2 GLN 79 HG2 GLN 79 3.792 10.396 6.034 488 HG3 GLN 79 HG3 GLN 79 3.071 11.668 5.049 489 HE21 GLN 79 HE21 GLN 79 1.152 9.248 6.673 490 HE22 GLN 79 HE22 GLN 79 0.450 10.317 7.844 491 H GLN 80 H GLN 80 3.159 10.609 2.994 492 HA GLN 80 HA GLN 80 2.417 12.879 1.391 493 HB2 GLN 80 HB2 GLN 80 4.844 12.798 0.753 494 HB3 GLN 80 HB3 GLN 80 4.537 12.962 2.474 495 HG2 GLN 80 HG2 GLN 80 4.881 10.482 2.689 496 HG3 GLN 80 HG3 GLN 80 5.371 10.471 0.996 497 HE21 GLN 80 HE21 GLN 80 6.867 9.851 3.484 498 HE22 GLN 80 HE22 GLN 80 8.271 10.856 3.436 499 HA PRO 81 HA PRO 81 1.863 10.519 -2.376 500 HB2 PRO 81 HB2 PRO 81 2.103 13.038 -3.811 501 HB3 PRO 81 HB3 PRO 81 0.669 12.036 -3.574 502 HG2 PRO 81 HG2 PRO 81 0.968 14.480 -2.424 503 HG3 PRO 81 HG3 PRO 81 0.022 13.172 -1.690 504 HD2 PRO 81 HD2 PRO 81 2.820 14.061 -1.072 505 HD3 PRO 81 HD3 PRO 81 1.517 13.605 0.046 506 H GLY 82 H GLY 82 3.753 9.406 -2.713 507 HA2 GLY 82 HA3 GLY 82 6.245 10.868 -2.936 508 HA3 GLY 82 HA2 GLY 82 6.063 9.129 -2.810 509 H HIS 83 H HIS 83 4.657 11.371 -5.190 510 HA HIS 83 HA HIS 83 5.930 9.823 -7.311 511 HB2 HIS 83 HB2 HIS 83 3.548 10.585 -7.560 512 HB3 HIS 83 HB1 HIS 83 4.130 12.246 -7.590 513 HD1 HIS 83 HD1 HIS 83 3.994 13.047 -9.941 514 HD2 HIS 83 HD2 HIS 83 5.340 9.112 -9.707 515 HE1 HIS 83 HE1 HIS 83 4.535 12.371 -12.300 516 HE2 HIS 83 HE2 HIS 83 5.452 10.029 -12.128 517 H GLU 84 H GLU 84 8.057 10.357 -6.746 518 HA GLU 84 HA GLU 84 9.277 12.660 -7.782 519 HB2 GLU 84 HB2 GLU 84 7.889 13.536 -5.742 520 HB3 GLU 84 HB3 GLU 84 9.125 12.749 -4.770 521 HG2 GLU 84 HG2 GLU 84 10.833 14.142 -5.856 522 HG3 GLU 84 HG3 GLU 84 9.564 14.951 -6.775 523 H GLY 85 H GLY 85 11.358 12.804 -5.741 524 HA2 GLY 85 HA3 GLY 85 12.705 10.297 -5.979 525 HA3 GLY 85 HA2 GLY 85 13.183 11.644 -4.944 526 H VAL 86 H VAL 86 11.080 8.897 -5.262 527 HA VAL 86 HA VAL 86 9.348 8.952 -3.246 528 HB VAL 86 HB VAL 86 10.951 6.480 -3.653 529 HG11 VAL 86 HG11 VAL 86 9.222 6.715 -1.819 530 HG12 VAL 86 HG12 VAL 86 9.054 5.328 -2.900 531 HG13 VAL 86 HG13 VAL 86 8.019 6.743 -3.111 532 HG21 VAL 86 HG21 VAL 86 8.713 7.567 -5.349 533 HG22 VAL 86 HG22 VAL 86 9.344 5.924 -5.463 534 HG23 VAL 86 HG23 VAL 86 10.381 7.295 -5.857 535 H THR 87 H THR 87 9.308 9.161 -1.218 536 HA THR 87 HA THR 87 11.570 8.373 0.441 537 HB THR 87 HB THR 87 11.905 10.733 -0.146 538 HG1 THR 87 HG1 THR 87 12.290 9.861 2.086 539 HG21 THR 87 HG21 THR 87 9.625 11.377 -0.596 540 HG22 THR 87 HG22 THR 87 10.277 12.424 0.667 541 HG23 THR 87 HG23 THR 87 9.178 11.107 1.089 542 H GLN 88 H GLN 88 8.498 7.822 -0.044 543 HA GLN 88 HA GLN 88 7.171 8.304 2.378 544 HB2 GLN 88 HB2 GLN 88 6.603 5.853 0.789 545 HB3 GLN 88 HB3 GLN 88 5.497 6.967 1.534 546 HG2 GLN 88 HG2 GLN 88 6.407 8.593 -0.298 547 HG3 GLN 88 HG3 GLN 88 6.810 7.069 -1.072 548 HE21 GLN 88 HE21 GLN 88 4.056 7.509 1.006 549 HE22 GLN 88 HE22 GLN 88 2.861 7.274 -0.221 550 H GLN 89 H GLN 89 6.140 5.870 3.001 551 HA GLN 89 HA GLN 89 8.386 4.193 3.850 552 HB2 GLN 89 HB2 GLN 89 5.737 4.676 5.217 553 HB3 GLN 89 HB3 GLN 89 6.796 3.330 5.628 554 HG2 GLN 89 HG2 GLN 89 8.497 4.781 6.391 555 HG3 GLN 89 HG3 GLN 89 7.691 6.184 5.700 556 HE21 GLN 89 HE21 GLN 89 8.529 5.686 8.462 557 HE22 GLN 89 HE22 GLN 89 7.093 5.826 9.414 558 H THR 90 H THR 90 8.091 1.956 3.540 559 HA THR 90 HA THR 90 5.949 1.352 1.632 560 HB THR 90 HB THR 90 7.790 0.036 0.387 561 HG1 THR 90 HG1 THR 90 9.252 1.214 2.261 562 HG21 THR 90 HG21 THR 90 7.109 2.881 0.278 563 HG22 THR 90 HG22 THR 90 6.900 1.626 -0.944 564 HG23 THR 90 HG23 THR 90 8.484 2.365 -0.692 565 H LEU 91 H LEU 91 5.198 -0.695 1.584 566 HA LEU 91 HA LEU 91 6.129 -2.521 3.673 567 HB2 LEU 91 HB2 LEU 91 3.675 -2.031 3.433 568 HB3 LEU 91 HB3 LEU 91 3.734 -2.799 1.860 569 HG LEU 91 HG LEU 91 4.639 -4.857 3.105 570 HD11 LEU 91 HD11 LEU 91 3.473 -4.821 5.456 571 HD12 LEU 91 HD12 LEU 91 3.811 -3.086 5.331 572 HD13 LEU 91 HD13 LEU 91 5.133 -4.251 5.236 573 HD21 LEU 91 HD21 LEU 91 2.383 -5.611 3.751 574 HD22 LEU 91 HD22 LEU 91 2.455 -4.907 2.124 575 HD23 LEU 91 HD23 LEU 91 1.788 -3.968 3.462 576 H THR 92 H THR 92 7.457 -4.112 3.167 577 HA THR 92 HA THR 92 7.557 -5.023 0.364 578 HB THR 92 HB THR 92 9.763 -5.190 2.430 579 HG1 THR 92 HG1 THR 92 8.954 -3.111 0.973 580 HG21 THR 92 HG21 THR 92 9.815 -6.947 0.717 581 HG22 THR 92 HG22 THR 92 11.160 -5.817 0.530 582 HG23 THR 92 HG23 THR 92 9.761 -5.717 -0.541 583 H LEU 93 H LEU 93 6.303 -6.789 0.305 584 HA LEU 93 HA LEU 93 6.143 -8.443 2.688 585 HB2 LEU 93 HB2 LEU 93 4.157 -7.672 1.079 586 HB3 LEU 93 HB3 LEU 93 4.607 -9.155 0.246 587 HG LEU 93 HG LEU 93 4.338 -10.345 2.413 588 HD11 LEU 93 HD11 LEU 93 2.756 -8.840 3.922 589 HD12 LEU 93 HD12 LEU 93 3.777 -7.576 3.247 590 HD13 LEU 93 HD13 LEU 93 4.499 -8.913 4.146 591 HD21 LEU 93 HD21 LEU 93 1.809 -8.933 1.819 592 HD22 LEU 93 HD22 LEU 93 2.091 -10.635 2.159 593 HD23 LEU 93 HD23 LEU 93 2.538 -9.955 0.590 594 H THR 94 H THR 94 7.148 -10.332 2.923 595 HA THR 94 HA THR 94 8.617 -11.355 0.621 596 HB THR 94 HB THR 94 9.248 -11.276 3.564 597 HG1 THR 94 HG1 THR 94 9.756 -9.591 1.725 598 HG21 THR 94 HG21 THR 94 9.783 -13.465 2.703 599 HG22 THR 94 HG22 THR 94 11.252 -12.559 3.066 600 HG23 THR 94 HG23 THR 94 10.718 -12.750 1.393 601 H PHE 95 H PHE 95 8.061 -13.280 -0.081 602 HA PHE 95 HA PHE 95 6.500 -15.069 1.664 603 HB2 PHE 95 HB2 PHE 95 6.448 -14.656 -1.321 604 HB3 PHE 95 HB3 PHE 95 5.707 -16.048 -0.548 605 HD1 PHE 95 HD2 PHE 95 3.798 -15.778 0.897 606 HD2 PHE 95 HD1 PHE 95 5.444 -12.485 -1.204 607 HE1 PHE 95 HE2 PHE 95 1.742 -14.514 1.307 608 HE2 PHE 95 HE1 PHE 95 3.383 -11.203 -0.804 609 HZ PHE 95 HZ PHE 95 1.531 -12.231 0.459 610 H ASN 96 H ASN 96 7.096 -17.154 1.881 611 HA ASN 96 HA ASN 96 9.737 -17.923 1.077 612 HB2 ASN 96 HB2 ASN 96 9.224 -20.070 2.203 613 HB3 ASN 96 HB3 ASN 96 8.903 -18.677 3.220 614 HD21 ASN 96 HD21 ASN 96 7.505 -19.759 4.536 615 HD22 ASN 96 HD22 ASN 96 5.924 -20.241 4.031 616 H SER 97 H SER 97 9.621 -20.542 0.373 617 HA SER 97 HA SER 97 9.382 -20.345 -2.383 618 HB2 SER 97 HB2 SER 97 9.264 -22.922 -0.812 619 HB3 SER 97 HB3 SER 97 9.885 -22.687 -2.445 620 HG SER 97 HG SER 97 11.017 -21.948 0.027 621 H SER 98 H SER 98 6.974 -21.426 -0.034 622 HA SER 98 HA SER 98 5.283 -22.506 -2.141 623 HB2 SER 98 HB2 SER 98 5.542 -23.676 0.059 624 HB3 SER 98 HB3 SER 98 4.722 -22.319 0.829 625 HG SER 98 HG SER 98 3.256 -23.137 -1.250 626 H GLY 99 H GLY 99 5.926 -19.502 -1.396 627 HA2 GLY 99 HA3 GLY 99 4.796 -17.523 -1.709 628 HA3 GLY 99 HA2 GLY 99 3.444 -18.473 -2.312 629 H VAL 100 H VAL 100 4.871 -18.861 0.849 630 HA VAL 100 HA VAL 100 2.354 -17.939 2.064 631 HB VAL 100 HB VAL 100 4.499 -19.546 3.435 632 HG11 VAL 100 HG11 VAL 100 2.691 -18.294 4.703 633 HG12 VAL 100 HG12 VAL 100 2.865 -20.014 5.054 634 HG13 VAL 100 HG13 VAL 100 1.554 -19.453 4.014 635 HG21 VAL 100 HG21 VAL 100 2.149 -20.549 1.845 636 HG22 VAL 100 HG22 VAL 100 3.077 -21.536 2.973 637 HG23 VAL 100 HG23 VAL 100 3.859 -20.867 1.540 638 H LEU 101 H LEU 101 2.382 -16.322 3.592 639 HA LEU 101 HA LEU 101 4.454 -14.452 3.521 640 HB2 LEU 101 HB2 LEU 101 1.917 -14.781 4.923 641 HB3 LEU 101 HB3 LEU 101 3.113 -13.864 5.819 642 HG LEU 101 HG LEU 101 2.072 -13.254 3.072 643 HD11 LEU 101 HD11 LEU 101 1.883 -11.756 5.666 644 HD12 LEU 101 HD12 LEU 101 0.575 -12.680 4.929 645 HD13 LEU 101 HD13 LEU 101 1.207 -11.243 4.122 646 HD21 LEU 101 HD21 LEU 101 4.136 -11.785 4.671 647 HD22 LEU 101 HD22 LEU 101 3.500 -11.314 3.097 648 HD23 LEU 101 HD23 LEU 101 4.473 -12.784 3.263 649 H THR 102 H THR 102 6.284 -14.377 4.445 650 HA THR 102 HA THR 102 6.714 -15.860 6.946 651 HB THR 102 HB THR 102 9.025 -16.053 6.400 652 HG1 THR 102 HG1 THR 102 9.967 -14.929 4.682 653 HG21 THR 102 HG21 THR 102 7.311 -17.398 5.044 654 HG22 THR 102 HG22 THR 102 8.969 -17.337 4.445 655 HG23 THR 102 HG23 THR 102 7.726 -16.316 3.716 656 H ASN 103 H ASN 103 7.363 -12.824 5.255 657 HA ASN 103 HA ASN 103 7.501 -11.501 7.889 658 HB2 ASN 103 HB2 ASN 103 9.465 -11.117 5.643 659 HB3 ASN 103 HB3 ASN 103 9.251 -9.938 6.910 660 HD21 ASN 103 HD21 ASN 103 11.324 -10.103 7.637 661 HD22 ASN 103 HD22 ASN 103 11.938 -11.498 8.460 662 H ILE 104 H ILE 104 6.909 -9.406 7.959 663 HA ILE 104 HA ILE 104 5.740 -8.203 5.526 664 HB ILE 104 HB ILE 104 5.006 -7.225 8.261 665 HG12 ILE 104 HG12 ILE 104 4.588 -9.687 8.304 666 HG13 ILE 104 HG13 ILE 104 3.141 -8.713 8.503 667 HG21 ILE 104 HG21 ILE 104 3.606 -7.246 5.588 668 HG22 ILE 104 HG22 ILE 104 4.312 -5.874 6.439 669 HG23 ILE 104 HG23 ILE 104 2.876 -6.669 7.089 670 HD11 ILE 104 HD11 ILE 104 2.712 -9.099 6.047 671 HD12 ILE 104 HD12 ILE 104 2.558 -10.499 7.113 672 HD13 ILE 104 HD13 ILE 104 4.003 -10.303 6.115 673 H ASP 105 H ASP 105 7.587 -7.080 4.889 674 HA ASP 105 HA ASP 105 9.207 -5.788 6.927 675 HB2 ASP 105 HB2 ASP 105 10.235 -7.049 5.044 676 HB3 ASP 105 HB3 ASP 105 9.592 -5.857 3.930 677 H ASN 106 H ASN 106 8.096 -4.026 7.670 678 HA ASN 106 HA ASN 106 7.340 -2.042 5.662 679 HB2 ASN 106 HB2 ASN 106 6.067 -0.980 7.582 680 HB3 ASN 106 HB3 ASN 106 5.439 -2.494 6.967 681 HD21 ASN 106 HD21 ASN 106 5.532 -4.319 8.260 682 HD22 ASN 106 HD22 ASN 106 5.843 -4.234 9.959 683 H LYS 107 H LYS 107 8.949 -0.797 5.262 684 HA LYS 107 HA LYS 107 10.335 0.550 7.456 685 HB2 LYS 107 HB2 LYS 107 12.499 0.009 6.582 686 HB3 LYS 107 HB1 LYS 107 11.610 -1.495 6.673 687 HG2 LYS 107 HG2 LYS 107 11.122 -1.388 4.306 688 HG3 LYS 107 HG1 LYS 107 11.989 0.141 4.211 689 HD2 LYS 107 HD2 LYS 107 14.057 -0.942 4.843 690 HD3 LYS 107 HD1 LYS 107 13.214 -2.473 5.088 691 HE2 LYS 107 HE2 LYS 107 13.583 -1.001 2.482 692 HE3 LYS 107 HE1 LYS 107 14.355 -2.511 2.964 693 HZ1 LYS 107 HZ1 LYS 107 11.526 -2.037 2.264 694 HZ2 LYS 107 HZ2 LYS 107 11.980 -3.392 3.171 695 HZ3 LYS 107 HZ3 LYS 107 12.603 -3.166 1.606 696 HA PRO 108 HA PRO 108 10.032 4.051 4.803 697 HB2 PRO 108 HB2 PRO 108 12.470 5.205 4.562 698 HB3 PRO 108 HB3 PRO 108 11.532 5.243 6.059 699 HG2 PRO 108 HG2 PRO 108 13.846 3.515 5.308 700 HG3 PRO 108 HG3 PRO 108 13.457 4.257 6.871 701 HD2 PRO 108 HD2 PRO 108 12.985 1.633 6.246 702 HD3 PRO 108 HD3 PRO 108 12.080 2.536 7.466 703 H ALA 109 H ALA 109 10.758 5.188 2.774 704 HA ALA 109 HA ALA 109 11.045 3.277 0.674 705 HB1 ALA 109 HB1 ALA 109 11.027 6.274 0.529 706 HB2 ALA 109 HB2 ALA 109 9.618 5.218 0.456 707 HB3 ALA 109 HB3 ALA 109 10.832 5.153 -0.822 708 H LEU 110 H LEU 110 12.468 4.229 -1.208 709 HA LEU 110 HA LEU 110 15.036 3.322 -0.696 710 HB2 LEU 110 HB2 LEU 110 14.236 5.175 -2.933 711 HB3 LEU 110 HB3 LEU 110 15.551 4.011 -2.929 712 HG LEU 110 HG LEU 110 12.636 3.243 -2.744 713 HD11 LEU 110 HD11 LEU 110 14.426 2.976 -5.139 714 HD12 LEU 110 HD12 LEU 110 13.368 4.370 -4.908 715 HD13 LEU 110 HD13 LEU 110 12.679 2.752 -5.051 716 HD21 LEU 110 HD21 LEU 110 14.352 1.676 -1.812 717 HD22 LEU 110 HD22 LEU 110 15.051 1.588 -3.433 718 HD23 LEU 110 HD23 LEU 110 13.405 1.024 -3.151 719 H SER 111 H SER 111 13.940 6.676 -1.150 720 HA SER 111 HA SER 111 16.512 7.567 -0.088 721 HB2 SER 111 HB2 SER 111 16.455 7.924 -2.489 722 HB3 SER 111 HB3 SER 111 14.898 8.737 -2.360 723 HG SER 111 HG SER 111 15.841 10.504 -1.617 724 H GLY 112 H GLY 112 16.470 9.743 0.856 725 HA2 GLY 112 HA3 GLY 112 15.436 11.637 1.738 726 HA3 GLY 112 HA2 GLY 112 13.880 10.924 1.412 727 H ASN 113 H ASN 113 16.401 11.327 3.617 728 HA ASN 113 HA ASN 113 14.707 10.207 5.747 729 HB2 ASN 113 HB2 ASN 113 17.718 9.985 5.519 730 HB3 ASN 113 HB3 ASN 113 16.830 9.655 7.000 731 HD21 ASN 113 HD21 ASN 113 14.587 8.493 5.410 732 HD22 ASN 113 HD22 ASN 113 15.136 6.917 4.962 Start of MODEL 20 1 H1 GLY 17 H1 GLY 17 -7.282 36.248 7.372 2 H2 GLY 17 H2 GLY 17 -8.269 36.906 6.156 3 H3 GLY 17 H3 GLY 17 -7.200 35.645 5.789 4 HA2 GLY 17 HA2 GLY 17 -8.424 34.118 7.156 5 HA3 GLY 17 HA3 GLY 17 -9.505 35.416 7.644 6 H SER 18 H SER 18 -11.173 33.905 6.810 7 HA SER 18 HA SER 18 -11.294 33.332 4.034 8 HB2 SER 18 HB2 SER 18 -13.536 33.380 6.068 9 HB3 SER 18 HB3 SER 18 -13.585 32.601 4.485 10 HG SER 18 HG SER 18 -11.627 31.425 5.326 11 H HIS 19 H HIS 19 -12.600 35.930 6.055 12 HA HIS 19 HA HIS 19 -12.566 37.637 3.747 13 HB2 HIS 19 HB2 HIS 19 -14.896 38.413 3.909 14 HB3 HIS 19 HB1 HIS 19 -14.790 36.722 3.442 15 HD1 HIS 19 HD1 HIS 19 -16.222 38.985 5.950 16 HD2 HIS 19 HD2 HIS 19 -15.627 34.894 5.494 17 HE1 HIS 19 HE1 HIS 19 -17.704 37.888 7.656 18 HE2 HIS 19 HE2 HIS 19 -17.543 35.426 7.152 19 H MET 20 H MET 20 -11.490 37.319 6.545 20 HA MET 20 HA MET 20 -10.987 40.001 7.026 21 HB2 MET 20 HB2 MET 20 -13.447 39.862 7.809 22 HB3 MET 20 HB3 MET 20 -12.824 38.948 9.175 23 HG2 MET 20 HG2 MET 20 -11.971 41.738 8.430 24 HG3 MET 20 HG3 MET 20 -13.159 41.341 9.665 25 HE1 MET 20 HE1 MET 20 -9.984 42.621 11.659 26 HE2 MET 20 HE2 MET 20 -11.708 42.872 11.380 27 HE3 MET 20 HE3 MET 20 -10.549 43.183 10.086 28 H SER 21 H SER 21 -11.780 37.687 9.568 29 HA SER 21 HA SER 21 -8.898 37.218 9.946 30 HB2 SER 21 HB2 SER 21 -9.537 36.910 12.409 31 HB3 SER 21 HB3 SER 21 -9.580 38.559 11.787 32 HG SER 21 HG SER 21 -11.638 38.626 12.183 33 H THR 22 H THR 22 -11.912 35.853 11.224 34 HA THR 22 HA THR 22 -12.863 33.804 11.099 35 HB THR 22 HB THR 22 -11.120 33.126 8.745 36 HG1 THR 22 HG1 THR 22 -12.918 35.232 9.020 37 HG21 THR 22 HG21 THR 22 -13.140 32.024 7.963 38 HG22 THR 22 HG22 THR 22 -14.036 32.638 9.352 39 HG23 THR 22 HG23 THR 22 -12.740 31.466 9.588 40 H LEU 23 H LEU 23 -12.067 32.962 12.996 41 HA LEU 23 HA LEU 23 -9.401 31.850 13.115 42 HB2 LEU 23 HB2 LEU 23 -11.614 31.964 15.170 43 HB3 LEU 23 HB3 LEU 23 -10.021 31.304 15.473 44 HG LEU 23 HG LEU 23 -9.122 33.624 14.840 45 HD11 LEU 23 HD11 LEU 23 -10.670 35.482 15.224 46 HD12 LEU 23 HD12 LEU 23 -12.009 34.341 15.342 47 HD13 LEU 23 HD13 LEU 23 -11.136 34.522 13.821 48 HD21 LEU 23 HD21 LEU 23 -10.793 33.344 17.330 49 HD22 LEU 23 HD22 LEU 23 -9.431 34.441 17.091 50 HD23 LEU 23 HD23 LEU 23 -9.165 32.698 17.112 51 H GLU 24 H GLU 24 -10.162 30.338 11.294 52 HA GLU 24 HA GLU 24 -11.702 28.052 12.201 53 HB2 GLU 24 HB2 GLU 24 -10.316 28.582 9.568 54 HB3 GLU 24 HB3 GLU 24 -11.350 27.200 9.904 55 HG2 GLU 24 HG2 GLU 24 -12.171 30.094 9.873 56 HG3 GLU 24 HG3 GLU 24 -12.566 28.868 8.670 57 H ARG 25 H ARG 25 -10.062 27.644 13.928 58 HA ARG 25 HA ARG 25 -7.659 26.305 12.930 59 HB2 ARG 25 HB2 ARG 25 -8.420 26.890 15.797 60 HB3 ARG 25 HB1 ARG 25 -6.850 26.364 15.207 61 HG2 ARG 25 HG2 ARG 25 -6.793 28.513 13.861 62 HG3 ARG 25 HG1 ARG 25 -8.182 29.027 14.822 63 HD2 ARG 25 HD2 ARG 25 -6.229 29.902 15.865 64 HD3 ARG 25 HD1 ARG 25 -6.824 28.578 16.868 65 HE ARG 25 HE ARG 25 -4.910 27.589 15.042 66 HH11 ARG 25 HH11 ARG 25 -5.147 29.544 17.939 67 HH12 ARG 25 HH12 ARG 25 -3.527 29.206 18.454 68 HH21 ARG 25 HH21 ARG 25 -2.767 27.145 15.723 69 HH22 ARG 25 HH22 ARG 25 -2.176 27.855 17.197 70 H VAL 26 H VAL 26 -8.423 24.390 12.162 71 HA VAL 26 HA VAL 26 -10.080 22.722 13.896 72 HB VAL 26 HB VAL 26 -10.283 21.225 11.940 73 HG11 VAL 26 HG11 VAL 26 -11.674 22.717 10.583 74 HG12 VAL 26 HG12 VAL 26 -10.940 24.116 11.367 75 HG13 VAL 26 HG13 VAL 26 -11.925 22.994 12.306 76 HG21 VAL 26 HG21 VAL 26 -9.456 21.949 9.755 77 HG22 VAL 26 HG22 VAL 26 -8.129 21.700 10.891 78 HG23 VAL 26 HG23 VAL 26 -8.669 23.336 10.509 79 H VAL 27 H VAL 27 -9.422 20.221 13.402 80 HA VAL 27 HA VAL 27 -6.571 19.966 13.975 81 HB VAL 27 HB VAL 27 -8.162 19.930 16.041 82 HG11 VAL 27 HG11 VAL 27 -9.803 18.391 15.135 83 HG12 VAL 27 HG12 VAL 27 -9.068 17.727 16.593 84 HG13 VAL 27 HG13 VAL 27 -8.576 17.129 15.005 85 HG21 VAL 27 HG21 VAL 27 -6.220 17.646 15.754 86 HG22 VAL 27 HG22 VAL 27 -6.705 18.467 17.234 87 HG23 VAL 27 HG23 VAL 27 -5.744 19.321 16.026 88 H TYR 28 H TYR 28 -6.068 17.432 14.017 89 HA TYR 28 HA TYR 28 -6.323 16.333 11.539 90 HB2 TYR 28 HB2 TYR 28 -6.050 14.978 14.218 91 HB3 TYR 28 HB3 TYR 28 -5.912 14.123 12.691 92 HD1 TYR 28 HD2 TYR 28 -4.074 14.816 11.100 93 HD2 TYR 28 HD1 TYR 28 -4.206 16.106 15.147 94 HE1 TYR 28 HE2 TYR 28 -1.668 15.330 11.005 95 HE2 TYR 28 HE1 TYR 28 -1.801 16.622 15.070 96 HH TYR 28 HH TYR 28 -0.032 16.753 12.165 97 H ARG 29 H ARG 29 -7.906 15.433 10.390 98 HA ARG 29 HA ARG 29 -10.001 13.967 11.822 99 HB2 ARG 29 HB2 ARG 29 -10.968 16.064 10.922 100 HB3 ARG 29 HB1 ARG 29 -10.436 15.598 9.308 101 HG2 ARG 29 HG2 ARG 29 -11.855 13.611 9.412 102 HG3 ARG 29 HG1 ARG 29 -12.389 14.078 11.025 103 HD2 ARG 29 HD2 ARG 29 -13.302 16.174 10.053 104 HD3 ARG 29 HD1 ARG 29 -12.877 15.566 8.449 105 HE ARG 29 HE ARG 29 -14.357 13.556 9.491 106 HH11 ARG 29 HH11 ARG 29 -14.914 16.982 9.066 107 HH12 ARG 29 HH12 ARG 29 -16.648 16.831 9.037 108 HH21 ARG 29 HH21 ARG 29 -16.628 13.332 9.414 109 HH22 ARG 29 HH22 ARG 29 -17.624 14.751 9.219 110 HA PRO 30 HA PRO 30 -8.338 10.593 9.382 111 HB2 PRO 30 HB2 PRO 30 -11.015 9.505 10.089 112 HB3 PRO 30 HB3 PRO 30 -9.422 8.774 10.252 113 HG2 PRO 30 HG2 PRO 30 -10.701 9.721 12.378 114 HG3 PRO 30 HG3 PRO 30 -8.945 9.884 12.200 115 HD2 PRO 30 HD2 PRO 30 -11.065 11.924 11.871 116 HD3 PRO 30 HD3 PRO 30 -9.415 12.093 12.477 117 H ASP 31 H ASP 31 -8.380 10.649 7.256 118 HA ASP 31 HA ASP 31 -10.579 10.062 5.633 119 HB2 ASP 31 HB2 ASP 31 -11.327 12.352 6.250 120 HB3 ASP 31 HB3 ASP 31 -9.806 12.969 5.628 121 H ILE 32 H ILE 32 -9.148 8.785 4.580 122 HA ILE 32 HA ILE 32 -6.599 9.692 3.705 123 HB ILE 32 HB ILE 32 -8.117 7.236 2.825 124 HG12 ILE 32 HG12 ILE 32 -7.619 7.404 5.273 125 HG13 ILE 32 HG13 ILE 32 -6.814 6.063 4.473 126 HG21 ILE 32 HG21 ILE 32 -5.795 6.459 2.251 127 HG22 ILE 32 HG22 ILE 32 -5.275 8.137 2.429 128 HG23 ILE 32 HG23 ILE 32 -6.458 7.706 1.192 129 HD11 ILE 32 HD11 ILE 32 -5.425 7.329 6.103 130 HD12 ILE 32 HD12 ILE 32 -5.481 8.696 4.999 131 HD13 ILE 32 HD13 ILE 32 -4.729 7.180 4.496 132 H ASN 33 H ASN 33 -5.939 10.328 1.749 133 HA ASN 33 HA ASN 33 -7.993 11.293 -0.106 134 HB2 ASN 33 HB2 ASN 33 -5.045 11.912 -0.174 135 HB3 ASN 33 HB3 ASN 33 -6.371 12.871 -0.830 136 HD21 ASN 33 HD21 ASN 33 -4.536 12.036 1.961 137 HD22 ASN 33 HD22 ASN 33 -5.187 13.226 3.021 138 H GLN 34 H GLN 34 -6.052 8.673 0.284 139 HA GLN 34 HA GLN 34 -5.381 8.456 -2.548 140 HB2 GLN 34 HB2 GLN 34 -3.241 7.333 -1.700 141 HB3 GLN 34 HB3 GLN 34 -3.358 9.085 -1.631 142 HG2 GLN 34 HG2 GLN 34 -4.103 8.840 0.749 143 HG3 GLN 34 HG3 GLN 34 -3.692 7.133 0.621 144 HE21 GLN 34 HE21 GLN 34 -1.586 6.509 0.636 145 HE22 GLN 34 HE22 GLN 34 -0.292 7.590 1.001 146 H GLY 35 H GLY 35 -7.579 7.254 -1.586 147 HA2 GLY 35 HA3 GLY 35 -7.050 4.468 -1.072 148 HA3 GLY 35 HA2 GLY 35 -8.613 5.177 -1.453 149 H ASN 36 H ASN 36 -5.506 4.972 -3.128 150 HA ASN 36 HA ASN 36 -6.907 3.933 -5.509 151 HB2 ASN 36 HB2 ASN 36 -6.092 6.334 -5.672 152 HB3 ASN 36 HB3 ASN 36 -4.457 5.715 -5.515 153 HD21 ASN 36 HD21 ASN 36 -5.657 7.205 -7.651 154 HD22 ASN 36 HD22 ASN 36 -5.475 6.237 -9.072 155 H TYR 37 H TYR 37 -3.784 4.213 -3.883 156 HA TYR 37 HA TYR 37 -3.103 1.503 -4.757 157 HB2 TYR 37 HB2 TYR 37 -0.774 2.272 -3.820 158 HB3 TYR 37 HB3 TYR 37 -1.299 2.827 -5.404 159 HD1 TYR 37 HD2 TYR 37 -1.283 3.839 -1.822 160 HD2 TYR 37 HD1 TYR 37 -1.315 5.097 -5.881 161 HE1 TYR 37 HE2 TYR 37 -1.009 6.174 -1.096 162 HE2 TYR 37 HE1 TYR 37 -1.043 7.432 -5.171 163 HH TYR 37 HH TYR 37 -1.494 8.803 -3.172 164 H LEU 38 H LEU 38 -1.239 0.988 -2.639 165 HA LEU 38 HA LEU 38 -3.160 0.307 -0.603 166 HB2 LEU 38 HB2 LEU 38 -1.267 -1.203 -1.414 167 HB3 LEU 38 HB3 LEU 38 -0.204 -0.213 -0.426 168 HG LEU 38 HG LEU 38 -2.056 -0.780 1.406 169 HD11 LEU 38 HD11 LEU 38 -3.512 -2.051 0.079 170 HD12 LEU 38 HD12 LEU 38 -2.653 -3.212 1.092 171 HD13 LEU 38 HD13 LEU 38 -2.195 -2.999 -0.601 172 HD21 LEU 38 HD21 LEU 38 -0.644 -2.596 2.193 173 HD22 LEU 38 HD22 LEU 38 0.323 -1.228 1.642 174 HD23 LEU 38 HD23 LEU 38 0.161 -2.660 0.625 175 H THR 39 H THR 39 -3.033 0.849 1.551 176 HA THR 39 HA THR 39 -1.256 3.062 2.278 177 HB THR 39 HB THR 39 -2.967 4.083 3.624 178 HG1 THR 39 HG1 THR 39 -4.641 1.908 2.783 179 HG21 THR 39 HG21 THR 39 -2.942 4.185 0.968 180 HG22 THR 39 HG22 THR 39 -4.111 5.078 1.937 181 HG23 THR 39 HG23 THR 39 -4.568 3.545 1.192 182 H ALA 40 H ALA 40 -1.590 3.287 4.876 183 HA ALA 40 HA ALA 40 -0.419 0.935 5.979 184 HB1 ALA 40 HB1 ALA 40 -1.539 3.330 7.420 185 HB2 ALA 40 HB2 ALA 40 0.102 3.191 6.787 186 HB3 ALA 40 HB3 ALA 40 -0.437 2.125 8.086 187 H ASN 41 H ASN 41 -3.644 2.248 5.874 188 HA ASN 41 HA ASN 41 -4.863 0.749 7.910 189 HB2 ASN 41 HB2 ASN 41 -5.984 1.824 5.312 190 HB3 ASN 41 HB3 ASN 41 -6.965 1.097 6.574 191 HD21 ASN 41 HD21 ASN 41 -7.112 3.765 5.514 192 HD22 ASN 41 HD22 ASN 41 -6.842 4.836 6.844 193 H ASP 42 H ASP 42 -4.275 0.115 4.525 194 HA ASP 42 HA ASP 42 -5.616 -2.371 4.410 195 HB2 ASP 42 HB2 ASP 42 -3.360 -1.335 2.693 196 HB3 ASP 42 HB3 ASP 42 -4.397 -2.705 2.308 197 H VAL 43 H VAL 43 -2.290 -1.453 5.147 198 HA VAL 43 HA VAL 43 -1.158 -4.013 5.158 199 HB VAL 43 HB VAL 43 -0.399 -1.602 6.815 200 HG11 VAL 43 HG11 VAL 43 1.096 -4.164 6.320 201 HG12 VAL 43 HG12 VAL 43 0.418 -3.636 7.867 202 HG13 VAL 43 HG13 VAL 43 1.751 -2.736 7.134 203 HG21 VAL 43 HG21 VAL 43 1.081 -2.714 4.499 204 HG22 VAL 43 HG22 VAL 43 1.143 -1.084 5.171 205 HG23 VAL 43 HG23 VAL 43 -0.266 -1.607 4.240 206 H SER 44 H SER 44 -2.847 -2.238 7.704 207 HA SER 44 HA SER 44 -2.391 -4.089 9.766 208 HB2 SER 44 HB2 SER 44 -4.107 -2.960 10.989 209 HB3 SER 44 HB3 SER 44 -3.215 -1.765 10.059 210 HG SER 44 HG SER 44 -4.938 -1.965 8.459 211 H LYS 45 H LYS 45 -4.405 -4.227 7.024 212 HA LYS 45 HA LYS 45 -6.396 -5.989 8.076 213 HB2 LYS 45 HB2 LYS 45 -5.681 -5.227 5.262 214 HB3 LYS 45 HB1 LYS 45 -7.075 -6.207 5.701 215 HG2 LYS 45 HG2 LYS 45 -7.988 -4.364 6.991 216 HG3 LYS 45 HG1 LYS 45 -6.570 -3.379 6.618 217 HD2 LYS 45 HD2 LYS 45 -8.407 -2.780 5.158 218 HD3 LYS 45 HD1 LYS 45 -7.121 -3.555 4.226 219 HE2 LYS 45 HE2 LYS 45 -9.119 -4.539 3.458 220 HE3 LYS 45 HE1 LYS 45 -8.390 -5.717 4.560 221 HZ1 LYS 45 HZ1 LYS 45 -9.877 -4.833 6.316 222 HZ2 LYS 45 HZ2 LYS 45 -10.700 -5.583 5.040 223 HZ3 LYS 45 HZ3 LYS 45 -10.656 -3.890 5.142 224 H ILE 46 H ILE 46 -3.285 -6.422 6.496 225 HA ILE 46 HA ILE 46 -3.843 -9.223 6.102 226 HB ILE 46 HB ILE 46 -1.585 -9.420 5.202 227 HG12 ILE 46 HG12 ILE 46 -1.367 -6.408 5.421 228 HG13 ILE 46 HG13 ILE 46 -0.551 -7.540 6.500 229 HG21 ILE 46 HG21 ILE 46 -2.027 -8.299 3.140 230 HG22 ILE 46 HG22 ILE 46 -3.170 -7.216 3.936 231 HG23 ILE 46 HG23 ILE 46 -3.522 -8.943 3.818 232 HD11 ILE 46 HD11 ILE 46 -0.210 -7.845 3.557 233 HD12 ILE 46 HD12 ILE 46 0.894 -8.258 4.881 234 HD13 ILE 46 HD13 ILE 46 0.679 -6.568 4.414 235 H ARG 47 H ARG 47 -1.894 -10.653 6.629 236 HA ARG 47 HA ARG 47 -0.626 -10.210 9.140 237 HB2 ARG 47 HB2 ARG 47 -1.824 -11.911 10.435 238 HB3 ARG 47 HB1 ARG 47 -2.924 -10.630 9.952 239 HG2 ARG 47 HG2 ARG 47 -2.695 -13.117 8.314 240 HG3 ARG 47 HG1 ARG 47 -3.676 -13.097 9.780 241 HD2 ARG 47 HD2 ARG 47 -3.993 -11.233 7.420 242 HD3 ARG 47 HD1 ARG 47 -4.998 -12.645 7.757 243 HE ARG 47 HE ARG 47 -4.860 -10.624 9.848 244 HH11 ARG 47 HH11 ARG 47 -6.664 -11.955 7.142 245 HH12 ARG 47 HH12 ARG 47 -8.149 -11.193 7.610 246 HH21 ARG 47 HH21 ARG 47 -6.813 -9.619 10.435 247 HH22 ARG 47 HH22 ARG 47 -8.239 -9.861 9.462 248 H VAL 48 H VAL 48 0.923 -11.699 9.557 249 HA VAL 48 HA VAL 48 1.840 -13.207 7.333 250 HB VAL 48 HB VAL 48 2.901 -13.769 10.033 251 HG11 VAL 48 HG11 VAL 48 4.211 -13.040 7.421 252 HG12 VAL 48 HG12 VAL 48 3.926 -14.687 7.997 253 HG13 VAL 48 HG13 VAL 48 5.031 -13.627 8.872 254 HG21 VAL 48 HG21 VAL 48 3.069 -11.094 8.695 255 HG22 VAL 48 HG22 VAL 48 4.189 -11.616 9.956 256 HG23 VAL 48 HG23 VAL 48 2.466 -11.449 10.314 257 H GLY 49 H GLY 49 1.876 -15.436 7.064 258 HA2 GLY 49 HA3 GLY 49 1.421 -17.649 8.066 259 HA3 GLY 49 HA2 GLY 49 0.027 -16.903 8.837 260 H MET 50 H MET 50 -0.682 -15.333 6.446 261 HA MET 50 HA MET 50 -1.965 -17.489 5.002 262 HB2 MET 50 HB2 MET 50 -3.172 -15.695 3.763 263 HB3 MET 50 HB3 MET 50 -3.476 -15.738 5.488 264 HG2 MET 50 HG2 MET 50 -1.973 -13.819 5.765 265 HG3 MET 50 HG3 MET 50 -1.683 -13.821 4.031 266 HE1 MET 50 HE1 MET 50 -3.676 -10.776 3.753 267 HE2 MET 50 HE2 MET 50 -2.117 -11.446 4.270 268 HE3 MET 50 HE3 MET 50 -3.285 -10.903 5.475 269 H THR 51 H THR 51 -2.225 -16.885 2.517 270 HA THR 51 HA THR 51 0.487 -17.364 1.601 271 HB THR 51 HB THR 51 -0.460 -18.393 -0.325 272 HG1 THR 51 HG1 THR 51 -2.674 -18.248 -0.782 273 HG21 THR 51 HG21 THR 51 -1.923 -18.965 2.202 274 HG22 THR 51 HG22 THR 51 -0.608 -19.880 1.460 275 HG23 THR 51 HG23 THR 51 -2.221 -19.895 0.740 276 H GLN 52 H GLN 52 0.473 -16.794 -0.977 277 HA GLN 52 HA GLN 52 0.624 -13.990 -1.179 278 HB2 GLN 52 HB2 GLN 52 0.602 -16.161 -3.274 279 HB3 GLN 52 HB3 GLN 52 0.854 -14.462 -3.627 280 HG2 GLN 52 HG2 GLN 52 2.825 -14.467 -2.161 281 HG3 GLN 52 HG3 GLN 52 2.587 -16.192 -1.892 282 HE21 GLN 52 HE21 GLN 52 4.836 -14.746 -3.071 283 HE22 GLN 52 HE22 GLN 52 5.060 -15.407 -4.649 284 H GLN 53 H GLN 53 -1.784 -16.374 -2.293 285 HA GLN 53 HA GLN 53 -3.316 -14.511 -3.771 286 HB2 GLN 53 HB2 GLN 53 -5.101 -16.149 -3.739 287 HB3 GLN 53 HB3 GLN 53 -3.579 -16.936 -4.071 288 HG2 GLN 53 HG2 GLN 53 -3.528 -17.912 -1.973 289 HG3 GLN 53 HG3 GLN 53 -4.770 -16.845 -1.334 290 HE21 GLN 53 HE21 GLN 53 -6.916 -17.225 -1.834 291 HE22 GLN 53 HE22 GLN 53 -7.454 -18.743 -2.501 292 H GLN 54 H GLN 54 -3.387 -15.563 -0.453 293 HA GLN 54 HA GLN 54 -5.753 -14.326 0.357 294 HB2 GLN 54 HB2 GLN 54 -3.240 -14.642 1.997 295 HB3 GLN 54 HB3 GLN 54 -4.870 -14.440 2.616 296 HG2 GLN 54 HG2 GLN 54 -4.599 -16.723 0.840 297 HG3 GLN 54 HG3 GLN 54 -3.555 -16.811 2.256 298 HE21 GLN 54 HE21 GLN 54 -4.578 -18.348 3.368 299 HE22 GLN 54 HE22 GLN 54 -6.203 -18.215 3.967 300 H VAL 55 H VAL 55 -2.421 -13.115 0.258 301 HA VAL 55 HA VAL 55 -3.096 -10.623 1.454 302 HB VAL 55 HB VAL 55 -0.620 -11.558 0.027 303 HG11 VAL 55 HG11 VAL 55 -1.058 -8.973 1.506 304 HG12 VAL 55 HG12 VAL 55 -0.937 -9.123 -0.246 305 HG13 VAL 55 HG13 VAL 55 0.453 -9.513 0.770 306 HG21 VAL 55 HG21 VAL 55 -0.891 -10.806 2.893 307 HG22 VAL 55 HG22 VAL 55 0.283 -11.885 2.125 308 HG23 VAL 55 HG23 VAL 55 -1.395 -12.413 2.339 309 H ALA 56 H ALA 56 -2.479 -11.659 -1.908 310 HA ALA 56 HA ALA 56 -2.631 -9.050 -2.990 311 HB1 ALA 56 HB1 ALA 56 -3.440 -11.542 -4.472 312 HB2 ALA 56 HB2 ALA 56 -1.761 -11.075 -4.203 313 HB3 ALA 56 HB3 ALA 56 -2.827 -10.031 -5.137 314 H TYR 57 H TYR 57 -5.033 -11.262 -1.883 315 HA TYR 57 HA TYR 57 -7.207 -9.926 -3.210 316 HB2 TYR 57 HB2 TYR 57 -6.977 -12.117 -1.187 317 HB3 TYR 57 HB3 TYR 57 -8.541 -11.383 -1.531 318 HD1 TYR 57 HD2 TYR 57 -6.081 -11.582 -4.203 319 HD2 TYR 57 HD1 TYR 57 -9.345 -13.597 -2.347 320 HE1 TYR 57 HE2 TYR 57 -6.303 -13.019 -6.166 321 HE2 TYR 57 HE1 TYR 57 -9.562 -15.054 -4.319 322 HH TYR 57 HH TYR 57 -7.181 -15.256 -6.729 323 H ALA 58 H ALA 58 -5.769 -9.948 0.009 324 HA ALA 58 HA ALA 58 -7.629 -8.123 1.172 325 HB1 ALA 58 HB1 ALA 58 -4.852 -8.830 2.133 326 HB2 ALA 58 HB2 ALA 58 -6.310 -9.778 2.451 327 HB3 ALA 58 HB3 ALA 58 -6.178 -8.137 3.083 328 H LEU 59 H LEU 59 -4.405 -7.841 -0.203 329 HA LEU 59 HA LEU 59 -4.228 -5.022 0.500 330 HB2 LEU 59 HB2 LEU 59 -2.426 -7.197 0.188 331 HB3 LEU 59 HB3 LEU 59 -1.963 -5.958 -0.957 332 HG LEU 59 HG LEU 59 -1.470 -4.418 0.729 333 HD11 LEU 59 HD11 LEU 59 -3.184 -6.168 2.454 334 HD12 LEU 59 HD12 LEU 59 -3.434 -4.470 2.026 335 HD13 LEU 59 HD13 LEU 59 -2.128 -4.925 3.127 336 HD21 LEU 59 HD21 LEU 59 -0.816 -7.159 1.770 337 HD22 LEU 59 HD22 LEU 59 -0.053 -5.664 2.318 338 HD23 LEU 59 HD23 LEU 59 0.157 -6.204 0.649 339 H GLY 60 H GLY 60 -5.319 -6.817 -2.095 340 HA2 GLY 60 HA3 GLY 60 -5.969 -6.088 -4.212 341 HA3 GLY 60 HA2 GLY 60 -5.151 -4.557 -3.907 342 H THR 61 H THR 61 -5.070 -6.946 -5.997 343 HA THR 61 HA THR 61 -2.573 -8.078 -5.932 344 HB THR 61 HB THR 61 -2.862 -8.420 -8.380 345 HG1 THR 61 HG1 THR 61 -4.269 -6.331 -8.373 346 HG21 THR 61 HG21 THR 61 -3.810 -9.939 -6.634 347 HG22 THR 61 HG22 THR 61 -4.729 -9.933 -8.142 348 HG23 THR 61 HG23 THR 61 -5.326 -9.040 -6.745 349 HA PRO 62 HA PRO 62 0.444 -4.996 -6.359 350 HB2 PRO 62 HB2 PRO 62 1.732 -7.146 -7.927 351 HB3 PRO 62 HB3 PRO 62 2.369 -6.216 -6.578 352 HG2 PRO 62 HG2 PRO 62 1.530 -8.727 -6.246 353 HG3 PRO 62 HG3 PRO 62 1.252 -7.493 -5.005 354 HD2 PRO 62 HD2 PRO 62 -0.680 -8.718 -6.908 355 HD3 PRO 62 HD3 PRO 62 -0.943 -8.067 -5.291 356 H LEU 63 H LEU 63 1.822 -3.926 -7.885 357 HA LEU 63 HA LEU 63 0.503 -2.777 -10.005 358 HB2 LEU 63 HB2 LEU 63 3.484 -3.081 -9.932 359 HB3 LEU 63 HB3 LEU 63 2.542 -1.718 -10.507 360 HG LEU 63 HG LEU 63 2.557 -2.522 -7.605 361 HD11 LEU 63 HD11 LEU 63 4.859 -2.128 -8.303 362 HD12 LEU 63 HD12 LEU 63 4.283 -0.829 -7.255 363 HD13 LEU 63 HD13 LEU 63 4.397 -0.574 -8.999 364 HD21 LEU 63 HD21 LEU 63 0.754 -1.048 -8.330 365 HD22 LEU 63 HD22 LEU 63 1.929 0.065 -9.032 366 HD23 LEU 63 HD23 LEU 63 1.886 -0.187 -7.287 367 H MET 64 H MET 64 3.004 -5.273 -10.126 368 HA MET 64 HA MET 64 3.189 -5.671 -12.848 369 HB2 MET 64 HB2 MET 64 3.780 -8.107 -12.152 370 HB3 MET 64 HB3 MET 64 4.815 -6.779 -11.651 371 HG2 MET 64 HG2 MET 64 2.634 -7.756 -9.854 372 HG3 MET 64 HG3 MET 64 4.172 -8.613 -9.932 373 HE1 MET 64 HE1 MET 64 5.646 -8.154 -7.801 374 HE2 MET 64 HE2 MET 64 3.931 -8.227 -7.402 375 HE3 MET 64 HE3 MET 64 4.952 -6.986 -6.669 376 H SER 65 H SER 65 0.489 -6.362 -10.915 377 HA SER 65 HA SER 65 -1.578 -7.049 -11.471 378 HB2 SER 65 HB2 SER 65 -1.058 -6.062 -13.717 379 HB3 SER 65 HB3 SER 65 -0.560 -7.668 -14.242 380 HG SER 65 HG SER 65 -2.578 -8.282 -14.349 381 H ASP 66 H ASP 66 1.117 -9.039 -11.905 382 HA ASP 66 HA ASP 66 -0.575 -11.330 -11.230 383 HB2 ASP 66 HB2 ASP 66 0.976 -12.851 -12.327 384 HB3 ASP 66 HB3 ASP 66 0.372 -11.665 -13.469 385 HA PRO 67 HA PRO 67 1.908 -10.535 -7.519 386 HB2 PRO 67 HB2 PRO 67 0.196 -11.966 -5.911 387 HB3 PRO 67 HB3 PRO 67 -0.008 -10.255 -6.299 388 HG2 PRO 67 HG2 PRO 67 -1.343 -12.646 -7.507 389 HG3 PRO 67 HG3 PRO 67 -2.043 -11.071 -7.077 390 HD2 PRO 67 HD2 PRO 67 -1.401 -11.700 -9.623 391 HD3 PRO 67 HD3 PRO 67 -1.225 -10.050 -8.990 392 H PHE 68 H PHE 68 0.647 -13.536 -8.841 393 HA PHE 68 HA PHE 68 2.149 -15.198 -7.043 394 HB2 PHE 68 HB2 PHE 68 0.651 -16.001 -9.541 395 HB3 PHE 68 HB3 PHE 68 1.119 -17.034 -8.201 396 HD1 PHE 68 HD2 PHE 68 0.328 -15.351 -5.896 397 HD2 PHE 68 HD1 PHE 68 -1.661 -16.142 -9.572 398 HE1 PHE 68 HE2 PHE 68 -1.833 -14.899 -4.819 399 HE2 PHE 68 HE1 PHE 68 -3.827 -15.681 -8.504 400 HZ PHE 68 HZ PHE 68 -3.915 -15.060 -6.124 401 H GLY 69 H GLY 69 3.368 -13.323 -9.235 402 HA2 GLY 69 HA3 GLY 69 5.022 -15.348 -10.578 403 HA3 GLY 69 HA2 GLY 69 4.857 -13.674 -11.085 404 H THR 70 H THR 70 5.119 -12.848 -8.210 405 HA THR 70 HA THR 70 8.027 -13.236 -7.939 406 HB THR 70 HB THR 70 7.317 -10.933 -8.797 407 HG1 THR 70 HG1 THR 70 8.839 -9.907 -7.464 408 HG21 THR 70 HG21 THR 70 5.315 -10.717 -7.404 409 HG22 THR 70 HG22 THR 70 6.440 -9.377 -7.148 410 HG23 THR 70 HG23 THR 70 6.338 -10.681 -5.963 411 H ASN 71 H ASN 71 8.756 -12.625 -5.665 412 HA ASN 71 HA ASN 71 6.717 -13.449 -3.701 413 HB2 ASN 71 HB2 ASN 71 9.601 -14.265 -3.930 414 HB3 ASN 71 HB3 ASN 71 8.787 -14.289 -2.371 415 HD21 ASN 71 HD21 ASN 71 8.900 -16.479 -2.135 416 HD22 ASN 71 HD22 ASN 71 7.981 -17.583 -3.100 417 H THR 72 H THR 72 8.453 -10.910 -4.743 418 HA THR 72 HA THR 72 8.584 -9.727 -2.053 419 HB THR 72 HB THR 72 10.090 -8.730 -4.468 420 HG1 THR 72 HG1 THR 72 10.780 -10.709 -2.544 421 HG21 THR 72 HG21 THR 72 9.702 -7.180 -2.589 422 HG22 THR 72 HG22 THR 72 11.411 -7.555 -2.814 423 HG23 THR 72 HG23 THR 72 10.502 -8.319 -1.508 424 H TRP 73 H TRP 73 6.810 -8.526 -1.764 425 HA TRP 73 HA TRP 73 5.661 -7.136 -4.090 426 HB2 TRP 73 HB2 TRP 73 4.403 -8.031 -1.490 427 HB3 TRP 73 HB3 TRP 73 3.565 -7.067 -2.699 428 HD1 TRP 73 HD TRP 73 5.535 -9.334 -4.695 429 HE1 TRP 73 HE1 TRP 73 4.200 -11.421 -5.393 430 HE3 TRP 73 HE3 TRP 73 1.633 -8.940 -1.423 431 HZ2 TRP 73 HZ2 TRP 73 1.827 -12.722 -4.655 432 HZ3 TRP 73 HZ3 TRP 73 -0.128 -10.651 -1.494 433 HH2 TRP 73 HH TRP 73 -0.031 -12.499 -3.076 434 H PHE 74 H PHE 74 5.432 -4.949 -4.092 435 HA PHE 74 HA PHE 74 6.486 -3.514 -1.741 436 HB2 PHE 74 HB2 PHE 74 6.469 -2.431 -4.554 437 HB3 PHE 74 HB3 PHE 74 7.421 -1.880 -3.180 438 HD1 PHE 74 HD2 PHE 74 9.143 -3.608 -2.239 439 HD2 PHE 74 HD1 PHE 74 7.427 -3.799 -6.130 440 HE1 PHE 74 HE2 PHE 74 11.013 -5.021 -2.995 441 HE2 PHE 74 HE1 PHE 74 9.296 -5.207 -6.890 442 HZ PHE 74 HZ PHE 74 11.093 -5.817 -5.321 443 H TYR 75 H TYR 75 5.126 -2.205 -0.727 444 HA TYR 75 HA TYR 75 2.897 -0.981 -2.214 445 HB2 TYR 75 HB2 TYR 75 2.671 -2.170 0.548 446 HB3 TYR 75 HB3 TYR 75 1.385 -1.399 -0.352 447 HD1 TYR 75 HD1 TYR 75 0.817 -2.516 -2.669 448 HD2 TYR 75 HD2 TYR 75 2.857 -4.410 0.524 449 HE1 TYR 75 HE1 TYR 75 0.172 -4.707 -3.578 450 HE2 TYR 75 HE2 TYR 75 2.242 -6.616 -0.354 451 HH TYR 75 HH TYR 75 0.450 -7.568 -1.820 452 H VAL 76 H VAL 76 1.797 0.717 -0.611 453 HA VAL 76 HA VAL 76 4.013 2.261 0.553 454 HB VAL 76 HB VAL 76 2.024 4.085 -0.120 455 HG11 VAL 76 HG11 VAL 76 4.585 3.383 -1.555 456 HG12 VAL 76 HG12 VAL 76 4.411 4.517 -0.212 457 HG13 VAL 76 HG13 VAL 76 3.682 4.880 -1.778 458 HG21 VAL 76 HG21 VAL 76 2.463 2.192 -2.423 459 HG22 VAL 76 HG22 VAL 76 1.649 3.753 -2.514 460 HG23 VAL 76 HG23 VAL 76 0.946 2.446 -1.560 461 H PHE 77 H PHE 77 3.265 3.871 2.162 462 HA PHE 77 HA PHE 77 1.358 2.549 3.941 463 HB2 PHE 77 HB2 PHE 77 3.894 3.630 4.369 464 HB3 PHE 77 HB3 PHE 77 2.787 4.783 5.108 465 HD1 PHE 77 HD2 PHE 77 2.485 1.138 4.775 466 HD2 PHE 77 HD1 PHE 77 3.003 4.428 7.404 467 HE1 PHE 77 HE2 PHE 77 2.224 -0.371 6.695 468 HE2 PHE 77 HE1 PHE 77 2.740 2.932 9.346 469 HZ PHE 77 HZ PHE 77 2.353 0.521 8.993 470 H ARG 78 H ARG 78 0.484 4.365 5.593 471 HA ARG 78 HA ARG 78 -1.485 5.798 4.150 472 HB2 ARG 78 HB2 ARG 78 -1.814 5.036 6.478 473 HB3 ARG 78 HB1 ARG 78 -0.616 6.197 7.013 474 HG2 ARG 78 HG2 ARG 78 -2.084 7.977 5.978 475 HG3 ARG 78 HG1 ARG 78 -3.325 6.729 5.884 476 HD2 ARG 78 HD2 ARG 78 -2.020 7.911 8.318 477 HD3 ARG 78 HD1 ARG 78 -3.732 7.864 7.906 478 HE ARG 78 HE ARG 78 -2.206 5.440 8.624 479 HH11 ARG 78 HH11 ARG 78 -5.045 7.473 8.933 480 HH12 ARG 78 HH12 ARG 78 -5.849 6.400 10.039 481 HH21 ARG 78 HH21 ARG 78 -3.251 4.039 10.069 482 HH22 ARG 78 HH22 ARG 78 -4.841 4.427 10.660 483 H GLN 79 H GLN 79 -1.262 7.581 3.072 484 HA GLN 79 HA GLN 79 -0.686 9.622 2.360 485 HB2 GLN 79 HB2 GLN 79 -1.436 10.295 4.506 486 HB3 GLN 79 HB3 GLN 79 0.117 9.915 5.214 487 HG2 GLN 79 HG2 GLN 79 1.145 11.698 3.860 488 HG3 GLN 79 HG3 GLN 79 -0.446 12.090 3.212 489 HE21 GLN 79 HE21 GLN 79 0.196 11.165 6.537 490 HE22 GLN 79 HE22 GLN 79 -0.193 12.702 7.228 491 H GLN 80 H GLN 80 0.837 9.955 0.959 492 HA GLN 80 HA GLN 80 3.562 9.151 1.358 493 HB2 GLN 80 HB2 GLN 80 2.378 10.863 -0.812 494 HB3 GLN 80 HB3 GLN 80 3.909 10.057 -0.879 495 HG2 GLN 80 HG2 GLN 80 2.558 7.933 -0.560 496 HG3 GLN 80 HG3 GLN 80 1.173 8.904 -1.023 497 HE21 GLN 80 HE21 GLN 80 1.033 9.692 -3.120 498 HE22 GLN 80 HE22 GLN 80 2.024 9.090 -4.402 499 HA PRO 81 HA PRO 81 5.901 12.450 3.012 500 HB2 PRO 81 HB2 PRO 81 6.523 13.876 0.557 501 HB3 PRO 81 HB3 PRO 81 7.599 13.039 1.671 502 HG2 PRO 81 HG2 PRO 81 6.510 12.113 -0.846 503 HG3 PRO 81 HG3 PRO 81 7.761 11.373 0.165 504 HD2 PRO 81 HD2 PRO 81 5.280 10.314 -0.210 505 HD3 PRO 81 HD3 PRO 81 6.247 10.015 1.223 506 H GLY 82 H GLY 82 4.870 13.886 4.126 507 HA2 GLY 82 HA3 GLY 82 2.493 15.120 3.201 508 HA3 GLY 82 HA2 GLY 82 3.260 15.349 4.765 509 H HIS 83 H HIS 83 5.058 16.867 4.880 510 HA HIS 83 HA HIS 83 5.144 18.815 2.676 511 HB2 HIS 83 HB2 HIS 83 4.855 19.541 5.604 512 HB3 HIS 83 HB1 HIS 83 5.134 20.683 4.296 513 HD1 HIS 83 HD1 HIS 83 2.492 19.358 6.278 514 HD2 HIS 83 HD2 HIS 83 2.885 20.483 2.293 515 HE1 HIS 83 HE1 HIS 83 0.144 19.687 5.432 516 HE2 HIS 83 HE2 HIS 83 0.414 20.531 3.070 517 H GLU 84 H GLU 84 6.555 18.517 5.942 518 HA GLU 84 HA GLU 84 9.178 18.224 4.645 519 HB2 GLU 84 HB2 GLU 84 8.499 19.401 7.326 520 HB3 GLU 84 HB3 GLU 84 10.135 19.016 6.820 521 HG2 GLU 84 HG2 GLU 84 9.968 20.588 4.990 522 HG3 GLU 84 HG3 GLU 84 8.299 20.941 5.433 523 H GLY 85 H GLY 85 10.279 16.418 5.056 524 HA2 GLY 85 HA3 GLY 85 10.918 14.471 6.155 525 HA3 GLY 85 HA2 GLY 85 9.685 14.788 7.368 526 H VAL 86 H VAL 86 10.545 12.623 5.159 527 HA VAL 86 HA VAL 86 8.057 12.093 3.847 528 HB VAL 86 HB VAL 86 10.321 10.212 4.365 529 HG11 VAL 86 HG11 VAL 86 8.091 10.054 2.373 530 HG12 VAL 86 HG12 VAL 86 8.272 9.073 3.831 531 HG13 VAL 86 HG13 VAL 86 9.434 8.911 2.507 532 HG21 VAL 86 HG21 VAL 86 9.805 11.975 1.982 533 HG22 VAL 86 HG22 VAL 86 11.050 10.727 2.060 534 HG23 VAL 86 HG23 VAL 86 11.136 12.129 3.127 535 H THR 87 H THR 87 6.355 11.160 4.658 536 HA THR 87 HA THR 87 6.604 9.710 7.177 537 HB THR 87 HB THR 87 5.022 11.545 7.298 538 HG1 THR 87 HG1 THR 87 4.185 8.903 7.535 539 HG21 THR 87 HG21 THR 87 3.584 10.185 5.016 540 HG22 THR 87 HG22 THR 87 4.429 11.732 4.947 541 HG23 THR 87 HG23 THR 87 2.974 11.566 5.930 542 H GLN 88 H GLN 88 6.577 9.031 4.001 543 HA GLN 88 HA GLN 88 4.809 6.833 3.914 544 HB2 GLN 88 HB2 GLN 88 6.811 8.065 2.157 545 HB3 GLN 88 HB3 GLN 88 6.607 6.333 1.952 546 HG2 GLN 88 HG2 GLN 88 4.412 8.358 1.862 547 HG3 GLN 88 HG3 GLN 88 5.168 7.597 0.465 548 HE21 GLN 88 HE21 GLN 88 2.399 7.545 1.342 549 HE22 GLN 88 HE22 GLN 88 1.990 5.880 1.563 550 H GLN 89 H GLN 89 5.271 4.715 3.792 551 HA GLN 89 HA GLN 89 7.885 3.712 4.503 552 HB2 GLN 89 HB2 GLN 89 5.471 3.478 6.222 553 HB3 GLN 89 HB3 GLN 89 6.459 2.035 6.039 554 HG2 GLN 89 HG2 GLN 89 8.406 3.240 6.839 555 HG3 GLN 89 HG3 GLN 89 7.450 4.712 6.976 556 HE21 GLN 89 HE21 GLN 89 8.926 3.121 8.996 557 HE22 GLN 89 HE22 GLN 89 7.761 2.758 10.222 558 H THR 90 H THR 90 8.342 2.027 3.252 559 HA THR 90 HA THR 90 6.238 1.133 1.466 560 HB THR 90 HB THR 90 8.340 -0.103 0.457 561 HG1 THR 90 HG1 THR 90 10.105 0.411 1.488 562 HG21 THR 90 HG21 THR 90 7.720 2.793 0.229 563 HG22 THR 90 HG22 THR 90 7.122 1.491 -0.784 564 HG23 THR 90 HG23 THR 90 8.822 1.963 -0.854 565 H LEU 91 H LEU 91 5.286 -0.757 1.576 566 HA LEU 91 HA LEU 91 6.144 -2.642 3.620 567 HB2 LEU 91 HB2 LEU 91 3.722 -1.973 3.319 568 HB3 LEU 91 HB3 LEU 91 3.750 -2.841 1.797 569 HG LEU 91 HG LEU 91 4.426 -4.899 3.101 570 HD11 LEU 91 HD11 LEU 91 3.559 -4.719 5.528 571 HD12 LEU 91 HD12 LEU 91 3.858 -2.982 5.333 572 HD13 LEU 91 HD13 LEU 91 5.186 -4.133 5.157 573 HD21 LEU 91 HD21 LEU 91 2.152 -5.354 3.932 574 HD22 LEU 91 HD22 LEU 91 2.187 -4.714 2.281 575 HD23 LEU 91 HD23 LEU 91 1.733 -3.662 3.625 576 H THR 92 H THR 92 7.525 -4.150 3.102 577 HA THR 92 HA THR 92 7.635 -5.089 0.309 578 HB THR 92 HB THR 92 9.810 -5.394 2.371 579 HG1 THR 92 HG1 THR 92 9.629 -3.202 2.060 580 HG21 THR 92 HG21 THR 92 10.750 -5.256 -0.248 581 HG22 THR 92 HG22 THR 92 9.379 -6.361 -0.268 582 HG23 THR 92 HG23 THR 92 10.742 -6.652 0.818 583 H LEU 93 H LEU 93 6.231 -6.799 0.326 584 HA LEU 93 HA LEU 93 6.066 -8.391 2.727 585 HB2 LEU 93 HB2 LEU 93 4.138 -7.701 1.053 586 HB3 LEU 93 HB3 LEU 93 4.619 -9.197 0.259 587 HG LEU 93 HG LEU 93 4.314 -10.347 2.445 588 HD11 LEU 93 HD11 LEU 93 2.658 -8.793 3.865 589 HD12 LEU 93 HD12 LEU 93 3.747 -7.570 3.220 590 HD13 LEU 93 HD13 LEU 93 4.385 -8.913 4.172 591 HD21 LEU 93 HD21 LEU 93 1.790 -8.977 1.745 592 HD22 LEU 93 HD22 LEU 93 2.072 -10.666 2.151 593 HD23 LEU 93 HD23 LEU 93 2.563 -10.034 0.574 594 H THR 94 H THR 94 7.065 -10.237 3.113 595 HA THR 94 HA THR 94 8.703 -11.333 0.976 596 HB THR 94 HB THR 94 9.014 -11.255 3.970 597 HG1 THR 94 HG1 THR 94 9.609 -9.422 2.518 598 HG21 THR 94 HG21 THR 94 9.688 -13.411 3.152 599 HG22 THR 94 HG22 THR 94 11.094 -12.476 3.657 600 HG23 THR 94 HG23 THR 94 10.724 -12.664 1.940 601 H PHE 95 H PHE 95 8.175 -13.228 0.225 602 HA PHE 95 HA PHE 95 6.542 -15.068 1.843 603 HB2 PHE 95 HB2 PHE 95 6.623 -14.597 -1.134 604 HB3 PHE 95 HB3 PHE 95 5.875 -16.017 -0.422 605 HD1 PHE 95 HD2 PHE 95 3.938 -15.760 1.042 606 HD2 PHE 95 HD1 PHE 95 5.519 -12.506 -1.165 607 HE1 PHE 95 HE2 PHE 95 1.832 -14.552 1.356 608 HE2 PHE 95 HE1 PHE 95 3.408 -11.277 -0.862 609 HZ PHE 95 HZ PHE 95 1.566 -12.314 0.405 610 H ASN 96 H ASN 96 7.211 -17.129 2.079 611 HA ASN 96 HA ASN 96 9.893 -17.819 1.338 612 HB2 ASN 96 HB2 ASN 96 9.376 -20.021 2.375 613 HB3 ASN 96 HB3 ASN 96 9.035 -18.662 3.432 614 HD21 ASN 96 HD21 ASN 96 7.643 -19.870 4.669 615 HD22 ASN 96 HD22 ASN 96 6.057 -20.294 4.122 616 H SER 97 H SER 97 9.955 -20.354 0.527 617 HA SER 97 HA SER 97 9.655 -20.155 -2.217 618 HB2 SER 97 HB2 SER 97 11.157 -21.740 -1.024 619 HB3 SER 97 HB3 SER 97 9.750 -22.711 -0.599 620 HG SER 97 HG SER 97 11.181 -22.956 -2.732 621 H SER 98 H SER 98 7.381 -21.443 0.175 622 HA SER 98 HA SER 98 5.720 -22.668 -1.848 623 HB2 SER 98 HB2 SER 98 6.061 -23.637 0.438 624 HB3 SER 98 HB3 SER 98 5.166 -22.273 1.103 625 HG SER 98 HG SER 98 3.530 -23.574 0.809 626 H GLY 99 H GLY 99 6.180 -19.543 -1.070 627 HA2 GLY 99 HA3 GLY 99 4.954 -17.668 -1.644 628 HA3 GLY 99 HA2 GLY 99 3.659 -18.728 -2.184 629 H VAL 100 H VAL 100 5.056 -18.870 0.998 630 HA VAL 100 HA VAL 100 2.478 -18.016 2.139 631 HB VAL 100 HB VAL 100 4.644 -19.541 3.583 632 HG11 VAL 100 HG11 VAL 100 1.683 -19.229 4.065 633 HG12 VAL 100 HG12 VAL 100 2.989 -18.507 5.008 634 HG13 VAL 100 HG13 VAL 100 2.763 -20.258 5.009 635 HG21 VAL 100 HG21 VAL 100 2.406 -20.631 1.889 636 HG22 VAL 100 HG22 VAL 100 3.273 -21.586 3.093 637 HG23 VAL 100 HG23 VAL 100 4.142 -20.916 1.709 638 H LEU 101 H LEU 101 2.432 -16.341 3.622 639 HA LEU 101 HA LEU 101 4.483 -14.453 3.633 640 HB2 LEU 101 HB2 LEU 101 1.934 -14.849 5.022 641 HB3 LEU 101 HB3 LEU 101 3.100 -13.863 5.882 642 HG LEU 101 HG LEU 101 2.078 -13.372 3.108 643 HD11 LEU 101 HD11 LEU 101 1.686 -11.851 5.662 644 HD12 LEU 101 HD12 LEU 101 0.478 -12.879 4.894 645 HD13 LEU 101 HD13 LEU 101 1.034 -11.414 4.084 646 HD21 LEU 101 HD21 LEU 101 4.000 -11.769 4.756 647 HD22 LEU 101 HD22 LEU 101 3.363 -11.320 3.179 648 HD23 LEU 101 HD23 LEU 101 4.419 -12.729 3.340 649 H THR 102 H THR 102 6.298 -14.364 4.624 650 HA THR 102 HA THR 102 6.647 -15.876 7.125 651 HB THR 102 HB THR 102 8.943 -16.146 6.650 652 HG1 THR 102 HG1 THR 102 9.921 -14.474 5.782 653 HG21 THR 102 HG21 THR 102 7.304 -17.401 5.172 654 HG22 THR 102 HG22 THR 102 8.965 -17.291 4.583 655 HG23 THR 102 HG23 THR 102 7.717 -16.237 3.915 656 H ASN 103 H ASN 103 7.170 -12.814 5.480 657 HA ASN 103 HA ASN 103 7.140 -11.504 8.098 658 HB2 ASN 103 HB2 ASN 103 9.557 -11.890 7.508 659 HB3 ASN 103 HB3 ASN 103 9.303 -10.862 6.102 660 HD21 ASN 103 HD21 ASN 103 10.737 -9.294 6.732 661 HD22 ASN 103 HD22 ASN 103 10.449 -8.237 8.073 662 H ILE 104 H ILE 104 6.438 -9.442 8.098 663 HA ILE 104 HA ILE 104 5.521 -8.281 5.546 664 HB ILE 104 HB ILE 104 4.796 -7.152 8.236 665 HG12 ILE 104 HG12 ILE 104 4.202 -9.553 8.365 666 HG13 ILE 104 HG13 ILE 104 2.792 -8.505 8.407 667 HG21 ILE 104 HG21 ILE 104 3.393 -7.155 5.562 668 HG22 ILE 104 HG22 ILE 104 4.280 -5.827 6.302 669 HG23 ILE 104 HG23 ILE 104 2.783 -6.401 7.037 670 HD11 ILE 104 HD11 ILE 104 2.579 -9.002 5.916 671 HD12 ILE 104 HD12 ILE 104 2.184 -10.293 7.055 672 HD13 ILE 104 HD13 ILE 104 3.738 -10.305 6.209 673 H ASP 105 H ASP 105 7.447 -7.272 4.876 674 HA ASP 105 HA ASP 105 9.146 -6.053 6.869 675 HB2 ASP 105 HB2 ASP 105 10.021 -7.328 4.881 676 HB3 ASP 105 HB3 ASP 105 9.497 -5.987 3.873 677 H ASN 106 H ASN 106 8.215 -4.266 7.680 678 HA ASN 106 HA ASN 106 7.408 -2.176 5.801 679 HB2 ASN 106 HB2 ASN 106 5.587 -2.555 7.219 680 HB3 ASN 106 HB3 ASN 106 6.605 -2.772 8.634 681 HD21 ASN 106 HD21 ASN 106 5.189 -0.459 6.447 682 HD22 ASN 106 HD22 ASN 106 5.393 0.924 7.463 683 H LYS 107 H LYS 107 8.958 -0.862 5.375 684 HA LYS 107 HA LYS 107 10.591 0.259 7.541 685 HB2 LYS 107 HB2 LYS 107 12.594 0.060 6.187 686 HB3 LYS 107 HB1 LYS 107 11.847 -1.523 6.313 687 HG2 LYS 107 HG2 LYS 107 10.876 -1.278 4.112 688 HG3 LYS 107 HG1 LYS 107 11.575 0.336 4.001 689 HD2 LYS 107 HD2 LYS 107 13.277 -2.086 4.459 690 HD3 LYS 107 HD1 LYS 107 12.821 -1.566 2.836 691 HE2 LYS 107 HE2 LYS 107 14.222 0.167 4.863 692 HE3 LYS 107 HE1 LYS 107 15.037 -0.723 3.577 693 HZ1 LYS 107 HZ1 LYS 107 14.715 1.497 2.846 694 HZ2 LYS 107 HZ2 LYS 107 13.071 1.482 3.266 695 HZ3 LYS 107 HZ3 LYS 107 13.624 0.528 1.978 696 HA PRO 108 HA PRO 108 9.759 4.049 5.408 697 HB2 PRO 108 HB2 PRO 108 12.122 5.420 5.450 698 HB3 PRO 108 HB3 PRO 108 11.076 5.216 6.850 699 HG2 PRO 108 HG2 PRO 108 13.663 3.983 6.250 700 HG3 PRO 108 HG3 PRO 108 12.837 4.164 7.804 701 HD2 PRO 108 HD2 PRO 108 13.020 1.830 6.187 702 HD3 PRO 108 HD3 PRO 108 12.115 2.037 7.686 703 H ALA 109 H ALA 109 9.993 5.289 3.481 704 HA ALA 109 HA ALA 109 10.774 3.627 1.300 705 HB1 ALA 109 HB1 ALA 109 9.740 6.441 1.204 706 HB2 ALA 109 HB2 ALA 109 8.758 4.975 1.230 707 HB3 ALA 109 HB3 ALA 109 9.840 5.283 -0.133 708 H LEU 110 H LEU 110 11.799 4.743 -0.610 709 HA LEU 110 HA LEU 110 14.508 5.351 0.193 710 HB2 LEU 110 HB2 LEU 110 13.567 5.227 -2.642 711 HB3 LEU 110 HB3 LEU 110 15.091 4.690 -1.953 712 HG LEU 110 HG LEU 110 12.449 3.313 -1.436 713 HD11 LEU 110 HD11 LEU 110 14.648 2.407 -3.282 714 HD12 LEU 110 HD12 LEU 110 13.230 3.289 -3.854 715 HD13 LEU 110 HD13 LEU 110 13.040 1.708 -3.090 716 HD21 LEU 110 HD21 LEU 110 14.304 3.029 0.226 717 HD22 LEU 110 HD22 LEU 110 15.275 2.330 -1.074 718 HD23 LEU 110 HD23 LEU 110 13.788 1.536 -0.560 719 H SER 111 H SER 111 12.131 6.759 -2.042 720 HA SER 111 HA SER 111 13.075 9.407 -1.328 721 HB2 SER 111 HB2 SER 111 14.232 8.701 -3.437 722 HB3 SER 111 HB3 SER 111 12.653 8.534 -4.199 723 HG SER 111 HG SER 111 14.125 10.791 -3.659 724 H GLY 112 H GLY 112 11.417 10.739 -3.226 725 HA2 GLY 112 HA3 GLY 112 8.933 10.496 -3.678 726 HA3 GLY 112 HA2 GLY 112 8.829 10.163 -1.961 727 H ASN 113 H ASN 113 11.030 12.009 -1.563 728 HA ASN 113 HA ASN 113 9.959 14.611 -2.259 729 HB2 ASN 113 HB2 ASN 113 8.857 14.000 -0.092 730 HB3 ASN 113 HB3 ASN 113 10.455 13.898 0.641 731 HD21 ASN 113 HD21 ASN 113 9.403 16.228 -1.775 732 HD22 ASN 113 HD22 ASN 113 9.559 17.627 -0.761
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