NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
578307 | 2mlv | 19833 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 -0.000 0.855 2 HA MET 1 HA MET 1 1.423 -0.276 -2.043 3 HB2 MET 1 2HB MET 1 3.378 1.326 -2.320 4 HB3 MET 1 3HB MET 1 1.846 2.039 -1.835 5 HG2 MET 1 2HG MET 1 3.621 1.250 0.369 6 HG3 MET 1 3HG MET 1 4.211 2.558 -0.654 7 HE1 MET 1 3HE MET 1 2.342 5.445 -0.208 8 HE2 MET 1 1HE MET 1 3.509 5.144 1.080 9 HE3 MET 1 2HE MET 1 3.839 4.580 -0.558 10 H LYS 2 H LYS 2 1.945 -2.518 -1.480 11 HA LYS 2 HA LYS 2 4.739 -2.996 -0.756 12 HB2 LYS 2 2HB LYS 2 2.253 -4.442 -0.432 13 HB3 LYS 2 3HB LYS 2 3.471 -5.455 -1.195 14 HG2 LYS 2 2HG LYS 2 4.949 -4.427 0.780 15 HG3 LYS 2 3HG LYS 2 3.358 -4.353 1.541 16 HD2 LYS 2 2HD LYS 2 3.643 -6.498 2.079 17 HD3 LYS 2 3HD LYS 2 3.435 -6.865 0.365 18 HE2 LYS 2 2HE LYS 2 5.913 -6.486 0.104 19 HE3 LYS 2 3HE LYS 2 6.011 -6.428 1.863 20 HZ1 LYS 2 3HZ LYS 2 4.700 -8.726 0.593 21 HZ2 LYS 2 1HZ LYS 2 5.546 -8.644 2.055 22 HZ3 LYS 2 2HZ LYS 2 6.390 -8.651 0.589 23 H THR 3 H THR 3 2.412 -3.839 -3.306 24 HA THR 3 HA THR 3 4.657 -4.641 -5.025 25 HB THR 3 HB THR 3 2.808 -6.283 -4.721 26 HG1 THR 3 HG1 THR 3 3.583 -6.806 -6.619 27 HG21 THR 3 1HG2 THR 3 1.180 -4.036 -5.128 28 HG22 THR 3 2HG2 THR 3 0.664 -5.711 -4.932 29 HG23 THR 3 3HG2 THR 3 0.949 -5.058 -6.545 30 H ILE 4 H ILE 4 4.082 -1.869 -4.504 31 HA ILE 4 HA ILE 4 2.628 -0.732 -6.670 32 HB ILE 4 HB ILE 4 3.102 0.419 -4.486 33 HG12 ILE 4 2HG1 ILE 4 3.978 1.954 -6.940 34 HG13 ILE 4 3HG1 ILE 4 2.302 1.587 -6.548 35 HG21 ILE 4 1HG2 ILE 4 5.791 1.032 -5.690 36 HG22 ILE 4 2HG2 ILE 4 5.199 1.450 -4.083 37 HG23 ILE 4 3HG2 ILE 4 5.535 -0.233 -4.487 38 HD11 ILE 4 3HD1 ILE 4 3.421 2.785 -4.265 39 HD12 ILE 4 1HD1 ILE 4 3.930 3.746 -5.653 40 HD13 ILE 4 2HD1 ILE 4 2.215 3.449 -5.367 41 H LEU 5 H LEU 5 5.650 -2.201 -6.502 42 HA LEU 5 HA LEU 5 7.292 -0.723 -8.153 43 HB2 LEU 5 2HB LEU 5 8.538 -2.666 -8.500 44 HB3 LEU 5 3HB LEU 5 7.783 -2.893 -6.924 45 HG LEU 5 HG LEU 5 5.975 -4.159 -8.415 46 HD11 LEU 5 1HD1 LEU 5 6.625 -4.835 -10.438 47 HD12 LEU 5 2HD1 LEU 5 8.253 -5.225 -9.882 48 HD13 LEU 5 3HD1 LEU 5 7.849 -3.569 -10.334 49 HD21 LEU 5 3HD2 LEU 5 7.087 -5.158 -6.540 50 HD22 LEU 5 1HD2 LEU 5 8.603 -5.263 -7.435 51 HD23 LEU 5 2HD2 LEU 5 7.225 -6.253 -7.917 52 H ARG 6 H ARG 6 4.600 -2.811 -9.006 53 HA ARG 6 HA ARG 6 5.102 -2.784 -11.815 54 HB2 ARG 6 2HB ARG 6 3.006 -3.893 -12.046 55 HB3 ARG 6 3HB ARG 6 3.754 -4.519 -10.582 56 HG2 ARG 6 2HG ARG 6 1.682 -4.175 -9.761 57 HG3 ARG 6 3HG ARG 6 2.319 -2.550 -9.501 58 HD2 ARG 6 2HD ARG 6 0.488 -1.903 -10.633 59 HD3 ARG 6 3HD ARG 6 1.431 -2.354 -12.053 60 HE ARG 6 HE ARG 6 0.206 -4.665 -11.363 61 HH11 ARG 6 1HH1 ARG 6 -0.937 -1.427 -11.937 62 HH12 ARG 6 2HH1 ARG 6 -2.489 -1.937 -12.515 63 HH21 ARG 6 1HH2 ARG 6 -1.833 -5.349 -12.122 64 HH22 ARG 6 2HH2 ARG 6 -2.998 -4.169 -12.619 65 H PHE 7 H PHE 7 3.292 -0.771 -9.599 66 HA PHE 7 HA PHE 7 1.884 0.668 -11.638 67 HB2 PHE 7 2HB PHE 7 0.880 0.559 -9.463 68 HB3 PHE 7 3HB PHE 7 2.329 1.205 -8.700 69 HD1 PHE 7 HD1 PHE 7 0.054 2.212 -11.486 70 HD2 PHE 7 HD2 PHE 7 2.129 3.353 -7.949 71 HE1 PHE 7 HE1 PHE 7 -0.861 4.488 -11.687 72 HE2 PHE 7 HE2 PHE 7 1.217 5.630 -8.144 73 HZ PHE 7 HZ PHE 7 -0.280 6.200 -10.014 74 H VAL 8 H VAL 8 4.600 1.473 -9.479 75 HA VAL 8 HA VAL 8 5.127 4.003 -10.603 76 HB VAL 8 HB VAL 8 7.011 2.149 -9.139 77 HG11 VAL 8 1HG1 VAL 8 7.232 5.104 -9.704 78 HG12 VAL 8 2HG1 VAL 8 8.326 4.167 -8.683 79 HG13 VAL 8 3HG1 VAL 8 8.226 3.831 -10.412 80 HG21 VAL 8 3HG2 VAL 8 6.240 4.335 -7.547 81 HG22 VAL 8 1HG2 VAL 8 4.763 3.696 -8.268 82 HG23 VAL 8 2HG2 VAL 8 5.816 2.637 -7.330 83 H ALA 9 H ALA 9 6.181 0.770 -11.444 84 HA ALA 9 HA ALA 9 8.365 1.279 -13.050 85 HB1 ALA 9 3HB ALA 9 7.611 -0.770 -14.341 86 HB2 ALA 9 1HB ALA 9 7.831 -0.970 -12.603 87 HB3 ALA 9 2HB ALA 9 6.208 -0.802 -13.273 88 H GLY 10 H GLY 10 4.935 1.235 -14.020 89 HA2 GLY 10 2HA GLY 10 5.478 2.016 -16.712 90 HA3 GLY 10 3HA GLY 10 3.903 2.003 -15.931 91 H TYR 11 H TYR 11 4.888 3.761 -13.751 92 HA TYR 11 HA TYR 11 4.234 6.249 -14.987 93 HB2 TYR 11 2HB TYR 11 3.713 5.492 -12.587 94 HB3 TYR 11 3HB TYR 11 5.373 5.943 -12.215 95 HD1 TYR 11 HD1 TYR 11 6.055 8.376 -12.967 96 HD2 TYR 11 HD2 TYR 11 2.050 7.081 -12.342 97 HE1 TYR 11 HE1 TYR 11 5.354 10.713 -12.651 98 HE2 TYR 11 HE2 TYR 11 1.339 9.414 -12.025 99 HH TYR 11 HH TYR 11 1.951 11.564 -12.187 100 H ASP 12 H ASP 12 7.196 4.707 -13.924 101 HA ASP 12 HA ASP 12 8.881 6.964 -14.019 102 HB2 ASP 12 2HB ASP 12 9.312 4.587 -13.053 103 HB3 ASP 12 3HB ASP 12 9.845 4.199 -14.686 104 H ILE 13 H ILE 13 7.666 4.820 -16.486 105 HA ILE 13 HA ILE 13 9.480 5.869 -18.501 106 HB ILE 13 HB ILE 13 7.192 3.916 -18.780 107 HG12 ILE 13 2HG1 ILE 13 9.863 2.878 -19.220 108 HG13 ILE 13 3HG1 ILE 13 9.709 3.565 -17.607 109 HG21 ILE 13 1HG2 ILE 13 9.360 4.691 -20.727 110 HG22 ILE 13 2HG2 ILE 13 8.187 3.397 -20.964 111 HG23 ILE 13 3HG2 ILE 13 7.644 5.072 -20.866 112 HD11 ILE 13 3HD1 ILE 13 8.607 1.114 -18.711 113 HD12 ILE 13 1HD1 ILE 13 8.891 1.580 -17.034 114 HD13 ILE 13 2HD1 ILE 13 7.415 2.091 -17.854 115 H ALA 14 H ALA 14 5.999 5.886 -17.801 116 HA ALA 14 HA ALA 14 5.214 7.437 -20.011 117 HB1 ALA 14 3HB ALA 14 3.954 6.989 -17.318 118 HB2 ALA 14 1HB ALA 14 3.191 7.952 -18.583 119 HB3 ALA 14 2HB ALA 14 3.532 6.244 -18.860 120 H SER 15 H SER 15 6.312 8.322 -16.780 121 HA SER 15 HA SER 15 5.735 11.100 -17.043 122 HB2 SER 15 2HB SER 15 5.946 10.053 -14.840 123 HB3 SER 15 3HB SER 15 7.635 9.669 -15.169 124 HG SER 15 HG SER 15 7.735 11.535 -14.064 125 H HIS 16 H HIS 16 8.404 9.062 -17.932 126 HA HIS 16 HA HIS 16 10.222 11.270 -18.368 127 HB2 HIS 16 2HB HIS 16 11.081 9.089 -17.626 128 HB3 HIS 16 3HB HIS 16 10.477 8.345 -19.104 129 HD1 HIS 16 HD1 HIS 16 12.821 7.630 -19.870 130 HD2 HIS 16 HD2 HIS 16 12.413 11.728 -19.321 131 HE1 HIS 16 HE1 HIS 16 14.868 8.655 -20.911 132 H LYS 17 H LYS 17 8.022 9.300 -20.225 133 HA LYS 17 HA LYS 17 9.018 10.138 -22.785 134 HB2 LYS 17 2HB LYS 17 7.299 8.133 -21.855 135 HB3 LYS 17 3HB LYS 17 6.283 9.187 -22.829 136 HG2 LYS 17 2HG LYS 17 7.319 8.632 -24.762 137 HG3 LYS 17 3HG LYS 17 8.890 8.414 -23.988 138 HD2 LYS 17 2HD LYS 17 7.243 6.421 -22.918 139 HD3 LYS 17 3HD LYS 17 6.883 6.453 -24.646 140 HE2 LYS 17 2HE LYS 17 9.738 6.594 -23.924 141 HE3 LYS 17 3HE LYS 17 8.929 5.072 -23.552 142 HZ1 LYS 17 3HZ LYS 17 8.907 6.383 -26.216 143 HZ2 LYS 17 1HZ LYS 17 8.260 4.867 -25.833 144 HZ3 LYS 17 2HZ LYS 17 9.933 5.111 -25.779 145 H LYS 18 H LYS 18 5.949 10.742 -21.066 146 HA LYS 18 HA LYS 18 5.303 12.942 -22.809 147 HB2 LYS 18 2HB LYS 18 3.985 11.597 -20.488 148 HB3 LYS 18 3HB LYS 18 3.446 13.206 -20.951 149 HG2 LYS 18 2HG LYS 18 3.579 10.874 -22.847 150 HG3 LYS 18 3HG LYS 18 2.134 11.337 -21.945 151 HD2 LYS 18 2HD LYS 18 2.520 13.672 -22.994 152 HD3 LYS 18 3HD LYS 18 3.545 12.807 -24.142 153 HE2 LYS 18 2HE LYS 18 1.568 11.266 -24.524 154 HE3 LYS 18 3HE LYS 18 0.604 12.437 -23.627 155 HZ1 LYS 18 3HZ LYS 18 2.053 13.844 -25.542 156 HZ2 LYS 18 1HZ LYS 18 0.382 13.586 -25.488 157 HZ3 LYS 18 2HZ LYS 18 1.377 12.508 -26.329 158 H LYS 19 H LYS 19 6.014 12.620 -19.332 159 HA LYS 19 HA LYS 19 6.776 14.109 -17.789 160 HB2 LYS 19 2HB LYS 19 8.671 14.064 -19.504 161 HB3 LYS 19 3HB LYS 19 8.034 15.595 -20.090 162 HG2 LYS 19 2HG LYS 19 8.241 16.336 -17.613 163 HG3 LYS 19 3HG LYS 19 9.344 14.965 -17.482 164 HD2 LYS 19 2HD LYS 19 10.086 16.313 -19.822 165 HD3 LYS 19 3HD LYS 19 9.792 17.572 -18.621 166 HE2 LYS 19 2HE LYS 19 11.316 16.484 -17.076 167 HE3 LYS 19 3HE LYS 19 11.563 15.163 -18.217 168 HZ1 LYS 19 3HZ LYS 19 12.303 17.069 -19.784 169 HZ2 LYS 19 1HZ LYS 19 13.377 16.488 -18.613 170 HZ3 LYS 19 2HZ LYS 19 12.539 17.933 -18.349 171 H THR 20 H THR 20 4.745 14.951 -17.242 172 HA THR 20 HA THR 20 4.472 17.750 -17.549 173 HB THR 20 HB THR 20 3.619 17.366 -19.735 174 HG1 THR 20 HG1 THR 20 1.666 18.326 -19.490 175 HG21 THR 20 1HG2 THR 20 3.174 15.046 -19.779 176 HG22 THR 20 2HG2 THR 20 1.614 15.827 -20.041 177 HG23 THR 20 3HG2 THR 20 2.014 15.164 -18.457 178 H GLY 21 H GLY 21 2.840 18.630 -16.218 179 HA2 GLY 21 2HA GLY 21 1.413 18.687 -14.419 180 HA3 GLY 21 3HA GLY 21 0.847 17.103 -14.927 181 H GLY 22 H GLY 22 3.093 18.841 -12.893 182 HA2 GLY 22 2HA GLY 22 3.183 16.614 -11.060 183 HA3 GLY 22 3HA GLY 22 4.720 16.941 -11.847 184 H TYR 23 H TYR 23 2.427 17.996 -9.485 185 HA TYR 23 HA TYR 23 3.402 20.571 -8.962 186 HB2 TYR 23 2HB TYR 23 1.846 18.553 -7.405 187 HB3 TYR 23 3HB TYR 23 2.503 19.946 -6.553 188 HD1 TYR 23 HD1 TYR 23 2.159 22.174 -8.286 189 HD2 TYR 23 HD2 TYR 23 -0.415 18.827 -7.757 190 HE1 TYR 23 HE1 TYR 23 0.248 23.534 -9.028 191 HE2 TYR 23 HE2 TYR 23 -2.332 20.177 -8.499 192 HH TYR 23 HH TYR 23 -2.726 22.992 -8.456 193 HA PRO 24 HA PRO 24 7.209 20.047 -6.847 194 HB2 PRO 24 2HB PRO 24 7.049 21.921 -4.889 195 HB3 PRO 24 3HB PRO 24 7.272 22.329 -6.594 196 HG2 PRO 24 2HG PRO 24 4.768 22.349 -4.953 197 HG3 PRO 24 3HG PRO 24 5.339 23.539 -6.137 198 HD2 PRO 24 2HD PRO 24 3.455 21.687 -6.727 199 HD3 PRO 24 3HD PRO 24 4.610 22.292 -7.932 200 H TRP 25 H TRP 25 4.279 19.930 -4.919 201 HA TRP 25 HA TRP 25 5.693 18.508 -2.781 202 HB2 TRP 25 2HB TRP 25 3.470 18.744 -1.578 203 HB3 TRP 25 3HB TRP 25 4.324 20.247 -1.917 204 HD1 TRP 25 HD1 TRP 25 3.038 22.054 -3.249 205 HE1 TRP 25 HE1 TRP 25 0.736 22.167 -4.394 206 HE3 TRP 25 HE3 TRP 25 1.726 17.124 -2.921 207 HZ2 TRP 25 HZ2 TRP 25 -1.360 20.400 -5.067 208 HZ3 TRP 25 HZ3 TRP 25 -0.445 16.418 -3.839 209 HH2 TRP 25 HH2 TRP 25 -1.955 18.024 -4.889 210 H GLU 26 H GLU 26 3.662 17.976 -5.473 211 HA GLU 26 HA GLU 26 2.744 15.384 -4.482 212 HB2 GLU 26 2HB GLU 26 1.434 17.220 -5.948 213 HB3 GLU 26 3HB GLU 26 2.114 16.250 -7.247 214 HG2 GLU 26 2HG GLU 26 0.991 14.308 -6.518 215 HG3 GLU 26 3HG GLU 26 0.553 15.051 -4.981 216 H ARG 27 H ARG 27 5.448 15.422 -4.735 217 HA ARG 27 HA ARG 27 5.910 13.820 -7.166 218 HB2 ARG 27 2HB ARG 27 7.724 15.784 -5.776 219 HB3 ARG 27 3HB ARG 27 8.343 14.561 -6.877 220 HG2 ARG 27 2HG ARG 27 6.119 16.177 -7.917 221 HG3 ARG 27 3HG ARG 27 7.623 17.050 -7.617 222 HD2 ARG 27 2HD ARG 27 8.762 15.156 -8.906 223 HD3 ARG 27 3HD ARG 27 7.140 14.712 -9.438 224 HE ARG 27 HE ARG 27 7.160 16.503 -10.860 225 HH11 ARG 27 1HH1 ARG 27 9.681 16.906 -8.494 226 HH12 ARG 27 2HH1 ARG 27 10.366 18.296 -9.270 227 HH21 ARG 27 1HH2 ARG 27 8.052 18.332 -11.891 228 HH22 ARG 27 2HH2 ARG 27 9.438 19.106 -11.201 229 H GLY 28 H GLY 28 4.974 12.830 -4.643 230 HA2 GLY 28 2HA GLY 28 5.369 11.002 -3.305 231 HA3 GLY 28 3HA GLY 28 6.791 10.680 -4.286 232 H LYS 29 H LYS 29 5.827 13.281 -2.044 233 HA LYS 29 HA LYS 29 6.931 14.274 -0.319 234 HB2 LYS 29 2HB LYS 29 8.175 11.540 0.025 235 HB3 LYS 29 3HB LYS 29 8.085 12.805 1.245 236 HG2 LYS 29 2HG LYS 29 6.049 12.178 1.862 237 HG3 LYS 29 3HG LYS 29 5.471 12.167 0.194 238 HD2 LYS 29 2HD LYS 29 5.235 9.950 0.673 239 HD3 LYS 29 3HD LYS 29 6.908 9.937 0.111 240 HE2 LYS 29 2HE LYS 29 7.348 8.918 2.058 241 HE3 LYS 29 3HE LYS 29 7.207 10.530 2.758 242 HZ1 LYS 29 3HZ LYS 29 4.872 8.737 2.462 243 HZ2 LYS 29 1HZ LYS 29 5.020 10.113 3.435 244 HZ3 LYS 29 2HZ LYS 29 5.862 8.701 3.833 245 H ALA 30 H ALA 30 8.104 14.601 -2.854 246 HA ALA 30 HA ALA 30 10.014 15.308 -3.874 247 HB1 ALA 30 3HB ALA 30 11.700 15.867 -1.666 248 HB2 ALA 30 1HB ALA 30 10.769 16.995 -2.651 249 HB3 ALA 30 2HB ALA 30 10.049 16.283 -1.207 Start of MODEL 2 1 H1 MET 1 H MET 1 2.362 0.324 0.425 2 HA MET 1 HA MET 1 3.213 -0.001 -1.679 3 HB2 MET 1 2HB MET 1 5.900 0.577 -0.418 4 HB3 MET 1 3HB MET 1 5.592 0.418 -2.142 5 HG2 MET 1 2HG MET 1 5.417 2.642 -2.091 6 HG3 MET 1 3HG MET 1 3.796 2.329 -1.474 7 HE1 MET 1 3HE MET 1 5.824 5.397 0.407 8 HE2 MET 1 1HE MET 1 6.635 4.623 -0.954 9 HE3 MET 1 2HE MET 1 4.927 5.047 -1.072 10 H LYS 2 H LYS 2 2.507 -2.164 -1.417 11 HA LYS 2 HA LYS 2 4.468 -4.123 -0.508 12 HB2 LYS 2 2HB LYS 2 1.593 -3.997 -0.643 13 HB3 LYS 2 3HB LYS 2 2.170 -5.438 -1.471 14 HG2 LYS 2 2HG LYS 2 3.116 -6.320 0.452 15 HG3 LYS 2 3HG LYS 2 3.178 -4.753 1.260 16 HD2 LYS 2 2HD LYS 2 0.464 -5.410 0.590 17 HD3 LYS 2 3HD LYS 2 1.199 -6.733 1.496 18 HE2 LYS 2 2HE LYS 2 0.385 -5.400 3.192 19 HE3 LYS 2 3HE LYS 2 2.046 -4.826 3.055 20 HZ1 LYS 2 3HZ LYS 2 -0.416 -3.437 2.546 21 HZ2 LYS 2 1HZ LYS 2 0.707 -3.267 1.293 22 HZ3 LYS 2 2HZ LYS 2 1.126 -2.821 2.870 23 H THR 3 H THR 3 2.583 -3.340 -3.410 24 HA THR 3 HA THR 3 4.648 -4.645 -5.027 25 HB THR 3 HB THR 3 2.784 -6.274 -4.722 26 HG1 THR 3 HG1 THR 3 3.927 -6.520 -6.598 27 HG21 THR 3 1HG2 THR 3 0.627 -5.781 -5.112 28 HG22 THR 3 2HG2 THR 3 1.005 -4.875 -6.577 29 HG23 THR 3 3HG2 THR 3 1.141 -4.099 -5.000 30 H ILE 4 H ILE 4 4.050 -1.867 -4.497 31 HA ILE 4 HA ILE 4 2.617 -0.726 -6.670 32 HB ILE 4 HB ILE 4 3.094 0.424 -4.484 33 HG12 ILE 4 2HG1 ILE 4 3.977 1.956 -6.938 34 HG13 ILE 4 3HG1 ILE 4 2.300 1.595 -6.547 35 HG21 ILE 4 1HG2 ILE 4 5.525 -0.238 -4.488 36 HG22 ILE 4 2HG2 ILE 4 5.784 1.028 -5.686 37 HG23 ILE 4 3HG2 ILE 4 5.194 1.445 -4.078 38 HD11 ILE 4 3HD1 ILE 4 2.241 3.498 -5.427 39 HD12 ILE 4 1HD1 ILE 4 3.343 2.778 -4.253 40 HD13 ILE 4 2HD1 ILE 4 3.981 3.718 -5.602 41 H LEU 5 H LEU 5 5.633 -2.205 -6.500 42 HA LEU 5 HA LEU 5 7.282 -0.733 -8.149 43 HB2 LEU 5 2HB LEU 5 8.522 -2.680 -8.495 44 HB3 LEU 5 3HB LEU 5 7.764 -2.904 -6.920 45 HG LEU 5 HG LEU 5 5.953 -4.164 -8.412 46 HD11 LEU 5 1HD1 LEU 5 6.634 -4.944 -10.405 47 HD12 LEU 5 2HD1 LEU 5 8.301 -5.153 -9.874 48 HD13 LEU 5 3HD1 LEU 5 7.725 -3.560 -10.364 49 HD21 LEU 5 3HD2 LEU 5 7.292 -5.031 -6.491 50 HD22 LEU 5 1HD2 LEU 5 8.562 -5.456 -7.639 51 HD23 LEU 5 2HD2 LEU 5 6.977 -6.220 -7.755 52 H ARG 6 H ARG 6 4.583 -2.811 -9.004 53 HA ARG 6 HA ARG 6 5.087 -2.786 -11.813 54 HB2 ARG 6 2HB ARG 6 2.997 -3.895 -12.046 55 HB3 ARG 6 3HB ARG 6 3.728 -4.511 -10.569 56 HG2 ARG 6 2HG ARG 6 1.645 -4.153 -9.776 57 HG3 ARG 6 3HG ARG 6 2.289 -2.531 -9.517 58 HD2 ARG 6 2HD ARG 6 0.495 -1.861 -10.684 59 HD3 ARG 6 3HD ARG 6 1.427 -2.369 -12.091 60 HE ARG 6 HE ARG 6 -0.011 -4.132 -12.370 61 HH11 ARG 6 1HH1 ARG 6 -0.481 -2.748 -9.211 62 HH12 ARG 6 2HH1 ARG 6 -1.902 -3.681 -8.871 63 HH21 ARG 6 1HH2 ARG 6 -1.879 -5.365 -11.934 64 HH22 ARG 6 2HH2 ARG 6 -2.695 -5.170 -10.420 65 H PHE 7 H PHE 7 3.283 -0.765 -9.598 66 HA PHE 7 HA PHE 7 1.883 0.679 -11.639 67 HB2 PHE 7 2HB PHE 7 0.877 0.574 -9.464 68 HB3 PHE 7 3HB PHE 7 2.328 1.214 -8.700 69 HD1 PHE 7 HD2 PHE 7 0.060 2.232 -11.489 70 HD2 PHE 7 HD1 PHE 7 2.133 3.362 -7.948 71 HE1 PHE 7 HE2 PHE 7 -0.845 4.511 -11.690 72 HE2 PHE 7 HE1 PHE 7 1.230 5.642 -8.142 73 HZ PHE 7 HZ PHE 7 -0.260 6.219 -10.016 74 H VAL 8 H VAL 8 4.597 1.477 -9.474 75 HA VAL 8 HA VAL 8 5.136 4.004 -10.597 76 HB VAL 8 HB VAL 8 7.012 2.142 -9.134 77 HG11 VAL 8 1HG1 VAL 8 8.333 4.154 -8.675 78 HG12 VAL 8 2HG1 VAL 8 8.233 3.822 -10.406 79 HG13 VAL 8 3HG1 VAL 8 7.245 5.097 -9.693 80 HG21 VAL 8 3HG2 VAL 8 6.249 4.329 -7.540 81 HG22 VAL 8 1HG2 VAL 8 4.770 3.696 -8.263 82 HG23 VAL 8 2HG2 VAL 8 5.818 2.632 -7.325 83 H ALA 9 H ALA 9 6.179 0.768 -11.440 84 HA ALA 9 HA ALA 9 8.366 1.270 -13.045 85 HB1 ALA 9 3HB ALA 9 6.201 -0.802 -13.285 86 HB2 ALA 9 1HB ALA 9 7.620 -0.777 -14.331 87 HB3 ALA 9 2HB ALA 9 7.812 -0.977 -12.589 88 H GLY 10 H GLY 10 4.936 1.239 -14.015 89 HA2 GLY 10 2HA GLY 10 5.481 2.017 -16.706 90 HA3 GLY 10 3HA GLY 10 3.906 2.011 -15.926 91 H TYR 11 H TYR 11 4.899 3.766 -13.746 92 HA TYR 11 HA TYR 11 4.256 6.256 -14.983 93 HB2 TYR 11 2HB TYR 11 3.737 5.493 -12.578 94 HB3 TYR 11 3HB TYR 11 5.394 5.956 -12.211 95 HD1 TYR 11 HD1 TYR 11 6.057 8.393 -12.981 96 HD2 TYR 11 HD2 TYR 11 2.065 7.071 -12.327 97 HE1 TYR 11 HE1 TYR 11 5.340 10.725 -12.671 98 HE2 TYR 11 HE2 TYR 11 1.338 9.400 -12.017 99 HH TYR 11 HH TYR 11 3.629 12.030 -11.825 100 H ASP 12 H ASP 12 7.209 4.697 -13.927 101 HA ASP 12 HA ASP 12 8.903 6.950 -14.021 102 HB2 ASP 12 2HB ASP 12 9.324 4.574 -13.047 103 HB3 ASP 12 3HB ASP 12 9.857 4.179 -14.679 104 H ILE 13 H ILE 13 7.667 4.819 -16.484 105 HA ILE 13 HA ILE 13 9.489 5.861 -18.499 106 HB ILE 13 HB ILE 13 7.214 3.893 -18.775 107 HG12 ILE 13 2HG1 ILE 13 9.895 2.872 -19.205 108 HG13 ILE 13 3HG1 ILE 13 9.727 3.559 -17.593 109 HG21 ILE 13 1HG2 ILE 13 7.675 5.059 -20.862 110 HG22 ILE 13 2HG2 ILE 13 9.386 4.659 -20.721 111 HG23 ILE 13 3HG2 ILE 13 8.198 3.377 -20.958 112 HD11 ILE 13 3HD1 ILE 13 8.640 1.103 -18.707 113 HD12 ILE 13 1HD1 ILE 13 8.927 1.562 -17.029 114 HD13 ILE 13 2HD1 ILE 13 7.447 2.070 -17.843 115 H ALA 14 H ALA 14 6.018 5.886 -17.772 116 HA ALA 14 HA ALA 14 5.220 7.416 -19.997 117 HB1 ALA 14 3HB ALA 14 3.890 7.253 -17.296 118 HB2 ALA 14 1HB ALA 14 3.143 7.767 -18.809 119 HB3 ALA 14 2HB ALA 14 3.672 6.095 -18.609 120 H SER 15 H SER 15 6.341 8.312 -16.780 121 HA SER 15 HA SER 15 5.740 11.085 -17.038 122 HB2 SER 15 2HB SER 15 5.945 10.212 -14.824 123 HB3 SER 15 3HB SER 15 7.544 9.550 -15.163 124 HG SER 15 HG SER 15 6.825 12.289 -14.997 125 H HIS 16 H HIS 16 8.406 9.067 -17.968 126 HA HIS 16 HA HIS 16 10.239 11.252 -18.384 127 HB2 HIS 16 2HB HIS 16 11.103 9.051 -17.774 128 HB3 HIS 16 3HB HIS 16 10.389 8.349 -19.222 129 HD1 HIS 16 HD1 HIS 16 11.618 8.709 -21.445 130 HD2 HIS 16 HD2 HIS 16 13.445 10.558 -18.204 131 HE1 HIS 16 HE1 HIS 16 13.889 9.414 -22.265 132 H LYS 17 H LYS 17 8.010 9.351 -20.306 133 HA LYS 17 HA LYS 17 8.940 10.379 -22.825 134 HB2 LYS 17 2HB LYS 17 7.027 8.400 -21.906 135 HB3 LYS 17 3HB LYS 17 6.357 9.385 -23.199 136 HG2 LYS 17 2HG LYS 17 7.341 7.842 -24.501 137 HG3 LYS 17 3HG LYS 17 8.770 8.845 -24.244 138 HD2 LYS 17 2HD LYS 17 9.795 7.265 -23.027 139 HD3 LYS 17 3HD LYS 17 8.325 6.874 -22.132 140 HE2 LYS 17 2HE LYS 17 9.017 4.944 -23.393 141 HE3 LYS 17 3HE LYS 17 7.530 5.585 -24.091 142 HZ1 LYS 17 3HZ LYS 17 10.077 6.509 -25.197 143 HZ2 LYS 17 1HZ LYS 17 8.591 6.264 -25.967 144 HZ3 LYS 17 2HZ LYS 17 9.572 4.942 -25.582 145 H LYS 18 H LYS 18 6.081 10.915 -20.781 146 HA LYS 18 HA LYS 18 5.167 13.083 -22.466 147 HB2 LYS 18 2HB LYS 18 4.145 11.890 -19.891 148 HB3 LYS 18 3HB LYS 18 3.416 13.309 -20.630 149 HG2 LYS 18 2HG LYS 18 3.768 11.010 -22.423 150 HG3 LYS 18 3HG LYS 18 2.628 10.772 -21.096 151 HD2 LYS 18 2HD LYS 18 1.835 13.193 -21.909 152 HD3 LYS 18 3HD LYS 18 2.479 12.584 -23.435 153 HE2 LYS 18 2HE LYS 18 0.506 11.584 -23.715 154 HE3 LYS 18 3HE LYS 18 1.014 10.459 -22.457 155 HZ1 LYS 18 3HZ LYS 18 0.055 12.654 -21.117 156 HZ2 LYS 18 1HZ LYS 18 -0.725 11.165 -21.302 157 HZ3 LYS 18 2HZ LYS 18 -1.040 12.425 -22.385 158 H LYS 19 H LYS 19 6.123 12.796 -19.039 159 HA LYS 19 HA LYS 19 7.072 14.274 -17.596 160 HB2 LYS 19 2HB LYS 19 8.773 14.319 -19.486 161 HB3 LYS 19 3HB LYS 19 8.002 15.805 -20.024 162 HG2 LYS 19 2HG LYS 19 8.428 16.584 -17.574 163 HG3 LYS 19 3HG LYS 19 9.630 15.292 -17.580 164 HD2 LYS 19 2HD LYS 19 10.757 16.281 -19.464 165 HD3 LYS 19 3HD LYS 19 9.489 17.498 -19.633 166 HE2 LYS 19 2HE LYS 19 10.879 18.776 -18.414 167 HE3 LYS 19 3HE LYS 19 10.222 17.872 -17.051 168 HZ1 LYS 19 3HZ LYS 19 12.230 17.072 -16.641 169 HZ2 LYS 19 1HZ LYS 19 12.868 17.984 -17.916 170 HZ3 LYS 19 2HZ LYS 19 12.328 16.405 -18.193 171 H THR 20 H THR 20 5.161 15.079 -16.745 172 HA THR 20 HA THR 20 4.730 17.853 -17.009 173 HB THR 20 HB THR 20 3.626 17.394 -19.085 174 HG1 THR 20 HG1 THR 20 1.391 17.953 -18.426 175 HG21 THR 20 1HG2 THR 20 1.657 15.849 -19.165 176 HG22 THR 20 2HG2 THR 20 2.098 15.293 -17.551 177 HG23 THR 20 3HG2 THR 20 3.202 15.040 -18.901 178 H GLY 21 H GLY 21 2.975 18.634 -15.627 179 HA2 GLY 21 2HA GLY 21 2.071 16.614 -13.675 180 HA3 GLY 21 3HA GLY 21 2.788 18.128 -13.145 181 H GLY 22 H GLY 22 0.183 16.983 -15.300 182 HA2 GLY 22 2HA GLY 22 -1.829 18.411 -13.902 183 HA3 GLY 22 3HA GLY 22 -1.329 19.314 -15.324 184 H TYR 23 H TYR 23 -3.092 16.607 -14.131 185 HA TYR 23 HA TYR 23 -3.449 15.097 -16.440 186 HB2 TYR 23 2HB TYR 23 -5.052 15.526 -13.958 187 HB3 TYR 23 3HB TYR 23 -5.799 14.668 -15.300 188 HD1 TYR 23 HD1 TYR 23 -3.781 12.985 -16.389 189 HD2 TYR 23 HD2 TYR 23 -4.414 14.041 -12.316 190 HE1 TYR 23 HE1 TYR 23 -2.668 10.908 -15.684 191 HE2 TYR 23 HE2 TYR 23 -3.301 11.967 -11.599 192 HH TYR 23 HH TYR 23 -2.071 10.211 -12.269 193 HA PRO 24 HA PRO 24 -6.031 17.397 -19.139 194 HB2 PRO 24 2HB PRO 24 -7.717 15.495 -20.094 195 HB3 PRO 24 3HB PRO 24 -6.011 15.583 -20.548 196 HG2 PRO 24 2HG PRO 24 -7.342 13.828 -18.522 197 HG3 PRO 24 3HG PRO 24 -6.096 13.414 -19.714 198 HD2 PRO 24 2HD PRO 24 -5.523 13.874 -17.107 199 HD3 PRO 24 3HD PRO 24 -4.395 14.272 -18.417 200 H TRP 25 H TRP 25 -7.613 15.453 -16.684 201 HA TRP 25 HA TRP 25 -10.054 17.057 -16.927 202 HB2 TRP 25 2HB TRP 25 -10.959 15.366 -15.262 203 HB3 TRP 25 3HB TRP 25 -10.541 14.732 -16.851 204 HD1 TRP 25 HD1 TRP 25 -8.862 12.765 -16.925 205 HE1 TRP 25 HE1 TRP 25 -7.458 11.513 -15.169 206 HE3 TRP 25 HE3 TRP 25 -9.633 15.850 -12.922 207 HZ2 TRP 25 HZ2 TRP 25 -6.769 11.795 -12.447 208 HZ3 TRP 25 HZ3 TRP 25 -8.566 15.287 -10.777 209 HH2 TRP 25 HH2 TRP 25 -7.164 13.301 -10.546 210 H GLU 26 H GLU 26 -7.234 16.732 -15.032 211 HA GLU 26 HA GLU 26 -8.421 18.084 -12.729 212 HB2 GLU 26 2HB GLU 26 -6.602 16.102 -12.804 213 HB3 GLU 26 3HB GLU 26 -5.517 17.486 -12.794 214 HG2 GLU 26 2HG GLU 26 -6.381 18.259 -10.726 215 HG3 GLU 26 3HG GLU 26 -7.711 17.103 -10.779 216 H ARG 27 H ARG 27 -8.388 19.618 -15.037 217 HA ARG 27 HA ARG 27 -6.315 21.616 -14.404 218 HB2 ARG 27 2HB ARG 27 -6.548 20.288 -16.786 219 HB3 ARG 27 3HB ARG 27 -7.485 21.743 -17.097 220 HG2 ARG 27 2HG ARG 27 -5.666 23.120 -16.932 221 HG3 ARG 27 3HG ARG 27 -4.791 22.016 -15.869 222 HD2 ARG 27 2HD ARG 27 -3.796 22.145 -18.117 223 HD3 ARG 27 3HD ARG 27 -4.359 20.521 -17.721 224 HE ARG 27 HE ARG 27 -6.439 21.753 -19.053 225 HH11 ARG 27 1HH1 ARG 27 -3.132 20.898 -19.726 226 HH12 ARG 27 2HH1 ARG 27 -3.396 20.685 -21.425 227 HH21 ARG 27 1HH2 ARG 27 -6.799 21.475 -21.289 228 HH22 ARG 27 2HH2 ARG 27 -5.481 21.014 -22.313 229 H GLY 28 H GLY 28 -8.994 21.349 -13.278 230 HA2 GLY 28 2HA GLY 28 -9.889 23.780 -12.836 231 HA3 GLY 28 3HA GLY 28 -10.453 23.581 -14.489 232 H LYS 29 H LYS 29 -11.947 21.817 -14.929 233 HA LYS 29 HA LYS 29 -13.898 21.586 -12.812 234 HB2 LYS 29 2HB LYS 29 -13.844 20.728 -15.699 235 HB3 LYS 29 3HB LYS 29 -15.158 20.279 -14.620 236 HG2 LYS 29 2HG LYS 29 -16.132 22.179 -15.219 237 HG3 LYS 29 3HG LYS 29 -14.913 23.003 -14.245 238 HD2 LYS 29 2HD LYS 29 -14.664 24.075 -16.266 239 HD3 LYS 29 3HD LYS 29 -13.467 22.787 -16.419 240 HE2 LYS 29 2HE LYS 29 -15.397 21.444 -17.492 241 HE3 LYS 29 3HE LYS 29 -16.174 23.015 -17.686 242 HZ1 LYS 29 3HZ LYS 29 -13.429 22.482 -18.658 243 HZ2 LYS 29 1HZ LYS 29 -14.456 23.761 -19.073 244 HZ3 LYS 29 2HZ LYS 29 -14.796 22.195 -19.613 245 H ALA 30 H ALA 30 -13.509 20.122 -11.272 246 HA ALA 30 HA ALA 30 -11.938 17.821 -11.529 247 HB1 ALA 30 3HB ALA 30 -12.214 18.485 -9.342 248 HB2 ALA 30 1HB ALA 30 -13.947 18.755 -9.529 249 HB3 ALA 30 2HB ALA 30 -13.316 17.111 -9.428 Start of MODEL 3 1 H1 MET 1 H MET 1 1.581 0.773 -0.482 2 HA MET 1 HA MET 1 0.283 -1.597 -0.884 3 HB2 MET 1 2HB MET 1 0.771 -0.138 -3.468 4 HB3 MET 1 3HB MET 1 0.720 -1.894 -3.409 5 HG2 MET 1 2HG MET 1 -1.505 -0.119 -2.442 6 HG3 MET 1 3HG MET 1 -1.419 -0.804 -4.063 7 HE1 MET 1 3HE MET 1 -1.411 -4.305 -3.847 8 HE2 MET 1 1HE MET 1 -3.043 -3.695 -4.123 9 HE3 MET 1 2HE MET 1 -1.654 -2.820 -4.766 10 H LYS 2 H LYS 2 1.693 -3.356 -1.338 11 HA LYS 2 HA LYS 2 4.492 -2.686 -0.883 12 HB2 LYS 2 2HB LYS 2 2.996 -5.310 -0.814 13 HB3 LYS 2 3HB LYS 2 4.727 -5.165 -0.539 14 HG2 LYS 2 2HG LYS 2 3.033 -3.416 1.111 15 HG3 LYS 2 3HG LYS 2 2.879 -5.148 1.417 16 HD2 LYS 2 2HD LYS 2 4.788 -5.133 2.555 17 HD3 LYS 2 3HD LYS 2 5.645 -4.513 1.142 18 HE2 LYS 2 2HE LYS 2 4.857 -2.219 1.806 19 HE3 LYS 2 3HE LYS 2 4.273 -2.931 3.309 20 HZ1 LYS 2 3HZ LYS 2 6.820 -3.824 3.167 21 HZ2 LYS 2 1HZ LYS 2 6.308 -2.484 4.065 22 HZ3 LYS 2 2HZ LYS 2 6.957 -2.268 2.518 23 H THR 3 H THR 3 2.414 -3.962 -3.358 24 HA THR 3 HA THR 3 4.728 -4.647 -5.029 25 HB THR 3 HB THR 3 2.938 -6.352 -4.809 26 HG1 THR 3 HG1 THR 3 3.520 -6.889 -6.764 27 HG21 THR 3 1HG2 THR 3 1.095 -4.582 -4.712 28 HG22 THR 3 2HG2 THR 3 0.764 -6.036 -5.653 29 HG23 THR 3 3HG2 THR 3 1.210 -4.538 -6.470 30 H ILE 4 H ILE 4 4.107 -1.904 -4.508 31 HA ILE 4 HA ILE 4 2.652 -0.757 -6.662 32 HB ILE 4 HB ILE 4 3.136 0.379 -4.472 33 HG12 ILE 4 2HG1 ILE 4 3.992 1.935 -6.921 34 HG13 ILE 4 3HG1 ILE 4 2.320 1.559 -6.520 35 HG21 ILE 4 1HG2 ILE 4 5.815 1.010 -5.688 36 HG22 ILE 4 2HG2 ILE 4 5.232 1.415 -4.075 37 HG23 ILE 4 3HG2 ILE 4 5.571 -0.264 -4.493 38 HD11 ILE 4 3HD1 ILE 4 3.111 2.718 -4.225 39 HD12 ILE 4 1HD1 ILE 4 4.135 3.567 -5.382 40 HD13 ILE 4 2HD1 ILE 4 2.382 3.591 -5.574 41 H LEU 5 H LEU 5 5.679 -2.218 -6.522 42 HA LEU 5 HA LEU 5 7.306 -0.723 -8.173 43 HB2 LEU 5 2HB LEU 5 8.556 -2.659 -8.542 44 HB3 LEU 5 3HB LEU 5 7.811 -2.900 -6.962 45 HG LEU 5 HG LEU 5 5.998 -4.162 -8.452 46 HD11 LEU 5 1HD1 LEU 5 6.666 -4.914 -10.457 47 HD12 LEU 5 2HD1 LEU 5 8.337 -5.133 -9.936 48 HD13 LEU 5 3HD1 LEU 5 7.762 -3.533 -10.408 49 HD21 LEU 5 3HD2 LEU 5 8.636 -5.360 -7.613 50 HD22 LEU 5 1HD2 LEU 5 7.132 -6.238 -7.893 51 HD23 LEU 5 2HD2 LEU 5 7.247 -5.090 -6.558 52 H ARG 6 H ARG 6 4.615 -2.813 -9.025 53 HA ARG 6 HA ARG 6 5.100 -2.764 -11.837 54 HB2 ARG 6 2HB ARG 6 2.996 -3.869 -12.061 55 HB3 ARG 6 3HB ARG 6 3.768 -4.516 -10.619 56 HG2 ARG 6 2HG ARG 6 1.727 -4.183 -9.733 57 HG3 ARG 6 3HG ARG 6 2.337 -2.543 -9.507 58 HD2 ARG 6 2HD ARG 6 0.517 -1.899 -10.637 59 HD3 ARG 6 3HD ARG 6 1.375 -2.467 -12.069 60 HE ARG 6 HE ARG 6 -0.083 -4.229 -12.206 61 HH11 ARG 6 1HH1 ARG 6 -0.363 -2.746 -9.069 62 HH12 ARG 6 2HH1 ARG 6 -1.757 -3.668 -8.614 63 HH21 ARG 6 1HH2 ARG 6 -1.918 -5.448 -11.619 64 HH22 ARG 6 2HH2 ARG 6 -2.641 -5.205 -10.064 65 H PHE 7 H PHE 7 3.298 -0.773 -9.594 66 HA PHE 7 HA PHE 7 1.873 0.677 -11.615 67 HB2 PHE 7 2HB PHE 7 0.883 0.549 -9.435 68 HB3 PHE 7 3HB PHE 7 2.335 1.194 -8.676 69 HD1 PHE 7 HD2 PHE 7 0.039 2.215 -11.439 70 HD2 PHE 7 HD1 PHE 7 2.133 3.335 -7.908 71 HE1 PHE 7 HE2 PHE 7 -0.883 4.489 -11.619 72 HE2 PHE 7 HE1 PHE 7 1.214 5.611 -8.080 73 HZ PHE 7 HZ PHE 7 -0.295 6.191 -9.938 74 H VAL 8 H VAL 8 4.599 1.475 -9.465 75 HA VAL 8 HA VAL 8 5.112 4.015 -10.575 76 HB VAL 8 HB VAL 8 7.011 2.155 -9.137 77 HG11 VAL 8 1HG1 VAL 8 8.212 3.850 -10.405 78 HG12 VAL 8 2HG1 VAL 8 7.221 5.116 -9.677 79 HG13 VAL 8 3HG1 VAL 8 8.323 4.171 -8.674 80 HG21 VAL 8 3HG2 VAL 8 6.244 4.327 -7.523 81 HG22 VAL 8 1HG2 VAL 8 4.764 3.689 -8.239 82 HG23 VAL 8 2HG2 VAL 8 5.826 2.626 -7.316 83 H ALA 9 H ALA 9 6.170 0.791 -11.447 84 HA ALA 9 HA ALA 9 8.344 1.318 -13.061 85 HB1 ALA 9 3HB ALA 9 7.805 -0.936 -12.618 86 HB2 ALA 9 1HB ALA 9 6.188 -0.764 -13.303 87 HB3 ALA 9 2HB ALA 9 7.602 -0.726 -14.357 88 H GLY 10 H GLY 10 4.907 1.273 -14.009 89 HA2 GLY 10 2HA GLY 10 5.428 2.074 -16.699 90 HA3 GLY 10 3HA GLY 10 3.861 2.052 -15.908 91 H TYR 11 H TYR 11 4.857 3.798 -13.723 92 HA TYR 11 HA TYR 11 4.189 6.292 -14.937 93 HB2 TYR 11 2HB TYR 11 3.691 5.515 -12.537 94 HB3 TYR 11 3HB TYR 11 5.351 5.973 -12.176 95 HD1 TYR 11 HD1 TYR 11 6.012 8.415 -12.927 96 HD2 TYR 11 HD2 TYR 11 2.023 7.093 -12.261 97 HE1 TYR 11 HE1 TYR 11 5.301 10.746 -12.591 98 HE2 TYR 11 HE2 TYR 11 1.301 9.420 -11.926 99 HH TYR 11 HH TYR 11 3.553 12.013 -11.603 100 H ASP 12 H ASP 12 7.162 4.746 -13.913 101 HA ASP 12 HA ASP 12 8.841 7.009 -14.008 102 HB2 ASP 12 2HB ASP 12 9.288 4.635 -13.048 103 HB3 ASP 12 3HB ASP 12 9.802 4.246 -14.688 104 H ILE 13 H ILE 13 7.749 4.754 -16.467 105 HA ILE 13 HA ILE 13 9.501 5.853 -18.488 106 HB ILE 13 HB ILE 13 7.221 3.892 -18.761 107 HG12 ILE 13 2HG1 ILE 13 9.891 2.857 -19.203 108 HG13 ILE 13 3HG1 ILE 13 9.744 3.554 -17.593 109 HG21 ILE 13 1HG2 ILE 13 7.682 5.062 -20.847 110 HG22 ILE 13 2HG2 ILE 13 9.390 4.648 -20.713 111 HG23 ILE 13 3HG2 ILE 13 8.191 3.376 -20.947 112 HD11 ILE 13 3HD1 ILE 13 8.918 1.582 -16.994 113 HD12 ILE 13 1HD1 ILE 13 7.447 2.071 -17.835 114 HD13 ILE 13 2HD1 ILE 13 8.654 1.089 -18.667 115 H ALA 14 H ALA 14 6.008 5.822 -17.832 116 HA ALA 14 HA ALA 14 5.205 7.360 -20.027 117 HB1 ALA 14 3HB ALA 14 3.206 7.910 -18.575 118 HB2 ALA 14 1HB ALA 14 3.536 6.197 -18.835 119 HB3 ALA 14 2HB ALA 14 3.984 6.961 -17.309 120 H SER 15 H SER 15 6.282 8.316 -16.801 121 HA SER 15 HA SER 15 5.746 11.093 -17.162 122 HB2 SER 15 2HB SER 15 5.978 9.891 -14.940 123 HB3 SER 15 3HB SER 15 7.719 9.887 -15.216 124 HG SER 15 HG SER 15 6.185 11.856 -14.263 125 H HIS 16 H HIS 16 8.439 8.997 -17.863 126 HA HIS 16 HA HIS 16 10.320 11.130 -18.291 127 HB2 HIS 16 2HB HIS 16 11.180 8.989 -17.600 128 HB3 HIS 16 3HB HIS 16 10.405 8.183 -18.960 129 HD1 HIS 16 HD1 HIS 16 11.566 8.340 -21.249 130 HD2 HIS 16 HD2 HIS 16 13.557 10.361 -18.213 131 HE1 HIS 16 HE1 HIS 16 13.831 8.900 -22.186 132 H LYS 17 H LYS 17 8.127 9.227 -20.251 133 HA LYS 17 HA LYS 17 9.181 10.161 -22.757 134 HB2 LYS 17 2HB LYS 17 7.328 8.174 -21.890 135 HB3 LYS 17 3HB LYS 17 6.511 9.210 -23.054 136 HG2 LYS 17 2HG LYS 17 7.567 8.238 -24.737 137 HG3 LYS 17 3HG LYS 17 9.137 8.565 -24.002 138 HD2 LYS 17 2HD LYS 17 9.333 6.471 -23.198 139 HD3 LYS 17 3HD LYS 17 7.628 6.380 -22.748 140 HE2 LYS 17 2HE LYS 17 8.282 6.365 -25.641 141 HE3 LYS 17 3HE LYS 17 8.680 4.919 -24.715 142 HZ1 LYS 17 3HZ LYS 17 6.067 6.043 -25.371 143 HZ2 LYS 17 1HZ LYS 17 6.227 5.294 -23.863 144 HZ3 LYS 17 2HZ LYS 17 6.556 4.426 -25.277 145 H LYS 18 H LYS 18 6.080 10.684 -21.067 146 HA LYS 18 HA LYS 18 5.365 12.872 -22.772 147 HB2 LYS 18 2HB LYS 18 4.182 11.822 -20.200 148 HB3 LYS 18 3HB LYS 18 3.499 13.171 -21.097 149 HG2 LYS 18 2HG LYS 18 3.984 10.716 -22.649 150 HG3 LYS 18 3HG LYS 18 2.729 10.618 -21.411 151 HD2 LYS 18 2HD LYS 18 2.225 13.035 -22.641 152 HD3 LYS 18 3HD LYS 18 2.719 11.994 -23.978 153 HE2 LYS 18 2HE LYS 18 1.057 10.331 -22.660 154 HE3 LYS 18 3HE LYS 18 0.321 11.883 -22.264 155 HZ1 LYS 18 3HZ LYS 18 1.036 11.295 -25.054 156 HZ2 LYS 18 1HZ LYS 18 -0.179 12.306 -24.447 157 HZ3 LYS 18 2HZ LYS 18 -0.376 10.626 -24.405 158 H LYS 19 H LYS 19 6.092 12.684 -19.283 159 HA LYS 19 HA LYS 19 6.887 14.227 -17.811 160 HB2 LYS 19 2HB LYS 19 8.841 13.991 -19.383 161 HB3 LYS 19 3HB LYS 19 8.265 15.428 -20.216 162 HG2 LYS 19 2HG LYS 19 8.733 16.815 -18.398 163 HG3 LYS 19 3HG LYS 19 8.843 15.457 -17.277 164 HD2 LYS 19 2HD LYS 19 10.741 15.495 -19.554 165 HD3 LYS 19 3HD LYS 19 10.995 16.681 -18.272 166 HE2 LYS 19 2HE LYS 19 10.522 14.376 -16.867 167 HE3 LYS 19 3HE LYS 19 11.409 13.786 -18.272 168 HZ1 LYS 19 3HZ LYS 19 13.293 14.710 -17.554 169 HZ2 LYS 19 1HZ LYS 19 12.529 14.835 -16.049 170 HZ3 LYS 19 2HZ LYS 19 12.543 16.158 -17.103 171 H THR 20 H THR 20 4.794 15.128 -17.471 172 HA THR 20 HA THR 20 4.647 17.925 -18.279 173 HB THR 20 HB THR 20 3.283 17.002 -19.988 174 HG1 THR 20 HG1 THR 20 1.684 18.329 -19.572 175 HG21 THR 20 1HG2 THR 20 1.404 15.465 -19.502 176 HG22 THR 20 2HG2 THR 20 1.939 15.380 -17.825 177 HG23 THR 20 3HG2 THR 20 2.974 14.765 -19.112 178 H GLY 21 H GLY 21 3.379 19.224 -16.894 179 HA2 GLY 21 2HA GLY 21 2.200 17.929 -14.548 180 HA3 GLY 21 3HA GLY 21 3.518 19.060 -14.276 181 H GLY 22 H GLY 22 0.837 19.225 -16.600 182 HA2 GLY 22 2HA GLY 22 -1.124 20.575 -16.260 183 HA3 GLY 22 3HA GLY 22 -0.204 21.552 -15.125 184 H TYR 23 H TYR 23 -1.369 21.337 -18.259 185 HA TYR 23 HA TYR 23 0.557 22.622 -19.799 186 HB2 TYR 23 2HB TYR 23 -2.418 22.400 -19.938 187 HB3 TYR 23 3HB TYR 23 -1.613 23.551 -20.998 188 HD1 TYR 23 HD1 TYR 23 0.763 22.275 -21.900 189 HD2 TYR 23 HD2 TYR 23 -3.033 20.519 -21.120 190 HE1 TYR 23 HE1 TYR 23 1.284 20.462 -23.478 191 HE2 TYR 23 HE2 TYR 23 -2.522 18.701 -22.695 192 HH TYR 23 HH TYR 23 -0.894 17.718 -23.908 193 HA PRO 24 HA PRO 24 0.712 26.812 -18.510 194 HB2 PRO 24 2HB PRO 24 0.886 28.141 -20.872 195 HB3 PRO 24 3HB PRO 24 2.214 27.178 -20.211 196 HG2 PRO 24 2HG PRO 24 0.210 26.451 -22.312 197 HG3 PRO 24 3HG PRO 24 1.957 26.149 -22.280 198 HD2 PRO 24 2HD PRO 24 0.137 24.244 -21.652 199 HD3 PRO 24 3HD PRO 24 1.741 24.318 -20.896 200 H TRP 25 H TRP 25 -1.736 25.953 -20.870 201 HA TRP 25 HA TRP 25 -3.289 28.344 -20.192 202 HB2 TRP 25 2HB TRP 25 -4.777 27.535 -22.084 203 HB3 TRP 25 3HB TRP 25 -3.151 28.032 -22.543 204 HD1 TRP 25 HD1 TRP 25 -1.711 26.302 -23.822 205 HE1 TRP 25 HE1 TRP 25 -2.024 23.844 -24.517 206 HE3 TRP 25 HE3 TRP 25 -5.955 25.244 -21.174 207 HZ2 TRP 25 HZ2 TRP 25 -3.831 21.735 -24.010 208 HZ3 TRP 25 HZ3 TRP 25 -6.911 22.983 -21.334 209 HH2 TRP 25 HH2 TRP 25 -5.870 21.266 -22.724 210 H GLU 26 H GLU 26 -3.085 25.001 -19.535 211 HA GLU 26 HA GLU 26 -5.869 24.821 -18.670 212 HB2 GLU 26 2HB GLU 26 -4.355 22.985 -19.898 213 HB3 GLU 26 3HB GLU 26 -3.972 22.575 -18.232 214 HG2 GLU 26 2HG GLU 26 -6.300 22.207 -17.739 215 HG3 GLU 26 3HG GLU 26 -6.760 22.748 -19.352 216 H ARG 27 H ARG 27 -4.553 26.666 -17.191 217 HA ARG 27 HA ARG 27 -3.790 25.322 -14.696 218 HB2 ARG 27 2HB ARG 27 -3.288 28.074 -15.792 219 HB3 ARG 27 3HB ARG 27 -3.125 27.749 -14.071 220 HG2 ARG 27 2HG ARG 27 -1.726 25.781 -15.661 221 HG3 ARG 27 3HG ARG 27 -1.184 27.423 -16.017 222 HD2 ARG 27 2HD ARG 27 -1.405 26.264 -13.244 223 HD3 ARG 27 3HD ARG 27 0.084 26.307 -14.187 224 HE ARG 27 HE ARG 27 -0.749 28.895 -14.156 225 HH11 ARG 27 1HH1 ARG 27 -0.118 26.512 -11.698 226 HH12 ARG 27 2HH1 ARG 27 0.363 27.676 -10.509 227 HH21 ARG 27 1HH2 ARG 27 -0.116 30.438 -12.599 228 HH22 ARG 27 2HH2 ARG 27 0.363 29.909 -11.022 229 H GLY 28 H GLY 28 -6.541 25.453 -15.553 230 HA2 GLY 28 2HA GLY 28 -7.681 27.373 -13.630 231 HA3 GLY 28 3HA GLY 28 -8.551 26.651 -14.976 232 H LYS 29 H LYS 29 -6.499 24.622 -13.087 233 HA LYS 29 HA LYS 29 -6.951 22.784 -11.818 234 HB2 LYS 29 2HB LYS 29 -7.586 24.821 -10.328 235 HB3 LYS 29 3HB LYS 29 -9.242 24.297 -10.604 236 HG2 LYS 29 2HG LYS 29 -8.913 23.070 -8.763 237 HG3 LYS 29 3HG LYS 29 -8.086 21.963 -9.863 238 HD2 LYS 29 2HD LYS 29 -6.365 22.186 -8.433 239 HD3 LYS 29 3HD LYS 29 -6.093 23.715 -9.271 240 HE2 LYS 29 2HE LYS 29 -7.771 24.666 -7.534 241 HE3 LYS 29 3HE LYS 29 -7.389 23.208 -6.621 242 HZ1 LYS 29 3HZ LYS 29 -6.020 25.337 -6.223 243 HZ2 LYS 29 1HZ LYS 29 -5.220 24.912 -7.651 244 HZ3 LYS 29 2HZ LYS 29 -5.211 23.856 -6.331 245 H ALA 30 H ALA 30 -7.718 21.764 -13.843 246 HA ALA 30 HA ALA 30 -10.349 20.638 -13.422 247 HB1 ALA 30 3HB ALA 30 -11.392 22.026 -14.823 248 HB2 ALA 30 1HB ALA 30 -9.873 22.678 -15.440 249 HB3 ALA 30 2HB ALA 30 -10.532 21.187 -16.114 Start of MODEL 4 1 H1 MET 1 H MET 1 1.773 1.287 -1.793 2 HA MET 1 HA MET 1 0.744 -1.380 -1.150 3 HB2 MET 1 2HB MET 1 1.200 0.070 -3.752 4 HB3 MET 1 3HB MET 1 0.849 -1.652 -3.689 5 HG2 MET 1 2HG MET 1 -1.315 -1.249 -3.526 6 HG3 MET 1 3HG MET 1 -1.058 -0.247 -2.100 7 HE1 MET 1 3HE MET 1 -1.485 0.998 -6.445 8 HE2 MET 1 1HE MET 1 0.201 0.788 -5.974 9 HE3 MET 1 2HE MET 1 -0.934 -0.552 -5.807 10 H LYS 2 H LYS 2 2.091 -3.013 -0.823 11 HA LYS 2 HA LYS 2 4.890 -2.752 -0.955 12 HB2 LYS 2 2HB LYS 2 4.986 -5.075 -0.352 13 HB3 LYS 2 3HB LYS 2 3.653 -4.336 0.526 14 HG2 LYS 2 2HG LYS 2 2.192 -5.206 -1.414 15 HG3 LYS 2 3HG LYS 2 3.569 -6.252 -1.768 16 HD2 LYS 2 2HD LYS 2 3.480 -7.031 0.609 17 HD3 LYS 2 3HD LYS 2 1.979 -6.120 0.790 18 HE2 LYS 2 2HE LYS 2 1.023 -8.068 0.187 19 HE3 LYS 2 3HE LYS 2 1.428 -7.534 -1.443 20 HZ1 LYS 2 3HZ LYS 2 3.588 -8.760 -1.121 21 HZ2 LYS 2 1HZ LYS 2 2.206 -9.728 -1.259 22 HZ3 LYS 2 2HZ LYS 2 2.901 -9.458 0.259 23 H THR 3 H THR 3 2.530 -3.799 -3.275 24 HA THR 3 HA THR 3 4.657 -4.701 -5.093 25 HB THR 3 HB THR 3 2.760 -6.270 -4.687 26 HG1 THR 3 HG1 THR 3 3.883 -6.421 -6.647 27 HG21 THR 3 1HG2 THR 3 0.573 -5.817 -5.484 28 HG22 THR 3 2HG2 THR 3 1.094 -4.336 -6.287 29 HG23 THR 3 3HG2 THR 3 1.042 -4.413 -4.527 30 H ILE 4 H ILE 4 4.076 -1.890 -4.509 31 HA ILE 4 HA ILE 4 2.627 -0.748 -6.672 32 HB ILE 4 HB ILE 4 3.101 0.395 -4.484 33 HG12 ILE 4 2HG1 ILE 4 3.971 1.942 -6.933 34 HG13 ILE 4 3HG1 ILE 4 2.296 1.570 -6.540 35 HG21 ILE 4 1HG2 ILE 4 5.536 -0.253 -4.493 36 HG22 ILE 4 2HG2 ILE 4 5.786 1.018 -5.688 37 HG23 ILE 4 3HG2 ILE 4 5.196 1.426 -4.077 38 HD11 ILE 4 3HD1 ILE 4 3.235 2.739 -4.237 39 HD12 ILE 4 1HD1 ILE 4 4.035 3.653 -5.517 40 HD13 ILE 4 2HD1 ILE 4 2.275 3.525 -5.490 41 H LEU 5 H LEU 5 5.651 -2.211 -6.512 42 HA LEU 5 HA LEU 5 7.288 -0.725 -8.160 43 HB2 LEU 5 2HB LEU 5 8.538 -2.664 -8.516 44 HB3 LEU 5 3HB LEU 5 7.785 -2.898 -6.939 45 HG LEU 5 HG LEU 5 5.978 -4.162 -8.433 46 HD11 LEU 5 1HD1 LEU 5 8.080 -5.364 -9.929 47 HD12 LEU 5 2HD1 LEU 5 8.051 -3.636 -10.278 48 HD13 LEU 5 3HD1 LEU 5 6.598 -4.606 -10.512 49 HD21 LEU 5 3HD2 LEU 5 8.607 -5.251 -7.443 50 HD22 LEU 5 1HD2 LEU 5 7.251 -6.255 -7.955 51 HD23 LEU 5 2HD2 LEU 5 7.076 -5.179 -6.569 52 H ARG 6 H ARG 6 4.600 -2.814 -9.017 53 HA ARG 6 HA ARG 6 5.099 -2.776 -11.827 54 HB2 ARG 6 2HB ARG 6 2.998 -3.882 -12.059 55 HB3 ARG 6 3HB ARG 6 3.757 -4.521 -10.607 56 HG2 ARG 6 2HG ARG 6 1.718 -4.178 -9.730 57 HG3 ARG 6 3HG ARG 6 2.317 -2.530 -9.527 58 HD2 ARG 6 2HD ARG 6 0.305 -2.137 -10.560 59 HD3 ARG 6 3HD ARG 6 1.384 -2.215 -11.951 60 HE ARG 6 HE ARG 6 0.404 -4.785 -11.467 61 HH11 ARG 6 1HH1 ARG 6 -0.755 -1.663 -12.483 62 HH12 ARG 6 2HH1 ARG 6 -2.050 -2.309 -13.437 63 HH21 ARG 6 1HH2 ARG 6 -1.296 -5.647 -12.719 64 HH22 ARG 6 2HH2 ARG 6 -2.357 -4.575 -13.570 65 H PHE 7 H PHE 7 3.287 -0.775 -9.601 66 HA PHE 7 HA PHE 7 1.874 0.670 -11.634 67 HB2 PHE 7 2HB PHE 7 0.874 0.551 -9.458 68 HB3 PHE 7 3HB PHE 7 2.323 1.196 -8.694 69 HD1 PHE 7 HD2 PHE 7 0.042 2.210 -11.475 70 HD2 PHE 7 HD1 PHE 7 2.117 3.340 -7.934 71 HE1 PHE 7 HE2 PHE 7 -0.878 4.484 -11.665 72 HE2 PHE 7 HE1 PHE 7 1.202 5.616 -8.120 73 HZ PHE 7 HZ PHE 7 -0.297 6.191 -9.988 74 H VAL 8 H VAL 8 4.590 1.473 -9.472 75 HA VAL 8 HA VAL 8 5.112 4.008 -10.588 76 HB VAL 8 HB VAL 8 7.001 2.150 -9.134 77 HG11 VAL 8 1HG1 VAL 8 7.216 5.109 -9.686 78 HG12 VAL 8 2HG1 VAL 8 8.312 4.169 -8.671 79 HG13 VAL 8 3HG1 VAL 8 8.211 3.841 -10.402 80 HG21 VAL 8 3HG2 VAL 8 4.752 3.693 -8.253 81 HG22 VAL 8 1HG2 VAL 8 5.807 2.629 -7.323 82 HG23 VAL 8 2HG2 VAL 8 6.229 4.328 -7.531 83 H ALA 9 H ALA 9 6.171 0.780 -11.444 84 HA ALA 9 HA ALA 9 8.352 1.299 -13.050 85 HB1 ALA 9 3HB ALA 9 6.197 -0.783 -13.294 86 HB2 ALA 9 1HB ALA 9 7.615 -0.747 -14.343 87 HB3 ALA 9 2HB ALA 9 7.810 -0.954 -12.602 88 H GLY 10 H GLY 10 4.921 1.255 -14.016 89 HA2 GLY 10 2HA GLY 10 5.459 2.046 -16.704 90 HA3 GLY 10 3HA GLY 10 3.886 2.030 -15.922 91 H TYR 11 H TYR 11 4.873 3.781 -13.736 92 HA TYR 11 HA TYR 11 4.216 6.272 -14.963 93 HB2 TYR 11 2HB TYR 11 3.701 5.503 -12.563 94 HB3 TYR 11 3HB TYR 11 5.361 5.961 -12.194 95 HD1 TYR 11 HD1 TYR 11 6.025 8.401 -12.956 96 HD2 TYR 11 HD2 TYR 11 2.035 7.082 -12.295 97 HE1 TYR 11 HE1 TYR 11 5.314 10.734 -12.633 98 HE2 TYR 11 HE2 TYR 11 1.312 9.410 -11.972 99 HH TYR 11 HH TYR 11 3.268 12.071 -12.774 100 H ASP 12 H ASP 12 7.179 4.728 -13.913 101 HA ASP 12 HA ASP 12 8.862 6.987 -14.004 102 HB2 ASP 12 2HB ASP 12 9.299 4.612 -13.040 103 HB3 ASP 12 3HB ASP 12 9.826 4.222 -14.676 104 H ILE 13 H ILE 13 7.705 4.792 -16.471 105 HA ILE 13 HA ILE 13 9.495 5.866 -18.485 106 HB ILE 13 HB ILE 13 7.215 3.905 -18.765 107 HG12 ILE 13 2HG1 ILE 13 9.891 2.876 -19.200 108 HG13 ILE 13 3HG1 ILE 13 9.732 3.565 -17.588 109 HG21 ILE 13 1HG2 ILE 13 8.267 3.376 -20.943 110 HG22 ILE 13 2HG2 ILE 13 7.629 5.018 -20.859 111 HG23 ILE 13 3HG2 ILE 13 9.364 4.737 -20.707 112 HD11 ILE 13 3HD1 ILE 13 7.438 2.077 -17.858 113 HD12 ILE 13 1HD1 ILE 13 8.657 1.102 -18.678 114 HD13 ILE 13 2HD1 ILE 13 8.901 1.592 -17.001 115 H ALA 14 H ALA 14 6.007 5.854 -17.811 116 HA ALA 14 HA ALA 14 5.214 7.396 -20.016 117 HB1 ALA 14 3HB ALA 14 3.416 6.401 -19.025 118 HB2 ALA 14 1HB ALA 14 4.009 6.700 -17.391 119 HB3 ALA 14 2HB ALA 14 3.283 8.012 -18.320 120 H SER 15 H SER 15 6.307 8.318 -16.791 121 HA SER 15 HA SER 15 5.741 11.095 -17.101 122 HB2 SER 15 2HB SER 15 6.832 11.396 -15.011 123 HB3 SER 15 3HB SER 15 6.035 9.827 -14.905 124 HG SER 15 HG SER 15 8.406 10.117 -14.274 125 H HIS 16 H HIS 16 8.416 9.032 -17.917 126 HA HIS 16 HA HIS 16 10.266 11.206 -18.346 127 HB2 HIS 16 2HB HIS 16 10.355 8.262 -18.441 128 HB3 HIS 16 3HB HIS 16 11.392 9.068 -19.614 129 HD1 HIS 16 HD1 HIS 16 13.680 9.203 -18.714 130 HD2 HIS 16 HD2 HIS 16 10.829 9.778 -15.748 131 HE1 HIS 16 HE1 HIS 16 14.981 9.648 -16.608 132 H LYS 17 H LYS 17 8.042 9.297 -20.241 133 HA LYS 17 HA LYS 17 9.065 10.164 -22.782 134 HB2 LYS 17 2HB LYS 17 7.203 8.222 -21.848 135 HB3 LYS 17 3HB LYS 17 6.369 9.257 -22.999 136 HG2 LYS 17 2HG LYS 17 7.211 7.605 -24.357 137 HG3 LYS 17 3HG LYS 17 8.454 8.850 -24.487 138 HD2 LYS 17 2HD LYS 17 9.948 7.678 -23.157 139 HD3 LYS 17 3HD LYS 17 8.675 6.722 -22.396 140 HE2 LYS 17 2HE LYS 17 8.430 5.349 -24.286 141 HE3 LYS 17 3HE LYS 17 9.308 6.474 -25.322 142 HZ1 LYS 17 3HZ LYS 17 10.327 4.466 -23.476 143 HZ2 LYS 17 1HZ LYS 17 11.189 5.921 -23.551 144 HZ3 LYS 17 2HZ LYS 17 10.958 5.002 -24.952 145 H LYS 18 H LYS 18 5.966 10.741 -21.106 146 HA LYS 18 HA LYS 18 5.347 12.974 -22.809 147 HB2 LYS 18 2HB LYS 18 4.018 11.584 -20.529 148 HB3 LYS 18 3HB LYS 18 3.503 13.221 -20.916 149 HG2 LYS 18 2HG LYS 18 3.196 12.398 -23.300 150 HG3 LYS 18 3HG LYS 18 3.366 10.769 -22.639 151 HD2 LYS 18 2HD LYS 18 1.529 12.130 -20.989 152 HD3 LYS 18 3HD LYS 18 1.071 12.484 -22.657 153 HE2 LYS 18 2HE LYS 18 1.511 9.862 -22.892 154 HE3 LYS 18 3HE LYS 18 1.080 9.911 -21.183 155 HZ1 LYS 18 3HZ LYS 18 -0.649 11.361 -23.031 156 HZ2 LYS 18 1HZ LYS 18 -1.045 10.485 -21.640 157 HZ3 LYS 18 2HZ LYS 18 -0.719 9.672 -23.086 158 H LYS 19 H LYS 19 5.960 12.640 -19.311 159 HA LYS 19 HA LYS 19 6.791 14.088 -17.765 160 HB2 LYS 19 2HB LYS 19 8.603 14.142 -19.641 161 HB3 LYS 19 3HB LYS 19 7.972 15.751 -19.965 162 HG2 LYS 19 2HG LYS 19 8.445 15.414 -17.152 163 HG3 LYS 19 3HG LYS 19 9.895 15.020 -18.077 164 HD2 LYS 19 2HD LYS 19 9.569 17.194 -19.305 165 HD3 LYS 19 3HD LYS 19 8.311 17.584 -18.129 166 HE2 LYS 19 2HE LYS 19 9.883 18.366 -16.770 167 HE3 LYS 19 3HE LYS 19 10.552 16.740 -16.653 168 HZ1 LYS 19 3HZ LYS 19 11.901 17.217 -18.619 169 HZ2 LYS 19 1HZ LYS 19 12.236 18.294 -17.359 170 HZ3 LYS 19 2HZ LYS 19 11.289 18.793 -18.668 171 H THR 20 H THR 20 4.630 14.791 -17.312 172 HA THR 20 HA THR 20 4.310 17.642 -17.717 173 HB THR 20 HB THR 20 3.122 16.947 -19.658 174 HG1 THR 20 HG1 THR 20 1.888 18.472 -18.692 175 HG21 THR 20 1HG2 THR 20 2.894 14.563 -19.032 176 HG22 THR 20 2HG2 THR 20 1.395 15.247 -19.659 177 HG23 THR 20 3HG2 THR 20 1.594 15.003 -17.925 178 H GLY 21 H GLY 21 2.674 18.580 -16.330 179 HA2 GLY 21 2HA GLY 21 1.799 16.794 -14.151 180 HA3 GLY 21 3HA GLY 21 2.622 18.305 -13.790 181 H GLY 22 H GLY 22 1.561 20.298 -14.263 182 HA2 GLY 22 2HA GLY 22 -1.224 20.206 -15.085 183 HA3 GLY 22 3HA GLY 22 -0.953 20.655 -13.408 184 H TYR 23 H TYR 23 -0.352 22.703 -12.921 185 HA TYR 23 HA TYR 23 -0.679 24.706 -14.905 186 HB2 TYR 23 2HB TYR 23 0.028 24.680 -12.004 187 HB3 TYR 23 3HB TYR 23 0.323 26.149 -12.926 188 HD1 TYR 23 HD1 TYR 23 -1.898 26.448 -14.678 189 HD2 TYR 23 HD2 TYR 23 -1.863 24.915 -10.709 190 HE1 TYR 23 HE1 TYR 23 -4.257 27.090 -14.416 191 HE2 TYR 23 HE2 TYR 23 -4.223 25.552 -10.437 192 HH TYR 23 HH TYR 23 -6.265 26.004 -12.572 193 HA PRO 24 HA PRO 24 3.381 25.367 -16.429 194 HB2 PRO 24 2HB PRO 24 3.504 28.073 -16.602 195 HB3 PRO 24 3HB PRO 24 2.523 27.085 -17.691 196 HG2 PRO 24 2HG PRO 24 1.689 28.626 -15.264 197 HG3 PRO 24 3HG PRO 24 0.884 28.497 -16.839 198 HD2 PRO 24 2HD PRO 24 0.092 27.072 -14.676 199 HD3 PRO 24 3HD PRO 24 -0.051 26.451 -16.334 200 H TRP 25 H TRP 25 2.473 27.080 -13.506 201 HA TRP 25 HA TRP 25 5.293 27.474 -12.810 202 HB2 TRP 25 2HB TRP 25 4.309 28.805 -10.884 203 HB3 TRP 25 3HB TRP 25 4.029 29.462 -12.495 204 HD1 TRP 25 HD1 TRP 25 1.570 29.893 -13.175 205 HE1 TRP 25 HE1 TRP 25 -0.717 29.451 -12.081 206 HE3 TRP 25 HE3 TRP 25 3.091 26.974 -9.263 207 HZ2 TRP 25 HZ2 TRP 25 -1.741 28.051 -9.853 208 HZ3 TRP 25 HZ3 TRP 25 1.395 26.124 -7.696 209 HH2 TRP 25 HH2 TRP 25 -0.970 26.654 -7.986 210 H GLU 26 H GLU 26 2.628 25.440 -12.166 211 HA GLU 26 HA GLU 26 3.723 24.530 -9.614 212 HB2 GLU 26 2HB GLU 26 1.160 24.882 -10.352 213 HB3 GLU 26 3HB GLU 26 1.358 23.193 -10.801 214 HG2 GLU 26 2HG GLU 26 2.299 23.995 -8.114 215 HG3 GLU 26 3HG GLU 26 0.557 23.960 -8.387 216 H ARG 27 H ARG 27 5.444 24.011 -11.654 217 HA ARG 27 HA ARG 27 5.100 21.127 -12.152 218 HB2 ARG 27 2HB ARG 27 6.536 21.386 -14.102 219 HB3 ARG 27 3HB ARG 27 5.162 22.477 -14.208 220 HG2 ARG 27 2HG ARG 27 6.592 24.319 -13.426 221 HG3 ARG 27 3HG ARG 27 7.967 23.213 -13.402 222 HD2 ARG 27 2HD ARG 27 6.418 23.356 -15.917 223 HD3 ARG 27 3HD ARG 27 7.370 24.778 -15.495 224 HE ARG 27 HE ARG 27 8.871 22.356 -15.276 225 HH11 ARG 27 1HH1 ARG 27 7.709 24.762 -17.510 226 HH12 ARG 27 2HH1 ARG 27 8.972 24.487 -18.665 227 HH21 ARG 27 1HH2 ARG 27 10.538 21.986 -16.788 228 HH22 ARG 27 2HH2 ARG 27 10.579 22.908 -18.253 229 H GLY 28 H GLY 28 6.166 22.306 -9.728 230 HA2 GLY 28 2HA GLY 28 9.039 21.776 -9.906 231 HA3 GLY 28 3HA GLY 28 8.200 22.483 -8.534 232 H LYS 29 H LYS 29 6.946 21.081 -7.162 233 HA LYS 29 HA LYS 29 7.338 18.218 -7.458 234 HB2 LYS 29 2HB LYS 29 8.337 17.966 -5.223 235 HB3 LYS 29 3HB LYS 29 9.373 18.891 -6.302 236 HG2 LYS 29 2HG LYS 29 8.825 20.929 -5.228 237 HG3 LYS 29 3HG LYS 29 7.510 20.174 -4.324 238 HD2 LYS 29 2HD LYS 29 9.099 20.160 -2.695 239 HD3 LYS 29 3HD LYS 29 9.512 18.633 -3.479 240 HE2 LYS 29 2HE LYS 29 11.574 19.457 -3.686 241 HE3 LYS 29 3HE LYS 29 10.915 20.505 -4.941 242 HZ1 LYS 29 3HZ LYS 29 11.648 22.152 -3.651 243 HZ2 LYS 29 1HZ LYS 29 11.817 21.162 -2.289 244 HZ3 LYS 29 2HZ LYS 29 10.310 21.832 -2.666 245 H ALA 30 H ALA 30 5.962 16.966 -6.127 246 HA ALA 30 HA ALA 30 3.412 17.973 -5.711 247 HB1 ALA 30 3HB ALA 30 3.768 15.613 -5.931 248 HB2 ALA 30 1HB ALA 30 4.750 15.578 -4.465 249 HB3 ALA 30 2HB ALA 30 3.022 15.918 -4.362 Start of MODEL 5 1 H1 MET 1 H MET 1 1.646 1.671 -1.821 2 HA MET 1 HA MET 1 1.161 -0.881 -0.793 3 HB2 MET 1 2HB MET 1 1.085 0.403 -3.438 4 HB3 MET 1 3HB MET 1 1.358 -1.334 -3.481 5 HG2 MET 1 2HG MET 1 -0.704 -1.024 -1.664 6 HG3 MET 1 3HG MET 1 -1.059 0.151 -2.928 7 HE1 MET 1 3HE MET 1 -3.392 -2.918 -3.706 8 HE2 MET 1 1HE MET 1 -2.692 -2.850 -2.089 9 HE3 MET 1 2HE MET 1 -3.257 -1.371 -2.866 10 H LYS 2 H LYS 2 2.236 -2.829 -0.936 11 HA LYS 2 HA LYS 2 5.093 -2.686 -1.014 12 HB2 LYS 2 2HB LYS 2 3.561 -4.227 0.415 13 HB3 LYS 2 3HB LYS 2 3.538 -5.257 -1.011 14 HG2 LYS 2 2HG LYS 2 6.232 -4.591 -0.536 15 HG3 LYS 2 3HG LYS 2 5.527 -5.034 1.021 16 HD2 LYS 2 2HD LYS 2 5.066 -6.724 -1.412 17 HD3 LYS 2 3HD LYS 2 6.546 -6.890 -0.463 18 HE2 LYS 2 2HE LYS 2 5.481 -8.110 1.057 19 HE3 LYS 2 3HE LYS 2 4.286 -6.835 1.292 20 HZ1 LYS 2 3HZ LYS 2 3.541 -9.158 0.474 21 HZ2 LYS 2 1HZ LYS 2 4.070 -8.614 -1.039 22 HZ3 LYS 2 2HZ LYS 2 2.853 -7.776 -0.216 23 H THR 3 H THR 3 2.581 -3.755 -3.202 24 HA THR 3 HA THR 3 4.597 -4.714 -5.106 25 HB THR 3 HB THR 3 2.688 -6.217 -4.627 26 HG1 THR 3 HG1 THR 3 2.034 -6.293 -7.002 27 HG21 THR 3 1HG2 THR 3 1.070 -3.991 -5.869 28 HG22 THR 3 2HG2 THR 3 0.939 -4.602 -4.220 29 HG23 THR 3 3HG2 THR 3 0.470 -5.623 -5.579 30 H ILE 4 H ILE 4 4.028 -1.858 -4.494 31 HA ILE 4 HA ILE 4 2.600 -0.724 -6.673 32 HB ILE 4 HB ILE 4 3.070 0.430 -4.489 33 HG12 ILE 4 2HG1 ILE 4 3.957 1.959 -6.944 34 HG13 ILE 4 3HG1 ILE 4 2.278 1.596 -6.557 35 HG21 ILE 4 1HG2 ILE 4 5.501 -0.227 -4.484 36 HG22 ILE 4 2HG2 ILE 4 5.762 1.036 -5.685 37 HG23 ILE 4 3HG2 ILE 4 5.166 1.456 -4.079 38 HD11 ILE 4 3HD1 ILE 4 2.195 3.470 -5.397 39 HD12 ILE 4 1HD1 ILE 4 3.369 2.794 -4.270 40 HD13 ILE 4 2HD1 ILE 4 3.918 3.747 -5.649 41 H LEU 5 H LEU 5 5.617 -2.199 -6.491 42 HA LEU 5 HA LEU 5 7.269 -0.728 -8.140 43 HB2 LEU 5 2HB LEU 5 8.511 -2.674 -8.479 44 HB3 LEU 5 3HB LEU 5 7.750 -2.897 -6.905 45 HG LEU 5 HG LEU 5 5.944 -4.162 -8.401 46 HD11 LEU 5 1HD1 LEU 5 6.583 -4.755 -10.443 47 HD12 LEU 5 2HD1 LEU 5 8.158 -5.298 -9.865 48 HD13 LEU 5 3HD1 LEU 5 7.910 -3.603 -10.284 49 HD21 LEU 5 3HD2 LEU 5 7.296 -6.260 -7.953 50 HD22 LEU 5 1HD2 LEU 5 6.955 -5.231 -6.560 51 HD23 LEU 5 2HD2 LEU 5 8.549 -5.196 -7.313 52 H ARG 6 H ARG 6 4.574 -2.811 -8.998 53 HA ARG 6 HA ARG 6 5.085 -2.789 -11.807 54 HB2 ARG 6 2HB ARG 6 2.986 -3.892 -12.041 55 HB3 ARG 6 3HB ARG 6 3.730 -4.521 -10.578 56 HG2 ARG 6 2HG ARG 6 1.650 -4.174 -9.769 57 HG3 ARG 6 3HG ARG 6 2.301 -2.558 -9.488 58 HD2 ARG 6 2HD ARG 6 0.427 -1.937 -10.591 59 HD3 ARG 6 3HD ARG 6 1.435 -2.251 -12.003 60 HE ARG 6 HE ARG 6 0.169 -4.636 -11.312 61 HH11 ARG 6 1HH1 ARG 6 -0.665 -1.461 -12.473 62 HH12 ARG 6 2HH1 ARG 6 -2.075 -2.000 -13.324 63 HH21 ARG 6 1HH2 ARG 6 -1.685 -5.358 -12.429 64 HH22 ARG 6 2HH2 ARG 6 -2.655 -4.217 -13.297 65 H PHE 7 H PHE 7 3.272 -0.770 -9.599 66 HA PHE 7 HA PHE 7 1.874 0.669 -11.645 67 HB2 PHE 7 2HB PHE 7 0.863 0.567 -9.473 68 HB3 PHE 7 3HB PHE 7 2.311 1.210 -8.706 69 HD1 PHE 7 HD2 PHE 7 0.043 2.218 -11.498 70 HD2 PHE 7 HD1 PHE 7 2.117 3.360 -7.960 71 HE1 PHE 7 HE2 PHE 7 -0.865 4.495 -11.705 72 HE2 PHE 7 HE1 PHE 7 1.211 5.639 -8.161 73 HZ PHE 7 HZ PHE 7 -0.280 6.210 -10.036 74 H VAL 8 H VAL 8 4.589 1.466 -9.482 75 HA VAL 8 HA VAL 8 5.125 3.996 -10.607 76 HB VAL 8 HB VAL 8 6.998 2.140 -9.133 77 HG11 VAL 8 1HG1 VAL 8 8.223 3.815 -10.405 78 HG12 VAL 8 2HG1 VAL 8 7.231 5.094 -9.701 79 HG13 VAL 8 3HG1 VAL 8 8.318 4.153 -8.676 80 HG21 VAL 8 3HG2 VAL 8 5.799 2.636 -7.329 81 HG22 VAL 8 1HG2 VAL 8 6.229 4.331 -7.549 82 HG23 VAL 8 2HG2 VAL 8 4.751 3.696 -8.272 83 H ALA 9 H ALA 9 6.173 0.758 -11.439 84 HA ALA 9 HA ALA 9 8.365 1.257 -13.037 85 HB1 ALA 9 3HB ALA 9 7.577 -0.788 -14.341 86 HB2 ALA 9 1HB ALA 9 7.850 -0.989 -12.610 87 HB3 ALA 9 2HB ALA 9 6.208 -0.821 -13.231 88 H GLY 10 H GLY 10 4.938 1.219 -14.022 89 HA2 GLY 10 2HA GLY 10 5.494 1.996 -16.712 90 HA3 GLY 10 3HA GLY 10 3.916 1.987 -15.938 91 H TYR 11 H TYR 11 4.895 3.746 -13.756 92 HA TYR 11 HA TYR 11 4.248 6.233 -14.996 93 HB2 TYR 11 2HB TYR 11 3.728 5.472 -12.592 94 HB3 TYR 11 3HB TYR 11 5.384 5.940 -12.222 95 HD1 TYR 11 HD1 TYR 11 6.039 8.377 -13.002 96 HD2 TYR 11 HD2 TYR 11 2.054 7.044 -12.335 97 HE1 TYR 11 HE1 TYR 11 5.317 10.708 -12.697 98 HE2 TYR 11 HE2 TYR 11 1.320 9.372 -12.029 99 HH TYR 11 HH TYR 11 2.621 11.857 -13.022 100 H ASP 12 H ASP 12 7.205 4.687 -13.929 101 HA ASP 12 HA ASP 12 8.894 6.941 -14.019 102 HB2 ASP 12 2HB ASP 12 9.328 4.573 -13.047 103 HB3 ASP 12 3HB ASP 12 9.842 4.167 -14.682 104 H ILE 13 H ILE 13 7.651 4.829 -16.492 105 HA ILE 13 HA ILE 13 9.478 5.866 -18.503 106 HB ILE 13 HB ILE 13 7.184 3.924 -18.787 107 HG12 ILE 13 2HG1 ILE 13 9.844 2.870 -19.235 108 HG13 ILE 13 3HG1 ILE 13 9.707 3.562 -17.623 109 HG21 ILE 13 1HG2 ILE 13 8.869 5.284 -20.728 110 HG22 ILE 13 2HG2 ILE 13 8.920 3.529 -20.887 111 HG23 ILE 13 3HG2 ILE 13 7.376 4.375 -20.964 112 HD11 ILE 13 3HD1 ILE 13 8.876 1.588 -17.036 113 HD12 ILE 13 1HD1 ILE 13 7.399 2.104 -17.851 114 HD13 ILE 13 2HD1 ILE 13 8.581 1.115 -18.710 115 H ALA 14 H ALA 14 5.992 5.881 -17.821 116 HA ALA 14 HA ALA 14 5.219 7.449 -20.020 117 HB1 ALA 14 3HB ALA 14 3.877 7.268 -17.326 118 HB2 ALA 14 1HB ALA 14 3.139 7.803 -18.837 119 HB3 ALA 14 2HB ALA 14 3.657 6.126 -18.653 120 H SER 15 H SER 15 6.348 8.307 -16.798 121 HA SER 15 HA SER 15 5.756 11.087 -17.023 122 HB2 SER 15 2HB SER 15 6.033 9.923 -14.845 123 HB3 SER 15 3HB SER 15 7.749 9.721 -15.198 124 HG SER 15 HG SER 15 6.536 11.813 -14.112 125 H HIS 16 H HIS 16 8.414 9.066 -17.975 126 HA HIS 16 HA HIS 16 10.261 11.243 -18.367 127 HB2 HIS 16 2HB HIS 16 11.165 9.074 -17.812 128 HB3 HIS 16 3HB HIS 16 10.355 8.335 -19.189 129 HD1 HIS 16 HD1 HIS 16 11.732 8.106 -21.235 130 HD2 HIS 16 HD2 HIS 16 13.204 11.044 -18.693 131 HE1 HIS 16 HE1 HIS 16 13.882 8.885 -22.282 132 H LYS 17 H LYS 17 7.983 9.427 -20.303 133 HA LYS 17 HA LYS 17 8.917 10.466 -22.814 134 HB2 LYS 17 2HB LYS 17 7.089 8.450 -21.941 135 HB3 LYS 17 3HB LYS 17 6.243 9.531 -23.040 136 HG2 LYS 17 2HG LYS 17 7.090 8.223 -24.639 137 HG3 LYS 17 3HG LYS 17 8.579 9.133 -24.373 138 HD2 LYS 17 2HD LYS 17 9.496 7.446 -23.019 139 HD3 LYS 17 3HD LYS 17 7.931 6.658 -22.797 140 HE2 LYS 17 2HE LYS 17 8.497 6.779 -25.583 141 HE3 LYS 17 3HE LYS 17 9.914 6.135 -24.755 142 HZ1 LYS 17 3HZ LYS 17 8.707 4.356 -23.912 143 HZ2 LYS 17 1HZ LYS 17 8.115 4.507 -25.491 144 HZ3 LYS 17 2HZ LYS 17 7.209 5.095 -24.188 145 H LYS 18 H LYS 18 5.919 10.925 -20.936 146 HA LYS 18 HA LYS 18 5.149 13.202 -22.512 147 HB2 LYS 18 2HB LYS 18 3.995 11.642 -20.275 148 HB3 LYS 18 3HB LYS 18 3.498 13.326 -20.380 149 HG2 LYS 18 2HG LYS 18 3.007 12.780 -22.858 150 HG3 LYS 18 3HG LYS 18 3.041 11.099 -22.318 151 HD2 LYS 18 2HD LYS 18 1.006 11.275 -21.430 152 HD3 LYS 18 3HD LYS 18 1.467 12.721 -20.527 153 HE2 LYS 18 2HE LYS 18 -0.273 13.445 -21.904 154 HE3 LYS 18 3HE LYS 18 1.184 13.964 -22.750 155 HZ1 LYS 18 3HZ LYS 18 0.631 12.735 -24.493 156 HZ2 LYS 18 1HZ LYS 18 -0.859 12.415 -23.758 157 HZ3 LYS 18 2HZ LYS 18 0.435 11.347 -23.547 158 H LYS 19 H LYS 19 5.983 12.776 -19.069 159 HA LYS 19 HA LYS 19 6.870 14.197 -17.530 160 HB2 LYS 19 2HB LYS 19 8.698 14.202 -19.276 161 HB3 LYS 19 3HB LYS 19 8.010 15.701 -19.887 162 HG2 LYS 19 2HG LYS 19 9.528 16.622 -18.507 163 HG3 LYS 19 3HG LYS 19 8.269 16.353 -17.300 164 HD2 LYS 19 2HD LYS 19 9.791 15.187 -16.157 165 HD3 LYS 19 3HD LYS 19 9.622 13.940 -17.394 166 HE2 LYS 19 2HE LYS 19 11.838 14.232 -17.646 167 HE3 LYS 19 3HE LYS 19 11.354 15.625 -18.610 168 HZ1 LYS 19 3HZ LYS 19 11.725 17.068 -16.802 169 HZ2 LYS 19 1HZ LYS 19 13.078 16.054 -16.860 170 HZ3 LYS 19 2HZ LYS 19 11.875 15.795 -15.699 171 H THR 20 H THR 20 4.702 14.919 -17.044 172 HA THR 20 HA THR 20 4.419 17.787 -17.485 173 HB THR 20 HB THR 20 3.036 17.023 -19.256 174 HG1 THR 20 HG1 THR 20 1.159 17.957 -18.630 175 HG21 THR 20 1HG2 THR 20 1.301 15.331 -18.990 176 HG22 THR 20 2HG2 THR 20 1.736 15.129 -17.292 177 HG23 THR 20 3HG2 THR 20 2.877 14.669 -18.556 178 H GLY 21 H GLY 21 2.925 18.805 -15.992 179 HA2 GLY 21 2HA GLY 21 2.972 17.473 -13.409 180 HA3 GLY 21 3HA GLY 21 2.539 19.148 -13.713 181 H GLY 22 H GLY 22 0.520 18.889 -15.564 182 HA2 GLY 22 2HA GLY 22 -1.589 17.747 -15.873 183 HA3 GLY 22 3HA GLY 22 -1.475 17.192 -14.210 184 H TYR 23 H TYR 23 -2.721 19.547 -16.294 185 HA TYR 23 HA TYR 23 -3.007 21.709 -14.485 186 HB2 TYR 23 2HB TYR 23 -4.217 20.960 -17.110 187 HB3 TYR 23 3HB TYR 23 -4.986 22.230 -16.164 188 HD1 TYR 23 HD1 TYR 23 -2.877 23.771 -15.039 189 HD2 TYR 23 HD2 TYR 23 -3.011 21.877 -18.847 190 HE1 TYR 23 HE1 TYR 23 -1.251 25.403 -15.901 191 HE2 TYR 23 HE2 TYR 23 -1.385 23.503 -19.720 192 HH TYR 23 HH TYR 23 0.341 25.007 -18.887 193 HA PRO 24 HA PRO 24 -6.434 20.590 -11.986 194 HB2 PRO 24 2HB PRO 24 -7.822 22.918 -11.826 195 HB3 PRO 24 3HB PRO 24 -6.275 22.664 -11.009 196 HG2 PRO 24 2HG PRO 24 -6.845 24.069 -13.590 197 HG3 PRO 24 3HG PRO 24 -5.762 24.548 -12.271 198 HD2 PRO 24 2HD PRO 24 -4.863 23.381 -14.543 199 HD3 PRO 24 3HD PRO 24 -4.081 23.134 -12.969 200 H TRP 25 H TRP 25 -7.133 22.114 -15.068 201 HA TRP 25 HA TRP 25 -9.859 21.040 -15.028 202 HB2 TRP 25 2HB TRP 25 -10.095 22.402 -17.158 203 HB3 TRP 25 3HB TRP 25 -9.830 23.325 -15.681 204 HD1 TRP 25 HD1 TRP 25 -7.816 24.948 -15.657 205 HE1 TRP 25 HE1 TRP 25 -5.903 25.487 -17.293 206 HE3 TRP 25 HE3 TRP 25 -8.519 21.152 -19.010 207 HZ2 TRP 25 HZ2 TRP 25 -4.834 24.443 -19.687 208 HZ3 TRP 25 HZ3 TRP 25 -7.009 20.993 -20.946 209 HH2 TRP 25 HH2 TRP 25 -5.205 22.606 -21.276 210 H GLU 26 H GLU 26 -6.753 20.426 -16.299 211 HA GLU 26 HA GLU 26 -7.786 18.770 -18.475 212 HB2 GLU 26 2HB GLU 26 -5.634 20.385 -18.424 213 HB3 GLU 26 3HB GLU 26 -4.875 18.882 -17.916 214 HG2 GLU 26 2HG GLU 26 -5.501 17.784 -19.917 215 HG3 GLU 26 3HG GLU 26 -6.573 19.102 -20.384 216 H ARG 27 H ARG 27 -8.386 17.925 -15.850 217 HA ARG 27 HA ARG 27 -6.788 15.454 -15.699 218 HB2 ARG 27 2HB ARG 27 -6.525 17.162 -13.786 219 HB3 ARG 27 3HB ARG 27 -8.150 16.682 -13.315 220 HG2 ARG 27 2HG ARG 27 -7.479 14.486 -12.829 221 HG3 ARG 27 3HG ARG 27 -5.944 14.683 -13.676 222 HD2 ARG 27 2HD ARG 27 -5.635 16.611 -11.882 223 HD3 ARG 27 3HD ARG 27 -6.761 15.603 -10.973 224 HE ARG 27 HE ARG 27 -4.676 14.012 -12.004 225 HH11 ARG 27 1HH1 ARG 27 -5.297 16.431 -9.578 226 HH12 ARG 27 2HH1 ARG 27 -4.043 15.877 -8.518 227 HH21 ARG 27 1HH2 ARG 27 -3.022 13.273 -10.617 228 HH22 ARG 27 2HH2 ARG 27 -2.749 14.082 -9.111 229 H GLY 28 H GLY 28 -9.300 16.074 -17.143 230 HA2 GLY 28 2HA GLY 28 -10.879 14.280 -17.597 231 HA3 GLY 28 3HA GLY 28 -10.971 14.003 -15.864 232 H LYS 29 H LYS 29 -11.818 16.251 -18.445 233 HA LYS 29 HA LYS 29 -13.298 18.094 -16.982 234 HB2 LYS 29 2HB LYS 29 -13.558 17.110 -19.816 235 HB3 LYS 29 3HB LYS 29 -14.597 18.375 -19.173 236 HG2 LYS 29 2HG LYS 29 -11.912 19.050 -18.555 237 HG3 LYS 29 3HG LYS 29 -11.993 18.605 -20.262 238 HD2 LYS 29 2HD LYS 29 -14.029 20.456 -19.080 239 HD3 LYS 29 3HD LYS 29 -12.445 21.064 -19.567 240 HE2 LYS 29 2HE LYS 29 -14.342 19.544 -21.353 241 HE3 LYS 29 3HE LYS 29 -14.165 21.297 -21.330 242 HZ1 LYS 29 3HZ LYS 29 -11.617 20.296 -21.625 243 HZ2 LYS 29 1HZ LYS 29 -12.560 21.041 -22.815 244 HZ3 LYS 29 2HZ LYS 29 -12.575 19.358 -22.657 245 H ALA 30 H ALA 30 -14.064 14.843 -17.905 246 HA ALA 30 HA ALA 30 -16.772 15.181 -16.787 247 HB1 ALA 30 3HB ALA 30 -16.311 14.427 -19.298 248 HB2 ALA 30 1HB ALA 30 -16.193 12.849 -18.520 249 HB3 ALA 30 2HB ALA 30 -17.666 13.806 -18.357 Start of MODEL 6 1 H1 MET 1 H MET 1 2.282 1.441 -0.657 2 HA MET 1 HA MET 1 0.603 -0.925 -0.978 3 HB2 MET 1 2HB MET 1 1.374 0.955 -3.154 4 HB3 MET 1 3HB MET 1 1.410 -0.766 -3.514 5 HG2 MET 1 2HG MET 1 -0.836 -0.973 -3.440 6 HG3 MET 1 3HG MET 1 -1.018 0.247 -2.182 7 HE1 MET 1 3HE MET 1 -3.175 0.947 -3.385 8 HE2 MET 1 1HE MET 1 -3.259 1.755 -4.950 9 HE3 MET 1 2HE MET 1 -3.006 0.012 -4.871 10 H LYS 2 H LYS 2 1.740 -2.811 -1.388 11 HA LYS 2 HA LYS 2 4.598 -2.649 -0.848 12 HB2 LYS 2 2HB LYS 2 2.490 -4.698 -0.554 13 HB3 LYS 2 3HB LYS 2 4.078 -5.309 -1.001 14 HG2 LYS 2 2HG LYS 2 4.323 -5.377 1.242 15 HG3 LYS 2 3HG LYS 2 4.811 -3.699 0.991 16 HD2 LYS 2 2HD LYS 2 2.501 -2.982 1.467 17 HD3 LYS 2 3HD LYS 2 2.060 -4.663 1.775 18 HE2 LYS 2 2HE LYS 2 2.453 -3.677 3.890 19 HE3 LYS 2 3HE LYS 2 3.857 -4.686 3.544 20 HZ1 LYS 2 3HZ LYS 2 4.941 -2.599 2.700 21 HZ2 LYS 2 1HZ LYS 2 4.678 -2.658 4.370 22 HZ3 LYS 2 2HZ LYS 2 3.658 -1.735 3.385 23 H THR 3 H THR 3 2.393 -3.975 -3.286 24 HA THR 3 HA THR 3 4.660 -4.628 -5.012 25 HB THR 3 HB THR 3 2.848 -6.299 -4.751 26 HG1 THR 3 HG1 THR 3 4.125 -6.038 -6.745 27 HG21 THR 3 1HG2 THR 3 0.717 -5.653 -4.797 28 HG22 THR 3 2HG2 THR 3 0.899 -5.234 -6.500 29 HG23 THR 3 3HG2 THR 3 1.196 -4.020 -5.255 30 H ILE 4 H ILE 4 4.075 -1.864 -4.500 31 HA ILE 4 HA ILE 4 2.628 -0.727 -6.669 32 HB ILE 4 HB ILE 4 3.104 0.425 -4.484 33 HG12 ILE 4 2HG1 ILE 4 3.981 1.957 -6.940 34 HG13 ILE 4 3HG1 ILE 4 2.305 1.593 -6.546 35 HG21 ILE 4 1HG2 ILE 4 5.537 -0.232 -4.490 36 HG22 ILE 4 2HG2 ILE 4 5.791 1.035 -5.690 37 HG23 ILE 4 3HG2 ILE 4 5.202 1.450 -4.081 38 HD11 ILE 4 3HD1 ILE 4 4.016 3.699 -5.572 39 HD12 ILE 4 1HD1 ILE 4 2.265 3.525 -5.467 40 HD13 ILE 4 2HD1 ILE 4 3.301 2.775 -4.251 41 H LEU 5 H LEU 5 5.646 -2.200 -6.501 42 HA LEU 5 HA LEU 5 7.291 -0.724 -8.154 43 HB2 LEU 5 2HB LEU 5 8.533 -2.669 -8.500 44 HB3 LEU 5 3HB LEU 5 7.778 -2.895 -6.923 45 HG LEU 5 HG LEU 5 5.968 -4.160 -8.414 46 HD11 LEU 5 1HD1 LEU 5 6.616 -4.827 -10.440 47 HD12 LEU 5 2HD1 LEU 5 8.238 -5.235 -9.882 48 HD13 LEU 5 3HD1 LEU 5 7.852 -3.573 -10.331 49 HD21 LEU 5 3HD2 LEU 5 7.351 -5.003 -6.491 50 HD22 LEU 5 1HD2 LEU 5 8.573 -5.475 -7.673 51 HD23 LEU 5 2HD2 LEU 5 6.967 -6.202 -7.728 52 H ARG 6 H ARG 6 4.595 -2.809 -9.004 53 HA ARG 6 HA ARG 6 5.096 -2.784 -11.814 54 HB2 ARG 6 2HB ARG 6 3.003 -3.894 -12.043 55 HB3 ARG 6 3HB ARG 6 3.743 -4.514 -10.573 56 HG2 ARG 6 2HG ARG 6 1.668 -4.162 -9.763 57 HG3 ARG 6 3HG ARG 6 2.306 -2.537 -9.508 58 HD2 ARG 6 2HD ARG 6 0.518 -1.859 -10.675 59 HD3 ARG 6 3HD ARG 6 1.422 -2.403 -12.088 60 HE ARG 6 HE ARG 6 -0.005 -4.571 -11.012 61 HH11 ARG 6 1HH1 ARG 6 -0.537 -1.577 -12.706 62 HH12 ARG 6 2HH1 ARG 6 -1.991 -2.119 -13.475 63 HH21 ARG 6 1HH2 ARG 6 -1.918 -5.298 -12.019 64 HH22 ARG 6 2HH2 ARG 6 -2.776 -4.236 -13.083 65 H PHE 7 H PHE 7 3.289 -0.767 -9.597 66 HA PHE 7 HA PHE 7 1.884 0.674 -11.637 67 HB2 PHE 7 2HB PHE 7 0.880 0.568 -9.462 68 HB3 PHE 7 3HB PHE 7 2.331 1.211 -8.699 69 HD1 PHE 7 HD2 PHE 7 0.056 2.223 -11.484 70 HD2 PHE 7 HD1 PHE 7 2.134 3.358 -7.948 71 HE1 PHE 7 HE2 PHE 7 -0.855 4.499 -11.686 72 HE2 PHE 7 HE1 PHE 7 1.226 5.637 -8.143 73 HZ PHE 7 HZ PHE 7 -0.269 6.210 -10.014 74 H VAL 8 H VAL 8 4.601 1.476 -9.477 75 HA VAL 8 HA VAL 8 5.132 4.005 -10.603 76 HB VAL 8 HB VAL 8 7.013 2.147 -9.140 77 HG11 VAL 8 1HG1 VAL 8 8.230 3.828 -10.413 78 HG12 VAL 8 2HG1 VAL 8 7.240 5.103 -9.701 79 HG13 VAL 8 3HG1 VAL 8 8.333 4.161 -8.684 80 HG21 VAL 8 3HG2 VAL 8 5.820 2.637 -7.330 81 HG22 VAL 8 1HG2 VAL 8 6.248 4.335 -7.547 82 HG23 VAL 8 2HG2 VAL 8 4.768 3.700 -8.267 83 H ALA 9 H ALA 9 6.181 0.769 -11.444 84 HA ALA 9 HA ALA 9 8.365 1.276 -13.050 85 HB1 ALA 9 3HB ALA 9 7.814 -0.973 -12.593 86 HB2 ALA 9 1HB ALA 9 6.203 -0.800 -13.288 87 HB3 ALA 9 2HB ALA 9 7.623 -0.775 -14.335 88 H GLY 10 H GLY 10 4.934 1.239 -14.018 89 HA2 GLY 10 2HA GLY 10 5.476 2.016 -16.710 90 HA3 GLY 10 3HA GLY 10 3.903 2.009 -15.928 91 H TYR 11 H TYR 11 4.895 3.765 -13.750 92 HA TYR 11 HA TYR 11 4.246 6.254 -14.987 93 HB2 TYR 11 2HB TYR 11 3.731 5.495 -12.583 94 HB3 TYR 11 3HB TYR 11 5.390 5.953 -12.217 95 HD1 TYR 11 HD1 TYR 11 6.059 8.389 -12.976 96 HD2 TYR 11 HD2 TYR 11 2.062 7.077 -12.339 97 HE1 TYR 11 HE1 TYR 11 5.349 10.722 -12.664 98 HE2 TYR 11 HE2 TYR 11 1.340 9.407 -12.027 99 HH TYR 11 HH TYR 11 3.644 12.036 -11.847 100 H ASP 12 H ASP 12 7.205 4.705 -13.926 101 HA ASP 12 HA ASP 12 8.896 6.957 -14.026 102 HB2 ASP 12 2HB ASP 12 9.325 4.585 -13.056 103 HB3 ASP 12 3HB ASP 12 9.847 4.186 -14.691 104 H ILE 13 H ILE 13 7.668 4.818 -16.490 105 HA ILE 13 HA ILE 13 9.482 5.865 -18.508 106 HB ILE 13 HB ILE 13 7.201 3.902 -18.781 107 HG12 ILE 13 2HG1 ILE 13 9.877 2.876 -19.224 108 HG13 ILE 13 3HG1 ILE 13 9.721 3.564 -17.612 109 HG21 ILE 13 1HG2 ILE 13 7.662 5.076 -20.866 110 HG22 ILE 13 2HG2 ILE 13 9.369 4.662 -20.734 111 HG23 ILE 13 3HG2 ILE 13 8.170 3.391 -20.969 112 HD11 ILE 13 3HD1 ILE 13 7.431 2.078 -17.862 113 HD12 ILE 13 1HD1 ILE 13 8.633 1.105 -18.707 114 HD13 ILE 13 2HD1 ILE 13 8.905 1.582 -17.031 115 H ALA 14 H ALA 14 6.006 5.883 -17.789 116 HA ALA 14 HA ALA 14 5.210 7.424 -20.005 117 HB1 ALA 14 3HB ALA 14 3.907 7.176 -17.296 118 HB2 ALA 14 1HB ALA 14 3.146 7.828 -18.747 119 HB3 ALA 14 2HB ALA 14 3.625 6.131 -18.688 120 H SER 15 H SER 15 6.318 8.315 -16.780 121 HA SER 15 HA SER 15 5.731 11.092 -17.047 122 HB2 SER 15 2HB SER 15 5.967 9.976 -14.849 123 HB3 SER 15 3HB SER 15 7.682 9.728 -15.175 124 HG SER 15 HG SER 15 6.365 11.979 -14.347 125 H HIS 16 H HIS 16 8.403 9.057 -17.930 126 HA HIS 16 HA HIS 16 10.238 11.247 -18.346 127 HB2 HIS 16 2HB HIS 16 10.378 8.355 -18.291 128 HB3 HIS 16 3HB HIS 16 11.212 8.998 -19.703 129 HD1 HIS 16 HD1 HIS 16 11.978 7.989 -16.460 130 HD2 HIS 16 HD2 HIS 16 12.924 11.380 -18.665 131 HE1 HIS 16 HE1 HIS 16 14.018 8.961 -15.356 132 H LYS 17 H LYS 17 8.035 9.315 -20.258 133 HA LYS 17 HA LYS 17 9.013 10.263 -22.788 134 HB2 LYS 17 2HB LYS 17 7.564 8.101 -22.075 135 HB3 LYS 17 3HB LYS 17 6.266 9.167 -22.597 136 HG2 LYS 17 2HG LYS 17 6.734 8.819 -24.736 137 HG3 LYS 17 3HG LYS 17 8.444 9.177 -24.489 138 HD2 LYS 17 2HD LYS 17 7.517 6.576 -23.456 139 HD3 LYS 17 3HD LYS 17 7.501 6.752 -25.212 140 HE2 LYS 17 2HE LYS 17 9.630 5.934 -24.804 141 HE3 LYS 17 3HE LYS 17 9.899 7.673 -24.898 142 HZ1 LYS 17 3HZ LYS 17 9.293 7.063 -22.250 143 HZ2 LYS 17 1HZ LYS 17 10.774 7.585 -22.883 144 HZ3 LYS 17 2HZ LYS 17 10.442 5.931 -22.760 145 H LYS 18 H LYS 18 6.039 10.826 -20.905 146 HA LYS 18 HA LYS 18 5.242 13.000 -22.624 147 HB2 LYS 18 2HB LYS 18 4.087 11.549 -20.313 148 HB3 LYS 18 3HB LYS 18 3.579 13.222 -20.511 149 HG2 LYS 18 2HG LYS 18 2.514 12.806 -22.506 150 HG3 LYS 18 3HG LYS 18 3.491 11.378 -22.853 151 HD2 LYS 18 2HD LYS 18 2.345 10.178 -21.034 152 HD3 LYS 18 3HD LYS 18 1.344 11.603 -20.742 153 HE2 LYS 18 2HE LYS 18 0.031 11.198 -22.524 154 HE3 LYS 18 3HE LYS 18 1.381 10.669 -23.526 155 HZ1 LYS 18 3HZ LYS 18 1.273 8.517 -22.647 156 HZ2 LYS 18 1HZ LYS 18 -0.342 8.940 -22.920 157 HZ3 LYS 18 2HZ LYS 18 0.290 8.986 -21.351 158 H LYS 19 H LYS 19 6.120 12.732 -19.177 159 HA LYS 19 HA LYS 19 7.001 14.229 -17.710 160 HB2 LYS 19 2HB LYS 19 8.724 14.226 -19.656 161 HB3 LYS 19 3HB LYS 19 8.065 15.813 -20.029 162 HG2 LYS 19 2HG LYS 19 8.526 16.097 -17.391 163 HG3 LYS 19 3HG LYS 19 9.800 14.954 -17.817 164 HD2 LYS 19 2HD LYS 19 10.781 16.435 -19.338 165 HD3 LYS 19 3HD LYS 19 9.328 17.434 -19.439 166 HE2 LYS 19 2HE LYS 19 9.788 18.539 -17.494 167 HE3 LYS 19 3HE LYS 19 10.648 17.170 -16.793 168 HZ1 LYS 19 3HZ LYS 19 12.592 17.790 -17.735 169 HZ2 LYS 19 1HZ LYS 19 11.883 19.324 -17.672 170 HZ3 LYS 19 2HZ LYS 19 11.866 18.443 -19.116 171 H THR 20 H THR 20 5.016 15.049 -17.005 172 HA THR 20 HA THR 20 4.652 17.847 -17.422 173 HB THR 20 HB THR 20 3.487 17.234 -19.417 174 HG1 THR 20 HG1 THR 20 1.730 18.367 -18.952 175 HG21 THR 20 1HG2 THR 20 1.519 15.668 -19.301 176 HG22 THR 20 2HG2 THR 20 2.069 15.209 -17.689 177 HG23 THR 20 3HG2 THR 20 3.094 14.904 -19.091 178 H GLY 21 H GLY 21 3.280 18.793 -15.885 179 HA2 GLY 21 2HA GLY 21 1.542 18.553 -14.198 180 HA3 GLY 21 3HA GLY 21 2.154 16.934 -13.888 181 H GLY 22 H GLY 22 3.563 20.213 -14.037 182 HA2 GLY 22 2HA GLY 22 4.264 21.300 -11.969 183 HA3 GLY 22 3HA GLY 22 4.691 19.710 -11.355 184 H TYR 23 H TYR 23 5.908 22.507 -12.624 185 HA TYR 23 HA TYR 23 7.960 21.656 -14.327 186 HB2 TYR 23 2HB TYR 23 7.501 24.070 -12.631 187 HB3 TYR 23 3HB TYR 23 9.100 23.822 -13.322 188 HD1 TYR 23 HD1 TYR 23 8.684 22.835 -15.957 189 HD2 TYR 23 HD2 TYR 23 6.361 25.685 -13.815 190 HE1 TYR 23 HE1 TYR 23 7.918 23.801 -18.085 191 HE2 TYR 23 HE2 TYR 23 5.587 26.658 -15.938 192 HH TYR 23 HH TYR 23 7.001 26.302 -18.746 193 HA PRO 24 HA PRO 24 11.008 19.794 -11.781 194 HB2 PRO 24 2HB PRO 24 13.315 20.767 -12.830 195 HB3 PRO 24 3HB PRO 24 12.308 19.577 -13.663 196 HG2 PRO 24 2HG PRO 24 12.459 22.541 -14.060 197 HG3 PRO 24 3HG PRO 24 12.374 21.251 -15.275 198 HD2 PRO 24 2HD PRO 24 10.213 22.712 -14.547 199 HD3 PRO 24 3HD PRO 24 10.094 21.012 -15.045 200 H TRP 25 H TRP 25 11.124 23.284 -12.123 201 HA TRP 25 HA TRP 25 12.705 23.514 -9.664 202 HB2 TRP 25 2HB TRP 25 12.749 25.974 -10.292 203 HB3 TRP 25 3HB TRP 25 13.580 24.883 -11.398 204 HD1 TRP 25 HD1 TRP 25 12.852 24.950 -13.880 205 HE1 TRP 25 HE1 TRP 25 11.015 26.179 -15.198 206 HE3 TRP 25 HE3 TRP 25 10.186 26.865 -9.961 207 HZ2 TRP 25 HZ2 TRP 25 8.737 27.752 -14.649 208 HZ3 TRP 25 HZ3 TRP 25 8.191 28.222 -10.444 209 HH2 TRP 25 HH2 TRP 25 7.483 28.655 -12.739 210 H GLU 26 H GLU 26 9.504 23.739 -10.827 211 HA GLU 26 HA GLU 26 8.626 25.393 -8.584 212 HB2 GLU 26 2HB GLU 26 7.798 25.398 -11.143 213 HB3 GLU 26 3HB GLU 26 6.651 24.246 -10.475 214 HG2 GLU 26 2HG GLU 26 7.091 26.865 -9.116 215 HG3 GLU 26 3HG GLU 26 6.066 26.771 -10.546 216 H ARG 27 H ARG 27 9.662 22.979 -7.776 217 HA ARG 27 HA ARG 27 7.250 21.495 -6.962 218 HB2 ARG 27 2HB ARG 27 10.009 20.489 -7.632 219 HB3 ARG 27 3HB ARG 27 8.879 19.537 -6.678 220 HG2 ARG 27 2HG ARG 27 7.631 20.524 -9.084 221 HG3 ARG 27 3HG ARG 27 9.098 19.611 -9.446 222 HD2 ARG 27 2HD ARG 27 7.162 18.142 -9.409 223 HD3 ARG 27 3HD ARG 27 8.264 17.749 -8.089 224 HE ARG 27 HE ARG 27 6.222 19.569 -7.277 225 HH11 ARG 27 1HH1 ARG 27 6.904 16.211 -7.896 226 HH12 ARG 27 2HH1 ARG 27 5.678 15.628 -6.820 227 HH21 ARG 27 1HH2 ARG 27 4.603 18.814 -5.858 228 HH22 ARG 27 2HH2 ARG 27 4.369 17.111 -5.662 229 H GLY 28 H GLY 28 8.653 23.795 -5.698 230 HA2 GLY 28 2HA GLY 28 9.547 22.498 -3.203 231 HA3 GLY 28 3HA GLY 28 10.019 24.111 -3.716 232 H LYS 29 H LYS 29 6.732 23.225 -4.184 233 HA LYS 29 HA LYS 29 4.789 23.992 -3.284 234 HB2 LYS 29 2HB LYS 29 5.652 22.583 -1.380 235 HB3 LYS 29 3HB LYS 29 6.299 24.056 -0.669 236 HG2 LYS 29 2HG LYS 29 4.296 23.839 0.433 237 HG3 LYS 29 3HG LYS 29 3.859 24.922 -0.892 238 HD2 LYS 29 2HD LYS 29 2.157 23.411 -1.066 239 HD3 LYS 29 3HD LYS 29 3.344 22.626 -2.109 240 HE2 LYS 29 2HE LYS 29 3.822 21.819 0.580 241 HE3 LYS 29 3HE LYS 29 2.106 21.617 0.234 242 HZ1 LYS 29 3HZ LYS 29 2.862 19.655 -0.563 243 HZ2 LYS 29 1HZ LYS 29 4.408 20.244 -0.916 244 HZ3 LYS 29 2HZ LYS 29 3.118 20.572 -1.961 245 H ALA 30 H ALA 30 5.667 25.965 -4.578 246 HA ALA 30 HA ALA 30 6.277 28.257 -2.891 247 HB1 ALA 30 3HB ALA 30 6.797 27.545 -5.590 248 HB2 ALA 30 1HB ALA 30 5.859 29.039 -5.585 249 HB3 ALA 30 2HB ALA 30 7.376 28.946 -4.689 Start of MODEL 7 1 H1 MET 1 H MET 1 2.030 1.391 -1.131 2 HA MET 1 HA MET 1 1.023 -0.678 -1.138 3 HB2 MET 1 2HB MET 1 0.576 0.183 -3.789 4 HB3 MET 1 3HB MET 1 1.233 -1.444 -3.900 5 HG2 MET 1 2HG MET 1 -0.641 -1.625 -1.879 6 HG3 MET 1 3HG MET 1 -1.387 -0.550 -3.059 7 HE1 MET 1 3HE MET 1 -1.620 -2.318 -6.214 8 HE2 MET 1 1HE MET 1 -0.667 -1.007 -5.517 9 HE3 MET 1 2HE MET 1 0.118 -2.515 -5.985 10 H LYS 2 H LYS 2 1.897 -2.689 -0.837 11 HA LYS 2 HA LYS 2 4.642 -2.999 -0.753 12 HB2 LYS 2 2HB LYS 2 4.238 -5.369 -0.382 13 HB3 LYS 2 3HB LYS 2 3.053 -4.408 0.494 14 HG2 LYS 2 2HG LYS 2 1.408 -4.840 -1.269 15 HG3 LYS 2 3HG LYS 2 2.598 -5.824 -2.125 16 HD2 LYS 2 2HD LYS 2 1.760 -7.552 -0.979 17 HD3 LYS 2 3HD LYS 2 2.619 -6.890 0.413 18 HE2 LYS 2 2HE LYS 2 0.338 -5.405 0.424 19 HE3 LYS 2 3HE LYS 2 -0.255 -6.948 -0.190 20 HZ1 LYS 2 3HZ LYS 2 -0.003 -7.910 1.792 21 HZ2 LYS 2 1HZ LYS 2 0.093 -6.341 2.417 22 HZ3 LYS 2 2HZ LYS 2 1.508 -7.201 2.071 23 H THR 3 H THR 3 2.400 -3.743 -3.349 24 HA THR 3 HA THR 3 4.665 -4.630 -5.012 25 HB THR 3 HB THR 3 2.868 -6.305 -4.764 26 HG1 THR 3 HG1 THR 3 2.959 -5.200 -7.392 27 HG21 THR 3 1HG2 THR 3 0.681 -5.914 -5.784 28 HG22 THR 3 2HG2 THR 3 1.146 -4.256 -6.166 29 HG23 THR 3 3HG2 THR 3 0.981 -4.761 -4.485 30 H ILE 4 H ILE 4 4.051 -1.860 -4.494 31 HA ILE 4 HA ILE 4 2.619 -0.725 -6.668 32 HB ILE 4 HB ILE 4 3.092 0.426 -4.484 33 HG12 ILE 4 2HG1 ILE 4 3.974 1.960 -6.938 34 HG13 ILE 4 3HG1 ILE 4 2.297 1.594 -6.549 35 HG21 ILE 4 1HG2 ILE 4 5.525 -0.229 -4.484 36 HG22 ILE 4 2HG2 ILE 4 5.782 1.037 -5.684 37 HG23 ILE 4 3HG2 ILE 4 5.189 1.454 -4.077 38 HD11 ILE 4 3HD1 ILE 4 4.003 3.702 -5.571 39 HD12 ILE 4 1HD1 ILE 4 2.252 3.525 -5.469 40 HD13 ILE 4 2HD1 ILE 4 3.286 2.777 -4.252 41 H LEU 5 H LEU 5 5.639 -2.198 -6.495 42 HA LEU 5 HA LEU 5 7.285 -0.724 -8.145 43 HB2 LEU 5 2HB LEU 5 8.528 -2.668 -8.490 44 HB3 LEU 5 3HB LEU 5 7.770 -2.893 -6.915 45 HG LEU 5 HG LEU 5 5.962 -4.157 -8.408 46 HD11 LEU 5 1HD1 LEU 5 7.918 -3.593 -10.297 47 HD12 LEU 5 2HD1 LEU 5 6.598 -4.752 -10.452 48 HD13 LEU 5 3HD1 LEU 5 8.178 -5.287 -9.879 49 HD21 LEU 5 3HD2 LEU 5 7.073 -5.157 -6.531 50 HD22 LEU 5 1HD2 LEU 5 8.588 -5.268 -7.428 51 HD23 LEU 5 2HD2 LEU 5 7.206 -6.253 -7.908 52 H ARG 6 H ARG 6 4.590 -2.806 -9.001 53 HA ARG 6 HA ARG 6 5.096 -2.780 -11.809 54 HB2 ARG 6 2HB ARG 6 2.995 -3.882 -12.043 55 HB3 ARG 6 3HB ARG 6 3.747 -4.516 -10.585 56 HG2 ARG 6 2HG ARG 6 1.702 -4.164 -9.721 57 HG3 ARG 6 3HG ARG 6 2.308 -2.520 -9.517 58 HD2 ARG 6 2HD ARG 6 0.426 -1.968 -10.628 59 HD3 ARG 6 3HD ARG 6 1.387 -2.383 -12.046 60 HE ARG 6 HE ARG 6 0.240 -4.739 -11.297 61 HH11 ARG 6 1HH1 ARG 6 -0.958 -1.564 -12.077 62 HH12 ARG 6 2HH1 ARG 6 -2.466 -2.144 -12.701 63 HH21 ARG 6 1HH2 ARG 6 -1.743 -5.515 -12.114 64 HH22 ARG 6 2HH2 ARG 6 -2.913 -4.392 -12.721 65 H PHE 7 H PHE 7 3.285 -0.767 -9.596 66 HA PHE 7 HA PHE 7 1.882 0.675 -11.637 67 HB2 PHE 7 2HB PHE 7 0.875 0.567 -9.462 68 HB3 PHE 7 3HB PHE 7 2.324 1.210 -8.698 69 HD1 PHE 7 HD1 PHE 7 0.049 2.221 -11.483 70 HD2 PHE 7 HD2 PHE 7 2.129 3.360 -7.950 71 HE1 PHE 7 HE1 PHE 7 -0.862 4.497 -11.686 72 HE2 PHE 7 HE2 PHE 7 1.222 5.638 -8.146 73 HZ PHE 7 HZ PHE 7 -0.276 6.209 -10.015 74 H VAL 8 H VAL 8 4.602 1.468 -9.480 75 HA VAL 8 HA VAL 8 5.132 4.000 -10.603 76 HB VAL 8 HB VAL 8 7.010 2.144 -9.135 77 HG11 VAL 8 1HG1 VAL 8 8.328 4.160 -8.678 78 HG12 VAL 8 2HG1 VAL 8 8.230 3.824 -10.407 79 HG13 VAL 8 3HG1 VAL 8 7.239 5.099 -9.698 80 HG21 VAL 8 3HG2 VAL 8 5.813 2.637 -7.328 81 HG22 VAL 8 1HG2 VAL 8 6.243 4.333 -7.546 82 HG23 VAL 8 2HG2 VAL 8 4.764 3.698 -8.267 83 H ALA 9 H ALA 9 6.182 0.765 -11.440 84 HA ALA 9 HA ALA 9 8.370 1.269 -13.042 85 HB1 ALA 9 3HB ALA 9 7.875 -0.978 -12.631 86 HB2 ALA 9 1HB ALA 9 6.217 -0.814 -13.212 87 HB3 ALA 9 2HB ALA 9 7.559 -0.774 -14.355 88 H GLY 10 H GLY 10 4.941 1.227 -14.020 89 HA2 GLY 10 2HA GLY 10 5.491 2.009 -16.711 90 HA3 GLY 10 3HA GLY 10 3.915 1.996 -15.934 91 H TYR 11 H TYR 11 4.895 3.754 -13.751 92 HA TYR 11 HA TYR 11 4.242 6.241 -14.986 93 HB2 TYR 11 2HB TYR 11 3.738 5.467 -12.577 94 HB3 TYR 11 3HB TYR 11 5.390 5.958 -12.217 95 HD1 TYR 11 HD2 TYR 11 6.014 8.400 -12.960 96 HD2 TYR 11 HD1 TYR 11 2.034 7.020 -12.365 97 HE1 TYR 11 HE2 TYR 11 5.261 10.722 -12.654 98 HE2 TYR 11 HE1 TYR 11 1.269 9.336 -12.058 99 HH TYR 11 HH TYR 11 3.545 12.022 -11.944 100 H ASP 12 H ASP 12 7.203 4.690 -13.951 101 HA ASP 12 HA ASP 12 8.889 6.950 -14.038 102 HB2 ASP 12 2HB ASP 12 9.338 4.597 -13.058 103 HB3 ASP 12 3HB ASP 12 9.825 4.169 -14.695 104 H ILE 13 H ILE 13 7.658 4.819 -16.504 105 HA ILE 13 HA ILE 13 9.471 5.865 -18.523 106 HB ILE 13 HB ILE 13 7.181 3.914 -18.798 107 HG12 ILE 13 2HG1 ILE 13 9.839 2.862 -19.254 108 HG13 ILE 13 3HG1 ILE 13 9.715 3.567 -17.646 109 HG21 ILE 13 1HG2 ILE 13 8.160 3.399 -20.987 110 HG22 ILE 13 2HG2 ILE 13 7.632 5.078 -20.882 111 HG23 ILE 13 3HG2 ILE 13 9.345 4.683 -20.752 112 HD11 ILE 13 3HD1 ILE 13 7.407 2.110 -17.836 113 HD12 ILE 13 1HD1 ILE 13 8.573 1.113 -18.707 114 HD13 ILE 13 2HD1 ILE 13 8.893 1.592 -17.040 115 H ALA 14 H ALA 14 5.994 5.887 -17.809 116 HA ALA 14 HA ALA 14 5.204 7.442 -20.016 117 HB1 ALA 14 3HB ALA 14 3.744 6.079 -18.432 118 HB2 ALA 14 1HB ALA 14 3.804 7.478 -17.360 119 HB3 ALA 14 2HB ALA 14 3.112 7.633 -18.975 120 H SER 15 H SER 15 6.311 8.318 -16.786 121 HA SER 15 HA SER 15 5.735 11.099 -17.045 122 HB2 SER 15 2HB SER 15 6.011 9.877 -14.862 123 HB3 SER 15 3HB SER 15 7.743 9.808 -15.186 124 HG SER 15 HG SER 15 7.537 11.628 -14.037 125 H HIS 16 H HIS 16 8.401 9.057 -17.934 126 HA HIS 16 HA HIS 16 10.247 11.238 -18.337 127 HB2 HIS 16 2HB HIS 16 11.057 9.008 -17.680 128 HB3 HIS 16 3HB HIS 16 10.434 8.339 -19.184 129 HD1 HIS 16 HD1 HIS 16 12.848 7.592 -19.825 130 HD2 HIS 16 HD2 HIS 16 12.355 11.698 -19.432 131 HE1 HIS 16 HE1 HIS 16 14.892 8.618 -20.870 132 H LYS 17 H LYS 17 8.024 9.342 -20.259 133 HA LYS 17 HA LYS 17 9.008 10.294 -22.786 134 HB2 LYS 17 2HB LYS 17 7.344 8.219 -21.953 135 HB3 LYS 17 3HB LYS 17 6.273 9.308 -22.824 136 HG2 LYS 17 2HG LYS 17 7.398 9.032 -24.822 137 HG3 LYS 17 3HG LYS 17 8.882 8.496 -24.030 138 HD2 LYS 17 2HD LYS 17 7.141 6.570 -23.237 139 HD3 LYS 17 3HD LYS 17 6.502 6.965 -24.834 140 HE2 LYS 17 2HE LYS 17 9.287 6.828 -25.127 141 HE3 LYS 17 3HE LYS 17 8.839 5.448 -24.124 142 HZ1 LYS 17 3HZ LYS 17 7.924 4.429 -25.856 143 HZ2 LYS 17 1HZ LYS 17 8.663 5.587 -26.841 144 HZ3 LYS 17 2HZ LYS 17 7.064 5.804 -26.336 145 H LYS 18 H LYS 18 5.972 10.822 -20.986 146 HA LYS 18 HA LYS 18 5.245 13.048 -22.656 147 HB2 LYS 18 2HB LYS 18 4.033 11.991 -20.098 148 HB3 LYS 18 3HB LYS 18 3.336 13.278 -21.073 149 HG2 LYS 18 2HG LYS 18 3.686 11.290 -22.913 150 HG3 LYS 18 3HG LYS 18 3.272 10.387 -21.454 151 HD2 LYS 18 2HD LYS 18 1.349 12.067 -21.197 152 HD3 LYS 18 3HD LYS 18 1.675 12.494 -22.879 153 HE2 LYS 18 2HE LYS 18 -0.053 10.854 -22.881 154 HE3 LYS 18 3HE LYS 18 1.419 10.069 -23.450 155 HZ1 LYS 18 3HZ LYS 18 -0.013 8.868 -21.723 156 HZ2 LYS 18 1HZ LYS 18 0.649 9.952 -20.604 157 HZ3 LYS 18 2HZ LYS 18 1.660 8.911 -21.474 158 H LYS 19 H LYS 19 6.035 12.706 -19.196 159 HA LYS 19 HA LYS 19 6.847 14.183 -17.666 160 HB2 LYS 19 2HB LYS 19 8.661 14.133 -19.548 161 HB3 LYS 19 3HB LYS 19 8.092 15.761 -19.891 162 HG2 LYS 19 2HG LYS 19 8.779 16.566 -17.806 163 HG3 LYS 19 3HG LYS 19 8.931 14.942 -17.132 164 HD2 LYS 19 2HD LYS 19 11.138 15.584 -17.521 165 HD3 LYS 19 3HD LYS 19 10.742 14.595 -18.928 166 HE2 LYS 19 2HE LYS 19 9.979 17.224 -19.566 167 HE3 LYS 19 3HE LYS 19 11.566 17.341 -18.808 168 HZ1 LYS 19 3HZ LYS 19 12.287 16.874 -20.863 169 HZ2 LYS 19 1HZ LYS 19 10.817 16.196 -21.357 170 HZ3 LYS 19 2HZ LYS 19 11.917 15.272 -20.466 171 H THR 20 H THR 20 4.826 15.048 -17.100 172 HA THR 20 HA THR 20 4.582 17.867 -17.559 173 HB THR 20 HB THR 20 3.449 17.279 -19.562 174 HG1 THR 20 HG1 THR 20 1.171 17.789 -18.889 175 HG21 THR 20 1HG2 THR 20 3.052 14.949 -19.277 176 HG22 THR 20 2HG2 THR 20 1.475 15.708 -19.498 177 HG23 THR 20 3HG2 THR 20 2.007 15.232 -17.886 178 H GLY 21 H GLY 21 3.014 18.870 -16.180 179 HA2 GLY 21 2HA GLY 21 1.256 18.671 -14.525 180 HA3 GLY 21 3HA GLY 21 1.896 17.087 -14.113 181 H GLY 22 H GLY 22 2.359 20.547 -13.803 182 HA2 GLY 22 2HA GLY 22 3.419 21.776 -12.177 183 HA3 GLY 22 3HA GLY 22 3.462 20.310 -11.209 184 H TYR 23 H TYR 23 5.217 22.401 -13.322 185 HA TYR 23 HA TYR 23 7.441 20.750 -13.849 186 HB2 TYR 23 2HB TYR 23 6.917 23.689 -13.935 187 HB3 TYR 23 3HB TYR 23 8.585 23.131 -14.024 188 HD1 TYR 23 HD1 TYR 23 8.560 20.811 -15.670 189 HD2 TYR 23 HD2 TYR 23 6.175 24.316 -16.025 190 HE1 TYR 23 HE1 TYR 23 8.291 20.378 -18.076 191 HE2 TYR 23 HE2 TYR 23 5.897 23.891 -18.431 192 HH TYR 23 HH TYR 23 7.752 21.542 -20.108 193 HA PRO 24 HA PRO 24 9.780 20.742 -10.138 194 HB2 PRO 24 2HB PRO 24 12.323 21.003 -11.052 195 HB3 PRO 24 3HB PRO 24 11.374 19.526 -11.259 196 HG2 PRO 24 2HG PRO 24 11.881 21.741 -13.209 197 HG3 PRO 24 3HG PRO 24 11.895 19.988 -13.478 198 HD2 PRO 24 2HD PRO 24 9.789 21.550 -14.156 199 HD3 PRO 24 3HD PRO 24 9.598 19.865 -13.626 200 H TRP 25 H TRP 25 10.293 23.420 -12.345 201 HA TRP 25 HA TRP 25 11.414 25.046 -10.178 202 HB2 TRP 25 2HB TRP 25 11.809 26.713 -12.052 203 HB3 TRP 25 3HB TRP 25 12.719 25.208 -12.158 204 HD1 TRP 25 HD1 TRP 25 12.465 23.833 -14.334 205 HE1 TRP 25 HE1 TRP 25 11.027 24.049 -16.456 206 HE3 TRP 25 HE3 TRP 25 9.330 27.573 -12.812 207 HZ2 TRP 25 HZ2 TRP 25 8.850 25.599 -17.367 208 HZ3 TRP 25 HZ3 TRP 25 7.597 28.366 -14.370 209 HH2 TRP 25 HH2 TRP 25 7.364 27.398 -16.599 210 H GLU 26 H GLU 26 8.517 24.492 -11.896 211 HA GLU 26 HA GLU 26 7.408 27.106 -11.202 212 HB2 GLU 26 2HB GLU 26 7.065 25.635 -13.428 213 HB3 GLU 26 3HB GLU 26 5.709 25.040 -12.481 214 HG2 GLU 26 2HG GLU 26 6.038 27.966 -12.575 215 HG3 GLU 26 3HG GLU 26 5.581 27.181 -14.085 216 H ARG 27 H ARG 27 8.021 25.686 -8.967 217 HA ARG 27 HA ARG 27 5.406 24.717 -8.015 218 HB2 ARG 27 2HB ARG 27 7.808 23.361 -8.000 219 HB3 ARG 27 3HB ARG 27 7.715 24.009 -6.367 220 HG2 ARG 27 2HG ARG 27 5.366 23.024 -6.290 221 HG3 ARG 27 3HG ARG 27 5.825 22.132 -7.743 222 HD2 ARG 27 2HD ARG 27 7.945 21.804 -5.942 223 HD3 ARG 27 3HD ARG 27 6.474 21.606 -4.990 224 HE ARG 27 HE ARG 27 5.992 20.062 -7.142 225 HH11 ARG 27 1HH1 ARG 27 8.692 20.285 -4.956 226 HH12 ARG 27 2HH1 ARG 27 9.126 18.616 -5.115 227 HH21 ARG 27 1HH2 ARG 27 6.553 17.862 -7.360 228 HH22 ARG 27 2HH2 ARG 27 7.910 17.239 -6.484 229 H GLY 28 H GLY 28 6.263 27.485 -8.114 230 HA2 GLY 28 2HA GLY 28 5.655 29.202 -6.611 231 HA3 GLY 28 3HA GLY 28 5.917 28.093 -5.273 232 H LYS 29 H LYS 29 8.493 27.197 -5.917 233 HA LYS 29 HA LYS 29 10.681 27.721 -5.584 234 HB2 LYS 29 2HB LYS 29 9.795 29.404 -7.614 235 HB3 LYS 29 3HB LYS 29 10.610 30.486 -6.493 236 HG2 LYS 29 2HG LYS 29 12.324 28.317 -6.719 237 HG3 LYS 29 3HG LYS 29 11.717 28.578 -8.356 238 HD2 LYS 29 2HD LYS 29 13.382 30.094 -8.456 239 HD3 LYS 29 3HD LYS 29 12.227 31.124 -7.607 240 HE2 LYS 29 2HE LYS 29 14.231 31.303 -6.390 241 HE3 LYS 29 3HE LYS 29 13.218 30.203 -5.457 242 HZ1 LYS 29 3HZ LYS 29 14.443 28.383 -6.752 243 HZ2 LYS 29 1HZ LYS 29 15.268 29.159 -5.495 244 HZ3 LYS 29 2HZ LYS 29 15.585 29.581 -7.102 245 H ALA 30 H ALA 30 8.710 28.304 -3.524 246 HA ALA 30 HA ALA 30 10.324 30.183 -1.960 247 HB1 ALA 30 3HB ALA 30 7.377 30.366 -1.632 248 HB2 ALA 30 1HB ALA 30 8.623 31.593 -1.395 249 HB3 ALA 30 2HB ALA 30 8.110 31.157 -3.026 Start of MODEL 8 1 H1 MET 1 H MET 1 1.977 1.771 -2.251 2 HA MET 1 HA MET 1 1.131 -0.425 -0.719 3 HB2 MET 1 2HB MET 1 0.994 0.417 -3.462 4 HB3 MET 1 3HB MET 1 1.421 -1.288 -3.394 5 HG2 MET 1 2HG MET 1 -0.727 -0.626 -1.566 6 HG3 MET 1 3HG MET 1 -1.114 -0.215 -3.235 7 HE1 MET 1 3HE MET 1 -2.177 -3.180 -4.821 8 HE2 MET 1 1HE MET 1 -1.740 -1.472 -4.862 9 HE3 MET 1 2HE MET 1 -0.548 -2.696 -5.299 10 H LYS 2 H LYS 2 1.782 -2.735 -1.261 11 HA LYS 2 HA LYS 2 4.607 -2.996 -0.743 12 HB2 LYS 2 2HB LYS 2 2.222 -4.697 -0.545 13 HB3 LYS 2 3HB LYS 2 3.671 -5.556 -1.052 14 HG2 LYS 2 2HG LYS 2 4.087 -5.751 1.128 15 HG3 LYS 2 3HG LYS 2 4.602 -4.066 1.035 16 HD2 LYS 2 2HD LYS 2 1.970 -3.697 1.362 17 HD3 LYS 2 3HD LYS 2 2.143 -5.247 2.190 18 HE2 LYS 2 2HE LYS 2 4.264 -3.449 2.940 19 HE3 LYS 2 3HE LYS 2 2.693 -2.696 3.206 20 HZ1 LYS 2 3HZ LYS 2 3.952 -4.822 4.645 21 HZ2 LYS 2 1HZ LYS 2 2.385 -5.232 4.156 22 HZ3 LYS 2 2HZ LYS 2 2.644 -3.847 5.091 23 H THR 3 H THR 3 2.371 -3.820 -3.351 24 HA THR 3 HA THR 3 4.663 -4.631 -5.009 25 HB THR 3 HB THR 3 2.837 -6.302 -4.759 26 HG1 THR 3 HG1 THR 3 2.784 -6.772 -6.969 27 HG21 THR 3 1HG2 THR 3 1.023 -4.964 -6.605 28 HG22 THR 3 2HG2 THR 3 1.155 -4.137 -5.054 29 HG23 THR 3 3HG2 THR 3 0.676 -5.833 -5.111 30 H ILE 4 H ILE 4 4.061 -1.872 -4.496 31 HA ILE 4 HA ILE 4 2.624 -0.728 -6.664 32 HB ILE 4 HB ILE 4 3.105 0.418 -4.479 33 HG12 ILE 4 2HG1 ILE 4 3.984 1.954 -6.932 34 HG13 ILE 4 3HG1 ILE 4 2.306 1.591 -6.538 35 HG21 ILE 4 1HG2 ILE 4 5.536 -0.244 -4.488 36 HG22 ILE 4 2HG2 ILE 4 5.794 1.023 -5.685 37 HG23 ILE 4 3HG2 ILE 4 5.206 1.439 -4.075 38 HD11 ILE 4 3HD1 ILE 4 2.404 3.648 -5.634 39 HD12 ILE 4 1HD1 ILE 4 3.048 2.760 -4.253 40 HD13 ILE 4 2HD1 ILE 4 4.146 3.572 -5.370 41 H LEU 5 H LEU 5 5.640 -2.208 -6.502 42 HA LEU 5 HA LEU 5 7.286 -0.735 -8.153 43 HB2 LEU 5 2HB LEU 5 8.525 -2.682 -8.504 44 HB3 LEU 5 3HB LEU 5 7.770 -2.908 -6.927 45 HG LEU 5 HG LEU 5 5.956 -4.166 -8.418 46 HD11 LEU 5 1HD1 LEU 5 7.910 -3.604 -10.310 47 HD12 LEU 5 2HD1 LEU 5 6.583 -4.756 -10.464 48 HD13 LEU 5 3HD1 LEU 5 8.162 -5.301 -9.896 49 HD21 LEU 5 3HD2 LEU 5 8.580 -5.274 -7.433 50 HD22 LEU 5 1HD2 LEU 5 7.207 -6.265 -7.929 51 HD23 LEU 5 2HD2 LEU 5 7.056 -5.178 -6.549 52 H ARG 6 H ARG 6 4.585 -2.811 -9.005 53 HA ARG 6 HA ARG 6 5.084 -2.782 -11.815 54 HB2 ARG 6 2HB ARG 6 2.942 -3.844 -12.040 55 HB3 ARG 6 3HB ARG 6 3.746 -4.531 -10.636 56 HG2 ARG 6 2HG ARG 6 1.715 -4.209 -9.711 57 HG3 ARG 6 3HG ARG 6 2.369 -2.596 -9.420 58 HD2 ARG 6 2HD ARG 6 0.491 -1.908 -10.446 59 HD3 ARG 6 3HD ARG 6 1.375 -2.298 -11.920 60 HE ARG 6 HE ARG 6 0.060 -4.604 -11.025 61 HH11 ARG 6 1HH1 ARG 6 -0.665 -1.470 -12.355 62 HH12 ARG 6 2HH1 ARG 6 -2.135 -1.988 -13.113 63 HH21 ARG 6 1HH2 ARG 6 -1.873 -5.297 -12.018 64 HH22 ARG 6 2HH2 ARG 6 -2.821 -4.165 -12.919 65 H PHE 7 H PHE 7 3.284 -0.765 -9.595 66 HA PHE 7 HA PHE 7 1.880 0.682 -11.630 67 HB2 PHE 7 2HB PHE 7 0.878 0.575 -9.454 68 HB3 PHE 7 3HB PHE 7 2.330 1.213 -8.691 69 HD1 PHE 7 HD2 PHE 7 0.054 2.233 -11.473 70 HD2 PHE 7 HD1 PHE 7 2.139 3.360 -7.937 71 HE1 PHE 7 HE2 PHE 7 -0.851 4.513 -11.669 72 HE2 PHE 7 HE1 PHE 7 1.236 5.641 -8.128 73 HZ PHE 7 HZ PHE 7 -0.260 6.220 -9.996 74 H VAL 8 H VAL 8 4.601 1.474 -9.472 75 HA VAL 8 HA VAL 8 5.137 4.003 -10.593 76 HB VAL 8 HB VAL 8 7.015 2.138 -9.134 77 HG11 VAL 8 1HG1 VAL 8 8.236 3.818 -10.406 78 HG12 VAL 8 2HG1 VAL 8 7.249 5.095 -9.691 79 HG13 VAL 8 3HG1 VAL 8 8.339 4.149 -8.677 80 HG21 VAL 8 3HG2 VAL 8 5.825 2.629 -7.323 81 HG22 VAL 8 1HG2 VAL 8 6.256 4.325 -7.539 82 HG23 VAL 8 2HG2 VAL 8 4.774 3.695 -8.257 83 H ALA 9 H ALA 9 6.177 0.767 -11.441 84 HA ALA 9 HA ALA 9 8.362 1.270 -13.048 85 HB1 ALA 9 3HB ALA 9 7.810 -0.978 -12.598 86 HB2 ALA 9 1HB ALA 9 6.194 -0.800 -13.282 87 HB3 ALA 9 2HB ALA 9 7.608 -0.775 -14.338 88 H GLY 10 H GLY 10 4.930 1.243 -14.013 89 HA2 GLY 10 2HA GLY 10 5.472 2.024 -16.704 90 HA3 GLY 10 3HA GLY 10 3.899 2.018 -15.921 91 H TYR 11 H TYR 11 4.897 3.770 -13.741 92 HA TYR 11 HA TYR 11 4.253 6.261 -14.972 93 HB2 TYR 11 2HB TYR 11 3.732 5.504 -12.573 94 HB3 TYR 11 3HB TYR 11 5.394 5.947 -12.204 95 HD1 TYR 11 HD2 TYR 11 6.081 8.380 -12.969 96 HD2 TYR 11 HD1 TYR 11 2.078 7.097 -12.311 97 HE1 TYR 11 HE2 TYR 11 5.389 10.719 -12.650 98 HE2 TYR 11 HE1 TYR 11 1.375 9.432 -11.991 99 HH TYR 11 HH TYR 11 2.577 11.861 -12.941 100 H ASP 12 H ASP 12 7.208 4.704 -13.917 101 HA ASP 12 HA ASP 12 8.903 6.953 -14.015 102 HB2 ASP 12 2HB ASP 12 9.324 4.574 -13.046 103 HB3 ASP 12 3HB ASP 12 9.856 4.184 -14.680 104 H ILE 13 H ILE 13 7.683 4.806 -16.477 105 HA ILE 13 HA ILE 13 9.494 5.857 -18.495 106 HB ILE 13 HB ILE 13 7.220 3.887 -18.769 107 HG12 ILE 13 2HG1 ILE 13 9.897 2.865 -19.204 108 HG13 ILE 13 3HG1 ILE 13 9.739 3.558 -17.594 109 HG21 ILE 13 1HG2 ILE 13 7.669 5.045 -20.857 110 HG22 ILE 13 2HG2 ILE 13 9.385 4.666 -20.716 111 HG23 ILE 13 3HG2 ILE 13 8.212 3.370 -20.952 112 HD11 ILE 13 3HD1 ILE 13 8.604 1.112 -18.713 113 HD12 ILE 13 1HD1 ILE 13 8.973 1.537 -17.043 114 HD13 ILE 13 2HD1 ILE 13 7.466 2.083 -17.779 115 H ALA 14 H ALA 14 6.020 5.872 -17.771 116 HA ALA 14 HA ALA 14 5.215 7.399 -19.994 117 HB1 ALA 14 3HB ALA 14 3.791 7.537 -17.365 118 HB2 ALA 14 1HB ALA 14 3.125 7.517 -18.999 119 HB3 ALA 14 2HB ALA 14 3.802 6.044 -18.303 120 H SER 15 H SER 15 6.343 8.312 -16.782 121 HA SER 15 HA SER 15 5.748 11.086 -17.055 122 HB2 SER 15 2HB SER 15 7.049 11.377 -15.025 123 HB3 SER 15 3HB SER 15 6.040 9.940 -14.861 124 HG SER 15 HG SER 15 7.998 8.785 -15.632 125 H HIS 16 H HIS 16 8.418 9.058 -17.967 126 HA HIS 16 HA HIS 16 10.276 11.208 -18.379 127 HB2 HIS 16 2HB HIS 16 10.636 8.581 -18.004 128 HB3 HIS 16 3HB HIS 16 10.658 8.605 -19.765 129 HD1 HIS 16 HD1 HIS 16 13.154 7.949 -17.964 130 HD2 HIS 16 HD2 HIS 16 12.333 11.622 -19.723 131 HE1 HIS 16 HE1 HIS 16 15.373 9.117 -18.147 132 H LYS 17 H LYS 17 7.993 9.407 -20.341 133 HA LYS 17 HA LYS 17 8.905 10.519 -22.830 134 HB2 LYS 17 2HB LYS 17 6.952 8.542 -21.959 135 HB3 LYS 17 3HB LYS 17 6.326 9.568 -23.243 136 HG2 LYS 17 2HG LYS 17 7.305 8.064 -24.583 137 HG3 LYS 17 3HG LYS 17 8.769 8.983 -24.230 138 HD2 LYS 17 2HD LYS 17 8.958 7.381 -22.187 139 HD3 LYS 17 3HD LYS 17 7.863 6.357 -23.120 140 HE2 LYS 17 2HE LYS 17 9.515 5.690 -24.454 141 HE3 LYS 17 3HE LYS 17 10.008 7.353 -24.771 142 HZ1 LYS 17 3HZ LYS 17 10.904 6.939 -22.261 143 HZ2 LYS 17 1HZ LYS 17 11.842 6.787 -23.659 144 HZ3 LYS 17 2HZ LYS 17 11.136 5.417 -22.963 145 H LYS 18 H LYS 18 5.857 10.850 -21.001 146 HA LYS 18 HA LYS 18 5.015 13.122 -22.510 147 HB2 LYS 18 2HB LYS 18 3.998 11.581 -20.190 148 HB3 LYS 18 3HB LYS 18 3.449 13.246 -20.322 149 HG2 LYS 18 2HG LYS 18 2.549 12.826 -22.516 150 HG3 LYS 18 3HG LYS 18 3.207 11.187 -22.506 151 HD2 LYS 18 2HD LYS 18 1.732 11.302 -20.176 152 HD3 LYS 18 3HD LYS 18 0.758 12.227 -21.320 153 HE2 LYS 18 2HE LYS 18 1.177 10.240 -22.920 154 HE3 LYS 18 3HE LYS 18 1.628 9.363 -21.459 155 HZ1 LYS 18 3HZ LYS 18 -0.723 10.561 -20.799 156 HZ2 LYS 18 1HZ LYS 18 -0.533 8.943 -21.256 157 HZ3 LYS 18 2HZ LYS 18 -0.971 10.102 -22.408 158 H LYS 19 H LYS 19 6.012 12.761 -19.102 159 HA LYS 19 HA LYS 19 6.968 14.211 -17.634 160 HB2 LYS 19 2HB LYS 19 8.679 14.297 -19.480 161 HB3 LYS 19 3HB LYS 19 7.875 15.744 -20.074 162 HG2 LYS 19 2HG LYS 19 8.350 16.172 -17.339 163 HG3 LYS 19 3HG LYS 19 9.829 15.477 -18.005 164 HD2 LYS 19 2HD LYS 19 9.193 17.274 -19.933 165 HD3 LYS 19 3HD LYS 19 8.572 18.094 -18.498 166 HE2 LYS 19 2HE LYS 19 10.645 18.765 -18.066 167 HE3 LYS 19 3HE LYS 19 11.076 17.083 -17.766 168 HZ1 LYS 19 3HZ LYS 19 12.562 17.964 -19.386 169 HZ2 LYS 19 1HZ LYS 19 11.290 18.550 -20.336 170 HZ3 LYS 19 2HZ LYS 19 11.531 16.883 -20.181 171 H THR 20 H THR 20 5.069 14.997 -16.744 172 HA THR 20 HA THR 20 4.595 17.791 -17.107 173 HB THR 20 HB THR 20 3.260 17.124 -18.982 174 HG1 THR 20 HG1 THR 20 1.663 18.356 -18.335 175 HG21 THR 20 1HG2 THR 20 1.912 15.170 -17.113 176 HG22 THR 20 2HG2 THR 20 2.989 14.760 -18.448 177 HG23 THR 20 3HG2 THR 20 1.423 15.502 -18.773 178 H GLY 21 H GLY 21 3.335 18.695 -15.447 179 HA2 GLY 21 2HA GLY 21 2.259 18.787 -13.407 180 HA3 GLY 21 3HA GLY 21 1.930 17.068 -13.555 181 H GLY 22 H GLY 22 4.247 19.470 -12.479 182 HA2 GLY 22 2HA GLY 22 5.781 17.356 -11.118 183 HA3 GLY 22 3HA GLY 22 6.367 18.978 -11.456 184 H TYR 23 H TYR 23 6.212 20.485 -9.909 185 HA TYR 23 HA TYR 23 5.485 19.756 -7.285 186 HB2 TYR 23 2HB TYR 23 6.293 22.297 -8.629 187 HB3 TYR 23 3HB TYR 23 5.592 22.388 -7.017 188 HD1 TYR 23 HD1 TYR 23 6.667 20.197 -5.558 189 HD2 TYR 23 HD2 TYR 23 8.578 22.575 -8.524 190 HE1 TYR 23 HE1 TYR 23 8.856 19.658 -4.572 191 HE2 TYR 23 HE2 TYR 23 10.771 22.041 -7.548 192 HH TYR 23 HH TYR 23 11.820 20.419 -6.153 193 HA PRO 24 HA PRO 24 1.204 20.662 -6.974 194 HB2 PRO 24 2HB PRO 24 1.031 21.823 -4.525 195 HB3 PRO 24 3HB PRO 24 1.345 20.097 -4.752 196 HG2 PRO 24 2HG PRO 24 3.274 22.313 -4.175 197 HG3 PRO 24 3HG PRO 24 3.201 20.684 -3.480 198 HD2 PRO 24 2HD PRO 24 4.942 21.355 -5.442 199 HD3 PRO 24 3HD PRO 24 4.250 19.727 -5.295 200 H TRP 25 H TRP 25 3.443 23.308 -6.432 201 HA TRP 25 HA TRP 25 1.329 25.264 -6.975 202 HB2 TRP 25 2HB TRP 25 3.142 26.930 -6.356 203 HB3 TRP 25 3HB TRP 25 2.604 25.864 -5.061 204 HD1 TRP 25 HD1 TRP 25 4.416 24.457 -3.868 205 HE1 TRP 25 HE1 TRP 25 6.943 24.095 -4.204 206 HE3 TRP 25 HE3 TRP 25 4.982 26.808 -8.372 207 HZ2 TRP 25 HZ2 TRP 25 8.914 24.723 -6.124 208 HZ3 TRP 25 HZ3 TRP 25 7.221 26.884 -9.390 209 HH2 TRP 25 HH2 TRP 25 9.145 25.863 -8.287 210 H GLU 26 H GLU 26 3.950 23.661 -8.463 211 HA GLU 26 HA GLU 26 4.246 25.696 -10.536 212 HB2 GLU 26 2HB GLU 26 6.118 24.167 -9.381 213 HB3 GLU 26 3HB GLU 26 5.687 23.105 -10.714 214 HG2 GLU 26 2HG GLU 26 6.050 25.813 -11.628 215 HG3 GLU 26 3HG GLU 26 7.473 25.233 -10.763 216 H ARG 27 H ARG 27 1.729 24.629 -10.524 217 HA ARG 27 HA ARG 27 1.683 22.609 -12.646 218 HB2 ARG 27 2HB ARG 27 0.257 22.599 -10.423 219 HB3 ARG 27 3HB ARG 27 -0.798 23.656 -11.353 220 HG2 ARG 27 2HG ARG 27 -0.308 21.586 -13.093 221 HG3 ARG 27 3HG ARG 27 -0.410 20.782 -11.525 222 HD2 ARG 27 2HD ARG 27 -2.463 22.654 -12.700 223 HD3 ARG 27 3HD ARG 27 -2.596 20.899 -12.605 224 HE ARG 27 HE ARG 27 -3.059 22.788 -10.495 225 HH11 ARG 27 1HH1 ARG 27 -2.154 19.509 -11.238 226 HH12 ARG 27 2HH1 ARG 27 -2.677 18.881 -9.711 227 HH21 ARG 27 1HH2 ARG 27 -3.749 21.972 -8.480 228 HH22 ARG 27 2HH2 ARG 27 -3.585 20.282 -8.142 229 H GLY 28 H GLY 28 2.525 25.243 -13.309 230 HA2 GLY 28 2HA GLY 28 2.156 26.395 -15.339 231 HA3 GLY 28 3HA GLY 28 0.482 25.863 -15.309 232 H LYS 29 H LYS 29 2.114 27.327 -12.572 233 HA LYS 29 HA LYS 29 0.341 29.663 -12.861 234 HB2 LYS 29 2HB LYS 29 0.945 27.920 -10.605 235 HB3 LYS 29 3HB LYS 29 1.192 29.618 -10.220 236 HG2 LYS 29 2HG LYS 29 -0.985 29.890 -9.957 237 HG3 LYS 29 3HG LYS 29 -1.265 29.378 -11.624 238 HD2 LYS 29 2HD LYS 29 -2.481 27.783 -10.532 239 HD3 LYS 29 3HD LYS 29 -0.911 26.979 -10.558 240 HE2 LYS 29 2HE LYS 29 -0.791 28.513 -8.276 241 HE3 LYS 29 3HE LYS 29 -2.470 27.978 -8.307 242 HZ1 LYS 29 3HZ LYS 29 -0.019 26.346 -8.174 243 HZ2 LYS 29 1HZ LYS 29 -1.465 25.680 -8.744 244 HZ3 LYS 29 2HZ LYS 29 -1.381 26.298 -7.173 245 H ALA 30 H ALA 30 3.593 28.557 -12.203 246 HA ALA 30 HA ALA 30 5.600 29.627 -12.097 247 HB1 ALA 30 3HB ALA 30 4.776 30.313 -14.378 248 HB2 ALA 30 1HB ALA 30 4.278 31.841 -13.649 249 HB3 ALA 30 2HB ALA 30 5.981 31.376 -13.650 Start of MODEL 9 1 H1 MET 1 H MET 1 1.212 -0.437 0.659 2 HA MET 1 HA MET 1 0.415 -1.585 -1.493 3 HB2 MET 1 2HB MET 1 1.530 1.029 -2.523 4 HB3 MET 1 3HB MET 1 1.100 -0.347 -3.528 5 HG2 MET 1 2HG MET 1 -1.221 -0.147 -2.852 6 HG3 MET 1 3HG MET 1 -0.808 1.189 -1.781 7 HE1 MET 1 3HE MET 1 -2.906 2.349 -3.093 8 HE2 MET 1 1HE MET 1 -2.870 2.744 -4.811 9 HE3 MET 1 2HE MET 1 -3.026 1.064 -4.295 10 H LYS 2 H LYS 2 1.861 -3.163 -1.173 11 HA LYS 2 HA LYS 2 4.696 -2.558 -0.960 12 HB2 LYS 2 2HB LYS 2 3.793 -4.187 0.586 13 HB3 LYS 2 3HB LYS 2 3.160 -5.152 -0.741 14 HG2 LYS 2 2HG LYS 2 5.185 -6.047 -1.243 15 HG3 LYS 2 3HG LYS 2 6.074 -4.617 -0.714 16 HD2 LYS 2 2HD LYS 2 6.618 -5.989 1.010 17 HD3 LYS 2 3HD LYS 2 5.083 -5.393 1.644 18 HE2 LYS 2 2HE LYS 2 3.942 -7.350 1.003 19 HE3 LYS 2 3HE LYS 2 5.258 -7.869 -0.048 20 HZ1 LYS 2 3HZ LYS 2 5.543 -7.630 2.893 21 HZ2 LYS 2 1HZ LYS 2 6.596 -8.391 1.809 22 HZ3 LYS 2 2HZ LYS 2 5.078 -9.064 2.128 23 H THR 3 H THR 3 2.429 -3.849 -3.258 24 HA THR 3 HA THR 3 4.601 -4.665 -5.051 25 HB THR 3 HB THR 3 2.711 -6.247 -4.684 26 HG1 THR 3 HG1 THR 3 3.332 -6.844 -6.609 27 HG21 THR 3 1HG2 THR 3 0.966 -4.430 -4.539 28 HG22 THR 3 2HG2 THR 3 0.536 -5.809 -5.551 29 HG23 THR 3 3HG2 THR 3 1.067 -4.300 -6.294 30 H ILE 4 H ILE 4 4.039 -1.862 -4.502 31 HA ILE 4 HA ILE 4 2.604 -0.722 -6.677 32 HB ILE 4 HB ILE 4 3.074 0.430 -4.491 33 HG12 ILE 4 2HG1 ILE 4 3.969 1.959 -6.942 34 HG13 ILE 4 3HG1 ILE 4 2.289 1.598 -6.559 35 HG21 ILE 4 1HG2 ILE 4 5.504 -0.234 -4.482 36 HG22 ILE 4 2HG2 ILE 4 5.770 1.029 -5.683 37 HG23 ILE 4 3HG2 ILE 4 5.173 1.450 -4.077 38 HD11 ILE 4 3HD1 ILE 4 3.413 2.797 -4.272 39 HD12 ILE 4 1HD1 ILE 4 3.910 3.758 -5.665 40 HD13 ILE 4 2HD1 ILE 4 2.198 3.455 -5.369 41 H LEU 5 H LEU 5 5.618 -2.203 -6.494 42 HA LEU 5 HA LEU 5 7.275 -0.735 -8.138 43 HB2 LEU 5 2HB LEU 5 8.513 -2.684 -8.479 44 HB3 LEU 5 3HB LEU 5 7.749 -2.908 -6.906 45 HG LEU 5 HG LEU 5 5.942 -4.164 -8.406 46 HD11 LEU 5 1HD1 LEU 5 6.579 -4.741 -10.453 47 HD12 LEU 5 2HD1 LEU 5 8.143 -5.314 -9.871 48 HD13 LEU 5 3HD1 LEU 5 7.924 -3.613 -10.281 49 HD21 LEU 5 3HD2 LEU 5 8.562 -5.324 -7.464 50 HD22 LEU 5 1HD2 LEU 5 7.123 -6.258 -7.868 51 HD23 LEU 5 2HD2 LEU 5 7.091 -5.133 -6.509 52 H ARG 6 H ARG 6 4.576 -2.809 -9.003 53 HA ARG 6 HA ARG 6 5.091 -2.784 -11.810 54 HB2 ARG 6 2HB ARG 6 2.966 -3.859 -12.048 55 HB3 ARG 6 3HB ARG 6 3.740 -4.524 -10.615 56 HG2 ARG 6 2HG ARG 6 1.682 -4.190 -9.749 57 HG3 ARG 6 3HG ARG 6 2.339 -2.578 -9.455 58 HD2 ARG 6 2HD ARG 6 0.527 -1.852 -10.553 59 HD3 ARG 6 3HD ARG 6 1.399 -2.345 -12.004 60 HE ARG 6 HE ARG 6 -0.157 -3.980 -12.303 61 HH11 ARG 6 1HH1 ARG 6 -0.183 -3.032 -8.954 62 HH12 ARG 6 2HH1 ARG 6 -1.530 -4.041 -8.543 63 HH21 ARG 6 1HH2 ARG 6 -1.932 -5.312 -11.776 64 HH22 ARG 6 2HH2 ARG 6 -2.524 -5.338 -10.149 65 H PHE 7 H PHE 7 3.278 -0.764 -9.602 66 HA PHE 7 HA PHE 7 1.886 0.682 -11.647 67 HB2 PHE 7 2HB PHE 7 0.873 0.577 -9.476 68 HB3 PHE 7 3HB PHE 7 2.322 1.216 -8.706 69 HD1 PHE 7 HD2 PHE 7 0.054 2.233 -11.496 70 HD2 PHE 7 HD1 PHE 7 2.134 3.366 -7.960 71 HE1 PHE 7 HE2 PHE 7 -0.848 4.512 -11.700 72 HE2 PHE 7 HE1 PHE 7 1.234 5.647 -8.157 73 HZ PHE 7 HZ PHE 7 -0.259 6.223 -10.030 74 H VAL 8 H VAL 8 4.606 1.462 -9.485 75 HA VAL 8 HA VAL 8 5.147 3.994 -10.604 76 HB VAL 8 HB VAL 8 7.013 2.132 -9.128 77 HG11 VAL 8 1HG1 VAL 8 8.336 4.143 -8.668 78 HG12 VAL 8 2HG1 VAL 8 8.244 3.806 -10.398 79 HG13 VAL 8 3HG1 VAL 8 7.255 5.085 -9.694 80 HG21 VAL 8 3HG2 VAL 8 4.770 3.695 -8.270 81 HG22 VAL 8 1HG2 VAL 8 5.813 2.629 -7.327 82 HG23 VAL 8 2HG2 VAL 8 6.249 4.324 -7.542 83 H ALA 9 H ALA 9 6.187 0.755 -11.438 84 HA ALA 9 HA ALA 9 8.384 1.250 -13.032 85 HB1 ALA 9 3HB ALA 9 7.524 -0.785 -14.362 86 HB2 ALA 9 1HB ALA 9 7.914 -0.994 -12.655 87 HB3 ALA 9 2HB ALA 9 6.233 -0.830 -13.162 88 H GLY 10 H GLY 10 4.959 1.217 -14.027 89 HA2 GLY 10 2HA GLY 10 5.523 2.001 -16.712 90 HA3 GLY 10 3HA GLY 10 3.944 1.990 -15.944 91 H TYR 11 H TYR 11 4.914 3.743 -13.753 92 HA TYR 11 HA TYR 11 4.266 6.233 -14.983 93 HB2 TYR 11 2HB TYR 11 3.756 5.468 -12.581 94 HB3 TYR 11 3HB TYR 11 5.415 5.928 -12.216 95 HD1 TYR 11 HD1 TYR 11 6.081 8.365 -12.968 96 HD2 TYR 11 HD2 TYR 11 2.085 7.048 -12.333 97 HE1 TYR 11 HE1 TYR 11 5.369 10.698 -12.648 98 HE2 TYR 11 HE2 TYR 11 1.362 9.377 -12.014 99 HH TYR 11 HH TYR 11 2.594 11.596 -11.237 100 H ASP 12 H ASP 12 7.230 4.683 -13.946 101 HA ASP 12 HA ASP 12 8.917 6.941 -14.037 102 HB2 ASP 12 2HB ASP 12 9.380 4.605 -13.049 103 HB3 ASP 12 3HB ASP 12 9.828 4.147 -14.689 104 H ILE 13 H ILE 13 7.661 4.834 -16.506 105 HA ILE 13 HA ILE 13 9.476 5.883 -18.526 106 HB ILE 13 HB ILE 13 7.194 3.922 -18.800 107 HG12 ILE 13 2HG1 ILE 13 9.847 2.874 -19.268 108 HG13 ILE 13 3HG1 ILE 13 9.741 3.587 -17.663 109 HG21 ILE 13 1HG2 ILE 13 8.190 3.413 -20.992 110 HG22 ILE 13 2HG2 ILE 13 7.619 5.078 -20.886 111 HG23 ILE 13 3HG2 ILE 13 9.343 4.726 -20.756 112 HD11 ILE 13 3HD1 ILE 13 8.576 1.132 -18.707 113 HD12 ILE 13 1HD1 ILE 13 8.941 1.605 -17.048 114 HD13 ILE 13 2HD1 ILE 13 7.436 2.131 -17.804 115 H ALA 14 H ALA 14 6.005 5.901 -17.787 116 HA ALA 14 HA ALA 14 5.202 7.455 -19.994 117 HB1 ALA 14 3HB ALA 14 3.945 7.018 -17.294 118 HB2 ALA 14 1HB ALA 14 3.172 7.934 -18.588 119 HB3 ALA 14 2HB ALA 14 3.546 6.225 -18.819 120 H SER 15 H SER 15 6.329 8.318 -16.770 121 HA SER 15 HA SER 15 5.725 11.093 -16.991 122 HB2 SER 15 2HB SER 15 7.011 11.354 -14.957 123 HB3 SER 15 3HB SER 15 6.037 9.891 -14.821 124 HG SER 15 HG SER 15 8.281 9.675 -14.167 125 H HIS 16 H HIS 16 8.395 9.090 -17.953 126 HA HIS 16 HA HIS 16 10.174 11.330 -18.410 127 HB2 HIS 16 2HB HIS 16 10.981 9.068 -17.675 128 HB3 HIS 16 3HB HIS 16 10.531 8.451 -19.262 129 HD1 HIS 16 HD1 HIS 16 12.347 8.473 -20.936 130 HD2 HIS 16 HD2 HIS 16 12.972 11.285 -17.941 131 HE1 HIS 16 HE1 HIS 16 14.594 9.492 -21.427 132 H LYS 17 H LYS 17 7.962 9.338 -20.219 133 HA LYS 17 HA LYS 17 8.913 10.176 -22.800 134 HB2 LYS 17 2HB LYS 17 7.516 8.033 -22.030 135 HB3 LYS 17 3HB LYS 17 6.168 9.076 -22.461 136 HG2 LYS 17 2HG LYS 17 6.540 8.848 -24.650 137 HG3 LYS 17 3HG LYS 17 8.288 9.018 -24.466 138 HD2 LYS 17 2HD LYS 17 7.329 6.521 -23.353 139 HD3 LYS 17 3HD LYS 17 6.890 6.688 -25.055 140 HE2 LYS 17 2HE LYS 17 9.055 5.590 -24.809 141 HE3 LYS 17 3HE LYS 17 9.222 7.148 -25.616 142 HZ1 LYS 17 3HZ LYS 17 9.873 8.101 -23.452 143 HZ2 LYS 17 1HZ LYS 17 10.947 6.912 -23.995 144 HZ3 LYS 17 2HZ LYS 17 9.834 6.551 -22.774 145 H LYS 18 H LYS 18 5.882 10.754 -21.007 146 HA LYS 18 HA LYS 18 5.187 12.948 -22.752 147 HB2 LYS 18 2HB LYS 18 3.884 11.637 -20.385 148 HB3 LYS 18 3HB LYS 18 3.284 13.172 -20.998 149 HG2 LYS 18 2HG LYS 18 2.955 12.134 -23.205 150 HG3 LYS 18 3HG LYS 18 3.489 10.590 -22.536 151 HD2 LYS 18 2HD LYS 18 1.443 11.720 -20.871 152 HD3 LYS 18 3HD LYS 18 0.888 11.664 -22.546 153 HE2 LYS 18 2HE LYS 18 1.298 9.318 -22.680 154 HE3 LYS 18 3HE LYS 18 2.140 9.317 -21.132 155 HZ1 LYS 18 3HZ LYS 18 -0.754 9.639 -21.642 156 HZ2 LYS 18 1HZ LYS 18 -0.057 10.104 -20.172 157 HZ3 LYS 18 2HZ LYS 18 0.022 8.491 -20.673 158 H LYS 19 H LYS 19 5.875 12.598 -19.272 159 HA LYS 19 HA LYS 19 6.556 14.097 -17.698 160 HB2 LYS 19 2HB LYS 19 8.526 13.997 -19.321 161 HB3 LYS 19 3HB LYS 19 7.947 15.532 -19.955 162 HG2 LYS 19 2HG LYS 19 8.164 15.580 -17.070 163 HG3 LYS 19 3HG LYS 19 9.695 15.162 -17.843 164 HD2 LYS 19 2HD LYS 19 8.961 17.196 -19.420 165 HD3 LYS 19 3HD LYS 19 8.139 17.681 -17.935 166 HE2 LYS 19 2HE LYS 19 10.266 18.694 -17.849 167 HE3 LYS 19 3HE LYS 19 10.352 17.313 -16.757 168 HZ1 LYS 19 3HZ LYS 19 11.669 16.131 -18.222 169 HZ2 LYS 19 1HZ LYS 19 12.262 17.705 -18.402 170 HZ3 LYS 19 2HZ LYS 19 11.217 17.057 -19.563 171 H THR 20 H THR 20 4.465 14.946 -17.318 172 HA THR 20 HA THR 20 4.280 17.765 -17.676 173 HB THR 20 HB THR 20 3.472 17.270 -19.874 174 HG1 THR 20 HG1 THR 20 2.168 18.839 -19.184 175 HG21 THR 20 1HG2 THR 20 1.668 15.739 -20.338 176 HG22 THR 20 2HG2 THR 20 1.445 15.418 -18.618 177 HG23 THR 20 3HG2 THR 20 2.915 14.885 -19.431 178 H GLY 21 H GLY 21 2.648 18.714 -16.399 179 HA2 GLY 21 2HA GLY 21 0.532 17.423 -15.150 180 HA3 GLY 21 3HA GLY 21 1.926 17.212 -14.099 181 H GLY 22 H GLY 22 -0.509 19.365 -15.208 182 HA2 GLY 22 2HA GLY 22 -1.184 21.144 -13.703 183 HA3 GLY 22 3HA GLY 22 0.515 21.406 -13.339 184 H TYR 23 H TYR 23 -2.095 22.109 -15.480 185 HA TYR 23 HA TYR 23 -0.593 23.292 -17.577 186 HB2 TYR 23 2HB TYR 23 -3.460 23.312 -16.739 187 HB3 TYR 23 3HB TYR 23 -2.916 24.518 -17.900 188 HD1 TYR 23 HD1 TYR 23 -1.112 23.183 -19.648 189 HD2 TYR 23 HD2 TYR 23 -4.627 21.639 -17.812 190 HE1 TYR 23 HE1 TYR 23 -1.331 21.539 -21.463 191 HE2 TYR 23 HE2 TYR 23 -4.854 19.989 -19.622 192 HH TYR 23 HH TYR 23 -2.937 18.884 -21.356 193 HA PRO 24 HA PRO 24 0.430 27.272 -16.043 194 HB2 PRO 24 2HB PRO 24 -0.020 28.860 -18.199 195 HB3 PRO 24 3HB PRO 24 1.335 27.728 -18.106 196 HG2 PRO 24 2HG PRO 24 -1.305 27.412 -19.480 197 HG3 PRO 24 3HG PRO 24 0.315 26.978 -20.055 198 HD2 PRO 24 2HD PRO 24 -1.405 25.153 -19.033 199 HD3 PRO 24 3HD PRO 24 0.355 25.014 -18.848 200 H TRP 25 H TRP 25 -2.726 26.895 -17.529 201 HA TRP 25 HA TRP 25 -3.705 29.293 -16.159 202 HB2 TRP 25 2HB TRP 25 -5.799 28.839 -17.520 203 HB3 TRP 25 3HB TRP 25 -4.360 29.263 -18.443 204 HD1 TRP 25 HD1 TRP 25 -3.610 27.602 -20.279 205 HE1 TRP 25 HE1 TRP 25 -4.400 25.278 -21.054 206 HE3 TRP 25 HE3 TRP 25 -6.869 26.546 -16.484 207 HZ2 TRP 25 HZ2 TRP 25 -6.173 23.264 -20.173 208 HZ3 TRP 25 HZ3 TRP 25 -8.073 24.401 -16.526 209 HH2 TRP 25 HH2 TRP 25 -7.731 22.796 -18.334 210 H GLU 26 H GLU 26 -3.671 25.889 -15.916 211 HA GLU 26 HA GLU 26 -6.029 25.820 -14.190 212 HB2 GLU 26 2HB GLU 26 -5.200 24.043 -16.031 213 HB3 GLU 26 3HB GLU 26 -4.400 23.380 -14.614 214 HG2 GLU 26 2HG GLU 26 -7.215 24.079 -14.211 215 HG3 GLU 26 3HG GLU 26 -6.929 22.794 -15.384 216 H ARG 27 H ARG 27 -3.959 27.323 -13.150 217 HA ARG 27 HA ARG 27 -2.715 25.591 -11.130 218 HB2 ARG 27 2HB ARG 27 -1.420 27.315 -12.620 219 HB3 ARG 27 3HB ARG 27 -2.040 28.489 -11.467 220 HG2 ARG 27 2HG ARG 27 -0.486 27.950 -9.985 221 HG3 ARG 27 3HG ARG 27 -0.900 26.238 -10.092 222 HD2 ARG 27 2HD ARG 27 0.562 25.925 -11.951 223 HD3 ARG 27 3HD ARG 27 0.825 27.661 -12.107 224 HE ARG 27 HE ARG 27 2.437 27.510 -10.501 225 HH11 ARG 27 1HH1 ARG 27 0.389 24.703 -10.296 226 HH12 ARG 27 2HH1 ARG 27 1.364 23.917 -9.098 227 HH21 ARG 27 1HH2 ARG 27 3.729 26.486 -8.925 228 HH22 ARG 27 2HH2 ARG 27 3.264 24.933 -8.319 229 H GLY 28 H GLY 28 -5.500 26.252 -10.981 230 HA2 GLY 28 2HA GLY 28 -5.467 27.795 -8.465 231 HA3 GLY 28 3HA GLY 28 -6.706 28.074 -9.681 232 H LYS 29 H LYS 29 -5.418 24.911 -8.877 233 HA LYS 29 HA LYS 29 -7.903 24.267 -7.448 234 HB2 LYS 29 2HB LYS 29 -6.744 22.872 -9.841 235 HB3 LYS 29 3HB LYS 29 -7.719 21.984 -8.678 236 HG2 LYS 29 2HG LYS 29 -9.493 23.771 -9.046 237 HG3 LYS 29 3HG LYS 29 -8.539 24.261 -10.447 238 HD2 LYS 29 2HD LYS 29 -9.850 22.759 -11.512 239 HD3 LYS 29 3HD LYS 29 -8.671 21.608 -10.880 240 HE2 LYS 29 2HE LYS 29 -10.770 20.701 -10.336 241 HE3 LYS 29 3HE LYS 29 -10.178 21.423 -8.840 242 HZ1 LYS 29 3HZ LYS 29 -11.686 23.138 -8.968 243 HZ2 LYS 29 1HZ LYS 29 -12.595 21.855 -9.594 244 HZ3 LYS 29 2HZ LYS 29 -11.902 22.990 -10.639 245 H ALA 30 H ALA 30 -5.333 24.829 -6.371 246 HA ALA 30 HA ALA 30 -3.816 22.525 -5.822 247 HB1 ALA 30 3HB ALA 30 -3.829 24.492 -3.672 248 HB2 ALA 30 1HB ALA 30 -2.502 23.932 -4.691 249 HB3 ALA 30 2HB ALA 30 -3.581 25.203 -5.267 Start of MODEL 10 1 H1 MET 1 H MET 1 2.154 1.170 -0.643 2 HA MET 1 HA MET 1 0.702 -0.850 -1.121 3 HB2 MET 1 2HB MET 1 0.920 0.496 -3.727 4 HB3 MET 1 3HB MET 1 1.164 -1.245 -3.786 5 HG2 MET 1 2HG MET 1 -1.032 -1.194 -2.283 6 HG3 MET 1 3HG MET 1 -1.267 0.314 -3.164 7 HE1 MET 1 3HE MET 1 -2.878 -2.178 -2.848 8 HE2 MET 1 1HE MET 1 -3.739 -1.849 -4.351 9 HE3 MET 1 2HE MET 1 -2.879 -3.374 -4.144 10 H LYS 2 H LYS 2 1.782 -2.763 -1.045 11 HA LYS 2 HA LYS 2 4.606 -2.709 -0.841 12 HB2 LYS 2 2HB LYS 2 2.498 -4.815 -0.690 13 HB3 LYS 2 3HB LYS 2 4.168 -5.327 -0.903 14 HG2 LYS 2 2HG LYS 2 3.308 -3.468 1.295 15 HG3 LYS 2 3HG LYS 2 3.318 -5.224 1.469 16 HD2 LYS 2 2HD LYS 2 5.756 -5.115 0.726 17 HD3 LYS 2 3HD LYS 2 5.644 -3.376 1.005 18 HE2 LYS 2 2HE LYS 2 5.734 -3.620 3.228 19 HE3 LYS 2 3HE LYS 2 4.601 -4.970 3.214 20 HZ1 LYS 2 3HZ LYS 2 6.775 -5.641 4.026 21 HZ2 LYS 2 1HZ LYS 2 7.497 -5.143 2.579 22 HZ3 LYS 2 2HZ LYS 2 6.409 -6.438 2.580 23 H THR 3 H THR 3 2.391 -3.958 -3.304 24 HA THR 3 HA THR 3 4.663 -4.640 -5.019 25 HB THR 3 HB THR 3 2.832 -6.301 -4.750 26 HG1 THR 3 HG1 THR 3 3.345 -6.895 -6.712 27 HG21 THR 3 1HG2 THR 3 1.188 -4.055 -5.188 28 HG22 THR 3 2HG2 THR 3 0.688 -5.728 -4.938 29 HG23 THR 3 3HG2 THR 3 0.960 -5.122 -6.572 30 H ILE 4 H ILE 4 4.058 -1.875 -4.500 31 HA ILE 4 HA ILE 4 2.620 -0.736 -6.671 32 HB ILE 4 HB ILE 4 3.093 0.413 -4.485 33 HG12 ILE 4 2HG1 ILE 4 3.972 1.951 -6.937 34 HG13 ILE 4 3HG1 ILE 4 2.295 1.583 -6.547 35 HG21 ILE 4 1HG2 ILE 4 5.189 1.442 -4.078 36 HG22 ILE 4 2HG2 ILE 4 5.525 -0.240 -4.485 37 HG23 ILE 4 3HG2 ILE 4 5.782 1.026 -5.685 38 HD11 ILE 4 3HD1 ILE 4 3.821 3.789 -5.732 39 HD12 ILE 4 1HD1 ILE 4 2.176 3.369 -5.256 40 HD13 ILE 4 2HD1 ILE 4 3.542 2.808 -4.292 41 H LEU 5 H LEU 5 5.640 -2.206 -6.501 42 HA LEU 5 HA LEU 5 7.286 -0.728 -8.149 43 HB2 LEU 5 2HB LEU 5 8.531 -2.671 -8.497 44 HB3 LEU 5 3HB LEU 5 7.774 -2.899 -6.921 45 HG LEU 5 HG LEU 5 5.967 -4.163 -8.416 46 HD11 LEU 5 1HD1 LEU 5 8.132 -5.329 -9.896 47 HD12 LEU 5 2HD1 LEU 5 7.980 -3.616 -10.283 48 HD13 LEU 5 3HD1 LEU 5 6.594 -4.690 -10.476 49 HD21 LEU 5 3HD2 LEU 5 8.562 -5.160 -7.288 50 HD22 LEU 5 1HD2 LEU 5 7.381 -6.256 -8.002 51 HD23 LEU 5 2HD2 LEU 5 6.939 -5.275 -6.605 52 H ARG 6 H ARG 6 4.593 -2.813 -9.007 53 HA ARG 6 HA ARG 6 5.098 -2.783 -11.816 54 HB2 ARG 6 2HB ARG 6 2.986 -3.875 -12.049 55 HB3 ARG 6 3HB ARG 6 3.754 -4.525 -10.606 56 HG2 ARG 6 2HG ARG 6 1.704 -4.188 -9.736 57 HG3 ARG 6 3HG ARG 6 2.334 -2.559 -9.484 58 HD2 ARG 6 2HD ARG 6 0.421 -1.983 -10.546 59 HD3 ARG 6 3HD ARG 6 1.408 -2.280 -11.977 60 HE ARG 6 HE ARG 6 0.055 -4.048 -12.473 61 HH11 ARG 6 1HH1 ARG 6 -0.311 -3.281 -9.097 62 HH12 ARG 6 2HH1 ARG 6 -1.592 -4.418 -8.844 63 HH21 ARG 6 1HH2 ARG 6 -1.631 -5.550 -12.152 64 HH22 ARG 6 2HH2 ARG 6 -2.343 -5.709 -10.582 65 H PHE 7 H PHE 7 3.288 -0.771 -9.599 66 HA PHE 7 HA PHE 7 1.884 0.672 -11.639 67 HB2 PHE 7 2HB PHE 7 0.877 0.561 -9.465 68 HB3 PHE 7 3HB PHE 7 2.326 1.204 -8.699 69 HD1 PHE 7 HD2 PHE 7 0.054 2.219 -11.487 70 HD2 PHE 7 HD1 PHE 7 2.126 3.351 -7.945 71 HE1 PHE 7 HE2 PHE 7 -0.857 4.495 -11.687 72 HE2 PHE 7 HE1 PHE 7 1.216 5.629 -8.138 73 HZ PHE 7 HZ PHE 7 -0.276 6.204 -10.012 74 H VAL 8 H VAL 8 4.597 1.473 -9.473 75 HA VAL 8 HA VAL 8 5.127 4.004 -10.595 76 HB VAL 8 HB VAL 8 7.008 2.145 -9.131 77 HG11 VAL 8 1HG1 VAL 8 8.226 3.829 -10.400 78 HG12 VAL 8 2HG1 VAL 8 7.233 5.103 -9.687 79 HG13 VAL 8 3HG1 VAL 8 8.325 4.159 -8.671 80 HG21 VAL 8 3HG2 VAL 8 6.239 4.329 -7.536 81 HG22 VAL 8 1HG2 VAL 8 4.761 3.694 -8.261 82 HG23 VAL 8 2HG2 VAL 8 5.812 2.632 -7.322 83 H ALA 9 H ALA 9 6.180 0.771 -11.439 84 HA ALA 9 HA ALA 9 8.367 1.280 -13.041 85 HB1 ALA 9 3HB ALA 9 7.623 -0.767 -14.332 86 HB2 ALA 9 1HB ALA 9 7.821 -0.968 -12.591 87 HB3 ALA 9 2HB ALA 9 6.207 -0.797 -13.281 88 H GLY 10 H GLY 10 4.938 1.241 -14.015 89 HA2 GLY 10 2HA GLY 10 5.483 2.024 -16.705 90 HA3 GLY 10 3HA GLY 10 3.908 2.013 -15.926 91 H TYR 11 H TYR 11 4.893 3.767 -13.743 92 HA TYR 11 HA TYR 11 4.242 6.257 -14.976 93 HB2 TYR 11 2HB TYR 11 3.726 5.492 -12.574 94 HB3 TYR 11 3HB TYR 11 5.384 5.953 -12.205 95 HD1 TYR 11 HD1 TYR 11 6.048 8.391 -12.967 96 HD2 TYR 11 HD2 TYR 11 2.055 7.070 -12.319 97 HE1 TYR 11 HE1 TYR 11 5.334 10.723 -12.652 98 HE2 TYR 11 HE2 TYR 11 1.330 9.399 -12.003 99 HH TYR 11 HH TYR 11 3.654 12.081 -12.134 100 H ASP 12 H ASP 12 7.202 4.707 -13.925 101 HA ASP 12 HA ASP 12 8.889 6.965 -14.018 102 HB2 ASP 12 2HB ASP 12 9.327 4.600 -13.042 103 HB3 ASP 12 3HB ASP 12 9.838 4.191 -14.678 104 H ILE 13 H ILE 13 7.671 4.821 -16.482 105 HA ILE 13 HA ILE 13 9.483 5.871 -18.499 106 HB ILE 13 HB ILE 13 7.203 3.909 -18.776 107 HG12 ILE 13 2HG1 ILE 13 9.876 2.878 -19.214 108 HG13 ILE 13 3HG1 ILE 13 9.724 3.570 -17.604 109 HG21 ILE 13 1HG2 ILE 13 8.257 3.380 -20.955 110 HG22 ILE 13 2HG2 ILE 13 7.612 5.019 -20.871 111 HG23 ILE 13 3HG2 ILE 13 9.348 4.747 -20.721 112 HD11 ILE 13 3HD1 ILE 13 8.636 1.109 -18.691 113 HD12 ILE 13 1HD1 ILE 13 8.902 1.593 -17.016 114 HD13 ILE 13 2HD1 ILE 13 7.430 2.087 -17.853 115 H ALA 14 H ALA 14 6.006 5.884 -17.788 116 HA ALA 14 HA ALA 14 5.210 7.424 -20.003 117 HB1 ALA 14 3HB ALA 14 3.118 7.626 -18.953 118 HB2 ALA 14 1HB ALA 14 3.750 6.066 -18.424 119 HB3 ALA 14 2HB ALA 14 3.816 7.458 -17.342 120 H SER 15 H SER 15 6.330 8.320 -16.784 121 HA SER 15 HA SER 15 5.740 11.097 -17.050 122 HB2 SER 15 2HB SER 15 6.936 11.382 -14.989 123 HB3 SER 15 3HB SER 15 6.042 9.868 -14.866 124 HG SER 15 HG SER 15 7.917 9.050 -14.396 125 H HIS 16 H HIS 16 8.406 9.062 -17.952 126 HA HIS 16 HA HIS 16 10.223 11.268 -18.394 127 HB2 HIS 16 2HB HIS 16 10.401 8.379 -18.280 128 HB3 HIS 16 3HB HIS 16 11.232 9.005 -19.701 129 HD1 HIS 16 HD1 HIS 16 13.634 9.019 -19.104 130 HD2 HIS 16 HD2 HIS 16 11.264 10.480 -16.021 131 HE1 HIS 16 HE1 HIS 16 15.240 9.800 -17.334 132 H LYS 17 H LYS 17 8.017 9.301 -20.250 133 HA LYS 17 HA LYS 17 8.992 10.156 -22.811 134 HB2 LYS 17 2HB LYS 17 6.635 8.577 -21.851 135 HB3 LYS 17 3HB LYS 17 6.654 9.186 -23.501 136 HG2 LYS 17 2HG LYS 17 8.837 8.030 -23.827 137 HG3 LYS 17 3HG LYS 17 8.631 7.306 -22.231 138 HD2 LYS 17 2HD LYS 17 6.924 5.942 -22.921 139 HD3 LYS 17 3HD LYS 17 6.407 7.052 -24.192 140 HE2 LYS 17 2HE LYS 17 8.543 6.471 -25.401 141 HE3 LYS 17 3HE LYS 17 8.778 5.196 -24.207 142 HZ1 LYS 17 3HZ LYS 17 7.126 3.948 -25.078 143 HZ2 LYS 17 1HZ LYS 17 7.517 4.799 -26.487 144 HZ3 LYS 17 2HZ LYS 17 6.194 5.278 -25.550 145 H LYS 18 H LYS 18 5.985 10.798 -21.001 146 HA LYS 18 HA LYS 18 5.324 13.004 -22.750 147 HB2 LYS 18 2HB LYS 18 3.979 11.461 -20.639 148 HB3 LYS 18 3HB LYS 18 3.563 13.170 -20.659 149 HG2 LYS 18 2HG LYS 18 3.410 12.454 -23.314 150 HG3 LYS 18 3HG LYS 18 2.781 11.038 -22.467 151 HD2 LYS 18 2HD LYS 18 1.438 12.846 -21.113 152 HD3 LYS 18 3HD LYS 18 1.734 13.830 -22.548 153 HE2 LYS 18 2HE LYS 18 -0.358 12.768 -22.876 154 HE3 LYS 18 3HE LYS 18 0.799 11.928 -23.908 155 HZ1 LYS 18 3HZ LYS 18 0.069 10.959 -21.205 156 HZ2 LYS 18 1HZ LYS 18 0.885 10.119 -22.425 157 HZ3 LYS 18 2HZ LYS 18 -0.757 10.480 -22.600 158 H LYS 19 H LYS 19 5.899 12.673 -19.243 159 HA LYS 19 HA LYS 19 6.617 14.159 -17.675 160 HB2 LYS 19 2HB LYS 19 8.631 13.953 -19.223 161 HB3 LYS 19 3HB LYS 19 8.129 15.489 -19.919 162 HG2 LYS 19 2HG LYS 19 8.141 16.035 -17.236 163 HG3 LYS 19 3HG LYS 19 9.502 14.925 -17.412 164 HD2 LYS 19 2HD LYS 19 10.135 16.430 -19.432 165 HD3 LYS 19 3HD LYS 19 9.071 17.611 -18.663 166 HE2 LYS 19 2HE LYS 19 10.853 18.212 -17.459 167 HE3 LYS 19 3HE LYS 19 10.621 16.706 -16.574 168 HZ1 LYS 19 3HZ LYS 19 12.435 15.808 -17.484 169 HZ2 LYS 19 1HZ LYS 19 12.868 17.393 -17.890 170 HZ3 LYS 19 2HZ LYS 19 12.098 16.408 -19.030 171 H THR 20 H THR 20 4.561 15.103 -17.356 172 HA THR 20 HA THR 20 4.500 17.927 -17.906 173 HB THR 20 HB THR 20 3.488 17.286 -19.963 174 HG1 THR 20 HG1 THR 20 1.181 17.927 -19.449 175 HG21 THR 20 1HG2 THR 20 1.729 15.460 -18.323 176 HG22 THR 20 2HG2 THR 20 2.958 14.976 -19.491 177 HG23 THR 20 3HG2 THR 20 1.498 15.800 -20.037 178 H GLY 21 H GLY 21 2.922 19.054 -16.661 179 HA2 GLY 21 2HA GLY 21 2.360 17.791 -14.155 180 HA3 GLY 21 3HA GLY 21 1.904 19.422 -14.624 181 H GLY 22 H GLY 22 -0.147 19.830 -15.318 182 HA2 GLY 22 2HA GLY 22 -2.065 18.564 -16.536 183 HA3 GLY 22 3HA GLY 22 -2.023 17.582 -15.079 184 H TYR 23 H TYR 23 -3.282 20.356 -16.541 185 HA TYR 23 HA TYR 23 -3.749 22.062 -14.390 186 HB2 TYR 23 2HB TYR 23 -5.098 21.587 -17.012 187 HB3 TYR 23 3HB TYR 23 -5.907 22.602 -15.823 188 HD1 TYR 23 HD1 TYR 23 -3.877 24.184 -14.614 189 HD2 TYR 23 HD2 TYR 23 -4.146 22.888 -18.657 190 HE1 TYR 23 HE1 TYR 23 -2.506 26.103 -15.313 191 HE2 TYR 23 HE2 TYR 23 -2.774 24.802 -19.368 192 HH TYR 23 HH TYR 23 -1.085 26.780 -17.144 193 HA PRO 24 HA PRO 24 -6.817 20.193 -11.872 194 HB2 PRO 24 2HB PRO 24 -8.415 22.296 -11.246 195 HB3 PRO 24 3HB PRO 24 -6.787 22.098 -10.589 196 HG2 PRO 24 2HG PRO 24 -7.716 23.805 -12.866 197 HG3 PRO 24 3HG PRO 24 -6.578 24.199 -11.565 198 HD2 PRO 24 2HD PRO 24 -5.764 23.501 -14.051 199 HD3 PRO 24 3HD PRO 24 -4.828 23.108 -12.594 200 H TRP 25 H TRP 25 -7.929 22.078 -14.615 201 HA TRP 25 HA TRP 25 -10.519 20.707 -14.560 202 HB2 TRP 25 2HB TRP 25 -11.074 22.340 -16.422 203 HB3 TRP 25 3HB TRP 25 -10.778 23.052 -14.839 204 HD1 TRP 25 HD1 TRP 25 -8.945 24.872 -14.693 205 HE1 TRP 25 HE1 TRP 25 -7.244 25.868 -16.350 206 HE3 TRP 25 HE3 TRP 25 -9.544 21.574 -18.555 207 HZ2 TRP 25 HZ2 TRP 25 -6.284 25.327 -18.949 208 HZ3 TRP 25 HZ3 TRP 25 -8.198 21.885 -20.590 209 HH2 TRP 25 HH2 TRP 25 -6.602 23.723 -20.782 210 H GLU 26 H GLU 26 -7.487 20.652 -16.125 211 HA GLU 26 HA GLU 26 -8.529 19.239 -18.461 212 HB2 GLU 26 2HB GLU 26 -6.556 21.060 -18.300 213 HB3 GLU 26 3HB GLU 26 -5.608 19.594 -18.093 214 HG2 GLU 26 2HG GLU 26 -7.546 19.568 -20.310 215 HG3 GLU 26 3HG GLU 26 -6.190 20.683 -20.476 216 H ARG 27 H ARG 27 -8.969 17.821 -16.181 217 HA ARG 27 HA ARG 27 -6.944 15.684 -16.316 218 HB2 ARG 27 2HB ARG 27 -7.630 17.120 -14.081 219 HB3 ARG 27 3HB ARG 27 -8.669 15.708 -13.942 220 HG2 ARG 27 2HG ARG 27 -6.715 14.251 -14.111 221 HG3 ARG 27 3HG ARG 27 -5.674 15.671 -14.244 222 HD2 ARG 27 2HD ARG 27 -5.613 14.899 -11.977 223 HD3 ARG 27 3HD ARG 27 -6.513 16.415 -12.024 224 HE ARG 27 HE ARG 27 -8.307 14.262 -12.251 225 HH11 ARG 27 1HH1 ARG 27 -6.205 15.782 -9.928 226 HH12 ARG 27 2HH1 ARG 27 -7.157 15.305 -8.561 227 HH21 ARG 27 1HH2 ARG 27 -9.568 13.628 -10.459 228 HH22 ARG 27 2HH2 ARG 27 -9.069 14.079 -8.864 229 H GLY 28 H GLY 28 -9.295 16.038 -18.008 230 HA2 GLY 28 2HA GLY 28 -10.203 13.485 -18.295 231 HA3 GLY 28 3HA GLY 28 -11.297 14.177 -17.107 232 H LYS 29 H LYS 29 -9.788 15.657 -19.960 233 HA LYS 29 HA LYS 29 -12.485 16.053 -21.075 234 HB2 LYS 29 2HB LYS 29 -10.662 18.041 -20.189 235 HB3 LYS 29 3HB LYS 29 -10.719 18.132 -21.944 236 HG2 LYS 29 2HG LYS 29 -13.108 18.427 -21.899 237 HG3 LYS 29 3HG LYS 29 -13.138 18.185 -20.151 238 HD2 LYS 29 2HD LYS 29 -11.264 20.254 -20.833 239 HD3 LYS 29 3HD LYS 29 -12.840 20.604 -21.545 240 HE2 LYS 29 2HE LYS 29 -13.639 19.869 -19.108 241 HE3 LYS 29 3HE LYS 29 -12.023 20.446 -18.700 242 HZ1 LYS 29 3HZ LYS 29 -13.862 22.134 -18.590 243 HZ2 LYS 29 1HZ LYS 29 -13.942 22.059 -20.278 244 HZ3 LYS 29 2HZ LYS 29 -12.521 22.578 -19.522 245 H ALA 30 H ALA 30 -12.733 15.283 -23.064 246 HA ALA 30 HA ALA 30 -12.267 14.297 -25.066 247 HB1 ALA 30 3HB ALA 30 -9.879 15.772 -25.726 248 HB2 ALA 30 1HB ALA 30 -11.482 15.841 -26.456 249 HB3 ALA 30 2HB ALA 30 -11.112 16.830 -25.043 Start of MODEL 11 1 H1 MET 1 H MET 1 1.426 -0.546 0.754 2 HA MET 1 HA MET 1 0.912 -0.633 -1.950 3 HB2 MET 1 2HB MET 1 2.315 1.871 -1.093 4 HB3 MET 1 3HB MET 1 2.712 1.140 -2.642 5 HG2 MET 1 2HG MET 1 0.907 2.003 -3.582 6 HG3 MET 1 3HG MET 1 -0.133 1.313 -2.339 7 HE1 MET 1 3HE MET 1 -0.850 3.701 -3.841 8 HE2 MET 1 1HE MET 1 -1.865 3.710 -2.398 9 HE3 MET 1 2HE MET 1 -0.992 5.167 -2.870 10 H LYS 2 H LYS 2 1.833 -2.665 -1.466 11 HA LYS 2 HA LYS 2 4.692 -2.723 -0.852 12 HB2 LYS 2 2HB LYS 2 2.481 -4.421 -0.254 13 HB3 LYS 2 3HB LYS 2 3.627 -5.341 -1.222 14 HG2 LYS 2 2HG LYS 2 5.056 -5.525 0.471 15 HG3 LYS 2 3HG LYS 2 4.935 -3.809 0.865 16 HD2 LYS 2 2HD LYS 2 2.524 -5.278 1.557 17 HD3 LYS 2 3HD LYS 2 3.955 -5.914 2.371 18 HE2 LYS 2 2HE LYS 2 3.039 -4.241 3.786 19 HE3 LYS 2 3HE LYS 2 4.489 -3.556 3.055 20 HZ1 LYS 2 3HZ LYS 2 1.710 -2.795 2.720 21 HZ2 LYS 2 1HZ LYS 2 2.636 -2.793 1.303 22 HZ3 LYS 2 2HZ LYS 2 3.112 -1.852 2.626 23 H THR 3 H THR 3 2.410 -3.958 -3.280 24 HA THR 3 HA THR 3 4.644 -4.652 -5.034 25 HB THR 3 HB THR 3 2.799 -6.287 -4.740 26 HG1 THR 3 HG1 THR 3 3.326 -6.868 -6.698 27 HG21 THR 3 1HG2 THR 3 0.658 -5.686 -4.886 28 HG22 THR 3 2HG2 THR 3 0.905 -5.073 -6.520 29 HG23 THR 3 3HG2 THR 3 1.175 -4.019 -5.132 30 H ILE 4 H ILE 4 4.046 -1.870 -4.497 31 HA ILE 4 HA ILE 4 2.617 -0.725 -6.668 32 HB ILE 4 HB ILE 4 3.097 0.420 -4.482 33 HG12 ILE 4 2HG1 ILE 4 3.980 1.955 -6.934 34 HG13 ILE 4 3HG1 ILE 4 2.303 1.595 -6.542 35 HG21 ILE 4 1HG2 ILE 4 5.788 1.021 -5.685 36 HG22 ILE 4 2HG2 ILE 4 5.198 1.441 -4.078 37 HG23 ILE 4 3HG2 ILE 4 5.527 -0.243 -4.484 38 HD11 ILE 4 3HD1 ILE 4 4.017 3.697 -5.569 39 HD12 ILE 4 1HD1 ILE 4 2.266 3.522 -5.452 40 HD13 ILE 4 2HD1 ILE 4 3.311 2.772 -4.245 41 H LEU 5 H LEU 5 5.631 -2.209 -6.501 42 HA LEU 5 HA LEU 5 7.280 -0.737 -8.151 43 HB2 LEU 5 2HB LEU 5 8.516 -2.687 -8.500 44 HB3 LEU 5 3HB LEU 5 7.760 -2.911 -6.924 45 HG LEU 5 HG LEU 5 5.945 -4.167 -8.416 46 HD11 LEU 5 1HD1 LEU 5 8.065 -3.683 -10.244 47 HD12 LEU 5 2HD1 LEU 5 6.566 -4.573 -10.503 48 HD13 LEU 5 3HD1 LEU 5 8.000 -5.414 -9.915 49 HD21 LEU 5 3HD2 LEU 5 8.567 -5.284 -7.437 50 HD22 LEU 5 1HD2 LEU 5 7.186 -6.267 -7.922 51 HD23 LEU 5 2HD2 LEU 5 7.050 -5.175 -6.544 52 H ARG 6 H ARG 6 4.577 -2.811 -9.006 53 HA ARG 6 HA ARG 6 5.079 -2.782 -11.815 54 HB2 ARG 6 2HB ARG 6 2.992 -3.893 -12.048 55 HB3 ARG 6 3HB ARG 6 3.717 -4.506 -10.568 56 HG2 ARG 6 2HG ARG 6 1.637 -4.142 -9.776 57 HG3 ARG 6 3HG ARG 6 2.276 -2.516 -9.530 58 HD2 ARG 6 2HD ARG 6 0.443 -1.898 -10.683 59 HD3 ARG 6 3HD ARG 6 1.424 -2.327 -12.084 60 HE ARG 6 HE ARG 6 0.105 -4.630 -11.228 61 HH11 ARG 6 1HH1 ARG 6 -0.659 -1.515 -12.581 62 HH12 ARG 6 2HH1 ARG 6 -2.092 -2.069 -13.381 63 HH21 ARG 6 1HH2 ARG 6 -1.779 -5.372 -12.276 64 HH22 ARG 6 2HH2 ARG 6 -2.728 -4.264 -13.207 65 H PHE 7 H PHE 7 3.279 -0.763 -9.596 66 HA PHE 7 HA PHE 7 1.880 0.685 -11.634 67 HB2 PHE 7 2HB PHE 7 0.875 0.579 -9.460 68 HB3 PHE 7 3HB PHE 7 2.328 1.217 -8.695 69 HD1 PHE 7 HD2 PHE 7 0.056 2.240 -11.479 70 HD2 PHE 7 HD1 PHE 7 2.139 3.364 -7.942 71 HE1 PHE 7 HE2 PHE 7 -0.847 4.519 -11.677 72 HE2 PHE 7 HE1 PHE 7 1.238 5.646 -8.133 73 HZ PHE 7 HZ PHE 7 -0.255 6.227 -10.003 74 H VAL 8 H VAL 8 4.600 1.474 -9.474 75 HA VAL 8 HA VAL 8 5.140 4.003 -10.594 76 HB VAL 8 HB VAL 8 7.014 2.136 -9.133 77 HG11 VAL 8 1HG1 VAL 8 7.251 5.091 -9.693 78 HG12 VAL 8 2HG1 VAL 8 8.340 4.146 -8.674 79 HG13 VAL 8 3HG1 VAL 8 8.238 3.814 -10.403 80 HG21 VAL 8 3HG2 VAL 8 5.821 2.628 -7.323 81 HG22 VAL 8 1HG2 VAL 8 6.256 4.325 -7.538 82 HG23 VAL 8 2HG2 VAL 8 4.774 3.696 -8.259 83 H ALA 9 H ALA 9 6.178 0.765 -11.440 84 HA ALA 9 HA ALA 9 8.364 1.264 -13.045 85 HB1 ALA 9 3HB ALA 9 7.601 -0.778 -14.339 86 HB2 ALA 9 1HB ALA 9 7.818 -0.982 -12.600 87 HB3 ALA 9 2HB ALA 9 6.196 -0.804 -13.273 88 H GLY 10 H GLY 10 4.934 1.240 -14.015 89 HA2 GLY 10 2HA GLY 10 5.481 2.021 -16.706 90 HA3 GLY 10 3HA GLY 10 3.907 2.017 -15.925 91 H TYR 11 H TYR 11 4.901 3.766 -13.743 92 HA TYR 11 HA TYR 11 4.260 6.259 -14.974 93 HB2 TYR 11 2HB TYR 11 3.738 5.500 -12.573 94 HB3 TYR 11 3HB TYR 11 5.401 5.944 -12.204 95 HD1 TYR 11 HD2 TYR 11 6.087 8.378 -12.965 96 HD2 TYR 11 HD1 TYR 11 2.082 7.093 -12.318 97 HE1 TYR 11 HE2 TYR 11 5.395 10.717 -12.646 98 HE2 TYR 11 HE1 TYR 11 1.379 9.429 -11.997 99 HH TYR 11 HH TYR 11 3.549 11.951 -11.504 100 H ASP 12 H ASP 12 7.214 4.699 -13.920 101 HA ASP 12 HA ASP 12 8.910 6.949 -14.017 102 HB2 ASP 12 2HB ASP 12 9.333 4.576 -13.044 103 HB3 ASP 12 3HB ASP 12 9.857 4.176 -14.677 104 H ILE 13 H ILE 13 7.679 4.812 -16.479 105 HA ILE 13 HA ILE 13 9.493 5.860 -18.497 106 HB ILE 13 HB ILE 13 7.223 3.888 -18.771 107 HG12 ILE 13 2HG1 ILE 13 9.900 2.866 -19.205 108 HG13 ILE 13 3HG1 ILE 13 9.742 3.561 -17.596 109 HG21 ILE 13 1HG2 ILE 13 7.686 5.061 -20.857 110 HG22 ILE 13 2HG2 ILE 13 9.394 4.649 -20.719 111 HG23 ILE 13 3HG2 ILE 13 8.198 3.376 -20.956 112 HD11 ILE 13 3HD1 ILE 13 8.970 1.547 -17.036 113 HD12 ILE 13 1HD1 ILE 13 7.467 2.084 -17.783 114 HD13 ILE 13 2HD1 ILE 13 8.612 1.112 -18.707 115 H ALA 14 H ALA 14 6.023 5.876 -17.766 116 HA ALA 14 HA ALA 14 5.214 7.400 -19.991 117 HB1 ALA 14 3HB ALA 14 3.124 7.548 -18.974 118 HB2 ALA 14 1HB ALA 14 3.788 6.041 -18.342 119 HB3 ALA 14 2HB ALA 14 3.804 7.498 -17.347 120 H SER 15 H SER 15 6.345 8.311 -16.780 121 HA SER 15 HA SER 15 5.742 11.084 -17.046 122 HB2 SER 15 2HB SER 15 6.998 11.378 -15.008 123 HB3 SER 15 3HB SER 15 6.062 9.891 -14.860 124 HG SER 15 HG SER 15 8.073 9.346 -14.210 125 H HIS 16 H HIS 16 8.420 9.063 -17.959 126 HA HIS 16 HA HIS 16 10.261 11.230 -18.383 127 HB2 HIS 16 2HB HIS 16 10.351 8.348 -18.419 128 HB3 HIS 16 3HB HIS 16 11.116 8.997 -19.867 129 HD1 HIS 16 HD1 HIS 16 11.939 8.033 -16.568 130 HD2 HIS 16 HD2 HIS 16 13.047 11.203 -19.015 131 HE1 HIS 16 HE1 HIS 16 14.089 8.910 -15.601 132 H LYS 17 H LYS 17 8.008 9.375 -20.331 133 HA LYS 17 HA LYS 17 8.914 10.469 -22.830 134 HB2 LYS 17 2HB LYS 17 7.125 8.403 -21.973 135 HB3 LYS 17 3HB LYS 17 6.275 9.465 -23.088 136 HG2 LYS 17 2HG LYS 17 7.188 8.242 -24.704 137 HG3 LYS 17 3HG LYS 17 8.694 9.085 -24.332 138 HD2 LYS 17 2HD LYS 17 9.546 7.311 -23.132 139 HD3 LYS 17 3HD LYS 17 7.948 6.664 -22.752 140 HE2 LYS 17 2HE LYS 17 8.218 5.217 -24.417 141 HE3 LYS 17 3HE LYS 17 8.141 6.576 -25.538 142 HZ1 LYS 17 3HZ LYS 17 10.704 6.628 -24.638 143 HZ2 LYS 17 1HZ LYS 17 10.191 5.980 -26.114 144 HZ3 LYS 17 2HZ LYS 17 10.388 4.971 -24.771 145 H LYS 18 H LYS 18 5.879 10.807 -20.983 146 HA LYS 18 HA LYS 18 5.022 13.056 -22.531 147 HB2 LYS 18 2HB LYS 18 4.001 11.605 -20.127 148 HB3 LYS 18 3HB LYS 18 3.363 13.205 -20.482 149 HG2 LYS 18 2HG LYS 18 2.650 12.456 -22.680 150 HG3 LYS 18 3HG LYS 18 3.333 10.858 -22.370 151 HD2 LYS 18 2HD LYS 18 1.769 10.483 -20.577 152 HD3 LYS 18 3HD LYS 18 1.155 12.133 -20.717 153 HE2 LYS 18 2HE LYS 18 0.187 11.685 -22.834 154 HE3 LYS 18 3HE LYS 18 1.037 10.147 -22.974 155 HZ1 LYS 18 3HZ LYS 18 -1.497 10.481 -22.056 156 HZ2 LYS 18 1HZ LYS 18 -0.605 10.306 -20.629 157 HZ3 LYS 18 2HZ LYS 18 -0.539 9.108 -21.821 158 H LYS 19 H LYS 19 5.937 12.721 -19.097 159 HA LYS 19 HA LYS 19 6.743 14.222 -17.588 160 HB2 LYS 19 2HB LYS 19 8.642 14.079 -19.240 161 HB3 LYS 19 3HB LYS 19 8.017 15.545 -19.985 162 HG2 LYS 19 2HG LYS 19 8.467 16.830 -18.051 163 HG3 LYS 19 3HG LYS 19 8.785 15.388 -17.083 164 HD2 LYS 19 2HD LYS 19 10.894 16.353 -17.619 165 HD3 LYS 19 3HD LYS 19 10.717 14.909 -18.621 166 HE2 LYS 19 2HE LYS 19 9.606 17.113 -20.029 167 HE3 LYS 19 3HE LYS 19 11.195 17.590 -19.434 168 HZ1 LYS 19 3HZ LYS 19 12.083 16.437 -21.083 169 HZ2 LYS 19 1HZ LYS 19 10.563 15.900 -21.593 170 HZ3 LYS 19 2HZ LYS 19 11.432 15.012 -20.446 171 H THR 20 H THR 20 4.656 15.078 -17.132 172 HA THR 20 HA THR 20 4.492 17.902 -17.475 173 HB THR 20 HB THR 20 3.581 17.466 -19.628 174 HG1 THR 20 HG1 THR 20 1.315 17.760 -17.930 175 HG21 THR 20 1HG2 THR 20 1.696 15.933 -19.997 176 HG22 THR 20 2HG2 THR 20 1.748 15.466 -18.297 177 HG23 THR 20 3HG2 THR 20 3.104 15.087 -19.358 178 H GLY 21 H GLY 21 2.714 18.853 -16.278 179 HA2 GLY 21 2HA GLY 21 0.794 17.411 -14.846 180 HA3 GLY 21 3HA GLY 21 2.225 17.534 -13.832 181 H GLY 22 H GLY 22 -0.344 19.313 -15.414 182 HA2 GLY 22 2HA GLY 22 -0.333 21.300 -13.359 183 HA3 GLY 22 3HA GLY 22 0.321 21.925 -14.866 184 H TYR 23 H TYR 23 -2.501 21.125 -13.118 185 HA TYR 23 HA TYR 23 -4.380 20.820 -15.161 186 HB2 TYR 23 2HB TYR 23 -4.504 21.708 -12.312 187 HB3 TYR 23 3HB TYR 23 -5.922 21.944 -13.328 188 HD1 TYR 23 HD1 TYR 23 -6.138 19.620 -14.949 189 HD2 TYR 23 HD2 TYR 23 -4.813 19.902 -10.916 190 HE1 TYR 23 HE1 TYR 23 -6.799 17.280 -14.575 191 HE2 TYR 23 HE2 TYR 23 -5.469 17.563 -10.531 192 HH TYR 23 HH TYR 23 -5.909 15.552 -11.730 193 HA PRO 24 HA PRO 24 -4.952 24.774 -16.972 194 HB2 PRO 24 2HB PRO 24 -7.647 24.882 -17.294 195 HB3 PRO 24 3HB PRO 24 -6.604 23.835 -18.265 196 HG2 PRO 24 2HG PRO 24 -8.272 23.155 -15.873 197 HG3 PRO 24 3HG PRO 24 -8.061 22.252 -17.385 198 HD2 PRO 24 2HD PRO 24 -6.753 21.600 -15.105 199 HD3 PRO 24 3HD PRO 24 -6.048 21.352 -16.716 200 H TRP 25 H TRP 25 -6.812 24.050 -14.087 201 HA TRP 25 HA TRP 25 -7.241 26.907 -13.595 202 HB2 TRP 25 2HB TRP 25 -8.666 26.045 -11.679 203 HB3 TRP 25 3HB TRP 25 -9.242 25.659 -13.298 204 HD1 TRP 25 HD1 TRP 25 -9.637 23.160 -13.840 205 HE1 TRP 25 HE1 TRP 25 -9.250 20.950 -12.582 206 HE3 TRP 25 HE3 TRP 25 -6.917 24.939 -9.894 207 HZ2 TRP 25 HZ2 TRP 25 -7.963 20.075 -10.226 208 HZ3 TRP 25 HZ3 TRP 25 -6.147 23.350 -8.181 209 HH2 TRP 25 HH2 TRP 25 -6.660 20.969 -8.345 210 H GLU 26 H GLU 26 -5.241 24.297 -12.680 211 HA GLU 26 HA GLU 26 -4.467 25.544 -10.155 212 HB2 GLU 26 2HB GLU 26 -4.765 22.951 -10.734 213 HB3 GLU 26 3HB GLU 26 -3.074 23.125 -11.179 214 HG2 GLU 26 2HG GLU 26 -3.513 24.377 -8.652 215 HG3 GLU 26 3HG GLU 26 -4.167 22.740 -8.619 216 H ARG 27 H ARG 27 -3.862 27.180 -12.226 217 HA ARG 27 HA ARG 27 -0.954 26.846 -12.575 218 HB2 ARG 27 2HB ARG 27 -2.663 26.964 -14.602 219 HB3 ARG 27 3HB ARG 27 -2.516 28.694 -14.318 220 HG2 ARG 27 2HG ARG 27 -0.284 28.736 -14.907 221 HG3 ARG 27 3HG ARG 27 -0.065 27.013 -14.599 222 HD2 ARG 27 2HD ARG 27 -0.962 26.398 -16.617 223 HD3 ARG 27 3HD ARG 27 -1.960 27.847 -16.735 224 HE ARG 27 HE ARG 27 0.693 27.504 -17.732 225 HH11 ARG 27 1HH1 ARG 27 -1.551 29.838 -16.452 226 HH12 ARG 27 2HH1 ARG 27 -0.803 31.185 -17.245 227 HH21 ARG 27 1HH2 ARG 27 1.686 29.269 -18.782 228 HH22 ARG 27 2HH2 ARG 27 1.037 30.861 -18.571 229 H GLY 28 H GLY 28 -2.131 27.967 -10.234 230 HA2 GLY 28 2HA GLY 28 -2.110 30.821 -10.372 231 HA3 GLY 28 3HA GLY 28 -2.091 29.851 -8.907 232 H LYS 29 H LYS 29 -0.266 29.768 -7.754 233 HA LYS 29 HA LYS 29 2.085 31.124 -8.843 234 HB2 LYS 29 2HB LYS 29 1.262 30.368 -6.041 235 HB3 LYS 29 3HB LYS 29 2.867 30.976 -6.421 236 HG2 LYS 29 2HG LYS 29 1.874 33.038 -7.292 237 HG3 LYS 29 3HG LYS 29 0.269 32.427 -6.883 238 HD2 LYS 29 2HD LYS 29 1.826 32.163 -4.558 239 HD3 LYS 29 3HD LYS 29 2.188 33.762 -5.213 240 HE2 LYS 29 2HE LYS 29 -0.221 34.243 -5.319 241 HE3 LYS 29 3HE LYS 29 -0.558 32.658 -4.624 242 HZ1 LYS 29 3HZ LYS 29 0.745 34.981 -3.339 243 HZ2 LYS 29 1HZ LYS 29 0.891 33.419 -2.706 244 HZ3 LYS 29 2HZ LYS 29 -0.634 34.139 -2.838 245 H ALA 30 H ALA 30 1.928 28.824 -10.103 246 HA ALA 30 HA ALA 30 3.047 26.909 -10.615 247 HB1 ALA 30 3HB ALA 30 4.915 28.503 -9.056 248 HB2 ALA 30 1HB ALA 30 5.245 26.773 -8.963 249 HB3 ALA 30 2HB ALA 30 5.174 27.574 -10.533 Start of MODEL 12 1 H1 MET 1 H MET 1 0.922 0.557 -0.444 2 HA MET 1 HA MET 1 -0.157 -1.598 -1.479 3 HB2 MET 1 2HB MET 1 0.085 0.313 -3.643 4 HB3 MET 1 3HB MET 1 0.954 -1.172 -4.009 5 HG2 MET 1 2HG MET 1 -0.922 -2.334 -4.309 6 HG3 MET 1 3HG MET 1 -1.696 -1.630 -2.892 7 HE1 MET 1 3HE MET 1 -4.545 -0.357 -4.913 8 HE2 MET 1 1HE MET 1 -3.923 -1.848 -4.206 9 HE3 MET 1 2HE MET 1 -3.925 -0.358 -3.261 10 H LYS 2 H LYS 2 1.252 -3.249 -1.349 11 HA LYS 2 HA LYS 2 4.002 -2.664 -0.774 12 HB2 LYS 2 2HB LYS 2 4.214 -5.069 -0.373 13 HB3 LYS 2 3HB LYS 2 2.802 -4.415 0.449 14 HG2 LYS 2 2HG LYS 2 1.528 -5.189 -1.677 15 HG3 LYS 2 3HG LYS 2 2.943 -6.214 -1.929 16 HD2 LYS 2 2HD LYS 2 2.448 -6.703 0.679 17 HD3 LYS 2 3HD LYS 2 0.811 -6.382 0.103 18 HE2 LYS 2 2HE LYS 2 1.931 -8.027 -1.839 19 HE3 LYS 2 3HE LYS 2 2.502 -8.696 -0.310 20 HZ1 LYS 2 3HZ LYS 2 0.065 -9.139 -1.445 21 HZ2 LYS 2 1HZ LYS 2 -0.274 -8.008 -0.233 22 HZ3 LYS 2 2HZ LYS 2 0.485 -9.468 0.160 23 H THR 3 H THR 3 2.214 -4.093 -3.445 24 HA THR 3 HA THR 3 4.704 -4.554 -4.916 25 HB THR 3 HB THR 3 3.075 -6.389 -4.910 26 HG1 THR 3 HG1 THR 3 3.236 -6.769 -7.089 27 HG21 THR 3 1HG2 THR 3 0.899 -5.901 -4.985 28 HG22 THR 3 2HG2 THR 3 1.105 -5.524 -6.695 29 HG23 THR 3 3HG2 THR 3 1.232 -4.244 -5.489 30 H ILE 4 H ILE 4 4.081 -1.876 -4.496 31 HA ILE 4 HA ILE 4 2.642 -0.728 -6.659 32 HB ILE 4 HB ILE 4 3.129 0.414 -4.473 33 HG12 ILE 4 2HG1 ILE 4 4.003 1.953 -6.927 34 HG13 ILE 4 3HG1 ILE 4 2.326 1.592 -6.527 35 HG21 ILE 4 1HG2 ILE 4 5.815 1.019 -5.686 36 HG22 ILE 4 2HG2 ILE 4 5.231 1.436 -4.075 37 HG23 ILE 4 3HG2 ILE 4 5.559 -0.248 -4.486 38 HD11 ILE 4 3HD1 ILE 4 4.190 3.544 -5.324 39 HD12 ILE 4 1HD1 ILE 4 2.461 3.670 -5.651 40 HD13 ILE 4 2HD1 ILE 4 3.030 2.760 -4.251 41 H LEU 5 H LEU 5 5.658 -2.210 -6.506 42 HA LEU 5 HA LEU 5 7.300 -0.735 -8.159 43 HB2 LEU 5 2HB LEU 5 8.537 -2.683 -8.516 44 HB3 LEU 5 3HB LEU 5 7.786 -2.910 -6.937 45 HG LEU 5 HG LEU 5 5.967 -4.165 -8.425 46 HD11 LEU 5 1HD1 LEU 5 7.969 -5.434 -9.941 47 HD12 LEU 5 2HD1 LEU 5 8.126 -3.704 -10.241 48 HD13 LEU 5 3HD1 LEU 5 6.583 -4.512 -10.525 49 HD21 LEU 5 3HD2 LEU 5 7.132 -6.256 -7.887 50 HD22 LEU 5 1HD2 LEU 5 7.158 -5.122 -6.535 51 HD23 LEU 5 2HD2 LEU 5 8.598 -5.341 -7.530 52 H ARG 6 H ARG 6 4.596 -2.809 -9.008 53 HA ARG 6 HA ARG 6 5.088 -2.777 -11.819 54 HB2 ARG 6 2HB ARG 6 2.969 -3.858 -12.043 55 HB3 ARG 6 3HB ARG 6 3.743 -4.517 -10.608 56 HG2 ARG 6 2HG ARG 6 1.712 -4.170 -9.707 57 HG3 ARG 6 3HG ARG 6 2.333 -2.534 -9.483 58 HD2 ARG 6 2HD ARG 6 0.335 -2.071 -10.497 59 HD3 ARG 6 3HD ARG 6 1.379 -2.197 -11.912 60 HE ARG 6 HE ARG 6 0.441 -4.722 -11.575 61 HH11 ARG 6 1HH1 ARG 6 -1.065 -1.597 -11.865 62 HH12 ARG 6 2HH1 ARG 6 -2.504 -2.214 -12.607 63 HH21 ARG 6 1HH2 ARG 6 -1.448 -5.547 -12.551 64 HH22 ARG 6 2HH2 ARG 6 -2.721 -4.462 -12.997 65 H PHE 7 H PHE 7 3.294 -0.761 -9.591 66 HA PHE 7 HA PHE 7 1.886 0.689 -11.621 67 HB2 PHE 7 2HB PHE 7 0.890 0.579 -9.443 68 HB3 PHE 7 3HB PHE 7 2.344 1.216 -8.683 69 HD1 PHE 7 HD2 PHE 7 0.064 2.242 -11.458 70 HD2 PHE 7 HD1 PHE 7 2.155 3.363 -7.924 71 HE1 PHE 7 HE2 PHE 7 -0.841 4.521 -11.651 72 HE2 PHE 7 HE1 PHE 7 1.252 5.644 -8.111 73 HZ PHE 7 HZ PHE 7 -0.247 6.227 -9.976 74 H VAL 8 H VAL 8 4.610 1.480 -9.467 75 HA VAL 8 HA VAL 8 5.146 4.009 -10.586 76 HB VAL 8 HB VAL 8 7.028 2.141 -9.136 77 HG11 VAL 8 1HG1 VAL 8 8.352 4.152 -8.677 78 HG12 VAL 8 2HG1 VAL 8 8.245 3.824 -10.408 79 HG13 VAL 8 3HG1 VAL 8 7.260 5.098 -9.687 80 HG21 VAL 8 3HG2 VAL 8 4.791 3.698 -8.249 81 HG22 VAL 8 1HG2 VAL 8 5.842 2.628 -7.322 82 HG23 VAL 8 2HG2 VAL 8 6.275 4.325 -7.531 83 H ALA 9 H ALA 9 6.185 0.774 -11.441 84 HA ALA 9 HA ALA 9 8.364 1.279 -13.053 85 HB1 ALA 9 3HB ALA 9 6.196 -0.791 -13.290 86 HB2 ALA 9 1HB ALA 9 7.611 -0.764 -14.344 87 HB3 ALA 9 2HB ALA 9 7.810 -0.970 -12.603 88 H GLY 10 H GLY 10 4.930 1.254 -14.009 89 HA2 GLY 10 2HA GLY 10 5.464 2.038 -16.701 90 HA3 GLY 10 3HA GLY 10 3.893 2.032 -15.913 91 H TYR 11 H TYR 11 4.897 3.779 -13.733 92 HA TYR 11 HA TYR 11 4.249 6.274 -14.960 93 HB2 TYR 11 2HB TYR 11 3.744 5.504 -12.555 94 HB3 TYR 11 3HB TYR 11 5.403 5.967 -12.196 95 HD1 TYR 11 HD1 TYR 11 6.061 8.405 -12.965 96 HD2 TYR 11 HD2 TYR 11 2.074 7.082 -12.290 97 HE1 TYR 11 HE1 TYR 11 5.346 10.737 -12.646 98 HE2 TYR 11 HE2 TYR 11 1.349 9.409 -11.971 99 HH TYR 11 HH TYR 11 1.985 11.609 -12.383 100 H ASP 12 H ASP 12 7.208 4.714 -13.915 101 HA ASP 12 HA ASP 12 8.903 6.964 -14.015 102 HB2 ASP 12 2HB ASP 12 9.326 4.583 -13.051 103 HB3 ASP 12 3HB ASP 12 9.855 4.197 -14.686 104 H ILE 13 H ILE 13 7.697 4.799 -16.475 105 HA ILE 13 HA ILE 13 9.494 5.862 -18.496 106 HB ILE 13 HB ILE 13 7.230 3.883 -18.765 107 HG12 ILE 13 2HG1 ILE 13 9.908 2.871 -19.207 108 HG13 ILE 13 3HG1 ILE 13 9.754 3.566 -17.598 109 HG21 ILE 13 1HG2 ILE 13 7.659 5.031 -20.857 110 HG22 ILE 13 2HG2 ILE 13 9.381 4.686 -20.717 111 HG23 ILE 13 3HG2 ILE 13 8.235 3.367 -20.950 112 HD11 ILE 13 3HD1 ILE 13 8.624 1.114 -18.705 113 HD12 ILE 13 1HD1 ILE 13 8.995 1.547 -17.036 114 HD13 ILE 13 2HD1 ILE 13 7.484 2.083 -17.772 115 H ALA 14 H ALA 14 6.022 5.863 -17.768 116 HA ALA 14 HA ALA 14 5.205 7.384 -19.989 117 HB1 ALA 14 3HB ALA 14 3.860 7.354 -17.296 118 HB2 ALA 14 1HB ALA 14 3.125 7.653 -18.871 119 HB3 ALA 14 2HB ALA 14 3.725 6.044 -18.468 120 H SER 15 H SER 15 6.339 8.308 -16.783 121 HA SER 15 HA SER 15 5.738 11.081 -17.068 122 HB2 SER 15 2HB SER 15 6.102 9.798 -14.886 123 HB3 SER 15 3HB SER 15 7.829 9.921 -15.225 124 HG SER 15 HG SER 15 7.785 11.956 -14.686 125 H HIS 16 H HIS 16 8.418 9.050 -17.951 126 HA HIS 16 HA HIS 16 10.257 11.220 -18.386 127 HB2 HIS 16 2HB HIS 16 10.315 8.290 -18.559 128 HB3 HIS 16 3HB HIS 16 11.284 9.095 -19.789 129 HD1 HIS 16 HD1 HIS 16 13.601 9.566 -19.087 130 HD2 HIS 16 HD2 HIS 16 11.015 9.391 -15.839 131 HE1 HIS 16 HE1 HIS 16 15.051 9.874 -17.056 132 H LYS 17 H LYS 17 8.000 9.355 -20.307 133 HA LYS 17 HA LYS 17 8.936 10.382 -22.825 134 HB2 LYS 17 2HB LYS 17 6.993 8.425 -21.908 135 HB3 LYS 17 3HB LYS 17 6.350 9.416 -23.210 136 HG2 LYS 17 2HG LYS 17 7.310 7.767 -24.437 137 HG3 LYS 17 3HG LYS 17 8.691 8.860 -24.305 138 HD2 LYS 17 2HD LYS 17 9.092 7.444 -22.087 139 HD3 LYS 17 3HD LYS 17 8.208 6.229 -23.014 140 HE2 LYS 17 2HE LYS 17 10.070 7.343 -24.788 141 HE3 LYS 17 3HE LYS 17 10.939 7.102 -23.272 142 HZ1 LYS 17 3HZ LYS 17 9.313 4.854 -23.900 143 HZ2 LYS 17 1HZ LYS 17 10.977 4.925 -23.605 144 HZ3 LYS 17 2HZ LYS 17 10.383 5.195 -25.166 145 H LYS 18 H LYS 18 5.923 10.812 -20.961 146 HA LYS 18 HA LYS 18 5.112 13.050 -22.570 147 HB2 LYS 18 2HB LYS 18 3.965 11.414 -20.432 148 HB3 LYS 18 3HB LYS 18 3.538 13.116 -20.305 149 HG2 LYS 18 2HG LYS 18 3.254 11.733 -22.930 150 HG3 LYS 18 3HG LYS 18 2.046 11.470 -21.670 151 HD2 LYS 18 2HD LYS 18 1.768 13.938 -21.508 152 HD3 LYS 18 3HD LYS 18 2.863 14.110 -22.881 153 HE2 LYS 18 2HE LYS 18 0.629 12.238 -23.279 154 HE3 LYS 18 3HE LYS 18 0.167 13.928 -23.081 155 HZ1 LYS 18 3HZ LYS 18 0.519 13.452 -25.393 156 HZ2 LYS 18 1HZ LYS 18 2.066 12.841 -25.089 157 HZ3 LYS 18 2HZ LYS 18 1.747 14.486 -24.862 158 H LYS 19 H LYS 19 5.919 12.710 -19.110 159 HA LYS 19 HA LYS 19 6.711 14.200 -17.581 160 HB2 LYS 19 2HB LYS 19 8.646 14.042 -19.190 161 HB3 LYS 19 3HB LYS 19 8.053 15.514 -19.946 162 HG2 LYS 19 2HG LYS 19 8.899 16.815 -18.343 163 HG3 LYS 19 3HG LYS 19 8.361 15.736 -17.054 164 HD2 LYS 19 2HD LYS 19 10.588 15.411 -16.805 165 HD3 LYS 19 3HD LYS 19 10.328 14.238 -18.099 166 HE2 LYS 19 2HE LYS 19 11.138 17.108 -18.542 167 HE3 LYS 19 3HE LYS 19 12.272 15.760 -18.464 168 HZ1 LYS 19 3HZ LYS 19 10.380 14.973 -20.277 169 HZ2 LYS 19 1HZ LYS 19 11.934 15.540 -20.632 170 HZ3 LYS 19 2HZ LYS 19 10.624 16.610 -20.630 171 H THR 20 H THR 20 4.650 15.093 -17.139 172 HA THR 20 HA THR 20 4.494 17.920 -17.712 173 HB THR 20 HB THR 20 3.287 17.217 -19.634 174 HG1 THR 20 HG1 THR 20 1.059 17.840 -18.963 175 HG21 THR 20 1HG2 THR 20 2.900 14.895 -19.056 176 HG22 THR 20 2HG2 THR 20 1.372 15.656 -19.499 177 HG23 THR 20 3HG2 THR 20 1.756 15.370 -17.802 178 H GLY 21 H GLY 21 2.854 19.013 -16.420 179 HA2 GLY 21 2HA GLY 21 2.806 18.175 -13.764 180 HA3 GLY 21 3HA GLY 21 1.745 19.397 -14.448 181 H GLY 22 H GLY 22 0.042 18.211 -16.028 182 HA2 GLY 22 2HA GLY 22 -1.495 16.412 -16.259 183 HA3 GLY 22 3HA GLY 22 -0.985 15.811 -14.689 184 H TYR 23 H TYR 23 -3.050 18.041 -16.382 185 HA TYR 23 HA TYR 23 -4.061 19.552 -14.291 186 HB2 TYR 23 2HB TYR 23 -5.152 18.652 -16.922 187 HB3 TYR 23 3HB TYR 23 -6.248 19.415 -15.777 188 HD1 TYR 23 HD2 TYR 23 -4.789 21.542 -14.576 189 HD2 TYR 23 HD1 TYR 23 -4.574 20.137 -18.586 190 HE1 TYR 23 HE2 TYR 23 -4.012 23.758 -15.306 191 HE2 TYR 23 HE1 TYR 23 -3.795 22.349 -19.326 192 HH TYR 23 HH TYR 23 -4.117 25.073 -17.630 193 HA PRO 24 HA PRO 24 -6.522 16.930 -11.778 194 HB2 PRO 24 2HB PRO 24 -8.675 18.495 -11.237 195 HB3 PRO 24 3HB PRO 24 -7.074 18.790 -10.547 196 HG2 PRO 24 2HG PRO 24 -8.400 20.107 -12.886 197 HG3 PRO 24 3HG PRO 24 -7.456 20.841 -11.575 198 HD2 PRO 24 2HD PRO 24 -6.413 20.355 -14.028 199 HD3 PRO 24 3HD PRO 24 -5.441 20.279 -12.543 200 H TRP 25 H TRP 25 -8.062 18.355 -14.590 201 HA TRP 25 HA TRP 25 -10.148 16.296 -14.543 202 HB2 TRP 25 2HB TRP 25 -11.103 17.659 -16.459 203 HB3 TRP 25 3HB TRP 25 -11.064 18.461 -14.891 204 HD1 TRP 25 HD1 TRP 25 -9.836 20.734 -14.764 205 HE1 TRP 25 HE1 TRP 25 -8.455 22.143 -16.416 206 HE3 TRP 25 HE3 TRP 25 -9.366 17.324 -18.543 207 HZ2 TRP 25 HZ2 TRP 25 -7.316 21.848 -18.982 208 HZ3 TRP 25 HZ3 TRP 25 -8.115 17.965 -20.561 209 HH2 TRP 25 HH2 TRP 25 -7.113 20.181 -20.775 210 H GLU 26 H GLU 26 -7.190 17.085 -16.052 211 HA GLU 26 HA GLU 26 -7.723 15.382 -18.367 212 HB2 GLU 26 2HB GLU 26 -6.363 17.698 -18.221 213 HB3 GLU 26 3HB GLU 26 -5.038 16.573 -17.954 214 HG2 GLU 26 2HG GLU 26 -5.416 15.504 -20.043 215 HG3 GLU 26 3HG GLU 26 -6.926 16.381 -20.284 216 H ARG 27 H ARG 27 -7.802 13.934 -16.076 217 HA ARG 27 HA ARG 27 -5.210 12.538 -16.010 218 HB2 ARG 27 2HB ARG 27 -6.515 13.606 -13.887 219 HB3 ARG 27 3HB ARG 27 -7.178 11.978 -13.880 220 HG2 ARG 27 2HG ARG 27 -4.928 11.049 -13.772 221 HG3 ARG 27 3HG ARG 27 -4.250 12.678 -13.804 222 HD2 ARG 27 2HD ARG 27 -5.355 13.200 -11.702 223 HD3 ARG 27 3HD ARG 27 -6.104 11.604 -11.681 224 HE ARG 27 HE ARG 27 -4.151 10.748 -10.865 225 HH11 ARG 27 1HH1 ARG 27 -3.508 13.863 -12.281 226 HH12 ARG 27 2HH1 ARG 27 -1.863 13.914 -11.741 227 HH21 ARG 27 1HH2 ARG 27 -1.986 10.804 -10.149 228 HH22 ARG 27 2HH2 ARG 27 -0.998 12.173 -10.528 229 H GLY 28 H GLY 28 -7.173 12.105 -18.045 230 HA2 GLY 28 2HA GLY 28 -7.435 9.886 -19.025 231 HA3 GLY 28 3HA GLY 28 -7.875 9.303 -17.427 232 H LYS 29 H LYS 29 -9.857 10.436 -16.475 233 HA LYS 29 HA LYS 29 -11.789 11.369 -18.416 234 HB2 LYS 29 2HB LYS 29 -13.404 9.629 -18.085 235 HB3 LYS 29 3HB LYS 29 -11.890 8.873 -18.566 236 HG2 LYS 29 2HG LYS 29 -12.325 7.500 -16.850 237 HG3 LYS 29 3HG LYS 29 -11.635 8.805 -15.881 238 HD2 LYS 29 2HD LYS 29 -13.615 9.316 -14.949 239 HD3 LYS 29 3HD LYS 29 -14.488 9.124 -16.472 240 HE2 LYS 29 2HE LYS 29 -15.339 7.429 -15.110 241 HE3 LYS 29 3HE LYS 29 -14.153 6.607 -16.123 242 HZ1 LYS 29 3HZ LYS 29 -12.981 7.615 -13.728 243 HZ2 LYS 29 1HZ LYS 29 -12.972 6.042 -14.348 244 HZ3 LYS 29 2HZ LYS 29 -14.263 6.565 -13.389 245 H ALA 30 H ALA 30 -13.186 12.760 -17.508 246 HA ALA 30 HA ALA 30 -14.111 12.561 -14.827 247 HB1 ALA 30 3HB ALA 30 -12.894 15.058 -14.615 248 HB2 ALA 30 1HB ALA 30 -12.459 13.584 -13.749 249 HB3 ALA 30 2HB ALA 30 -11.645 13.993 -15.260 Start of MODEL 13 1 H1 MET 1 H MET 1 0.555 -1.349 0.701 2 HA MET 1 HA MET 1 0.228 -1.651 -1.815 3 HB2 MET 1 2HB MET 1 0.908 1.245 -1.500 4 HB3 MET 1 3HB MET 1 1.424 0.397 -2.952 5 HG2 MET 1 2HG MET 1 -1.058 -0.344 -3.088 6 HG3 MET 1 3HG MET 1 -1.336 1.015 -2.002 7 HE1 MET 1 3HE MET 1 0.151 0.938 -6.257 8 HE2 MET 1 1HE MET 1 -0.240 -0.384 -5.157 9 HE3 MET 1 2HE MET 1 -1.533 0.482 -5.989 10 H LYS 2 H LYS 2 1.713 -3.259 -1.365 11 HA LYS 2 HA LYS 2 4.501 -2.479 -0.932 12 HB2 LYS 2 2HB LYS 2 2.928 -4.553 0.082 13 HB3 LYS 2 3HB LYS 2 4.018 -5.337 -1.054 14 HG2 LYS 2 2HG LYS 2 5.675 -5.228 0.408 15 HG3 LYS 2 3HG LYS 2 5.495 -3.477 0.533 16 HD2 LYS 2 2HD LYS 2 5.109 -4.116 2.709 17 HD3 LYS 2 3HD LYS 2 3.464 -4.104 2.069 18 HE2 LYS 2 2HE LYS 2 5.149 -6.589 2.046 19 HE3 LYS 2 3HE LYS 2 4.206 -6.128 3.463 20 HZ1 LYS 2 3HZ LYS 2 2.779 -7.502 2.309 21 HZ2 LYS 2 1HZ LYS 2 3.257 -6.928 0.791 22 HZ3 LYS 2 2HZ LYS 2 2.279 -5.973 1.787 23 H THR 3 H THR 3 2.391 -3.958 -3.282 24 HA THR 3 HA THR 3 4.650 -4.636 -5.011 25 HB THR 3 HB THR 3 2.806 -6.286 -4.724 26 HG1 THR 3 HG1 THR 3 3.990 -6.444 -6.613 27 HG21 THR 3 1HG2 THR 3 1.115 -4.514 -6.459 28 HG22 THR 3 2HG2 THR 3 1.037 -4.403 -4.700 29 HG23 THR 3 3HG2 THR 3 0.638 -5.919 -5.507 30 H ILE 4 H ILE 4 4.060 -1.866 -4.496 31 HA ILE 4 HA ILE 4 2.619 -0.731 -6.668 32 HB ILE 4 HB ILE 4 3.091 0.422 -4.484 33 HG12 ILE 4 2HG1 ILE 4 3.971 1.955 -6.938 34 HG13 ILE 4 3HG1 ILE 4 2.294 1.589 -6.547 35 HG21 ILE 4 1HG2 ILE 4 5.524 -0.233 -4.485 36 HG22 ILE 4 2HG2 ILE 4 5.780 1.031 -5.684 37 HG23 ILE 4 3HG2 ILE 4 5.188 1.449 -4.077 38 HD11 ILE 4 3HD1 ILE 4 3.822 3.796 -5.738 39 HD12 ILE 4 1HD1 ILE 4 2.177 3.377 -5.259 40 HD13 ILE 4 2HD1 ILE 4 3.546 2.819 -4.296 41 H LEU 5 H LEU 5 5.637 -2.202 -6.495 42 HA LEU 5 HA LEU 5 7.284 -0.728 -8.145 43 HB2 LEU 5 2HB LEU 5 8.528 -2.673 -8.488 44 HB3 LEU 5 3HB LEU 5 7.771 -2.897 -6.913 45 HG LEU 5 HG LEU 5 5.962 -4.163 -8.405 46 HD11 LEU 5 1HD1 LEU 5 8.343 -5.108 -9.864 47 HD12 LEU 5 2HD1 LEU 5 7.686 -3.553 -10.372 48 HD13 LEU 5 3HD1 LEU 5 6.663 -4.989 -10.382 49 HD21 LEU 5 3HD2 LEU 5 7.007 -5.211 -6.554 50 HD22 LEU 5 1HD2 LEU 5 8.578 -5.217 -7.354 51 HD23 LEU 5 2HD2 LEU 5 7.284 -6.260 -7.944 52 H ARG 6 H ARG 6 4.589 -2.813 -8.999 53 HA ARG 6 HA ARG 6 5.095 -2.790 -11.808 54 HB2 ARG 6 2HB ARG 6 2.995 -3.892 -12.040 55 HB3 ARG 6 3HB ARG 6 3.745 -4.523 -10.579 56 HG2 ARG 6 2HG ARG 6 1.668 -4.180 -9.763 57 HG3 ARG 6 3HG ARG 6 2.318 -2.564 -9.481 58 HD2 ARG 6 2HD ARG 6 0.443 -1.939 -10.578 59 HD3 ARG 6 3HD ARG 6 1.442 -2.259 -11.996 60 HE ARG 6 HE ARG 6 0.073 -4.601 -11.161 61 HH11 ARG 6 1HH1 ARG 6 -0.381 -1.569 -12.813 62 HH12 ARG 6 2HH1 ARG 6 -1.707 -2.141 -13.771 63 HH21 ARG 6 1HH2 ARG 6 -1.671 -5.365 -12.417 64 HH22 ARG 6 2HH2 ARG 6 -2.441 -4.300 -13.544 65 H PHE 7 H PHE 7 3.285 -0.772 -9.596 66 HA PHE 7 HA PHE 7 1.883 0.667 -11.639 67 HB2 PHE 7 2HB PHE 7 0.876 0.562 -9.465 68 HB3 PHE 7 3HB PHE 7 2.325 1.206 -8.701 69 HD1 PHE 7 HD2 PHE 7 0.054 2.214 -11.490 70 HD2 PHE 7 HD1 PHE 7 2.126 3.355 -7.951 71 HE1 PHE 7 HE2 PHE 7 -0.857 4.491 -11.694 72 HE2 PHE 7 HE1 PHE 7 1.217 5.632 -8.149 73 HZ PHE 7 HZ PHE 7 -0.275 6.204 -10.023 74 H VAL 8 H VAL 8 4.596 1.470 -9.475 75 HA VAL 8 HA VAL 8 5.128 3.999 -10.601 76 HB VAL 8 HB VAL 8 7.008 2.143 -9.133 77 HG11 VAL 8 1HG1 VAL 8 7.234 5.097 -9.700 78 HG12 VAL 8 2HG1 VAL 8 8.325 4.159 -8.677 79 HG13 VAL 8 3HG1 VAL 8 8.227 3.823 -10.406 80 HG21 VAL 8 3HG2 VAL 8 4.762 3.696 -8.265 81 HG22 VAL 8 1HG2 VAL 8 5.811 2.634 -7.328 82 HG23 VAL 8 2HG2 VAL 8 6.240 4.330 -7.541 83 H ALA 9 H ALA 9 6.179 0.764 -11.438 84 HA ALA 9 HA ALA 9 8.367 1.268 -13.041 85 HB1 ALA 9 3HB ALA 9 7.814 -0.980 -12.584 86 HB2 ALA 9 1HB ALA 9 6.204 -0.807 -13.283 87 HB3 ALA 9 2HB ALA 9 7.627 -0.782 -14.326 88 H GLY 10 H GLY 10 4.937 1.231 -14.015 89 HA2 GLY 10 2HA GLY 10 5.484 2.008 -16.707 90 HA3 GLY 10 3HA GLY 10 3.909 2.000 -15.927 91 H TYR 11 H TYR 11 4.897 3.759 -13.749 92 HA TYR 11 HA TYR 11 4.251 6.246 -14.988 93 HB2 TYR 11 2HB TYR 11 3.725 5.493 -12.588 94 HB3 TYR 11 3HB TYR 11 5.386 5.941 -12.215 95 HD1 TYR 11 HD1 TYR 11 6.070 8.374 -12.991 96 HD2 TYR 11 HD2 TYR 11 2.070 7.084 -12.326 97 HE1 TYR 11 HE1 TYR 11 5.373 10.712 -12.680 98 HE2 TYR 11 HE2 TYR 11 1.362 9.419 -12.013 99 HH TYR 11 HH TYR 11 3.490 11.930 -11.491 100 H ASP 12 H ASP 12 7.207 4.697 -13.920 101 HA ASP 12 HA ASP 12 8.898 6.949 -14.016 102 HB2 ASP 12 2HB ASP 12 9.324 4.574 -13.046 103 HB3 ASP 12 3HB ASP 12 9.853 4.179 -14.679 104 H ILE 13 H ILE 13 7.652 4.835 -16.484 105 HA ILE 13 HA ILE 13 9.479 5.870 -18.498 106 HB ILE 13 HB ILE 13 7.188 3.920 -18.778 107 HG12 ILE 13 2HG1 ILE 13 9.858 2.879 -19.218 108 HG13 ILE 13 3HG1 ILE 13 9.704 3.564 -17.604 109 HG21 ILE 13 1HG2 ILE 13 7.380 4.370 -20.955 110 HG22 ILE 13 2HG2 ILE 13 8.872 5.279 -20.720 111 HG23 ILE 13 3HG2 ILE 13 8.925 3.523 -20.876 112 HD11 ILE 13 3HD1 ILE 13 7.405 2.091 -17.864 113 HD12 ILE 13 1HD1 ILE 13 8.605 1.113 -18.709 114 HD13 ILE 13 2HD1 ILE 13 8.875 1.585 -17.031 115 H ALA 14 H ALA 14 5.996 5.884 -17.807 116 HA ALA 14 HA ALA 14 5.217 7.443 -20.013 117 HB1 ALA 14 3HB ALA 14 3.834 7.398 -17.340 118 HB2 ALA 14 1HB ALA 14 3.124 7.700 -18.926 119 HB3 ALA 14 2HB ALA 14 3.714 6.089 -18.516 120 H SER 15 H SER 15 6.353 8.311 -16.797 121 HA SER 15 HA SER 15 5.755 11.090 -17.028 122 HB2 SER 15 2HB SER 15 6.023 9.976 -14.843 123 HB3 SER 15 3HB SER 15 7.727 9.694 -15.200 124 HG SER 15 HG SER 15 6.494 11.943 -14.291 125 H HIS 16 H HIS 16 8.414 9.070 -17.982 126 HA HIS 16 HA HIS 16 10.238 11.268 -18.405 127 HB2 HIS 16 2HB HIS 16 10.359 8.349 -18.483 128 HB3 HIS 16 3HB HIS 16 11.269 9.107 -19.786 129 HD1 HIS 16 HD1 HIS 16 13.633 9.333 -19.142 130 HD2 HIS 16 HD2 HIS 16 11.103 9.913 -15.899 131 HE1 HIS 16 HE1 HIS 16 15.142 9.845 -17.196 132 H LYS 17 H LYS 17 8.013 9.343 -20.302 133 HA LYS 17 HA LYS 17 8.942 10.320 -22.838 134 HB2 LYS 17 2HB LYS 17 7.014 8.380 -21.880 135 HB3 LYS 17 3HB LYS 17 6.335 9.363 -23.171 136 HG2 LYS 17 2HG LYS 17 7.268 7.709 -24.412 137 HG3 LYS 17 3HG LYS 17 8.647 8.808 -24.324 138 HD2 LYS 17 2HD LYS 17 9.507 7.531 -22.397 139 HD3 LYS 17 3HD LYS 17 8.154 6.409 -22.558 140 HE2 LYS 17 2HE LYS 17 9.828 6.915 -24.957 141 HE3 LYS 17 3HE LYS 17 10.527 5.944 -23.661 142 HZ1 LYS 17 3HZ LYS 17 8.480 4.548 -23.789 143 HZ2 LYS 17 1HZ LYS 17 9.465 4.474 -25.162 144 HZ3 LYS 17 2HZ LYS 17 8.045 5.393 -25.189 145 H LYS 18 H LYS 18 5.931 10.808 -20.986 146 HA LYS 18 HA LYS 18 5.139 13.021 -22.640 147 HB2 LYS 18 2HB LYS 18 4.006 11.553 -20.323 148 HB3 LYS 18 3HB LYS 18 3.471 13.214 -20.545 149 HG2 LYS 18 2HG LYS 18 2.891 12.595 -22.913 150 HG3 LYS 18 3HG LYS 18 3.191 10.916 -22.462 151 HD2 LYS 18 2HD LYS 18 1.528 11.333 -20.556 152 HD3 LYS 18 3HD LYS 18 1.069 12.783 -21.450 153 HE2 LYS 18 2HE LYS 18 -0.285 11.535 -22.692 154 HE3 LYS 18 3HE LYS 18 1.127 10.689 -23.321 155 HZ1 LYS 18 3HZ LYS 18 -0.357 9.084 -22.425 156 HZ2 LYS 18 1HZ LYS 18 -0.512 9.932 -20.969 157 HZ3 LYS 18 2HZ LYS 18 0.956 9.191 -21.364 158 H LYS 19 H LYS 19 6.038 12.708 -19.203 159 HA LYS 19 HA LYS 19 6.903 14.193 -17.715 160 HB2 LYS 19 2HB LYS 19 8.791 14.204 -19.258 161 HB3 LYS 19 3HB LYS 19 8.009 15.435 -20.240 162 HG2 LYS 19 2HG LYS 19 8.085 16.532 -17.692 163 HG3 LYS 19 3HG LYS 19 9.641 15.720 -17.878 164 HD2 LYS 19 2HD LYS 19 8.567 17.481 -20.051 165 HD3 LYS 19 3HD LYS 19 9.405 18.175 -18.661 166 HE2 LYS 19 2HE LYS 19 10.768 15.894 -19.910 167 HE3 LYS 19 3HE LYS 19 10.616 17.316 -20.942 168 HZ1 LYS 19 3HZ LYS 19 12.530 16.919 -19.054 169 HZ2 LYS 19 1HZ LYS 19 11.447 17.962 -18.277 170 HZ3 LYS 19 2HZ LYS 19 12.134 18.405 -19.758 171 H THR 20 H THR 20 4.888 14.991 -17.042 172 HA THR 20 HA THR 20 4.558 17.767 -17.181 173 HB THR 20 HB THR 20 3.777 17.534 -19.430 174 HG1 THR 20 HG1 THR 20 2.512 18.879 -17.971 175 HG21 THR 20 1HG2 THR 20 3.277 15.133 -19.387 176 HG22 THR 20 2HG2 THR 20 1.928 16.056 -20.049 177 HG23 THR 20 3HG2 THR 20 1.853 15.448 -18.396 178 H GLY 21 H GLY 21 2.918 18.528 -15.802 179 HA2 GLY 21 2HA GLY 21 2.153 16.693 -13.753 180 HA3 GLY 21 3HA GLY 21 1.703 18.389 -13.849 181 H GLY 22 H GLY 22 0.177 18.701 -15.949 182 HA2 GLY 22 2HA GLY 22 -1.587 16.845 -16.860 183 HA3 GLY 22 3HA GLY 22 -2.206 17.233 -15.262 184 H TYR 23 H TYR 23 -2.334 18.026 -18.488 185 HA TYR 23 HA TYR 23 -2.599 20.790 -18.546 186 HB2 TYR 23 2HB TYR 23 -3.686 18.559 -20.207 187 HB3 TYR 23 3HB TYR 23 -4.325 20.180 -20.457 188 HD1 TYR 23 HD2 TYR 23 -2.104 21.947 -20.274 189 HD2 TYR 23 HD1 TYR 23 -2.211 18.013 -21.892 190 HE1 TYR 23 HE2 TYR 23 -0.180 22.489 -21.706 191 HE2 TYR 23 HE1 TYR 23 -0.286 18.544 -23.327 192 HH TYR 23 HH TYR 23 1.454 21.577 -23.018 193 HA PRO 24 HA PRO 24 -6.355 21.822 -16.531 194 HB2 PRO 24 2HB PRO 24 -7.377 23.745 -18.153 195 HB3 PRO 24 3HB PRO 24 -5.962 24.006 -17.125 196 HG2 PRO 24 2HG PRO 24 -6.089 23.371 -20.048 197 HG3 PRO 24 3HG PRO 24 -5.060 24.540 -19.202 198 HD2 PRO 24 2HD PRO 24 -4.163 22.107 -19.982 199 HD3 PRO 24 3HD PRO 24 -3.565 22.923 -18.523 200 H TRP 25 H TRP 25 -6.549 20.950 -19.923 201 HA TRP 25 HA TRP 25 -9.402 20.340 -19.646 202 HB2 TRP 25 2HB TRP 25 -9.245 19.951 -22.150 203 HB3 TRP 25 3HB TRP 25 -8.966 21.604 -21.610 204 HD1 TRP 25 HD1 TRP 25 -6.735 22.708 -22.313 205 HE1 TRP 25 HE1 TRP 25 -4.631 21.908 -23.562 206 HE3 TRP 25 HE3 TRP 25 -7.731 17.696 -22.454 207 HZ2 TRP 25 HZ2 TRP 25 -3.538 19.474 -24.484 208 HZ3 TRP 25 HZ3 TRP 25 -6.106 16.201 -23.538 209 HH2 TRP 25 HH2 TRP 25 -4.053 17.073 -24.532 210 H GLU 26 H GLU 26 -6.331 18.851 -19.680 211 HA GLU 26 HA GLU 26 -7.421 16.234 -20.389 212 HB2 GLU 26 2HB GLU 26 -5.058 17.341 -21.043 213 HB3 GLU 26 3HB GLU 26 -4.586 16.514 -19.565 214 HG2 GLU 26 2HG GLU 26 -5.123 14.408 -20.436 215 HG3 GLU 26 3HG GLU 26 -6.054 15.102 -21.763 216 H ARG 27 H ARG 27 -8.522 17.153 -18.081 217 HA ARG 27 HA ARG 27 -7.082 15.742 -15.937 218 HB2 ARG 27 2HB ARG 27 -7.931 18.258 -15.823 219 HB3 ARG 27 3HB ARG 27 -9.437 17.476 -15.363 220 HG2 ARG 27 2HG ARG 27 -8.178 16.286 -13.564 221 HG3 ARG 27 3HG ARG 27 -6.781 17.285 -13.968 222 HD2 ARG 27 2HD ARG 27 -8.848 19.105 -13.706 223 HD3 ARG 27 3HD ARG 27 -9.152 17.936 -12.422 224 HE ARG 27 HE ARG 27 -7.298 18.713 -11.326 225 HH11 ARG 27 1HH1 ARG 27 -7.218 19.816 -14.627 226 HH12 ARG 27 2HH1 ARG 27 -5.860 20.863 -14.380 227 HH21 ARG 27 1HH2 ARG 27 -5.510 20.088 -10.989 228 HH22 ARG 27 2HH2 ARG 27 -4.889 21.017 -12.311 229 H GLY 28 H GLY 28 -8.563 14.328 -17.934 230 HA2 GLY 28 2HA GLY 28 -11.127 13.612 -16.832 231 HA3 GLY 28 3HA GLY 28 -10.330 12.854 -18.202 232 H LYS 29 H LYS 29 -9.124 11.025 -17.903 233 HA LYS 29 HA LYS 29 -9.465 9.709 -15.327 234 HB2 LYS 29 2HB LYS 29 -8.762 7.678 -16.494 235 HB3 LYS 29 3HB LYS 29 -10.067 8.478 -17.359 236 HG2 LYS 29 2HG LYS 29 -7.688 9.514 -18.420 237 HG3 LYS 29 3HG LYS 29 -7.449 7.772 -18.272 238 HD2 LYS 29 2HD LYS 29 -9.835 9.066 -19.588 239 HD3 LYS 29 3HD LYS 29 -8.418 8.466 -20.453 240 HE2 LYS 29 2HE LYS 29 -8.930 6.250 -19.176 241 HE3 LYS 29 3HE LYS 29 -10.538 6.947 -18.994 242 HZ1 LYS 29 3HZ LYS 29 -9.273 5.837 -21.328 243 HZ2 LYS 29 1HZ LYS 29 -10.016 7.330 -21.614 244 HZ3 LYS 29 2HZ LYS 29 -10.917 6.044 -20.984 245 H ALA 30 H ALA 30 -7.749 8.757 -14.166 246 HA ALA 30 HA ALA 30 -5.703 8.777 -13.165 247 HB1 ALA 30 3HB ALA 30 -3.778 8.484 -14.606 248 HB2 ALA 30 1HB ALA 30 -5.136 7.536 -15.213 249 HB3 ALA 30 2HB ALA 30 -4.700 9.056 -15.996 Start of MODEL 14 1 H1 MET 1 H MET 1 0.893 0.113 0.013 2 HA MET 1 HA MET 1 1.761 -0.379 -2.034 3 HB2 MET 1 2HB MET 1 3.936 0.853 -2.561 4 HB3 MET 1 3HB MET 1 2.556 1.836 -2.091 5 HG2 MET 1 2HG MET 1 4.352 0.980 0.084 6 HG3 MET 1 3HG MET 1 5.009 2.137 -1.070 7 HE1 MET 1 3HE MET 1 4.144 2.601 2.349 8 HE2 MET 1 1HE MET 1 2.419 2.961 2.438 9 HE3 MET 1 2HE MET 1 2.961 1.386 1.859 10 H LYS 2 H LYS 2 1.975 -2.625 -1.352 11 HA LYS 2 HA LYS 2 4.647 -3.523 -0.631 12 HB2 LYS 2 2HB LYS 2 1.947 -4.599 -0.462 13 HB3 LYS 2 3HB LYS 2 3.090 -5.776 -1.093 14 HG2 LYS 2 2HG LYS 2 3.423 -6.223 1.080 15 HG3 LYS 2 3HG LYS 2 4.496 -4.825 0.996 16 HD2 LYS 2 2HD LYS 2 1.595 -4.441 1.607 17 HD3 LYS 2 3HD LYS 2 2.698 -4.974 2.878 18 HE2 LYS 2 2HE LYS 2 4.115 -3.013 2.444 19 HE3 LYS 2 3HE LYS 2 2.982 -2.479 1.204 20 HZ1 LYS 2 3HZ LYS 2 2.145 -1.312 2.922 21 HZ2 LYS 2 1HZ LYS 2 2.756 -2.362 4.100 22 HZ3 LYS 2 2HZ LYS 2 1.339 -2.759 3.267 23 H THR 3 H THR 3 2.494 -3.470 -3.380 24 HA THR 3 HA THR 3 4.647 -4.634 -5.017 25 HB THR 3 HB THR 3 2.800 -6.274 -4.715 26 HG1 THR 3 HG1 THR 3 4.097 -6.049 -6.713 27 HG21 THR 3 1HG2 THR 3 0.926 -5.064 -6.526 28 HG22 THR 3 2HG2 THR 3 1.173 -4.018 -5.128 29 HG23 THR 3 3HG2 THR 3 0.657 -5.689 -4.900 30 H ILE 4 H ILE 4 4.062 -1.858 -4.496 31 HA ILE 4 HA ILE 4 2.619 -0.723 -6.668 32 HB ILE 4 HB ILE 4 3.093 0.431 -4.486 33 HG12 ILE 4 2HG1 ILE 4 3.977 1.962 -6.940 34 HG13 ILE 4 3HG1 ILE 4 2.299 1.596 -6.552 35 HG21 ILE 4 1HG2 ILE 4 5.784 1.037 -5.687 36 HG22 ILE 4 2HG2 ILE 4 5.190 1.460 -4.081 37 HG23 ILE 4 3HG2 ILE 4 5.525 -0.225 -4.482 38 HD11 ILE 4 3HD1 ILE 4 3.444 2.802 -4.273 39 HD12 ILE 4 1HD1 ILE 4 3.904 3.767 -5.676 40 HD13 ILE 4 2HD1 ILE 4 2.201 3.442 -5.348 41 H LEU 5 H LEU 5 5.638 -2.197 -6.494 42 HA LEU 5 HA LEU 5 7.286 -0.725 -8.145 43 HB2 LEU 5 2HB LEU 5 8.528 -2.671 -8.488 44 HB3 LEU 5 3HB LEU 5 7.770 -2.894 -6.913 45 HG LEU 5 HG LEU 5 5.960 -4.158 -8.407 46 HD11 LEU 5 1HD1 LEU 5 6.661 -4.985 -10.384 47 HD12 LEU 5 2HD1 LEU 5 8.342 -5.106 -9.865 48 HD13 LEU 5 3HD1 LEU 5 7.687 -3.549 -10.373 49 HD21 LEU 5 3HD2 LEU 5 6.990 -5.218 -6.562 50 HD22 LEU 5 1HD2 LEU 5 8.572 -5.206 -7.342 51 HD23 LEU 5 2HD2 LEU 5 7.295 -6.257 -7.954 52 H ARG 6 H ARG 6 4.589 -2.807 -9.000 53 HA ARG 6 HA ARG 6 5.095 -2.783 -11.809 54 HB2 ARG 6 2HB ARG 6 2.984 -3.875 -12.040 55 HB3 ARG 6 3HB ARG 6 3.748 -4.521 -10.594 56 HG2 ARG 6 2HG ARG 6 1.687 -4.181 -9.742 57 HG3 ARG 6 3HG ARG 6 2.332 -2.562 -9.469 58 HD2 ARG 6 2HD ARG 6 0.484 -1.900 -10.566 59 HD3 ARG 6 3HD ARG 6 1.414 -2.322 -12.004 60 HE ARG 6 HE ARG 6 0.013 -4.102 -12.351 61 HH11 ARG 6 1HH1 ARG 6 -0.445 -2.889 -9.119 62 HH12 ARG 6 2HH1 ARG 6 -1.834 -3.876 -8.807 63 HH21 ARG 6 1HH2 ARG 6 -1.816 -5.406 -11.951 64 HH22 ARG 6 2HH2 ARG 6 -2.613 -5.307 -10.417 65 H PHE 7 H PHE 7 3.285 -0.766 -9.596 66 HA PHE 7 HA PHE 7 1.883 0.675 -11.638 67 HB2 PHE 7 2HB PHE 7 0.877 0.570 -9.464 68 HB3 PHE 7 3HB PHE 7 2.326 1.212 -8.698 69 HD1 PHE 7 HD2 PHE 7 0.049 2.222 -11.483 70 HD2 PHE 7 HD1 PHE 7 2.135 3.362 -7.953 71 HE1 PHE 7 HE2 PHE 7 -0.860 4.500 -11.685 72 HE2 PHE 7 HE1 PHE 7 1.230 5.641 -8.149 73 HZ PHE 7 HZ PHE 7 -0.269 6.213 -10.018 74 H VAL 8 H VAL 8 4.606 1.465 -9.483 75 HA VAL 8 HA VAL 8 5.137 3.998 -10.607 76 HB VAL 8 HB VAL 8 7.013 2.141 -9.136 77 HG11 VAL 8 1HG1 VAL 8 8.236 3.817 -10.411 78 HG12 VAL 8 2HG1 VAL 8 7.246 5.095 -9.704 79 HG13 VAL 8 3HG1 VAL 8 8.334 4.155 -8.683 80 HG21 VAL 8 3HG2 VAL 8 6.247 4.333 -7.550 81 HG22 VAL 8 1HG2 VAL 8 4.770 3.697 -8.273 82 HG23 VAL 8 2HG2 VAL 8 5.818 2.637 -7.330 83 H ALA 9 H ALA 9 6.184 0.761 -11.442 84 HA ALA 9 HA ALA 9 8.373 1.260 -13.044 85 HB1 ALA 9 3HB ALA 9 7.539 -0.781 -14.362 86 HB2 ALA 9 1HB ALA 9 7.893 -0.985 -12.646 87 HB3 ALA 9 2HB ALA 9 6.222 -0.822 -13.191 88 H GLY 10 H GLY 10 4.945 1.219 -14.026 89 HA2 GLY 10 2HA GLY 10 5.498 2.001 -16.714 90 HA3 GLY 10 3HA GLY 10 3.921 1.989 -15.940 91 H TYR 11 H TYR 11 4.898 3.746 -13.756 92 HA TYR 11 HA TYR 11 4.244 6.234 -14.989 93 HB2 TYR 11 2HB TYR 11 3.745 5.459 -12.580 94 HB3 TYR 11 3HB TYR 11 5.396 5.950 -12.222 95 HD1 TYR 11 HD2 TYR 11 6.019 8.394 -12.970 96 HD2 TYR 11 HD1 TYR 11 2.042 7.010 -12.359 97 HE1 TYR 11 HE2 TYR 11 5.265 10.715 -12.663 98 HE2 TYR 11 HE1 TYR 11 1.277 9.328 -12.051 99 HH TYR 11 HH TYR 11 1.881 11.533 -12.435 100 H ASP 12 H ASP 12 7.209 4.689 -13.945 101 HA ASP 12 HA ASP 12 8.893 6.948 -14.039 102 HB2 ASP 12 2HB ASP 12 9.344 4.596 -13.058 103 HB3 ASP 12 3HB ASP 12 9.830 4.167 -14.697 104 H ILE 13 H ILE 13 7.656 4.821 -16.505 105 HA ILE 13 HA ILE 13 9.469 5.867 -18.524 106 HB ILE 13 HB ILE 13 7.177 3.917 -18.798 107 HG12 ILE 13 2HG1 ILE 13 9.834 2.864 -19.257 108 HG13 ILE 13 3HG1 ILE 13 9.710 3.567 -17.648 109 HG21 ILE 13 1HG2 ILE 13 7.601 5.056 -20.887 110 HG22 ILE 13 2HG2 ILE 13 9.327 4.723 -20.751 111 HG23 ILE 13 3HG2 ILE 13 8.189 3.396 -20.986 112 HD11 ILE 13 3HD1 ILE 13 8.881 1.599 -17.039 113 HD12 ILE 13 1HD1 ILE 13 7.400 2.106 -17.851 114 HD13 ILE 13 2HD1 ILE 13 8.579 1.112 -18.707 115 H ALA 14 H ALA 14 5.992 5.891 -17.808 116 HA ALA 14 HA ALA 14 5.202 7.449 -20.013 117 HB1 ALA 14 3HB ALA 14 3.900 7.191 -17.305 118 HB2 ALA 14 1HB ALA 14 3.141 7.856 -18.752 119 HB3 ALA 14 2HB ALA 14 3.612 6.157 -18.704 120 H SER 15 H SER 15 6.314 8.318 -16.783 121 HA SER 15 HA SER 15 5.737 11.098 -17.031 122 HB2 SER 15 2HB SER 15 6.085 9.768 -14.869 123 HB3 SER 15 3HB SER 15 7.812 9.910 -15.193 124 HG SER 15 HG SER 15 7.623 11.766 -14.233 125 H HIS 16 H HIS 16 8.404 9.063 -17.934 126 HA HIS 16 HA HIS 16 10.247 11.245 -18.339 127 HB2 HIS 16 2HB HIS 16 11.111 9.056 -17.707 128 HB3 HIS 16 3HB HIS 16 10.398 8.333 -19.146 129 HD1 HIS 16 HD1 HIS 16 11.636 8.648 -21.368 130 HD2 HIS 16 HD2 HIS 16 13.451 10.562 -18.157 131 HE1 HIS 16 HE1 HIS 16 13.908 9.341 -22.195 132 H LYS 17 H LYS 17 8.006 9.371 -20.261 133 HA LYS 17 HA LYS 17 8.976 10.333 -22.786 134 HB2 LYS 17 2HB LYS 17 7.668 8.149 -22.272 135 HB3 LYS 17 3HB LYS 17 6.240 9.173 -22.353 136 HG2 LYS 17 2HG LYS 17 6.601 9.680 -24.619 137 HG3 LYS 17 3HG LYS 17 8.255 9.063 -24.575 138 HD2 LYS 17 2HD LYS 17 6.419 7.009 -23.767 139 HD3 LYS 17 3HD LYS 17 5.921 7.685 -25.320 140 HE2 LYS 17 2HE LYS 17 8.420 7.425 -25.953 141 HE3 LYS 17 3HE LYS 17 8.483 6.320 -24.581 142 HZ1 LYS 17 3HZ LYS 17 6.473 6.028 -26.733 143 HZ2 LYS 17 1HZ LYS 17 6.958 4.882 -25.587 144 HZ3 LYS 17 2HZ LYS 17 8.005 5.320 -26.840 145 H LYS 18 H LYS 18 5.931 10.855 -20.999 146 HA LYS 18 HA LYS 18 5.244 13.121 -22.634 147 HB2 LYS 18 2HB LYS 18 3.986 12.010 -20.120 148 HB3 LYS 18 3HB LYS 18 3.313 13.330 -21.069 149 HG2 LYS 18 2HG LYS 18 3.346 11.690 -23.032 150 HG3 LYS 18 3HG LYS 18 3.584 10.439 -21.809 151 HD2 LYS 18 2HD LYS 18 1.525 11.601 -20.670 152 HD3 LYS 18 3HD LYS 18 1.218 12.192 -22.306 153 HE2 LYS 18 2HE LYS 18 1.849 9.401 -22.395 154 HE3 LYS 18 3HE LYS 18 0.573 9.674 -21.210 155 HZ1 LYS 18 3HZ LYS 18 -0.647 9.460 -23.107 156 HZ2 LYS 18 1HZ LYS 18 0.547 10.121 -24.106 157 HZ3 LYS 18 2HZ LYS 18 -0.397 11.133 -23.134 158 H LYS 19 H LYS 19 5.894 12.726 -19.148 159 HA LYS 19 HA LYS 19 6.719 14.156 -17.582 160 HB2 LYS 19 2HB LYS 19 8.568 14.141 -19.424 161 HB3 LYS 19 3HB LYS 19 8.003 15.773 -19.758 162 HG2 LYS 19 2HG LYS 19 8.523 16.468 -17.516 163 HG3 LYS 19 3HG LYS 19 8.946 14.815 -17.063 164 HD2 LYS 19 2HD LYS 19 10.454 15.527 -19.369 165 HD3 LYS 19 3HD LYS 19 10.610 16.824 -18.182 166 HE2 LYS 19 2HE LYS 19 11.422 15.323 -16.529 167 HE3 LYS 19 3HE LYS 19 10.995 13.916 -17.502 168 HZ1 LYS 19 3HZ LYS 19 12.868 14.076 -18.693 169 HZ2 LYS 19 1HZ LYS 19 13.440 15.011 -17.404 170 HZ3 LYS 19 2HZ LYS 19 12.810 15.764 -18.782 171 H THR 20 H THR 20 4.722 15.033 -16.997 172 HA THR 20 HA THR 20 4.452 17.855 -17.569 173 HB THR 20 HB THR 20 3.125 17.097 -19.390 174 HG1 THR 20 HG1 THR 20 1.327 18.174 -18.870 175 HG21 THR 20 1HG2 THR 20 2.314 15.020 -19.373 176 HG22 THR 20 2HG2 THR 20 1.046 15.578 -18.282 177 HG23 THR 20 3HG2 THR 20 2.535 14.897 -17.628 178 H GLY 21 H GLY 21 2.974 18.936 -16.130 179 HA2 GLY 21 2HA GLY 21 1.266 18.256 -14.284 180 HA3 GLY 21 3HA GLY 21 2.683 17.468 -13.603 181 H GLY 22 H GLY 22 1.097 20.499 -14.228 182 HA2 GLY 22 2HA GLY 22 3.247 21.923 -12.801 183 HA3 GLY 22 3HA GLY 22 2.056 22.680 -13.849 184 H TYR 23 H TYR 23 0.185 23.420 -12.994 185 HA TYR 23 HA TYR 23 0.009 23.794 -10.207 186 HB2 TYR 23 2HB TYR 23 -1.783 24.337 -12.533 187 HB3 TYR 23 3HB TYR 23 -2.462 24.431 -10.911 188 HD1 TYR 23 HD2 TYR 23 -0.478 25.664 -9.289 189 HD2 TYR 23 HD1 TYR 23 -1.405 26.451 -13.366 190 HE1 TYR 23 HE2 TYR 23 0.411 27.944 -9.045 191 HE2 TYR 23 HE1 TYR 23 -0.516 28.733 -13.133 192 HH TYR 23 HH TYR 23 1.393 29.784 -11.292 193 HA PRO 24 HA PRO 24 -2.141 20.283 -8.693 194 HB2 PRO 24 2HB PRO 24 -3.862 21.381 -6.903 195 HB3 PRO 24 3HB PRO 24 -2.119 21.281 -6.624 196 HG2 PRO 24 2HG PRO 24 -3.755 23.599 -7.580 197 HG3 PRO 24 3HG PRO 24 -2.436 23.574 -6.395 198 HD2 PRO 24 2HD PRO 24 -2.077 24.373 -8.957 199 HD3 PRO 24 3HD PRO 24 -0.805 23.559 -8.024 200 H TRP 25 H TRP 25 -4.077 22.931 -9.937 201 HA TRP 25 HA TRP 25 -6.366 21.138 -10.310 202 HB2 TRP 25 2HB TRP 25 -7.538 23.283 -10.997 203 HB3 TRP 25 3HB TRP 25 -7.020 23.195 -9.316 204 HD1 TRP 25 HD1 TRP 25 -5.486 25.093 -8.459 205 HE1 TRP 25 HE1 TRP 25 -4.341 27.127 -9.542 206 HE3 TRP 25 HE3 TRP 25 -6.400 24.017 -13.372 207 HZ2 TRP 25 HZ2 TRP 25 -3.886 28.143 -12.136 208 HZ3 TRP 25 HZ3 TRP 25 -5.576 25.571 -15.093 209 HH2 TRP 25 HH2 TRP 25 -4.346 27.590 -14.486 210 H GLU 26 H GLU 26 -3.762 22.552 -12.002 211 HA GLU 26 HA GLU 26 -5.057 22.244 -14.603 212 HB2 GLU 26 2HB GLU 26 -3.366 24.151 -13.743 213 HB3 GLU 26 3HB GLU 26 -2.202 23.023 -14.421 214 HG2 GLU 26 2HG GLU 26 -4.550 23.692 -16.087 215 HG3 GLU 26 3HG GLU 26 -3.344 24.955 -15.845 216 H ARG 27 H ARG 27 -4.778 19.850 -13.295 217 HA ARG 27 HA ARG 27 -2.588 18.553 -14.782 218 HB2 ARG 27 2HB ARG 27 -2.846 18.588 -12.065 219 HB3 ARG 27 3HB ARG 27 -3.686 17.099 -12.472 220 HG2 ARG 27 2HG ARG 27 -1.716 16.282 -13.636 221 HG3 ARG 27 3HG ARG 27 -0.872 17.792 -13.288 222 HD2 ARG 27 2HD ARG 27 -0.121 16.247 -11.672 223 HD3 ARG 27 3HD ARG 27 -1.270 17.292 -10.840 224 HE ARG 27 HE ARG 27 -2.642 15.484 -10.531 225 HH11 ARG 27 1HH1 ARG 27 -0.235 14.704 -12.922 226 HH12 ARG 27 2HH1 ARG 27 -0.658 13.025 -12.989 227 HH21 ARG 27 1HH2 ARG 27 -3.207 13.276 -10.610 228 HH22 ARG 27 2HH2 ARG 27 -2.349 12.215 -11.674 229 H GLY 28 H GLY 28 -5.394 19.115 -15.574 230 HA2 GLY 28 2HA GLY 28 -6.535 16.416 -15.677 231 HA3 GLY 28 3HA GLY 28 -7.368 17.904 -16.100 232 H LYS 29 H LYS 29 -7.413 18.551 -18.183 233 HA LYS 29 HA LYS 29 -5.498 17.620 -20.113 234 HB2 LYS 29 2HB LYS 29 -6.998 16.360 -21.506 235 HB3 LYS 29 3HB LYS 29 -7.044 15.674 -19.888 236 HG2 LYS 29 2HG LYS 29 -9.098 17.254 -19.585 237 HG3 LYS 29 3HG LYS 29 -9.129 17.222 -21.350 238 HD2 LYS 29 2HD LYS 29 -10.222 15.288 -21.238 239 HD3 LYS 29 3HD LYS 29 -8.776 14.560 -20.535 240 HE2 LYS 29 2HE LYS 29 -9.687 15.584 -18.315 241 HE3 LYS 29 3HE LYS 29 -11.222 15.620 -19.182 242 HZ1 LYS 29 3HZ LYS 29 -9.874 13.410 -18.001 243 HZ2 LYS 29 1HZ LYS 29 -10.198 13.114 -19.636 244 HZ3 LYS 29 2HZ LYS 29 -11.460 13.511 -18.581 245 H ALA 30 H ALA 30 -5.637 18.717 -22.103 246 HA ALA 30 HA ALA 30 -7.757 20.418 -22.843 247 HB1 ALA 30 3HB ALA 30 -6.425 22.591 -22.471 248 HB2 ALA 30 1HB ALA 30 -7.284 21.886 -21.103 249 HB3 ALA 30 2HB ALA 30 -5.541 21.664 -21.259 Start of MODEL 15 1 H1 MET 1 H MET 1 1.173 -0.273 0.536 2 HA MET 1 HA MET 1 0.345 -1.626 -1.488 3 HB2 MET 1 2HB MET 1 1.174 1.025 -2.636 4 HB3 MET 1 3HB MET 1 1.238 -0.437 -3.611 5 HG2 MET 1 2HG MET 1 -1.232 -0.724 -2.817 6 HG3 MET 1 3HG MET 1 -1.122 1.009 -2.516 7 HE1 MET 1 3HE MET 1 -2.711 2.018 -5.574 8 HE2 MET 1 1HE MET 1 -2.565 2.005 -3.817 9 HE3 MET 1 2HE MET 1 -1.373 2.862 -4.793 10 H LYS 2 H LYS 2 1.807 -3.176 -1.195 11 HA LYS 2 HA LYS 2 4.626 -2.545 -0.938 12 HB2 LYS 2 2HB LYS 2 3.222 -4.341 0.366 13 HB3 LYS 2 3HB LYS 2 3.560 -5.342 -1.041 14 HG2 LYS 2 2HG LYS 2 5.387 -5.925 0.114 15 HG3 LYS 2 3HG LYS 2 6.034 -4.398 -0.489 16 HD2 LYS 2 2HD LYS 2 4.440 -4.333 2.017 17 HD3 LYS 2 3HD LYS 2 6.062 -5.026 2.093 18 HE2 LYS 2 2HE LYS 2 6.390 -2.708 0.612 19 HE3 LYS 2 3HE LYS 2 5.227 -2.254 1.858 20 HZ1 LYS 2 3HZ LYS 2 6.974 -2.010 3.185 21 HZ2 LYS 2 1HZ LYS 2 8.024 -2.764 2.094 22 HZ3 LYS 2 2HZ LYS 2 7.131 -3.695 3.188 23 H THR 3 H THR 3 2.439 -3.933 -3.280 24 HA THR 3 HA THR 3 4.666 -4.654 -5.038 25 HB THR 3 HB THR 3 2.850 -6.305 -4.751 26 HG1 THR 3 HG1 THR 3 4.064 -6.004 -6.794 27 HG21 THR 3 1HG2 THR 3 0.664 -5.846 -5.850 28 HG22 THR 3 2HG2 THR 3 1.156 -4.164 -6.041 29 HG23 THR 3 3HG2 THR 3 0.956 -4.847 -4.428 30 H ILE 4 H ILE 4 4.071 -1.873 -4.502 31 HA ILE 4 HA ILE 4 2.627 -0.735 -6.669 32 HB ILE 4 HB ILE 4 3.102 0.413 -4.484 33 HG12 ILE 4 2HG1 ILE 4 3.975 1.951 -6.938 34 HG13 ILE 4 3HG1 ILE 4 2.300 1.583 -6.543 35 HG21 ILE 4 1HG2 ILE 4 5.789 1.029 -5.688 36 HG22 ILE 4 2HG2 ILE 4 5.198 1.445 -4.081 37 HG23 ILE 4 3HG2 ILE 4 5.535 -0.237 -4.488 38 HD11 ILE 4 3HD1 ILE 4 4.160 3.531 -5.315 39 HD12 ILE 4 1HD1 ILE 4 2.442 3.677 -5.688 40 HD13 ILE 4 2HD1 ILE 4 2.963 2.762 -4.273 41 H LEU 5 H LEU 5 5.649 -2.203 -6.503 42 HA LEU 5 HA LEU 5 7.290 -0.723 -8.154 43 HB2 LEU 5 2HB LEU 5 8.537 -2.665 -8.503 44 HB3 LEU 5 3HB LEU 5 7.782 -2.893 -6.926 45 HG LEU 5 HG LEU 5 5.975 -4.160 -8.418 46 HD11 LEU 5 1HD1 LEU 5 8.230 -5.245 -9.889 47 HD12 LEU 5 2HD1 LEU 5 7.875 -3.574 -10.327 48 HD13 LEU 5 3HD1 LEU 5 6.617 -4.804 -10.449 49 HD21 LEU 5 3HD2 LEU 5 8.605 -5.273 -7.453 50 HD22 LEU 5 1HD2 LEU 5 7.211 -6.251 -7.912 51 HD23 LEU 5 2HD2 LEU 5 7.101 -5.149 -6.539 52 H ARG 6 H ARG 6 4.598 -2.811 -9.007 53 HA ARG 6 HA ARG 6 5.099 -2.782 -11.817 54 HB2 ARG 6 2HB ARG 6 2.998 -3.886 -12.047 55 HB3 ARG 6 3HB ARG 6 3.756 -4.522 -10.593 56 HG2 ARG 6 2HG ARG 6 1.707 -4.178 -9.730 57 HG3 ARG 6 3HG ARG 6 2.320 -2.537 -9.509 58 HD2 ARG 6 2HD ARG 6 0.308 -2.127 -10.545 59 HD3 ARG 6 3HD ARG 6 1.400 -2.183 -11.928 60 HE ARG 6 HE ARG 6 0.451 -4.758 -11.551 61 HH11 ARG 6 1HH1 ARG 6 -0.841 -1.619 -12.323 62 HH12 ARG 6 2HH1 ARG 6 -2.162 -2.247 -13.251 63 HH21 ARG 6 1HH2 ARG 6 -1.285 -5.597 -12.770 64 HH22 ARG 6 2HH2 ARG 6 -2.415 -4.510 -13.504 65 H PHE 7 H PHE 7 3.290 -0.772 -9.599 66 HA PHE 7 HA PHE 7 1.880 0.668 -11.636 67 HB2 PHE 7 2HB PHE 7 0.878 0.557 -9.460 68 HB3 PHE 7 3HB PHE 7 2.326 1.203 -8.697 69 HD1 PHE 7 HD1 PHE 7 0.049 2.210 -11.482 70 HD2 PHE 7 HD2 PHE 7 2.124 3.350 -7.945 71 HE1 PHE 7 HE1 PHE 7 -0.867 4.485 -11.683 72 HE2 PHE 7 HE2 PHE 7 1.210 5.627 -8.138 73 HZ PHE 7 HZ PHE 7 -0.287 6.196 -10.009 74 H VAL 8 H VAL 8 4.595 1.474 -9.476 75 HA VAL 8 HA VAL 8 5.120 4.006 -10.598 76 HB VAL 8 HB VAL 8 7.006 2.151 -9.137 77 HG11 VAL 8 1HG1 VAL 8 8.219 3.835 -10.410 78 HG12 VAL 8 2HG1 VAL 8 7.226 5.108 -9.696 79 HG13 VAL 8 3HG1 VAL 8 8.321 4.168 -8.680 80 HG21 VAL 8 3HG2 VAL 8 4.758 3.698 -8.263 81 HG22 VAL 8 1HG2 VAL 8 5.812 2.637 -7.328 82 HG23 VAL 8 2HG2 VAL 8 6.237 4.335 -7.541 83 H ALA 9 H ALA 9 6.177 0.774 -11.443 84 HA ALA 9 HA ALA 9 8.359 1.285 -13.050 85 HB1 ALA 9 3HB ALA 9 7.622 -0.765 -14.336 86 HB2 ALA 9 1HB ALA 9 7.814 -0.965 -12.594 87 HB3 ALA 9 2HB ALA 9 6.202 -0.795 -13.291 88 H GLY 10 H GLY 10 4.928 1.242 -14.017 89 HA2 GLY 10 2HA GLY 10 5.469 2.024 -16.709 90 HA3 GLY 10 3HA GLY 10 3.896 2.011 -15.927 91 H TYR 11 H TYR 11 4.883 3.768 -13.746 92 HA TYR 11 HA TYR 11 4.228 6.256 -14.980 93 HB2 TYR 11 2HB TYR 11 3.719 5.487 -12.575 94 HB3 TYR 11 3HB TYR 11 5.373 5.963 -12.211 95 HD1 TYR 11 HD1 TYR 11 6.018 8.404 -12.979 96 HD2 TYR 11 HD2 TYR 11 2.036 7.053 -12.325 97 HE1 TYR 11 HE1 TYR 11 5.285 10.731 -12.667 98 HE2 TYR 11 HE2 TYR 11 1.292 9.377 -12.015 99 HH TYR 11 HH TYR 11 2.911 11.971 -12.978 100 H ASP 12 H ASP 12 7.190 4.713 -13.921 101 HA ASP 12 HA ASP 12 8.876 6.969 -14.016 102 HB2 ASP 12 2HB ASP 12 9.309 4.595 -13.049 103 HB3 ASP 12 3HB ASP 12 9.836 4.203 -14.683 104 H ILE 13 H ILE 13 7.678 4.809 -16.481 105 HA ILE 13 HA ILE 13 9.484 5.867 -18.497 106 HB ILE 13 HB ILE 13 7.201 3.909 -18.775 107 HG12 ILE 13 2HG1 ILE 13 9.873 2.876 -19.216 108 HG13 ILE 13 3HG1 ILE 13 9.719 3.565 -17.604 109 HG21 ILE 13 1HG2 ILE 13 9.371 4.673 -20.723 110 HG22 ILE 13 2HG2 ILE 13 8.182 3.395 -20.961 111 HG23 ILE 13 3HG2 ILE 13 7.660 5.076 -20.861 112 HD11 ILE 13 3HD1 ILE 13 8.903 1.583 -17.024 113 HD12 ILE 13 1HD1 ILE 13 7.427 2.087 -17.847 114 HD13 ILE 13 2HD1 ILE 13 8.623 1.109 -18.699 115 H ALA 14 H ALA 14 6.003 5.877 -17.798 116 HA ALA 14 HA ALA 14 5.210 7.421 -20.008 117 HB1 ALA 14 3HB ALA 14 3.471 6.319 -18.940 118 HB2 ALA 14 1HB ALA 14 3.987 6.848 -17.338 119 HB3 ALA 14 2HB ALA 14 3.232 7.995 -18.446 120 H SER 15 H SER 15 6.313 8.324 -16.783 121 HA SER 15 HA SER 15 5.742 11.103 -17.072 122 HB2 SER 15 2HB SER 15 5.992 9.932 -14.872 123 HB3 SER 15 3HB SER 15 7.721 9.800 -15.189 124 HG SER 15 HG SER 15 6.186 12.151 -14.830 125 H HIS 16 H HIS 16 8.411 9.048 -17.926 126 HA HIS 16 HA HIS 16 10.254 11.229 -18.353 127 HB2 HIS 16 2HB HIS 16 10.776 8.744 -17.716 128 HB3 HIS 16 3HB HIS 16 10.667 8.471 -19.453 129 HD1 HIS 16 HD1 HIS 16 12.611 9.247 -20.887 130 HD2 HIS 16 HD2 HIS 16 12.948 10.405 -16.911 131 HE1 HIS 16 HE1 HIS 16 14.951 10.136 -20.641 132 H LYS 17 H LYS 17 8.065 9.273 -20.256 133 HA LYS 17 HA LYS 17 9.059 10.200 -22.790 134 HB2 LYS 17 2HB LYS 17 7.236 8.199 -21.867 135 HB3 LYS 17 3HB LYS 17 6.412 9.202 -23.053 136 HG2 LYS 17 2HG LYS 17 7.335 7.822 -24.545 137 HG3 LYS 17 3HG LYS 17 8.797 8.775 -24.281 138 HD2 LYS 17 2HD LYS 17 9.529 7.182 -22.575 139 HD3 LYS 17 3HD LYS 17 8.059 6.235 -22.823 140 HE2 LYS 17 2HE LYS 17 8.727 5.859 -25.163 141 HE3 LYS 17 3HE LYS 17 10.214 6.760 -24.869 142 HZ1 LYS 17 3HZ LYS 17 10.884 5.115 -23.263 143 HZ2 LYS 17 1HZ LYS 17 10.528 4.349 -24.729 144 HZ3 LYS 17 2HZ LYS 17 9.427 4.274 -23.448 145 H LYS 18 H LYS 18 5.984 10.686 -21.046 146 HA LYS 18 HA LYS 18 5.217 12.860 -22.757 147 HB2 LYS 18 2HB LYS 18 4.051 11.776 -20.191 148 HB3 LYS 18 3HB LYS 18 3.343 13.115 -21.085 149 HG2 LYS 18 2HG LYS 18 3.881 10.656 -22.626 150 HG3 LYS 18 3HG LYS 18 2.604 10.563 -21.409 151 HD2 LYS 18 2HD LYS 18 2.272 13.004 -22.806 152 HD3 LYS 18 3HD LYS 18 2.521 11.737 -24.009 153 HE2 LYS 18 2HE LYS 18 0.618 11.308 -21.742 154 HE3 LYS 18 3HE LYS 18 0.120 12.248 -23.148 155 HZ1 LYS 18 3HZ LYS 18 1.226 10.067 -24.274 156 HZ2 LYS 18 1HZ LYS 18 -0.430 10.267 -23.988 157 HZ3 LYS 18 2HZ LYS 18 0.520 9.405 -22.885 158 H LYS 19 H LYS 19 6.061 12.629 -19.300 159 HA LYS 19 HA LYS 19 6.870 14.161 -17.825 160 HB2 LYS 19 2HB LYS 19 8.753 14.118 -19.455 161 HB3 LYS 19 3HB LYS 19 8.015 15.474 -20.297 162 HG2 LYS 19 2HG LYS 19 8.754 16.964 -18.800 163 HG3 LYS 19 3HG LYS 19 8.415 15.907 -17.428 164 HD2 LYS 19 2HD LYS 19 10.525 15.162 -17.349 165 HD3 LYS 19 3HD LYS 19 10.605 14.949 -19.100 166 HE2 LYS 19 2HE LYS 19 10.586 17.743 -18.213 167 HE3 LYS 19 3HE LYS 19 11.991 16.820 -17.682 168 HZ1 LYS 19 3HZ LYS 19 11.932 16.082 -20.202 169 HZ2 LYS 19 1HZ LYS 19 12.728 17.488 -19.701 170 HZ3 LYS 19 2HZ LYS 19 11.183 17.588 -20.380 171 H THR 20 H THR 20 4.866 14.990 -17.194 172 HA THR 20 HA THR 20 4.486 17.779 -17.804 173 HB THR 20 HB THR 20 3.201 16.963 -19.639 174 HG1 THR 20 HG1 THR 20 1.526 18.172 -19.144 175 HG21 THR 20 1HG2 THR 20 2.982 14.631 -18.816 176 HG22 THR 20 2HG2 THR 20 1.471 15.288 -19.447 177 HG23 THR 20 3HG2 THR 20 1.725 15.174 -17.706 178 H GLY 21 H GLY 21 3.212 18.859 -16.276 179 HA2 GLY 21 2HA GLY 21 1.604 18.784 -14.455 180 HA3 GLY 21 3HA GLY 21 2.239 17.200 -14.037 181 H GLY 22 H GLY 22 2.768 20.649 -13.876 182 HA2 GLY 22 2HA GLY 22 3.834 21.808 -12.159 183 HA3 GLY 22 3HA GLY 22 4.420 20.278 -11.524 184 H TYR 23 H TYR 23 5.105 22.989 -13.532 185 HA TYR 23 HA TYR 23 7.344 21.973 -14.920 186 HB2 TYR 23 2HB TYR 23 6.297 24.698 -14.291 187 HB3 TYR 23 3HB TYR 23 7.944 24.550 -14.898 188 HD1 TYR 23 HD2 TYR 23 7.869 22.543 -16.912 189 HD2 TYR 23 HD1 TYR 23 4.891 25.430 -15.964 190 HE1 TYR 23 HE2 TYR 23 7.012 22.406 -19.214 191 HE2 TYR 23 HE1 TYR 23 4.025 25.300 -18.261 192 HH TYR 23 HH TYR 23 4.652 24.629 -20.431 193 HA PRO 24 HA PRO 24 10.600 21.967 -11.981 194 HB2 PRO 24 2HB PRO 24 12.689 22.925 -13.426 195 HB3 PRO 24 3HB PRO 24 12.003 21.316 -13.680 196 HG2 PRO 24 2HG PRO 24 11.529 23.842 -15.216 197 HG3 PRO 24 3HG PRO 24 11.781 22.195 -15.822 198 HD2 PRO 24 2HD PRO 24 9.325 23.318 -15.635 199 HD3 PRO 24 3HD PRO 24 9.598 21.578 -15.418 200 H TRP 25 H TRP 25 9.977 24.979 -13.671 201 HA TRP 25 HA TRP 25 11.355 26.490 -11.571 202 HB2 TRP 25 2HB TRP 25 10.897 28.453 -13.117 203 HB3 TRP 25 3HB TRP 25 11.994 27.224 -13.740 204 HD1 TRP 25 HD1 TRP 25 11.385 26.151 -16.013 205 HE1 TRP 25 HE1 TRP 25 9.389 26.335 -17.628 206 HE3 TRP 25 HE3 TRP 25 8.190 28.827 -13.053 207 HZ2 TRP 25 HZ2 TRP 25 6.803 27.464 -17.645 208 HZ3 TRP 25 HZ3 TRP 25 5.974 29.419 -13.943 209 HH2 TRP 25 HH2 TRP 25 5.297 28.751 -16.193 210 H GLU 26 H GLU 26 8.238 25.544 -12.592 211 HA GLU 26 HA GLU 26 6.920 27.713 -11.143 212 HB2 GLU 26 2HB GLU 26 6.231 26.533 -13.461 213 HB3 GLU 26 3HB GLU 26 5.329 25.518 -12.344 214 HG2 GLU 26 2HG GLU 26 5.106 28.452 -12.006 215 HG3 GLU 26 3HG GLU 26 4.315 27.724 -13.404 216 H ARG 27 H ARG 27 8.400 26.132 -9.477 217 HA ARG 27 HA ARG 27 6.436 24.374 -8.170 218 HB2 ARG 27 2HB ARG 27 8.826 23.592 -8.878 219 HB3 ARG 27 3HB ARG 27 9.341 24.454 -7.435 220 HG2 ARG 27 2HG ARG 27 7.658 23.068 -6.160 221 HG3 ARG 27 3HG ARG 27 7.501 22.089 -7.620 222 HD2 ARG 27 2HD ARG 27 9.315 20.944 -7.054 223 HD3 ARG 27 3HD ARG 27 10.267 22.428 -7.086 224 HE ARG 27 HE ARG 27 10.258 22.427 -4.803 225 HH11 ARG 27 1HH1 ARG 27 7.708 20.346 -5.936 226 HH12 ARG 27 2HH1 ARG 27 7.307 19.758 -4.357 227 HH21 ARG 27 1HH2 ARG 27 9.741 21.660 -2.717 228 HH22 ARG 27 2HH2 ARG 27 8.464 20.508 -2.526 229 H GLY 28 H GLY 28 6.554 27.333 -7.999 230 HA2 GLY 28 2HA GLY 28 5.695 27.943 -5.577 231 HA3 GLY 28 3HA GLY 28 7.414 27.789 -5.243 232 H LYS 29 H LYS 29 8.858 29.119 -6.699 233 HA LYS 29 HA LYS 29 8.154 31.834 -6.471 234 HB2 LYS 29 2HB LYS 29 10.379 30.392 -7.892 235 HB3 LYS 29 3HB LYS 29 10.211 32.139 -8.002 236 HG2 LYS 29 2HG LYS 29 10.033 31.462 -5.269 237 HG3 LYS 29 3HG LYS 29 11.404 30.578 -5.942 238 HD2 LYS 29 2HD LYS 29 10.981 33.516 -6.430 239 HD3 LYS 29 3HD LYS 29 11.874 32.908 -5.035 240 HE2 LYS 29 2HE LYS 29 13.420 31.748 -6.539 241 HE3 LYS 29 3HE LYS 29 12.527 32.361 -7.930 242 HZ1 LYS 29 3HZ LYS 29 14.118 33.913 -5.972 243 HZ2 LYS 29 1HZ LYS 29 13.043 34.640 -7.056 244 HZ3 LYS 29 2HZ LYS 29 14.372 33.773 -7.638 245 H ALA 30 H ALA 30 7.787 33.410 -8.095 246 HA ALA 30 HA ALA 30 6.565 32.308 -10.539 247 HB1 ALA 30 3HB ALA 30 5.160 34.338 -10.565 248 HB2 ALA 30 1HB ALA 30 4.923 33.361 -9.116 249 HB3 ALA 30 2HB ALA 30 5.889 34.834 -9.038 Start of MODEL 16 1 H1 MET 1 H MET 1 2.371 1.252 -0.543 2 HA MET 1 HA MET 1 1.164 -0.767 -0.829 3 HB2 MET 1 2HB MET 1 0.723 0.345 -3.317 4 HB3 MET 1 3HB MET 1 1.674 -1.086 -3.690 5 HG2 MET 1 2HG MET 1 0.081 -2.511 -2.641 6 HG3 MET 1 3HG MET 1 -0.800 -1.134 -1.985 7 HE1 MET 1 3HE MET 1 -2.661 0.363 -4.928 8 HE2 MET 1 1HE MET 1 -2.052 0.547 -3.284 9 HE3 MET 1 2HE MET 1 -0.998 0.886 -4.657 10 H LYS 2 H LYS 2 1.981 -2.919 -1.080 11 HA LYS 2 HA LYS 2 4.830 -3.051 -0.826 12 HB2 LYS 2 2HB LYS 2 2.563 -4.760 -0.272 13 HB3 LYS 2 3HB LYS 2 3.845 -5.665 -1.066 14 HG2 LYS 2 2HG LYS 2 4.136 -4.023 1.442 15 HG3 LYS 2 3HG LYS 2 4.045 -5.784 1.353 16 HD2 LYS 2 2HD LYS 2 6.074 -5.528 -0.263 17 HD3 LYS 2 3HD LYS 2 6.251 -3.950 0.508 18 HE2 LYS 2 2HE LYS 2 7.241 -4.896 2.255 19 HE3 LYS 2 3HE LYS 2 5.825 -5.909 2.530 20 HZ1 LYS 2 3HZ LYS 2 7.900 -7.176 2.194 21 HZ2 LYS 2 1HZ LYS 2 8.001 -6.564 0.620 22 HZ3 LYS 2 2HZ LYS 2 6.705 -7.557 1.059 23 H THR 3 H THR 3 2.506 -3.734 -3.337 24 HA THR 3 HA THR 3 4.688 -4.686 -5.075 25 HB THR 3 HB THR 3 2.811 -6.296 -4.728 26 HG1 THR 3 HG1 THR 3 4.101 -5.894 -6.817 27 HG21 THR 3 1HG2 THR 3 1.045 -4.768 -6.533 28 HG22 THR 3 2HG2 THR 3 1.165 -4.161 -4.882 29 HG23 THR 3 3HG2 THR 3 0.644 -5.820 -5.176 30 H ILE 4 H ILE 4 4.080 -1.898 -4.505 31 HA ILE 4 HA ILE 4 2.636 -0.750 -6.664 32 HB ILE 4 HB ILE 4 3.119 0.387 -4.475 33 HG12 ILE 4 2HG1 ILE 4 3.984 1.938 -6.924 34 HG13 ILE 4 3HG1 ILE 4 2.310 1.568 -6.526 35 HG21 ILE 4 1HG2 ILE 4 5.801 1.010 -5.686 36 HG22 ILE 4 2HG2 ILE 4 5.217 1.417 -4.075 37 HG23 ILE 4 3HG2 ILE 4 5.553 -0.263 -4.491 38 HD11 ILE 4 3HD1 ILE 4 2.189 3.197 -5.006 39 HD12 ILE 4 1HD1 ILE 4 3.799 2.863 -4.370 40 HD13 ILE 4 2HD1 ILE 4 3.610 3.839 -5.827 41 H LEU 5 H LEU 5 5.659 -2.218 -6.518 42 HA LEU 5 HA LEU 5 7.293 -0.729 -8.167 43 HB2 LEU 5 2HB LEU 5 8.539 -2.670 -8.530 44 HB3 LEU 5 3HB LEU 5 7.791 -2.906 -6.953 45 HG LEU 5 HG LEU 5 5.977 -4.165 -8.443 46 HD11 LEU 5 1HD1 LEU 5 7.879 -3.572 -10.354 47 HD12 LEU 5 2HD1 LEU 5 6.610 -4.790 -10.484 48 HD13 LEU 5 3HD1 LEU 5 8.219 -5.250 -9.930 49 HD21 LEU 5 3HD2 LEU 5 7.101 -5.172 -6.578 50 HD22 LEU 5 1HD2 LEU 5 8.610 -5.275 -7.485 51 HD23 LEU 5 2HD2 LEU 5 7.226 -6.261 -7.961 52 H ARG 6 H ARG 6 4.598 -2.814 -9.021 53 HA ARG 6 HA ARG 6 5.088 -2.770 -11.832 54 HB2 ARG 6 2HB ARG 6 2.998 -3.883 -12.060 55 HB3 ARG 6 3HB ARG 6 3.745 -4.511 -10.598 56 HG2 ARG 6 2HG ARG 6 1.671 -4.171 -9.778 57 HG3 ARG 6 3HG ARG 6 2.308 -2.547 -9.511 58 HD2 ARG 6 2HD ARG 6 0.407 -1.970 -10.604 59 HD3 ARG 6 3HD ARG 6 1.432 -2.242 -12.012 60 HE ARG 6 HE ARG 6 0.256 -4.672 -11.413 61 HH11 ARG 6 1HH1 ARG 6 -0.779 -1.481 -12.340 62 HH12 ARG 6 2HH1 ARG 6 -2.201 -2.038 -13.160 63 HH21 ARG 6 1HH2 ARG 6 -1.611 -5.419 -12.489 64 HH22 ARG 6 2HH2 ARG 6 -2.674 -4.278 -13.243 65 H PHE 7 H PHE 7 3.287 -0.771 -9.596 66 HA PHE 7 HA PHE 7 1.870 0.680 -11.621 67 HB2 PHE 7 2HB PHE 7 0.876 0.558 -9.442 68 HB3 PHE 7 3HB PHE 7 2.328 1.199 -8.681 69 HD1 PHE 7 HD2 PHE 7 0.038 2.222 -11.451 70 HD2 PHE 7 HD1 PHE 7 2.129 3.342 -7.917 71 HE1 PHE 7 HE2 PHE 7 -0.878 4.498 -11.634 72 HE2 PHE 7 HE1 PHE 7 1.216 5.620 -8.094 73 HZ PHE 7 HZ PHE 7 -0.289 6.201 -9.955 74 H VAL 8 H VAL 8 4.594 1.474 -9.468 75 HA VAL 8 HA VAL 8 5.116 4.010 -10.579 76 HB VAL 8 HB VAL 8 7.007 2.147 -9.135 77 HG11 VAL 8 1HG1 VAL 8 8.216 3.838 -10.402 78 HG12 VAL 8 2HG1 VAL 8 7.226 5.107 -9.678 79 HG13 VAL 8 3HG1 VAL 8 8.323 4.161 -8.672 80 HG21 VAL 8 3HG2 VAL 8 6.242 4.324 -7.526 81 HG22 VAL 8 1HG2 VAL 8 4.762 3.688 -8.244 82 HG23 VAL 8 2HG2 VAL 8 5.820 2.625 -7.317 83 H ALA 9 H ALA 9 6.167 0.783 -11.444 84 HA ALA 9 HA ALA 9 8.345 1.303 -13.056 85 HB1 ALA 9 3HB ALA 9 6.186 -0.777 -13.292 86 HB2 ALA 9 1HB ALA 9 7.594 -0.739 -14.355 87 HB3 ALA 9 2HB ALA 9 7.807 -0.950 -12.616 88 H GLY 10 H GLY 10 4.910 1.264 -14.011 89 HA2 GLY 10 2HA GLY 10 5.442 2.061 -16.701 90 HA3 GLY 10 3HA GLY 10 3.870 2.044 -15.913 91 H TYR 11 H TYR 11 4.866 3.790 -13.728 92 HA TYR 11 HA TYR 11 4.206 6.285 -14.944 93 HB2 TYR 11 2HB TYR 11 3.700 5.511 -12.545 94 HB3 TYR 11 3HB TYR 11 5.361 5.964 -12.181 95 HD1 TYR 11 HD1 TYR 11 6.029 8.404 -12.935 96 HD2 TYR 11 HD2 TYR 11 2.037 7.093 -12.272 97 HE1 TYR 11 HE1 TYR 11 5.325 10.737 -12.602 98 HE2 TYR 11 HE2 TYR 11 1.320 9.422 -11.939 99 HH TYR 11 HH TYR 11 1.955 11.613 -12.298 100 H ASP 12 H ASP 12 7.173 4.735 -13.908 101 HA ASP 12 HA ASP 12 8.857 6.995 -14.003 102 HB2 ASP 12 2HB ASP 12 9.297 4.620 -13.042 103 HB3 ASP 12 3HB ASP 12 9.814 4.228 -14.679 104 H ILE 13 H ILE 13 7.735 4.764 -16.465 105 HA ILE 13 HA ILE 13 9.504 5.853 -18.484 106 HB ILE 13 HB ILE 13 7.227 3.887 -18.759 107 HG12 ILE 13 2HG1 ILE 13 9.901 2.859 -19.195 108 HG13 ILE 13 3HG1 ILE 13 9.748 3.555 -17.585 109 HG21 ILE 13 1HG2 ILE 13 9.395 4.665 -20.705 110 HG22 ILE 13 2HG2 ILE 13 8.224 3.368 -20.941 111 HG23 ILE 13 3HG2 ILE 13 7.678 5.042 -20.848 112 HD11 ILE 13 3HD1 ILE 13 8.693 1.080 -18.650 113 HD12 ILE 13 1HD1 ILE 13 8.904 1.596 -16.977 114 HD13 ILE 13 2HD1 ILE 13 7.452 2.056 -17.866 115 H ALA 14 H ALA 14 6.014 5.830 -17.813 116 HA ALA 14 HA ALA 14 5.208 7.360 -20.015 117 HB1 ALA 14 3HB ALA 14 3.998 6.902 -17.307 118 HB2 ALA 14 1HB ALA 14 3.224 7.934 -18.511 119 HB3 ALA 14 2HB ALA 14 3.512 6.230 -18.864 120 H SER 15 H SER 15 6.304 8.316 -16.797 121 HA SER 15 HA SER 15 5.753 11.091 -17.145 122 HB2 SER 15 2HB SER 15 6.897 11.415 -15.066 123 HB3 SER 15 3HB SER 15 6.004 9.901 -14.927 124 HG SER 15 HG SER 15 7.858 9.053 -14.449 125 H HIS 16 H HIS 16 8.437 9.007 -17.899 126 HA HIS 16 HA HIS 16 10.332 11.122 -18.311 127 HB2 HIS 16 2HB HIS 16 10.866 8.690 -17.744 128 HB3 HIS 16 3HB HIS 16 10.517 8.328 -19.431 129 HD1 HIS 16 HD1 HIS 16 13.265 9.026 -17.315 130 HD2 HIS 16 HD2 HIS 16 12.227 10.150 -21.177 131 HE1 HIS 16 HE1 HIS 16 15.411 9.763 -18.400 132 H LYS 17 H LYS 17 8.104 9.291 -20.315 133 HA LYS 17 HA LYS 17 9.106 10.350 -22.791 134 HB2 LYS 17 2HB LYS 17 7.091 8.417 -21.947 135 HB3 LYS 17 3HB LYS 17 6.542 9.413 -23.289 136 HG2 LYS 17 2HG LYS 17 8.131 8.597 -24.727 137 HG3 LYS 17 3HG LYS 17 9.245 8.169 -23.425 138 HD2 LYS 17 2HD LYS 17 8.386 6.135 -24.318 139 HD3 LYS 17 3HD LYS 17 7.616 6.382 -22.749 140 HE2 LYS 17 2HE LYS 17 5.686 6.037 -23.820 141 HE3 LYS 17 3HE LYS 17 5.905 7.657 -24.481 142 HZ1 LYS 17 3HZ LYS 17 5.541 6.315 -26.328 143 HZ2 LYS 17 1HZ LYS 17 6.518 5.060 -25.748 144 HZ3 LYS 17 2HZ LYS 17 7.222 6.495 -26.303 145 H LYS 18 H LYS 18 6.002 10.746 -21.071 146 HA LYS 18 HA LYS 18 5.217 12.981 -22.656 147 HB2 LYS 18 2HB LYS 18 4.138 11.504 -20.328 148 HB3 LYS 18 3HB LYS 18 3.626 13.180 -20.479 149 HG2 LYS 18 2HG LYS 18 3.466 11.458 -22.890 150 HG3 LYS 18 3HG LYS 18 2.290 11.200 -21.600 151 HD2 LYS 18 2HD LYS 18 2.206 13.889 -21.794 152 HD3 LYS 18 3HD LYS 18 2.598 13.466 -23.463 153 HE2 LYS 18 2HE LYS 18 0.477 12.920 -23.825 154 HE3 LYS 18 3HE LYS 18 0.573 11.693 -22.562 155 HZ1 LYS 18 3HZ LYS 18 -1.195 13.428 -22.271 156 HZ2 LYS 18 1HZ LYS 18 0.039 14.550 -21.985 157 HZ3 LYS 18 2HZ LYS 18 -0.158 13.227 -20.949 158 H LYS 19 H LYS 19 6.164 12.716 -19.226 159 HA LYS 19 HA LYS 19 7.059 14.220 -17.774 160 HB2 LYS 19 2HB LYS 19 8.781 14.165 -19.712 161 HB3 LYS 19 3HB LYS 19 8.139 15.750 -20.123 162 HG2 LYS 19 2HG LYS 19 8.695 16.527 -17.845 163 HG3 LYS 19 3HG LYS 19 9.430 14.954 -17.522 164 HD2 LYS 19 2HD LYS 19 10.945 15.350 -19.471 165 HD3 LYS 19 3HD LYS 19 10.287 16.985 -19.582 166 HE2 LYS 19 2HE LYS 19 11.955 17.543 -18.197 167 HE3 LYS 19 3HE LYS 19 10.953 16.820 -16.940 168 HZ1 LYS 19 3HZ LYS 19 12.131 14.768 -17.162 169 HZ2 LYS 19 1HZ LYS 19 13.267 16.003 -16.956 170 HZ3 LYS 19 2HZ LYS 19 13.007 15.342 -18.490 171 H THR 20 H THR 20 5.087 15.077 -17.074 172 HA THR 20 HA THR 20 4.750 17.878 -17.598 173 HB THR 20 HB THR 20 3.468 17.147 -19.480 174 HG1 THR 20 HG1 THR 20 1.252 17.719 -18.617 175 HG21 THR 20 1HG2 THR 20 3.110 14.828 -18.893 176 HG22 THR 20 2HG2 THR 20 1.552 15.589 -19.219 177 HG23 THR 20 3HG2 THR 20 2.059 15.294 -17.557 178 H GLY 21 H GLY 21 3.482 18.923 -16.039 179 HA2 GLY 21 2HA GLY 21 1.700 18.473 -14.282 180 HA3 GLY 21 3HA GLY 21 2.796 17.214 -13.732 181 H GLY 22 H GLY 22 1.887 20.436 -13.398 182 HA2 GLY 22 2HA GLY 22 4.219 20.912 -11.667 183 HA3 GLY 22 3HA GLY 22 3.756 22.131 -12.845 184 H TYR 23 H TYR 23 2.318 23.631 -12.258 185 HA TYR 23 HA TYR 23 1.453 23.827 -9.583 186 HB2 TYR 23 2HB TYR 23 0.920 25.348 -12.097 187 HB3 TYR 23 3HB TYR 23 -0.122 25.634 -10.708 188 HD1 TYR 23 HD2 TYR 23 1.572 25.623 -8.426 189 HD2 TYR 23 HD1 TYR 23 2.433 27.070 -12.332 190 HE1 TYR 23 HE2 TYR 23 3.245 27.159 -7.481 191 HE2 TYR 23 HE1 TYR 23 4.109 28.610 -11.400 192 HH TYR 23 HH TYR 23 5.580 28.418 -8.876 193 HA PRO 24 HA PRO 24 -2.377 21.694 -9.433 194 HB2 PRO 24 2HB PRO 24 -3.905 23.348 -7.917 195 HB3 PRO 24 3HB PRO 24 -2.571 22.396 -7.254 196 HG2 PRO 24 2HG PRO 24 -2.625 25.282 -8.049 197 HG3 PRO 24 3HG PRO 24 -1.901 24.529 -6.615 198 HD2 PRO 24 2HD PRO 24 -0.440 25.247 -8.779 199 HD3 PRO 24 3HD PRO 24 -0.022 23.850 -7.765 200 H TRP 25 H TRP 25 -2.446 25.035 -10.502 201 HA TRP 25 HA TRP 25 -5.043 24.612 -11.795 202 HB2 TRP 25 2HB TRP 25 -4.866 27.101 -12.263 203 HB3 TRP 25 3HB TRP 25 -4.999 26.646 -10.567 204 HD1 TRP 25 HD1 TRP 25 -3.146 27.494 -8.975 205 HE1 TRP 25 HE1 TRP 25 -0.945 28.793 -9.284 206 HE3 TRP 25 HE3 TRP 25 -2.836 27.363 -14.077 207 HZ2 TRP 25 HZ2 TRP 25 0.704 29.648 -11.409 208 HZ3 TRP 25 HZ3 TRP 25 -0.916 28.446 -15.170 209 HH2 TRP 25 HH2 TRP 25 0.816 29.565 -13.862 210 H GLU 26 H GLU 26 -1.699 24.701 -12.462 211 HA GLU 26 HA GLU 26 -2.099 25.266 -15.300 212 HB2 GLU 26 2HB GLU 26 -0.112 26.042 -13.675 213 HB3 GLU 26 3HB GLU 26 0.580 24.532 -14.252 214 HG2 GLU 26 2HG GLU 26 -0.536 26.176 -16.382 215 HG3 GLU 26 3HG GLU 26 0.768 26.963 -15.493 216 H ARG 27 H ARG 27 -3.296 22.910 -14.383 217 HA ARG 27 HA ARG 27 -1.608 20.858 -15.659 218 HB2 ARG 27 2HB ARG 27 -2.732 19.185 -14.261 219 HB3 ARG 27 3HB ARG 27 -1.906 20.389 -13.281 220 HG2 ARG 27 2HG ARG 27 -3.789 20.731 -12.173 221 HG3 ARG 27 3HG ARG 27 -4.531 21.326 -13.659 222 HD2 ARG 27 2HD ARG 27 -5.970 19.624 -13.234 223 HD3 ARG 27 3HD ARG 27 -4.747 18.710 -14.114 224 HE ARG 27 HE ARG 27 -4.032 18.660 -11.432 225 HH11 ARG 27 1HH1 ARG 27 -6.651 17.552 -13.440 226 HH12 ARG 27 2HH1 ARG 27 -7.023 16.194 -12.430 227 HH21 ARG 27 1HH2 ARG 27 -4.512 16.876 -10.095 228 HH22 ARG 27 2HH2 ARG 27 -5.807 15.811 -10.527 229 H GLY 28 H GLY 28 -3.373 22.623 -17.047 230 HA2 GLY 28 2HA GLY 28 -4.680 22.202 -18.952 231 HA3 GLY 28 3HA GLY 28 -5.071 20.615 -18.305 232 H LYS 29 H LYS 29 -6.107 23.825 -18.706 233 HA LYS 29 HA LYS 29 -8.636 23.185 -17.412 234 HB2 LYS 29 2HB LYS 29 -6.770 24.684 -16.035 235 HB3 LYS 29 3HB LYS 29 -7.787 25.911 -16.776 236 HG2 LYS 29 2HG LYS 29 -9.757 24.934 -15.757 237 HG3 LYS 29 3HG LYS 29 -8.777 23.640 -15.064 238 HD2 LYS 29 2HD LYS 29 -8.828 25.031 -13.264 239 HD3 LYS 29 3HD LYS 29 -7.432 25.725 -14.093 240 HE2 LYS 29 2HE LYS 29 -8.585 27.585 -14.762 241 HE3 LYS 29 3HE LYS 29 -10.135 26.747 -14.797 242 HZ1 LYS 29 3HZ LYS 29 -9.080 28.351 -12.762 243 HZ2 LYS 29 1HZ LYS 29 -9.211 26.776 -12.157 244 HZ3 LYS 29 2HZ LYS 29 -10.570 27.552 -12.799 245 H ALA 30 H ALA 30 -10.164 23.614 -18.849 246 HA ALA 30 HA ALA 30 -9.652 25.416 -21.057 247 HB1 ALA 30 3HB ALA 30 -11.571 24.523 -22.068 248 HB2 ALA 30 1HB ALA 30 -10.834 23.163 -21.221 249 HB3 ALA 30 2HB ALA 30 -12.235 23.979 -20.528 Start of MODEL 17 1 H1 MET 1 H MET 1 2.590 -0.336 1.020 2 HA MET 1 HA MET 1 2.994 -0.313 -1.340 3 HB2 MET 1 2HB MET 1 5.409 -0.307 -2.096 4 HB3 MET 1 3HB MET 1 4.830 1.191 -1.378 5 HG2 MET 1 2HG MET 1 6.366 1.118 0.215 6 HG3 MET 1 3HG MET 1 5.965 -0.549 0.619 7 HE1 MET 1 3HE MET 1 8.938 1.575 -0.380 8 HE2 MET 1 1HE MET 1 9.359 0.993 -1.991 9 HE3 MET 1 2HE MET 1 7.821 1.815 -1.724 10 H LYS 2 H LYS 2 2.172 -2.355 -1.388 11 HA LYS 2 HA LYS 2 3.758 -4.598 -0.445 12 HB2 LYS 2 2HB LYS 2 0.974 -4.322 -1.554 13 HB3 LYS 2 3HB LYS 2 1.719 -5.900 -1.334 14 HG2 LYS 2 2HG LYS 2 2.033 -4.383 1.061 15 HG3 LYS 2 3HG LYS 2 0.341 -4.342 0.562 16 HD2 LYS 2 2HD LYS 2 0.879 -6.950 0.169 17 HD3 LYS 2 3HD LYS 2 1.998 -6.606 1.489 18 HE2 LYS 2 2HE LYS 2 0.134 -5.689 2.804 19 HE3 LYS 2 3HE LYS 2 -0.973 -6.074 1.487 20 HZ1 LYS 2 3HZ LYS 2 -1.244 -7.966 2.635 21 HZ2 LYS 2 1HZ LYS 2 0.222 -7.816 3.467 22 HZ3 LYS 2 2HZ LYS 2 0.202 -8.438 1.895 23 H THR 3 H THR 3 2.571 -3.274 -3.494 24 HA THR 3 HA THR 3 4.698 -4.576 -4.934 25 HB THR 3 HB THR 3 3.028 -6.382 -4.877 26 HG1 THR 3 HG1 THR 3 4.322 -6.183 -6.745 27 HG21 THR 3 1HG2 THR 3 0.860 -5.866 -4.952 28 HG22 THR 3 2HG2 THR 3 1.065 -5.473 -6.660 29 HG23 THR 3 3HG2 THR 3 1.223 -4.211 -5.440 30 H ILE 4 H ILE 4 4.080 -1.882 -4.496 31 HA ILE 4 HA ILE 4 2.636 -0.739 -6.661 32 HB ILE 4 HB ILE 4 3.115 0.405 -4.474 33 HG12 ILE 4 2HG1 ILE 4 3.989 1.947 -6.925 34 HG13 ILE 4 3HG1 ILE 4 2.313 1.579 -6.532 35 HG21 ILE 4 1HG2 ILE 4 5.547 -0.250 -4.483 36 HG22 ILE 4 2HG2 ILE 4 5.801 1.019 -5.680 37 HG23 ILE 4 3HG2 ILE 4 5.213 1.431 -4.069 38 HD11 ILE 4 3HD1 ILE 4 2.184 3.264 -5.092 39 HD12 ILE 4 1HD1 ILE 4 3.723 2.849 -4.336 40 HD13 ILE 4 2HD1 ILE 4 3.695 3.832 -5.801 41 H LEU 5 H LEU 5 5.656 -2.212 -6.500 42 HA LEU 5 HA LEU 5 7.299 -0.731 -8.149 43 HB2 LEU 5 2HB LEU 5 8.542 -2.674 -8.503 44 HB3 LEU 5 3HB LEU 5 7.787 -2.905 -6.927 45 HG LEU 5 HG LEU 5 5.977 -4.165 -8.421 46 HD11 LEU 5 1HD1 LEU 5 7.639 -3.545 -10.406 47 HD12 LEU 5 2HD1 LEU 5 6.698 -5.036 -10.385 48 HD13 LEU 5 3HD1 LEU 5 8.389 -5.055 -9.888 49 HD21 LEU 5 3HD2 LEU 5 7.517 -6.246 -8.059 50 HD22 LEU 5 1HD2 LEU 5 6.870 -5.367 -6.674 51 HD23 LEU 5 2HD2 LEU 5 8.533 -5.094 -7.192 52 H ARG 6 H ARG 6 4.602 -2.814 -9.004 53 HA ARG 6 HA ARG 6 5.101 -2.780 -11.814 54 HB2 ARG 6 2HB ARG 6 2.980 -3.862 -12.043 55 HB3 ARG 6 3HB ARG 6 3.761 -4.526 -10.615 56 HG2 ARG 6 2HG ARG 6 1.725 -4.193 -9.715 57 HG3 ARG 6 3HG ARG 6 2.354 -2.563 -9.464 58 HD2 ARG 6 2HD ARG 6 0.370 -2.058 -10.472 59 HD3 ARG 6 3HD ARG 6 1.398 -2.200 -11.897 60 HE ARG 6 HE ARG 6 0.125 -3.968 -12.554 61 HH11 ARG 6 1HH1 ARG 6 -0.227 -3.577 -9.113 62 HH12 ARG 6 2HH1 ARG 6 -1.420 -4.825 -8.961 63 HH21 ARG 6 1HH2 ARG 6 -1.444 -5.613 -12.367 64 HH22 ARG 6 2HH2 ARG 6 -2.110 -5.983 -10.813 65 H PHE 7 H PHE 7 3.297 -0.770 -9.592 66 HA PHE 7 HA PHE 7 1.889 0.677 -11.626 67 HB2 PHE 7 2HB PHE 7 0.887 0.564 -9.450 68 HB3 PHE 7 3HB PHE 7 2.338 1.205 -8.686 69 HD1 PHE 7 HD2 PHE 7 0.063 2.225 -11.468 70 HD2 PHE 7 HD1 PHE 7 2.141 3.350 -7.928 71 HE1 PHE 7 HE2 PHE 7 -0.847 4.503 -11.662 72 HE2 PHE 7 HE1 PHE 7 1.232 5.629 -8.114 73 HZ PHE 7 HZ PHE 7 -0.262 6.209 -9.984 74 H VAL 8 H VAL 8 4.606 1.475 -9.464 75 HA VAL 8 HA VAL 8 5.136 4.006 -10.581 76 HB VAL 8 HB VAL 8 7.020 2.144 -9.127 77 HG11 VAL 8 1HG1 VAL 8 8.338 4.158 -8.665 78 HG12 VAL 8 2HG1 VAL 8 8.235 3.831 -10.396 79 HG13 VAL 8 3HG1 VAL 8 7.246 5.102 -9.677 80 HG21 VAL 8 3HG2 VAL 8 6.255 4.325 -7.525 81 HG22 VAL 8 1HG2 VAL 8 4.776 3.692 -8.247 82 HG23 VAL 8 2HG2 VAL 8 5.828 2.627 -7.314 83 H ALA 9 H ALA 9 6.187 0.774 -11.434 84 HA ALA 9 HA ALA 9 8.369 1.286 -13.042 85 HB1 ALA 9 3HB ALA 9 7.623 -0.760 -14.333 86 HB2 ALA 9 1HB ALA 9 7.823 -0.964 -12.592 87 HB3 ALA 9 2HB ALA 9 6.208 -0.790 -13.281 88 H GLY 10 H GLY 10 4.937 1.249 -14.006 89 HA2 GLY 10 2HA GLY 10 5.475 2.037 -16.696 90 HA3 GLY 10 3HA GLY 10 3.902 2.023 -15.913 91 H TYR 11 H TYR 11 4.895 3.775 -13.730 92 HA TYR 11 HA TYR 11 4.237 6.266 -14.953 93 HB2 TYR 11 2HB TYR 11 3.743 5.494 -12.547 94 HB3 TYR 11 3HB TYR 11 5.402 5.964 -12.194 95 HD1 TYR 11 HD2 TYR 11 6.045 8.405 -12.959 96 HD2 TYR 11 HD1 TYR 11 2.065 7.062 -12.282 97 HE1 TYR 11 HE2 TYR 11 5.321 10.734 -12.636 98 HE2 TYR 11 HE1 TYR 11 1.329 9.387 -11.959 99 HH TYR 11 HH TYR 11 2.044 11.513 -11.614 100 H ASP 12 H ASP 12 7.205 4.713 -13.935 101 HA ASP 12 HA ASP 12 8.891 6.973 -14.034 102 HB2 ASP 12 2HB ASP 12 9.357 4.634 -13.048 103 HB3 ASP 12 3HB ASP 12 9.805 4.181 -14.691 104 H ILE 13 H ILE 13 7.692 4.798 -16.493 105 HA ILE 13 HA ILE 13 9.475 5.866 -18.521 106 HB ILE 13 HB ILE 13 7.193 3.903 -18.783 107 HG12 ILE 13 2HG1 ILE 13 9.851 2.859 -19.250 108 HG13 ILE 13 3HG1 ILE 13 9.737 3.571 -17.644 109 HG21 ILE 13 1HG2 ILE 13 7.641 5.078 -20.869 110 HG22 ILE 13 2HG2 ILE 13 9.350 4.667 -20.747 111 HG23 ILE 13 3HG2 ILE 13 8.152 3.394 -20.976 112 HD11 ILE 13 3HD1 ILE 13 8.628 1.099 -18.669 113 HD12 ILE 13 1HD1 ILE 13 8.901 1.618 -17.005 114 HD13 ILE 13 2HD1 ILE 13 7.426 2.094 -17.847 115 H ALA 14 H ALA 14 5.998 5.869 -17.797 116 HA ALA 14 HA ALA 14 5.182 7.406 -20.001 117 HB1 ALA 14 3HB ALA 14 3.276 8.028 -18.269 118 HB2 ALA 14 1HB ALA 14 3.387 6.425 -18.999 119 HB3 ALA 14 2HB ALA 14 4.005 6.698 -17.369 120 H SER 15 H SER 15 6.313 8.327 -16.788 121 HA SER 15 HA SER 15 5.747 11.104 -17.092 122 HB2 SER 15 2HB SER 15 5.934 10.157 -14.869 123 HB3 SER 15 3HB SER 15 7.590 9.642 -15.187 124 HG SER 15 HG SER 15 7.839 11.525 -14.143 125 H HIS 16 H HIS 16 8.408 9.038 -17.942 126 HA HIS 16 HA HIS 16 10.287 11.175 -18.357 127 HB2 HIS 16 2HB HIS 16 10.932 8.817 -17.767 128 HB3 HIS 16 3HB HIS 16 10.444 8.340 -19.391 129 HD1 HIS 16 HD1 HIS 16 11.853 9.489 -21.380 130 HD2 HIS 16 HD2 HIS 16 13.483 9.762 -17.568 131 HE1 HIS 16 HE1 HIS 16 14.270 10.092 -21.724 132 H LYS 17 H LYS 17 8.013 9.359 -20.305 133 HA LYS 17 HA LYS 17 8.987 10.381 -22.810 134 HB2 LYS 17 2HB LYS 17 6.813 8.583 -21.916 135 HB3 LYS 17 3HB LYS 17 6.517 9.460 -23.412 136 HG2 LYS 17 2HG LYS 17 8.682 8.583 -24.275 137 HG3 LYS 17 3HG LYS 17 8.798 7.589 -22.821 138 HD2 LYS 17 2HD LYS 17 6.786 6.411 -23.396 139 HD3 LYS 17 3HD LYS 17 6.483 7.501 -24.751 140 HE2 LYS 17 2HE LYS 17 9.035 5.951 -24.630 141 HE3 LYS 17 3HE LYS 17 7.554 5.156 -25.162 142 HZ1 LYS 17 3HZ LYS 17 7.320 6.746 -26.918 143 HZ2 LYS 17 1HZ LYS 17 8.882 6.099 -26.995 144 HZ3 LYS 17 2HZ LYS 17 8.637 7.648 -26.359 145 H LYS 18 H LYS 18 5.947 10.840 -20.998 146 HA LYS 18 HA LYS 18 5.172 13.087 -22.597 147 HB2 LYS 18 2HB LYS 18 4.052 11.570 -20.323 148 HB3 LYS 18 3HB LYS 18 3.575 13.260 -20.410 149 HG2 LYS 18 2HG LYS 18 3.317 12.223 -23.011 150 HG3 LYS 18 3HG LYS 18 2.613 11.032 -21.914 151 HD2 LYS 18 2HD LYS 18 0.936 12.425 -21.263 152 HD3 LYS 18 3HD LYS 18 1.929 13.875 -21.432 153 HE2 LYS 18 2HE LYS 18 1.766 13.600 -23.910 154 HE3 LYS 18 3HE LYS 18 0.621 12.288 -23.637 155 HZ1 LYS 18 3HZ LYS 18 -0.913 13.884 -23.697 156 HZ2 LYS 18 1HZ LYS 18 0.215 15.128 -23.493 157 HZ3 LYS 18 2HZ LYS 18 -0.391 14.306 -22.144 158 H LYS 19 H LYS 19 6.105 12.752 -19.170 159 HA LYS 19 HA LYS 19 6.956 14.242 -17.674 160 HB2 LYS 19 2HB LYS 19 8.695 14.155 -19.665 161 HB3 LYS 19 3HB LYS 19 8.186 15.822 -19.890 162 HG2 LYS 19 2HG LYS 19 9.179 16.533 -17.981 163 HG3 LYS 19 3HG LYS 19 8.922 14.999 -17.145 164 HD2 LYS 19 2HD LYS 19 10.720 14.742 -19.416 165 HD3 LYS 19 3HD LYS 19 11.305 15.901 -18.219 166 HE2 LYS 19 2HE LYS 19 10.314 13.179 -17.429 167 HE3 LYS 19 3HE LYS 19 11.978 13.441 -17.947 168 HZ1 LYS 19 3HZ LYS 19 11.350 13.587 -15.446 169 HZ2 LYS 19 1HZ LYS 19 10.846 15.152 -15.845 170 HZ3 LYS 19 2HZ LYS 19 12.453 14.690 -16.103 171 H THR 20 H THR 20 4.989 15.165 -17.051 172 HA THR 20 HA THR 20 4.792 17.952 -17.309 173 HB THR 20 HB THR 20 3.993 17.609 -19.551 174 HG1 THR 20 HG1 THR 20 2.782 19.209 -18.744 175 HG21 THR 20 1HG2 THR 20 1.900 15.772 -18.380 176 HG22 THR 20 2HG2 THR 20 3.314 15.248 -19.294 177 HG23 THR 20 3HG2 THR 20 2.069 16.221 -20.076 178 H GLY 21 H GLY 21 3.088 18.854 -16.044 179 HA2 GLY 21 2HA GLY 21 1.384 16.966 -14.593 180 HA3 GLY 21 3HA GLY 21 2.511 17.933 -13.652 181 H GLY 22 H GLY 22 -0.239 18.110 -15.868 182 HA2 GLY 22 2HA GLY 22 -1.538 20.110 -14.359 183 HA3 GLY 22 3HA GLY 22 -0.717 20.859 -15.720 184 H TYR 23 H TYR 23 -3.335 18.817 -14.716 185 HA TYR 23 HA TYR 23 -4.208 17.906 -17.221 186 HB2 TYR 23 2HB TYR 23 -5.491 18.281 -14.551 187 HB3 TYR 23 3HB TYR 23 -6.524 17.964 -15.940 188 HD1 TYR 23 HD1 TYR 23 -5.170 16.017 -17.510 189 HD2 TYR 23 HD2 TYR 23 -5.267 16.377 -13.272 190 HE1 TYR 23 HE1 TYR 23 -4.717 13.609 -17.301 191 HE2 TYR 23 HE2 TYR 23 -4.814 13.969 -13.052 192 HH TYR 23 HH TYR 23 -4.603 12.029 -14.128 193 HA PRO 24 HA PRO 24 -6.077 21.350 -19.192 194 HB2 PRO 24 2HB PRO 24 -8.305 20.253 -20.290 195 HB3 PRO 24 3HB PRO 24 -6.677 19.928 -20.894 196 HG2 PRO 24 2HG PRO 24 -8.391 18.271 -19.084 197 HG3 PRO 24 3HG PRO 24 -7.386 17.758 -20.451 198 HD2 PRO 24 2HD PRO 24 -6.585 17.501 -17.877 199 HD3 PRO 24 3HD PRO 24 -5.447 17.804 -19.206 200 H TRP 25 H TRP 25 -8.067 19.505 -16.969 201 HA TRP 25 HA TRP 25 -9.909 21.767 -16.674 202 HB2 TRP 25 2HB TRP 25 -11.212 20.119 -15.249 203 HB3 TRP 25 3HB TRP 25 -11.080 19.718 -16.959 204 HD1 TRP 25 HD1 TRP 25 -10.088 17.403 -17.550 205 HE1 TRP 25 HE1 TRP 25 -9.057 15.473 -16.194 206 HE3 TRP 25 HE3 TRP 25 -9.699 19.718 -13.008 207 HZ2 TRP 25 HZ2 TRP 25 -8.193 14.995 -13.550 208 HZ3 TRP 25 HZ3 TRP 25 -8.760 18.455 -11.117 209 HH2 TRP 25 HH2 TRP 25 -8.024 16.142 -11.384 210 H GLU 26 H GLU 26 -7.241 20.263 -15.165 211 HA GLU 26 HA GLU 26 -7.853 21.412 -12.550 212 HB2 GLU 26 2HB GLU 26 -6.731 19.048 -13.154 213 HB3 GLU 26 3HB GLU 26 -5.275 20.025 -13.036 214 HG2 GLU 26 2HG GLU 26 -5.777 20.627 -10.782 215 HG3 GLU 26 3HG GLU 26 -7.366 19.872 -10.882 216 H ARG 27 H ARG 27 -7.499 23.335 -14.474 217 HA ARG 27 HA ARG 27 -4.799 24.382 -13.943 218 HB2 ARG 27 2HB ARG 27 -5.633 23.990 -16.357 219 HB3 ARG 27 3HB ARG 27 -6.633 25.412 -16.090 220 HG2 ARG 27 2HG ARG 27 -4.730 26.798 -15.783 221 HG3 ARG 27 3HG ARG 27 -3.650 25.403 -15.724 222 HD2 ARG 27 2HD ARG 27 -3.306 25.886 -17.894 223 HD3 ARG 27 3HD ARG 27 -4.826 25.024 -18.129 224 HE ARG 27 HE ARG 27 -5.548 27.624 -17.652 225 HH11 ARG 27 1HH1 ARG 27 -3.527 25.981 -19.963 226 HH12 ARG 27 2HH1 ARG 27 -3.811 27.133 -21.225 227 HH21 ARG 27 1HH2 ARG 27 -5.928 29.147 -19.307 228 HH22 ARG 27 2HH2 ARG 27 -5.176 28.934 -20.851 229 H GLY 28 H GLY 28 -7.172 24.535 -12.177 230 HA2 GLY 28 2HA GLY 28 -7.083 26.639 -10.733 231 HA3 GLY 28 3HA GLY 28 -7.629 27.448 -12.194 232 H LYS 29 H LYS 29 -9.561 25.888 -13.182 233 HA LYS 29 HA LYS 29 -11.468 25.479 -10.981 234 HB2 LYS 29 2HB LYS 29 -11.692 27.267 -13.336 235 HB3 LYS 29 3HB LYS 29 -13.130 26.350 -12.909 236 HG2 LYS 29 2HG LYS 29 -12.735 27.254 -10.531 237 HG3 LYS 29 3HG LYS 29 -11.681 28.429 -11.320 238 HD2 LYS 29 2HD LYS 29 -14.550 27.951 -12.112 239 HD3 LYS 29 3HD LYS 29 -14.042 29.196 -10.968 240 HE2 LYS 29 2HE LYS 29 -12.461 29.316 -13.371 241 HE3 LYS 29 3HE LYS 29 -14.179 29.392 -13.758 242 HZ1 LYS 29 3HZ LYS 29 -13.170 31.065 -11.574 243 HZ2 LYS 29 1HZ LYS 29 -14.436 31.355 -12.658 244 HZ3 LYS 29 2HZ LYS 29 -12.833 31.538 -13.162 245 H ALA 30 H ALA 30 -12.232 23.479 -11.007 246 HA ALA 30 HA ALA 30 -11.747 21.634 -13.067 247 HB1 ALA 30 3HB ALA 30 -13.966 21.279 -11.086 248 HB2 ALA 30 1HB ALA 30 -12.876 20.072 -11.769 249 HB3 ALA 30 2HB ALA 30 -12.278 21.228 -10.577 Start of MODEL 18 1 H1 MET 1 H MET 1 2.888 1.434 -2.266 2 HA MET 1 HA MET 1 1.270 -0.597 -0.880 3 HB2 MET 1 2HB MET 1 0.902 0.476 -3.384 4 HB3 MET 1 3HB MET 1 1.768 -1.013 -3.739 5 HG2 MET 1 2HG MET 1 0.093 -2.345 -2.780 6 HG3 MET 1 3HG MET 1 -0.653 -0.967 -1.972 7 HE1 MET 1 3HE MET 1 -0.708 -3.125 -5.349 8 HE2 MET 1 1HE MET 1 -0.769 -1.783 -6.492 9 HE3 MET 1 2HE MET 1 0.623 -1.969 -5.424 10 H LYS 2 H LYS 2 1.907 -2.814 -1.054 11 HA LYS 2 HA LYS 2 4.716 -3.192 -0.743 12 HB2 LYS 2 2HB LYS 2 3.016 -4.490 0.509 13 HB3 LYS 2 3HB LYS 2 2.527 -5.264 -0.992 14 HG2 LYS 2 2HG LYS 2 4.740 -6.257 -1.214 15 HG3 LYS 2 3HG LYS 2 5.254 -5.458 0.273 16 HD2 LYS 2 2HD LYS 2 4.127 -6.908 1.600 17 HD3 LYS 2 3HD LYS 2 2.802 -7.097 0.449 18 HE2 LYS 2 2HE LYS 2 4.115 -8.588 -0.901 19 HE3 LYS 2 3HE LYS 2 5.545 -8.293 0.086 20 HZ1 LYS 2 3HZ LYS 2 4.905 -9.823 1.543 21 HZ2 LYS 2 1HZ LYS 2 3.725 -10.303 0.429 22 HZ3 LYS 2 2HZ LYS 2 3.336 -9.200 1.649 23 H THR 3 H THR 3 2.460 -3.599 -3.360 24 HA THR 3 HA THR 3 4.645 -4.652 -5.037 25 HB THR 3 HB THR 3 2.770 -6.267 -4.711 26 HG1 THR 3 HG1 THR 3 3.173 -5.232 -7.338 27 HG21 THR 3 1HG2 THR 3 0.607 -5.802 -5.194 28 HG22 THR 3 2HG2 THR 3 1.025 -4.754 -6.549 29 HG23 THR 3 3HG2 THR 3 1.118 -4.140 -4.900 30 H ILE 4 H ILE 4 4.042 -1.866 -4.497 31 HA ILE 4 HA ILE 4 2.614 -0.726 -6.672 32 HB ILE 4 HB ILE 4 3.087 0.423 -4.486 33 HG12 ILE 4 2HG1 ILE 4 3.971 1.955 -6.939 34 HG13 ILE 4 3HG1 ILE 4 2.294 1.593 -6.548 35 HG21 ILE 4 1HG2 ILE 4 5.519 -0.237 -4.487 36 HG22 ILE 4 2HG2 ILE 4 5.779 1.030 -5.685 37 HG23 ILE 4 3HG2 ILE 4 5.186 1.447 -4.077 38 HD11 ILE 4 3HD1 ILE 4 2.218 3.473 -5.394 39 HD12 ILE 4 1HD1 ILE 4 3.382 2.785 -4.261 40 HD13 ILE 4 2HD1 ILE 4 3.945 3.737 -5.635 41 H LEU 5 H LEU 5 5.630 -2.203 -6.498 42 HA LEU 5 HA LEU 5 7.280 -0.730 -8.146 43 HB2 LEU 5 2HB LEU 5 8.521 -2.676 -8.491 44 HB3 LEU 5 3HB LEU 5 7.763 -2.901 -6.915 45 HG LEU 5 HG LEU 5 5.954 -4.163 -8.410 46 HD11 LEU 5 1HD1 LEU 5 6.578 -4.583 -10.492 47 HD12 LEU 5 2HD1 LEU 5 8.025 -5.401 -9.901 48 HD13 LEU 5 3HD1 LEU 5 8.066 -3.671 -10.237 49 HD21 LEU 5 3HD2 LEU 5 8.576 -5.262 -7.410 50 HD22 LEU 5 1HD2 LEU 5 7.214 -6.260 -7.919 51 HD23 LEU 5 2HD2 LEU 5 7.044 -5.176 -6.538 52 H ARG 6 H ARG 6 4.583 -2.811 -9.004 53 HA ARG 6 HA ARG 6 5.091 -2.786 -11.812 54 HB2 ARG 6 2HB ARG 6 2.968 -3.868 -12.044 55 HB3 ARG 6 3HB ARG 6 3.745 -4.527 -10.611 56 HG2 ARG 6 2HG ARG 6 1.689 -4.194 -9.741 57 HG3 ARG 6 3HG ARG 6 2.342 -2.580 -9.453 58 HD2 ARG 6 2HD ARG 6 0.500 -1.888 -10.535 59 HD3 ARG 6 3HD ARG 6 1.403 -2.322 -11.986 60 HE ARG 6 HE ARG 6 0.046 -4.592 -11.061 61 HH11 ARG 6 1HH1 ARG 6 -0.620 -1.479 -12.472 62 HH12 ARG 6 2HH1 ARG 6 -2.083 -1.997 -13.242 63 HH21 ARG 6 1HH2 ARG 6 -1.879 -5.284 -12.070 64 HH22 ARG 6 2HH2 ARG 6 -2.799 -4.161 -13.012 65 H PHE 7 H PHE 7 3.282 -0.768 -9.599 66 HA PHE 7 HA PHE 7 1.882 0.675 -11.642 67 HB2 PHE 7 2HB PHE 7 0.874 0.569 -9.468 68 HB3 PHE 7 3HB PHE 7 2.323 1.211 -8.702 69 HD1 PHE 7 HD1 PHE 7 0.056 2.224 -11.493 70 HD2 PHE 7 HD2 PHE 7 2.126 3.359 -7.952 71 HE1 PHE 7 HE1 PHE 7 -0.852 4.502 -11.697 72 HE2 PHE 7 HE2 PHE 7 1.221 5.639 -8.149 73 HZ PHE 7 HZ PHE 7 -0.271 6.212 -10.024 74 H VAL 8 H VAL 8 4.594 1.475 -9.476 75 HA VAL 8 HA VAL 8 5.130 4.002 -10.600 76 HB VAL 8 HB VAL 8 7.008 2.143 -9.133 77 HG11 VAL 8 1HG1 VAL 8 8.229 3.822 -10.404 78 HG12 VAL 8 2HG1 VAL 8 7.238 5.098 -9.694 79 HG13 VAL 8 3HG1 VAL 8 8.327 4.156 -8.675 80 HG21 VAL 8 3HG2 VAL 8 5.811 2.635 -7.325 81 HG22 VAL 8 1HG2 VAL 8 6.241 4.332 -7.543 82 HG23 VAL 8 2HG2 VAL 8 4.762 3.697 -8.265 83 H ALA 9 H ALA 9 6.178 0.767 -11.440 84 HA ALA 9 HA ALA 9 8.366 1.270 -13.041 85 HB1 ALA 9 3HB ALA 9 7.622 -0.778 -14.328 86 HB2 ALA 9 1HB ALA 9 7.814 -0.978 -12.586 87 HB3 ALA 9 2HB ALA 9 6.203 -0.803 -13.284 88 H GLY 10 H GLY 10 4.937 1.236 -14.017 89 HA2 GLY 10 2HA GLY 10 5.486 2.014 -16.708 90 HA3 GLY 10 3HA GLY 10 3.910 2.007 -15.929 91 H TYR 11 H TYR 11 4.899 3.763 -13.748 92 HA TYR 11 HA TYR 11 4.254 6.252 -14.986 93 HB2 TYR 11 2HB TYR 11 3.727 5.497 -12.586 94 HB3 TYR 11 3HB TYR 11 5.388 5.943 -12.212 95 HD1 TYR 11 HD1 TYR 11 6.076 8.375 -12.972 96 HD2 TYR 11 HD2 TYR 11 2.070 7.091 -12.336 97 HE1 TYR 11 HE1 TYR 11 5.382 10.714 -12.658 98 HE2 TYR 11 HE2 TYR 11 1.364 9.426 -12.022 99 HH TYR 11 HH TYR 11 3.562 12.100 -12.586 100 H ASP 12 H ASP 12 7.208 4.699 -13.923 101 HA ASP 12 HA ASP 12 8.901 6.951 -14.016 102 HB2 ASP 12 2HB ASP 12 9.325 4.577 -13.044 103 HB3 ASP 12 3HB ASP 12 9.856 4.181 -14.676 104 H ILE 13 H ILE 13 7.663 4.828 -16.482 105 HA ILE 13 HA ILE 13 9.488 5.870 -18.496 106 HB ILE 13 HB ILE 13 7.213 3.902 -18.774 107 HG12 ILE 13 2HG1 ILE 13 9.891 2.881 -19.209 108 HG13 ILE 13 3HG1 ILE 13 9.730 3.569 -17.597 109 HG21 ILE 13 1HG2 ILE 13 7.668 5.068 -20.860 110 HG22 ILE 13 2HG2 ILE 13 9.381 4.675 -20.721 111 HG23 ILE 13 3HG2 ILE 13 8.198 3.389 -20.958 112 HD11 ILE 13 3HD1 ILE 13 8.951 1.557 -17.044 113 HD12 ILE 13 1HD1 ILE 13 7.453 2.091 -17.804 114 HD13 ILE 13 2HD1 ILE 13 8.609 1.122 -18.718 115 H ALA 14 H ALA 14 6.015 5.891 -17.773 116 HA ALA 14 HA ALA 14 5.217 7.425 -19.996 117 HB1 ALA 14 3HB ALA 14 3.833 7.419 -17.326 118 HB2 ALA 14 1HB ALA 14 3.125 7.653 -18.924 119 HB3 ALA 14 2HB ALA 14 3.739 6.068 -18.456 120 H SER 15 H SER 15 6.339 8.319 -16.779 121 HA SER 15 HA SER 15 5.739 11.093 -17.036 122 HB2 SER 15 2HB SER 15 6.048 9.881 -14.854 123 HB3 SER 15 3HB SER 15 7.777 9.820 -15.197 124 HG SER 15 HG SER 15 6.177 12.144 -14.881 125 H HIS 16 H HIS 16 8.401 9.071 -17.968 126 HA HIS 16 HA HIS 16 10.222 11.274 -18.399 127 HB2 HIS 16 2HB HIS 16 10.683 8.696 -17.857 128 HB3 HIS 16 3HB HIS 16 10.730 8.605 -19.616 129 HD1 HIS 16 HD1 HIS 16 13.172 8.380 -20.066 130 HD2 HIS 16 HD2 HIS 16 12.338 11.471 -17.419 131 HE1 HIS 16 HE1 HIS 16 15.360 9.568 -19.708 132 H LYS 17 H LYS 17 8.017 9.315 -20.283 133 HA LYS 17 HA LYS 17 8.960 10.264 -22.826 134 HB2 LYS 17 2HB LYS 17 6.549 8.679 -21.958 135 HB3 LYS 17 3HB LYS 17 6.768 9.199 -23.623 136 HG2 LYS 17 2HG LYS 17 9.150 8.048 -23.204 137 HG3 LYS 17 3HG LYS 17 8.160 7.101 -22.090 138 HD2 LYS 17 2HD LYS 17 6.696 6.425 -23.846 139 HD3 LYS 17 3HD LYS 17 7.427 7.568 -24.975 140 HE2 LYS 17 2HE LYS 17 9.057 6.139 -25.509 141 HE3 LYS 17 3HE LYS 17 9.380 5.756 -23.819 142 HZ1 LYS 17 3HZ LYS 17 7.714 4.365 -25.749 143 HZ2 LYS 17 1HZ LYS 17 7.090 4.462 -24.180 144 HZ3 LYS 17 2HZ LYS 17 8.603 3.754 -24.447 145 H LYS 18 H LYS 18 5.943 10.761 -20.986 146 HA LYS 18 HA LYS 18 5.150 12.951 -22.678 147 HB2 LYS 18 2HB LYS 18 3.999 11.815 -20.129 148 HB3 LYS 18 3HB LYS 18 3.289 13.178 -20.984 149 HG2 LYS 18 2HG LYS 18 3.724 11.045 -22.828 150 HG3 LYS 18 3HG LYS 18 2.858 10.432 -21.418 151 HD2 LYS 18 2HD LYS 18 1.906 13.019 -22.446 152 HD3 LYS 18 3HD LYS 18 1.676 11.649 -23.534 153 HE2 LYS 18 2HE LYS 18 -0.276 11.910 -22.139 154 HE3 LYS 18 3HE LYS 18 0.565 10.423 -21.702 155 HZ1 LYS 18 3HZ LYS 18 1.374 11.375 -19.746 156 HZ2 LYS 18 1HZ LYS 18 -0.232 11.905 -19.823 157 HZ3 LYS 18 2HZ LYS 18 1.026 12.953 -20.244 158 H LYS 19 H LYS 19 5.984 12.666 -19.222 159 HA LYS 19 HA LYS 19 6.775 14.180 -17.717 160 HB2 LYS 19 2HB LYS 19 8.703 14.096 -19.277 161 HB3 LYS 19 3HB LYS 19 8.013 15.446 -20.170 162 HG2 LYS 19 2HG LYS 19 8.085 16.391 -17.591 163 HG3 LYS 19 3HG LYS 19 9.560 15.427 -17.707 164 HD2 LYS 19 2HD LYS 19 10.329 16.682 -19.578 165 HD3 LYS 19 3HD LYS 19 8.769 17.490 -19.756 166 HE2 LYS 19 2HE LYS 19 9.099 18.786 -17.827 167 HE3 LYS 19 3HE LYS 19 10.405 17.752 -17.251 168 HZ1 LYS 19 3HZ LYS 19 11.723 18.514 -19.183 169 HZ2 LYS 19 1HZ LYS 19 11.334 19.759 -18.105 170 HZ3 LYS 19 2HZ LYS 19 10.492 19.610 -19.564 171 H THR 20 H THR 20 4.709 15.009 -17.205 172 HA THR 20 HA THR 20 4.454 17.795 -17.402 173 HB THR 20 HB THR 20 3.802 17.550 -19.684 174 HG1 THR 20 HG1 THR 20 1.266 17.685 -18.484 175 HG21 THR 20 1HG2 THR 20 1.850 15.454 -18.728 176 HG22 THR 20 2HG2 THR 20 3.287 15.177 -19.712 177 HG23 THR 20 3HG2 THR 20 1.930 16.093 -20.369 178 H GLY 21 H GLY 21 2.798 18.606 -16.095 179 HA2 GLY 21 2HA GLY 21 0.511 17.726 -15.151 180 HA3 GLY 21 3HA GLY 21 1.587 16.592 -14.348 181 H GLY 22 H GLY 22 0.676 19.978 -14.628 182 HA2 GLY 22 2HA GLY 22 0.720 21.661 -13.061 183 HA3 GLY 22 3HA GLY 22 1.089 20.437 -11.856 184 H TYR 23 H TYR 23 2.276 23.056 -13.621 185 HA TYR 23 HA TYR 23 5.045 22.417 -13.630 186 HB2 TYR 23 2HB TYR 23 3.429 24.894 -14.046 187 HB3 TYR 23 3HB TYR 23 5.157 25.058 -13.755 188 HD1 TYR 23 HD2 TYR 23 6.409 22.945 -15.188 189 HD2 TYR 23 HD1 TYR 23 2.964 25.188 -16.284 190 HE1 TYR 23 HE2 TYR 23 6.858 22.465 -17.559 191 HE2 TYR 23 HE1 TYR 23 3.402 24.714 -18.658 192 HH TYR 23 HH TYR 23 6.345 23.149 -19.705 193 HA PRO 24 HA PRO 24 6.339 23.316 -9.536 194 HB2 PRO 24 2HB PRO 24 8.700 24.592 -9.940 195 HB3 PRO 24 3HB PRO 24 8.485 22.860 -10.218 196 HG2 PRO 24 2HG PRO 24 8.476 25.111 -12.191 197 HG3 PRO 24 3HG PRO 24 9.242 23.516 -12.317 198 HD2 PRO 24 2HD PRO 24 6.888 24.101 -13.521 199 HD3 PRO 24 3HD PRO 24 7.273 22.478 -12.912 200 H TRP 25 H TRP 25 6.207 25.996 -11.795 201 HA TRP 25 HA TRP 25 6.097 27.913 -9.580 202 HB2 TRP 25 2HB TRP 25 6.189 29.618 -11.459 203 HB3 TRP 25 3HB TRP 25 7.622 28.610 -11.265 204 HD1 TRP 25 HD1 TRP 25 8.407 27.274 -13.336 205 HE1 TRP 25 HE1 TRP 25 7.491 26.912 -15.714 206 HE3 TRP 25 HE3 TRP 25 3.796 29.407 -12.764 207 HZ2 TRP 25 HZ2 TRP 25 5.128 27.458 -17.157 208 HZ3 TRP 25 HZ3 TRP 25 2.268 29.447 -14.692 209 HH2 TRP 25 HH2 TRP 25 2.921 28.492 -16.842 210 H GLU 26 H GLU 26 4.098 26.252 -11.793 211 HA GLU 26 HA GLU 26 1.923 28.188 -11.541 212 HB2 GLU 26 2HB GLU 26 2.675 26.726 -13.669 213 HB3 GLU 26 3HB GLU 26 1.505 25.619 -12.965 214 HG2 GLU 26 2HG GLU 26 0.560 28.375 -13.133 215 HG3 GLU 26 3HG GLU 26 0.933 27.648 -14.695 216 H ARG 27 H ARG 27 2.546 27.132 -9.123 217 HA ARG 27 HA ARG 27 0.573 25.012 -8.634 218 HB2 ARG 27 2HB ARG 27 2.825 26.051 -6.903 219 HB3 ARG 27 3HB ARG 27 1.689 24.798 -6.419 220 HG2 ARG 27 2HG ARG 27 2.477 23.365 -8.222 221 HG3 ARG 27 3HG ARG 27 3.594 24.628 -8.746 222 HD2 ARG 27 2HD ARG 27 3.624 23.145 -6.121 223 HD3 ARG 27 3HD ARG 27 4.793 23.004 -7.433 224 HE ARG 27 HE ARG 27 4.859 25.643 -6.752 225 HH11 ARG 27 1HH1 ARG 27 5.276 22.650 -5.022 226 HH12 ARG 27 2HH1 ARG 27 6.378 23.322 -3.865 227 HH21 ARG 27 1HH2 ARG 27 6.308 26.539 -5.235 228 HH22 ARG 27 2HH2 ARG 27 6.962 25.534 -3.987 229 H GLY 28 H GLY 28 -0.031 27.890 -9.091 230 HA2 GLY 28 2HA GLY 28 -2.047 28.860 -8.161 231 HA3 GLY 28 3HA GLY 28 -1.507 28.331 -6.575 232 H LYS 29 H LYS 29 0.745 29.761 -8.797 233 HA LYS 29 HA LYS 29 0.616 32.298 -7.311 234 HB2 LYS 29 2HB LYS 29 2.952 30.493 -7.755 235 HB3 LYS 29 3HB LYS 29 3.229 32.229 -7.752 236 HG2 LYS 29 2HG LYS 29 1.598 31.475 -5.510 237 HG3 LYS 29 3HG LYS 29 3.084 30.523 -5.547 238 HD2 LYS 29 2HD LYS 29 3.036 33.523 -5.823 239 HD3 LYS 29 3HD LYS 29 3.209 32.697 -4.273 240 HE2 LYS 29 2HE LYS 29 5.029 31.770 -6.386 241 HE3 LYS 29 3HE LYS 29 5.276 33.440 -5.875 242 HZ1 LYS 29 3HZ LYS 29 6.199 31.186 -4.612 243 HZ2 LYS 29 1HZ LYS 29 4.914 31.711 -3.644 244 HZ3 LYS 29 2HZ LYS 29 6.195 32.759 -3.990 245 H ALA 30 H ALA 30 -0.646 32.872 -9.260 246 HA ALA 30 HA ALA 30 1.154 33.682 -11.448 247 HB1 ALA 30 3HB ALA 30 -1.381 32.199 -11.560 248 HB2 ALA 30 1HB ALA 30 -1.233 33.526 -12.713 249 HB3 ALA 30 2HB ALA 30 -0.031 32.234 -12.695 Start of MODEL 19 1 H1 MET 1 H MET 1 2.040 1.248 -0.730 2 HA MET 1 HA MET 1 0.688 -0.878 -0.936 3 HB2 MET 1 2HB MET 1 0.393 0.296 -3.521 4 HB3 MET 1 3HB MET 1 1.188 -1.261 -3.710 5 HG2 MET 1 2HG MET 1 -0.646 -2.419 -3.131 6 HG3 MET 1 3HG MET 1 -1.126 -1.250 -1.904 7 HE1 MET 1 3HE MET 1 -4.172 0.123 -3.421 8 HE2 MET 1 1HE MET 1 -3.605 -1.118 -2.302 9 HE3 MET 1 2HE MET 1 -2.944 0.515 -2.217 10 H LYS 2 H LYS 2 1.800 -2.850 -1.072 11 HA LYS 2 HA LYS 2 4.639 -2.629 -0.878 12 HB2 LYS 2 2HB LYS 2 2.638 -4.530 -0.168 13 HB3 LYS 2 3HB LYS 2 3.850 -5.356 -1.138 14 HG2 LYS 2 2HG LYS 2 5.199 -3.708 0.737 15 HG3 LYS 2 3HG LYS 2 3.966 -4.634 1.596 16 HD2 LYS 2 2HD LYS 2 4.851 -6.680 0.408 17 HD3 LYS 2 3HD LYS 2 6.205 -5.681 -0.127 18 HE2 LYS 2 2HE LYS 2 5.691 -5.460 2.730 19 HE3 LYS 2 3HE LYS 2 6.060 -7.109 2.229 20 HZ1 LYS 2 3HZ LYS 2 8.170 -6.572 1.700 21 HZ2 LYS 2 1HZ LYS 2 7.923 -5.321 2.813 22 HZ3 LYS 2 2HZ LYS 2 7.776 -5.020 1.155 23 H THR 3 H THR 3 2.407 -3.956 -3.274 24 HA THR 3 HA THR 3 4.647 -4.643 -5.025 25 HB THR 3 HB THR 3 2.801 -6.286 -4.724 26 HG1 THR 3 HG1 THR 3 3.080 -5.232 -7.360 27 HG21 THR 3 1HG2 THR 3 1.184 -4.004 -5.215 28 HG22 THR 3 2HG2 THR 3 0.671 -5.651 -4.845 29 HG23 THR 3 3HG2 THR 3 0.904 -5.155 -6.522 30 H ILE 4 H ILE 4 4.078 -1.871 -4.505 31 HA ILE 4 HA ILE 4 2.624 -0.734 -6.672 32 HB ILE 4 HB ILE 4 3.097 0.417 -4.487 33 HG12 ILE 4 2HG1 ILE 4 3.975 1.953 -6.940 34 HG13 ILE 4 3HG1 ILE 4 2.299 1.585 -6.550 35 HG21 ILE 4 1HG2 ILE 4 5.192 1.447 -4.080 36 HG22 ILE 4 2HG2 ILE 4 5.528 -0.236 -4.486 37 HG23 ILE 4 3HG2 ILE 4 5.786 1.030 -5.686 38 HD11 ILE 4 3HD1 ILE 4 4.127 3.576 -5.384 39 HD12 ILE 4 1HD1 ILE 4 2.384 3.641 -5.644 40 HD13 ILE 4 2HD1 ILE 4 3.038 2.760 -4.263 41 H LEU 5 H LEU 5 5.645 -2.203 -6.500 42 HA LEU 5 HA LEU 5 7.290 -0.726 -8.149 43 HB2 LEU 5 2HB LEU 5 8.535 -2.670 -8.496 44 HB3 LEU 5 3HB LEU 5 7.778 -2.897 -6.920 45 HG LEU 5 HG LEU 5 5.971 -4.162 -8.414 46 HD11 LEU 5 1HD1 LEU 5 8.278 -5.195 -9.878 47 HD12 LEU 5 2HD1 LEU 5 7.806 -3.562 -10.345 48 HD13 LEU 5 3HD1 LEU 5 6.633 -4.877 -10.426 49 HD21 LEU 5 3HD2 LEU 5 8.589 -5.225 -7.376 50 HD22 LEU 5 1HD2 LEU 5 7.280 -6.258 -7.951 51 HD23 LEU 5 2HD2 LEU 5 7.024 -5.203 -6.560 52 H ARG 6 H ARG 6 4.598 -2.812 -9.006 53 HA ARG 6 HA ARG 6 5.103 -2.783 -11.815 54 HB2 ARG 6 2HB ARG 6 3.005 -3.889 -12.049 55 HB3 ARG 6 3HB ARG 6 3.754 -4.520 -10.588 56 HG2 ARG 6 2HG ARG 6 1.707 -4.167 -9.727 57 HG3 ARG 6 3HG ARG 6 2.311 -2.520 -9.528 58 HD2 ARG 6 2HD ARG 6 0.278 -2.166 -10.566 59 HD3 ARG 6 3HD ARG 6 1.392 -2.174 -11.934 60 HE ARG 6 HE ARG 6 0.578 -4.765 -11.716 61 HH11 ARG 6 1HH1 ARG 6 -1.050 -1.706 -12.044 62 HH12 ARG 6 2HH1 ARG 6 -2.402 -2.369 -12.900 63 HH21 ARG 6 1HH2 ARG 6 -1.197 -5.651 -12.841 64 HH22 ARG 6 2HH2 ARG 6 -2.487 -4.613 -13.352 65 H PHE 7 H PHE 7 3.291 -0.771 -9.600 66 HA PHE 7 HA PHE 7 1.886 0.670 -11.640 67 HB2 PHE 7 2HB PHE 7 0.880 0.560 -9.466 68 HB3 PHE 7 3HB PHE 7 2.328 1.204 -8.700 69 HD1 PHE 7 HD1 PHE 7 0.055 2.215 -11.487 70 HD2 PHE 7 HD2 PHE 7 2.130 3.353 -7.949 71 HE1 PHE 7 HE1 PHE 7 -0.858 4.491 -11.687 72 HE2 PHE 7 HE2 PHE 7 1.220 5.630 -8.144 73 HZ PHE 7 HZ PHE 7 -0.277 6.202 -10.015 74 H VAL 8 H VAL 8 4.602 1.470 -9.479 75 HA VAL 8 HA VAL 8 5.130 4.001 -10.600 76 HB VAL 8 HB VAL 8 7.011 2.145 -9.135 77 HG11 VAL 8 1HG1 VAL 8 8.230 3.827 -10.406 78 HG12 VAL 8 2HG1 VAL 8 7.237 5.101 -9.696 79 HG13 VAL 8 3HG1 VAL 8 8.328 4.160 -8.677 80 HG21 VAL 8 3HG2 VAL 8 6.241 4.332 -7.542 81 HG22 VAL 8 1HG2 VAL 8 4.764 3.695 -8.266 82 HG23 VAL 8 2HG2 VAL 8 5.815 2.634 -7.327 83 H ALA 9 H ALA 9 6.183 0.768 -11.442 84 HA ALA 9 HA ALA 9 8.371 1.276 -13.045 85 HB1 ALA 9 3HB ALA 9 6.214 -0.805 -13.256 86 HB2 ALA 9 1HB ALA 9 7.601 -0.770 -14.346 87 HB3 ALA 9 2HB ALA 9 7.846 -0.973 -12.610 88 H GLY 10 H GLY 10 4.941 1.235 -14.020 89 HA2 GLY 10 2HA GLY 10 5.489 2.016 -16.710 90 HA3 GLY 10 3HA GLY 10 3.912 2.004 -15.932 91 H TYR 11 H TYR 11 4.895 3.760 -13.750 92 HA TYR 11 HA TYR 11 4.242 6.249 -14.982 93 HB2 TYR 11 2HB TYR 11 3.731 5.483 -12.579 94 HB3 TYR 11 3HB TYR 11 5.388 5.951 -12.213 95 HD1 TYR 11 HD1 TYR 11 6.044 8.389 -12.971 96 HD2 TYR 11 HD2 TYR 11 2.054 7.056 -12.333 97 HE1 TYR 11 HE1 TYR 11 5.322 10.719 -12.657 98 HE2 TYR 11 HE2 TYR 11 1.321 9.384 -12.018 99 HH TYR 11 HH TYR 11 2.729 11.904 -12.998 100 H ASP 12 H ASP 12 7.205 4.704 -13.930 101 HA ASP 12 HA ASP 12 8.890 6.962 -14.025 102 HB2 ASP 12 2HB ASP 12 9.333 4.600 -13.050 103 HB3 ASP 12 3HB ASP 12 9.835 4.185 -14.687 104 H ILE 13 H ILE 13 7.667 4.823 -16.492 105 HA ILE 13 HA ILE 13 9.477 5.876 -18.509 106 HB ILE 13 HB ILE 13 7.193 3.918 -18.785 107 HG12 ILE 13 2HG1 ILE 13 9.859 2.878 -19.236 108 HG13 ILE 13 3HG1 ILE 13 9.721 3.576 -17.625 109 HG21 ILE 13 1HG2 ILE 13 8.170 3.407 -20.973 110 HG22 ILE 13 2HG2 ILE 13 7.645 5.086 -20.869 111 HG23 ILE 13 3HG2 ILE 13 9.358 4.688 -20.738 112 HD11 ILE 13 3HD1 ILE 13 7.419 2.101 -17.856 113 HD12 ILE 13 1HD1 ILE 13 8.616 1.115 -18.697 114 HD13 ILE 13 2HD1 ILE 13 8.894 1.604 -17.025 115 H ALA 14 H ALA 14 6.000 5.889 -17.794 116 HA ALA 14 HA ALA 14 5.204 7.438 -20.004 117 HB1 ALA 14 3HB ALA 14 3.116 7.681 -18.917 118 HB2 ALA 14 1HB ALA 14 3.721 6.084 -18.477 119 HB3 ALA 14 2HB ALA 14 3.832 7.417 -17.327 120 H SER 15 H SER 15 6.314 8.325 -16.777 121 HA SER 15 HA SER 15 5.733 11.103 -17.041 122 HB2 SER 15 2HB SER 15 6.895 11.382 -14.972 123 HB3 SER 15 3HB SER 15 6.046 9.841 -14.863 124 HG SER 15 HG SER 15 8.210 9.031 -15.750 125 H HIS 16 H HIS 16 8.410 9.067 -17.922 126 HA HIS 16 HA HIS 16 10.215 11.283 -18.377 127 HB2 HIS 16 2HB HIS 16 10.389 8.349 -18.373 128 HB3 HIS 16 3HB HIS 16 11.372 9.126 -19.610 129 HD1 HIS 16 HD1 HIS 16 13.646 8.814 -18.588 130 HD2 HIS 16 HD2 HIS 16 10.933 10.545 -15.960 131 HE1 HIS 16 HE1 HIS 16 15.001 9.524 -16.593 132 H LYS 17 H LYS 17 8.040 9.265 -20.219 133 HA LYS 17 HA LYS 17 9.029 10.082 -22.786 134 HB2 LYS 17 2HB LYS 17 7.160 8.169 -21.776 135 HB3 LYS 17 3HB LYS 17 6.352 9.151 -22.992 136 HG2 LYS 17 2HG LYS 17 7.798 8.480 -24.678 137 HG3 LYS 17 3HG LYS 17 9.037 7.953 -23.538 138 HD2 LYS 17 2HD LYS 17 7.351 6.194 -22.780 139 HD3 LYS 17 3HD LYS 17 6.440 6.607 -24.234 140 HE2 LYS 17 2HE LYS 17 8.415 6.075 -25.598 141 HE3 LYS 17 3HE LYS 17 9.291 5.625 -24.136 142 HZ1 LYS 17 3HZ LYS 17 7.516 4.068 -25.681 143 HZ2 LYS 17 1HZ LYS 17 6.912 4.206 -24.107 144 HZ3 LYS 17 2HZ LYS 17 8.469 3.597 -24.365 145 H LYS 18 H LYS 18 5.976 10.718 -21.051 146 HA LYS 18 HA LYS 18 5.342 12.906 -22.827 147 HB2 LYS 18 2HB LYS 18 3.980 11.646 -20.463 148 HB3 LYS 18 3HB LYS 18 3.409 13.174 -21.119 149 HG2 LYS 18 2HG LYS 18 3.212 12.035 -23.345 150 HG3 LYS 18 3HG LYS 18 3.545 10.514 -22.512 151 HD2 LYS 18 2HD LYS 18 1.565 10.669 -21.233 152 HD3 LYS 18 3HD LYS 18 1.324 12.362 -21.671 153 HE2 LYS 18 2HE LYS 18 1.095 11.553 -24.066 154 HE3 LYS 18 3HE LYS 18 0.999 9.924 -23.403 155 HZ1 LYS 18 3HZ LYS 18 -1.168 11.165 -23.833 156 HZ2 LYS 18 1HZ LYS 18 -0.794 12.070 -22.453 157 HZ3 LYS 18 2HZ LYS 18 -0.998 10.395 -22.337 158 H LYS 19 H LYS 19 5.896 12.601 -19.316 159 HA LYS 19 HA LYS 19 6.566 14.110 -17.748 160 HB2 LYS 19 2HB LYS 19 8.614 13.916 -19.209 161 HB3 LYS 19 3HB LYS 19 8.093 15.387 -20.019 162 HG2 LYS 19 2HG LYS 19 8.075 16.408 -17.646 163 HG3 LYS 19 3HG LYS 19 9.081 15.021 -17.222 164 HD2 LYS 19 2HD LYS 19 10.852 16.110 -18.008 165 HD3 LYS 19 3HD LYS 19 10.125 16.082 -19.617 166 HE2 LYS 19 2HE LYS 19 8.987 18.174 -19.167 167 HE3 LYS 19 3HE LYS 19 9.611 18.188 -17.519 168 HZ1 LYS 19 3HZ LYS 19 10.790 19.542 -19.379 169 HZ2 LYS 19 1HZ LYS 19 11.503 18.057 -19.762 170 HZ3 LYS 19 2HZ LYS 19 11.710 18.722 -18.221 171 H THR 20 H THR 20 4.492 15.029 -17.464 172 HA THR 20 HA THR 20 4.379 17.835 -18.244 173 HB THR 20 HB THR 20 3.082 16.928 -20.017 174 HG1 THR 20 HG1 THR 20 1.080 17.574 -18.126 175 HG21 THR 20 1HG2 THR 20 1.766 15.245 -17.892 176 HG22 THR 20 2HG2 THR 20 2.675 14.699 -19.299 177 HG23 THR 20 3HG2 THR 20 1.094 15.450 -19.508 178 H GLY 21 H GLY 21 2.898 19.090 -16.961 179 HA2 GLY 21 2HA GLY 21 1.123 18.678 -15.115 180 HA3 GLY 21 3HA GLY 21 2.468 17.872 -14.321 181 H GLY 22 H GLY 22 1.897 20.968 -16.011 182 HA2 GLY 22 2HA GLY 22 3.841 22.381 -14.515 183 HA3 GLY 22 3HA GLY 22 2.569 23.102 -15.490 184 H TYR 23 H TYR 23 0.816 23.970 -14.508 185 HA TYR 23 HA TYR 23 0.957 24.582 -11.762 186 HB2 TYR 23 2HB TYR 23 -1.068 24.984 -13.919 187 HB3 TYR 23 3HB TYR 23 -1.562 25.236 -12.248 188 HD1 TYR 23 HD1 TYR 23 0.614 26.537 -10.962 189 HD2 TYR 23 HD2 TYR 23 -0.737 27.009 -14.969 190 HE1 TYR 23 HE1 TYR 23 1.578 28.799 -11.015 191 HE2 TYR 23 HE2 TYR 23 0.224 29.272 -15.033 192 HH TYR 23 HH TYR 23 1.920 30.628 -12.219 193 HA PRO 24 HA PRO 24 -1.092 21.283 -9.722 194 HB2 PRO 24 2HB PRO 24 -2.578 22.585 -7.860 195 HB3 PRO 24 3HB PRO 24 -0.817 22.453 -7.763 196 HG2 PRO 24 2HG PRO 24 -2.496 24.732 -8.736 197 HG3 PRO 24 3HG PRO 24 -1.055 24.765 -7.704 198 HD2 PRO 24 2HD PRO 24 -0.964 25.332 -10.350 199 HD3 PRO 24 3HD PRO 24 0.385 24.560 -9.492 200 H TRP 25 H TRP 25 -3.095 23.879 -10.971 201 HA TRP 25 HA TRP 25 -5.449 22.133 -10.939 202 HB2 TRP 25 2HB TRP 25 -6.644 24.249 -11.673 203 HB3 TRP 25 3HB TRP 25 -5.943 24.284 -10.058 204 HD1 TRP 25 HD1 TRP 25 -4.288 26.203 -9.540 205 HE1 TRP 25 HE1 TRP 25 -3.226 28.103 -10.913 206 HE3 TRP 25 HE3 TRP 25 -5.758 24.744 -14.214 207 HZ2 TRP 25 HZ2 TRP 25 -3.038 28.881 -13.621 208 HZ3 TRP 25 HZ3 TRP 25 -5.095 26.122 -16.142 209 HH2 TRP 25 HH2 TRP 25 -3.765 28.147 -15.849 210 H GLU 26 H GLU 26 -3.016 23.312 -13.017 211 HA GLU 26 HA GLU 26 -4.600 22.825 -15.425 212 HB2 GLU 26 2HB GLU 26 -2.800 24.760 -14.923 213 HB3 GLU 26 3HB GLU 26 -1.733 23.554 -15.628 214 HG2 GLU 26 2HG GLU 26 -4.165 23.911 -17.168 215 HG3 GLU 26 3HG GLU 26 -3.246 25.405 -16.995 216 H ARG 27 H ARG 27 -3.717 20.683 -13.568 217 HA ARG 27 HA ARG 27 -2.102 19.111 -15.466 218 HB2 ARG 27 2HB ARG 27 -1.281 17.817 -13.552 219 HB3 ARG 27 3HB ARG 27 -0.890 19.524 -13.386 220 HG2 ARG 27 2HG ARG 27 -1.807 19.489 -11.375 221 HG3 ARG 27 3HG ARG 27 -3.371 19.169 -12.127 222 HD2 ARG 27 2HD ARG 27 -3.139 16.845 -11.871 223 HD3 ARG 27 3HD ARG 27 -1.409 16.970 -11.552 224 HE ARG 27 HE ARG 27 -3.534 17.226 -9.654 225 HH11 ARG 27 1HH1 ARG 27 -0.283 18.215 -10.407 226 HH12 ARG 27 2HH1 ARG 27 0.148 18.517 -8.756 227 HH21 ARG 27 1HH2 ARG 27 -2.981 17.620 -7.476 228 HH22 ARG 27 2HH2 ARG 27 -1.387 18.178 -7.090 229 H GLY 28 H GLY 28 -5.041 19.466 -15.314 230 HA2 GLY 28 2HA GLY 28 -5.825 16.697 -14.654 231 HA3 GLY 28 3HA GLY 28 -6.920 18.071 -14.641 232 H LYS 29 H LYS 29 -4.614 17.779 -17.205 233 HA LYS 29 HA LYS 29 -4.881 17.572 -19.458 234 HB2 LYS 29 2HB LYS 29 -6.495 15.324 -18.321 235 HB3 LYS 29 3HB LYS 29 -6.541 15.618 -20.055 236 HG2 LYS 29 2HG LYS 29 -4.077 15.423 -20.113 237 HG3 LYS 29 3HG LYS 29 -4.101 15.017 -18.395 238 HD2 LYS 29 2HD LYS 29 -4.365 12.888 -18.985 239 HD3 LYS 29 3HD LYS 29 -5.973 13.314 -19.574 240 HE2 LYS 29 2HE LYS 29 -5.025 13.827 -21.772 241 HE3 LYS 29 3HE LYS 29 -3.420 13.402 -21.182 242 HZ1 LYS 29 3HZ LYS 29 -5.696 11.654 -21.796 243 HZ2 LYS 29 1HZ LYS 29 -4.600 11.170 -20.602 244 HZ3 LYS 29 2HZ LYS 29 -4.060 11.462 -22.177 245 H ALA 30 H ALA 30 -5.959 19.740 -19.264 246 HA ALA 30 HA ALA 30 -8.764 19.566 -20.154 247 HB1 ALA 30 3HB ALA 30 -7.981 22.179 -19.168 248 HB2 ALA 30 1HB ALA 30 -9.358 21.168 -18.726 249 HB3 ALA 30 2HB ALA 30 -7.794 20.919 -17.948 Start of MODEL 20 1 H1 MET 1 H MET 1 0.322 0.407 0.083 2 HA MET 1 HA MET 1 0.580 -1.432 -1.315 3 HB2 MET 1 2HB MET 1 1.794 0.827 -2.918 4 HB3 MET 1 3HB MET 1 1.120 -0.657 -3.582 5 HG2 MET 1 2HG MET 1 -0.893 0.419 -1.974 6 HG3 MET 1 3HG MET 1 -0.198 1.784 -2.845 7 HE1 MET 1 3HE MET 1 -3.157 -0.196 -2.967 8 HE2 MET 1 1HE MET 1 -3.039 1.509 -3.404 9 HE3 MET 1 2HE MET 1 -3.610 0.332 -4.588 10 H LYS 2 H LYS 2 1.910 -3.105 -1.194 11 HA LYS 2 HA LYS 2 4.772 -2.691 -0.926 12 HB2 LYS 2 2HB LYS 2 3.013 -5.133 -0.715 13 HB3 LYS 2 3HB LYS 2 4.768 -5.214 -0.624 14 HG2 LYS 2 2HG LYS 2 4.465 -3.420 1.248 15 HG3 LYS 2 3HG LYS 2 2.820 -4.057 1.311 16 HD2 LYS 2 2HD LYS 2 5.154 -5.928 1.365 17 HD3 LYS 2 3HD LYS 2 4.667 -5.083 2.836 18 HE2 LYS 2 2HE LYS 2 2.460 -6.323 1.354 19 HE3 LYS 2 3HE LYS 2 3.648 -7.465 1.984 20 HZ1 LYS 2 3HZ LYS 2 2.674 -7.269 3.947 21 HZ2 LYS 2 1HZ LYS 2 1.627 -6.070 3.374 22 HZ3 LYS 2 2HZ LYS 2 3.135 -5.643 4.010 23 H THR 3 H THR 3 2.475 -3.826 -3.282 24 HA THR 3 HA THR 3 4.652 -4.676 -5.060 25 HB THR 3 HB THR 3 2.771 -6.269 -4.695 26 HG1 THR 3 HG1 THR 3 3.822 -6.562 -6.607 27 HG21 THR 3 1HG2 THR 3 0.651 -5.594 -4.796 28 HG22 THR 3 2HG2 THR 3 0.873 -5.085 -6.470 29 HG23 THR 3 3HG2 THR 3 1.202 -3.958 -5.154 30 H ILE 4 H ILE 4 4.050 -1.874 -4.499 31 HA ILE 4 HA ILE 4 2.615 -0.738 -6.671 32 HB ILE 4 HB ILE 4 3.087 0.411 -4.485 33 HG12 ILE 4 2HG1 ILE 4 3.965 1.949 -6.938 34 HG13 ILE 4 3HG1 ILE 4 2.289 1.581 -6.547 35 HG21 ILE 4 1HG2 ILE 4 5.520 -0.241 -4.487 36 HG22 ILE 4 2HG2 ILE 4 5.776 1.027 -5.686 37 HG23 ILE 4 3HG2 ILE 4 5.183 1.441 -4.076 38 HD11 ILE 4 3HD1 ILE 4 3.861 3.767 -5.696 39 HD12 ILE 4 1HD1 ILE 4 2.181 3.403 -5.308 40 HD13 ILE 4 2HD1 ILE 4 3.476 2.793 -4.277 41 H LEU 5 H LEU 5 5.637 -2.206 -6.500 42 HA LEU 5 HA LEU 5 7.281 -0.726 -8.148 43 HB2 LEU 5 2HB LEU 5 8.528 -2.669 -8.496 44 HB3 LEU 5 3HB LEU 5 7.771 -2.898 -6.921 45 HG LEU 5 HG LEU 5 5.964 -4.163 -8.415 46 HD11 LEU 5 1HD1 LEU 5 6.590 -4.549 -10.504 47 HD12 LEU 5 2HD1 LEU 5 8.013 -5.408 -9.913 48 HD13 LEU 5 3HD1 LEU 5 8.099 -3.676 -10.234 49 HD21 LEU 5 3HD2 LEU 5 7.173 -6.253 -7.892 50 HD22 LEU 5 1HD2 LEU 5 7.112 -5.136 -6.528 51 HD23 LEU 5 2HD2 LEU 5 8.595 -5.297 -7.470 52 H ARG 6 H ARG 6 4.589 -2.814 -9.006 53 HA ARG 6 HA ARG 6 5.094 -2.784 -11.815 54 HB2 ARG 6 2HB ARG 6 2.974 -3.870 -12.046 55 HB3 ARG 6 3HB ARG 6 3.756 -4.532 -10.616 56 HG2 ARG 6 2HG ARG 6 1.708 -4.205 -9.733 57 HG3 ARG 6 3HG ARG 6 2.347 -2.582 -9.459 58 HD2 ARG 6 2HD ARG 6 0.478 -1.929 -10.527 59 HD3 ARG 6 3HD ARG 6 1.396 -2.330 -11.978 60 HE ARG 6 HE ARG 6 0.133 -4.657 -11.157 61 HH11 ARG 6 1HH1 ARG 6 -0.769 -1.478 -12.254 62 HH12 ARG 6 2HH1 ARG 6 -2.259 -2.003 -12.965 63 HH21 ARG 6 1HH2 ARG 6 -1.825 -5.361 -12.091 64 HH22 ARG 6 2HH2 ARG 6 -2.859 -4.212 -12.871 65 H PHE 7 H PHE 7 3.282 -0.774 -9.599 66 HA PHE 7 HA PHE 7 1.876 0.667 -11.638 67 HB2 PHE 7 2HB PHE 7 0.870 0.556 -9.465 68 HB3 PHE 7 3HB PHE 7 2.318 1.201 -8.699 69 HD1 PHE 7 HD1 PHE 7 0.046 2.212 -11.486 70 HD2 PHE 7 HD2 PHE 7 2.117 3.348 -7.946 71 HE1 PHE 7 HE1 PHE 7 -0.868 4.487 -11.687 72 HE2 PHE 7 HE2 PHE 7 1.206 5.625 -8.140 73 HZ PHE 7 HZ PHE 7 -0.290 6.197 -10.011 74 H VAL 8 H VAL 8 4.591 1.470 -9.476 75 HA VAL 8 HA VAL 8 5.118 4.001 -10.597 76 HB VAL 8 HB VAL 8 7.001 2.146 -9.133 77 HG11 VAL 8 1HG1 VAL 8 7.223 5.101 -9.694 78 HG12 VAL 8 2HG1 VAL 8 8.315 4.163 -8.673 79 HG13 VAL 8 3HG1 VAL 8 8.217 3.829 -10.402 80 HG21 VAL 8 3HG2 VAL 8 6.229 4.330 -7.539 81 HG22 VAL 8 1HG2 VAL 8 4.752 3.692 -8.263 82 HG23 VAL 8 2HG2 VAL 8 5.804 2.632 -7.324 83 H ALA 9 H ALA 9 6.173 0.769 -11.440 84 HA ALA 9 HA ALA 9 8.360 1.279 -13.042 85 HB1 ALA 9 3HB ALA 9 7.821 -0.971 -12.595 86 HB2 ALA 9 1HB ALA 9 6.201 -0.800 -13.275 87 HB3 ALA 9 2HB ALA 9 7.612 -0.769 -14.335 88 H GLY 10 H GLY 10 4.931 1.238 -14.016 89 HA2 GLY 10 2HA GLY 10 5.475 2.020 -16.706 90 HA3 GLY 10 3HA GLY 10 3.901 2.008 -15.927 91 H TYR 11 H TYR 11 4.886 3.764 -13.746 92 HA TYR 11 HA TYR 11 4.235 6.252 -14.981 93 HB2 TYR 11 2HB TYR 11 3.711 5.492 -12.581 94 HB3 TYR 11 3HB TYR 11 5.371 5.947 -12.208 95 HD1 TYR 11 HD1 TYR 11 6.043 8.384 -12.983 96 HD2 TYR 11 HD2 TYR 11 2.049 7.076 -12.314 97 HE1 TYR 11 HE1 TYR 11 5.337 10.719 -12.669 98 HE2 TYR 11 HE2 TYR 11 1.332 9.407 -11.999 99 HH TYR 11 HH TYR 11 3.666 12.065 -12.013 100 H ASP 12 H ASP 12 7.194 4.709 -13.911 101 HA ASP 12 HA ASP 12 8.880 6.963 -14.003 102 HB2 ASP 12 2HB ASP 12 9.309 4.584 -13.041 103 HB3 ASP 12 3HB ASP 12 9.843 4.198 -14.674 104 H ILE 13 H ILE 13 7.671 4.821 -16.475 105 HA ILE 13 HA ILE 13 9.487 5.872 -18.486 106 HB ILE 13 HB ILE 13 7.196 3.923 -18.770 107 HG12 ILE 13 2HG1 ILE 13 9.866 2.882 -19.211 108 HG13 ILE 13 3HG1 ILE 13 9.713 3.568 -17.598 109 HG21 ILE 13 1HG2 ILE 13 8.857 3.486 -20.880 110 HG22 ILE 13 2HG2 ILE 13 7.392 4.465 -20.938 111 HG23 ILE 13 3HG2 ILE 13 8.960 5.237 -20.706 112 HD11 ILE 13 3HD1 ILE 13 8.603 1.121 -18.705 113 HD12 ILE 13 1HD1 ILE 13 8.894 1.582 -17.028 114 HD13 ILE 13 2HD1 ILE 13 7.417 2.099 -17.842 115 H ALA 14 H ALA 14 5.996 5.869 -17.821 116 HA ALA 14 HA ALA 14 5.220 7.432 -20.018 117 HB1 ALA 14 3HB ALA 14 3.892 7.238 -17.318 118 HB2 ALA 14 1HB ALA 14 3.146 7.810 -18.809 119 HB3 ALA 14 2HB ALA 14 3.648 6.126 -18.665 120 H SER 15 H SER 15 6.343 8.312 -16.799 121 HA SER 15 HA SER 15 5.756 11.091 -17.050 122 HB2 SER 15 2HB SER 15 6.067 9.846 -14.874 123 HB3 SER 15 3HB SER 15 7.797 9.827 -15.212 124 HG SER 15 HG SER 15 6.206 12.172 -15.043 125 H HIS 16 H HIS 16 8.420 9.058 -17.962 126 HA HIS 16 HA HIS 16 10.238 11.263 -18.402 127 HB2 HIS 16 2HB HIS 16 11.091 9.066 -17.690 128 HB3 HIS 16 3HB HIS 16 10.478 8.347 -19.175 129 HD1 HIS 16 HD1 HIS 16 11.829 8.728 -21.320 130 HD2 HIS 16 HD2 HIS 16 13.417 10.631 -17.987 131 HE1 HIS 16 HE1 HIS 16 14.125 9.485 -22.010 132 H LYS 17 H LYS 17 8.048 9.278 -20.271 133 HA LYS 17 HA LYS 17 9.011 10.166 -22.825 134 HB2 LYS 17 2HB LYS 17 7.837 7.977 -22.403 135 HB3 LYS 17 3HB LYS 17 6.347 8.889 -22.197 136 HG2 LYS 17 2HG LYS 17 6.195 9.413 -24.423 137 HG3 LYS 17 3HG LYS 17 7.933 9.266 -24.689 138 HD2 LYS 17 2HD LYS 17 6.315 6.860 -23.951 139 HD3 LYS 17 3HD LYS 17 6.333 7.439 -25.618 140 HE2 LYS 17 2HE LYS 17 8.900 7.019 -24.141 141 HE3 LYS 17 3HE LYS 17 8.055 5.646 -24.854 142 HZ1 LYS 17 3HZ LYS 17 9.798 6.782 -26.268 143 HZ2 LYS 17 1HZ LYS 17 8.708 8.066 -26.424 144 HZ3 LYS 17 2HZ LYS 17 8.290 6.529 -26.992 145 H LYS 18 H LYS 18 5.937 10.704 -21.093 146 HA LYS 18 HA LYS 18 5.239 12.906 -22.804 147 HB2 LYS 18 2HB LYS 18 3.992 11.676 -20.358 148 HB3 LYS 18 3HB LYS 18 3.364 13.165 -21.054 149 HG2 LYS 18 2HG LYS 18 3.746 11.052 -23.022 150 HG3 LYS 18 3HG LYS 18 2.606 10.626 -21.743 151 HD2 LYS 18 2HD LYS 18 1.722 13.082 -22.255 152 HD3 LYS 18 3HD LYS 18 2.431 12.730 -23.832 153 HE2 LYS 18 2HE LYS 18 0.344 11.891 -24.182 154 HE3 LYS 18 3HE LYS 18 1.106 10.456 -23.497 155 HZ1 LYS 18 3HZ LYS 18 -0.951 10.755 -22.399 156 HZ2 LYS 18 1HZ LYS 18 -0.656 12.397 -22.113 157 HZ3 LYS 18 2HZ LYS 18 0.245 11.221 -21.296 158 H LYS 19 H LYS 19 5.910 12.631 -19.310 159 HA LYS 19 HA LYS 19 6.766 14.105 -17.805 160 HB2 LYS 19 2HB LYS 19 8.498 14.199 -19.790 161 HB3 LYS 19 3HB LYS 19 7.854 15.822 -20.000 162 HG2 LYS 19 2HG LYS 19 8.720 16.575 -18.019 163 HG3 LYS 19 3HG LYS 19 8.727 14.970 -17.286 164 HD2 LYS 19 2HD LYS 19 10.989 15.456 -17.673 165 HD3 LYS 19 3HD LYS 19 10.531 14.388 -19.000 166 HE2 LYS 19 2HE LYS 19 10.021 17.128 -19.703 167 HE3 LYS 19 3HE LYS 19 11.690 16.937 -19.167 168 HZ1 LYS 19 3HZ LYS 19 12.112 16.173 -21.192 169 HZ2 LYS 19 1HZ LYS 19 10.471 16.088 -21.595 170 HZ3 LYS 19 2HZ LYS 19 11.217 14.790 -20.808 171 H THR 20 H THR 20 4.795 14.900 -17.088 172 HA THR 20 HA THR 20 4.365 17.685 -17.475 173 HB THR 20 HB THR 20 3.252 17.140 -19.500 174 HG1 THR 20 HG1 THR 20 2.049 18.576 -18.218 175 HG21 THR 20 1HG2 THR 20 2.460 14.745 -18.029 176 HG22 THR 20 2HG2 THR 20 2.643 14.997 -19.765 177 HG23 THR 20 3HG2 THR 20 1.142 15.455 -18.961 178 H GLY 21 H GLY 21 2.811 18.559 -16.020 179 HA2 GLY 21 2HA GLY 21 1.338 16.794 -14.269 180 HA3 GLY 21 3HA GLY 21 2.714 17.574 -13.501 181 H GLY 22 H GLY 22 2.707 19.842 -13.224 182 HA2 GLY 22 2HA GLY 22 0.265 21.283 -13.918 183 HA3 GLY 22 3HA GLY 22 0.599 21.085 -12.204 184 H TYR 23 H TYR 23 1.594 22.738 -11.286 185 HA TYR 23 HA TYR 23 2.534 24.967 -12.679 186 HB2 TYR 23 2HB TYR 23 2.767 24.004 -9.862 187 HB3 TYR 23 3HB TYR 23 3.775 25.353 -10.373 188 HD1 TYR 23 HD1 TYR 23 2.147 26.975 -12.048 189 HD2 TYR 23 HD2 TYR 23 0.994 24.764 -8.600 190 HE1 TYR 23 HE1 TYR 23 0.267 28.520 -11.694 191 HE2 TYR 23 HE2 TYR 23 -0.891 26.302 -8.238 192 HH TYR 23 HH TYR 23 -1.239 29.013 -9.076 193 HA PRO 24 HA PRO 24 6.659 24.085 -13.880 194 HB2 PRO 24 2HB PRO 24 7.932 26.425 -13.356 195 HB3 PRO 24 3HB PRO 24 6.782 26.232 -14.685 196 HG2 PRO 24 2HG PRO 24 6.356 27.416 -11.969 197 HG3 PRO 24 3HG PRO 24 5.791 28.000 -13.546 198 HD2 PRO 24 2HD PRO 24 4.190 26.640 -11.837 199 HD3 PRO 24 3HD PRO 24 4.023 26.522 -13.601 200 H TRP 25 H TRP 25 6.168 25.335 -10.641 201 HA TRP 25 HA TRP 25 8.773 24.292 -9.795 202 HB2 TRP 25 2HB TRP 25 8.186 25.459 -7.618 203 HB3 TRP 25 3HB TRP 25 8.425 26.507 -9.013 204 HD1 TRP 25 HD1 TRP 25 6.489 28.110 -9.626 205 HE1 TRP 25 HE1 TRP 25 4.101 28.489 -8.741 206 HE3 TRP 25 HE3 TRP 25 6.107 24.042 -6.552 207 HZ2 TRP 25 HZ2 TRP 25 2.296 27.231 -6.974 208 HZ3 TRP 25 HZ3 TRP 25 4.017 23.703 -5.299 209 HH2 TRP 25 HH2 TRP 25 2.152 25.266 -5.507 210 H GLU 26 H GLU 26 5.441 23.546 -9.759 211 HA GLU 26 HA GLU 26 5.691 21.722 -7.493 212 HB2 GLU 26 2HB GLU 26 3.638 23.293 -8.177 213 HB3 GLU 26 3HB GLU 26 3.192 21.864 -9.099 214 HG2 GLU 26 2HG GLU 26 3.205 20.521 -7.087 215 HG3 GLU 26 3HG GLU 26 3.743 21.908 -6.141 216 H ARG 27 H ARG 27 7.292 21.040 -9.653 217 HA ARG 27 HA ARG 27 5.909 18.679 -10.747 218 HB2 ARG 27 2HB ARG 27 7.550 18.773 -12.610 219 HB3 ARG 27 3HB ARG 27 6.506 20.186 -12.534 220 HG2 ARG 27 2HG ARG 27 8.284 21.497 -12.492 221 HG3 ARG 27 3HG ARG 27 8.812 20.740 -10.989 222 HD2 ARG 27 2HD ARG 27 10.611 20.152 -12.207 223 HD3 ARG 27 3HD ARG 27 9.557 18.859 -12.780 224 HE ARG 27 HE ARG 27 9.341 21.247 -14.344 225 HH11 ARG 27 1HH1 ARG 27 11.191 18.340 -13.848 226 HH12 ARG 27 2HH1 ARG 27 11.792 18.291 -15.472 227 HH21 ARG 27 1HH2 ARG 27 10.125 21.193 -16.486 228 HH22 ARG 27 2HH2 ARG 27 11.186 19.914 -16.971 229 H GLY 28 H GLY 28 7.306 18.932 -8.175 230 HA2 GLY 28 2HA GLY 28 9.764 17.409 -8.557 231 HA3 GLY 28 3HA GLY 28 9.158 18.046 -7.034 232 H LYS 29 H LYS 29 7.404 16.920 -5.987 233 HA LYS 29 HA LYS 29 7.679 14.056 -6.273 234 HB2 LYS 29 2HB LYS 29 7.264 15.722 -4.127 235 HB3 LYS 29 3HB LYS 29 5.664 15.038 -4.382 236 HG2 LYS 29 2HG LYS 29 6.396 13.372 -3.090 237 HG3 LYS 29 3HG LYS 29 7.232 12.820 -4.544 238 HD2 LYS 29 2HD LYS 29 9.085 12.923 -3.287 239 HD3 LYS 29 3HD LYS 29 8.982 14.668 -3.540 240 HE2 LYS 29 2HE LYS 29 7.525 13.346 -1.279 241 HE3 LYS 29 3HE LYS 29 9.231 13.766 -1.132 242 HZ1 LYS 29 3HZ LYS 29 8.188 16.043 -2.084 243 HZ2 LYS 29 1HZ LYS 29 8.422 15.720 -0.439 244 HZ3 LYS 29 2HZ LYS 29 6.902 15.479 -1.141 245 H ALA 30 H ALA 30 5.393 16.523 -7.108 246 HA ALA 30 HA ALA 30 3.399 14.491 -7.841 247 HB1 ALA 30 3HB ALA 30 1.792 16.317 -7.951 248 HB2 ALA 30 1HB ALA 30 2.596 16.282 -6.382 249 HB3 ALA 30 2HB ALA 30 3.069 17.478 -7.588
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