NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
560017 | 2m5p | 19070 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS 1 HT1 HIS 1 20.360 -29.872 7.490 2 H2 HIS 1 HT2 HIS 1 20.078 -28.324 8.132 3 H3 HIS 1 HT3 HIS 1 21.477 -29.186 8.567 4 HA HIS 1 HA HIS 1 22.167 -29.105 6.176 5 HB2 HIS 1 HB2 HIS 1 21.083 -27.594 4.705 6 HB3 HIS 1 HB1 HIS 1 19.780 -28.554 5.424 7 HD2 HIS 1 HD2 HIS 1 20.361 -24.968 4.731 8 HE1 HIS 1 HE1 HIS 1 18.254 -24.915 8.386 9 HE2 HIS 1 HE2 HIS 1 19.043 -23.493 6.433 10 H AIB 2 HN AIB 2 23.287 -27.261 5.348 11 HB11 AIB 2 HB11 AIB 2 26.158 -25.285 6.984 12 HB12 AIB 2 HB12 AIB 2 25.853 -26.983 6.584 13 HB13 AIB 2 HB13 AIB 2 25.310 -26.327 8.132 14 HB21 AIB 2 HB21 AIB 2 22.414 -24.658 7.137 15 HB22 AIB 2 HB22 AIB 2 23.881 -23.682 7.104 16 HB23 AIB 2 HB23 AIB 2 23.656 -24.885 8.373 17 H GLN 3 HN GLN 3 22.504 -24.852 4.894 18 HA GLN 3 HA GLN 3 23.174 -24.688 2.443 19 HB2 GLN 3 HB2 GLN 3 22.765 -22.054 2.637 20 HB3 GLN 3 HB1 GLN 3 21.469 -23.228 2.824 21 HG2 GLN 3 HG2 GLN 3 21.813 -23.225 5.247 22 HG3 GLN 3 HG1 GLN 3 23.126 -22.081 5.072 23 HE21 GLN 3 HE21 GLN 3 20.472 -21.637 2.886 24 HE22 GLN 3 HE22 GLN 3 19.741 -20.340 3.701 25 H GLY 4 HN GLY 4 24.722 -22.887 4.814 26 HA2 GLY 4 HA2 GLY 4 26.803 -21.890 4.993 27 HA3 GLY 4 HA1 GLY 4 27.296 -22.842 3.595 28 H THR 5 HN THR 5 24.506 -21.170 3.026 29 HA THR 5 HA THR 5 25.291 -19.611 0.932 30 HB THR 5 HB THR 5 22.999 -19.988 1.395 31 HG1 THR 5 HG1 THR 5 23.993 -17.460 1.247 32 HG21 THR 5 HG21 THR 5 23.381 -18.376 3.889 33 HG22 THR 5 HG22 THR 5 23.284 -20.146 3.851 34 HG23 THR 5 HG23 THR 5 21.895 -19.167 3.375 35 H PHE 6 HN PHE 6 25.879 -19.243 4.128 36 HA PHE 6 HA PHE 6 26.681 -16.451 3.813 37 HB2 PHE 6 HB2 PHE 6 26.458 -16.283 6.219 38 HB3 PHE 6 HB1 PHE 6 24.978 -16.875 5.453 39 HD1 PHE 6 HD2 PHE 6 24.616 -19.359 5.396 40 HD2 PHE 6 HD1 PHE 6 27.448 -17.541 8.004 41 HE1 PHE 6 HE2 PHE 6 24.499 -21.341 6.802 42 HE2 PHE 6 HE1 PHE 6 27.354 -19.538 9.479 43 HZ PHE 6 HZ PHE 6 25.876 -21.451 8.886 44 H THR 7 HN THR 7 27.675 -19.146 5.774 45 HA THR 7 HA THR 7 30.380 -18.239 5.958 46 HB THR 7 HB THR 7 29.547 -19.587 7.753 47 HG1 THR 7 HG1 THR 7 31.395 -20.970 6.112 48 HG21 THR 7 HG21 THR 7 27.846 -20.737 6.581 49 HG22 THR 7 HG22 THR 7 28.899 -21.941 7.310 50 HG23 THR 7 HG23 THR 7 29.016 -21.587 5.584 51 H SER 8 HN SER 8 28.909 -19.129 3.344 52 HA SER 8 HA SER 8 30.401 -21.231 2.243 53 HB2 SER 8 HB2 SER 8 29.800 -19.799 0.047 54 HB3 SER 8 HB1 SER 8 28.644 -20.856 0.856 55 HG SER 8 HG SER 8 28.253 -18.851 2.191 56 H ASP 9 HN ASP 9 31.547 -18.463 3.336 57 HA ASP 9 HA ASP 9 33.562 -18.132 1.235 58 HB2 ASP 9 HB2 ASP 9 32.578 -16.076 1.822 59 HB3 ASP 9 HB1 ASP 9 32.637 -16.449 3.545 60 H TYR 10 HN TYR 10 33.308 -18.328 4.783 61 HA TYR 10 HA TYR 10 36.092 -18.837 5.189 62 HB2 TYR 10 HB2 TYR 10 34.151 -19.768 7.225 63 HB3 TYR 10 HB1 TYR 10 35.586 -18.763 7.415 64 HD1 TYR 10 HD2 TYR 10 35.325 -16.421 5.969 65 HD2 TYR 10 HD1 TYR 10 32.147 -18.708 7.737 66 HE1 TYR 10 HE2 TYR 10 33.892 -14.394 6.030 67 HE2 TYR 10 HE1 TYR 10 30.717 -16.698 7.794 68 HH TYR 10 HH TYR 10 31.280 -14.047 7.875 69 H SER 11 HN SER 11 33.661 -20.670 3.884 70 HA SER 11 HA SER 11 34.864 -23.220 4.768 71 HB2 SER 11 HB2 SER 11 32.273 -22.517 4.966 72 HB3 SER 11 HB1 SER 11 32.264 -23.206 3.345 73 HG SER 11 HG SER 11 32.544 -25.116 4.183 74 H LYS 12 HN LYS 12 33.253 -21.790 1.904 75 HA LYS 12 HA LYS 12 34.632 -23.669 0.169 76 HB2 LYS 12 HB2 LYS 12 33.122 -21.347 -0.947 77 HB3 LYS 12 HB1 LYS 12 33.253 -22.991 -1.540 78 HG2 LYS 12 HG2 LYS 12 31.827 -22.622 1.058 79 HG3 LYS 12 HG1 LYS 12 31.022 -22.032 -0.379 80 HD2 LYS 12 HD2 LYS 12 31.499 -24.349 -1.400 81 HD3 LYS 12 HD1 LYS 12 31.882 -24.856 0.246 82 HE2 LYS 12 HE2 LYS 12 29.613 -25.325 0.171 83 HE3 LYS 12 HE1 LYS 12 29.578 -23.671 0.783 84 HZ1 LYS 12 HZ1 LYS 12 28.548 -22.984 -1.038 85 HZ2 LYS 12 HZ2 LYS 12 28.368 -24.609 -1.501 86 HZ3 LYS 12 HZ3 LYS 12 29.699 -23.707 -2.055 87 H LYS 13 HN LYX 13 34.434 -20.111 0.414 88 HA LYS 13 HA LYX 13 37.135 -19.544 0.327 89 HB2 LYS 13 HB2 LYX 13 37.197 -18.753 -2.158 90 HB3 LYS 13 HB1 LYX 13 37.553 -20.441 -1.780 91 HG2 LYS 13 HG2 LYX 13 35.672 -21.195 -2.804 92 HG3 LYS 13 HG1 LYX 13 34.695 -19.838 -2.234 93 HD2 LYS 13 HD2 LYX 13 35.539 -18.392 -3.953 94 HD3 LYS 13 HD1 LYX 13 36.794 -19.544 -4.398 95 HE2 LYS 13 HE2 LYX 13 35.123 -19.776 -6.064 96 HE3 LYS 13 HE1 LYX 13 34.880 -21.151 -4.998 97 HZ1 LYS 13 HZ1 LYX 13 33.278 -18.679 -4.720 98 H LEU 14 HN LEU 14 35.323 -18.072 -2.211 99 HA LEU 14 HA LEU 14 35.075 -15.649 -0.591 100 HB2 LEU 14 HB2 LEU 14 36.367 -15.483 -2.693 101 HB3 LEU 14 HB1 LEU 14 34.942 -15.996 -3.594 102 HG LEU 14 HG LEU 14 33.712 -14.008 -2.779 103 HD11 LEU 14 HD11 LEU 14 36.247 -13.659 -1.225 104 HD12 LEU 14 HD12 LEU 14 34.581 -13.357 -0.733 105 HD13 LEU 14 HD13 LEU 14 35.410 -12.212 -1.787 106 HD21 LEU 14 HD21 LEU 14 36.315 -13.728 -4.248 107 HD22 LEU 14 HD22 LEU 14 35.379 -12.281 -3.874 108 HD23 LEU 14 HD23 LEU 14 34.669 -13.561 -4.857 109 H ASP 15 HN ASP 15 33.108 -14.409 -0.660 110 HA ASP 15 HA ASP 15 30.723 -16.039 -1.313 111 HB2 ASP 15 HB2 ASP 15 30.439 -15.732 0.933 112 HB3 ASP 15 HB1 ASP 15 31.390 -14.247 0.961 113 H AIB 16 HN AIB 16 31.945 -12.696 -1.185 114 HB11 AIB 16 HB11 AIB 16 29.118 -10.392 -2.537 115 HB12 AIB 16 HB12 AIB 16 28.973 -11.880 -1.603 116 HB13 AIB 16 HB13 AIB 16 28.797 -11.921 -3.357 117 HB21 AIB 16 HB21 AIB 16 32.298 -10.161 -2.974 118 HB22 AIB 16 HB22 AIB 16 32.055 -10.617 -1.288 119 HB23 AIB 16 HB23 AIB 16 30.854 -9.623 -2.114 120 H ARG 17 HN ARG 17 31.728 -13.846 -3.733 121 HA ARG 17 HA ARG 17 32.799 -12.957 -6.134 122 HB2 ARG 17 HB2 ARG 17 31.863 -15.402 -6.871 123 HB3 ARG 17 HB1 ARG 17 33.339 -15.153 -5.941 124 HG2 ARG 17 HG2 ARG 17 32.301 -15.692 -3.906 125 HG3 ARG 17 HG1 ARG 17 30.683 -15.393 -4.545 126 HD2 ARG 17 HD2 ARG 17 30.570 -17.434 -5.608 127 HD3 ARG 17 HD1 ARG 17 32.313 -17.515 -5.862 128 HE ARG 17 HE ARG 17 32.551 -18.433 -3.711 129 HH11 ARG 17 HH21 ARG 17 29.313 -17.387 -4.338 130 HH12 ARG 17 HH22 ARG 17 28.626 -18.282 -3.025 131 HH21 ARG 17 HH11 ARG 17 31.654 -19.603 -1.989 132 HH22 ARG 17 HH12 ARG 17 29.949 -19.535 -1.701 133 H ARG 18 HN ARG 18 29.500 -14.150 -5.518 134 HA ARG 18 HA ARG 18 28.557 -13.564 -8.164 135 HB2 ARG 18 HB2 ARG 18 27.064 -14.024 -5.564 136 HB3 ARG 18 HB1 ARG 18 26.300 -13.918 -7.148 137 HG2 ARG 18 HG2 ARG 18 26.653 -16.140 -7.366 138 HG3 ARG 18 HG1 ARG 18 28.374 -15.781 -7.490 139 HD2 ARG 18 HD2 ARG 18 28.190 -17.366 -5.727 140 HD3 ARG 18 HD1 ARG 18 28.420 -15.811 -4.935 141 HE ARG 18 HE ARG 18 25.654 -16.657 -5.324 142 HH11 ARG 18 HH21 ARG 18 28.430 -16.448 -3.257 143 HH12 ARG 18 HH22 ARG 18 27.523 -16.648 -1.796 144 HH21 ARG 18 HH11 ARG 18 24.470 -16.922 -3.406 145 HH22 ARG 18 HH12 ARG 18 25.287 -16.916 -1.880 146 H ALA 19 HN ALA 19 29.769 -11.531 -6.066 147 HA ALA 19 HA ALA 19 29.650 -9.235 -5.885 148 HB1 ALA 19 HB1 ALA 19 28.494 -9.600 -8.280 149 HB2 ALA 19 HB2 ALA 19 28.521 -8.031 -7.477 150 HB3 ALA 19 HB3 ALA 19 27.083 -9.048 -7.378 151 H GLN 20 HN GLN 20 26.380 -10.620 -6.006 152 HA GLN 20 HA GLN 20 25.704 -10.755 -3.387 153 HB2 GLN 20 HB2 GLN 20 24.381 -8.542 -3.139 154 HB3 GLN 20 HB1 GLN 20 26.116 -8.514 -2.816 155 HG2 GLN 20 HG2 GLN 20 26.545 -7.217 -4.636 156 HG3 GLN 20 HG1 GLN 20 25.383 -8.082 -5.639 157 HE21 GLN 20 HE21 GLN 20 25.851 -5.261 -3.639 158 HE22 GLN 20 HE22 GLN 20 24.285 -4.633 -3.819 159 H ASP 21 HN ASP 21 24.924 -9.905 -6.603 160 HA ASP 21 HA ASP 21 22.155 -9.924 -6.680 161 HB2 ASP 21 HB2 ASP 21 24.360 -10.347 -8.528 162 HB3 ASP 21 HB1 ASP 21 22.957 -11.337 -8.943 163 H PHE 22 HN PHE 22 24.228 -12.359 -5.636 164 HA PHE 22 HA PHE 22 23.191 -14.744 -6.473 165 HB2 PHE 22 HB2 PHE 22 24.274 -15.674 -4.702 166 HB3 PHE 22 HB1 PHE 22 24.956 -14.057 -4.552 167 HD1 PHE 22 HD1 PHE 22 22.378 -16.380 -3.270 168 HD2 PHE 22 HD2 PHE 22 24.309 -12.578 -2.765 169 HE1 PHE 22 HE1 PHE 22 21.325 -16.145 -1.041 170 HE2 PHE 22 HE2 PHE 22 23.261 -12.340 -0.533 171 HZ PHE 22 HZ PHE 22 21.766 -14.125 0.333 172 H VAL 23 HN VAL 23 21.848 -12.507 -4.090 173 HA VAL 23 HA VAL 23 19.805 -13.991 -2.987 174 HB VAL 23 HB VAL 23 19.569 -11.108 -3.882 175 HG11 VAL 23 HG11 VAL 23 18.211 -12.748 -1.724 176 HG12 VAL 23 HG12 VAL 23 17.449 -12.037 -3.147 177 HG13 VAL 23 HG13 VAL 23 18.074 -10.995 -1.867 178 HG21 VAL 23 HG21 VAL 23 21.645 -11.566 -2.566 179 HG22 VAL 23 HG22 VAL 23 20.646 -12.250 -1.284 180 HG23 VAL 23 HG23 VAL 23 20.504 -10.540 -1.694 181 H GLN 24 HN GLN 24 20.020 -12.575 -6.186 182 HA GLN 24 HA GLN 24 17.271 -13.112 -6.875 183 HB2 GLN 24 HB2 GLN 24 19.645 -12.439 -8.637 184 HB3 GLN 24 HB1 GLN 24 17.948 -12.436 -9.139 185 HG2 GLN 24 HG2 GLN 24 17.628 -10.805 -7.114 186 HG3 GLN 24 HG1 GLN 24 19.367 -10.564 -7.262 187 HE21 GLN 24 HE21 GLN 24 19.300 -8.422 -8.144 188 HE22 GLN 24 HE22 GLN 24 18.621 -8.079 -9.661 189 H TRP 25 HN TRP 25 20.299 -14.806 -6.980 190 HA TRP 25 HA TRP 25 20.114 -16.643 -8.962 191 HB2 TRP 25 HB2 TRP 25 21.827 -16.541 -7.070 192 HB3 TRP 25 HB1 TRP 25 20.702 -17.523 -6.133 193 HD1 TRP 25 HD1 TRP 25 22.904 -17.622 -9.259 194 HE1 TRP 25 HE1 TRP 25 23.244 -20.081 -9.957 195 HE3 TRP 25 HE3 TRP 25 19.712 -19.911 -6.003 196 HZ2 TRP 25 HZ2 TRP 25 22.287 -22.678 -9.228 197 HZ3 TRP 25 HZ3 TRP 25 19.443 -22.374 -6.023 198 HH2 TRP 25 HH2 TRP 25 20.725 -23.760 -7.630 199 H LEU 26 HN LEU 26 18.563 -17.103 -5.770 200 HA LEU 26 HA LEU 26 16.772 -19.088 -7.006 201 HB2 LEU 26 HB2 LEU 26 16.180 -19.345 -4.413 202 HB3 LEU 26 HB1 LEU 26 17.562 -20.155 -5.135 203 HG LEU 26 HG LEU 26 19.037 -18.316 -4.414 204 HD11 LEU 26 HD11 LEU 26 17.479 -16.453 -4.476 205 HD12 LEU 26 HD12 LEU 26 18.084 -16.612 -2.829 206 HD13 LEU 26 HD13 LEU 26 16.474 -17.201 -3.238 207 HD21 LEU 26 HD21 LEU 26 18.886 -18.729 -1.977 208 HD22 LEU 26 HD22 LEU 26 18.682 -20.219 -2.897 209 HD23 LEU 26 HD23 LEU 26 17.276 -19.412 -2.200 210 H MET 27 HN MET 27 16.033 -16.773 -7.923 211 HA MET 27 HA MET 27 13.482 -16.281 -6.635 212 HB2 MET 27 HB2 MET 27 15.431 -14.713 -5.691 213 HB3 MET 27 HB1 MET 27 15.038 -13.798 -7.146 214 HG2 MET 27 HG2 MET 27 12.558 -14.133 -6.357 215 HG3 MET 27 HG1 MET 27 13.295 -14.430 -4.782 216 HE1 MET 27 HE1 MET 27 11.233 -12.107 -5.530 217 HE2 MET 27 HE2 MET 27 11.903 -12.007 -7.156 218 HE3 MET 27 HE3 MET 27 11.931 -10.589 -6.112 219 H ASN 28 HN ASN 28 15.755 -14.970 -9.055 220 HA ASN 28 HA ASN 28 13.531 -14.415 -10.868 221 HB2 ASN 28 HB2 ASN 28 15.504 -12.840 -10.504 222 HB3 ASN 28 HB1 ASN 28 16.470 -14.002 -11.414 223 HD21 ASN 28 HD21 ASN 28 13.559 -11.923 -11.685 224 HD22 ASN 28 HD22 ASN 28 13.621 -11.800 -13.377 225 H THR 29 HN THR 29 15.005 -17.137 -10.074 226 HA THR 29 HA THR 29 15.560 -18.112 -12.782 227 HB THR 29 HB THR 29 17.019 -18.625 -10.721 228 HG1 THR 29 HG1 THR 29 16.435 -21.077 -11.663 229 HG21 THR 29 HG21 THR 29 14.800 -19.270 -9.457 230 HG22 THR 29 HG22 THR 29 16.282 -20.177 -9.152 231 HG23 THR 29 HG23 THR 29 15.051 -20.835 -10.230 232 H GGL 101 HN2 LYX 13 30.583 -21.395 -4.550 233 HA GGL 101 HA2 LYX 13 31.117 -23.890 -5.853 234 HB2 GGL 101 HI2 LYX 13 33.012 -23.721 -3.906 235 HB3 GGL 101 HI1 LYX 13 33.127 -22.903 -5.462 236 HG2 GGL 101 HH2 LYX 13 33.438 -21.516 -3.257 237 HG3 GGL 101 HH1 LYX 13 31.691 -21.596 -3.172 238 H GGL 102 HN3 LYX 13 28.093 -23.609 -2.934 239 HA GGL 102 HA3 LYX 13 29.179 -21.569 -2.957 240 HB2 GGL 102 HJ2 LYX 13 26.528 -20.904 -4.238 241 HB3 GGL 102 HJ1 LYX 13 27.669 -19.632 -3.855 242 HG2 GGL 102 HK2 LYX 13 27.656 -20.913 -6.223 243 HG3 GGL 102 HK1 LYX 13 29.089 -20.195 -5.513 244 H21 PLM 103 H22 LYX 13 25.387 -24.647 -1.640 245 H22 PLM 103 H21 LYX 13 26.545 -23.674 -0.737 246 H31 PLM 103 H32 LYX 13 24.965 -22.137 -0.101 247 H32 PLM 103 H31 LYX 13 24.081 -22.267 -1.619 248 H41 PLM 103 H41 LYX 13 24.058 -24.619 0.249 249 H42 PLM 103 H42 LYX 13 23.054 -23.226 0.638 250 H51 PLM 103 H51 LYX 13 22.064 -25.134 -0.865 251 H52 PLM 103 H52 LYX 13 23.007 -24.374 -2.145 252 H61 PLM 103 H62 LYX 13 21.815 -22.185 -1.028 253 H62 PLM 103 H61 LYX 13 21.148 -23.074 -2.396 254 H71 PLM 103 H72 LYX 13 20.508 -23.665 0.511 255 H72 PLM 103 H71 LYX 13 19.790 -24.441 -0.898 256 H81 PLM 103 H82 LYX 13 18.939 -22.207 -1.642 257 H82 PLM 103 H81 LYX 13 18.255 -22.734 -0.107 258 H91 PLM 103 H91 LYX 13 20.019 -20.443 -0.693 259 H92 PLM 103 H92 LYX 13 20.496 -21.370 0.727 260 HA1 PLM 103 H102 LYX 13 18.200 -21.170 1.623 261 HA2 PLM 103 H101 LYX 13 17.733 -20.227 0.208 262 HB1 PLM 103 H111 LYX 13 20.041 -19.404 1.976 263 HB2 PLM 103 H112 LYX 13 19.160 -18.421 0.808 264 HC1 PLM 103 H122 LYX 13 17.891 -19.597 3.301 265 HC2 PLM 103 H121 LYX 13 17.181 -18.420 2.196 266 HD1 PLM 103 H132 LYX 13 19.671 -17.344 3.020 267 HD2 PLM 103 H131 LYX 13 18.061 -16.776 3.460 268 HE1 PLM 103 H142 LYX 13 19.512 -19.018 4.893 269 HE2 PLM 103 H141 LYX 13 17.997 -18.261 5.377 270 HF1 PLM 103 H151 LYX 13 19.468 -16.051 5.307 271 HF2 PLM 103 H152 LYX 13 19.479 -17.095 6.726 272 HG1 PLM 103 H162 LYX 13 21.501 -18.250 5.825 273 HG2 PLM 103 H163 LYX 13 21.500 -17.127 4.463 274 HG3 PLM 103 H161 LYX 13 21.778 -16.530 6.097 Start of MODEL 2 1 H1 HIS 1 HT1 HIS 1 19.183 -27.992 5.946 2 H2 HIS 1 HT2 HIS 1 19.288 -29.466 5.106 3 H3 HIS 1 HT3 HIS 1 18.051 -28.361 4.738 4 HA HIS 1 HA HIS 1 20.266 -28.550 3.308 5 HB2 HIS 1 HB2 HIS 1 19.741 -26.365 2.434 6 HB3 HIS 1 HB1 HIS 1 18.221 -27.152 2.874 7 HD2 HIS 1 HD2 HIS 1 19.978 -23.881 3.509 8 HE1 HIS 1 HE1 HIS 1 17.295 -24.312 6.737 9 HE2 HIS 1 HE2 HIS 1 18.834 -22.687 5.529 10 H AIB 2 HN AIB 2 20.917 -25.580 3.554 11 HB11 AIB 2 HB11 AIB 2 24.617 -25.496 4.247 12 HB12 AIB 2 HB12 AIB 2 23.662 -26.977 4.104 13 HB13 AIB 2 HB13 AIB 2 24.171 -26.405 5.696 14 HB21 AIB 2 HB21 AIB 2 21.401 -25.451 6.580 15 HB22 AIB 2 HB22 AIB 2 22.162 -23.870 6.361 16 HB23 AIB 2 HB23 AIB 2 23.129 -25.255 6.880 17 H GLN 3 HN GLN 3 21.788 -24.633 2.539 18 HA GLN 3 HA GLN 3 22.063 -23.069 1.033 19 HB2 GLN 3 HB2 GLN 3 22.025 -20.667 1.944 20 HB3 GLN 3 HB1 GLN 3 20.615 -21.700 2.110 21 HG2 GLN 3 HG2 GLN 3 21.229 -22.188 4.399 22 HG3 GLN 3 HG1 GLN 3 22.679 -21.236 4.231 23 HE21 GLN 3 HE21 GLN 3 19.750 -20.137 2.662 24 HE22 GLN 3 HE22 GLN 3 19.425 -18.864 3.737 25 H GLY 4 HN GLY 4 23.973 -22.367 3.637 26 HA2 GLY 4 HA2 GLY 4 26.236 -21.978 3.933 27 HA3 GLY 4 HA1 GLY 4 26.479 -22.525 2.278 28 H THR 5 HN THR 5 24.135 -20.242 2.340 29 HA THR 5 HA THR 5 25.342 -18.300 0.832 30 HB THR 5 HB THR 5 22.989 -18.306 1.182 31 HG1 THR 5 HG1 THR 5 23.232 -16.248 0.871 32 HG21 THR 5 HG21 THR 5 23.550 -17.632 4.050 33 HG22 THR 5 HG22 THR 5 23.137 -19.249 3.471 34 HG23 THR 5 HG23 THR 5 21.972 -17.939 3.329 35 H PHE 6 HN PHE 6 25.778 -19.083 4.003 36 HA PHE 6 HA PHE 6 27.239 -16.599 4.525 37 HB2 PHE 6 HB2 PHE 6 26.706 -16.860 6.844 38 HB3 PHE 6 HB1 PHE 6 25.236 -16.961 5.868 39 HD1 PHE 6 HD2 PHE 6 24.467 -19.318 5.211 40 HD2 PHE 6 HD1 PHE 6 27.177 -18.575 8.422 41 HE1 PHE 6 HE2 PHE 6 23.851 -21.460 6.163 42 HE2 PHE 6 HE1 PHE 6 26.568 -20.760 9.418 43 HZ PHE 6 HZ PHE 6 24.902 -22.220 8.293 44 H THR 7 HN THR 7 27.287 -19.785 5.924 45 HA THR 7 HA THR 7 29.997 -19.729 6.620 46 HB THR 7 HB THR 7 28.550 -21.215 7.761 47 HG1 THR 7 HG1 THR 7 29.691 -23.241 7.287 48 HG21 THR 7 HG21 THR 7 28.161 -22.442 5.059 49 HG22 THR 7 HG22 THR 7 26.976 -21.544 6.005 50 HG23 THR 7 HG23 THR 7 27.538 -23.116 6.565 51 H SER 8 HN SER 8 28.950 -19.606 3.615 52 HA SER 8 HA SER 8 30.414 -21.618 2.281 53 HB2 SER 8 HB2 SER 8 30.297 -19.835 0.363 54 HB3 SER 8 HB1 SER 8 28.841 -20.677 0.886 55 HG SER 8 HG SER 8 28.630 -18.847 2.414 56 H ASP 9 HN ASP 9 31.100 -18.426 1.522 57 HA ASP 9 HA ASP 9 33.562 -18.316 0.721 58 HB2 ASP 9 HB2 ASP 9 32.325 -16.328 1.011 59 HB3 ASP 9 HB1 ASP 9 32.260 -16.541 2.759 60 H TYR 10 HN TYR 10 33.058 -18.075 4.278 61 HA TYR 10 HA TYR 10 35.788 -18.176 4.925 62 HB2 TYR 10 HB2 TYR 10 34.106 -19.405 6.963 63 HB3 TYR 10 HB1 TYR 10 35.071 -17.935 7.043 64 HD1 TYR 10 HD1 TYR 10 33.965 -16.145 5.097 65 HD2 TYR 10 HD2 TYR 10 31.915 -18.954 7.617 66 HE1 TYR 10 HE1 TYR 10 31.898 -14.784 4.934 67 HE2 TYR 10 HE2 TYR 10 29.837 -17.603 7.444 68 HH TYR 10 HH TYR 10 29.396 -14.990 6.960 69 H SER 11 HN SER 11 33.450 -20.666 4.306 70 HA SER 11 HA SER 11 35.277 -22.777 5.144 71 HB2 SER 11 HB2 SER 11 32.817 -22.822 5.616 72 HB3 SER 11 HB1 SER 11 32.548 -22.997 3.884 73 HG SER 11 HG SER 11 33.103 -25.019 4.043 74 H LYS 12 HN LYS 12 34.244 -21.163 2.215 75 HA LYS 12 HA LYS 12 36.106 -22.837 0.730 76 HB2 LYS 12 HB2 LYS 12 34.516 -23.473 -0.970 77 HB3 LYS 12 HB1 LYS 12 33.945 -24.012 0.604 78 HG2 LYS 12 HG2 LYS 12 32.911 -21.419 0.282 79 HG3 LYS 12 HG1 LYS 12 32.678 -22.215 -1.266 80 HD2 LYS 12 HD2 LYS 12 31.806 -23.287 1.431 81 HD3 LYS 12 HD1 LYS 12 30.745 -22.615 0.194 82 HE2 LYS 12 HE2 LYS 12 32.015 -25.285 0.344 83 HE3 LYS 12 HE1 LYS 12 30.509 -24.794 -0.425 84 HZ1 LYS 12 HZ1 LYS 12 31.880 -25.332 -2.188 85 HZ2 LYS 12 HZ2 LYS 12 33.257 -24.634 -1.482 86 HZ3 LYS 12 HZ3 LYS 12 32.025 -23.646 -2.108 87 H LYS 13 HN LYX 13 37.054 -20.580 0.939 88 HA LYS 13 HA LYX 13 37.847 -18.721 -0.144 89 HB2 LYS 13 HB2 LYX 13 36.225 -19.695 -2.492 90 HB3 LYS 13 HB1 LYX 13 37.569 -18.564 -2.539 91 HG2 LYS 13 HG2 LYX 13 39.011 -20.286 -2.713 92 HG3 LYS 13 HG1 LYX 13 38.424 -20.940 -1.185 93 HD2 LYS 13 HD2 LYX 13 38.128 -22.609 -2.938 94 HD3 LYS 13 HD1 LYX 13 36.555 -22.036 -2.401 95 HE2 LYS 13 HE2 LYX 13 37.804 -20.586 -4.688 96 HE3 LYS 13 HE1 LYX 13 37.217 -22.212 -5.007 97 HZ1 LYS 13 HZ1 LYX 13 35.567 -19.917 -4.172 98 H LEU 14 HN LEU 14 35.511 -18.188 -2.440 99 HA LEU 14 HA LEU 14 34.279 -16.086 -0.823 100 HB2 LEU 14 HB2 LEU 14 35.603 -15.536 -2.956 101 HB3 LEU 14 HB1 LEU 14 34.277 -16.287 -3.836 102 HG LEU 14 HG LEU 14 32.694 -14.671 -2.808 103 HD11 LEU 14 HD11 LEU 14 33.481 -13.874 -0.801 104 HD12 LEU 14 HD12 LEU 14 34.120 -12.597 -1.833 105 HD13 LEU 14 HD13 LEU 14 35.165 -13.922 -1.324 106 HD21 LEU 14 HD21 LEU 14 34.547 -12.705 -3.815 107 HD22 LEU 14 HD22 LEU 14 33.107 -13.365 -4.589 108 HD23 LEU 14 HD23 LEU 14 34.661 -14.177 -4.778 109 H ASP 15 HN ASP 15 31.949 -15.602 -1.449 110 HA ASP 15 HA ASP 15 30.518 -18.159 -1.878 111 HB2 ASP 15 HB2 ASP 15 30.213 -17.098 0.349 112 HB3 ASP 15 HB1 ASP 15 29.553 -15.673 -0.449 113 H AIB 16 HN AIB 16 30.039 -14.641 -2.322 114 HB11 AIB 16 HB11 AIB 16 27.321 -15.774 -3.636 115 HB12 AIB 16 HB12 AIB 16 27.900 -15.970 -5.291 116 HB13 AIB 16 HB13 AIB 16 26.941 -14.554 -4.854 117 HB21 AIB 16 HB21 AIB 16 28.599 -13.020 -2.639 118 HB22 AIB 16 HB22 AIB 16 27.600 -12.850 -4.083 119 HB23 AIB 16 HB23 AIB 16 29.299 -12.378 -4.126 120 H ARG 17 HN ARG 17 31.049 -15.888 -4.713 121 HA ARG 17 HA ARG 17 32.365 -14.332 -6.594 122 HB2 ARG 17 HB2 ARG 17 32.923 -16.824 -7.519 123 HB3 ARG 17 HB1 ARG 17 33.697 -16.112 -6.104 124 HG2 ARG 17 HG2 ARG 17 32.283 -17.254 -4.606 125 HG3 ARG 17 HG1 ARG 17 31.104 -17.614 -5.863 126 HD2 ARG 17 HD2 ARG 17 32.287 -19.404 -6.652 127 HD3 ARG 17 HD1 ARG 17 33.845 -18.656 -6.306 128 HE ARG 17 HE ARG 17 33.830 -19.839 -4.329 129 HH11 ARG 17 HH21 ARG 17 30.587 -19.249 -5.383 130 HH12 ARG 17 HH22 ARG 17 29.858 -20.045 -4.031 131 HH21 ARG 17 HH11 ARG 17 32.880 -20.873 -2.556 132 HH22 ARG 17 HH12 ARG 17 31.156 -20.961 -2.431 133 H ARG 18 HN ARG 18 30.008 -16.943 -7.219 134 HA ARG 18 HA ARG 18 29.876 -16.493 -10.030 135 HB2 ARG 18 HB2 ARG 18 27.700 -17.695 -8.305 136 HB3 ARG 18 HB1 ARG 18 28.000 -17.993 -10.014 137 HG2 ARG 18 HG2 ARG 18 29.215 -19.781 -9.355 138 HG3 ARG 18 HG1 ARG 18 30.431 -18.625 -8.816 139 HD2 ARG 18 HD2 ARG 18 30.014 -19.964 -6.912 140 HD3 ARG 18 HD1 ARG 18 29.088 -18.495 -6.625 141 HE ARG 18 HE ARG 18 27.645 -20.672 -7.922 142 HH11 ARG 18 HH21 ARG 18 28.484 -18.994 -5.007 143 HH12 ARG 18 HH22 ARG 18 27.139 -19.609 -4.108 144 HH21 ARG 18 HH11 ARG 18 25.887 -21.485 -6.738 145 HH22 ARG 18 HH12 ARG 18 25.672 -21.017 -5.085 146 H ALA 19 HN ALA 19 29.152 -14.439 -7.657 147 HA ALA 19 HA ALA 19 28.058 -12.399 -7.730 148 HB1 ALA 19 HB1 ALA 19 26.383 -13.155 -10.073 149 HB2 ALA 19 HB2 ALA 19 28.112 -12.952 -10.350 150 HB3 ALA 19 HB3 ALA 19 27.161 -11.618 -9.695 151 H GLN 20 HN GLN 20 25.995 -15.047 -8.891 152 HA GLN 20 HA GLN 20 24.539 -15.717 -6.730 153 HB2 GLN 20 HB2 GLN 20 23.747 -13.633 -6.075 154 HB3 GLN 20 HB1 GLN 20 23.664 -13.025 -7.731 155 HG2 GLN 20 HG2 GLN 20 21.857 -15.271 -6.855 156 HG3 GLN 20 HG1 GLN 20 21.451 -13.607 -6.454 157 HE21 GLN 20 HE21 GLN 20 19.560 -14.393 -8.032 158 HE22 GLN 20 HE22 GLN 20 19.801 -14.021 -9.671 159 H ASP 21 HN ASP 21 24.642 -14.821 -10.034 160 HA ASP 21 HA ASP 21 22.362 -15.964 -11.129 161 HB2 ASP 21 HB2 ASP 21 25.050 -15.228 -12.014 162 HB3 ASP 21 HB1 ASP 21 24.371 -16.581 -12.926 163 H PHE 22 HN PHE 22 24.776 -17.444 -9.317 164 HA PHE 22 HA PHE 22 25.295 -19.882 -10.398 165 HB2 PHE 22 HB2 PHE 22 25.876 -20.563 -8.295 166 HB3 PHE 22 HB1 PHE 22 25.702 -18.841 -7.957 167 HD1 PHE 22 HD2 PHE 22 24.015 -22.137 -7.758 168 HD2 PHE 22 HD1 PHE 22 23.910 -18.001 -6.609 169 HE1 PHE 22 HE2 PHE 22 22.203 -22.634 -6.147 170 HE2 PHE 22 HE1 PHE 22 22.100 -18.493 -4.993 171 HZ PHE 22 HZ PHE 22 21.242 -20.813 -4.759 172 H VAL 23 HN VAL 23 22.244 -18.664 -9.262 173 HA VAL 23 HA VAL 23 20.787 -21.007 -8.868 174 HB VAL 23 HB VAL 23 19.611 -18.598 -10.241 175 HG11 VAL 23 HG11 VAL 23 17.693 -19.172 -8.789 176 HG12 VAL 23 HG12 VAL 23 18.618 -20.505 -8.102 177 HG13 VAL 23 HG13 VAL 23 18.157 -20.539 -9.802 178 HG21 VAL 23 HG21 VAL 23 20.559 -17.348 -8.592 179 HG22 VAL 23 HG22 VAL 23 20.963 -18.764 -7.622 180 HG23 VAL 23 HG23 VAL 23 19.335 -18.087 -7.560 181 H GLN 24 HN GLN 24 21.543 -19.268 -11.852 182 HA GLN 24 HA GLN 24 19.967 -20.958 -13.541 183 HB2 GLN 24 HB2 GLN 24 22.304 -19.166 -14.258 184 HB3 GLN 24 HB1 GLN 24 21.111 -19.834 -15.383 185 HG2 GLN 24 HG2 GLN 24 19.365 -18.677 -13.821 186 HG3 GLN 24 HG1 GLN 24 20.741 -17.722 -13.273 187 HE21 GLN 24 HE21 GLN 24 21.132 -15.869 -14.487 188 HE22 GLN 24 HE22 GLN 24 20.633 -15.635 -16.092 189 H TRP 25 HN TRP 25 23.163 -21.091 -12.195 190 HA TRP 25 HA TRP 25 24.667 -22.624 -13.844 191 HB2 TRP 25 HB2 TRP 25 25.173 -21.949 -11.434 192 HB3 TRP 25 HB1 TRP 25 24.323 -23.416 -10.951 193 HD1 TRP 25 HD1 TRP 25 27.255 -22.348 -13.230 194 HE1 TRP 25 HE1 TRP 25 28.972 -24.271 -13.287 195 HE3 TRP 25 HE3 TRP 25 24.780 -25.826 -10.430 196 HZ2 TRP 25 HZ2 TRP 25 29.257 -26.932 -12.279 197 HZ3 TRP 25 HZ3 TRP 25 25.793 -28.044 -9.995 198 HH2 TRP 25 HH2 TRP 25 28.028 -28.602 -10.914 199 H LEU 26 HN LEU 26 22.762 -24.299 -11.345 200 HA LEU 26 HA LEU 26 22.667 -26.683 -12.990 201 HB2 LEU 26 HB2 LEU 26 21.217 -27.463 -10.940 202 HB3 LEU 26 HB1 LEU 26 22.957 -27.263 -10.764 203 HG LEU 26 HG LEU 26 22.663 -25.068 -9.766 204 HD11 LEU 26 HD11 LEU 26 20.258 -24.328 -9.281 205 HD12 LEU 26 HD12 LEU 26 19.761 -25.514 -10.486 206 HD13 LEU 26 HD13 LEU 26 20.800 -24.167 -10.950 207 HD21 LEU 26 HD21 LEU 26 20.572 -26.804 -8.460 208 HD22 LEU 26 HD22 LEU 26 21.753 -25.741 -7.696 209 HD23 LEU 26 HD23 LEU 26 22.277 -27.256 -8.431 210 H MET 27 HN MET 27 21.296 -24.355 -14.023 211 HA MET 27 HA MET 27 18.622 -25.550 -14.310 212 HB2 MET 27 HB2 MET 27 19.183 -23.092 -12.948 213 HB3 MET 27 HB1 MET 27 18.294 -22.736 -14.429 214 HG2 MET 27 HG2 MET 27 16.609 -24.453 -13.802 215 HG3 MET 27 HG1 MET 27 17.480 -24.731 -12.293 216 HE1 MET 27 HE1 MET 27 16.625 -23.699 -10.177 217 HE2 MET 27 HE2 MET 27 15.306 -24.401 -11.112 218 HE3 MET 27 HE3 MET 27 15.074 -22.858 -10.294 219 H ASN 28 HN ASN 28 20.152 -22.538 -15.439 220 HA ASN 28 HA ASN 28 19.376 -23.187 -18.176 221 HB2 ASN 28 HB2 ASN 28 19.336 -20.847 -16.877 222 HB3 ASN 28 HB1 ASN 28 20.963 -20.751 -17.550 223 HD21 ASN 28 HD21 ASN 28 20.920 -19.635 -19.499 224 HD22 ASN 28 HD22 ASN 28 19.694 -19.760 -20.666 225 H THR 29 HN THR 29 21.748 -24.321 -16.428 226 HA THR 29 HA THR 29 23.505 -24.725 -18.672 227 HB THR 29 HB THR 29 25.192 -23.716 -16.556 228 HG1 THR 29 HG1 THR 29 24.474 -21.691 -16.414 229 HG21 THR 29 HG21 THR 29 25.833 -24.061 -18.921 230 HG22 THR 29 HG22 THR 29 26.101 -22.392 -18.415 231 HG23 THR 29 HG23 THR 29 24.699 -22.799 -19.403 232 H GGL 101 HN2 LYX 13 33.192 -22.962 -5.910 233 HA GGL 101 HA2 LYX 13 34.278 -25.480 -5.546 234 HB2 GGL 101 HI2 LYX 13 34.802 -24.417 -3.135 235 HB3 GGL 101 HI1 LYX 13 35.624 -23.888 -4.600 236 HG2 GGL 101 HH2 LYX 13 34.340 -22.198 -2.909 237 HG3 GGL 101 HH1 LYX 13 33.044 -22.535 -4.032 238 H GGL 102 HN3 LYX 13 29.294 -25.217 -4.425 239 HA GGL 102 HA3 LYX 13 31.033 -23.657 -3.620 240 HB2 GGL 102 HJ2 LYX 13 29.574 -22.287 -5.880 241 HB3 GGL 102 HJ1 LYX 13 31.297 -22.272 -5.549 242 HG2 GGL 102 HK2 LYX 13 30.090 -23.875 -7.392 243 HG3 GGL 102 HK1 LYX 13 30.120 -24.961 -6.012 244 H21 PLM 103 H22 LYX 13 28.639 -25.375 -1.730 245 H22 PLM 103 H21 LYX 13 28.252 -23.713 -1.290 246 H31 PLM 103 H32 LYX 13 25.809 -24.397 -1.988 247 H32 PLM 103 H31 LYX 13 26.398 -26.038 -1.729 248 H41 PLM 103 H41 LYX 13 26.528 -23.785 0.300 249 H42 PLM 103 H42 LYX 13 25.372 -25.116 0.330 250 H51 PLM 103 H51 LYX 13 28.388 -25.306 0.601 251 H52 PLM 103 H52 LYX 13 27.331 -26.705 0.411 252 H61 PLM 103 H62 LYX 13 27.299 -24.686 2.672 253 H62 PLM 103 H61 LYX 13 26.059 -25.919 2.443 254 H71 PLM 103 H72 LYX 13 28.953 -26.727 2.509 255 H72 PLM 103 H71 LYX 13 27.524 -27.672 2.931 256 H81 PLM 103 H82 LYX 13 28.792 -25.429 4.522 257 H82 PLM 103 H81 LYX 13 27.187 -26.065 4.880 258 H91 PLM 103 H91 LYX 13 29.464 -27.994 4.585 259 H92 PLM 103 H92 LYX 13 28.008 -28.128 5.570 260 HA1 PLM 103 H102 LYX 13 30.312 -26.225 6.108 261 HA2 PLM 103 H101 LYX 13 30.025 -27.738 6.962 262 HB1 PLM 103 H111 LYX 13 28.163 -25.347 6.889 263 HB2 PLM 103 H112 LYX 13 27.796 -26.881 7.675 264 HC1 PLM 103 H122 LYX 13 30.152 -25.090 8.350 265 HC2 PLM 103 H121 LYX 13 29.742 -26.605 9.155 266 HD1 PLM 103 H132 LYX 13 27.443 -24.832 9.062 267 HD2 PLM 103 H131 LYX 13 28.218 -25.575 10.462 268 HE1 PLM 103 H142 LYX 13 29.195 -23.072 9.054 269 HE2 PLM 103 H141 LYX 13 29.915 -23.799 10.488 270 HF1 PLM 103 H151 LYX 13 27.040 -22.850 10.360 271 HF2 PLM 103 H152 LYX 13 27.933 -23.356 11.794 272 HG1 PLM 103 H162 LYX 13 28.794 -21.011 10.078 273 HG2 PLM 103 H163 LYX 13 27.720 -20.834 11.464 274 HG3 PLM 103 H161 LYX 13 29.363 -21.436 11.691 Start of MODEL 3 1 H1 HIS 1 HT1 HIS 1 24.477 -29.996 7.722 2 H2 HIS 1 HT2 HIS 1 25.893 -30.865 7.364 3 H3 HIS 1 HT3 HIS 1 24.408 -31.343 6.693 4 HA HIS 1 HA HIS 1 25.931 -30.103 5.141 5 HB2 HIS 1 HB2 HIS 1 24.149 -28.903 4.116 6 HB3 HIS 1 HB1 HIS 1 23.399 -30.303 4.899 7 HD2 HIS 1 HD2 HIS 1 22.709 -26.659 4.682 8 HE1 HIS 1 HE1 HIS 1 21.429 -27.680 8.571 9 HE2 HIS 1 HE2 HIS 1 21.360 -25.882 6.775 10 H AIB 2 HN AIB 2 26.274 -27.956 4.372 11 HB11 AIB 2 HB11 AIB 2 28.708 -25.294 5.714 12 HB12 AIB 2 HB12 AIB 2 28.840 -26.966 5.149 13 HB13 AIB 2 HB13 AIB 2 28.464 -26.631 6.842 14 HB21 AIB 2 HB21 AIB 2 25.066 -25.875 6.608 15 HB22 AIB 2 HB22 AIB 2 26.143 -24.488 6.434 16 HB23 AIB 2 HB23 AIB 2 26.551 -25.785 7.560 17 H GLN 3 HN GLN 3 24.737 -25.885 4.377 18 HA GLN 3 HA GLN 3 24.816 -25.336 1.885 19 HB2 GLN 3 HB2 GLN 3 23.633 -23.031 2.490 20 HB3 GLN 3 HB1 GLN 3 22.855 -24.582 2.781 21 HG2 GLN 3 HG2 GLN 3 23.710 -24.591 5.072 22 HG3 GLN 3 HG1 GLN 3 24.529 -23.077 4.777 23 HE21 GLN 3 HE21 GLN 3 21.323 -23.716 3.460 24 HE22 GLN 3 HE22 GLN 3 20.491 -22.642 4.478 25 H GLY 4 HN GLY 4 26.186 -23.337 4.201 26 HA2 GLY 4 HA2 GLY 4 27.929 -21.805 4.198 27 HA3 GLY 4 HA1 GLY 4 28.299 -22.335 2.558 28 H THR 5 HN THR 5 25.114 -21.561 2.651 29 HA THR 5 HA THR 5 25.108 -19.461 0.933 30 HB THR 5 HB THR 5 22.975 -20.091 1.312 31 HG1 THR 5 HG1 THR 5 22.634 -18.016 1.515 32 HG21 THR 5 HG21 THR 5 23.882 -21.100 3.756 33 HG22 THR 5 HG22 THR 5 22.265 -21.229 3.083 34 HG23 THR 5 HG23 THR 5 22.650 -19.909 4.174 35 H PHE 6 HN PHE 6 25.844 -19.566 4.158 36 HA PHE 6 HA PHE 6 26.264 -16.670 4.245 37 HB2 PHE 6 HB2 PHE 6 25.934 -16.819 6.618 38 HB3 PHE 6 HB1 PHE 6 24.576 -17.554 5.748 39 HD1 PHE 6 HD2 PHE 6 24.412 -19.967 5.584 40 HD2 PHE 6 HD1 PHE 6 27.311 -18.134 8.118 41 HE1 PHE 6 HE2 PHE 6 24.637 -22.081 6.792 42 HE2 PHE 6 HE1 PHE 6 27.538 -20.261 9.383 43 HZ PHE 6 HZ PHE 6 26.200 -22.248 8.719 44 H THR 7 HN THR 7 27.506 -19.512 5.802 45 HA THR 7 HA THR 7 30.083 -18.301 6.184 46 HB THR 7 HB THR 7 29.297 -19.720 7.933 47 HG1 THR 7 HG1 THR 7 31.135 -20.849 8.189 48 HG21 THR 7 HG21 THR 7 27.939 -21.120 6.374 49 HG22 THR 7 HG22 THR 7 28.807 -22.021 7.609 50 HG23 THR 7 HG23 THR 7 29.422 -21.964 5.958 51 H SER 8 HN SER 8 28.894 -19.394 3.476 52 HA SER 8 HA SER 8 30.471 -21.327 2.379 53 HB2 SER 8 HB2 SER 8 30.507 -19.728 0.281 54 HB3 SER 8 HB1 SER 8 29.010 -20.500 0.800 55 HG SER 8 HG SER 8 29.031 -18.423 2.236 56 H ASP 9 HN ASP 9 31.278 -18.103 1.613 57 HA ASP 9 HA ASP 9 33.739 -18.080 0.772 58 HB2 ASP 9 HB2 ASP 9 32.806 -16.015 1.143 59 HB3 ASP 9 HB1 ASP 9 32.449 -16.372 2.834 60 H TYR 10 HN TYR 10 33.187 -18.285 4.336 61 HA TYR 10 HA TYR 10 35.982 -18.683 4.868 62 HB2 TYR 10 HB2 TYR 10 34.039 -19.662 6.868 63 HB3 TYR 10 HB1 TYR 10 35.413 -18.580 7.072 64 HD1 TYR 10 HD1 TYR 10 34.844 -16.406 5.183 65 HD2 TYR 10 HD2 TYR 10 32.178 -18.572 7.762 66 HE1 TYR 10 HE1 TYR 10 33.292 -14.469 5.220 67 HE2 TYR 10 HE2 TYR 10 30.623 -16.669 7.781 68 HH TYR 10 HH TYR 10 30.137 -14.673 6.823 69 H SER 11 HN SER 11 33.146 -20.696 4.576 70 HA SER 11 HA SER 11 34.750 -23.152 4.824 71 HB2 SER 11 HB2 SER 11 32.436 -22.514 6.015 72 HB3 SER 11 HB1 SER 11 31.791 -23.182 4.518 73 HG SER 11 HG SER 11 32.604 -24.520 6.595 74 H LYS 12 HN LYS 12 35.011 -21.549 2.460 75 HA LYS 12 HA LYS 12 34.377 -23.503 0.466 76 HB2 LYS 12 HB2 LYS 12 32.194 -22.281 0.808 77 HB3 LYS 12 HB1 LYS 12 33.008 -20.816 0.273 78 HG2 LYS 12 HG2 LYS 12 31.825 -21.798 -1.592 79 HG3 LYS 12 HG1 LYS 12 33.552 -21.904 -1.870 80 HD2 LYS 12 HD2 LYS 12 33.600 -24.204 -1.585 81 HD3 LYS 12 HD1 LYS 12 32.218 -24.195 -0.494 82 HE2 LYS 12 HE2 LYS 12 31.528 -25.215 -2.576 83 HE3 LYS 12 HE1 LYS 12 30.757 -23.634 -2.474 84 HZ1 LYS 12 HZ1 LYS 12 31.651 -23.770 -4.621 85 HZ2 LYS 12 HZ2 LYS 12 33.120 -24.421 -4.072 86 HZ3 LYS 12 HZ3 LYS 12 32.740 -22.794 -3.762 87 H LYS 13 HN LYX 13 34.555 -19.980 0.197 88 HA LYS 13 HA LYX 13 37.327 -19.858 -0.507 89 HB2 LYS 13 HB2 LYX 13 35.244 -20.092 -2.641 90 HB3 LYS 13 HB1 LYX 13 36.493 -18.879 -2.873 91 HG2 LYS 13 HG2 LYX 13 37.783 -20.507 -3.734 92 HG3 LYS 13 HG1 LYX 13 37.917 -21.196 -2.124 93 HD2 LYS 13 HD2 LYX 13 37.132 -22.986 -3.406 94 HD3 LYS 13 HD1 LYX 13 35.646 -22.351 -2.712 95 HE2 LYS 13 HE2 LYX 13 36.632 -22.236 -5.508 96 HE3 LYS 13 HE1 LYX 13 34.996 -22.398 -4.891 97 HZ1 LYS 13 HZ1 LYX 13 36.209 -19.806 -4.417 98 H LEU 14 HN LEU 14 34.798 -18.083 -2.127 99 HA LEU 14 HA LEU 14 34.984 -15.888 -0.235 100 HB2 LEU 14 HB2 LEU 14 36.785 -15.505 -1.906 101 HB3 LEU 14 HB1 LEU 14 35.565 -15.512 -3.179 102 HG LEU 14 HG LEU 14 34.931 -13.697 -0.946 103 HD11 LEU 14 HD11 LEU 14 37.263 -13.238 -0.848 104 HD12 LEU 14 HD12 LEU 14 36.592 -11.983 -1.890 105 HD13 LEU 14 HD13 LEU 14 37.437 -13.359 -2.599 106 HD21 LEU 14 HD21 LEU 14 34.205 -12.300 -2.721 107 HD22 LEU 14 HD22 LEU 14 33.839 -13.938 -3.259 108 HD23 LEU 14 HD23 LEU 14 35.257 -13.097 -3.885 109 H ASP 15 HN ASP 15 33.201 -14.427 -0.366 110 HA ASP 15 HA ASP 15 30.908 -15.538 -1.862 111 HB2 ASP 15 HB2 ASP 15 31.195 -14.143 0.760 112 HB3 ASP 15 HB1 ASP 15 29.690 -13.945 -0.136 113 H AIB 16 HN AIB 16 32.645 -12.545 -1.153 114 HB11 AIB 16 HB11 AIB 16 30.011 -10.999 -1.492 115 HB12 AIB 16 HB12 AIB 16 29.859 -10.818 -3.239 116 HB13 AIB 16 HB13 AIB 16 30.530 -9.505 -2.273 117 HB21 AIB 16 HB21 AIB 16 33.328 -10.594 -1.092 118 HB22 AIB 16 HB22 AIB 16 32.383 -9.249 -1.731 119 HB23 AIB 16 HB23 AIB 16 33.653 -9.978 -2.713 120 H ARG 17 HN ARG 17 32.236 -13.338 -3.857 121 HA ARG 17 HA ARG 17 33.239 -12.110 -6.271 122 HB2 ARG 17 HB2 ARG 17 33.320 -14.449 -7.124 123 HB3 ARG 17 HB1 ARG 17 34.177 -14.245 -5.599 124 HG2 ARG 17 HG2 ARG 17 32.133 -15.056 -4.403 125 HG3 ARG 17 HG1 ARG 17 31.395 -15.378 -5.969 126 HD2 ARG 17 HD2 ARG 17 33.723 -16.750 -4.661 127 HD3 ARG 17 HD1 ARG 17 32.313 -17.459 -5.446 128 HE ARG 17 HE ARG 17 34.773 -16.680 -6.723 129 HH11 ARG 17 HH21 ARG 17 31.355 -17.075 -7.090 130 HH12 ARG 17 HH22 ARG 17 31.427 -17.313 -8.804 131 HH21 ARG 17 HH11 ARG 17 34.876 -16.993 -8.970 132 HH22 ARG 17 HH12 ARG 17 33.421 -17.267 -9.869 133 H ARG 18 HN ARG 18 30.266 -13.685 -5.200 134 HA ARG 18 HA ARG 18 28.997 -13.622 -7.776 135 HB2 ARG 18 HB2 ARG 18 27.790 -13.884 -5.006 136 HB3 ARG 18 HB1 ARG 18 26.952 -14.203 -6.525 137 HG2 ARG 18 HG2 ARG 18 27.662 -16.339 -6.256 138 HG3 ARG 18 HG1 ARG 18 29.230 -15.734 -6.784 139 HD2 ARG 18 HD2 ARG 18 29.608 -16.903 -4.724 140 HD3 ARG 18 HD1 ARG 18 29.717 -15.183 -4.355 141 HE ARG 18 HE ARG 18 27.125 -15.694 -3.830 142 HH11 ARG 18 HH21 ARG 18 30.065 -17.323 -3.001 143 HH12 ARG 18 HH22 ARG 18 29.455 -17.952 -1.508 144 HH21 ARG 18 HH11 ARG 18 26.322 -16.517 -1.872 145 HH22 ARG 18 HH12 ARG 18 27.338 -17.497 -0.868 146 H ALA 19 HN ALA 19 30.086 -11.146 -6.152 147 HA ALA 19 HA ALA 19 29.624 -8.886 -6.309 148 HB1 ALA 19 HB1 ALA 19 26.884 -9.298 -7.385 149 HB2 ALA 19 HB2 ALA 19 28.228 -9.816 -8.405 150 HB3 ALA 19 HB3 ALA 19 28.122 -8.139 -7.867 151 H GLN 20 HN GLN 20 26.734 -10.808 -5.604 152 HA GLN 20 HA GLN 20 26.186 -10.835 -3.101 153 HB2 GLN 20 HB2 GLN 20 26.918 -8.639 -2.493 154 HB3 GLN 20 HB1 GLN 20 25.963 -7.890 -3.779 155 HG2 GLN 20 HG2 GLN 20 24.052 -7.944 -2.534 156 HG3 GLN 20 HG1 GLN 20 24.411 -9.540 -1.873 157 HE21 GLN 20 HE21 GLN 20 25.200 -6.068 -1.501 158 HE22 GLN 20 HE22 GLN 20 25.711 -6.203 0.111 159 H ASP 21 HN ASP 21 25.061 -12.141 -4.872 160 HA ASP 21 HA ASP 21 22.251 -11.387 -4.867 161 HB2 ASP 21 HB2 ASP 21 24.005 -11.175 -7.212 162 HB3 ASP 21 HB1 ASP 21 22.572 -12.166 -7.500 163 H PHE 22 HN PHE 22 24.645 -13.628 -6.197 164 HA PHE 22 HA PHE 22 24.323 -15.881 -6.779 165 HB2 PHE 22 HB2 PHE 22 24.552 -17.191 -4.676 166 HB3 PHE 22 HB1 PHE 22 25.691 -15.863 -4.820 167 HD1 PHE 22 HD2 PHE 22 24.841 -13.554 -3.760 168 HD2 PHE 22 HD1 PHE 22 23.398 -17.448 -2.670 169 HE1 PHE 22 HE2 PHE 22 23.982 -12.644 -1.629 170 HE2 PHE 22 HE1 PHE 22 22.550 -16.548 -0.550 171 HZ PHE 22 HZ PHE 22 22.848 -14.142 -0.007 172 H VAL 23 HN VAL 23 22.812 -17.168 -4.201 173 HA VAL 23 HA VAL 23 20.351 -17.544 -5.718 174 HB VAL 23 HB VAL 23 20.172 -19.620 -4.772 175 HG11 VAL 23 HG11 VAL 23 22.546 -19.143 -5.750 176 HG12 VAL 23 HG12 VAL 23 22.277 -20.637 -4.852 177 HG13 VAL 23 HG13 VAL 23 23.074 -19.271 -4.073 178 HG21 VAL 23 HG21 VAL 23 19.851 -19.318 -2.483 179 HG22 VAL 23 HG22 VAL 23 21.291 -18.317 -2.299 180 HG23 VAL 23 HG23 VAL 23 21.447 -20.058 -2.486 181 H GLN 24 HN GLN 24 20.982 -15.111 -3.960 182 HA GLN 24 HA GLN 24 18.618 -15.353 -2.177 183 HB2 GLN 24 HB2 GLN 24 20.648 -14.943 -0.900 184 HB3 GLN 24 HB1 GLN 24 21.034 -13.551 -1.925 185 HG2 GLN 24 HG2 GLN 24 19.435 -12.223 -0.959 186 HG3 GLN 24 HG1 GLN 24 18.342 -13.572 -0.662 187 HE21 GLN 24 HE21 GLN 24 19.823 -15.298 0.901 188 HE22 GLN 24 HE22 GLN 24 20.319 -14.532 2.331 189 H TRP 25 HN TRP 25 19.993 -13.806 -4.890 190 HA TRP 25 HA TRP 25 18.165 -11.517 -4.700 191 HB2 TRP 25 HB2 TRP 25 20.126 -10.674 -5.486 192 HB3 TRP 25 HB1 TRP 25 20.586 -12.185 -6.275 193 HD1 TRP 25 HD1 TRP 25 18.697 -8.953 -6.842 194 HE1 TRP 25 HE1 TRP 25 18.019 -8.790 -9.324 195 HE3 TRP 25 HE3 TRP 25 19.949 -13.648 -8.412 196 HZ2 TRP 25 HZ2 TRP 25 18.009 -10.432 -11.666 197 HZ3 TRP 25 HZ3 TRP 25 19.596 -14.321 -10.771 198 HH2 TRP 25 HH2 TRP 25 18.628 -12.721 -12.399 199 H LEU 26 HN LEU 26 18.196 -14.641 -6.016 200 HA LEU 26 HA LEU 26 16.449 -13.970 -8.256 201 HB2 LEU 26 HB2 LEU 26 16.396 -16.667 -8.210 202 HB3 LEU 26 HB1 LEU 26 17.663 -15.740 -9.008 203 HG LEU 26 HG LEU 26 19.059 -15.889 -6.973 204 HD11 LEU 26 HD11 LEU 26 18.057 -17.823 -5.380 205 HD12 LEU 26 HD12 LEU 26 16.547 -17.089 -5.908 206 HD13 LEU 26 HD13 LEU 26 17.760 -16.110 -5.083 207 HD21 LEU 26 HD21 LEU 26 18.731 -18.674 -7.047 208 HD22 LEU 26 HD22 LEU 26 19.815 -17.714 -8.054 209 HD23 LEU 26 HD23 LEU 26 18.197 -18.113 -8.631 210 H MET 27 HN MET 27 16.036 -14.246 -5.029 211 HA MET 27 HA MET 27 13.276 -15.281 -5.319 212 HB2 MET 27 HB2 MET 27 14.633 -16.836 -4.008 213 HB3 MET 27 HB1 MET 27 15.129 -15.524 -2.937 214 HG2 MET 27 HG2 MET 27 13.078 -15.415 -1.894 215 HG3 MET 27 HG1 MET 27 12.200 -15.929 -3.334 216 HE1 MET 27 HE1 MET 27 12.042 -18.377 0.003 217 HE2 MET 27 HE2 MET 27 11.171 -17.068 -0.792 218 HE3 MET 27 HE3 MET 27 12.699 -16.735 0.020 219 H ASN 28 HN ASN 28 15.276 -13.340 -3.081 220 HA ASN 28 HA ASN 28 13.234 -11.891 -1.887 221 HB2 ASN 28 HB2 ASN 28 15.294 -11.574 -0.875 222 HB3 ASN 28 HB1 ASN 28 16.130 -11.340 -2.409 223 HD21 ASN 28 HD21 ASN 28 14.622 -9.695 0.220 224 HD22 ASN 28 HD22 ASN 28 14.664 -8.136 -0.448 225 H THR 29 HN THR 29 14.378 -11.731 -5.111 226 HA THR 29 HA THR 29 12.588 -9.458 -5.629 227 HB THR 29 HB THR 29 15.355 -9.635 -6.830 228 HG1 THR 29 HG1 THR 29 14.446 -8.623 -4.442 229 HG21 THR 29 HG21 THR 29 13.289 -7.420 -6.745 230 HG22 THR 29 HG22 THR 29 13.636 -8.436 -8.143 231 HG23 THR 29 HG23 THR 29 14.866 -7.334 -7.529 232 H GGL 101 HN2 LYX 13 31.393 -23.333 -6.550 233 HA GGL 101 HA2 LYX 13 31.182 -20.454 -6.825 234 HB2 GGL 101 HI2 LYX 13 32.791 -21.884 -5.307 235 HB3 GGL 101 HI1 LYX 13 33.783 -21.941 -6.763 236 HG2 GGL 101 HH2 LYX 13 33.229 -19.700 -4.945 237 HG3 GGL 101 HH1 LYX 13 33.130 -19.290 -6.657 238 H GGL 102 HN3 LYX 13 28.873 -23.509 -3.444 239 HA GGL 102 HA3 LYX 13 29.746 -21.334 -2.438 240 HB2 GGL 102 HJ2 LYX 13 30.511 -20.458 -4.581 241 HB3 GGL 102 HJ1 LYX 13 30.628 -22.218 -4.540 242 HG2 GGL 102 HK2 LYX 13 28.932 -20.495 -6.207 243 HG3 GGL 102 HK1 LYX 13 28.071 -21.830 -5.449 244 H21 PLM 103 H22 LYX 13 26.370 -24.632 -2.378 245 H22 PLM 103 H21 LYX 13 27.273 -23.718 -1.172 246 H31 PLM 103 H32 LYX 13 25.443 -22.259 -0.753 247 H32 PLM 103 H31 LYX 13 24.600 -22.767 -2.215 248 H41 PLM 103 H41 LYX 13 25.194 -24.990 -0.386 249 H42 PLM 103 H42 LYX 13 24.131 -23.770 0.318 250 H51 PLM 103 H51 LYX 13 23.707 -25.123 -2.367 251 H52 PLM 103 H52 LYX 13 22.638 -23.926 -1.635 252 H61 PLM 103 H62 LYX 13 22.164 -26.525 -1.350 253 H62 PLM 103 H61 LYX 13 23.339 -26.368 -0.047 254 H71 PLM 103 H72 LYX 13 21.855 -24.243 0.562 255 H72 PLM 103 H71 LYX 13 21.399 -25.855 1.109 256 H81 PLM 103 H82 LYX 13 20.374 -24.495 -1.402 257 H82 PLM 103 H81 LYX 13 19.914 -26.104 -0.847 258 H91 PLM 103 H91 LYX 13 19.335 -24.783 1.390 259 H92 PLM 103 H92 LYX 13 18.180 -24.862 0.060 260 HA1 PLM 103 H102 LYX 13 18.562 -22.668 -0.585 261 HA2 PLM 103 H101 LYX 13 20.207 -22.656 0.051 262 HB1 PLM 103 H111 LYX 13 17.665 -22.641 1.708 263 HB2 PLM 103 H112 LYX 13 19.305 -22.656 2.357 264 HC1 PLM 103 H122 LYX 13 18.050 -20.485 0.653 265 HC2 PLM 103 H121 LYX 13 19.749 -20.518 1.121 266 HD1 PLM 103 H132 LYX 13 17.954 -19.197 2.576 267 HD2 PLM 103 H131 LYX 13 17.674 -20.795 3.265 268 HE1 PLM 103 H142 LYX 13 20.379 -19.428 3.080 269 HE2 PLM 103 H141 LYX 13 20.058 -20.994 3.821 270 HF1 PLM 103 H151 LYX 13 18.930 -18.326 4.717 271 HF2 PLM 103 H152 LYX 13 18.515 -19.886 5.429 272 HG1 PLM 103 H162 LYX 13 21.209 -18.505 5.422 273 HG2 PLM 103 H163 LYX 13 20.235 -18.969 6.818 274 HG3 PLM 103 H161 LYX 13 21.018 -20.209 5.836 Start of MODEL 4 1 H1 HIS 1 HT1 HIS 1 25.584 -30.227 7.451 2 H2 HIS 1 HT2 HIS 1 26.466 -31.352 6.536 3 H3 HIS 1 HT3 HIS 1 24.771 -31.311 6.434 4 HA HIS 1 HA HIS 1 26.349 -30.138 4.648 5 HB2 HIS 1 HB2 HIS 1 24.438 -28.934 3.919 6 HB3 HIS 1 HB1 HIS 1 23.803 -30.393 4.695 7 HD2 HIS 1 HD2 HIS 1 23.028 -26.766 4.785 8 HE1 HIS 1 HE1 HIS 1 22.258 -28.037 8.734 9 HE2 HIS 1 HE2 HIS 1 21.932 -26.143 7.069 10 H AIB 2 HN AIB 2 26.529 -27.921 4.020 11 HB11 AIB 2 HB11 AIB 2 29.146 -26.897 4.559 12 HB12 AIB 2 HB12 AIB 2 28.972 -26.717 6.308 13 HB13 AIB 2 HB13 AIB 2 29.037 -25.283 5.272 14 HB21 AIB 2 HB21 AIB 2 25.552 -26.072 6.548 15 HB22 AIB 2 HB22 AIB 2 26.562 -24.639 6.364 16 HB23 AIB 2 HB23 AIB 2 27.140 -26.005 7.318 17 H GLN 3 HN GLN 3 24.950 -25.923 4.379 18 HA GLN 3 HA GLN 3 24.707 -25.182 1.943 19 HB2 GLN 3 HB2 GLN 3 23.564 -22.965 2.849 20 HB3 GLN 3 HB1 GLN 3 22.856 -24.553 3.110 21 HG2 GLN 3 HG2 GLN 3 23.980 -24.697 5.281 22 HG3 GLN 3 HG1 GLN 3 24.701 -23.126 5.015 23 HE21 GLN 3 HE21 GLN 3 21.366 -24.083 4.187 24 HE22 GLN 3 HE22 GLN 3 20.614 -23.023 5.280 25 H GLY 4 HN GLY 4 26.297 -23.299 4.221 26 HA2 GLY 4 HA2 GLY 4 27.971 -21.690 4.111 27 HA3 GLY 4 HA1 GLY 4 28.179 -22.129 2.418 28 H THR 5 HN THR 5 25.001 -21.501 2.939 29 HA THR 5 HA THR 5 24.694 -19.348 1.316 30 HB THR 5 HB THR 5 22.764 -20.440 2.029 31 HG1 THR 5 HG1 THR 5 21.869 -18.532 3.465 32 HG21 THR 5 HG21 THR 5 23.847 -21.148 4.251 33 HG22 THR 5 HG22 THR 5 22.112 -20.850 4.231 34 HG23 THR 5 HG23 THR 5 23.194 -19.621 4.859 35 H PHE 6 HN PHE 6 25.978 -19.523 4.343 36 HA PHE 6 HA PHE 6 26.169 -16.606 4.530 37 HB2 PHE 6 HB2 PHE 6 26.202 -16.835 6.910 38 HB3 PHE 6 HB1 PHE 6 24.789 -17.662 6.240 39 HD1 PHE 6 HD1 PHE 6 25.086 -20.162 5.780 40 HD2 PHE 6 HD2 PHE 6 27.601 -17.974 8.426 41 HE1 PHE 6 HE1 PHE 6 25.646 -22.257 6.893 42 HE2 PHE 6 HE2 PHE 6 28.205 -20.086 9.585 43 HZ PHE 6 HZ PHE 6 27.224 -22.240 8.827 44 H THR 7 HN THR 7 27.799 -19.392 5.790 45 HA THR 7 HA THR 7 30.357 -18.058 5.793 46 HB THR 7 HB THR 7 29.805 -19.563 7.614 47 HG1 THR 7 HG1 THR 7 31.696 -20.877 7.446 48 HG21 THR 7 HG21 THR 7 28.394 -21.013 6.203 49 HG22 THR 7 HG22 THR 7 29.495 -21.910 7.236 50 HG23 THR 7 HG23 THR 7 29.848 -21.713 5.518 51 H SER 8 HN SER 8 28.845 -19.032 3.250 52 HA SER 8 HA SER 8 30.272 -21.010 1.996 53 HB2 SER 8 HB2 SER 8 28.822 -18.631 0.968 54 HB3 SER 8 HB1 SER 8 29.862 -19.508 -0.150 55 HG SER 8 HG SER 8 28.695 -21.368 0.267 56 H ASP 9 HN ASP 9 31.532 -18.242 3.158 57 HA ASP 9 HA ASP 9 33.708 -18.139 1.198 58 HB2 ASP 9 HB2 ASP 9 32.667 -16.043 1.702 59 HB3 ASP 9 HB1 ASP 9 32.859 -16.311 3.434 60 H TYR 10 HN TYR 10 33.125 -18.419 4.694 61 HA TYR 10 HA TYR 10 35.909 -18.996 5.239 62 HB2 TYR 10 HB2 TYR 10 34.031 -19.695 7.357 63 HB3 TYR 10 HB1 TYR 10 35.381 -18.567 7.387 64 HD1 TYR 10 HD2 TYR 10 34.637 -16.590 5.331 65 HD2 TYR 10 HD1 TYR 10 32.196 -18.575 8.254 66 HE1 TYR 10 HE2 TYR 10 33.036 -14.697 5.283 67 HE2 TYR 10 HE1 TYR 10 30.595 -16.696 8.204 68 HH TYR 10 HH TYR 10 30.281 -14.602 5.934 69 H SER 11 HN SER 11 33.901 -20.745 3.593 70 HA SER 11 HA SER 11 34.772 -23.292 4.808 71 HB2 SER 11 HB2 SER 11 32.031 -22.373 4.182 72 HB3 SER 11 HB1 SER 11 32.424 -24.013 3.669 73 HG SER 11 HG SER 11 31.616 -23.676 5.907 74 H LYS 12 HN LYS 12 33.806 -21.483 1.953 75 HA LYS 12 HA LYS 12 34.864 -23.636 0.225 76 HB2 LYS 12 HB2 LYS 12 33.404 -21.266 -0.863 77 HB3 LYS 12 HB1 LYS 12 33.447 -22.913 -1.464 78 HG2 LYS 12 HG2 LYS 12 32.071 -22.157 1.129 79 HG3 LYS 12 HG1 LYS 12 31.249 -22.155 -0.417 80 HD2 LYS 12 HD2 LYS 12 32.253 -24.617 -0.573 81 HD3 LYS 12 HD1 LYS 12 32.268 -24.464 1.183 82 HE2 LYS 12 HE2 LYS 12 30.136 -25.378 0.628 83 HE3 LYS 12 HE1 LYS 12 29.853 -23.678 1.000 84 HZ1 LYS 12 HZ1 LYS 12 29.671 -25.075 -1.539 85 HZ2 LYS 12 HZ2 LYS 12 30.355 -23.520 -1.595 86 HZ3 LYS 12 HZ3 LYS 12 28.795 -23.742 -0.965 87 H LYS 13 HN LYX 13 34.750 -20.109 0.510 88 HA LYS 13 HA LYX 13 37.365 -19.401 0.433 89 HB2 LYS 13 HB2 LYX 13 37.593 -18.823 -2.076 90 HB3 LYS 13 HB1 LYX 13 37.949 -20.477 -1.582 91 HG2 LYS 13 HG2 LYX 13 36.216 -21.324 -2.774 92 HG3 LYS 13 HG1 LYX 13 35.113 -20.078 -2.197 93 HD2 LYS 13 HD2 LYX 13 36.302 -18.484 -3.855 94 HD3 LYS 13 HD1 LYX 13 37.030 -19.932 -4.540 95 HE2 LYS 13 HE2 LYX 13 34.072 -19.920 -4.168 96 HE3 LYS 13 HE1 LYX 13 34.735 -18.927 -5.457 97 HZ1 LYS 13 HZ1 LYX 13 34.949 -20.898 -6.625 98 H LEU 14 HN LEU 14 35.484 -18.377 -2.302 99 HA LEU 14 HA LEU 14 34.989 -15.814 -1.004 100 HB2 LEU 14 HB2 LEU 14 36.195 -15.698 -3.136 101 HB3 LEU 14 HB1 LEU 14 34.909 -16.608 -3.926 102 HG LEU 14 HG LEU 14 33.303 -14.791 -3.416 103 HD11 LEU 14 HD11 LEU 14 35.677 -13.766 -1.921 104 HD12 LEU 14 HD12 LEU 14 33.965 -13.653 -1.519 105 HD13 LEU 14 HD13 LEU 14 34.658 -12.579 -2.734 106 HD21 LEU 14 HD21 LEU 14 34.299 -13.084 -4.930 107 HD22 LEU 14 HD22 LEU 14 34.493 -14.726 -5.547 108 HD23 LEU 14 HD23 LEU 14 35.856 -13.901 -4.789 109 H ASP 15 HN ASP 15 32.871 -14.953 -0.953 110 HA ASP 15 HA ASP 15 30.737 -16.937 -1.463 111 HB2 ASP 15 HB2 ASP 15 30.542 -16.418 0.792 112 HB3 ASP 15 HB1 ASP 15 31.076 -14.752 0.563 113 H AIB 16 HN AIB 16 31.867 -13.692 -2.097 114 HB11 AIB 16 HB11 AIB 16 28.735 -12.953 -2.337 115 HB12 AIB 16 HB12 AIB 16 28.489 -13.438 -4.014 116 HB13 AIB 16 HB13 AIB 16 28.725 -11.737 -3.615 117 HB21 AIB 16 HB21 AIB 16 31.641 -11.536 -2.342 118 HB22 AIB 16 HB22 AIB 16 30.451 -10.780 -3.400 119 HB23 AIB 16 HB23 AIB 16 31.951 -11.417 -4.074 120 H ARG 17 HN ARG 17 31.383 -15.198 -4.255 121 HA ARG 17 HA ARG 17 32.478 -14.794 -6.745 122 HB2 ARG 17 HB2 ARG 17 31.347 -17.233 -7.108 123 HB3 ARG 17 HB1 ARG 17 32.806 -16.974 -6.154 124 HG2 ARG 17 HG2 ARG 17 31.624 -17.000 -4.116 125 HG3 ARG 17 HG1 ARG 17 30.073 -16.747 -4.912 126 HD2 ARG 17 HD2 ARG 17 30.724 -19.140 -4.072 127 HD3 ARG 17 HD1 ARG 17 29.926 -18.954 -5.624 128 HE ARG 17 HE ARG 17 32.761 -19.576 -5.191 129 HH11 ARG 17 HH21 ARG 17 30.116 -19.010 -7.369 130 HH12 ARG 17 HH22 ARG 17 30.887 -19.797 -8.702 131 HH21 ARG 17 HH11 ARG 17 33.744 -20.615 -6.923 132 HH22 ARG 17 HH12 ARG 17 32.939 -20.700 -8.455 133 H ARG 18 HN ARG 18 29.111 -15.753 -6.076 134 HA ARG 18 HA ARG 18 28.267 -15.401 -8.797 135 HB2 ARG 18 HB2 ARG 18 26.731 -15.712 -6.201 136 HB3 ARG 18 HB1 ARG 18 25.966 -15.641 -7.785 137 HG2 ARG 18 HG2 ARG 18 26.311 -17.858 -7.994 138 HG3 ARG 18 HG1 ARG 18 28.045 -17.546 -8.032 139 HD2 ARG 18 HD2 ARG 18 27.722 -19.103 -6.271 140 HD3 ARG 18 HD1 ARG 18 27.948 -17.550 -5.472 141 HE ARG 18 HE ARG 18 25.687 -17.591 -4.853 142 HH11 ARG 18 HH21 ARG 18 26.494 -20.167 -7.021 143 HH12 ARG 18 HH22 ARG 18 25.039 -21.058 -6.721 144 HH21 ARG 18 HH11 ARG 18 23.775 -18.763 -4.455 145 HH22 ARG 18 HH12 ARG 18 23.504 -20.263 -5.275 146 H ALA 19 HN ALA 19 29.472 -13.161 -7.006 147 HA ALA 19 HA ALA 19 29.346 -10.862 -7.068 148 HB1 ALA 19 HB1 ALA 19 28.083 -11.566 -9.374 149 HB2 ALA 19 HB2 ALA 19 28.290 -9.899 -8.836 150 HB3 ALA 19 HB3 ALA 19 26.775 -10.744 -8.521 151 H GLN 20 HN GLN 20 26.117 -12.342 -6.880 152 HA GLN 20 HA GLN 20 25.461 -12.069 -4.285 153 HB2 GLN 20 HB2 GLN 20 25.849 -9.815 -3.937 154 HB3 GLN 20 HB1 GLN 20 25.455 -9.380 -5.603 155 HG2 GLN 20 HG2 GLN 20 23.120 -9.514 -5.199 156 HG3 GLN 20 HG1 GLN 20 23.349 -10.413 -3.699 157 HE21 GLN 20 HE21 GLN 20 22.579 -8.996 -2.101 158 HE22 GLN 20 HE22 GLN 20 23.097 -7.390 -1.921 159 H ASP 21 HN ASP 21 24.618 -11.571 -7.577 160 HA ASP 21 HA ASP 21 21.858 -11.590 -7.618 161 HB2 ASP 21 HB2 ASP 21 24.040 -12.334 -9.409 162 HB3 ASP 21 HB1 ASP 21 22.578 -13.288 -9.687 163 H PHE 22 HN PHE 22 23.951 -13.915 -6.342 164 HA PHE 22 HA PHE 22 22.887 -16.370 -6.812 165 HB2 PHE 22 HB2 PHE 22 23.986 -17.056 -4.941 166 HB3 PHE 22 HB1 PHE 22 24.670 -15.433 -5.015 167 HD1 PHE 22 HD2 PHE 22 22.065 -17.543 -3.432 168 HD2 PHE 22 HD1 PHE 22 24.080 -13.752 -3.406 169 HE1 PHE 22 HE2 PHE 22 21.038 -17.015 -1.243 170 HE2 PHE 22 HE1 PHE 22 23.056 -13.221 -1.213 171 HZ PHE 22 HZ PHE 22 21.534 -14.853 -0.127 172 H VAL 23 HN VAL 23 21.389 -13.695 -5.199 173 HA VAL 23 HA VAL 23 19.409 -15.002 -3.698 174 HB VAL 23 HB VAL 23 18.909 -12.410 -5.148 175 HG11 VAL 23 HG11 VAL 23 17.104 -13.368 -3.771 176 HG12 VAL 23 HG12 VAL 23 17.730 -11.890 -3.039 177 HG13 VAL 23 HG13 VAL 23 18.199 -13.463 -2.393 178 HG21 VAL 23 HG21 VAL 23 20.020 -11.698 -2.729 179 HG22 VAL 23 HG22 VAL 23 20.868 -11.657 -4.274 180 HG23 VAL 23 HG23 VAL 23 21.036 -13.054 -3.214 181 H GLN 24 HN GLN 24 19.501 -14.038 -7.100 182 HA GLN 24 HA GLN 24 16.809 -14.826 -7.663 183 HB2 GLN 24 HB2 GLN 24 18.995 -13.613 -9.075 184 HB3 GLN 24 HB1 GLN 24 18.367 -14.967 -10.030 185 HG2 GLN 24 HG2 GLN 24 17.132 -12.928 -10.583 186 HG3 GLN 24 HG1 GLN 24 16.067 -14.059 -9.749 187 HE21 GLN 24 HE21 GLN 24 15.288 -13.466 -7.637 188 HE22 GLN 24 HE22 GLN 24 15.580 -11.938 -6.957 189 H TRP 25 HN TRP 25 19.858 -16.455 -7.449 190 HA TRP 25 HA TRP 25 19.709 -18.638 -9.048 191 HB2 TRP 25 HB2 TRP 25 21.401 -18.121 -7.184 192 HB3 TRP 25 HB1 TRP 25 20.305 -18.994 -6.114 193 HD1 TRP 25 HD1 TRP 25 22.403 -19.502 -9.300 194 HE1 TRP 25 HE1 TRP 25 22.915 -22.016 -9.546 195 HE3 TRP 25 HE3 TRP 25 19.630 -21.350 -5.436 196 HZ2 TRP 25 HZ2 TRP 25 22.234 -24.489 -8.271 197 HZ3 TRP 25 HZ3 TRP 25 19.574 -23.781 -4.973 198 HH2 TRP 25 HH2 TRP 25 20.873 -25.354 -6.384 199 H LEU 26 HN LEU 26 18.349 -18.762 -5.738 200 HA LEU 26 HA LEU 26 16.547 -20.895 -6.624 201 HB2 LEU 26 HB2 LEU 26 16.007 -20.800 -4.029 202 HB3 LEU 26 HB1 LEU 26 17.463 -21.589 -4.623 203 HG LEU 26 HG LEU 26 18.776 -19.566 -4.187 204 HD11 LEU 26 HD11 LEU 26 17.182 -17.824 -4.599 205 HD12 LEU 26 HD12 LEU 26 17.619 -17.702 -2.896 206 HD13 LEU 26 HD13 LEU 26 16.089 -18.444 -3.363 207 HD21 LEU 26 HD21 LEU 26 17.146 -19.953 -1.695 208 HD22 LEU 26 HD22 LEU 26 18.896 -19.828 -1.872 209 HD23 LEU 26 HD23 LEU 26 18.066 -21.308 -2.346 210 H MET 27 HN MET 27 15.944 -18.424 -7.715 211 HA MET 27 HA MET 27 13.342 -17.885 -6.441 212 HB2 MET 27 HB2 MET 27 15.438 -16.107 -6.252 213 HB3 MET 27 HB1 MET 27 14.567 -15.523 -7.670 214 HG2 MET 27 HG2 MET 27 12.436 -15.707 -6.280 215 HG3 MET 27 HG1 MET 27 13.481 -15.946 -4.879 216 HE1 MET 27 HE1 MET 27 11.949 -12.293 -4.853 217 HE2 MET 27 HE2 MET 27 12.336 -13.607 -3.747 218 HE3 MET 27 HE3 MET 27 11.341 -13.925 -5.166 219 H ASN 28 HN ASN 28 15.385 -17.337 -9.306 220 HA ASN 28 HA ASN 28 12.999 -17.151 -10.992 221 HB2 ASN 28 HB2 ASN 28 15.614 -16.050 -11.092 222 HB3 ASN 28 HB1 ASN 28 15.431 -17.098 -12.499 223 HD21 ASN 28 HD21 ASN 28 14.215 -16.279 -14.231 224 HD22 ASN 28 HD22 ASN 28 13.267 -14.873 -14.151 225 H THR 29 HN THR 29 14.727 -19.595 -9.711 226 HA THR 29 HA THR 29 13.930 -21.430 -11.832 227 HB THR 29 HB THR 29 16.802 -21.200 -10.902 228 HG1 THR 29 HG1 THR 29 17.163 -20.689 -13.046 229 HG21 THR 29 HG21 THR 29 15.246 -23.399 -12.063 230 HG22 THR 29 HG22 THR 29 16.824 -23.431 -11.276 231 HG23 THR 29 HG23 THR 29 16.699 -23.006 -12.983 232 H GGL 101 HN2 LYX 13 31.633 -22.430 -4.486 233 HA GGL 101 HA2 LYX 13 32.076 -25.262 -5.205 234 HB2 GGL 101 HI2 LYX 13 34.470 -24.909 -4.891 235 HB3 GGL 101 HI1 LYX 13 33.844 -23.835 -6.139 236 HG2 GGL 101 HH2 LYX 13 34.778 -23.173 -3.371 237 HG3 GGL 101 HH1 LYX 13 33.523 -22.176 -4.114 238 H GGL 102 HN3 LYX 13 29.608 -24.771 -3.408 239 HA GGL 102 HA3 LYX 13 30.225 -22.548 -3.272 240 HB2 GGL 102 HJ2 LYX 13 27.659 -22.459 -4.851 241 HB3 GGL 102 HJ1 LYX 13 28.499 -20.980 -4.413 242 HG2 GGL 102 HK2 LYX 13 28.991 -22.265 -6.706 243 HG3 GGL 102 HK1 LYX 13 30.220 -21.354 -5.846 244 H21 PLM 103 H22 LYX 13 27.790 -25.757 -1.519 245 H22 PLM 103 H21 LYX 13 27.066 -24.171 -1.269 246 H31 PLM 103 H32 LYX 13 25.137 -25.074 -2.773 247 H32 PLM 103 H31 LYX 13 25.804 -26.663 -2.392 248 H41 PLM 103 H41 LYX 13 25.581 -26.189 0.019 249 H42 PLM 103 H42 LYX 13 24.939 -24.588 -0.349 250 H51 PLM 103 H51 LYX 13 23.362 -26.753 0.068 251 H52 PLM 103 H52 LYX 13 23.583 -26.880 -1.675 252 H61 PLM 103 H62 LYX 13 23.017 -24.299 -1.634 253 H62 PLM 103 H61 LYX 13 21.721 -25.489 -1.569 254 H71 PLM 103 H72 LYX 13 22.972 -24.088 0.813 255 H72 PLM 103 H71 LYX 13 21.724 -25.328 0.914 256 H81 PLM 103 H82 LYX 13 21.445 -22.494 0.365 257 H82 PLM 103 H81 LYX 13 20.752 -23.451 -0.943 258 H91 PLM 103 H91 LYX 13 20.153 -23.968 1.986 259 H92 PLM 103 H92 LYX 13 19.341 -24.662 0.587 260 HA1 PLM 103 H102 LYX 13 17.895 -22.925 1.333 261 HA2 PLM 103 H101 LYX 13 18.722 -22.267 -0.075 262 HB1 PLM 103 H111 LYX 13 20.321 -21.704 2.245 263 HB2 PLM 103 H112 LYX 13 19.508 -20.568 1.172 264 HC1 PLM 103 H122 LYX 13 18.219 -21.989 3.524 265 HC2 PLM 103 H121 LYX 13 17.419 -20.838 2.454 266 HD1 PLM 103 H132 LYX 13 19.699 -19.473 3.236 267 HD2 PLM 103 H131 LYX 13 18.089 -19.244 3.915 268 HE1 PLM 103 H142 LYX 13 19.969 -21.377 4.948 269 HE2 PLM 103 H141 LYX 13 18.522 -20.737 5.722 270 HF1 PLM 103 H151 LYX 13 20.946 -19.020 5.126 271 HF2 PLM 103 H152 LYX 13 19.577 -18.627 6.160 272 HG1 PLM 103 H162 LYX 13 20.579 -21.047 7.177 273 HG2 PLM 103 H163 LYX 13 22.009 -20.081 6.809 274 HG3 PLM 103 H161 LYX 13 20.769 -19.447 7.891 Start of MODEL 5 1 H1 HIS 1 HT1 HIS 1 18.127 -27.447 6.621 2 H2 HIS 1 HT2 HIS 1 19.383 -28.531 6.987 3 H3 HIS 1 HT3 HIS 1 18.221 -28.938 5.816 4 HA HIS 1 HA HIS 1 20.100 -28.295 4.586 5 HB2 HIS 1 HB2 HIS 1 19.349 -26.393 3.381 6 HB3 HIS 1 HB1 HIS 1 17.880 -27.195 3.958 7 HD2 HIS 1 HD2 HIS 1 19.159 -23.717 3.843 8 HE1 HIS 1 HE1 HIS 1 16.972 -23.837 7.449 9 HE2 HIS 1 HE2 HIS 1 18.086 -22.305 5.756 10 H AIB 2 HN AIB 2 21.560 -26.585 4.019 11 HB11 AIB 2 HB11 AIB 2 24.757 -25.484 5.826 12 HB12 AIB 2 HB12 AIB 2 24.100 -27.016 5.233 13 HB13 AIB 2 HB13 AIB 2 23.727 -26.469 6.869 14 HB21 AIB 2 HB21 AIB 2 21.193 -24.180 6.220 15 HB22 AIB 2 HB22 AIB 2 22.821 -23.510 6.304 16 HB23 AIB 2 HB23 AIB 2 22.361 -24.840 7.367 17 H GLN 3 HN GLN 3 21.243 -24.023 3.994 18 HA GLN 3 HA GLN 3 21.899 -23.575 1.569 19 HB2 GLN 3 HB2 GLN 3 22.031 -20.982 2.204 20 HB3 GLN 3 HB1 GLN 3 20.528 -21.896 2.253 21 HG2 GLN 3 HG2 GLN 3 20.884 -22.366 4.627 22 HG3 GLN 3 HG1 GLN 3 22.401 -21.494 4.583 23 HE21 GLN 3 HE21 GLN 3 19.788 -20.220 2.656 24 HE22 GLN 3 HE22 GLN 3 19.381 -18.936 3.689 25 H GLY 4 HN GLY 4 23.805 -22.531 4.124 26 HA2 GLY 4 HA2 GLY 4 26.054 -22.073 4.377 27 HA3 GLY 4 HA1 GLY 4 26.320 -22.777 2.788 28 H THR 5 HN THR 5 23.954 -20.498 2.656 29 HA THR 5 HA THR 5 25.117 -18.710 0.952 30 HB THR 5 HB THR 5 22.780 -18.708 1.326 31 HG1 THR 5 HG1 THR 5 24.264 -16.495 1.612 32 HG21 THR 5 HG21 THR 5 22.938 -19.447 3.701 33 HG22 THR 5 HG22 THR 5 21.759 -18.159 3.428 34 HG23 THR 5 HG23 THR 5 23.330 -17.772 4.118 35 H PHE 6 HN PHE 6 25.670 -19.197 4.146 36 HA PHE 6 HA PHE 6 27.096 -16.653 4.413 37 HB2 PHE 6 HB2 PHE 6 26.628 -16.729 6.769 38 HB3 PHE 6 HB1 PHE 6 25.134 -16.896 5.833 39 HD1 PHE 6 HD1 PHE 6 24.360 -19.274 5.358 40 HD2 PHE 6 HD2 PHE 6 27.124 -18.331 8.459 41 HE1 PHE 6 HE1 PHE 6 23.748 -21.359 6.456 42 HE2 PHE 6 HE2 PHE 6 26.530 -20.448 9.613 43 HZ PHE 6 HZ PHE 6 24.837 -21.974 8.619 44 H THR 7 HN THR 7 27.194 -19.715 6.074 45 HA THR 7 HA THR 7 29.916 -19.585 6.707 46 HB THR 7 HB THR 7 28.526 -20.993 7.996 47 HG1 THR 7 HG1 THR 7 29.836 -23.025 6.730 48 HG21 THR 7 HG21 THR 7 27.496 -22.988 6.969 49 HG22 THR 7 HG22 THR 7 28.061 -22.407 5.401 50 HG23 THR 7 HG23 THR 7 26.902 -21.459 6.329 51 H SER 8 HN SER 8 28.800 -19.689 3.730 52 HA SER 8 HA SER 8 30.359 -21.755 2.536 53 HB2 SER 8 HB2 SER 8 30.008 -20.263 0.440 54 HB3 SER 8 HB1 SER 8 28.614 -21.056 1.160 55 HG SER 8 HG SER 8 28.706 -18.597 0.692 56 H ASP 9 HN ASP 9 30.860 -18.809 1.118 57 HA ASP 9 HA ASP 9 33.245 -18.488 0.381 58 HB2 ASP 9 HB2 ASP 9 32.137 -16.497 0.476 59 HB3 ASP 9 HB1 ASP 9 31.750 -16.678 2.190 60 H TYR 10 HN TYR 10 32.817 -18.231 3.961 61 HA TYR 10 HA TYR 10 35.600 -18.031 4.483 62 HB2 TYR 10 HB2 TYR 10 34.014 -19.329 6.595 63 HB3 TYR 10 HB1 TYR 10 34.991 -17.866 6.660 64 HD1 TYR 10 HD1 TYR 10 33.779 -16.160 4.604 65 HD2 TYR 10 HD2 TYR 10 31.910 -18.766 7.466 66 HE1 TYR 10 HE1 TYR 10 31.717 -14.786 4.510 67 HE2 TYR 10 HE2 TYR 10 29.837 -17.406 7.360 68 HH TYR 10 HH TYR 10 28.745 -15.831 5.926 69 H SER 11 HN SER 11 33.334 -20.712 4.616 70 HA SER 11 HA SER 11 35.379 -22.691 5.100 71 HB2 SER 11 HB2 SER 11 32.994 -22.785 5.931 72 HB3 SER 11 HB1 SER 11 32.501 -23.072 4.266 73 HG SER 11 HG SER 11 33.588 -24.981 4.272 74 H LYS 12 HN LYS 12 33.798 -21.221 2.388 75 HA LYS 12 HA LYS 12 34.603 -23.318 0.536 76 HB2 LYS 12 HB2 LYS 12 32.894 -20.877 0.386 77 HB3 LYS 12 HB1 LYS 12 33.618 -21.468 -1.096 78 HG2 LYS 12 HG2 LYS 12 32.117 -23.326 0.741 79 HG3 LYS 12 HG1 LYS 12 31.273 -22.345 -0.453 80 HD2 LYS 12 HD2 LYS 12 32.915 -23.322 -2.181 81 HD3 LYS 12 HD1 LYS 12 33.338 -24.505 -0.950 82 HE2 LYS 12 HE2 LYS 12 31.577 -25.715 -1.633 83 HE3 LYS 12 HE1 LYS 12 30.529 -24.455 -0.986 84 HZ1 LYS 12 HZ1 LYS 12 31.721 -24.391 -3.705 85 HZ2 LYS 12 HZ2 LYS 12 30.550 -23.333 -3.074 86 HZ3 LYS 12 HZ3 LYS 12 30.158 -24.960 -3.370 87 H LYS 13 HN LYX 13 34.688 -19.939 -0.309 88 HA LYS 13 HA LYX 13 37.606 -19.833 -0.346 89 HB2 LYS 13 HB2 LYX 13 36.996 -18.993 -2.913 90 HB3 LYS 13 HB1 LYX 13 37.723 -20.549 -2.486 91 HG2 LYS 13 HG2 LYX 13 35.564 -21.620 -2.395 92 HG3 LYS 13 HG1 LYX 13 34.737 -20.076 -2.543 93 HD2 LYS 13 HD2 LYX 13 35.564 -19.795 -4.813 94 HD3 LYS 13 HD1 LYX 13 36.523 -21.271 -4.674 95 HE2 LYS 13 HE2 LYX 13 34.579 -21.993 -5.802 96 HE3 LYS 13 HE1 LYX 13 34.264 -22.439 -4.131 97 HZ1 LYS 13 HZ1 LYX 13 32.992 -20.251 -5.617 98 H LEU 14 HN LEU 14 35.296 -18.105 -2.371 99 HA LEU 14 HA LEU 14 35.742 -15.679 -0.774 100 HB2 LEU 14 HB2 LEU 14 37.180 -15.600 -2.742 101 HB3 LEU 14 HB1 LEU 14 35.799 -15.930 -3.784 102 HG LEU 14 HG LEU 14 34.750 -13.803 -3.072 103 HD11 LEU 14 HD11 LEU 14 36.579 -12.262 -1.867 104 HD12 LEU 14 HD12 LEU 14 37.093 -13.819 -1.219 105 HD13 LEU 14 HD13 LEU 14 35.450 -13.247 -0.941 106 HD21 LEU 14 HD21 LEU 14 36.973 -14.131 -4.733 107 HD22 LEU 14 HD22 LEU 14 37.375 -12.727 -3.746 108 HD23 LEU 14 HD23 LEU 14 35.893 -12.738 -4.702 109 H ASP 15 HN ASP 15 33.996 -14.221 -0.668 110 HA ASP 15 HA ASP 15 31.414 -15.371 -1.468 111 HB2 ASP 15 HB2 ASP 15 32.275 -14.052 0.848 112 HB3 ASP 15 HB1 ASP 15 31.248 -12.888 0.017 113 H AIB 16 HN AIB 16 33.169 -12.273 -1.607 114 HB11 AIB 16 HB11 AIB 16 30.282 -11.245 -2.543 115 HB12 AIB 16 HB12 AIB 16 30.428 -11.559 -4.273 116 HB13 AIB 16 HB13 AIB 16 30.678 -9.928 -3.647 117 HB21 AIB 16 HB21 AIB 16 34.025 -10.010 -3.068 118 HB22 AIB 16 HB22 AIB 16 32.946 -9.987 -1.673 119 HB23 AIB 16 HB23 AIB 16 32.493 -9.141 -3.152 120 H ARG 17 HN ARG 17 32.211 -13.533 -4.447 121 HA ARG 17 HA ARG 17 33.962 -12.666 -6.658 122 HB2 ARG 17 HB2 ARG 17 34.357 -15.039 -7.075 123 HB3 ARG 17 HB1 ARG 17 34.716 -14.647 -5.398 124 HG2 ARG 17 HG2 ARG 17 33.296 -16.272 -4.777 125 HG3 ARG 17 HG1 ARG 17 31.978 -15.315 -5.452 126 HD2 ARG 17 HD2 ARG 17 32.448 -16.327 -7.680 127 HD3 ARG 17 HD1 ARG 17 33.671 -17.348 -6.930 128 HE ARG 17 HE ARG 17 31.111 -17.583 -5.641 129 HH11 ARG 17 HH21 ARG 17 33.048 -18.556 -8.336 130 HH12 ARG 17 HH22 ARG 17 32.218 -20.058 -8.569 131 HH21 ARG 17 HH11 ARG 17 30.018 -19.553 -5.939 132 HH22 ARG 17 HH12 ARG 17 30.502 -20.622 -7.211 133 H ARG 18 HN ARG 18 30.765 -13.693 -5.854 134 HA ARG 18 HA ARG 18 30.030 -14.304 -8.605 135 HB2 ARG 18 HB2 ARG 18 28.533 -14.264 -5.989 136 HB3 ARG 18 HB1 ARG 18 27.707 -14.478 -7.530 137 HG2 ARG 18 HG2 ARG 18 28.506 -16.588 -7.829 138 HG3 ARG 18 HG1 ARG 18 30.099 -16.180 -7.201 139 HD2 ARG 18 HD2 ARG 18 29.189 -17.737 -5.653 140 HD3 ARG 18 HD1 ARG 18 29.004 -16.172 -4.874 141 HE ARG 18 HE ARG 18 26.685 -16.334 -5.192 142 HH11 ARG 18 HH21 ARG 18 28.409 -18.845 -6.839 143 HH12 ARG 18 HH22 ARG 18 26.996 -19.795 -7.154 144 HH21 ARG 18 HH11 ARG 18 24.829 -17.582 -5.602 145 HH22 ARG 18 HH12 ARG 18 24.974 -19.082 -6.456 146 H ALA 19 HN ALA 19 31.017 -11.620 -7.903 147 HA ALA 19 HA ALA 19 30.560 -9.488 -8.655 148 HB1 ALA 19 HB1 ALA 19 27.745 -10.114 -9.375 149 HB2 ALA 19 HB2 ALA 19 29.006 -10.948 -10.283 150 HB3 ALA 19 HB3 ALA 19 28.956 -9.185 -10.258 151 H GLN 20 HN GLN 20 27.768 -11.061 -7.145 152 HA GLN 20 HA GLN 20 27.345 -10.347 -4.758 153 HB2 GLN 20 HB2 GLN 20 28.276 -8.110 -4.859 154 HB3 GLN 20 HB1 GLN 20 27.149 -7.654 -6.144 155 HG2 GLN 20 HG2 GLN 20 25.470 -7.272 -4.669 156 HG3 GLN 20 HG1 GLN 20 25.838 -8.726 -3.741 157 HE21 GLN 20 HE21 GLN 20 26.819 -5.316 -4.188 158 HE22 GLN 20 HE22 GLN 20 27.549 -5.165 -2.663 159 H ASP 21 HN ASP 21 26.080 -11.914 -6.357 160 HA ASP 21 HA ASP 21 23.314 -10.895 -6.431 161 HB2 ASP 21 HB2 ASP 21 24.963 -11.582 -8.664 162 HB3 ASP 21 HB1 ASP 21 23.659 -12.767 -8.533 163 H PHE 22 HN PHE 22 25.514 -13.628 -6.474 164 HA PHE 22 HA PHE 22 25.166 -15.868 -6.065 165 HB2 PHE 22 HB2 PHE 22 24.415 -16.156 -3.611 166 HB3 PHE 22 HB1 PHE 22 25.905 -15.294 -3.942 167 HD1 PHE 22 HD1 PHE 22 25.634 -12.661 -4.271 168 HD2 PHE 22 HD2 PHE 22 22.872 -15.190 -2.164 169 HE1 PHE 22 HE1 PHE 22 24.791 -10.698 -3.016 170 HE2 PHE 22 HE2 PHE 22 22.025 -13.224 -0.917 171 HZ PHE 22 HZ PHE 22 22.983 -10.978 -1.343 172 H VAL 23 HN VAL 23 22.422 -14.915 -4.069 173 HA VAL 23 HA VAL 23 20.730 -16.626 -5.770 174 HB VAL 23 HB VAL 23 19.357 -17.024 -3.838 175 HG11 VAL 23 HG11 VAL 23 22.097 -17.701 -3.993 176 HG12 VAL 23 HG12 VAL 23 20.842 -18.540 -3.079 177 HG13 VAL 23 HG13 VAL 23 21.798 -17.272 -2.308 178 HG21 VAL 23 HG21 VAL 23 19.139 -15.208 -2.484 179 HG22 VAL 23 HG22 VAL 23 20.743 -14.601 -2.893 180 HG23 VAL 23 HG23 VAL 23 20.562 -15.853 -1.664 181 H GLN 24 HN GLN 24 21.202 -14.067 -6.667 182 HA GLN 24 HA GLN 24 20.207 -12.028 -7.144 183 HB2 GLN 24 HB2 GLN 24 18.024 -14.094 -7.423 184 HB3 GLN 24 HB1 GLN 24 17.787 -12.403 -7.886 185 HG2 GLN 24 HG2 GLN 24 19.740 -12.550 -9.393 186 HG3 GLN 24 HG1 GLN 24 19.940 -14.243 -8.952 187 HE21 GLN 24 HE21 GLN 24 19.492 -13.659 -11.649 188 HE22 GLN 24 HE22 GLN 24 17.925 -14.142 -12.087 189 H TRP 25 HN TRP 25 20.280 -12.712 -4.257 190 HA TRP 25 HA TRP 25 17.798 -12.042 -3.034 191 HB2 TRP 25 HB2 TRP 25 19.538 -13.041 -1.685 192 HB3 TRP 25 HB1 TRP 25 20.640 -11.712 -2.041 193 HD1 TRP 25 HD1 TRP 25 17.507 -12.567 -0.029 194 HE1 TRP 25 HE1 TRP 25 17.133 -10.739 1.751 195 HE3 TRP 25 HE3 TRP 25 21.111 -9.225 -1.407 196 HZ2 TRP 25 HZ2 TRP 25 18.219 -8.192 2.485 197 HZ3 TRP 25 HZ3 TRP 25 21.418 -7.117 -0.182 198 HH2 TRP 25 HH2 TRP 25 19.980 -6.589 1.777 199 H LEU 26 HN LEU 26 19.599 -10.251 -5.091 200 HA LEU 26 HA LEU 26 18.455 -7.763 -4.063 201 HB2 LEU 26 HB2 LEU 26 20.619 -6.583 -4.591 202 HB3 LEU 26 HB1 LEU 26 20.669 -7.641 -3.190 203 HG LEU 26 HG LEU 26 22.695 -7.885 -4.555 204 HD11 LEU 26 HD11 LEU 26 21.375 -10.467 -5.190 205 HD12 LEU 26 HD12 LEU 26 21.315 -9.956 -3.509 206 HD13 LEU 26 HD13 LEU 26 22.862 -10.139 -4.306 207 HD21 LEU 26 HD21 LEU 26 22.724 -8.444 -6.818 208 HD22 LEU 26 HD22 LEU 26 21.345 -7.356 -6.733 209 HD23 LEU 26 HD23 LEU 26 21.092 -9.104 -6.786 210 H MET 27 HN MET 27 18.632 -9.854 -6.523 211 HA MET 27 HA MET 27 18.647 -7.807 -8.642 212 HB2 MET 27 HB2 MET 27 19.878 -10.219 -8.601 213 HB3 MET 27 HB1 MET 27 18.346 -10.661 -9.356 214 HG2 MET 27 HG2 MET 27 19.704 -10.024 -11.182 215 HG3 MET 27 HG1 MET 27 18.725 -8.591 -10.867 216 HE1 MET 27 HE1 MET 27 22.179 -7.401 -12.085 217 HE2 MET 27 HE2 MET 27 20.611 -6.623 -11.885 218 HE3 MET 27 HE3 MET 27 20.701 -8.246 -12.565 219 H ASN 28 HN ASN 28 16.742 -10.638 -7.591 220 HA ASN 28 HA ASN 28 14.409 -9.524 -9.004 221 HB2 ASN 28 HB2 ASN 28 15.431 -12.147 -8.740 222 HB3 ASN 28 HB1 ASN 28 13.917 -12.101 -7.836 223 HD21 ASN 28 HD21 ASN 28 15.211 -10.964 -11.016 224 HD22 ASN 28 HD22 ASN 28 13.786 -11.305 -11.873 225 H THR 29 HN THR 29 15.591 -8.757 -6.282 226 HA THR 29 HA THR 29 13.660 -9.571 -4.326 227 HB THR 29 HB THR 29 16.034 -8.747 -3.878 228 HG1 THR 29 HG1 THR 29 13.940 -7.414 -2.512 229 HG21 THR 29 HG21 THR 29 15.605 -6.691 -5.395 230 HG22 THR 29 HG22 THR 29 16.489 -6.435 -3.892 231 HG23 THR 29 HG23 THR 29 14.781 -6.009 -3.994 232 H GGL 101 HN2 LYX 13 30.294 -20.524 -4.368 233 HA GGL 101 HA2 LYX 13 28.838 -19.868 -2.099 234 HB2 GGL 101 HI2 LYX 13 31.075 -18.610 -1.525 235 HB3 GGL 101 HI1 LYX 13 31.047 -20.366 -1.662 236 HG2 GGL 101 HH2 LYX 13 32.826 -18.863 -2.973 237 HG3 GGL 101 HH1 LYX 13 31.546 -18.843 -4.178 238 H GGL 102 HN3 LYX 13 29.273 -24.260 -2.260 239 HA GGL 102 HA3 LYX 13 29.139 -22.017 -2.854 240 HB2 GGL 102 HJ2 LYX 13 29.162 -23.509 -4.840 241 HB3 GGL 102 HJ1 LYX 13 27.406 -23.468 -4.873 242 HG2 GGL 102 HK2 LYX 13 29.272 -21.652 -6.040 243 HG3 GGL 102 HK1 LYX 13 27.518 -21.627 -6.152 244 H21 PLM 103 H22 LYX 13 27.476 -24.616 0.068 245 H22 PLM 103 H21 LYX 13 26.489 -23.298 -0.557 246 H31 PLM 103 H32 LYX 13 24.612 -24.639 -0.814 247 H32 PLM 103 H31 LYX 13 25.563 -26.110 -1.019 248 H41 PLM 103 H41 LYX 13 25.710 -24.696 1.611 249 H42 PLM 103 H42 LYX 13 24.255 -25.628 1.254 250 H51 PLM 103 H51 LYX 13 27.078 -26.720 1.013 251 H52 PLM 103 H52 LYX 13 25.577 -27.629 0.850 252 H61 PLM 103 H62 LYX 13 26.212 -26.115 3.384 253 H62 PLM 103 H61 LYX 13 25.075 -27.442 3.152 254 H71 PLM 103 H72 LYX 13 28.087 -27.694 2.875 255 H72 PLM 103 H71 LYX 13 26.911 -29.006 2.792 256 H81 PLM 103 H82 LYX 13 26.209 -28.036 5.177 257 H82 PLM 103 H81 LYX 13 27.532 -29.191 5.012 258 H91 PLM 103 H91 LYX 13 28.125 -26.263 4.742 259 H92 PLM 103 H92 LYX 13 29.169 -27.565 5.314 260 HA1 PLM 103 H102 LYX 13 27.778 -27.753 7.364 261 HA2 PLM 103 H101 LYX 13 26.788 -26.407 6.797 262 HB1 PLM 103 H111 LYX 13 29.770 -26.291 7.352 263 HB2 PLM 103 H112 LYX 13 28.779 -24.946 6.788 264 HC1 PLM 103 H122 LYX 13 28.421 -26.440 9.407 265 HC2 PLM 103 H121 LYX 13 27.398 -25.121 8.839 266 HD1 PLM 103 H132 LYX 13 29.982 -24.997 10.160 267 HD2 PLM 103 H131 LYX 13 30.028 -24.154 8.611 268 HE1 PLM 103 H142 LYX 13 28.001 -23.707 10.827 269 HE2 PLM 103 H141 LYX 13 27.986 -22.894 9.261 270 HF1 PLM 103 H151 LYX 13 30.171 -22.732 11.361 271 HF2 PLM 103 H152 LYX 13 30.284 -22.023 9.751 272 HG1 PLM 103 H162 LYX 13 27.847 -21.364 11.326 273 HG2 PLM 103 H163 LYX 13 29.360 -20.647 11.879 274 HG3 PLM 103 H161 LYX 13 28.789 -20.348 10.236 Start of MODEL 6 1 H1 HIS 1 HT1 HIS 1 18.692 -28.448 6.003 2 H2 HIS 1 HT2 HIS 1 20.020 -28.502 7.062 3 H3 HIS 1 HT3 HIS 1 19.742 -29.779 5.976 4 HA HIS 1 HA HIS 1 21.103 -28.781 4.542 5 HB2 HIS 1 HB2 HIS 1 20.243 -26.982 3.261 6 HB3 HIS 1 HB1 HIS 1 18.819 -27.891 3.791 7 HD2 HIS 1 HD2 HIS 1 19.775 -24.324 3.625 8 HE1 HIS 1 HE1 HIS 1 17.520 -24.550 7.183 9 HE2 HIS 1 HE2 HIS 1 18.535 -22.965 5.475 10 H AIB 2 HN AIB 2 22.440 -26.965 4.032 11 HB11 AIB 2 HB11 AIB 2 24.382 -26.619 7.009 12 HB12 AIB 2 HB12 AIB 2 25.393 -25.538 6.039 13 HB13 AIB 2 HB13 AIB 2 24.940 -27.131 5.412 14 HB21 AIB 2 HB21 AIB 2 23.272 -23.738 6.295 15 HB22 AIB 2 HB22 AIB 2 22.862 -25.072 7.372 16 HB23 AIB 2 HB23 AIB 2 21.720 -24.555 6.126 17 H GLN 3 HN GLN 3 21.919 -24.453 3.891 18 HA GLN 3 HA GLN 3 22.749 -24.034 1.507 19 HB2 GLN 3 HB2 GLN 3 22.557 -21.429 2.026 20 HB3 GLN 3 HB1 GLN 3 21.155 -22.491 2.004 21 HG2 GLN 3 HG2 GLN 3 21.353 -22.818 4.419 22 HG3 GLN 3 HG1 GLN 3 22.781 -21.810 4.456 23 HE21 GLN 3 HE21 GLN 3 20.307 -20.803 2.238 24 HE22 GLN 3 HE22 GLN 3 19.671 -19.548 3.189 25 H GLY 4 HN GLY 4 24.307 -22.733 4.178 26 HA2 GLY 4 HA2 GLY 4 26.457 -21.974 4.601 27 HA3 GLY 4 HA1 GLY 4 26.948 -22.771 3.109 28 H THR 5 HN THR 5 24.377 -20.783 2.596 29 HA THR 5 HA THR 5 25.433 -19.028 0.800 30 HB THR 5 HB THR 5 23.092 -19.268 1.094 31 HG1 THR 5 HG1 THR 5 22.818 -17.270 0.561 32 HG21 THR 5 HG21 THR 5 21.947 -18.581 3.117 33 HG22 THR 5 HG22 THR 5 23.476 -18.046 3.806 34 HG23 THR 5 HG23 THR 5 23.195 -19.769 3.507 35 H PHE 6 HN PHE 6 25.874 -19.144 4.027 36 HA PHE 6 HA PHE 6 26.794 -16.384 4.197 37 HB2 PHE 6 HB2 PHE 6 26.526 -16.667 6.602 38 HB3 PHE 6 HB1 PHE 6 25.045 -17.042 5.704 39 HD1 PHE 6 HD2 PHE 6 24.552 -19.424 5.184 40 HD2 PHE 6 HD1 PHE 6 27.499 -18.318 8.057 41 HE1 PHE 6 HE2 PHE 6 24.395 -21.667 6.126 42 HE2 PHE 6 HE1 PHE 6 27.358 -20.588 9.055 43 HZ PHE 6 HZ PHE 6 25.806 -22.274 8.093 44 H THR 7 HN THR 7 27.645 -19.433 5.611 45 HA THR 7 HA THR 7 30.402 -18.634 5.952 46 HB THR 7 HB THR 7 29.272 -19.953 7.674 47 HG1 THR 7 HG1 THR 7 30.961 -21.875 7.153 48 HG21 THR 7 HG21 THR 7 27.897 -21.161 6.036 49 HG22 THR 7 HG22 THR 7 28.613 -22.203 7.256 50 HG23 THR 7 HG23 THR 7 29.292 -22.144 5.627 51 H SER 8 HN SER 8 28.944 -19.383 3.293 52 HA SER 8 HA SER 8 30.352 -21.575 2.229 53 HB2 SER 8 HB2 SER 8 29.840 -20.230 0.001 54 HB3 SER 8 HB1 SER 8 28.560 -21.075 0.876 55 HG SER 8 HG SER 8 27.682 -19.184 1.090 56 H ASP 9 HN ASP 9 31.575 -18.834 3.333 57 HA ASP 9 HA ASP 9 33.628 -18.565 1.251 58 HB2 ASP 9 HB2 ASP 9 32.663 -16.504 1.661 59 HB3 ASP 9 HB1 ASP 9 32.495 -16.811 3.386 60 H TYR 10 HN TYR 10 33.486 -18.304 4.815 61 HA TYR 10 HA TYR 10 36.215 -18.732 5.292 62 HB2 TYR 10 HB2 TYR 10 34.296 -19.839 7.271 63 HB3 TYR 10 HB1 TYR 10 35.645 -18.729 7.513 64 HD1 TYR 10 HD2 TYR 10 35.279 -16.382 6.150 65 HD2 TYR 10 HD1 TYR 10 32.183 -18.958 7.644 66 HE1 TYR 10 HE2 TYR 10 33.694 -14.473 6.165 67 HE2 TYR 10 HE1 TYR 10 30.602 -17.061 7.667 68 HH TYR 10 HH TYR 10 30.300 -14.912 7.180 69 H SER 11 HN SER 11 33.727 -20.751 4.269 70 HA SER 11 HA SER 11 35.221 -23.207 4.903 71 HB2 SER 11 HB2 SER 11 32.842 -23.060 5.625 72 HB3 SER 11 HB1 SER 11 32.372 -22.847 3.943 73 HG SER 11 HG SER 11 33.838 -25.055 4.976 74 H LYS 12 HN LYS 12 33.934 -21.188 2.338 75 HA LYS 12 HA LYS 12 35.517 -22.717 0.420 76 HB2 LYS 12 HB2 LYS 12 33.059 -21.844 -0.828 77 HB3 LYS 12 HB1 LYS 12 33.813 -23.414 -0.841 78 HG2 LYS 12 HG2 LYS 12 32.330 -22.553 1.626 79 HG3 LYS 12 HG1 LYS 12 31.410 -23.016 0.219 80 HD2 LYS 12 HD2 LYS 12 33.248 -25.081 0.395 81 HD3 LYS 12 HD1 LYS 12 32.933 -24.699 2.084 82 HE2 LYS 12 HE2 LYS 12 31.275 -26.284 1.510 83 HE3 LYS 12 HE1 LYS 12 30.442 -24.731 1.436 84 HZ1 LYS 12 HZ1 LYS 12 30.708 -24.678 -0.923 85 HZ2 LYS 12 HZ2 LYS 12 30.036 -26.183 -0.508 86 HZ3 LYS 12 HZ3 LYS 12 31.681 -26.065 -0.904 87 H LYS 13 HN LYX 13 36.912 -20.906 0.692 88 HA LYS 13 HA LYX 13 37.650 -18.720 0.369 89 HB2 LYS 13 HB2 LYX 13 37.389 -18.247 -2.216 90 HB3 LYS 13 HB1 LYX 13 38.465 -19.513 -1.628 91 HG2 LYS 13 HG2 LYX 13 36.830 -21.217 -2.078 92 HG3 LYS 13 HG1 LYX 13 35.597 -20.010 -2.446 93 HD2 LYS 13 HD2 LYX 13 36.758 -19.292 -4.414 94 HD3 LYS 13 HD1 LYX 13 38.173 -20.261 -4.005 95 HE2 LYS 13 HE2 LYX 13 36.997 -21.499 -5.667 96 HE3 LYS 13 HE1 LYX 13 36.643 -22.297 -4.140 97 HZ1 LYS 13 HZ1 LYX 13 34.763 -20.305 -5.245 98 H LEU 14 HN LEU 14 35.518 -18.224 -2.284 99 HA LEU 14 HA LEU 14 34.251 -16.040 -0.796 100 HB2 LEU 14 HB2 LEU 14 35.567 -15.394 -2.782 101 HB3 LEU 14 HB1 LEU 14 34.547 -16.422 -3.783 102 HG LEU 14 HG LEU 14 32.575 -15.062 -3.176 103 HD11 LEU 14 HD11 LEU 14 32.874 -14.108 -1.090 104 HD12 LEU 14 HD12 LEU 14 33.365 -12.745 -2.094 105 HD13 LEU 14 HD13 LEU 14 34.586 -13.790 -1.368 106 HD21 LEU 14 HD21 LEU 14 33.150 -13.912 -5.019 107 HD22 LEU 14 HD22 LEU 14 34.862 -14.190 -4.695 108 HD23 LEU 14 HD23 LEU 14 34.049 -12.791 -3.994 109 H ASP 15 HN ASP 15 31.994 -15.627 -1.094 110 HA ASP 15 HA ASP 15 30.451 -18.047 -1.789 111 HB2 ASP 15 HB2 ASP 15 28.729 -17.160 -0.282 112 HB3 ASP 15 HB1 ASP 15 30.270 -17.338 0.557 113 H AIB 16 HN AIB 16 30.264 -14.490 -1.851 114 HB11 AIB 16 HB11 AIB 16 27.255 -14.776 -4.484 115 HB12 AIB 16 HB12 AIB 16 27.000 -13.475 -3.320 116 HB13 AIB 16 HB13 AIB 16 27.345 -15.108 -2.752 117 HB21 AIB 16 HB21 AIB 16 28.406 -12.020 -3.517 118 HB22 AIB 16 HB22 AIB 16 30.156 -12.223 -3.595 119 HB23 AIB 16 HB23 AIB 16 29.302 -12.511 -2.079 120 H ARG 17 HN ARG 17 30.704 -15.856 -4.392 121 HA ARG 17 HA ARG 17 31.489 -14.670 -6.827 122 HB2 ARG 17 HB2 ARG 17 31.970 -17.187 -7.434 123 HB3 ARG 17 HB1 ARG 17 32.929 -16.385 -6.192 124 HG2 ARG 17 HG2 ARG 17 31.774 -17.448 -4.440 125 HG3 ARG 17 HG1 ARG 17 30.409 -17.865 -5.475 126 HD2 ARG 17 HD2 ARG 17 31.457 -19.702 -6.350 127 HD3 ARG 17 HD1 ARG 17 33.046 -18.944 -6.301 128 HE ARG 17 HE ARG 17 33.367 -20.036 -4.301 129 HH11 ARG 17 HH21 ARG 17 29.989 -19.458 -4.799 130 HH12 ARG 17 HH22 ARG 17 29.501 -20.239 -3.333 131 HH21 ARG 17 HH11 ARG 17 32.731 -21.045 -2.384 132 HH22 ARG 17 HH12 ARG 17 31.056 -21.134 -1.964 133 H ARG 18 HN ARG 18 28.956 -16.954 -5.970 134 HA ARG 18 HA ARG 18 27.458 -16.158 -8.308 135 HB2 ARG 18 HB2 ARG 18 26.952 -18.790 -8.510 136 HB3 ARG 18 HB1 ARG 18 28.188 -17.972 -9.434 137 HG2 ARG 18 HG2 ARG 18 29.182 -19.950 -8.539 138 HG3 ARG 18 HG1 ARG 18 29.846 -18.598 -7.635 139 HD2 ARG 18 HD2 ARG 18 29.235 -20.411 -6.108 140 HD3 ARG 18 HD1 ARG 18 28.185 -19.024 -5.829 141 HE ARG 18 HE ARG 18 27.062 -20.878 -7.717 142 HH11 ARG 18 HH21 ARG 18 27.615 -20.214 -4.366 143 HH12 ARG 18 HH22 ARG 18 26.252 -21.132 -3.818 144 HH21 ARG 18 HH11 ARG 18 25.273 -22.083 -7.005 145 HH22 ARG 18 HH12 ARG 18 24.927 -22.189 -5.311 146 H ALA 19 HN ALA 19 26.385 -19.073 -6.876 147 HA ALA 19 HA ALA 19 24.472 -19.494 -5.657 148 HB1 ALA 19 HB1 ALA 19 26.375 -18.082 -4.056 149 HB2 ALA 19 HB2 ALA 19 25.176 -19.270 -3.545 150 HB3 ALA 19 HB3 ALA 19 24.755 -17.558 -3.594 151 H GLN 20 HN GLN 20 24.645 -16.979 -7.537 152 HA GLN 20 HA GLN 20 21.899 -16.217 -7.224 153 HB2 GLN 20 HB2 GLN 20 23.943 -14.636 -5.895 154 HB3 GLN 20 HB1 GLN 20 23.160 -13.692 -7.169 155 HG2 GLN 20 HG2 GLN 20 21.641 -15.273 -5.079 156 HG3 GLN 20 HG1 GLN 20 22.004 -13.555 -4.933 157 HE21 GLN 20 HE21 GLN 20 20.834 -12.065 -6.301 158 HE22 GLN 20 HE22 GLN 20 19.512 -12.560 -7.245 159 H ASP 21 HN ASP 21 24.613 -16.825 -8.823 160 HA ASP 21 HA ASP 21 23.710 -15.502 -11.298 161 HB2 ASP 21 HB2 ASP 21 26.120 -15.014 -9.843 162 HB3 ASP 21 HB1 ASP 21 26.539 -15.831 -11.351 163 H PHE 22 HN PHE 22 24.848 -18.213 -9.565 164 HA PHE 22 HA PHE 22 26.026 -19.877 -11.390 165 HB2 PHE 22 HB2 PHE 22 25.415 -21.639 -10.011 166 HB3 PHE 22 HB1 PHE 22 25.195 -20.279 -8.908 167 HD1 PHE 22 HD1 PHE 22 23.495 -22.730 -11.063 168 HD2 PHE 22 HD2 PHE 22 22.980 -19.478 -8.308 169 HE1 PHE 22 HE1 PHE 22 21.088 -23.265 -10.887 170 HE2 PHE 22 HE2 PHE 22 20.568 -20.010 -8.123 171 HZ PHE 22 HZ PHE 22 19.615 -21.909 -9.412 172 H VAL 23 HN VAL 23 22.638 -18.956 -11.105 173 HA VAL 23 HA VAL 23 21.353 -20.740 -12.750 174 HB VAL 23 HB VAL 23 20.498 -18.064 -13.429 175 HG11 VAL 23 HG11 VAL 23 19.312 -20.145 -11.569 176 HG12 VAL 23 HG12 VAL 23 19.118 -20.147 -13.321 177 HG13 VAL 23 HG13 VAL 23 18.445 -18.829 -12.362 178 HG21 VAL 23 HG21 VAL 23 21.756 -17.390 -11.425 179 HG22 VAL 23 HG22 VAL 23 20.960 -18.654 -10.487 180 HG23 VAL 23 HG23 VAL 23 20.021 -17.300 -11.115 181 H GLN 24 HN GLN 24 23.456 -18.069 -13.650 182 HA GLN 24 HA GLN 24 22.972 -18.303 -16.473 183 HB2 GLN 24 HB2 GLN 24 25.283 -16.991 -15.013 184 HB3 GLN 24 HB1 GLN 24 24.834 -16.740 -16.707 185 HG2 GLN 24 HG2 GLN 24 22.496 -16.321 -15.135 186 HG3 GLN 24 HG1 GLN 24 23.807 -15.418 -14.379 187 HE21 GLN 24 HE21 GLN 24 23.630 -13.296 -15.131 188 HE22 GLN 24 HE22 GLN 24 23.414 -12.864 -16.758 189 H TRP 25 HN TRP 25 25.102 -19.751 -14.138 190 HA TRP 25 HA TRP 25 27.276 -20.655 -15.464 191 HB2 TRP 25 HB2 TRP 25 26.549 -21.321 -13.133 192 HB3 TRP 25 HB1 TRP 25 25.536 -22.557 -13.880 193 HD1 TRP 25 HD1 TRP 25 29.239 -21.425 -13.938 194 HE1 TRP 25 HE1 TRP 25 30.712 -23.522 -14.216 195 HE3 TRP 25 HE3 TRP 25 25.617 -24.999 -14.380 196 HZ2 TRP 25 HZ2 TRP 25 30.398 -26.342 -14.577 197 HZ3 TRP 25 HZ3 TRP 25 26.232 -27.380 -14.690 198 HH2 TRP 25 HH2 TRP 25 28.616 -28.055 -14.788 199 H LEU 26 HN LEU 26 24.476 -22.842 -15.338 200 HA LEU 26 HA LEU 26 25.301 -24.132 -17.779 201 HB2 LEU 26 HB2 LEU 26 22.989 -25.314 -17.400 202 HB3 LEU 26 HB1 LEU 26 24.333 -25.655 -16.319 203 HG LEU 26 HG LEU 26 23.469 -24.113 -14.657 204 HD11 LEU 26 HD11 LEU 26 22.563 -22.337 -15.970 205 HD12 LEU 26 HD12 LEU 26 21.190 -23.045 -15.124 206 HD13 LEU 26 HD13 LEU 26 21.470 -23.429 -16.821 207 HD21 LEU 26 HD21 LEU 26 22.500 -26.433 -14.819 208 HD22 LEU 26 HD22 LEU 26 21.157 -25.748 -15.734 209 HD23 LEU 26 HD23 LEU 26 21.424 -25.259 -14.061 210 H MET 27 HN MET 27 24.647 -21.307 -17.986 211 HA MET 27 HA MET 27 22.545 -21.511 -20.048 212 HB2 MET 27 HB2 MET 27 22.197 -20.198 -17.620 213 HB3 MET 27 HB1 MET 27 22.610 -18.907 -18.748 214 HG2 MET 27 HG2 MET 27 20.215 -19.195 -18.826 215 HG3 MET 27 HG1 MET 27 20.878 -19.843 -20.327 216 HE1 MET 27 HE1 MET 27 18.648 -20.613 -20.540 217 HE2 MET 27 HE2 MET 27 17.792 -20.902 -19.027 218 HE3 MET 27 HE3 MET 27 18.132 -22.249 -20.110 219 H ASN 28 HN ASN 28 25.467 -20.020 -18.842 220 HA ASN 28 HA ASN 28 25.807 -18.578 -21.397 221 HB2 ASN 28 HB2 ASN 28 26.880 -18.148 -18.627 222 HB3 ASN 28 HB1 ASN 28 27.743 -17.502 -20.022 223 HD21 ASN 28 HD21 ASN 28 27.078 -15.350 -18.931 224 HD22 ASN 28 HD22 ASN 28 25.552 -14.720 -19.330 225 H THR 29 HN THR 29 26.484 -21.489 -20.212 226 HA THR 29 HA THR 29 29.305 -21.611 -20.969 227 HB THR 29 HB THR 29 28.278 -22.848 -18.968 228 HG1 THR 29 HG1 THR 29 29.491 -24.698 -20.651 229 HG21 THR 29 HG21 THR 29 27.519 -24.924 -21.000 230 HG22 THR 29 HG22 THR 29 26.363 -23.664 -20.565 231 HG23 THR 29 HG23 THR 29 26.985 -24.756 -19.328 232 H GGL 101 HN2 LYX 13 32.522 -23.448 -4.437 233 HA GGL 101 HA2 LYX 13 33.922 -25.948 -4.406 234 HB2 GGL 101 HI2 LYX 13 35.133 -24.494 -2.455 235 HB3 GGL 101 HI1 LYX 13 35.470 -24.297 -4.172 236 HG2 GGL 101 HH2 LYX 13 34.832 -22.195 -2.690 237 HG3 GGL 101 HH1 LYX 13 33.195 -22.774 -2.951 238 H GGL 102 HN3 LYX 13 30.175 -26.061 -2.463 239 HA GGL 102 HA3 LYX 13 30.903 -23.864 -2.755 240 HB2 GGL 102 HJ2 LYX 13 28.421 -24.227 -4.411 241 HB3 GGL 102 HJ1 LYX 13 29.137 -22.631 -4.292 242 HG2 GGL 102 HK2 LYX 13 29.828 -24.463 -6.178 243 HG3 GGL 102 HK1 LYX 13 30.847 -23.143 -5.645 244 H21 PLM 103 H22 LYX 13 28.381 -26.881 -0.327 245 H22 PLM 103 H21 LYX 13 28.474 -25.146 -0.041 246 H31 PLM 103 H32 LYX 13 25.997 -25.195 -1.006 247 H32 PLM 103 H31 LYX 13 26.058 -26.875 -0.484 248 H41 PLM 103 H41 LYX 13 26.724 -24.525 1.322 249 H42 PLM 103 H42 LYX 13 25.137 -25.285 1.250 250 H51 PLM 103 H51 LYX 13 27.096 -27.354 1.552 251 H52 PLM 103 H52 LYX 13 25.822 -26.882 2.672 252 H61 PLM 103 H62 LYX 13 28.608 -25.704 2.494 253 H62 PLM 103 H61 LYX 13 27.326 -25.052 3.511 254 H71 PLM 103 H72 LYX 13 28.511 -27.839 3.679 255 H72 PLM 103 H71 LYX 13 27.149 -27.270 4.642 256 H81 PLM 103 H82 LYX 13 30.021 -26.340 4.717 257 H82 PLM 103 H81 LYX 13 28.720 -25.343 5.365 258 H91 PLM 103 H91 LYX 13 29.404 -28.174 6.216 259 H92 PLM 103 H92 LYX 13 28.026 -27.250 6.816 260 HA1 PLM 103 H102 LYX 13 30.658 -25.884 6.960 261 HA2 PLM 103 H101 LYX 13 30.450 -27.264 8.038 262 HB1 PLM 103 H111 LYX 13 28.468 -24.980 7.818 263 HB2 PLM 103 H112 LYX 13 28.449 -26.290 9.000 264 HC1 PLM 103 H122 LYX 13 30.733 -24.315 8.726 265 HC2 PLM 103 H121 LYX 13 30.495 -25.499 10.012 266 HD1 PLM 103 H132 LYX 13 28.718 -23.114 9.413 267 HD2 PLM 103 H131 LYX 13 28.379 -24.334 10.640 268 HE1 PLM 103 H142 LYX 13 31.060 -23.016 10.697 269 HE2 PLM 103 H141 LYX 13 30.072 -23.602 12.033 270 HF1 PLM 103 H151 LYX 13 28.434 -21.672 11.241 271 HF2 PLM 103 H152 LYX 13 29.805 -21.308 12.290 272 HG1 PLM 103 H162 LYX 13 29.375 -19.928 10.045 273 HG2 PLM 103 H163 LYX 13 31.009 -20.297 10.594 274 HG3 PLM 103 H161 LYX 13 30.261 -21.278 9.336 Start of MODEL 7 1 H1 HIS 1 HT1 HIS 1 24.271 -31.319 7.159 2 H2 HIS 1 HT2 HIS 1 22.710 -30.660 7.302 3 H3 HIS 1 HT3 HIS 1 24.011 -29.967 8.148 4 HA HIS 1 HA HIS 1 24.588 -30.052 5.372 5 HB2 HIS 1 HB2 HIS 1 22.903 -28.619 4.516 6 HB3 HIS 1 HB1 HIS 1 22.031 -29.924 5.337 7 HD2 HIS 1 HD2 HIS 1 21.798 -26.230 5.209 8 HE1 HIS 1 HE1 HIS 1 20.757 -27.135 9.198 9 HE2 HIS 1 HE2 HIS 1 20.752 -25.318 7.419 10 H AIB 2 HN AIB 2 25.120 -27.918 4.653 11 HB11 AIB 2 HB11 AIB 2 27.633 -26.982 6.991 12 HB12 AIB 2 HB12 AIB 2 27.954 -25.626 5.900 13 HB13 AIB 2 HB13 AIB 2 27.843 -27.272 5.261 14 HB21 AIB 2 HB21 AIB 2 25.897 -25.949 7.888 15 HB22 AIB 2 HB22 AIB 2 24.345 -25.824 7.052 16 HB23 AIB 2 HB23 AIB 2 25.562 -24.565 6.847 17 H GLN 3 HN GLN 3 23.854 -25.697 4.850 18 HA GLN 3 HA GLN 3 23.818 -25.043 2.378 19 HB2 GLN 3 HB2 GLN 3 22.986 -22.640 3.147 20 HB3 GLN 3 HB1 GLN 3 22.036 -24.091 3.433 21 HG2 GLN 3 HG2 GLN 3 23.025 -24.305 5.661 22 HG3 GLN 3 HG1 GLN 3 24.001 -22.882 5.375 23 HE21 GLN 3 HE21 GLN 3 20.686 -23.058 4.190 24 HE22 GLN 3 HE22 GLN 3 20.034 -21.952 5.303 25 H GLY 4 HN GLY 4 25.587 -23.316 4.646 26 HA2 GLY 4 HA2 GLY 4 27.444 -21.922 4.540 27 HA3 GLY 4 HA1 GLY 4 27.699 -22.531 2.908 28 H THR 5 HN THR 5 24.606 -21.442 3.241 29 HA THR 5 HA THR 5 24.604 -19.441 1.403 30 HB THR 5 HB THR 5 22.554 -20.253 2.193 31 HG1 THR 5 HG1 THR 5 23.133 -17.665 2.316 32 HG21 THR 5 HG21 THR 5 23.123 -19.146 4.911 33 HG22 THR 5 HG22 THR 5 23.474 -20.830 4.485 34 HG23 THR 5 HG23 THR 5 21.819 -20.226 4.439 35 H PHE 6 HN PHE 6 25.867 -19.477 4.425 36 HA PHE 6 HA PHE 6 26.311 -16.587 4.406 37 HB2 PHE 6 HB2 PHE 6 26.377 -16.677 6.804 38 HB3 PHE 6 HB1 PHE 6 24.879 -17.394 6.193 39 HD1 PHE 6 HD1 PHE 6 24.933 -19.948 5.863 40 HD2 PHE 6 HD2 PHE 6 27.656 -17.865 8.387 41 HE1 PHE 6 HE1 PHE 6 25.279 -22.017 7.096 42 HE2 PHE 6 HE2 PHE 6 28.046 -19.955 9.671 43 HZ PHE 6 HZ PHE 6 26.854 -22.044 9.036 44 H THR 7 HN THR 7 27.738 -19.409 5.832 45 HA THR 7 HA THR 7 30.378 -18.267 5.744 46 HB THR 7 HB THR 7 29.767 -19.623 7.642 47 HG1 THR 7 HG1 THR 7 31.935 -19.858 6.259 48 HG21 THR 7 HG21 THR 7 28.197 -21.016 6.432 49 HG22 THR 7 HG22 THR 7 29.319 -21.986 7.373 50 HG23 THR 7 HG23 THR 7 29.521 -21.834 5.626 51 H SER 8 HN SER 8 28.725 -19.395 3.282 52 HA SER 8 HA SER 8 30.270 -21.419 2.147 53 HB2 SER 8 HB2 SER 8 28.583 -19.266 0.924 54 HB3 SER 8 HB1 SER 8 29.550 -20.324 -0.100 55 HG SER 8 HG SER 8 28.385 -22.034 0.534 56 H ASP 9 HN ASP 9 31.208 -18.446 3.010 57 HA ASP 9 HA ASP 9 33.183 -18.073 0.900 58 HB2 ASP 9 HB2 ASP 9 32.045 -16.127 1.637 59 HB3 ASP 9 HB1 ASP 9 32.341 -16.514 3.329 60 H TYR 10 HN TYR 10 33.258 -18.039 4.450 61 HA TYR 10 HA TYR 10 36.045 -18.652 4.610 62 HB2 TYR 10 HB2 TYR 10 34.423 -19.253 6.976 63 HB3 TYR 10 HB1 TYR 10 35.767 -18.123 6.794 64 HD1 TYR 10 HD2 TYR 10 35.206 -16.001 5.266 65 HD2 TYR 10 HD1 TYR 10 32.301 -18.378 7.348 66 HE1 TYR 10 HE2 TYR 10 33.593 -14.120 5.161 67 HE2 TYR 10 HE1 TYR 10 30.688 -16.515 7.254 68 HH TYR 10 HH TYR 10 30.697 -14.087 7.006 69 H SER 11 HN SER 11 33.379 -20.467 3.847 70 HA SER 11 HA SER 11 34.435 -22.953 5.007 71 HB2 SER 11 HB2 SER 11 32.013 -22.356 5.290 72 HB3 SER 11 HB1 SER 11 31.828 -22.501 3.545 73 HG SER 11 HG SER 11 31.761 -24.579 3.795 74 H LYS 12 HN LYS 12 33.794 -21.317 1.959 75 HA LYS 12 HA LYS 12 34.888 -23.650 0.509 76 HB2 LYS 12 HB2 LYS 12 33.453 -21.349 -0.793 77 HB3 LYS 12 HB1 LYS 12 33.744 -22.962 -1.423 78 HG2 LYS 12 HG2 LYS 12 32.011 -22.478 1.003 79 HG3 LYS 12 HG1 LYS 12 31.375 -22.418 -0.639 80 HD2 LYS 12 HD2 LYS 12 32.599 -24.774 -0.845 81 HD3 LYS 12 HD1 LYS 12 32.424 -24.769 0.907 82 HE2 LYS 12 HE2 LYS 12 30.402 -25.698 0.390 83 HE3 LYS 12 HE1 LYS 12 29.930 -24.010 0.193 84 HZ1 LYS 12 HZ1 LYS 12 29.291 -25.234 -1.744 85 HZ2 LYS 12 HZ2 LYS 12 30.857 -25.858 -1.937 86 HZ3 LYS 12 HZ3 LYS 12 30.566 -24.198 -2.169 87 H LYS 13 HN LYX 13 34.730 -20.180 -0.274 88 HA LYS 13 HA LYX 13 37.653 -19.991 -0.352 89 HB2 LYS 13 HB2 LYX 13 35.938 -19.367 -2.780 90 HB3 LYS 13 HB1 LYX 13 37.664 -19.084 -2.628 91 HG2 LYS 13 HG2 LYX 13 37.558 -21.115 -3.820 92 HG3 LYS 13 HG1 LYX 13 37.849 -21.634 -2.162 93 HD2 LYS 13 HD2 LYX 13 35.985 -22.895 -2.287 94 HD3 LYS 13 HD1 LYX 13 35.066 -21.411 -2.397 95 HE2 LYS 13 HE2 LYX 13 36.263 -22.702 -4.838 96 HE3 LYS 13 HE1 LYX 13 34.669 -23.135 -4.225 97 HZ1 LYS 13 HZ1 LYX 13 35.318 -20.347 -4.964 98 H LEU 14 HN LEU 14 35.142 -18.090 -1.944 99 HA LEU 14 HA LEU 14 35.343 -16.016 0.056 100 HB2 LEU 14 HB2 LEU 14 36.492 -14.494 -1.175 101 HB3 LEU 14 HB1 LEU 14 37.087 -15.925 -1.998 102 HG LEU 14 HG LEU 14 34.954 -15.624 -3.519 103 HD11 LEU 14 HD11 LEU 14 35.347 -12.728 -3.168 104 HD12 LEU 14 HD12 LEU 14 34.550 -13.489 -1.793 105 HD13 LEU 14 HD13 LEU 14 33.861 -13.636 -3.402 106 HD21 LEU 14 HD21 LEU 14 36.283 -14.110 -4.984 107 HD22 LEU 14 HD22 LEU 14 37.245 -15.436 -4.328 108 HD23 LEU 14 HD23 LEU 14 37.388 -13.819 -3.639 109 H ASP 15 HN ASP 15 33.563 -14.511 0.003 110 HA ASP 15 HA ASP 15 31.148 -15.616 -1.098 111 HB2 ASP 15 HB2 ASP 15 30.380 -13.164 -0.270 112 HB3 ASP 15 HB1 ASP 15 30.562 -14.539 0.815 113 H AIB 16 HN AIB 16 32.168 -12.250 -1.366 114 HB11 AIB 16 HB11 AIB 16 29.790 -10.885 -3.085 115 HB12 AIB 16 HB12 AIB 16 30.964 -9.695 -3.650 116 HB13 AIB 16 HB13 AIB 16 30.993 -10.232 -1.970 117 HB21 AIB 16 HB21 AIB 16 33.022 -10.000 -3.899 118 HB22 AIB 16 HB22 AIB 16 33.642 -11.562 -4.428 119 HB23 AIB 16 HB23 AIB 16 33.746 -11.099 -2.729 120 H ARG 17 HN ARG 17 32.888 -13.493 -4.810 121 HA ARG 17 HA ARG 17 31.960 -13.280 -7.307 122 HB2 ARG 17 HB2 ARG 17 31.555 -16.045 -6.540 123 HB3 ARG 17 HB1 ARG 17 32.784 -15.345 -7.589 124 HG2 ARG 17 HG2 ARG 17 34.099 -14.695 -5.605 125 HG3 ARG 17 HG1 ARG 17 32.873 -15.414 -4.564 126 HD2 ARG 17 HD2 ARG 17 35.087 -16.714 -5.758 127 HD3 ARG 17 HD1 ARG 17 33.791 -17.450 -4.816 128 HE ARG 17 HE ARG 17 32.656 -17.277 -7.249 129 HH11 ARG 17 HH21 ARG 17 35.781 -18.327 -6.193 130 HH12 ARG 17 HH22 ARG 17 35.979 -19.475 -7.475 131 HH21 ARG 17 HH11 ARG 17 32.910 -18.780 -8.931 132 HH22 ARG 17 HH12 ARG 17 34.354 -19.731 -9.024 133 H ARG 18 HN ARG 18 30.105 -14.534 -4.596 134 HA ARG 18 HA ARG 18 27.646 -14.225 -6.198 135 HB2 ARG 18 HB2 ARG 18 28.174 -16.387 -4.154 136 HB3 ARG 18 HB1 ARG 18 26.676 -16.142 -5.051 137 HG2 ARG 18 HG2 ARG 18 27.626 -16.815 -7.086 138 HG3 ARG 18 HG1 ARG 18 29.270 -16.508 -6.538 139 HD2 ARG 18 HD2 ARG 18 28.981 -18.888 -6.581 140 HD3 ARG 18 HD1 ARG 18 28.964 -18.409 -4.890 141 HE ARG 18 HE ARG 18 26.673 -18.907 -4.806 142 HH11 ARG 18 HH21 ARG 18 27.932 -19.086 -8.027 143 HH12 ARG 18 HH22 ARG 18 26.538 -19.885 -8.672 144 HH21 ARG 18 HH11 ARG 18 24.843 -19.951 -5.650 145 HH22 ARG 18 HH12 ARG 18 24.790 -20.374 -7.329 146 H ALA 19 HN ALA 19 26.800 -15.439 -3.299 147 HA ALA 19 HA ALA 19 25.628 -14.469 -1.556 148 HB1 ALA 19 HB1 ALA 19 27.720 -12.448 -1.087 149 HB2 ALA 19 HB2 ALA 19 28.319 -14.102 -1.221 150 HB3 ALA 19 HB3 ALA 19 27.100 -13.701 -0.011 151 H GLN 20 HN GLN 20 25.603 -13.166 -4.343 152 HA GLN 20 HA GLN 20 23.806 -11.047 -3.709 153 HB2 GLN 20 HB2 GLN 20 26.434 -10.255 -3.464 154 HB3 GLN 20 HB1 GLN 20 26.074 -9.830 -5.138 155 HG2 GLN 20 HG2 GLN 20 24.050 -8.616 -4.388 156 HG3 GLN 20 HG1 GLN 20 24.440 -9.016 -2.717 157 HE21 GLN 20 HE21 GLN 20 27.175 -8.402 -4.768 158 HE22 GLN 20 HE22 GLN 20 27.508 -6.838 -4.199 159 H ASP 21 HN ASP 21 23.989 -13.421 -5.312 160 HA ASP 21 HA ASP 21 22.918 -12.444 -7.776 161 HB2 ASP 21 HB2 ASP 21 25.763 -13.020 -7.592 162 HB3 ASP 21 HB1 ASP 21 24.967 -14.025 -8.805 163 H PHE 22 HN PHE 22 24.437 -15.109 -6.062 164 HA PHE 22 HA PHE 22 24.129 -17.391 -6.223 165 HB2 PHE 22 HB2 PHE 22 21.646 -17.910 -5.611 166 HB3 PHE 22 HB1 PHE 22 22.684 -17.096 -4.455 167 HD1 PHE 22 HD1 PHE 22 22.694 -14.446 -4.614 168 HD2 PHE 22 HD2 PHE 22 19.561 -16.991 -6.080 169 HE1 PHE 22 HE1 PHE 22 21.098 -12.550 -4.500 170 HE2 PHE 22 HE2 PHE 22 17.970 -15.101 -5.972 171 HZ PHE 22 HZ PHE 22 18.736 -12.877 -5.182 172 H VAL 23 HN VAL 23 20.882 -16.737 -7.410 173 HA VAL 23 HA VAL 23 21.553 -18.313 -9.804 174 HB VAL 23 HB VAL 23 19.242 -18.906 -9.945 175 HG11 VAL 23 HG11 VAL 23 19.228 -19.094 -7.049 176 HG12 VAL 23 HG12 VAL 23 20.828 -19.464 -7.693 177 HG13 VAL 23 HG13 VAL 23 19.423 -20.375 -8.245 178 HG21 VAL 23 HG21 VAL 23 18.944 -16.487 -8.270 179 HG22 VAL 23 HG22 VAL 23 17.878 -17.823 -7.839 180 HG23 VAL 23 HG23 VAL 23 17.847 -17.163 -9.474 181 H GLN 24 HN GLN 24 22.358 -15.650 -9.811 182 HA GLN 24 HA GLN 24 22.088 -13.637 -10.924 183 HB2 GLN 24 HB2 GLN 24 20.994 -15.557 -12.998 184 HB3 GLN 24 HB1 GLN 24 21.639 -13.938 -13.310 185 HG2 GLN 24 HG2 GLN 24 23.726 -14.765 -13.394 186 HG3 GLN 24 HG1 GLN 24 23.556 -15.400 -11.758 187 HE21 GLN 24 HE21 GLN 24 23.723 -16.278 -15.103 188 HE22 GLN 24 HE22 GLN 24 23.407 -17.933 -14.901 189 H TRP 25 HN TRP 25 19.740 -14.644 -9.299 190 HA TRP 25 HA TRP 25 17.284 -14.205 -10.525 191 HB2 TRP 25 HB2 TRP 25 17.220 -14.922 -8.268 192 HB3 TRP 25 HB1 TRP 25 18.227 -13.577 -7.732 193 HD1 TRP 25 HD1 TRP 25 14.671 -14.381 -8.900 194 HE1 TRP 25 HE1 TRP 25 13.119 -12.441 -8.205 195 HE3 TRP 25 HE3 TRP 25 18.125 -11.087 -7.118 196 HZ2 TRP 25 HZ2 TRP 25 13.326 -9.827 -7.047 197 HZ3 TRP 25 HZ3 TRP 25 17.442 -8.883 -6.236 198 HH2 TRP 25 HH2 TRP 25 15.040 -8.247 -6.191 199 H LEU 26 HN LEU 26 19.230 -11.776 -8.808 200 HA LEU 26 HA LEU 26 17.828 -9.492 -9.215 201 HB2 LEU 26 HB2 LEU 26 20.502 -8.833 -9.925 202 HB3 LEU 26 HB1 LEU 26 19.702 -8.617 -8.370 203 HG LEU 26 HG LEU 26 20.324 -10.932 -7.737 204 HD11 LEU 26 HD11 LEU 26 22.356 -11.364 -9.744 205 HD12 LEU 26 HD12 LEU 26 20.781 -11.236 -10.515 206 HD13 LEU 26 HD13 LEU 26 21.046 -12.437 -9.248 207 HD21 LEU 26 HD21 LEU 26 22.983 -10.163 -8.403 208 HD22 LEU 26 HD22 LEU 26 22.142 -9.964 -6.866 209 HD23 LEU 26 HD23 LEU 26 22.057 -8.696 -8.090 210 H MET 27 HN MET 27 19.355 -11.426 -11.655 211 HA MET 27 HA MET 27 18.906 -9.344 -13.688 212 HB2 MET 27 HB2 MET 27 20.652 -11.752 -13.497 213 HB3 MET 27 HB1 MET 27 20.075 -11.282 -15.096 214 HG2 MET 27 HG2 MET 27 21.159 -9.213 -15.026 215 HG3 MET 27 HG1 MET 27 21.230 -9.200 -13.263 216 HE1 MET 27 HE1 MET 27 24.059 -8.638 -15.179 217 HE2 MET 27 HE2 MET 27 24.863 -9.154 -13.698 218 HE3 MET 27 HE3 MET 27 23.352 -8.253 -13.604 219 H ASN 28 HN ASN 28 18.424 -12.869 -13.344 220 HA ASN 28 HA ASN 28 16.740 -13.319 -15.467 221 HB2 ASN 28 HB2 ASN 28 17.286 -14.623 -12.912 222 HB3 ASN 28 HB1 ASN 28 15.638 -14.894 -13.474 223 HD21 ASN 28 HD21 ASN 28 15.607 -16.867 -14.562 224 HD22 ASN 28 HD22 ASN 28 16.776 -17.373 -15.683 225 H THR 29 HN THR 29 16.140 -11.366 -12.742 226 HA THR 29 HA THR 29 13.567 -10.580 -13.721 227 HB THR 29 HB THR 29 13.668 -12.131 -11.123 228 HG1 THR 29 HG1 THR 29 12.931 -13.714 -12.273 229 HG21 THR 29 HG21 THR 29 11.500 -10.516 -12.476 230 HG22 THR 29 HG22 THR 29 12.137 -10.317 -10.843 231 HG23 THR 29 HG23 THR 29 11.156 -11.728 -11.241 232 H GGL 101 HN2 LYX 13 30.635 -22.198 -3.316 233 HA GGL 101 HA2 LYX 13 31.357 -20.312 -1.655 234 HB2 GGL 101 HI2 LYX 13 33.364 -19.881 -3.016 235 HB3 GGL 101 HI1 LYX 13 32.916 -21.588 -3.058 236 HG2 GGL 101 HH2 LYX 13 32.503 -19.514 -5.171 237 HG3 GGL 101 HH1 LYX 13 31.550 -21.000 -5.115 238 H GGL 102 HN3 LYX 13 28.181 -25.454 -3.260 239 HA GGL 102 HA3 LYX 13 29.133 -23.216 -2.604 240 HB2 GGL 102 HJ2 LYX 13 28.538 -23.881 -4.973 241 HB3 GGL 102 HJ1 LYX 13 26.976 -23.114 -4.728 242 HG2 GGL 102 HK2 LYX 13 29.467 -21.919 -5.486 243 HG3 GGL 102 HK1 LYX 13 27.887 -21.167 -5.364 244 H21 PLM 103 H22 LYX 13 26.832 -27.055 -2.417 245 H22 PLM 103 H21 LYX 13 26.849 -27.049 -0.655 246 H31 PLM 103 H32 LYX 13 24.690 -25.807 -2.390 247 H32 PLM 103 H31 LYX 13 24.554 -27.345 -1.541 248 H41 PLM 103 H41 LYX 13 24.887 -26.172 0.623 249 H42 PLM 103 H42 LYX 13 24.997 -24.641 -0.244 250 H51 PLM 103 H51 LYX 13 22.639 -26.041 0.610 251 H52 PLM 103 H52 LYX 13 22.634 -25.930 -1.150 252 H61 PLM 103 H62 LYX 13 23.147 -23.570 0.686 253 H62 PLM 103 H61 LYX 13 22.908 -23.524 -1.060 254 H71 PLM 103 H72 LYX 13 20.832 -24.539 0.903 255 H72 PLM 103 H71 LYX 13 20.610 -24.258 -0.823 256 H81 PLM 103 H82 LYX 13 21.401 -22.068 1.114 257 H82 PLM 103 H81 LYX 13 20.858 -21.883 -0.553 258 H91 PLM 103 H91 LYX 13 19.159 -23.076 1.657 259 H92 PLM 103 H92 LYX 13 18.637 -22.666 0.023 260 HA1 PLM 103 H102 LYX 13 17.966 -20.720 1.024 261 HA2 PLM 103 H101 LYX 13 19.659 -20.276 0.808 262 HB1 PLM 103 H111 LYX 13 18.442 -21.526 3.291 263 HB2 PLM 103 H112 LYX 13 20.155 -21.163 3.078 264 HC1 PLM 103 H122 LYX 13 17.901 -19.133 2.982 265 HC2 PLM 103 H121 LYX 13 19.616 -18.774 2.780 266 HD1 PLM 103 H132 LYX 13 18.082 -19.285 5.238 267 HD2 PLM 103 H131 LYX 13 19.581 -20.207 5.142 268 HE1 PLM 103 H142 LYX 13 19.322 -17.203 4.798 269 HE2 PLM 103 H141 LYX 13 20.825 -18.116 4.667 270 HF1 PLM 103 H151 LYX 13 19.901 -16.985 6.988 271 HF2 PLM 103 H152 LYX 13 19.299 -18.637 7.138 272 HG1 PLM 103 H162 LYX 13 21.545 -18.484 8.106 273 HG2 PLM 103 H163 LYX 13 21.590 -19.484 6.656 274 HG3 PLM 103 H161 LYX 13 22.172 -17.821 6.597 Start of MODEL 8 1 H1 HIS 1 HT1 HIS 1 25.055 -31.156 7.282 2 H2 HIS 1 HT2 HIS 1 23.425 -31.076 6.808 3 H3 HIS 1 HT3 HIS 1 24.042 -29.957 7.926 4 HA HIS 1 HA HIS 1 25.364 -30.063 5.330 5 HB2 HIS 1 HB2 HIS 1 23.716 -28.754 4.217 6 HB3 HIS 1 HB1 HIS 1 22.869 -30.170 4.862 7 HD2 HIS 1 HD2 HIS 1 22.390 -26.468 4.816 8 HE1 HIS 1 HE1 HIS 1 20.582 -27.689 8.428 9 HE2 HIS 1 HE2 HIS 1 20.846 -25.758 6.797 10 H AIB 2 HN AIB 2 25.654 -27.837 4.629 11 HB11 AIB 2 HB11 AIB 2 28.121 -25.255 6.001 12 HB12 AIB 2 HB12 AIB 2 28.217 -26.887 5.322 13 HB13 AIB 2 HB13 AIB 2 27.951 -26.664 7.053 14 HB21 AIB 2 HB21 AIB 2 25.645 -24.518 6.962 15 HB22 AIB 2 HB22 AIB 2 26.061 -25.920 7.947 16 HB23 AIB 2 HB23 AIB 2 24.536 -25.885 7.058 17 H GLN 3 HN GLN 3 24.064 -25.731 4.890 18 HA GLN 3 HA GLN 3 23.942 -25.046 2.455 19 HB2 GLN 3 HB2 GLN 3 23.002 -22.680 3.147 20 HB3 GLN 3 HB1 GLN 3 22.139 -24.165 3.514 21 HG2 GLN 3 HG2 GLN 3 24.155 -23.463 5.520 22 HG3 GLN 3 HG1 GLN 3 22.885 -22.273 5.367 23 HE21 GLN 3 HE21 GLN 3 20.687 -23.976 4.721 24 HE22 GLN 3 HE22 GLN 3 20.358 -24.939 6.079 25 H GLY 4 HN GLY 4 25.652 -23.153 4.628 26 HA2 GLY 4 HA2 GLY 4 27.490 -21.756 4.465 27 HA3 GLY 4 HA1 GLY 4 27.739 -22.409 2.849 28 H THR 5 HN THR 5 24.658 -21.339 2.982 29 HA THR 5 HA THR 5 24.779 -19.311 1.172 30 HB THR 5 HB THR 5 22.636 -19.983 1.732 31 HG1 THR 5 HG1 THR 5 22.001 -17.921 3.133 32 HG21 THR 5 HG21 THR 5 21.840 -20.495 3.806 33 HG22 THR 5 HG22 THR 5 22.714 -19.171 4.568 34 HG23 THR 5 HG23 THR 5 23.554 -20.654 4.137 35 H PHE 6 HN PHE 6 25.700 -19.389 4.342 36 HA PHE 6 HA PHE 6 26.303 -16.523 4.338 37 HB2 PHE 6 HB2 PHE 6 26.070 -16.547 6.713 38 HB3 PHE 6 HB1 PHE 6 24.629 -17.243 5.960 39 HD1 PHE 6 HD1 PHE 6 24.560 -19.757 5.764 40 HD2 PHE 6 HD2 PHE 6 27.225 -17.755 8.413 41 HE1 PHE 6 HE1 PHE 6 24.709 -21.807 7.075 42 HE2 PHE 6 HE2 PHE 6 27.399 -19.821 9.781 43 HZ PHE 6 HZ PHE 6 26.137 -21.859 9.120 44 H THR 7 HN THR 7 27.396 -19.392 5.952 45 HA THR 7 HA THR 7 30.066 -18.364 6.167 46 HB THR 7 HB THR 7 29.197 -19.624 8.019 47 HG1 THR 7 HG1 THR 7 30.870 -21.482 7.723 48 HG21 THR 7 HG21 THR 7 28.599 -21.930 7.813 49 HG22 THR 7 HG22 THR 7 29.132 -21.954 6.131 50 HG23 THR 7 HG23 THR 7 27.725 -21.013 6.596 51 H SER 8 HN SER 8 28.658 -19.633 3.583 52 HA SER 8 HA SER 8 30.198 -21.702 2.650 53 HB2 SER 8 HB2 SER 8 28.525 -20.990 1.152 54 HB3 SER 8 HB1 SER 8 29.088 -19.317 1.218 55 HG SER 8 HG SER 8 31.041 -21.010 0.412 56 H ASP 9 HN ASP 9 30.818 -18.393 2.016 57 HA ASP 9 HA ASP 9 33.205 -18.243 0.884 58 HB2 ASP 9 HB2 ASP 9 31.690 -16.456 1.942 59 HB3 ASP 9 HB1 ASP 9 32.713 -16.650 3.366 60 H TYR 10 HN TYR 10 32.973 -18.348 4.466 61 HA TYR 10 HA TYR 10 35.751 -18.736 4.864 62 HB2 TYR 10 HB2 TYR 10 33.886 -19.811 6.909 63 HB3 TYR 10 HB1 TYR 10 35.267 -18.734 7.098 64 HD1 TYR 10 HD2 TYR 10 34.600 -16.572 5.175 65 HD2 TYR 10 HD1 TYR 10 32.102 -18.682 7.961 66 HE1 TYR 10 HE2 TYR 10 33.062 -14.629 5.277 67 HE2 TYR 10 HE1 TYR 10 30.563 -16.760 8.056 68 HH TYR 10 HH TYR 10 31.378 -13.704 6.964 69 H SER 11 HN SER 11 33.098 -20.859 4.239 70 HA SER 11 HA SER 11 34.746 -23.238 4.749 71 HB2 SER 11 HB2 SER 11 32.037 -22.620 5.167 72 HB3 SER 11 HB1 SER 11 32.060 -23.772 3.834 73 HG SER 11 HG SER 11 32.994 -24.043 6.474 74 H LYS 12 HN LYS 12 34.811 -21.235 2.405 75 HA LYS 12 HA LYS 12 34.966 -23.287 0.330 76 HB2 LYS 12 HB2 LYS 12 33.200 -20.854 0.233 77 HB3 LYS 12 HB1 LYS 12 33.837 -21.554 -1.244 78 HG2 LYS 12 HG2 LYS 12 32.268 -23.106 0.829 79 HG3 LYS 12 HG1 LYS 12 31.568 -22.408 -0.627 80 HD2 LYS 12 HD2 LYS 12 33.620 -23.769 -1.743 81 HD3 LYS 12 HD1 LYS 12 33.334 -24.788 -0.336 82 HE2 LYS 12 HE2 LYS 12 31.852 -25.751 -1.797 83 HE3 LYS 12 HE1 LYS 12 30.800 -24.502 -1.136 84 HZ1 LYS 12 HZ1 LYS 12 31.396 -23.066 -2.976 85 HZ2 LYS 12 HZ2 LYS 12 30.773 -24.530 -3.567 86 HZ3 LYS 12 HZ3 LYS 12 32.445 -24.242 -3.598 87 H LYS 13 HN LYX 13 34.891 -19.834 -0.241 88 HA LYS 13 HA LYX 13 37.760 -19.509 -0.181 89 HB2 LYS 13 HB2 LYX 13 37.342 -18.831 -2.829 90 HB3 LYS 13 HB1 LYX 13 38.146 -20.296 -2.260 91 HG2 LYS 13 HG2 LYX 13 36.183 -21.603 -2.474 92 HG3 LYS 13 HG1 LYX 13 35.147 -20.184 -2.541 93 HD2 LYS 13 HD2 LYX 13 36.005 -19.601 -4.739 94 HD3 LYS 13 HD1 LYX 13 37.153 -20.940 -4.672 95 HE2 LYS 13 HE2 LYX 13 35.375 -21.839 -5.930 96 HE3 LYS 13 HE1 LYX 13 35.045 -22.434 -4.309 97 HZ1 LYS 13 HZ1 LYX 13 33.521 -20.432 -5.771 98 H LEU 14 HN LEU 14 35.602 -18.041 -2.536 99 HA LEU 14 HA LEU 14 35.612 -15.560 -0.964 100 HB2 LEU 14 HB2 LEU 14 37.293 -15.327 -2.685 101 HB3 LEU 14 HB1 LEU 14 36.164 -15.886 -3.914 102 HG LEU 14 HG LEU 14 34.776 -13.902 -3.608 103 HD11 LEU 14 HD11 LEU 14 35.881 -12.076 -2.076 104 HD12 LEU 14 HD12 LEU 14 36.621 -13.464 -1.280 105 HD13 LEU 14 HD13 LEU 14 34.866 -13.321 -1.350 106 HD21 LEU 14 HD21 LEU 14 36.143 -12.546 -4.834 107 HD22 LEU 14 HD22 LEU 14 37.223 -13.940 -4.792 108 HD23 LEU 14 HD23 LEU 14 37.444 -12.617 -3.646 109 H ASP 15 HN ASP 15 33.667 -14.559 -0.793 110 HA ASP 15 HA ASP 15 31.420 -15.708 -2.316 111 HB2 ASP 15 HB2 ASP 15 31.754 -14.707 0.395 112 HB3 ASP 15 HB1 ASP 15 30.380 -13.962 -0.416 113 H AIB 16 HN AIB 16 33.162 -12.743 -1.683 114 HB11 AIB 16 HB11 AIB 16 31.206 -9.598 -2.288 115 HB12 AIB 16 HB12 AIB 16 30.611 -11.133 -1.656 116 HB13 AIB 16 HB13 AIB 16 30.264 -10.673 -3.324 117 HB21 AIB 16 HB21 AIB 16 34.207 -10.455 -3.415 118 HB22 AIB 16 HB22 AIB 16 33.923 -10.773 -1.703 119 HB23 AIB 16 HB23 AIB 16 33.131 -9.407 -2.489 120 H ARG 17 HN ARG 17 33.270 -13.229 -4.384 121 HA ARG 17 HA ARG 17 33.358 -12.036 -6.915 122 HB2 ARG 17 HB2 ARG 17 33.364 -14.419 -7.778 123 HB3 ARG 17 HB1 ARG 17 34.597 -14.055 -6.573 124 HG2 ARG 17 HG2 ARG 17 33.096 -14.980 -4.814 125 HG3 ARG 17 HG1 ARG 17 31.950 -15.430 -6.069 126 HD2 ARG 17 HD2 ARG 17 34.337 -16.457 -7.016 127 HD3 ARG 17 HD1 ARG 17 34.444 -16.740 -5.278 128 HE ARG 17 HE ARG 17 31.976 -17.643 -5.787 129 HH11 ARG 17 HH21 ARG 17 34.974 -18.073 -7.469 130 HH12 ARG 17 HH22 ARG 17 34.563 -19.643 -8.076 131 HH21 ARG 17 HH11 ARG 17 31.440 -19.699 -6.573 132 HH22 ARG 17 HH12 ARG 17 32.563 -20.563 -7.569 133 H ARG 18 HN ARG 18 30.824 -13.904 -5.308 134 HA ARG 18 HA ARG 18 28.912 -12.874 -7.293 135 HB2 ARG 18 HB2 ARG 18 27.703 -15.007 -7.251 136 HB3 ARG 18 HB1 ARG 18 29.333 -15.207 -7.877 137 HG2 ARG 18 HG2 ARG 18 29.784 -15.652 -5.239 138 HG3 ARG 18 HG1 ARG 18 28.126 -16.238 -5.370 139 HD2 ARG 18 HD2 ARG 18 30.432 -17.107 -7.120 140 HD3 ARG 18 HD1 ARG 18 29.725 -18.051 -5.813 141 HE ARG 18 HE ARG 18 27.778 -17.243 -7.773 142 HH11 ARG 18 HH21 ARG 18 30.259 -19.518 -6.975 143 HH12 ARG 18 HH22 ARG 18 29.608 -20.784 -7.960 144 HH21 ARG 18 HH11 ARG 18 26.917 -18.898 -9.068 145 HH22 ARG 18 HH12 ARG 18 27.715 -20.434 -9.145 146 H ALA 19 HN ALA 19 27.077 -14.828 -5.585 147 HA ALA 19 HA ALA 19 25.545 -14.494 -3.900 148 HB1 ALA 19 HB1 ALA 19 26.556 -14.430 -1.883 149 HB2 ALA 19 HB2 ALA 19 27.226 -12.829 -2.195 150 HB3 ALA 19 HB3 ALA 19 28.079 -14.267 -2.757 151 H GLN 20 HN GLN 20 26.507 -12.327 -5.956 152 HA GLN 20 HA GLN 20 24.453 -10.414 -5.324 153 HB2 GLN 20 HB2 GLN 20 27.170 -9.900 -4.426 154 HB3 GLN 20 HB1 GLN 20 26.664 -8.702 -5.622 155 HG2 GLN 20 HG2 GLN 20 24.602 -8.279 -4.330 156 HG3 GLN 20 HG1 GLN 20 25.109 -9.469 -3.133 157 HE21 GLN 20 HE21 GLN 20 27.866 -8.830 -2.908 158 HE22 GLN 20 HE22 GLN 20 28.014 -7.262 -2.275 159 H ASP 21 HN ASP 21 25.748 -12.297 -7.334 160 HA ASP 21 HA ASP 21 25.236 -10.684 -9.689 161 HB2 ASP 21 HB2 ASP 21 27.920 -11.232 -8.721 162 HB3 ASP 21 HB1 ASP 21 27.661 -11.889 -10.341 163 H PHE 22 HN PHE 22 26.496 -13.719 -8.374 164 HA PHE 22 HA PHE 22 26.450 -15.870 -9.246 165 HB2 PHE 22 HB2 PHE 22 23.869 -16.447 -9.603 166 HB3 PHE 22 HB1 PHE 22 24.558 -16.202 -7.999 167 HD1 PHE 22 HD1 PHE 22 24.580 -13.693 -7.148 168 HD2 PHE 22 HD2 PHE 22 22.002 -15.207 -10.230 169 HE1 PHE 22 HE1 PHE 22 23.020 -11.802 -6.775 170 HE2 PHE 22 HE2 PHE 22 20.449 -13.319 -9.865 171 HZ PHE 22 HZ PHE 22 20.953 -11.613 -8.136 172 H VAL 23 HN VAL 23 23.594 -14.889 -11.031 173 HA VAL 23 HA VAL 23 24.911 -15.752 -13.511 174 HB VAL 23 HB VAL 23 22.727 -16.078 -14.409 175 HG11 VAL 23 HG11 VAL 23 21.912 -16.970 -11.758 176 HG12 VAL 23 HG12 VAL 23 23.606 -17.349 -12.078 177 HG13 VAL 23 HG13 VAL 23 22.351 -17.928 -13.174 178 HG21 VAL 23 HG21 VAL 23 20.840 -15.447 -12.536 179 HG22 VAL 23 HG22 VAL 23 21.279 -14.403 -13.885 180 HG23 VAL 23 HG23 VAL 23 21.995 -14.137 -12.299 181 H GLN 24 HN GLN 24 25.731 -13.262 -12.537 182 HA GLN 24 HA GLN 24 26.019 -11.082 -13.196 183 HB2 GLN 24 HB2 GLN 24 24.736 -12.052 -15.760 184 HB3 GLN 24 HB1 GLN 24 25.658 -10.556 -15.558 185 HG2 GLN 24 HG2 GLN 24 27.684 -11.696 -15.243 186 HG3 GLN 24 HG1 GLN 24 26.878 -13.207 -14.822 187 HE21 GLN 24 HE21 GLN 24 26.097 -11.123 -17.625 188 HE22 GLN 24 HE22 GLN 24 26.518 -12.278 -18.797 189 H TRP 25 HN TRP 25 23.795 -11.605 -11.629 190 HA TRP 25 HA TRP 25 21.669 -10.868 -11.105 191 HB2 TRP 25 HB2 TRP 25 23.474 -8.752 -11.357 192 HB3 TRP 25 HB1 TRP 25 22.038 -8.190 -12.203 193 HD1 TRP 25 HD1 TRP 25 23.355 -7.749 -9.021 194 HE1 TRP 25 HE1 TRP 25 21.581 -7.643 -7.152 195 HE3 TRP 25 HE3 TRP 25 19.368 -9.808 -11.450 196 HZ2 TRP 25 HZ2 TRP 25 18.832 -8.344 -6.747 197 HZ3 TRP 25 HZ3 TRP 25 17.202 -10.083 -10.329 198 HH2 TRP 25 HH2 TRP 25 16.917 -9.351 -7.967 199 H LEU 26 HN LEU 26 21.102 -12.372 -12.980 200 HA LEU 26 HA LEU 26 19.963 -12.806 -14.939 201 HB2 LEU 26 HB2 LEU 26 18.443 -10.956 -13.235 202 HB3 LEU 26 HB1 LEU 26 17.932 -10.926 -14.921 203 HG LEU 26 HG LEU 26 16.721 -12.630 -13.531 204 HD11 LEU 26 HD11 LEU 26 18.012 -14.500 -15.275 205 HD12 LEU 26 HD12 LEU 26 17.929 -12.941 -16.094 206 HD13 LEU 26 HD13 LEU 26 16.456 -13.699 -15.490 207 HD21 LEU 26 HD21 LEU 26 18.969 -14.519 -13.581 208 HD22 LEU 26 HD22 LEU 26 17.820 -14.179 -12.289 209 HD23 LEU 26 HD23 LEU 26 19.239 -13.156 -12.496 210 H MET 27 HN MET 27 22.199 -10.856 -15.093 211 HA MET 27 HA MET 27 23.183 -9.783 -16.891 212 HB2 MET 27 HB2 MET 27 21.249 -11.088 -18.184 213 HB3 MET 27 HB1 MET 27 20.619 -9.452 -18.373 214 HG2 MET 27 HG2 MET 27 22.013 -9.700 -20.250 215 HG3 MET 27 HG1 MET 27 23.041 -8.844 -19.100 216 HE1 MET 27 HE1 MET 27 24.396 -12.155 -21.418 217 HE2 MET 27 HE2 MET 27 24.090 -10.433 -21.624 218 HE3 MET 27 HE3 MET 27 22.735 -11.551 -21.503 219 H ASN 28 HN ASN 28 23.612 -7.969 -15.685 220 HA ASN 28 HA ASN 28 23.313 -5.853 -14.783 221 HB2 ASN 28 HB2 ASN 28 22.247 -5.500 -17.593 222 HB3 ASN 28 HB1 ASN 28 22.760 -4.191 -16.530 223 HD21 ASN 28 HD21 ASN 28 25.129 -4.793 -15.517 224 HD22 ASN 28 HD22 ASN 28 26.260 -5.267 -16.691 225 H THR 29 HN THR 29 21.093 -7.637 -14.237 226 HA THR 29 HA THR 29 18.774 -5.828 -14.384 227 HB THR 29 HB THR 29 18.631 -8.621 -13.311 228 HG1 THR 29 HG1 THR 29 18.077 -8.638 -15.885 229 HG21 THR 29 HG21 THR 29 16.761 -6.729 -13.554 230 HG22 THR 29 HG22 THR 29 16.390 -8.432 -13.817 231 HG23 THR 29 HG23 THR 29 16.683 -7.372 -15.195 232 H GGL 101 HN2 LYX 13 30.940 -20.757 -4.553 233 HA GGL 101 HA2 LYX 13 29.394 -20.118 -2.360 234 HB2 GGL 101 HI2 LYX 13 31.532 -18.682 -1.770 235 HB3 GGL 101 HI1 LYX 13 31.605 -20.437 -1.814 236 HG2 GGL 101 HH2 LYX 13 33.339 -18.901 -3.143 237 HG3 GGL 101 HH1 LYX 13 32.100 -19.016 -4.383 238 H GGL 102 HN3 LYX 13 29.863 -24.629 -2.749 239 HA GGL 102 HA3 LYX 13 29.808 -22.262 -3.129 240 HB2 GGL 102 HJ2 LYX 13 29.884 -23.736 -5.120 241 HB3 GGL 102 HJ1 LYX 13 28.130 -23.725 -5.189 242 HG2 GGL 102 HK2 LYX 13 29.986 -21.876 -6.325 243 HG3 GGL 102 HK1 LYX 13 28.235 -21.884 -6.471 244 H21 PLM 103 H22 LYX 13 26.479 -25.494 -2.533 245 H22 PLM 103 H21 LYX 13 27.976 -26.421 -2.478 246 H31 PLM 103 H32 LYX 13 26.727 -27.349 -0.716 247 H32 PLM 103 H31 LYX 13 27.755 -26.177 0.110 248 H41 PLM 103 H41 LYX 13 25.702 -25.583 1.003 249 H42 PLM 103 H42 LYX 13 25.714 -24.550 -0.430 250 H51 PLM 103 H51 LYX 13 24.284 -27.183 -0.029 251 H52 PLM 103 H52 LYX 13 24.576 -26.528 -1.639 252 H61 PLM 103 H62 LYX 13 23.483 -24.536 0.217 253 H62 PLM 103 H61 LYX 13 22.953 -24.965 -1.409 254 H71 PLM 103 H72 LYX 13 22.344 -26.540 1.112 255 H72 PLM 103 H71 LYX 13 21.801 -26.955 -0.514 256 H81 PLM 103 H82 LYX 13 21.193 -24.232 0.612 257 H82 PLM 103 H81 LYX 13 20.328 -25.138 -0.628 258 H91 PLM 103 H91 LYX 13 20.448 -25.897 2.309 259 H92 PLM 103 H92 LYX 13 19.529 -26.731 1.057 260 HA1 PLM 103 H102 LYX 13 17.869 -25.354 1.894 261 HA2 PLM 103 H101 LYX 13 18.543 -24.281 0.668 262 HB1 PLM 103 H111 LYX 13 19.298 -24.314 3.607 263 HB2 PLM 103 H112 LYX 13 20.007 -23.257 2.385 264 HC1 PLM 103 H122 LYX 13 17.216 -23.240 3.512 265 HC2 PLM 103 H121 LYX 13 17.527 -22.569 1.911 266 HD1 PLM 103 H132 LYX 13 19.135 -21.002 2.808 267 HD2 PLM 103 H131 LYX 13 17.672 -20.881 3.784 268 HE1 PLM 103 H142 LYX 13 20.283 -22.227 4.475 269 HE2 PLM 103 H141 LYX 13 18.791 -22.641 5.318 270 HF1 PLM 103 H151 LYX 13 19.639 -19.765 5.015 271 HF2 PLM 103 H152 LYX 13 18.549 -20.473 6.206 272 HG1 PLM 103 H162 LYX 13 21.540 -20.465 6.135 273 HG2 PLM 103 H163 LYX 13 20.451 -20.255 7.506 274 HG3 PLM 103 H161 LYX 13 20.732 -21.865 6.843 Start of MODEL 9 1 H1 HIS 1 HT1 HIS 1 18.420 -28.671 4.883 2 H2 HIS 1 HT2 HIS 1 19.125 -27.767 6.137 3 H3 HIS 1 HT3 HIS 1 19.816 -29.243 5.659 4 HA HIS 1 HA HIS 1 20.690 -28.376 3.718 5 HB2 HIS 1 HB2 HIS 1 19.891 -26.438 2.605 6 HB3 HIS 1 HB1 HIS 1 18.442 -27.328 3.098 7 HD2 HIS 1 HD2 HIS 1 19.614 -23.802 3.237 8 HE1 HIS 1 HE1 HIS 1 17.291 -24.219 6.736 9 HE2 HIS 1 HE2 HIS 1 18.421 -22.547 5.189 10 H AIB 2 HN AIB 2 22.082 -26.561 3.292 11 HB11 AIB 2 HB11 AIB 2 24.624 -26.957 4.513 12 HB12 AIB 2 HB12 AIB 2 24.186 -26.569 6.179 13 HB13 AIB 2 HB13 AIB 2 25.193 -25.452 5.245 14 HB21 AIB 2 HB21 AIB 2 21.571 -24.334 5.650 15 HB22 AIB 2 HB22 AIB 2 23.168 -23.604 5.815 16 HB23 AIB 2 HB23 AIB 2 22.747 -25.025 6.771 17 H GLN 3 HN GLN 3 21.647 -24.039 3.418 18 HA GLN 3 HA GLN 3 22.313 -23.390 1.053 19 HB2 GLN 3 HB2 GLN 3 22.343 -20.842 1.856 20 HB3 GLN 3 HB1 GLN 3 20.875 -21.812 1.836 21 HG2 GLN 3 HG2 GLN 3 21.243 -22.421 4.177 22 HG3 GLN 3 HG1 GLN 3 22.725 -21.490 4.196 23 HE21 GLN 3 HE21 GLN 3 20.129 -20.152 2.317 24 HE22 GLN 3 HE22 GLN 3 19.647 -18.971 3.436 25 H GLY 4 HN GLY 4 24.165 -22.442 3.685 26 HA2 GLY 4 HA2 GLY 4 26.402 -21.934 3.977 27 HA3 GLY 4 HA1 GLY 4 26.688 -22.503 2.337 28 H THR 5 HN THR 5 24.242 -20.314 2.321 29 HA THR 5 HA THR 5 25.364 -18.369 0.783 30 HB THR 5 HB THR 5 23.032 -18.421 1.125 31 HG1 THR 5 HG1 THR 5 24.275 -16.296 1.103 32 HG21 THR 5 HG21 THR 5 23.195 -19.370 3.444 33 HG22 THR 5 HG22 THR 5 21.957 -18.129 3.233 34 HG23 THR 5 HG23 THR 5 23.483 -17.712 3.999 35 H PHE 6 HN PHE 6 25.894 -19.071 3.948 36 HA PHE 6 HA PHE 6 27.328 -16.558 4.380 37 HB2 PHE 6 HB2 PHE 6 26.795 -16.721 6.712 38 HB3 PHE 6 HB1 PHE 6 25.323 -16.850 5.740 39 HD1 PHE 6 HD2 PHE 6 24.579 -19.225 5.145 40 HD2 PHE 6 HD1 PHE 6 27.224 -18.369 8.377 41 HE1 PHE 6 HE2 PHE 6 23.938 -21.344 6.152 42 HE2 PHE 6 HE1 PHE 6 26.591 -20.519 9.440 43 HZ PHE 6 HZ PHE 6 24.947 -22.021 8.335 44 H THR 7 HN THR 7 27.353 -19.679 5.931 45 HA THR 7 HA THR 7 30.063 -19.611 6.615 46 HB THR 7 HB THR 7 28.594 -21.010 7.833 47 HG1 THR 7 HG1 THR 7 30.472 -22.451 6.283 48 HG21 THR 7 HG21 THR 7 27.052 -21.441 6.062 49 HG22 THR 7 HG22 THR 7 27.576 -22.970 6.764 50 HG23 THR 7 HG23 THR 7 28.242 -22.426 5.222 51 H SER 8 HN SER 8 29.059 -19.615 3.612 52 HA SER 8 HA SER 8 30.598 -21.722 2.447 53 HB2 SER 8 HB2 SER 8 29.253 -19.289 1.355 54 HB3 SER 8 HB1 SER 8 30.320 -20.258 0.350 55 HG SER 8 HG SER 8 28.796 -21.972 1.569 56 H ASP 9 HN ASP 9 31.022 -18.561 1.388 57 HA ASP 9 HA ASP 9 33.420 -18.238 0.533 58 HB2 ASP 9 HB2 ASP 9 31.984 -16.377 0.956 59 HB3 ASP 9 HB1 ASP 9 32.222 -16.535 2.696 60 H TYR 10 HN TYR 10 32.948 -18.531 4.077 61 HA TYR 10 HA TYR 10 35.796 -18.357 4.560 62 HB2 TYR 10 HB2 TYR 10 34.178 -19.453 6.740 63 HB3 TYR 10 HB1 TYR 10 35.210 -18.026 6.714 64 HD1 TYR 10 HD1 TYR 10 34.106 -16.291 4.710 65 HD2 TYR 10 HD2 TYR 10 32.037 -18.853 7.471 66 HE1 TYR 10 HE1 TYR 10 32.094 -14.851 4.535 67 HE2 TYR 10 HE2 TYR 10 30.013 -17.431 7.287 68 HH TYR 10 HH TYR 10 29.941 -14.474 6.366 69 H SER 11 HN SER 11 33.320 -20.869 4.652 70 HA SER 11 HA SER 11 35.250 -22.964 5.204 71 HB2 SER 11 HB2 SER 11 32.774 -22.835 5.955 72 HB3 SER 11 HB1 SER 11 32.402 -23.364 4.318 73 HG SER 11 HG SER 11 34.308 -24.932 5.077 74 H LYS 12 HN LYS 12 34.451 -21.191 2.553 75 HA LYS 12 HA LYS 12 35.209 -23.360 0.692 76 HB2 LYS 12 HB2 LYS 12 33.199 -21.141 0.231 77 HB3 LYS 12 HB1 LYS 12 33.755 -22.265 -0.997 78 HG2 LYS 12 HG2 LYS 12 32.446 -23.151 1.578 79 HG3 LYS 12 HG1 LYS 12 31.550 -22.864 0.094 80 HD2 LYS 12 HD2 LYS 12 33.273 -24.504 -0.990 81 HD3 LYS 12 HD1 LYS 12 33.581 -25.007 0.675 82 HE2 LYS 12 HE2 LYS 12 31.861 -26.451 0.110 83 HE3 LYS 12 HE1 LYS 12 30.946 -25.105 0.791 84 HZ1 LYS 12 HZ1 LYS 12 30.577 -26.147 -1.672 85 HZ2 LYS 12 HZ2 LYS 12 31.557 -24.798 -2.001 86 HZ3 LYS 12 HZ3 LYS 12 30.080 -24.600 -1.182 87 H LYS 13 HN LYX 13 34.551 -19.945 0.114 88 HA LYS 13 HA LYX 13 37.229 -19.034 0.147 89 HB2 LYS 13 HB2 LYX 13 37.271 -18.631 -2.420 90 HB3 LYS 13 HB1 LYX 13 37.790 -20.196 -1.792 91 HG2 LYS 13 HG2 LYX 13 36.131 -21.271 -2.865 92 HG3 LYS 13 HG1 LYX 13 34.911 -20.119 -2.315 93 HD2 LYS 13 HD2 LYX 13 35.613 -18.535 -4.076 94 HD3 LYS 13 HD1 LYX 13 36.841 -19.674 -4.615 95 HE2 LYS 13 HE2 LYX 13 34.857 -19.814 -6.039 96 HE3 LYS 13 HE1 LYX 13 35.077 -21.311 -5.146 97 HZ1 LYS 13 HZ1 LYX 13 33.227 -19.248 -4.125 98 H LEU 14 HN LEU 14 34.983 -18.366 -2.444 99 HA LEU 14 HA LEU 14 34.713 -15.627 -1.493 100 HB2 LEU 14 HB2 LEU 14 35.408 -16.025 -3.833 101 HB3 LEU 14 HB1 LEU 14 33.921 -16.922 -4.118 102 HG LEU 14 HG LEU 14 32.585 -14.911 -3.711 103 HD11 LEU 14 HD11 LEU 14 33.738 -13.593 -2.128 104 HD12 LEU 14 HD12 LEU 14 34.075 -12.719 -3.620 105 HD13 LEU 14 HD13 LEU 14 35.285 -13.807 -2.942 106 HD21 LEU 14 HD21 LEU 14 33.807 -15.433 -5.956 107 HD22 LEU 14 HD22 LEU 14 34.813 -14.044 -5.541 108 HD23 LEU 14 HD23 LEU 14 33.072 -13.845 -5.741 109 H ASP 15 HN ASP 15 32.505 -14.621 -1.648 110 HA ASP 15 HA ASP 15 30.427 -16.542 -0.820 111 HB2 ASP 15 HB2 ASP 15 29.826 -15.081 0.773 112 HB3 ASP 15 HB1 ASP 15 31.311 -14.204 0.413 113 H AIB 16 HN AIB 16 31.183 -13.800 -2.888 114 HB11 AIB 16 HB11 AIB 16 27.855 -13.646 -3.136 115 HB12 AIB 16 HB12 AIB 16 27.773 -14.798 -4.470 116 HB13 AIB 16 HB13 AIB 16 27.646 -13.069 -4.790 117 HB21 AIB 16 HB21 AIB 16 29.385 -11.880 -5.385 118 HB22 AIB 16 HB22 AIB 16 31.043 -12.206 -4.875 119 HB23 AIB 16 HB23 AIB 16 29.840 -11.699 -3.690 120 H ARG 17 HN ARG 17 30.374 -16.206 -4.430 121 HA ARG 17 HA ARG 17 31.760 -16.374 -6.816 122 HB2 ARG 17 HB2 ARG 17 30.484 -18.766 -6.831 123 HB3 ARG 17 HB1 ARG 17 31.866 -18.422 -5.801 124 HG2 ARG 17 HG2 ARG 17 29.117 -17.708 -4.826 125 HG3 ARG 17 HG1 ARG 17 29.629 -19.382 -4.777 126 HD2 ARG 17 HD2 ARG 17 31.560 -17.392 -3.765 127 HD3 ARG 17 HD1 ARG 17 30.112 -17.663 -2.812 128 HE ARG 17 HE ARG 17 32.282 -19.531 -3.195 129 HH11 ARG 17 HH21 ARG 17 28.946 -19.055 -2.416 130 HH12 ARG 17 HH22 ARG 17 28.835 -20.464 -1.414 131 HH21 ARG 17 HH11 ARG 17 32.153 -21.359 -1.855 132 HH22 ARG 17 HH12 ARG 17 30.650 -21.771 -1.101 133 H ARG 18 HN ARG 18 28.299 -16.780 -6.236 134 HA ARG 18 HA ARG 18 27.802 -16.173 -9.083 135 HB2 ARG 18 HB2 ARG 18 26.082 -18.002 -7.412 136 HB3 ARG 18 HB1 ARG 18 26.034 -17.751 -9.159 137 HG2 ARG 18 HG2 ARG 18 27.338 -19.621 -9.236 138 HG3 ARG 18 HG1 ARG 18 28.644 -18.528 -8.774 139 HD2 ARG 18 HD2 ARG 18 28.739 -20.296 -7.179 140 HD3 ARG 18 HD1 ARG 18 27.941 -18.962 -6.353 141 HE ARG 18 HE ARG 18 26.275 -20.990 -7.687 142 HH11 ARG 18 HH21 ARG 18 27.466 -19.517 -4.761 143 HH12 ARG 18 HH22 ARG 18 26.233 -20.212 -3.769 144 HH21 ARG 18 HH11 ARG 18 24.681 -21.890 -6.365 145 HH22 ARG 18 HH12 ARG 18 24.668 -21.549 -4.667 146 H ALA 19 HN ALA 19 24.895 -16.712 -7.747 147 HA ALA 19 HA ALA 19 23.161 -15.276 -7.240 148 HB1 ALA 19 HB1 ALA 19 25.119 -15.159 -5.184 149 HB2 ALA 19 HB2 ALA 19 23.396 -14.800 -5.058 150 HB3 ALA 19 HB3 ALA 19 24.540 -13.513 -5.441 151 H GLN 20 HN GLN 20 25.442 -14.513 -9.191 152 HA GLN 20 HA GLN 20 24.311 -12.043 -10.073 153 HB2 GLN 20 HB2 GLN 20 26.391 -11.855 -8.110 154 HB3 GLN 20 HB1 GLN 20 27.050 -11.329 -9.663 155 HG2 GLN 20 HG2 GLN 20 25.151 -9.784 -9.956 156 HG3 GLN 20 HG1 GLN 20 24.484 -10.308 -8.411 157 HE21 GLN 20 HE21 GLN 20 24.914 -8.761 -6.838 158 HE22 GLN 20 HE22 GLN 20 26.363 -7.887 -6.703 159 H ASP 21 HN ASP 21 25.286 -14.836 -10.722 160 HA ASP 21 HA ASP 21 26.305 -14.254 -13.357 161 HB2 ASP 21 HB2 ASP 21 28.082 -14.947 -11.155 162 HB3 ASP 21 HB1 ASP 21 28.205 -16.086 -12.500 163 H PHE 22 HN PHE 22 26.273 -16.909 -10.968 164 HA PHE 22 HA PHE 22 25.796 -19.162 -11.279 165 HB2 PHE 22 HB2 PHE 22 23.287 -19.265 -12.203 166 HB3 PHE 22 HB1 PHE 22 23.665 -18.746 -10.563 167 HD1 PHE 22 HD1 PHE 22 24.177 -16.174 -10.272 168 HD2 PHE 22 HD2 PHE 22 22.017 -17.868 -13.573 169 HE1 PHE 22 HE1 PHE 22 23.149 -13.964 -10.738 170 HE2 PHE 22 HE2 PHE 22 20.996 -15.667 -14.043 171 HZ PHE 22 HZ PHE 22 21.559 -13.710 -12.625 172 H VAL 23 HN VAL 23 23.742 -18.193 -13.951 173 HA VAL 23 HA VAL 23 25.235 -20.003 -15.706 174 HB VAL 23 HB VAL 23 23.288 -20.046 -17.087 175 HG11 VAL 23 HG11 VAL 23 22.138 -21.326 -15.627 176 HG12 VAL 23 HG12 VAL 23 21.714 -19.926 -14.643 177 HG13 VAL 23 HG13 VAL 23 23.246 -20.757 -14.379 178 HG21 VAL 23 HG21 VAL 23 22.761 -17.464 -15.746 179 HG22 VAL 23 HG22 VAL 23 21.338 -18.475 -15.981 180 HG23 VAL 23 HG23 VAL 23 22.322 -18.005 -17.365 181 H GLN 24 HN GLN 24 26.597 -17.653 -15.158 182 HA GLN 24 HA GLN 24 27.664 -15.896 -16.183 183 HB2 GLN 24 HB2 GLN 24 26.628 -17.212 -18.705 184 HB3 GLN 24 HB1 GLN 24 27.908 -15.995 -18.621 185 HG2 GLN 24 HG2 GLN 24 29.409 -17.456 -17.582 186 HG3 GLN 24 HG1 GLN 24 28.129 -18.515 -16.995 187 HE21 GLN 24 HE21 GLN 24 28.703 -17.262 -20.323 188 HE22 GLN 24 HE22 GLN 24 28.832 -18.799 -21.033 189 H TRP 25 HN TRP 25 25.124 -15.387 -15.174 190 HA TRP 25 HA TRP 25 23.274 -14.019 -15.392 191 HB2 TRP 25 HB2 TRP 25 25.662 -12.585 -15.610 192 HB3 TRP 25 HB1 TRP 25 24.658 -11.939 -16.900 193 HD1 TRP 25 HD1 TRP 25 25.420 -10.989 -13.643 194 HE1 TRP 25 HE1 TRP 25 23.447 -9.916 -12.375 195 HE3 TRP 25 HE3 TRP 25 21.530 -12.535 -16.561 196 HZ2 TRP 25 HZ2 TRP 25 20.594 -9.744 -12.577 197 HZ3 TRP 25 HZ3 TRP 25 19.215 -11.920 -16.020 198 HH2 TRP 25 HH2 TRP 25 18.731 -10.518 -14.024 199 H LEU 26 HN LEU 26 22.623 -15.788 -16.975 200 HA LEU 26 HA LEU 26 21.801 -16.460 -19.024 201 HB2 LEU 26 HB2 LEU 26 20.638 -13.884 -18.220 202 HB3 LEU 26 HB1 LEU 26 20.492 -14.203 -19.947 203 HG LEU 26 HG LEU 26 18.569 -15.083 -18.594 204 HD11 LEU 26 HD11 LEU 26 20.085 -16.399 -20.619 205 HD12 LEU 26 HD12 LEU 26 18.363 -16.556 -20.278 206 HD13 LEU 26 HD13 LEU 26 19.519 -17.632 -19.493 207 HD21 LEU 26 HD21 LEU 26 20.085 -17.413 -17.643 208 HD22 LEU 26 HD22 LEU 26 18.875 -16.444 -16.804 209 HD23 LEU 26 HD23 LEU 26 20.555 -15.913 -16.845 210 H MET 27 HN MET 27 24.516 -15.219 -18.992 211 HA MET 27 HA MET 27 26.109 -14.982 -20.655 212 HB2 MET 27 HB2 MET 27 24.167 -16.109 -22.094 213 HB3 MET 27 HB1 MET 27 24.104 -14.497 -22.806 214 HG2 MET 27 HG2 MET 27 25.699 -15.605 -24.134 215 HG3 MET 27 HG1 MET 27 26.688 -14.711 -22.981 216 HE1 MET 27 HE1 MET 27 28.226 -18.110 -24.043 217 HE2 MET 27 HE2 MET 27 28.991 -16.784 -23.170 218 HE3 MET 27 HE3 MET 27 27.890 -16.434 -24.501 219 H ASN 28 HN ASN 28 26.809 -13.055 -19.802 220 HA ASN 28 HA ASN 28 26.988 -10.761 -19.507 221 HB2 ASN 28 HB2 ASN 28 26.885 -11.261 -22.469 222 HB3 ASN 28 HB1 ASN 28 27.090 -9.626 -21.845 223 HD21 ASN 28 HD21 ASN 28 29.036 -9.213 -20.484 224 HD22 ASN 28 HD22 ASN 28 30.394 -10.220 -20.632 225 H THR 29 HN THR 29 24.200 -11.822 -19.427 226 HA THR 29 HA THR 29 22.619 -9.684 -20.626 227 HB THR 29 HB THR 29 21.570 -11.808 -18.769 228 HG1 THR 29 HG1 THR 29 21.802 -12.107 -21.562 229 HG21 THR 29 HG21 THR 29 19.527 -11.242 -19.624 230 HG22 THR 29 HG22 THR 29 20.174 -10.916 -21.231 231 HG23 THR 29 HG23 THR 29 20.338 -9.713 -19.954 232 H GGL 101 HN2 LYX 13 31.072 -22.537 -4.295 233 HA GGL 101 HA2 LYX 13 32.030 -24.599 -6.059 234 HB2 GGL 101 HI2 LYX 13 34.108 -24.183 -4.425 235 HB3 GGL 101 HI1 LYX 13 33.689 -23.070 -5.726 236 HG2 GGL 101 HH2 LYX 13 34.059 -22.172 -3.267 237 HG3 GGL 101 HH1 LYX 13 32.397 -22.703 -3.050 238 H GGL 102 HN3 LYX 13 29.208 -25.200 -3.293 239 HA GGL 102 HA3 LYX 13 30.014 -22.987 -2.708 240 HB2 GGL 102 HJ2 LYX 13 27.132 -23.099 -3.586 241 HB3 GGL 102 HJ1 LYX 13 27.909 -21.560 -3.260 242 HG2 GGL 102 HK2 LYX 13 27.924 -22.678 -5.699 243 HG3 GGL 102 HK1 LYX 13 29.214 -21.648 -5.110 244 H21 PLM 103 H22 LYX 13 26.322 -24.237 -1.408 245 H22 PLM 103 H21 LYX 13 26.300 -25.489 -2.646 246 H31 PLM 103 H32 LYX 13 24.998 -26.459 -0.963 247 H32 PLM 103 H31 LYX 13 26.588 -27.139 -0.638 248 H41 PLM 103 H41 LYX 13 26.648 -24.777 0.809 249 H42 PLM 103 H42 LYX 13 24.969 -25.285 0.980 250 H51 PLM 103 H51 LYX 13 25.915 -27.620 1.552 251 H52 PLM 103 H52 LYX 13 26.074 -26.365 2.773 252 H61 PLM 103 H62 LYX 13 28.200 -27.536 0.994 253 H62 PLM 103 H61 LYX 13 28.410 -25.922 1.672 254 H71 PLM 103 H72 LYX 13 29.222 -28.099 2.983 255 H72 PLM 103 H71 LYX 13 27.541 -28.105 3.517 256 H81 PLM 103 H82 LYX 13 29.503 -25.805 3.786 257 H82 PLM 103 H81 LYX 13 27.799 -25.728 4.235 258 H91 PLM 103 H91 LYX 13 29.834 -27.657 5.395 259 H92 PLM 103 H92 LYX 13 28.134 -27.554 5.856 260 HA1 PLM 103 H102 LYX 13 28.412 -25.415 6.833 261 HA2 PLM 103 H101 LYX 13 29.956 -25.150 6.021 262 HB1 PLM 103 H111 LYX 13 29.872 -27.551 7.738 263 HB2 PLM 103 H112 LYX 13 31.122 -26.318 7.592 264 HC1 PLM 103 H122 LYX 13 30.082 -26.271 9.835 265 HC2 PLM 103 H121 LYX 13 28.503 -26.004 9.098 266 HD1 PLM 103 H132 LYX 13 30.726 -24.143 8.361 267 HD2 PLM 103 H131 LYX 13 28.998 -23.823 8.504 268 HE1 PLM 103 H142 LYX 13 30.954 -24.245 10.783 269 HE2 PLM 103 H141 LYX 13 29.211 -24.085 10.988 270 HF1 PLM 103 H151 LYX 13 30.831 -21.968 11.158 271 HF2 PLM 103 H152 LYX 13 30.622 -21.977 9.408 272 HG1 PLM 103 H162 LYX 13 28.544 -21.626 11.556 273 HG2 PLM 103 H163 LYX 13 28.829 -20.637 10.124 274 HG3 PLM 103 H161 LYX 13 28.082 -22.228 9.965 Start of MODEL 10 1 H1 HIS 1 HT1 HIS 1 21.607 -30.311 7.449 2 H2 HIS 1 HT2 HIS 1 20.920 -28.876 8.045 3 H3 HIS 1 HT3 HIS 1 22.516 -29.288 8.451 4 HA HIS 1 HA HIS 1 22.836 -29.246 5.860 5 HB2 HIS 1 HB2 HIS 1 21.470 -27.648 4.759 6 HB3 HIS 1 HB1 HIS 1 20.344 -28.724 5.601 7 HD2 HIS 1 HD2 HIS 1 20.761 -25.057 5.189 8 HE1 HIS 1 HE1 HIS 1 19.246 -25.444 9.108 9 HE2 HIS 1 HE2 HIS 1 19.714 -23.803 7.224 10 H AIB 2 HN AIB 2 23.743 -27.291 5.018 11 HB11 AIB 2 HB11 AIB 2 26.253 -26.542 7.432 12 HB12 AIB 2 HB12 AIB 2 26.836 -25.370 6.241 13 HB13 AIB 2 HB13 AIB 2 26.483 -27.033 5.751 14 HB21 AIB 2 HB21 AIB 2 23.187 -24.897 7.199 15 HB22 AIB 2 HB22 AIB 2 24.608 -23.876 6.990 16 HB23 AIB 2 HB23 AIB 2 24.647 -25.210 8.141 17 H GLN 3 HN GLN 3 22.828 -24.874 4.986 18 HA GLN 3 HA GLN 3 22.986 -24.450 2.471 19 HB2 GLN 3 HB2 GLN 3 22.572 -21.869 2.989 20 HB3 GLN 3 HB1 GLN 3 21.367 -23.104 3.334 21 HG2 GLN 3 HG2 GLN 3 22.205 -23.292 5.623 22 HG3 GLN 3 HG1 GLN 3 23.434 -22.098 5.280 23 HE21 GLN 3 HE21 GLN 3 20.370 -21.552 3.753 24 HE22 GLN 3 HE22 GLN 3 19.816 -20.348 4.816 25 H GLY 4 HN GLY 4 24.954 -22.828 4.652 26 HA2 GLY 4 HA2 GLY 4 27.053 -21.848 4.515 27 HA3 GLY 4 HA1 GLY 4 27.214 -22.573 2.921 28 H THR 5 HN THR 5 24.380 -20.930 3.055 29 HA THR 5 HA THR 5 24.822 -19.035 1.159 30 HB THR 5 HB THR 5 22.630 -19.483 1.888 31 HG1 THR 5 HG1 THR 5 21.878 -17.444 2.052 32 HG21 THR 5 HG21 THR 5 23.322 -18.319 4.559 33 HG22 THR 5 HG22 THR 5 23.322 -20.061 4.233 34 HG23 THR 5 HG23 THR 5 21.829 -19.129 4.104 35 H PHE 6 HN PHE 6 25.927 -19.156 4.244 36 HA PHE 6 HA PHE 6 26.814 -16.372 4.163 37 HB2 PHE 6 HB2 PHE 6 26.756 -16.377 6.561 38 HB3 PHE 6 HB1 PHE 6 25.198 -16.889 5.900 39 HD1 PHE 6 HD2 PHE 6 24.882 -19.428 5.649 40 HD2 PHE 6 HD1 PHE 6 27.773 -17.685 8.249 41 HE1 PHE 6 HE2 PHE 6 24.861 -21.480 6.960 42 HE2 PHE 6 HE1 PHE 6 27.775 -19.756 9.615 43 HZ PHE 6 HZ PHE 6 26.318 -21.667 8.977 44 H THR 7 HN THR 7 27.738 -19.315 5.753 45 HA THR 7 HA THR 7 30.502 -18.563 5.811 46 HB THR 7 HB THR 7 29.601 -19.834 7.646 47 HG1 THR 7 HG1 THR 7 31.717 -20.598 6.164 48 HG21 THR 7 HG21 THR 7 29.128 -21.952 5.571 49 HG22 THR 7 HG22 THR 7 27.906 -20.986 6.385 50 HG23 THR 7 HG23 THR 7 28.865 -22.136 7.304 51 H SER 8 HN SER 8 28.836 -19.511 3.247 52 HA SER 8 HA SER 8 30.330 -21.658 2.191 53 HB2 SER 8 HB2 SER 8 28.739 -19.475 0.871 54 HB3 SER 8 HB1 SER 8 29.624 -20.670 -0.070 55 HG SER 8 HG SER 8 28.403 -22.113 1.630 56 H ASP 9 HN ASP 9 31.340 -18.741 3.081 57 HA ASP 9 HA ASP 9 33.328 -18.381 0.966 58 HB2 ASP 9 HB2 ASP 9 32.384 -16.359 1.505 59 HB3 ASP 9 HB1 ASP 9 32.180 -16.785 3.201 60 H TYR 10 HN TYR 10 33.364 -18.319 4.555 61 HA TYR 10 HA TYR 10 36.148 -18.832 4.758 62 HB2 TYR 10 HB2 TYR 10 34.432 -19.796 6.967 63 HB3 TYR 10 HB1 TYR 10 35.828 -18.724 7.017 64 HD1 TYR 10 HD1 TYR 10 35.448 -16.341 5.905 65 HD2 TYR 10 HD2 TYR 10 32.318 -18.907 7.338 66 HE1 TYR 10 HE1 TYR 10 33.925 -14.390 6.082 67 HE2 TYR 10 HE2 TYR 10 30.794 -16.970 7.511 68 HH TYR 10 HH TYR 10 31.823 -13.726 6.453 69 H SER 11 HN SER 11 33.301 -20.776 4.473 70 HA SER 11 HA SER 11 34.491 -23.287 5.138 71 HB2 SER 11 HB2 SER 11 32.034 -22.780 5.212 72 HB3 SER 11 HB1 SER 11 32.040 -22.740 3.450 73 HG SER 11 HG SER 11 32.497 -24.870 3.396 74 H LYS 12 HN LYS 12 33.874 -21.483 2.145 75 HA LYS 12 HA LYS 12 35.483 -23.494 0.689 76 HB2 LYS 12 HB2 LYS 12 33.633 -21.537 -0.652 77 HB3 LYS 12 HB1 LYS 12 34.307 -23.018 -1.292 78 HG2 LYS 12 HG2 LYS 12 32.488 -23.158 1.090 79 HG3 LYS 12 HG1 LYS 12 31.797 -22.897 -0.508 80 HD2 LYS 12 HD2 LYS 12 33.850 -25.049 -0.236 81 HD3 LYS 12 HD1 LYS 12 32.257 -25.358 0.448 82 HE2 LYS 12 HE2 LYS 12 32.762 -25.966 -2.068 83 HE3 LYS 12 HE1 LYS 12 31.205 -25.282 -1.616 84 HZ1 LYS 12 HZ1 LYS 12 33.339 -24.134 -3.185 85 HZ2 LYS 12 HZ2 LYS 12 32.678 -23.078 -2.032 86 HZ3 LYS 12 HZ3 LYS 12 31.678 -23.795 -3.200 87 H LYS 13 HN LYX 13 34.581 -20.197 -0.203 88 HA LYS 13 HA LYX 13 37.355 -19.244 -0.023 89 HB2 LYS 13 HB2 LYX 13 35.675 -19.378 -2.528 90 HB3 LYS 13 HB1 LYX 13 37.066 -18.311 -2.371 91 HG2 LYS 13 HG2 LYX 13 38.578 -20.055 -2.462 92 HG3 LYS 13 HG1 LYX 13 37.456 -21.221 -1.783 93 HD2 LYS 13 HD2 LYX 13 36.751 -20.016 -4.419 94 HD3 LYS 13 HD1 LYX 13 38.047 -21.208 -4.390 95 HE2 LYS 13 HE2 LYX 13 36.622 -22.928 -3.906 96 HE3 LYS 13 HE1 LYX 13 35.584 -21.929 -2.896 97 HZ1 LYS 13 HZ1 LYX 13 35.473 -21.312 -5.727 98 H LEU 14 HN LEU 14 35.267 -17.718 -2.196 99 HA LEU 14 HA LEU 14 34.481 -15.683 -0.236 100 HB2 LEU 14 HB2 LEU 14 35.921 -14.459 -1.549 101 HB3 LEU 14 HB1 LEU 14 35.696 -15.501 -2.944 102 HG LEU 14 HG LEU 14 33.469 -14.445 -3.355 103 HD11 LEU 14 HD11 LEU 14 32.475 -13.129 -1.803 104 HD12 LEU 14 HD12 LEU 14 33.907 -12.112 -1.686 105 HD13 LEU 14 HD13 LEU 14 33.770 -13.554 -0.687 106 HD21 LEU 14 HD21 LEU 14 35.670 -13.569 -4.292 107 HD22 LEU 14 HD22 LEU 14 35.610 -12.337 -3.033 108 HD23 LEU 14 HD23 LEU 14 34.338 -12.415 -4.252 109 H ASP 15 HN ASP 15 32.385 -14.718 -0.570 110 HA ASP 15 HA ASP 15 30.560 -16.438 -2.137 111 HB2 ASP 15 HB2 ASP 15 28.822 -15.834 -0.550 112 HB3 ASP 15 HB1 ASP 15 30.207 -16.506 0.308 113 H AIB 16 HN AIB 16 31.736 -14.610 -3.637 114 HB11 AIB 16 HB11 AIB 16 28.917 -12.497 -5.515 115 HB12 AIB 16 HB12 AIB 16 28.637 -12.272 -3.789 116 HB13 AIB 16 HB13 AIB 16 28.718 -13.899 -4.463 117 HB21 AIB 16 HB21 AIB 16 30.490 -10.796 -4.037 118 HB22 AIB 16 HB22 AIB 16 32.091 -11.464 -3.712 119 HB23 AIB 16 HB23 AIB 16 30.790 -11.680 -2.540 120 H ARG 17 HN ARG 17 32.552 -14.487 -4.925 121 HA ARG 17 HA ARG 17 33.498 -13.137 -7.216 122 HB2 ARG 17 HB2 ARG 17 34.522 -15.451 -7.758 123 HB3 ARG 17 HB1 ARG 17 35.059 -14.616 -6.302 124 HG2 ARG 17 HG2 ARG 17 34.010 -16.103 -4.894 125 HG3 ARG 17 HG1 ARG 17 32.704 -16.422 -6.031 126 HD2 ARG 17 HD2 ARG 17 35.456 -17.304 -6.799 127 HD3 ARG 17 HD1 ARG 17 34.622 -18.220 -5.556 128 HE ARG 17 HE ARG 17 32.764 -18.008 -7.545 129 HH11 ARG 17 HH21 ARG 17 36.059 -19.042 -7.344 130 HH12 ARG 17 HH22 ARG 17 35.917 -20.200 -8.623 131 HH21 ARG 17 HH11 ARG 17 32.570 -19.526 -9.222 132 HH22 ARG 17 HH12 ARG 17 33.942 -20.475 -9.687 133 H ARG 18 HN ARG 18 30.946 -15.486 -6.765 134 HA ARG 18 HA ARG 18 30.677 -16.068 -9.584 135 HB2 ARG 18 HB2 ARG 18 28.328 -16.556 -7.855 136 HB3 ARG 18 HB1 ARG 18 29.177 -17.644 -8.949 137 HG2 ARG 18 HG2 ARG 18 31.065 -17.596 -7.170 138 HG3 ARG 18 HG1 ARG 18 29.818 -16.970 -6.090 139 HD2 ARG 18 HD2 ARG 18 30.134 -19.663 -7.257 140 HD3 ARG 18 HD1 ARG 18 29.432 -19.185 -5.721 141 HE ARG 18 HE ARG 18 27.541 -18.307 -7.344 142 HH11 ARG 18 HH21 ARG 18 29.378 -21.252 -7.487 143 HH12 ARG 18 HH22 ARG 18 28.144 -22.132 -8.320 144 HH21 ARG 18 HH11 ARG 18 25.930 -19.469 -8.427 145 HH22 ARG 18 HH12 ARG 18 26.195 -21.127 -8.850 146 H ALA 19 HN ALA 19 30.677 -13.268 -8.742 147 HA ALA 19 HA ALA 19 29.649 -11.341 -9.478 148 HB1 ALA 19 HB1 ALA 19 28.829 -13.059 -11.335 149 HB2 ALA 19 HB2 ALA 19 28.128 -11.445 -11.209 150 HB3 ALA 19 HB3 ALA 19 27.280 -12.832 -10.522 151 H GLN 20 HN GLN 20 27.232 -13.736 -8.464 152 HA GLN 20 HA GLN 20 26.569 -12.902 -5.976 153 HB2 GLN 20 HB2 GLN 20 26.028 -10.685 -6.428 154 HB3 GLN 20 HB1 GLN 20 25.408 -11.054 -8.040 155 HG2 GLN 20 HG2 GLN 20 23.999 -12.129 -5.606 156 HG3 GLN 20 HG1 GLN 20 23.734 -10.464 -6.109 157 HE21 GLN 20 HE21 GLN 20 23.487 -10.448 -8.774 158 HE22 GLN 20 HE22 GLN 20 22.314 -11.545 -9.323 159 H ASP 21 HN ASP 21 25.598 -13.911 -9.111 160 HA ASP 21 HA ASP 21 23.097 -15.021 -8.765 161 HB2 ASP 21 HB2 ASP 21 25.417 -15.467 -10.497 162 HB3 ASP 21 HB1 ASP 21 24.433 -16.916 -10.263 163 H PHE 22 HN PHE 22 26.009 -15.788 -7.182 164 HA PHE 22 HA PHE 22 25.875 -18.489 -6.668 165 HB2 PHE 22 HB2 PHE 22 27.480 -18.070 -5.145 166 HB3 PHE 22 HB1 PHE 22 27.387 -16.406 -5.715 167 HD1 PHE 22 HD1 PHE 22 26.119 -18.783 -3.153 168 HD2 PHE 22 HD2 PHE 22 26.508 -14.676 -4.341 169 HE1 PHE 22 HE1 PHE 22 25.337 -18.068 -0.918 170 HE2 PHE 22 HE2 PHE 22 25.725 -13.954 -2.105 171 HZ PHE 22 HZ PHE 22 25.140 -15.649 -0.388 172 H VAL 23 HN VAL 23 24.029 -15.847 -5.222 173 HA VAL 23 HA VAL 23 22.805 -17.195 -3.105 174 HB VAL 23 HB VAL 23 21.540 -15.063 -4.841 175 HG11 VAL 23 HG11 VAL 23 19.933 -16.044 -3.339 176 HG12 VAL 23 HG12 VAL 23 20.433 -14.507 -2.631 177 HG13 VAL 23 HG13 VAL 23 21.087 -16.021 -2.004 178 HG21 VAL 23 HG21 VAL 23 23.223 -14.722 -2.345 179 HG22 VAL 23 HG22 VAL 23 22.573 -13.445 -3.372 180 HG23 VAL 23 HG23 VAL 23 23.847 -14.501 -3.978 181 H GLN 24 HN GLN 24 22.382 -17.582 -6.484 182 HA GLN 24 HA GLN 24 19.776 -18.892 -6.149 183 HB2 GLN 24 HB2 GLN 24 21.374 -18.198 -8.628 184 HB3 GLN 24 HB1 GLN 24 19.803 -19.014 -8.640 185 HG2 GLN 24 HG2 GLN 24 18.760 -17.031 -8.473 186 HG3 GLN 24 HG1 GLN 24 19.601 -16.705 -6.959 187 HE21 GLN 24 HE21 GLN 24 20.735 -16.907 -10.386 188 HE22 GLN 24 HE22 GLN 24 21.496 -15.390 -10.368 189 H TRP 25 HN TRP 25 23.113 -19.603 -6.381 190 HA TRP 25 HA TRP 25 23.362 -21.981 -7.675 191 HB2 TRP 25 HB2 TRP 25 25.196 -20.887 -6.406 192 HB3 TRP 25 HB1 TRP 25 24.463 -21.449 -4.901 193 HD1 TRP 25 HD1 TRP 25 26.467 -22.626 -7.887 194 HE1 TRP 25 HE1 TRP 25 27.190 -25.074 -7.527 195 HE3 TRP 25 HE3 TRP 25 23.746 -23.753 -3.718 196 HZ2 TRP 25 HZ2 TRP 25 26.678 -27.225 -5.712 197 HZ3 TRP 25 HZ3 TRP 25 23.875 -25.995 -2.694 198 HH2 TRP 25 HH2 TRP 25 25.338 -27.739 -3.685 199 H LEU 26 HN LEU 26 22.249 -21.656 -4.299 200 HA LEU 26 HA LEU 26 21.539 -24.437 -4.129 201 HB2 LEU 26 HB2 LEU 26 20.208 -23.048 -2.077 202 HB3 LEU 26 HB1 LEU 26 21.722 -23.940 -1.956 203 HG LEU 26 HG LEU 26 22.951 -21.874 -2.641 204 HD11 LEU 26 HD11 LEU 26 21.861 -20.097 -3.480 205 HD12 LEU 26 HD12 LEU 26 20.841 -19.999 -2.045 206 HD13 LEU 26 HD13 LEU 26 20.364 -21.025 -3.397 207 HD21 LEU 26 HD21 LEU 26 21.105 -21.482 -0.270 208 HD22 LEU 26 HD22 LEU 26 22.675 -20.714 -0.511 209 HD23 LEU 26 HD23 LEU 26 22.576 -22.456 -0.251 210 H MET 27 HN MET 27 20.066 -21.740 -5.510 211 HA MET 27 HA MET 27 17.337 -22.701 -5.072 212 HB2 MET 27 HB2 MET 27 18.124 -20.209 -5.133 213 HB3 MET 27 HB1 MET 27 18.051 -20.418 -6.884 214 HG2 MET 27 HG2 MET 27 15.682 -21.512 -6.240 215 HG3 MET 27 HG1 MET 27 15.844 -20.399 -4.881 216 HE1 MET 27 HE1 MET 27 13.480 -19.903 -6.276 217 HE2 MET 27 HE2 MET 27 13.492 -18.242 -6.862 218 HE3 MET 27 HE3 MET 27 14.114 -18.605 -5.255 219 H ASN 28 HN ASN 28 19.777 -23.633 -6.980 220 HA ASN 28 HA ASN 28 19.785 -25.049 -8.808 221 HB2 ASN 28 HB2 ASN 28 17.261 -25.368 -7.989 222 HB3 ASN 28 HB1 ASN 28 16.940 -24.505 -9.492 223 HD21 ASN 28 HD21 ASN 28 16.901 -25.777 -11.354 224 HD22 ASN 28 HD22 ASN 28 17.568 -27.333 -11.477 225 H THR 29 HN THR 29 18.592 -21.840 -8.806 226 HA THR 29 HA THR 29 18.657 -20.137 -10.349 227 HB THR 29 HB THR 29 20.922 -21.914 -11.224 228 HG1 THR 29 HG1 THR 29 21.568 -20.756 -9.565 229 HG21 THR 29 HG21 THR 29 20.408 -20.985 -13.303 230 HG22 THR 29 HG22 THR 29 21.519 -19.788 -12.636 231 HG23 THR 29 HG23 THR 29 19.780 -19.497 -12.595 232 H GGL 101 HN2 LYX 13 31.318 -21.780 -2.896 233 HA GGL 101 HA2 LYX 13 31.949 -19.282 -1.958 234 HB2 GGL 101 HI2 LYX 13 33.704 -19.290 -3.755 235 HB3 GGL 101 HI1 LYX 13 33.653 -20.739 -2.773 236 HG2 GGL 101 HH2 LYX 13 33.047 -20.395 -5.638 237 HG3 GGL 101 HH1 LYX 13 31.923 -21.421 -4.756 238 H GGL 102 HN3 LYX 13 29.619 -25.376 -2.826 239 HA GGL 102 HA3 LYX 13 30.166 -23.119 -2.293 240 HB2 GGL 102 HJ2 LYX 13 29.110 -23.495 -4.539 241 HB3 GGL 102 HJ1 LYX 13 27.560 -23.052 -3.841 242 HG2 GGL 102 HK2 LYX 13 29.612 -21.363 -4.888 243 HG3 GGL 102 HK1 LYX 13 28.027 -20.905 -4.286 244 H21 PLM 103 H22 LYX 13 28.374 -27.122 -0.731 245 H22 PLM 103 H21 LYX 13 28.684 -25.607 0.109 246 H31 PLM 103 H32 LYX 13 25.922 -25.582 -0.356 247 H32 PLM 103 H31 LYX 13 26.271 -27.251 0.086 248 H41 PLM 103 H41 LYX 13 27.170 -24.832 1.689 249 H42 PLM 103 H42 LYX 13 25.740 -25.794 2.057 250 H51 PLM 103 H51 LYX 13 28.104 -27.469 1.682 251 H52 PLM 103 H52 LYX 13 26.972 -27.415 3.033 252 H61 PLM 103 H62 LYX 13 29.371 -25.625 2.567 253 H62 PLM 103 H61 LYX 13 28.139 -25.288 3.783 254 H71 PLM 103 H72 LYX 13 29.853 -27.787 3.618 255 H72 PLM 103 H71 LYX 13 28.574 -27.517 4.801 256 H81 PLM 103 H82 LYX 13 31.310 -26.588 4.847 257 H82 PLM 103 H81 LYX 13 30.207 -25.212 4.880 258 H91 PLM 103 H91 LYX 13 30.138 -27.605 6.745 259 H92 PLM 103 H92 LYX 13 28.969 -26.285 6.756 260 HA1 PLM 103 H102 LYX 13 31.508 -25.052 6.817 261 HA2 PLM 103 H101 LYX 13 31.608 -26.396 7.952 262 HB1 PLM 103 H111 LYX 13 29.388 -24.328 7.936 263 HB2 PLM 103 H112 LYX 13 29.617 -25.610 9.123 264 HC1 PLM 103 H122 LYX 13 31.232 -23.112 8.696 265 HC2 PLM 103 H121 LYX 13 31.993 -24.529 9.420 266 HD1 PLM 103 H132 LYX 13 29.334 -23.701 10.497 267 HD2 PLM 103 H131 LYX 13 30.716 -24.406 11.337 268 HE1 PLM 103 H142 LYX 13 31.868 -22.106 10.714 269 HE2 PLM 103 H141 LYX 13 30.807 -22.217 12.118 270 HF1 PLM 103 H151 LYX 13 29.556 -21.593 9.477 271 HF2 PLM 103 H152 LYX 13 29.097 -21.050 11.091 272 HG1 PLM 103 H162 LYX 13 31.479 -20.093 9.474 273 HG2 PLM 103 H163 LYX 13 30.028 -19.165 9.852 274 HG3 PLM 103 H161 LYX 13 31.147 -19.616 11.139
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