NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
622825 | 5ujq | 30235 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H SER 1 1.807 0.001 0.856 2 HA SER 1 HA SER 1 1.737 0.820 -1.850 3 HB2 SER 1 HB2 SER 1 3.941 -0.599 -0.333 4 HB3 SER 1 HB3 SER 1 4.129 0.225 -1.881 5 HG SER 1 HG SER 1 4.714 1.480 0.020 6 H ALA 2 H ALA 2 0.081 -0.705 -2.605 7 HA ALA 2 HA ALA 2 0.428 -3.473 -2.741 8 HB1 ALA 2 HB1 ALA 2 -1.483 -1.666 -3.589 9 HB2 ALA 2 HB2 ALA 2 -0.899 -2.394 -5.086 10 HB3 ALA 2 HB3 ALA 2 -1.533 -3.417 -3.797 11 H ILE 3 H ILE 3 1.477 -0.916 -4.953 12 HA ILE 3 HA ILE 3 2.383 -2.424 -7.078 13 HB ILE 3 HB ILE 3 3.686 0.055 -5.945 14 HG12 ILE 3 HG12 ILE 3 1.697 -0.146 -8.208 15 HG13 ILE 3 HG13 ILE 3 1.221 0.180 -6.545 16 HG21 ILE 3 HG21 ILE 3 4.575 0.375 -8.201 17 HG22 ILE 3 HG22 ILE 3 5.152 -1.131 -7.488 18 HG23 ILE 3 HG23 ILE 3 3.869 -1.163 -8.698 19 HD11 ILE 3 HD11 ILE 3 2.391 2.242 -6.531 20 HD12 ILE 3 HD12 ILE 3 3.170 1.880 -8.072 21 HD13 ILE 3 HD13 ILE 3 1.435 2.188 -8.012 22 H LEU 4 H LEU 4 3.858 -1.925 -3.943 23 HA LEU 4 HA LEU 4 6.460 -2.716 -4.405 24 HB2 LEU 4 HB2 LEU 4 5.268 -1.941 -2.239 25 HB3 LEU 4 HB3 LEU 4 4.976 -3.660 -1.982 26 HG LEU 4 HG LEU 4 7.412 -4.050 -2.014 27 HD11 LEU 4 HD11 LEU 4 8.401 -2.401 -3.272 28 HD12 LEU 4 HD12 LEU 4 8.756 -1.845 -1.637 29 HD13 LEU 4 HD13 LEU 4 7.434 -1.115 -2.549 30 HD21 LEU 4 HD21 LEU 4 7.750 -3.418 0.185 31 HD22 LEU 4 HD22 LEU 4 5.990 -3.407 0.058 32 HD23 LEU 4 HD23 LEU 4 6.890 -1.891 -0.012 33 H ALA 5 H ALA 5 3.595 -4.726 -3.911 34 HA ALA 5 HA ALA 5 5.064 -7.192 -4.000 35 HB1 ALA 5 HB1 ALA 5 3.002 -7.054 -2.732 36 HB2 ALA 5 HB2 ALA 5 2.102 -6.664 -4.198 37 HB3 ALA 5 HB3 ALA 5 2.848 -8.252 -4.018 38 H ILE 6 H ILE 6 3.579 -5.087 -6.309 39 HA ILE 6 HA ILE 6 3.363 -7.040 -8.403 40 HB ILE 6 HB ILE 6 3.293 -4.024 -8.564 41 HG12 ILE 6 HG12 ILE 6 0.941 -5.900 -8.710 42 HG13 ILE 6 HG13 ILE 6 1.520 -5.270 -7.171 43 HG21 ILE 6 HG21 ILE 6 1.990 -4.635 -10.715 44 HG22 ILE 6 HG22 ILE 6 3.752 -4.698 -10.733 45 HG23 ILE 6 HG23 ILE 6 2.818 -6.186 -10.577 46 HD11 ILE 6 HD11 ILE 6 -0.034 -3.973 -9.269 47 HD12 ILE 6 HD12 ILE 6 0.082 -3.611 -7.547 48 HD13 ILE 6 HD13 ILE 6 1.305 -3.001 -8.660 49 H THR 7 H THR 7 5.352 -4.086 -8.152 50 HA THR 7 HA THR 7 7.072 -4.616 -10.249 51 HB THR 7 HB THR 7 6.956 -2.459 -8.999 52 HG1 THR 7 HG1 THR 7 8.710 -2.843 -10.399 53 HG21 THR 7 HG21 THR 7 8.361 -2.206 -6.990 54 HG22 THR 7 HG22 THR 7 8.652 -3.945 -6.988 55 HG23 THR 7 HG23 THR 7 7.023 -3.322 -6.723 56 H LEU 8 H LEU 8 7.092 -5.887 -6.996 57 HA LEU 8 HA LEU 8 9.733 -7.011 -7.195 58 HB2 LEU 8 HB2 LEU 8 8.577 -6.296 -5.063 59 HB3 LEU 8 HB3 LEU 8 7.584 -7.743 -5.220 60 HG LEU 8 HG LEU 8 10.575 -7.936 -5.127 61 HD11 LEU 8 HD11 LEU 8 9.118 -6.758 -3.101 62 HD12 LEU 8 HD12 LEU 8 10.705 -7.510 -2.947 63 HD13 LEU 8 HD13 LEU 8 9.250 -8.443 -2.597 64 HD21 LEU 8 HD21 LEU 8 8.243 -9.755 -4.839 65 HD22 LEU 8 HD22 LEU 8 9.692 -10.103 -3.896 66 HD23 LEU 8 HD23 LEU 8 9.785 -10.010 -5.655 67 H GLY 9 H GLY 9 6.441 -8.384 -7.076 68 HA2 GLY 9 HA2 GLY 9 7.115 -11.050 -7.482 69 HA3 GLY 9 HA3 GLY 9 5.587 -10.324 -7.958 70 H ILE 10 H ILE 10 6.645 -8.482 -9.859 71 HA ILE 10 HA ILE 10 6.877 -10.257 -12.104 72 HB ILE 10 HB ILE 10 7.054 -7.243 -12.002 73 HG12 ILE 10 HG12 ILE 10 4.891 -8.066 -11.219 74 HG13 ILE 10 HG13 ILE 10 4.721 -7.315 -12.802 75 HG21 ILE 10 HG21 ILE 10 6.166 -7.982 -14.504 76 HG22 ILE 10 HG22 ILE 10 7.794 -7.443 -14.096 77 HG23 ILE 10 HG23 ILE 10 7.423 -9.166 -14.149 78 HD11 ILE 10 HD11 ILE 10 4.884 -9.656 -13.760 79 HD12 ILE 10 HD12 ILE 10 4.659 -10.228 -12.106 80 HD13 ILE 10 HD13 ILE 10 3.411 -9.250 -12.878 81 H PHE 11 H PHE 11 9.056 -8.449 -10.118 82 HA PHE 11 HA PHE 11 11.234 -8.535 -12.016 83 HB2 PHE 11 HB2 PHE 11 11.051 -6.654 -10.455 84 HB3 PHE 11 HB3 PHE 11 11.194 -7.759 -9.091 85 HD1 PHE 11 HD1 PHE 11 13.055 -7.040 -12.250 86 HD2 PHE 11 HD2 PHE 11 13.235 -7.789 -8.064 87 HE1 PHE 11 HE1 PHE 11 15.502 -6.793 -12.314 88 HE2 PHE 11 HE2 PHE 11 15.682 -7.541 -8.121 89 HZ PHE 11 HZ PHE 11 16.819 -7.042 -10.248 90 H ALA 12 H ALA 12 10.011 -10.467 -9.417 91 HA ALA 12 HA ALA 12 12.369 -11.910 -8.808 92 HB1 ALA 12 HB1 ALA 12 11.053 -12.656 -7.188 93 HB2 ALA 12 HB2 ALA 12 9.658 -11.904 -7.962 94 HB3 ALA 12 HB3 ALA 12 10.105 -13.560 -8.370 95 H THR 13 H THR 13 9.538 -12.831 -10.777 96 HA THR 13 HA THR 13 10.529 -15.253 -11.723 97 HB THR 13 HB THR 13 8.827 -13.519 -13.482 98 HG1 THR 13 HG1 THR 13 7.089 -13.839 -12.168 99 HG21 THR 13 HG21 THR 13 7.674 -15.691 -13.855 100 HG22 THR 13 HG22 THR 13 8.865 -16.462 -12.807 101 HG23 THR 13 HG23 THR 13 9.374 -15.714 -14.320 102 H GLY 14 H GLY 14 11.314 -12.006 -12.643 103 HA2 GLY 14 HA2 GLY 14 12.237 -12.296 -15.233 104 HA3 GLY 14 HA3 GLY 14 12.928 -11.186 -14.058 105 H TYR 15 H TYR 15 13.736 -13.354 -12.251 106 HA TYR 15 HA TYR 15 16.217 -14.030 -13.611 107 HB2 TYR 15 HB2 TYR 15 15.343 -14.301 -10.731 108 HB3 TYR 15 HB3 TYR 15 16.915 -14.819 -11.329 109 HD1 TYR 15 HD1 TYR 15 15.087 -12.141 -9.925 110 HD2 TYR 15 HD2 TYR 15 18.318 -12.990 -12.560 111 HE1 TYR 15 HE1 TYR 15 15.959 -9.868 -9.578 112 HE2 TYR 15 HE2 TYR 15 19.200 -10.720 -12.219 113 HH TYR 15 HH TYR 15 18.961 -8.933 -10.220 114 H GLY 16 H GLY 16 14.257 -15.908 -11.305 115 HA2 GLY 16 HA2 GLY 16 13.140 -17.920 -12.466 116 HA3 GLY 16 HA3 GLY 16 14.788 -18.291 -12.949 117 H MET 17 H MET 17 14.326 -20.333 -11.817 118 HA MET 17 HA MET 17 14.114 -20.250 -8.940 119 HB2 MET 17 HB2 MET 17 13.064 -22.034 -10.349 120 HB3 MET 17 HB3 MET 17 14.678 -22.626 -10.720 121 HG2 MET 17 HG2 MET 17 13.908 -24.004 -9.003 122 HG3 MET 17 HG3 MET 17 15.002 -22.867 -8.216 123 HE1 MET 17 HE1 MET 17 11.907 -24.481 -6.570 124 HE2 MET 17 HE2 MET 17 10.729 -23.769 -7.672 125 HE3 MET 17 HE3 MET 17 12.104 -24.670 -8.313 126 H GLY 18 H GLY 18 16.529 -21.654 -11.171 127 HA2 GLY 18 HA2 GLY 18 18.505 -21.704 -9.050 128 HA3 GLY 18 HA3 GLY 18 18.721 -22.284 -10.695 129 H VAL 19 H VAL 19 17.602 -19.576 -11.596 130 HA VAL 19 HA VAL 19 20.049 -18.348 -12.172 131 HB VAL 19 HB VAL 19 17.333 -17.026 -12.124 132 HG11 VAL 19 HG11 VAL 19 19.956 -16.309 -13.398 133 HG12 VAL 19 HG12 VAL 19 18.422 -15.669 -13.990 134 HG13 VAL 19 HG13 VAL 19 18.942 -15.331 -12.338 135 HG21 VAL 19 HG21 VAL 19 16.776 -18.434 -13.753 136 HG22 VAL 19 HG22 VAL 19 18.022 -17.679 -14.747 137 HG23 VAL 19 HG23 VAL 19 18.401 -19.118 -13.799 138 H GLN 20 H GLN 20 17.486 -17.088 -10.028 139 HA GLN 20 HA GLN 20 19.162 -15.128 -8.855 140 HB2 GLN 20 HB2 GLN 20 17.328 -14.848 -7.223 141 HB3 GLN 20 HB3 GLN 20 16.755 -14.841 -8.886 142 HG2 GLN 20 HG2 GLN 20 15.194 -16.188 -7.925 143 HG3 GLN 20 HG3 GLN 20 16.375 -17.395 -8.431 144 HE21 GLN 20 HE21 GLN 20 15.974 -18.911 -6.907 145 HE22 GLN 20 HE22 GLN 20 16.234 -18.676 -5.216 146 H LYS 21 H LYS 21 18.556 -18.468 -8.168 147 HA LYS 21 HA LYS 21 19.483 -18.452 -5.471 148 HB2 LYS 21 HB2 LYS 21 18.032 -20.231 -6.259 149 HB3 LYS 21 HB3 LYS 21 19.216 -20.702 -7.472 150 HG2 LYS 21 HG2 LYS 21 20.631 -21.655 -5.912 151 HG3 LYS 21 HG3 LYS 21 19.942 -20.733 -4.574 152 HD2 LYS 21 HD2 LYS 21 19.252 -23.051 -4.423 153 HD3 LYS 21 HD3 LYS 21 17.857 -22.031 -4.786 154 HE2 LYS 21 HE2 LYS 21 17.978 -22.650 -7.125 155 HE3 LYS 21 HE3 LYS 21 19.437 -23.593 -6.827 156 HZ1 LYS 21 HZ1 LYS 21 18.212 -25.324 -6.239 157 HZ2 LYS 21 HZ2 LYS 21 16.823 -24.473 -6.694 158 HZ3 LYS 21 HZ3 LYS 21 17.361 -24.419 -5.091 159 H ALA 22 H ALA 22 21.014 -18.597 -8.574 160 HA ALA 22 HA ALA 22 23.415 -19.842 -8.033 161 HB1 ALA 22 HB1 ALA 22 22.608 -18.952 -10.248 162 HB2 ALA 22 HB2 ALA 22 23.182 -17.367 -9.728 163 HB3 ALA 22 HB3 ALA 22 24.319 -18.703 -9.903 164 H ILE 23 H ILE 23 22.468 -16.498 -7.368 165 HA ILE 23 HA ILE 23 25.037 -15.739 -6.359 166 HB ILE 23 HB ILE 23 22.388 -14.367 -5.897 167 HG12 ILE 23 HG12 ILE 23 24.417 -13.928 -8.099 168 HG13 ILE 23 HG13 ILE 23 22.844 -14.693 -8.302 169 HG21 ILE 23 HG21 ILE 23 23.786 -12.364 -5.588 170 HG22 ILE 23 HG22 ILE 23 24.126 -13.613 -4.391 171 HG23 ILE 23 HG23 ILE 23 25.228 -13.367 -5.746 172 HD11 ILE 23 HD11 ILE 23 22.261 -12.269 -7.109 173 HD12 ILE 23 HD12 ILE 23 23.549 -11.895 -8.255 174 HD13 ILE 23 HD13 ILE 23 22.073 -12.682 -8.813 175 H ASN 24 H ASN 24 22.218 -17.240 -5.035 176 HA ASN 24 HA ASN 24 22.858 -16.634 -2.290 177 HB2 ASN 24 HB2 ASN 24 20.903 -18.657 -3.406 178 HB3 ASN 24 HB3 ASN 24 20.975 -18.088 -1.741 179 HD21 ASN 24 HD21 ASN 24 21.343 -15.394 -2.117 180 HD22 ASN 24 HD22 ASN 24 19.939 -14.722 -2.866 181 H ASP 25 H ASP 25 23.499 -19.186 -4.568 182 HA ASP 25 HA ASP 25 24.124 -21.311 -2.921 183 HB2 ASP 25 HB2 ASP 25 24.159 -21.099 -5.519 184 HB3 ASP 25 HB3 ASP 25 25.852 -20.673 -5.291 185 H ARG 26 H ARG 26 25.987 -18.424 -3.612 186 HA ARG 26 HA ARG 26 28.218 -19.428 -2.000 187 HB2 ARG 26 HB2 ARG 26 28.075 -16.848 -3.562 188 HB3 ARG 26 HB3 ARG 26 29.511 -17.609 -2.891 189 HG2 ARG 26 HG2 ARG 26 28.804 -19.593 -4.455 190 HG3 ARG 26 HG3 ARG 26 27.946 -18.316 -5.318 191 HD2 ARG 26 HD2 ARG 26 29.993 -17.070 -5.597 192 HD3 ARG 26 HD3 ARG 26 30.875 -18.235 -4.610 193 HE ARG 26 HE ARG 26 29.871 -19.748 -6.620 194 HH11 ARG 26 HH11 ARG 26 31.746 -16.815 -6.523 195 HH12 ARG 26 HH12 ARG 26 32.556 -17.130 -8.022 196 HH21 ARG 26 HH21 ARG 26 30.932 -20.173 -8.594 197 HH22 ARG 26 HH22 ARG 26 32.092 -19.039 -9.199 198 H ARG 27 H ARG 27 26.091 -16.586 -2.249 199 HA ARG 27 HA ARG 27 26.512 -16.140 0.631 200 HB2 ARG 27 HB2 ARG 27 26.461 -14.128 -1.608 201 HB3 ARG 27 HB3 ARG 27 26.127 -13.666 0.056 202 HG2 ARG 27 HG2 ARG 27 28.622 -15.169 -0.588 203 HG3 ARG 27 HG3 ARG 27 28.528 -13.436 -0.907 204 HD2 ARG 27 HD2 ARG 27 27.745 -14.550 1.761 205 HD3 ARG 27 HD3 ARG 27 29.438 -14.249 1.374 206 HE ARG 27 HE ARG 27 27.412 -12.289 1.932 207 HH11 ARG 27 HH11 ARG 27 30.459 -12.890 0.358 208 HH12 ARG 27 HH12 ARG 27 30.958 -11.231 0.404 209 HH21 ARG 27 HH21 ARG 27 28.058 -10.102 1.998 210 HH22 ARG 27 HH22 ARG 27 29.592 -9.647 1.337 211 H LYS 28 H LYS 28 24.539 -17.576 0.577 212 HA LYS 28 HA LYS 28 22.078 -16.746 -0.452 213 HB2 LYS 28 HB2 LYS 28 21.082 -18.253 1.255 214 HB3 LYS 28 HB3 LYS 28 22.386 -19.003 0.344 215 HG2 LYS 28 HG2 LYS 28 23.850 -18.184 2.354 216 HG3 LYS 28 HG3 LYS 28 22.300 -18.169 3.199 217 HD2 LYS 28 HD2 LYS 28 21.992 -20.546 2.327 218 HD3 LYS 28 HD3 LYS 28 23.706 -20.493 1.908 219 HE2 LYS 28 HE2 LYS 28 23.540 -21.507 4.052 220 HE3 LYS 28 HE3 LYS 28 24.168 -19.878 4.298 221 HZ1 LYS 28 HZ1 LYS 28 22.153 -20.886 5.692 222 HZ2 LYS 28 HZ2 LYS 28 21.279 -20.174 4.432 223 HZ3 LYS 28 HZ3 LYS 28 22.317 -19.231 5.379 224 H LYS 29 H LYS 29 20.804 -15.096 0.041 225 HA LYS 29 HA LYS 29 21.356 -13.493 2.392 226 HB2 LYS 29 HB2 LYS 29 20.887 -12.515 0.117 227 HB3 LYS 29 HB3 LYS 29 19.224 -13.057 0.297 228 HG2 LYS 29 HG2 LYS 29 19.163 -10.823 0.932 229 HG3 LYS 29 HG3 LYS 29 19.211 -11.697 2.465 230 HD2 LYS 29 HD2 LYS 29 20.820 -10.123 2.865 231 HD3 LYS 29 HD3 LYS 29 21.818 -11.391 2.150 232 HE2 LYS 29 HE2 LYS 29 21.400 -10.232 -0.080 233 HE3 LYS 29 HE3 LYS 29 20.781 -8.878 0.865 234 HZ1 LYS 29 HZ1 LYS 29 22.971 -8.308 0.625 235 HZ2 LYS 29 HZ2 LYS 29 23.525 -9.905 0.670 236 HZ3 LYS 29 HZ3 LYS 29 23.040 -9.138 2.098 Start of MODEL 2 1 H1 SER 1 H SER 1 4.584 1.669 -0.130 2 HA SER 1 HA SER 1 2.659 2.239 -2.210 3 HB2 SER 1 HB2 SER 1 5.621 2.101 -2.805 4 HB3 SER 1 HB3 SER 1 4.367 1.944 -4.035 5 HG SER 1 HG SER 1 3.611 4.056 -3.152 6 H ALA 2 H ALA 2 1.690 0.401 -2.744 7 HA ALA 2 HA ALA 2 2.713 -2.112 -1.785 8 HB1 ALA 2 HB1 ALA 2 0.506 -2.386 -1.618 9 HB2 ALA 2 HB2 ALA 2 0.173 -1.087 -2.764 10 HB3 ALA 2 HB3 ALA 2 0.529 -2.711 -3.352 11 H ILE 3 H ILE 3 2.498 -0.444 -4.849 12 HA ILE 3 HA ILE 3 2.829 -2.500 -6.658 13 HB ILE 3 HB ILE 3 4.121 0.227 -6.789 14 HG12 ILE 3 HG12 ILE 3 1.481 -0.719 -7.923 15 HG13 ILE 3 HG13 ILE 3 1.650 0.249 -6.463 16 HG21 ILE 3 HG21 ILE 3 4.154 -0.121 -9.205 17 HG22 ILE 3 HG22 ILE 3 5.097 -1.356 -8.372 18 HG23 ILE 3 HG23 ILE 3 3.490 -1.739 -8.986 19 HD11 ILE 3 HD11 ILE 3 1.786 2.121 -7.635 20 HD12 ILE 3 HD12 ILE 3 3.035 1.454 -8.686 21 HD13 ILE 3 HD13 ILE 3 1.333 1.174 -9.052 22 H LEU 4 H LEU 4 5.181 -1.062 -4.505 23 HA LEU 4 HA LEU 4 7.563 -1.890 -5.623 24 HB2 LEU 4 HB2 LEU 4 6.980 -0.583 -3.412 25 HB3 LEU 4 HB3 LEU 4 7.184 -2.174 -2.682 26 HG LEU 4 HG LEU 4 9.478 -2.115 -3.965 27 HD11 LEU 4 HD11 LEU 4 8.632 0.219 -4.891 28 HD12 LEU 4 HD12 LEU 4 10.334 -0.092 -4.551 29 HD13 LEU 4 HD13 LEU 4 9.349 0.790 -3.384 30 HD21 LEU 4 HD21 LEU 4 8.870 -2.046 -1.434 31 HD22 LEU 4 HD22 LEU 4 9.314 -0.344 -1.565 32 HD23 LEU 4 HD23 LEU 4 10.492 -1.596 -1.960 33 H ALA 5 H ALA 5 5.292 -3.736 -3.646 34 HA ALA 5 HA ALA 5 6.948 -6.082 -3.579 35 HB1 ALA 5 HB1 ALA 5 5.194 -5.379 -1.856 36 HB2 ALA 5 HB2 ALA 5 4.008 -6.035 -2.985 37 HB3 ALA 5 HB3 ALA 5 5.257 -7.082 -2.311 38 H ILE 6 H ILE 6 4.542 -4.784 -5.697 39 HA ILE 6 HA ILE 6 3.898 -7.273 -6.980 40 HB ILE 6 HB ILE 6 3.393 -4.440 -7.900 41 HG12 ILE 6 HG12 ILE 6 1.379 -6.339 -6.715 42 HG13 ILE 6 HG13 ILE 6 2.350 -5.283 -5.695 43 HG21 ILE 6 HG21 ILE 6 1.488 -5.880 -9.107 44 HG22 ILE 6 HG22 ILE 6 3.051 -5.539 -9.849 45 HG23 ILE 6 HG23 ILE 6 2.771 -7.088 -9.055 46 HD11 ILE 6 HD11 ILE 6 1.377 -3.542 -7.554 47 HD12 ILE 6 HD12 ILE 6 0.040 -4.677 -7.362 48 HD13 ILE 6 HD13 ILE 6 0.686 -3.830 -5.957 49 H THR 7 H THR 7 5.462 -4.321 -8.237 50 HA THR 7 HA THR 7 6.447 -5.376 -10.588 51 HB THR 7 HB THR 7 6.503 -2.959 -9.963 52 HG1 THR 7 HG1 THR 7 7.704 -3.586 -11.752 53 HG21 THR 7 HG21 THR 7 8.459 -2.130 -8.714 54 HG22 THR 7 HG22 THR 7 8.936 -3.795 -8.378 55 HG23 THR 7 HG23 THR 7 7.429 -3.159 -7.720 56 H LEU 8 H LEU 8 7.697 -5.694 -7.342 57 HA LEU 8 HA LEU 8 10.251 -6.725 -8.124 58 HB2 LEU 8 HB2 LEU 8 9.716 -5.589 -5.942 59 HB3 LEU 8 HB3 LEU 8 8.874 -7.064 -5.469 60 HG LEU 8 HG LEU 8 11.520 -7.735 -6.314 61 HD11 LEU 8 HD11 LEU 8 11.338 -5.523 -4.278 62 HD12 LEU 8 HD12 LEU 8 12.198 -5.492 -5.817 63 HD13 LEU 8 HD13 LEU 8 12.755 -6.545 -4.517 64 HD21 LEU 8 HD21 LEU 8 9.901 -7.902 -3.802 65 HD22 LEU 8 HD22 LEU 8 11.600 -8.377 -3.812 66 HD23 LEU 8 HD23 LEU 8 10.447 -9.197 -4.867 67 H GLY 9 H GLY 9 7.320 -8.207 -6.733 68 HA2 GLY 9 HA2 GLY 9 8.212 -10.858 -6.785 69 HA3 GLY 9 HA3 GLY 9 6.528 -10.358 -6.825 70 H ILE 10 H ILE 10 6.513 -8.983 -9.265 71 HA ILE 10 HA ILE 10 6.191 -11.147 -11.069 72 HB ILE 10 HB ILE 10 6.253 -8.183 -11.651 73 HG12 ILE 10 HG12 ILE 10 4.519 -8.828 -10.023 74 HG13 ILE 10 HG13 ILE 10 3.812 -8.319 -11.552 75 HG21 ILE 10 HG21 ILE 10 5.186 -10.473 -13.297 76 HG22 ILE 10 HG22 ILE 10 5.038 -8.761 -13.693 77 HG23 ILE 10 HG23 ILE 10 6.628 -9.522 -13.652 78 HD11 ILE 10 HD11 ILE 10 3.477 -10.651 -12.173 79 HD12 ILE 10 HD12 ILE 10 4.189 -11.162 -10.643 80 HD13 ILE 10 HD13 ILE 10 2.673 -10.262 -10.653 81 H PHE 11 H PHE 11 8.776 -8.890 -10.449 82 HA PHE 11 HA PHE 11 10.211 -9.549 -12.867 83 HB2 PHE 11 HB2 PHE 11 10.282 -7.299 -11.656 84 HB3 PHE 11 HB3 PHE 11 11.320 -8.089 -10.474 85 HD1 PHE 11 HD1 PHE 11 13.583 -8.696 -11.012 86 HD2 PHE 11 HD2 PHE 11 11.054 -6.896 -13.924 87 HE1 PHE 11 HE1 PHE 11 15.542 -8.252 -12.433 88 HE2 PHE 11 HE2 PHE 11 13.009 -6.450 -15.350 89 HZ PHE 11 HZ PHE 11 15.256 -7.129 -14.606 90 H ALA 12 H ALA 12 10.075 -10.642 -9.585 91 HA ALA 12 HA ALA 12 12.590 -11.826 -9.312 92 HB1 ALA 12 HB1 ALA 12 10.164 -11.767 -7.858 93 HB2 ALA 12 HB2 ALA 12 10.650 -13.456 -8.017 94 HB3 ALA 12 HB3 ALA 12 11.759 -12.282 -7.308 95 H THR 13 H THR 13 9.531 -13.313 -10.384 96 HA THR 13 HA THR 13 10.521 -15.850 -10.949 97 HB THR 13 HB THR 13 8.383 -14.602 -12.653 98 HG1 THR 13 HG1 THR 13 6.970 -15.284 -10.825 99 HG21 THR 13 HG21 THR 13 9.063 -17.340 -11.651 100 HG22 THR 13 HG22 THR 13 8.680 -16.810 -13.289 101 HG23 THR 13 HG23 THR 13 7.399 -16.949 -12.086 102 H GLY 14 H GLY 14 10.865 -12.881 -12.701 103 HA2 GLY 14 HA2 GLY 14 11.321 -13.736 -15.291 104 HA3 GLY 14 HA3 GLY 14 12.121 -12.357 -14.552 105 H TYR 15 H TYR 15 13.365 -14.101 -12.492 106 HA TYR 15 HA TYR 15 15.746 -14.711 -13.958 107 HB2 TYR 15 HB2 TYR 15 14.947 -15.033 -11.070 108 HB3 TYR 15 HB3 TYR 15 16.498 -15.602 -11.676 109 HD1 TYR 15 HD1 TYR 15 15.110 -13.053 -9.915 110 HD2 TYR 15 HD2 TYR 15 17.586 -13.632 -13.326 111 HE1 TYR 15 HE1 TYR 15 16.048 -10.800 -9.609 112 HE2 TYR 15 HE2 TYR 15 18.532 -11.382 -13.029 113 HH TYR 15 HH TYR 15 17.950 -9.502 -10.195 114 H GLY 16 H GLY 16 14.053 -16.833 -11.655 115 HA2 GLY 16 HA2 GLY 16 13.062 -18.893 -12.851 116 HA3 GLY 16 HA3 GLY 16 14.715 -19.101 -13.410 117 H MET 17 H MET 17 14.581 -21.197 -12.358 118 HA MET 17 HA MET 17 14.417 -21.263 -9.474 119 HB2 MET 17 HB2 MET 17 15.170 -23.456 -11.415 120 HB3 MET 17 HB3 MET 17 14.778 -23.668 -9.714 121 HG2 MET 17 HG2 MET 17 12.525 -22.560 -10.362 122 HG3 MET 17 HG3 MET 17 12.980 -23.017 -12.002 123 HE1 MET 17 HE1 MET 17 11.046 -25.147 -8.788 124 HE2 MET 17 HE2 MET 17 12.726 -25.441 -8.341 125 HE3 MET 17 HE3 MET 17 12.155 -23.790 -8.589 126 H GLY 18 H GLY 18 16.927 -22.269 -11.813 127 HA2 GLY 18 HA2 GLY 18 18.946 -22.174 -9.735 128 HA3 GLY 18 HA3 GLY 18 19.190 -22.651 -11.409 129 H VAL 19 H VAL 19 17.734 -20.061 -12.161 130 HA VAL 19 HA VAL 19 20.006 -18.522 -12.718 131 HB VAL 19 HB VAL 19 17.136 -17.587 -12.598 132 HG11 VAL 19 HG11 VAL 19 19.604 -16.409 -13.853 133 HG12 VAL 19 HG12 VAL 19 17.967 -15.925 -14.303 134 HG13 VAL 19 HG13 VAL 19 18.539 -15.678 -12.652 135 HG21 VAL 19 HG21 VAL 19 16.810 -18.967 -14.315 136 HG22 VAL 19 HG22 VAL 19 17.897 -17.938 -15.249 137 HG23 VAL 19 HG23 VAL 19 18.527 -19.357 -14.413 138 H GLN 20 H GLN 20 17.345 -17.674 -10.494 139 HA GLN 20 HA GLN 20 18.747 -15.555 -9.268 140 HB2 GLN 20 HB2 GLN 20 16.967 -15.664 -7.544 141 HB3 GLN 20 HB3 GLN 20 16.334 -15.636 -9.184 142 HG2 GLN 20 HG2 GLN 20 15.037 -17.281 -8.337 143 HG3 GLN 20 HG3 GLN 20 16.405 -18.261 -8.862 144 HE21 GLN 20 HE21 GLN 20 15.932 -19.857 -7.347 145 HE22 GLN 20 HE22 GLN 20 16.253 -19.646 -5.663 146 H LYS 21 H LYS 21 18.725 -18.973 -8.733 147 HA LYS 21 HA LYS 21 19.631 -19.043 -6.070 148 HB2 LYS 21 HB2 LYS 21 18.790 -20.944 -7.684 149 HB3 LYS 21 HB3 LYS 21 20.502 -21.106 -8.055 150 HG2 LYS 21 HG2 LYS 21 20.942 -21.413 -5.632 151 HG3 LYS 21 HG3 LYS 21 19.198 -21.398 -5.357 152 HD2 LYS 21 HD2 LYS 21 20.581 -23.324 -7.218 153 HD3 LYS 21 HD3 LYS 21 20.226 -23.681 -5.526 154 HE2 LYS 21 HE2 LYS 21 18.228 -23.031 -7.690 155 HE3 LYS 21 HE3 LYS 21 18.502 -24.609 -6.953 156 HZ1 LYS 21 HZ1 LYS 21 17.937 -23.374 -4.780 157 HZ2 LYS 21 HZ2 LYS 21 16.677 -23.824 -5.815 158 HZ3 LYS 21 HZ3 LYS 21 17.224 -22.223 -5.794 159 H ALA 22 H ALA 22 21.254 -18.399 -9.066 160 HA ALA 22 HA ALA 22 23.884 -19.005 -8.485 161 HB1 ALA 22 HB1 ALA 22 22.934 -18.120 -10.654 162 HB2 ALA 22 HB2 ALA 22 23.062 -16.509 -9.947 163 HB3 ALA 22 HB3 ALA 22 24.511 -17.486 -10.182 164 H ILE 23 H ILE 23 22.019 -16.146 -7.561 165 HA ILE 23 HA ILE 23 24.224 -14.801 -6.343 166 HB ILE 23 HB ILE 23 21.290 -14.331 -5.814 167 HG12 ILE 23 HG12 ILE 23 23.057 -13.102 -7.942 168 HG13 ILE 23 HG13 ILE 23 21.779 -14.277 -8.235 169 HG21 ILE 23 HG21 ILE 23 21.979 -12.702 -4.477 170 HG22 ILE 23 HG22 ILE 23 23.653 -13.169 -4.774 171 HG23 ILE 23 HG23 ILE 23 22.875 -11.972 -5.809 172 HD11 ILE 23 HD11 ILE 23 20.227 -12.564 -7.134 173 HD12 ILE 23 HD12 ILE 23 21.545 -11.420 -7.389 174 HD13 ILE 23 HD13 ILE 23 20.810 -12.239 -8.767 175 H ASN 24 H ASN 24 21.961 -17.208 -5.317 176 HA ASN 24 HA ASN 24 22.394 -16.775 -2.496 177 HB2 ASN 24 HB2 ASN 24 21.080 -19.116 -3.892 178 HB3 ASN 24 HB3 ASN 24 20.975 -18.728 -2.177 179 HD21 ASN 24 HD21 ASN 24 20.586 -16.014 -2.269 180 HD22 ASN 24 HD22 ASN 24 19.057 -15.677 -3.001 181 H ASP 25 H ASP 25 23.672 -18.813 -5.025 182 HA ASP 25 HA ASP 25 24.930 -20.762 -3.447 183 HB2 ASP 25 HB2 ASP 25 24.600 -20.578 -6.048 184 HB3 ASP 25 HB3 ASP 25 26.181 -19.802 -5.993 185 H ARG 26 H ARG 26 25.860 -17.505 -4.310 186 HA ARG 26 HA ARG 26 28.495 -17.852 -3.096 187 HB2 ARG 26 HB2 ARG 26 29.055 -15.712 -4.022 188 HB3 ARG 26 HB3 ARG 26 28.244 -16.645 -5.273 189 HG2 ARG 26 HG2 ARG 26 26.958 -14.862 -5.579 190 HG3 ARG 26 HG3 ARG 26 26.181 -15.285 -4.052 191 HD2 ARG 26 HD2 ARG 26 27.635 -13.822 -2.835 192 HD3 ARG 26 HD3 ARG 26 28.617 -13.527 -4.270 193 HE ARG 26 HE ARG 26 26.121 -12.703 -4.985 194 HH11 ARG 26 HH11 ARG 26 28.295 -11.947 -2.374 195 HH12 ARG 26 HH12 ARG 26 27.726 -10.320 -2.198 196 HH21 ARG 26 HH21 ARG 26 25.363 -10.563 -4.763 197 HH22 ARG 26 HH22 ARG 26 26.057 -9.534 -3.557 198 H ARG 27 H ARG 27 25.385 -16.460 -2.469 199 HA ARG 27 HA ARG 27 26.040 -15.994 0.270 200 HB2 ARG 27 HB2 ARG 27 26.971 -13.960 -0.954 201 HB3 ARG 27 HB3 ARG 27 25.302 -13.533 -1.305 202 HG2 ARG 27 HG2 ARG 27 25.445 -14.059 1.459 203 HG3 ARG 27 HG3 ARG 27 26.826 -13.038 1.050 204 HD2 ARG 27 HD2 ARG 27 25.279 -11.484 -0.098 205 HD3 ARG 27 HD3 ARG 27 23.926 -12.481 0.434 206 HE ARG 27 HE ARG 27 25.491 -11.720 2.655 207 HH11 ARG 27 HH11 ARG 27 23.239 -10.417 0.341 208 HH12 ARG 27 HH12 ARG 27 22.658 -9.181 1.407 209 HH21 ARG 27 HH21 ARG 27 24.734 -10.097 4.067 210 HH22 ARG 27 HH22 ARG 27 23.510 -8.999 3.526 211 H LYS 28 H LYS 28 24.262 -17.518 0.288 212 HA LYS 28 HA LYS 28 21.669 -16.721 -0.634 213 HB2 LYS 28 HB2 LYS 28 20.891 -18.748 0.574 214 HB3 LYS 28 HB3 LYS 28 22.208 -19.072 -0.546 215 HG2 LYS 28 HG2 LYS 28 23.557 -18.581 1.771 216 HG3 LYS 28 HG3 LYS 28 22.090 -19.370 2.357 217 HD2 LYS 28 HD2 LYS 28 22.535 -21.334 1.216 218 HD3 LYS 28 HD3 LYS 28 23.585 -20.534 0.043 219 HE2 LYS 28 HE2 LYS 28 24.951 -21.855 1.500 220 HE3 LYS 28 HE3 LYS 28 25.230 -20.155 1.871 221 HZ1 LYS 28 HZ1 LYS 28 25.000 -21.494 3.876 222 HZ2 LYS 28 HZ2 LYS 28 23.450 -21.975 3.400 223 HZ3 LYS 28 HZ3 LYS 28 23.757 -20.352 3.765 224 H LYS 29 H LYS 29 23.482 -16.362 2.295 225 HA LYS 29 HA LYS 29 21.517 -16.033 4.206 226 HB2 LYS 29 HB2 LYS 29 24.151 -15.854 4.309 227 HB3 LYS 29 HB3 LYS 29 23.822 -14.131 4.174 228 HG2 LYS 29 HG2 LYS 29 23.617 -14.142 6.386 229 HG3 LYS 29 HG3 LYS 29 22.071 -14.955 6.133 230 HD2 LYS 29 HD2 LYS 29 23.220 -16.304 7.676 231 HD3 LYS 29 HD3 LYS 29 23.408 -17.129 6.126 232 HE2 LYS 29 HE2 LYS 29 25.604 -15.725 5.977 233 HE3 LYS 29 HE3 LYS 29 25.418 -15.601 7.725 234 HZ1 LYS 29 HZ1 LYS 29 26.811 -17.483 7.056 235 HZ2 LYS 29 HZ2 LYS 29 25.510 -18.150 6.204 236 HZ3 LYS 29 HZ3 LYS 29 25.427 -17.991 7.886 Start of MODEL 3 1 H1 SER 1 H SER 1 6.078 2.749 -1.061 2 HA SER 1 HA SER 1 3.360 2.474 -1.587 3 HB2 SER 1 HB2 SER 1 5.823 2.452 -3.287 4 HB3 SER 1 HB3 SER 1 4.280 2.010 -4.018 5 HG SER 1 HG SER 1 4.868 4.304 -4.086 6 H ALA 2 H ALA 2 2.082 0.831 -2.379 7 HA ALA 2 HA ALA 2 2.768 -1.812 -1.592 8 HB1 ALA 2 HB1 ALA 2 0.432 -0.605 -3.027 9 HB2 ALA 2 HB2 ALA 2 0.588 -2.354 -2.853 10 HB3 ALA 2 HB3 ALA 2 0.500 -1.329 -1.420 11 H ILE 3 H ILE 3 2.746 -0.100 -4.658 12 HA ILE 3 HA ILE 3 2.906 -2.192 -6.455 13 HB ILE 3 HB ILE 3 4.446 0.399 -6.642 14 HG12 ILE 3 HG12 ILE 3 2.204 0.660 -8.211 15 HG13 ILE 3 HG13 ILE 3 1.583 -0.223 -6.820 16 HG21 ILE 3 HG21 ILE 3 4.412 0.052 -9.021 17 HG22 ILE 3 HG22 ILE 3 5.099 -1.375 -8.247 18 HG23 ILE 3 HG23 ILE 3 3.436 -1.405 -8.835 19 HD11 ILE 3 HD11 ILE 3 3.267 1.959 -5.990 20 HD12 ILE 3 HD12 ILE 3 1.962 2.515 -7.037 21 HD13 ILE 3 HD13 ILE 3 1.591 1.604 -5.574 22 H LEU 4 H LEU 4 5.403 -0.856 -4.380 23 HA LEU 4 HA LEU 4 7.669 -1.979 -5.523 24 HB2 LEU 4 HB2 LEU 4 7.535 -0.354 -3.597 25 HB3 LEU 4 HB3 LEU 4 7.188 -1.738 -2.562 26 HG LEU 4 HG LEU 4 9.404 -2.696 -3.298 27 HD11 LEU 4 HD11 LEU 4 10.469 -0.073 -3.970 28 HD12 LEU 4 HD12 LEU 4 9.324 -0.680 -5.165 29 HD13 LEU 4 HD13 LEU 4 10.740 -1.639 -4.736 30 HD21 LEU 4 HD21 LEU 4 8.962 -0.338 -1.572 31 HD22 LEU 4 HD22 LEU 4 10.637 -0.732 -1.959 32 HD23 LEU 4 HD23 LEU 4 9.606 -1.931 -1.178 33 H ALA 5 H ALA 5 5.117 -3.471 -3.716 34 HA ALA 5 HA ALA 5 6.605 -5.901 -3.201 35 HB1 ALA 5 HB1 ALA 5 5.037 -5.304 -1.527 36 HB2 ALA 5 HB2 ALA 5 3.743 -5.113 -2.710 37 HB3 ALA 5 HB3 ALA 5 4.380 -6.718 -2.352 38 H ILE 6 H ILE 6 4.470 -4.642 -5.619 39 HA ILE 6 HA ILE 6 3.852 -7.234 -6.747 40 HB ILE 6 HB ILE 6 3.311 -4.464 -7.824 41 HG12 ILE 6 HG12 ILE 6 1.107 -6.191 -6.884 42 HG13 ILE 6 HG13 ILE 6 2.187 -5.602 -5.625 43 HG21 ILE 6 HG21 ILE 6 3.068 -7.077 -9.017 44 HG22 ILE 6 HG22 ILE 6 1.499 -6.281 -8.908 45 HG23 ILE 6 HG23 ILE 6 2.835 -5.486 -9.740 46 HD11 ILE 6 HD11 ILE 6 1.573 -3.416 -7.304 47 HD12 ILE 6 HD12 ILE 6 0.064 -4.248 -6.927 48 HD13 ILE 6 HD13 ILE 6 1.108 -3.679 -5.624 49 H THR 7 H THR 7 5.454 -4.316 -8.038 50 HA THR 7 HA THR 7 6.517 -5.421 -10.330 51 HB THR 7 HB THR 7 6.577 -2.995 -9.741 52 HG1 THR 7 HG1 THR 7 9.210 -3.800 -10.360 53 HG21 THR 7 HG21 THR 7 8.494 -2.166 -8.435 54 HG22 THR 7 HG22 THR 7 8.943 -3.829 -8.058 55 HG23 THR 7 HG23 THR 7 7.420 -3.170 -7.463 56 H LEU 8 H LEU 8 7.639 -5.700 -7.035 57 HA LEU 8 HA LEU 8 10.212 -6.766 -7.700 58 HB2 LEU 8 HB2 LEU 8 9.644 -5.600 -5.563 59 HB3 LEU 8 HB3 LEU 8 8.705 -7.018 -5.103 60 HG LEU 8 HG LEU 8 11.495 -7.580 -5.830 61 HD11 LEU 8 HD11 LEU 8 10.790 -5.680 -3.641 62 HD12 LEU 8 HD12 LEU 8 12.164 -5.666 -4.746 63 HD13 LEU 8 HD13 LEU 8 12.116 -6.821 -3.415 64 HD21 LEU 8 HD21 LEU 8 9.437 -8.462 -3.890 65 HD22 LEU 8 HD22 LEU 8 11.126 -8.662 -3.424 66 HD23 LEU 8 HD23 LEU 8 10.524 -9.412 -4.903 67 H GLY 9 H GLY 9 7.221 -8.208 -6.392 68 HA2 GLY 9 HA2 GLY 9 8.090 -10.866 -6.384 69 HA3 GLY 9 HA3 GLY 9 6.412 -10.352 -6.490 70 H ILE 10 H ILE 10 6.499 -9.006 -8.946 71 HA ILE 10 HA ILE 10 6.217 -11.187 -10.735 72 HB ILE 10 HB ILE 10 6.342 -8.233 -11.350 73 HG12 ILE 10 HG12 ILE 10 4.541 -8.842 -9.777 74 HG13 ILE 10 HG13 ILE 10 3.901 -8.328 -11.334 75 HG21 ILE 10 HG21 ILE 10 5.304 -10.529 -13.007 76 HG22 ILE 10 HG22 ILE 10 5.195 -8.821 -13.429 77 HG23 ILE 10 HG23 ILE 10 6.772 -9.603 -13.320 78 HD11 ILE 10 HD11 ILE 10 3.612 -10.697 -11.952 79 HD12 ILE 10 HD12 ILE 10 4.154 -11.153 -10.337 80 HD13 ILE 10 HD13 ILE 10 2.668 -10.225 -10.539 81 H PHE 11 H PHE 11 8.808 -8.957 -10.047 82 HA PHE 11 HA PHE 11 10.323 -9.669 -12.402 83 HB2 PHE 11 HB2 PHE 11 10.376 -7.403 -11.213 84 HB3 PHE 11 HB3 PHE 11 11.370 -8.191 -9.992 85 HD1 PHE 11 HD1 PHE 11 11.310 -8.358 -13.719 86 HD2 PHE 11 HD2 PHE 11 13.548 -7.504 -10.200 87 HE1 PHE 11 HE1 PHE 11 13.310 -7.951 -15.093 88 HE2 PHE 11 HE2 PHE 11 15.551 -7.095 -11.569 89 HZ PHE 11 HZ PHE 11 15.433 -7.318 -14.019 90 H ALA 12 H ALA 12 10.053 -10.708 -9.110 91 HA ALA 12 HA ALA 12 12.547 -11.931 -8.751 92 HB1 ALA 12 HB1 ALA 12 10.551 -13.480 -7.445 93 HB2 ALA 12 HB2 ALA 12 11.669 -12.305 -6.750 94 HB3 ALA 12 HB3 ALA 12 10.094 -11.779 -7.345 95 H THR 13 H THR 13 9.466 -13.512 -9.623 96 HA THR 13 HA THR 13 10.549 -16.010 -10.233 97 HB THR 13 HB THR 13 8.165 -14.955 -11.721 98 HG1 THR 13 HG1 THR 13 8.246 -15.721 -8.974 99 HG21 THR 13 HG21 THR 13 7.791 -17.484 -10.470 100 HG22 THR 13 HG22 THR 13 9.354 -17.497 -11.286 101 HG23 THR 13 HG23 THR 13 7.889 -17.113 -12.190 102 H GLY 14 H GLY 14 10.504 -13.067 -12.062 103 HA2 GLY 14 HA2 GLY 14 10.727 -13.964 -14.671 104 HA3 GLY 14 HA3 GLY 14 11.499 -12.510 -14.055 105 H TYR 15 H TYR 15 13.084 -14.106 -12.109 106 HA TYR 15 HA TYR 15 15.353 -14.539 -13.776 107 HB2 TYR 15 HB2 TYR 15 14.801 -14.946 -10.849 108 HB3 TYR 15 HB3 TYR 15 16.315 -15.482 -11.568 109 HD1 TYR 15 HD1 TYR 15 15.191 -13.056 -9.582 110 HD2 TYR 15 HD2 TYR 15 17.062 -13.396 -13.389 111 HE1 TYR 15 HE1 TYR 15 16.107 -10.788 -9.328 112 HE2 TYR 15 HE2 TYR 15 17.983 -11.129 -13.145 113 HH TYR 15 HH TYR 15 18.266 -9.395 -11.770 114 H GLY 16 H GLY 16 13.987 -16.847 -11.433 115 HA2 GLY 16 HA2 GLY 16 13.067 -18.935 -12.652 116 HA3 GLY 16 HA3 GLY 16 14.701 -19.011 -13.294 117 H MET 17 H MET 17 14.833 -21.121 -12.316 118 HA MET 17 HA MET 17 14.767 -21.313 -9.435 119 HB2 MET 17 HB2 MET 17 14.010 -23.208 -10.749 120 HB3 MET 17 HB3 MET 17 15.566 -23.306 -11.562 121 HG2 MET 17 HG2 MET 17 16.642 -23.892 -9.461 122 HG3 MET 17 HG3 MET 17 15.097 -23.762 -8.625 123 HE1 MET 17 HE1 MET 17 13.991 -25.422 -7.935 124 HE2 MET 17 HE2 MET 17 13.676 -27.002 -8.653 125 HE3 MET 17 HE3 MET 17 15.180 -26.715 -7.777 126 H GLY 18 H GLY 18 17.293 -21.972 -11.877 127 HA2 GLY 18 HA2 GLY 18 19.354 -21.749 -9.850 128 HA3 GLY 18 HA3 GLY 18 19.594 -22.137 -11.547 129 H VAL 19 H VAL 19 17.865 -19.684 -12.163 130 HA VAL 19 HA VAL 19 19.944 -17.905 -12.734 131 HB VAL 19 HB VAL 19 17.000 -17.280 -12.455 132 HG11 VAL 19 HG11 VAL 19 19.280 -15.765 -13.704 133 HG12 VAL 19 HG12 VAL 19 17.588 -15.446 -14.091 134 HG13 VAL 19 HG13 VAL 19 18.173 -15.225 -12.442 135 HG21 VAL 19 HG21 VAL 19 16.819 -18.676 -14.196 136 HG22 VAL 19 HG22 VAL 19 17.577 -17.387 -15.130 137 HG23 VAL 19 HG23 VAL 19 18.560 -18.698 -14.479 138 H GLN 20 H GLN 20 17.323 -17.410 -10.359 139 HA GLN 20 HA GLN 20 18.627 -15.234 -9.093 140 HB2 GLN 20 HB2 GLN 20 16.882 -15.486 -7.357 141 HB3 GLN 20 HB3 GLN 20 16.218 -15.456 -8.984 142 HG2 GLN 20 HG2 GLN 20 15.028 -17.178 -8.092 143 HG3 GLN 20 HG3 GLN 20 16.397 -18.062 -8.764 144 HE21 GLN 20 HE21 GLN 20 16.566 -19.735 -7.407 145 HE22 GLN 20 HE22 GLN 20 16.819 -19.606 -5.703 146 H LYS 21 H LYS 21 18.777 -18.670 -8.691 147 HA LYS 21 HA LYS 21 19.778 -18.747 -6.046 148 HB2 LYS 21 HB2 LYS 21 18.834 -20.714 -7.192 149 HB3 LYS 21 HB3 LYS 21 20.196 -20.714 -8.305 150 HG2 LYS 21 HG2 LYS 21 21.653 -21.531 -6.746 151 HG3 LYS 21 HG3 LYS 21 20.750 -20.858 -5.388 152 HD2 LYS 21 HD2 LYS 21 20.560 -23.284 -5.425 153 HD3 LYS 21 HD3 LYS 21 18.992 -22.535 -5.737 154 HE2 LYS 21 HE2 LYS 21 18.990 -23.155 -7.959 155 HE3 LYS 21 HE3 LYS 21 20.748 -23.276 -8.035 156 HZ1 LYS 21 HZ1 LYS 21 20.678 -25.409 -7.462 157 HZ2 LYS 21 HZ2 LYS 21 19.015 -25.356 -7.766 158 HZ3 LYS 21 HZ3 LYS 21 19.593 -25.138 -6.192 159 H ALA 22 H ALA 22 21.234 -18.058 -9.112 160 HA ALA 22 HA ALA 22 23.894 -18.658 -8.690 161 HB1 ALA 22 HB1 ALA 22 22.826 -17.739 -10.785 162 HB2 ALA 22 HB2 ALA 22 22.975 -16.140 -10.054 163 HB3 ALA 22 HB3 ALA 22 24.419 -17.096 -10.385 164 H ILE 23 H ILE 23 22.077 -15.820 -7.615 165 HA ILE 23 HA ILE 23 24.348 -14.505 -6.482 166 HB ILE 23 HB ILE 23 21.446 -14.022 -5.811 167 HG12 ILE 23 HG12 ILE 23 21.808 -13.935 -8.249 168 HG13 ILE 23 HG13 ILE 23 21.447 -12.344 -7.588 169 HG21 ILE 23 HG21 ILE 23 22.337 -12.567 -4.378 170 HG22 ILE 23 HG22 ILE 23 23.952 -12.781 -5.052 171 HG23 ILE 23 HG23 ILE 23 22.836 -11.630 -5.786 172 HD11 ILE 23 HD11 ILE 23 23.196 -12.155 -9.213 173 HD12 ILE 23 HD12 ILE 23 23.866 -11.840 -7.612 174 HD13 ILE 23 HD13 ILE 23 24.147 -13.395 -8.395 175 H ASN 24 H ASN 24 22.115 -16.913 -5.394 176 HA ASN 24 HA ASN 24 22.662 -16.526 -2.589 177 HB2 ASN 24 HB2 ASN 24 21.132 -18.598 -4.153 178 HB3 ASN 24 HB3 ASN 24 21.414 -18.767 -2.423 179 HD21 ASN 24 HD21 ASN 24 20.525 -16.084 -4.573 180 HD22 ASN 24 HD22 ASN 24 19.147 -15.586 -3.657 181 H ASP 25 H ASP 25 23.864 -18.505 -5.197 182 HA ASP 25 HA ASP 25 25.129 -20.550 -3.837 183 HB2 ASP 25 HB2 ASP 25 25.100 -20.639 -6.208 184 HB3 ASP 25 HB3 ASP 25 25.897 -19.075 -6.352 185 H ARG 26 H ARG 26 26.017 -17.192 -4.095 186 HA ARG 26 HA ARG 26 28.591 -17.697 -2.796 187 HB2 ARG 26 HB2 ARG 26 27.454 -15.125 -3.910 188 HB3 ARG 26 HB3 ARG 26 29.082 -15.345 -3.283 189 HG2 ARG 26 HG2 ARG 26 27.973 -16.841 -5.646 190 HG3 ARG 26 HG3 ARG 26 28.920 -15.356 -5.763 191 HD2 ARG 26 HD2 ARG 26 29.940 -17.762 -4.288 192 HD3 ARG 26 HD3 ARG 26 30.144 -17.595 -6.031 193 HE ARG 26 HE ARG 26 31.041 -15.273 -4.661 194 HH11 ARG 26 HH11 ARG 26 31.920 -18.552 -5.431 195 HH12 ARG 26 HH12 ARG 26 33.624 -18.256 -5.335 196 HH21 ARG 26 HH21 ARG 26 33.282 -14.871 -4.531 197 HH22 ARG 26 HH22 ARG 26 34.398 -16.162 -4.822 198 H ARG 27 H ARG 27 25.677 -15.699 -2.378 199 HA ARG 27 HA ARG 27 26.113 -15.801 0.520 200 HB2 ARG 27 HB2 ARG 27 26.879 -13.593 -0.664 201 HB3 ARG 27 HB3 ARG 27 25.155 -13.251 -0.726 202 HG2 ARG 27 HG2 ARG 27 26.349 -14.064 1.872 203 HG3 ARG 27 HG3 ARG 27 26.641 -12.430 1.274 204 HD2 ARG 27 HD2 ARG 27 23.944 -13.715 1.694 205 HD3 ARG 27 HD3 ARG 27 24.687 -12.502 2.736 206 HE ARG 27 HE ARG 27 24.471 -11.592 0.047 207 HH11 ARG 27 HH11 ARG 27 22.667 -12.077 2.984 208 HH12 ARG 27 HH12 ARG 27 21.506 -10.840 2.629 209 HH21 ARG 27 HH21 ARG 27 22.949 -9.962 -0.432 210 HH22 ARG 27 HH22 ARG 27 21.667 -9.638 0.686 211 H LYS 28 H LYS 28 24.428 -17.483 0.106 212 HA LYS 28 HA LYS 28 21.842 -16.824 -0.789 213 HB2 LYS 28 HB2 LYS 28 21.141 -18.920 0.215 214 HB3 LYS 28 HB3 LYS 28 22.685 -19.138 -0.597 215 HG2 LYS 28 HG2 LYS 28 23.832 -18.970 1.566 216 HG3 LYS 28 HG3 LYS 28 22.268 -18.800 2.366 217 HD2 LYS 28 HD2 LYS 28 22.768 -21.145 0.583 218 HD3 LYS 28 HD3 LYS 28 23.427 -21.139 2.221 219 HE2 LYS 28 HE2 LYS 28 21.070 -20.565 2.992 220 HE3 LYS 28 HE3 LYS 28 20.548 -20.991 1.363 221 HZ1 LYS 28 HZ1 LYS 28 22.189 -22.877 2.916 222 HZ2 LYS 28 HZ2 LYS 28 21.089 -23.192 1.671 223 HZ3 LYS 28 HZ3 LYS 28 20.526 -22.773 3.210 224 H LYS 29 H LYS 29 20.077 -16.011 0.209 225 HA LYS 29 HA LYS 29 20.291 -15.399 3.082 226 HB2 LYS 29 HB2 LYS 29 20.658 -13.358 1.781 227 HB3 LYS 29 HB3 LYS 29 19.147 -13.620 0.920 228 HG2 LYS 29 HG2 LYS 29 18.869 -11.934 2.630 229 HG3 LYS 29 HG3 LYS 29 17.912 -13.365 3.019 230 HD2 LYS 29 HD2 LYS 29 19.254 -13.947 4.792 231 HD3 LYS 29 HD3 LYS 29 20.674 -13.142 4.119 232 HE2 LYS 29 HE2 LYS 29 19.658 -10.964 4.614 233 HE3 LYS 29 HE3 LYS 29 18.255 -11.780 5.302 234 HZ1 LYS 29 HZ1 LYS 29 19.370 -11.609 7.212 235 HZ2 LYS 29 HZ2 LYS 29 20.851 -11.309 6.453 236 HZ3 LYS 29 HZ3 LYS 29 20.308 -12.899 6.647 Start of MODEL 4 1 H1 SER 1 H SER 1 2.640 3.604 -1.901 2 HA SER 1 HA SER 1 3.898 2.742 -3.589 3 HB2 SER 1 HB2 SER 1 5.612 1.800 -1.278 4 HB3 SER 1 HB3 SER 1 6.106 1.775 -2.970 5 HG SER 1 HG SER 1 5.485 4.042 -1.384 6 H ALA 2 H ALA 2 1.701 1.253 -2.999 7 HA ALA 2 HA ALA 2 2.058 -1.439 -2.396 8 HB1 ALA 2 HB1 ALA 2 -0.149 -0.636 -2.462 9 HB2 ALA 2 HB2 ALA 2 0.032 -0.026 -4.107 10 HB3 ALA 2 HB3 ALA 2 -0.030 -1.764 -3.813 11 H ILE 3 H ILE 3 2.785 0.324 -5.297 12 HA ILE 3 HA ILE 3 2.868 -1.821 -7.122 13 HB ILE 3 HB ILE 3 4.547 0.688 -7.189 14 HG12 ILE 3 HG12 ILE 3 2.478 1.077 -8.941 15 HG13 ILE 3 HG13 ILE 3 1.678 0.210 -7.634 16 HG21 ILE 3 HG21 ILE 3 4.725 0.315 -9.546 17 HG22 ILE 3 HG22 ILE 3 5.214 -1.163 -8.718 18 HG23 ILE 3 HG23 ILE 3 3.619 -1.056 -9.463 19 HD11 ILE 3 HD11 ILE 3 1.773 1.966 -6.260 20 HD12 ILE 3 HD12 ILE 3 3.419 2.381 -6.741 21 HD13 ILE 3 HD13 ILE 3 2.054 2.895 -7.732 22 H LEU 4 H LEU 4 5.226 -0.551 -4.845 23 HA LEU 4 HA LEU 4 7.530 -1.801 -5.751 24 HB2 LEU 4 HB2 LEU 4 6.849 -0.269 -3.591 25 HB3 LEU 4 HB3 LEU 4 7.214 -1.821 -2.840 26 HG LEU 4 HG LEU 4 9.144 -0.307 -2.845 27 HD11 LEU 4 HD11 LEU 4 10.001 -2.357 -4.778 28 HD12 LEU 4 HD12 LEU 4 9.136 -2.949 -3.360 29 HD13 LEU 4 HD13 LEU 4 10.604 -1.992 -3.161 30 HD21 LEU 4 HD21 LEU 4 8.462 0.791 -5.032 31 HD22 LEU 4 HD22 LEU 4 9.203 -0.592 -5.837 32 HD23 LEU 4 HD23 LEU 4 10.181 0.461 -4.813 33 H ALA 5 H ALA 5 4.759 -3.137 -4.151 34 HA ALA 5 HA ALA 5 6.080 -5.623 -3.471 35 HB1 ALA 5 HB1 ALA 5 4.429 -5.006 -1.928 36 HB2 ALA 5 HB2 ALA 5 3.263 -4.624 -3.195 37 HB3 ALA 5 HB3 ALA 5 3.692 -6.303 -2.870 38 H ILE 6 H ILE 6 4.165 -4.325 -6.062 39 HA ILE 6 HA ILE 6 3.518 -6.894 -7.202 40 HB ILE 6 HB ILE 6 3.273 -4.126 -8.385 41 HG12 ILE 6 HG12 ILE 6 0.879 -5.677 -7.619 42 HG13 ILE 6 HG13 ILE 6 1.874 -5.121 -6.279 43 HG21 ILE 6 HG21 ILE 6 2.362 -6.821 -9.348 44 HG22 ILE 6 HG22 ILE 6 1.622 -5.321 -9.904 45 HG23 ILE 6 HG23 ILE 6 3.335 -5.621 -10.199 46 HD11 ILE 6 HD11 ILE 6 1.545 -2.965 -8.091 47 HD12 ILE 6 HD12 ILE 6 -0.036 -3.678 -7.772 48 HD13 ILE 6 HD13 ILE 6 0.965 -3.118 -6.433 49 H THR 7 H THR 7 5.406 -4.126 -8.436 50 HA THR 7 HA THR 7 6.608 -5.390 -10.573 51 HB THR 7 HB THR 7 6.748 -2.945 -10.083 52 HG1 THR 7 HG1 THR 7 8.949 -2.791 -10.875 53 HG21 THR 7 HG21 THR 7 8.547 -2.138 -8.631 54 HG22 THR 7 HG22 THR 7 8.927 -3.798 -8.173 55 HG23 THR 7 HG23 THR 7 7.376 -3.092 -7.721 56 H LEU 8 H LEU 8 7.411 -5.571 -7.179 57 HA LEU 8 HA LEU 8 9.969 -6.800 -7.560 58 HB2 LEU 8 HB2 LEU 8 9.335 -5.507 -5.541 59 HB3 LEU 8 HB3 LEU 8 8.211 -6.795 -5.112 60 HG LEU 8 HG LEU 8 11.053 -7.550 -5.505 61 HD11 LEU 8 HD11 LEU 8 11.429 -5.580 -4.249 62 HD12 LEU 8 HD12 LEU 8 11.489 -6.921 -3.106 63 HD13 LEU 8 HD13 LEU 8 10.052 -5.903 -3.196 64 HD21 LEU 8 HD21 LEU 8 9.837 -8.485 -3.106 65 HD22 LEU 8 HD22 LEU 8 10.298 -9.399 -4.542 66 HD23 LEU 8 HD23 LEU 8 8.691 -8.679 -4.432 67 H GLY 9 H GLY 9 6.858 -8.043 -6.319 68 HA2 GLY 9 HA2 GLY 9 7.553 -10.725 -6.163 69 HA3 GLY 9 HA3 GLY 9 5.921 -10.136 -6.436 70 H ILE 10 H ILE 10 6.320 -8.917 -8.944 71 HA ILE 10 HA ILE 10 6.104 -11.206 -10.632 72 HB ILE 10 HB ILE 10 6.275 -8.285 -11.382 73 HG12 ILE 10 HG12 ILE 10 4.366 -8.774 -9.925 74 HG13 ILE 10 HG13 ILE 10 3.825 -8.418 -11.562 75 HG21 ILE 10 HG21 ILE 10 5.001 -9.226 -13.433 76 HG22 ILE 10 HG22 ILE 10 6.754 -9.398 -13.354 77 HG23 ILE 10 HG23 ILE 10 5.715 -10.766 -12.955 78 HD11 ILE 10 HD11 ILE 10 3.525 -10.788 -11.992 79 HD12 ILE 10 HD12 ILE 10 4.107 -11.166 -10.370 80 HD13 ILE 10 HD13 ILE 10 2.598 -10.278 -10.581 81 H PHE 11 H PHE 11 8.673 -9.057 -9.764 82 HA PHE 11 HA PHE 11 10.343 -9.760 -12.015 83 HB2 PHE 11 HB2 PHE 11 10.487 -7.524 -10.976 84 HB3 PHE 11 HB3 PHE 11 11.031 -8.266 -9.475 85 HD1 PHE 11 HD1 PHE 11 11.931 -8.308 -13.099 86 HD2 PHE 11 HD2 PHE 11 13.281 -8.223 -9.063 87 HE1 PHE 11 HE1 PHE 11 14.259 -8.175 -13.884 88 HE2 PHE 11 HE2 PHE 11 15.611 -8.088 -9.842 89 HZ PHE 11 HZ PHE 11 16.103 -8.063 -12.255 90 H ALA 12 H ALA 12 9.794 -10.864 -8.778 91 HA ALA 12 HA ALA 12 12.200 -12.161 -8.228 92 HB1 ALA 12 HB1 ALA 12 10.053 -13.732 -7.215 93 HB2 ALA 12 HB2 ALA 12 11.110 -12.615 -6.351 94 HB3 ALA 12 HB3 ALA 12 9.617 -12.028 -7.082 95 H THR 13 H THR 13 9.212 -13.697 -9.440 96 HA THR 13 HA THR 13 10.394 -16.151 -10.084 97 HB THR 13 HB THR 13 8.004 -14.976 -11.504 98 HG1 THR 13 HG1 THR 13 6.796 -15.493 -9.767 99 HG21 THR 13 HG21 THR 13 7.358 -17.498 -11.272 100 HG22 THR 13 HG22 THR 13 9.096 -17.727 -11.074 101 HG23 THR 13 HG23 THR 13 8.465 -16.989 -12.546 102 H GLY 14 H GLY 14 10.352 -13.126 -11.774 103 HA2 GLY 14 HA2 GLY 14 10.717 -13.876 -14.409 104 HA3 GLY 14 HA3 GLY 14 11.439 -12.449 -13.681 105 H TYR 15 H TYR 15 13.032 -13.963 -11.772 106 HA TYR 15 HA TYR 15 15.353 -14.317 -13.339 107 HB2 TYR 15 HB2 TYR 15 14.660 -14.903 -10.476 108 HB3 TYR 15 HB3 TYR 15 16.209 -15.411 -11.141 109 HD1 TYR 15 HD1 TYR 15 14.803 -12.988 -9.215 110 HD2 TYR 15 HD2 TYR 15 17.247 -13.335 -12.680 111 HE1 TYR 15 HE1 TYR 15 15.713 -10.742 -8.791 112 HE2 TYR 15 HE2 TYR 15 18.165 -11.091 -12.265 113 HH TYR 15 HH TYR 15 17.939 -9.204 -11.062 114 H GLY 16 H GLY 16 13.956 -16.810 -11.216 115 HA2 GLY 16 HA2 GLY 16 13.134 -18.832 -12.601 116 HA3 GLY 16 HA3 GLY 16 14.788 -18.823 -13.195 117 H MET 17 H MET 17 14.848 -21.021 -12.345 118 HA MET 17 HA MET 17 14.770 -21.365 -9.478 119 HB2 MET 17 HB2 MET 17 14.003 -23.146 -11.012 120 HB3 MET 17 HB3 MET 17 15.639 -23.293 -11.639 121 HG2 MET 17 HG2 MET 17 16.426 -24.311 -9.743 122 HG3 MET 17 HG3 MET 17 15.181 -23.603 -8.716 123 HE1 MET 17 HE1 MET 17 15.120 -26.343 -7.677 124 HE2 MET 17 HE2 MET 17 14.968 -27.665 -8.834 125 HE3 MET 17 HE3 MET 17 16.361 -26.585 -8.907 126 H GLY 18 H GLY 18 17.292 -21.937 -11.947 127 HA2 GLY 18 HA2 GLY 18 19.350 -21.855 -9.908 128 HA3 GLY 18 HA3 GLY 18 19.588 -22.157 -11.623 129 H VAL 19 H VAL 19 17.900 -19.645 -12.108 130 HA VAL 19 HA VAL 19 20.021 -17.874 -12.565 131 HB VAL 19 HB VAL 19 17.113 -17.116 -12.267 132 HG11 VAL 19 HG11 VAL 19 19.508 -15.806 -13.494 133 HG12 VAL 19 HG12 VAL 19 17.886 -15.452 -14.093 134 HG13 VAL 19 HG13 VAL 19 18.296 -15.126 -12.408 135 HG21 VAL 19 HG21 VAL 19 16.682 -18.395 -14.032 136 HG22 VAL 19 HG22 VAL 19 17.783 -17.396 -14.980 137 HG23 VAL 19 HG23 VAL 19 18.381 -18.846 -14.174 138 H GLN 20 H GLN 20 17.358 -17.459 -10.222 139 HA GLN 20 HA GLN 20 18.606 -15.344 -8.835 140 HB2 GLN 20 HB2 GLN 20 16.890 -15.747 -7.101 141 HB3 GLN 20 HB3 GLN 20 16.208 -15.662 -8.720 142 HG2 GLN 20 HG2 GLN 20 15.094 -17.474 -7.929 143 HG3 GLN 20 HG3 GLN 20 16.507 -18.275 -8.615 144 HE21 GLN 20 HE21 GLN 20 16.224 -20.032 -7.220 145 HE22 GLN 20 HE22 GLN 20 16.647 -19.940 -5.548 146 H LYS 21 H LYS 21 18.898 -18.784 -8.616 147 HA LYS 21 HA LYS 21 19.877 -19.018 -5.991 148 HB2 LYS 21 HB2 LYS 21 19.229 -20.795 -7.904 149 HB3 LYS 21 HB3 LYS 21 20.980 -20.830 -8.064 150 HG2 LYS 21 HG2 LYS 21 20.786 -22.443 -6.505 151 HG3 LYS 21 HG3 LYS 21 20.785 -21.062 -5.406 152 HD2 LYS 21 HD2 LYS 21 18.975 -22.455 -4.756 153 HD3 LYS 21 HD3 LYS 21 18.271 -21.064 -5.585 154 HE2 LYS 21 HE2 LYS 21 17.110 -22.754 -6.595 155 HE3 LYS 21 HE3 LYS 21 18.490 -22.641 -7.686 156 HZ1 LYS 21 HZ1 LYS 21 17.725 -24.774 -5.900 157 HZ2 LYS 21 HZ2 LYS 21 19.369 -24.382 -5.836 158 HZ3 LYS 21 HZ3 LYS 21 18.662 -24.824 -7.308 159 H ALA 22 H ALA 22 21.352 -17.927 -8.930 160 HA ALA 22 HA ALA 22 24.041 -18.345 -8.471 161 HB1 ALA 22 HB1 ALA 22 22.953 -17.324 -10.510 162 HB2 ALA 22 HB2 ALA 22 22.952 -15.794 -9.633 163 HB3 ALA 22 HB3 ALA 22 24.478 -16.598 -10.001 164 H ILE 23 H ILE 23 21.960 -15.777 -7.208 165 HA ILE 23 HA ILE 23 24.075 -14.384 -5.887 166 HB ILE 23 HB ILE 23 21.116 -14.232 -5.307 167 HG12 ILE 23 HG12 ILE 23 22.760 -12.526 -7.188 168 HG13 ILE 23 HG13 ILE 23 21.683 -13.819 -7.704 169 HG21 ILE 23 HG21 ILE 23 22.519 -13.259 -3.570 170 HG22 ILE 23 HG22 ILE 23 23.357 -12.286 -4.777 171 HG23 ILE 23 HG23 ILE 23 21.648 -12.002 -4.449 172 HD11 ILE 23 HD11 ILE 23 20.302 -11.988 -5.974 173 HD12 ILE 23 HD12 ILE 23 21.050 -11.137 -7.326 174 HD13 ILE 23 HD13 ILE 23 19.935 -12.469 -7.630 175 H ASN 24 H ASN 24 22.045 -17.070 -5.091 176 HA ASN 24 HA ASN 24 22.500 -16.903 -2.248 177 HB2 ASN 24 HB2 ASN 24 21.353 -19.163 -3.902 178 HB3 ASN 24 HB3 ASN 24 21.300 -19.040 -2.146 179 HD21 ASN 24 HD21 ASN 24 20.593 -16.501 -1.685 180 HD22 ASN 24 HD22 ASN 24 19.037 -16.163 -2.356 181 H ASP 25 H ASP 25 23.907 -18.537 -4.993 182 HA ASP 25 HA ASP 25 25.321 -20.579 -3.790 183 HB2 ASP 25 HB2 ASP 25 25.153 -19.853 -6.293 184 HB3 ASP 25 HB3 ASP 25 26.606 -18.923 -5.937 185 H ARG 26 H ARG 26 25.969 -17.145 -3.788 186 HA ARG 26 HA ARG 26 28.515 -17.573 -2.402 187 HB2 ARG 26 HB2 ARG 26 27.266 -15.090 -3.588 188 HB3 ARG 26 HB3 ARG 26 28.782 -15.096 -2.697 189 HG2 ARG 26 HG2 ARG 26 29.841 -16.442 -4.352 190 HG3 ARG 26 HG3 ARG 26 28.307 -16.729 -5.176 191 HD2 ARG 26 HD2 ARG 26 29.370 -15.082 -6.459 192 HD3 ARG 26 HD3 ARG 26 28.195 -14.200 -5.485 193 HE ARG 26 HE ARG 26 30.551 -14.172 -4.051 194 HH11 ARG 26 HH11 ARG 26 29.456 -13.070 -7.167 195 HH12 ARG 26 HH12 ARG 26 30.563 -11.738 -7.230 196 HH21 ARG 26 HH21 ARG 26 32.013 -12.422 -4.123 197 HH22 ARG 26 HH22 ARG 26 32.017 -11.371 -5.498 198 H ARG 27 H ARG 27 25.460 -15.791 -2.035 199 HA ARG 27 HA ARG 27 25.846 -15.905 0.877 200 HB2 ARG 27 HB2 ARG 27 26.312 -13.610 -0.235 201 HB3 ARG 27 HB3 ARG 27 24.567 -13.525 -0.434 202 HG2 ARG 27 HG2 ARG 27 25.124 -12.356 1.555 203 HG3 ARG 27 HG3 ARG 27 24.347 -13.868 2.029 204 HD2 ARG 27 HD2 ARG 27 26.295 -13.406 3.422 205 HD3 ARG 27 HD3 ARG 27 26.534 -14.863 2.458 206 HE ARG 27 HE ARG 27 27.602 -12.686 1.059 207 HH11 ARG 27 HH11 ARG 27 28.189 -14.536 3.949 208 HH12 ARG 27 HH12 ARG 27 29.899 -14.255 3.938 209 HH21 ARG 27 HH21 ARG 27 29.851 -12.310 1.033 210 HH22 ARG 27 HH22 ARG 27 30.843 -12.988 2.279 211 H LYS 28 H LYS 28 24.439 -17.823 0.432 212 HA LYS 28 HA LYS 28 21.805 -17.590 -0.500 213 HB2 LYS 28 HB2 LYS 28 21.407 -19.736 0.583 214 HB3 LYS 28 HB3 LYS 28 22.966 -19.743 -0.231 215 HG2 LYS 28 HG2 LYS 28 23.824 -19.021 2.156 216 HG3 LYS 28 HG3 LYS 28 22.335 -19.817 2.669 217 HD2 LYS 28 HD2 LYS 28 23.828 -21.572 2.717 218 HD3 LYS 28 HD3 LYS 28 23.159 -21.732 1.091 219 HE2 LYS 28 HE2 LYS 28 25.566 -20.026 1.462 220 HE3 LYS 28 HE3 LYS 28 25.768 -21.775 1.545 221 HZ1 LYS 28 HZ1 LYS 28 26.096 -21.257 -0.683 222 HZ2 LYS 28 HZ2 LYS 28 24.828 -20.139 -0.727 223 HZ3 LYS 28 HZ3 LYS 28 24.492 -21.795 -0.645 224 H LYS 29 H LYS 29 19.896 -18.192 1.040 225 HA LYS 29 HA LYS 29 20.019 -16.414 3.388 226 HB2 LYS 29 HB2 LYS 29 17.618 -16.888 1.613 227 HB3 LYS 29 HB3 LYS 29 17.708 -15.785 2.980 228 HG2 LYS 29 HG2 LYS 29 19.311 -15.547 0.441 229 HG3 LYS 29 HG3 LYS 29 17.861 -14.621 0.833 230 HD2 LYS 29 HD2 LYS 29 20.321 -14.615 2.568 231 HD3 LYS 29 HD3 LYS 29 20.075 -13.465 1.252 232 HE2 LYS 29 HE2 LYS 29 17.911 -12.825 2.334 233 HE3 LYS 29 HE3 LYS 29 18.362 -13.839 3.704 234 HZ1 LYS 29 HZ1 LYS 29 19.517 -12.151 4.510 235 HZ2 LYS 29 HZ2 LYS 29 19.118 -11.191 3.176 236 HZ3 LYS 29 HZ3 LYS 29 20.512 -12.149 3.141 Start of MODEL 5 1 H1 SER 1 H SER 1 5.370 1.233 0.613 2 HA SER 1 HA SER 1 3.377 1.117 -1.213 3 HB2 SER 1 HB2 SER 1 6.319 0.648 -1.757 4 HB3 SER 1 HB3 SER 1 5.122 1.068 -2.982 5 HG SER 1 HG SER 1 5.668 2.652 -0.693 6 H ALA 2 H ALA 2 2.127 -0.476 -1.901 7 HA ALA 2 HA ALA 2 2.789 -3.223 -1.579 8 HB1 ALA 2 HB1 ALA 2 0.569 -2.103 -3.275 9 HB2 ALA 2 HB2 ALA 2 0.658 -3.696 -2.522 10 HB3 ALA 2 HB3 ALA 2 0.475 -2.256 -1.520 11 H ILE 3 H ILE 3 3.040 -0.947 -4.213 12 HA ILE 3 HA ILE 3 3.247 -2.672 -6.384 13 HB ILE 3 HB ILE 3 4.780 -0.101 -5.977 14 HG12 ILE 3 HG12 ILE 3 2.668 0.469 -7.629 15 HG13 ILE 3 HG13 ILE 3 1.947 -0.683 -6.510 16 HG21 ILE 3 HG21 ILE 3 4.887 0.006 -8.393 17 HG22 ILE 3 HG22 ILE 3 5.602 -1.503 -7.827 18 HG23 ILE 3 HG23 ILE 3 3.982 -1.502 -8.525 19 HD11 ILE 3 HD11 ILE 3 2.073 1.966 -6.080 20 HD12 ILE 3 HD12 ILE 3 2.001 0.760 -4.794 21 HD13 ILE 3 HD13 ILE 3 3.553 1.445 -5.276 22 H LEU 4 H LEU 4 5.627 -1.781 -3.960 23 HA LEU 4 HA LEU 4 7.959 -2.672 -5.152 24 HB2 LEU 4 HB2 LEU 4 7.789 -1.487 -2.981 25 HB3 LEU 4 HB3 LEU 4 7.210 -2.982 -2.249 26 HG LEU 4 HG LEU 4 9.468 -3.958 -3.104 27 HD11 LEU 4 HD11 LEU 4 11.130 -1.885 -2.742 28 HD12 LEU 4 HD12 LEU 4 9.785 -1.055 -3.524 29 HD13 LEU 4 HD13 LEU 4 10.568 -2.415 -4.328 30 HD21 LEU 4 HD21 LEU 4 9.767 -2.020 -0.852 31 HD22 LEU 4 HD22 LEU 4 10.332 -3.686 -0.985 32 HD23 LEU 4 HD23 LEU 4 8.621 -3.353 -0.712 33 H ALA 5 H ALA 5 5.372 -4.506 -3.672 34 HA ALA 5 HA ALA 5 6.828 -6.995 -3.708 35 HB1 ALA 5 HB1 ALA 5 5.097 -6.496 -2.011 36 HB2 ALA 5 HB2 ALA 5 3.877 -6.542 -3.285 37 HB3 ALA 5 HB3 ALA 5 4.796 -7.995 -2.890 38 H ILE 6 H ILE 6 4.719 -5.247 -5.835 39 HA ILE 6 HA ILE 6 4.068 -7.514 -7.488 40 HB ILE 6 HB ILE 6 3.727 -4.559 -8.015 41 HG12 ILE 6 HG12 ILE 6 1.462 -6.415 -7.445 42 HG13 ILE 6 HG13 ILE 6 2.461 -5.893 -6.093 43 HG21 ILE 6 HG21 ILE 6 3.613 -5.420 -10.134 44 HG22 ILE 6 HG22 ILE 6 3.036 -6.992 -9.583 45 HG23 ILE 6 HG23 ILE 6 1.936 -5.614 -9.626 46 HD11 ILE 6 HD11 ILE 6 0.377 -4.490 -7.468 47 HD12 ILE 6 HD12 ILE 6 1.223 -4.068 -5.979 48 HD13 ILE 6 HD13 ILE 6 1.883 -3.575 -7.538 49 H THR 7 H THR 7 5.828 -4.491 -8.200 50 HA THR 7 HA THR 7 6.955 -5.254 -10.599 51 HB THR 7 HB THR 7 7.050 -2.953 -9.637 52 HG1 THR 7 HG1 THR 7 8.564 -2.672 -11.079 53 HG21 THR 7 HG21 THR 7 8.923 -2.394 -8.140 54 HG22 THR 7 HG22 THR 7 9.321 -4.108 -8.013 55 HG23 THR 7 HG23 THR 7 7.787 -3.509 -7.382 56 H LEU 8 H LEU 8 7.932 -6.082 -7.351 57 HA LEU 8 HA LEU 8 10.498 -7.122 -8.098 58 HB2 LEU 8 HB2 LEU 8 9.960 -6.252 -5.838 59 HB3 LEU 8 HB3 LEU 8 8.894 -7.635 -5.598 60 HG LEU 8 HG LEU 8 11.767 -8.113 -6.248 61 HD11 LEU 8 HD11 LEU 8 11.222 -6.400 -4.239 62 HD12 LEU 8 HD12 LEU 8 12.581 -7.524 -4.235 63 HD13 LEU 8 HD13 LEU 8 11.090 -7.941 -3.390 64 HD21 LEU 8 HD21 LEU 8 9.494 -9.556 -5.005 65 HD22 LEU 8 HD22 LEU 8 11.114 -9.919 -4.411 66 HD23 LEU 8 HD23 LEU 8 10.733 -10.134 -6.120 67 H GLY 9 H GLY 9 7.495 -8.675 -6.943 68 HA2 GLY 9 HA2 GLY 9 8.241 -11.315 -7.317 69 HA3 GLY 9 HA3 GLY 9 6.587 -10.729 -7.423 70 H ILE 10 H ILE 10 6.850 -9.074 -9.680 71 HA ILE 10 HA ILE 10 6.639 -11.031 -11.746 72 HB ILE 10 HB ILE 10 6.668 -8.018 -11.960 73 HG12 ILE 10 HG12 ILE 10 4.844 -8.825 -10.548 74 HG13 ILE 10 HG13 ILE 10 4.214 -8.238 -12.083 75 HG21 ILE 10 HG21 ILE 10 5.200 -8.945 -14.059 76 HG22 ILE 10 HG22 ILE 10 6.893 -8.462 -14.145 77 HG23 ILE 10 HG23 ILE 10 6.471 -10.162 -13.943 78 HD11 ILE 10 HD11 ILE 10 4.139 -10.598 -12.868 79 HD12 ILE 10 HD12 ILE 10 4.581 -11.097 -11.236 80 HD13 ILE 10 HD13 ILE 10 3.065 -10.242 -11.516 81 H PHE 11 H PHE 11 9.161 -8.961 -10.595 82 HA PHE 11 HA PHE 11 10.756 -9.174 -12.995 83 HB2 PHE 11 HB2 PHE 11 10.862 -7.152 -11.587 84 HB3 PHE 11 HB3 PHE 11 11.490 -8.119 -10.256 85 HD1 PHE 11 HD1 PHE 11 13.772 -8.369 -9.992 86 HD2 PHE 11 HD2 PHE 11 12.232 -7.171 -13.775 87 HE1 PHE 11 HE1 PHE 11 16.065 -8.000 -10.805 88 HE2 PHE 11 HE2 PHE 11 14.522 -6.801 -14.595 89 HZ PHE 11 HZ PHE 11 16.442 -7.216 -13.110 90 H ALA 12 H ALA 12 10.387 -10.862 -9.996 91 HA ALA 12 HA ALA 12 12.899 -12.154 -9.904 92 HB1 ALA 12 HB1 ALA 12 12.086 -12.791 -7.943 93 HB2 ALA 12 HB2 ALA 12 10.498 -12.168 -8.390 94 HB3 ALA 12 HB3 ALA 12 10.925 -13.838 -8.760 95 H THR 13 H THR 13 9.765 -13.138 -11.255 96 HA THR 13 HA THR 13 10.445 -15.708 -12.072 97 HB THR 13 HB THR 13 8.663 -14.029 -13.795 98 HG1 THR 13 HG1 THR 13 7.052 -14.130 -12.239 99 HG21 THR 13 HG21 THR 13 9.004 -16.417 -14.301 100 HG22 THR 13 HG22 THR 13 7.332 -16.067 -13.860 101 HG23 THR 13 HG23 THR 13 8.412 -16.830 -12.693 102 H GLY 14 H GLY 14 11.350 -12.640 -13.394 103 HA2 GLY 14 HA2 GLY 14 11.963 -13.434 -16.032 104 HA3 GLY 14 HA3 GLY 14 12.646 -12.049 -15.194 105 H TYR 15 H TYR 15 13.642 -13.895 -13.034 106 HA TYR 15 HA TYR 15 16.187 -14.446 -14.275 107 HB2 TYR 15 HB2 TYR 15 15.128 -14.507 -11.475 108 HB3 TYR 15 HB3 TYR 15 16.634 -15.338 -11.845 109 HD1 TYR 15 HD1 TYR 15 15.167 -12.059 -12.895 110 HD2 TYR 15 HD2 TYR 15 18.445 -14.112 -11.122 111 HE1 TYR 15 HE1 TYR 15 16.383 -9.931 -12.692 112 HE2 TYR 15 HE2 TYR 15 19.670 -11.990 -10.913 113 HH TYR 15 HH TYR 15 19.692 -9.768 -11.959 114 H GLY 16 H GLY 16 14.200 -16.476 -12.116 115 HA2 GLY 16 HA2 GLY 16 13.393 -18.591 -13.348 116 HA3 GLY 16 HA3 GLY 16 15.109 -18.819 -13.649 117 H MET 17 H MET 17 14.766 -20.875 -12.535 118 HA MET 17 HA MET 17 14.217 -20.795 -9.700 119 HB2 MET 17 HB2 MET 17 13.514 -22.684 -11.192 120 HB3 MET 17 HB3 MET 17 15.210 -23.119 -11.356 121 HG2 MET 17 HG2 MET 17 14.372 -24.548 -9.713 122 HG3 MET 17 HG3 MET 17 15.255 -23.305 -8.829 123 HE1 MET 17 HE1 MET 17 13.051 -21.139 -7.195 124 HE2 MET 17 HE2 MET 17 13.483 -22.556 -6.239 125 HE3 MET 17 HE3 MET 17 14.631 -21.896 -7.404 126 H GLY 18 H GLY 18 16.990 -21.968 -11.628 127 HA2 GLY 18 HA2 GLY 18 18.714 -21.805 -9.304 128 HA3 GLY 18 HA3 GLY 18 19.167 -22.373 -10.904 129 H VAL 19 H VAL 19 17.893 -19.797 -11.973 130 HA VAL 19 HA VAL 19 20.262 -18.335 -12.287 131 HB VAL 19 HB VAL 19 17.456 -17.263 -12.590 132 HG11 VAL 19 HG11 VAL 19 20.138 -16.399 -13.632 133 HG12 VAL 19 HG12 VAL 19 18.627 -15.896 -14.394 134 HG13 VAL 19 HG13 VAL 19 18.958 -15.461 -12.717 135 HG21 VAL 19 HG21 VAL 19 17.220 -18.892 -14.111 136 HG22 VAL 19 HG22 VAL 19 18.309 -17.922 -15.102 137 HG23 VAL 19 HG23 VAL 19 18.947 -19.251 -14.134 138 H GLN 20 H GLN 20 17.340 -17.319 -10.504 139 HA GLN 20 HA GLN 20 18.605 -15.159 -9.206 140 HB2 GLN 20 HB2 GLN 20 16.608 -15.143 -7.744 141 HB3 GLN 20 HB3 GLN 20 16.198 -15.219 -9.453 142 HG2 GLN 20 HG2 GLN 20 14.755 -16.759 -8.573 143 HG3 GLN 20 HG3 GLN 20 16.111 -17.785 -9.037 144 HE21 GLN 20 HE21 GLN 20 15.516 -19.354 -7.534 145 HE22 GLN 20 HE22 GLN 20 15.779 -19.145 -5.840 146 H LYS 21 H LYS 21 18.443 -18.543 -8.502 147 HA LYS 21 HA LYS 21 19.030 -18.430 -5.735 148 HB2 LYS 21 HB2 LYS 21 18.211 -20.413 -7.244 149 HB3 LYS 21 HB3 LYS 21 19.931 -20.707 -7.459 150 HG2 LYS 21 HG2 LYS 21 20.157 -20.820 -4.985 151 HG3 LYS 21 HG3 LYS 21 18.400 -20.698 -4.868 152 HD2 LYS 21 HD2 LYS 21 19.898 -22.856 -6.354 153 HD3 LYS 21 HD3 LYS 21 19.203 -23.029 -4.740 154 HE2 LYS 21 HE2 LYS 21 17.001 -22.278 -5.886 155 HE3 LYS 21 HE3 LYS 21 17.820 -22.733 -7.380 156 HZ1 LYS 21 HZ1 LYS 21 18.148 -24.777 -5.472 157 HZ2 LYS 21 HZ2 LYS 21 17.368 -24.847 -6.971 158 HZ3 LYS 21 HZ3 LYS 21 16.503 -24.399 -5.587 159 H ALA 22 H ALA 22 20.974 -18.146 -8.592 160 HA ALA 22 HA ALA 22 23.488 -18.859 -7.698 161 HB1 ALA 22 HB1 ALA 22 22.789 -18.096 -10.018 162 HB2 ALA 22 HB2 ALA 22 23.013 -16.449 -9.428 163 HB3 ALA 22 HB3 ALA 22 24.375 -17.569 -9.454 164 H ILE 23 H ILE 23 21.742 -15.824 -7.207 165 HA ILE 23 HA ILE 23 23.890 -14.473 -5.923 166 HB ILE 23 HB ILE 23 20.933 -13.907 -5.687 167 HG12 ILE 23 HG12 ILE 23 22.959 -12.747 -7.612 168 HG13 ILE 23 HG13 ILE 23 21.744 -13.948 -8.035 169 HG21 ILE 23 HG21 ILE 23 21.667 -11.626 -5.141 170 HG22 ILE 23 HG22 ILE 23 22.240 -12.808 -3.966 171 HG23 ILE 23 HG23 ILE 23 23.344 -12.169 -5.183 172 HD11 ILE 23 HD11 ILE 23 20.303 -11.902 -6.847 173 HD12 ILE 23 HD12 ILE 23 21.514 -11.083 -7.835 174 HD13 ILE 23 HD13 ILE 23 20.422 -12.257 -8.570 175 H ASN 24 H ASN 24 21.470 -16.714 -4.862 176 HA ASN 24 HA ASN 24 21.769 -16.088 -2.060 177 HB2 ASN 24 HB2 ASN 24 20.355 -18.354 -3.481 178 HB3 ASN 24 HB3 ASN 24 20.326 -18.107 -1.737 179 HD21 ASN 24 HD21 ASN 24 19.573 -16.535 -4.807 180 HD22 ASN 24 HD22 ASN 24 18.244 -15.607 -4.209 181 H ASP 25 H ASP 25 22.956 -18.502 -4.324 182 HA ASP 25 HA ASP 25 24.069 -20.331 -2.552 183 HB2 ASP 25 HB2 ASP 25 24.155 -19.840 -5.345 184 HB3 ASP 25 HB3 ASP 25 25.820 -20.018 -4.797 185 H ARG 26 H ARG 26 25.125 -17.148 -3.433 186 HA ARG 26 HA ARG 26 27.739 -17.541 -2.193 187 HB2 ARG 26 HB2 ARG 26 26.544 -15.169 -3.636 188 HB3 ARG 26 HB3 ARG 26 28.165 -15.205 -2.955 189 HG2 ARG 26 HG2 ARG 26 28.645 -17.164 -4.444 190 HG3 ARG 26 HG3 ARG 26 27.090 -16.860 -5.222 191 HD2 ARG 26 HD2 ARG 26 28.032 -14.423 -5.440 192 HD3 ARG 26 HD3 ARG 26 29.588 -15.231 -5.258 193 HE ARG 26 HE ARG 26 29.355 -16.087 -7.370 194 HH11 ARG 26 HH11 ARG 26 26.286 -14.852 -6.284 195 HH12 ARG 26 HH12 ARG 26 25.519 -15.036 -7.827 196 HH21 ARG 26 HH21 ARG 26 28.356 -16.333 -9.406 197 HH22 ARG 26 HH22 ARG 26 26.697 -15.879 -9.602 198 H ARG 27 H ARG 27 24.859 -15.490 -1.835 199 HA ARG 27 HA ARG 27 25.364 -15.322 1.025 200 HB2 ARG 27 HB2 ARG 27 25.217 -12.907 -0.781 201 HB3 ARG 27 HB3 ARG 27 24.979 -12.823 0.960 202 HG2 ARG 27 HG2 ARG 27 27.288 -13.987 1.085 203 HG3 ARG 27 HG3 ARG 27 27.465 -13.429 -0.580 204 HD2 ARG 27 HD2 ARG 27 26.708 -11.601 1.686 205 HD3 ARG 27 HD3 ARG 27 28.381 -11.903 1.220 206 HE ARG 27 HE ARG 27 27.047 -11.155 -1.083 207 HH11 ARG 27 HH11 ARG 27 27.786 -9.762 2.020 208 HH12 ARG 27 HH12 ARG 27 27.824 -8.134 1.427 209 HH21 ARG 27 HH21 ARG 27 27.094 -9.017 -1.877 210 HH22 ARG 27 HH22 ARG 27 27.429 -7.712 -0.790 211 H LYS 28 H LYS 28 23.456 -16.754 0.766 212 HA LYS 28 HA LYS 28 20.992 -15.844 -0.229 213 HB2 LYS 28 HB2 LYS 28 20.010 -17.648 1.195 214 HB3 LYS 28 HB3 LYS 28 21.323 -18.189 0.157 215 HG2 LYS 28 HG2 LYS 28 22.196 -17.335 2.810 216 HG3 LYS 28 HG3 LYS 28 21.092 -18.713 2.823 217 HD2 LYS 28 HD2 LYS 28 22.667 -19.577 0.903 218 HD3 LYS 28 HD3 LYS 28 23.823 -18.470 1.646 219 HE2 LYS 28 HE2 LYS 28 22.381 -20.752 2.990 220 HE3 LYS 28 HE3 LYS 28 24.094 -20.680 2.583 221 HZ1 LYS 28 HZ1 LYS 28 24.353 -19.913 4.643 222 HZ2 LYS 28 HZ2 LYS 28 22.707 -19.583 4.842 223 HZ3 LYS 28 HZ3 LYS 28 23.710 -18.453 4.081 224 H LYS 29 H LYS 29 22.628 -15.287 2.784 225 HA LYS 29 HA LYS 29 20.240 -14.024 3.923 226 HB2 LYS 29 HB2 LYS 29 21.923 -15.700 5.133 227 HB3 LYS 29 HB3 LYS 29 22.793 -14.204 5.446 228 HG2 LYS 29 HG2 LYS 29 21.505 -14.135 7.279 229 HG3 LYS 29 HG3 LYS 29 20.297 -13.477 6.173 230 HD2 LYS 29 HD2 LYS 29 20.573 -16.429 6.670 231 HD3 LYS 29 HD3 LYS 29 19.570 -15.396 7.691 232 HE2 LYS 29 HE2 LYS 29 17.987 -16.010 6.185 233 HE3 LYS 29 HE3 LYS 29 18.651 -14.632 5.308 234 HZ1 LYS 29 HZ1 LYS 29 18.806 -16.148 3.670 235 HZ2 LYS 29 HZ2 LYS 29 18.846 -17.471 4.723 236 HZ3 LYS 29 HZ3 LYS 29 20.249 -16.567 4.447 Start of MODEL 6 1 H1 SER 1 H SER 1 5.122 2.627 -3.118 2 HA SER 1 HA SER 1 2.380 2.703 -2.133 3 HB2 SER 1 HB2 SER 1 1.744 2.917 -4.484 4 HB3 SER 1 HB3 SER 1 3.005 4.084 -4.089 5 HG SER 1 HG SER 1 3.959 3.233 -5.762 6 H ALA 2 H ALA 2 0.866 1.196 -3.556 7 HA ALA 2 HA ALA 2 1.387 -1.450 -2.711 8 HB1 ALA 2 HB1 ALA 2 -0.875 -0.415 -3.051 9 HB2 ALA 2 HB2 ALA 2 -0.631 -0.623 -4.786 10 HB3 ALA 2 HB3 ALA 2 -0.680 -2.032 -3.727 11 H ILE 3 H ILE 3 1.885 0.235 -5.741 12 HA ILE 3 HA ILE 3 2.252 -1.953 -7.442 13 HB ILE 3 HB ILE 3 3.669 0.712 -7.575 14 HG12 ILE 3 HG12 ILE 3 1.659 0.786 -9.429 15 HG13 ILE 3 HG13 ILE 3 0.900 -0.121 -8.126 16 HG21 ILE 3 HG21 ILE 3 3.931 0.249 -9.937 17 HG22 ILE 3 HG22 ILE 3 4.658 -1.045 -8.987 18 HG23 ILE 3 HG23 ILE 3 3.089 -1.290 -9.754 19 HD11 ILE 3 HD11 ILE 3 2.297 2.197 -7.125 20 HD12 ILE 3 HD12 ILE 3 1.096 2.627 -8.344 21 HD13 ILE 3 HD13 ILE 3 0.615 1.710 -6.916 22 H LEU 4 H LEU 4 4.447 -0.391 -5.185 23 HA LEU 4 HA LEU 4 6.874 -1.440 -5.999 24 HB2 LEU 4 HB2 LEU 4 6.385 0.223 -4.138 25 HB3 LEU 4 HB3 LEU 4 6.070 -1.176 -3.115 26 HG LEU 4 HG LEU 4 8.690 -0.897 -4.539 27 HD11 LEU 4 HD11 LEU 4 7.903 0.402 -1.938 28 HD12 LEU 4 HD12 LEU 4 8.459 1.203 -3.407 29 HD13 LEU 4 HD13 LEU 4 9.566 0.186 -2.485 30 HD21 LEU 4 HD21 LEU 4 8.865 -2.899 -3.553 31 HD22 LEU 4 HD22 LEU 4 7.503 -2.594 -2.474 32 HD23 LEU 4 HD23 LEU 4 9.106 -1.980 -2.067 33 H ALA 5 H ALA 5 4.259 -2.969 -4.248 34 HA ALA 5 HA ALA 5 5.792 -5.321 -3.589 35 HB1 ALA 5 HB1 ALA 5 3.826 -4.361 -2.265 36 HB2 ALA 5 HB2 ALA 5 2.800 -5.120 -3.483 37 HB3 ALA 5 HB3 ALA 5 3.879 -6.109 -2.498 38 H ILE 6 H ILE 6 3.768 -4.246 -6.189 39 HA ILE 6 HA ILE 6 3.290 -6.879 -7.257 40 HB ILE 6 HB ILE 6 2.874 -4.164 -8.513 41 HG12 ILE 6 HG12 ILE 6 0.641 -5.924 -7.621 42 HG13 ILE 6 HG13 ILE 6 1.547 -5.062 -6.383 43 HG21 ILE 6 HG21 ILE 6 1.186 -6.129 -9.638 44 HG22 ILE 6 HG22 ILE 6 2.480 -5.224 -10.421 45 HG23 ILE 6 HG23 ILE 6 2.827 -6.775 -9.655 46 HD11 ILE 6 HD11 ILE 6 0.268 -3.302 -6.764 47 HD12 ILE 6 HD12 ILE 6 0.978 -3.179 -8.374 48 HD13 ILE 6 HD13 ILE 6 -0.502 -4.106 -8.132 49 H THR 7 H THR 7 4.979 -4.039 -8.607 50 HA THR 7 HA THR 7 6.271 -5.308 -10.687 51 HB THR 7 HB THR 7 6.228 -2.839 -10.314 52 HG1 THR 7 HG1 THR 7 7.927 -2.701 -11.595 53 HG21 THR 7 HG21 THR 7 7.980 -1.840 -8.911 54 HG22 THR 7 HG22 THR 7 8.453 -3.448 -8.363 55 HG23 THR 7 HG23 THR 7 6.861 -2.810 -7.955 56 H LEU 8 H LEU 8 7.086 -5.272 -7.292 57 HA LEU 8 HA LEU 8 9.728 -6.329 -7.630 58 HB2 LEU 8 HB2 LEU 8 9.023 -4.982 -5.676 59 HB3 LEU 8 HB3 LEU 8 7.980 -6.311 -5.174 60 HG LEU 8 HG LEU 8 10.876 -6.877 -5.536 61 HD11 LEU 8 HD11 LEU 8 9.940 -5.720 -2.947 62 HD12 LEU 8 HD12 LEU 8 10.503 -4.659 -4.237 63 HD13 LEU 8 HD13 LEU 8 11.579 -5.889 -3.575 64 HD21 LEU 8 HD21 LEU 8 8.616 -7.843 -3.827 65 HD22 LEU 8 HD22 LEU 8 10.290 -8.171 -3.378 66 HD23 LEU 8 HD23 LEU 8 9.658 -8.754 -4.919 67 H GLY 9 H GLY 9 6.718 -7.723 -6.302 68 HA2 GLY 9 HA2 GLY 9 7.598 -10.336 -6.006 69 HA3 GLY 9 HA3 GLY 9 5.929 -9.879 -6.314 70 H ILE 10 H ILE 10 6.245 -8.778 -8.883 71 HA ILE 10 HA ILE 10 6.210 -11.166 -10.443 72 HB ILE 10 HB ILE 10 6.159 -8.286 -11.354 73 HG12 ILE 10 HG12 ILE 10 4.287 -8.816 -9.875 74 HG13 ILE 10 HG13 ILE 10 3.721 -8.633 -11.532 75 HG21 ILE 10 HG21 ILE 10 5.118 -9.252 -13.406 76 HG22 ILE 10 HG22 ILE 10 6.812 -9.683 -13.179 77 HG23 ILE 10 HG23 ILE 10 5.547 -10.853 -12.805 78 HD11 ILE 10 HD11 ILE 10 3.730 -11.097 -11.752 79 HD12 ILE 10 HD12 ILE 10 4.155 -11.208 -10.044 80 HD13 ILE 10 HD13 ILE 10 2.615 -10.497 -10.525 81 H PHE 11 H PHE 11 8.603 -8.782 -9.695 82 HA PHE 11 HA PHE 11 10.329 -9.477 -11.906 83 HB2 PHE 11 HB2 PHE 11 10.295 -7.182 -10.997 84 HB3 PHE 11 HB3 PHE 11 10.891 -7.792 -9.457 85 HD1 PHE 11 HD1 PHE 11 13.175 -8.000 -9.069 86 HD2 PHE 11 HD2 PHE 11 11.758 -7.520 -13.054 87 HE1 PHE 11 HE1 PHE 11 15.490 -7.729 -9.856 88 HE2 PHE 11 HE2 PHE 11 14.071 -7.249 -13.848 89 HZ PHE 11 HZ PHE 11 15.941 -7.354 -12.248 90 H ALA 12 H ALA 12 9.854 -10.438 -8.613 91 HA ALA 12 HA ALA 12 12.387 -11.557 -8.088 92 HB1 ALA 12 HB1 ALA 12 11.457 -11.803 -6.092 93 HB2 ALA 12 HB2 ALA 12 9.885 -11.369 -6.765 94 HB3 ALA 12 HB3 ALA 12 10.395 -13.057 -6.734 95 H THR 13 H THR 13 9.358 -13.284 -8.859 96 HA THR 13 HA THR 13 10.551 -15.765 -9.344 97 HB THR 13 HB THR 13 8.020 -14.774 -10.662 98 HG1 THR 13 HG1 THR 13 8.310 -15.997 -8.102 99 HG21 THR 13 HG21 THR 13 7.368 -17.145 -10.531 100 HG22 THR 13 HG22 THR 13 8.948 -17.531 -9.849 101 HG23 THR 13 HG23 THR 13 8.825 -16.916 -11.497 102 H GLY 14 H GLY 14 10.292 -12.942 -11.339 103 HA2 GLY 14 HA2 GLY 14 10.475 -13.968 -13.899 104 HA3 GLY 14 HA3 GLY 14 11.208 -12.455 -13.388 105 H TYR 15 H TYR 15 12.979 -13.738 -11.455 106 HA TYR 15 HA TYR 15 15.229 -14.108 -13.060 107 HB2 TYR 15 HB2 TYR 15 14.614 -14.764 -10.196 108 HB3 TYR 15 HB3 TYR 15 16.154 -15.236 -10.905 109 HD1 TYR 15 HD1 TYR 15 17.127 -13.117 -12.429 110 HD2 TYR 15 HD2 TYR 15 14.764 -12.873 -8.899 111 HE1 TYR 15 HE1 TYR 15 18.021 -10.868 -11.993 112 HE2 TYR 15 HE2 TYR 15 15.651 -10.622 -8.454 113 HH TYR 15 HH TYR 15 17.661 -9.290 -9.031 114 H GLY 16 H GLY 16 13.899 -16.673 -10.978 115 HA2 GLY 16 HA2 GLY 16 13.101 -18.682 -12.381 116 HA3 GLY 16 HA3 GLY 16 14.738 -18.624 -13.018 117 H MET 17 H MET 17 14.829 -20.851 -12.214 118 HA MET 17 HA MET 17 14.857 -21.248 -9.354 119 HB2 MET 17 HB2 MET 17 14.063 -22.994 -10.944 120 HB3 MET 17 HB3 MET 17 15.707 -23.144 -11.549 121 HG2 MET 17 HG2 MET 17 16.486 -24.045 -9.529 122 HG3 MET 17 HG3 MET 17 15.036 -23.551 -8.657 123 HE1 MET 17 HE1 MET 17 16.147 -25.922 -8.097 124 HE2 MET 17 HE2 MET 17 14.678 -26.889 -7.967 125 HE3 MET 17 HE3 MET 17 15.949 -27.363 -9.095 126 H GLY 18 H GLY 18 17.296 -21.748 -11.920 127 HA2 GLY 18 HA2 GLY 18 19.424 -21.686 -9.952 128 HA3 GLY 18 HA3 GLY 18 19.605 -21.953 -11.680 129 H VAL 19 H VAL 19 17.879 -19.448 -12.057 130 HA VAL 19 HA VAL 19 19.959 -17.648 -12.563 131 HB VAL 19 HB VAL 19 17.041 -16.988 -12.142 132 HG11 VAL 19 HG11 VAL 19 19.324 -15.488 -13.394 133 HG12 VAL 19 HG12 VAL 19 17.638 -15.122 -13.768 134 HG13 VAL 19 HG13 VAL 19 18.231 -14.961 -12.114 135 HG21 VAL 19 HG21 VAL 19 16.669 -18.197 -13.973 136 HG22 VAL 19 HG22 VAL 19 17.627 -17.018 -14.868 137 HG23 VAL 19 HG23 VAL 19 18.395 -18.467 -14.219 138 H GLN 20 H GLN 20 17.407 -17.307 -10.089 139 HA GLN 20 HA GLN 20 18.765 -15.235 -8.708 140 HB2 GLN 20 HB2 GLN 20 17.056 -15.555 -6.969 141 HB3 GLN 20 HB3 GLN 20 16.345 -15.473 -8.575 142 HG2 GLN 20 HG2 GLN 20 15.191 -17.216 -7.630 143 HG3 GLN 20 HG3 GLN 20 16.478 -18.058 -8.491 144 HE21 GLN 20 HE21 GLN 20 16.744 -19.826 -7.272 145 HE22 GLN 20 HE22 GLN 20 17.165 -19.817 -5.597 146 H LYS 21 H LYS 21 18.875 -18.694 -8.546 147 HA LYS 21 HA LYS 21 19.947 -18.961 -5.940 148 HB2 LYS 21 HB2 LYS 21 18.952 -20.852 -7.114 149 HB3 LYS 21 HB3 LYS 21 20.197 -20.766 -8.353 150 HG2 LYS 21 HG2 LYS 21 21.807 -21.675 -6.997 151 HG3 LYS 21 HG3 LYS 21 21.012 -21.142 -5.514 152 HD2 LYS 21 HD2 LYS 21 20.837 -23.554 -5.746 153 HD3 LYS 21 HD3 LYS 21 19.243 -22.809 -5.883 154 HE2 LYS 21 HE2 LYS 21 19.072 -23.270 -8.126 155 HE3 LYS 21 HE3 LYS 21 20.819 -23.290 -8.365 156 HZ1 LYS 21 HZ1 LYS 21 19.766 -25.365 -6.632 157 HZ2 LYS 21 HZ2 LYS 21 20.953 -25.455 -7.834 158 HZ3 LYS 21 HZ3 LYS 21 19.315 -25.484 -8.258 159 H ALA 22 H ALA 22 21.327 -18.088 -8.994 160 HA ALA 22 HA ALA 22 23.987 -18.758 -8.696 161 HB1 ALA 22 HB1 ALA 22 22.889 -17.685 -10.692 162 HB2 ALA 22 HB2 ALA 22 23.056 -16.141 -9.854 163 HB3 ALA 22 HB3 ALA 22 24.492 -17.072 -10.283 164 H ILE 23 H ILE 23 22.256 -15.971 -7.372 165 HA ILE 23 HA ILE 23 24.595 -14.803 -6.201 166 HB ILE 23 HB ILE 23 21.722 -14.246 -5.469 167 HG12 ILE 23 HG12 ILE 23 22.021 -14.016 -7.891 168 HG13 ILE 23 HG13 ILE 23 21.806 -12.441 -7.136 169 HG21 ILE 23 HG21 ILE 23 23.232 -13.308 -3.881 170 HG22 ILE 23 HG22 ILE 23 24.276 -12.683 -5.157 171 HG23 ILE 23 HG23 ILE 23 22.670 -11.996 -4.917 172 HD11 ILE 23 HD11 ILE 23 24.422 -13.642 -8.008 173 HD12 ILE 23 HD12 ILE 23 23.529 -12.366 -8.835 174 HD13 ILE 23 HD13 ILE 23 24.217 -12.069 -7.239 175 H ASN 24 H ASN 24 22.288 -17.192 -5.245 176 HA ASN 24 HA ASN 24 22.850 -16.996 -2.425 177 HB2 ASN 24 HB2 ASN 24 21.298 -18.977 -4.093 178 HB3 ASN 24 HB3 ASN 24 21.529 -19.175 -2.358 179 HD21 ASN 24 HD21 ASN 24 20.496 -16.719 -4.699 180 HD22 ASN 24 HD22 ASN 24 19.203 -16.100 -3.735 181 H ASP 25 H ASP 25 24.048 -18.787 -5.154 182 HA ASP 25 HA ASP 25 25.239 -20.974 -3.962 183 HB2 ASP 25 HB2 ASP 25 25.201 -20.687 -6.375 184 HB3 ASP 25 HB3 ASP 25 26.270 -19.292 -6.255 185 H ARG 26 H ARG 26 26.267 -17.628 -3.972 186 HA ARG 26 HA ARG 26 28.741 -18.335 -2.571 187 HB2 ARG 26 HB2 ARG 26 27.785 -15.732 -3.771 188 HB3 ARG 26 HB3 ARG 26 29.289 -15.906 -2.876 189 HG2 ARG 26 HG2 ARG 26 29.980 -17.634 -4.553 190 HG3 ARG 26 HG3 ARG 26 28.555 -17.188 -5.493 191 HD2 ARG 26 HD2 ARG 26 29.398 -14.831 -5.487 192 HD3 ARG 26 HD3 ARG 26 30.883 -15.427 -4.747 193 HE ARG 26 HE ARG 26 30.571 -16.955 -6.989 194 HH11 ARG 26 HH11 ARG 26 30.758 -13.540 -6.335 195 HH12 ARG 26 HH12 ARG 26 31.472 -13.154 -7.866 196 HH21 ARG 26 HH21 ARG 26 31.510 -16.458 -9.008 197 HH22 ARG 26 HH22 ARG 26 31.898 -14.814 -9.385 198 H ARG 27 H ARG 27 25.828 -16.351 -2.205 199 HA ARG 27 HA ARG 27 26.187 -16.478 0.700 200 HB2 ARG 27 HB2 ARG 27 25.840 -13.992 -0.953 201 HB3 ARG 27 HB3 ARG 27 25.301 -14.045 0.720 202 HG2 ARG 27 HG2 ARG 27 27.727 -14.893 1.174 203 HG3 ARG 27 HG3 ARG 27 28.066 -14.137 -0.385 204 HD2 ARG 27 HD2 ARG 27 26.859 -12.085 0.592 205 HD3 ARG 27 HD3 ARG 27 27.089 -12.873 2.153 206 HE ARG 27 HE ARG 27 29.067 -11.518 0.612 207 HH11 ARG 27 HH11 ARG 27 28.571 -14.147 2.840 208 HH12 ARG 27 HH12 ARG 27 30.194 -14.112 3.446 209 HH21 ARG 27 HH21 ARG 27 31.207 -11.463 1.401 210 HH22 ARG 27 HH22 ARG 27 31.692 -12.584 2.627 211 H LYS 28 H LYS 28 24.536 -18.161 0.277 212 HA LYS 28 HA LYS 28 21.971 -17.537 -0.712 213 HB2 LYS 28 HB2 LYS 28 21.265 -19.630 0.420 214 HB3 LYS 28 HB3 LYS 28 22.704 -19.834 -0.570 215 HG2 LYS 28 HG2 LYS 28 23.424 -20.937 1.260 216 HG3 LYS 28 HG3 LYS 28 23.877 -19.309 1.770 217 HD2 LYS 28 HD2 LYS 28 22.729 -19.966 3.628 218 HD3 LYS 28 HD3 LYS 28 21.385 -19.313 2.686 219 HE2 LYS 28 HE2 LYS 28 20.882 -21.571 1.866 220 HE3 LYS 28 HE3 LYS 28 22.212 -22.212 2.830 221 HZ1 LYS 28 HZ1 LYS 28 19.589 -21.247 3.689 222 HZ2 LYS 28 HZ2 LYS 28 20.896 -20.992 4.733 223 HZ3 LYS 28 HZ3 LYS 28 20.492 -22.563 4.250 224 H LYS 29 H LYS 29 20.098 -16.902 0.283 225 HA LYS 29 HA LYS 29 20.201 -16.305 3.154 226 HB2 LYS 29 HB2 LYS 29 20.609 -14.304 1.457 227 HB3 LYS 29 HB3 LYS 29 18.854 -14.344 1.356 228 HG2 LYS 29 HG2 LYS 29 19.029 -12.889 3.067 229 HG3 LYS 29 HG3 LYS 29 19.126 -14.376 4.015 230 HD2 LYS 29 HD2 LYS 29 21.652 -13.262 2.912 231 HD3 LYS 29 HD3 LYS 29 20.905 -12.422 4.273 232 HE2 LYS 29 HE2 LYS 29 21.621 -15.352 4.200 233 HE3 LYS 29 HE3 LYS 29 22.558 -14.090 5.000 234 HZ1 LYS 29 HZ1 LYS 29 20.333 -15.518 5.974 235 HZ2 LYS 29 HZ2 LYS 29 19.947 -13.873 5.921 236 HZ3 LYS 29 HZ3 LYS 29 21.306 -14.395 6.783 Start of MODEL 7 1 H1 SER 1 H SER 1 4.406 1.797 -1.437 2 HA SER 1 HA SER 1 1.726 2.290 -2.547 3 HB2 SER 1 HB2 SER 1 4.367 2.336 -4.016 4 HB3 SER 1 HB3 SER 1 2.812 2.192 -4.836 5 HG SER 1 HG SER 1 2.232 4.189 -3.765 6 H ALA 2 H ALA 2 0.633 0.493 -2.980 7 HA ALA 2 HA ALA 2 1.539 -2.059 -2.368 8 HB1 ALA 2 HB1 ALA 2 -0.455 -2.617 -4.097 9 HB2 ALA 2 HB2 ALA 2 -0.712 -2.114 -2.426 10 HB3 ALA 2 HB3 ALA 2 -0.814 -0.930 -3.729 11 H ILE 3 H ILE 3 1.686 -0.279 -5.382 12 HA ILE 3 HA ILE 3 2.185 -2.286 -7.207 13 HB ILE 3 HB ILE 3 3.514 0.425 -7.121 14 HG12 ILE 3 HG12 ILE 3 0.989 -0.454 -8.537 15 HG13 ILE 3 HG13 ILE 3 1.029 0.487 -7.050 16 HG21 ILE 3 HG21 ILE 3 3.795 0.147 -9.528 17 HG22 ILE 3 HG22 ILE 3 4.629 -1.127 -8.641 18 HG23 ILE 3 HG23 ILE 3 3.090 -1.466 -9.431 19 HD11 ILE 3 HD11 ILE 3 0.629 1.868 -9.031 20 HD12 ILE 3 HD12 ILE 3 2.122 2.309 -8.202 21 HD13 ILE 3 HD13 ILE 3 2.185 1.360 -9.687 22 H LEU 4 H LEU 4 4.306 -0.952 -4.768 23 HA LEU 4 HA LEU 4 6.788 -1.770 -5.653 24 HB2 LEU 4 HB2 LEU 4 6.186 -0.453 -3.567 25 HB3 LEU 4 HB3 LEU 4 5.897 -2.009 -2.791 26 HG LEU 4 HG LEU 4 8.542 -1.512 -4.077 27 HD11 LEU 4 HD11 LEU 4 7.587 0.353 -2.340 28 HD12 LEU 4 HD12 LEU 4 9.291 -0.036 -2.570 29 HD13 LEU 4 HD13 LEU 4 8.390 -0.776 -1.248 30 HD21 LEU 4 HD21 LEU 4 8.815 -3.535 -3.188 31 HD22 LEU 4 HD22 LEU 4 7.322 -3.410 -2.258 32 HD23 LEU 4 HD23 LEU 4 8.822 -2.744 -1.612 33 H ALA 5 H ALA 5 4.327 -3.652 -3.943 34 HA ALA 5 HA ALA 5 5.941 -6.021 -3.814 35 HB1 ALA 5 HB1 ALA 5 4.081 -5.394 -2.215 36 HB2 ALA 5 HB2 ALA 5 2.956 -5.895 -3.478 37 HB3 ALA 5 HB3 ALA 5 4.088 -7.061 -2.792 38 H ILE 6 H ILE 6 3.749 -4.626 -6.100 39 HA ILE 6 HA ILE 6 3.191 -7.055 -7.520 40 HB ILE 6 HB ILE 6 2.861 -4.189 -8.417 41 HG12 ILE 6 HG12 ILE 6 0.713 -6.056 -7.423 42 HG13 ILE 6 HG13 ILE 6 1.589 -4.979 -6.341 43 HG21 ILE 6 HG21 ILE 6 2.757 -5.346 -10.395 44 HG22 ILE 6 HG22 ILE 6 2.140 -6.811 -9.632 45 HG23 ILE 6 HG23 ILE 6 1.072 -5.430 -9.881 46 HD11 ILE 6 HD11 ILE 6 -0.534 -4.402 -8.267 47 HD12 ILE 6 HD12 ILE 6 -0.076 -3.560 -6.786 48 HD13 ILE 6 HD13 ILE 6 0.807 -3.257 -8.282 49 H THR 7 H THR 7 4.953 -4.118 -8.528 50 HA THR 7 HA THR 7 6.149 -5.167 -10.791 51 HB THR 7 HB THR 7 6.164 -2.756 -10.146 52 HG1 THR 7 HG1 THR 7 7.635 -2.754 -11.658 53 HG21 THR 7 HG21 THR 7 7.987 -1.954 -8.697 54 HG22 THR 7 HG22 THR 7 8.413 -3.625 -8.326 55 HG23 THR 7 HG23 THR 7 6.852 -2.979 -7.821 56 H LEU 8 H LEU 8 7.054 -5.520 -7.436 57 HA LEU 8 HA LEU 8 9.656 -6.605 -7.990 58 HB2 LEU 8 HB2 LEU 8 8.978 -5.396 -5.885 59 HB3 LEU 8 HB3 LEU 8 8.076 -6.843 -5.440 60 HG LEU 8 HG LEU 8 10.983 -7.093 -6.056 61 HD11 LEU 8 HD11 LEU 8 10.183 -6.472 -3.264 62 HD12 LEU 8 HD12 LEU 8 10.383 -5.133 -4.393 63 HD13 LEU 8 HD13 LEU 8 11.727 -6.231 -4.082 64 HD21 LEU 8 HD21 LEU 8 10.288 -8.559 -3.812 65 HD22 LEU 8 HD22 LEU 8 10.441 -9.169 -5.459 66 HD23 LEU 8 HD23 LEU 8 8.865 -8.661 -4.849 67 H GLY 9 H GLY 9 6.633 -7.995 -6.692 68 HA2 GLY 9 HA2 GLY 9 7.419 -10.652 -6.611 69 HA3 GLY 9 HA3 GLY 9 5.763 -10.113 -6.854 70 H ILE 10 H ILE 10 6.116 -8.817 -9.340 71 HA ILE 10 HA ILE 10 5.983 -11.092 -11.073 72 HB ILE 10 HB ILE 10 5.941 -8.150 -11.757 73 HG12 ILE 10 HG12 ILE 10 4.098 -8.793 -10.280 74 HG13 ILE 10 HG13 ILE 10 3.501 -8.453 -11.900 75 HG21 ILE 10 HG21 ILE 10 4.561 -9.440 -13.722 76 HG22 ILE 10 HG22 ILE 10 6.240 -8.918 -13.840 77 HG23 ILE 10 HG23 ILE 10 5.864 -10.579 -13.385 78 HD11 ILE 10 HD11 ILE 10 3.501 -10.901 -12.334 79 HD12 ILE 10 HD12 ILE 10 3.908 -11.148 -10.636 80 HD13 ILE 10 HD13 ILE 10 2.381 -10.382 -11.074 81 H PHE 11 H PHE 11 8.419 -8.796 -10.200 82 HA PHE 11 HA PHE 11 10.086 -9.328 -12.499 83 HB2 PHE 11 HB2 PHE 11 10.166 -7.117 -11.494 84 HB3 PHE 11 HB3 PHE 11 10.626 -7.807 -9.941 85 HD1 PHE 11 HD1 PHE 11 12.796 -7.329 -9.403 86 HD2 PHE 11 HD2 PHE 11 11.831 -8.220 -13.452 87 HE1 PHE 11 HE1 PHE 11 15.171 -7.115 -10.013 88 HE2 PHE 11 HE2 PHE 11 14.204 -8.009 -14.068 89 HZ PHE 11 HZ PHE 11 15.877 -7.456 -12.347 90 H ALA 12 H ALA 12 9.675 -10.551 -9.286 91 HA ALA 12 HA ALA 12 12.185 -11.705 -8.843 92 HB1 ALA 12 HB1 ALA 12 9.648 -11.722 -7.587 93 HB2 ALA 12 HB2 ALA 12 10.175 -13.398 -7.752 94 HB3 ALA 12 HB3 ALA 12 11.203 -12.227 -6.925 95 H THR 13 H THR 13 9.234 -13.231 -10.147 96 HA THR 13 HA THR 13 10.341 -15.716 -10.735 97 HB THR 13 HB THR 13 8.220 -14.455 -12.460 98 HG1 THR 13 HG1 THR 13 8.054 -15.351 -9.775 99 HG21 THR 13 HG21 THR 13 9.234 -17.145 -11.950 100 HG22 THR 13 HG22 THR 13 8.274 -16.535 -13.298 101 HG23 THR 13 HG23 THR 13 7.482 -17.024 -11.800 102 H GLY 14 H GLY 14 10.655 -12.683 -12.378 103 HA2 GLY 14 HA2 GLY 14 11.255 -13.433 -14.970 104 HA3 GLY 14 HA3 GLY 14 11.977 -12.057 -14.149 105 H TYR 15 H TYR 15 13.181 -13.839 -12.094 106 HA TYR 15 HA TYR 15 15.611 -14.400 -13.542 107 HB2 TYR 15 HB2 TYR 15 14.824 -14.528 -10.640 108 HB3 TYR 15 HB3 TYR 15 16.369 -15.161 -11.199 109 HD1 TYR 15 HD1 TYR 15 17.614 -13.399 -12.867 110 HD2 TYR 15 HD2 TYR 15 14.884 -12.407 -9.758 111 HE1 TYR 15 HE1 TYR 15 18.589 -11.145 -12.738 112 HE2 TYR 15 HE2 TYR 15 15.851 -10.149 -9.622 113 HH TYR 15 HH TYR 15 18.026 -9.042 -10.182 114 H GLY 16 H GLY 16 13.978 -16.417 -11.106 115 HA2 GLY 16 HA2 GLY 16 13.027 -18.566 -12.169 116 HA3 GLY 16 HA3 GLY 16 14.679 -18.770 -12.731 117 H MET 17 H MET 17 14.495 -20.821 -11.535 118 HA MET 17 HA MET 17 14.403 -20.703 -8.658 119 HB2 MET 17 HB2 MET 17 14.973 -22.947 -10.594 120 HB3 MET 17 HB3 MET 17 14.971 -23.156 -8.848 121 HG2 MET 17 HG2 MET 17 12.849 -23.813 -9.350 122 HG3 MET 17 HG3 MET 17 12.586 -22.100 -9.030 123 HE1 MET 17 HE1 MET 17 13.278 -24.805 -11.354 124 HE2 MET 17 HE2 MET 17 11.782 -24.721 -12.285 125 HE3 MET 17 HE3 MET 17 13.281 -24.086 -12.965 126 H GLY 18 H GLY 18 16.887 -21.842 -10.963 127 HA2 GLY 18 HA2 GLY 18 18.934 -21.603 -8.924 128 HA3 GLY 18 HA3 GLY 18 19.157 -22.185 -10.567 129 H VAL 19 H VAL 19 17.676 -19.657 -11.465 130 HA VAL 19 HA VAL 19 19.921 -18.147 -12.166 131 HB VAL 19 HB VAL 19 17.043 -17.237 -12.024 132 HG11 VAL 19 HG11 VAL 19 19.494 -16.037 -13.273 133 HG12 VAL 19 HG12 VAL 19 17.874 -15.662 -13.862 134 HG13 VAL 19 HG13 VAL 19 18.318 -15.281 -12.198 135 HG21 VAL 19 HG21 VAL 19 16.723 -18.689 -13.683 136 HG22 VAL 19 HG22 VAL 19 17.767 -17.668 -14.672 137 HG23 VAL 19 HG23 VAL 19 18.447 -19.041 -13.798 138 H GLN 20 H GLN 20 17.327 -17.174 -9.913 139 HA GLN 20 HA GLN 20 18.821 -15.011 -8.842 140 HB2 GLN 20 HB2 GLN 20 17.027 -14.900 -7.146 141 HB3 GLN 20 HB3 GLN 20 16.397 -14.984 -8.786 142 HG2 GLN 20 HG2 GLN 20 15.026 -16.471 -7.742 143 HG3 GLN 20 HG3 GLN 20 16.308 -17.554 -8.285 144 HE21 GLN 20 HE21 GLN 20 16.205 -19.082 -6.741 145 HE22 GLN 20 HE22 GLN 20 16.479 -18.795 -5.060 146 H LYS 21 H LYS 21 18.605 -18.384 -8.086 147 HA LYS 21 HA LYS 21 19.563 -18.268 -5.421 148 HB2 LYS 21 HB2 LYS 21 18.403 -20.235 -6.310 149 HB3 LYS 21 HB3 LYS 21 19.719 -20.511 -7.444 150 HG2 LYS 21 HG2 LYS 21 21.166 -21.235 -5.791 151 HG3 LYS 21 HG3 LYS 21 20.257 -20.437 -4.505 152 HD2 LYS 21 HD2 LYS 21 19.937 -22.840 -4.391 153 HD3 LYS 21 HD3 LYS 21 18.423 -22.047 -4.831 154 HE2 LYS 21 HE2 LYS 21 18.609 -22.717 -7.082 155 HE3 LYS 21 HE3 LYS 21 20.305 -23.160 -6.893 156 HZ1 LYS 21 HZ1 LYS 21 19.781 -25.137 -5.956 157 HZ2 LYS 21 HZ2 LYS 21 18.375 -24.943 -6.875 158 HZ3 LYS 21 HZ3 LYS 21 18.366 -24.567 -5.225 159 H ALA 22 H ALA 22 21.104 -18.112 -8.519 160 HA ALA 22 HA ALA 22 23.675 -18.966 -7.970 161 HB1 ALA 22 HB1 ALA 22 22.715 -18.193 -10.185 162 HB2 ALA 22 HB2 ALA 22 23.084 -16.550 -9.659 163 HB3 ALA 22 HB3 ALA 22 24.383 -17.729 -9.847 164 H ILE 23 H ILE 23 22.186 -15.831 -7.293 165 HA ILE 23 HA ILE 23 24.572 -14.612 -6.323 166 HB ILE 23 HB ILE 23 21.715 -13.828 -5.736 167 HG12 ILE 23 HG12 ILE 23 23.540 -12.808 -7.921 168 HG13 ILE 23 HG13 ILE 23 22.259 -13.988 -8.175 169 HG21 ILE 23 HG21 ILE 23 23.044 -12.659 -4.224 170 HG22 ILE 23 HG22 ILE 23 24.358 -12.462 -5.384 171 HG23 ILE 23 HG23 ILE 23 22.870 -11.534 -5.571 172 HD11 ILE 23 HD11 ILE 23 20.973 -12.240 -8.645 173 HD12 ILE 23 HD12 ILE 23 20.959 -11.932 -6.908 174 HD13 ILE 23 HD13 ILE 23 22.120 -11.099 -7.943 175 H ASN 24 H ASN 24 22.157 -16.666 -4.930 176 HA ASN 24 HA ASN 24 22.830 -16.020 -2.199 177 HB2 ASN 24 HB2 ASN 24 21.204 -18.348 -3.240 178 HB3 ASN 24 HB3 ASN 24 21.230 -17.732 -1.590 179 HD21 ASN 24 HD21 ASN 24 21.104 -15.026 -2.035 180 HD22 ASN 24 HD22 ASN 24 19.578 -14.631 -2.741 181 H ASP 25 H ASP 25 23.631 -18.489 -4.556 182 HA ASP 25 HA ASP 25 24.762 -20.440 -2.969 183 HB2 ASP 25 HB2 ASP 25 24.480 -20.652 -5.404 184 HB3 ASP 25 HB3 ASP 25 25.766 -19.474 -5.655 185 H ARG 26 H ARG 26 26.016 -17.295 -3.814 186 HA ARG 26 HA ARG 26 28.579 -17.910 -2.534 187 HB2 ARG 26 HB2 ARG 26 27.753 -15.415 -4.026 188 HB3 ARG 26 HB3 ARG 26 29.375 -15.822 -3.484 189 HG2 ARG 26 HG2 ARG 26 29.064 -17.926 -4.974 190 HG3 ARG 26 HG3 ARG 26 27.789 -16.970 -5.735 191 HD2 ARG 26 HD2 ARG 26 29.695 -16.521 -7.014 192 HD3 ARG 26 HD3 ARG 26 29.546 -15.127 -5.946 193 HE ARG 26 HE ARG 26 31.211 -17.028 -4.730 194 HH11 ARG 26 HH11 ARG 26 31.183 -14.837 -7.435 195 HH12 ARG 26 HH12 ARG 26 32.902 -14.619 -7.443 196 HH21 ARG 26 HH21 ARG 26 33.475 -16.749 -4.730 197 HH22 ARG 26 HH22 ARG 26 34.205 -15.707 -5.905 198 H ARG 27 H ARG 27 25.735 -15.873 -2.226 199 HA ARG 27 HA ARG 27 26.372 -15.403 0.562 200 HB2 ARG 27 HB2 ARG 27 26.191 -13.179 -1.463 201 HB3 ARG 27 HB3 ARG 27 25.905 -12.910 0.251 202 HG2 ARG 27 HG2 ARG 27 28.446 -13.985 -0.955 203 HG3 ARG 27 HG3 ARG 27 28.186 -12.333 -0.391 204 HD2 ARG 27 HD2 ARG 27 27.614 -13.367 1.864 205 HD3 ARG 27 HD3 ARG 27 28.286 -14.866 1.225 206 HE ARG 27 HE ARG 27 29.740 -12.521 2.050 207 HH11 ARG 27 HH11 ARG 27 29.802 -15.420 0.124 208 HH12 ARG 27 HH12 ARG 27 31.532 -15.528 0.108 209 HH21 ARG 27 HH21 ARG 27 32.017 -12.652 2.035 210 HH22 ARG 27 HH22 ARG 27 32.790 -13.953 1.196 211 H LYS 28 H LYS 28 24.484 -16.812 0.638 212 HA LYS 28 HA LYS 28 21.988 -16.299 -0.407 213 HB2 LYS 28 HB2 LYS 28 22.603 -17.418 2.334 214 HB3 LYS 28 HB3 LYS 28 21.080 -17.594 1.472 215 HG2 LYS 28 HG2 LYS 28 22.194 -18.880 -0.267 216 HG3 LYS 28 HG3 LYS 28 23.739 -18.677 0.562 217 HD2 LYS 28 HD2 LYS 28 23.229 -20.199 2.171 218 HD3 LYS 28 HD3 LYS 28 21.509 -19.803 2.151 219 HE2 LYS 28 HE2 LYS 28 21.233 -21.028 0.069 220 HE3 LYS 28 HE3 LYS 28 22.961 -21.374 0.023 221 HZ1 LYS 28 HZ1 LYS 28 20.904 -22.465 1.830 222 HZ2 LYS 28 HZ2 LYS 28 22.527 -22.446 2.305 223 HZ3 LYS 28 HZ3 LYS 28 22.064 -23.289 0.914 224 H LYS 29 H LYS 29 23.044 -15.378 2.876 225 HA LYS 29 HA LYS 29 21.135 -13.136 2.748 226 HB2 LYS 29 HB2 LYS 29 20.904 -13.301 5.170 227 HB3 LYS 29 HB3 LYS 29 20.493 -14.831 4.408 228 HG2 LYS 29 HG2 LYS 29 23.285 -14.458 5.336 229 HG3 LYS 29 HG3 LYS 29 22.029 -14.694 6.554 230 HD2 LYS 29 HD2 LYS 29 22.063 -16.530 4.216 231 HD3 LYS 29 HD3 LYS 29 23.315 -16.734 5.444 232 HE2 LYS 29 HE2 LYS 29 20.420 -16.519 6.196 233 HE3 LYS 29 HE3 LYS 29 21.117 -18.057 5.689 234 HZ1 LYS 29 HZ1 LYS 29 22.858 -17.607 7.464 235 HZ2 LYS 29 HZ2 LYS 29 21.313 -18.043 7.997 236 HZ3 LYS 29 HZ3 LYS 29 21.802 -16.424 8.056 Start of MODEL 8 1 H1 SER 1 H SER 1 4.925 3.014 -1.546 2 HA SER 1 HA SER 1 2.276 2.662 -2.579 3 HB2 SER 1 HB2 SER 1 3.413 2.352 -4.752 4 HB3 SER 1 HB3 SER 1 3.990 3.790 -3.911 5 HG SER 1 HG SER 1 5.723 2.576 -4.745 6 H ALA 2 H ALA 2 1.163 0.837 -2.609 7 HA ALA 2 HA ALA 2 2.106 -1.625 -1.704 8 HB1 ALA 2 HB1 ALA 2 -0.265 -1.011 -1.745 9 HB2 ALA 2 HB2 ALA 2 -0.258 -1.114 -3.506 10 HB3 ALA 2 HB3 ALA 2 0.021 -2.561 -2.537 11 H ILE 3 H ILE 3 2.253 -0.178 -4.848 12 HA ILE 3 HA ILE 3 2.498 -2.391 -6.501 13 HB ILE 3 HB ILE 3 3.981 0.231 -6.728 14 HG12 ILE 3 HG12 ILE 3 1.567 0.554 -6.623 15 HG13 ILE 3 HG13 ILE 3 2.141 0.853 -8.260 16 HG21 ILE 3 HG21 ILE 3 4.014 -0.343 -9.167 17 HG22 ILE 3 HG22 ILE 3 5.032 -1.363 -8.151 18 HG23 ILE 3 HG23 ILE 3 3.477 -1.964 -8.726 19 HD11 ILE 3 HD11 ILE 3 0.176 -0.372 -8.522 20 HD12 ILE 3 HD12 ILE 3 1.466 -1.554 -8.747 21 HD13 ILE 3 HD13 ILE 3 0.589 -1.485 -7.218 22 H LEU 4 H LEU 4 4.728 -1.098 -4.181 23 HA LEU 4 HA LEU 4 7.156 -2.073 -5.089 24 HB2 LEU 4 HB2 LEU 4 6.669 -0.633 -3.054 25 HB3 LEU 4 HB3 LEU 4 6.312 -2.135 -2.204 26 HG LEU 4 HG LEU 4 8.666 -2.868 -2.793 27 HD11 LEU 4 HD11 LEU 4 9.899 -1.598 -4.122 28 HD12 LEU 4 HD12 LEU 4 9.799 -0.278 -2.959 29 HD13 LEU 4 HD13 LEU 4 8.590 -0.422 -4.234 30 HD21 LEU 4 HD21 LEU 4 9.590 -1.822 -0.890 31 HD22 LEU 4 HD22 LEU 4 7.860 -1.959 -0.572 32 HD23 LEU 4 HD23 LEU 4 8.547 -0.410 -1.064 33 H ALA 5 H ALA 5 4.478 -3.769 -3.634 34 HA ALA 5 HA ALA 5 5.990 -6.207 -3.240 35 HB1 ALA 5 HB1 ALA 5 4.236 -5.637 -1.658 36 HB2 ALA 5 HB2 ALA 5 3.038 -5.660 -2.953 37 HB3 ALA 5 HB3 ALA 5 3.857 -7.149 -2.482 38 H ILE 6 H ILE 6 4.010 -4.769 -5.681 39 HA ILE 6 HA ILE 6 3.494 -7.258 -7.062 40 HB ILE 6 HB ILE 6 3.010 -4.409 -7.941 41 HG12 ILE 6 HG12 ILE 6 0.786 -6.254 -7.271 42 HG13 ILE 6 HG13 ILE 6 1.749 -5.667 -5.919 43 HG21 ILE 6 HG21 ILE 6 3.088 -5.612 -9.924 44 HG22 ILE 6 HG22 ILE 6 2.386 -7.054 -9.192 45 HG23 ILE 6 HG23 ILE 6 1.374 -5.645 -9.510 46 HD11 ILE 6 HD11 ILE 6 -0.329 -4.352 -7.340 47 HD12 ILE 6 HD12 ILE 6 0.576 -3.799 -5.930 48 HD13 ILE 6 HD13 ILE 6 1.168 -3.445 -7.553 49 H THR 7 H THR 7 5.145 -4.238 -8.010 50 HA THR 7 HA THR 7 6.383 -5.154 -10.295 51 HB THR 7 HB THR 7 6.367 -2.780 -9.499 52 HG1 THR 7 HG1 THR 7 8.018 -2.429 -10.805 53 HG21 THR 7 HG21 THR 7 8.037 -2.004 -7.964 54 HG22 THR 7 HG22 THR 7 8.758 -3.610 -7.856 55 HG23 THR 7 HG23 THR 7 7.155 -3.315 -7.182 56 H LEU 8 H LEU 8 7.266 -5.692 -6.961 57 HA LEU 8 HA LEU 8 9.886 -6.712 -7.554 58 HB2 LEU 8 HB2 LEU 8 9.152 -5.638 -5.384 59 HB3 LEU 8 HB3 LEU 8 8.297 -7.140 -5.035 60 HG LEU 8 HG LEU 8 11.191 -7.327 -5.670 61 HD11 LEU 8 HD11 LEU 8 10.523 -6.750 -2.850 62 HD12 LEU 8 HD12 LEU 8 10.562 -5.377 -3.956 63 HD13 LEU 8 HD13 LEU 8 11.987 -6.398 -3.768 64 HD21 LEU 8 HD21 LEU 8 10.631 -8.816 -3.444 65 HD22 LEU 8 HD22 LEU 8 10.589 -9.406 -5.105 66 HD23 LEU 8 HD23 LEU 8 9.104 -8.863 -4.324 67 H GLY 9 H GLY 9 6.899 -8.228 -6.311 68 HA2 GLY 9 HA2 GLY 9 7.726 -10.871 -6.427 69 HA3 GLY 9 HA3 GLY 9 6.058 -10.345 -6.595 70 H ILE 10 H ILE 10 6.446 -8.840 -9.007 71 HA ILE 10 HA ILE 10 6.279 -11.013 -10.886 72 HB ILE 10 HB ILE 10 6.149 -8.033 -11.363 73 HG12 ILE 10 HG12 ILE 10 4.351 -8.799 -9.906 74 HG13 ILE 10 HG13 ILE 10 3.709 -8.408 -11.497 75 HG21 ILE 10 HG21 ILE 10 4.772 -9.170 -13.396 76 HG22 ILE 10 HG22 ILE 10 6.464 -8.683 -13.492 77 HG23 ILE 10 HG23 ILE 10 6.048 -10.363 -13.151 78 HD11 ILE 10 HD11 ILE 10 3.854 -10.866 -12.023 79 HD12 ILE 10 HD12 ILE 10 4.181 -11.121 -10.309 80 HD13 ILE 10 HD13 ILE 10 2.656 -10.397 -10.817 81 H PHE 11 H PHE 11 8.675 -8.720 -9.901 82 HA PHE 11 HA PHE 11 10.307 -9.047 -12.263 83 HB2 PHE 11 HB2 PHE 11 10.340 -6.911 -11.090 84 HB3 PHE 11 HB3 PHE 11 10.881 -7.704 -9.614 85 HD1 PHE 11 HD1 PHE 11 13.150 -7.994 -9.185 86 HD2 PHE 11 HD2 PHE 11 11.865 -7.007 -13.121 87 HE1 PHE 11 HE1 PHE 11 15.492 -7.658 -9.862 88 HE2 PHE 11 HE2 PHE 11 14.205 -6.670 -13.804 89 HZ PHE 11 HZ PHE 11 16.022 -6.996 -12.174 90 H ALA 12 H ALA 12 9.988 -10.505 -9.139 91 HA ALA 12 HA ALA 12 12.543 -11.628 -8.847 92 HB1 ALA 12 HB1 ALA 12 10.606 -13.415 -7.782 93 HB2 ALA 12 HB2 ALA 12 11.642 -12.271 -6.927 94 HB3 ALA 12 HB3 ALA 12 10.054 -11.764 -7.502 95 H THR 13 H THR 13 9.570 -13.071 -10.188 96 HA THR 13 HA THR 13 10.632 -15.531 -10.924 97 HB THR 13 HB THR 13 8.600 -14.233 -12.695 98 HG1 THR 13 HG1 THR 13 7.353 -13.825 -11.044 99 HG21 THR 13 HG21 THR 13 7.982 -16.350 -13.153 100 HG22 THR 13 HG22 THR 13 8.111 -16.855 -11.468 101 HG23 THR 13 HG23 THR 13 9.554 -16.779 -12.480 102 H GLY 14 H GLY 14 11.018 -12.414 -12.388 103 HA2 GLY 14 HA2 GLY 14 11.629 -13.037 -15.014 104 HA3 GLY 14 HA3 GLY 14 12.358 -11.712 -14.117 105 H TYR 15 H TYR 15 13.522 -13.611 -12.145 106 HA TYR 15 HA TYR 15 15.969 -14.105 -13.578 107 HB2 TYR 15 HB2 TYR 15 15.131 -14.509 -10.709 108 HB3 TYR 15 HB3 TYR 15 16.710 -15.004 -11.307 109 HD1 TYR 15 HD1 TYR 15 15.450 -12.676 -9.332 110 HD2 TYR 15 HD2 TYR 15 17.501 -12.833 -13.056 111 HE1 TYR 15 HE1 TYR 15 16.301 -10.399 -8.953 112 HE2 TYR 15 HE2 TYR 15 18.358 -10.558 -12.687 113 HH TYR 15 HH TYR 15 18.205 -8.717 -11.413 114 H GLY 16 H GLY 16 14.209 -16.274 -11.365 115 HA2 GLY 16 HA2 GLY 16 13.287 -18.328 -12.608 116 HA3 GLY 16 HA3 GLY 16 14.954 -18.510 -13.132 117 H MET 17 H MET 17 14.708 -20.642 -12.102 118 HA MET 17 HA MET 17 14.558 -20.716 -9.218 119 HB2 MET 17 HB2 MET 17 15.159 -22.897 -11.224 120 HB3 MET 17 HB3 MET 17 14.906 -23.149 -9.502 121 HG2 MET 17 HG2 MET 17 12.630 -22.006 -9.901 122 HG3 MET 17 HG3 MET 17 12.932 -22.359 -11.601 123 HE1 MET 17 HE1 MET 17 13.573 -25.235 -8.386 124 HE2 MET 17 HE2 MET 17 13.033 -23.574 -8.142 125 HE3 MET 17 HE3 MET 17 11.861 -24.893 -8.130 126 H GLY 18 H GLY 18 17.017 -21.806 -11.573 127 HA2 GLY 18 HA2 GLY 18 19.049 -21.791 -9.505 128 HA3 GLY 18 HA3 GLY 18 19.266 -22.272 -11.181 129 H VAL 19 H VAL 19 17.903 -19.628 -11.921 130 HA VAL 19 HA VAL 19 20.221 -18.174 -12.497 131 HB VAL 19 HB VAL 19 17.399 -17.110 -12.318 132 HG11 VAL 19 HG11 VAL 19 19.927 -16.047 -13.530 133 HG12 VAL 19 HG12 VAL 19 18.342 -15.553 -14.129 134 HG13 VAL 19 HG13 VAL 19 18.789 -15.240 -12.452 135 HG21 VAL 19 HG21 VAL 19 16.979 -18.520 -13.995 136 HG22 VAL 19 HG22 VAL 19 18.026 -17.498 -14.980 137 HG23 VAL 19 HG23 VAL 19 18.684 -18.928 -14.185 138 H GLN 20 H GLN 20 17.632 -17.235 -10.224 139 HA GLN 20 HA GLN 20 19.210 -15.220 -8.992 140 HB2 GLN 20 HB2 GLN 20 17.384 -15.082 -7.354 141 HB3 GLN 20 HB3 GLN 20 16.776 -15.094 -9.004 142 HG2 GLN 20 HG2 GLN 20 15.329 -16.527 -7.942 143 HG3 GLN 20 HG3 GLN 20 16.512 -17.639 -8.629 144 HE21 GLN 20 HE21 GLN 20 16.449 -19.275 -7.213 145 HE22 GLN 20 HE22 GLN 20 16.795 -19.135 -5.527 146 H LYS 21 H LYS 21 18.790 -18.615 -8.454 147 HA LYS 21 HA LYS 21 19.664 -18.735 -5.767 148 HB2 LYS 21 HB2 LYS 21 18.468 -20.578 -6.874 149 HB3 LYS 21 HB3 LYS 21 19.847 -20.836 -7.935 150 HG2 LYS 21 HG2 LYS 21 21.102 -21.816 -6.300 151 HG3 LYS 21 HG3 LYS 21 20.291 -20.941 -4.999 152 HD2 LYS 21 HD2 LYS 21 19.662 -23.259 -4.884 153 HD3 LYS 21 HD3 LYS 21 18.264 -22.318 -5.410 154 HE2 LYS 21 HE2 LYS 21 18.349 -23.146 -7.557 155 HE3 LYS 21 HE3 LYS 21 20.072 -23.509 -7.462 156 HZ1 LYS 21 HZ1 LYS 21 19.636 -25.403 -6.129 157 HZ2 LYS 21 HZ2 LYS 21 18.580 -25.486 -7.447 158 HZ3 LYS 21 HZ3 LYS 21 18.007 -24.991 -5.935 159 H ALA 22 H ALA 22 21.333 -18.431 -8.790 160 HA ALA 22 HA ALA 22 23.846 -19.416 -8.216 161 HB1 ALA 22 HB1 ALA 22 23.023 -18.451 -10.398 162 HB2 ALA 22 HB2 ALA 22 23.388 -16.859 -9.732 163 HB3 ALA 22 HB3 ALA 22 24.679 -18.041 -9.950 164 H ILE 23 H ILE 23 22.456 -16.281 -7.351 165 HA ILE 23 HA ILE 23 24.860 -15.282 -6.168 166 HB ILE 23 HB ILE 23 22.042 -14.315 -5.683 167 HG12 ILE 23 HG12 ILE 23 22.563 -14.396 -8.097 168 HG13 ILE 23 HG13 ILE 23 22.407 -12.743 -7.513 169 HG21 ILE 23 HG21 ILE 23 23.124 -12.189 -5.160 170 HG22 ILE 23 HG22 ILE 23 23.701 -13.476 -4.102 171 HG23 ILE 23 HG23 ILE 23 24.705 -12.920 -5.441 172 HD11 ILE 23 HD11 ILE 23 24.530 -13.875 -8.945 173 HD12 ILE 23 HD12 ILE 23 24.430 -12.256 -8.252 174 HD13 ILE 23 HD13 ILE 23 25.134 -13.574 -7.316 175 H ASN 24 H ASN 24 22.229 -17.250 -5.089 176 HA ASN 24 HA ASN 24 22.708 -16.807 -2.280 177 HB2 ASN 24 HB2 ASN 24 21.058 -18.956 -3.628 178 HB3 ASN 24 HB3 ASN 24 21.007 -18.518 -1.923 179 HD21 ASN 24 HD21 ASN 24 21.023 -15.789 -2.051 180 HD22 ASN 24 HD22 ASN 24 19.574 -15.234 -2.812 181 H ASP 25 H ASP 25 23.701 -19.075 -4.734 182 HA ASP 25 HA ASP 25 24.558 -21.227 -3.232 183 HB2 ASP 25 HB2 ASP 25 24.641 -21.415 -5.596 184 HB3 ASP 25 HB3 ASP 25 25.680 -20.000 -5.747 185 H ARG 26 H ARG 26 26.040 -18.084 -3.637 186 HA ARG 26 HA ARG 26 28.372 -18.930 -2.080 187 HB2 ARG 26 HB2 ARG 26 27.786 -16.600 -3.866 188 HB3 ARG 26 HB3 ARG 26 29.046 -16.458 -2.647 189 HG2 ARG 26 HG2 ARG 26 30.379 -18.065 -3.650 190 HG3 ARG 26 HG3 ARG 26 29.030 -18.766 -4.546 191 HD2 ARG 26 HD2 ARG 26 30.300 -17.585 -6.139 192 HD3 ARG 26 HD3 ARG 26 28.904 -16.564 -5.797 193 HE ARG 26 HE ARG 26 30.765 -15.629 -4.083 194 HH11 ARG 26 HH11 ARG 26 30.794 -16.256 -7.507 195 HH12 ARG 26 HH12 ARG 26 31.939 -15.005 -7.859 196 HH21 ARG 26 HH21 ARG 26 32.274 -13.978 -4.534 197 HH22 ARG 26 HH22 ARG 26 32.781 -13.710 -6.167 198 H ARG 27 H ARG 27 25.851 -16.425 -2.103 199 HA ARG 27 HA ARG 27 26.167 -16.207 0.813 200 HB2 ARG 27 HB2 ARG 27 25.879 -13.946 -1.168 201 HB3 ARG 27 HB3 ARG 27 25.638 -13.753 0.563 202 HG2 ARG 27 HG2 ARG 27 28.017 -14.758 0.757 203 HG3 ARG 27 HG3 ARG 27 28.155 -14.306 -0.944 204 HD2 ARG 27 HD2 ARG 27 28.968 -12.423 0.109 205 HD3 ARG 27 HD3 ARG 27 27.271 -12.001 -0.120 206 HE ARG 27 HE ARG 27 27.021 -11.971 2.149 207 HH11 ARG 27 HH11 ARG 27 29.919 -13.731 1.362 208 HH12 ARG 27 HH12 ARG 27 30.425 -13.893 3.012 209 HH21 ARG 27 HH21 ARG 27 27.675 -12.178 4.324 210 HH22 ARG 27 HH22 ARG 27 29.147 -13.010 4.696 211 H LYS 28 H LYS 28 24.356 -17.797 0.576 212 HA LYS 28 HA LYS 28 21.878 -17.252 -0.514 213 HB2 LYS 28 HB2 LYS 28 20.968 -18.871 1.052 214 HB3 LYS 28 HB3 LYS 28 22.527 -19.427 0.455 215 HG2 LYS 28 HG2 LYS 28 22.885 -17.891 2.851 216 HG3 LYS 28 HG3 LYS 28 21.700 -19.172 3.116 217 HD2 LYS 28 HD2 LYS 28 24.398 -19.627 1.851 218 HD3 LYS 28 HD3 LYS 28 24.083 -19.815 3.578 219 HE2 LYS 28 HE2 LYS 28 22.277 -21.227 1.697 220 HE3 LYS 28 HE3 LYS 28 23.921 -21.843 1.857 221 HZ1 LYS 28 HZ1 LYS 28 23.524 -22.599 3.913 222 HZ2 LYS 28 HZ2 LYS 28 21.894 -22.516 3.469 223 HZ3 LYS 28 HZ3 LYS 28 22.593 -21.258 4.358 224 H LYS 29 H LYS 29 19.857 -16.635 0.540 225 HA LYS 29 HA LYS 29 20.284 -14.362 2.341 226 HB2 LYS 29 HB2 LYS 29 18.209 -15.073 0.320 227 HB3 LYS 29 HB3 LYS 29 17.735 -14.051 1.670 228 HG2 LYS 29 HG2 LYS 29 20.124 -13.400 -0.016 229 HG3 LYS 29 HG3 LYS 29 18.494 -12.919 -0.491 230 HD2 LYS 29 HD2 LYS 29 19.383 -12.303 2.279 231 HD3 LYS 29 HD3 LYS 29 20.054 -11.341 0.959 232 HE2 LYS 29 HE2 LYS 29 18.189 -10.111 1.485 233 HE3 LYS 29 HE3 LYS 29 17.546 -11.162 0.224 234 HZ1 LYS 29 HZ1 LYS 29 17.378 -11.960 3.057 235 HZ2 LYS 29 HZ2 LYS 29 16.415 -12.446 1.755 236 HZ3 LYS 29 HZ3 LYS 29 16.238 -10.894 2.403 Start of MODEL 9 1 H1 SER 1 H SER 1 5.314 2.571 -0.166 2 HA SER 1 HA SER 1 3.321 2.141 -1.903 3 HB2 SER 1 HB2 SER 1 6.252 1.585 -2.411 4 HB3 SER 1 HB3 SER 1 5.038 1.747 -3.680 5 HG SER 1 HG SER 1 6.405 3.673 -2.706 6 H ALA 2 H ALA 2 1.985 0.428 -1.816 7 HA ALA 2 HA ALA 2 2.636 -2.204 -1.218 8 HB1 ALA 2 HB1 ALA 2 0.488 -2.791 -2.318 9 HB2 ALA 2 HB2 ALA 2 0.354 -1.461 -1.167 10 HB3 ALA 2 HB3 ALA 2 0.377 -1.130 -2.899 11 H ILE 3 H ILE 3 2.853 -0.465 -4.239 12 HA ILE 3 HA ILE 3 2.991 -2.552 -6.061 13 HB ILE 3 HB ILE 3 4.563 0.027 -6.115 14 HG12 ILE 3 HG12 ILE 3 2.169 0.433 -5.944 15 HG13 ILE 3 HG13 ILE 3 2.721 0.820 -7.570 16 HG21 ILE 3 HG21 ILE 3 4.521 -0.364 -8.596 17 HG22 ILE 3 HG22 ILE 3 5.542 -1.469 -7.677 18 HG23 ILE 3 HG23 ILE 3 3.964 -2.002 -8.254 19 HD11 ILE 3 HD11 ILE 3 1.109 -1.532 -6.655 20 HD12 ILE 3 HD12 ILE 3 0.704 -0.313 -7.864 21 HD13 ILE 3 HD13 ILE 3 1.946 -1.517 -8.207 22 H LEU 4 H LEU 4 5.304 -1.520 -3.692 23 HA LEU 4 HA LEU 4 7.678 -2.509 -4.720 24 HB2 LEU 4 HB2 LEU 4 7.094 -1.264 -2.484 25 HB3 LEU 4 HB3 LEU 4 7.043 -2.900 -1.832 26 HG LEU 4 HG LEU 4 9.384 -3.223 -2.602 27 HD11 LEU 4 HD11 LEU 4 10.136 -0.491 -2.835 28 HD12 LEU 4 HD12 LEU 4 8.861 -0.824 -4.007 29 HD13 LEU 4 HD13 LEU 4 10.333 -1.797 -4.004 30 HD21 LEU 4 HD21 LEU 4 9.227 -0.794 -0.848 31 HD22 LEU 4 HD22 LEU 4 10.342 -2.158 -0.758 32 HD23 LEU 4 HD23 LEU 4 8.652 -2.367 -0.297 33 H ALA 5 H ALA 5 4.966 -4.211 -3.337 34 HA ALA 5 HA ALA 5 6.392 -6.724 -3.154 35 HB1 ALA 5 HB1 ALA 5 4.669 -6.171 -1.509 36 HB2 ALA 5 HB2 ALA 5 3.458 -6.131 -2.790 37 HB3 ALA 5 HB3 ALA 5 4.270 -7.645 -2.392 38 H ILE 6 H ILE 6 4.448 -5.034 -5.451 39 HA ILE 6 HA ILE 6 3.809 -7.396 -6.998 40 HB ILE 6 HB ILE 6 3.411 -4.474 -7.653 41 HG12 ILE 6 HG12 ILE 6 1.135 -6.288 -7.079 42 HG13 ILE 6 HG13 ILE 6 2.140 -5.838 -5.706 43 HG21 ILE 6 HG21 ILE 6 1.630 -5.746 -9.194 44 HG22 ILE 6 HG22 ILE 6 3.258 -5.341 -9.737 45 HG23 ILE 6 HG23 ILE 6 2.902 -6.967 -9.155 46 HD11 ILE 6 HD11 ILE 6 1.032 -3.936 -5.555 47 HD12 ILE 6 HD12 ILE 6 1.607 -3.481 -7.160 48 HD13 ILE 6 HD13 ILE 6 0.084 -4.353 -6.982 49 H THR 7 H THR 7 5.545 -4.371 -7.758 50 HA THR 7 HA THR 7 6.711 -5.161 -10.126 51 HB THR 7 HB THR 7 6.786 -2.849 -9.152 52 HG1 THR 7 HG1 THR 7 8.649 -2.385 -10.255 53 HG21 THR 7 HG21 THR 7 8.581 -2.256 -7.643 54 HG22 THR 7 HG22 THR 7 9.160 -3.922 -7.625 55 HG23 THR 7 HG23 THR 7 7.599 -3.522 -6.908 56 H LEU 8 H LEU 8 7.630 -5.967 -6.858 57 HA LEU 8 HA LEU 8 10.213 -7.005 -7.550 58 HB2 LEU 8 HB2 LEU 8 9.547 -6.116 -5.296 59 HB3 LEU 8 HB3 LEU 8 8.596 -7.584 -5.077 60 HG LEU 8 HG LEU 8 11.440 -7.987 -5.752 61 HD11 LEU 8 HD11 LEU 8 10.646 -7.002 -3.018 62 HD12 LEU 8 HD12 LEU 8 11.507 -6.038 -4.218 63 HD13 LEU 8 HD13 LEU 8 12.254 -7.490 -3.552 64 HD21 LEU 8 HD21 LEU 8 10.834 -9.442 -3.527 65 HD22 LEU 8 HD22 LEU 8 10.626 -9.997 -5.188 66 HD23 LEU 8 HD23 LEU 8 9.260 -9.307 -4.311 67 H GLY 9 H GLY 9 7.123 -8.502 -6.584 68 HA2 GLY 9 HA2 GLY 9 7.911 -11.166 -6.896 69 HA3 GLY 9 HA3 GLY 9 6.257 -10.584 -7.008 70 H ILE 10 H ILE 10 6.574 -8.899 -9.258 71 HA ILE 10 HA ILE 10 6.309 -10.826 -11.337 72 HB ILE 10 HB ILE 10 6.503 -7.818 -11.532 73 HG12 ILE 10 HG12 ILE 10 4.616 -8.577 -10.152 74 HG13 ILE 10 HG13 ILE 10 4.055 -7.883 -11.669 75 HG21 ILE 10 HG21 ILE 10 5.524 -9.844 -13.540 76 HG22 ILE 10 HG22 ILE 10 5.455 -8.093 -13.726 77 HG23 ILE 10 HG23 ILE 10 7.016 -8.910 -13.649 78 HD11 ILE 10 HD11 ILE 10 3.779 -10.157 -12.568 79 HD12 ILE 10 HD12 ILE 10 4.258 -10.808 -11.000 80 HD13 ILE 10 HD13 ILE 10 2.782 -9.853 -11.146 81 H PHE 11 H PHE 11 8.895 -8.769 -10.226 82 HA PHE 11 HA PHE 11 10.513 -9.174 -12.584 83 HB2 PHE 11 HB2 PHE 11 10.557 -7.097 -11.110 84 HB3 PHE 11 HB3 PHE 11 11.432 -8.068 -9.931 85 HD1 PHE 11 HD1 PHE 11 11.561 -6.976 -13.483 86 HD2 PHE 11 HD2 PHE 11 13.738 -8.215 -10.042 87 HE1 PHE 11 HE1 PHE 11 13.672 -6.465 -14.639 88 HE2 PHE 11 HE2 PHE 11 15.852 -7.704 -11.191 89 HZ PHE 11 HZ PHE 11 15.822 -6.827 -13.492 90 H ALA 12 H ALA 12 10.052 -10.680 -9.504 91 HA ALA 12 HA ALA 12 12.506 -11.994 -9.197 92 HB1 ALA 12 HB1 ALA 12 11.513 -12.646 -7.326 93 HB2 ALA 12 HB2 ALA 12 9.982 -11.999 -7.916 94 HB3 ALA 12 HB3 ALA 12 10.417 -13.675 -8.248 95 H THR 13 H THR 13 9.471 -13.237 -10.603 96 HA THR 13 HA THR 13 10.422 -15.713 -11.427 97 HB THR 13 HB THR 13 8.416 -14.180 -13.062 98 HG1 THR 13 HG1 THR 13 7.884 -15.512 -10.598 99 HG21 THR 13 HG21 THR 13 9.327 -16.860 -12.980 100 HG22 THR 13 HG22 THR 13 8.033 -16.179 -13.965 101 HG23 THR 13 HG23 THR 13 7.671 -16.848 -12.375 102 H GLY 14 H GLY 14 10.934 -12.566 -12.793 103 HA2 GLY 14 HA2 GLY 14 11.536 -13.158 -15.436 104 HA3 GLY 14 HA3 GLY 14 12.280 -11.860 -14.514 105 H TYR 15 H TYR 15 13.486 -13.649 -12.559 106 HA TYR 15 HA TYR 15 15.892 -14.231 -14.003 107 HB2 TYR 15 HB2 TYR 15 15.074 -14.618 -11.125 108 HB3 TYR 15 HB3 TYR 15 16.652 -15.103 -11.737 109 HD1 TYR 15 HD1 TYR 15 15.122 -12.652 -9.937 110 HD2 TYR 15 HD2 TYR 15 17.679 -13.057 -13.313 111 HE1 TYR 15 HE1 TYR 15 15.958 -10.368 -9.571 112 HE2 TYR 15 HE2 TYR 15 18.523 -10.775 -12.956 113 HH TYR 15 HH TYR 15 18.573 -9.031 -11.536 114 H GLY 16 H GLY 16 14.148 -16.364 -11.746 115 HA2 GLY 16 HA2 GLY 16 13.192 -18.418 -12.989 116 HA3 GLY 16 HA3 GLY 16 14.865 -18.627 -13.484 117 H MET 17 H MET 17 14.719 -20.720 -12.447 118 HA MET 17 HA MET 17 14.422 -20.806 -9.575 119 HB2 MET 17 HB2 MET 17 13.827 -22.627 -11.391 120 HB3 MET 17 HB3 MET 17 15.503 -23.102 -11.152 121 HG2 MET 17 HG2 MET 17 13.612 -22.790 -8.850 122 HG3 MET 17 HG3 MET 17 13.714 -24.285 -9.777 123 HE1 MET 17 HE1 MET 17 15.511 -25.938 -7.229 124 HE2 MET 17 HE2 MET 17 14.284 -25.849 -8.493 125 HE3 MET 17 HE3 MET 17 15.953 -26.241 -8.910 126 H GLY 18 H GLY 18 17.050 -21.772 -11.797 127 HA2 GLY 18 HA2 GLY 18 18.968 -21.663 -9.627 128 HA3 GLY 18 HA3 GLY 18 19.295 -22.130 -11.289 129 H VAL 19 H VAL 19 17.849 -19.555 -12.105 130 HA VAL 19 HA VAL 19 20.119 -17.990 -12.561 131 HB VAL 19 HB VAL 19 17.242 -17.069 -12.524 132 HG11 VAL 19 HG11 VAL 19 19.775 -15.859 -13.571 133 HG12 VAL 19 HG12 VAL 19 18.211 -15.457 -14.284 134 HG13 VAL 19 HG13 VAL 19 18.517 -15.122 -12.579 135 HG21 VAL 19 HG21 VAL 19 16.952 -18.400 -14.281 136 HG22 VAL 19 HG22 VAL 19 18.133 -17.423 -15.153 137 HG23 VAL 19 HG23 VAL 19 18.654 -18.862 -14.276 138 H GLN 20 H GLN 20 17.381 -17.185 -10.415 139 HA GLN 20 HA GLN 20 18.779 -15.088 -9.112 140 HB2 GLN 20 HB2 GLN 20 16.887 -15.111 -7.522 141 HB3 GLN 20 HB3 GLN 20 16.356 -15.090 -9.198 142 HG2 GLN 20 HG2 GLN 20 14.948 -16.661 -8.348 143 HG3 GLN 20 HG3 GLN 20 16.279 -17.691 -8.872 144 HE21 GLN 20 HE21 GLN 20 16.006 -19.315 -7.427 145 HE22 GLN 20 HE22 GLN 20 16.203 -19.132 -5.721 146 H LYS 21 H LYS 21 18.569 -18.506 -8.600 147 HA LYS 21 HA LYS 21 19.369 -18.560 -5.879 148 HB2 LYS 21 HB2 LYS 21 18.282 -20.460 -7.056 149 HB3 LYS 21 HB3 LYS 21 19.751 -20.687 -7.995 150 HG2 LYS 21 HG2 LYS 21 20.915 -21.557 -6.226 151 HG3 LYS 21 HG3 LYS 21 19.936 -20.711 -5.025 152 HD2 LYS 21 HD2 LYS 21 19.473 -23.098 -4.975 153 HD3 LYS 21 HD3 LYS 21 18.052 -22.207 -5.526 154 HE2 LYS 21 HE2 LYS 21 18.257 -22.962 -7.695 155 HE3 LYS 21 HE3 LYS 21 19.986 -23.267 -7.537 156 HZ1 LYS 21 HZ1 LYS 21 17.723 -24.953 -6.773 157 HZ2 LYS 21 HZ2 LYS 21 19.112 -25.028 -5.810 158 HZ3 LYS 21 HZ3 LYS 21 19.208 -25.384 -7.461 159 H ALA 22 H ALA 22 21.082 -18.184 -8.865 160 HA ALA 22 HA ALA 22 23.626 -19.054 -8.245 161 HB1 ALA 22 HB1 ALA 22 22.813 -18.127 -10.441 162 HB2 ALA 22 HB2 ALA 22 23.067 -16.518 -9.765 163 HB3 ALA 22 HB3 ALA 22 24.430 -17.620 -9.952 164 H ILE 23 H ILE 23 22.082 -15.983 -7.405 165 HA ILE 23 HA ILE 23 24.421 -14.904 -6.151 166 HB ILE 23 HB ILE 23 21.563 -14.008 -5.779 167 HG12 ILE 23 HG12 ILE 23 23.588 -13.103 -7.838 168 HG13 ILE 23 HG13 ILE 23 22.174 -14.096 -8.172 169 HG21 ILE 23 HG21 ILE 23 23.111 -13.101 -4.142 170 HG22 ILE 23 HG22 ILE 23 24.189 -12.569 -5.431 171 HG23 ILE 23 HG23 ILE 23 22.592 -11.840 -5.261 172 HD11 ILE 23 HD11 ILE 23 21.187 -12.162 -8.665 173 HD12 ILE 23 HD12 ILE 23 21.071 -11.943 -6.919 174 HD13 ILE 23 HD13 ILE 23 22.405 -11.213 -7.813 175 H ASN 24 H ASN 24 21.809 -16.942 -5.164 176 HA ASN 24 HA ASN 24 22.148 -16.466 -2.342 177 HB2 ASN 24 HB2 ASN 24 20.645 -18.681 -3.753 178 HB3 ASN 24 HB3 ASN 24 20.508 -18.254 -2.050 179 HD21 ASN 24 HD21 ASN 24 20.418 -15.527 -2.167 180 HD22 ASN 24 HD22 ASN 24 18.981 -15.026 -2.985 181 H ASP 25 H ASP 25 23.387 -18.666 -4.731 182 HA ASP 25 HA ASP 25 24.241 -20.798 -3.200 183 HB2 ASP 25 HB2 ASP 25 24.417 -20.613 -5.688 184 HB3 ASP 25 HB3 ASP 25 25.800 -19.544 -5.468 185 H ARG 26 H ARG 26 25.635 -17.595 -3.507 186 HA ARG 26 HA ARG 26 27.865 -18.357 -1.767 187 HB2 ARG 26 HB2 ARG 26 27.344 -15.892 -3.429 188 HB3 ARG 26 HB3 ARG 26 28.695 -16.034 -2.314 189 HG2 ARG 26 HG2 ARG 26 29.451 -18.034 -3.590 190 HG3 ARG 26 HG3 ARG 26 28.177 -17.699 -4.765 191 HD2 ARG 26 HD2 ARG 26 29.166 -15.439 -5.095 192 HD3 ARG 26 HD3 ARG 26 30.495 -15.913 -4.038 193 HE ARG 26 HE ARG 26 30.130 -16.645 -6.779 194 HH11 ARG 26 HH11 ARG 26 31.497 -17.656 -3.741 195 HH12 ARG 26 HH12 ARG 26 32.701 -18.667 -4.470 196 HH21 ARG 26 HH21 ARG 26 31.710 -17.973 -7.750 197 HH22 ARG 26 HH22 ARG 26 32.821 -18.846 -6.750 198 H ARG 27 H ARG 27 25.317 -15.886 -2.018 199 HA ARG 27 HA ARG 27 25.432 -15.610 0.912 200 HB2 ARG 27 HB2 ARG 27 25.274 -13.486 -1.202 201 HB3 ARG 27 HB3 ARG 27 24.604 -13.197 0.398 202 HG2 ARG 27 HG2 ARG 27 27.421 -14.149 0.067 203 HG3 ARG 27 HG3 ARG 27 27.010 -12.440 -0.099 204 HD2 ARG 27 HD2 ARG 27 25.844 -12.699 2.168 205 HD3 ARG 27 HD3 ARG 27 26.734 -14.214 2.307 206 HE ARG 27 HE ARG 27 28.554 -12.201 1.656 207 HH11 ARG 27 HH11 ARG 27 26.457 -13.109 4.282 208 HH12 ARG 27 HH12 ARG 27 27.456 -12.390 5.501 209 HH21 ARG 27 HH21 ARG 27 29.878 -11.250 3.252 210 HH22 ARG 27 HH22 ARG 27 29.401 -11.332 4.914 211 H LYS 28 H LYS 28 23.755 -17.357 0.586 212 HA LYS 28 HA LYS 28 21.290 -16.975 -0.609 213 HB2 LYS 28 HB2 LYS 28 20.430 -18.660 0.941 214 HB3 LYS 28 HB3 LYS 28 22.017 -19.118 0.336 215 HG2 LYS 28 HG2 LYS 28 21.949 -17.617 2.880 216 HG3 LYS 28 HG3 LYS 28 21.337 -19.272 2.908 217 HD2 LYS 28 HD2 LYS 28 23.572 -19.732 1.564 218 HD3 LYS 28 HD3 LYS 28 24.090 -18.265 2.397 219 HE2 LYS 28 HE2 LYS 28 23.987 -19.243 4.468 220 HE3 LYS 28 HE3 LYS 28 22.752 -20.402 3.980 221 HZ1 LYS 28 HZ1 LYS 28 25.612 -20.643 3.917 222 HZ2 LYS 28 HZ2 LYS 28 24.886 -21.081 2.453 223 HZ3 LYS 28 HZ3 LYS 28 24.426 -21.849 3.889 224 H LYS 29 H LYS 29 19.206 -16.452 0.306 225 HA LYS 29 HA LYS 29 19.400 -14.367 2.378 226 HB2 LYS 29 HB2 LYS 29 17.667 -14.640 -0.056 227 HB3 LYS 29 HB3 LYS 29 17.133 -13.658 1.302 228 HG2 LYS 29 HG2 LYS 29 19.279 -12.385 1.112 229 HG3 LYS 29 HG3 LYS 29 19.596 -13.273 -0.381 230 HD2 LYS 29 HD2 LYS 29 18.597 -11.358 -1.188 231 HD3 LYS 29 HD3 LYS 29 17.210 -12.440 -1.044 232 HE2 LYS 29 HE2 LYS 29 16.547 -10.360 -0.121 233 HE3 LYS 29 HE3 LYS 29 16.819 -11.450 1.238 234 HZ1 LYS 29 HZ1 LYS 29 18.854 -9.527 0.262 235 HZ2 LYS 29 HZ2 LYS 29 18.887 -10.421 1.697 236 HZ3 LYS 29 HZ3 LYS 29 17.762 -9.172 1.504 Start of MODEL 10 1 H1 SER 1 H SER 1 4.890 4.280 -2.809 2 HA SER 1 HA SER 1 2.430 3.699 -3.706 3 HB2 SER 1 HB2 SER 1 5.117 3.135 -4.912 4 HB3 SER 1 HB3 SER 1 3.658 2.621 -5.758 5 HG SER 1 HG SER 1 4.447 5.239 -5.043 6 H ALA 2 H ALA 2 1.219 1.916 -4.328 7 HA ALA 2 HA ALA 2 1.678 -0.469 -2.795 8 HB1 ALA 2 HB1 ALA 2 -0.430 -1.197 -4.155 9 HB2 ALA 2 HB2 ALA 2 -0.567 0.026 -2.891 10 HB3 ALA 2 HB3 ALA 2 -0.498 0.512 -4.585 11 H ILE 3 H ILE 3 1.906 0.464 -6.179 12 HA ILE 3 HA ILE 3 2.131 -2.029 -7.375 13 HB ILE 3 HB ILE 3 3.597 0.500 -8.136 14 HG12 ILE 3 HG12 ILE 3 1.189 0.845 -8.053 15 HG13 ILE 3 HG13 ILE 3 1.724 0.802 -9.730 16 HG21 ILE 3 HG21 ILE 3 3.544 -0.557 -10.427 17 HG22 ILE 3 HG22 ILE 3 4.640 -1.300 -9.263 18 HG23 ILE 3 HG23 ILE 3 3.093 -2.063 -9.628 19 HD11 ILE 3 HD11 ILE 3 -0.247 -0.444 -9.686 20 HD12 ILE 3 HD12 ILE 3 1.041 -1.649 -9.705 21 HD13 ILE 3 HD13 ILE 3 0.205 -1.275 -8.198 22 H LEU 4 H LEU 4 4.396 -0.307 -5.394 23 HA LEU 4 HA LEU 4 6.811 -1.437 -6.140 24 HB2 LEU 4 HB2 LEU 4 6.084 0.302 -4.253 25 HB3 LEU 4 HB3 LEU 4 6.281 -1.127 -3.240 26 HG LEU 4 HG LEU 4 8.287 0.272 -3.249 27 HD11 LEU 4 HD11 LEU 4 9.812 -1.463 -3.423 28 HD12 LEU 4 HD12 LEU 4 8.977 -2.197 -4.791 29 HD13 LEU 4 HD13 LEU 4 8.286 -2.311 -3.173 30 HD21 LEU 4 HD21 LEU 4 9.045 -0.430 -5.996 31 HD22 LEU 4 HD22 LEU 4 9.291 1.066 -5.094 32 HD23 LEU 4 HD23 LEU 4 7.737 0.746 -5.865 33 H ALA 5 H ALA 5 4.169 -2.818 -4.329 34 HA ALA 5 HA ALA 5 5.700 -5.130 -3.495 35 HB1 ALA 5 HB1 ALA 5 3.922 -4.185 -2.068 36 HB2 ALA 5 HB2 ALA 5 2.732 -4.637 -3.289 37 HB3 ALA 5 HB3 ALA 5 3.656 -5.886 -2.453 38 H ILE 6 H ILE 6 3.675 -4.198 -6.135 39 HA ILE 6 HA ILE 6 3.142 -6.911 -6.991 40 HB ILE 6 HB ILE 6 2.627 -4.289 -8.399 41 HG12 ILE 6 HG12 ILE 6 0.426 -5.970 -7.338 42 HG13 ILE 6 HG13 ILE 6 1.410 -5.129 -6.146 43 HG21 ILE 6 HG21 ILE 6 1.819 -7.111 -9.061 44 HG22 ILE 6 HG22 ILE 6 1.049 -5.690 -9.764 45 HG23 ILE 6 HG23 ILE 6 2.763 -5.995 -10.047 46 HD11 ILE 6 HD11 ILE 6 -0.701 -4.121 -7.755 47 HD12 ILE 6 HD12 ILE 6 0.228 -3.300 -6.500 48 HD13 ILE 6 HD13 ILE 6 0.786 -3.271 -8.173 49 H THR 7 H THR 7 4.758 -4.132 -8.545 50 HA THR 7 HA THR 7 5.957 -5.477 -10.629 51 HB THR 7 HB THR 7 5.943 -2.993 -10.315 52 HG1 THR 7 HG1 THR 7 7.453 -4.302 -11.743 53 HG21 THR 7 HG21 THR 7 7.632 -1.925 -8.993 54 HG22 THR 7 HG22 THR 7 8.371 -3.475 -8.590 55 HG23 THR 7 HG23 THR 7 6.779 -3.065 -7.953 56 H LEU 8 H LEU 8 6.906 -5.348 -7.273 57 HA LEU 8 HA LEU 8 9.522 -6.453 -7.700 58 HB2 LEU 8 HB2 LEU 8 8.821 -4.988 -5.766 59 HB3 LEU 8 HB3 LEU 8 7.969 -6.391 -5.124 60 HG LEU 8 HG LEU 8 10.815 -6.822 -5.749 61 HD11 LEU 8 HD11 LEU 8 10.554 -4.444 -4.753 62 HD12 LEU 8 HD12 LEU 8 11.741 -5.547 -4.059 63 HD13 LEU 8 HD13 LEU 8 10.193 -5.299 -3.253 64 HD21 LEU 8 HD21 LEU 8 8.803 -7.627 -3.709 65 HD22 LEU 8 HD22 LEU 8 10.513 -7.714 -3.288 66 HD23 LEU 8 HD23 LEU 8 9.898 -8.620 -4.672 67 H GLY 9 H GLY 9 6.566 -7.719 -6.144 68 HA2 GLY 9 HA2 GLY 9 7.417 -10.332 -5.769 69 HA3 GLY 9 HA3 GLY 9 5.741 -9.857 -6.001 70 H ILE 10 H ILE 10 6.056 -8.840 -8.659 71 HA ILE 10 HA ILE 10 5.872 -11.327 -10.089 72 HB ILE 10 HB ILE 10 5.724 -8.492 -11.123 73 HG12 ILE 10 HG12 ILE 10 3.957 -8.971 -9.508 74 HG13 ILE 10 HG13 ILE 10 3.284 -8.879 -11.132 75 HG21 ILE 10 HG21 ILE 10 4.293 -10.091 -12.834 76 HG22 ILE 10 HG22 ILE 10 5.920 -9.475 -13.119 77 HG23 ILE 10 HG23 ILE 10 5.694 -11.089 -12.445 78 HD11 ILE 10 HD11 ILE 10 3.320 -11.351 -11.229 79 HD12 ILE 10 HD12 ILE 10 3.853 -11.369 -9.547 80 HD13 ILE 10 HD13 ILE 10 2.274 -10.703 -9.965 81 H PHE 11 H PHE 11 8.276 -8.884 -9.609 82 HA PHE 11 HA PHE 11 9.865 -9.659 -11.893 83 HB2 PHE 11 HB2 PHE 11 9.908 -7.336 -11.151 84 HB3 PHE 11 HB3 PHE 11 10.486 -7.832 -9.563 85 HD1 PHE 11 HD1 PHE 11 11.549 -8.897 -12.967 86 HD2 PHE 11 HD2 PHE 11 12.607 -6.953 -9.332 87 HE1 PHE 11 HE1 PHE 11 13.871 -8.695 -13.755 88 HE2 PHE 11 HE2 PHE 11 14.930 -6.747 -10.114 89 HZ PHE 11 HZ PHE 11 15.565 -7.618 -12.328 90 H ALA 12 H ALA 12 9.616 -10.483 -8.538 91 HA ALA 12 HA ALA 12 12.164 -11.504 -8.040 92 HB1 ALA 12 HB1 ALA 12 10.239 -13.140 -6.729 93 HB2 ALA 12 HB2 ALA 12 11.243 -11.856 -6.054 94 HB3 ALA 12 HB3 ALA 12 9.658 -11.475 -6.728 95 H THR 13 H THR 13 9.260 -13.411 -8.865 96 HA THR 13 HA THR 13 10.608 -15.809 -9.354 97 HB THR 13 HB THR 13 8.428 -15.969 -11.025 98 HG1 THR 13 HG1 THR 13 7.531 -14.025 -10.577 99 HG21 THR 13 HG21 THR 13 8.187 -17.653 -9.582 100 HG22 THR 13 HG22 THR 13 7.453 -16.513 -8.454 101 HG23 THR 13 HG23 THR 13 9.186 -16.833 -8.384 102 H GLY 14 H GLY 14 10.217 -12.987 -11.326 103 HA2 GLY 14 HA2 GLY 14 10.504 -13.975 -13.892 104 HA3 GLY 14 HA3 GLY 14 11.134 -12.425 -13.355 105 H TYR 15 H TYR 15 12.893 -13.774 -11.365 106 HA TYR 15 HA TYR 15 15.221 -13.918 -12.918 107 HB2 TYR 15 HB2 TYR 15 14.513 -14.557 -10.098 108 HB3 TYR 15 HB3 TYR 15 16.028 -15.201 -10.721 109 HD1 TYR 15 HD1 TYR 15 17.852 -13.946 -10.104 110 HD2 TYR 15 HD2 TYR 15 14.210 -11.939 -11.004 111 HE1 TYR 15 HE1 TYR 15 18.947 -11.784 -9.684 112 HE2 TYR 15 HE2 TYR 15 15.295 -9.771 -10.588 113 HH TYR 15 HH TYR 15 18.743 -9.522 -10.010 114 H GLY 16 H GLY 16 13.987 -16.635 -10.975 115 HA2 GLY 16 HA2 GLY 16 13.334 -18.626 -12.477 116 HA3 GLY 16 HA3 GLY 16 14.979 -18.451 -13.070 117 H MET 17 H MET 17 15.142 -20.713 -12.347 118 HA MET 17 HA MET 17 15.145 -21.213 -9.505 119 HB2 MET 17 HB2 MET 17 15.576 -22.832 -11.966 120 HB3 MET 17 HB3 MET 17 16.274 -23.428 -10.465 121 HG2 MET 17 HG2 MET 17 14.196 -24.463 -10.591 122 HG3 MET 17 HG3 MET 17 13.953 -23.131 -9.464 123 HE1 MET 17 HE1 MET 17 10.536 -22.503 -10.836 124 HE2 MET 17 HE2 MET 17 11.253 -23.965 -10.158 125 HE3 MET 17 HE3 MET 17 11.647 -22.389 -9.470 126 H GLY 18 H GLY 18 17.651 -21.501 -12.038 127 HA2 GLY 18 HA2 GLY 18 19.738 -21.411 -10.028 128 HA3 GLY 18 HA3 GLY 18 19.962 -21.605 -11.760 129 H VAL 19 H VAL 19 18.125 -19.172 -12.080 130 HA VAL 19 HA VAL 19 20.126 -17.258 -12.477 131 HB VAL 19 HB VAL 19 17.177 -16.730 -12.088 132 HG11 VAL 19 HG11 VAL 19 19.443 -15.123 -13.209 133 HG12 VAL 19 HG12 VAL 19 17.783 -14.841 -13.738 134 HG13 VAL 19 HG13 VAL 19 18.214 -14.649 -12.038 135 HG21 VAL 19 HG21 VAL 19 16.869 -17.928 -13.939 136 HG22 VAL 19 HG22 VAL 19 17.783 -16.694 -14.807 137 HG23 VAL 19 HG23 VAL 19 18.605 -18.122 -14.178 138 H GLN 20 H GLN 20 17.508 -17.129 -10.052 139 HA GLN 20 HA GLN 20 18.742 -15.050 -8.566 140 HB2 GLN 20 HB2 GLN 20 17.009 -15.519 -6.877 141 HB3 GLN 20 HB3 GLN 20 16.336 -15.374 -8.495 142 HG2 GLN 20 HG2 GLN 20 15.219 -17.209 -7.732 143 HG3 GLN 20 HG3 GLN 20 16.601 -17.973 -8.516 144 HE21 GLN 20 HE21 GLN 20 16.836 -19.768 -7.328 145 HE22 GLN 20 HE22 GLN 20 17.135 -19.792 -5.626 146 H LYS 21 H LYS 21 18.998 -18.503 -8.526 147 HA LYS 21 HA LYS 21 19.980 -18.860 -5.909 148 HB2 LYS 21 HB2 LYS 21 19.190 -20.733 -7.255 149 HB3 LYS 21 HB3 LYS 21 20.487 -20.476 -8.415 150 HG2 LYS 21 HG2 LYS 21 22.059 -21.429 -7.083 151 HG3 LYS 21 HG3 LYS 21 21.254 -20.939 -5.590 152 HD2 LYS 21 HD2 LYS 21 21.117 -23.338 -5.822 153 HD3 LYS 21 HD3 LYS 21 19.507 -22.641 -6.023 154 HE2 LYS 21 HE2 LYS 21 19.921 -24.378 -7.681 155 HE3 LYS 21 HE3 LYS 21 19.740 -22.802 -8.451 156 HZ1 LYS 21 HZ1 LYS 21 22.460 -23.430 -7.780 157 HZ2 LYS 21 HZ2 LYS 21 21.807 -22.884 -9.241 158 HZ3 LYS 21 HZ3 LYS 21 21.782 -24.534 -8.868 159 H ALA 22 H ALA 22 21.458 -17.709 -8.826 160 HA ALA 22 HA ALA 22 24.140 -18.206 -8.395 161 HB1 ALA 22 HB1 ALA 22 23.059 -17.106 -10.401 162 HB2 ALA 22 HB2 ALA 22 23.113 -15.599 -9.486 163 HB3 ALA 22 HB3 ALA 22 24.610 -16.439 -9.889 164 H ILE 23 H ILE 23 22.123 -15.631 -7.051 165 HA ILE 23 HA ILE 23 24.272 -14.309 -5.715 166 HB ILE 23 HB ILE 23 21.334 -14.126 -5.055 167 HG12 ILE 23 HG12 ILE 23 21.683 -13.699 -7.443 168 HG13 ILE 23 HG13 ILE 23 21.267 -12.212 -6.599 169 HG21 ILE 23 HG21 ILE 23 22.524 -13.082 -3.340 170 HG22 ILE 23 HG22 ILE 23 23.732 -12.432 -4.448 171 HG23 ILE 23 HG23 ILE 23 22.102 -11.759 -4.427 172 HD11 ILE 23 HD11 ILE 23 24.087 -12.448 -6.596 173 HD12 ILE 23 HD12 ILE 23 23.510 -12.754 -8.235 174 HD13 ILE 23 HD13 ILE 23 23.079 -11.254 -7.413 175 H ASN 24 H ASN 24 22.214 -16.987 -4.968 176 HA ASN 24 HA ASN 24 22.715 -16.904 -2.127 177 HB2 ASN 24 HB2 ASN 24 21.378 -18.937 -3.917 178 HB3 ASN 24 HB3 ASN 24 21.569 -19.162 -2.181 179 HD21 ASN 24 HD21 ASN 24 20.178 -17.055 -4.630 180 HD22 ASN 24 HD22 ASN 24 18.891 -16.456 -3.645 181 H ASP 25 H ASP 25 24.031 -18.501 -4.941 182 HA ASP 25 HA ASP 25 25.425 -20.599 -3.807 183 HB2 ASP 25 HB2 ASP 25 25.213 -19.941 -6.279 184 HB3 ASP 25 HB3 ASP 25 26.595 -18.887 -5.992 185 H ARG 26 H ARG 26 26.113 -17.184 -3.713 186 HA ARG 26 HA ARG 26 28.732 -17.650 -2.504 187 HB2 ARG 26 HB2 ARG 26 27.449 -14.978 -3.051 188 HB3 ARG 26 HB3 ARG 26 29.154 -15.331 -2.808 189 HG2 ARG 26 HG2 ARG 26 27.478 -16.140 -5.175 190 HG3 ARG 26 HG3 ARG 26 28.718 -14.885 -5.138 191 HD2 ARG 26 HD2 ARG 26 29.925 -17.224 -4.152 192 HD3 ARG 26 HD3 ARG 26 28.998 -17.707 -5.572 193 HE ARG 26 HE ARG 26 30.459 -16.528 -6.894 194 HH11 ARG 26 HH11 ARG 26 30.955 -15.668 -3.557 195 HH12 ARG 26 HH12 ARG 26 32.404 -14.771 -3.868 196 HH21 ARG 26 HH21 ARG 26 32.366 -15.350 -7.316 197 HH22 ARG 26 HH22 ARG 26 33.205 -14.590 -6.006 198 H ARG 27 H ARG 27 25.652 -16.040 -1.766 199 HA ARG 27 HA ARG 27 26.130 -16.528 1.072 200 HB2 ARG 27 HB2 ARG 27 25.310 -14.166 1.555 201 HB3 ARG 27 HB3 ARG 27 26.951 -14.320 0.943 202 HG2 ARG 27 HG2 ARG 27 26.114 -13.767 -1.319 203 HG3 ARG 27 HG3 ARG 27 24.515 -13.502 -0.622 204 HD2 ARG 27 HD2 ARG 27 25.431 -11.744 0.810 205 HD3 ARG 27 HD3 ARG 27 27.031 -12.015 0.121 206 HE ARG 27 HE ARG 27 25.501 -11.477 -2.046 207 HH11 ARG 27 HH11 ARG 27 26.023 -9.849 0.986 208 HH12 ARG 27 HH12 ARG 27 25.755 -8.267 0.332 209 HH21 ARG 27 HH21 ARG 27 25.146 -9.400 -2.919 210 HH22 ARG 27 HH22 ARG 27 25.255 -8.013 -1.889 211 H LYS 28 H LYS 28 24.479 -18.144 0.495 212 HA LYS 28 HA LYS 28 21.914 -17.537 -0.407 213 HB2 LYS 28 HB2 LYS 28 21.234 -19.660 0.507 214 HB3 LYS 28 HB3 LYS 28 22.852 -19.830 -0.161 215 HG2 LYS 28 HG2 LYS 28 23.648 -19.384 2.253 216 HG3 LYS 28 HG3 LYS 28 21.988 -19.787 2.700 217 HD2 LYS 28 HD2 LYS 28 23.805 -21.552 1.061 218 HD3 LYS 28 HD3 LYS 28 23.532 -21.726 2.797 219 HE2 LYS 28 HE2 LYS 28 21.062 -21.912 2.234 220 HE3 LYS 28 HE3 LYS 28 21.562 -22.087 0.553 221 HZ1 LYS 28 HZ1 LYS 28 22.779 -24.050 1.101 222 HZ2 LYS 28 HZ2 LYS 28 21.213 -24.221 1.718 223 HZ3 LYS 28 HZ3 LYS 28 22.494 -23.843 2.756 224 H LYS 29 H LYS 29 23.377 -17.081 2.709 225 HA LYS 29 HA LYS 29 21.133 -16.913 4.346 226 HB2 LYS 29 HB2 LYS 29 23.875 -15.746 4.420 227 HB3 LYS 29 HB3 LYS 29 22.675 -15.101 5.532 228 HG2 LYS 29 HG2 LYS 29 23.642 -16.746 6.802 229 HG3 LYS 29 HG3 LYS 29 22.267 -17.608 6.109 230 HD2 LYS 29 HD2 LYS 29 23.802 -18.409 4.295 231 HD3 LYS 29 HD3 LYS 29 25.142 -17.705 5.204 232 HE2 LYS 29 HE2 LYS 29 24.416 -19.120 7.154 233 HE3 LYS 29 HE3 LYS 29 23.302 -19.932 6.056 234 HZ1 LYS 29 HZ1 LYS 29 25.840 -19.878 4.871 235 HZ2 LYS 29 HZ2 LYS 29 24.952 -21.222 5.387 236 HZ3 LYS 29 HZ3 LYS 29 26.017 -20.453 6.452 Start of MODEL 11 1 H1 SER 1 H SER 1 5.761 0.985 -0.177 2 HA SER 1 HA SER 1 3.124 1.763 -1.236 3 HB2 SER 1 HB2 SER 1 4.794 2.943 -2.447 4 HB3 SER 1 HB3 SER 1 5.818 1.512 -2.575 5 HG SER 1 HG SER 1 4.824 1.664 -4.514 6 H ALA 2 H ALA 2 1.927 0.306 -2.428 7 HA ALA 2 HA ALA 2 2.380 -2.464 -1.832 8 HB1 ALA 2 HB1 ALA 2 0.151 -0.960 -2.312 9 HB2 ALA 2 HB2 ALA 2 0.314 -1.871 -3.813 10 HB3 ALA 2 HB3 ALA 2 0.201 -2.722 -2.273 11 H ILE 3 H ILE 3 2.462 -0.461 -4.753 12 HA ILE 3 HA ILE 3 2.818 -2.406 -6.678 13 HB ILE 3 HB ILE 3 4.195 0.281 -6.619 14 HG12 ILE 3 HG12 ILE 3 2.015 0.511 -8.275 15 HG13 ILE 3 HG13 ILE 3 1.392 -0.512 -6.986 16 HG21 ILE 3 HG21 ILE 3 4.272 0.100 -9.023 17 HG22 ILE 3 HG22 ILE 3 5.050 -1.310 -8.306 18 HG23 ILE 3 HG23 ILE 3 3.420 -1.443 -8.967 19 HD11 ILE 3 HD11 ILE 3 1.485 2.218 -6.962 20 HD12 ILE 3 HD12 ILE 3 1.306 1.181 -5.546 21 HD13 ILE 3 HD13 ILE 3 2.901 1.776 -6.009 22 H LEU 4 H LEU 4 5.163 -1.056 -4.435 23 HA LEU 4 HA LEU 4 7.538 -1.931 -5.533 24 HB2 LEU 4 HB2 LEU 4 7.090 -0.567 -3.401 25 HB3 LEU 4 HB3 LEU 4 6.989 -2.129 -2.591 26 HG LEU 4 HG LEU 4 9.307 -2.610 -3.320 27 HD11 LEU 4 HD11 LEU 4 8.961 0.041 -4.616 28 HD12 LEU 4 HD12 LEU 4 9.811 -1.396 -5.184 29 HD13 LEU 4 HD13 LEU 4 10.543 -0.368 -3.952 30 HD21 LEU 4 HD21 LEU 4 9.071 -0.018 -1.801 31 HD22 LEU 4 HD22 LEU 4 10.374 -1.202 -1.699 32 HD23 LEU 4 HD23 LEU 4 8.762 -1.610 -1.108 33 H ALA 5 H ALA 5 5.206 -3.737 -3.590 34 HA ALA 5 HA ALA 5 6.807 -6.120 -3.517 35 HB1 ALA 5 HB1 ALA 5 4.982 -5.334 -1.850 36 HB2 ALA 5 HB2 ALA 5 3.866 -6.098 -2.982 37 HB3 ALA 5 HB3 ALA 5 5.137 -7.052 -2.218 38 H ILE 6 H ILE 6 4.452 -4.758 -5.655 39 HA ILE 6 HA ILE 6 3.772 -7.224 -6.961 40 HB ILE 6 HB ILE 6 3.345 -4.378 -7.879 41 HG12 ILE 6 HG12 ILE 6 1.291 -6.238 -6.694 42 HG13 ILE 6 HG13 ILE 6 2.259 -5.165 -5.688 43 HG21 ILE 6 HG21 ILE 6 2.894 -6.933 -9.159 44 HG22 ILE 6 HG22 ILE 6 1.401 -6.011 -8.994 45 HG23 ILE 6 HG23 ILE 6 2.786 -5.304 -9.825 46 HD11 ILE 6 HD11 ILE 6 1.329 -3.434 -7.548 47 HD12 ILE 6 HD12 ILE 6 -0.011 -4.576 -7.437 48 HD13 ILE 6 HD13 ILE 6 0.562 -3.745 -5.991 49 H THR 7 H THR 7 5.420 -4.303 -8.181 50 HA THR 7 HA THR 7 6.420 -5.401 -10.518 51 HB THR 7 HB THR 7 6.466 -2.973 -9.939 52 HG1 THR 7 HG1 THR 7 7.725 -3.789 -11.683 53 HG21 THR 7 HG21 THR 7 8.382 -2.110 -8.669 54 HG22 THR 7 HG22 THR 7 8.889 -3.762 -8.316 55 HG23 THR 7 HG23 THR 7 7.365 -3.151 -7.674 56 H LEU 8 H LEU 8 7.619 -5.658 -7.248 57 HA LEU 8 HA LEU 8 10.182 -6.715 -7.983 58 HB2 LEU 8 HB2 LEU 8 9.719 -5.508 -5.857 59 HB3 LEU 8 HB3 LEU 8 8.756 -6.889 -5.334 60 HG LEU 8 HG LEU 8 11.581 -7.388 -6.110 61 HD11 LEU 8 HD11 LEU 8 10.715 -5.885 -3.662 62 HD12 LEU 8 HD12 LEU 8 12.009 -5.500 -4.796 63 HD13 LEU 8 HD13 LEU 8 12.184 -6.860 -3.688 64 HD21 LEU 8 HD21 LEU 8 9.643 -8.466 -4.078 65 HD22 LEU 8 HD22 LEU 8 11.350 -8.908 -4.104 66 HD23 LEU 8 HD23 LEU 8 10.319 -9.287 -5.485 67 H GLY 9 H GLY 9 7.310 -8.161 -6.426 68 HA2 GLY 9 HA2 GLY 9 8.151 -10.800 -6.409 69 HA3 GLY 9 HA3 GLY 9 6.471 -10.296 -6.513 70 H ILE 10 H ILE 10 6.509 -9.038 -9.010 71 HA ILE 10 HA ILE 10 6.301 -11.311 -10.720 72 HB ILE 10 HB ILE 10 6.155 -8.375 -11.415 73 HG12 ILE 10 HG12 ILE 10 4.451 -8.998 -9.791 74 HG13 ILE 10 HG13 ILE 10 3.706 -8.741 -11.365 75 HG21 ILE 10 HG21 ILE 10 4.622 -9.738 -13.233 76 HG22 ILE 10 HG22 ILE 10 6.253 -9.130 -13.516 77 HG23 ILE 10 HG23 ILE 10 6.010 -10.805 -13.021 78 HD11 ILE 10 HD11 ILE 10 4.228 -11.412 -11.424 79 HD12 ILE 10 HD12 ILE 10 3.848 -11.145 -9.722 80 HD13 ILE 10 HD13 ILE 10 2.689 -10.682 -10.968 81 H PHE 11 H PHE 11 8.766 -8.972 -10.072 82 HA PHE 11 HA PHE 11 10.238 -9.496 -12.503 83 HB2 PHE 11 HB2 PHE 11 10.335 -7.275 -11.466 84 HB3 PHE 11 HB3 PHE 11 11.030 -7.977 -10.009 85 HD1 PHE 11 HD1 PHE 11 13.277 -7.658 -9.750 86 HD2 PHE 11 HD2 PHE 11 11.701 -8.070 -13.683 87 HE1 PHE 11 HE1 PHE 11 15.534 -7.357 -10.682 88 HE2 PHE 11 HE2 PHE 11 13.956 -7.771 -14.621 89 HZ PHE 11 HZ PHE 11 15.876 -7.415 -13.121 90 H ALA 12 H ALA 12 10.123 -10.702 -9.258 91 HA ALA 12 HA ALA 12 12.669 -11.802 -8.987 92 HB1 ALA 12 HB1 ALA 12 11.816 -12.391 -7.028 93 HB2 ALA 12 HB2 ALA 12 10.214 -11.914 -7.590 94 HB3 ALA 12 HB3 ALA 12 10.771 -13.572 -7.818 95 H THR 13 H THR 13 9.704 -13.373 -10.195 96 HA THR 13 HA THR 13 10.825 -15.832 -10.855 97 HB THR 13 HB THR 13 8.668 -14.632 -12.561 98 HG1 THR 13 HG1 THR 13 7.324 -14.547 -10.914 99 HG21 THR 13 HG21 THR 13 8.496 -16.753 -13.221 100 HG22 THR 13 HG22 THR 13 8.044 -17.203 -11.577 101 HG23 THR 13 HG23 THR 13 9.737 -17.242 -12.069 102 H GLY 14 H GLY 14 11.054 -12.771 -12.461 103 HA2 GLY 14 HA2 GLY 14 11.593 -13.480 -15.079 104 HA3 GLY 14 HA3 GLY 14 12.314 -12.102 -14.262 105 H TYR 15 H TYR 15 13.675 -13.744 -12.269 106 HA TYR 15 HA TYR 15 16.089 -14.190 -13.691 107 HB2 TYR 15 HB2 TYR 15 15.204 -14.722 -10.867 108 HB3 TYR 15 HB3 TYR 15 16.779 -15.261 -11.438 109 HD1 TYR 15 HD1 TYR 15 15.284 -12.787 -9.630 110 HD2 TYR 15 HD2 TYR 15 17.968 -13.228 -12.902 111 HE1 TYR 15 HE1 TYR 15 16.210 -10.556 -9.163 112 HE2 TYR 15 HE2 TYR 15 18.902 -10.999 -12.444 113 HH TYR 15 HH TYR 15 17.636 -8.735 -11.009 114 H GLY 16 H GLY 16 14.400 -16.569 -11.646 115 HA2 GLY 16 HA2 GLY 16 13.594 -18.574 -13.059 116 HA3 GLY 16 HA3 GLY 16 15.289 -18.660 -13.515 117 H MET 17 H MET 17 15.217 -20.830 -12.634 118 HA MET 17 HA MET 17 14.848 -21.140 -9.787 119 HB2 MET 17 HB2 MET 17 15.858 -23.101 -11.855 120 HB3 MET 17 HB3 MET 17 15.434 -23.495 -10.194 121 HG2 MET 17 HG2 MET 17 13.535 -22.420 -12.267 122 HG3 MET 17 HG3 MET 17 13.681 -24.110 -11.790 123 HE1 MET 17 HE1 MET 17 11.939 -24.893 -11.058 124 HE2 MET 17 HE2 MET 17 11.529 -24.792 -9.346 125 HE3 MET 17 HE3 MET 17 10.547 -23.941 -10.539 126 H GLY 18 H GLY 18 17.589 -21.800 -11.986 127 HA2 GLY 18 HA2 GLY 18 19.435 -21.748 -9.751 128 HA3 GLY 18 HA3 GLY 18 19.836 -22.074 -11.431 129 H VAL 19 H VAL 19 18.270 -19.526 -12.103 130 HA VAL 19 HA VAL 19 20.464 -17.813 -12.372 131 HB VAL 19 HB VAL 19 17.533 -17.079 -12.378 132 HG11 VAL 19 HG11 VAL 19 20.002 -15.606 -13.243 133 HG12 VAL 19 HG12 VAL 19 18.411 -15.229 -13.906 134 HG13 VAL 19 HG13 VAL 19 18.709 -15.061 -12.176 135 HG21 VAL 19 HG21 VAL 19 17.503 -18.422 -14.174 136 HG22 VAL 19 HG22 VAL 19 18.352 -17.102 -14.978 137 HG23 VAL 19 HG23 VAL 19 19.262 -18.453 -14.303 138 H GLN 20 H GLN 20 17.623 -17.310 -10.268 139 HA GLN 20 HA GLN 20 18.869 -15.248 -8.771 140 HB2 GLN 20 HB2 GLN 20 16.930 -15.468 -7.261 141 HB3 GLN 20 HB3 GLN 20 16.451 -15.369 -8.950 142 HG2 GLN 20 HG2 GLN 20 15.102 -17.058 -8.237 143 HG3 GLN 20 HG3 GLN 20 16.496 -17.982 -8.792 144 HE21 GLN 20 HE21 GLN 20 16.214 -19.713 -7.462 145 HE22 GLN 20 HE22 GLN 20 16.385 -19.637 -5.745 146 H LYS 21 H LYS 21 18.816 -18.700 -8.512 147 HA LYS 21 HA LYS 21 19.558 -18.886 -5.771 148 HB2 LYS 21 HB2 LYS 21 18.527 -20.753 -7.006 149 HB3 LYS 21 HB3 LYS 21 19.963 -20.873 -8.015 150 HG2 LYS 21 HG2 LYS 21 21.245 -21.765 -6.319 151 HG3 LYS 21 HG3 LYS 21 20.209 -21.109 -5.049 152 HD2 LYS 21 HD2 LYS 21 19.915 -23.510 -5.203 153 HD3 LYS 21 HD3 LYS 21 18.437 -22.689 -5.711 154 HE2 LYS 21 HE2 LYS 21 18.736 -23.245 -7.930 155 HE3 LYS 21 HE3 LYS 21 20.480 -23.438 -7.755 156 HZ1 LYS 21 HZ1 LYS 21 18.376 -25.367 -7.398 157 HZ2 LYS 21 HZ2 LYS 21 19.493 -25.356 -6.128 158 HZ3 LYS 21 HZ3 LYS 21 20.021 -25.607 -7.716 159 H ALA 22 H ALA 22 21.295 -18.320 -8.715 160 HA ALA 22 HA ALA 22 23.851 -19.163 -8.104 161 HB1 ALA 22 HB1 ALA 22 23.024 -18.140 -10.262 162 HB2 ALA 22 HB2 ALA 22 23.274 -16.566 -9.506 163 HB3 ALA 22 HB3 ALA 22 24.639 -17.657 -9.743 164 H ILE 23 H ILE 23 22.223 -16.175 -7.137 165 HA ILE 23 HA ILE 23 24.509 -15.065 -5.835 166 HB ILE 23 HB ILE 23 21.617 -14.352 -5.353 167 HG12 ILE 23 HG12 ILE 23 23.534 -13.241 -7.413 168 HG13 ILE 23 HG13 ILE 23 22.149 -14.271 -7.757 169 HG21 ILE 23 HG21 ILE 23 23.161 -13.452 -3.706 170 HG22 ILE 23 HG22 ILE 23 24.168 -12.787 -4.991 171 HG23 ILE 23 HG23 ILE 23 22.538 -12.163 -4.737 172 HD11 ILE 23 HD11 ILE 23 22.279 -11.405 -7.252 173 HD12 ILE 23 HD12 ILE 23 21.066 -12.358 -8.108 174 HD13 ILE 23 HD13 ILE 23 21.010 -12.232 -6.350 175 H ASN 24 H ASN 24 22.017 -17.286 -4.923 176 HA ASN 24 HA ASN 24 22.398 -16.965 -2.085 177 HB2 ASN 24 HB2 ASN 24 20.965 -19.148 -3.616 178 HB3 ASN 24 HB3 ASN 24 20.865 -18.869 -1.880 179 HD21 ASN 24 HD21 ASN 24 20.656 -16.137 -1.788 180 HD22 ASN 24 HD22 ASN 24 19.164 -15.649 -2.510 181 H ASP 25 H ASP 25 23.567 -19.086 -4.616 182 HA ASP 25 HA ASP 25 24.623 -21.171 -3.136 183 HB2 ASP 25 HB2 ASP 25 24.546 -20.921 -5.668 184 HB3 ASP 25 HB3 ASP 25 26.014 -19.957 -5.523 185 H ARG 26 H ARG 26 25.806 -17.912 -3.541 186 HA ARG 26 HA ARG 26 28.267 -18.566 -2.092 187 HB2 ARG 26 HB2 ARG 26 27.399 -16.122 -3.634 188 HB3 ARG 26 HB3 ARG 26 28.861 -16.164 -2.657 189 HG2 ARG 26 HG2 ARG 26 29.723 -17.998 -4.026 190 HG3 ARG 26 HG3 ARG 26 28.258 -17.943 -5.010 191 HD2 ARG 26 HD2 ARG 26 29.826 -15.439 -4.650 192 HD3 ARG 26 HD3 ARG 26 30.458 -16.677 -5.734 193 HE ARG 26 HE ARG 26 27.729 -16.138 -6.289 194 HH11 ARG 26 HH11 ARG 26 30.938 -14.852 -6.698 195 HH12 ARG 26 HH12 ARG 26 30.541 -13.966 -8.133 196 HH21 ARG 26 HH21 ARG 26 27.194 -14.976 -8.177 197 HH22 ARG 26 HH22 ARG 26 28.410 -14.036 -8.973 198 H ARG 27 H ARG 27 25.423 -16.469 -1.918 199 HA ARG 27 HA ARG 27 25.800 -16.289 0.976 200 HB2 ARG 27 HB2 ARG 27 25.802 -14.010 -0.942 201 HB3 ARG 27 HB3 ARG 27 24.971 -13.787 0.591 202 HG2 ARG 27 HG2 ARG 27 27.172 -14.672 1.631 203 HG3 ARG 27 HG3 ARG 27 27.872 -14.253 0.066 204 HD2 ARG 27 HD2 ARG 27 26.198 -12.282 1.576 205 HD3 ARG 27 HD3 ARG 27 27.904 -12.500 1.967 206 HE ARG 27 HE ARG 27 27.533 -12.094 -0.819 207 HH11 ARG 27 HH11 ARG 27 27.598 -10.430 2.238 208 HH12 ARG 27 HH12 ARG 27 28.080 -8.914 1.551 209 HH21 ARG 27 HH21 ARG 27 28.167 -10.104 -1.736 210 HH22 ARG 27 HH22 ARG 27 28.402 -8.730 -0.710 211 H LYS 28 H LYS 28 24.040 -17.888 0.728 212 HA LYS 28 HA LYS 28 21.505 -17.107 -0.300 213 HB2 LYS 28 HB2 LYS 28 20.674 -19.136 0.870 214 HB3 LYS 28 HB3 LYS 28 22.065 -19.450 -0.159 215 HG2 LYS 28 HG2 LYS 28 22.728 -20.603 1.668 216 HG3 LYS 28 HG3 LYS 28 23.356 -19.018 2.124 217 HD2 LYS 28 HD2 LYS 28 21.350 -18.590 3.442 218 HD3 LYS 28 HD3 LYS 28 20.686 -20.152 2.959 219 HE2 LYS 28 HE2 LYS 28 21.730 -20.113 5.233 220 HE3 LYS 28 HE3 LYS 28 22.390 -21.327 4.138 221 HZ1 LYS 28 HZ1 LYS 28 24.389 -20.359 4.150 222 HZ2 LYS 28 HZ2 LYS 28 23.861 -19.578 5.554 223 HZ3 LYS 28 HZ3 LYS 28 23.761 -18.791 4.060 224 H LYS 29 H LYS 29 19.559 -17.513 1.381 225 HA LYS 29 HA LYS 29 20.058 -16.022 3.847 226 HB2 LYS 29 HB2 LYS 29 19.257 -14.549 1.835 227 HB3 LYS 29 HB3 LYS 29 17.688 -15.267 2.175 228 HG2 LYS 29 HG2 LYS 29 17.602 -13.331 3.407 229 HG3 LYS 29 HG3 LYS 29 18.156 -14.497 4.611 230 HD2 LYS 29 HD2 LYS 29 20.268 -13.621 4.688 231 HD3 LYS 29 HD3 LYS 29 20.208 -13.049 3.019 232 HE2 LYS 29 HE2 LYS 29 18.662 -11.838 5.308 233 HE3 LYS 29 HE3 LYS 29 20.200 -11.223 4.703 234 HZ1 LYS 29 HZ1 LYS 29 18.864 -11.265 2.450 235 HZ2 LYS 29 HZ2 LYS 29 18.781 -9.946 3.505 236 HZ3 LYS 29 HZ3 LYS 29 17.543 -11.099 3.494 Start of MODEL 12 1 H1 SER 1 H SER 1 2.196 0.078 0.773 2 HA SER 1 HA SER 1 2.760 1.111 -1.915 3 HB2 SER 1 HB2 SER 1 5.034 -0.107 -1.375 4 HB3 SER 1 HB3 SER 1 4.682 1.473 -0.675 5 HG SER 1 HG SER 1 4.864 0.561 1.195 6 H ALA 2 H ALA 2 0.952 -0.410 -2.571 7 HA ALA 2 HA ALA 2 1.266 -3.202 -2.495 8 HB1 ALA 2 HB1 ALA 2 -0.207 -1.532 -4.530 9 HB2 ALA 2 HB2 ALA 2 -0.412 -3.264 -4.265 10 HB3 ALA 2 HB3 ALA 2 -0.864 -2.119 -3.002 11 H ILE 3 H ILE 3 2.542 -0.757 -4.646 12 HA ILE 3 HA ILE 3 3.275 -2.263 -6.844 13 HB ILE 3 HB ILE 3 4.882 -0.029 -5.599 14 HG12 ILE 3 HG12 ILE 3 3.534 1.028 -7.741 15 HG13 ILE 3 HG13 ILE 3 2.348 -0.095 -7.086 16 HG21 ILE 3 HG21 ILE 3 5.798 0.301 -7.822 17 HG22 ILE 3 HG22 ILE 3 6.119 -1.341 -7.266 18 HG23 ILE 3 HG23 ILE 3 4.837 -1.043 -8.438 19 HD11 ILE 3 HD11 ILE 3 3.696 1.638 -5.127 20 HD12 ILE 3 HD12 ILE 3 2.613 2.439 -6.266 21 HD13 ILE 3 HD13 ILE 3 2.008 1.139 -5.239 22 H LEU 4 H LEU 4 4.805 -2.040 -3.693 23 HA LEU 4 HA LEU 4 7.280 -3.148 -4.197 24 HB2 LEU 4 HB2 LEU 4 6.696 -2.270 -2.033 25 HB3 LEU 4 HB3 LEU 4 5.475 -3.521 -1.814 26 HG LEU 4 HG LEU 4 7.406 -5.187 -1.894 27 HD11 LEU 4 HD11 LEU 4 9.599 -4.353 -1.344 28 HD12 LEU 4 HD12 LEU 4 9.005 -2.693 -1.337 29 HD13 LEU 4 HD13 LEU 4 9.050 -3.608 -2.845 30 HD21 LEU 4 HD21 LEU 4 6.173 -4.531 0.146 31 HD22 LEU 4 HD22 LEU 4 7.336 -3.229 0.400 32 HD23 LEU 4 HD23 LEU 4 7.868 -4.910 0.457 33 H ALA 5 H ALA 5 4.183 -4.779 -3.734 34 HA ALA 5 HA ALA 5 5.320 -7.413 -3.877 35 HB1 ALA 5 HB1 ALA 5 3.207 -6.804 -2.646 36 HB2 ALA 5 HB2 ALA 5 2.421 -6.688 -4.221 37 HB3 ALA 5 HB3 ALA 5 3.103 -8.224 -3.687 38 H ILE 6 H ILE 6 4.114 -5.086 -6.135 39 HA ILE 6 HA ILE 6 3.649 -6.955 -8.268 40 HB ILE 6 HB ILE 6 3.949 -3.950 -8.366 41 HG12 ILE 6 HG12 ILE 6 1.384 -5.515 -8.547 42 HG13 ILE 6 HG13 ILE 6 2.038 -5.008 -6.994 43 HG21 ILE 6 HG21 ILE 6 2.433 -4.593 -10.502 44 HG22 ILE 6 HG22 ILE 6 4.181 -4.380 -10.564 45 HG23 ILE 6 HG23 ILE 6 3.495 -5.998 -10.429 46 HD11 ILE 6 HD11 ILE 6 2.107 -2.687 -8.416 47 HD12 ILE 6 HD12 ILE 6 0.654 -3.467 -9.044 48 HD13 ILE 6 HD13 ILE 6 0.819 -3.172 -7.313 49 H THR 7 H THR 7 5.987 -4.274 -7.966 50 HA THR 7 HA THR 7 7.624 -4.967 -10.082 51 HB THR 7 HB THR 7 7.776 -2.838 -8.788 52 HG1 THR 7 HG1 THR 7 9.564 -3.939 -10.141 53 HG21 THR 7 HG21 THR 7 9.159 -2.775 -6.774 54 HG22 THR 7 HG22 THR 7 9.327 -4.530 -6.824 55 HG23 THR 7 HG23 THR 7 7.747 -3.803 -6.532 56 H LEU 8 H LEU 8 7.494 -6.298 -6.855 57 HA LEU 8 HA LEU 8 9.981 -7.719 -7.066 58 HB2 LEU 8 HB2 LEU 8 8.927 -6.958 -4.921 59 HB3 LEU 8 HB3 LEU 8 7.715 -8.217 -5.146 60 HG LEU 8 HG LEU 8 10.586 -9.006 -5.122 61 HD11 LEU 8 HD11 LEU 8 9.256 -8.952 -2.497 62 HD12 LEU 8 HD12 LEU 8 9.769 -7.387 -3.128 63 HD13 LEU 8 HD13 LEU 8 10.946 -8.684 -2.924 64 HD21 LEU 8 HD21 LEU 8 7.994 -10.239 -4.207 65 HD22 LEU 8 HD22 LEU 8 9.579 -10.967 -3.940 66 HD23 LEU 8 HD23 LEU 8 8.988 -10.717 -5.584 67 H GLY 9 H GLY 9 6.559 -8.735 -7.000 68 HA2 GLY 9 HA2 GLY 9 6.947 -11.438 -7.510 69 HA3 GLY 9 HA3 GLY 9 5.506 -10.537 -7.957 70 H ILE 10 H ILE 10 6.714 -8.755 -9.799 71 HA ILE 10 HA ILE 10 6.774 -10.455 -12.106 72 HB ILE 10 HB ILE 10 7.281 -7.485 -11.891 73 HG12 ILE 10 HG12 ILE 10 5.042 -8.068 -11.135 74 HG13 ILE 10 HG13 ILE 10 4.951 -7.284 -12.708 75 HG21 ILE 10 HG21 ILE 10 6.394 -7.857 -14.400 76 HG22 ILE 10 HG22 ILE 10 8.102 -7.837 -13.964 77 HG23 ILE 10 HG23 ILE 10 7.259 -9.374 -14.155 78 HD11 ILE 10 HD11 ILE 10 5.011 -9.784 -13.552 79 HD12 ILE 10 HD12 ILE 10 4.358 -10.081 -11.941 80 HD13 ILE 10 HD13 ILE 10 3.513 -9.002 -13.051 81 H PHE 11 H PHE 11 9.136 -8.974 -10.060 82 HA PHE 11 HA PHE 11 11.294 -9.225 -11.965 83 HB2 PHE 11 HB2 PHE 11 11.314 -7.397 -10.331 84 HB3 PHE 11 HB3 PHE 11 11.339 -8.565 -9.013 85 HD1 PHE 11 HD1 PHE 11 13.352 -9.583 -8.312 86 HD2 PHE 11 HD2 PHE 11 13.277 -7.197 -11.836 87 HE1 PHE 11 HE1 PHE 11 15.811 -9.601 -8.372 88 HE2 PHE 11 HE2 PHE 11 15.736 -7.211 -11.902 89 HZ PHE 11 HZ PHE 11 17.007 -8.415 -10.169 90 H ALA 12 H ALA 12 9.865 -11.109 -9.436 91 HA ALA 12 HA ALA 12 12.032 -12.816 -8.853 92 HB1 ALA 12 HB1 ALA 12 10.591 -13.518 -7.323 93 HB2 ALA 12 HB2 ALA 12 9.308 -12.583 -8.094 94 HB3 ALA 12 HB3 ALA 12 9.599 -14.252 -8.583 95 H THR 13 H THR 13 9.144 -13.519 -10.834 96 HA THR 13 HA THR 13 10.107 -15.902 -11.932 97 HB THR 13 HB THR 13 8.279 -14.135 -13.517 98 HG1 THR 13 HG1 THR 13 7.442 -15.629 -11.243 99 HG21 THR 13 HG21 THR 13 8.982 -16.460 -14.234 100 HG22 THR 13 HG22 THR 13 7.243 -16.178 -14.140 101 HG23 THR 13 HG23 THR 13 8.064 -17.066 -12.857 102 H GLY 14 H GLY 14 10.781 -12.601 -12.737 103 HA2 GLY 14 HA2 GLY 14 11.579 -12.829 -15.400 104 HA3 GLY 14 HA3 GLY 14 12.221 -11.660 -14.256 105 H TYR 15 H TYR 15 13.203 -13.837 -12.486 106 HA TYR 15 HA TYR 15 15.700 -14.304 -13.920 107 HB2 TYR 15 HB2 TYR 15 14.882 -14.282 -11.048 108 HB3 TYR 15 HB3 TYR 15 16.293 -15.227 -11.510 109 HD1 TYR 15 HD1 TYR 15 18.143 -14.067 -10.722 110 HD2 TYR 15 HD2 TYR 15 15.080 -11.928 -12.759 111 HE1 TYR 15 HE1 TYR 15 19.528 -12.035 -10.659 112 HE2 TYR 15 HE2 TYR 15 16.457 -9.891 -12.703 113 HH TYR 15 HH TYR 15 18.279 -8.929 -11.629 114 H GLY 16 H GLY 16 13.874 -16.285 -11.583 115 HA2 GLY 16 HA2 GLY 16 12.909 -18.382 -12.737 116 HA3 GLY 16 HA3 GLY 16 14.588 -18.651 -13.182 117 H MET 17 H MET 17 14.330 -20.690 -12.039 118 HA MET 17 HA MET 17 13.997 -20.607 -9.171 119 HB2 MET 17 HB2 MET 17 13.142 -22.498 -10.513 120 HB3 MET 17 HB3 MET 17 14.791 -22.908 -10.965 121 HG2 MET 17 HG2 MET 17 15.309 -23.277 -8.576 122 HG3 MET 17 HG3 MET 17 13.613 -22.980 -8.199 123 HE1 MET 17 HE1 MET 17 15.272 -25.608 -7.383 124 HE2 MET 17 HE2 MET 17 15.178 -26.957 -8.515 125 HE3 MET 17 HE3 MET 17 16.217 -25.576 -8.872 126 H GLY 18 H GLY 18 16.612 -21.794 -11.301 127 HA2 GLY 18 HA2 GLY 18 18.507 -21.639 -9.113 128 HA3 GLY 18 HA3 GLY 18 18.835 -22.209 -10.743 129 H VAL 19 H VAL 19 17.498 -19.628 -11.714 130 HA VAL 19 HA VAL 19 19.842 -18.177 -12.210 131 HB VAL 19 HB VAL 19 17.017 -17.110 -12.295 132 HG11 VAL 19 HG11 VAL 19 19.617 -16.197 -13.490 133 HG12 VAL 19 HG12 VAL 19 18.059 -15.712 -14.162 134 HG13 VAL 19 HG13 VAL 19 18.475 -15.285 -12.502 135 HG21 VAL 19 HG21 VAL 19 16.678 -18.686 -13.844 136 HG22 VAL 19 HG22 VAL 19 17.746 -17.732 -14.873 137 HG23 VAL 19 HG23 VAL 19 18.394 -19.082 -13.942 138 H GLN 20 H GLN 20 17.076 -17.147 -10.200 139 HA GLN 20 HA GLN 20 18.485 -15.012 -8.993 140 HB2 GLN 20 HB2 GLN 20 16.578 -14.889 -7.449 141 HB3 GLN 20 HB3 GLN 20 16.051 -15.030 -9.121 142 HG2 GLN 20 HG2 GLN 20 14.638 -16.488 -8.055 143 HG3 GLN 20 HG3 GLN 20 15.923 -17.566 -8.596 144 HE21 GLN 20 HE21 GLN 20 15.438 -19.072 -6.999 145 HE22 GLN 20 HE22 GLN 20 15.842 -18.813 -5.340 146 H LYS 21 H LYS 21 18.235 -18.391 -8.278 147 HA LYS 21 HA LYS 21 18.980 -18.312 -5.552 148 HB2 LYS 21 HB2 LYS 21 17.961 -20.270 -6.772 149 HB3 LYS 21 HB3 LYS 21 19.535 -20.546 -7.506 150 HG2 LYS 21 HG2 LYS 21 20.437 -20.683 -5.128 151 HG3 LYS 21 HG3 LYS 21 18.749 -20.802 -4.624 152 HD2 LYS 21 HD2 LYS 21 20.143 -22.648 -6.563 153 HD3 LYS 21 HD3 LYS 21 19.781 -23.013 -4.874 154 HE2 LYS 21 HE2 LYS 21 17.333 -22.420 -5.589 155 HE3 LYS 21 HE3 LYS 21 17.935 -22.771 -7.209 156 HZ1 LYS 21 HZ1 LYS 21 18.760 -24.798 -5.434 157 HZ2 LYS 21 HZ2 LYS 21 17.768 -24.925 -6.798 158 HZ3 LYS 21 HZ3 LYS 21 17.088 -24.584 -5.287 159 H ALA 22 H ALA 22 20.776 -18.043 -8.500 160 HA ALA 22 HA ALA 22 23.311 -18.846 -7.768 161 HB1 ALA 22 HB1 ALA 22 22.567 -18.043 -10.027 162 HB2 ALA 22 HB2 ALA 22 22.746 -16.395 -9.422 163 HB3 ALA 22 HB3 ALA 22 24.149 -17.461 -9.508 164 H ILE 23 H ILE 23 21.701 -15.764 -7.112 165 HA ILE 23 HA ILE 23 23.996 -14.625 -5.813 166 HB ILE 23 HB ILE 23 21.138 -13.673 -5.647 167 HG12 ILE 23 HG12 ILE 23 21.864 -13.919 -7.998 168 HG13 ILE 23 HG13 ILE 23 21.633 -12.233 -7.550 169 HG21 ILE 23 HG21 ILE 23 22.433 -12.581 -4.010 170 HG22 ILE 23 HG22 ILE 23 23.801 -12.391 -5.106 171 HG23 ILE 23 HG23 ILE 23 22.330 -11.452 -5.361 172 HD11 ILE 23 HD11 ILE 23 23.723 -11.740 -8.082 173 HD12 ILE 23 HD12 ILE 23 24.353 -13.058 -7.093 174 HD13 ILE 23 HD13 ILE 23 23.860 -13.363 -8.759 175 H ASN 24 H ASN 24 21.321 -16.591 -4.869 176 HA ASN 24 HA ASN 24 21.483 -15.951 -2.064 177 HB2 ASN 24 HB2 ASN 24 19.943 -17.964 -3.683 178 HB3 ASN 24 HB3 ASN 24 19.979 -18.061 -1.924 179 HD21 ASN 24 HD21 ASN 24 19.350 -15.784 -4.560 180 HD22 ASN 24 HD22 ASN 24 18.074 -14.939 -3.757 181 H ASP 25 H ASP 25 22.948 -18.205 -4.239 182 HA ASP 25 HA ASP 25 23.823 -20.032 -2.190 183 HB2 ASP 25 HB2 ASP 25 23.401 -20.491 -4.730 184 HB3 ASP 25 HB3 ASP 25 25.048 -19.897 -4.924 185 H ARG 26 H ARG 26 24.845 -17.018 -3.316 186 HA ARG 26 HA ARG 26 27.652 -17.437 -2.673 187 HB2 ARG 26 HB2 ARG 26 26.076 -15.144 -3.805 188 HB3 ARG 26 HB3 ARG 26 27.710 -14.900 -3.203 189 HG2 ARG 26 HG2 ARG 26 27.048 -16.977 -5.267 190 HG3 ARG 26 HG3 ARG 26 27.460 -15.313 -5.684 191 HD2 ARG 26 HD2 ARG 26 29.564 -15.649 -4.300 192 HD3 ARG 26 HD3 ARG 26 29.168 -17.367 -4.304 193 HE ARG 26 HE ARG 26 29.103 -16.693 -6.930 194 HH11 ARG 26 HH11 ARG 26 31.458 -16.305 -4.396 195 HH12 ARG 26 HH12 ARG 26 32.817 -16.393 -5.467 196 HH21 ARG 26 HH21 ARG 26 30.883 -16.810 -8.350 197 HH22 ARG 26 HH22 ARG 26 32.489 -16.679 -7.716 198 H ARG 27 H ARG 27 24.957 -15.406 -1.542 199 HA ARG 27 HA ARG 27 26.000 -15.528 1.162 200 HB2 ARG 27 HB2 ARG 27 25.973 -13.034 -0.486 201 HB3 ARG 27 HB3 ARG 27 25.623 -12.920 1.234 202 HG2 ARG 27 HG2 ARG 27 28.114 -14.127 0.048 203 HG3 ARG 27 HG3 ARG 27 27.984 -12.500 0.719 204 HD2 ARG 27 HD2 ARG 27 28.680 -13.478 2.618 205 HD3 ARG 27 HD3 ARG 27 26.996 -13.982 2.762 206 HE ARG 27 HE ARG 27 28.459 -15.866 1.244 207 HH11 ARG 27 HH11 ARG 27 28.012 -14.737 4.507 208 HH12 ARG 27 HH12 ARG 27 28.436 -16.254 5.228 209 HH21 ARG 27 HH21 ARG 27 29.019 -17.868 2.182 210 HH22 ARG 27 HH22 ARG 27 29.010 -18.034 3.905 211 H LYS 28 H LYS 28 23.603 -16.372 -0.377 212 HA LYS 28 HA LYS 28 21.342 -16.481 -0.142 213 HB2 LYS 28 HB2 LYS 28 21.946 -15.385 2.611 214 HB3 LYS 28 HB3 LYS 28 20.460 -16.191 2.126 215 HG2 LYS 28 HG2 LYS 28 23.110 -17.566 1.897 216 HG3 LYS 28 HG3 LYS 28 22.217 -17.535 3.420 217 HD2 LYS 28 HD2 LYS 28 20.229 -18.373 1.978 218 HD3 LYS 28 HD3 LYS 28 21.481 -18.820 0.816 219 HE2 LYS 28 HE2 LYS 28 21.398 -20.758 2.004 220 HE3 LYS 28 HE3 LYS 28 22.571 -19.887 2.992 221 HZ1 LYS 28 HZ1 LYS 28 19.875 -19.337 3.767 222 HZ2 LYS 28 HZ2 LYS 28 21.179 -19.864 4.707 223 HZ3 LYS 28 HZ3 LYS 28 20.234 -20.987 3.866 224 H LYS 29 H LYS 29 22.324 -14.143 -1.380 225 HA LYS 29 HA LYS 29 20.387 -12.117 -0.469 226 HB2 LYS 29 HB2 LYS 29 23.111 -11.901 -1.676 227 HB3 LYS 29 HB3 LYS 29 21.940 -10.633 -2.012 228 HG2 LYS 29 HG2 LYS 29 21.845 -9.954 0.199 229 HG3 LYS 29 HG3 LYS 29 22.471 -11.490 0.802 230 HD2 LYS 29 HD2 LYS 29 24.275 -10.033 1.044 231 HD3 LYS 29 HD3 LYS 29 24.622 -10.867 -0.472 232 HE2 LYS 29 HE2 LYS 29 23.131 -8.267 -0.443 233 HE3 LYS 29 HE3 LYS 29 24.892 -8.302 -0.371 234 HZ1 LYS 29 HZ1 LYS 29 24.672 -8.267 -2.596 235 HZ2 LYS 29 HZ2 LYS 29 23.114 -8.925 -2.582 236 HZ3 LYS 29 HZ3 LYS 29 24.460 -9.936 -2.416 Start of MODEL 13 1 H1 SER 1 H SER 1 3.131 2.449 -1.918 2 HA SER 1 HA SER 1 0.373 2.134 -2.746 3 HB2 SER 1 HB2 SER 1 2.785 2.023 -4.551 4 HB3 SER 1 HB3 SER 1 1.136 2.500 -4.956 5 HG SER 1 HG SER 1 2.863 4.193 -4.561 6 H ALA 2 H ALA 2 -0.330 0.410 -4.157 7 HA ALA 2 HA ALA 2 0.459 -2.156 -3.192 8 HB1 ALA 2 HB1 ALA 2 -1.569 -2.709 -3.900 9 HB2 ALA 2 HB2 ALA 2 -1.762 -1.076 -4.538 10 HB3 ALA 2 HB3 ALA 2 -1.121 -2.355 -5.569 11 H ILE 3 H ILE 3 1.272 -0.226 -5.966 12 HA ILE 3 HA ILE 3 2.157 -2.105 -7.781 13 HB ILE 3 HB ILE 3 3.481 0.541 -7.174 14 HG12 ILE 3 HG12 ILE 3 1.271 -0.151 -9.122 15 HG13 ILE 3 HG13 ILE 3 1.075 0.767 -7.633 16 HG21 ILE 3 HG21 ILE 3 4.300 0.441 -9.461 17 HG22 ILE 3 HG22 ILE 3 4.858 -0.957 -8.542 18 HG23 ILE 3 HG23 ILE 3 3.526 -1.128 -9.685 19 HD11 ILE 3 HD11 ILE 3 2.511 2.522 -8.524 20 HD12 ILE 3 HD12 ILE 3 2.714 1.600 -10.014 21 HD13 ILE 3 HD13 ILE 3 1.125 2.224 -9.573 22 H LEU 4 H LEU 4 3.687 -0.998 -4.832 23 HA LEU 4 HA LEU 4 6.287 -1.851 -5.186 24 HB2 LEU 4 HB2 LEU 4 5.083 -0.693 -3.179 25 HB3 LEU 4 HB3 LEU 4 4.902 -2.342 -2.585 26 HG LEU 4 HG LEU 4 7.617 -1.397 -3.371 27 HD11 LEU 4 HD11 LEU 4 7.911 -0.587 -1.014 28 HD12 LEU 4 HD12 LEU 4 6.154 -0.606 -0.863 29 HD13 LEU 4 HD13 LEU 4 6.926 0.449 -2.047 30 HD21 LEU 4 HD21 LEU 4 6.970 -2.976 -0.938 31 HD22 LEU 4 HD22 LEU 4 8.350 -3.092 -2.031 32 HD23 LEU 4 HD23 LEU 4 6.787 -3.754 -2.511 33 H ALA 5 H ALA 5 3.451 -3.740 -4.248 34 HA ALA 5 HA ALA 5 4.940 -6.169 -3.884 35 HB1 ALA 5 HB1 ALA 5 2.631 -5.417 -2.876 36 HB2 ALA 5 HB2 ALA 5 1.997 -6.190 -4.330 37 HB3 ALA 5 HB3 ALA 5 2.975 -7.118 -3.193 38 H ILE 6 H ILE 6 3.387 -4.565 -6.529 39 HA ILE 6 HA ILE 6 3.151 -6.890 -8.196 40 HB ILE 6 HB ILE 6 3.050 -3.965 -8.942 41 HG12 ILE 6 HG12 ILE 6 0.714 -5.845 -8.671 42 HG13 ILE 6 HG13 ILE 6 1.315 -4.924 -7.297 43 HG21 ILE 6 HG21 ILE 6 2.763 -6.467 -10.494 44 HG22 ILE 6 HG22 ILE 6 1.623 -5.170 -10.848 45 HG23 ILE 6 HG23 ILE 6 3.358 -4.884 -10.992 46 HD11 ILE 6 HD11 ILE 6 -0.288 -4.069 -9.578 47 HD12 ILE 6 HD12 ILE 6 -0.147 -3.380 -7.960 48 HD13 ILE 6 HD13 ILE 6 1.052 -2.990 -9.193 49 H THR 7 H THR 7 5.117 -3.934 -8.568 50 HA THR 7 HA THR 7 6.801 -4.847 -10.558 51 HB THR 7 HB THR 7 6.698 -2.493 -9.736 52 HG1 THR 7 HG1 THR 7 9.007 -2.171 -9.999 53 HG21 THR 7 HG21 THR 7 8.140 -1.862 -7.839 54 HG22 THR 7 HG22 THR 7 8.436 -3.570 -7.513 55 HG23 THR 7 HG23 THR 7 6.811 -2.908 -7.341 56 H LEU 8 H LEU 8 6.896 -5.481 -7.124 57 HA LEU 8 HA LEU 8 9.543 -6.570 -7.110 58 HB2 LEU 8 HB2 LEU 8 8.363 -5.592 -5.128 59 HB3 LEU 8 HB3 LEU 8 7.339 -7.026 -5.108 60 HG LEU 8 HG LEU 8 10.288 -7.405 -4.974 61 HD11 LEU 8 HD11 LEU 8 8.920 -7.011 -2.392 62 HD12 LEU 8 HD12 LEU 8 9.273 -5.552 -3.317 63 HD13 LEU 8 HD13 LEU 8 10.579 -6.650 -2.870 64 HD21 LEU 8 HD21 LEU 8 8.538 -8.848 -3.150 65 HD22 LEU 8 HD22 LEU 8 9.718 -9.458 -4.310 66 HD23 LEU 8 HD23 LEU 8 8.086 -9.051 -4.842 67 H GLY 9 H GLY 9 6.319 -8.067 -6.750 68 HA2 GLY 9 HA2 GLY 9 7.117 -10.722 -6.800 69 HA3 GLY 9 HA3 GLY 9 5.551 -10.145 -7.352 70 H ILE 10 H ILE 10 6.353 -8.601 -9.536 71 HA ILE 10 HA ILE 10 6.667 -10.628 -11.507 72 HB ILE 10 HB ILE 10 6.820 -7.627 -11.818 73 HG12 ILE 10 HG12 ILE 10 4.675 -8.339 -10.900 74 HG13 ILE 10 HG13 ILE 10 4.475 -7.831 -12.574 75 HG21 ILE 10 HG21 ILE 10 6.105 -8.269 -14.202 76 HG22 ILE 10 HG22 ILE 10 7.795 -8.489 -13.749 77 HG23 ILE 10 HG23 ILE 10 6.707 -9.876 -13.795 78 HD11 ILE 10 HD11 ILE 10 4.902 -10.482 -12.889 79 HD12 ILE 10 HD12 ILE 10 4.069 -10.450 -11.334 80 HD13 ILE 10 HD13 ILE 10 3.312 -9.730 -12.755 81 H PHE 11 H PHE 11 8.856 -8.542 -9.824 82 HA PHE 11 HA PHE 11 11.009 -8.880 -11.722 83 HB2 PHE 11 HB2 PHE 11 10.800 -6.799 -10.417 84 HB3 PHE 11 HB3 PHE 11 11.034 -7.714 -8.930 85 HD1 PHE 11 HD1 PHE 11 12.717 -7.182 -12.218 86 HD2 PHE 11 HD2 PHE 11 13.137 -7.742 -8.020 87 HE1 PHE 11 HE1 PHE 11 15.150 -6.883 -12.425 88 HE2 PHE 11 HE2 PHE 11 15.571 -7.442 -8.220 89 HZ PHE 11 HZ PHE 11 16.580 -7.012 -10.425 90 H ALA 12 H ALA 12 9.837 -10.436 -8.862 91 HA ALA 12 HA ALA 12 12.222 -11.761 -8.096 92 HB1 ALA 12 HB1 ALA 12 9.529 -11.641 -7.201 93 HB2 ALA 12 HB2 ALA 12 9.980 -13.338 -7.373 94 HB3 ALA 12 HB3 ALA 12 10.945 -12.268 -6.357 95 H THR 13 H THR 13 9.317 -13.116 -9.671 96 HA THR 13 HA THR 13 10.508 -15.553 -10.386 97 HB THR 13 HB THR 13 8.325 -14.379 -12.067 98 HG1 THR 13 HG1 THR 13 6.850 -14.714 -10.435 99 HG21 THR 13 HG21 THR 13 8.242 -16.504 -12.736 100 HG22 THR 13 HG22 THR 13 7.713 -16.949 -11.113 101 HG23 THR 13 HG23 THR 13 9.428 -16.978 -11.521 102 H GLY 14 H GLY 14 10.650 -12.418 -11.848 103 HA2 GLY 14 HA2 GLY 14 11.192 -12.982 -14.498 104 HA3 GLY 14 HA3 GLY 14 11.890 -11.632 -13.615 105 H TYR 15 H TYR 15 13.286 -13.363 -11.714 106 HA TYR 15 HA TYR 15 15.656 -13.795 -13.284 107 HB2 TYR 15 HB2 TYR 15 14.970 -13.935 -10.376 108 HB3 TYR 15 HB3 TYR 15 16.447 -14.706 -10.942 109 HD1 TYR 15 HD1 TYR 15 15.116 -11.751 -9.655 110 HD2 TYR 15 HD2 TYR 15 17.916 -13.144 -12.540 111 HE1 TYR 15 HE1 TYR 15 16.272 -9.581 -9.573 112 HE2 TYR 15 HE2 TYR 15 19.080 -10.979 -12.465 113 HH TYR 15 HH TYR 15 19.343 -9.079 -11.015 114 H GLY 16 H GLY 16 14.253 -15.985 -10.858 115 HA2 GLY 16 HA2 GLY 16 13.330 -18.128 -11.956 116 HA3 GLY 16 HA3 GLY 16 14.951 -18.231 -12.628 117 H MET 17 H MET 17 13.571 -20.104 -10.868 118 HA MET 17 HA MET 17 14.277 -20.018 -8.217 119 HB2 MET 17 HB2 MET 17 12.929 -21.803 -9.378 120 HB3 MET 17 HB3 MET 17 14.447 -22.505 -9.922 121 HG2 MET 17 HG2 MET 17 15.100 -23.050 -7.729 122 HG3 MET 17 HG3 MET 17 13.846 -22.035 -7.022 123 HE1 MET 17 HE1 MET 17 14.886 -24.880 -6.585 124 HE2 MET 17 HE2 MET 17 13.401 -25.121 -5.665 125 HE3 MET 17 HE3 MET 17 13.799 -26.208 -6.997 126 H GLY 18 H GLY 18 16.248 -21.299 -10.896 127 HA2 GLY 18 HA2 GLY 18 18.529 -21.647 -9.137 128 HA3 GLY 18 HA3 GLY 18 18.466 -22.020 -10.853 129 H VAL 19 H VAL 19 17.446 -19.371 -11.573 130 HA VAL 19 HA VAL 19 19.847 -18.079 -12.137 131 HB VAL 19 HB VAL 19 17.077 -16.881 -11.983 132 HG11 VAL 19 HG11 VAL 19 19.627 -15.845 -13.208 133 HG12 VAL 19 HG12 VAL 19 18.027 -15.198 -13.576 134 HG13 VAL 19 HG13 VAL 19 18.663 -15.099 -11.934 135 HG21 VAL 19 HG21 VAL 19 16.728 -18.290 -13.695 136 HG22 VAL 19 HG22 VAL 19 17.697 -17.145 -14.623 137 HG23 VAL 19 HG23 VAL 19 18.451 -18.583 -13.934 138 H GLN 20 H GLN 20 17.342 -16.917 -9.872 139 HA GLN 20 HA GLN 20 19.014 -14.986 -8.671 140 HB2 GLN 20 HB2 GLN 20 17.258 -14.795 -6.975 141 HB3 GLN 20 HB3 GLN 20 16.575 -14.832 -8.595 142 HG2 GLN 20 HG2 GLN 20 15.209 -16.414 -7.868 143 HG3 GLN 20 HG3 GLN 20 16.606 -17.487 -7.819 144 HE21 GLN 20 HE21 GLN 20 15.739 -18.649 -6.098 145 HE22 GLN 20 HE22 GLN 20 15.702 -18.017 -4.491 146 H LYS 21 H LYS 21 18.667 -18.373 -8.197 147 HA LYS 21 HA LYS 21 19.718 -18.433 -5.524 148 HB2 LYS 21 HB2 LYS 21 18.254 -20.216 -6.228 149 HB3 LYS 21 HB3 LYS 21 19.301 -20.600 -7.587 150 HG2 LYS 21 HG2 LYS 21 20.812 -21.707 -6.295 151 HG3 LYS 21 HG3 LYS 21 20.469 -20.732 -4.864 152 HD2 LYS 21 HD2 LYS 21 19.685 -23.033 -4.585 153 HD3 LYS 21 HD3 LYS 21 18.338 -21.891 -4.576 154 HE2 LYS 21 HE2 LYS 21 17.788 -23.848 -5.906 155 HE3 LYS 21 HE3 LYS 21 17.892 -22.417 -6.929 156 HZ1 LYS 21 HZ1 LYS 21 19.709 -23.194 -7.992 157 HZ2 LYS 21 HZ2 LYS 21 19.078 -24.694 -7.534 158 HZ3 LYS 21 HZ3 LYS 21 20.325 -23.991 -6.633 159 H ALA 22 H ALA 22 21.023 -18.419 -8.727 160 HA ALA 22 HA ALA 22 23.473 -19.648 -8.420 161 HB1 ALA 22 HB1 ALA 22 22.502 -18.674 -10.527 162 HB2 ALA 22 HB2 ALA 22 23.078 -17.101 -9.973 163 HB3 ALA 22 HB3 ALA 22 24.228 -18.401 -10.290 164 H ILE 23 H ILE 23 22.538 -16.352 -7.535 165 HA ILE 23 HA ILE 23 25.165 -15.612 -6.666 166 HB ILE 23 HB ILE 23 22.549 -14.275 -5.971 167 HG12 ILE 23 HG12 ILE 23 24.405 -13.744 -8.302 168 HG13 ILE 23 HG13 ILE 23 22.828 -14.517 -8.414 169 HG21 ILE 23 HG21 ILE 23 23.956 -12.277 -5.691 170 HG22 ILE 23 HG22 ILE 23 24.400 -13.568 -4.577 171 HG23 ILE 23 HG23 ILE 23 25.388 -13.258 -6.004 172 HD11 ILE 23 HD11 ILE 23 21.837 -12.420 -7.485 173 HD12 ILE 23 HD12 ILE 23 23.427 -11.675 -7.651 174 HD13 ILE 23 HD13 ILE 23 22.574 -12.259 -9.079 175 H ASN 24 H ASN 24 22.442 -17.186 -5.231 176 HA ASN 24 HA ASN 24 23.238 -16.682 -2.509 177 HB2 ASN 24 HB2 ASN 24 21.150 -18.455 -3.771 178 HB3 ASN 24 HB3 ASN 24 21.467 -18.470 -2.039 179 HD21 ASN 24 HD21 ASN 24 21.025 -16.047 -4.598 180 HD22 ASN 24 HD22 ASN 24 19.923 -15.061 -3.705 181 H ASP 25 H ASP 25 23.798 -19.120 -4.923 182 HA ASP 25 HA ASP 25 24.546 -21.301 -3.397 183 HB2 ASP 25 HB2 ASP 25 24.386 -21.107 -5.943 184 HB3 ASP 25 HB3 ASP 25 26.027 -20.470 -5.888 185 H ARG 26 H ARG 26 26.251 -18.318 -3.979 186 HA ARG 26 HA ARG 26 28.646 -19.352 -2.647 187 HB2 ARG 26 HB2 ARG 26 28.144 -16.768 -4.132 188 HB3 ARG 26 HB3 ARG 26 29.660 -17.175 -3.340 189 HG2 ARG 26 HG2 ARG 26 30.108 -18.915 -4.853 190 HG3 ARG 26 HG3 ARG 26 28.453 -18.915 -5.464 191 HD2 ARG 26 HD2 ARG 26 29.962 -17.865 -7.058 192 HD3 ARG 26 HD3 ARG 26 28.808 -16.693 -6.422 193 HE ARG 26 HE ARG 26 31.084 -16.545 -4.838 194 HH11 ARG 26 HH11 ARG 26 30.189 -15.979 -8.154 195 HH12 ARG 26 HH12 ARG 26 31.386 -14.752 -8.404 196 HH21 ARG 26 HH21 ARG 26 32.663 -14.930 -5.154 197 HH22 ARG 26 HH22 ARG 26 32.793 -14.156 -6.697 198 H ARG 27 H ARG 27 26.343 -16.652 -2.435 199 HA ARG 27 HA ARG 27 26.866 -16.532 0.449 200 HB2 ARG 27 HB2 ARG 27 26.837 -14.183 -1.450 201 HB3 ARG 27 HB3 ARG 27 26.719 -14.023 0.297 202 HG2 ARG 27 HG2 ARG 27 28.906 -15.022 0.570 203 HG3 ARG 27 HG3 ARG 27 29.022 -15.290 -1.170 204 HD2 ARG 27 HD2 ARG 27 29.223 -13.010 -1.628 205 HD3 ARG 27 HD3 ARG 27 28.575 -12.544 -0.056 206 HE ARG 27 HE ARG 27 30.904 -13.913 0.471 207 HH11 ARG 27 HH11 ARG 27 29.994 -11.062 -1.307 208 HH12 ARG 27 HH12 ARG 27 31.509 -10.261 -1.053 209 HH21 ARG 27 HH21 ARG 27 32.903 -12.869 0.813 210 HH22 ARG 27 HH22 ARG 27 33.163 -11.291 0.152 211 H LYS 28 H LYS 28 24.825 -17.815 0.271 212 HA LYS 28 HA LYS 28 22.416 -16.838 -0.689 213 HB2 LYS 28 HB2 LYS 28 21.331 -18.390 0.827 214 HB3 LYS 28 HB3 LYS 28 22.765 -19.140 0.140 215 HG2 LYS 28 HG2 LYS 28 23.313 -17.773 2.644 216 HG3 LYS 28 HG3 LYS 28 22.097 -19.042 2.805 217 HD2 LYS 28 HD2 LYS 28 24.529 -19.679 1.231 218 HD3 LYS 28 HD3 LYS 28 24.713 -19.528 2.980 219 HE2 LYS 28 HE2 LYS 28 24.236 -21.781 2.707 220 HE3 LYS 28 HE3 LYS 28 22.659 -21.093 3.093 221 HZ1 LYS 28 HZ1 LYS 28 23.089 -22.693 1.020 222 HZ2 LYS 28 HZ2 LYS 28 23.346 -21.198 0.273 223 HZ3 LYS 28 HZ3 LYS 28 21.873 -21.517 1.042 224 H LYS 29 H LYS 29 20.584 -15.925 0.446 225 HA LYS 29 HA LYS 29 19.603 -14.256 1.641 226 HB2 LYS 29 HB2 LYS 29 21.577 -14.913 3.824 227 HB3 LYS 29 HB3 LYS 29 19.962 -14.241 3.998 228 HG2 LYS 29 HG2 LYS 29 19.161 -16.447 2.945 229 HG3 LYS 29 HG3 LYS 29 20.773 -17.046 3.347 230 HD2 LYS 29 HD2 LYS 29 18.983 -15.722 5.371 231 HD3 LYS 29 HD3 LYS 29 18.944 -17.460 5.061 232 HE2 LYS 29 HE2 LYS 29 20.430 -17.350 6.813 233 HE3 LYS 29 HE3 LYS 29 21.525 -17.286 5.433 234 HZ1 LYS 29 HZ1 LYS 29 20.601 -14.698 6.260 235 HZ2 LYS 29 HZ2 LYS 29 22.177 -15.240 5.971 236 HZ3 LYS 29 HZ3 LYS 29 21.454 -15.506 7.478 Start of MODEL 14 1 H1 SER 1 H SER 1 1.938 2.827 -0.748 2 HA SER 1 HA SER 1 1.924 2.257 -3.296 3 HB2 SER 1 HB2 SER 1 4.210 1.949 -1.380 4 HB3 SER 1 HB3 SER 1 4.446 1.573 -3.086 5 HG SER 1 HG SER 1 4.247 3.633 -3.586 6 H ALA 2 H ALA 2 0.333 0.359 -3.079 7 HA ALA 2 HA ALA 2 1.162 -2.242 -2.519 8 HB1 ALA 2 HB1 ALA 2 -0.870 -2.886 -3.274 9 HB2 ALA 2 HB2 ALA 2 -1.189 -1.153 -3.196 10 HB3 ALA 2 HB3 ALA 2 -0.763 -1.903 -4.734 11 H ILE 3 H ILE 3 1.565 -0.290 -5.402 12 HA ILE 3 HA ILE 3 2.206 -2.196 -7.291 13 HB ILE 3 HB ILE 3 3.514 0.504 -6.942 14 HG12 ILE 3 HG12 ILE 3 1.209 -0.224 -8.750 15 HG13 ILE 3 HG13 ILE 3 0.974 0.408 -7.124 16 HG21 ILE 3 HG21 ILE 3 4.002 0.354 -9.334 17 HG22 ILE 3 HG22 ILE 3 4.781 -0.945 -8.434 18 HG23 ILE 3 HG23 ILE 3 3.324 -1.273 -9.371 19 HD11 ILE 3 HD11 ILE 3 2.799 2.074 -8.574 20 HD12 ILE 3 HD12 ILE 3 1.306 1.853 -9.487 21 HD13 ILE 3 HD13 ILE 3 1.249 2.479 -7.839 22 H LEU 4 H LEU 4 4.142 -0.980 -4.638 23 HA LEU 4 HA LEU 4 6.677 -1.787 -5.369 24 HB2 LEU 4 HB2 LEU 4 5.787 -0.593 -3.235 25 HB3 LEU 4 HB3 LEU 4 5.702 -2.225 -2.577 26 HG LEU 4 HG LEU 4 8.238 -1.066 -3.709 27 HD11 LEU 4 HD11 LEU 4 7.324 -1.043 -0.836 28 HD12 LEU 4 HD12 LEU 4 7.451 0.369 -1.885 29 HD13 LEU 4 HD13 LEU 4 8.901 -0.529 -1.436 30 HD21 LEU 4 HD21 LEU 4 7.467 -3.513 -2.192 31 HD22 LEU 4 HD22 LEU 4 9.070 -2.819 -1.942 32 HD23 LEU 4 HD23 LEU 4 8.571 -3.330 -3.556 33 H ALA 5 H ALA 5 4.068 -3.710 -3.961 34 HA ALA 5 HA ALA 5 5.655 -6.096 -3.777 35 HB1 ALA 5 HB1 ALA 5 3.886 -5.849 -2.205 36 HB2 ALA 5 HB2 ALA 5 2.700 -5.598 -3.487 37 HB3 ALA 5 HB3 ALA 5 3.450 -7.180 -3.277 38 H ILE 6 H ILE 6 3.676 -4.595 -6.186 39 HA ILE 6 HA ILE 6 3.242 -6.968 -7.743 40 HB ILE 6 HB ILE 6 2.956 -4.066 -8.532 41 HG12 ILE 6 HG12 ILE 6 0.737 -5.987 -7.855 42 HG13 ILE 6 HG13 ILE 6 1.520 -5.012 -6.615 43 HG21 ILE 6 HG21 ILE 6 1.435 -5.054 -10.294 44 HG22 ILE 6 HG22 ILE 6 3.162 -5.323 -10.521 45 HG23 ILE 6 HG23 ILE 6 2.143 -6.619 -9.896 46 HD11 ILE 6 HD11 ILE 6 0.917 -3.139 -8.493 47 HD12 ILE 6 HD12 ILE 6 -0.438 -4.260 -8.641 48 HD13 ILE 6 HD13 ILE 6 -0.069 -3.523 -7.082 49 H THR 7 H THR 7 5.054 -3.983 -8.482 50 HA THR 7 HA THR 7 6.436 -4.927 -10.684 51 HB THR 7 HB THR 7 6.383 -2.546 -9.935 52 HG1 THR 7 HG1 THR 7 7.996 -3.477 -11.445 53 HG21 THR 7 HG21 THR 7 8.073 -1.801 -8.308 54 HG22 THR 7 HG22 THR 7 8.489 -3.483 -7.982 55 HG23 THR 7 HG23 THR 7 6.885 -2.876 -7.573 56 H LEU 8 H LEU 8 7.072 -5.425 -7.286 57 HA LEU 8 HA LEU 8 9.715 -6.486 -7.688 58 HB2 LEU 8 HB2 LEU 8 8.895 -5.346 -5.597 59 HB3 LEU 8 HB3 LEU 8 7.955 -6.799 -5.266 60 HG LEU 8 HG LEU 8 10.904 -7.031 -5.671 61 HD11 LEU 8 HD11 LEU 8 10.225 -5.151 -3.989 62 HD12 LEU 8 HD12 LEU 8 11.466 -6.328 -3.558 63 HD13 LEU 8 HD13 LEU 8 9.824 -6.511 -2.941 64 HD21 LEU 8 HD21 LEU 8 10.467 -8.778 -3.849 65 HD22 LEU 8 HD22 LEU 8 9.847 -9.104 -5.468 66 HD23 LEU 8 HD23 LEU 8 8.758 -8.529 -4.204 67 H GLY 9 H GLY 9 6.585 -7.897 -6.710 68 HA2 GLY 9 HA2 GLY 9 7.366 -10.564 -6.640 69 HA3 GLY 9 HA3 GLY 9 5.735 -10.010 -6.989 70 H ILE 10 H ILE 10 6.325 -8.616 -9.397 71 HA ILE 10 HA ILE 10 6.315 -10.840 -11.211 72 HB ILE 10 HB ILE 10 6.301 -7.876 -11.796 73 HG12 ILE 10 HG12 ILE 10 4.356 -8.569 -10.488 74 HG13 ILE 10 HG13 ILE 10 3.879 -8.194 -12.140 75 HG21 ILE 10 HG21 ILE 10 5.095 -9.061 -13.912 76 HG22 ILE 10 HG22 ILE 10 6.796 -8.601 -13.864 77 HG23 ILE 10 HG23 ILE 10 6.322 -10.262 -13.508 78 HD11 ILE 10 HD11 ILE 10 3.997 -10.661 -12.609 79 HD12 ILE 10 HD12 ILE 10 4.169 -10.897 -10.869 80 HD13 ILE 10 HD13 ILE 10 2.712 -10.143 -11.518 81 H PHE 11 H PHE 11 8.661 -8.568 -10.073 82 HA PHE 11 HA PHE 11 10.501 -9.010 -12.257 83 HB2 PHE 11 HB2 PHE 11 10.463 -6.834 -11.150 84 HB3 PHE 11 HB3 PHE 11 10.864 -7.589 -9.611 85 HD1 PHE 11 HD1 PHE 11 12.196 -7.512 -13.099 86 HD2 PHE 11 HD2 PHE 11 13.039 -7.409 -8.928 87 HE1 PHE 11 HE1 PHE 11 14.591 -7.235 -13.592 88 HE2 PHE 11 HE2 PHE 11 15.434 -7.130 -9.415 89 HZ PHE 11 HZ PHE 11 16.213 -7.042 -11.749 90 H ALA 12 H ALA 12 9.854 -10.346 -9.129 91 HA ALA 12 HA ALA 12 12.366 -11.535 -8.624 92 HB1 ALA 12 HB1 ALA 12 9.815 -11.457 -7.382 93 HB2 ALA 12 HB2 ALA 12 10.313 -13.144 -7.508 94 HB3 ALA 12 HB3 ALA 12 11.357 -11.975 -6.700 95 H THR 13 H THR 13 9.349 -13.073 -9.760 96 HA THR 13 HA THR 13 10.466 -15.544 -10.405 97 HB THR 13 HB THR 13 8.164 -14.341 -11.933 98 HG1 THR 13 HG1 THR 13 6.847 -15.011 -10.192 99 HG21 THR 13 HG21 THR 13 8.278 -16.409 -12.818 100 HG22 THR 13 HG22 THR 13 7.527 -16.917 -11.305 101 HG23 THR 13 HG23 THR 13 9.276 -17.023 -11.502 102 H GLY 14 H GLY 14 10.557 -12.526 -12.104 103 HA2 GLY 14 HA2 GLY 14 10.976 -13.341 -14.726 104 HA3 GLY 14 HA3 GLY 14 11.660 -11.888 -14.013 105 H TYR 15 H TYR 15 13.113 -13.549 -11.992 106 HA TYR 15 HA TYR 15 15.508 -13.895 -13.526 107 HB2 TYR 15 HB2 TYR 15 14.758 -14.058 -10.651 108 HB3 TYR 15 HB3 TYR 15 16.213 -14.910 -11.157 109 HD1 TYR 15 HD1 TYR 15 14.842 -11.664 -12.365 110 HD2 TYR 15 HD2 TYR 15 17.971 -13.657 -10.283 111 HE1 TYR 15 HE1 TYR 15 16.106 -9.557 -12.261 112 HE2 TYR 15 HE2 TYR 15 19.244 -11.555 -10.172 113 HH TYR 15 HH TYR 15 19.292 -9.355 -11.621 114 H GLY 16 H GLY 16 14.127 -16.206 -11.201 115 HA2 GLY 16 HA2 GLY 16 13.294 -18.339 -12.393 116 HA3 GLY 16 HA3 GLY 16 14.934 -18.371 -13.025 117 H MET 17 H MET 17 13.567 -20.341 -11.362 118 HA MET 17 HA MET 17 14.197 -20.322 -8.693 119 HB2 MET 17 HB2 MET 17 13.024 -22.127 -10.167 120 HB3 MET 17 HB3 MET 17 14.636 -22.816 -10.300 121 HG2 MET 17 HG2 MET 17 14.705 -23.441 -8.111 122 HG3 MET 17 HG3 MET 17 13.623 -22.151 -7.593 123 HE1 MET 17 HE1 MET 17 13.195 -25.348 -10.201 124 HE2 MET 17 HE2 MET 17 14.189 -25.598 -8.765 125 HE3 MET 17 HE3 MET 17 12.608 -26.371 -8.889 126 H GLY 18 H GLY 18 16.279 -21.521 -11.332 127 HA2 GLY 18 HA2 GLY 18 18.524 -21.789 -9.513 128 HA3 GLY 18 HA3 GLY 18 18.516 -22.172 -11.228 129 H VAL 19 H VAL 19 17.385 -19.513 -11.898 130 HA VAL 19 HA VAL 19 19.763 -18.161 -12.462 131 HB VAL 19 HB VAL 19 16.961 -17.041 -12.306 132 HG11 VAL 19 HG11 VAL 19 19.514 -15.912 -13.419 133 HG12 VAL 19 HG12 VAL 19 17.925 -15.352 -13.941 134 HG13 VAL 19 HG13 VAL 19 18.409 -15.185 -12.253 135 HG21 VAL 19 HG21 VAL 19 16.658 -18.438 -14.036 136 HG22 VAL 19 HG22 VAL 19 17.600 -17.258 -14.947 137 HG23 VAL 19 HG23 VAL 19 18.389 -18.682 -14.269 138 H GLN 20 H GLN 20 17.221 -17.091 -10.194 139 HA GLN 20 HA GLN 20 18.824 -15.121 -8.971 140 HB2 GLN 20 HB2 GLN 20 17.071 -15.041 -7.248 141 HB3 GLN 20 HB3 GLN 20 16.393 -15.035 -8.871 142 HG2 GLN 20 HG2 GLN 20 15.075 -16.690 -8.229 143 HG3 GLN 20 HG3 GLN 20 16.506 -17.719 -8.178 144 HE21 GLN 20 HE21 GLN 20 15.582 -18.944 -6.512 145 HE22 GLN 20 HE22 GLN 20 15.516 -18.358 -4.888 146 H LYS 21 H LYS 21 18.604 -18.524 -8.532 147 HA LYS 21 HA LYS 21 19.662 -18.581 -5.864 148 HB2 LYS 21 HB2 LYS 21 18.248 -20.398 -6.720 149 HB3 LYS 21 HB3 LYS 21 19.460 -20.772 -7.939 150 HG2 LYS 21 HG2 LYS 21 21.015 -21.032 -5.831 151 HG3 LYS 21 HG3 LYS 21 19.473 -21.310 -5.017 152 HD2 LYS 21 HD2 LYS 21 20.489 -22.811 -7.431 153 HD3 LYS 21 HD3 LYS 21 20.493 -23.409 -5.770 154 HE2 LYS 21 HE2 LYS 21 17.926 -22.836 -5.918 155 HE3 LYS 21 HE3 LYS 21 18.215 -23.011 -7.648 156 HZ1 LYS 21 HZ1 LYS 21 17.661 -25.035 -5.949 157 HZ2 LYS 21 HZ2 LYS 21 19.345 -25.132 -6.067 158 HZ3 LYS 21 HZ3 LYS 21 18.394 -25.214 -7.463 159 H ALA 22 H ALA 22 20.966 -18.652 -9.101 160 HA ALA 22 HA ALA 22 23.491 -19.691 -8.692 161 HB1 ALA 22 HB1 ALA 22 22.470 -18.976 -10.876 162 HB2 ALA 22 HB2 ALA 22 22.930 -17.323 -10.463 163 HB3 ALA 22 HB3 ALA 22 24.171 -18.560 -10.664 164 H ILE 23 H ILE 23 22.307 -16.429 -8.035 165 HA ILE 23 HA ILE 23 24.889 -15.440 -7.249 166 HB ILE 23 HB ILE 23 22.182 -14.213 -6.716 167 HG12 ILE 23 HG12 ILE 23 24.072 -13.724 -9.029 168 HG13 ILE 23 HG13 ILE 23 22.579 -14.650 -9.129 169 HG21 ILE 23 HG21 ILE 23 24.960 -13.041 -6.746 170 HG22 ILE 23 HG22 ILE 23 23.471 -12.111 -6.590 171 HG23 ILE 23 HG23 ILE 23 23.924 -13.266 -5.337 172 HD11 ILE 23 HD11 ILE 23 22.923 -11.710 -8.673 173 HD12 ILE 23 HD12 ILE 23 22.053 -12.535 -9.966 174 HD13 ILE 23 HD13 ILE 23 21.409 -12.545 -8.325 175 H ASN 24 H ASN 24 22.281 -17.085 -5.710 176 HA ASN 24 HA ASN 24 22.996 -16.278 -3.034 177 HB2 ASN 24 HB2 ASN 24 21.007 -18.213 -4.191 178 HB3 ASN 24 HB3 ASN 24 21.349 -18.198 -2.463 179 HD21 ASN 24 HD21 ASN 24 21.142 -15.539 -4.784 180 HD22 ASN 24 HD22 ASN 24 19.858 -14.707 -3.981 181 H ASP 25 H ASP 25 23.786 -18.837 -5.233 182 HA ASP 25 HA ASP 25 24.617 -20.860 -3.548 183 HB2 ASP 25 HB2 ASP 25 24.629 -21.325 -5.860 184 HB3 ASP 25 HB3 ASP 25 25.649 -19.935 -6.220 185 H ARG 26 H ARG 26 26.148 -17.807 -4.250 186 HA ARG 26 HA ARG 26 28.541 -18.589 -2.754 187 HB2 ARG 26 HB2 ARG 26 27.911 -16.209 -4.497 188 HB3 ARG 26 HB3 ARG 26 29.369 -16.312 -3.518 189 HG2 ARG 26 HG2 ARG 26 28.656 -18.438 -5.508 190 HG3 ARG 26 HG3 ARG 26 29.535 -16.979 -5.971 191 HD2 ARG 26 HD2 ARG 26 30.429 -18.775 -3.730 192 HD3 ARG 26 HD3 ARG 26 30.932 -19.021 -5.402 193 HE ARG 26 HE ARG 26 31.437 -16.355 -4.632 194 HH11 ARG 26 HH11 ARG 26 32.587 -19.599 -4.107 195 HH12 ARG 26 HH12 ARG 26 34.212 -19.106 -3.760 196 HH21 ARG 26 HH21 ARG 26 33.572 -15.694 -4.178 197 HH22 ARG 26 HH22 ARG 26 34.771 -16.885 -3.800 198 H ARG 27 H ARG 27 26.067 -16.035 -2.813 199 HA ARG 27 HA ARG 27 26.445 -15.710 0.079 200 HB2 ARG 27 HB2 ARG 27 27.644 -13.909 -1.260 201 HB3 ARG 27 HB3 ARG 27 26.053 -13.359 -1.767 202 HG2 ARG 27 HG2 ARG 27 25.447 -12.776 0.444 203 HG3 ARG 27 HG3 ARG 27 26.849 -13.609 1.118 204 HD2 ARG 27 HD2 ARG 27 28.344 -11.994 0.195 205 HD3 ARG 27 HD3 ARG 27 27.050 -11.253 -0.746 206 HE ARG 27 HE ARG 27 27.658 -10.799 2.026 207 HH11 ARG 27 HH11 ARG 27 25.180 -10.686 -0.417 208 HH12 ARG 27 HH12 ARG 27 24.233 -9.498 0.414 209 HH21 ARG 27 HH21 ARG 27 26.420 -9.233 3.129 210 HH22 ARG 27 HH22 ARG 27 24.939 -8.671 2.430 211 H LYS 28 H LYS 28 24.506 -17.137 -0.089 212 HA LYS 28 HA LYS 28 22.072 -16.230 -1.179 213 HB2 LYS 28 HB2 LYS 28 21.028 -17.939 0.283 214 HB3 LYS 28 HB3 LYS 28 22.388 -18.565 -0.638 215 HG2 LYS 28 HG2 LYS 28 23.722 -17.941 1.543 216 HG3 LYS 28 HG3 LYS 28 22.127 -18.095 2.283 217 HD2 LYS 28 HD2 LYS 28 21.920 -20.352 1.335 218 HD3 LYS 28 HD3 LYS 28 23.531 -20.195 0.629 219 HE2 LYS 28 HE2 LYS 28 22.894 -20.066 3.575 220 HE3 LYS 28 HE3 LYS 28 23.539 -21.475 2.735 221 HZ1 LYS 28 HZ1 LYS 28 25.197 -19.352 2.099 222 HZ2 LYS 28 HZ2 LYS 28 25.552 -20.665 3.104 223 HZ3 LYS 28 HZ3 LYS 28 24.925 -19.240 3.766 224 H LYS 29 H LYS 29 23.582 -15.770 1.963 225 HA LYS 29 HA LYS 29 21.440 -13.862 2.634 226 HB2 LYS 29 HB2 LYS 29 21.792 -14.447 5.019 227 HB3 LYS 29 HB3 LYS 29 21.186 -15.794 4.064 228 HG2 LYS 29 HG2 LYS 29 23.298 -16.857 4.051 229 HG3 LYS 29 HG3 LYS 29 24.101 -15.420 4.688 230 HD2 LYS 29 HD2 LYS 29 23.905 -16.891 6.518 231 HD3 LYS 29 HD3 LYS 29 22.627 -15.694 6.742 232 HE2 LYS 29 HE2 LYS 29 21.193 -17.436 5.407 233 HE3 LYS 29 HE3 LYS 29 22.430 -18.566 5.956 234 HZ1 LYS 29 HZ1 LYS 29 21.254 -18.705 7.819 235 HZ2 LYS 29 HZ2 LYS 29 20.287 -17.376 7.421 236 HZ3 LYS 29 HZ3 LYS 29 21.775 -17.138 8.189 Start of MODEL 15 1 H1 SER 1 H SER 1 2.125 0.813 0.329 2 HA SER 1 HA SER 1 2.207 1.272 -2.506 3 HB2 SER 1 HB2 SER 1 4.174 0.468 -0.409 4 HB3 SER 1 HB3 SER 1 4.563 0.113 -2.092 5 HG SER 1 HG SER 1 4.990 2.143 -2.369 6 H ALA 2 H ALA 2 0.414 -0.316 -2.879 7 HA ALA 2 HA ALA 2 0.858 -3.099 -2.578 8 HB1 ALA 2 HB1 ALA 2 -1.353 -1.827 -2.952 9 HB2 ALA 2 HB2 ALA 2 -0.953 -1.947 -4.666 10 HB3 ALA 2 HB3 ALA 2 -1.151 -3.411 -3.702 11 H ILE 3 H ILE 3 1.666 -0.784 -5.066 12 HA ILE 3 HA ILE 3 2.168 -2.542 -7.190 13 HB ILE 3 HB ILE 3 3.583 0.058 -6.591 14 HG12 ILE 3 HG12 ILE 3 1.760 0.590 -8.555 15 HG13 ILE 3 HG13 ILE 3 0.884 -0.586 -7.581 16 HG21 ILE 3 HG21 ILE 3 4.062 0.133 -8.966 17 HG22 ILE 3 HG22 ILE 3 4.712 -1.348 -8.263 18 HG23 ILE 3 HG23 ILE 3 3.223 -1.400 -9.206 19 HD11 ILE 3 HD11 ILE 3 2.221 1.635 -6.155 20 HD12 ILE 3 HD12 ILE 3 0.783 2.013 -7.104 21 HD13 ILE 3 HD13 ILE 3 0.698 0.815 -5.812 22 H LEU 4 H LEU 4 4.155 -1.558 -4.461 23 HA LEU 4 HA LEU 4 6.643 -2.450 -5.273 24 HB2 LEU 4 HB2 LEU 4 6.345 -1.216 -3.230 25 HB3 LEU 4 HB3 LEU 4 5.379 -2.518 -2.539 26 HG LEU 4 HG LEU 4 7.465 -3.953 -2.679 27 HD11 LEU 4 HD11 LEU 4 8.978 -2.961 -4.065 28 HD12 LEU 4 HD12 LEU 4 9.541 -2.329 -2.518 29 HD13 LEU 4 HD13 LEU 4 8.536 -1.328 -3.566 30 HD21 LEU 4 HD21 LEU 4 8.531 -2.529 -0.720 31 HD22 LEU 4 HD22 LEU 4 7.002 -3.384 -0.521 32 HD23 LEU 4 HD23 LEU 4 7.007 -1.652 -0.858 33 H ALA 5 H ALA 5 3.899 -4.280 -4.082 34 HA ALA 5 HA ALA 5 5.372 -6.748 -3.869 35 HB1 ALA 5 HB1 ALA 5 3.493 -6.334 -2.386 36 HB2 ALA 5 HB2 ALA 5 2.404 -6.220 -3.770 37 HB3 ALA 5 HB3 ALA 5 3.186 -7.754 -3.387 38 H ILE 6 H ILE 6 3.568 -5.077 -6.305 39 HA ILE 6 HA ILE 6 3.144 -7.399 -7.960 40 HB ILE 6 HB ILE 6 2.848 -4.465 -8.611 41 HG12 ILE 6 HG12 ILE 6 0.551 -6.342 -8.268 42 HG13 ILE 6 HG13 ILE 6 1.358 -5.740 -6.824 43 HG21 ILE 6 HG21 ILE 6 3.013 -5.386 -10.701 44 HG22 ILE 6 HG22 ILE 6 2.385 -6.949 -10.182 45 HG23 ILE 6 HG23 ILE 6 1.286 -5.588 -10.405 46 HD11 ILE 6 HD11 ILE 6 -0.554 -4.446 -8.520 47 HD12 ILE 6 HD12 ILE 6 0.082 -3.941 -6.954 48 HD13 ILE 6 HD13 ILE 6 0.932 -3.500 -8.435 49 H THR 7 H THR 7 4.952 -4.374 -8.527 50 HA THR 7 HA THR 7 6.387 -5.187 -10.736 51 HB THR 7 HB THR 7 6.334 -2.860 -9.830 52 HG1 THR 7 HG1 THR 7 8.892 -4.004 -10.359 53 HG21 THR 7 HG21 THR 7 7.977 -2.231 -8.122 54 HG22 THR 7 HG22 THR 7 8.414 -3.928 -7.917 55 HG23 THR 7 HG23 THR 7 6.796 -3.375 -7.484 56 H LEU 8 H LEU 8 6.944 -5.914 -7.366 57 HA LEU 8 HA LEU 8 9.595 -6.939 -7.745 58 HB2 LEU 8 HB2 LEU 8 8.745 -6.017 -5.598 59 HB3 LEU 8 HB3 LEU 8 7.688 -7.421 -5.461 60 HG LEU 8 HG LEU 8 10.636 -7.826 -5.713 61 HD11 LEU 8 HD11 LEU 8 9.397 -7.485 -3.020 62 HD12 LEU 8 HD12 LEU 8 9.985 -6.074 -3.899 63 HD13 LEU 8 HD13 LEU 8 11.091 -7.389 -3.500 64 HD21 LEU 8 HD21 LEU 8 9.660 -9.584 -3.887 65 HD22 LEU 8 HD22 LEU 8 9.788 -9.902 -5.617 66 HD23 LEU 8 HD23 LEU 8 8.257 -9.355 -4.932 67 H GLY 9 H GLY 9 6.482 -8.503 -6.948 68 HA2 GLY 9 HA2 GLY 9 7.300 -11.141 -7.152 69 HA3 GLY 9 HA3 GLY 9 5.667 -10.582 -7.484 70 H ILE 10 H ILE 10 6.202 -8.978 -9.731 71 HA ILE 10 HA ILE 10 6.266 -10.984 -11.757 72 HB ILE 10 HB ILE 10 6.320 -7.978 -12.039 73 HG12 ILE 10 HG12 ILE 10 4.327 -8.740 -10.862 74 HG13 ILE 10 HG13 ILE 10 3.900 -8.223 -12.489 75 HG21 ILE 10 HG21 ILE 10 5.201 -8.791 -14.306 76 HG22 ILE 10 HG22 ILE 10 6.945 -8.607 -14.133 77 HG23 ILE 10 HG23 ILE 10 6.209 -10.203 -13.994 78 HD11 ILE 10 HD11 ILE 10 4.132 -10.725 -13.084 79 HD12 ILE 10 HD12 ILE 10 3.985 -10.976 -11.344 80 HD13 ILE 10 HD13 ILE 10 2.693 -10.168 -12.231 81 H PHE 11 H PHE 11 8.613 -8.854 -10.358 82 HA PHE 11 HA PHE 11 10.506 -9.139 -12.522 83 HB2 PHE 11 HB2 PHE 11 10.401 -7.073 -11.157 84 HB3 PHE 11 HB3 PHE 11 10.907 -8.000 -9.748 85 HD1 PHE 11 HD1 PHE 11 13.015 -7.266 -9.176 86 HD2 PHE 11 HD2 PHE 11 12.127 -8.043 -13.266 87 HE1 PHE 11 HE1 PHE 11 15.371 -6.866 -9.760 88 HE2 PHE 11 HE2 PHE 11 14.482 -7.645 -13.856 89 HZ PHE 11 HZ PHE 11 16.108 -7.057 -12.103 90 H ALA 12 H ALA 12 9.762 -10.722 -9.533 91 HA ALA 12 HA ALA 12 12.209 -11.964 -8.983 92 HB1 ALA 12 HB1 ALA 12 9.560 -12.081 -7.993 93 HB2 ALA 12 HB2 ALA 12 10.092 -13.735 -8.298 94 HB3 ALA 12 HB3 ALA 12 11.038 -12.684 -7.244 95 H THR 13 H THR 13 9.374 -13.374 -10.634 96 HA THR 13 HA THR 13 10.583 -15.744 -11.441 97 HB THR 13 HB THR 13 8.136 -15.278 -11.564 98 HG1 THR 13 HG1 THR 13 7.864 -16.557 -13.409 99 HG21 THR 13 HG21 THR 13 7.192 -13.835 -13.045 100 HG22 THR 13 HG22 THR 13 8.435 -14.103 -14.266 101 HG23 THR 13 HG23 THR 13 8.757 -13.037 -12.899 102 H GLY 14 H GLY 14 10.863 -12.538 -12.738 103 HA2 GLY 14 HA2 GLY 14 11.676 -13.082 -15.353 104 HA3 GLY 14 HA3 GLY 14 12.162 -11.675 -14.420 105 H TYR 15 H TYR 15 13.387 -13.474 -12.356 106 HA TYR 15 HA TYR 15 15.985 -13.634 -13.605 107 HB2 TYR 15 HB2 TYR 15 14.963 -14.018 -10.806 108 HB3 TYR 15 HB3 TYR 15 16.599 -14.504 -11.237 109 HD1 TYR 15 HD1 TYR 15 17.832 -12.554 -12.715 110 HD2 TYR 15 HD2 TYR 15 14.795 -11.962 -9.795 111 HE1 TYR 15 HE1 TYR 15 18.609 -10.244 -12.384 112 HE2 TYR 15 HE2 TYR 15 15.563 -9.650 -9.456 113 HH TYR 15 HH TYR 15 18.350 -8.360 -11.242 114 H GLY 16 H GLY 16 14.445 -16.000 -11.441 115 HA2 GLY 16 HA2 GLY 16 13.835 -18.164 -12.704 116 HA3 GLY 16 HA3 GLY 16 15.532 -18.129 -13.159 117 H MET 17 H MET 17 14.080 -20.155 -11.643 118 HA MET 17 HA MET 17 14.427 -20.110 -8.921 119 HB2 MET 17 HB2 MET 17 14.846 -22.441 -10.800 120 HB3 MET 17 HB3 MET 17 14.660 -22.583 -9.057 121 HG2 MET 17 HG2 MET 17 12.421 -21.561 -9.251 122 HG3 MET 17 HG3 MET 17 12.613 -21.548 -11.003 123 HE1 MET 17 HE1 MET 17 10.056 -24.318 -9.469 124 HE2 MET 17 HE2 MET 17 10.340 -22.579 -9.386 125 HE3 MET 17 HE3 MET 17 10.044 -23.352 -10.945 126 H GLY 18 H GLY 18 16.819 -21.153 -11.349 127 HA2 GLY 18 HA2 GLY 18 18.872 -21.402 -9.313 128 HA3 GLY 18 HA3 GLY 18 19.060 -21.716 -11.032 129 H VAL 19 H VAL 19 17.949 -19.123 -11.812 130 HA VAL 19 HA VAL 19 20.299 -17.645 -12.017 131 HB VAL 19 HB VAL 19 17.452 -16.652 -12.204 132 HG11 VAL 19 HG11 VAL 19 20.069 -15.391 -12.981 133 HG12 VAL 19 HG12 VAL 19 18.522 -14.877 -13.658 134 HG13 VAL 19 HG13 VAL 19 18.816 -14.744 -11.923 135 HG21 VAL 19 HG21 VAL 19 17.426 -18.000 -13.993 136 HG22 VAL 19 HG22 VAL 19 18.456 -16.782 -14.744 137 HG23 VAL 19 HG23 VAL 19 19.178 -18.201 -13.986 138 H GLN 20 H GLN 20 17.439 -16.745 -10.078 139 HA GLN 20 HA GLN 20 18.788 -14.743 -8.616 140 HB2 GLN 20 HB2 GLN 20 16.817 -14.738 -7.164 141 HB3 GLN 20 HB3 GLN 20 16.354 -14.769 -8.860 142 HG2 GLN 20 HG2 GLN 20 15.030 -16.470 -8.359 143 HG3 GLN 20 HG3 GLN 20 16.488 -17.440 -8.154 144 HE21 GLN 20 HE21 GLN 20 15.496 -18.722 -6.592 145 HE22 GLN 20 HE22 GLN 20 15.204 -18.150 -4.988 146 H LYS 21 H LYS 21 18.640 -18.161 -8.279 147 HA LYS 21 HA LYS 21 19.338 -18.238 -5.492 148 HB2 LYS 21 HB2 LYS 21 18.112 -20.094 -6.428 149 HB3 LYS 21 HB3 LYS 21 19.355 -20.358 -7.644 150 HG2 LYS 21 HG2 LYS 21 20.763 -21.394 -6.185 151 HG3 LYS 21 HG3 LYS 21 20.156 -20.499 -4.790 152 HD2 LYS 21 HD2 LYS 21 19.522 -22.859 -4.681 153 HD3 LYS 21 HD3 LYS 21 18.102 -21.821 -4.828 154 HE2 LYS 21 HE2 LYS 21 17.891 -23.765 -6.270 155 HE3 LYS 21 HE3 LYS 21 18.017 -22.293 -7.232 156 HZ1 LYS 21 HZ1 LYS 21 20.250 -22.784 -7.771 157 HZ2 LYS 21 HZ2 LYS 21 19.383 -24.214 -8.023 158 HZ3 LYS 21 HZ3 LYS 21 20.338 -24.038 -6.639 159 H ALA 22 H ALA 22 21.040 -18.012 -8.493 160 HA ALA 22 HA ALA 22 23.515 -19.079 -7.899 161 HB1 ALA 22 HB1 ALA 22 22.713 -18.065 -10.084 162 HB2 ALA 22 HB2 ALA 22 23.188 -16.504 -9.413 163 HB3 ALA 22 HB3 ALA 22 24.395 -17.768 -9.644 164 H ILE 23 H ILE 23 22.227 -15.891 -7.061 165 HA ILE 23 HA ILE 23 24.630 -14.912 -5.903 166 HB ILE 23 HB ILE 23 21.808 -14.016 -5.315 167 HG12 ILE 23 HG12 ILE 23 22.221 -13.947 -7.716 168 HG13 ILE 23 HG13 ILE 23 22.203 -12.312 -7.065 169 HG21 ILE 23 HG21 ILE 23 22.870 -11.884 -4.733 170 HG22 ILE 23 HG22 ILE 23 23.442 -13.201 -3.711 171 HG23 ILE 23 HG23 ILE 23 24.454 -12.601 -5.024 172 HD11 ILE 23 HD11 ILE 23 24.703 -12.412 -7.008 173 HD12 ILE 23 HD12 ILE 23 24.590 -13.931 -7.896 174 HD13 ILE 23 HD13 ILE 23 23.982 -12.441 -8.617 175 H ASN 24 H ASN 24 22.041 -16.910 -4.747 176 HA ASN 24 HA ASN 24 22.685 -16.546 -1.957 177 HB2 ASN 24 HB2 ASN 24 20.838 -18.471 -3.380 178 HB3 ASN 24 HB3 ASN 24 21.025 -18.404 -1.630 179 HD21 ASN 24 HD21 ASN 24 20.193 -16.432 -4.438 180 HD22 ASN 24 HD22 ASN 24 19.073 -15.410 -3.609 181 H ASP 25 H ASP 25 23.346 -18.883 -4.493 182 HA ASP 25 HA ASP 25 24.343 -20.990 -2.979 183 HB2 ASP 25 HB2 ASP 25 24.283 -20.252 -5.724 184 HB3 ASP 25 HB3 ASP 25 25.936 -20.719 -5.336 185 H ARG 26 H ARG 26 25.729 -17.895 -3.683 186 HA ARG 26 HA ARG 26 28.359 -18.727 -2.715 187 HB2 ARG 26 HB2 ARG 26 27.374 -16.147 -3.939 188 HB3 ARG 26 HB3 ARG 26 29.007 -16.373 -3.328 189 HG2 ARG 26 HG2 ARG 26 27.891 -18.240 -5.377 190 HG3 ARG 26 HG3 ARG 26 28.543 -16.670 -5.849 191 HD2 ARG 26 HD2 ARG 26 30.397 -18.027 -6.046 192 HD3 ARG 26 HD3 ARG 26 30.589 -17.390 -4.413 193 HE ARG 26 HE ARG 26 29.144 -19.843 -4.421 194 HH11 ARG 26 HH11 ARG 26 32.344 -18.489 -4.648 195 HH12 ARG 26 HH12 ARG 26 33.128 -19.905 -4.028 196 HH21 ARG 26 HH21 ARG 26 30.165 -21.712 -3.604 197 HH22 ARG 26 HH22 ARG 26 31.888 -21.738 -3.436 198 H ARG 27 H ARG 27 25.866 -16.289 -2.003 199 HA ARG 27 HA ARG 27 26.620 -16.409 0.815 200 HB2 ARG 27 HB2 ARG 27 26.549 -13.876 -0.827 201 HB3 ARG 27 HB3 ARG 27 26.509 -13.890 0.931 202 HG2 ARG 27 HG2 ARG 27 28.694 -14.586 1.113 203 HG3 ARG 27 HG3 ARG 27 28.706 -15.312 -0.495 204 HD2 ARG 27 HD2 ARG 27 28.347 -12.362 -0.216 205 HD3 ARG 27 HD3 ARG 27 29.957 -13.058 -0.040 206 HE ARG 27 HE ARG 27 29.004 -14.127 -2.362 207 HH11 ARG 27 HH11 ARG 27 29.445 -10.897 -1.139 208 HH12 ARG 27 HH12 ARG 27 29.719 -10.203 -2.703 209 HH21 ARG 27 HH21 ARG 27 29.364 -13.225 -4.426 210 HH22 ARG 27 HH22 ARG 27 29.672 -11.527 -4.571 211 H LYS 28 H LYS 28 24.541 -17.635 0.600 212 HA LYS 28 HA LYS 28 22.115 -16.372 -0.047 213 HB2 LYS 28 HB2 LYS 28 21.043 -18.219 1.157 214 HB3 LYS 28 HB3 LYS 28 22.330 -18.802 0.110 215 HG2 LYS 28 HG2 LYS 28 23.774 -18.616 2.283 216 HG3 LYS 28 HG3 LYS 28 22.202 -18.699 3.082 217 HD2 LYS 28 HD2 LYS 28 23.133 -20.693 1.023 218 HD3 LYS 28 HD3 LYS 28 23.361 -20.907 2.760 219 HE2 LYS 28 HE2 LYS 28 20.641 -20.322 1.667 220 HE3 LYS 28 HE3 LYS 28 21.290 -21.959 1.580 221 HZ1 LYS 28 HZ1 LYS 28 21.493 -22.035 3.932 222 HZ2 LYS 28 HZ2 LYS 28 19.929 -21.492 3.588 223 HZ3 LYS 28 HZ3 LYS 28 21.112 -20.394 4.094 224 H LYS 29 H LYS 29 24.087 -16.288 2.802 225 HA LYS 29 HA LYS 29 23.904 -15.200 4.793 226 HB2 LYS 29 HB2 LYS 29 23.437 -13.367 2.949 227 HB3 LYS 29 HB3 LYS 29 21.823 -13.384 3.650 228 HG2 LYS 29 HG2 LYS 29 22.767 -12.863 5.842 229 HG3 LYS 29 HG3 LYS 29 24.386 -12.845 5.138 230 HD2 LYS 29 HD2 LYS 29 23.937 -10.915 3.881 231 HD3 LYS 29 HD3 LYS 29 22.193 -11.079 4.092 232 HE2 LYS 29 HE2 LYS 29 22.831 -9.324 5.522 233 HE3 LYS 29 HE3 LYS 29 22.611 -10.724 6.572 234 HZ1 LYS 29 HZ1 LYS 29 24.789 -9.146 6.551 235 HZ2 LYS 29 HZ2 LYS 29 25.291 -10.416 5.553 236 HZ3 LYS 29 HZ3 LYS 29 24.762 -10.737 7.127 Start of MODEL 16 1 H1 SER 1 H SER 1 5.244 -0.222 -0.195 2 HA SER 1 HA SER 1 2.473 0.688 -0.604 3 HB2 SER 1 HB2 SER 1 4.449 2.021 -1.590 4 HB3 SER 1 HB3 SER 1 4.606 0.687 -2.733 5 HG SER 1 HG SER 1 2.230 2.180 -2.305 6 H ALA 2 H ALA 2 1.152 -0.396 -2.088 7 HA ALA 2 HA ALA 2 1.377 -3.192 -2.130 8 HB1 ALA 2 HB1 ALA 2 -0.486 -3.057 -3.826 9 HB2 ALA 2 HB2 ALA 2 -0.786 -2.245 -2.289 10 HB3 ALA 2 HB3 ALA 2 -0.347 -1.302 -3.714 11 H ILE 3 H ILE 3 2.126 -0.755 -4.585 12 HA ILE 3 HA ILE 3 2.653 -2.460 -6.729 13 HB ILE 3 HB ILE 3 4.039 0.153 -6.113 14 HG12 ILE 3 HG12 ILE 3 2.147 0.677 -8.024 15 HG13 ILE 3 HG13 ILE 3 1.320 -0.509 -7.021 16 HG21 ILE 3 HG21 ILE 3 4.463 0.282 -8.490 17 HG22 ILE 3 HG22 ILE 3 5.135 -1.214 -7.845 18 HG23 ILE 3 HG23 ILE 3 3.623 -1.247 -8.751 19 HD11 ILE 3 HD11 ILE 3 0.833 1.077 -5.567 20 HD12 ILE 3 HD12 ILE 3 2.553 1.367 -5.300 21 HD13 ILE 3 HD13 ILE 3 1.692 2.257 -6.556 22 H LEU 4 H LEU 4 4.672 -1.492 -4.019 23 HA LEU 4 HA LEU 4 7.162 -2.319 -4.895 24 HB2 LEU 4 HB2 LEU 4 6.751 -1.125 -2.792 25 HB3 LEU 4 HB3 LEU 4 6.017 -2.578 -2.118 26 HG LEU 4 HG LEU 4 8.829 -2.729 -3.090 27 HD11 LEU 4 HD11 LEU 4 8.490 -1.928 -0.279 28 HD12 LEU 4 HD12 LEU 4 8.221 -0.659 -1.474 29 HD13 LEU 4 HD13 LEU 4 9.758 -1.521 -1.435 30 HD21 LEU 4 HD21 LEU 4 7.111 -4.066 -1.037 31 HD22 LEU 4 HD22 LEU 4 8.870 -4.143 -0.922 32 HD23 LEU 4 HD23 LEU 4 8.050 -4.781 -2.348 33 H ALA 5 H ALA 5 4.472 -4.224 -3.702 34 HA ALA 5 HA ALA 5 5.995 -6.667 -3.557 35 HB1 ALA 5 HB1 ALA 5 4.199 -6.460 -2.019 36 HB2 ALA 5 HB2 ALA 5 3.054 -6.079 -3.306 37 HB3 ALA 5 HB3 ALA 5 3.735 -7.701 -3.184 38 H ILE 6 H ILE 6 4.118 -4.986 -5.932 39 HA ILE 6 HA ILE 6 3.715 -7.282 -7.626 40 HB ILE 6 HB ILE 6 3.354 -4.341 -8.214 41 HG12 ILE 6 HG12 ILE 6 1.101 -6.273 -7.874 42 HG13 ILE 6 HG13 ILE 6 1.915 -5.675 -6.432 43 HG21 ILE 6 HG21 ILE 6 3.286 -5.018 -10.343 44 HG22 ILE 6 HG22 ILE 6 3.195 -6.719 -9.891 45 HG23 ILE 6 HG23 ILE 6 1.730 -5.738 -9.929 46 HD11 ILE 6 HD11 ILE 6 -0.040 -4.392 -8.096 47 HD12 ILE 6 HD12 ILE 6 0.583 -3.914 -6.517 48 HD13 ILE 6 HD13 ILE 6 1.424 -3.415 -7.985 49 H THR 7 H THR 7 5.458 -4.213 -8.159 50 HA THR 7 HA THR 7 6.875 -4.956 -10.405 51 HB THR 7 HB THR 7 6.792 -2.648 -9.457 52 HG1 THR 7 HG1 THR 7 8.303 -2.965 -11.050 53 HG21 THR 7 HG21 THR 7 8.437 -2.017 -7.755 54 HG22 THR 7 HG22 THR 7 8.918 -3.706 -7.590 55 HG23 THR 7 HG23 THR 7 7.293 -3.202 -7.126 56 H LEU 8 H LEU 8 7.496 -5.735 -7.058 57 HA LEU 8 HA LEU 8 10.160 -6.702 -7.495 58 HB2 LEU 8 HB2 LEU 8 9.328 -5.839 -5.319 59 HB3 LEU 8 HB3 LEU 8 8.294 -7.261 -5.194 60 HG LEU 8 HG LEU 8 11.217 -7.692 -5.533 61 HD11 LEU 8 HD11 LEU 8 9.978 -6.290 -3.260 62 HD12 LEU 8 HD12 LEU 8 11.649 -6.293 -3.824 63 HD13 LEU 8 HD13 LEU 8 11.046 -7.631 -2.847 64 HD21 LEU 8 HD21 LEU 8 8.853 -9.101 -4.467 65 HD22 LEU 8 HD22 LEU 8 10.372 -9.369 -3.612 66 HD23 LEU 8 HD23 LEU 8 10.254 -9.726 -5.336 67 H GLY 9 H GLY 9 7.089 -8.340 -6.687 68 HA2 GLY 9 HA2 GLY 9 7.958 -10.958 -6.958 69 HA3 GLY 9 HA3 GLY 9 6.307 -10.426 -7.244 70 H ILE 10 H ILE 10 6.784 -8.755 -9.466 71 HA ILE 10 HA ILE 10 6.842 -10.721 -11.536 72 HB ILE 10 HB ILE 10 6.824 -7.708 -11.758 73 HG12 ILE 10 HG12 ILE 10 4.880 -8.589 -10.542 74 HG13 ILE 10 HG13 ILE 10 4.409 -7.962 -12.118 75 HG21 ILE 10 HG21 ILE 10 5.596 -8.764 -13.991 76 HG22 ILE 10 HG22 ILE 10 7.223 -8.091 -13.917 77 HG23 ILE 10 HG23 ILE 10 6.979 -9.828 -13.737 78 HD11 ILE 10 HD11 ILE 10 4.488 -10.319 -12.964 79 HD12 ILE 10 HD12 ILE 10 4.691 -10.834 -11.289 80 HD13 ILE 10 HD13 ILE 10 3.227 -9.980 -11.778 81 H PHE 11 H PHE 11 9.170 -8.577 -10.132 82 HA PHE 11 HA PHE 11 11.024 -8.766 -12.341 83 HB2 PHE 11 HB2 PHE 11 10.913 -6.733 -10.941 84 HB3 PHE 11 HB3 PHE 11 11.439 -7.676 -9.550 85 HD1 PHE 11 HD1 PHE 11 13.599 -7.218 -8.958 86 HD2 PHE 11 HD2 PHE 11 12.583 -7.346 -13.090 87 HE1 PHE 11 HE1 PHE 11 15.947 -6.775 -9.546 88 HE2 PHE 11 HE2 PHE 11 14.929 -6.905 -13.684 89 HZ PHE 11 HZ PHE 11 16.615 -6.619 -11.911 90 H ALA 12 H ALA 12 10.375 -10.435 -9.376 91 HA ALA 12 HA ALA 12 12.895 -11.660 -9.002 92 HB1 ALA 12 HB1 ALA 12 11.894 -12.296 -7.130 93 HB2 ALA 12 HB2 ALA 12 10.346 -11.721 -7.751 94 HB3 ALA 12 HB3 ALA 12 10.854 -13.383 -8.050 95 H THR 13 H THR 13 9.898 -12.900 -10.483 96 HA THR 13 HA THR 13 10.855 -15.387 -11.269 97 HB THR 13 HB THR 13 8.943 -13.910 -13.039 98 HG1 THR 13 HG1 THR 13 8.012 -15.099 -10.664 99 HG21 THR 13 HG21 THR 13 9.472 -16.713 -12.206 100 HG22 THR 13 HG22 THR 13 9.058 -16.064 -13.792 101 HG23 THR 13 HG23 THR 13 7.805 -16.267 -12.568 102 H GLY 14 H GLY 14 11.451 -12.249 -12.611 103 HA2 GLY 14 HA2 GLY 14 12.113 -12.816 -15.237 104 HA3 GLY 14 HA3 GLY 14 12.880 -11.563 -14.273 105 H TYR 15 H TYR 15 14.030 -13.336 -12.328 106 HA TYR 15 HA TYR 15 16.389 -14.081 -13.796 107 HB2 TYR 15 HB2 TYR 15 15.678 -14.322 -10.867 108 HB3 TYR 15 HB3 TYR 15 17.249 -14.744 -11.539 109 HD1 TYR 15 HD1 TYR 15 18.892 -13.097 -11.878 110 HD2 TYR 15 HD2 TYR 15 14.879 -11.922 -11.089 111 HE1 TYR 15 HE1 TYR 15 19.630 -10.764 -11.628 112 HE2 TYR 15 HE2 TYR 15 15.606 -9.586 -10.838 113 HH TYR 15 HH TYR 15 18.891 -8.596 -11.560 114 H GLY 16 H GLY 16 14.706 -15.984 -11.306 115 HA2 GLY 16 HA2 GLY 16 13.601 -18.080 -12.334 116 HA3 GLY 16 HA3 GLY 16 15.227 -18.384 -12.927 117 H MET 17 H MET 17 13.603 -20.012 -11.140 118 HA MET 17 HA MET 17 14.197 -19.850 -8.467 119 HB2 MET 17 HB2 MET 17 12.830 -21.614 -9.834 120 HB3 MET 17 HB3 MET 17 14.343 -22.511 -9.837 121 HG2 MET 17 HG2 MET 17 14.372 -22.422 -7.379 122 HG3 MET 17 HG3 MET 17 12.817 -21.593 -7.412 123 HE1 MET 17 HE1 MET 17 14.668 -24.994 -7.539 124 HE2 MET 17 HE2 MET 17 13.588 -25.994 -8.509 125 HE3 MET 17 HE3 MET 17 14.456 -24.652 -9.256 126 H GLY 18 H GLY 18 16.135 -21.549 -10.937 127 HA2 GLY 18 HA2 GLY 18 18.308 -21.920 -9.052 128 HA3 GLY 18 HA3 GLY 18 18.267 -22.467 -10.721 129 H VAL 19 H VAL 19 17.484 -19.746 -11.645 130 HA VAL 19 HA VAL 19 20.019 -18.777 -12.306 131 HB VAL 19 HB VAL 19 17.391 -17.288 -12.281 132 HG11 VAL 19 HG11 VAL 19 20.072 -16.613 -13.458 133 HG12 VAL 19 HG12 VAL 19 18.572 -15.904 -14.060 134 HG13 VAL 19 HG13 VAL 19 19.065 -15.639 -12.387 135 HG21 VAL 19 HG21 VAL 19 16.942 -18.873 -13.832 136 HG22 VAL 19 HG22 VAL 19 17.886 -17.804 -14.869 137 HG23 VAL 19 HG23 VAL 19 18.646 -19.215 -14.135 138 H GLN 20 H GLN 20 17.645 -17.176 -10.173 139 HA GLN 20 HA GLN 20 19.497 -15.333 -9.116 140 HB2 GLN 20 HB2 GLN 20 17.770 -14.876 -7.418 141 HB3 GLN 20 HB3 GLN 20 17.106 -14.908 -9.046 142 HG2 GLN 20 HG2 GLN 20 15.572 -16.314 -8.299 143 HG3 GLN 20 HG3 GLN 20 16.850 -17.518 -8.136 144 HE21 GLN 20 HE21 GLN 20 15.756 -18.463 -6.391 145 HE22 GLN 20 HE22 GLN 20 15.757 -17.738 -4.823 146 H LYS 21 H LYS 21 18.822 -18.623 -8.368 147 HA LYS 21 HA LYS 21 19.734 -18.656 -5.683 148 HB2 LYS 21 HB2 LYS 21 18.358 -20.456 -6.586 149 HB3 LYS 21 HB3 LYS 21 19.617 -20.868 -7.742 150 HG2 LYS 21 HG2 LYS 21 21.105 -21.311 -5.732 151 HG3 LYS 21 HG3 LYS 21 19.631 -21.233 -4.764 152 HD2 LYS 21 HD2 LYS 21 20.133 -23.111 -7.073 153 HD3 LYS 21 HD3 LYS 21 20.186 -23.540 -5.362 154 HE2 LYS 21 HE2 LYS 21 17.748 -22.481 -5.427 155 HE3 LYS 21 HE3 LYS 21 17.859 -22.971 -7.117 156 HZ1 LYS 21 HZ1 LYS 21 18.288 -24.765 -4.790 157 HZ2 LYS 21 HZ2 LYS 21 18.320 -25.221 -6.419 158 HZ3 LYS 21 HZ3 LYS 21 16.874 -24.694 -5.716 159 H ALA 22 H ALA 22 21.340 -18.693 -8.757 160 HA ALA 22 HA ALA 22 23.771 -19.860 -8.172 161 HB1 ALA 22 HB1 ALA 22 22.980 -18.969 -10.396 162 HB2 ALA 22 HB2 ALA 22 23.496 -17.375 -9.845 163 HB3 ALA 22 HB3 ALA 22 24.676 -18.676 -10.010 164 H ILE 23 H ILE 23 22.684 -16.565 -7.486 165 HA ILE 23 HA ILE 23 25.199 -15.716 -6.418 166 HB ILE 23 HB ILE 23 22.500 -14.453 -5.946 167 HG12 ILE 23 HG12 ILE 23 22.894 -14.739 -8.353 168 HG13 ILE 23 HG13 ILE 23 22.986 -13.042 -7.896 169 HG21 ILE 23 HG21 ILE 23 23.873 -13.331 -4.515 170 HG22 ILE 23 HG22 ILE 23 25.317 -13.647 -5.476 171 HG23 ILE 23 HG23 ILE 23 24.175 -12.402 -5.983 172 HD11 ILE 23 HD11 ILE 23 25.044 -12.879 -8.689 173 HD12 ILE 23 HD12 ILE 23 25.578 -14.280 -7.759 174 HD13 ILE 23 HD13 ILE 23 24.848 -14.502 -9.349 175 H ASN 24 H ASN 24 22.426 -17.356 -5.167 176 HA ASN 24 HA ASN 24 22.998 -16.767 -2.402 177 HB2 ASN 24 HB2 ASN 24 21.046 -18.612 -3.775 178 HB3 ASN 24 HB3 ASN 24 21.231 -18.580 -2.024 179 HD21 ASN 24 HD21 ASN 24 20.636 -16.459 -4.792 180 HD22 ASN 24 HD22 ASN 24 19.567 -15.386 -3.961 181 H ASP 25 H ASP 25 23.752 -19.266 -4.708 182 HA ASP 25 HA ASP 25 24.438 -21.386 -3.076 183 HB2 ASP 25 HB2 ASP 25 24.439 -21.599 -5.490 184 HB3 ASP 25 HB3 ASP 25 25.768 -20.451 -5.626 185 H ARG 26 H ARG 26 26.184 -18.418 -3.699 186 HA ARG 26 HA ARG 26 28.476 -19.365 -2.148 187 HB2 ARG 26 HB2 ARG 26 28.007 -16.962 -3.898 188 HB3 ARG 26 HB3 ARG 26 29.388 -17.050 -2.813 189 HG2 ARG 26 HG2 ARG 26 30.095 -19.131 -3.936 190 HG3 ARG 26 HG3 ARG 26 28.754 -18.941 -5.068 191 HD2 ARG 26 HD2 ARG 26 30.942 -16.909 -4.649 192 HD3 ARG 26 HD3 ARG 26 30.933 -18.114 -5.936 193 HE ARG 26 HE ARG 26 29.389 -15.691 -5.817 194 HH11 ARG 26 HH11 ARG 26 29.609 -18.889 -7.175 195 HH12 ARG 26 HH12 ARG 26 28.630 -18.512 -8.554 196 HH21 ARG 26 HH21 ARG 26 28.100 -15.182 -7.628 197 HH22 ARG 26 HH22 ARG 26 27.773 -16.403 -8.811 198 H ARG 27 H ARG 27 26.004 -16.833 -2.131 199 HA ARG 27 HA ARG 27 26.328 -16.592 0.758 200 HB2 ARG 27 HB2 ARG 27 27.726 -14.830 -0.535 201 HB3 ARG 27 HB3 ARG 27 26.173 -14.083 -0.886 202 HG2 ARG 27 HG2 ARG 27 25.751 -14.029 1.587 203 HG3 ARG 27 HG3 ARG 27 27.428 -14.533 1.808 204 HD2 ARG 27 HD2 ARG 27 27.671 -12.263 1.943 205 HD3 ARG 27 HD3 ARG 27 27.899 -12.496 0.210 206 HE ARG 27 HE ARG 27 25.217 -12.069 0.499 207 HH11 ARG 27 HH11 ARG 27 28.102 -10.331 1.382 208 HH12 ARG 27 HH12 ARG 27 27.359 -8.771 1.250 209 HH21 ARG 27 HH21 ARG 27 24.228 -10.021 0.323 210 HH22 ARG 27 HH22 ARG 27 25.156 -8.596 0.649 211 H LYS 28 H LYS 28 24.289 -17.779 0.547 212 HA LYS 28 HA LYS 28 22.006 -16.620 -0.670 213 HB2 LYS 28 HB2 LYS 28 20.733 -18.302 0.596 214 HB3 LYS 28 HB3 LYS 28 22.127 -19.010 -0.210 215 HG2 LYS 28 HG2 LYS 28 23.287 -18.579 2.102 216 HG3 LYS 28 HG3 LYS 28 21.622 -18.588 2.690 217 HD2 LYS 28 HD2 LYS 28 21.293 -20.793 1.629 218 HD3 LYS 28 HD3 LYS 28 22.986 -20.783 1.130 219 HE2 LYS 28 HE2 LYS 28 22.897 -22.075 3.103 220 HE3 LYS 28 HE3 LYS 28 23.569 -20.515 3.576 221 HZ1 LYS 28 HZ1 LYS 28 21.012 -20.042 4.006 222 HZ2 LYS 28 HZ2 LYS 28 22.016 -20.726 5.184 223 HZ3 LYS 28 HZ3 LYS 28 21.003 -21.715 4.258 224 H LYS 29 H LYS 29 20.288 -15.490 0.220 225 HA LYS 29 HA LYS 29 20.949 -13.957 2.611 226 HB2 LYS 29 HB2 LYS 29 20.244 -12.659 0.710 227 HB3 LYS 29 HB3 LYS 29 18.795 -13.636 0.518 228 HG2 LYS 29 HG2 LYS 29 17.920 -12.790 2.620 229 HG3 LYS 29 HG3 LYS 29 19.391 -11.846 2.866 230 HD2 LYS 29 HD2 LYS 29 17.808 -11.484 0.358 231 HD3 LYS 29 HD3 LYS 29 17.256 -10.725 1.853 232 HE2 LYS 29 HE2 LYS 29 20.029 -10.402 0.719 233 HE3 LYS 29 HE3 LYS 29 18.705 -9.278 0.416 234 HZ1 LYS 29 HZ1 LYS 29 19.031 -8.318 2.373 235 HZ2 LYS 29 HZ2 LYS 29 20.455 -9.216 2.527 236 HZ3 LYS 29 HZ3 LYS 29 19.014 -9.795 3.197 Start of MODEL 17 1 H1 SER 1 H SER 1 4.937 1.327 -1.329 2 HA SER 1 HA SER 1 2.037 1.596 -1.010 3 HB2 SER 1 HB2 SER 1 3.110 1.421 -3.793 4 HB3 SER 1 HB3 SER 1 1.602 2.129 -3.214 5 HG SER 1 HG SER 1 3.904 3.352 -3.724 6 H ALA 2 H ALA 2 0.918 -0.121 -2.455 7 HA ALA 2 HA ALA 2 1.966 -2.667 -1.675 8 HB1 ALA 2 HB1 ALA 2 -0.511 -1.687 -2.979 9 HB2 ALA 2 HB2 ALA 2 -0.077 -3.381 -3.212 10 HB3 ALA 2 HB3 ALA 2 -0.306 -2.745 -1.583 11 H ILE 3 H ILE 3 1.852 -0.812 -4.641 12 HA ILE 3 HA ILE 3 2.345 -2.743 -6.547 13 HB ILE 3 HB ILE 3 3.551 0.025 -6.457 14 HG12 ILE 3 HG12 ILE 3 0.975 -0.944 -7.716 15 HG13 ILE 3 HG13 ILE 3 1.086 0.005 -6.238 16 HG21 ILE 3 HG21 ILE 3 3.705 -0.173 -8.881 17 HG22 ILE 3 HG22 ILE 3 4.635 -1.443 -8.086 18 HG23 ILE 3 HG23 ILE 3 3.065 -1.814 -8.797 19 HD11 ILE 3 HD11 ILE 3 0.494 1.401 -8.122 20 HD12 ILE 3 HD12 ILE 3 2.086 1.841 -7.504 21 HD13 ILE 3 HD13 ILE 3 1.946 0.889 -8.982 22 H LEU 4 H LEU 4 4.539 -1.353 -4.202 23 HA LEU 4 HA LEU 4 6.999 -2.038 -5.244 24 HB2 LEU 4 HB2 LEU 4 6.418 -0.799 -3.082 25 HB3 LEU 4 HB3 LEU 4 6.331 -2.395 -2.339 26 HG LEU 4 HG LEU 4 8.704 -2.763 -3.012 27 HD11 LEU 4 HD11 LEU 4 9.820 -0.358 -3.362 28 HD12 LEU 4 HD12 LEU 4 8.279 -0.080 -4.174 29 HD13 LEU 4 HD13 LEU 4 9.328 -1.396 -4.701 30 HD21 LEU 4 HD21 LEU 4 9.501 -1.802 -1.101 31 HD22 LEU 4 HD22 LEU 4 7.769 -1.676 -0.795 32 HD23 LEU 4 HD23 LEU 4 8.665 -0.275 -1.385 33 H ALA 5 H ALA 5 4.725 -4.062 -3.444 34 HA ALA 5 HA ALA 5 6.455 -6.353 -3.443 35 HB1 ALA 5 HB1 ALA 5 4.561 -5.763 -1.786 36 HB2 ALA 5 HB2 ALA 5 3.501 -6.501 -2.987 37 HB3 ALA 5 HB3 ALA 5 4.794 -7.448 -2.252 38 H ILE 6 H ILE 6 4.080 -5.027 -5.582 39 HA ILE 6 HA ILE 6 3.564 -7.458 -7.017 40 HB ILE 6 HB ILE 6 3.037 -4.597 -7.832 41 HG12 ILE 6 HG12 ILE 6 1.040 -6.593 -6.777 42 HG13 ILE 6 HG13 ILE 6 1.924 -5.508 -5.709 43 HG21 ILE 6 HG21 ILE 6 1.240 -5.896 -9.229 44 HG22 ILE 6 HG22 ILE 6 2.889 -5.722 -9.827 45 HG23 ILE 6 HG23 ILE 6 2.382 -7.230 -9.065 46 HD11 ILE 6 HD11 ILE 6 0.176 -4.154 -6.019 47 HD12 ILE 6 HD12 ILE 6 0.956 -3.772 -7.554 48 HD13 ILE 6 HD13 ILE 6 -0.329 -4.978 -7.494 49 H THR 7 H THR 7 5.114 -4.415 -8.059 50 HA THR 7 HA THR 7 6.232 -5.357 -10.407 51 HB THR 7 HB THR 7 6.163 -2.961 -9.713 52 HG1 THR 7 HG1 THR 7 8.844 -3.583 -10.325 53 HG21 THR 7 HG21 THR 7 8.019 -2.094 -8.346 54 HG22 THR 7 HG22 THR 7 8.549 -3.747 -8.035 55 HG23 THR 7 HG23 THR 7 6.987 -3.193 -7.433 56 H LEU 8 H LEU 8 7.342 -5.727 -7.116 57 HA LEU 8 HA LEU 8 9.953 -6.690 -7.859 58 HB2 LEU 8 HB2 LEU 8 9.355 -5.499 -5.705 59 HB3 LEU 8 HB3 LEU 8 8.592 -7.004 -5.195 60 HG LEU 8 HG LEU 8 11.441 -7.092 -6.053 61 HD11 LEU 8 HD11 LEU 8 10.959 -6.482 -3.207 62 HD12 LEU 8 HD12 LEU 8 10.807 -5.134 -4.334 63 HD13 LEU 8 HD13 LEU 8 12.312 -6.049 -4.251 64 HD21 LEU 8 HD21 LEU 8 9.590 -8.602 -4.280 65 HD22 LEU 8 HD22 LEU 8 11.315 -8.625 -3.913 66 HD23 LEU 8 HD23 LEU 8 10.738 -9.191 -5.481 67 H GLY 9 H GLY 9 7.023 -8.166 -6.461 68 HA2 GLY 9 HA2 GLY 9 7.930 -10.802 -6.383 69 HA3 GLY 9 HA3 GLY 9 6.245 -10.323 -6.525 70 H ILE 10 H ILE 10 6.480 -8.992 -9.042 71 HA ILE 10 HA ILE 10 6.314 -11.291 -10.760 72 HB ILE 10 HB ILE 10 6.073 -8.357 -11.435 73 HG12 ILE 10 HG12 ILE 10 4.358 -9.068 -9.855 74 HG13 ILE 10 HG13 ILE 10 3.642 -8.808 -11.441 75 HG21 ILE 10 HG21 ILE 10 4.681 -9.566 -13.356 76 HG22 ILE 10 HG22 ILE 10 6.404 -9.223 -13.507 77 HG23 ILE 10 HG23 ILE 10 5.863 -10.836 -13.041 78 HD11 ILE 10 HD11 ILE 10 3.802 -11.275 -11.814 79 HD12 ILE 10 HD12 ILE 10 4.273 -11.429 -10.121 80 HD13 ILE 10 HD13 ILE 10 2.689 -10.777 -10.540 81 H PHE 11 H PHE 11 8.673 -8.868 -10.035 82 HA PHE 11 HA PHE 11 10.222 -9.318 -12.433 83 HB2 PHE 11 HB2 PHE 11 10.223 -7.100 -11.412 84 HB3 PHE 11 HB3 PHE 11 10.863 -7.769 -9.915 85 HD1 PHE 11 HD1 PHE 11 12.966 -6.861 -9.638 86 HD2 PHE 11 HD2 PHE 11 11.845 -8.382 -13.452 87 HE1 PHE 11 HE1 PHE 11 15.258 -6.495 -10.454 88 HE2 PHE 11 HE2 PHE 11 14.135 -8.018 -14.274 89 HZ PHE 11 HZ PHE 11 15.845 -7.074 -12.775 90 H ALA 12 H ALA 12 10.074 -10.546 -9.199 91 HA ALA 12 HA ALA 12 12.688 -11.595 -8.999 92 HB1 ALA 12 HB1 ALA 12 11.972 -12.000 -6.941 93 HB2 ALA 12 HB2 ALA 12 10.327 -11.585 -7.424 94 HB3 ALA 12 HB3 ALA 12 10.891 -13.250 -7.558 95 H THR 13 H THR 13 9.615 -13.209 -9.826 96 HA THR 13 HA THR 13 10.665 -15.716 -10.419 97 HB THR 13 HB THR 13 8.335 -14.565 -11.935 98 HG1 THR 13 HG1 THR 13 8.040 -15.743 -9.387 99 HG21 THR 13 HG21 THR 13 9.026 -17.309 -10.886 100 HG22 THR 13 HG22 THR 13 8.941 -16.799 -12.573 101 HG23 THR 13 HG23 THR 13 7.472 -16.887 -11.602 102 H GLY 14 H GLY 14 10.742 -12.774 -12.246 103 HA2 GLY 14 HA2 GLY 14 11.086 -13.778 -14.838 104 HA3 GLY 14 HA3 GLY 14 11.703 -12.238 -14.259 105 H TYR 15 H TYR 15 13.208 -13.866 -12.137 106 HA TYR 15 HA TYR 15 15.659 -14.012 -13.589 107 HB2 TYR 15 HB2 TYR 15 14.802 -14.391 -10.775 108 HB3 TYR 15 HB3 TYR 15 16.285 -15.205 -11.259 109 HD1 TYR 15 HD1 TYR 15 18.127 -14.039 -10.512 110 HD2 TYR 15 HD2 TYR 15 14.814 -11.857 -12.051 111 HE1 TYR 15 HE1 TYR 15 19.378 -11.943 -10.216 112 HE2 TYR 15 HE2 TYR 15 16.057 -9.755 -11.761 113 HH TYR 15 HH TYR 15 18.326 -9.199 -9.927 114 H GLY 16 H GLY 16 14.318 -16.569 -11.512 115 HA2 GLY 16 HA2 GLY 16 13.650 -18.636 -12.916 116 HA3 GLY 16 HA3 GLY 16 15.321 -18.539 -13.453 117 H MET 17 H MET 17 14.014 -20.717 -12.056 118 HA MET 17 HA MET 17 14.464 -20.892 -9.356 119 HB2 MET 17 HB2 MET 17 14.784 -22.983 -11.506 120 HB3 MET 17 HB3 MET 17 14.898 -23.357 -9.791 121 HG2 MET 17 HG2 MET 17 12.666 -23.025 -9.424 122 HG3 MET 17 HG3 MET 17 12.499 -21.907 -10.775 123 HE1 MET 17 HE1 MET 17 10.952 -25.373 -9.956 124 HE2 MET 17 HE2 MET 17 10.447 -23.690 -10.110 125 HE3 MET 17 HE3 MET 17 10.051 -24.850 -11.379 126 H GLY 18 H GLY 18 16.795 -21.778 -11.912 127 HA2 GLY 18 HA2 GLY 18 18.928 -21.996 -9.958 128 HA3 GLY 18 HA3 GLY 18 19.059 -22.286 -11.686 129 H VAL 19 H VAL 19 17.753 -19.645 -12.232 130 HA VAL 19 HA VAL 19 20.065 -18.119 -12.612 131 HB VAL 19 HB VAL 19 17.192 -17.189 -12.510 132 HG11 VAL 19 HG11 VAL 19 19.676 -15.831 -13.545 133 HG12 VAL 19 HG12 VAL 19 18.032 -15.297 -13.901 134 HG13 VAL 19 HG13 VAL 19 18.623 -15.288 -12.239 135 HG21 VAL 19 HG21 VAL 19 17.133 -18.595 -14.291 136 HG22 VAL 19 HG22 VAL 19 17.806 -17.184 -15.108 137 HG23 VAL 19 HG23 VAL 19 18.870 -18.486 -14.576 138 H GLN 20 H GLN 20 17.371 -17.356 -10.397 139 HA GLN 20 HA GLN 20 18.767 -15.366 -8.986 140 HB2 GLN 20 HB2 GLN 20 16.975 -15.587 -7.298 141 HB3 GLN 20 HB3 GLN 20 16.346 -15.475 -8.937 142 HG2 GLN 20 HG2 GLN 20 15.144 -17.279 -8.500 143 HG3 GLN 20 HG3 GLN 20 16.649 -18.197 -8.498 144 HE21 GLN 20 HE21 GLN 20 15.710 -19.638 -6.997 145 HE22 GLN 20 HE22 GLN 20 15.582 -19.224 -5.325 146 H LYS 21 H LYS 21 18.867 -18.792 -8.797 147 HA LYS 21 HA LYS 21 19.664 -19.142 -6.125 148 HB2 LYS 21 HB2 LYS 21 19.085 -20.834 -8.135 149 HB3 LYS 21 HB3 LYS 21 20.840 -20.929 -8.180 150 HG2 LYS 21 HG2 LYS 21 20.428 -22.606 -6.714 151 HG3 LYS 21 HG3 LYS 21 20.518 -21.263 -5.572 152 HD2 LYS 21 HD2 LYS 21 18.575 -22.431 -4.967 153 HD3 LYS 21 HD3 LYS 21 17.993 -21.047 -5.894 154 HE2 LYS 21 HE2 LYS 21 16.778 -22.704 -6.885 155 HE3 LYS 21 HE3 LYS 21 18.218 -22.753 -7.901 156 HZ1 LYS 21 HZ1 LYS 21 17.370 -24.628 -5.797 157 HZ2 LYS 21 HZ2 LYS 21 19.012 -24.483 -6.175 158 HZ3 LYS 21 HZ3 LYS 21 17.909 -24.955 -7.367 159 H ALA 22 H ALA 22 21.367 -18.004 -8.916 160 HA ALA 22 HA ALA 22 24.005 -18.538 -8.293 161 HB1 ALA 22 HB1 ALA 22 23.098 -17.426 -10.371 162 HB2 ALA 22 HB2 ALA 22 23.083 -15.920 -9.452 163 HB3 ALA 22 HB3 ALA 22 24.605 -16.764 -9.736 164 H ILE 23 H ILE 23 21.928 -15.938 -7.094 165 HA ILE 23 HA ILE 23 24.015 -14.699 -5.566 166 HB ILE 23 HB ILE 23 21.033 -14.328 -5.275 167 HG12 ILE 23 HG12 ILE 23 22.984 -12.754 -6.970 168 HG13 ILE 23 HG13 ILE 23 21.831 -13.927 -7.596 169 HG21 ILE 23 HG21 ILE 23 22.171 -13.437 -3.386 170 HG22 ILE 23 HG22 ILE 23 23.404 -12.692 -4.403 171 HG23 ILE 23 HG23 ILE 23 21.752 -12.077 -4.428 172 HD11 ILE 23 HD11 ILE 23 20.083 -12.425 -6.382 173 HD12 ILE 23 HD12 ILE 23 21.356 -11.208 -6.487 174 HD13 ILE 23 HD13 ILE 23 20.727 -11.957 -7.955 175 H ASN 24 H ASN 24 21.758 -17.259 -5.052 176 HA ASN 24 HA ASN 24 21.901 -17.163 -2.171 177 HB2 ASN 24 HB2 ASN 24 20.829 -19.348 -3.971 178 HB3 ASN 24 HB3 ASN 24 20.556 -19.199 -2.237 179 HD21 ASN 24 HD21 ASN 24 20.053 -16.511 -2.008 180 HD22 ASN 24 HD22 ASN 24 18.581 -16.130 -2.828 181 H ASP 25 H ASP 25 23.597 -18.712 -4.768 182 HA ASP 25 HA ASP 25 24.778 -20.811 -3.261 183 HB2 ASP 25 HB2 ASP 25 24.680 -20.956 -5.678 184 HB3 ASP 25 HB3 ASP 25 25.641 -19.489 -5.841 185 H ARG 26 H ARG 26 25.483 -17.445 -3.653 186 HA ARG 26 HA ARG 26 28.212 -17.510 -2.885 187 HB2 ARG 26 HB2 ARG 26 26.120 -15.425 -3.195 188 HB3 ARG 26 HB3 ARG 26 27.492 -15.026 -2.171 189 HG2 ARG 26 HG2 ARG 26 27.804 -16.069 -4.970 190 HG3 ARG 26 HG3 ARG 26 27.668 -14.351 -4.591 191 HD2 ARG 26 HD2 ARG 26 29.700 -16.083 -3.228 192 HD3 ARG 26 HD3 ARG 26 30.018 -15.391 -4.818 193 HE ARG 26 HE ARG 26 29.196 -13.282 -3.272 194 HH11 ARG 26 HH11 ARG 26 31.738 -15.655 -3.110 195 HH12 ARG 26 HH12 ARG 26 32.838 -14.611 -2.272 196 HH21 ARG 26 HH21 ARG 26 30.635 -11.898 -2.170 197 HH22 ARG 26 HH22 ARG 26 32.209 -12.474 -1.737 198 H ARG 27 H ARG 27 25.232 -16.802 -1.072 199 HA ARG 27 HA ARG 27 26.105 -18.054 1.286 200 HB2 ARG 27 HB2 ARG 27 27.519 -15.827 1.075 201 HB3 ARG 27 HB3 ARG 27 26.054 -15.101 1.722 202 HG2 ARG 27 HG2 ARG 27 26.179 -16.680 3.632 203 HG3 ARG 27 HG3 ARG 27 27.725 -17.251 3.002 204 HD2 ARG 27 HD2 ARG 27 27.344 -14.329 3.429 205 HD3 ARG 27 HD3 ARG 27 27.604 -15.362 4.835 206 HE ARG 27 HE ARG 27 29.598 -16.083 3.152 207 HH11 ARG 27 HH11 ARG 27 28.499 -13.024 4.398 208 HH12 ARG 27 HH12 ARG 27 30.069 -12.294 4.355 209 HH21 ARG 27 HH21 ARG 27 31.671 -15.134 3.091 210 HH22 ARG 27 HH22 ARG 27 31.873 -13.495 3.611 211 H LYS 28 H LYS 28 23.769 -17.830 -0.379 212 HA LYS 28 HA LYS 28 21.506 -17.595 -0.259 213 HB2 LYS 28 HB2 LYS 28 21.866 -17.714 2.732 214 HB3 LYS 28 HB3 LYS 28 20.491 -18.266 1.785 215 HG2 LYS 28 HG2 LYS 28 23.241 -19.486 1.681 216 HG3 LYS 28 HG3 LYS 28 21.896 -20.103 2.643 217 HD2 LYS 28 HD2 LYS 28 21.361 -19.643 -0.228 218 HD3 LYS 28 HD3 LYS 28 22.460 -20.968 0.163 219 HE2 LYS 28 HE2 LYS 28 19.744 -20.620 1.419 220 HE3 LYS 28 HE3 LYS 28 20.037 -21.603 -0.015 221 HZ1 LYS 28 HZ1 LYS 28 21.697 -22.848 1.358 222 HZ2 LYS 28 HZ2 LYS 28 20.086 -23.045 1.836 223 HZ3 LYS 28 HZ3 LYS 28 21.110 -22.025 2.715 224 H LYS 29 H LYS 29 22.514 -15.210 -0.736 225 HA LYS 29 HA LYS 29 21.249 -13.371 1.184 226 HB2 LYS 29 HB2 LYS 29 22.744 -11.671 0.472 227 HB3 LYS 29 HB3 LYS 29 23.721 -13.114 0.709 228 HG2 LYS 29 HG2 LYS 29 23.684 -13.524 -1.708 229 HG3 LYS 29 HG3 LYS 29 22.735 -12.052 -1.932 230 HD2 LYS 29 HD2 LYS 29 25.465 -12.127 -0.654 231 HD3 LYS 29 HD3 LYS 29 25.181 -11.778 -2.361 232 HE2 LYS 29 HE2 LYS 29 24.007 -10.212 -0.067 233 HE3 LYS 29 HE3 LYS 29 25.454 -9.747 -0.959 234 HZ1 LYS 29 HZ1 LYS 29 22.654 -9.786 -1.863 235 HZ2 LYS 29 HZ2 LYS 29 23.900 -9.942 -2.996 236 HZ3 LYS 29 HZ3 LYS 29 23.812 -8.562 -2.021 Start of MODEL 18 1 H1 SER 1 H SER 1 4.632 1.270 0.594 2 HA SER 1 HA SER 1 3.487 1.730 -2.031 3 HB2 SER 1 HB2 SER 1 6.260 1.085 -1.043 4 HB3 SER 1 HB3 SER 1 5.863 1.055 -2.761 5 HG SER 1 HG SER 1 5.414 3.210 -2.698 6 H ALA 2 H ALA 2 2.091 0.117 -2.545 7 HA ALA 2 HA ALA 2 2.593 -2.637 -1.986 8 HB1 ALA 2 HB1 ALA 2 0.588 -1.382 -3.857 9 HB2 ALA 2 HB2 ALA 2 0.590 -3.063 -3.321 10 HB3 ALA 2 HB3 ALA 2 0.322 -1.766 -2.156 11 H ILE 3 H ILE 3 3.202 -0.513 -4.691 12 HA ILE 3 HA ILE 3 3.555 -2.294 -6.767 13 HB ILE 3 HB ILE 3 5.259 0.135 -6.202 14 HG12 ILE 3 HG12 ILE 3 2.686 -0.142 -7.771 15 HG13 ILE 3 HG13 ILE 3 2.859 0.657 -6.212 16 HG21 ILE 3 HG21 ILE 3 5.673 0.169 -8.595 17 HG22 ILE 3 HG22 ILE 3 6.202 -1.362 -7.901 18 HG23 ILE 3 HG23 ILE 3 4.690 -1.279 -8.803 19 HD11 ILE 3 HD11 ILE 3 4.707 1.976 -7.694 20 HD12 ILE 3 HD12 ILE 3 3.472 1.619 -8.902 21 HD13 ILE 3 HD13 ILE 3 3.046 2.509 -7.442 22 H LEU 4 H LEU 4 5.665 -1.626 -4.053 23 HA LEU 4 HA LEU 4 8.055 -2.701 -4.915 24 HB2 LEU 4 HB2 LEU 4 7.684 -1.567 -2.752 25 HB3 LEU 4 HB3 LEU 4 6.844 -3.003 -2.171 26 HG LEU 4 HG LEU 4 8.925 -4.289 -2.362 27 HD11 LEU 4 HD11 LEU 4 10.038 -3.176 -4.150 28 HD12 LEU 4 HD12 LEU 4 11.047 -3.015 -2.713 29 HD13 LEU 4 HD13 LEU 4 10.070 -1.653 -3.261 30 HD21 LEU 4 HD21 LEU 4 8.511 -3.388 -0.221 31 HD22 LEU 4 HD22 LEU 4 8.976 -1.764 -0.728 32 HD23 LEU 4 HD23 LEU 4 10.200 -3.025 -0.575 33 H ALA 5 H ALA 5 5.219 -4.374 -3.629 34 HA ALA 5 HA ALA 5 6.456 -6.963 -3.719 35 HB1 ALA 5 HB1 ALA 5 4.629 -6.327 -2.136 36 HB2 ALA 5 HB2 ALA 5 3.517 -6.343 -3.505 37 HB3 ALA 5 HB3 ALA 5 4.343 -7.824 -3.023 38 H ILE 6 H ILE 6 4.678 -4.972 -5.920 39 HA ILE 6 HA ILE 6 3.893 -7.094 -7.686 40 HB ILE 6 HB ILE 6 4.023 -4.119 -8.191 41 HG12 ILE 6 HG12 ILE 6 1.561 -5.763 -7.630 42 HG13 ILE 6 HG13 ILE 6 2.489 -5.017 -6.334 43 HG21 ILE 6 HG21 ILE 6 3.509 -4.557 -10.303 44 HG22 ILE 6 HG22 ILE 6 3.615 -6.285 -9.973 45 HG23 ILE 6 HG23 ILE 6 2.078 -5.444 -9.780 46 HD11 ILE 6 HD11 ILE 6 1.105 -3.295 -6.636 47 HD12 ILE 6 HD12 ILE 6 2.129 -2.920 -8.023 48 HD13 ILE 6 HD13 ILE 6 0.635 -3.828 -8.250 49 H THR 7 H THR 7 6.110 -4.341 -8.182 50 HA THR 7 HA THR 7 7.318 -5.246 -10.497 51 HB THR 7 HB THR 7 7.626 -2.973 -9.514 52 HG1 THR 7 HG1 THR 7 10.052 -4.358 -10.096 53 HG21 THR 7 HG21 THR 7 9.427 -2.658 -7.862 54 HG22 THR 7 HG22 THR 7 9.577 -4.408 -7.709 55 HG23 THR 7 HG23 THR 7 8.090 -3.603 -7.209 56 H LEU 8 H LEU 8 7.909 -6.178 -7.184 57 HA LEU 8 HA LEU 8 10.350 -7.591 -7.785 58 HB2 LEU 8 HB2 LEU 8 9.731 -6.499 -5.570 59 HB3 LEU 8 HB3 LEU 8 8.674 -7.884 -5.308 60 HG LEU 8 HG LEU 8 11.564 -8.347 -5.896 61 HD11 LEU 8 HD11 LEU 8 11.589 -6.640 -4.165 62 HD12 LEU 8 HD12 LEU 8 12.074 -8.202 -3.508 63 HD13 LEU 8 HD13 LEU 8 10.452 -7.581 -3.200 64 HD21 LEU 8 HD21 LEU 8 10.783 -10.070 -3.951 65 HD22 LEU 8 HD22 LEU 8 10.684 -10.402 -5.681 66 HD23 LEU 8 HD23 LEU 8 9.265 -9.816 -4.813 67 H GLY 9 H GLY 9 7.009 -8.490 -6.953 68 HA2 GLY 9 HA2 GLY 9 7.355 -11.271 -7.050 69 HA3 GLY 9 HA3 GLY 9 5.833 -10.429 -7.301 70 H ILE 10 H ILE 10 6.689 -8.946 -9.611 71 HA ILE 10 HA ILE 10 6.258 -10.993 -11.593 72 HB ILE 10 HB ILE 10 6.683 -8.024 -11.949 73 HG12 ILE 10 HG12 ILE 10 4.691 -8.490 -10.628 74 HG13 ILE 10 HG13 ILE 10 4.226 -7.955 -12.239 75 HG21 ILE 10 HG21 ILE 10 5.217 -8.931 -14.084 76 HG22 ILE 10 HG22 ILE 10 6.944 -8.578 -14.097 77 HG23 ILE 10 HG23 ILE 10 6.384 -10.229 -13.831 78 HD11 ILE 10 HD11 ILE 10 3.844 -10.296 -12.877 79 HD12 ILE 10 HD12 ILE 10 4.241 -10.788 -11.230 80 HD13 ILE 10 HD13 ILE 10 2.826 -9.780 -11.533 81 H PHE 11 H PHE 11 8.938 -9.184 -10.361 82 HA PHE 11 HA PHE 11 10.649 -9.720 -12.628 83 HB2 PHE 11 HB2 PHE 11 10.917 -7.653 -11.312 84 HB3 PHE 11 HB3 PHE 11 11.324 -8.614 -9.894 85 HD1 PHE 11 HD1 PHE 11 12.423 -7.904 -13.371 86 HD2 PHE 11 HD2 PHE 11 13.529 -9.189 -9.467 87 HE1 PHE 11 HE1 PHE 11 14.792 -7.866 -14.033 88 HE2 PHE 11 HE2 PHE 11 15.900 -9.152 -10.122 89 HZ PHE 11 HZ PHE 11 16.535 -8.489 -12.408 90 H ALA 12 H ALA 12 9.934 -11.138 -9.534 91 HA ALA 12 HA ALA 12 12.183 -12.679 -9.062 92 HB1 ALA 12 HB1 ALA 12 9.889 -14.236 -8.416 93 HB2 ALA 12 HB2 ALA 12 10.942 -13.318 -7.339 94 HB3 ALA 12 HB3 ALA 12 9.538 -12.542 -8.071 95 H THR 13 H THR 13 9.231 -13.748 -10.763 96 HA THR 13 HA THR 13 10.250 -16.211 -11.620 97 HB THR 13 HB THR 13 8.446 -15.565 -13.589 98 HG1 THR 13 HG1 THR 13 7.378 -14.392 -11.251 99 HG21 THR 13 HG21 THR 13 6.819 -16.487 -11.606 100 HG22 THR 13 HG22 THR 13 8.406 -16.981 -11.016 101 HG23 THR 13 HG23 THR 13 7.854 -17.504 -12.607 102 H GLY 14 H GLY 14 10.733 -13.005 -12.827 103 HA2 GLY 14 HA2 GLY 14 11.365 -13.465 -15.494 104 HA3 GLY 14 HA3 GLY 14 12.072 -12.196 -14.506 105 H TYR 15 H TYR 15 13.348 -13.940 -12.619 106 HA TYR 15 HA TYR 15 15.713 -14.546 -14.153 107 HB2 TYR 15 HB2 TYR 15 15.021 -14.238 -11.307 108 HB3 TYR 15 HB3 TYR 15 16.264 -15.441 -11.635 109 HD1 TYR 15 HD1 TYR 15 18.386 -14.625 -11.292 110 HD2 TYR 15 HD2 TYR 15 15.457 -12.042 -12.982 111 HE1 TYR 15 HE1 TYR 15 20.070 -12.841 -11.470 112 HE2 TYR 15 HE2 TYR 15 17.134 -10.252 -13.166 113 HH TYR 15 HH TYR 15 20.369 -10.735 -12.984 114 H GLY 16 H GLY 16 14.209 -16.517 -11.603 115 HA2 GLY 16 HA2 GLY 16 13.189 -18.677 -12.596 116 HA3 GLY 16 HA3 GLY 16 14.817 -18.899 -13.219 117 H MET 17 H MET 17 13.347 -20.618 -11.408 118 HA MET 17 HA MET 17 13.954 -20.404 -8.741 119 HB2 MET 17 HB2 MET 17 13.896 -22.862 -10.492 120 HB3 MET 17 HB3 MET 17 14.014 -22.927 -8.739 121 HG2 MET 17 HG2 MET 17 11.872 -21.848 -8.510 122 HG3 MET 17 HG3 MET 17 11.764 -21.629 -10.255 123 HE1 MET 17 HE1 MET 17 9.592 -23.707 -11.226 124 HE2 MET 17 HE2 MET 17 11.064 -22.902 -11.770 125 HE3 MET 17 HE3 MET 17 10.946 -24.661 -11.835 126 H GLY 18 H GLY 18 15.975 -22.010 -11.209 127 HA2 GLY 18 HA2 GLY 18 18.192 -22.186 -9.347 128 HA3 GLY 18 HA3 GLY 18 18.167 -22.776 -11.002 129 H VAL 19 H VAL 19 17.168 -20.107 -11.935 130 HA VAL 19 HA VAL 19 19.621 -18.994 -12.685 131 HB VAL 19 HB VAL 19 16.903 -17.677 -12.609 132 HG11 VAL 19 HG11 VAL 19 19.422 -16.871 -14.060 133 HG12 VAL 19 HG12 VAL 19 17.835 -16.132 -14.284 134 HG13 VAL 19 HG13 VAL 19 18.656 -16.006 -12.728 135 HG21 VAL 19 HG21 VAL 19 16.548 -19.347 -14.108 136 HG22 VAL 19 HG22 VAL 19 17.317 -18.188 -15.192 137 HG23 VAL 19 HG23 VAL 19 18.259 -19.509 -14.503 138 H GLN 20 H GLN 20 17.206 -17.515 -10.510 139 HA GLN 20 HA GLN 20 18.934 -15.526 -9.535 140 HB2 GLN 20 HB2 GLN 20 17.254 -15.225 -7.746 141 HB3 GLN 20 HB3 GLN 20 16.530 -15.299 -9.347 142 HG2 GLN 20 HG2 GLN 20 15.146 -16.828 -8.549 143 HG3 GLN 20 HG3 GLN 20 16.521 -17.928 -8.466 144 HE21 GLN 20 HE21 GLN 20 15.518 -18.966 -6.697 145 HE22 GLN 20 HE22 GLN 20 15.563 -18.272 -5.115 146 H LYS 21 H LYS 21 18.624 -18.856 -8.759 147 HA LYS 21 HA LYS 21 19.561 -18.862 -6.110 148 HB2 LYS 21 HB2 LYS 21 18.585 -20.773 -7.657 149 HB3 LYS 21 HB3 LYS 21 20.288 -21.080 -7.974 150 HG2 LYS 21 HG2 LYS 21 20.691 -21.389 -5.594 151 HG3 LYS 21 HG3 LYS 21 18.994 -21.044 -5.254 152 HD2 LYS 21 HD2 LYS 21 19.920 -23.297 -7.029 153 HD3 LYS 21 HD3 LYS 21 19.593 -23.481 -5.304 154 HE2 LYS 21 HE2 LYS 21 17.294 -22.440 -5.879 155 HE3 LYS 21 HE3 LYS 21 17.691 -22.879 -7.539 156 HZ1 LYS 21 HZ1 LYS 21 18.239 -25.112 -6.023 157 HZ2 LYS 21 HZ2 LYS 21 16.930 -24.892 -7.071 158 HZ3 LYS 21 HZ3 LYS 21 16.767 -24.531 -5.427 159 H ALA 22 H ALA 22 21.185 -18.427 -9.133 160 HA ALA 22 HA ALA 22 23.779 -19.198 -8.534 161 HB1 ALA 22 HB1 ALA 22 22.874 -18.389 -10.750 162 HB2 ALA 22 HB2 ALA 22 23.106 -16.748 -10.143 163 HB3 ALA 22 HB3 ALA 22 24.490 -17.827 -10.322 164 H ILE 23 H ILE 23 22.100 -16.186 -7.761 165 HA ILE 23 HA ILE 23 24.412 -14.936 -6.619 166 HB ILE 23 HB ILE 23 21.505 -14.200 -6.258 167 HG12 ILE 23 HG12 ILE 23 23.499 -13.057 -8.222 168 HG13 ILE 23 HG13 ILE 23 22.306 -14.281 -8.644 169 HG21 ILE 23 HG21 ILE 23 22.916 -13.191 -4.577 170 HG22 ILE 23 HG22 ILE 23 24.041 -12.632 -5.815 171 HG23 ILE 23 HG23 ILE 23 22.411 -11.963 -5.738 172 HD11 ILE 23 HD11 ILE 23 21.949 -11.606 -8.889 173 HD12 ILE 23 HD12 ILE 23 20.647 -12.790 -8.757 174 HD13 ILE 23 HD13 ILE 23 21.196 -11.918 -7.326 175 H ASN 24 H ASN 24 21.961 -17.088 -5.489 176 HA ASN 24 HA ASN 24 22.359 -16.490 -2.693 177 HB2 ASN 24 HB2 ASN 24 20.921 -18.838 -3.947 178 HB3 ASN 24 HB3 ASN 24 20.790 -18.296 -2.276 179 HD21 ASN 24 HD21 ASN 24 20.596 -15.579 -2.615 180 HD22 ASN 24 HD22 ASN 24 19.118 -15.206 -3.428 181 H ASP 25 H ASP 25 23.604 -18.721 -5.052 182 HA ASP 25 HA ASP 25 24.670 -20.659 -3.306 183 HB2 ASP 25 HB2 ASP 25 24.417 -21.029 -5.726 184 HB3 ASP 25 HB3 ASP 25 25.656 -19.818 -6.041 185 H ARG 26 H ARG 26 25.724 -17.483 -4.192 186 HA ARG 26 HA ARG 26 28.362 -17.926 -2.998 187 HB2 ARG 26 HB2 ARG 26 28.928 -15.712 -3.901 188 HB3 ARG 26 HB3 ARG 26 28.332 -16.790 -5.156 189 HG2 ARG 26 HG2 ARG 26 26.113 -15.708 -4.968 190 HG3 ARG 26 HG3 ARG 26 26.808 -14.570 -3.812 191 HD2 ARG 26 HD2 ARG 26 28.044 -14.948 -6.512 192 HD3 ARG 26 HD3 ARG 26 26.641 -13.900 -6.309 193 HE ARG 26 HE ARG 26 29.335 -13.357 -5.496 194 HH11 ARG 26 HH11 ARG 26 25.981 -12.680 -4.857 195 HH12 ARG 26 HH12 ARG 26 26.296 -11.143 -4.122 196 HH21 ARG 26 HH21 ARG 26 29.764 -11.336 -4.529 197 HH22 ARG 26 HH22 ARG 26 28.448 -10.379 -3.937 198 H ARG 27 H ARG 27 25.438 -15.986 -2.620 199 HA ARG 27 HA ARG 27 26.120 -15.552 0.176 200 HB2 ARG 27 HB2 ARG 27 27.039 -13.595 -1.042 201 HB3 ARG 27 HB3 ARG 27 25.428 -13.253 -1.660 202 HG2 ARG 27 HG2 ARG 27 24.614 -12.720 0.499 203 HG3 ARG 27 HG3 ARG 27 26.066 -13.357 1.274 204 HD2 ARG 27 HD2 ARG 27 27.388 -11.588 0.159 205 HD3 ARG 27 HD3 ARG 27 25.894 -10.928 -0.505 206 HE ARG 27 HE ARG 27 26.898 -10.569 2.138 207 HH11 ARG 27 HH11 ARG 27 23.975 -10.829 0.265 208 HH12 ARG 27 HH12 ARG 27 23.023 -9.906 1.380 209 HH21 ARG 27 HH21 ARG 27 25.655 -9.351 3.614 210 HH22 ARG 27 HH22 ARG 27 23.980 -9.065 3.284 211 H LYS 28 H LYS 28 24.327 -17.201 0.050 212 HA LYS 28 HA LYS 28 21.746 -16.656 -0.797 213 HB2 LYS 28 HB2 LYS 28 21.033 -18.298 0.958 214 HB3 LYS 28 HB3 LYS 28 22.323 -18.870 -0.093 215 HG2 LYS 28 HG2 LYS 28 23.937 -18.147 1.715 216 HG3 LYS 28 HG3 LYS 28 22.526 -17.943 2.756 217 HD2 LYS 28 HD2 LYS 28 21.924 -20.305 2.340 218 HD3 LYS 28 HD3 LYS 28 23.398 -20.487 1.385 219 HE2 LYS 28 HE2 LYS 28 23.176 -19.870 4.326 220 HE3 LYS 28 HE3 LYS 28 23.824 -21.331 3.582 221 HZ1 LYS 28 HZ1 LYS 28 25.441 -19.623 2.480 222 HZ2 LYS 28 HZ2 LYS 28 25.733 -20.198 4.044 223 HZ3 LYS 28 HZ3 LYS 28 25.037 -18.672 3.820 224 H LYS 29 H LYS 29 23.382 -15.700 2.164 225 HA LYS 29 HA LYS 29 20.961 -14.464 3.213 226 HB2 LYS 29 HB2 LYS 29 22.554 -15.718 4.689 227 HB3 LYS 29 HB3 LYS 29 23.745 -14.460 4.389 228 HG2 LYS 29 HG2 LYS 29 22.839 -13.827 6.411 229 HG3 LYS 29 HG3 LYS 29 21.920 -12.852 5.262 230 HD2 LYS 29 HD2 LYS 29 20.252 -14.841 5.300 231 HD3 LYS 29 HD3 LYS 29 21.064 -15.270 6.808 232 HE2 LYS 29 HE2 LYS 29 19.821 -12.585 6.222 233 HE3 LYS 29 HE3 LYS 29 19.039 -13.875 7.134 234 HZ1 LYS 29 HZ1 LYS 29 20.424 -11.961 8.293 235 HZ2 LYS 29 HZ2 LYS 29 21.691 -13.046 8.020 236 HZ3 LYS 29 HZ3 LYS 29 20.348 -13.527 8.929 Start of MODEL 19 1 H1 SER 1 H SER 1 4.402 1.123 0.309 2 HA SER 1 HA SER 1 1.957 1.144 -1.248 3 HB2 SER 1 HB2 SER 1 4.074 2.477 -1.801 4 HB3 SER 1 HB3 SER 1 4.762 0.946 -2.341 5 HG SER 1 HG SER 1 3.787 2.072 -4.064 6 H ALA 2 H ALA 2 1.118 -0.518 -2.385 7 HA ALA 2 HA ALA 2 1.990 -3.173 -1.750 8 HB1 ALA 2 HB1 ALA 2 0.088 -3.910 -3.061 9 HB2 ALA 2 HB2 ALA 2 -0.388 -2.595 -1.986 10 HB3 ALA 2 HB3 ALA 2 -0.129 -2.281 -3.702 11 H ILE 3 H ILE 3 2.467 -0.967 -4.381 12 HA ILE 3 HA ILE 3 3.038 -2.636 -6.501 13 HB ILE 3 HB ILE 3 4.507 -0.098 -5.779 14 HG12 ILE 3 HG12 ILE 3 2.084 -0.510 -7.545 15 HG13 ILE 3 HG13 ILE 3 2.043 0.158 -5.917 16 HG21 ILE 3 HG21 ILE 3 5.019 0.053 -8.158 17 HG22 ILE 3 HG22 ILE 3 5.675 -1.429 -7.463 18 HG23 ILE 3 HG23 ILE 3 4.207 -1.487 -8.439 19 HD11 ILE 3 HD11 ILE 3 2.090 2.105 -7.033 20 HD12 ILE 3 HD12 ILE 3 3.829 1.809 -7.047 21 HD13 ILE 3 HD13 ILE 3 2.853 1.397 -8.457 22 H LEU 4 H LEU 4 4.958 -1.949 -3.664 23 HA LEU 4 HA LEU 4 7.472 -2.769 -4.454 24 HB2 LEU 4 HB2 LEU 4 6.918 -1.802 -2.257 25 HB3 LEU 4 HB3 LEU 4 6.145 -3.319 -1.802 26 HG LEU 4 HG LEU 4 8.425 -4.402 -2.152 27 HD11 LEU 4 HD11 LEU 4 9.652 -2.836 -3.363 28 HD12 LEU 4 HD12 LEU 4 10.294 -2.698 -1.727 29 HD13 LEU 4 HD13 LEU 4 9.149 -1.499 -2.328 30 HD21 LEU 4 HD21 LEU 4 8.934 -4.120 0.070 31 HD22 LEU 4 HD22 LEU 4 7.251 -3.594 0.044 32 HD23 LEU 4 HD23 LEU 4 8.549 -2.399 0.054 33 H ALA 5 H ALA 5 4.733 -4.747 -3.408 34 HA ALA 5 HA ALA 5 6.203 -7.212 -3.615 35 HB1 ALA 5 HB1 ALA 5 4.302 -6.832 -2.030 36 HB2 ALA 5 HB2 ALA 5 3.217 -6.874 -3.420 37 HB3 ALA 5 HB3 ALA 5 4.172 -8.297 -3.004 38 H ILE 6 H ILE 6 4.301 -5.238 -5.722 39 HA ILE 6 HA ILE 6 3.689 -7.289 -7.627 40 HB ILE 6 HB ILE 6 3.685 -4.293 -8.009 41 HG12 ILE 6 HG12 ILE 6 1.347 -6.098 -7.374 42 HG13 ILE 6 HG13 ILE 6 2.217 -5.177 -6.153 43 HG21 ILE 6 HG21 ILE 6 1.769 -5.685 -9.597 44 HG22 ILE 6 HG22 ILE 6 3.120 -4.679 -10.118 45 HG23 ILE 6 HG23 ILE 6 3.359 -6.406 -9.852 46 HD11 ILE 6 HD11 ILE 6 1.652 -3.194 -7.832 47 HD12 ILE 6 HD12 ILE 6 0.309 -4.271 -8.214 48 HD13 ILE 6 HD13 ILE 6 0.549 -3.714 -6.558 49 H THR 7 H THR 7 5.797 -4.417 -7.864 50 HA THR 7 HA THR 7 7.092 -5.137 -10.216 51 HB THR 7 HB THR 7 7.227 -2.890 -9.135 52 HG1 THR 7 HG1 THR 7 8.830 -2.741 -10.498 53 HG21 THR 7 HG21 THR 7 8.966 -2.526 -7.430 54 HG22 THR 7 HG22 THR 7 9.234 -4.267 -7.345 55 HG23 THR 7 HG23 THR 7 7.685 -3.587 -6.847 56 H LEU 8 H LEU 8 7.660 -6.162 -6.926 57 HA LEU 8 HA LEU 8 10.198 -7.400 -7.526 58 HB2 LEU 8 HB2 LEU 8 9.456 -6.411 -5.287 59 HB3 LEU 8 HB3 LEU 8 8.521 -7.891 -5.084 60 HG LEU 8 HG LEU 8 11.448 -8.078 -5.645 61 HD11 LEU 8 HD11 LEU 8 10.193 -6.997 -3.197 62 HD12 LEU 8 HD12 LEU 8 11.799 -6.719 -3.871 63 HD13 LEU 8 HD13 LEU 8 11.462 -8.202 -2.977 64 HD21 LEU 8 HD21 LEU 8 11.188 -10.077 -4.205 65 HD22 LEU 8 HD22 LEU 8 10.174 -10.120 -5.648 66 HD23 LEU 8 HD23 LEU 8 9.464 -9.724 -4.082 67 H GLY 9 H GLY 9 6.891 -8.498 -6.829 68 HA2 GLY 9 HA2 GLY 9 7.391 -11.256 -6.964 69 HA3 GLY 9 HA3 GLY 9 5.836 -10.491 -7.252 70 H ILE 10 H ILE 10 6.657 -8.919 -9.500 71 HA ILE 10 HA ILE 10 6.440 -10.950 -11.534 72 HB ILE 10 HB ILE 10 6.641 -7.950 -11.818 73 HG12 ILE 10 HG12 ILE 10 4.651 -8.596 -10.573 74 HG13 ILE 10 HG13 ILE 10 4.195 -8.071 -12.190 75 HG21 ILE 10 HG21 ILE 10 5.481 -8.575 -14.056 76 HG22 ILE 10 HG22 ILE 10 7.229 -8.741 -13.906 77 HG23 ILE 10 HG23 ILE 10 6.195 -10.163 -13.775 78 HD11 ILE 10 HD11 ILE 10 4.262 -10.576 -12.777 79 HD12 ILE 10 HD12 ILE 10 4.196 -10.823 -11.032 80 HD13 ILE 10 HD13 ILE 10 2.898 -9.952 -11.849 81 H PHE 11 H PHE 11 8.933 -8.969 -10.182 82 HA PHE 11 HA PHE 11 10.747 -9.321 -12.405 83 HB2 PHE 11 HB2 PHE 11 10.818 -7.268 -11.047 84 HB3 PHE 11 HB3 PHE 11 11.245 -8.222 -9.630 85 HD1 PHE 11 HD1 PHE 11 13.467 -9.007 -9.289 86 HD2 PHE 11 HD2 PHE 11 12.416 -7.000 -12.892 87 HE1 PHE 11 HE1 PHE 11 15.851 -8.782 -9.855 88 HE2 PHE 11 HE2 PHE 11 14.798 -6.773 -13.465 89 HZ PHE 11 HZ PHE 11 16.519 -7.665 -11.946 90 H ALA 12 H ALA 12 9.999 -10.908 -9.420 91 HA ALA 12 HA ALA 12 12.424 -12.313 -9.051 92 HB1 ALA 12 HB1 ALA 12 11.394 -12.856 -7.165 93 HB2 ALA 12 HB2 ALA 12 9.889 -12.171 -7.780 94 HB3 ALA 12 HB3 ALA 12 10.267 -13.870 -8.067 95 H THR 13 H THR 13 9.299 -13.515 -10.295 96 HA THR 13 HA THR 13 10.191 -15.996 -11.163 97 HB THR 13 HB THR 13 8.247 -15.351 -13.017 98 HG1 THR 13 HG1 THR 13 7.566 -13.453 -12.272 99 HG21 THR 13 HG21 THR 13 6.846 -16.193 -10.770 100 HG22 THR 13 HG22 THR 13 8.473 -16.833 -10.534 101 HG23 THR 13 HG23 THR 13 7.575 -17.224 -12.000 102 H GLY 14 H GLY 14 10.590 -12.861 -12.602 103 HA2 GLY 14 HA2 GLY 14 11.077 -13.601 -15.267 104 HA3 GLY 14 HA3 GLY 14 11.705 -12.160 -14.481 105 H TYR 15 H TYR 15 13.059 -13.887 -12.431 106 HA TYR 15 HA TYR 15 15.523 -14.205 -13.889 107 HB2 TYR 15 HB2 TYR 15 14.695 -14.107 -11.071 108 HB3 TYR 15 HB3 TYR 15 16.026 -15.212 -11.393 109 HD1 TYR 15 HD1 TYR 15 15.137 -11.867 -12.805 110 HD2 TYR 15 HD2 TYR 15 18.002 -14.224 -10.722 111 HE1 TYR 15 HE1 TYR 15 16.701 -9.968 -12.820 112 HE2 TYR 15 HE2 TYR 15 19.573 -12.332 -10.730 113 HH TYR 15 HH TYR 15 19.510 -9.886 -10.915 114 H GLY 16 H GLY 16 14.074 -16.447 -11.536 115 HA2 GLY 16 HA2 GLY 16 13.290 -18.622 -12.674 116 HA3 GLY 16 HA3 GLY 16 14.945 -18.665 -13.266 117 H MET 17 H MET 17 13.512 -20.566 -11.549 118 HA MET 17 HA MET 17 14.107 -20.455 -8.876 119 HB2 MET 17 HB2 MET 17 14.290 -22.973 -8.999 120 HB3 MET 17 HB3 MET 17 12.822 -22.284 -9.679 121 HG2 MET 17 HG2 MET 17 13.914 -22.427 -11.931 122 HG3 MET 17 HG3 MET 17 15.212 -23.339 -11.163 123 HE1 MET 17 HE1 MET 17 14.112 -26.440 -12.499 124 HE2 MET 17 HE2 MET 17 13.465 -25.203 -13.577 125 HE3 MET 17 HE3 MET 17 15.020 -24.954 -12.781 126 H GLY 18 H GLY 18 16.226 -21.662 -11.472 127 HA2 GLY 18 HA2 GLY 18 18.435 -21.969 -9.614 128 HA3 GLY 18 HA3 GLY 18 18.455 -22.337 -11.332 129 H VAL 19 H VAL 19 17.419 -19.727 -12.115 130 HA VAL 19 HA VAL 19 19.808 -18.368 -12.550 131 HB VAL 19 HB VAL 19 17.005 -17.239 -12.545 132 HG11 VAL 19 HG11 VAL 19 19.594 -16.152 -13.635 133 HG12 VAL 19 HG12 VAL 19 18.005 -15.552 -14.114 134 HG13 VAL 19 HG13 VAL 19 18.532 -15.415 -12.436 135 HG21 VAL 19 HG21 VAL 19 16.782 -18.682 -14.253 136 HG22 VAL 19 HG22 VAL 19 17.740 -17.503 -15.148 137 HG23 VAL 19 HG23 VAL 19 18.523 -18.908 -14.423 138 H GLN 20 H GLN 20 17.156 -17.275 -10.423 139 HA GLN 20 HA GLN 20 18.664 -15.273 -9.153 140 HB2 GLN 20 HB2 GLN 20 16.856 -15.212 -7.500 141 HB3 GLN 20 HB3 GLN 20 16.221 -15.281 -9.139 142 HG2 GLN 20 HG2 GLN 20 14.941 -16.952 -8.454 143 HG3 GLN 20 HG3 GLN 20 16.404 -17.934 -8.385 144 HE21 GLN 20 HE21 GLN 20 15.520 -19.164 -6.702 145 HE22 GLN 20 HE22 GLN 20 15.430 -18.557 -5.088 146 H LYS 21 H LYS 21 18.567 -18.674 -8.715 147 HA LYS 21 HA LYS 21 19.314 -18.886 -6.018 148 HB2 LYS 21 HB2 LYS 21 18.812 -20.650 -8.090 149 HB3 LYS 21 HB3 LYS 21 20.518 -20.907 -7.749 150 HG2 LYS 21 HG2 LYS 21 20.038 -21.417 -5.451 151 HG3 LYS 21 HG3 LYS 21 18.337 -21.004 -5.677 152 HD2 LYS 21 HD2 LYS 21 19.485 -23.067 -7.472 153 HD3 LYS 21 HD3 LYS 21 19.236 -23.514 -5.783 154 HE2 LYS 21 HE2 LYS 21 16.883 -22.312 -6.310 155 HE3 LYS 21 HE3 LYS 21 17.272 -22.942 -7.910 156 HZ1 LYS 21 HZ1 LYS 21 15.963 -24.498 -6.560 157 HZ2 LYS 21 HZ2 LYS 21 17.214 -24.564 -5.423 158 HZ3 LYS 21 HZ3 LYS 21 17.467 -25.141 -6.993 159 H ALA 22 H ALA 22 21.104 -17.979 -8.832 160 HA ALA 22 HA ALA 22 23.707 -18.606 -8.149 161 HB1 ALA 22 HB1 ALA 22 22.884 -17.558 -10.290 162 HB2 ALA 22 HB2 ALA 22 22.915 -16.010 -9.445 163 HB3 ALA 22 HB3 ALA 22 24.406 -16.926 -9.662 164 H ILE 23 H ILE 23 21.748 -15.849 -7.111 165 HA ILE 23 HA ILE 23 23.902 -14.730 -5.545 166 HB ILE 23 HB ILE 23 20.991 -13.942 -5.477 167 HG12 ILE 23 HG12 ILE 23 21.817 -13.856 -7.785 168 HG13 ILE 23 HG13 ILE 23 21.561 -12.235 -7.150 169 HG21 ILE 23 HG21 ILE 23 22.074 -12.957 -3.654 170 HG22 ILE 23 HG22 ILE 23 23.545 -12.652 -4.577 171 HG23 ILE 23 HG23 ILE 23 22.093 -11.704 -4.895 172 HD11 ILE 23 HD11 ILE 23 23.623 -12.444 -8.470 173 HD12 ILE 23 HD12 ILE 23 23.928 -11.958 -6.802 174 HD13 ILE 23 HD13 ILE 23 24.226 -13.622 -7.304 175 H ASN 24 H ASN 24 21.347 -16.979 -5.081 176 HA ASN 24 HA ASN 24 21.197 -16.673 -2.220 177 HB2 ASN 24 HB2 ASN 24 20.138 -18.884 -3.996 178 HB3 ASN 24 HB3 ASN 24 19.721 -18.633 -2.304 179 HD21 ASN 24 HD21 ASN 24 19.323 -15.972 -2.147 180 HD22 ASN 24 HD22 ASN 24 17.999 -15.499 -3.151 181 H ASP 25 H ASP 25 23.082 -18.489 -4.472 182 HA ASP 25 HA ASP 25 23.941 -20.478 -2.571 183 HB2 ASP 25 HB2 ASP 25 23.818 -20.592 -5.206 184 HB3 ASP 25 HB3 ASP 25 25.442 -19.919 -5.096 185 H ARG 26 H ARG 26 24.985 -17.342 -3.620 186 HA ARG 26 HA ARG 26 27.681 -17.503 -2.767 187 HB2 ARG 26 HB2 ARG 26 25.850 -15.130 -3.145 188 HB3 ARG 26 HB3 ARG 26 27.569 -14.998 -2.797 189 HG2 ARG 26 HG2 ARG 26 26.557 -16.534 -5.164 190 HG3 ARG 26 HG3 ARG 26 26.824 -14.791 -5.226 191 HD2 ARG 26 HD2 ARG 26 28.968 -16.641 -4.247 192 HD3 ARG 26 HD3 ARG 26 28.721 -16.382 -5.974 193 HE ARG 26 HE ARG 26 28.920 -13.916 -4.574 194 HH11 ARG 26 HH11 ARG 26 30.806 -16.559 -5.829 195 HH12 ARG 26 HH12 ARG 26 32.241 -15.610 -6.032 196 HH21 ARG 26 HH21 ARG 26 30.803 -12.656 -4.836 197 HH22 ARG 26 HH22 ARG 26 32.239 -13.391 -5.466 198 H ARG 27 H ARG 27 24.768 -16.174 -1.213 199 HA ARG 27 HA ARG 27 25.698 -16.922 1.386 200 HB2 ARG 27 HB2 ARG 27 26.875 -14.678 0.694 201 HB3 ARG 27 HB3 ARG 27 25.315 -13.969 1.088 202 HG2 ARG 27 HG2 ARG 27 26.478 -13.760 3.067 203 HG3 ARG 27 HG3 ARG 27 25.565 -15.249 3.320 204 HD2 ARG 27 HD2 ARG 27 27.420 -16.565 3.227 205 HD3 ARG 27 HD3 ARG 27 28.255 -15.495 2.101 206 HE ARG 27 HE ARG 27 27.941 -14.359 4.714 207 HH11 ARG 27 HH11 ARG 27 29.895 -16.460 2.742 208 HH12 ARG 27 HH12 ARG 27 31.329 -16.229 3.688 209 HH21 ARG 27 HH21 ARG 27 29.822 -14.047 5.967 210 HH22 ARG 27 HH22 ARG 27 31.286 -14.858 5.522 211 H LYS 28 H LYS 28 23.369 -17.232 -0.375 212 HA LYS 28 HA LYS 28 21.092 -17.218 -0.300 213 HB2 LYS 28 HB2 LYS 28 21.688 -16.999 2.655 214 HB3 LYS 28 HB3 LYS 28 20.103 -17.368 1.988 215 HG2 LYS 28 HG2 LYS 28 20.834 -19.474 2.422 216 HG3 LYS 28 HG3 LYS 28 21.446 -19.290 0.777 217 HD2 LYS 28 HD2 LYS 28 23.389 -19.962 1.708 218 HD3 LYS 28 HD3 LYS 28 23.513 -18.266 2.180 219 HE2 LYS 28 HE2 LYS 28 22.054 -20.152 3.966 220 HE3 LYS 28 HE3 LYS 28 23.816 -20.203 3.940 221 HZ1 LYS 28 HZ1 LYS 28 23.512 -17.625 4.209 222 HZ2 LYS 28 HZ2 LYS 28 23.481 -18.655 5.551 223 HZ3 LYS 28 HZ3 LYS 28 22.033 -18.086 4.888 224 H LYS 29 H LYS 29 22.322 -14.690 -0.769 225 HA LYS 29 HA LYS 29 20.897 -12.705 0.762 226 HB2 LYS 29 HB2 LYS 29 23.226 -12.499 -0.376 227 HB3 LYS 29 HB3 LYS 29 22.303 -12.160 -1.835 228 HG2 LYS 29 HG2 LYS 29 21.120 -10.379 -0.368 229 HG3 LYS 29 HG3 LYS 29 22.535 -10.555 0.673 230 HD2 LYS 29 HD2 LYS 29 23.953 -9.642 -0.872 231 HD3 LYS 29 HD3 LYS 29 22.984 -10.185 -2.243 232 HE2 LYS 29 HE2 LYS 29 22.581 -7.925 -2.295 233 HE3 LYS 29 HE3 LYS 29 21.240 -8.478 -1.294 234 HZ1 LYS 29 HZ1 LYS 29 22.862 -6.499 -0.598 235 HZ2 LYS 29 HZ2 LYS 29 23.686 -7.792 0.116 236 HZ3 LYS 29 HZ3 LYS 29 22.075 -7.485 0.529 Start of MODEL 20 1 H1 SER 1 H SER 1 5.947 2.289 -2.027 2 HA SER 1 HA SER 1 3.032 2.663 -1.973 3 HB2 SER 1 HB2 SER 1 3.388 3.660 -4.017 4 HB3 SER 1 HB3 SER 1 4.860 2.741 -4.329 5 HG SER 1 HG SER 1 2.173 1.912 -4.602 6 H ALA 2 H ALA 2 1.798 0.801 -2.435 7 HA ALA 2 HA ALA 2 2.856 -1.610 -1.442 8 HB1 ALA 2 HB1 ALA 2 0.294 -0.765 -2.669 9 HB2 ALA 2 HB2 ALA 2 0.647 -2.493 -2.633 10 HB3 ALA 2 HB3 ALA 2 0.606 -1.570 -1.131 11 H ILE 3 H ILE 3 2.731 -0.274 -4.633 12 HA ILE 3 HA ILE 3 2.868 -2.540 -6.227 13 HB ILE 3 HB ILE 3 4.300 0.084 -6.658 14 HG12 ILE 3 HG12 ILE 3 1.904 0.403 -6.374 15 HG13 ILE 3 HG13 ILE 3 2.336 0.633 -8.065 16 HG21 ILE 3 HG21 ILE 3 4.040 -0.618 -9.096 17 HG22 ILE 3 HG22 ILE 3 5.276 -1.441 -8.146 18 HG23 ILE 3 HG23 ILE 3 3.738 -2.240 -8.473 19 HD11 ILE 3 HD11 ILE 3 1.628 -1.770 -8.421 20 HD12 ILE 3 HD12 ILE 3 0.925 -1.693 -6.805 21 HD13 ILE 3 HD13 ILE 3 0.349 -0.608 -8.070 22 H LEU 4 H LEU 4 5.262 -1.151 -4.138 23 HA LEU 4 HA LEU 4 7.619 -2.138 -5.204 24 HB2 LEU 4 HB2 LEU 4 7.105 -0.686 -3.080 25 HB3 LEU 4 HB3 LEU 4 7.175 -2.242 -2.257 26 HG LEU 4 HG LEU 4 9.449 -1.464 -4.017 27 HD11 LEU 4 HD11 LEU 4 8.575 0.034 -1.674 28 HD12 LEU 4 HD12 LEU 4 9.759 0.450 -2.912 29 HD13 LEU 4 HD13 LEU 4 10.229 -0.565 -1.548 30 HD21 LEU 4 HD21 LEU 4 8.923 -3.619 -2.447 31 HD22 LEU 4 HD22 LEU 4 9.864 -2.610 -1.348 32 HD23 LEU 4 HD23 LEU 4 10.539 -3.083 -2.907 33 H ALA 5 H ALA 5 5.084 -3.802 -3.482 34 HA ALA 5 HA ALA 5 6.647 -6.213 -3.126 35 HB1 ALA 5 HB1 ALA 5 5.104 -5.776 -1.391 36 HB2 ALA 5 HB2 ALA 5 3.783 -5.514 -2.530 37 HB3 ALA 5 HB3 ALA 5 4.442 -7.134 -2.301 38 H ILE 6 H ILE 6 4.468 -4.876 -5.452 39 HA ILE 6 HA ILE 6 3.870 -7.417 -6.701 40 HB ILE 6 HB ILE 6 3.286 -4.604 -7.635 41 HG12 ILE 6 HG12 ILE 6 1.142 -6.441 -6.727 42 HG13 ILE 6 HG13 ILE 6 2.203 -5.802 -5.476 43 HG21 ILE 6 HG21 ILE 6 1.516 -5.978 -8.984 44 HG22 ILE 6 HG22 ILE 6 3.164 -5.808 -9.587 45 HG23 ILE 6 HG23 ILE 6 2.674 -7.292 -8.770 46 HD11 ILE 6 HD11 ILE 6 1.013 -3.945 -5.455 47 HD12 ILE 6 HD12 ILE 6 1.469 -3.641 -7.132 48 HD13 ILE 6 HD13 ILE 6 0.005 -4.553 -6.767 49 H THR 7 H THR 7 5.406 -4.417 -7.881 50 HA THR 7 HA THR 7 6.469 -5.405 -10.224 51 HB THR 7 HB THR 7 6.487 -3.003 -9.513 52 HG1 THR 7 HG1 THR 7 7.692 -3.416 -11.304 53 HG21 THR 7 HG21 THR 7 8.268 -2.157 -8.147 54 HG22 THR 7 HG22 THR 7 9.011 -3.752 -8.038 55 HG23 THR 7 HG23 THR 7 7.464 -3.444 -7.250 56 H LEU 8 H LEU 8 7.619 -5.814 -6.954 57 HA LEU 8 HA LEU 8 10.200 -6.821 -7.709 58 HB2 LEU 8 HB2 LEU 8 9.628 -5.696 -5.526 59 HB3 LEU 8 HB3 LEU 8 8.795 -7.181 -5.072 60 HG LEU 8 HG LEU 8 11.623 -7.444 -5.909 61 HD11 LEU 8 HD11 LEU 8 10.784 -5.637 -3.800 62 HD12 LEU 8 HD12 LEU 8 12.378 -5.884 -4.513 63 HD13 LEU 8 HD13 LEU 8 11.825 -6.930 -3.205 64 HD21 LEU 8 HD21 LEU 8 9.669 -8.767 -4.120 65 HD22 LEU 8 HD22 LEU 8 11.368 -8.840 -3.651 66 HD23 LEU 8 HD23 LEU 8 10.858 -9.466 -5.219 67 H GLY 9 H GLY 9 7.334 -8.341 -6.211 68 HA2 GLY 9 HA2 GLY 9 8.194 -10.975 -6.317 69 HA3 GLY 9 HA3 GLY 9 6.510 -10.478 -6.372 70 H ILE 10 H ILE 10 6.657 -9.046 -8.840 71 HA ILE 10 HA ILE 10 6.391 -11.267 -10.643 72 HB ILE 10 HB ILE 10 6.190 -8.303 -11.191 73 HG12 ILE 10 HG12 ILE 10 4.519 -9.052 -9.577 74 HG13 ILE 10 HG13 ILE 10 3.753 -8.699 -11.123 75 HG21 ILE 10 HG21 ILE 10 4.659 -9.606 -13.057 76 HG22 ILE 10 HG22 ILE 10 6.272 -8.948 -13.329 77 HG23 ILE 10 HG23 ILE 10 6.073 -10.651 -12.915 78 HD11 ILE 10 HD11 ILE 10 3.823 -11.142 -11.619 79 HD12 ILE 10 HD12 ILE 10 4.376 -11.399 -9.964 80 HD13 ILE 10 HD13 ILE 10 2.790 -10.689 -10.263 81 H PHE 11 H PHE 11 8.830 -8.928 -9.904 82 HA PHE 11 HA PHE 11 10.279 -9.299 -12.375 83 HB2 PHE 11 HB2 PHE 11 10.387 -7.137 -11.260 84 HB3 PHE 11 HB3 PHE 11 11.037 -7.890 -9.808 85 HD1 PHE 11 HD1 PHE 11 11.922 -8.364 -13.392 86 HD2 PHE 11 HD2 PHE 11 13.175 -7.069 -9.535 87 HE1 PHE 11 HE1 PHE 11 14.205 -8.034 -14.248 88 HE2 PHE 11 HE2 PHE 11 15.460 -6.736 -10.386 89 HZ PHE 11 HZ PHE 11 15.977 -7.217 -12.745 90 H ALA 12 H ALA 12 10.218 -10.685 -9.202 91 HA ALA 12 HA ALA 12 12.788 -11.773 -9.050 92 HB1 ALA 12 HB1 ALA 12 12.000 -12.438 -7.088 93 HB2 ALA 12 HB2 ALA 12 10.377 -11.952 -7.580 94 HB3 ALA 12 HB3 ALA 12 10.937 -13.595 -7.889 95 H THR 13 H THR 13 9.796 -13.193 -10.351 96 HA THR 13 HA THR 13 10.845 -15.672 -11.091 97 HB THR 13 HB THR 13 8.434 -15.209 -11.067 98 HG1 THR 13 HG1 THR 13 9.007 -15.879 -13.742 99 HG21 THR 13 HG21 THR 13 8.159 -14.054 -13.678 100 HG22 THR 13 HG22 THR 13 9.155 -13.005 -12.668 101 HG23 THR 13 HG23 THR 13 7.540 -13.470 -12.134 102 H GLY 14 H GLY 14 11.219 -12.553 -12.533 103 HA2 GLY 14 HA2 GLY 14 11.745 -13.161 -15.186 104 HA3 GLY 14 HA3 GLY 14 12.499 -11.842 -14.302 105 H TYR 15 H TYR 15 13.782 -13.626 -12.372 106 HA TYR 15 HA TYR 15 16.134 -14.214 -13.930 107 HB2 TYR 15 HB2 TYR 15 15.558 -14.589 -10.984 108 HB3 TYR 15 HB3 TYR 15 17.130 -14.822 -11.740 109 HD1 TYR 15 HD1 TYR 15 14.561 -12.311 -10.882 110 HD2 TYR 15 HD2 TYR 15 18.533 -12.968 -12.261 111 HE1 TYR 15 HE1 TYR 15 15.062 -9.925 -10.559 112 HE2 TYR 15 HE2 TYR 15 19.045 -10.584 -11.940 113 HH TYR 15 HH TYR 15 18.255 -8.592 -11.367 114 H GLY 16 H GLY 16 14.611 -16.232 -11.425 115 HA2 GLY 16 HA2 GLY 16 13.581 -18.365 -12.444 116 HA3 GLY 16 HA3 GLY 16 15.196 -18.579 -13.102 117 H MET 17 H MET 17 13.694 -20.292 -11.265 118 HA MET 17 HA MET 17 14.404 -20.140 -8.621 119 HB2 MET 17 HB2 MET 17 14.371 -22.666 -8.657 120 HB3 MET 17 HB3 MET 17 12.940 -21.880 -9.309 121 HG2 MET 17 HG2 MET 17 13.927 -22.193 -11.591 122 HG3 MET 17 HG3 MET 17 15.174 -23.184 -10.837 123 HE1 MET 17 HE1 MET 17 11.504 -23.821 -12.584 124 HE2 MET 17 HE2 MET 17 10.718 -23.895 -11.007 125 HE3 MET 17 HE3 MET 17 11.648 -22.467 -11.462 126 H GLY 18 H GLY 18 16.307 -21.604 -11.252 127 HA2 GLY 18 HA2 GLY 18 18.558 -22.037 -9.471 128 HA3 GLY 18 HA3 GLY 18 18.477 -22.458 -11.175 129 H VAL 19 H VAL 19 17.626 -19.793 -12.002 130 HA VAL 19 HA VAL 19 20.101 -18.654 -12.575 131 HB VAL 19 HB VAL 19 17.402 -17.298 -12.505 132 HG11 VAL 19 HG11 VAL 19 20.091 -16.408 -13.419 133 HG12 VAL 19 HG12 VAL 19 18.674 -15.905 -14.343 134 HG13 VAL 19 HG13 VAL 19 18.805 -15.493 -12.632 135 HG21 VAL 19 HG21 VAL 19 16.980 -18.730 -14.176 136 HG22 VAL 19 HG22 VAL 19 18.059 -17.710 -15.128 137 HG23 VAL 19 HG23 VAL 19 18.679 -19.169 -14.356 138 H GLN 20 H GLN 20 17.635 -17.278 -10.390 139 HA GLN 20 HA GLN 20 19.345 -15.365 -9.249 140 HB2 GLN 20 HB2 GLN 20 17.623 -15.118 -7.522 141 HB3 GLN 20 HB3 GLN 20 16.911 -15.187 -9.129 142 HG2 GLN 20 HG2 GLN 20 15.539 -16.729 -8.328 143 HG3 GLN 20 HG3 GLN 20 16.923 -17.821 -8.306 144 HE21 GLN 20 HE21 GLN 20 16.026 -18.937 -6.549 145 HE22 GLN 20 HE22 GLN 20 16.071 -18.288 -4.949 146 H LYS 21 H LYS 21 19.011 -18.735 -8.691 147 HA LYS 21 HA LYS 21 19.867 -18.917 -6.023 148 HB2 LYS 21 HB2 LYS 21 19.100 -20.704 -7.969 149 HB3 LYS 21 HB3 LYS 21 20.808 -21.072 -7.773 150 HG2 LYS 21 HG2 LYS 21 19.930 -22.470 -6.212 151 HG3 LYS 21 HG3 LYS 21 20.172 -21.033 -5.215 152 HD2 LYS 21 HD2 LYS 21 18.012 -21.371 -4.661 153 HD3 LYS 21 HD3 LYS 21 17.698 -20.547 -6.190 154 HE2 LYS 21 HE2 LYS 21 16.369 -22.510 -6.189 155 HE3 LYS 21 HE3 LYS 21 17.716 -22.812 -7.287 156 HZ1 LYS 21 HZ1 LYS 21 18.451 -24.474 -6.024 157 HZ2 LYS 21 HZ2 LYS 21 16.948 -24.428 -5.250 158 HZ3 LYS 21 HZ3 LYS 21 18.267 -23.604 -4.585 159 H ALA 22 H ALA 22 21.594 -18.314 -8.969 160 HA ALA 22 HA ALA 22 24.166 -19.101 -8.351 161 HB1 ALA 22 HB1 ALA 22 23.321 -18.105 -10.515 162 HB2 ALA 22 HB2 ALA 22 23.537 -16.523 -9.766 163 HB3 ALA 22 HB3 ALA 22 24.925 -17.586 -9.997 164 H ILE 23 H ILE 23 22.471 -16.148 -7.395 165 HA ILE 23 HA ILE 23 24.733 -14.985 -6.095 166 HB ILE 23 HB ILE 23 21.815 -14.334 -5.669 167 HG12 ILE 23 HG12 ILE 23 23.788 -13.127 -7.622 168 HG13 ILE 23 HG13 ILE 23 22.457 -14.196 -8.051 169 HG21 ILE 23 HG21 ILE 23 22.685 -12.128 -4.995 170 HG22 ILE 23 HG22 ILE 23 23.241 -13.427 -3.941 171 HG23 ILE 23 HG23 ILE 23 24.328 -12.750 -5.153 172 HD11 ILE 23 HD11 ILE 23 21.318 -12.115 -6.570 173 HD12 ILE 23 HD12 ILE 23 22.462 -11.361 -7.681 174 HD13 ILE 23 HD13 ILE 23 21.187 -12.409 -8.303 175 H ASN 24 H ASN 24 22.286 -17.253 -5.182 176 HA ASN 24 HA ASN 24 22.665 -16.911 -2.342 177 HB2 ASN 24 HB2 ASN 24 21.248 -19.121 -3.848 178 HB3 ASN 24 HB3 ASN 24 21.138 -18.809 -2.119 179 HD21 ASN 24 HD21 ASN 24 20.877 -16.104 -2.034 180 HD22 ASN 24 HD22 ASN 24 19.398 -15.630 -2.791 181 H ASP 25 H ASP 25 23.887 -18.979 -4.879 182 HA ASP 25 HA ASP 25 24.933 -21.093 -3.441 183 HB2 ASP 25 HB2 ASP 25 24.930 -20.766 -5.961 184 HB3 ASP 25 HB3 ASP 25 26.371 -19.775 -5.745 185 H ARG 26 H ARG 26 26.090 -17.808 -3.702 186 HA ARG 26 HA ARG 26 28.518 -18.481 -2.210 187 HB2 ARG 26 HB2 ARG 26 27.646 -15.989 -3.670 188 HB3 ARG 26 HB3 ARG 26 29.082 -16.046 -2.657 189 HG2 ARG 26 HG2 ARG 26 29.868 -17.964 -4.105 190 HG3 ARG 26 HG3 ARG 26 28.549 -17.547 -5.201 191 HD2 ARG 26 HD2 ARG 26 29.467 -15.450 -5.691 192 HD3 ARG 26 HD3 ARG 26 30.533 -15.492 -4.288 193 HE ARG 26 HE ARG 26 31.086 -16.527 -6.876 194 HH11 ARG 26 HH11 ARG 26 31.636 -17.093 -3.485 195 HH12 ARG 26 HH12 ARG 26 33.127 -17.939 -3.735 196 HH21 ARG 26 HH21 ARG 26 33.048 -17.639 -7.217 197 HH22 ARG 26 HH22 ARG 26 33.930 -18.249 -5.858 198 H ARG 27 H ARG 27 25.753 -16.248 -2.062 199 HA ARG 27 HA ARG 27 26.044 -16.219 0.862 200 HB2 ARG 27 HB2 ARG 27 25.503 -13.811 -0.887 201 HB3 ARG 27 HB3 ARG 27 25.439 -13.817 0.871 202 HG2 ARG 27 HG2 ARG 27 27.771 -14.191 1.045 203 HG3 ARG 27 HG3 ARG 27 27.908 -14.545 -0.678 204 HD2 ARG 27 HD2 ARG 27 28.735 -12.322 -0.257 205 HD3 ARG 27 HD3 ARG 27 27.229 -12.219 -1.169 206 HE ARG 27 HE ARG 27 26.539 -12.030 1.500 207 HH11 ARG 27 HH11 ARG 27 28.482 -10.248 -0.773 208 HH12 ARG 27 HH12 ARG 27 28.222 -8.721 0.003 209 HH21 ARG 27 HH21 ARG 27 26.189 -10.026 2.531 210 HH22 ARG 27 HH22 ARG 27 26.919 -8.596 1.883 211 H LYS 28 H LYS 28 24.353 -17.905 0.495 212 HA LYS 28 HA LYS 28 21.852 -17.455 -0.592 213 HB2 LYS 28 HB2 LYS 28 21.044 -19.242 0.859 214 HB3 LYS 28 HB3 LYS 28 22.624 -19.649 0.202 215 HG2 LYS 28 HG2 LYS 28 22.568 -18.311 2.840 216 HG3 LYS 28 HG3 LYS 28 21.999 -19.980 2.764 217 HD2 LYS 28 HD2 LYS 28 24.212 -20.330 1.387 218 HD3 LYS 28 HD3 LYS 28 24.717 -18.868 2.238 219 HE2 LYS 28 HE2 LYS 28 23.629 -21.326 3.601 220 HE3 LYS 28 HE3 LYS 28 25.347 -21.009 3.368 221 HZ1 LYS 28 HZ1 LYS 28 24.251 -20.332 5.573 222 HZ2 LYS 28 HZ2 LYS 28 23.630 -19.021 4.705 223 HZ3 LYS 28 HZ3 LYS 28 25.303 -19.236 4.828 224 H LYS 29 H LYS 29 19.766 -17.304 0.707 225 HA LYS 29 HA LYS 29 20.034 -15.251 2.804 226 HB2 LYS 29 HB2 LYS 29 19.168 -14.522 0.470 227 HB3 LYS 29 HB3 LYS 29 17.689 -15.356 0.929 228 HG2 LYS 29 HG2 LYS 29 18.822 -13.376 2.829 229 HG3 LYS 29 HG3 LYS 29 18.028 -12.780 1.369 230 HD2 LYS 29 HD2 LYS 29 16.653 -14.865 2.992 231 HD3 LYS 29 HD3 LYS 29 16.671 -13.204 3.590 232 HE2 LYS 29 HE2 LYS 29 15.787 -12.492 1.353 233 HE3 LYS 29 HE3 LYS 29 15.590 -14.199 0.959 234 HZ1 LYS 29 HZ1 LYS 29 13.936 -12.509 2.556 235 HZ2 LYS 29 HZ2 LYS 29 14.379 -13.910 3.392 236 HZ3 LYS 29 HZ3 LYS 29 13.598 -14.030 1.896
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