NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
457743 | 2khe | 11042 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HN MET 1 -18.396 1.458 6.717 2 HA MET 1 HA MET 1 -18.662 1.908 3.903 3 HB2 MET 1 2HB MET 1 -18.125 4.202 5.751 4 HB3 MET 1 3HB MET 1 -17.381 4.179 4.158 5 HG2 MET 1 2HG MET 1 -20.310 3.716 4.375 6 HG3 MET 1 3HG MET 1 -19.687 5.352 4.573 7 HE1 MET 1 3HE MET 1 -21.123 3.996 0.812 8 HE2 MET 1 1HE MET 1 -21.416 3.306 2.409 9 HE3 MET 1 2HE MET 1 -21.717 5.020 2.120 10 H GLY 2 HN GLY 2 -16.775 1.501 2.824 11 HA2 GLY 2 1HA GLY 2 -14.218 1.603 4.138 12 HA3 GLY 2 2HA GLY 2 -14.804 -0.038 3.910 13 H TYR 3 HN TYR 3 -12.736 2.053 2.656 14 HA TYR 3 HA TYR 3 -13.320 2.147 -0.094 15 HB2 TYR 3 2HB TYR 3 -10.777 2.387 1.491 16 HB3 TYR 3 3HB TYR 3 -10.750 2.415 -0.269 17 HD1 TYR 3 2HD TYR 3 -13.036 3.945 2.266 18 HD2 TYR 3 1HD TYR 3 -10.393 4.570 -1.009 19 HE1 TYR 3 2HE TYR 3 -13.569 6.346 2.301 20 HE2 TYR 3 1HE TYR 3 -10.917 6.973 -0.982 21 HH TYR 3 HH TYR 3 -13.496 8.276 0.456 22 H ARG 4 HN ARG 4 -12.054 1.038 -1.808 23 HA ARG 4 HA ARG 4 -12.146 -1.818 -1.368 24 HB2 ARG 4 2HB ARG 4 -13.035 -0.739 -3.438 25 HB3 ARG 4 3HB ARG 4 -11.387 -0.308 -3.872 26 HG2 ARG 4 2HG ARG 4 -10.826 -2.441 -4.436 27 HG3 ARG 4 3HG ARG 4 -11.966 -3.159 -3.296 28 HD2 ARG 4 2HD ARG 4 -13.049 -3.623 -5.247 29 HD3 ARG 4 3HD ARG 4 -13.731 -2.032 -4.910 30 HE ARG 4 HE ARG 4 -11.550 -1.470 -6.411 31 HH11 ARG 4 2HH1 ARG 4 -14.265 -3.609 -6.829 32 HH12 ARG 4 1HH1 ARG 4 -14.257 -3.492 -8.557 33 HH21 ARG 4 2HH2 ARG 4 -11.530 -1.308 -8.686 34 HH22 ARG 4 1HH2 ARG 4 -12.701 -2.184 -9.613 35 H ILE 5 HN ILE 5 -10.420 -3.264 -1.746 36 HA ILE 5 HA ILE 5 -7.757 -2.042 -1.426 37 HB ILE 5 HB ILE 5 -8.486 -4.830 -0.555 38 HG12 ILE 5 2HG1 ILE 5 -9.925 -3.272 0.662 39 HG13 ILE 5 3HG1 ILE 5 -8.697 -3.937 1.733 40 HG21 ILE 5 1HG2 ILE 5 -6.335 -5.001 -0.040 41 HG22 ILE 5 2HG2 ILE 5 -6.062 -3.414 -0.759 42 HG23 ILE 5 3HG2 ILE 5 -6.427 -3.552 0.961 43 HD11 ILE 5 3HD1 ILE 5 -7.403 -1.889 1.538 44 HD12 ILE 5 1HD1 ILE 5 -8.608 -1.224 0.436 45 HD13 ILE 5 2HD1 ILE 5 -9.037 -1.558 2.114 46 H GLU 6 HN GLU 6 -6.877 -2.035 -3.414 47 HA GLU 6 HA GLU 6 -6.917 -4.561 -4.932 48 HB2 GLU 6 2HB GLU 6 -7.040 -1.705 -5.822 49 HB3 GLU 6 3HB GLU 6 -6.331 -2.911 -6.886 50 HG2 GLU 6 2HG GLU 6 -9.141 -2.792 -5.838 51 HG3 GLU 6 3HG GLU 6 -8.595 -2.687 -7.511 52 H PHE 7 HN PHE 7 -4.996 -5.022 -6.209 53 HA PHE 7 HA PHE 7 -2.555 -3.697 -5.267 54 HB2 PHE 7 2HB PHE 7 -3.221 -6.617 -5.065 55 HB3 PHE 7 3HB PHE 7 -1.547 -6.100 -5.235 56 HD1 PHE 7 1HD PHE 7 -4.575 -5.514 -3.156 57 HD2 PHE 7 2HD PHE 7 -0.324 -5.545 -3.356 58 HE1 PHE 7 1HE PHE 7 -4.462 -5.107 -0.731 59 HE2 PHE 7 2HE PHE 7 -0.203 -5.139 -0.932 60 HZ PHE 7 HZ PHE 7 -2.274 -4.921 0.383 61 H ASP 8 HN ASP 8 -1.292 -3.143 -6.908 62 HA ASP 8 HA ASP 8 -1.901 -3.694 -9.582 63 HB2 ASP 8 2HB ASP 8 0.381 -2.451 -8.140 64 HB3 ASP 8 3HB ASP 8 0.671 -2.970 -9.798 65 HA PRO 9 HA PRO 9 -0.036 -7.543 -10.548 66 HB2 PRO 9 2HB PRO 9 1.093 -7.074 -12.971 67 HB3 PRO 9 3HB PRO 9 -0.655 -7.196 -12.733 68 HG2 PRO 9 2HG PRO 9 1.060 -4.753 -12.967 69 HG3 PRO 9 3HG PRO 9 -0.523 -5.083 -13.696 70 HD2 PRO 9 2HD PRO 9 -0.230 -3.556 -11.479 71 HD3 PRO 9 3HD PRO 9 -1.662 -4.567 -11.760 72 H ARG 10 HN ARG 10 1.899 -4.772 -10.122 73 HA ARG 10 HA ARG 10 4.405 -6.257 -10.372 74 HB2 ARG 10 2HB ARG 10 3.857 -3.330 -9.854 75 HB3 ARG 10 3HB ARG 10 5.464 -4.037 -9.955 76 HG2 ARG 10 2HG ARG 10 3.453 -4.162 -12.187 77 HG3 ARG 10 3HG ARG 10 4.667 -2.891 -12.029 78 HD2 ARG 10 2HD ARG 10 6.438 -4.385 -12.363 79 HD3 ARG 10 3HD ARG 10 5.429 -5.792 -12.029 80 HE ARG 10 HE ARG 10 4.389 -4.522 -14.279 81 HH11 ARG 10 2HH1 ARG 10 7.288 -6.196 -13.322 82 HH12 ARG 10 1HH1 ARG 10 7.634 -6.779 -14.917 83 HH21 ARG 10 2HH2 ARG 10 4.834 -5.284 -16.383 84 HH22 ARG 10 1HH2 ARG 10 6.238 -6.259 -16.657 85 H ALA 11 HN ALA 11 2.565 -4.401 -7.971 86 HA ALA 11 HA ALA 11 4.349 -4.797 -5.823 87 HB1 ALA 11 1HB ALA 11 1.443 -4.074 -5.977 88 HB2 ALA 11 2HB ALA 11 2.256 -4.301 -4.428 89 HB3 ALA 11 3HB ALA 11 2.818 -3.057 -5.545 90 H GLU 12 HN GLU 12 1.422 -6.553 -6.813 91 HA GLU 12 HA GLU 12 1.028 -8.321 -4.821 92 HB2 GLU 12 2HB GLU 12 0.863 -8.585 -7.783 93 HB3 GLU 12 3HB GLU 12 0.717 -10.051 -6.824 94 HG2 GLU 12 2HG GLU 12 -0.976 -7.595 -6.435 95 HG3 GLU 12 3HG GLU 12 -1.448 -8.993 -7.400 96 H LYS 13 HN LYS 13 3.567 -8.579 -7.280 97 HA LYS 13 HA LYS 13 4.628 -11.013 -6.179 98 HB2 LYS 13 2HB LYS 13 5.437 -9.137 -8.370 99 HB3 LYS 13 3HB LYS 13 6.593 -10.321 -7.774 100 HG2 LYS 13 2HG LYS 13 3.844 -11.076 -8.721 101 HG3 LYS 13 3HG LYS 13 5.239 -10.983 -9.799 102 HD2 LYS 13 2HD LYS 13 6.343 -12.739 -8.701 103 HD3 LYS 13 3HD LYS 13 5.300 -12.623 -7.282 104 HE2 LYS 13 2HE LYS 13 3.451 -13.538 -8.475 105 HE3 LYS 13 3HE LYS 13 4.306 -13.420 -10.012 106 HZ1 LYS 13 3HZ LYS 13 5.377 -15.331 -9.644 107 HZ2 LYS 13 1HZ LYS 13 4.186 -15.631 -8.481 108 HZ3 LYS 13 2HZ LYS 13 5.677 -14.984 -8.016 109 H GLU 14 HN GLU 14 5.603 -7.600 -6.198 110 HA GLU 14 HA GLU 14 8.016 -7.863 -4.828 111 HB2 GLU 14 2HB GLU 14 6.036 -5.581 -4.823 112 HB3 GLU 14 3HB GLU 14 7.663 -5.479 -4.167 113 HG2 GLU 14 2HG GLU 14 7.342 -6.389 -6.973 114 HG3 GLU 14 3HG GLU 14 7.093 -4.682 -6.612 115 H LEU 15 HN LEU 15 4.753 -8.040 -3.693 116 HA LEU 15 HA LEU 15 5.526 -7.739 -0.904 117 HB2 LEU 15 2HB LEU 15 3.470 -6.736 -1.340 118 HB3 LEU 15 3HB LEU 15 2.926 -8.074 -2.351 119 HG LEU 15 HG LEU 15 3.355 -8.523 0.571 120 HD11 LEU 15 1HD1 LEU 15 0.842 -7.347 -0.606 121 HD12 LEU 15 2HD1 LEU 15 2.011 -6.455 0.367 122 HD13 LEU 15 3HD1 LEU 15 1.117 -7.801 1.076 123 HD21 LEU 15 3HD2 LEU 15 1.153 -9.878 -0.104 124 HD22 LEU 15 1HD2 LEU 15 2.779 -10.523 -0.324 125 HD23 LEU 15 2HD2 LEU 15 1.927 -9.795 -1.687 126 H GLU 16 HN GLU 16 4.058 -10.233 -2.979 127 HA GLU 16 HA GLU 16 3.895 -12.281 -1.119 128 HB2 GLU 16 2HB GLU 16 4.207 -12.217 -4.094 129 HB3 GLU 16 3HB GLU 16 4.313 -13.757 -3.253 130 HG2 GLU 16 2HG GLU 16 1.985 -11.859 -3.308 131 HG3 GLU 16 3HG GLU 16 2.075 -13.476 -4.003 132 H LYS 17 HN LYS 17 6.657 -11.077 -2.884 133 HA LYS 17 HA LYS 17 8.404 -13.248 -2.452 134 HB2 LYS 17 2HB LYS 17 10.108 -11.862 -3.251 135 HB3 LYS 17 3HB LYS 17 8.666 -11.228 -4.033 136 HG2 LYS 17 2HG LYS 17 9.593 -9.279 -3.340 137 HG3 LYS 17 3HG LYS 17 8.642 -9.660 -1.902 138 HD2 LYS 17 2HD LYS 17 10.745 -9.101 -1.054 139 HD3 LYS 17 3HD LYS 17 10.753 -10.866 -1.072 140 HE2 LYS 17 2HE LYS 17 11.760 -9.423 -3.470 141 HE3 LYS 17 3HE LYS 17 12.774 -9.453 -2.028 142 HZ1 LYS 17 3HZ LYS 17 13.466 -11.348 -3.047 143 HZ2 LYS 17 1HZ LYS 17 11.975 -11.652 -3.785 144 HZ3 LYS 17 2HZ LYS 17 12.191 -11.996 -2.144 145 H LEU 18 HN LEU 18 7.346 -10.646 -0.418 146 HA LEU 18 HA LEU 18 9.468 -10.735 1.466 147 HB2 LEU 18 2HB LEU 18 6.615 -9.820 1.794 148 HB3 LEU 18 3HB LEU 18 7.919 -9.517 2.940 149 HG LEU 18 HG LEU 18 7.863 -8.484 0.106 150 HD11 LEU 18 1HD1 LEU 18 6.188 -7.231 1.020 151 HD12 LEU 18 2HD1 LEU 18 7.585 -6.276 1.517 152 HD13 LEU 18 3HD1 LEU 18 6.818 -7.378 2.661 153 HD21 LEU 18 3HD2 LEU 18 9.991 -7.969 0.458 154 HD22 LEU 18 1HD2 LEU 18 9.918 -8.671 2.075 155 HD23 LEU 18 2HD2 LEU 18 9.510 -6.972 1.833 156 H ASP 19 HN ASP 19 8.967 -11.281 3.837 157 HA ASP 19 HA ASP 19 8.686 -14.016 4.128 158 HB2 ASP 19 2HB ASP 19 9.732 -12.723 5.862 159 HB3 ASP 19 3HB ASP 19 8.256 -11.802 6.139 160 H ARG 20 HN ARG 20 7.009 -15.184 5.410 161 HA ARG 20 HA ARG 20 4.462 -14.850 4.180 162 HB2 ARG 20 2HB ARG 20 5.224 -17.071 4.709 163 HB3 ARG 20 3HB ARG 20 5.407 -16.656 6.408 164 HG2 ARG 20 2HG ARG 20 3.426 -17.757 6.505 165 HG3 ARG 20 3HG ARG 20 2.828 -16.127 6.188 166 HD2 ARG 20 2HD ARG 20 2.415 -16.593 3.933 167 HD3 ARG 20 3HD ARG 20 3.442 -18.026 3.950 168 HE ARG 20 HE ARG 20 1.220 -18.280 5.719 169 HH11 ARG 20 2HH1 ARG 20 2.185 -18.492 2.381 170 HH12 ARG 20 1HH1 ARG 20 0.927 -19.603 1.953 171 HH21 ARG 20 2HH2 ARG 20 -0.441 -19.742 5.167 172 HH22 ARG 20 1HH2 ARG 20 -0.567 -20.313 3.538 173 H GLU 21 HN GLU 21 5.560 -14.561 7.559 174 HA GLU 21 HA GLU 21 3.104 -13.682 8.602 175 HB2 GLU 21 2HB GLU 21 5.930 -13.253 9.577 176 HB3 GLU 21 3HB GLU 21 4.502 -12.806 10.499 177 HG2 GLU 21 2HG GLU 21 3.795 -15.108 10.603 178 HG3 GLU 21 3HG GLU 21 5.136 -15.596 9.568 179 H VAL 22 HN VAL 22 5.839 -11.931 7.230 180 HA VAL 22 HA VAL 22 4.986 -9.330 7.911 181 HB VAL 22 HB VAL 22 6.693 -10.210 5.578 182 HG11 VAL 22 1HG1 VAL 22 6.897 -7.513 6.812 183 HG12 VAL 22 2HG1 VAL 22 7.227 -8.029 5.157 184 HG13 VAL 22 3HG1 VAL 22 5.562 -7.825 5.703 185 HG21 VAL 22 3HG2 VAL 22 7.686 -9.046 8.156 186 HG22 VAL 22 1HG2 VAL 22 7.402 -10.778 7.986 187 HG23 VAL 22 2HG2 VAL 22 8.570 -9.969 6.941 188 H ALA 23 HN ALA 23 4.445 -11.329 5.037 189 HA ALA 23 HA ALA 23 3.091 -9.399 3.506 190 HB1 ALA 23 1HB ALA 23 2.141 -12.109 3.063 191 HB2 ALA 23 2HB ALA 23 3.007 -11.020 1.978 192 HB3 ALA 23 3HB ALA 23 3.900 -12.010 3.132 193 H ARG 24 HN ARG 24 1.829 -11.967 5.628 194 HA ARG 24 HA ARG 24 -0.890 -11.386 5.278 195 HB2 ARG 24 2HB ARG 24 -0.297 -13.468 6.267 196 HB3 ARG 24 3HB ARG 24 0.620 -12.679 7.543 197 HG2 ARG 24 2HG ARG 24 -1.634 -11.645 8.229 198 HG3 ARG 24 3HG ARG 24 -2.344 -12.908 7.222 199 HD2 ARG 24 2HD ARG 24 -0.281 -13.669 9.230 200 HD3 ARG 24 3HD ARG 24 -1.906 -13.282 9.796 201 HE ARG 24 HE ARG 24 -1.093 -15.665 8.504 202 HH11 ARG 24 2HH1 ARG 24 -3.737 -13.407 8.682 203 HH12 ARG 24 1HH1 ARG 24 -4.938 -14.578 8.246 204 HH21 ARG 24 2HH2 ARG 24 -2.664 -17.216 7.930 205 HH22 ARG 24 1HH2 ARG 24 -4.326 -16.745 7.820 206 H ARG 25 HN ARG 25 1.521 -10.035 7.446 207 HA ARG 25 HA ARG 25 -0.227 -8.627 9.146 208 HB2 ARG 25 2HB ARG 25 2.081 -8.988 9.771 209 HB3 ARG 25 3HB ARG 25 2.642 -8.076 8.376 210 HG2 ARG 25 2HG ARG 25 1.633 -6.047 9.306 211 HG3 ARG 25 3HG ARG 25 1.100 -6.968 10.713 212 HD2 ARG 25 2HD ARG 25 3.625 -7.603 10.894 213 HD3 ARG 25 3HD ARG 25 3.860 -6.166 9.901 214 HE ARG 25 HE ARG 25 3.359 -4.870 11.720 215 HH11 ARG 25 2HH1 ARG 25 2.336 -8.142 12.332 216 HH12 ARG 25 1HH1 ARG 25 1.948 -7.848 13.994 217 HH21 ARG 25 2HH2 ARG 25 2.851 -4.471 13.908 218 HH22 ARG 25 1HH2 ARG 25 2.240 -5.759 14.890 219 H ILE 26 HN ILE 26 1.393 -7.708 6.134 220 HA ILE 26 HA ILE 26 0.530 -5.015 6.124 221 HB ILE 26 HB ILE 26 1.440 -6.835 3.902 222 HG12 ILE 26 2HG1 ILE 26 2.805 -4.397 5.031 223 HG13 ILE 26 3HG1 ILE 26 3.025 -5.996 5.732 224 HG21 ILE 26 1HG2 ILE 26 0.269 -5.404 2.589 225 HG22 ILE 26 2HG2 ILE 26 0.289 -4.113 3.790 226 HG23 ILE 26 3HG2 ILE 26 1.717 -4.420 2.801 227 HD11 ILE 26 3HD1 ILE 26 3.988 -6.817 3.705 228 HD12 ILE 26 1HD1 ILE 26 3.610 -5.314 2.863 229 HD13 ILE 26 2HD1 ILE 26 4.810 -5.323 4.156 230 H LEU 27 HN LEU 27 -0.630 -7.780 4.185 231 HA LEU 27 HA LEU 27 -2.786 -6.584 2.972 232 HB2 LEU 27 2HB LEU 27 -2.364 -9.397 3.930 233 HB3 LEU 27 3HB LEU 27 -3.829 -8.921 3.075 234 HG LEU 27 HG LEU 27 -1.056 -8.621 1.933 235 HD11 LEU 27 1HD1 LEU 27 -2.811 -10.958 2.134 236 HD12 LEU 27 2HD1 LEU 27 -1.081 -10.857 1.806 237 HD13 LEU 27 3HD1 LEU 27 -2.241 -10.604 0.502 238 HD21 LEU 27 3HD2 LEU 27 -2.260 -7.256 0.597 239 HD22 LEU 27 1HD2 LEU 27 -3.796 -8.010 1.025 240 HD23 LEU 27 2HD2 LEU 27 -2.737 -8.778 -0.158 241 H ARG 28 HN ARG 28 -2.718 -8.189 6.141 242 HA ARG 28 HA ARG 28 -5.448 -7.776 6.736 243 HB2 ARG 28 2HB ARG 28 -3.021 -8.546 8.274 244 HB3 ARG 28 3HB ARG 28 -4.408 -7.968 9.188 245 HG2 ARG 28 2HG ARG 28 -4.853 -10.063 7.130 246 HG3 ARG 28 3HG ARG 28 -4.077 -10.520 8.647 247 HD2 ARG 28 2HD ARG 28 -5.952 -9.636 9.904 248 HD3 ARG 28 3HD ARG 28 -6.712 -9.072 8.417 249 HE ARG 28 HE ARG 28 -6.329 -11.783 8.095 250 HH11 ARG 28 2HH1 ARG 28 -8.048 -9.704 10.295 251 HH12 ARG 28 1HH1 ARG 28 -9.294 -10.862 10.621 252 HH21 ARG 28 2HH2 ARG 28 -7.965 -13.316 8.515 253 HH22 ARG 28 1HH2 ARG 28 -9.246 -12.916 9.609 254 H PHE 29 HN PHE 29 -2.524 -5.969 7.635 255 HA PHE 29 HA PHE 29 -3.629 -4.053 9.277 256 HB2 PHE 29 2HB PHE 29 -1.292 -4.023 9.113 257 HB3 PHE 29 3HB PHE 29 -1.323 -3.973 7.354 258 HD1 PHE 29 1HD PHE 29 -1.967 -1.983 10.402 259 HD2 PHE 29 2HD PHE 29 -1.307 -1.929 6.198 260 HE1 PHE 29 1HE PHE 29 -1.725 0.464 10.475 261 HE2 PHE 29 2HE PHE 29 -1.063 0.518 6.264 262 HZ PHE 29 HZ PHE 29 -1.272 1.718 8.404 263 H LEU 30 HN LEU 30 -3.772 -4.306 5.795 264 HA LEU 30 HA LEU 30 -4.952 -1.670 5.500 265 HB2 LEU 30 2HB LEU 30 -4.159 -3.853 3.615 266 HB3 LEU 30 3HB LEU 30 -5.215 -2.550 3.075 267 HG LEU 30 HG LEU 30 -2.610 -1.870 4.363 268 HD11 LEU 30 1HD1 LEU 30 -1.487 -3.059 2.844 269 HD12 LEU 30 2HD1 LEU 30 -2.039 -1.852 1.683 270 HD13 LEU 30 3HD1 LEU 30 -2.932 -3.360 1.878 271 HD21 LEU 30 3HD2 LEU 30 -4.613 -0.342 3.455 272 HD22 LEU 30 1HD2 LEU 30 -3.676 -0.505 1.969 273 HD23 LEU 30 2HD2 LEU 30 -2.922 0.162 3.418 274 H ARG 31 HN ARG 31 -5.937 -5.031 5.538 275 HA ARG 31 HA ARG 31 -8.656 -4.395 4.749 276 HB2 ARG 31 2HB ARG 31 -7.118 -6.892 5.288 277 HB3 ARG 31 3HB ARG 31 -8.868 -6.947 5.453 278 HG2 ARG 31 2HG ARG 31 -9.208 -6.425 3.192 279 HG3 ARG 31 3HG ARG 31 -7.540 -5.891 2.981 280 HD2 ARG 31 2HD ARG 31 -7.413 -7.963 2.026 281 HD3 ARG 31 3HD ARG 31 -7.016 -8.373 3.694 282 HE ARG 31 HE ARG 31 -8.916 -9.625 3.769 283 HH11 ARG 31 2HH1 ARG 31 -9.237 -7.284 1.212 284 HH12 ARG 31 1HH1 ARG 31 -10.757 -7.904 0.659 285 HH21 ARG 31 2HH2 ARG 31 -10.917 -10.450 3.049 286 HH22 ARG 31 1HH2 ARG 31 -11.712 -9.704 1.705 287 H GLU 32 HN GLU 32 -6.893 -4.250 7.567 288 HA GLU 32 HA GLU 32 -9.271 -4.716 9.239 289 HB2 GLU 32 2HB GLU 32 -6.338 -4.772 9.964 290 HB3 GLU 32 3HB GLU 32 -7.646 -4.895 11.132 291 HG2 GLU 32 2HG GLU 32 -8.391 -6.869 9.535 292 HG3 GLU 32 3HG GLU 32 -6.669 -6.875 9.158 293 H ARG 33 HN ARG 33 -6.322 -2.706 9.341 294 HA ARG 33 HA ARG 33 -7.539 -0.679 10.909 295 HB2 ARG 33 2HB ARG 33 -5.068 -0.443 9.186 296 HB3 ARG 33 3HB ARG 33 -5.507 0.582 10.546 297 HG2 ARG 33 2HG ARG 33 -5.031 -2.366 10.848 298 HG3 ARG 33 3HG ARG 33 -3.732 -1.176 10.957 299 HD2 ARG 33 2HD ARG 33 -4.372 -1.475 13.172 300 HD3 ARG 33 3HD ARG 33 -5.236 -0.015 12.693 301 HE ARG 33 HE ARG 33 -6.888 -2.226 12.222 302 HH11 ARG 33 2HH1 ARG 33 -5.483 -0.470 14.880 303 HH12 ARG 33 1HH1 ARG 33 -6.764 -0.856 15.982 304 HH21 ARG 33 2HH2 ARG 33 -8.580 -2.741 13.664 305 HH22 ARG 33 1HH2 ARG 33 -8.524 -2.148 15.289 306 H VAL 34 HN VAL 34 -6.174 -0.267 7.647 307 HA VAL 34 HA VAL 34 -7.491 2.068 7.001 308 HB VAL 34 HB VAL 34 -6.810 -0.121 5.034 309 HG11 VAL 34 1HG1 VAL 34 -8.216 1.759 4.203 310 HG12 VAL 34 2HG1 VAL 34 -6.913 2.866 4.638 311 HG13 VAL 34 3HG1 VAL 34 -6.648 1.631 3.406 312 HG21 VAL 34 3HG2 VAL 34 -4.845 0.261 6.310 313 HG22 VAL 34 1HG2 VAL 34 -4.651 1.162 4.806 314 HG23 VAL 34 2HG2 VAL 34 -5.089 2.007 6.291 315 H ALA 35 HN ALA 35 -8.553 -1.271 6.453 316 HA ALA 35 HA ALA 35 -10.826 -0.856 4.963 317 HB1 ALA 35 1HB ALA 35 -10.825 -2.839 7.208 318 HB2 ALA 35 2HB ALA 35 -11.524 -2.983 5.595 319 HB3 ALA 35 3HB ALA 35 -9.774 -3.049 5.807 320 H THR 36 HN THR 36 -10.522 -0.740 8.502 321 HA THR 36 HA THR 36 -13.277 0.020 8.855 322 HB THR 36 HB THR 36 -12.828 0.096 11.197 323 HG1 THR 36 1HG THR 36 -10.522 -0.178 11.855 324 HG21 THR 36 3HG2 THR 36 -11.118 -2.067 11.200 325 HG22 THR 36 1HG2 THR 36 -11.839 -2.127 9.592 326 HG23 THR 36 2HG2 THR 36 -12.871 -2.137 11.022 327 H LEU 37 HN LEU 37 -10.177 1.636 8.677 328 HA LEU 37 HA LEU 37 -10.776 4.097 9.790 329 HB2 LEU 37 2HB LEU 37 -8.997 3.333 7.493 330 HB3 LEU 37 3HB LEU 37 -9.105 4.990 8.084 331 HG LEU 37 HG LEU 37 -8.327 2.694 9.865 332 HD11 LEU 37 1HD1 LEU 37 -6.022 4.089 9.325 333 HD12 LEU 37 2HD1 LEU 37 -6.795 3.968 7.745 334 HD13 LEU 37 3HD1 LEU 37 -6.453 2.508 8.674 335 HD21 LEU 37 3HD2 LEU 37 -7.952 4.245 11.447 336 HD22 LEU 37 1HD2 LEU 37 -9.051 5.233 10.483 337 HD23 LEU 37 2HD2 LEU 37 -7.306 5.415 10.294 338 H GLU 38 HN GLU 38 -12.486 5.328 9.378 339 HA GLU 38 HA GLU 38 -14.236 5.261 7.313 340 HB2 GLU 38 2HB GLU 38 -13.286 7.700 8.822 341 HB3 GLU 38 3HB GLU 38 -14.699 7.683 7.776 342 HG2 GLU 38 2HG GLU 38 -14.434 5.762 10.055 343 HG3 GLU 38 3HG GLU 38 -15.037 7.400 10.299 344 H ASP 39 HN ASP 39 -11.036 6.604 7.262 345 HA ASP 39 HA ASP 39 -11.330 7.108 4.392 346 HB2 ASP 39 2HB ASP 39 -10.582 9.098 6.478 347 HB3 ASP 39 3HB ASP 39 -9.710 9.155 4.948 348 HA PRO 40 HA PRO 40 -7.531 4.895 4.188 349 HB2 PRO 40 2HB PRO 40 -6.697 5.709 1.736 350 HB3 PRO 40 3HB PRO 40 -8.021 4.561 1.969 351 HG2 PRO 40 2HG PRO 40 -8.138 7.501 1.416 352 HG3 PRO 40 3HG PRO 40 -9.113 6.193 0.722 353 HD2 PRO 40 2HD PRO 40 -10.023 7.793 2.708 354 HD3 PRO 40 3HD PRO 40 -10.509 6.092 2.554 355 H ARG 41 HN ARG 41 -7.654 8.361 3.797 356 HA ARG 41 HA ARG 41 -4.772 8.653 4.003 357 HB2 ARG 41 2HB ARG 41 -6.973 10.724 3.896 358 HB3 ARG 41 3HB ARG 41 -5.251 11.078 3.875 359 HG2 ARG 41 2HG ARG 41 -5.073 9.743 1.779 360 HG3 ARG 41 3HG ARG 41 -6.833 9.610 1.780 361 HD2 ARG 41 2HD ARG 41 -5.432 12.265 1.901 362 HD3 ARG 41 3HD ARG 41 -5.788 11.467 0.370 363 HE ARG 41 HE ARG 41 -8.133 11.582 1.908 364 HH11 ARG 41 2HH1 ARG 41 -5.960 13.678 0.174 365 HH12 ARG 41 1HH1 ARG 41 -7.177 14.856 -0.188 366 HH21 ARG 41 2HH2 ARG 41 -9.744 13.127 1.438 367 HH22 ARG 41 1HH2 ARG 41 -9.329 14.542 0.532 368 H SER 42 HN SER 42 -5.473 7.336 6.185 369 HA SER 42 HA SER 42 -5.512 9.370 8.319 370 HB2 SER 42 2HB SER 42 -7.544 8.117 8.490 371 HB3 SER 42 3HB SER 42 -6.690 6.587 8.291 372 HG SER 42 HG SER 42 -7.085 8.086 10.538 373 H LEU 43 HN LEU 43 -4.390 6.094 7.504 374 HA LEU 43 HA LEU 43 -2.185 6.431 9.416 375 HB2 LEU 43 2HB LEU 43 -3.499 4.028 8.198 376 HB3 LEU 43 3HB LEU 43 -1.897 3.918 8.924 377 HG LEU 43 HG LEU 43 -4.265 4.954 10.456 378 HD11 LEU 43 1HD1 LEU 43 -4.773 2.802 11.237 379 HD12 LEU 43 2HD1 LEU 43 -3.312 2.108 10.535 380 HD13 LEU 43 3HD1 LEU 43 -4.631 2.630 9.487 381 HD21 LEU 43 3HD2 LEU 43 -1.622 3.747 11.267 382 HD22 LEU 43 1HD2 LEU 43 -2.906 4.231 12.375 383 HD23 LEU 43 2HD2 LEU 43 -2.085 5.445 11.393 384 H GLY 44 HN GLY 44 -2.314 7.642 6.724 385 HA2 GLY 44 1HA GLY 44 0.240 6.567 5.752 386 HA3 GLY 44 2HA GLY 44 -1.091 6.728 4.615 387 H GLU 45 HN GLU 45 1.230 8.017 4.074 388 HA GLU 45 HA GLU 45 0.453 10.825 4.438 389 HB2 GLU 45 2HB GLU 45 2.786 11.476 4.755 390 HB3 GLU 45 3HB GLU 45 2.274 10.359 6.012 391 HG2 GLU 45 2HG GLU 45 3.332 8.525 4.641 392 HG3 GLU 45 3HG GLU 45 4.041 9.800 3.651 393 HA PRO 46 HA PRO 46 0.954 11.052 0.073 394 HB2 PRO 46 2HB PRO 46 1.331 13.728 -0.187 395 HB3 PRO 46 3HB PRO 46 -0.241 13.011 0.188 396 HG2 PRO 46 2HG PRO 46 1.754 14.273 2.029 397 HG3 PRO 46 3HG PRO 46 -0.010 14.453 1.998 398 HD2 PRO 46 2HD PRO 46 1.258 12.828 3.755 399 HD3 PRO 46 3HD PRO 46 -0.358 12.466 3.115 400 H LEU 47 HN LEU 47 2.614 10.741 -1.283 401 HA LEU 47 HA LEU 47 5.274 10.748 -0.450 402 HB2 LEU 47 2HB LEU 47 3.888 10.542 -3.069 403 HB3 LEU 47 3HB LEU 47 5.625 10.837 -3.077 404 HG LEU 47 HG LEU 47 4.387 8.524 -1.605 405 HD11 LEU 47 1HD1 LEU 47 4.809 8.895 -4.478 406 HD12 LEU 47 2HD1 LEU 47 3.808 7.727 -3.616 407 HD13 LEU 47 3HD1 LEU 47 5.535 7.431 -3.815 408 HD21 LEU 47 3HD2 LEU 47 7.051 8.222 -2.696 409 HD22 LEU 47 1HD2 LEU 47 6.474 7.996 -1.045 410 HD23 LEU 47 2HD2 LEU 47 6.941 9.602 -1.603 411 H ARG 48 HN ARG 48 7.043 11.972 -1.704 412 HA ARG 48 HA ARG 48 6.292 14.788 -2.076 413 HB2 ARG 48 2HB ARG 48 8.280 13.640 -0.178 414 HB3 ARG 48 3HB ARG 48 8.688 15.153 -0.975 415 HG2 ARG 48 2HG ARG 48 6.277 15.838 -0.164 416 HG3 ARG 48 3HG ARG 48 6.574 14.570 1.026 417 HD2 ARG 48 2HD ARG 48 7.452 16.350 2.148 418 HD3 ARG 48 3HD ARG 48 8.885 15.829 1.262 419 HE ARG 48 HE ARG 48 7.774 17.616 -0.418 420 HH11 ARG 48 2HH1 ARG 48 8.561 17.738 2.971 421 HH12 ARG 48 1HH1 ARG 48 8.861 19.444 2.974 422 HH21 ARG 48 2HH2 ARG 48 8.166 19.863 -0.427 423 HH22 ARG 48 1HH2 ARG 48 8.635 20.652 1.040 424 H GLY 49 HN GLY 49 7.008 15.577 -3.943 425 HA2 GLY 49 1HA GLY 49 9.506 15.480 -5.025 426 HA3 GLY 49 2HA GLY 49 8.751 14.004 -5.608 427 HA PRO 50 HA PRO 50 7.453 17.988 -7.991 428 HB2 PRO 50 2HB PRO 50 9.413 18.158 -9.861 429 HB3 PRO 50 3HB PRO 50 9.483 19.012 -8.315 430 HG2 PRO 50 2HG PRO 50 10.797 16.446 -9.122 431 HG3 PRO 50 3HG PRO 50 11.468 17.805 -8.201 432 HD2 PRO 50 2HD PRO 50 10.588 15.535 -7.016 433 HD3 PRO 50 3HD PRO 50 10.476 17.125 -6.235 434 H GLU 51 HN GLU 51 8.777 14.877 -8.862 435 HA GLU 51 HA GLU 51 7.428 14.831 -11.430 436 HB2 GLU 51 2HB GLU 51 9.659 13.785 -11.129 437 HB3 GLU 51 3HB GLU 51 8.941 12.633 -10.012 438 HG2 GLU 51 2HG GLU 51 8.266 12.935 -12.929 439 HG3 GLU 51 3HG GLU 51 9.233 11.650 -12.206 440 H LEU 52 HN LEU 52 7.219 13.125 -8.322 441 HA LEU 52 HA LEU 52 4.545 12.175 -9.112 442 HB2 LEU 52 2HB LEU 52 4.952 10.521 -7.184 443 HB3 LEU 52 3HB LEU 52 5.771 10.255 -8.721 444 HG LEU 52 HG LEU 52 7.791 11.382 -7.684 445 HD11 LEU 52 1HD1 LEU 52 5.921 11.396 -5.403 446 HD12 LEU 52 2HD1 LEU 52 7.255 12.482 -5.788 447 HD13 LEU 52 3HD1 LEU 52 7.581 10.913 -5.053 448 HD21 LEU 52 3HD2 LEU 52 8.315 9.211 -7.744 449 HD22 LEU 52 1HD2 LEU 52 6.705 8.716 -7.224 450 HD23 LEU 52 2HD2 LEU 52 7.908 9.197 -6.027 451 H GLY 53 HN GLY 53 2.816 12.480 -7.745 452 HA2 GLY 53 1HA GLY 53 3.285 13.810 -5.179 453 HA3 GLY 53 2HA GLY 53 2.324 14.667 -6.375 454 H ARG 54 HN ARG 54 0.524 13.189 -7.352 455 HA ARG 54 HA ARG 54 -1.285 12.615 -5.287 456 HB2 ARG 54 2HB ARG 54 -1.234 12.134 -8.236 457 HB3 ARG 54 3HB ARG 54 -2.469 11.337 -7.271 458 HG2 ARG 54 2HG ARG 54 -2.945 13.695 -6.342 459 HG3 ARG 54 3HG ARG 54 -2.049 14.256 -7.754 460 HD2 ARG 54 2HD ARG 54 -3.612 13.390 -9.244 461 HD3 ARG 54 3HD ARG 54 -4.278 12.280 -8.047 462 HE ARG 54 HE ARG 54 -4.847 14.719 -7.020 463 HH11 ARG 54 2HH1 ARG 54 -5.396 13.232 -10.120 464 HH12 ARG 54 1HH1 ARG 54 -6.847 14.125 -10.437 465 HH21 ARG 54 2HH2 ARG 54 -6.756 15.900 -7.426 466 HH22 ARG 54 1HH2 ARG 54 -7.619 15.643 -8.905 467 H PHE 55 HN PHE 55 0.066 11.210 -3.949 468 HA PHE 55 HA PHE 55 -0.549 8.438 -4.448 469 HB2 PHE 55 2HB PHE 55 2.345 9.277 -4.174 470 HB3 PHE 55 3HB PHE 55 1.748 7.624 -4.288 471 HD1 PHE 55 1HD PHE 55 0.589 6.912 -6.418 472 HD2 PHE 55 2HD PHE 55 2.827 10.517 -6.091 473 HE1 PHE 55 1HE PHE 55 0.781 7.011 -8.869 474 HE2 PHE 55 2HE PHE 55 3.022 10.623 -8.541 475 HZ PHE 55 HZ PHE 55 1.998 8.869 -9.934 476 H TRP 56 HN TRP 56 -0.771 7.299 -2.587 477 HA TRP 56 HA TRP 56 -0.079 8.709 -0.093 478 HB2 TRP 56 2HB TRP 56 -2.564 8.178 -0.792 479 HB3 TRP 56 3HB TRP 56 -2.172 6.573 -0.183 480 HD1 TRP 56 1HD TRP 56 -2.192 6.234 2.395 481 HE1 TRP 56 1HE TRP 56 -2.670 7.767 4.406 482 HE3 TRP 56 3HE TRP 56 -2.250 10.742 -0.016 483 HZ2 TRP 56 2HZ TRP 56 -3.025 10.523 4.905 484 HZ3 TRP 56 3HZ TRP 56 -2.666 12.779 1.301 485 HH2 TRP 56 2HH TRP 56 -3.046 12.669 3.710 486 H LYS 57 HN LYS 57 1.200 7.723 1.349 487 HA LYS 57 HA LYS 57 1.928 4.915 0.829 488 HB2 LYS 57 2HB LYS 57 3.888 6.130 0.468 489 HB3 LYS 57 3HB LYS 57 3.538 7.267 1.764 490 HG2 LYS 57 2HG LYS 57 4.363 5.892 3.385 491 HG3 LYS 57 3HG LYS 57 3.985 4.421 2.486 492 HD2 LYS 57 2HD LYS 57 6.435 4.960 2.695 493 HD3 LYS 57 3HD LYS 57 5.853 4.719 1.046 494 HE2 LYS 57 2HE LYS 57 7.384 6.669 1.321 495 HE3 LYS 57 3HE LYS 57 5.807 7.075 0.646 496 HZ1 LYS 57 3HZ LYS 57 5.118 8.018 2.658 497 HZ2 LYS 57 1HZ LYS 57 6.701 8.579 2.452 498 HZ3 LYS 57 2HZ LYS 57 6.384 7.322 3.537 499 H TYR 58 HN TYR 58 1.961 3.468 2.503 500 HA TYR 58 HA TYR 58 0.818 4.426 5.041 501 HB2 TYR 58 2HB TYR 58 0.639 1.743 3.667 502 HB3 TYR 58 3HB TYR 58 0.128 2.004 5.330 503 HD1 TYR 58 1HD TYR 58 -1.661 3.815 5.733 504 HD2 TYR 58 2HD TYR 58 -0.842 2.140 1.909 505 HE1 TYR 58 1HE TYR 58 -3.870 4.554 4.943 506 HE2 TYR 58 2HE TYR 58 -3.048 2.875 1.108 507 HH TYR 58 HH TYR 58 -4.786 5.098 2.287 508 H ARG 59 HN ARG 59 1.603 3.566 7.010 509 HA ARG 59 HA ARG 59 4.389 2.641 6.837 510 HB2 ARG 59 2HB ARG 59 4.450 3.429 9.272 511 HB3 ARG 59 3HB ARG 59 4.355 4.667 8.026 512 HG2 ARG 59 2HG ARG 59 1.938 4.849 8.409 513 HG3 ARG 59 3HG ARG 59 2.064 3.638 9.686 514 HD2 ARG 59 2HD ARG 59 3.857 5.251 10.664 515 HD3 ARG 59 3HD ARG 59 3.080 6.449 9.629 516 HE ARG 59 HE ARG 59 1.096 5.145 11.104 517 HH11 ARG 59 2HH1 ARG 59 3.784 7.299 11.606 518 HH12 ARG 59 1HH1 ARG 59 3.090 8.051 13.004 519 HH21 ARG 59 2HH2 ARG 59 0.171 6.126 12.944 520 HH22 ARG 59 1HH2 ARG 59 1.035 7.382 13.765 521 H VAL 60 HN VAL 60 4.844 0.626 7.412 522 HA VAL 60 HA VAL 60 3.035 -0.759 9.278 523 HB VAL 60 HB VAL 60 4.259 -1.917 6.771 524 HG11 VAL 60 1HG1 VAL 60 3.707 -3.219 9.183 525 HG12 VAL 60 2HG1 VAL 60 2.371 -3.628 8.106 526 HG13 VAL 60 3HG1 VAL 60 4.033 -3.959 7.617 527 HG21 VAL 60 3HG2 VAL 60 2.380 -0.996 5.919 528 HG22 VAL 60 1HG2 VAL 60 1.618 -2.428 6.612 529 HG23 VAL 60 2HG2 VAL 60 1.586 -0.899 7.491 530 H GLY 61 HN GLY 61 4.561 -0.248 10.938 531 HA2 GLY 61 1HA GLY 61 6.330 -0.727 12.319 532 HA3 GLY 61 2HA GLY 61 6.385 -2.285 11.509 533 H ASP 62 HN ASP 62 7.792 -2.589 9.756 534 HA ASP 62 HA ASP 62 9.777 -0.448 9.365 535 HB2 ASP 62 2HB ASP 62 10.479 -3.381 9.388 536 HB3 ASP 62 3HB ASP 62 11.573 -2.001 9.441 537 H TYR 63 HN TYR 63 7.436 -1.186 7.775 538 HA TYR 63 HA TYR 63 8.832 -1.723 5.250 539 HB2 TYR 63 2HB TYR 63 6.281 -3.030 6.200 540 HB3 TYR 63 3HB TYR 63 6.798 -3.038 4.518 541 HD1 TYR 63 1HD TYR 63 7.781 -4.112 7.931 542 HD2 TYR 63 2HD TYR 63 8.366 -4.615 3.747 543 HE1 TYR 63 1HE TYR 63 9.148 -6.110 8.368 544 HE2 TYR 63 2HE TYR 63 9.734 -6.615 4.172 545 HH TYR 63 HH TYR 63 11.217 -7.385 6.416 546 H ARG 64 HN ARG 64 8.315 -0.360 3.649 547 HA ARG 64 HA ARG 64 6.184 1.588 4.165 548 HB2 ARG 64 2HB ARG 64 8.688 1.641 2.516 549 HB3 ARG 64 3HB ARG 64 7.377 2.758 2.164 550 HG2 ARG 64 2HG ARG 64 9.257 3.557 3.695 551 HG3 ARG 64 3HG ARG 64 7.594 3.851 4.208 552 HD2 ARG 64 2HD ARG 64 7.712 1.814 5.608 553 HD3 ARG 64 3HD ARG 64 9.404 1.630 5.149 554 HE ARG 64 HE ARG 64 9.958 3.354 6.573 555 HH11 ARG 64 2HH1 ARG 64 6.499 3.160 6.225 556 HH12 ARG 64 1HH1 ARG 64 6.176 4.260 7.525 557 HH21 ARG 64 2HH2 ARG 64 9.545 4.804 8.285 558 HH22 ARG 64 1HH2 ARG 64 7.910 5.195 8.695 559 H LEU 65 HN LEU 65 4.350 1.515 3.052 560 HA LEU 65 HA LEU 65 4.283 -0.076 0.574 561 HB2 LEU 65 2HB LEU 65 1.893 0.560 2.272 562 HB3 LEU 65 3HB LEU 65 2.066 -0.693 1.045 563 HG LEU 65 HG LEU 65 3.427 -0.692 3.739 564 HD11 LEU 65 1HD1 LEU 65 1.026 -2.203 2.723 565 HD12 LEU 65 2HD1 LEU 65 1.061 -1.010 4.020 566 HD13 LEU 65 3HD1 LEU 65 1.877 -2.559 4.227 567 HD21 LEU 65 3HD2 LEU 65 4.780 -1.884 2.198 568 HD22 LEU 65 1HD2 LEU 65 3.377 -2.665 1.466 569 HD23 LEU 65 2HD2 LEU 65 3.867 -3.090 3.107 570 H ILE 66 HN ILE 66 4.110 1.099 -1.205 571 HA ILE 66 HA ILE 66 2.979 3.792 -1.053 572 HB ILE 66 HB ILE 66 4.465 2.449 -3.314 573 HG12 ILE 66 2HG1 ILE 66 6.229 4.181 -2.638 574 HG13 ILE 66 3HG1 ILE 66 5.318 4.359 -1.142 575 HG21 ILE 66 1HG2 ILE 66 4.072 5.393 -3.121 576 HG22 ILE 66 2HG2 ILE 66 4.299 4.375 -4.542 577 HG23 ILE 66 3HG2 ILE 66 2.743 4.396 -3.712 578 HD11 ILE 66 3HD1 ILE 66 5.956 1.593 -1.851 579 HD12 ILE 66 1HD1 ILE 66 7.355 2.616 -1.525 580 HD13 ILE 66 2HD1 ILE 66 6.091 2.436 -0.308 581 H CYS 67 HN CYS 67 0.808 3.703 -1.192 582 HA CYS 67 HA CYS 67 -0.354 2.165 -3.420 583 HB2 CYS 67 2HB CYS 67 -1.913 3.079 -1.016 584 HB3 CYS 67 3HB CYS 67 -2.301 1.794 -2.154 585 HG CYS 67 HG CYS 67 0.463 1.463 -0.213 586 H HIS 68 HN HIS 68 -2.468 3.118 -4.216 587 HA HIS 68 HA HIS 68 -2.265 6.057 -4.314 588 HB2 HIS 68 2HB HIS 68 -1.591 4.809 -6.428 589 HB3 HIS 68 3HB HIS 68 -3.280 4.331 -6.572 590 HD2 HIS 68 2HD HIS 68 -2.364 7.990 -5.539 591 HE1 HIS 68 1HE HIS 68 -3.995 8.044 -9.455 592 HE2 HIS 68 2HE HIS 68 -3.120 9.435 -7.546 593 H ILE 69 HN ILE 69 -3.988 7.081 -3.555 594 HA ILE 69 HA ILE 69 -6.441 5.598 -3.064 595 HB ILE 69 HB ILE 69 -5.699 8.429 -2.315 596 HG12 ILE 69 2HG1 ILE 69 -5.897 6.017 -0.511 597 HG13 ILE 69 3HG1 ILE 69 -4.385 6.519 -1.260 598 HG21 ILE 69 1HG2 ILE 69 -8.199 7.633 -2.572 599 HG22 ILE 69 2HG2 ILE 69 -7.889 6.914 -0.993 600 HG23 ILE 69 3HG2 ILE 69 -7.695 8.651 -1.223 601 HD11 ILE 69 3HD1 ILE 69 -4.514 8.657 -0.118 602 HD12 ILE 69 1HD1 ILE 69 -6.054 8.191 0.604 603 HD13 ILE 69 2HD1 ILE 69 -4.580 7.322 1.032 604 H GLN 70 HN GLN 70 -8.246 5.768 -4.232 605 HA GLN 70 HA GLN 70 -8.386 7.909 -6.252 606 HB2 GLN 70 2HB GLN 70 -9.195 5.020 -6.365 607 HB3 GLN 70 3HB GLN 70 -9.958 6.201 -7.421 608 HG2 GLN 70 2HG GLN 70 -7.795 6.787 -8.360 609 HG3 GLN 70 3HG GLN 70 -7.004 5.645 -7.274 610 HE21 GLN 70 1HE2 GLN 70 -6.159 4.700 -9.230 611 HE22 GLN 70 2HE2 GLN 70 -7.125 3.583 -10.125 612 H ASP 71 HN ASP 71 -9.593 9.386 -5.133 613 HA ASP 71 HA ASP 71 -11.759 8.859 -3.460 614 HB2 ASP 71 2HB ASP 71 -11.447 11.319 -5.186 615 HB3 ASP 71 3HB ASP 71 -12.312 11.190 -3.657 616 H ARG 72 HN ARG 72 -11.621 9.309 -6.951 617 HA ARG 72 HA ARG 72 -14.220 9.659 -7.657 618 HB2 ARG 72 2HB ARG 72 -12.452 9.510 -9.310 619 HB3 ARG 72 3HB ARG 72 -12.214 7.805 -8.949 620 HG2 ARG 72 2HG ARG 72 -13.433 7.906 -10.966 621 HG3 ARG 72 3HG ARG 72 -14.579 7.425 -9.713 622 HD2 ARG 72 2HD ARG 72 -15.465 9.652 -9.588 623 HD3 ARG 72 3HD ARG 72 -14.215 10.257 -10.674 624 HE ARG 72 HE ARG 72 -16.631 8.872 -11.406 625 HH11 ARG 72 2HH1 ARG 72 -13.403 9.741 -12.378 626 HH12 ARG 72 1HH1 ARG 72 -13.730 9.583 -14.072 627 HH21 ARG 72 2HH2 ARG 72 -17.074 8.660 -13.633 628 HH22 ARG 72 1HH2 ARG 72 -15.819 8.969 -14.785 629 H GLU 73 HN GLU 73 -12.700 6.505 -6.996 630 HA GLU 73 HA GLU 73 -15.391 5.438 -6.448 631 HB2 GLU 73 2HB GLU 73 -13.130 4.234 -8.010 632 HB3 GLU 73 3HB GLU 73 -14.288 3.195 -7.191 633 HG2 GLU 73 2HG GLU 73 -16.110 4.276 -8.435 634 HG3 GLU 73 3HG GLU 73 -14.921 5.260 -9.287 635 H ALA 74 HN ALA 74 -13.326 6.592 -4.670 636 HA ALA 74 HA ALA 74 -12.048 6.057 -2.813 637 HB1 ALA 74 1HB ALA 74 -14.638 6.003 -2.322 638 HB2 ALA 74 2HB ALA 74 -14.302 4.306 -1.977 639 HB3 ALA 74 3HB ALA 74 -13.460 5.571 -1.083 640 H THR 75 HN THR 75 -10.938 4.544 -4.667 641 HA THR 75 HA THR 75 -10.788 1.841 -3.499 642 HB THR 75 HB THR 75 -10.203 2.678 -6.346 643 HG1 THR 75 1HG THR 75 -12.317 1.182 -5.159 644 HG21 THR 75 3HG2 THR 75 -8.965 0.663 -5.049 645 HG22 THR 75 1HG2 THR 75 -9.347 0.625 -6.770 646 HG23 THR 75 2HG2 THR 75 -10.412 -0.174 -5.613 647 H VAL 76 HN VAL 76 -8.872 1.141 -2.759 648 HA VAL 76 HA VAL 76 -6.549 2.911 -3.127 649 HB VAL 76 HB VAL 76 -7.035 0.888 -0.936 650 HG11 VAL 76 1HG1 VAL 76 -4.631 1.698 -1.780 651 HG12 VAL 76 2HG1 VAL 76 -5.007 3.026 -0.680 652 HG13 VAL 76 3HG1 VAL 76 -4.989 1.365 -0.086 653 HG21 VAL 76 3HG2 VAL 76 -7.964 2.490 0.340 654 HG22 VAL 76 1HG2 VAL 76 -6.884 3.743 -0.271 655 HG23 VAL 76 2HG2 VAL 76 -8.306 3.274 -1.202 656 H LEU 77 HN LEU 77 -5.395 2.153 -4.803 657 HA LEU 77 HA LEU 77 -4.898 -0.738 -4.977 658 HB2 LEU 77 2HB LEU 77 -5.861 0.413 -6.953 659 HB3 LEU 77 3HB LEU 77 -4.401 1.395 -7.048 660 HG LEU 77 HG LEU 77 -4.167 -1.579 -7.162 661 HD11 LEU 77 1HD1 LEU 77 -5.732 -1.472 -8.829 662 HD12 LEU 77 2HD1 LEU 77 -4.266 -1.122 -9.744 663 HD13 LEU 77 3HD1 LEU 77 -5.332 0.194 -9.252 664 HD21 LEU 77 3HD2 LEU 77 -2.063 -1.092 -7.672 665 HD22 LEU 77 1HD2 LEU 77 -2.426 0.608 -7.372 666 HD23 LEU 77 2HD2 LEU 77 -2.577 -0.051 -9.001 667 H VAL 78 HN VAL 78 -2.999 -1.492 -4.337 668 HA VAL 78 HA VAL 78 -0.891 0.241 -3.505 669 HB VAL 78 HB VAL 78 -0.754 -2.751 -3.886 670 HG11 VAL 78 1HG1 VAL 78 1.138 -2.739 -2.557 671 HG12 VAL 78 2HG1 VAL 78 1.345 -1.264 -3.503 672 HG13 VAL 78 3HG1 VAL 78 0.754 -1.173 -1.843 673 HG21 VAL 78 3HG2 VAL 78 -2.648 -2.249 -2.479 674 HG22 VAL 78 1HG2 VAL 78 -1.337 -2.879 -1.482 675 HG23 VAL 78 2HG2 VAL 78 -1.676 -1.149 -1.501 676 H LEU 79 HN LEU 79 0.869 0.909 -4.571 677 HA LEU 79 HA LEU 79 1.191 0.056 -7.349 678 HB2 LEU 79 2HB LEU 79 1.941 2.453 -5.771 679 HB3 LEU 79 3HB LEU 79 2.980 2.015 -7.126 680 HG LEU 79 HG LEU 79 0.014 2.410 -7.438 681 HD11 LEU 79 1HD1 LEU 79 2.219 4.429 -7.383 682 HD12 LEU 79 2HD1 LEU 79 0.605 4.512 -6.677 683 HD13 LEU 79 3HD1 LEU 79 0.813 4.666 -8.421 684 HD21 LEU 79 3HD2 LEU 79 0.436 2.465 -9.723 685 HD22 LEU 79 1HD2 LEU 79 1.511 1.191 -9.147 686 HD23 LEU 79 2HD2 LEU 79 2.155 2.795 -9.499 687 H ARG 80 HN ARG 80 3.276 0.699 -4.525 688 HA ARG 80 HA ARG 80 4.960 -1.557 -5.346 689 HB2 ARG 80 2HB ARG 80 6.089 0.414 -6.195 690 HB3 ARG 80 3HB ARG 80 5.956 1.205 -4.631 691 HG2 ARG 80 2HG ARG 80 7.372 -1.402 -4.773 692 HG3 ARG 80 3HG ARG 80 8.181 0.035 -5.401 693 HD2 ARG 80 2HD ARG 80 7.510 1.109 -3.148 694 HD3 ARG 80 3HD ARG 80 7.265 -0.552 -2.609 695 HE ARG 80 HE ARG 80 9.527 -0.766 -2.456 696 HH11 ARG 80 2HH1 ARG 80 8.811 1.858 -4.629 697 HH12 ARG 80 1HH1 ARG 80 10.470 2.315 -4.832 698 HH21 ARG 80 2HH2 ARG 80 11.714 -0.175 -2.716 699 HH22 ARG 80 1HH2 ARG 80 12.121 1.157 -3.744 700 H VAL 81 HN VAL 81 6.071 -2.590 -3.660 701 HA VAL 81 HA VAL 81 5.511 -1.674 -0.933 702 HB VAL 81 HB VAL 81 4.853 -4.418 -2.001 703 HG11 VAL 81 1HG1 VAL 81 4.116 -4.657 0.522 704 HG12 VAL 81 2HG1 VAL 81 5.760 -5.036 0.006 705 HG13 VAL 81 3HG1 VAL 81 5.409 -3.484 0.768 706 HG21 VAL 81 3HG2 VAL 81 3.143 -2.655 -2.285 707 HG22 VAL 81 1HG2 VAL 81 2.621 -3.946 -1.202 708 HG23 VAL 81 2HG2 VAL 81 3.150 -2.400 -0.540 709 H GLY 82 HN GLY 82 7.416 -1.507 0.041 710 HA2 GLY 82 1HA GLY 82 9.249 -3.745 0.045 711 HA3 GLY 82 2HA GLY 82 9.865 -2.313 -0.766 712 H HIS 83 HN HIS 83 10.967 -3.534 1.571 713 HA HIS 83 HA HIS 83 10.247 -2.331 3.974 714 HB2 HIS 83 2HB HIS 83 11.905 -4.215 3.631 715 HB3 HIS 83 3HB HIS 83 13.083 -2.989 3.171 716 HD2 HIS 83 2HD HIS 83 11.647 -4.615 6.321 717 HE1 HIS 83 1HE HIS 83 13.997 -1.317 7.584 718 HE2 HIS 83 2HE HIS 83 12.825 -3.430 8.295 719 H ALA 84 HN ALA 84 11.217 -0.580 5.146 720 HA ALA 84 HA ALA 84 11.182 1.861 3.981 721 HB1 ALA 84 1HB ALA 84 12.898 2.494 5.853 722 HB2 ALA 84 2HB ALA 84 11.271 1.960 6.275 723 HB3 ALA 84 3HB ALA 84 12.623 0.834 6.381 724 H ARG 85 HN ARG 85 14.017 -0.246 4.261 725 HA ARG 85 HA ARG 85 15.895 1.545 3.180 726 HB2 ARG 85 2HB ARG 85 17.286 -0.445 2.790 727 HB3 ARG 85 3HB ARG 85 16.571 -0.455 4.396 728 HG2 ARG 85 2HG ARG 85 14.876 -2.035 3.644 729 HG3 ARG 85 3HG ARG 85 15.569 -2.012 2.021 730 HD2 ARG 85 2HD ARG 85 17.279 -2.706 4.373 731 HD3 ARG 85 3HD ARG 85 16.203 -3.918 3.678 732 HE ARG 85 HE ARG 85 17.611 -2.853 1.562 733 HH11 ARG 85 2HH1 ARG 85 18.358 -4.535 4.517 734 HH12 ARG 85 1HH1 ARG 85 19.788 -5.281 3.884 735 HH21 ARG 85 2HH2 ARG 85 19.491 -3.829 0.717 736 HH22 ARG 85 1HH2 ARG 85 20.432 -4.878 1.723 737 H ASP 86 HN ASP 86 13.909 -0.967 1.653 738 HA ASP 86 HA ASP 86 14.912 -0.779 -0.935 739 HB2 ASP 86 2HB ASP 86 12.193 -1.523 0.127 740 HB3 ASP 86 3HB ASP 86 12.551 -1.550 -1.598 741 H VAL 87 HN VAL 87 12.059 0.871 0.428 742 HA VAL 87 HA VAL 87 11.548 2.459 -1.844 743 HB VAL 87 HB VAL 87 10.841 3.399 0.910 744 HG11 VAL 87 1HG1 VAL 87 9.978 4.858 -0.650 745 HG12 VAL 87 2HG1 VAL 87 9.691 3.585 -1.839 746 HG13 VAL 87 3HG1 VAL 87 8.630 3.740 -0.437 747 HG21 VAL 87 3HG2 VAL 87 10.212 1.228 1.288 748 HG22 VAL 87 1HG2 VAL 87 8.760 1.838 0.493 749 HG23 VAL 87 2HG2 VAL 87 9.936 0.894 -0.422 750 H TYR 88 HN TYR 88 11.794 4.774 -2.060 751 HA TYR 88 HA TYR 88 14.442 5.629 -1.283 752 HB2 TYR 88 2HB TYR 88 12.546 7.439 -2.711 753 HB3 TYR 88 3HB TYR 88 14.277 7.221 -2.943 754 HD1 TYR 88 1HD TYR 88 15.091 5.156 -4.137 755 HD2 TYR 88 2HD TYR 88 10.984 6.260 -4.030 756 HE1 TYR 88 1HE TYR 88 14.653 3.689 -6.062 757 HE2 TYR 88 2HE TYR 88 10.534 4.795 -5.954 758 HH TYR 88 HH TYR 88 11.718 3.775 -7.807 759 H ARG 89 HN ARG 89 11.788 5.527 0.448 760 HA ARG 89 HA ARG 89 12.405 8.023 1.862 761 HB2 ARG 89 2HB ARG 89 9.772 7.137 0.795 762 HB3 ARG 89 3HB ARG 89 9.788 7.918 2.370 763 HG2 ARG 89 2HG ARG 89 10.434 9.939 1.519 764 HG3 ARG 89 3HG ARG 89 11.237 9.218 0.123 765 HD2 ARG 89 2HD ARG 89 8.263 9.051 0.455 766 HD3 ARG 89 3HD ARG 89 9.020 10.486 -0.237 767 HE ARG 89 HE ARG 89 8.779 7.875 -1.460 768 HH11 ARG 89 2HH1 ARG 89 10.359 10.977 -1.496 769 HH12 ARG 89 1HH1 ARG 89 10.829 10.864 -3.160 770 HH21 ARG 89 2HH2 ARG 89 9.392 7.715 -3.651 771 HH22 ARG 89 1HH2 ARG 89 10.278 9.008 -4.385 Start of MODEL 2 1 H1 MET 1 HN MET 1 -16.092 7.334 2.994 2 HA MET 1 HA MET 1 -18.129 5.301 3.572 3 HB2 MET 1 2HB MET 1 -18.463 4.870 1.205 4 HB3 MET 1 3HB MET 1 -18.833 6.551 1.566 5 HG2 MET 1 2HG MET 1 -16.426 7.030 0.821 6 HG3 MET 1 3HG MET 1 -16.479 5.418 0.111 7 HE1 MET 1 3HE MET 1 -16.034 8.344 -1.417 8 HE2 MET 1 1HE MET 1 -17.525 9.063 -2.027 9 HE3 MET 1 2HE MET 1 -17.183 9.076 -0.296 10 H GLY 2 HN GLY 2 -17.538 3.139 2.714 11 HA2 GLY 2 1HA GLY 2 -14.963 2.392 3.533 12 HA3 GLY 2 2HA GLY 2 -16.065 1.384 2.607 13 H TYR 3 HN TYR 3 -13.490 1.030 2.080 14 HA TYR 3 HA TYR 3 -13.206 2.205 -0.588 15 HB2 TYR 3 2HB TYR 3 -11.153 2.258 1.610 16 HB3 TYR 3 3HB TYR 3 -10.673 2.304 -0.083 17 HD1 TYR 3 2HD TYR 3 -12.874 4.051 2.367 18 HD2 TYR 3 1HD TYR 3 -10.555 4.346 -1.188 19 HE1 TYR 3 2HE TYR 3 -13.242 6.483 2.336 20 HE2 TYR 3 1HE TYR 3 -10.915 6.779 -1.228 21 HH TYR 3 HH TYR 3 -12.413 8.433 -0.375 22 H ARG 4 HN ARG 4 -12.079 0.921 -2.080 23 HA ARG 4 HA ARG 4 -12.119 -1.909 -1.443 24 HB2 ARG 4 2HB ARG 4 -13.106 -1.305 -3.537 25 HB3 ARG 4 3HB ARG 4 -11.684 -0.385 -4.010 26 HG2 ARG 4 2HG ARG 4 -11.381 -2.287 -5.233 27 HG3 ARG 4 3HG ARG 4 -10.487 -2.704 -3.770 28 HD2 ARG 4 2HD ARG 4 -11.907 -4.552 -4.465 29 HD3 ARG 4 3HD ARG 4 -12.446 -3.899 -2.918 30 HE ARG 4 HE ARG 4 -14.405 -3.220 -3.913 31 HH11 ARG 4 2HH1 ARG 4 -12.117 -4.181 -6.354 32 HH12 ARG 4 1HH1 ARG 4 -13.277 -4.143 -7.641 33 HH21 ARG 4 2HH2 ARG 4 -15.941 -3.166 -5.598 34 HH22 ARG 4 1HH2 ARG 4 -15.451 -3.564 -7.210 35 H ILE 5 HN ILE 5 -10.366 -3.297 -1.545 36 HA ILE 5 HA ILE 5 -7.744 -1.980 -1.360 37 HB ILE 5 HB ILE 5 -8.469 -4.753 -0.416 38 HG12 ILE 5 2HG1 ILE 5 -9.764 -3.081 0.820 39 HG13 ILE 5 3HG1 ILE 5 -8.524 -3.793 1.848 40 HG21 ILE 5 1HG2 ILE 5 -6.297 -3.652 0.999 41 HG22 ILE 5 2HG2 ILE 5 -6.282 -4.998 -0.140 42 HG23 ILE 5 3HG2 ILE 5 -5.996 -3.355 -0.713 43 HD11 ILE 5 3HD1 ILE 5 -7.132 -1.833 1.563 44 HD12 ILE 5 1HD1 ILE 5 -8.322 -1.125 0.471 45 HD13 ILE 5 2HD1 ILE 5 -8.725 -1.380 2.170 46 H GLU 6 HN GLU 6 -6.869 -1.958 -3.353 47 HA GLU 6 HA GLU 6 -6.785 -4.508 -4.829 48 HB2 GLU 6 2HB GLU 6 -7.044 -1.676 -5.760 49 HB3 GLU 6 3HB GLU 6 -6.257 -2.852 -6.802 50 HG2 GLU 6 2HG GLU 6 -9.083 -2.873 -5.792 51 HG3 GLU 6 3HG GLU 6 -8.520 -2.767 -7.459 52 H PHE 7 HN PHE 7 -4.839 -4.905 -6.088 53 HA PHE 7 HA PHE 7 -2.465 -3.456 -5.159 54 HB2 PHE 7 2HB PHE 7 -3.002 -6.399 -4.909 55 HB3 PHE 7 3HB PHE 7 -1.351 -5.812 -5.082 56 HD1 PHE 7 1HD PHE 7 -4.406 -5.070 -3.071 57 HD2 PHE 7 2HD PHE 7 -0.166 -5.423 -3.161 58 HE1 PHE 7 1HE PHE 7 -4.321 -4.616 -0.655 59 HE2 PHE 7 2HE PHE 7 -0.073 -4.970 -0.745 60 HZ PHE 7 HZ PHE 7 -2.152 -4.567 0.512 61 H ASP 8 HN ASP 8 -1.194 -2.895 -6.794 62 HA ASP 8 HA ASP 8 -1.758 -3.403 -9.460 63 HB2 ASP 8 2HB ASP 8 0.570 -2.310 -7.976 64 HB3 ASP 8 3HB ASP 8 0.858 -2.823 -9.636 65 HA PRO 9 HA PRO 9 -0.093 -7.323 -10.504 66 HB2 PRO 9 2HB PRO 9 1.100 -6.859 -12.898 67 HB3 PRO 9 3HB PRO 9 -0.655 -6.886 -12.689 68 HG2 PRO 9 2HG PRO 9 1.199 -4.540 -12.834 69 HG3 PRO 9 3HG PRO 9 -0.388 -4.761 -13.594 70 HD2 PRO 9 2HD PRO 9 -0.044 -3.310 -11.335 71 HD3 PRO 9 3HD PRO 9 -1.527 -4.229 -11.663 72 H ARG 10 HN ARG 10 1.988 -4.681 -9.972 73 HA ARG 10 HA ARG 10 4.410 -6.298 -10.228 74 HB2 ARG 10 2HB ARG 10 3.873 -3.366 -9.897 75 HB3 ARG 10 3HB ARG 10 5.456 -4.020 -9.499 76 HG2 ARG 10 2HG ARG 10 4.225 -4.624 -12.150 77 HG3 ARG 10 3HG ARG 10 5.003 -3.065 -11.868 78 HD2 ARG 10 2HD ARG 10 6.974 -4.491 -10.976 79 HD3 ARG 10 3HD ARG 10 6.200 -5.810 -11.854 80 HE ARG 10 HE ARG 10 7.664 -3.619 -12.972 81 HH11 ARG 10 2HH1 ARG 10 5.120 -5.921 -13.562 82 HH12 ARG 10 1HH1 ARG 10 5.296 -5.872 -15.284 83 HH21 ARG 10 2HH2 ARG 10 7.907 -3.546 -15.239 84 HH22 ARG 10 1HH2 ARG 10 6.883 -4.521 -16.238 85 H ALA 11 HN ALA 11 2.724 -4.319 -7.800 86 HA ALA 11 HA ALA 11 4.420 -4.903 -5.644 87 HB1 ALA 11 1HB ALA 11 2.738 -3.074 -5.698 88 HB2 ALA 11 2HB ALA 11 1.474 -4.287 -5.488 89 HB3 ALA 11 3HB ALA 11 2.684 -4.046 -4.228 90 H GLU 12 HN GLU 12 1.575 -6.572 -6.898 91 HA GLU 12 HA GLU 12 1.061 -8.350 -4.855 92 HB2 GLU 12 2HB GLU 12 0.730 -8.438 -7.814 93 HB3 GLU 12 3HB GLU 12 0.530 -9.941 -6.924 94 HG2 GLU 12 2HG GLU 12 -0.970 -7.400 -6.339 95 HG3 GLU 12 3HG GLU 12 -1.584 -8.727 -7.323 96 H LYS 13 HN LYS 13 3.432 -8.655 -7.474 97 HA LYS 13 HA LYS 13 4.360 -11.223 -6.684 98 HB2 LYS 13 2HB LYS 13 5.299 -9.101 -8.563 99 HB3 LYS 13 3HB LYS 13 6.426 -10.370 -8.104 100 HG2 LYS 13 2HG LYS 13 3.692 -11.014 -9.147 101 HG3 LYS 13 3HG LYS 13 5.047 -10.690 -10.232 102 HD2 LYS 13 2HD LYS 13 5.183 -12.739 -8.032 103 HD3 LYS 13 3HD LYS 13 4.610 -13.124 -9.656 104 HE2 LYS 13 2HE LYS 13 6.751 -12.338 -10.576 105 HE3 LYS 13 3HE LYS 13 7.318 -12.001 -8.941 106 HZ1 LYS 13 3HZ LYS 13 6.585 -14.544 -8.695 107 HZ2 LYS 13 1HZ LYS 13 8.149 -14.067 -9.129 108 HZ3 LYS 13 2HZ LYS 13 7.048 -14.539 -10.322 109 H GLU 14 HN GLU 14 5.604 -7.933 -6.182 110 HA GLU 14 HA GLU 14 7.904 -8.679 -4.740 111 HB2 GLU 14 2HB GLU 14 6.310 -6.144 -4.944 112 HB3 GLU 14 3HB GLU 14 7.646 -6.267 -3.808 113 HG2 GLU 14 2HG GLU 14 8.134 -7.051 -6.628 114 HG3 GLU 14 3HG GLU 14 7.971 -5.336 -6.252 115 H LEU 15 HN LEU 15 4.574 -8.363 -3.827 116 HA LEU 15 HA LEU 15 5.011 -8.168 -1.012 117 HB2 LEU 15 2HB LEU 15 2.938 -7.469 -2.276 118 HB3 LEU 15 3HB LEU 15 2.535 -9.181 -2.388 119 HG LEU 15 HG LEU 15 1.260 -8.286 -0.605 120 HD11 LEU 15 1HD1 LEU 15 3.551 -9.497 0.884 121 HD12 LEU 15 2HD1 LEU 15 2.633 -10.460 -0.273 122 HD13 LEU 15 3HD1 LEU 15 1.817 -9.730 1.110 123 HD21 LEU 15 3HD2 LEU 15 2.616 -6.234 -0.306 124 HD22 LEU 15 1HD2 LEU 15 3.809 -7.189 0.576 125 HD23 LEU 15 2HD2 LEU 15 2.176 -7.007 1.217 126 H GLU 16 HN GLU 16 4.047 -10.831 -3.167 127 HA GLU 16 HA GLU 16 3.913 -12.815 -1.182 128 HB2 GLU 16 2HB GLU 16 4.284 -12.883 -4.161 129 HB3 GLU 16 3HB GLU 16 4.370 -14.364 -3.218 130 HG2 GLU 16 2HG GLU 16 2.096 -13.690 -2.277 131 HG3 GLU 16 3HG GLU 16 2.037 -12.525 -3.599 132 H LYS 17 HN LYS 17 6.588 -11.493 -2.995 133 HA LYS 17 HA LYS 17 8.480 -13.519 -2.509 134 HB2 LYS 17 2HB LYS 17 8.708 -10.587 -3.134 135 HB3 LYS 17 3HB LYS 17 10.138 -11.563 -2.825 136 HG2 LYS 17 2HG LYS 17 9.217 -13.119 -4.650 137 HG3 LYS 17 3HG LYS 17 8.181 -11.757 -5.081 138 HD2 LYS 17 2HD LYS 17 10.071 -10.367 -5.527 139 HD3 LYS 17 3HD LYS 17 11.180 -11.562 -4.850 140 HE2 LYS 17 2HE LYS 17 10.786 -13.064 -6.654 141 HE3 LYS 17 3HE LYS 17 9.440 -12.093 -7.249 142 HZ1 LYS 17 3HZ LYS 17 11.430 -10.315 -7.305 143 HZ2 LYS 17 1HZ LYS 17 10.998 -11.283 -8.623 144 HZ3 LYS 17 2HZ LYS 17 12.289 -11.736 -7.630 145 H LEU 18 HN LEU 18 7.509 -10.690 -0.645 146 HA LEU 18 HA LEU 18 9.540 -10.717 1.274 147 HB2 LEU 18 2HB LEU 18 6.658 -9.868 1.475 148 HB3 LEU 18 3HB LEU 18 7.852 -9.582 2.739 149 HG LEU 18 HG LEU 18 8.214 -8.534 -0.055 150 HD11 LEU 18 1HD1 LEU 18 6.086 -7.826 1.512 151 HD12 LEU 18 2HD1 LEU 18 6.822 -6.818 0.266 152 HD13 LEU 18 3HD1 LEU 18 7.299 -6.624 1.953 153 HD21 LEU 18 3HD2 LEU 18 9.974 -8.688 1.972 154 HD22 LEU 18 1HD2 LEU 18 9.220 -7.136 2.340 155 HD23 LEU 18 2HD2 LEU 18 9.980 -7.396 0.770 156 H ASP 19 HN ASP 19 9.085 -11.202 3.663 157 HA ASP 19 HA ASP 19 8.866 -13.952 4.022 158 HB2 ASP 19 2HB ASP 19 9.852 -12.130 5.584 159 HB3 ASP 19 3HB ASP 19 8.216 -12.016 6.228 160 H ARG 20 HN ARG 20 7.241 -15.327 4.575 161 HA ARG 20 HA ARG 20 4.639 -14.807 3.785 162 HB2 ARG 20 2HB ARG 20 5.754 -16.870 5.680 163 HB3 ARG 20 3HB ARG 20 4.061 -16.841 5.208 164 HG2 ARG 20 2HG ARG 20 4.700 -17.119 2.870 165 HG3 ARG 20 3HG ARG 20 6.402 -17.133 3.337 166 HD2 ARG 20 2HD ARG 20 4.310 -19.119 4.222 167 HD3 ARG 20 3HD ARG 20 5.537 -19.398 2.986 168 HE ARG 20 HE ARG 20 5.886 -19.558 5.810 169 HH11 ARG 20 2HH1 ARG 20 7.500 -18.754 2.832 170 HH12 ARG 20 1HH1 ARG 20 9.081 -19.117 3.440 171 HH21 ARG 20 2HH2 ARG 20 7.963 -20.039 6.621 172 HH22 ARG 20 1HH2 ARG 20 9.343 -19.848 5.595 173 H GLU 21 HN GLU 21 5.984 -14.794 7.077 174 HA GLU 21 HA GLU 21 3.641 -14.206 8.460 175 HB2 GLU 21 2HB GLU 21 6.526 -13.558 9.040 176 HB3 GLU 21 3HB GLU 21 5.233 -13.144 10.157 177 HG2 GLU 21 2HG GLU 21 4.622 -15.489 10.346 178 HG3 GLU 21 3HG GLU 21 5.886 -15.920 9.196 179 H VAL 22 HN VAL 22 6.084 -11.977 7.151 180 HA VAL 22 HA VAL 22 4.869 -9.592 7.972 181 HB VAL 22 HB VAL 22 6.559 -10.031 5.506 182 HG11 VAL 22 1HG1 VAL 22 6.771 -7.774 5.288 183 HG12 VAL 22 2HG1 VAL 22 5.149 -7.830 5.983 184 HG13 VAL 22 3HG1 VAL 22 6.539 -7.474 7.010 185 HG21 VAL 22 3HG2 VAL 22 7.560 -10.804 7.677 186 HG22 VAL 22 1HG2 VAL 22 8.466 -9.542 6.843 187 HG23 VAL 22 2HG2 VAL 22 7.465 -9.134 8.236 188 H ALA 23 HN ALA 23 4.701 -11.223 4.806 189 HA ALA 23 HA ALA 23 3.082 -9.577 3.395 190 HB1 ALA 23 1HB ALA 23 4.014 -11.960 2.858 191 HB2 ALA 23 2HB ALA 23 2.405 -12.481 3.360 192 HB3 ALA 23 3HB ALA 23 2.586 -11.350 2.019 193 H ARG 24 HN ARG 24 1.870 -12.131 5.574 194 HA ARG 24 HA ARG 24 -0.843 -11.473 5.343 195 HB2 ARG 24 2HB ARG 24 0.704 -12.847 7.539 196 HB3 ARG 24 3HB ARG 24 -1.047 -12.677 7.567 197 HG2 ARG 24 2HG ARG 24 -1.257 -13.980 5.557 198 HG3 ARG 24 3HG ARG 24 0.497 -14.048 5.377 199 HD2 ARG 24 2HD ARG 24 0.696 -15.341 7.405 200 HD3 ARG 24 3HD ARG 24 -1.031 -15.174 7.720 201 HE ARG 24 HE ARG 24 -0.849 -16.359 5.249 202 HH11 ARG 24 2HH1 ARG 24 0.239 -17.093 8.473 203 HH12 ARG 24 1HH1 ARG 24 0.168 -18.810 8.247 204 HH21 ARG 24 2HH2 ARG 24 -0.947 -18.617 4.939 205 HH22 ARG 24 1HH2 ARG 24 -0.506 -19.675 6.236 206 H ARG 25 HN ARG 25 1.655 -10.322 7.555 207 HA ARG 25 HA ARG 25 0.020 -8.894 9.320 208 HB2 ARG 25 2HB ARG 25 2.284 -9.264 9.939 209 HB3 ARG 25 3HB ARG 25 2.885 -8.513 8.467 210 HG2 ARG 25 2HG ARG 25 2.509 -6.377 9.240 211 HG3 ARG 25 3HG ARG 25 1.278 -6.899 10.393 212 HD2 ARG 25 2HD ARG 25 4.241 -7.427 10.599 213 HD3 ARG 25 3HD ARG 25 3.337 -6.231 11.527 214 HE ARG 25 HE ARG 25 3.482 -9.050 12.019 215 HH11 ARG 25 2HH1 ARG 25 1.525 -6.197 12.405 216 HH12 ARG 25 1HH1 ARG 25 0.667 -6.812 13.778 217 HH21 ARG 25 2HH2 ARG 25 2.360 -9.871 13.827 218 HH22 ARG 25 1HH2 ARG 25 1.144 -8.902 14.587 219 H ILE 26 HN ILE 26 1.445 -7.982 6.224 220 HA ILE 26 HA ILE 26 0.699 -5.245 6.340 221 HB ILE 26 HB ILE 26 1.268 -6.959 3.919 222 HG12 ILE 26 2HG1 ILE 26 3.122 -5.026 5.312 223 HG13 ILE 26 3HG1 ILE 26 3.087 -6.746 5.685 224 HG21 ILE 26 1HG2 ILE 26 0.100 -4.491 3.946 225 HG22 ILE 26 2HG2 ILE 26 1.809 -4.090 3.781 226 HG23 ILE 26 3HG2 ILE 26 1.037 -5.158 2.609 227 HD11 ILE 26 3HD1 ILE 26 4.723 -5.621 3.873 228 HD12 ILE 26 1HD1 ILE 26 4.191 -7.301 3.816 229 HD13 ILE 26 2HD1 ILE 26 3.370 -6.083 2.839 230 H LEU 27 HN LEU 27 -0.649 -7.914 4.388 231 HA LEU 27 HA LEU 27 -2.820 -6.652 3.309 232 HB2 LEU 27 2HB LEU 27 -2.576 -9.476 4.320 233 HB3 LEU 27 3HB LEU 27 -3.950 -8.899 3.379 234 HG LEU 27 HG LEU 27 -1.119 -8.807 2.360 235 HD11 LEU 27 1HD1 LEU 27 -2.518 -11.124 2.914 236 HD12 LEU 27 2HD1 LEU 27 -1.168 -10.957 1.792 237 HD13 LEU 27 3HD1 LEU 27 -2.825 -10.844 1.200 238 HD21 LEU 27 3HD2 LEU 27 -3.737 -8.002 1.368 239 HD22 LEU 27 1HD2 LEU 27 -2.866 -9.056 0.254 240 HD23 LEU 27 2HD2 LEU 27 -2.124 -7.555 0.809 241 H ARG 28 HN ARG 28 -2.884 -8.512 6.355 242 HA ARG 28 HA ARG 28 -5.474 -7.916 7.122 243 HB2 ARG 28 2HB ARG 28 -2.985 -8.611 8.631 244 HB3 ARG 28 3HB ARG 28 -4.422 -8.130 9.524 245 HG2 ARG 28 2HG ARG 28 -5.677 -9.926 8.338 246 HG3 ARG 28 3HG ARG 28 -4.146 -10.457 7.638 247 HD2 ARG 28 2HD ARG 28 -4.613 -11.806 9.565 248 HD3 ARG 28 3HD ARG 28 -3.259 -10.742 9.941 249 HE ARG 28 HE ARG 28 -5.818 -9.696 10.734 250 HH11 ARG 28 2HH1 ARG 28 -3.127 -11.704 11.656 251 HH12 ARG 28 1HH1 ARG 28 -3.412 -11.530 13.356 252 HH21 ARG 28 2HH2 ARG 28 -6.203 -9.460 12.970 253 HH22 ARG 28 1HH2 ARG 28 -5.163 -10.254 14.102 254 H PHE 29 HN PHE 29 -2.494 -6.115 7.812 255 HA PHE 29 HA PHE 29 -3.527 -4.157 9.476 256 HB2 PHE 29 2HB PHE 29 -1.197 -4.166 9.273 257 HB3 PHE 29 3HB PHE 29 -1.254 -4.175 7.514 258 HD1 PHE 29 1HD PHE 29 -1.817 -2.070 10.500 259 HD2 PHE 29 2HD PHE 29 -1.211 -2.174 6.289 260 HE1 PHE 29 1HE PHE 29 -1.527 0.374 10.485 261 HE2 PHE 29 2HE PHE 29 -0.918 0.268 6.266 262 HZ PHE 29 HZ PHE 29 -1.076 1.546 8.366 263 H LEU 30 HN LEU 30 -3.710 -4.457 5.993 264 HA LEU 30 HA LEU 30 -4.879 -1.816 5.688 265 HB2 LEU 30 2HB LEU 30 -4.278 -4.027 3.736 266 HB3 LEU 30 3HB LEU 30 -5.068 -2.519 3.281 267 HG LEU 30 HG LEU 30 -2.400 -2.441 4.627 268 HD11 LEU 30 1HD1 LEU 30 -2.841 -3.874 2.262 269 HD12 LEU 30 2HD1 LEU 30 -1.297 -3.351 2.933 270 HD13 LEU 30 3HD1 LEU 30 -2.145 -2.330 1.772 271 HD21 LEU 30 3HD2 LEU 30 -3.091 -0.673 2.384 272 HD22 LEU 30 1HD2 LEU 30 -2.362 -0.300 3.946 273 HD23 LEU 30 2HD2 LEU 30 -4.109 -0.504 3.814 274 H ARG 31 HN ARG 31 -5.868 -5.176 5.744 275 HA ARG 31 HA ARG 31 -8.573 -4.576 4.914 276 HB2 ARG 31 2HB ARG 31 -7.066 -7.047 5.651 277 HB3 ARG 31 3HB ARG 31 -8.822 -7.078 5.720 278 HG2 ARG 31 2HG ARG 31 -8.417 -7.840 3.592 279 HG3 ARG 31 3HG ARG 31 -8.671 -6.117 3.312 280 HD2 ARG 31 2HD ARG 31 -6.362 -5.711 3.076 281 HD3 ARG 31 3HD ARG 31 -5.938 -7.280 3.761 282 HE ARG 31 HE ARG 31 -6.724 -6.720 1.036 283 HH11 ARG 31 2HH1 ARG 31 -6.300 -9.138 3.504 284 HH12 ARG 31 1HH1 ARG 31 -6.160 -10.448 2.380 285 HH21 ARG 31 2HH2 ARG 31 -6.542 -8.436 -0.455 286 HH22 ARG 31 1HH2 ARG 31 -6.297 -10.048 0.128 287 H GLU 32 HN GLU 32 -6.865 -4.275 7.752 288 HA GLU 32 HA GLU 32 -9.293 -4.604 9.389 289 HB2 GLU 32 2HB GLU 32 -6.379 -4.829 10.141 290 HB3 GLU 32 3HB GLU 32 -7.672 -4.732 11.328 291 HG2 GLU 32 2HG GLU 32 -6.986 -6.937 9.448 292 HG3 GLU 32 3HG GLU 32 -7.335 -6.996 11.175 293 H ARG 33 HN ARG 33 -6.243 -2.769 9.628 294 HA ARG 33 HA ARG 33 -7.396 -0.622 11.046 295 HB2 ARG 33 2HB ARG 33 -4.887 -0.543 9.364 296 HB3 ARG 33 3HB ARG 33 -5.301 0.524 10.699 297 HG2 ARG 33 2HG ARG 33 -5.085 -2.414 11.167 298 HG3 ARG 33 3HG ARG 33 -3.626 -1.427 11.058 299 HD2 ARG 33 2HD ARG 33 -4.078 -0.301 12.994 300 HD3 ARG 33 3HD ARG 33 -5.824 -0.472 12.812 301 HE ARG 33 HE ARG 33 -4.021 -2.303 14.121 302 HH11 ARG 33 2HH1 ARG 33 -7.134 -1.889 12.619 303 HH12 ARG 33 1HH1 ARG 33 -7.855 -3.234 13.440 304 HH21 ARG 33 2HH2 ARG 33 -4.958 -4.076 15.208 305 HH22 ARG 33 1HH2 ARG 33 -6.616 -4.477 14.913 306 H VAL 34 HN VAL 34 -5.979 -0.417 7.782 307 HA VAL 34 HA VAL 34 -7.174 1.970 7.048 308 HB VAL 34 HB VAL 34 -6.447 -0.329 5.227 309 HG11 VAL 34 1HG1 VAL 34 -6.517 2.571 4.469 310 HG12 VAL 34 2HG1 VAL 34 -6.503 1.150 3.423 311 HG13 VAL 34 3HG1 VAL 34 -7.953 1.555 4.342 312 HG21 VAL 34 3HG2 VAL 34 -4.844 1.455 6.808 313 HG22 VAL 34 1HG2 VAL 34 -4.341 0.107 5.788 314 HG23 VAL 34 2HG2 VAL 34 -4.533 1.716 5.092 315 H ALA 35 HN ALA 35 -8.370 -1.337 6.646 316 HA ALA 35 HA ALA 35 -10.598 -0.851 5.073 317 HB1 ALA 35 1HB ALA 35 -9.736 -3.089 5.722 318 HB2 ALA 35 2HB ALA 35 -10.453 -2.857 7.317 319 HB3 ALA 35 3HB ALA 35 -11.485 -2.925 5.889 320 H THR 36 HN THR 36 -10.410 -0.890 8.631 321 HA THR 36 HA THR 36 -13.110 -0.063 8.994 322 HB THR 36 HB THR 36 -12.557 0.210 11.339 323 HG1 THR 36 1HG THR 36 -10.599 0.766 11.895 324 HG21 THR 36 3HG2 THR 36 -11.781 -2.176 9.827 325 HG22 THR 36 1HG2 THR 36 -12.816 -2.022 11.247 326 HG23 THR 36 2HG2 THR 36 -11.063 -2.079 11.435 327 H LEU 37 HN LEU 37 -10.011 1.621 8.903 328 HA LEU 37 HA LEU 37 -10.661 4.098 9.864 329 HB2 LEU 37 2HB LEU 37 -8.882 3.262 7.600 330 HB3 LEU 37 3HB LEU 37 -9.050 4.957 8.052 331 HG LEU 37 HG LEU 37 -8.088 2.780 9.906 332 HD11 LEU 37 1HD1 LEU 37 -6.118 2.924 8.903 333 HD12 LEU 37 2HD1 LEU 37 -6.050 4.629 9.345 334 HD13 LEU 37 3HD1 LEU 37 -6.730 4.149 7.791 335 HD21 LEU 37 3HD2 LEU 37 -9.022 4.542 11.179 336 HD22 LEU 37 1HD2 LEU 37 -8.299 5.772 10.142 337 HD23 LEU 37 2HD2 LEU 37 -7.276 4.795 11.196 338 H GLU 38 HN GLU 38 -12.267 5.437 9.409 339 HA GLU 38 HA GLU 38 -14.067 5.215 7.333 340 HB2 GLU 38 2HB GLU 38 -13.248 7.648 8.921 341 HB3 GLU 38 3HB GLU 38 -14.608 7.636 7.808 342 HG2 GLU 38 2HG GLU 38 -15.669 7.222 9.783 343 HG3 GLU 38 3HG GLU 38 -15.369 5.578 9.223 344 H ASP 39 HN ASP 39 -10.948 6.765 7.374 345 HA ASP 39 HA ASP 39 -11.253 7.343 4.509 346 HB2 ASP 39 2HB ASP 39 -9.582 9.324 5.158 347 HB3 ASP 39 3HB ASP 39 -11.332 9.525 5.185 348 HA PRO 40 HA PRO 40 -7.534 4.979 4.226 349 HB2 PRO 40 2HB PRO 40 -6.876 5.636 1.675 350 HB3 PRO 40 3HB PRO 40 -8.185 4.516 2.071 351 HG2 PRO 40 2HG PRO 40 -8.328 7.418 1.352 352 HG3 PRO 40 3HG PRO 40 -9.356 6.079 0.810 353 HD2 PRO 40 2HD PRO 40 -10.114 7.804 2.756 354 HD3 PRO 40 3HD PRO 40 -10.617 6.101 2.740 355 H ARG 41 HN ARG 41 -7.722 8.354 4.210 356 HA ARG 41 HA ARG 41 -4.822 8.690 3.944 357 HB2 ARG 41 2HB ARG 41 -7.150 10.582 3.824 358 HB3 ARG 41 3HB ARG 41 -5.527 11.185 4.129 359 HG2 ARG 41 2HG ARG 41 -4.761 10.223 2.026 360 HG3 ARG 41 3HG ARG 41 -6.380 9.589 1.722 361 HD2 ARG 41 2HD ARG 41 -6.086 12.497 2.269 362 HD3 ARG 41 3HD ARG 41 -5.563 11.890 0.698 363 HE ARG 41 HE ARG 41 -8.086 10.853 1.125 364 HH11 ARG 41 2HH1 ARG 41 -6.636 14.006 0.848 365 HH12 ARG 41 1HH1 ARG 41 -8.060 14.747 0.197 366 HH21 ARG 41 2HH2 ARG 41 -9.967 11.817 0.269 367 HH22 ARG 41 1HH2 ARG 41 -9.955 13.501 -0.132 368 H SER 42 HN SER 42 -5.579 7.344 6.216 369 HA SER 42 HA SER 42 -5.277 9.366 8.339 370 HB2 SER 42 2HB SER 42 -7.345 7.761 8.255 371 HB3 SER 42 3HB SER 42 -6.212 6.568 8.889 372 HG SER 42 HG SER 42 -6.012 7.701 10.721 373 H LEU 43 HN LEU 43 -4.327 6.083 7.368 374 HA LEU 43 HA LEU 43 -2.028 6.237 9.180 375 HB2 LEU 43 2HB LEU 43 -3.387 3.977 7.750 376 HB3 LEU 43 3HB LEU 43 -1.777 3.789 8.442 377 HG LEU 43 HG LEU 43 -4.180 4.620 10.058 378 HD11 LEU 43 1HD1 LEU 43 -4.649 2.433 10.589 379 HD12 LEU 43 2HD1 LEU 43 -3.047 1.861 10.123 380 HD13 LEU 43 3HD1 LEU 43 -4.225 2.290 8.883 381 HD21 LEU 43 3HD2 LEU 43 -2.117 5.219 11.103 382 HD22 LEU 43 1HD2 LEU 43 -1.419 3.636 10.759 383 HD23 LEU 43 2HD2 LEU 43 -2.739 3.784 11.920 384 H GLY 44 HN GLY 44 -2.111 7.801 6.751 385 HA2 GLY 44 1HA GLY 44 0.445 7.017 5.681 386 HA3 GLY 44 2HA GLY 44 -0.869 6.841 4.529 387 H GLU 45 HN GLU 45 1.260 8.544 4.050 388 HA GLU 45 HA GLU 45 -0.056 11.172 4.239 389 HB2 GLU 45 2HB GLU 45 2.044 12.261 4.537 390 HB3 GLU 45 3HB GLU 45 1.969 10.956 5.713 391 HG2 GLU 45 2HG GLU 45 3.291 9.569 4.069 392 HG3 GLU 45 3HG GLU 45 3.549 11.059 3.164 393 HA PRO 46 HA PRO 46 0.219 11.357 -0.142 394 HB2 PRO 46 2HB PRO 46 0.325 14.045 -0.504 395 HB3 PRO 46 3HB PRO 46 -1.147 13.199 -0.013 396 HG2 PRO 46 2HG PRO 46 0.822 14.705 1.666 397 HG3 PRO 46 3HG PRO 46 -0.950 14.719 1.736 398 HD2 PRO 46 2HD PRO 46 0.565 13.282 3.460 399 HD3 PRO 46 3HD PRO 46 -1.043 12.750 2.930 400 H LEU 47 HN LEU 47 1.659 11.710 -1.850 401 HA LEU 47 HA LEU 47 4.426 11.842 -1.095 402 HB2 LEU 47 2HB LEU 47 2.902 11.320 -3.589 403 HB3 LEU 47 3HB LEU 47 4.578 11.840 -3.745 404 HG LEU 47 HG LEU 47 4.277 9.382 -3.842 405 HD11 LEU 47 1HD1 LEU 47 6.415 9.592 -3.240 406 HD12 LEU 47 2HD1 LEU 47 5.870 9.152 -1.622 407 HD13 LEU 47 3HD1 LEU 47 6.054 10.850 -2.059 408 HD21 LEU 47 3HD2 LEU 47 3.056 9.893 -1.178 409 HD22 LEU 47 1HD2 LEU 47 3.978 8.407 -1.412 410 HD23 LEU 47 2HD2 LEU 47 2.586 8.752 -2.439 411 H ARG 48 HN ARG 48 5.954 13.380 -1.719 412 HA ARG 48 HA ARG 48 4.863 15.933 -2.702 413 HB2 ARG 48 2HB ARG 48 6.978 15.586 -0.568 414 HB3 ARG 48 3HB ARG 48 6.393 17.120 -1.199 415 HG2 ARG 48 2HG ARG 48 4.084 16.339 -0.396 416 HG3 ARG 48 3HG ARG 48 4.978 15.146 0.549 417 HD2 ARG 48 2HD ARG 48 5.815 18.000 0.686 418 HD3 ARG 48 3HD ARG 48 4.357 17.506 1.547 419 HE ARG 48 HE ARG 48 5.661 16.322 3.034 420 HH11 ARG 48 2HH1 ARG 48 7.592 17.385 0.339 421 HH12 ARG 48 1HH1 ARG 48 9.098 16.969 1.087 422 HH21 ARG 48 2HH2 ARG 48 7.638 15.771 4.029 423 HH22 ARG 48 1HH2 ARG 48 9.123 16.051 3.186 424 H GLY 49 HN GLY 49 5.576 15.565 -4.806 425 HA2 GLY 49 1HA GLY 49 8.438 16.002 -5.181 426 HA3 GLY 49 2HA GLY 49 7.761 14.548 -5.899 427 HA PRO 50 HA PRO 50 7.189 18.473 -8.577 428 HB2 PRO 50 2HB PRO 50 9.294 18.175 -10.266 429 HB3 PRO 50 3HB PRO 50 9.386 19.116 -8.773 430 HG2 PRO 50 2HG PRO 50 10.295 16.314 -9.304 431 HG3 PRO 50 3HG PRO 50 11.115 17.605 -8.407 432 HD2 PRO 50 2HD PRO 50 9.762 15.607 -7.177 433 HD3 PRO 50 3HD PRO 50 9.866 17.246 -6.503 434 H GLU 51 HN GLU 51 8.437 15.267 -9.470 435 HA GLU 51 HA GLU 51 7.106 15.247 -12.007 436 HB2 GLU 51 2HB GLU 51 8.325 12.959 -10.450 437 HB3 GLU 51 3HB GLU 51 7.849 12.915 -12.142 438 HG2 GLU 51 2HG GLU 51 9.625 14.186 -12.823 439 HG3 GLU 51 3HG GLU 51 9.799 14.978 -11.258 440 H LEU 52 HN LEU 52 6.733 12.954 -9.308 441 HA LEU 52 HA LEU 52 4.347 11.841 -10.007 442 HB2 LEU 52 2HB LEU 52 3.957 11.489 -7.560 443 HB3 LEU 52 3HB LEU 52 5.530 10.963 -8.157 444 HG LEU 52 HG LEU 52 6.228 13.384 -7.299 445 HD11 LEU 52 1HD1 LEU 52 3.733 12.688 -5.796 446 HD12 LEU 52 2HD1 LEU 52 4.216 14.231 -6.501 447 HD13 LEU 52 3HD1 LEU 52 5.016 13.637 -5.046 448 HD21 LEU 52 3HD2 LEU 52 7.009 11.042 -6.620 449 HD22 LEU 52 1HD2 LEU 52 5.858 11.184 -5.291 450 HD23 LEU 52 2HD2 LEU 52 7.183 12.340 -5.438 451 H GLY 53 HN GLY 53 2.149 12.165 -9.291 452 HA2 GLY 53 1HA GLY 53 1.514 15.033 -9.029 453 HA3 GLY 53 2HA GLY 53 0.464 13.836 -9.772 454 H ARG 54 HN ARG 54 -0.068 11.953 -8.168 455 HA ARG 54 HA ARG 54 -0.408 12.904 -5.435 456 HB2 ARG 54 2HB ARG 54 -2.632 12.467 -7.384 457 HB3 ARG 54 3HB ARG 54 -2.892 12.055 -5.694 458 HG2 ARG 54 2HG ARG 54 -1.931 14.482 -5.315 459 HG3 ARG 54 3HG ARG 54 -2.513 14.708 -6.966 460 HD2 ARG 54 2HD ARG 54 -4.295 13.441 -4.933 461 HD3 ARG 54 3HD ARG 54 -4.080 15.191 -4.928 462 HE ARG 54 HE ARG 54 -5.489 13.610 -6.897 463 HH11 ARG 54 2HH1 ARG 54 -3.989 16.660 -6.145 464 HH12 ARG 54 1HH1 ARG 54 -4.875 17.540 -7.346 465 HH21 ARG 54 2HH2 ARG 54 -6.662 14.757 -8.481 466 HH22 ARG 54 1HH2 ARG 54 -6.396 16.457 -8.673 467 H PHE 55 HN PHE 55 0.107 11.305 -4.108 468 HA PHE 55 HA PHE 55 -0.812 8.611 -4.568 469 HB2 PHE 55 2HB PHE 55 2.130 9.286 -4.669 470 HB3 PHE 55 3HB PHE 55 1.523 7.659 -4.378 471 HD1 PHE 55 1HD PHE 55 -0.629 7.310 -6.215 472 HD2 PHE 55 2HD PHE 55 3.038 9.398 -6.772 473 HE1 PHE 55 1HE PHE 55 -0.787 6.934 -8.641 474 HE2 PHE 55 2HE PHE 55 2.885 9.027 -9.199 475 HZ PHE 55 HZ PHE 55 0.970 7.794 -10.137 476 H TRP 56 HN TRP 56 -0.995 7.466 -2.699 477 HA TRP 56 HA TRP 56 -0.193 8.867 -0.245 478 HB2 TRP 56 2HB TRP 56 -2.654 8.097 -0.858 479 HB3 TRP 56 3HB TRP 56 -2.089 6.560 -0.209 480 HD1 TRP 56 1HD TRP 56 -1.969 6.324 2.380 481 HE1 TRP 56 1HE TRP 56 -2.526 7.880 4.353 482 HE3 TRP 56 3HE TRP 56 -2.583 10.702 -0.188 483 HZ2 TRP 56 2HZ TRP 56 -3.144 10.603 4.766 484 HZ3 TRP 56 3HZ TRP 56 -3.156 12.737 1.071 485 HH2 TRP 56 2HH TRP 56 -3.431 12.686 3.497 486 H LYS 57 HN LYS 57 0.836 7.772 1.440 487 HA LYS 57 HA LYS 57 1.865 5.090 0.814 488 HB2 LYS 57 2HB LYS 57 4.064 5.654 1.222 489 HB3 LYS 57 3HB LYS 57 3.482 7.119 0.442 490 HG2 LYS 57 2HG LYS 57 3.092 8.076 2.720 491 HG3 LYS 57 3HG LYS 57 3.909 6.658 3.383 492 HD2 LYS 57 2HD LYS 57 5.535 8.387 3.226 493 HD3 LYS 57 3HD LYS 57 5.876 7.240 1.928 494 HE2 LYS 57 2HE LYS 57 5.232 8.696 0.288 495 HE3 LYS 57 3HE LYS 57 4.080 9.530 1.329 496 HZ1 LYS 57 3HZ LYS 57 6.061 10.867 0.748 497 HZ2 LYS 57 1HZ LYS 57 7.027 9.764 1.593 498 HZ3 LYS 57 2HZ LYS 57 5.857 10.667 2.415 499 H TYR 58 HN TYR 58 1.755 3.674 2.450 500 HA TYR 58 HA TYR 58 0.911 4.700 5.073 501 HB2 TYR 58 2HB TYR 58 0.568 1.938 3.888 502 HB3 TYR 58 3HB TYR 58 -0.017 2.454 5.466 503 HD1 TYR 58 2HD TYR 58 -0.461 2.843 1.827 504 HD2 TYR 58 1HD TYR 58 -2.022 3.739 5.682 505 HE1 TYR 58 2HE TYR 58 -2.563 3.593 0.795 506 HE2 TYR 58 1HE TYR 58 -4.129 4.491 4.661 507 HH TYR 58 HH TYR 58 -5.388 4.254 2.652 508 H ARG 59 HN ARG 59 1.711 3.603 6.986 509 HA ARG 59 HA ARG 59 4.406 2.475 6.593 510 HB2 ARG 59 2HB ARG 59 4.672 4.644 7.552 511 HB3 ARG 59 3HB ARG 59 3.389 4.356 8.720 512 HG2 ARG 59 2HG ARG 59 4.718 3.062 10.069 513 HG3 ARG 59 3HG ARG 59 5.792 2.598 8.748 514 HD2 ARG 59 2HD ARG 59 6.560 4.998 8.686 515 HD3 ARG 59 3HD ARG 59 5.661 5.241 10.183 516 HE ARG 59 HE ARG 59 8.193 3.947 9.886 517 HH11 ARG 59 2HH1 ARG 59 5.283 4.050 11.794 518 HH12 ARG 59 1HH1 ARG 59 6.041 3.426 13.222 519 HH21 ARG 59 2HH2 ARG 59 9.202 3.124 11.759 520 HH22 ARG 59 1HH2 ARG 59 8.270 2.901 13.201 521 H VAL 60 HN VAL 60 4.659 0.469 7.306 522 HA VAL 60 HA VAL 60 2.841 -0.517 9.408 523 HB VAL 60 HB VAL 60 3.971 -2.071 7.076 524 HG11 VAL 60 1HG1 VAL 60 1.888 -3.328 8.681 525 HG12 VAL 60 2HG1 VAL 60 3.413 -3.986 8.086 526 HG13 VAL 60 3HG1 VAL 60 3.379 -3.043 9.577 527 HG21 VAL 60 3HG2 VAL 60 2.198 -1.193 6.024 528 HG22 VAL 60 1HG2 VAL 60 1.247 -2.311 7.001 529 HG23 VAL 60 2HG2 VAL 60 1.460 -0.642 7.528 530 H GLY 61 HN GLY 61 4.252 -0.163 11.113 531 HA2 GLY 61 1HA GLY 61 5.979 -0.625 12.553 532 HA3 GLY 61 2HA GLY 61 6.046 -2.193 11.763 533 H ASP 62 HN ASP 62 7.397 -2.424 9.879 534 HA ASP 62 HA ASP 62 9.455 -0.344 9.605 535 HB2 ASP 62 2HB ASP 62 11.040 -2.428 9.286 536 HB3 ASP 62 3HB ASP 62 10.684 -1.807 10.896 537 H TYR 63 HN TYR 63 7.147 -1.046 7.960 538 HA TYR 63 HA TYR 63 8.593 -1.653 5.474 539 HB2 TYR 63 2HB TYR 63 5.933 -2.788 6.345 540 HB3 TYR 63 3HB TYR 63 6.521 -2.858 4.688 541 HD1 TYR 63 1HD TYR 63 7.222 -3.970 8.149 542 HD2 TYR 63 2HD TYR 63 8.083 -4.503 4.017 543 HE1 TYR 63 1HE TYR 63 8.441 -6.040 8.677 544 HE2 TYR 63 2HE TYR 63 9.303 -6.575 4.532 545 HH TYR 63 HH TYR 63 9.305 -7.954 7.756 546 H ARG 64 HN ARG 64 7.844 -0.605 3.622 547 HA ARG 64 HA ARG 64 5.959 1.600 4.139 548 HB2 ARG 64 2HB ARG 64 8.341 1.473 2.286 549 HB3 ARG 64 3HB ARG 64 7.165 2.781 2.276 550 HG2 ARG 64 2HG ARG 64 8.688 2.025 4.748 551 HG3 ARG 64 3HG ARG 64 9.321 3.164 3.558 552 HD2 ARG 64 2HD ARG 64 7.382 4.595 3.865 553 HD3 ARG 64 3HD ARG 64 6.686 3.438 4.999 554 HE ARG 64 HE ARG 64 9.138 4.071 6.043 555 HH11 ARG 64 2HH1 ARG 64 6.289 5.846 5.119 556 HH12 ARG 64 1HH1 ARG 64 6.524 7.093 6.299 557 HH21 ARG 64 2HH2 ARG 64 9.458 5.706 7.601 558 HH22 ARG 64 1HH2 ARG 64 8.328 7.012 7.710 559 H LEU 65 HN LEU 65 4.161 1.688 2.953 560 HA LEU 65 HA LEU 65 4.018 0.030 0.520 561 HB2 LEU 65 2HB LEU 65 1.643 0.667 2.233 562 HB3 LEU 65 3HB LEU 65 1.821 -0.599 1.020 563 HG LEU 65 HG LEU 65 3.103 -0.547 3.751 564 HD11 LEU 65 1HD1 LEU 65 1.107 -2.537 2.738 565 HD12 LEU 65 2HD1 LEU 65 0.593 -1.027 3.490 566 HD13 LEU 65 3HD1 LEU 65 1.574 -2.175 4.399 567 HD21 LEU 65 3HD2 LEU 65 4.635 -1.867 2.797 568 HD22 LEU 65 1HD2 LEU 65 3.672 -2.084 1.335 569 HD23 LEU 65 2HD2 LEU 65 3.358 -3.084 2.754 570 H ILE 66 HN ILE 66 3.951 1.298 -1.208 571 HA ILE 66 HA ILE 66 2.756 3.958 -1.016 572 HB ILE 66 HB ILE 66 4.202 2.773 -3.383 573 HG12 ILE 66 2HG1 ILE 66 5.827 2.696 -1.683 574 HG13 ILE 66 3HG1 ILE 66 6.123 4.232 -2.489 575 HG21 ILE 66 1HG2 ILE 66 2.992 4.655 -4.079 576 HG22 ILE 66 2HG2 ILE 66 3.355 5.544 -2.601 577 HG23 ILE 66 3HG2 ILE 66 4.624 5.258 -3.791 578 HD11 ILE 66 3HD1 ILE 66 6.274 4.709 -0.215 579 HD12 ILE 66 1HD1 ILE 66 4.664 5.264 -0.673 580 HD13 ILE 66 2HD1 ILE 66 4.860 3.731 0.178 581 H CYS 67 HN CYS 67 0.595 3.864 -1.234 582 HA CYS 67 HA CYS 67 -0.478 2.388 -3.548 583 HB2 CYS 67 2HB CYS 67 -2.060 3.107 -1.084 584 HB3 CYS 67 3HB CYS 67 -2.478 1.954 -2.345 585 HG CYS 67 HG CYS 67 0.368 1.082 -0.927 586 H HIS 68 HN HIS 68 -2.415 3.327 -4.536 587 HA HIS 68 HA HIS 68 -2.365 6.270 -4.394 588 HB2 HIS 68 2HB HIS 68 -1.560 5.257 -6.540 589 HB3 HIS 68 3HB HIS 68 -3.168 4.576 -6.766 590 HD2 HIS 68 2HD HIS 68 -3.197 8.182 -5.442 591 HE1 HIS 68 1HE HIS 68 -3.937 8.356 -9.616 592 HE2 HIS 68 2HE HIS 68 -3.832 9.663 -7.466 593 H ILE 69 HN ILE 69 -4.098 7.085 -3.435 594 HA ILE 69 HA ILE 69 -6.527 5.556 -3.165 595 HB ILE 69 HB ILE 69 -5.888 8.376 -2.294 596 HG12 ILE 69 2HG1 ILE 69 -6.080 5.859 -0.633 597 HG13 ILE 69 3HG1 ILE 69 -4.562 6.513 -1.237 598 HG21 ILE 69 1HG2 ILE 69 -7.977 7.200 -0.777 599 HG22 ILE 69 2HG2 ILE 69 -8.037 8.627 -1.810 600 HG23 ILE 69 3HG2 ILE 69 -8.380 7.036 -2.486 601 HD11 ILE 69 3HD1 ILE 69 -6.408 7.634 0.827 602 HD12 ILE 69 1HD1 ILE 69 -4.679 7.305 0.935 603 HD13 ILE 69 2HD1 ILE 69 -5.260 8.667 -0.024 604 H GLN 70 HN GLN 70 -8.077 5.517 -4.640 605 HA GLN 70 HA GLN 70 -8.270 7.707 -6.575 606 HB2 GLN 70 2HB GLN 70 -9.258 4.865 -6.572 607 HB3 GLN 70 3HB GLN 70 -9.866 6.047 -7.723 608 HG2 GLN 70 2HG GLN 70 -8.195 5.161 -8.965 609 HG3 GLN 70 3HG GLN 70 -7.287 6.430 -8.145 610 HE21 GLN 70 1HE2 GLN 70 -5.322 5.594 -7.904 611 HE22 GLN 70 2HE2 GLN 70 -4.963 4.086 -7.141 612 H ASP 71 HN ASP 71 -9.344 9.229 -5.289 613 HA ASP 71 HA ASP 71 -11.546 8.874 -3.682 614 HB2 ASP 71 2HB ASP 71 -10.912 11.216 -5.488 615 HB3 ASP 71 3HB ASP 71 -12.113 11.246 -4.200 616 H ARG 72 HN ARG 72 -11.431 9.198 -7.191 617 HA ARG 72 HA ARG 72 -13.960 9.640 -7.963 618 HB2 ARG 72 2HB ARG 72 -12.146 7.463 -9.015 619 HB3 ARG 72 3HB ARG 72 -13.599 8.021 -9.834 620 HG2 ARG 72 2HG ARG 72 -11.408 9.927 -9.104 621 HG3 ARG 72 3HG ARG 72 -11.334 8.961 -10.579 622 HD2 ARG 72 2HD ARG 72 -12.309 10.971 -11.260 623 HD3 ARG 72 3HD ARG 72 -13.674 9.872 -11.070 624 HE ARG 72 HE ARG 72 -13.059 11.492 -8.754 625 HH11 ARG 72 2HH1 ARG 72 -14.918 11.174 -11.680 626 HH12 ARG 72 1HH1 ARG 72 -16.147 12.285 -11.174 627 HH21 ARG 72 2HH2 ARG 72 -14.671 12.956 -8.076 628 HH22 ARG 72 1HH2 ARG 72 -16.005 13.299 -9.125 629 H GLU 73 HN GLU 73 -12.799 6.367 -7.135 630 HA GLU 73 HA GLU 73 -15.574 5.680 -6.418 631 HB2 GLU 73 2HB GLU 73 -13.503 4.133 -7.927 632 HB3 GLU 73 3HB GLU 73 -14.692 3.266 -6.965 633 HG2 GLU 73 2HG GLU 73 -15.543 5.327 -8.958 634 HG3 GLU 73 3HG GLU 73 -15.163 3.679 -9.458 635 H ALA 74 HN ALA 74 -13.092 6.640 -4.894 636 HA ALA 74 HA ALA 74 -12.017 6.225 -2.924 637 HB1 ALA 74 1HB ALA 74 -13.535 6.140 -1.300 638 HB2 ALA 74 2HB ALA 74 -14.746 5.911 -2.561 639 HB3 ALA 74 3HB ALA 74 -14.036 4.511 -1.756 640 H THR 75 HN THR 75 -11.114 4.536 -4.869 641 HA THR 75 HA THR 75 -10.861 1.943 -3.490 642 HB THR 75 HB THR 75 -10.599 2.578 -6.433 643 HG1 THR 75 1HG THR 75 -12.395 1.149 -6.559 644 HG21 THR 75 3HG2 THR 75 -10.364 0.031 -6.584 645 HG22 THR 75 1HG2 THR 75 -9.940 0.094 -4.874 646 HG23 THR 75 2HG2 THR 75 -8.951 0.946 -6.060 647 H VAL 76 HN VAL 76 -8.906 1.329 -2.802 648 HA VAL 76 HA VAL 76 -6.624 3.060 -3.430 649 HB VAL 76 HB VAL 76 -6.924 0.992 -1.246 650 HG11 VAL 76 1HG1 VAL 76 -4.597 1.993 -2.344 651 HG12 VAL 76 2HG1 VAL 76 -4.854 3.005 -0.921 652 HG13 VAL 76 3HG1 VAL 76 -4.764 1.251 -0.753 653 HG21 VAL 76 3HG2 VAL 76 -8.183 2.585 -0.295 654 HG22 VAL 76 1HG2 VAL 76 -6.656 3.428 -0.035 655 HG23 VAL 76 2HG2 VAL 76 -7.651 3.819 -1.437 656 H LEU 77 HN LEU 77 -4.907 2.364 -4.553 657 HA LEU 77 HA LEU 77 -4.716 -0.514 -5.152 658 HB2 LEU 77 2HB LEU 77 -5.526 0.517 -7.128 659 HB3 LEU 77 3HB LEU 77 -4.370 1.841 -6.991 660 HG LEU 77 HG LEU 77 -2.640 -0.166 -7.259 661 HD11 LEU 77 1HD1 LEU 77 -3.372 -1.956 -8.526 662 HD12 LEU 77 2HD1 LEU 77 -4.836 -1.124 -9.047 663 HD13 LEU 77 3HD1 LEU 77 -4.705 -1.724 -7.394 664 HD21 LEU 77 3HD2 LEU 77 -2.631 0.332 -9.688 665 HD22 LEU 77 1HD2 LEU 77 -2.686 1.776 -8.677 666 HD23 LEU 77 2HD2 LEU 77 -4.149 1.207 -9.481 667 H VAL 78 HN VAL 78 -2.925 -1.322 -4.302 668 HA VAL 78 HA VAL 78 -0.772 0.253 -3.361 669 HB VAL 78 HB VAL 78 -0.837 -2.721 -3.891 670 HG11 VAL 78 1HG1 VAL 78 1.141 -2.942 -2.766 671 HG12 VAL 78 2HG1 VAL 78 1.401 -1.368 -3.522 672 HG13 VAL 78 3HG1 VAL 78 0.903 -1.465 -1.832 673 HG21 VAL 78 3HG2 VAL 78 -2.083 -2.962 -2.064 674 HG22 VAL 78 1HG2 VAL 78 -0.994 -1.941 -1.126 675 HG23 VAL 78 2HG2 VAL 78 -2.307 -1.213 -2.051 676 H LEU 79 HN LEU 79 0.642 1.282 -4.603 677 HA LEU 79 HA LEU 79 1.182 0.448 -7.305 678 HB2 LEU 79 2HB LEU 79 1.952 2.738 -5.572 679 HB3 LEU 79 3HB LEU 79 2.959 2.380 -6.974 680 HG LEU 79 HG LEU 79 1.091 4.141 -7.195 681 HD11 LEU 79 1HD1 LEU 79 1.616 1.893 -9.107 682 HD12 LEU 79 2HD1 LEU 79 2.242 3.541 -9.133 683 HD13 LEU 79 3HD1 LEU 79 0.551 3.234 -9.527 684 HD21 LEU 79 3HD2 LEU 79 -0.533 1.610 -7.441 685 HD22 LEU 79 1HD2 LEU 79 -1.088 3.238 -7.833 686 HD23 LEU 79 2HD2 LEU 79 -0.685 2.821 -6.167 687 H ARG 80 HN ARG 80 3.251 0.969 -4.442 688 HA ARG 80 HA ARG 80 4.972 -1.213 -5.407 689 HB2 ARG 80 2HB ARG 80 5.822 1.487 -4.361 690 HB3 ARG 80 3HB ARG 80 6.914 0.113 -4.455 691 HG2 ARG 80 2HG ARG 80 5.422 1.132 -6.850 692 HG3 ARG 80 3HG ARG 80 6.988 1.783 -6.360 693 HD2 ARG 80 2HD ARG 80 8.077 -0.261 -6.733 694 HD3 ARG 80 3HD ARG 80 6.560 -1.159 -6.766 695 HE ARG 80 HE ARG 80 6.384 -0.684 -8.991 696 HH11 ARG 80 2HH1 ARG 80 8.631 1.547 -7.543 697 HH12 ARG 80 1HH1 ARG 80 9.099 2.258 -9.052 698 HH21 ARG 80 2HH2 ARG 80 6.992 0.244 -10.984 699 HH22 ARG 80 1HH2 ARG 80 8.165 1.517 -11.009 700 H VAL 81 HN VAL 81 6.330 -2.166 -3.694 701 HA VAL 81 HA VAL 81 5.427 -1.730 -0.960 702 HB VAL 81 HB VAL 81 5.180 -4.420 -2.313 703 HG11 VAL 81 1HG1 VAL 81 4.708 -5.388 -0.261 704 HG12 VAL 81 2HG1 VAL 81 6.021 -4.278 0.135 705 HG13 VAL 81 3HG1 VAL 81 4.353 -3.840 0.503 706 HG21 VAL 81 3HG2 VAL 81 3.051 -2.682 -1.069 707 HG22 VAL 81 1HG2 VAL 81 3.357 -2.815 -2.801 708 HG23 VAL 81 2HG2 VAL 81 2.813 -4.224 -1.891 709 H GLY 82 HN GLY 82 7.247 -1.518 0.159 710 HA2 GLY 82 1HA GLY 82 9.271 -3.578 0.051 711 HA3 GLY 82 2HA GLY 82 9.805 -2.021 -0.564 712 H HIS 83 HN HIS 83 10.820 -3.444 1.731 713 HA HIS 83 HA HIS 83 9.855 -2.510 4.171 714 HB2 HIS 83 2HB HIS 83 11.608 -4.291 3.812 715 HB3 HIS 83 3HB HIS 83 12.767 -2.995 3.529 716 HD2 HIS 83 2HD HIS 83 11.580 -5.089 6.386 717 HE1 HIS 83 1HE HIS 83 13.037 -1.515 8.148 718 HE2 HIS 83 2HE HIS 83 12.380 -3.914 8.547 719 H ALA 84 HN ALA 84 10.642 -0.842 5.573 720 HA ALA 84 HA ALA 84 10.654 1.696 4.536 721 HB1 ALA 84 1HB ALA 84 10.725 0.659 7.044 722 HB2 ALA 84 2HB ALA 84 12.314 1.417 6.939 723 HB3 ALA 84 3HB ALA 84 10.860 2.376 6.665 724 H ARG 85 HN ARG 85 13.572 0.006 5.716 725 HA ARG 85 HA ARG 85 15.501 1.779 4.995 726 HB2 ARG 85 2HB ARG 85 15.586 -1.231 4.756 727 HB3 ARG 85 3HB ARG 85 17.003 -0.196 4.638 728 HG2 ARG 85 2HG ARG 85 15.191 -0.334 7.038 729 HG3 ARG 85 3HG ARG 85 16.700 -1.232 6.864 730 HD2 ARG 85 2HD ARG 85 17.933 0.863 6.661 731 HD3 ARG 85 3HD ARG 85 16.428 1.771 6.796 732 HE ARG 85 HE ARG 85 16.487 1.463 9.063 733 HH11 ARG 85 2HH1 ARG 85 18.695 -0.764 7.551 734 HH12 ARG 85 1HH1 ARG 85 19.380 -1.304 9.048 735 HH21 ARG 85 2HH2 ARG 85 17.382 0.761 11.040 736 HH22 ARG 85 1HH2 ARG 85 18.632 -0.436 11.032 737 H ASP 86 HN ASP 86 13.850 -0.508 2.873 738 HA ASP 86 HA ASP 86 15.429 0.069 0.573 739 HB2 ASP 86 2HB ASP 86 14.150 -2.033 0.840 740 HB3 ASP 86 3HB ASP 86 12.649 -1.117 0.728 741 H VAL 87 HN VAL 87 11.933 0.636 0.889 742 HA VAL 87 HA VAL 87 11.727 2.560 -1.084 743 HB VAL 87 HB VAL 87 10.054 2.390 1.426 744 HG11 VAL 87 1HG1 VAL 87 8.482 3.225 -0.707 745 HG12 VAL 87 2HG1 VAL 87 9.060 4.218 0.633 746 HG13 VAL 87 3HG1 VAL 87 9.978 4.144 -0.871 747 HG21 VAL 87 3HG2 VAL 87 8.790 0.745 0.460 748 HG22 VAL 87 1HG2 VAL 87 9.201 1.242 -1.181 749 HG23 VAL 87 2HG2 VAL 87 10.370 0.344 -0.213 750 H TYR 88 HN TYR 88 12.311 4.623 -1.263 751 HA TYR 88 HA TYR 88 13.624 5.925 0.959 752 HB2 TYR 88 2HB TYR 88 13.889 7.785 -0.820 753 HB3 TYR 88 3HB TYR 88 14.760 6.273 -1.055 754 HD1 TYR 88 2HD TYR 88 11.157 6.396 -1.624 755 HD2 TYR 88 1HD TYR 88 14.986 6.721 -3.450 756 HE1 TYR 88 2HE TYR 88 10.116 6.144 -3.838 757 HE2 TYR 88 1HE TYR 88 13.955 6.471 -5.669 758 HH TYR 88 HH TYR 88 10.460 5.951 -6.023 759 H ARG 89 HN ARG 89 10.519 5.526 0.377 760 HA ARG 89 HA ARG 89 9.808 8.200 1.376 761 HB2 ARG 89 2HB ARG 89 8.423 6.584 -0.758 762 HB3 ARG 89 3HB ARG 89 7.610 7.875 0.117 763 HG2 ARG 89 2HG ARG 89 10.216 8.451 -1.198 764 HG3 ARG 89 3HG ARG 89 8.761 8.325 -2.188 765 HD2 ARG 89 2HD ARG 89 8.804 10.578 -1.687 766 HD3 ARG 89 3HD ARG 89 7.743 9.944 -0.429 767 HE ARG 89 HE ARG 89 10.342 9.912 0.568 768 HH11 ARG 89 2HH1 ARG 89 7.968 12.235 -0.475 769 HH12 ARG 89 1HH1 ARG 89 8.536 13.484 0.583 770 HH21 ARG 89 2HH2 ARG 89 11.099 11.548 1.965 771 HH22 ARG 89 1HH2 ARG 89 10.317 13.093 1.969 Start of MODEL 3 1 H1 MET 1 HN MET 1 -20.065 0.723 5.450 2 HA MET 1 HA MET 1 -19.262 -0.225 2.779 3 HB2 MET 1 2HB MET 1 -20.417 2.383 3.718 4 HB3 MET 1 3HB MET 1 -19.480 2.305 2.232 5 HG2 MET 1 2HG MET 1 -21.826 0.505 2.724 6 HG3 MET 1 3HG MET 1 -22.009 2.122 2.048 7 HE1 MET 1 3HE MET 1 -21.280 2.833 -0.343 8 HE2 MET 1 1HE MET 1 -21.600 1.601 -1.563 9 HE3 MET 1 2HE MET 1 -22.787 1.917 -0.297 10 H GLY 2 HN GLY 2 -17.444 0.992 1.783 11 HA2 GLY 2 1HA GLY 2 -15.680 2.645 3.131 12 HA3 GLY 2 2HA GLY 2 -15.204 1.003 3.538 13 H TYR 3 HN TYR 3 -13.245 2.105 2.390 14 HA TYR 3 HA TYR 3 -13.370 2.162 -0.481 15 HB2 TYR 3 2HB TYR 3 -11.123 2.428 1.508 16 HB3 TYR 3 3HB TYR 3 -10.831 2.392 -0.227 17 HD1 TYR 3 2HD TYR 3 -13.127 4.144 2.156 18 HD2 TYR 3 1HD TYR 3 -10.586 4.440 -1.244 19 HE1 TYR 3 2HE TYR 3 -13.577 6.559 2.037 20 HE2 TYR 3 1HE TYR 3 -11.028 6.856 -1.372 21 HH TYR 3 HH TYR 3 -11.782 8.689 0.487 22 H ARG 4 HN ARG 4 -12.247 0.772 -1.911 23 HA ARG 4 HA ARG 4 -12.210 -1.988 -1.005 24 HB2 ARG 4 2HB ARG 4 -13.341 -1.547 -3.090 25 HB3 ARG 4 3HB ARG 4 -11.917 -0.748 -3.743 26 HG2 ARG 4 2HG ARG 4 -12.035 -2.902 -4.722 27 HG3 ARG 4 3HG ARG 4 -10.712 -2.931 -3.555 28 HD2 ARG 4 2HD ARG 4 -12.366 -3.894 -1.902 29 HD3 ARG 4 3HD ARG 4 -13.472 -4.094 -3.261 30 HE ARG 4 HE ARG 4 -11.202 -5.717 -2.636 31 HH11 ARG 4 2HH1 ARG 4 -13.199 -4.536 -5.231 32 HH12 ARG 4 1HH1 ARG 4 -12.848 -5.868 -6.282 33 HH21 ARG 4 2HH2 ARG 4 -10.732 -7.475 -4.010 34 HH22 ARG 4 1HH2 ARG 4 -11.445 -7.540 -5.586 35 H ILE 5 HN ILE 5 -10.436 -3.372 -1.164 36 HA ILE 5 HA ILE 5 -7.843 -1.999 -1.140 37 HB ILE 5 HB ILE 5 -8.534 -4.768 -0.150 38 HG12 ILE 5 2HG1 ILE 5 -9.622 -3.107 1.231 39 HG13 ILE 5 3HG1 ILE 5 -8.236 -3.748 2.107 40 HG21 ILE 5 1HG2 ILE 5 -6.357 -5.134 0.088 41 HG22 ILE 5 2HG2 ILE 5 -6.055 -3.645 -0.807 42 HG23 ILE 5 3HG2 ILE 5 -6.147 -3.612 0.954 43 HD11 ILE 5 3HD1 ILE 5 -6.944 -1.770 1.514 44 HD12 ILE 5 1HD1 ILE 5 -8.327 -1.129 0.627 45 HD13 ILE 5 2HD1 ILE 5 -8.422 -1.343 2.376 46 H GLU 6 HN GLU 6 -7.083 -1.928 -3.183 47 HA GLU 6 HA GLU 6 -7.021 -4.452 -4.701 48 HB2 GLU 6 2HB GLU 6 -7.314 -1.601 -5.549 49 HB3 GLU 6 3HB GLU 6 -6.540 -2.737 -6.644 50 HG2 GLU 6 2HG GLU 6 -9.311 -2.975 -5.496 51 HG3 GLU 6 3HG GLU 6 -8.896 -2.528 -7.149 52 H PHE 7 HN PHE 7 -5.118 -4.794 -6.063 53 HA PHE 7 HA PHE 7 -2.709 -3.397 -5.146 54 HB2 PHE 7 2HB PHE 7 -3.250 -6.347 -5.016 55 HB3 PHE 7 3HB PHE 7 -1.603 -5.756 -5.213 56 HD1 PHE 7 1HD PHE 7 -4.596 -5.342 -3.041 57 HD2 PHE 7 2HD PHE 7 -0.353 -5.221 -3.348 58 HE1 PHE 7 1HE PHE 7 -4.433 -5.002 -0.609 59 HE2 PHE 7 2HE PHE 7 -0.183 -4.882 -0.917 60 HZ PHE 7 HZ PHE 7 -2.224 -4.773 0.456 61 H ASP 8 HN ASP 8 -1.046 -3.274 -6.639 62 HA ASP 8 HA ASP 8 -1.835 -3.522 -9.384 63 HB2 ASP 8 2HB ASP 8 0.500 -2.423 -7.910 64 HB3 ASP 8 3HB ASP 8 0.765 -2.898 -9.586 65 HA PRO 9 HA PRO 9 -0.131 -7.408 -10.491 66 HB2 PRO 9 2HB PRO 9 1.014 -6.900 -12.900 67 HB3 PRO 9 3HB PRO 9 -0.736 -6.958 -12.662 68 HG2 PRO 9 2HG PRO 9 1.078 -4.581 -12.813 69 HG3 PRO 9 3HG PRO 9 -0.518 -4.820 -13.549 70 HD2 PRO 9 2HD PRO 9 -0.159 -3.386 -11.280 71 HD3 PRO 9 3HD PRO 9 -1.633 -4.325 -11.593 72 H ARG 10 HN ARG 10 1.931 -4.721 -10.026 73 HA ARG 10 HA ARG 10 4.363 -6.322 -10.296 74 HB2 ARG 10 2HB ARG 10 3.903 -3.375 -9.829 75 HB3 ARG 10 3HB ARG 10 5.497 -4.118 -9.790 76 HG2 ARG 10 2HG ARG 10 5.269 -4.801 -12.102 77 HG3 ARG 10 3HG ARG 10 3.630 -4.147 -12.153 78 HD2 ARG 10 2HD ARG 10 5.936 -2.400 -11.390 79 HD3 ARG 10 3HD ARG 10 5.603 -2.741 -13.088 80 HE ARG 10 HE ARG 10 3.203 -1.932 -12.086 81 HH11 ARG 10 2HH1 ARG 10 6.407 -0.573 -12.160 82 HH12 ARG 10 1HH1 ARG 10 5.851 1.068 -12.184 83 HH21 ARG 10 2HH2 ARG 10 2.459 0.224 -12.116 84 HH22 ARG 10 1HH2 ARG 10 3.605 1.520 -12.157 85 H ALA 11 HN ALA 11 2.729 -4.287 -7.875 86 HA ALA 11 HA ALA 11 4.464 -4.821 -5.743 87 HB1 ALA 11 1HB ALA 11 2.787 -3.913 -4.318 88 HB2 ALA 11 2HB ALA 11 2.726 -3.017 -5.837 89 HB3 ALA 11 3HB ALA 11 1.517 -4.255 -5.494 90 H GLU 12 HN GLU 12 1.487 -6.458 -6.766 91 HA GLU 12 HA GLU 12 1.029 -8.206 -4.744 92 HB2 GLU 12 2HB GLU 12 0.746 -8.401 -7.697 93 HB3 GLU 12 3HB GLU 12 0.586 -9.890 -6.776 94 HG2 GLU 12 2HG GLU 12 -0.982 -7.412 -6.134 95 HG3 GLU 12 3HG GLU 12 -1.544 -8.633 -7.275 96 H LYS 13 HN LYS 13 3.382 -8.693 -7.367 97 HA LYS 13 HA LYS 13 4.355 -11.166 -6.368 98 HB2 LYS 13 2HB LYS 13 5.416 -9.172 -8.358 99 HB3 LYS 13 3HB LYS 13 6.332 -10.607 -7.916 100 HG2 LYS 13 2HG LYS 13 3.508 -10.928 -8.796 101 HG3 LYS 13 3HG LYS 13 4.751 -10.596 -10.005 102 HD2 LYS 13 2HD LYS 13 6.048 -12.525 -8.932 103 HD3 LYS 13 3HD LYS 13 4.528 -12.938 -8.134 104 HE2 LYS 13 2HE LYS 13 4.513 -14.250 -10.059 105 HE3 LYS 13 3HE LYS 13 3.511 -12.866 -10.493 106 HZ1 LYS 13 3HZ LYS 13 5.530 -11.881 -11.526 107 HZ2 LYS 13 1HZ LYS 13 4.987 -13.292 -12.284 108 HZ3 LYS 13 2HZ LYS 13 6.334 -13.346 -11.264 109 H GLU 14 HN GLU 14 5.653 -7.853 -6.243 110 HA GLU 14 HA GLU 14 8.002 -8.297 -4.897 111 HB2 GLU 14 2HB GLU 14 6.053 -6.008 -4.748 112 HB3 GLU 14 3HB GLU 14 7.566 -5.991 -3.854 113 HG2 GLU 14 2HG GLU 14 7.548 -6.499 -6.798 114 HG3 GLU 14 3HG GLU 14 7.450 -4.857 -6.165 115 H LEU 15 HN LEU 15 4.805 -7.725 -3.440 116 HA LEU 15 HA LEU 15 5.728 -8.128 -0.771 117 HB2 LEU 15 2HB LEU 15 3.829 -6.800 -0.931 118 HB3 LEU 15 3HB LEU 15 3.044 -7.891 -2.070 119 HG LEU 15 HG LEU 15 3.525 -8.854 0.706 120 HD11 LEU 15 1HD1 LEU 15 2.333 -6.410 0.361 121 HD12 LEU 15 2HD1 LEU 15 2.079 -7.495 1.727 122 HD13 LEU 15 3HD1 LEU 15 0.958 -7.515 0.365 123 HD21 LEU 15 3HD2 LEU 15 0.965 -9.228 -0.697 124 HD22 LEU 15 1HD2 LEU 15 1.957 -10.385 0.190 125 HD23 LEU 15 2HD2 LEU 15 2.372 -9.959 -1.470 126 H GLU 16 HN GLU 16 4.015 -10.143 -3.128 127 HA GLU 16 HA GLU 16 3.496 -12.350 -1.517 128 HB2 GLU 16 2HB GLU 16 3.852 -11.929 -4.445 129 HB3 GLU 16 3HB GLU 16 3.862 -13.582 -3.847 130 HG2 GLU 16 2HG GLU 16 1.671 -13.105 -2.742 131 HG3 GLU 16 3HG GLU 16 1.657 -11.557 -3.585 132 H LYS 17 HN LYS 17 6.477 -11.149 -2.671 133 HA LYS 17 HA LYS 17 7.860 -13.694 -2.329 134 HB2 LYS 17 2HB LYS 17 8.874 -12.708 -4.113 135 HB3 LYS 17 3HB LYS 17 8.496 -11.080 -3.564 136 HG2 LYS 17 2HG LYS 17 10.387 -10.926 -2.275 137 HG3 LYS 17 3HG LYS 17 10.522 -12.675 -2.073 138 HD2 LYS 17 2HD LYS 17 10.998 -12.728 -4.596 139 HD3 LYS 17 3HD LYS 17 11.268 -10.990 -4.444 140 HE2 LYS 17 2HE LYS 17 12.876 -11.605 -2.544 141 HE3 LYS 17 3HE LYS 17 12.788 -13.248 -3.177 142 HZ1 LYS 17 3HZ LYS 17 13.951 -12.698 -5.023 143 HZ2 LYS 17 1HZ LYS 17 14.588 -11.515 -3.996 144 HZ3 LYS 17 2HZ LYS 17 13.357 -11.115 -5.085 145 H LEU 18 HN LEU 18 7.301 -10.703 -0.669 146 HA LEU 18 HA LEU 18 9.464 -10.665 1.095 147 HB2 LEU 18 2HB LEU 18 6.628 -9.710 1.385 148 HB3 LEU 18 3HB LEU 18 7.853 -9.443 2.624 149 HG LEU 18 HG LEU 18 8.219 -8.485 -0.201 150 HD11 LEU 18 1HD1 LEU 18 7.405 -6.493 1.773 151 HD12 LEU 18 2HD1 LEU 18 6.139 -7.649 1.360 152 HD13 LEU 18 3HD1 LEU 18 6.912 -6.697 0.092 153 HD21 LEU 18 3HD2 LEU 18 9.826 -7.006 0.773 154 HD22 LEU 18 1HD2 LEU 18 10.170 -8.638 1.346 155 HD23 LEU 18 2HD2 LEU 18 9.357 -7.485 2.405 156 H ASP 19 HN ASP 19 9.119 -10.957 3.558 157 HA ASP 19 HA ASP 19 8.983 -13.652 4.149 158 HB2 ASP 19 2HB ASP 19 9.955 -11.808 5.585 159 HB3 ASP 19 3HB ASP 19 8.311 -11.461 6.116 160 H ARG 20 HN ARG 20 7.349 -15.032 4.098 161 HA ARG 20 HA ARG 20 4.764 -14.641 3.521 162 HB2 ARG 20 2HB ARG 20 6.056 -16.663 5.317 163 HB3 ARG 20 3HB ARG 20 4.308 -16.663 5.120 164 HG2 ARG 20 2HG ARG 20 6.205 -16.774 2.794 165 HG3 ARG 20 3HG ARG 20 5.604 -18.215 3.617 166 HD2 ARG 20 2HD ARG 20 3.281 -17.392 3.162 167 HD3 ARG 20 3HD ARG 20 3.993 -16.125 2.164 168 HE ARG 20 HE ARG 20 5.019 -18.507 1.225 169 HH11 ARG 20 2HH1 ARG 20 1.876 -17.055 1.587 170 HH12 ARG 20 1HH1 ARG 20 1.192 -17.884 0.228 171 HH21 ARG 20 2HH2 ARG 20 4.130 -19.605 -0.566 172 HH22 ARG 20 1HH2 ARG 20 2.475 -19.335 -0.995 173 H GLU 21 HN GLU 21 5.967 -14.733 6.878 174 HA GLU 21 HA GLU 21 3.591 -14.135 8.169 175 HB2 GLU 21 2HB GLU 21 6.012 -14.698 9.066 176 HB3 GLU 21 3HB GLU 21 6.134 -12.949 9.193 177 HG2 GLU 21 2HG GLU 21 4.407 -12.826 10.763 178 HG3 GLU 21 3HG GLU 21 3.837 -14.452 10.393 179 H VAL 22 HN VAL 22 6.098 -11.876 7.039 180 HA VAL 22 HA VAL 22 4.862 -9.510 7.858 181 HB VAL 22 HB VAL 22 6.738 -10.039 5.556 182 HG11 VAL 22 1HG1 VAL 22 6.863 -7.331 6.307 183 HG12 VAL 22 2HG1 VAL 22 6.312 -8.006 4.772 184 HG13 VAL 22 3HG1 VAL 22 5.157 -7.708 6.071 185 HG21 VAL 22 3HG2 VAL 22 7.417 -10.323 8.029 186 HG22 VAL 22 1HG2 VAL 22 8.456 -9.364 6.974 187 HG23 VAL 22 2HG2 VAL 22 7.352 -8.561 8.091 188 H ALA 23 HN ALA 23 4.739 -11.125 4.685 189 HA ALA 23 HA ALA 23 3.177 -9.415 3.257 190 HB1 ALA 23 1HB ALA 23 4.128 -11.606 2.483 191 HB2 ALA 23 2HB ALA 23 2.740 -12.394 3.234 192 HB3 ALA 23 3HB ALA 23 2.497 -11.253 1.911 193 H ARG 24 HN ARG 24 1.949 -11.977 5.412 194 HA ARG 24 HA ARG 24 -0.773 -11.374 5.098 195 HB2 ARG 24 2HB ARG 24 0.803 -12.784 7.232 196 HB3 ARG 24 3HB ARG 24 -0.922 -12.506 7.429 197 HG2 ARG 24 2HG ARG 24 -1.491 -13.962 5.753 198 HG3 ARG 24 3HG ARG 24 0.054 -13.776 4.921 199 HD2 ARG 24 2HD ARG 24 1.160 -15.036 6.706 200 HD3 ARG 24 3HD ARG 24 -0.386 -15.220 7.533 201 HE ARG 24 HE ARG 24 0.582 -16.792 5.381 202 HH11 ARG 24 2HH1 ARG 24 -2.328 -15.393 6.683 203 HH12 ARG 24 1HH1 ARG 24 -3.369 -16.595 5.995 204 HH21 ARG 24 2HH2 ARG 24 -0.779 -18.380 4.469 205 HH22 ARG 24 1HH2 ARG 24 -2.487 -18.293 4.736 206 H ARG 25 HN ARG 25 1.624 -10.216 7.429 207 HA ARG 25 HA ARG 25 -0.071 -8.791 9.119 208 HB2 ARG 25 2HB ARG 25 2.198 -9.128 9.775 209 HB3 ARG 25 3HB ARG 25 2.803 -8.328 8.330 210 HG2 ARG 25 2HG ARG 25 2.273 -6.212 9.126 211 HG3 ARG 25 3HG ARG 25 1.128 -6.841 10.312 212 HD2 ARG 25 2HD ARG 25 4.050 -7.498 10.463 213 HD3 ARG 25 3HD ARG 25 3.414 -5.999 11.140 214 HE ARG 25 HE ARG 25 1.816 -7.906 12.214 215 HH11 ARG 25 2HH1 ARG 25 5.266 -7.464 12.054 216 HH12 ARG 25 1HH1 ARG 25 5.571 -8.274 13.554 217 HH21 ARG 25 2HH2 ARG 25 2.205 -8.975 14.191 218 HH22 ARG 25 1HH2 ARG 25 3.829 -9.134 14.769 219 H ILE 26 HN ILE 26 1.471 -7.819 6.089 220 HA ILE 26 HA ILE 26 0.674 -5.113 6.159 221 HB ILE 26 HB ILE 26 1.447 -6.929 3.886 222 HG12 ILE 26 2HG1 ILE 26 2.857 -4.481 4.941 223 HG13 ILE 26 3HG1 ILE 26 3.124 -6.082 5.622 224 HG21 ILE 26 1HG2 ILE 26 0.459 -4.108 3.812 225 HG22 ILE 26 2HG2 ILE 26 1.636 -4.673 2.628 226 HG23 ILE 26 3HG2 ILE 26 0.063 -5.460 2.752 227 HD11 ILE 26 3HD1 ILE 26 3.545 -5.392 2.726 228 HD12 ILE 26 1HD1 ILE 26 4.815 -5.377 3.950 229 HD13 ILE 26 2HD1 ILE 26 3.993 -6.885 3.550 230 H LEU 27 HN LEU 27 -0.632 -7.748 4.132 231 HA LEU 27 HA LEU 27 -2.821 -6.481 3.097 232 HB2 LEU 27 2HB LEU 27 -2.536 -9.339 3.998 233 HB3 LEU 27 3HB LEU 27 -3.913 -8.747 3.070 234 HG LEU 27 HG LEU 27 -1.086 -8.537 2.063 235 HD11 LEU 27 1HD1 LEU 27 -1.610 -10.896 2.541 236 HD12 LEU 27 2HD1 LEU 27 -1.444 -10.574 0.816 237 HD13 LEU 27 3HD1 LEU 27 -3.047 -10.763 1.526 238 HD21 LEU 27 3HD2 LEU 27 -3.824 -8.270 0.863 239 HD22 LEU 27 1HD2 LEU 27 -2.400 -8.582 -0.129 240 HD23 LEU 27 2HD2 LEU 27 -2.491 -7.115 0.845 241 H ARG 28 HN ARG 28 -2.550 -8.031 6.265 242 HA ARG 28 HA ARG 28 -5.244 -7.746 7.029 243 HB2 ARG 28 2HB ARG 28 -3.266 -9.089 8.112 244 HB3 ARG 28 3HB ARG 28 -3.029 -7.613 9.037 245 HG2 ARG 28 2HG ARG 28 -5.365 -7.757 9.811 246 HG3 ARG 28 3HG ARG 28 -5.530 -9.285 8.943 247 HD2 ARG 28 2HD ARG 28 -3.856 -10.314 10.319 248 HD3 ARG 28 3HD ARG 28 -3.474 -8.773 11.086 249 HE ARG 28 HE ARG 28 -6.210 -9.657 11.395 250 HH11 ARG 28 2HH1 ARG 28 -2.991 -9.632 12.720 251 HH12 ARG 28 1HH1 ARG 28 -3.514 -9.958 14.339 252 HH21 ARG 28 2HH2 ARG 28 -6.911 -10.086 13.523 253 HH22 ARG 28 1HH2 ARG 28 -5.744 -10.217 14.795 254 H PHE 29 HN PHE 29 -2.414 -5.674 7.576 255 HA PHE 29 HA PHE 29 -3.636 -3.735 9.162 256 HB2 PHE 29 2HB PHE 29 -1.298 -3.612 9.035 257 HB3 PHE 29 3HB PHE 29 -1.299 -3.664 7.275 258 HD1 PHE 29 1HD PHE 29 -2.013 -1.540 10.205 259 HD2 PHE 29 2HD PHE 29 -1.432 -1.688 5.991 260 HE1 PHE 29 1HE PHE 29 -1.885 0.917 10.139 261 HE2 PHE 29 2HE PHE 29 -1.303 0.768 5.919 262 HZ PHE 29 HZ PHE 29 -1.529 2.074 7.995 263 H LEU 30 HN LEU 30 -3.664 -4.196 5.693 264 HA LEU 30 HA LEU 30 -4.998 -1.656 5.231 265 HB2 LEU 30 2HB LEU 30 -4.227 -3.896 3.368 266 HB3 LEU 30 3HB LEU 30 -5.004 -2.399 2.857 267 HG LEU 30 HG LEU 30 -2.424 -2.239 4.340 268 HD11 LEU 30 1HD1 LEU 30 -2.532 -3.938 2.246 269 HD12 LEU 30 2HD1 LEU 30 -1.112 -2.983 2.673 270 HD13 LEU 30 3HD1 LEU 30 -2.209 -2.417 1.413 271 HD21 LEU 30 3HD2 LEU 30 -2.559 -0.113 3.717 272 HD22 LEU 30 1HD2 LEU 30 -4.154 -0.453 3.045 273 HD23 LEU 30 2HD2 LEU 30 -2.722 -0.574 2.022 274 H ARG 31 HN ARG 31 -5.777 -5.015 5.605 275 HA ARG 31 HA ARG 31 -8.471 -4.676 4.565 276 HB2 ARG 31 2HB ARG 31 -6.967 -7.035 5.688 277 HB3 ARG 31 3HB ARG 31 -8.682 -7.108 5.307 278 HG2 ARG 31 2HG ARG 31 -8.328 -7.004 3.046 279 HG3 ARG 31 3HG ARG 31 -6.784 -6.167 3.217 280 HD2 ARG 31 2HD ARG 31 -6.168 -8.308 2.546 281 HD3 ARG 31 3HD ARG 31 -5.959 -8.350 4.296 282 HE ARG 31 HE ARG 31 -8.551 -9.237 3.470 283 HH11 ARG 31 2HH1 ARG 31 -5.232 -10.200 3.886 284 HH12 ARG 31 1HH1 ARG 31 -5.609 -11.879 4.088 285 HH21 ARG 31 2HH2 ARG 31 -9.060 -11.444 3.734 286 HH22 ARG 31 1HH2 ARG 31 -7.786 -12.586 4.000 287 H GLU 32 HN GLU 32 -6.894 -4.113 7.446 288 HA GLU 32 HA GLU 32 -9.372 -4.480 9.000 289 HB2 GLU 32 2HB GLU 32 -6.480 -4.617 9.828 290 HB3 GLU 32 3HB GLU 32 -7.768 -4.379 11.000 291 HG2 GLU 32 2HG GLU 32 -7.446 -6.731 9.152 292 HG3 GLU 32 3HG GLU 32 -7.150 -6.708 10.889 293 H ARG 33 HN ARG 33 -6.423 -2.542 9.466 294 HA ARG 33 HA ARG 33 -7.688 -0.384 10.684 295 HB2 ARG 33 2HB ARG 33 -5.175 -0.244 9.013 296 HB3 ARG 33 3HB ARG 33 -5.651 0.856 10.300 297 HG2 ARG 33 2HG ARG 33 -5.344 -2.030 10.944 298 HG3 ARG 33 3HG ARG 33 -3.894 -1.053 10.706 299 HD2 ARG 33 2HD ARG 33 -4.278 0.219 12.564 300 HD3 ARG 33 3HD ARG 33 -6.029 0.032 12.461 301 HE ARG 33 HE ARG 33 -5.230 -2.450 13.099 302 HH11 ARG 33 2HH1 ARG 33 -4.460 0.669 14.441 303 HH12 ARG 33 1HH1 ARG 33 -4.207 0.061 16.044 304 HH21 ARG 33 2HH2 ARG 33 -4.900 -3.261 15.205 305 HH22 ARG 33 1HH2 ARG 33 -4.457 -2.174 16.477 306 H VAL 34 HN VAL 34 -6.239 -0.187 7.437 307 HA VAL 34 HA VAL 34 -7.557 2.094 6.608 308 HB VAL 34 HB VAL 34 -6.776 -0.205 4.812 309 HG11 VAL 34 1HG1 VAL 34 -7.132 1.139 3.054 310 HG12 VAL 34 2HG1 VAL 34 -8.130 2.078 4.167 311 HG13 VAL 34 3HG1 VAL 34 -6.454 2.547 3.873 312 HG21 VAL 34 3HG2 VAL 34 -5.108 1.111 6.542 313 HG22 VAL 34 1HG2 VAL 34 -4.610 0.303 5.056 314 HG23 VAL 34 2HG2 VAL 34 -4.921 2.039 5.054 315 H ALA 35 HN ALA 35 -8.702 -1.196 6.718 316 HA ALA 35 HA ALA 35 -10.923 -0.899 4.985 317 HB1 ALA 35 1HB ALA 35 -11.756 -2.962 6.050 318 HB2 ALA 35 2HB ALA 35 -10.071 -3.091 5.541 319 HB3 ALA 35 3HB ALA 35 -10.462 -2.844 7.243 320 H THR 36 HN THR 36 -10.647 -0.773 8.533 321 HA THR 36 HA THR 36 -13.399 0.060 8.816 322 HB THR 36 HB THR 36 -12.393 -1.380 10.525 323 HG1 THR 36 1HG THR 36 -12.974 1.221 11.543 324 HG21 THR 36 3HG2 THR 36 -10.255 -0.999 11.066 325 HG22 THR 36 1HG2 THR 36 -10.854 0.307 12.089 326 HG23 THR 36 2HG2 THR 36 -10.313 0.651 10.446 327 H LEU 37 HN LEU 37 -10.407 1.581 8.282 328 HA LEU 37 HA LEU 37 -10.878 4.031 9.642 329 HB2 LEU 37 2HB LEU 37 -9.019 3.155 7.468 330 HB3 LEU 37 3HB LEU 37 -9.143 4.858 7.901 331 HG LEU 37 HG LEU 37 -8.445 2.703 9.886 332 HD11 LEU 37 1HD1 LEU 37 -6.820 3.924 7.798 333 HD12 LEU 37 2HD1 LEU 37 -6.505 2.509 8.801 334 HD13 LEU 37 3HD1 LEU 37 -6.147 4.122 9.416 335 HD21 LEU 37 3HD2 LEU 37 -8.712 5.645 9.930 336 HD22 LEU 37 1HD2 LEU 37 -7.330 4.967 10.792 337 HD23 LEU 37 2HD2 LEU 37 -8.966 4.459 11.212 338 H GLU 38 HN GLU 38 -12.477 5.384 9.185 339 HA GLU 38 HA GLU 38 -14.163 5.388 7.043 340 HB2 GLU 38 2HB GLU 38 -14.092 6.845 9.243 341 HB3 GLU 38 3HB GLU 38 -13.366 8.037 8.174 342 HG2 GLU 38 2HG GLU 38 -15.329 7.855 6.691 343 HG3 GLU 38 3HG GLU 38 -16.062 6.742 7.845 344 H ASP 39 HN ASP 39 -11.005 6.911 7.267 345 HA ASP 39 HA ASP 39 -11.117 7.412 4.373 346 HB2 ASP 39 2HB ASP 39 -9.885 9.287 6.403 347 HB3 ASP 39 3HB ASP 39 -9.926 9.521 4.658 348 HA PRO 40 HA PRO 40 -7.326 5.180 4.281 349 HB2 PRO 40 2HB PRO 40 -6.350 6.087 1.916 350 HB3 PRO 40 3HB PRO 40 -7.694 4.944 2.026 351 HG2 PRO 40 2HG PRO 40 -7.757 7.906 1.594 352 HG3 PRO 40 3HG PRO 40 -8.702 6.638 0.792 353 HD2 PRO 40 2HD PRO 40 -9.709 8.162 2.791 354 HD3 PRO 40 3HD PRO 40 -10.199 6.474 2.537 355 H ARG 41 HN ARG 41 -7.410 8.657 4.067 356 HA ARG 41 HA ARG 41 -4.613 9.116 4.143 357 HB2 ARG 41 2HB ARG 41 -6.910 10.885 4.999 358 HB3 ARG 41 3HB ARG 41 -5.243 11.417 4.826 359 HG2 ARG 41 2HG ARG 41 -5.519 10.475 2.397 360 HG3 ARG 41 3HG ARG 41 -7.235 10.709 2.734 361 HD2 ARG 41 2HD ARG 41 -5.331 12.919 3.340 362 HD3 ARG 41 3HD ARG 41 -5.784 12.624 1.662 363 HE ARG 41 HE ARG 41 -8.174 12.724 2.851 364 HH11 ARG 41 2HH1 ARG 41 -5.397 14.810 3.095 365 HH12 ARG 41 1HH1 ARG 41 -6.331 16.232 3.421 366 HH21 ARG 41 2HH2 ARG 41 -9.414 14.589 3.280 367 HH22 ARG 41 1HH2 ARG 41 -8.616 16.105 3.527 368 H SER 42 HN SER 42 -7.027 8.493 6.581 369 HA SER 42 HA SER 42 -6.083 9.441 8.900 370 HB2 SER 42 2HB SER 42 -7.925 7.616 8.382 371 HB3 SER 42 3HB SER 42 -6.647 6.503 8.870 372 HG SER 42 HG SER 42 -6.585 8.293 10.701 373 H LEU 43 HN LEU 43 -4.808 6.492 7.363 374 HA LEU 43 HA LEU 43 -2.396 6.770 9.030 375 HB2 LEU 43 2HB LEU 43 -3.773 4.377 7.868 376 HB3 LEU 43 3HB LEU 43 -2.073 4.310 8.327 377 HG LEU 43 HG LEU 43 -4.211 5.124 10.276 378 HD11 LEU 43 1HD1 LEU 43 -3.250 2.405 10.561 379 HD12 LEU 43 2HD1 LEU 43 -4.127 2.647 9.051 380 HD13 LEU 43 3HD1 LEU 43 -4.898 3.032 10.589 381 HD21 LEU 43 3HD2 LEU 43 -1.862 5.638 10.812 382 HD22 LEU 43 1HD2 LEU 43 -1.468 3.927 10.647 383 HD23 LEU 43 2HD2 LEU 43 -2.565 4.460 11.921 384 H GLY 44 HN GLY 44 -0.553 7.281 8.045 385 HA2 GLY 44 1HA GLY 44 0.934 6.572 6.137 386 HA3 GLY 44 2HA GLY 44 -0.433 6.974 5.109 387 H GLU 45 HN GLU 45 1.575 8.252 4.259 388 HA GLU 45 HA GLU 45 1.259 10.984 5.266 389 HB2 GLU 45 2HB GLU 45 3.670 11.396 5.124 390 HB3 GLU 45 3HB GLU 45 3.307 10.139 6.299 391 HG2 GLU 45 2HG GLU 45 3.810 8.484 4.426 392 HG3 GLU 45 3HG GLU 45 4.518 9.855 3.574 393 HA PRO 46 HA PRO 46 0.832 11.916 0.985 394 HB2 PRO 46 2HB PRO 46 1.366 14.576 1.072 395 HB3 PRO 46 3HB PRO 46 -0.146 13.880 1.667 396 HG2 PRO 46 2HG PRO 46 2.287 14.713 3.199 397 HG3 PRO 46 3HG PRO 46 0.577 14.977 3.585 398 HD2 PRO 46 2HD PRO 46 2.046 13.018 4.742 399 HD3 PRO 46 3HD PRO 46 0.307 12.847 4.424 400 H LEU 47 HN LEU 47 2.155 11.701 -0.710 401 HA LEU 47 HA LEU 47 5.011 11.899 -0.330 402 HB2 LEU 47 2HB LEU 47 3.325 11.105 -2.696 403 HB3 LEU 47 3HB LEU 47 5.087 11.107 -2.703 404 HG LEU 47 HG LEU 47 3.336 9.393 -0.941 405 HD11 LEU 47 1HD1 LEU 47 4.258 9.076 -3.645 406 HD12 LEU 47 2HD1 LEU 47 3.197 8.040 -2.692 407 HD13 LEU 47 3HD1 LEU 47 4.946 7.829 -2.604 408 HD21 LEU 47 3HD2 LEU 47 6.332 9.451 -1.295 409 HD22 LEU 47 1HD2 LEU 47 5.428 8.278 -0.337 410 HD23 LEU 47 2HD2 LEU 47 5.443 9.977 0.136 411 H ARG 48 HN ARG 48 3.858 14.387 -0.035 412 HA ARG 48 HA ARG 48 3.637 16.015 -2.253 413 HB2 ARG 48 2HB ARG 48 3.347 16.524 0.292 414 HB3 ARG 48 3HB ARG 48 5.037 17.002 0.207 415 HG2 ARG 48 2HG ARG 48 4.532 18.682 -1.438 416 HG3 ARG 48 3HG ARG 48 2.854 18.142 -1.524 417 HD2 ARG 48 2HD ARG 48 2.669 18.692 0.925 418 HD3 ARG 48 3HD ARG 48 4.256 19.449 0.798 419 HE ARG 48 HE ARG 48 2.830 20.645 -1.170 420 HH11 ARG 48 2HH1 ARG 48 2.291 20.156 2.234 421 HH12 ARG 48 1HH1 ARG 48 1.366 21.608 2.429 422 HH21 ARG 48 2HH2 ARG 48 1.613 22.559 -0.926 423 HH22 ARG 48 1HH2 ARG 48 0.980 22.973 0.631 424 H GLY 49 HN GLY 49 5.030 15.973 -3.914 425 HA2 GLY 49 1HA GLY 49 7.730 16.916 -3.465 426 HA3 GLY 49 2HA GLY 49 7.628 15.269 -4.069 427 HA PRO 50 HA PRO 50 7.155 18.647 -7.455 428 HB2 PRO 50 2HB PRO 50 9.739 18.929 -8.238 429 HB3 PRO 50 3HB PRO 50 8.991 19.953 -7.007 430 HG2 PRO 50 2HG PRO 50 10.768 17.568 -6.664 431 HG3 PRO 50 3HG PRO 50 10.793 19.116 -5.799 432 HD2 PRO 50 2HD PRO 50 9.680 16.880 -4.753 433 HD3 PRO 50 3HD PRO 50 9.062 18.507 -4.403 434 H GLU 51 HN GLU 51 8.280 15.542 -6.972 435 HA GLU 51 HA GLU 51 8.501 15.027 -9.863 436 HB2 GLU 51 2HB GLU 51 9.799 13.794 -7.480 437 HB3 GLU 51 3HB GLU 51 9.469 12.765 -8.866 438 HG2 GLU 51 2HG GLU 51 10.713 14.393 -10.282 439 HG3 GLU 51 3HG GLU 51 11.160 15.250 -8.808 440 H LEU 52 HN LEU 52 6.950 14.053 -6.871 441 HA LEU 52 HA LEU 52 5.237 12.195 -8.376 442 HB2 LEU 52 2HB LEU 52 5.802 12.412 -5.424 443 HB3 LEU 52 3HB LEU 52 4.611 11.320 -6.126 444 HG LEU 52 HG LEU 52 6.726 10.493 -7.498 445 HD11 LEU 52 1HD1 LEU 52 7.995 11.290 -4.895 446 HD12 LEU 52 2HD1 LEU 52 8.133 12.269 -6.355 447 HD13 LEU 52 3HD1 LEU 52 8.765 10.623 -6.334 448 HD21 LEU 52 3HD2 LEU 52 6.870 8.667 -6.017 449 HD22 LEU 52 1HD2 LEU 52 5.211 9.253 -5.885 450 HD23 LEU 52 2HD2 LEU 52 6.388 9.648 -4.632 451 H GLY 53 HN GLY 53 3.050 12.456 -8.437 452 HA2 GLY 53 1HA GLY 53 2.024 15.068 -7.862 453 HA3 GLY 53 2HA GLY 53 1.116 13.712 -8.513 454 H ARG 54 HN ARG 54 -0.295 12.700 -7.224 455 HA ARG 54 HA ARG 54 -0.178 13.309 -4.342 456 HB2 ARG 54 2HB ARG 54 -2.549 13.005 -6.180 457 HB3 ARG 54 3HB ARG 54 -2.697 12.928 -4.429 458 HG2 ARG 54 2HG ARG 54 -1.343 15.272 -5.676 459 HG3 ARG 54 3HG ARG 54 -3.105 15.167 -5.698 460 HD2 ARG 54 2HD ARG 54 -1.331 15.075 -3.259 461 HD3 ARG 54 3HD ARG 54 -2.348 16.425 -3.762 462 HE ARG 54 HE ARG 54 -3.903 14.084 -3.448 463 HH11 ARG 54 2HH1 ARG 54 -2.231 16.527 -1.616 464 HH12 ARG 54 1HH1 ARG 54 -3.263 16.381 -0.232 465 HH21 ARG 54 2HH2 ARG 54 -5.270 13.883 -1.632 466 HH22 ARG 54 1HH2 ARG 54 -4.991 14.877 -0.242 467 H PHE 55 HN PHE 55 0.672 11.540 -3.420 468 HA PHE 55 HA PHE 55 -0.753 9.015 -3.774 469 HB2 PHE 55 2HB PHE 55 2.205 9.408 -4.196 470 HB3 PHE 55 3HB PHE 55 1.526 7.839 -3.775 471 HD1 PHE 55 1HD PHE 55 -0.231 6.847 -5.309 472 HD2 PHE 55 2HD PHE 55 2.210 10.158 -6.403 473 HE1 PHE 55 1HE PHE 55 -0.724 6.422 -7.682 474 HE2 PHE 55 2HE PHE 55 1.720 9.739 -8.777 475 HZ PHE 55 HZ PHE 55 0.251 7.870 -9.420 476 H TRP 56 HN TRP 56 -1.070 7.965 -1.905 477 HA TRP 56 HA TRP 56 0.013 9.153 0.519 478 HB2 TRP 56 2HB TRP 56 -2.460 8.338 0.026 479 HB3 TRP 56 3HB TRP 56 -1.816 6.793 0.575 480 HD1 TRP 56 1HD TRP 56 -1.982 6.401 3.096 481 HE1 TRP 56 1HE TRP 56 -2.281 7.883 5.179 482 HE3 TRP 56 3HE TRP 56 -1.788 10.994 0.859 483 HZ2 TRP 56 2HZ TRP 56 -2.417 10.635 5.793 484 HZ3 TRP 56 3HZ TRP 56 -2.012 13.001 2.265 485 HH2 TRP 56 2HH TRP 56 -2.320 12.823 4.680 486 H LYS 57 HN LYS 57 1.274 8.096 2.020 487 HA LYS 57 HA LYS 57 2.392 5.505 1.168 488 HB2 LYS 57 2HB LYS 57 4.092 7.161 0.875 489 HB3 LYS 57 3HB LYS 57 3.763 7.866 2.452 490 HG2 LYS 57 2HG LYS 57 5.623 6.677 2.965 491 HG3 LYS 57 3HG LYS 57 4.408 5.433 3.268 492 HD2 LYS 57 2HD LYS 57 5.912 4.281 1.959 493 HD3 LYS 57 3HD LYS 57 4.783 4.874 0.738 494 HE2 LYS 57 2HE LYS 57 6.743 5.496 -0.242 495 HE3 LYS 57 3HE LYS 57 6.446 6.934 0.734 496 HZ1 LYS 57 3HZ LYS 57 8.198 4.658 1.492 497 HZ2 LYS 57 1HZ LYS 57 7.907 6.031 2.437 498 HZ3 LYS 57 2HZ LYS 57 8.723 6.177 0.963 499 H TYR 58 HN TYR 58 1.847 3.921 2.502 500 HA TYR 58 HA TYR 58 1.049 4.534 5.237 501 HB2 TYR 58 2HB TYR 58 0.875 1.998 3.601 502 HB3 TYR 58 3HB TYR 58 0.342 2.128 5.274 503 HD1 TYR 58 2HD TYR 58 -0.325 3.214 1.818 504 HD2 TYR 58 1HD TYR 58 -1.721 3.208 5.837 505 HE1 TYR 58 2HE TYR 58 -2.523 4.005 1.049 506 HE2 TYR 58 1HE TYR 58 -3.924 3.997 5.079 507 HH TYR 58 HH TYR 58 -4.472 5.243 2.007 508 H ARG 59 HN ARG 59 1.875 3.347 7.047 509 HA ARG 59 HA ARG 59 4.585 2.270 6.625 510 HB2 ARG 59 2HB ARG 59 5.107 3.214 8.919 511 HB3 ARG 59 3HB ARG 59 4.918 4.391 7.627 512 HG2 ARG 59 2HG ARG 59 2.569 3.699 9.325 513 HG3 ARG 59 3HG ARG 59 3.811 4.785 9.952 514 HD2 ARG 59 2HD ARG 59 3.469 5.925 7.581 515 HD3 ARG 59 3HD ARG 59 1.880 5.176 7.729 516 HE ARG 59 HE ARG 59 1.341 6.799 9.228 517 HH11 ARG 59 2HH1 ARG 59 4.806 6.468 9.171 518 HH12 ARG 59 1HH1 ARG 59 5.080 7.776 10.274 519 HH21 ARG 59 2HH2 ARG 59 1.689 8.523 10.680 520 HH22 ARG 59 1HH2 ARG 59 3.306 8.943 11.132 521 H VAL 60 HN VAL 60 4.994 0.337 7.511 522 HA VAL 60 HA VAL 60 3.118 -0.702 9.530 523 HB VAL 60 HB VAL 60 4.178 -2.151 7.106 524 HG11 VAL 60 1HG1 VAL 60 3.489 -3.183 9.719 525 HG12 VAL 60 2HG1 VAL 60 2.459 -3.862 8.456 526 HG13 VAL 60 3HG1 VAL 60 4.213 -4.005 8.338 527 HG21 VAL 60 3HG2 VAL 60 1.901 -2.407 6.479 528 HG22 VAL 60 1HG2 VAL 60 1.337 -1.812 8.040 529 HG23 VAL 60 2HG2 VAL 60 2.121 -0.711 6.908 530 H GLY 61 HN GLY 61 4.719 -0.099 11.099 531 HA2 GLY 61 1HA GLY 61 6.401 -0.643 12.566 532 HA3 GLY 61 2HA GLY 61 6.458 -2.219 11.791 533 H ASP 62 HN ASP 62 7.786 -2.476 9.902 534 HA ASP 62 HA ASP 62 9.836 -0.395 9.570 535 HB2 ASP 62 2HB ASP 62 10.243 -3.320 10.137 536 HB3 ASP 62 3HB ASP 62 11.468 -2.384 9.285 537 H TYR 63 HN TYR 63 7.516 -1.051 7.959 538 HA TYR 63 HA TYR 63 8.914 -1.625 5.448 539 HB2 TYR 63 2HB TYR 63 6.355 -2.932 6.378 540 HB3 TYR 63 3HB TYR 63 6.895 -2.948 4.703 541 HD1 TYR 63 1HD TYR 63 8.146 -3.792 8.122 542 HD2 TYR 63 2HD TYR 63 8.160 -4.741 3.975 543 HE1 TYR 63 1HE TYR 63 9.508 -5.787 8.589 544 HE2 TYR 63 2HE TYR 63 9.521 -6.738 4.430 545 HH TYR 63 HH TYR 63 9.989 -8.253 6.330 546 H ARG 64 HN ARG 64 8.207 -0.471 3.699 547 HA ARG 64 HA ARG 64 6.162 1.568 4.258 548 HB2 ARG 64 2HB ARG 64 8.439 1.594 2.270 549 HB3 ARG 64 3HB ARG 64 7.246 2.873 2.448 550 HG2 ARG 64 2HG ARG 64 8.991 1.985 4.722 551 HG3 ARG 64 3HG ARG 64 9.491 3.224 3.569 552 HD2 ARG 64 2HD ARG 64 7.483 4.528 4.135 553 HD3 ARG 64 3HD ARG 64 7.036 3.301 5.319 554 HE ARG 64 HE ARG 64 9.552 4.046 6.047 555 HH11 ARG 64 2HH1 ARG 64 6.565 5.744 5.486 556 HH12 ARG 64 1HH1 ARG 64 6.911 6.998 6.630 557 HH21 ARG 64 2HH2 ARG 64 10.020 5.691 7.556 558 HH22 ARG 64 1HH2 ARG 64 8.877 6.968 7.807 559 H LEU 65 HN LEU 65 4.401 1.764 2.982 560 HA LEU 65 HA LEU 65 4.241 0.041 0.599 561 HB2 LEU 65 2HB LEU 65 1.904 0.618 2.394 562 HB3 LEU 65 3HB LEU 65 2.032 -0.595 1.122 563 HG LEU 65 HG LEU 65 3.632 -0.707 3.671 564 HD11 LEU 65 1HD1 LEU 65 1.947 -2.512 4.271 565 HD12 LEU 65 2HD1 LEU 65 0.909 -1.801 3.036 566 HD13 LEU 65 3HD1 LEU 65 1.413 -0.838 4.425 567 HD21 LEU 65 3HD2 LEU 65 4.699 -2.143 2.256 568 HD22 LEU 65 1HD2 LEU 65 3.251 -2.454 1.298 569 HD23 LEU 65 2HD2 LEU 65 3.448 -3.223 2.873 570 H ILE 66 HN ILE 66 3.805 1.123 -1.199 571 HA ILE 66 HA ILE 66 2.654 3.818 -0.973 572 HB ILE 66 HB ILE 66 4.220 2.585 -3.243 573 HG12 ILE 66 2HG1 ILE 66 5.973 4.184 -2.592 574 HG13 ILE 66 3HG1 ILE 66 4.973 4.740 -1.255 575 HG21 ILE 66 1HG2 ILE 66 4.260 5.001 -4.039 576 HG22 ILE 66 2HG2 ILE 66 2.742 4.124 -4.227 577 HG23 ILE 66 3HG2 ILE 66 2.935 5.279 -2.909 578 HD11 ILE 66 3HD1 ILE 66 6.898 2.944 -0.957 579 HD12 ILE 66 1HD1 ILE 66 5.428 2.926 0.016 580 HD13 ILE 66 2HD1 ILE 66 5.580 1.850 -1.374 581 H CYS 67 HN CYS 67 0.525 3.830 -1.276 582 HA CYS 67 HA CYS 67 -0.597 2.115 -3.392 583 HB2 CYS 67 2HB CYS 67 -2.205 3.260 -1.122 584 HB3 CYS 67 3HB CYS 67 -2.590 1.892 -2.160 585 HG CYS 67 HG CYS 67 -0.197 1.933 0.287 586 H HIS 68 HN HIS 68 -2.715 3.036 -4.280 587 HA HIS 68 HA HIS 68 -2.465 5.950 -4.627 588 HB2 HIS 68 2HB HIS 68 -1.678 4.609 -6.613 589 HB3 HIS 68 3HB HIS 68 -3.328 4.018 -6.784 590 HD2 HIS 68 2HD HIS 68 -2.824 7.789 -5.975 591 HE1 HIS 68 1HE HIS 68 -4.011 7.440 -10.033 592 HE2 HIS 68 2HE HIS 68 -3.487 9.026 -8.147 593 H ILE 69 HN ILE 69 -4.145 6.802 -3.578 594 HA ILE 69 HA ILE 69 -6.632 5.430 -3.241 595 HB ILE 69 HB ILE 69 -5.936 8.317 -2.686 596 HG12 ILE 69 2HG1 ILE 69 -6.159 6.038 -0.718 597 HG13 ILE 69 3HG1 ILE 69 -4.633 6.513 -1.454 598 HG21 ILE 69 1HG2 ILE 69 -8.416 7.522 -2.959 599 HG22 ILE 69 2HG2 ILE 69 -8.161 6.852 -1.349 600 HG23 ILE 69 3HG2 ILE 69 -7.957 8.581 -1.626 601 HD11 ILE 69 3HD1 ILE 69 -4.547 8.502 -0.306 602 HD12 ILE 69 1HD1 ILE 69 -6.290 8.547 -0.040 603 HD13 ILE 69 2HD1 ILE 69 -5.286 7.425 0.879 604 H GLN 70 HN GLN 70 -8.284 5.362 -4.604 605 HA GLN 70 HA GLN 70 -8.401 7.348 -6.769 606 HB2 GLN 70 2HB GLN 70 -9.451 4.527 -6.584 607 HB3 GLN 70 3HB GLN 70 -9.896 5.629 -7.880 608 HG2 GLN 70 2HG GLN 70 -7.389 5.867 -8.296 609 HG3 GLN 70 3HG GLN 70 -7.214 4.443 -7.272 610 HE21 GLN 70 1HE2 GLN 70 -6.531 4.691 -10.043 611 HE22 GLN 70 2HE2 GLN 70 -7.490 3.542 -10.906 612 H ASP 71 HN ASP 71 -9.516 8.949 -5.633 613 HA ASP 71 HA ASP 71 -11.724 8.698 -4.018 614 HB2 ASP 71 2HB ASP 71 -11.046 10.873 -6.003 615 HB3 ASP 71 3HB ASP 71 -12.352 11.005 -4.828 616 H ARG 72 HN ARG 72 -11.614 8.785 -7.549 617 HA ARG 72 HA ARG 72 -14.161 9.072 -8.333 618 HB2 ARG 72 2HB ARG 72 -12.170 8.414 -9.759 619 HB3 ARG 72 3HB ARG 72 -12.510 6.747 -9.317 620 HG2 ARG 72 2HG ARG 72 -13.640 6.845 -11.280 621 HG3 ARG 72 3HG ARG 72 -14.921 7.387 -10.193 622 HD2 ARG 72 2HD ARG 72 -14.020 9.754 -10.669 623 HD3 ARG 72 3HD ARG 72 -13.204 9.006 -12.042 624 HE ARG 72 HE ARG 72 -15.907 8.271 -12.093 625 HH11 ARG 72 2HH1 ARG 72 -13.899 11.083 -12.515 626 HH12 ARG 72 1HH1 ARG 72 -14.993 11.862 -13.609 627 HH21 ARG 72 2HH2 ARG 72 -17.357 9.286 -13.533 628 HH22 ARG 72 1HH2 ARG 72 -16.960 10.840 -14.187 629 H GLU 73 HN GLU 73 -12.850 5.940 -7.236 630 HA GLU 73 HA GLU 73 -15.590 5.181 -6.466 631 HB2 GLU 73 2HB GLU 73 -13.494 3.596 -7.913 632 HB3 GLU 73 3HB GLU 73 -14.697 2.776 -6.927 633 HG2 GLU 73 2HG GLU 73 -16.478 3.807 -8.255 634 HG3 GLU 73 3HG GLU 73 -15.261 4.597 -9.256 635 H ALA 74 HN ALA 74 -13.341 6.382 -4.940 636 HA ALA 74 HA ALA 74 -12.106 6.056 -3.027 637 HB1 ALA 74 1HB ALA 74 -14.319 6.382 -2.141 638 HB2 ALA 74 2HB ALA 74 -14.702 4.674 -2.362 639 HB3 ALA 74 3HB ALA 74 -13.489 5.160 -1.177 640 H THR 75 HN THR 75 -11.076 4.335 -4.771 641 HA THR 75 HA THR 75 -10.843 1.799 -3.284 642 HB THR 75 HB THR 75 -10.531 2.267 -6.255 643 HG1 THR 75 1HG THR 75 -12.679 2.053 -5.756 644 HG21 THR 75 3HG2 THR 75 -9.299 0.316 -4.617 645 HG22 THR 75 1HG2 THR 75 -9.317 0.404 -6.378 646 HG23 THR 75 2HG2 THR 75 -10.574 -0.494 -5.527 647 H VAL 76 HN VAL 76 -8.897 1.293 -2.507 648 HA VAL 76 HA VAL 76 -6.624 2.988 -3.258 649 HB VAL 76 HB VAL 76 -6.927 1.133 -0.893 650 HG11 VAL 76 1HG1 VAL 76 -4.759 1.403 -0.501 651 HG12 VAL 76 2HG1 VAL 76 -4.614 2.211 -2.063 652 HG13 VAL 76 3HG1 VAL 76 -4.917 3.156 -0.605 653 HG21 VAL 76 3HG2 VAL 76 -7.599 3.973 -1.336 654 HG22 VAL 76 1HG2 VAL 76 -8.296 2.801 -0.219 655 HG23 VAL 76 2HG2 VAL 76 -6.771 3.595 0.174 656 H LEU 77 HN LEU 77 -5.319 2.190 -4.761 657 HA LEU 77 HA LEU 77 -4.962 -0.723 -4.935 658 HB2 LEU 77 2HB LEU 77 -5.761 0.149 -6.984 659 HB3 LEU 77 3HB LEU 77 -4.614 1.486 -6.943 660 HG LEU 77 HG LEU 77 -2.861 -0.501 -7.072 661 HD11 LEU 77 1HD1 LEU 77 -5.409 -1.639 -8.178 662 HD12 LEU 77 2HD1 LEU 77 -4.279 -2.366 -7.036 663 HD13 LEU 77 3HD1 LEU 77 -3.823 -2.179 -8.729 664 HD21 LEU 77 3HD2 LEU 77 -2.759 -0.149 -9.462 665 HD22 LEU 77 1HD2 LEU 77 -3.116 1.376 -8.650 666 HD23 LEU 77 2HD2 LEU 77 -4.404 0.490 -9.468 667 H VAL 78 HN VAL 78 -3.121 -1.558 -4.229 668 HA VAL 78 HA VAL 78 -0.980 0.050 -3.286 669 HB VAL 78 HB VAL 78 -1.035 -2.929 -3.790 670 HG11 VAL 78 1HG1 VAL 78 0.724 -1.686 -1.751 671 HG12 VAL 78 2HG1 VAL 78 0.972 -3.129 -2.737 672 HG13 VAL 78 3HG1 VAL 78 1.196 -1.528 -3.443 673 HG21 VAL 78 3HG2 VAL 78 -2.092 -1.221 -1.634 674 HG22 VAL 78 1HG2 VAL 78 -2.600 -2.823 -2.169 675 HG23 VAL 78 2HG2 VAL 78 -1.199 -2.649 -1.113 676 H LEU 79 HN LEU 79 0.537 0.997 -4.462 677 HA LEU 79 HA LEU 79 1.009 0.207 -7.199 678 HB2 LEU 79 2HB LEU 79 1.798 2.466 -5.448 679 HB3 LEU 79 3HB LEU 79 2.851 2.092 -6.811 680 HG LEU 79 HG LEU 79 -0.095 2.686 -7.066 681 HD11 LEU 79 1HD1 LEU 79 2.252 4.518 -7.539 682 HD12 LEU 79 2HD1 LEU 79 1.127 4.625 -6.186 683 HD13 LEU 79 3HD1 LEU 79 0.553 4.891 -7.832 684 HD21 LEU 79 3HD2 LEU 79 0.854 1.344 -8.877 685 HD22 LEU 79 1HD2 LEU 79 2.120 2.550 -9.110 686 HD23 LEU 79 2HD2 LEU 79 0.436 2.966 -9.429 687 H ARG 80 HN ARG 80 3.108 0.641 -4.344 688 HA ARG 80 HA ARG 80 4.729 -1.615 -5.293 689 HB2 ARG 80 2HB ARG 80 5.781 1.063 -4.368 690 HB3 ARG 80 3HB ARG 80 6.779 -0.367 -4.594 691 HG2 ARG 80 2HG ARG 80 5.094 0.558 -6.862 692 HG3 ARG 80 3HG ARG 80 6.558 1.461 -6.465 693 HD2 ARG 80 2HD ARG 80 6.598 -1.520 -6.796 694 HD3 ARG 80 3HD ARG 80 6.727 -0.441 -8.185 695 HE ARG 80 HE ARG 80 8.597 0.307 -6.209 696 HH11 ARG 80 2HH1 ARG 80 7.982 -2.178 -8.569 697 HH12 ARG 80 1HH1 ARG 80 9.657 -2.558 -8.796 698 HH21 ARG 80 2HH2 ARG 80 10.805 -0.186 -6.499 699 HH22 ARG 80 1HH2 ARG 80 11.262 -1.425 -7.617 700 H VAL 81 HN VAL 81 6.191 -2.461 -3.569 701 HA VAL 81 HA VAL 81 5.418 -1.853 -0.836 702 HB VAL 81 HB VAL 81 4.978 -4.595 -2.025 703 HG11 VAL 81 1HG1 VAL 81 5.003 -3.628 0.818 704 HG12 VAL 81 2HG1 VAL 81 4.121 -5.076 0.330 705 HG13 VAL 81 3HG1 VAL 81 5.869 -4.990 0.110 706 HG21 VAL 81 3HG2 VAL 81 3.176 -3.007 -2.490 707 HG22 VAL 81 1HG2 VAL 81 2.652 -4.259 -1.365 708 HG23 VAL 81 2HG2 VAL 81 3.045 -2.647 -0.769 709 H GLY 82 HN GLY 82 7.264 -1.720 0.248 710 HA2 GLY 82 1HA GLY 82 9.223 -3.841 0.084 711 HA3 GLY 82 2HA GLY 82 9.779 -2.299 -0.550 712 H HIS 83 HN HIS 83 10.923 -3.656 1.660 713 HA HIS 83 HA HIS 83 10.022 -2.668 4.142 714 HB2 HIS 83 2HB HIS 83 11.564 -4.585 3.912 715 HB3 HIS 83 3HB HIS 83 12.824 -3.491 3.348 716 HD2 HIS 83 2HD HIS 83 11.506 -4.928 6.606 717 HE1 HIS 83 1HE HIS 83 13.984 -1.647 7.651 718 HE2 HIS 83 2HE HIS 83 12.809 -3.714 8.482 719 H ALA 84 HN ALA 84 10.702 -0.935 5.395 720 HA ALA 84 HA ALA 84 10.932 1.531 4.389 721 HB1 ALA 84 1HB ALA 84 11.711 0.303 6.906 722 HB2 ALA 84 2HB ALA 84 12.669 1.733 6.521 723 HB3 ALA 84 3HB ALA 84 10.911 1.844 6.597 724 H ARG 85 HN ARG 85 13.908 -0.057 5.545 725 HA ARG 85 HA ARG 85 15.798 1.557 4.519 726 HB2 ARG 85 2HB ARG 85 15.880 -1.464 4.405 727 HB3 ARG 85 3HB ARG 85 17.277 -0.401 4.302 728 HG2 ARG 85 2HG ARG 85 15.456 -0.291 6.671 729 HG3 ARG 85 3HG ARG 85 16.712 -1.525 6.551 730 HD2 ARG 85 2HD ARG 85 17.207 1.439 6.311 731 HD3 ARG 85 3HD ARG 85 17.402 0.518 7.801 732 HE ARG 85 HE ARG 85 18.913 -0.721 5.804 733 HH11 ARG 85 2HH1 ARG 85 18.852 2.252 7.614 734 HH12 ARG 85 1HH1 ARG 85 20.566 2.492 7.528 735 HH21 ARG 85 2HH2 ARG 85 21.170 -0.417 5.684 736 HH22 ARG 85 1HH2 ARG 85 21.883 0.974 6.430 737 H ASP 86 HN ASP 86 14.482 -1.210 2.689 738 HA ASP 86 HA ASP 86 15.748 -0.773 0.284 739 HB2 ASP 86 2HB ASP 86 12.894 -1.725 0.602 740 HB3 ASP 86 3HB ASP 86 13.964 -2.043 -0.761 741 H VAL 87 HN VAL 87 12.339 0.132 0.790 742 HA VAL 87 HA VAL 87 12.075 1.804 -1.384 743 HB VAL 87 HB VAL 87 10.722 2.159 1.294 744 HG11 VAL 87 1HG1 VAL 87 10.649 3.972 -0.617 745 HG12 VAL 87 2HG1 VAL 87 9.455 2.868 -1.304 746 HG13 VAL 87 3HG1 VAL 87 9.204 3.553 0.302 747 HG21 VAL 87 3HG2 VAL 87 9.005 0.918 -0.542 748 HG22 VAL 87 1HG2 VAL 87 10.545 0.067 -0.665 749 HG23 VAL 87 2HG2 VAL 87 9.736 0.206 0.896 750 H TYR 88 HN TYR 88 12.719 3.802 -1.902 751 HA TYR 88 HA TYR 88 14.784 5.144 -0.836 752 HB2 TYR 88 2HB TYR 88 14.088 6.105 -2.803 753 HB3 TYR 88 3HB TYR 88 12.388 6.062 -2.349 754 HD1 TYR 88 1HD TYR 88 11.486 7.790 -0.794 755 HD2 TYR 88 2HD TYR 88 15.428 8.023 -2.379 756 HE1 TYR 88 1HE TYR 88 11.582 10.172 -0.189 757 HE2 TYR 88 2HE TYR 88 15.535 10.406 -1.778 758 HH TYR 88 HH TYR 88 14.041 12.257 -1.321 759 H ARG 89 HN ARG 89 15.049 7.010 0.517 760 HA ARG 89 HA ARG 89 12.913 7.426 2.490 761 HB2 ARG 89 2HB ARG 89 15.831 6.939 3.117 762 HB3 ARG 89 3HB ARG 89 14.626 7.457 4.288 763 HG2 ARG 89 2HG ARG 89 13.597 5.408 4.344 764 HG3 ARG 89 3HG ARG 89 14.141 4.971 2.723 765 HD2 ARG 89 2HD ARG 89 15.953 5.220 5.120 766 HD3 ARG 89 3HD ARG 89 15.258 3.702 4.554 767 HE ARG 89 HE ARG 89 16.596 4.946 2.423 768 HH11 ARG 89 2HH1 ARG 89 17.265 3.367 5.453 769 HH12 ARG 89 1HH1 ARG 89 18.827 2.801 4.963 770 HH21 ARG 89 2HH2 ARG 89 18.652 4.207 1.766 771 HH22 ARG 89 1HH2 ARG 89 19.615 3.280 2.866 Start of MODEL 4 1 H1 MET 1 HN MET 1 -19.120 1.228 6.213 2 HA MET 1 HA MET 1 -18.013 -0.557 4.287 3 HB2 MET 1 2HB MET 1 -19.101 0.373 2.293 4 HB3 MET 1 3HB MET 1 -20.265 -0.414 3.351 5 HG2 MET 1 2HG MET 1 -20.765 1.885 4.282 6 HG3 MET 1 3HG MET 1 -19.831 2.524 2.931 7 HE1 MET 1 3HE MET 1 -22.752 2.696 4.133 8 HE2 MET 1 1HE MET 1 -23.926 2.669 2.817 9 HE3 MET 1 2HE MET 1 -23.647 1.218 3.779 10 H GLY 2 HN GLY 2 -16.183 0.289 3.457 11 HA2 GLY 2 1HA GLY 2 -15.796 3.206 3.720 12 HA3 GLY 2 2HA GLY 2 -14.553 2.062 4.203 13 H TYR 3 HN TYR 3 -13.015 1.656 2.766 14 HA TYR 3 HA TYR 3 -13.592 2.204 -0.072 15 HB2 TYR 3 2HB TYR 3 -11.121 2.699 1.571 16 HB3 TYR 3 3HB TYR 3 -11.038 2.571 -0.183 17 HD1 TYR 3 2HD TYR 3 -13.333 4.269 2.241 18 HD2 TYR 3 1HD TYR 3 -10.867 4.622 -1.209 19 HE1 TYR 3 2HE TYR 3 -13.957 6.640 2.044 20 HE2 TYR 3 1HE TYR 3 -11.484 6.994 -1.414 21 HH TYR 3 HH TYR 3 -14.014 8.356 -0.107 22 H ARG 4 HN ARG 4 -12.491 0.894 -1.638 23 HA ARG 4 HA ARG 4 -12.288 -1.864 -0.789 24 HB2 ARG 4 2HB ARG 4 -13.479 -1.397 -2.840 25 HB3 ARG 4 3HB ARG 4 -12.081 -0.564 -3.508 26 HG2 ARG 4 2HG ARG 4 -10.957 -2.509 -3.953 27 HG3 ARG 4 3HG ARG 4 -11.799 -3.411 -2.692 28 HD2 ARG 4 2HD ARG 4 -12.694 -4.261 -4.668 29 HD3 ARG 4 3HD ARG 4 -13.894 -3.082 -4.139 30 HE ARG 4 HE ARG 4 -11.971 -1.957 -5.929 31 HH11 ARG 4 2HH1 ARG 4 -14.894 -3.840 -5.750 32 HH12 ARG 4 1HH1 ARG 4 -15.431 -3.398 -7.337 33 HH21 ARG 4 2HH2 ARG 4 -12.668 -1.367 -8.020 34 HH22 ARG 4 1HH2 ARG 4 -14.163 -1.992 -8.627 35 H ILE 5 HN ILE 5 -10.479 -3.233 -1.316 36 HA ILE 5 HA ILE 5 -7.923 -1.771 -1.251 37 HB ILE 5 HB ILE 5 -8.392 -4.592 -0.293 38 HG12 ILE 5 2HG1 ILE 5 -9.721 -3.115 1.092 39 HG13 ILE 5 3HG1 ILE 5 -8.297 -3.617 1.997 40 HG21 ILE 5 1HG2 ILE 5 -6.074 -3.809 -0.978 41 HG22 ILE 5 2HG2 ILE 5 -6.143 -2.731 0.415 42 HG23 ILE 5 3HG2 ILE 5 -6.238 -4.477 0.646 43 HD11 ILE 5 3HD1 ILE 5 -7.257 -1.505 1.674 44 HD12 ILE 5 1HD1 ILE 5 -8.500 -1.004 0.528 45 HD13 ILE 5 2HD1 ILE 5 -8.905 -1.214 2.232 46 H GLU 6 HN GLU 6 -6.740 -1.887 -3.031 47 HA GLU 6 HA GLU 6 -6.918 -4.316 -4.687 48 HB2 GLU 6 2HB GLU 6 -6.872 -1.431 -5.552 49 HB3 GLU 6 3HB GLU 6 -6.426 -2.736 -6.642 50 HG2 GLU 6 2HG GLU 6 -8.691 -3.752 -6.107 51 HG3 GLU 6 3HG GLU 6 -9.091 -2.198 -5.378 52 H PHE 7 HN PHE 7 -5.014 -4.861 -5.880 53 HA PHE 7 HA PHE 7 -2.552 -3.519 -5.020 54 HB2 PHE 7 2HB PHE 7 -3.253 -6.416 -4.670 55 HB3 PHE 7 3HB PHE 7 -1.573 -5.937 -4.894 56 HD1 PHE 7 1HD PHE 7 -4.514 -5.629 -2.703 57 HD2 PHE 7 2HD PHE 7 -0.349 -4.879 -3.157 58 HE1 PHE 7 1HE PHE 7 -4.350 -5.106 -0.304 59 HE2 PHE 7 2HE PHE 7 -0.178 -4.357 -0.759 60 HZ PHE 7 HZ PHE 7 -2.180 -4.470 0.671 61 H ASP 8 HN ASP 8 -1.259 -3.088 -6.677 62 HA ASP 8 HA ASP 8 -1.897 -3.680 -9.326 63 HB2 ASP 8 2HB ASP 8 0.525 -2.992 -9.774 64 HB3 ASP 8 3HB ASP 8 -0.497 -1.814 -8.954 65 HA PRO 9 HA PRO 9 -0.371 -7.713 -10.128 66 HB2 PRO 9 2HB PRO 9 0.562 -7.454 -12.664 67 HB3 PRO 9 3HB PRO 9 -1.161 -7.466 -12.271 68 HG2 PRO 9 2HG PRO 9 0.643 -5.139 -12.808 69 HG3 PRO 9 3HG PRO 9 -1.012 -5.426 -13.377 70 HD2 PRO 9 2HD PRO 9 -0.451 -3.786 -11.297 71 HD3 PRO 9 3HD PRO 9 -1.950 -4.732 -11.389 72 H ARG 10 HN ARG 10 1.709 -5.057 -9.930 73 HA ARG 10 HA ARG 10 4.122 -6.645 -10.381 74 HB2 ARG 10 2HB ARG 10 3.518 -3.732 -10.196 75 HB3 ARG 10 3HB ARG 10 5.130 -4.269 -9.744 76 HG2 ARG 10 2HG ARG 10 5.230 -3.650 -12.020 77 HG3 ARG 10 3HG ARG 10 5.261 -5.414 -11.977 78 HD2 ARG 10 2HD ARG 10 2.995 -5.562 -12.646 79 HD3 ARG 10 3HD ARG 10 2.727 -3.842 -12.365 80 HE ARG 10 HE ARG 10 3.767 -5.047 -14.728 81 HH11 ARG 10 2HH1 ARG 10 3.926 -2.191 -12.744 82 HH12 ARG 10 1HH1 ARG 10 4.406 -1.154 -14.047 83 HH21 ARG 10 2HH2 ARG 10 4.398 -3.692 -16.452 84 HH22 ARG 10 1HH2 ARG 10 4.673 -2.008 -16.155 85 H ALA 11 HN ALA 11 2.648 -4.618 -7.856 86 HA ALA 11 HA ALA 11 4.567 -5.126 -5.866 87 HB1 ALA 11 1HB ALA 11 2.697 -3.351 -5.945 88 HB2 ALA 11 2HB ALA 11 1.689 -4.605 -5.223 89 HB3 ALA 11 3HB ALA 11 3.137 -4.048 -4.386 90 H GLU 12 HN GLU 12 1.456 -6.702 -6.559 91 HA GLU 12 HA GLU 12 1.105 -8.419 -4.532 92 HB2 GLU 12 2HB GLU 12 0.019 -8.270 -6.957 93 HB3 GLU 12 3HB GLU 12 1.038 -9.676 -7.231 94 HG2 GLU 12 2HG GLU 12 -0.759 -9.567 -4.849 95 HG3 GLU 12 3HG GLU 12 -1.401 -9.994 -6.434 96 H LYS 13 HN LYS 13 3.484 -8.857 -7.119 97 HA LYS 13 HA LYS 13 4.486 -11.313 -5.996 98 HB2 LYS 13 2HB LYS 13 5.107 -9.623 -8.364 99 HB3 LYS 13 3HB LYS 13 6.385 -10.672 -7.766 100 HG2 LYS 13 2HG LYS 13 3.667 -11.801 -8.237 101 HG3 LYS 13 3HG LYS 13 4.743 -11.508 -9.606 102 HD2 LYS 13 2HD LYS 13 5.287 -13.679 -9.064 103 HD3 LYS 13 3HD LYS 13 6.485 -12.782 -8.127 104 HE2 LYS 13 2HE LYS 13 5.433 -13.210 -6.123 105 HE3 LYS 13 3HE LYS 13 3.858 -13.445 -6.880 106 HZ1 LYS 13 3HZ LYS 13 5.032 -15.492 -6.002 107 HZ2 LYS 13 1HZ LYS 13 6.093 -15.334 -7.310 108 HZ3 LYS 13 2HZ LYS 13 4.442 -15.581 -7.585 109 H GLU 14 HN GLU 14 5.591 -7.951 -6.210 110 HA GLU 14 HA GLU 14 8.103 -8.252 -5.052 111 HB2 GLU 14 2HB GLU 14 6.192 -5.917 -4.865 112 HB3 GLU 14 3HB GLU 14 7.892 -5.857 -4.420 113 HG2 GLU 14 2HG GLU 14 8.548 -6.317 -6.694 114 HG3 GLU 14 3HG GLU 14 6.862 -6.514 -7.170 115 H LEU 15 HN LEU 15 4.945 -8.254 -3.606 116 HA LEU 15 HA LEU 15 6.008 -7.997 -0.911 117 HB2 LEU 15 2HB LEU 15 3.989 -6.866 -1.142 118 HB3 LEU 15 3HB LEU 15 3.264 -8.162 -2.092 119 HG LEU 15 HG LEU 15 3.906 -8.470 0.831 120 HD11 LEU 15 1HD1 LEU 15 2.181 -7.207 1.406 121 HD12 LEU 15 2HD1 LEU 15 1.116 -8.127 0.344 122 HD13 LEU 15 3HD1 LEU 15 1.989 -6.729 -0.281 123 HD21 LEU 15 3HD2 LEU 15 1.808 -10.056 0.343 124 HD22 LEU 15 1HD2 LEU 15 3.479 -10.584 0.143 125 HD23 LEU 15 2HD2 LEU 15 2.546 -10.059 -1.260 126 H GLU 16 HN GLU 16 4.180 -10.396 -2.805 127 HA GLU 16 HA GLU 16 3.963 -12.431 -0.997 128 HB2 GLU 16 2HB GLU 16 4.434 -12.454 -3.963 129 HB3 GLU 16 3HB GLU 16 4.314 -13.962 -3.067 130 HG2 GLU 16 2HG GLU 16 2.200 -11.827 -3.005 131 HG3 GLU 16 3HG GLU 16 2.197 -13.173 -4.143 132 H LYS 17 HN LYS 17 6.824 -11.438 -2.766 133 HA LYS 17 HA LYS 17 8.445 -13.669 -2.211 134 HB2 LYS 17 2HB LYS 17 9.058 -10.791 -2.849 135 HB3 LYS 17 3HB LYS 17 10.339 -11.955 -2.534 136 HG2 LYS 17 2HG LYS 17 9.141 -13.362 -4.364 137 HG3 LYS 17 3HG LYS 17 8.430 -11.813 -4.822 138 HD2 LYS 17 2HD LYS 17 10.953 -11.024 -4.659 139 HD3 LYS 17 3HD LYS 17 11.254 -12.735 -4.974 140 HE2 LYS 17 2HE LYS 17 9.901 -12.618 -6.992 141 HE3 LYS 17 3HE LYS 17 9.532 -10.925 -6.665 142 HZ1 LYS 17 3HZ LYS 17 11.992 -12.130 -7.673 143 HZ2 LYS 17 1HZ LYS 17 12.155 -10.794 -6.648 144 HZ3 LYS 17 2HZ LYS 17 11.263 -10.658 -8.079 145 H LEU 18 HN LEU 18 7.832 -10.692 -0.417 146 HA LEU 18 HA LEU 18 9.790 -10.880 1.532 147 HB2 LEU 18 2HB LEU 18 6.954 -9.928 1.903 148 HB3 LEU 18 3HB LEU 18 8.324 -9.543 2.943 149 HG LEU 18 HG LEU 18 8.274 -8.758 0.043 150 HD11 LEU 18 1HD1 LEU 18 7.434 -6.929 2.263 151 HD12 LEU 18 2HD1 LEU 18 6.261 -7.917 1.393 152 HD13 LEU 18 3HD1 LEU 18 7.233 -6.731 0.522 153 HD21 LEU 18 3HD2 LEU 18 9.822 -7.009 0.884 154 HD22 LEU 18 1HD2 LEU 18 10.431 -8.650 1.098 155 HD23 LEU 18 2HD2 LEU 18 9.763 -7.772 2.474 156 H ASP 19 HN ASP 19 9.257 -11.312 3.932 157 HA ASP 19 HA ASP 19 8.980 -14.022 4.352 158 HB2 ASP 19 2HB ASP 19 9.716 -12.032 5.939 159 HB3 ASP 19 3HB ASP 19 8.052 -12.168 6.501 160 H ARG 20 HN ARG 20 7.273 -15.139 5.656 161 HA ARG 20 HA ARG 20 4.756 -14.873 4.324 162 HB2 ARG 20 2HB ARG 20 5.579 -17.074 4.921 163 HB3 ARG 20 3HB ARG 20 5.627 -16.631 6.622 164 HG2 ARG 20 2HG ARG 20 3.670 -17.775 6.597 165 HG3 ARG 20 3HG ARG 20 3.056 -16.169 6.196 166 HD2 ARG 20 2HD ARG 20 3.178 -16.753 3.804 167 HD3 ARG 20 3HD ARG 20 3.716 -18.373 4.246 168 HE ARG 20 HE ARG 20 1.540 -18.912 4.634 169 HH11 ARG 20 2HH1 ARG 20 1.874 -15.455 4.871 170 HH12 ARG 20 1HH1 ARG 20 0.180 -15.176 5.099 171 HH21 ARG 20 2HH2 ARG 20 -0.694 -18.558 4.933 172 HH22 ARG 20 1HH2 ARG 20 -1.280 -16.941 5.135 173 H GLU 21 HN GLU 21 5.805 -14.477 7.704 174 HA GLU 21 HA GLU 21 3.337 -13.690 8.752 175 HB2 GLU 21 2HB GLU 21 5.658 -14.245 9.889 176 HB3 GLU 21 3HB GLU 21 5.856 -12.500 9.828 177 HG2 GLU 21 2HG GLU 21 4.200 -12.113 11.347 178 HG3 GLU 21 3HG GLU 21 3.325 -13.586 10.935 179 H VAL 22 HN VAL 22 6.016 -11.709 7.511 180 HA VAL 22 HA VAL 22 4.898 -9.198 7.982 181 HB VAL 22 HB VAL 22 6.745 -10.043 5.745 182 HG11 VAL 22 1HG1 VAL 22 7.273 -7.745 5.421 183 HG12 VAL 22 2HG1 VAL 22 5.515 -7.886 5.366 184 HG13 VAL 22 3HG1 VAL 22 6.307 -7.262 6.814 185 HG21 VAL 22 3HG2 VAL 22 7.118 -9.491 8.596 186 HG22 VAL 22 1HG2 VAL 22 8.148 -10.368 7.464 187 HG23 VAL 22 2HG2 VAL 22 8.221 -8.607 7.541 188 H ALA 23 HN ALA 23 4.844 -11.100 4.964 189 HA ALA 23 HA ALA 23 3.325 -9.449 3.388 190 HB1 ALA 23 1HB ALA 23 2.379 -11.831 2.579 191 HB2 ALA 23 2HB ALA 23 3.980 -11.223 2.158 192 HB3 ALA 23 3HB ALA 23 3.791 -12.358 3.494 193 H ARG 24 HN ARG 24 2.055 -12.049 5.477 194 HA ARG 24 HA ARG 24 -0.654 -11.538 5.046 195 HB2 ARG 24 2HB ARG 24 0.321 -13.563 6.164 196 HB3 ARG 24 3HB ARG 24 0.569 -12.583 7.603 197 HG2 ARG 24 2HG ARG 24 -1.993 -12.099 7.337 198 HG3 ARG 24 3HG ARG 24 -1.959 -13.603 6.415 199 HD2 ARG 24 2HD ARG 24 -1.443 -14.873 8.242 200 HD3 ARG 24 3HD ARG 24 -0.592 -13.557 9.050 201 HE ARG 24 HE ARG 24 -3.233 -12.802 9.003 202 HH11 ARG 24 2HH1 ARG 24 -1.409 -15.492 10.253 203 HH12 ARG 24 1HH1 ARG 24 -2.492 -15.780 11.574 204 HH21 ARG 24 2HH2 ARG 24 -4.666 -13.172 10.739 205 HH22 ARG 24 1HH2 ARG 24 -4.345 -14.461 11.849 206 H ARG 25 HN ARG 25 1.538 -10.276 7.533 207 HA ARG 25 HA ARG 25 -0.335 -8.823 9.009 208 HB2 ARG 25 2HB ARG 25 1.707 -8.991 10.074 209 HB3 ARG 25 3HB ARG 25 2.618 -8.642 8.611 210 HG2 ARG 25 2HG ARG 25 1.983 -6.297 8.757 211 HG3 ARG 25 3HG ARG 25 1.035 -6.638 10.205 212 HD2 ARG 25 2HD ARG 25 2.971 -5.921 11.178 213 HD3 ARG 25 3HD ARG 25 3.330 -7.642 11.040 214 HE ARG 25 HE ARG 25 4.184 -6.231 8.729 215 HH11 ARG 25 2HH1 ARG 25 5.011 -6.856 12.053 216 HH12 ARG 25 1HH1 ARG 25 6.709 -6.607 11.813 217 HH21 ARG 25 2HH2 ARG 25 6.417 -5.901 8.401 218 HH22 ARG 25 1HH2 ARG 25 7.508 -6.063 9.736 219 H ILE 26 HN ILE 26 1.441 -7.994 6.085 220 HA ILE 26 HA ILE 26 0.795 -5.255 6.006 221 HB ILE 26 HB ILE 26 1.551 -7.221 3.861 222 HG12 ILE 26 2HG1 ILE 26 2.976 -4.778 4.930 223 HG13 ILE 26 3HG1 ILE 26 3.252 -6.415 5.515 224 HG21 ILE 26 1HG2 ILE 26 0.626 -4.397 3.574 225 HG22 ILE 26 2HG2 ILE 26 1.861 -5.030 2.487 226 HG23 ILE 26 3HG2 ILE 26 0.277 -5.802 2.566 227 HD11 ILE 26 3HD1 ILE 26 4.768 -6.693 3.939 228 HD12 ILE 26 1HD1 ILE 26 3.520 -6.481 2.711 229 HD13 ILE 26 2HD1 ILE 26 4.426 -5.086 3.297 230 H LEU 27 HN LEU 27 -0.625 -7.911 4.086 231 HA LEU 27 HA LEU 27 -2.729 -6.480 2.991 232 HB2 LEU 27 2HB LEU 27 -2.372 -9.377 3.658 233 HB3 LEU 27 3HB LEU 27 -3.883 -8.790 2.969 234 HG LEU 27 HG LEU 27 -1.242 -8.321 1.616 235 HD11 LEU 27 1HD1 LEU 27 -2.139 -10.324 0.177 236 HD12 LEU 27 2HD1 LEU 27 -2.911 -10.785 1.694 237 HD13 LEU 27 3HD1 LEU 27 -1.158 -10.609 1.615 238 HD21 LEU 27 3HD2 LEU 27 -2.612 -7.085 0.354 239 HD22 LEU 27 1HD2 LEU 27 -4.060 -7.816 1.046 240 HD23 LEU 27 2HD2 LEU 27 -3.207 -8.625 -0.268 241 H ARG 28 HN ARG 28 -2.726 -8.449 5.957 242 HA ARG 28 HA ARG 28 -5.383 -7.997 6.690 243 HB2 ARG 28 2HB ARG 28 -3.561 -9.600 7.677 244 HB3 ARG 28 3HB ARG 28 -3.236 -8.254 8.761 245 HG2 ARG 28 2HG ARG 28 -5.624 -8.282 9.429 246 HG3 ARG 28 3HG ARG 28 -5.840 -9.725 8.437 247 HD2 ARG 28 2HD ARG 28 -4.628 -11.052 9.859 248 HD3 ARG 28 3HD ARG 28 -3.656 -9.707 10.456 249 HE ARG 28 HE ARG 28 -6.007 -10.716 11.632 250 HH11 ARG 28 2HH1 ARG 28 -4.434 -7.700 10.893 251 HH12 ARG 28 1HH1 ARG 28 -5.170 -6.844 12.207 252 HH21 ARG 28 2HH2 ARG 28 -6.982 -9.601 13.366 253 HH22 ARG 28 1HH2 ARG 28 -6.619 -7.926 13.614 254 H PHE 29 HN PHE 29 -2.455 -6.147 7.384 255 HA PHE 29 HA PHE 29 -3.518 -4.338 9.223 256 HB2 PHE 29 2HB PHE 29 -1.182 -4.311 9.008 257 HB3 PHE 29 3HB PHE 29 -1.254 -4.168 7.254 258 HD1 PHE 29 1HD PHE 29 -1.948 -2.328 10.398 259 HD2 PHE 29 2HD PHE 29 -1.138 -2.081 6.227 260 HE1 PHE 29 1HE PHE 29 -1.703 0.112 10.594 261 HE2 PHE 29 2HE PHE 29 -0.890 0.360 6.416 262 HZ PHE 29 HZ PHE 29 -1.172 1.459 8.602 263 H LEU 30 HN LEU 30 -3.547 -4.314 5.700 264 HA LEU 30 HA LEU 30 -4.844 -1.728 5.593 265 HB2 LEU 30 2HB LEU 30 -3.982 -3.731 3.533 266 HB3 LEU 30 3HB LEU 30 -4.994 -2.352 3.105 267 HG LEU 30 HG LEU 30 -2.402 -1.896 4.522 268 HD11 LEU 30 1HD1 LEU 30 -1.397 -3.066 2.866 269 HD12 LEU 30 2HD1 LEU 30 -1.636 -1.557 1.988 270 HD13 LEU 30 3HD1 LEU 30 -2.762 -2.895 1.762 271 HD21 LEU 30 3HD2 LEU 30 -2.897 0.226 4.108 272 HD22 LEU 30 1HD2 LEU 30 -4.446 -0.295 3.445 273 HD23 LEU 30 2HD2 LEU 30 -3.050 -0.107 2.382 274 H ARG 31 HN ARG 31 -5.739 -5.060 5.650 275 HA ARG 31 HA ARG 31 -8.420 -4.547 4.646 276 HB2 ARG 31 2HB ARG 31 -6.990 -7.038 5.560 277 HB3 ARG 31 3HB ARG 31 -8.710 -7.026 5.192 278 HG2 ARG 31 2HG ARG 31 -8.330 -6.546 2.922 279 HG3 ARG 31 3HG ARG 31 -6.647 -6.103 3.218 280 HD2 ARG 31 2HD ARG 31 -6.653 -8.264 2.214 281 HD3 ARG 31 3HD ARG 31 -6.237 -8.471 3.915 282 HE ARG 31 HE ARG 31 -8.099 -9.760 4.141 283 HH11 ARG 31 2HH1 ARG 31 -8.514 -7.704 1.362 284 HH12 ARG 31 1HH1 ARG 31 -10.027 -8.412 0.901 285 HH21 ARG 31 2HH2 ARG 31 -10.090 -10.700 3.545 286 HH22 ARG 31 1HH2 ARG 31 -10.923 -10.116 2.144 287 H GLU 32 HN GLU 32 -6.817 -4.309 7.567 288 HA GLU 32 HA GLU 32 -9.312 -4.700 9.086 289 HB2 GLU 32 2HB GLU 32 -6.438 -4.940 9.980 290 HB3 GLU 32 3HB GLU 32 -7.804 -4.939 11.085 291 HG2 GLU 32 2HG GLU 32 -7.114 -6.979 8.997 292 HG3 GLU 32 3HG GLU 32 -7.213 -7.193 10.744 293 H ARG 33 HN ARG 33 -6.270 -2.892 9.537 294 HA ARG 33 HA ARG 33 -7.444 -0.806 11.004 295 HB2 ARG 33 2HB ARG 33 -4.916 -0.692 9.351 296 HB3 ARG 33 3HB ARG 33 -5.351 0.386 10.670 297 HG2 ARG 33 2HG ARG 33 -5.136 -2.552 11.155 298 HG3 ARG 33 3HG ARG 33 -3.684 -1.552 11.085 299 HD2 ARG 33 2HD ARG 33 -4.132 -1.411 13.317 300 HD3 ARG 33 3HD ARG 33 -5.079 -0.040 12.742 301 HE ARG 33 HE ARG 33 -6.845 -2.084 12.659 302 HH11 ARG 33 2HH1 ARG 33 -4.720 -0.862 15.131 303 HH12 ARG 33 1HH1 ARG 33 -5.755 -1.336 16.437 304 HH21 ARG 33 2HH2 ARG 33 -8.216 -2.712 14.370 305 HH22 ARG 33 1HH2 ARG 33 -7.743 -2.389 16.004 306 H VAL 34 HN VAL 34 -5.985 -0.415 7.779 307 HA VAL 34 HA VAL 34 -7.227 1.980 7.149 308 HB VAL 34 HB VAL 34 -6.383 -0.195 5.228 309 HG11 VAL 34 1HG1 VAL 34 -7.620 2.382 4.817 310 HG12 VAL 34 2HG1 VAL 34 -6.032 2.303 4.050 311 HG13 VAL 34 3HG1 VAL 34 -7.266 1.105 3.653 312 HG21 VAL 34 3HG2 VAL 34 -4.822 1.243 7.004 313 HG22 VAL 34 1HG2 VAL 34 -4.260 0.397 5.562 314 HG23 VAL 34 2HG2 VAL 34 -4.646 2.116 5.482 315 H ALA 35 HN ALA 35 -8.367 -1.321 6.711 316 HA ALA 35 HA ALA 35 -10.541 -0.862 5.036 317 HB1 ALA 35 1HB ALA 35 -9.851 -3.099 5.494 318 HB2 ALA 35 2HB ALA 35 -10.168 -2.904 7.219 319 HB3 ALA 35 3HB ALA 35 -11.508 -2.922 6.073 320 H THR 36 HN THR 36 -10.464 -0.914 8.599 321 HA THR 36 HA THR 36 -13.189 -0.112 8.864 322 HB THR 36 HB THR 36 -12.791 0.027 11.216 323 HG1 THR 36 1HG THR 36 -10.895 1.180 11.350 324 HG21 THR 36 3HG2 THR 36 -12.763 -2.203 11.177 325 HG22 THR 36 1HG2 THR 36 -11.003 -2.118 11.213 326 HG23 THR 36 2HG2 THR 36 -11.849 -2.223 9.669 327 H LEU 37 HN LEU 37 -10.103 1.568 8.820 328 HA LEU 37 HA LEU 37 -10.806 4.034 9.837 329 HB2 LEU 37 2HB LEU 37 -8.899 3.240 7.662 330 HB3 LEU 37 3HB LEU 37 -9.088 4.922 8.153 331 HG LEU 37 HG LEU 37 -8.303 2.730 10.063 332 HD11 LEU 37 1HD1 LEU 37 -6.294 2.681 9.128 333 HD12 LEU 37 2HD1 LEU 37 -6.105 4.386 9.536 334 HD13 LEU 37 3HD1 LEU 37 -6.755 3.923 7.964 335 HD21 LEU 37 3HD2 LEU 37 -7.628 5.608 10.386 336 HD22 LEU 37 1HD2 LEU 37 -7.944 4.375 11.606 337 HD23 LEU 37 2HD2 LEU 37 -9.284 5.092 10.710 338 H GLU 38 HN GLU 38 -12.631 5.078 9.333 339 HA GLU 38 HA GLU 38 -14.256 4.984 7.214 340 HB2 GLU 38 2HB GLU 38 -14.288 6.552 9.298 341 HB3 GLU 38 3HB GLU 38 -13.518 7.710 8.222 342 HG2 GLU 38 2HG GLU 38 -15.458 7.289 6.636 343 HG3 GLU 38 3HG GLU 38 -16.243 6.480 7.991 344 H ASP 39 HN ASP 39 -11.236 6.816 7.316 345 HA ASP 39 HA ASP 39 -11.360 7.027 4.384 346 HB2 ASP 39 2HB ASP 39 -10.025 9.168 6.000 347 HB3 ASP 39 3HB ASP 39 -10.697 9.254 4.374 348 HA PRO 40 HA PRO 40 -7.402 5.104 4.482 349 HB2 PRO 40 2HB PRO 40 -6.508 5.854 2.031 350 HB3 PRO 40 3HB PRO 40 -7.752 4.620 2.264 351 HG2 PRO 40 2HG PRO 40 -8.061 7.510 1.547 352 HG3 PRO 40 3HG PRO 40 -8.898 6.096 0.881 353 HD2 PRO 40 2HD PRO 40 -10.026 7.720 2.731 354 HD3 PRO 40 3HD PRO 40 -10.374 5.981 2.647 355 H ARG 41 HN ARG 41 -7.852 8.491 4.263 356 HA ARG 41 HA ARG 41 -4.998 9.077 4.376 357 HB2 ARG 41 2HB ARG 41 -7.414 10.894 4.324 358 HB3 ARG 41 3HB ARG 41 -5.746 11.453 4.357 359 HG2 ARG 41 2HG ARG 41 -5.371 10.229 2.217 360 HG3 ARG 41 3HG ARG 41 -7.103 9.893 2.172 361 HD2 ARG 41 2HD ARG 41 -6.040 12.688 2.437 362 HD3 ARG 41 3HD ARG 41 -6.237 11.919 0.863 363 HE ARG 41 HE ARG 41 -8.331 12.865 2.620 364 HH11 ARG 41 2HH1 ARG 41 -7.499 10.867 -0.108 365 HH12 ARG 41 1HH1 ARG 41 -9.107 10.851 -0.752 366 HH21 ARG 41 2HH2 ARG 41 -10.452 12.850 1.782 367 HH22 ARG 41 1HH2 ARG 41 -10.786 11.980 0.323 368 H SER 42 HN SER 42 -5.780 7.603 6.540 369 HA SER 42 HA SER 42 -5.911 9.572 8.728 370 HB2 SER 42 2HB SER 42 -7.813 8.043 8.747 371 HB3 SER 42 3HB SER 42 -6.727 6.655 8.718 372 HG SER 42 HG SER 42 -7.535 8.175 10.819 373 H LEU 43 HN LEU 43 -4.475 6.447 7.816 374 HA LEU 43 HA LEU 43 -2.402 6.796 9.840 375 HB2 LEU 43 2HB LEU 43 -3.270 4.529 8.090 376 HB3 LEU 43 3HB LEU 43 -1.689 4.501 8.867 377 HG LEU 43 HG LEU 43 -4.305 4.746 10.349 378 HD11 LEU 43 1HD1 LEU 43 -4.202 2.598 9.232 379 HD12 LEU 43 2HD1 LEU 43 -3.952 2.397 10.966 380 HD13 LEU 43 3HD1 LEU 43 -2.578 2.323 9.863 381 HD21 LEU 43 3HD2 LEU 43 -2.894 4.117 12.286 382 HD22 LEU 43 1HD2 LEU 43 -2.458 5.674 11.581 383 HD23 LEU 43 2HD2 LEU 43 -1.471 4.250 11.252 384 H GLY 44 HN GLY 44 -2.587 6.109 6.342 385 HA2 GLY 44 1HA GLY 44 0.150 6.425 5.812 386 HA3 GLY 44 2HA GLY 44 -1.138 6.593 4.630 387 H GLU 45 HN GLU 45 0.887 8.169 4.154 388 HA GLU 45 HA GLU 45 -0.101 10.819 4.916 389 HB2 GLU 45 2HB GLU 45 2.140 11.653 5.330 390 HB3 GLU 45 3HB GLU 45 1.799 10.302 6.402 391 HG2 GLU 45 2HG GLU 45 3.174 9.749 3.828 392 HG3 GLU 45 3HG GLU 45 4.089 10.511 5.128 393 HA PRO 46 HA PRO 46 0.291 11.614 0.606 394 HB2 PRO 46 2HB PRO 46 0.377 14.326 0.672 395 HB3 PRO 46 3HB PRO 46 -1.103 13.405 0.963 396 HG2 PRO 46 2HG PRO 46 0.778 14.643 2.936 397 HG3 PRO 46 3HG PRO 46 -0.996 14.634 2.934 398 HD2 PRO 46 2HD PRO 46 0.467 12.956 4.475 399 HD3 PRO 46 3HD PRO 46 -1.112 12.502 3.802 400 H LEU 47 HN LEU 47 1.723 12.584 -0.981 401 HA LEU 47 HA LEU 47 4.410 13.186 0.063 402 HB2 LEU 47 2HB LEU 47 3.583 11.287 -2.097 403 HB3 LEU 47 3HB LEU 47 5.173 12.047 -2.141 404 HG LEU 47 HG LEU 47 5.526 11.076 0.187 405 HD11 LEU 47 1HD1 LEU 47 4.000 9.769 1.151 406 HD12 LEU 47 2HD1 LEU 47 3.666 8.904 -0.349 407 HD13 LEU 47 3HD1 LEU 47 2.861 10.438 -0.019 408 HD21 LEU 47 3HD2 LEU 47 6.142 10.143 -2.268 409 HD22 LEU 47 1HD2 LEU 47 5.213 8.785 -1.634 410 HD23 LEU 47 2HD2 LEU 47 6.635 9.362 -0.765 411 H ARG 48 HN ARG 48 4.522 15.331 -0.299 412 HA ARG 48 HA ARG 48 3.869 16.299 -3.003 413 HB2 ARG 48 2HB ARG 48 3.721 17.606 -0.306 414 HB3 ARG 48 3HB ARG 48 3.886 18.585 -1.757 415 HG2 ARG 48 2HG ARG 48 1.750 16.525 -1.698 416 HG3 ARG 48 3HG ARG 48 1.530 17.990 -0.739 417 HD2 ARG 48 2HD ARG 48 0.602 18.661 -2.719 418 HD3 ARG 48 3HD ARG 48 2.272 19.163 -2.974 419 HE ARG 48 HE ARG 48 1.663 16.505 -3.912 420 HH11 ARG 48 2HH1 ARG 48 1.771 19.895 -4.696 421 HH12 ARG 48 1HH1 ARG 48 1.886 19.630 -6.404 422 HH21 ARG 48 2HH2 ARG 48 1.814 16.143 -6.159 423 HH22 ARG 48 1HH2 ARG 48 1.910 17.495 -7.235 424 H GLY 49 HN GLY 49 5.591 16.646 -4.233 425 HA2 GLY 49 1HA GLY 49 7.820 18.184 -3.257 426 HA3 GLY 49 2HA GLY 49 8.226 16.502 -3.564 427 HA PRO 50 HA PRO 50 8.778 18.984 -7.476 428 HB2 PRO 50 2HB PRO 50 11.327 18.173 -7.939 429 HB3 PRO 50 3HB PRO 50 10.932 19.579 -6.944 430 HG2 PRO 50 2HG PRO 50 11.632 16.795 -6.097 431 HG3 PRO 50 3HG PRO 50 12.178 18.340 -5.420 432 HD2 PRO 50 2HD PRO 50 10.217 16.861 -4.279 433 HD3 PRO 50 3HD PRO 50 10.242 18.635 -4.204 434 H GLU 51 HN GLU 51 9.744 15.688 -6.610 435 HA GLU 51 HA GLU 51 8.935 14.817 -9.307 436 HB2 GLU 51 2HB GLU 51 11.379 14.515 -8.614 437 HB3 GLU 51 3HB GLU 51 10.795 13.296 -7.490 438 HG2 GLU 51 2HG GLU 51 11.365 12.007 -9.289 439 HG3 GLU 51 3HG GLU 51 9.655 12.292 -9.604 440 H LEU 52 HN LEU 52 7.029 15.186 -7.314 441 HA LEU 52 HA LEU 52 6.018 12.472 -7.072 442 HB2 LEU 52 2HB LEU 52 6.242 14.291 -4.679 443 HB3 LEU 52 3HB LEU 52 5.481 12.703 -4.710 444 HG LEU 52 HG LEU 52 8.399 13.076 -5.324 445 HD11 LEU 52 1HD1 LEU 52 8.867 12.509 -2.994 446 HD12 LEU 52 2HD1 LEU 52 7.143 12.578 -2.628 447 HD13 LEU 52 3HD1 LEU 52 7.999 14.038 -3.124 448 HD21 LEU 52 3HD2 LEU 52 6.745 10.922 -5.611 449 HD22 LEU 52 1HD2 LEU 52 7.425 10.653 -4.006 450 HD23 LEU 52 2HD2 LEU 52 8.495 10.840 -5.396 451 H GLY 53 HN GLY 53 3.766 12.348 -6.894 452 HA2 GLY 53 1HA GLY 53 2.394 14.891 -7.485 453 HA3 GLY 53 2HA GLY 53 1.846 13.305 -8.010 454 H ARG 54 HN ARG 54 0.072 12.684 -6.994 455 HA ARG 54 HA ARG 54 -0.290 13.492 -4.184 456 HB2 ARG 54 2HB ARG 54 -1.921 14.344 -5.975 457 HB3 ARG 54 3HB ARG 54 -2.515 12.691 -6.045 458 HG2 ARG 54 2HG ARG 54 -3.127 12.781 -3.702 459 HG3 ARG 54 3HG ARG 54 -2.462 14.411 -3.574 460 HD2 ARG 54 2HD ARG 54 -4.719 13.621 -5.410 461 HD3 ARG 54 3HD ARG 54 -4.935 14.350 -3.820 462 HE ARG 54 HE ARG 54 -3.232 15.899 -5.516 463 HH11 ARG 54 2HH1 ARG 54 -6.549 15.177 -4.745 464 HH12 ARG 54 1HH1 ARG 54 -7.149 16.699 -5.315 465 HH21 ARG 54 2HH2 ARG 54 -4.010 17.906 -6.269 466 HH22 ARG 54 1HH2 ARG 54 -5.704 18.251 -6.182 467 H PHE 55 HN PHE 55 1.249 11.312 -4.532 468 HA PHE 55 HA PHE 55 -0.411 8.928 -4.404 469 HB2 PHE 55 2HB PHE 55 2.585 9.159 -4.067 470 HB3 PHE 55 3HB PHE 55 1.665 7.689 -4.372 471 HD1 PHE 55 1HD PHE 55 0.623 7.321 -6.579 472 HD2 PHE 55 2HD PHE 55 3.200 10.624 -5.827 473 HE1 PHE 55 1HE PHE 55 0.908 7.645 -9.001 474 HE2 PHE 55 2HE PHE 55 3.489 10.954 -8.248 475 HZ PHE 55 HZ PHE 55 2.342 9.464 -9.838 476 H TRP 56 HN TRP 56 -0.948 7.854 -2.594 477 HA TRP 56 HA TRP 56 -0.167 9.054 -0.043 478 HB2 TRP 56 2HB TRP 56 -2.615 8.445 -0.854 479 HB3 TRP 56 3HB TRP 56 -2.182 6.857 -0.227 480 HD1 TRP 56 1HD TRP 56 -2.015 6.575 2.395 481 HE1 TRP 56 1HE TRP 56 -2.722 8.070 4.367 482 HE3 TRP 56 3HE TRP 56 -2.792 10.947 -0.139 483 HZ2 TRP 56 2HZ TRP 56 -3.506 10.748 4.792 484 HZ3 TRP 56 3HZ TRP 56 -3.520 12.929 1.124 485 HH2 TRP 56 2HH TRP 56 -3.870 12.829 3.539 486 H LYS 57 HN LYS 57 1.321 8.142 1.200 487 HA LYS 57 HA LYS 57 2.134 5.380 0.635 488 HB2 LYS 57 2HB LYS 57 3.880 7.122 0.543 489 HB3 LYS 57 3HB LYS 57 3.553 7.529 2.222 490 HG2 LYS 57 2HG LYS 57 4.277 5.322 2.924 491 HG3 LYS 57 3HG LYS 57 4.548 4.860 1.241 492 HD2 LYS 57 2HD LYS 57 6.048 6.874 2.894 493 HD3 LYS 57 3HD LYS 57 6.672 5.433 2.087 494 HE2 LYS 57 2HE LYS 57 5.916 6.576 -0.086 495 HE3 LYS 57 3HE LYS 57 5.812 8.045 0.882 496 HZ1 LYS 57 3HZ LYS 57 7.991 8.299 0.717 497 HZ2 LYS 57 1HZ LYS 57 8.072 6.950 -0.301 498 HZ3 LYS 57 2HZ LYS 57 8.275 6.763 1.368 499 H TYR 58 HN TYR 58 2.423 3.868 2.313 500 HA TYR 58 HA TYR 58 1.048 4.537 4.831 501 HB2 TYR 58 2HB TYR 58 0.809 2.066 3.123 502 HB3 TYR 58 3HB TYR 58 0.358 2.067 4.825 503 HD1 TYR 58 1HD TYR 58 -1.394 3.801 5.570 504 HD2 TYR 58 2HD TYR 58 -0.721 2.753 1.502 505 HE1 TYR 58 1HE TYR 58 -3.617 4.674 4.984 506 HE2 TYR 58 2HE TYR 58 -2.942 3.624 0.904 507 HH TYR 58 HH TYR 58 -5.112 4.975 3.373 508 H ARG 59 HN ARG 59 1.832 3.580 6.718 509 HA ARG 59 HA ARG 59 4.510 2.379 6.460 510 HB2 ARG 59 2HB ARG 59 4.780 4.468 7.531 511 HB3 ARG 59 3HB ARG 59 3.352 4.231 8.530 512 HG2 ARG 59 2HG ARG 59 4.444 2.722 9.941 513 HG3 ARG 59 3HG ARG 59 5.753 2.457 8.786 514 HD2 ARG 59 2HD ARG 59 6.531 3.844 10.610 515 HD3 ARG 59 3HD ARG 59 6.486 4.782 9.117 516 HE ARG 59 HE ARG 59 4.064 5.207 10.378 517 HH11 ARG 59 2HH1 ARG 59 7.435 5.745 11.063 518 HH12 ARG 59 1HH1 ARG 59 7.146 7.136 12.053 519 HH21 ARG 59 2HH2 ARG 59 3.671 7.038 11.681 520 HH22 ARG 59 1HH2 ARG 59 5.005 7.871 12.405 521 H VAL 60 HN VAL 60 4.799 0.389 7.231 522 HA VAL 60 HA VAL 60 2.852 -0.669 9.171 523 HB VAL 60 HB VAL 60 3.948 -2.120 6.759 524 HG11 VAL 60 1HG1 VAL 60 3.284 -3.194 9.242 525 HG12 VAL 60 2HG1 VAL 60 1.880 -3.506 8.218 526 HG13 VAL 60 3HG1 VAL 60 3.477 -4.068 7.723 527 HG21 VAL 60 3HG2 VAL 60 1.809 -0.436 6.879 528 HG22 VAL 60 1HG2 VAL 60 1.985 -1.763 5.731 529 HG23 VAL 60 2HG2 VAL 60 1.054 -1.995 7.211 530 H GLY 61 HN GLY 61 4.294 -0.383 10.884 531 HA2 GLY 61 1HA GLY 61 5.993 -0.959 12.315 532 HA3 GLY 61 2HA GLY 61 5.982 -2.514 11.495 533 H ASP 62 HN ASP 62 7.332 -2.791 9.627 534 HA ASP 62 HA ASP 62 9.478 -0.801 9.363 535 HB2 ASP 62 2HB ASP 62 9.826 -3.778 9.753 536 HB3 ASP 62 3HB ASP 62 11.113 -2.705 9.209 537 H TYR 63 HN TYR 63 7.249 -1.177 7.664 538 HA TYR 63 HA TYR 63 8.653 -1.811 5.192 539 HB2 TYR 63 2HB TYR 63 6.068 -3.136 6.024 540 HB3 TYR 63 3HB TYR 63 6.684 -3.144 4.375 541 HD1 TYR 63 1HD TYR 63 7.567 -4.144 7.849 542 HD2 TYR 63 2HD TYR 63 8.193 -4.792 3.691 543 HE1 TYR 63 1HE TYR 63 8.908 -6.140 8.368 544 HE2 TYR 63 2HE TYR 63 9.534 -6.790 4.198 545 HH TYR 63 HH TYR 63 10.639 -7.892 5.864 546 H ARG 64 HN ARG 64 8.066 -0.532 3.517 547 HA ARG 64 HA ARG 64 5.954 1.441 4.050 548 HB2 ARG 64 2HB ARG 64 8.196 1.599 2.029 549 HB3 ARG 64 3HB ARG 64 7.083 2.887 2.469 550 HG2 ARG 64 2HG ARG 64 8.950 1.620 4.449 551 HG3 ARG 64 3HG ARG 64 9.404 3.007 3.457 552 HD2 ARG 64 2HD ARG 64 6.868 3.110 5.020 553 HD3 ARG 64 3HD ARG 64 8.400 3.332 5.864 554 HE ARG 64 HE ARG 64 8.245 4.986 3.560 555 HH11 ARG 64 2HH1 ARG 64 7.111 4.685 6.837 556 HH12 ARG 64 1HH1 ARG 64 6.892 6.389 7.057 557 HH21 ARG 64 2HH2 ARG 64 7.961 7.233 3.836 558 HH22 ARG 64 1HH2 ARG 64 7.375 7.838 5.348 559 H LEU 65 HN LEU 65 4.209 1.600 2.767 560 HA LEU 65 HA LEU 65 4.156 -0.026 0.311 561 HB2 LEU 65 2HB LEU 65 1.726 0.486 1.988 562 HB3 LEU 65 3HB LEU 65 1.974 -0.743 0.749 563 HG LEU 65 HG LEU 65 3.430 -0.768 3.384 564 HD11 LEU 65 1HD1 LEU 65 0.739 -1.866 2.651 565 HD12 LEU 65 2HD1 LEU 65 1.209 -0.937 4.074 566 HD13 LEU 65 3HD1 LEU 65 1.729 -2.613 3.905 567 HD21 LEU 65 3HD2 LEU 65 3.318 -2.471 0.994 568 HD22 LEU 65 1HD2 LEU 65 3.188 -3.330 2.529 569 HD23 LEU 65 2HD2 LEU 65 4.583 -2.299 2.211 570 H ILE 66 HN ILE 66 4.016 1.244 -1.407 571 HA ILE 66 HA ILE 66 2.888 3.915 -1.176 572 HB ILE 66 HB ILE 66 3.993 2.688 -3.691 573 HG12 ILE 66 2HG1 ILE 66 5.616 2.417 -1.810 574 HG13 ILE 66 3HG1 ILE 66 6.194 3.476 -3.092 575 HG21 ILE 66 1HG2 ILE 66 2.748 4.832 -3.813 576 HG22 ILE 66 2HG2 ILE 66 3.943 5.544 -2.730 577 HG23 ILE 66 3HG2 ILE 66 4.431 4.965 -4.323 578 HD11 ILE 66 3HD1 ILE 66 4.815 4.680 -0.750 579 HD12 ILE 66 1HD1 ILE 66 6.478 4.121 -0.577 580 HD13 ILE 66 2HD1 ILE 66 6.080 5.345 -1.783 581 H CYS 67 HN CYS 67 0.701 3.819 -1.127 582 HA CYS 67 HA CYS 67 -0.661 2.284 -3.231 583 HB2 CYS 67 2HB CYS 67 -1.612 3.331 -0.564 584 HB3 CYS 67 3HB CYS 67 -2.712 2.697 -1.783 585 HG CYS 67 HG CYS 67 -0.147 0.862 -0.462 586 H HIS 68 HN HIS 68 -2.722 3.312 -4.043 587 HA HIS 68 HA HIS 68 -2.387 6.223 -4.340 588 HB2 HIS 68 2HB HIS 68 -1.665 4.920 -6.370 589 HB3 HIS 68 3HB HIS 68 -3.327 4.360 -6.527 590 HD2 HIS 68 2HD HIS 68 -2.525 8.112 -5.723 591 HE1 HIS 68 1HE HIS 68 -4.172 7.860 -9.624 592 HE2 HIS 68 2HE HIS 68 -3.325 9.399 -7.819 593 H ILE 69 HN ILE 69 -4.022 7.070 -3.213 594 HA ILE 69 HA ILE 69 -6.552 5.758 -2.920 595 HB ILE 69 HB ILE 69 -5.697 8.554 -2.167 596 HG12 ILE 69 2HG1 ILE 69 -6.097 6.107 -0.435 597 HG13 ILE 69 3HG1 ILE 69 -4.530 6.664 -1.012 598 HG21 ILE 69 1HG2 ILE 69 -8.178 8.181 -2.545 599 HG22 ILE 69 2HG2 ILE 69 -8.121 7.095 -1.158 600 HG23 ILE 69 3HG2 ILE 69 -7.706 8.797 -0.962 601 HD11 ILE 69 3HD1 ILE 69 -6.308 8.486 0.550 602 HD12 ILE 69 1HD1 ILE 69 -5.293 7.295 1.362 603 HD13 ILE 69 2HD1 ILE 69 -4.557 8.535 0.346 604 H GLN 70 HN GLN 70 -8.032 5.699 -4.469 605 HA GLN 70 HA GLN 70 -8.209 7.943 -6.357 606 HB2 GLN 70 2HB GLN 70 -9.111 5.071 -6.557 607 HB3 GLN 70 3HB GLN 70 -9.573 6.301 -7.725 608 HG2 GLN 70 2HG GLN 70 -7.298 6.636 -8.374 609 HG3 GLN 70 3HG GLN 70 -6.725 5.590 -7.076 610 HE21 GLN 70 1HE2 GLN 70 -5.901 5.089 -9.588 611 HE22 GLN 70 2HE2 GLN 70 -6.650 3.657 -10.200 612 H ASP 71 HN ASP 71 -9.456 9.345 -5.119 613 HA ASP 71 HA ASP 71 -11.754 8.698 -3.681 614 HB2 ASP 71 2HB ASP 71 -10.376 10.936 -3.885 615 HB3 ASP 71 3HB ASP 71 -11.582 11.319 -5.111 616 H ARG 72 HN ARG 72 -11.343 9.515 -7.088 617 HA ARG 72 HA ARG 72 -13.913 9.915 -7.919 618 HB2 ARG 72 2HB ARG 72 -13.227 8.892 -10.090 619 HB3 ARG 72 3HB ARG 72 -12.090 10.083 -9.473 620 HG2 ARG 72 2HG ARG 72 -10.525 8.450 -8.876 621 HG3 ARG 72 3HG ARG 72 -11.714 7.150 -8.984 622 HD2 ARG 72 2HD ARG 72 -11.628 7.079 -11.280 623 HD3 ARG 72 3HD ARG 72 -11.113 8.760 -11.418 624 HE ARG 72 HE ARG 72 -9.099 7.241 -10.157 625 HH11 ARG 72 2HH1 ARG 72 -10.582 7.737 -13.268 626 HH12 ARG 72 1HH1 ARG 72 -9.163 7.298 -14.160 627 HH21 ARG 72 2HH2 ARG 72 -7.224 6.662 -11.320 628 HH22 ARG 72 1HH2 ARG 72 -7.254 6.686 -13.051 629 H GLU 73 HN GLU 73 -12.359 6.829 -7.197 630 HA GLU 73 HA GLU 73 -15.001 5.540 -7.403 631 HB2 GLU 73 2HB GLU 73 -12.282 4.378 -8.024 632 HB3 GLU 73 3HB GLU 73 -13.760 3.431 -7.926 633 HG2 GLU 73 2HG GLU 73 -13.137 5.616 -9.895 634 HG3 GLU 73 3HG GLU 73 -13.266 3.889 -10.223 635 H ALA 74 HN ALA 74 -12.979 6.703 -5.231 636 HA ALA 74 HA ALA 74 -12.367 6.224 -3.080 637 HB1 ALA 74 1HB ALA 74 -14.621 4.530 -2.441 638 HB2 ALA 74 2HB ALA 74 -14.232 6.153 -1.869 639 HB3 ALA 74 3HB ALA 74 -15.112 5.939 -3.382 640 H THR 75 HN THR 75 -11.041 4.555 -4.774 641 HA THR 75 HA THR 75 -10.961 2.052 -3.231 642 HB THR 75 HB THR 75 -10.627 2.250 -6.231 643 HG1 THR 75 1HG THR 75 -12.621 0.751 -4.914 644 HG21 THR 75 3HG2 THR 75 -9.431 0.376 -5.981 645 HG22 THR 75 1HG2 THR 75 -10.944 -0.405 -5.523 646 HG23 THR 75 2HG2 THR 75 -9.869 0.231 -4.279 647 H VAL 76 HN VAL 76 -8.988 1.457 -2.555 648 HA VAL 76 HA VAL 76 -6.726 3.145 -3.319 649 HB VAL 76 HB VAL 76 -6.843 1.066 -1.132 650 HG11 VAL 76 1HG1 VAL 76 -4.638 1.411 -1.110 651 HG12 VAL 76 2HG1 VAL 76 -4.763 2.804 -2.187 652 HG13 VAL 76 3HG1 VAL 76 -5.006 3.005 -0.451 653 HG21 VAL 76 3HG2 VAL 76 -8.518 2.831 -0.779 654 HG22 VAL 76 1HG2 VAL 76 -7.224 2.897 0.417 655 HG23 VAL 76 2HG2 VAL 76 -7.250 4.048 -0.918 656 H LEU 77 HN LEU 77 -5.194 2.469 -4.663 657 HA LEU 77 HA LEU 77 -4.926 -0.426 -5.143 658 HB2 LEU 77 2HB LEU 77 -5.850 0.442 -7.112 659 HB3 LEU 77 3HB LEU 77 -4.847 1.890 -7.046 660 HG LEU 77 HG LEU 77 -2.915 0.086 -7.371 661 HD11 LEU 77 1HD1 LEU 77 -5.057 -1.573 -7.520 662 HD12 LEU 77 2HD1 LEU 77 -3.494 -1.883 -8.275 663 HD13 LEU 77 3HD1 LEU 77 -4.806 -1.180 -9.221 664 HD21 LEU 77 3HD2 LEU 77 -3.581 2.080 -8.790 665 HD22 LEU 77 1HD2 LEU 77 -4.573 0.959 -9.722 666 HD23 LEU 77 2HD2 LEU 77 -2.826 0.729 -9.636 667 H VAL 78 HN VAL 78 -2.984 -1.269 -4.765 668 HA VAL 78 HA VAL 78 -0.834 0.393 -3.854 669 HB VAL 78 HB VAL 78 -0.633 -2.548 -4.471 670 HG11 VAL 78 1HG1 VAL 78 0.733 -0.844 -2.390 671 HG12 VAL 78 2HG1 VAL 78 1.050 -2.545 -2.738 672 HG13 VAL 78 3HG1 VAL 78 1.439 -1.311 -3.937 673 HG21 VAL 78 3HG2 VAL 78 -2.289 -2.891 -3.010 674 HG22 VAL 78 1HG2 VAL 78 -1.151 -2.356 -1.772 675 HG23 VAL 78 2HG2 VAL 78 -2.285 -1.208 -2.483 676 H LEU 79 HN LEU 79 1.084 0.868 -4.841 677 HA LEU 79 HA LEU 79 1.307 0.121 -7.682 678 HB2 LEU 79 2HB LEU 79 2.147 2.635 -6.255 679 HB3 LEU 79 3HB LEU 79 2.646 2.237 -7.897 680 HG LEU 79 HG LEU 79 -0.230 2.561 -7.056 681 HD11 LEU 79 1HD1 LEU 79 -0.153 4.764 -8.046 682 HD12 LEU 79 2HD1 LEU 79 1.559 4.567 -8.420 683 HD13 LEU 79 3HD1 LEU 79 1.028 4.654 -6.741 684 HD21 LEU 79 3HD2 LEU 79 -0.599 2.773 -9.475 685 HD22 LEU 79 1HD2 LEU 79 0.087 1.206 -9.044 686 HD23 LEU 79 2HD2 LEU 79 1.114 2.452 -9.755 687 H ARG 80 HN ARG 80 3.075 0.698 -4.683 688 HA ARG 80 HA ARG 80 5.177 -1.096 -5.645 689 HB2 ARG 80 2HB ARG 80 5.573 1.713 -4.645 690 HB3 ARG 80 3HB ARG 80 6.846 0.508 -4.503 691 HG2 ARG 80 2HG ARG 80 5.555 1.008 -7.148 692 HG3 ARG 80 3HG ARG 80 6.801 2.102 -6.544 693 HD2 ARG 80 2HD ARG 80 7.075 -0.874 -6.956 694 HD3 ARG 80 3HD ARG 80 7.779 0.389 -7.965 695 HE ARG 80 HE ARG 80 8.614 0.702 -5.284 696 HH11 ARG 80 2HH1 ARG 80 9.104 -1.311 -8.082 697 HH12 ARG 80 1HH1 ARG 80 10.723 -1.748 -7.645 698 HH21 ARG 80 2HH2 ARG 80 10.744 0.134 -4.699 699 HH22 ARG 80 1HH2 ARG 80 11.655 -0.927 -5.720 700 H VAL 81 HN VAL 81 6.400 -2.099 -3.968 701 HA VAL 81 HA VAL 81 5.535 -1.691 -1.220 702 HB VAL 81 HB VAL 81 4.007 -3.419 -2.347 703 HG11 VAL 81 1HG1 VAL 81 4.793 -5.558 -2.798 704 HG12 VAL 81 2HG1 VAL 81 6.077 -4.524 -3.428 705 HG13 VAL 81 3HG1 VAL 81 6.270 -5.319 -1.866 706 HG21 VAL 81 3HG2 VAL 81 5.070 -4.908 -0.121 707 HG22 VAL 81 1HG2 VAL 81 5.029 -3.182 0.240 708 HG23 VAL 81 2HG2 VAL 81 3.555 -4.016 -0.252 709 H GLY 82 HN GLY 82 7.342 -1.578 -0.071 710 HA2 GLY 82 1HA GLY 82 9.356 -3.639 -0.287 711 HA3 GLY 82 2HA GLY 82 9.897 -2.057 -0.827 712 H HIS 83 HN HIS 83 11.005 -3.498 1.346 713 HA HIS 83 HA HIS 83 10.007 -2.647 3.844 714 HB2 HIS 83 2HB HIS 83 11.621 -4.531 3.487 715 HB3 HIS 83 3HB HIS 83 12.873 -3.334 3.169 716 HD2 HIS 83 2HD HIS 83 12.711 -5.451 5.854 717 HE1 HIS 83 1HE HIS 83 12.533 -1.755 7.929 718 HE2 HIS 83 2HE HIS 83 13.060 -4.212 8.098 719 H ALA 84 HN ALA 84 10.491 -0.912 5.132 720 HA ALA 84 HA ALA 84 10.955 1.558 4.035 721 HB1 ALA 84 1HB ALA 84 10.367 2.103 6.103 722 HB2 ALA 84 2HB ALA 84 10.733 0.475 6.675 723 HB3 ALA 84 3HB ALA 84 11.999 1.702 6.640 724 H ARG 85 HN ARG 85 13.366 -0.398 5.797 725 HA ARG 85 HA ARG 85 15.562 1.233 5.478 726 HB2 ARG 85 2HB ARG 85 16.910 -0.639 5.975 727 HB3 ARG 85 3HB ARG 85 15.380 -0.942 6.789 728 HG2 ARG 85 2HG ARG 85 15.704 -2.982 5.858 729 HG3 ARG 85 3HG ARG 85 14.849 -2.205 4.524 730 HD2 ARG 85 2HD ARG 85 16.684 -3.219 3.501 731 HD3 ARG 85 3HD ARG 85 17.174 -1.535 3.681 732 HE ARG 85 HE ARG 85 17.999 -3.116 5.901 733 HH11 ARG 85 2HH1 ARG 85 18.771 -2.319 2.601 734 HH12 ARG 85 1HH1 ARG 85 20.459 -2.671 2.774 735 HH21 ARG 85 2HH2 ARG 85 20.219 -3.582 6.141 736 HH22 ARG 85 1HH2 ARG 85 21.281 -3.390 4.787 737 H ASP 86 HN ASP 86 14.011 -0.825 3.137 738 HA ASP 86 HA ASP 86 16.179 -0.468 1.216 739 HB2 ASP 86 2HB ASP 86 13.753 -2.203 1.371 740 HB3 ASP 86 3HB ASP 86 14.416 -1.830 -0.218 741 H VAL 87 HN VAL 87 12.655 -0.316 0.770 742 HA VAL 87 HA VAL 87 12.528 1.294 -1.404 743 HB VAL 87 HB VAL 87 10.561 0.291 -0.256 744 HG11 VAL 87 1HG1 VAL 87 10.057 0.810 1.842 745 HG12 VAL 87 2HG1 VAL 87 11.446 1.897 1.891 746 HG13 VAL 87 3HG1 VAL 87 9.863 2.506 1.403 747 HG21 VAL 87 3HG2 VAL 87 8.998 2.014 -0.901 748 HG22 VAL 87 1HG2 VAL 87 10.262 3.240 -0.811 749 HG23 VAL 87 2HG2 VAL 87 10.337 1.985 -2.047 750 H TYR 88 HN TYR 88 13.319 2.263 1.847 751 HA TYR 88 HA TYR 88 13.761 5.004 0.869 752 HB2 TYR 88 2HB TYR 88 11.769 4.521 2.549 753 HB3 TYR 88 3HB TYR 88 13.066 4.560 3.739 754 HD1 TYR 88 1HD TYR 88 14.552 6.643 3.804 755 HD2 TYR 88 2HD TYR 88 10.824 6.510 1.757 756 HE1 TYR 88 1HE TYR 88 14.451 9.100 3.840 757 HE2 TYR 88 2HE TYR 88 10.714 8.967 1.786 758 HH TYR 88 HH TYR 88 12.516 10.889 1.933 759 H ARG 89 HN ARG 89 15.857 5.432 0.882 760 HA ARG 89 HA ARG 89 17.810 3.879 2.152 761 HB2 ARG 89 2HB ARG 89 18.430 5.200 0.262 762 HB3 ARG 89 3HB ARG 89 17.893 6.682 1.042 763 HG2 ARG 89 2HG ARG 89 20.303 6.564 1.035 764 HG3 ARG 89 3HG ARG 89 19.696 6.456 2.688 765 HD2 ARG 89 2HD ARG 89 19.954 4.021 2.617 766 HD3 ARG 89 3HD ARG 89 20.570 4.138 0.969 767 HE ARG 89 HE ARG 89 22.011 4.654 3.391 768 HH11 ARG 89 2HH1 ARG 89 21.787 5.421 0.002 769 HH12 ARG 89 1HH1 ARG 89 23.455 5.868 -0.140 770 HH21 ARG 89 2HH2 ARG 89 24.208 5.239 3.216 771 HH22 ARG 89 1HH2 ARG 89 24.832 5.763 1.688 Start of MODEL 5 1 H1 MET 1 HN MET 1 -19.657 1.931 4.647 2 HA MET 1 HA MET 1 -18.839 -0.614 3.962 3 HB2 MET 1 2HB MET 1 -20.097 1.266 2.608 4 HB3 MET 1 3HB MET 1 -18.487 1.599 1.984 5 HG2 MET 1 2HG MET 1 -18.298 -0.608 1.097 6 HG3 MET 1 3HG MET 1 -19.791 -1.107 1.889 7 HE1 MET 1 3HE MET 1 -21.726 1.723 1.006 8 HE2 MET 1 1HE MET 1 -22.571 0.561 -0.018 9 HE3 MET 1 2HE MET 1 -21.965 0.066 1.562 10 H GLY 2 HN GLY 2 -16.962 2.397 3.888 11 HA2 GLY 2 1HA GLY 2 -14.672 2.663 4.135 12 HA3 GLY 2 2HA GLY 2 -14.513 0.916 4.237 13 H TYR 3 HN TYR 3 -12.586 2.045 2.879 14 HA TYR 3 HA TYR 3 -13.263 2.254 0.065 15 HB2 TYR 3 2HB TYR 3 -10.725 2.619 1.640 16 HB3 TYR 3 3HB TYR 3 -10.708 2.554 -0.119 17 HD1 TYR 3 2HD TYR 3 -12.814 4.241 2.478 18 HD2 TYR 3 1HD TYR 3 -10.558 4.623 -1.109 19 HE1 TYR 3 2HE TYR 3 -13.371 6.635 2.390 20 HE2 TYR 3 1HE TYR 3 -11.107 7.018 -1.206 21 HH TYR 3 HH TYR 3 -11.892 8.815 0.975 22 H ARG 4 HN ARG 4 -12.163 0.983 -1.569 23 HA ARG 4 HA ARG 4 -12.104 -1.814 -0.849 24 HB2 ARG 4 2HB ARG 4 -13.198 -1.136 -2.918 25 HB3 ARG 4 3HB ARG 4 -11.699 -0.428 -3.505 26 HG2 ARG 4 2HG ARG 4 -10.690 -2.532 -3.787 27 HG3 ARG 4 3HG ARG 4 -11.930 -3.341 -2.827 28 HD2 ARG 4 2HD ARG 4 -13.512 -3.200 -4.522 29 HD3 ARG 4 3HD ARG 4 -12.664 -1.886 -5.336 30 HE ARG 4 HE ARG 4 -11.418 -3.439 -6.463 31 HH11 ARG 4 2HH1 ARG 4 -12.975 -4.976 -3.756 32 HH12 ARG 4 1HH1 ARG 4 -12.503 -6.576 -4.226 33 HH21 ARG 4 2HH2 ARG 4 -10.790 -5.539 -7.093 34 HH22 ARG 4 1HH2 ARG 4 -11.260 -6.895 -6.124 35 H ILE 5 HN ILE 5 -10.355 -3.229 -1.152 36 HA ILE 5 HA ILE 5 -7.729 -1.901 -1.079 37 HB ILE 5 HB ILE 5 -8.446 -4.645 -0.040 38 HG12 ILE 5 2HG1 ILE 5 -9.553 -2.925 1.284 39 HG13 ILE 5 3HG1 ILE 5 -8.221 -3.620 2.201 40 HG21 ILE 5 1HG2 ILE 5 -6.274 -4.992 0.297 41 HG22 ILE 5 2HG2 ILE 5 -5.975 -3.583 -0.720 42 HG23 ILE 5 3HG2 ILE 5 -6.065 -3.403 1.032 43 HD11 ILE 5 3HD1 ILE 5 -8.374 -1.187 2.442 44 HD12 ILE 5 1HD1 ILE 5 -6.847 -1.695 1.722 45 HD13 ILE 5 2HD1 ILE 5 -8.116 -1.012 0.706 46 H GLU 6 HN GLU 6 -7.022 -1.885 -3.147 47 HA GLU 6 HA GLU 6 -7.023 -4.447 -4.602 48 HB2 GLU 6 2HB GLU 6 -7.369 -1.628 -5.484 49 HB3 GLU 6 3HB GLU 6 -6.501 -2.710 -6.564 50 HG2 GLU 6 2HG GLU 6 -9.108 -3.599 -5.447 51 HG3 GLU 6 3HG GLU 6 -9.098 -2.399 -6.738 52 H PHE 7 HN PHE 7 -5.150 -4.860 -5.981 53 HA PHE 7 HA PHE 7 -2.701 -3.482 -5.141 54 HB2 PHE 7 2HB PHE 7 -3.293 -6.417 -4.924 55 HB3 PHE 7 3HB PHE 7 -1.639 -5.863 -5.167 56 HD1 PHE 7 1HD PHE 7 -4.580 -5.402 -2.941 57 HD2 PHE 7 2HD PHE 7 -0.347 -5.237 -3.351 58 HE1 PHE 7 1HE PHE 7 -4.366 -5.001 -0.523 59 HE2 PHE 7 2HE PHE 7 -0.125 -4.837 -0.933 60 HZ PHE 7 HZ PHE 7 -2.136 -4.719 0.484 61 H ASP 8 HN ASP 8 -1.309 -3.092 -6.757 62 HA ASP 8 HA ASP 8 -2.077 -3.514 -9.438 63 HB2 ASP 8 2HB ASP 8 0.294 -2.391 -8.046 64 HB3 ASP 8 3HB ASP 8 0.523 -2.902 -9.716 65 HA PRO 9 HA PRO 9 -0.406 -7.414 -10.544 66 HB2 PRO 9 2HB PRO 9 0.689 -6.938 -12.982 67 HB3 PRO 9 3HB PRO 9 -1.056 -6.986 -12.705 68 HG2 PRO 9 2HG PRO 9 0.763 -4.618 -12.922 69 HG3 PRO 9 3HG PRO 9 -0.848 -4.858 -13.621 70 HD2 PRO 9 2HD PRO 9 -0.436 -3.401 -11.376 71 HD3 PRO 9 3HD PRO 9 -1.920 -4.338 -11.648 72 H ARG 10 HN ARG 10 1.680 -4.726 -10.175 73 HA ARG 10 HA ARG 10 4.095 -6.350 -10.460 74 HB2 ARG 10 2HB ARG 10 3.596 -3.398 -10.174 75 HB3 ARG 10 3HB ARG 10 5.200 -4.077 -9.932 76 HG2 ARG 10 2HG ARG 10 5.449 -4.638 -12.145 77 HG3 ARG 10 3HG ARG 10 3.709 -4.726 -12.428 78 HD2 ARG 10 2HD ARG 10 4.468 -2.777 -13.535 79 HD3 ARG 10 3HD ARG 10 3.644 -2.231 -12.076 80 HE ARG 10 HE ARG 10 5.627 -1.377 -11.322 81 HH11 ARG 10 2HH1 ARG 10 6.265 -3.613 -13.913 82 HH12 ARG 10 1HH1 ARG 10 7.952 -3.226 -14.007 83 HH21 ARG 10 2HH2 ARG 10 7.845 -0.858 -11.436 84 HH22 ARG 10 1HH2 ARG 10 8.849 -1.659 -12.597 85 H ALA 11 HN ALA 11 2.479 -4.289 -8.055 86 HA ALA 11 HA ALA 11 4.259 -4.704 -5.942 87 HB1 ALA 11 1HB ALA 11 1.309 -4.098 -5.930 88 HB2 ALA 11 2HB ALA 11 2.317 -4.096 -4.483 89 HB3 ALA 11 3HB ALA 11 2.646 -2.957 -5.788 90 H GLU 12 HN GLU 12 1.277 -6.460 -6.772 91 HA GLU 12 HA GLU 12 0.969 -8.202 -4.751 92 HB2 GLU 12 2HB GLU 12 0.668 -8.493 -7.695 93 HB3 GLU 12 3HB GLU 12 0.590 -9.960 -6.730 94 HG2 GLU 12 2HG GLU 12 -1.062 -7.602 -5.961 95 HG3 GLU 12 3HG GLU 12 -1.576 -8.640 -7.290 96 H LYS 13 HN LYS 13 3.343 -8.598 -7.364 97 HA LYS 13 HA LYS 13 4.454 -10.992 -6.273 98 HB2 LYS 13 2HB LYS 13 5.561 -9.073 -8.331 99 HB3 LYS 13 3HB LYS 13 6.235 -10.655 -7.962 100 HG2 LYS 13 2HG LYS 13 3.378 -10.424 -8.791 101 HG3 LYS 13 3HG LYS 13 4.658 -10.349 -10.004 102 HD2 LYS 13 2HD LYS 13 4.691 -12.551 -7.990 103 HD3 LYS 13 3HD LYS 13 3.563 -12.643 -9.345 104 HE2 LYS 13 2HE LYS 13 5.233 -12.857 -10.896 105 HE3 LYS 13 3HE LYS 13 6.402 -11.969 -9.920 106 HZ1 LYS 13 3HZ LYS 13 5.522 -14.778 -9.579 107 HZ2 LYS 13 1HZ LYS 13 6.399 -13.942 -8.398 108 HZ3 LYS 13 2HZ LYS 13 7.079 -14.213 -9.923 109 H GLU 14 HN GLU 14 5.356 -7.573 -6.206 110 HA GLU 14 HA GLU 14 7.853 -7.783 -5.008 111 HB2 GLU 14 2HB GLU 14 5.751 -5.635 -4.688 112 HB3 GLU 14 3HB GLU 14 7.415 -5.480 -4.142 113 HG2 GLU 14 2HG GLU 14 8.197 -5.738 -6.440 114 HG3 GLU 14 3HG GLU 14 6.529 -5.892 -6.989 115 H LEU 15 HN LEU 15 4.640 -7.796 -3.555 116 HA LEU 15 HA LEU 15 5.695 -7.887 -0.865 117 HB2 LEU 15 2HB LEU 15 3.646 -6.723 -1.150 118 HB3 LEU 15 3HB LEU 15 2.920 -8.080 -2.009 119 HG LEU 15 HG LEU 15 3.760 -8.503 0.813 120 HD11 LEU 15 1HD1 LEU 15 1.726 -7.557 1.682 121 HD12 LEU 15 2HD1 LEU 15 1.214 -7.073 0.066 122 HD13 LEU 15 3HD1 LEU 15 2.617 -6.308 0.811 123 HD21 LEU 15 3HD2 LEU 15 1.306 -9.374 -0.702 124 HD22 LEU 15 1HD2 LEU 15 1.912 -10.011 0.827 125 HD23 LEU 15 2HD2 LEU 15 2.815 -10.287 -0.663 126 H GLU 16 HN GLU 16 4.121 -10.112 -3.126 127 HA GLU 16 HA GLU 16 3.784 -12.318 -1.506 128 HB2 GLU 16 2HB GLU 16 4.258 -11.932 -4.419 129 HB3 GLU 16 3HB GLU 16 4.418 -13.562 -3.779 130 HG2 GLU 16 2HG GLU 16 2.114 -13.176 -2.736 131 HG3 GLU 16 3HG GLU 16 1.999 -11.800 -3.832 132 H LYS 17 HN LYS 17 6.715 -11.049 -2.916 133 HA LYS 17 HA LYS 17 8.349 -13.327 -2.515 134 HB2 LYS 17 2HB LYS 17 8.802 -10.443 -3.091 135 HB3 LYS 17 3HB LYS 17 10.159 -11.362 -2.454 136 HG2 LYS 17 2HG LYS 17 9.430 -13.047 -4.367 137 HG3 LYS 17 3HG LYS 17 8.790 -11.561 -5.074 138 HD2 LYS 17 2HD LYS 17 10.907 -11.494 -5.923 139 HD3 LYS 17 3HD LYS 17 11.186 -10.649 -4.399 140 HE2 LYS 17 2HE LYS 17 11.519 -13.623 -4.650 141 HE3 LYS 17 3HE LYS 17 12.823 -12.506 -5.048 142 HZ1 LYS 17 3HZ LYS 17 13.297 -12.800 -2.878 143 HZ2 LYS 17 1HZ LYS 17 11.711 -13.212 -2.455 144 HZ3 LYS 17 2HZ LYS 17 12.135 -11.588 -2.663 145 H LEU 18 HN LEU 18 7.606 -10.506 -0.522 146 HA LEU 18 HA LEU 18 9.441 -10.732 1.496 147 HB2 LEU 18 2HB LEU 18 6.519 -10.027 1.637 148 HB3 LEU 18 3HB LEU 18 7.616 -9.864 3.007 149 HG LEU 18 HG LEU 18 7.943 -8.422 0.378 150 HD11 LEU 18 1HD1 LEU 18 6.796 -7.459 2.993 151 HD12 LEU 18 2HD1 LEU 18 5.923 -7.665 1.475 152 HD13 LEU 18 3HD1 LEU 18 7.181 -6.436 1.609 153 HD21 LEU 18 3HD2 LEU 18 9.575 -7.090 1.574 154 HD22 LEU 18 1HD2 LEU 18 10.018 -8.796 1.648 155 HD23 LEU 18 2HD2 LEU 18 9.285 -8.014 3.049 156 H ASP 19 HN ASP 19 8.821 -11.438 3.836 157 HA ASP 19 HA ASP 19 8.773 -14.235 3.900 158 HB2 ASP 19 2HB ASP 19 9.594 -12.519 5.676 159 HB3 ASP 19 3HB ASP 19 7.934 -12.581 6.262 160 H ARG 20 HN ARG 20 7.190 -15.653 4.895 161 HA ARG 20 HA ARG 20 4.603 -15.294 3.802 162 HB2 ARG 20 2HB ARG 20 5.927 -17.335 5.524 163 HB3 ARG 20 3HB ARG 20 4.169 -17.327 5.460 164 HG2 ARG 20 2HG ARG 20 4.609 -17.261 2.861 165 HG3 ARG 20 3HG ARG 20 6.145 -17.983 3.345 166 HD2 ARG 20 2HD ARG 20 4.641 -19.767 2.878 167 HD3 ARG 20 3HD ARG 20 4.834 -19.688 4.629 168 HE ARG 20 HE ARG 20 2.567 -18.231 3.592 169 HH11 ARG 20 2HH1 ARG 20 3.745 -21.260 4.839 170 HH12 ARG 20 1HH1 ARG 20 2.180 -21.816 5.331 171 HH21 ARG 20 2HH2 ARG 20 0.500 -18.952 4.236 172 HH22 ARG 20 1HH2 ARG 20 0.335 -20.503 4.987 173 H GLU 21 HN GLU 21 5.895 -15.031 7.086 174 HA GLU 21 HA GLU 21 3.358 -14.498 8.288 175 HB2 GLU 21 2HB GLU 21 5.057 -15.437 9.676 176 HB3 GLU 21 3HB GLU 21 6.195 -14.165 9.254 177 HG2 GLU 21 2HG GLU 21 5.558 -13.444 11.309 178 HG3 GLU 21 3HG GLU 21 4.350 -12.623 10.322 179 H VAL 22 HN VAL 22 6.099 -12.496 7.267 180 HA VAL 22 HA VAL 22 5.143 -10.031 8.194 181 HB VAL 22 HB VAL 22 6.887 -10.579 5.788 182 HG11 VAL 22 1HG1 VAL 22 6.971 -8.033 7.330 183 HG12 VAL 22 2HG1 VAL 22 7.372 -8.344 5.640 184 HG13 VAL 22 3HG1 VAL 22 5.684 -8.265 6.147 185 HG21 VAL 22 3HG2 VAL 22 8.059 -9.548 8.281 186 HG22 VAL 22 1HG2 VAL 22 7.450 -11.201 8.361 187 HG23 VAL 22 2HG2 VAL 22 8.665 -10.767 7.159 188 H ALA 23 HN ALA 23 4.725 -11.633 5.054 189 HA ALA 23 HA ALA 23 3.354 -9.619 3.718 190 HB1 ALA 23 1HB ALA 23 2.601 -11.294 2.201 191 HB2 ALA 23 2HB ALA 23 4.221 -11.750 2.728 192 HB3 ALA 23 3HB ALA 23 2.811 -12.565 3.405 193 H ARG 24 HN ARG 24 2.030 -12.284 5.675 194 HA ARG 24 HA ARG 24 -0.670 -11.686 5.372 195 HB2 ARG 24 2HB ARG 24 0.889 -13.023 7.567 196 HB3 ARG 24 3HB ARG 24 -0.848 -12.784 7.708 197 HG2 ARG 24 2HG ARG 24 -1.334 -14.321 6.101 198 HG3 ARG 24 3HG ARG 24 0.178 -14.053 5.231 199 HD2 ARG 24 2HD ARG 24 0.620 -16.101 6.132 200 HD3 ARG 24 3HD ARG 24 1.210 -15.075 7.439 201 HE ARG 24 HE ARG 24 -1.555 -15.809 7.706 202 HH11 ARG 24 2HH1 ARG 24 1.733 -16.761 8.337 203 HH12 ARG 24 1HH1 ARG 24 1.317 -17.797 9.662 204 HH21 ARG 24 2HH2 ARG 24 -2.116 -17.169 9.449 205 HH22 ARG 24 1HH2 ARG 24 -0.873 -18.029 10.293 206 H ARG 25 HN ARG 25 1.636 -10.534 7.813 207 HA ARG 25 HA ARG 25 -0.113 -9.063 9.393 208 HB2 ARG 25 2HB ARG 25 2.084 -9.375 10.204 209 HB3 ARG 25 3HB ARG 25 2.805 -8.706 8.746 210 HG2 ARG 25 2HG ARG 25 2.351 -6.522 9.366 211 HG3 ARG 25 3HG ARG 25 1.085 -7.003 10.498 212 HD2 ARG 25 2HD ARG 25 4.038 -7.514 10.841 213 HD3 ARG 25 3HD ARG 25 3.116 -6.248 11.651 214 HE ARG 25 HE ARG 25 2.111 -8.919 12.069 215 HH11 ARG 25 2HH1 ARG 25 4.262 -6.427 13.201 216 HH12 ARG 25 1HH1 ARG 25 4.320 -7.033 14.823 217 HH21 ARG 25 2HH2 ARG 25 2.179 -9.726 14.201 218 HH22 ARG 25 1HH2 ARG 25 3.135 -8.910 15.391 219 H ILE 26 HN ILE 26 1.581 -8.132 6.431 220 HA ILE 26 HA ILE 26 0.877 -5.419 6.417 221 HB ILE 26 HB ILE 26 1.374 -7.246 4.064 222 HG12 ILE 26 2HG1 ILE 26 3.231 -5.358 5.527 223 HG13 ILE 26 3HG1 ILE 26 3.246 -7.112 5.672 224 HG21 ILE 26 1HG2 ILE 26 0.264 -4.751 3.977 225 HG22 ILE 26 2HG2 ILE 26 1.981 -4.403 3.781 226 HG23 ILE 26 3HG2 ILE 26 1.173 -5.507 2.669 227 HD11 ILE 26 3HD1 ILE 26 4.923 -5.894 4.098 228 HD12 ILE 26 1HD1 ILE 26 4.170 -7.408 3.597 229 HD13 ILE 26 2HD1 ILE 26 3.556 -5.872 2.984 230 H LEU 27 HN LEU 27 -0.588 -8.041 4.485 231 HA LEU 27 HA LEU 27 -2.711 -6.700 3.416 232 HB2 LEU 27 2HB LEU 27 -2.659 -9.523 4.470 233 HB3 LEU 27 3HB LEU 27 -3.919 -8.871 3.423 234 HG LEU 27 HG LEU 27 -1.026 -8.976 2.601 235 HD11 LEU 27 1HD1 LEU 27 -3.127 -11.013 1.904 236 HD12 LEU 27 2HD1 LEU 27 -1.942 -11.243 3.190 237 HD13 LEU 27 3HD1 LEU 27 -1.406 -11.050 1.521 238 HD21 LEU 27 3HD2 LEU 27 -3.632 -8.628 1.130 239 HD22 LEU 27 1HD2 LEU 27 -2.086 -8.925 0.335 240 HD23 LEU 27 2HD2 LEU 27 -2.319 -7.460 1.290 241 H ARG 28 HN ARG 28 -2.676 -8.362 6.565 242 HA ARG 28 HA ARG 28 -5.283 -7.790 7.342 243 HB2 ARG 28 2HB ARG 28 -3.348 -9.212 8.461 244 HB3 ARG 28 3HB ARG 28 -3.115 -7.739 9.392 245 HG2 ARG 28 2HG ARG 28 -5.276 -7.859 10.318 246 HG3 ARG 28 3HG ARG 28 -5.788 -9.083 9.155 247 HD2 ARG 28 2HD ARG 28 -4.241 -10.685 10.143 248 HD3 ARG 28 3HD ARG 28 -3.681 -9.460 11.281 249 HE ARG 28 HE ARG 28 -6.322 -9.541 11.775 250 HH11 ARG 28 2HH1 ARG 28 -3.908 -12.035 11.506 251 HH12 ARG 28 1HH1 ARG 28 -4.698 -13.101 12.620 252 HH21 ARG 28 2HH2 ARG 28 -7.371 -10.935 13.244 253 HH22 ARG 28 1HH2 ARG 28 -6.668 -12.474 13.607 254 H PHE 29 HN PHE 29 -2.314 -5.937 7.989 255 HA PHE 29 HA PHE 29 -3.379 -3.886 9.495 256 HB2 PHE 29 2HB PHE 29 -1.051 -3.876 9.324 257 HB3 PHE 29 3HB PHE 29 -1.081 -4.013 7.569 258 HD1 PHE 29 1HD PHE 29 -1.719 -1.700 10.384 259 HD2 PHE 29 2HD PHE 29 -1.020 -2.106 6.205 260 HE1 PHE 29 1HE PHE 29 -1.446 0.738 10.196 261 HE2 PHE 29 2HE PHE 29 -0.745 0.331 6.011 262 HZ PHE 29 HZ PHE 29 -0.957 1.756 8.008 263 H LEU 30 HN LEU 30 -3.481 -4.362 6.021 264 HA LEU 30 HA LEU 30 -4.694 -1.763 5.567 265 HB2 LEU 30 2HB LEU 30 -4.145 -4.046 3.676 266 HB3 LEU 30 3HB LEU 30 -4.741 -2.454 3.208 267 HG LEU 30 HG LEU 30 -2.133 -2.691 4.651 268 HD11 LEU 30 1HD1 LEU 30 -1.870 -2.617 1.762 269 HD12 LEU 30 2HD1 LEU 30 -2.596 -4.118 2.335 270 HD13 LEU 30 3HD1 LEU 30 -1.026 -3.608 2.953 271 HD21 LEU 30 3HD2 LEU 30 -3.593 -0.571 3.768 272 HD22 LEU 30 1HD2 LEU 30 -2.502 -0.839 2.409 273 HD23 LEU 30 2HD2 LEU 30 -1.847 -0.557 4.022 274 H ARG 31 HN ARG 31 -5.638 -5.095 5.910 275 HA ARG 31 HA ARG 31 -8.332 -4.603 4.942 276 HB2 ARG 31 2HB ARG 31 -6.927 -7.043 6.019 277 HB3 ARG 31 3HB ARG 31 -8.653 -7.027 5.683 278 HG2 ARG 31 2HG ARG 31 -8.194 -6.487 3.344 279 HG3 ARG 31 3HG ARG 31 -6.462 -6.510 3.683 280 HD2 ARG 31 2HD ARG 31 -7.065 -8.614 2.712 281 HD3 ARG 31 3HD ARG 31 -6.702 -8.875 4.418 282 HE ARG 31 HE ARG 31 -9.272 -9.155 3.115 283 HH11 ARG 31 2HH1 ARG 31 -7.538 -8.853 6.119 284 HH12 ARG 31 1HH1 ARG 31 -8.805 -9.553 7.071 285 HH21 ARG 31 2HH2 ARG 31 -10.948 -10.077 4.358 286 HH22 ARG 31 1HH2 ARG 31 -10.744 -10.250 6.069 287 H GLU 32 HN GLU 32 -6.675 -4.137 7.795 288 HA GLU 32 HA GLU 32 -9.124 -4.422 9.406 289 HB2 GLU 32 2HB GLU 32 -6.214 -4.585 10.167 290 HB3 GLU 32 3HB GLU 32 -7.477 -4.338 11.365 291 HG2 GLU 32 2HG GLU 32 -8.543 -6.451 10.321 292 HG3 GLU 32 3HG GLU 32 -6.931 -6.730 9.665 293 H ARG 33 HN ARG 33 -6.135 -2.471 9.467 294 HA ARG 33 HA ARG 33 -7.321 -0.290 10.807 295 HB2 ARG 33 2HB ARG 33 -4.881 -0.206 9.027 296 HB3 ARG 33 3HB ARG 33 -5.286 0.909 10.326 297 HG2 ARG 33 2HG ARG 33 -4.886 -2.005 10.875 298 HG3 ARG 33 3HG ARG 33 -3.514 -0.902 10.752 299 HD2 ARG 33 2HD ARG 33 -4.114 0.269 12.644 300 HD3 ARG 33 3HD ARG 33 -5.814 -0.181 12.509 301 HE ARG 33 HE ARG 33 -5.378 -2.055 13.746 302 HH11 ARG 33 2HH1 ARG 33 -2.374 -0.737 12.580 303 HH12 ARG 33 1HH1 ARG 33 -1.389 -1.812 13.515 304 HH21 ARG 33 2HH2 ARG 33 -4.092 -3.477 14.981 305 HH22 ARG 33 1HH2 ARG 33 -2.367 -3.371 14.880 306 H VAL 34 HN VAL 34 -6.007 -0.188 7.498 307 HA VAL 34 HA VAL 34 -7.343 2.092 6.677 308 HB VAL 34 HB VAL 34 -6.508 -0.265 4.980 309 HG11 VAL 34 1HG1 VAL 34 -8.201 1.428 4.026 310 HG12 VAL 34 2HG1 VAL 34 -6.838 2.547 4.000 311 HG13 VAL 34 3HG1 VAL 34 -6.765 1.046 3.076 312 HG21 VAL 34 3HG2 VAL 34 -4.670 0.716 6.259 313 HG22 VAL 34 1HG2 VAL 34 -4.498 1.052 4.536 314 HG23 VAL 34 2HG2 VAL 34 -5.075 2.312 5.627 315 H ALA 35 HN ALA 35 -8.392 -1.279 6.537 316 HA ALA 35 HA ALA 35 -10.681 -0.987 4.985 317 HB1 ALA 35 1HB ALA 35 -11.411 -3.069 5.872 318 HB2 ALA 35 2HB ALA 35 -9.652 -3.139 5.761 319 HB3 ALA 35 3HB ALA 35 -10.426 -2.868 7.322 320 H THR 36 HN THR 36 -10.384 -0.839 8.533 321 HA THR 36 HA THR 36 -13.117 -0.093 8.911 322 HB THR 36 HB THR 36 -12.551 0.228 11.245 323 HG1 THR 36 1HG THR 36 -10.347 1.137 10.541 324 HG21 THR 36 3HG2 THR 36 -11.041 -2.023 11.410 325 HG22 THR 36 1HG2 THR 36 -11.681 -2.168 9.774 326 HG23 THR 36 2HG2 THR 36 -12.784 -2.015 11.141 327 H LEU 37 HN LEU 37 -10.115 1.627 8.472 328 HA LEU 37 HA LEU 37 -10.885 4.140 9.462 329 HB2 LEU 37 2HB LEU 37 -8.875 3.254 7.423 330 HB3 LEU 37 3HB LEU 37 -9.136 4.963 7.760 331 HG LEU 37 HG LEU 37 -8.321 2.941 9.843 332 HD11 LEU 37 1HD1 LEU 37 -6.256 3.028 9.050 333 HD12 LEU 37 2HD1 LEU 37 -6.249 4.775 9.291 334 HD13 LEU 37 3HD1 LEU 37 -6.773 4.100 7.749 335 HD21 LEU 37 3HD2 LEU 37 -8.954 5.821 9.839 336 HD22 LEU 37 1HD2 LEU 37 -7.515 5.346 10.741 337 HD23 LEU 37 2HD2 LEU 37 -9.078 4.629 11.134 338 H GLU 38 HN GLU 38 -12.697 5.131 8.833 339 HA GLU 38 HA GLU 38 -14.238 4.851 6.652 340 HB2 GLU 38 2HB GLU 38 -13.540 7.425 8.064 341 HB3 GLU 38 3HB GLU 38 -14.826 7.298 6.873 342 HG2 GLU 38 2HG GLU 38 -16.080 5.837 8.242 343 HG3 GLU 38 3HG GLU 38 -14.724 5.593 9.341 344 H ASP 39 HN ASP 39 -11.271 6.755 6.798 345 HA ASP 39 HA ASP 39 -11.305 6.887 3.858 346 HB2 ASP 39 2HB ASP 39 -10.478 9.063 5.787 347 HB3 ASP 39 3HB ASP 39 -10.140 9.102 4.059 348 HA PRO 40 HA PRO 40 -7.355 4.958 4.134 349 HB2 PRO 40 2HB PRO 40 -6.414 5.597 1.669 350 HB3 PRO 40 3HB PRO 40 -7.661 4.372 1.933 351 HG2 PRO 40 2HG PRO 40 -7.959 7.226 1.079 352 HG3 PRO 40 3HG PRO 40 -8.782 5.782 0.462 353 HD2 PRO 40 2HD PRO 40 -9.948 7.485 2.214 354 HD3 PRO 40 3HD PRO 40 -10.292 5.744 2.202 355 H ARG 41 HN ARG 41 -7.833 8.302 3.930 356 HA ARG 41 HA ARG 41 -5.063 9.065 3.749 357 HB2 ARG 41 2HB ARG 41 -7.643 10.520 4.199 358 HB3 ARG 41 3HB ARG 41 -6.119 11.327 4.542 359 HG2 ARG 41 2HG ARG 41 -5.506 10.516 2.124 360 HG3 ARG 41 3HG ARG 41 -7.260 10.453 1.939 361 HD2 ARG 41 2HD ARG 41 -5.961 12.886 3.091 362 HD3 ARG 41 3HD ARG 41 -5.968 12.634 1.346 363 HE ARG 41 HE ARG 41 -8.561 12.348 2.531 364 HH11 ARG 41 2HH1 ARG 41 -6.240 14.629 1.293 365 HH12 ARG 41 1HH1 ARG 41 -7.429 15.830 0.912 366 HH21 ARG 41 2HH2 ARG 41 -10.135 13.922 2.034 367 HH22 ARG 41 1HH2 ARG 41 -9.644 15.428 1.335 368 H SER 42 HN SER 42 -7.419 8.527 6.289 369 HA SER 42 HA SER 42 -6.478 9.735 8.484 370 HB2 SER 42 2HB SER 42 -8.262 7.828 8.213 371 HB3 SER 42 3HB SER 42 -6.933 6.779 8.708 372 HG SER 42 HG SER 42 -7.530 7.347 10.644 373 H LEU 43 HN LEU 43 -5.178 6.589 7.410 374 HA LEU 43 HA LEU 43 -2.776 7.091 9.009 375 HB2 LEU 43 2HB LEU 43 -4.006 4.642 7.806 376 HB3 LEU 43 3HB LEU 43 -2.306 4.650 8.273 377 HG LEU 43 HG LEU 43 -4.537 5.292 10.191 378 HD11 LEU 43 1HD1 LEU 43 -3.210 2.687 10.409 379 HD12 LEU 43 2HD1 LEU 43 -4.265 2.864 9.007 380 HD13 LEU 43 3HD1 LEU 43 -4.904 3.125 10.630 381 HD21 LEU 43 3HD2 LEU 43 -2.407 6.114 10.913 382 HD22 LEU 43 1HD2 LEU 43 -1.627 4.581 10.522 383 HD23 LEU 43 2HD2 LEU 43 -2.784 4.667 11.850 384 H GLY 44 HN GLY 44 -0.716 7.095 8.135 385 HA2 GLY 44 1HA GLY 44 0.870 6.862 6.391 386 HA3 GLY 44 2HA GLY 44 -0.450 6.816 5.231 387 H GLU 45 HN GLU 45 1.530 8.358 4.486 388 HA GLU 45 HA GLU 45 0.533 11.080 4.971 389 HB2 GLU 45 2HB GLU 45 2.796 11.956 4.964 390 HB3 GLU 45 3HB GLU 45 2.629 10.748 6.229 391 HG2 GLU 45 2HG GLU 45 3.987 9.242 5.169 392 HG3 GLU 45 3HG GLU 45 3.652 9.901 3.569 393 HA PRO 46 HA PRO 46 0.330 11.374 0.588 394 HB2 PRO 46 2HB PRO 46 0.485 14.070 0.307 395 HB3 PRO 46 3HB PRO 46 -0.956 13.249 0.919 396 HG2 PRO 46 2HG PRO 46 1.221 14.635 2.435 397 HG3 PRO 46 3HG PRO 46 -0.533 14.697 2.689 398 HD2 PRO 46 2HD PRO 46 1.104 13.155 4.197 399 HD3 PRO 46 3HD PRO 46 -0.567 12.689 3.819 400 H LEU 47 HN LEU 47 1.508 12.287 -1.297 401 HA LEU 47 HA LEU 47 4.379 12.610 -0.711 402 HB2 LEU 47 2HB LEU 47 3.612 10.431 -1.794 403 HB3 LEU 47 3HB LEU 47 3.273 11.398 -3.228 404 HG LEU 47 HG LEU 47 5.724 12.102 -3.127 405 HD11 LEU 47 1HD1 LEU 47 5.909 11.157 -0.739 406 HD12 LEU 47 2HD1 LEU 47 7.243 10.887 -1.859 407 HD13 LEU 47 3HD1 LEU 47 6.090 9.593 -1.534 408 HD21 LEU 47 3HD2 LEU 47 6.119 10.558 -4.705 409 HD22 LEU 47 1HD2 LEU 47 4.444 10.080 -4.426 410 HD23 LEU 47 2HD2 LEU 47 5.754 9.213 -3.623 411 H ARG 48 HN ARG 48 5.522 14.136 -1.854 412 HA ARG 48 HA ARG 48 3.947 15.869 -3.643 413 HB2 ARG 48 2HB ARG 48 5.095 17.801 -2.768 414 HB3 ARG 48 3HB ARG 48 4.382 16.911 -1.429 415 HG2 ARG 48 2HG ARG 48 7.199 16.318 -2.153 416 HG3 ARG 48 3HG ARG 48 6.847 17.840 -1.332 417 HD2 ARG 48 2HD ARG 48 5.774 15.242 -0.295 418 HD3 ARG 48 3HD ARG 48 7.416 15.758 0.086 419 HE ARG 48 HE ARG 48 5.786 17.897 0.692 420 HH11 ARG 48 2HH1 ARG 48 6.112 14.583 1.706 421 HH12 ARG 48 1HH1 ARG 48 5.532 14.880 3.311 422 HH21 ARG 48 2HH2 ARG 48 5.020 18.301 2.803 423 HH22 ARG 48 1HH2 ARG 48 4.911 16.995 3.934 424 H GLY 49 HN GLY 49 5.026 16.798 -5.407 425 HA2 GLY 49 1HA GLY 49 7.750 16.680 -5.955 426 HA3 GLY 49 2HA GLY 49 7.050 15.188 -6.567 427 HA PRO 50 HA PRO 50 6.324 19.039 -9.377 428 HB2 PRO 50 2HB PRO 50 8.588 19.050 -10.876 429 HB3 PRO 50 3HB PRO 50 8.411 20.000 -9.396 430 HG2 PRO 50 2HG PRO 50 9.766 17.362 -9.803 431 HG3 PRO 50 3HG PRO 50 10.306 18.763 -8.860 432 HD2 PRO 50 2HD PRO 50 9.162 16.592 -7.717 433 HD3 PRO 50 3HD PRO 50 8.963 18.230 -7.064 434 H GLU 51 HN GLU 51 7.122 15.767 -9.559 435 HA GLU 51 HA GLU 51 5.939 15.595 -12.243 436 HB2 GLU 51 2HB GLU 51 7.492 13.865 -12.897 437 HB3 GLU 51 3HB GLU 51 8.395 15.290 -12.402 438 HG2 GLU 51 2HG GLU 51 9.234 14.287 -10.533 439 HG3 GLU 51 3HG GLU 51 7.865 13.188 -10.373 440 H LEU 52 HN LEU 52 4.623 15.309 -9.759 441 HA LEU 52 HA LEU 52 3.591 12.619 -10.088 442 HB2 LEU 52 2HB LEU 52 4.603 13.579 -7.415 443 HB3 LEU 52 3HB LEU 52 3.763 12.060 -7.723 444 HG LEU 52 HG LEU 52 6.376 12.674 -9.060 445 HD11 LEU 52 1HD1 LEU 52 5.885 11.884 -6.234 446 HD12 LEU 52 2HD1 LEU 52 7.149 12.904 -6.921 447 HD13 LEU 52 3HD1 LEU 52 7.237 11.151 -7.097 448 HD21 LEU 52 3HD2 LEU 52 5.557 10.781 -10.034 449 HD22 LEU 52 1HD2 LEU 52 4.646 10.303 -8.602 450 HD23 LEU 52 2HD2 LEU 52 6.392 10.061 -8.657 451 H GLY 53 HN GLY 53 1.498 12.331 -9.210 452 HA2 GLY 53 1HA GLY 53 0.071 14.859 -8.856 453 HA3 GLY 53 2HA GLY 53 -0.655 13.298 -9.206 454 H ARG 54 HN ARG 54 -1.404 12.064 -7.563 455 HA ARG 54 HA ARG 54 -0.815 12.955 -4.821 456 HB2 ARG 54 2HB ARG 54 -3.205 12.364 -4.269 457 HB3 ARG 54 3HB ARG 54 -2.994 13.796 -5.267 458 HG2 ARG 54 2HG ARG 54 -3.464 12.363 -7.266 459 HG3 ARG 54 3HG ARG 54 -3.888 11.065 -6.148 460 HD2 ARG 54 2HD ARG 54 -5.414 12.974 -5.114 461 HD3 ARG 54 3HD ARG 54 -5.315 13.596 -6.761 462 HE ARG 54 HE ARG 54 -6.743 11.263 -5.869 463 HH11 ARG 54 2HH1 ARG 54 -5.248 12.854 -8.581 464 HH12 ARG 54 1HH1 ARG 54 -6.200 12.018 -9.763 465 HH21 ARG 54 2HH2 ARG 54 -8.002 10.156 -7.416 466 HH22 ARG 54 1HH2 ARG 54 -7.766 10.484 -9.099 467 H PHE 55 HN PHE 55 0.470 11.332 -4.141 468 HA PHE 55 HA PHE 55 -0.614 8.599 -4.324 469 HB2 PHE 55 2HB PHE 55 2.252 9.518 -4.571 470 HB3 PHE 55 3HB PHE 55 1.804 7.839 -4.285 471 HD1 PHE 55 1HD PHE 55 -0.127 7.012 -5.987 472 HD2 PHE 55 2HD PHE 55 2.726 10.081 -6.733 473 HE1 PHE 55 1HE PHE 55 -0.400 6.672 -8.408 474 HE2 PHE 55 2HE PHE 55 2.457 9.747 -9.156 475 HZ PHE 55 HZ PHE 55 0.892 8.041 -9.996 476 H TRP 56 HN TRP 56 -1.145 7.829 -2.401 477 HA TRP 56 HA TRP 56 0.019 9.010 0.000 478 HB2 TRP 56 2HB TRP 56 -2.525 8.509 -0.467 479 HB3 TRP 56 3HB TRP 56 -2.093 6.891 0.079 480 HD1 TRP 56 1HD TRP 56 -1.599 6.555 2.655 481 HE1 TRP 56 1HE TRP 56 -1.976 8.045 4.720 482 HE3 TRP 56 3HE TRP 56 -2.493 11.001 0.295 483 HZ2 TRP 56 2HZ TRP 56 -2.574 10.748 5.274 484 HZ3 TRP 56 3HZ TRP 56 -2.960 12.991 1.665 485 HH2 TRP 56 2HH TRP 56 -2.999 12.865 4.103 486 H LYS 57 HN LYS 57 1.100 7.844 1.573 487 HA LYS 57 HA LYS 57 1.858 5.089 0.858 488 HB2 LYS 57 2HB LYS 57 3.669 7.192 2.058 489 HB3 LYS 57 3HB LYS 57 4.117 5.530 1.695 490 HG2 LYS 57 2HG LYS 57 3.808 5.931 -0.673 491 HG3 LYS 57 3HG LYS 57 3.264 7.578 -0.343 492 HD2 LYS 57 2HD LYS 57 5.718 7.194 -1.058 493 HD3 LYS 57 3HD LYS 57 5.386 8.287 0.288 494 HE2 LYS 57 2HE LYS 57 5.940 6.567 1.881 495 HE3 LYS 57 3HE LYS 57 6.117 5.377 0.592 496 HZ1 LYS 57 3HZ LYS 57 8.224 6.405 1.514 497 HZ2 LYS 57 1HZ LYS 57 7.781 7.820 0.698 498 HZ3 LYS 57 2HZ LYS 57 8.061 6.395 -0.170 499 H TYR 58 HN TYR 58 1.951 3.618 2.501 500 HA TYR 58 HA TYR 58 1.055 4.574 5.137 501 HB2 TYR 58 2HB TYR 58 0.784 1.790 3.989 502 HB3 TYR 58 3HB TYR 58 0.076 2.387 5.486 503 HD1 TYR 58 1HD TYR 58 -1.657 4.256 5.319 504 HD2 TYR 58 2HD TYR 58 -0.379 1.971 1.964 505 HE1 TYR 58 1HE TYR 58 -3.683 4.928 4.097 506 HE2 TYR 58 2HE TYR 58 -2.401 2.638 0.733 507 HH TYR 58 HH TYR 58 -4.479 5.125 1.819 508 H ARG 59 HN ARG 59 1.782 3.196 6.995 509 HA ARG 59 HA ARG 59 4.507 2.165 6.579 510 HB2 ARG 59 2HB ARG 59 5.249 3.214 8.629 511 HB3 ARG 59 3HB ARG 59 4.575 4.439 7.561 512 HG2 ARG 59 2HG ARG 59 3.598 5.070 9.508 513 HG3 ARG 59 3HG ARG 59 2.383 3.920 8.947 514 HD2 ARG 59 2HD ARG 59 2.664 3.168 11.084 515 HD3 ARG 59 3HD ARG 59 3.901 2.211 10.268 516 HE ARG 59 HE ARG 59 5.478 3.316 11.487 517 HH11 ARG 59 2HH1 ARG 59 2.558 5.211 11.471 518 HH12 ARG 59 1HH1 ARG 59 3.165 6.395 12.580 519 HH21 ARG 59 2HH2 ARG 59 6.289 4.869 12.948 520 HH22 ARG 59 1HH2 ARG 59 5.288 6.200 13.419 521 H VAL 60 HN VAL 60 4.812 0.184 7.357 522 HA VAL 60 HA VAL 60 2.931 -0.823 9.394 523 HB VAL 60 HB VAL 60 4.217 -2.370 7.139 524 HG11 VAL 60 1HG1 VAL 60 2.097 -3.622 8.741 525 HG12 VAL 60 2HG1 VAL 60 3.591 -4.306 8.097 526 HG13 VAL 60 3HG1 VAL 60 3.621 -3.366 9.590 527 HG21 VAL 60 3HG2 VAL 60 1.851 -0.834 7.226 528 HG22 VAL 60 1HG2 VAL 60 2.407 -1.906 5.941 529 HG23 VAL 60 2HG2 VAL 60 1.366 -2.530 7.220 530 H GLY 61 HN GLY 61 4.488 -0.072 10.984 531 HA2 GLY 61 1HA GLY 61 6.156 -0.463 12.512 532 HA3 GLY 61 2HA GLY 61 6.146 -2.125 11.939 533 H ASP 62 HN ASP 62 7.376 -2.562 9.928 534 HA ASP 62 HA ASP 62 9.620 -0.704 9.548 535 HB2 ASP 62 2HB ASP 62 9.721 -3.587 10.327 536 HB3 ASP 62 3HB ASP 62 10.978 -2.955 9.267 537 H TYR 63 HN TYR 63 7.455 -0.808 7.867 538 HA TYR 63 HA TYR 63 8.717 -1.651 5.402 539 HB2 TYR 63 2HB TYR 63 6.058 -2.794 6.276 540 HB3 TYR 63 3HB TYR 63 6.701 -2.911 4.642 541 HD1 TYR 63 1HD TYR 63 7.440 -3.825 8.171 542 HD2 TYR 63 2HD TYR 63 8.136 -4.665 4.058 543 HE1 TYR 63 1HE TYR 63 8.644 -5.876 8.799 544 HE2 TYR 63 2HE TYR 63 9.340 -6.718 4.675 545 HH TYR 63 HH TYR 63 10.298 -7.846 6.392 546 H ARG 64 HN ARG 64 7.885 -0.620 3.567 547 HA ARG 64 HA ARG 64 5.975 1.550 4.143 548 HB2 ARG 64 2HB ARG 64 8.325 1.522 2.243 549 HB3 ARG 64 3HB ARG 64 7.135 2.814 2.326 550 HG2 ARG 64 2HG ARG 64 8.768 1.966 4.699 551 HG3 ARG 64 3HG ARG 64 9.309 3.194 3.553 552 HD2 ARG 64 2HD ARG 64 6.602 3.415 4.797 553 HD3 ARG 64 3HD ARG 64 8.028 3.886 5.721 554 HE ARG 64 HE ARG 64 7.858 5.057 3.089 555 HH11 ARG 64 2HH1 ARG 64 7.048 5.380 6.460 556 HH12 ARG 64 1HH1 ARG 64 6.876 7.102 6.388 557 HH21 ARG 64 2HH2 ARG 64 7.634 7.324 2.982 558 HH22 ARG 64 1HH2 ARG 64 7.209 8.207 4.408 559 H LEU 65 HN LEU 65 4.230 1.763 2.858 560 HA LEU 65 HA LEU 65 4.084 0.069 0.453 561 HB2 LEU 65 2HB LEU 65 1.726 0.706 2.198 562 HB3 LEU 65 3HB LEU 65 1.846 -0.506 0.925 563 HG LEU 65 HG LEU 65 3.412 -0.681 3.489 564 HD11 LEU 65 1HD1 LEU 65 1.219 -0.725 4.279 565 HD12 LEU 65 2HD1 LEU 65 1.623 -2.427 4.053 566 HD13 LEU 65 3HD1 LEU 65 0.625 -1.591 2.862 567 HD21 LEU 65 3HD2 LEU 65 4.365 -2.390 2.441 568 HD22 LEU 65 1HD2 LEU 65 3.299 -2.192 1.050 569 HD23 LEU 65 2HD2 LEU 65 2.794 -3.193 2.412 570 H ILE 66 HN ILE 66 4.035 1.339 -1.274 571 HA ILE 66 HA ILE 66 2.807 3.989 -1.087 572 HB ILE 66 HB ILE 66 4.447 2.820 -3.338 573 HG12 ILE 66 2HG1 ILE 66 6.162 4.507 -2.412 574 HG13 ILE 66 3HG1 ILE 66 5.187 4.496 -0.946 575 HG21 ILE 66 1HG2 ILE 66 4.689 5.315 -3.869 576 HG22 ILE 66 2HG2 ILE 66 3.158 4.534 -4.261 577 HG23 ILE 66 3HG2 ILE 66 3.291 5.538 -2.818 578 HD11 ILE 66 3HD1 ILE 66 6.244 1.965 -2.148 579 HD12 ILE 66 1HD1 ILE 66 7.206 2.951 -1.047 580 HD13 ILE 66 2HD1 ILE 66 5.677 2.259 -0.504 581 H CYS 67 HN CYS 67 0.645 3.766 -1.338 582 HA CYS 67 HA CYS 67 -0.307 2.280 -3.695 583 HB2 CYS 67 2HB CYS 67 -1.985 3.098 -1.324 584 HB3 CYS 67 3HB CYS 67 -2.380 1.925 -2.574 585 HG CYS 67 HG CYS 67 0.368 1.225 -0.765 586 H HIS 68 HN HIS 68 -2.400 3.191 -4.608 587 HA HIS 68 HA HIS 68 -2.190 6.128 -4.739 588 HB2 HIS 68 2HB HIS 68 -1.560 4.880 -6.828 589 HB3 HIS 68 3HB HIS 68 -3.220 4.298 -6.914 590 HD2 HIS 68 2HD HIS 68 -2.873 8.003 -5.914 591 HE1 HIS 68 1HE HIS 68 -3.943 7.873 -10.017 592 HE2 HIS 68 2HE HIS 68 -3.556 9.350 -8.014 593 H ILE 69 HN ILE 69 -3.808 7.057 -3.680 594 HA ILE 69 HA ILE 69 -6.298 5.693 -3.206 595 HB ILE 69 HB ILE 69 -5.470 8.521 -2.541 596 HG12 ILE 69 2HG1 ILE 69 -5.643 6.076 -0.768 597 HG13 ILE 69 3HG1 ILE 69 -4.147 6.718 -1.437 598 HG21 ILE 69 1HG2 ILE 69 -8.020 7.614 -2.687 599 HG22 ILE 69 2HG2 ILE 69 -7.621 7.235 -1.012 600 HG23 ILE 69 3HG2 ILE 69 -7.477 8.891 -1.599 601 HD11 ILE 69 3HD1 ILE 69 -5.982 8.046 0.538 602 HD12 ILE 69 1HD1 ILE 69 -4.342 7.459 0.815 603 HD13 ILE 69 2HD1 ILE 69 -4.616 8.848 -0.237 604 H GLN 70 HN GLN 70 -7.897 5.633 -4.628 605 HA GLN 70 HA GLN 70 -8.164 7.834 -6.558 606 HB2 GLN 70 2HB GLN 70 -9.005 4.944 -6.664 607 HB3 GLN 70 3HB GLN 70 -9.625 6.139 -7.795 608 HG2 GLN 70 2HG GLN 70 -7.163 6.655 -8.291 609 HG3 GLN 70 3HG GLN 70 -6.827 5.125 -7.482 610 HE21 GLN 70 1HE2 GLN 70 -6.397 5.881 -10.255 611 HE22 GLN 70 2HE2 GLN 70 -7.291 4.752 -11.209 612 H ASP 71 HN ASP 71 -9.435 9.293 -5.509 613 HA ASP 71 HA ASP 71 -11.575 8.735 -3.810 614 HB2 ASP 71 2HB ASP 71 -11.205 11.149 -5.598 615 HB3 ASP 71 3HB ASP 71 -12.278 11.056 -4.203 616 H ARG 72 HN ARG 72 -11.470 9.120 -7.313 617 HA ARG 72 HA ARG 72 -13.992 9.400 -8.128 618 HB2 ARG 72 2HB ARG 72 -12.107 7.252 -9.116 619 HB3 ARG 72 3HB ARG 72 -13.540 7.803 -9.975 620 HG2 ARG 72 2HG ARG 72 -12.433 10.143 -9.795 621 HG3 ARG 72 3HG ARG 72 -10.958 9.220 -9.503 622 HD2 ARG 72 2HD ARG 72 -10.969 8.284 -11.613 623 HD3 ARG 72 3HD ARG 72 -12.704 8.515 -11.819 624 HE ARG 72 HE ARG 72 -11.338 11.002 -11.650 625 HH11 ARG 72 2HH1 ARG 72 -12.031 8.351 -13.797 626 HH12 ARG 72 1HH1 ARG 72 -11.875 9.304 -15.235 627 HH21 ARG 72 2HH2 ARG 72 -11.129 12.268 -13.536 628 HH22 ARG 72 1HH2 ARG 72 -11.361 11.532 -15.085 629 H GLU 73 HN GLU 73 -12.716 6.178 -7.266 630 HA GLU 73 HA GLU 73 -15.472 5.390 -6.578 631 HB2 GLU 73 2HB GLU 73 -13.256 3.594 -7.581 632 HB3 GLU 73 3HB GLU 73 -14.908 3.110 -7.223 633 HG2 GLU 73 2HG GLU 73 -15.078 3.328 -9.468 634 HG3 GLU 73 3HG GLU 73 -15.459 4.985 -9.003 635 H ALA 74 HN ALA 74 -13.467 6.624 -4.847 636 HA ALA 74 HA ALA 74 -12.293 6.265 -2.889 637 HB1 ALA 74 1HB ALA 74 -13.918 6.283 -1.377 638 HB2 ALA 74 2HB ALA 74 -15.050 5.830 -2.652 639 HB3 ALA 74 3HB ALA 74 -14.278 4.582 -1.674 640 H THR 75 HN THR 75 -11.354 4.460 -4.768 641 HA THR 75 HA THR 75 -10.994 2.008 -3.169 642 HB THR 75 HB THR 75 -10.922 2.322 -6.175 643 HG1 THR 75 1HG THR 75 -12.702 1.097 -4.339 644 HG21 THR 75 3HG2 THR 75 -9.609 0.524 -6.253 645 HG22 THR 75 1HG2 THR 75 -10.859 -0.396 -5.417 646 HG23 THR 75 2HG2 THR 75 -9.598 0.420 -4.493 647 H VAL 76 HN VAL 76 -8.958 1.350 -2.709 648 HA VAL 76 HA VAL 76 -6.776 3.115 -3.579 649 HB VAL 76 HB VAL 76 -6.850 1.183 -1.256 650 HG11 VAL 76 1HG1 VAL 76 -4.664 2.336 -2.600 651 HG12 VAL 76 2HG1 VAL 76 -4.833 3.205 -1.074 652 HG13 VAL 76 3HG1 VAL 76 -4.654 1.450 -1.075 653 HG21 VAL 76 3HG2 VAL 76 -7.580 2.836 0.079 654 HG22 VAL 76 1HG2 VAL 76 -6.610 4.060 -0.741 655 HG23 VAL 76 2HG2 VAL 76 -8.161 3.564 -1.419 656 H LEU 77 HN LEU 77 -5.057 2.361 -4.693 657 HA LEU 77 HA LEU 77 -4.897 -0.539 -5.173 658 HB2 LEU 77 2HB LEU 77 -5.815 0.371 -7.156 659 HB3 LEU 77 3HB LEU 77 -4.680 1.720 -7.144 660 HG LEU 77 HG LEU 77 -2.911 -0.225 -7.422 661 HD11 LEU 77 1HD1 LEU 77 -3.971 -2.207 -7.517 662 HD12 LEU 77 2HD1 LEU 77 -4.240 -1.754 -9.200 663 HD13 LEU 77 3HD1 LEU 77 -5.506 -1.486 -8.002 664 HD21 LEU 77 3HD2 LEU 77 -2.767 0.350 -9.661 665 HD22 LEU 77 1HD2 LEU 77 -3.625 1.726 -8.968 666 HD23 LEU 77 2HD2 LEU 77 -4.517 0.483 -9.845 667 H VAL 78 HN VAL 78 -3.061 -1.291 -4.369 668 HA VAL 78 HA VAL 78 -0.887 0.293 -3.567 669 HB VAL 78 HB VAL 78 -0.857 -2.665 -4.182 670 HG11 VAL 78 1HG1 VAL 78 0.845 -1.352 -2.117 671 HG12 VAL 78 2HG1 VAL 78 1.130 -2.828 -3.041 672 HG13 VAL 78 3HG1 VAL 78 1.322 -1.253 -3.811 673 HG21 VAL 78 3HG2 VAL 78 -1.023 -1.994 -1.389 674 HG22 VAL 78 1HG2 VAL 78 -2.377 -1.292 -2.276 675 HG23 VAL 78 2HG2 VAL 78 -2.075 -3.028 -2.356 676 H LEU 79 HN LEU 79 0.954 0.927 -4.546 677 HA LEU 79 HA LEU 79 1.264 0.230 -7.386 678 HB2 LEU 79 2HB LEU 79 1.806 2.669 -5.789 679 HB3 LEU 79 3HB LEU 79 2.893 2.321 -7.132 680 HG LEU 79 HG LEU 79 -0.098 2.659 -7.354 681 HD11 LEU 79 1HD1 LEU 79 1.749 4.564 -8.631 682 HD12 LEU 79 2HD1 LEU 79 1.646 4.652 -6.873 683 HD13 LEU 79 3HD1 LEU 79 0.191 4.836 -7.851 684 HD21 LEU 79 3HD2 LEU 79 0.060 1.874 -9.426 685 HD22 LEU 79 1HD2 LEU 79 1.709 1.370 -9.056 686 HD23 LEU 79 2HD2 LEU 79 1.412 2.948 -9.786 687 H ARG 80 HN ARG 80 3.128 0.783 -4.411 688 HA ARG 80 HA ARG 80 5.098 -1.165 -5.374 689 HB2 ARG 80 2HB ARG 80 5.684 1.603 -4.329 690 HB3 ARG 80 3HB ARG 80 6.892 0.325 -4.348 691 HG2 ARG 80 2HG ARG 80 5.442 0.995 -6.863 692 HG3 ARG 80 3HG ARG 80 6.745 2.044 -6.302 693 HD2 ARG 80 2HD ARG 80 7.000 -0.931 -6.717 694 HD3 ARG 80 3HD ARG 80 7.484 0.286 -7.897 695 HE ARG 80 HE ARG 80 8.699 0.691 -5.341 696 HH11 ARG 80 2HH1 ARG 80 8.907 -1.111 -8.312 697 HH12 ARG 80 1HH1 ARG 80 10.612 -1.385 -8.179 698 HH21 ARG 80 2HH2 ARG 80 10.945 0.336 -5.154 699 HH22 ARG 80 1HH2 ARG 80 11.770 -0.563 -6.382 700 H VAL 81 HN VAL 81 6.383 -2.126 -3.673 701 HA VAL 81 HA VAL 81 5.526 -1.689 -0.931 702 HB VAL 81 HB VAL 81 3.883 -3.315 -1.765 703 HG11 VAL 81 1HG1 VAL 81 4.410 -5.015 -3.100 704 HG12 VAL 81 2HG1 VAL 81 6.044 -4.354 -3.182 705 HG13 VAL 81 3HG1 VAL 81 5.650 -5.587 -1.984 706 HG21 VAL 81 3HG2 VAL 81 3.948 -3.953 0.368 707 HG22 VAL 81 1HG2 VAL 81 5.035 -5.250 -0.129 708 HG23 VAL 81 2HG2 VAL 81 5.695 -3.720 0.449 709 H GLY 82 HN GLY 82 7.375 -1.536 0.148 710 HA2 GLY 82 1HA GLY 82 9.326 -3.662 0.005 711 HA3 GLY 82 2HA GLY 82 9.900 -2.126 -0.628 712 H HIS 83 HN HIS 83 11.009 -3.484 1.599 713 HA HIS 83 HA HIS 83 10.101 -2.542 4.078 714 HB2 HIS 83 2HB HIS 83 11.730 -4.377 3.830 715 HB3 HIS 83 3HB HIS 83 12.933 -3.225 3.256 716 HD2 HIS 83 2HD HIS 83 11.335 -4.424 6.586 717 HE1 HIS 83 1HE HIS 83 14.344 -1.579 7.507 718 HE2 HIS 83 2HE HIS 83 12.797 -3.342 8.425 719 H ALA 84 HN ALA 84 10.342 -0.669 5.153 720 HA ALA 84 HA ALA 84 10.659 1.751 4.094 721 HB1 ALA 84 1HB ALA 84 10.242 1.120 6.537 722 HB2 ALA 84 2HB ALA 84 11.994 1.203 6.725 723 HB3 ALA 84 3HB ALA 84 11.093 2.631 6.216 724 H ARG 85 HN ARG 85 13.450 0.121 5.618 725 HA ARG 85 HA ARG 85 15.403 1.898 4.777 726 HB2 ARG 85 2HB ARG 85 16.102 0.363 6.384 727 HB3 ARG 85 3HB ARG 85 15.448 -1.010 5.501 728 HG2 ARG 85 2HG ARG 85 17.263 -1.156 4.105 729 HG3 ARG 85 3HG ARG 85 17.691 0.544 4.309 730 HD2 ARG 85 2HD ARG 85 19.297 -0.926 5.423 731 HD3 ARG 85 3HD ARG 85 18.446 0.097 6.580 732 HE ARG 85 HE ARG 85 16.999 -2.216 6.519 733 HH11 ARG 85 2HH1 ARG 85 20.330 -1.412 7.129 734 HH12 ARG 85 1HH1 ARG 85 20.586 -2.735 8.218 735 HH21 ARG 85 2HH2 ARG 85 17.323 -3.962 7.950 736 HH22 ARG 85 1HH2 ARG 85 18.876 -4.186 8.683 737 H ASP 86 HN ASP 86 14.350 -1.114 3.197 738 HA ASP 86 HA ASP 86 16.054 -1.045 1.007 739 HB2 ASP 86 2HB ASP 86 14.397 -2.877 1.734 740 HB3 ASP 86 3HB ASP 86 13.201 -1.984 0.799 741 H VAL 87 HN VAL 87 12.621 -0.076 0.915 742 HA VAL 87 HA VAL 87 12.361 1.051 -1.482 743 HB VAL 87 HB VAL 87 11.419 2.203 1.138 744 HG11 VAL 87 1HG1 VAL 87 10.558 3.042 -1.629 745 HG12 VAL 87 2HG1 VAL 87 9.910 3.637 -0.099 746 HG13 VAL 87 3HG1 VAL 87 11.577 3.994 -0.550 747 HG21 VAL 87 3HG2 VAL 87 9.432 1.196 -0.715 748 HG22 VAL 87 1HG2 VAL 87 10.637 -0.027 -0.311 749 HG23 VAL 87 2HG2 VAL 87 9.722 0.766 0.971 750 H TYR 88 HN TYR 88 13.178 3.265 1.178 751 HA TYR 88 HA TYR 88 15.474 4.335 -0.129 752 HB2 TYR 88 2HB TYR 88 14.697 6.299 -1.035 753 HB3 TYR 88 3HB TYR 88 13.308 5.261 -1.337 754 HD1 TYR 88 2HD TYR 88 14.621 7.498 1.359 755 HD2 TYR 88 1HD TYR 88 11.230 6.099 -0.797 756 HE1 TYR 88 2HE TYR 88 13.190 9.062 2.606 757 HE2 TYR 88 1HE TYR 88 9.790 7.660 0.443 758 HH TYR 88 HH TYR 88 9.684 9.193 2.043 759 H ARG 89 HN ARG 89 16.675 5.629 1.220 760 HA ARG 89 HA ARG 89 16.420 5.383 3.943 761 HB2 ARG 89 2HB ARG 89 18.414 6.225 2.563 762 HB3 ARG 89 3HB ARG 89 17.670 7.814 2.682 763 HG2 ARG 89 2HG ARG 89 17.701 7.495 5.190 764 HG3 ARG 89 3HG ARG 89 18.736 6.096 4.901 765 HD2 ARG 89 2HD ARG 89 20.285 7.771 5.254 766 HD3 ARG 89 3HD ARG 89 20.148 7.766 3.496 767 HE ARG 89 HE ARG 89 18.351 9.604 4.767 768 HH11 ARG 89 2HH1 ARG 89 21.592 9.150 3.580 769 HH12 ARG 89 1HH1 ARG 89 21.877 10.841 3.331 770 HH21 ARG 89 2HH2 ARG 89 18.714 11.833 4.443 771 HH22 ARG 89 1HH2 ARG 89 20.240 12.366 3.823 Start of MODEL 6 1 H1 MET 1 HN MET 1 -18.885 -2.081 2.075 2 HA MET 1 HA MET 1 -19.130 0.831 2.439 3 HB2 MET 1 2HB MET 1 -19.213 0.551 4.830 4 HB3 MET 1 3HB MET 1 -20.481 -0.430 4.107 5 HG2 MET 1 2HG MET 1 -19.307 -2.427 4.499 6 HG3 MET 1 3HG MET 1 -17.808 -1.568 4.847 7 HE1 MET 1 3HE MET 1 -17.958 -0.540 8.404 8 HE2 MET 1 1HE MET 1 -17.123 -0.574 6.850 9 HE3 MET 1 2HE MET 1 -18.388 0.618 7.145 10 H GLY 2 HN GLY 2 -17.302 1.923 3.157 11 HA2 GLY 2 1HA GLY 2 -15.073 2.239 3.708 12 HA3 GLY 2 2HA GLY 2 -14.903 0.498 3.879 13 H TYR 3 HN TYR 3 -13.010 2.220 2.645 14 HA TYR 3 HA TYR 3 -13.221 2.217 -0.170 15 HB2 TYR 3 2HB TYR 3 -10.906 2.475 1.734 16 HB3 TYR 3 3HB TYR 3 -10.652 2.441 -0.007 17 HD1 TYR 3 2HD TYR 3 -12.858 4.184 2.464 18 HD2 TYR 3 1HD TYR 3 -10.504 4.479 -1.068 19 HE1 TYR 3 2HE TYR 3 -13.335 6.594 2.354 20 HE2 TYR 3 1HE TYR 3 -10.973 6.890 -1.187 21 HH TYR 3 HH TYR 3 -13.037 8.413 -0.223 22 H ARG 4 HN ARG 4 -12.242 0.883 -1.720 23 HA ARG 4 HA ARG 4 -12.145 -1.903 -0.973 24 HB2 ARG 4 2HB ARG 4 -13.255 -1.327 -3.036 25 HB3 ARG 4 3HB ARG 4 -11.820 -0.501 -3.628 26 HG2 ARG 4 2HG ARG 4 -11.833 -2.540 -4.756 27 HG3 ARG 4 3HG ARG 4 -10.656 -2.763 -3.461 28 HD2 ARG 4 2HD ARG 4 -11.977 -4.721 -3.487 29 HD3 ARG 4 3HD ARG 4 -12.533 -3.776 -2.105 30 HE ARG 4 HE ARG 4 -14.083 -3.178 -4.393 31 HH11 ARG 4 2HH1 ARG 4 -13.568 -5.662 -2.008 32 HH12 ARG 4 1HH1 ARG 4 -15.181 -6.285 -2.119 33 HH21 ARG 4 2HH2 ARG 4 -16.209 -3.989 -4.548 34 HH22 ARG 4 1HH2 ARG 4 -16.682 -5.333 -3.565 35 H ILE 5 HN ILE 5 -10.381 -3.310 -1.323 36 HA ILE 5 HA ILE 5 -7.769 -1.954 -1.246 37 HB ILE 5 HB ILE 5 -8.438 -4.710 -0.209 38 HG12 ILE 5 2HG1 ILE 5 -9.595 -3.009 1.106 39 HG13 ILE 5 3HG1 ILE 5 -8.265 -3.693 2.035 40 HG21 ILE 5 1HG2 ILE 5 -6.219 -4.945 -0.313 41 HG22 ILE 5 2HG2 ILE 5 -5.962 -3.223 -0.589 42 HG23 ILE 5 3HG2 ILE 5 -6.166 -3.831 1.054 43 HD11 ILE 5 3HD1 ILE 5 -6.897 -1.725 1.427 44 HD12 ILE 5 1HD1 ILE 5 -8.311 -1.033 0.633 45 HD13 ILE 5 2HD1 ILE 5 -8.331 -1.326 2.373 46 H GLU 6 HN GLU 6 -6.658 -2.091 -3.072 47 HA GLU 6 HA GLU 6 -6.788 -4.599 -4.611 48 HB2 GLU 6 2HB GLU 6 -6.781 -1.763 -5.643 49 HB3 GLU 6 3HB GLU 6 -6.414 -3.151 -6.658 50 HG2 GLU 6 2HG GLU 6 -8.693 -4.053 -5.837 51 HG3 GLU 6 3HG GLU 6 -9.002 -2.377 -5.387 52 H PHE 7 HN PHE 7 -4.883 -5.008 -5.956 53 HA PHE 7 HA PHE 7 -2.453 -3.638 -5.050 54 HB2 PHE 7 2HB PHE 7 -3.054 -6.573 -4.864 55 HB3 PHE 7 3HB PHE 7 -1.394 -6.020 -5.063 56 HD1 PHE 7 1HD PHE 7 -4.391 -5.514 -2.917 57 HD2 PHE 7 2HD PHE 7 -0.144 -5.459 -3.203 58 HE1 PHE 7 1HE PHE 7 -4.235 -5.127 -0.492 59 HE2 PHE 7 2HE PHE 7 0.018 -5.074 -0.779 60 HZ PHE 7 HZ PHE 7 -2.029 -4.908 0.580 61 H ASP 8 HN ASP 8 -1.320 -2.976 -6.739 62 HA ASP 8 HA ASP 8 -1.932 -3.448 -9.387 63 HB2 ASP 8 2HB ASP 8 0.448 -2.398 -7.950 64 HB3 ASP 8 3HB ASP 8 0.674 -2.863 -9.634 65 HA PRO 9 HA PRO 9 -0.311 -7.348 -10.564 66 HB2 PRO 9 2HB PRO 9 0.795 -6.836 -12.990 67 HB3 PRO 9 3HB PRO 9 -0.951 -6.868 -12.718 68 HG2 PRO 9 2HG PRO 9 0.897 -4.519 -12.883 69 HG3 PRO 9 3HG PRO 9 -0.716 -4.725 -13.590 70 HD2 PRO 9 2HD PRO 9 -0.291 -3.319 -11.315 71 HD3 PRO 9 3HD PRO 9 -1.785 -4.232 -11.608 72 H ARG 10 HN ARG 10 1.794 -4.709 -10.080 73 HA ARG 10 HA ARG 10 4.200 -6.331 -10.437 74 HB2 ARG 10 2HB ARG 10 3.915 -3.405 -9.727 75 HB3 ARG 10 3HB ARG 10 5.426 -4.237 -10.072 76 HG2 ARG 10 2HG ARG 10 3.158 -3.909 -12.025 77 HG3 ARG 10 3HG ARG 10 4.603 -2.897 -11.965 78 HD2 ARG 10 2HD ARG 10 5.855 -5.183 -12.141 79 HD3 ARG 10 3HD ARG 10 4.316 -5.755 -12.783 80 HE ARG 10 HE ARG 10 4.767 -3.566 -14.268 81 HH11 ARG 10 2HH1 ARG 10 6.784 -6.280 -13.438 82 HH12 ARG 10 1HH1 ARG 10 7.698 -6.218 -14.910 83 HH21 ARG 10 2HH2 ARG 10 5.962 -3.474 -16.209 84 HH22 ARG 10 1HH2 ARG 10 7.230 -4.621 -16.484 85 H ALA 11 HN ALA 11 2.589 -4.386 -7.934 86 HA ALA 11 HA ALA 11 4.364 -4.953 -5.843 87 HB1 ALA 11 1HB ALA 11 2.733 -4.074 -4.381 88 HB2 ALA 11 2HB ALA 11 2.547 -3.193 -5.898 89 HB3 ALA 11 3HB ALA 11 1.416 -4.481 -5.483 90 H GLU 12 HN GLU 12 1.374 -6.592 -6.839 91 HA GLU 12 HA GLU 12 0.968 -8.411 -4.887 92 HB2 GLU 12 2HB GLU 12 0.704 -8.551 -7.847 93 HB3 GLU 12 3HB GLU 12 0.556 -10.056 -6.950 94 HG2 GLU 12 2HG GLU 12 -1.033 -7.635 -6.192 95 HG3 GLU 12 3HG GLU 12 -1.570 -8.727 -7.467 96 H LYS 13 HN LYS 13 3.425 -8.667 -7.428 97 HA LYS 13 HA LYS 13 4.434 -11.171 -6.449 98 HB2 LYS 13 2HB LYS 13 5.433 -9.204 -8.505 99 HB3 LYS 13 3HB LYS 13 6.319 -10.664 -8.084 100 HG2 LYS 13 2HG LYS 13 3.464 -10.934 -8.855 101 HG3 LYS 13 3HG LYS 13 4.648 -10.591 -10.119 102 HD2 LYS 13 2HD LYS 13 5.945 -12.550 -9.435 103 HD3 LYS 13 3HD LYS 13 4.769 -12.888 -8.162 104 HE2 LYS 13 2HE LYS 13 3.028 -13.178 -9.865 105 HE3 LYS 13 3HE LYS 13 4.213 -12.854 -11.128 106 HZ1 LYS 13 3HZ LYS 13 4.329 -15.117 -9.208 107 HZ2 LYS 13 1HZ LYS 13 5.435 -14.814 -10.452 108 HZ3 LYS 13 2HZ LYS 13 3.838 -15.228 -10.823 109 H GLU 14 HN GLU 14 5.412 -7.780 -6.245 110 HA GLU 14 HA GLU 14 7.887 -8.176 -4.981 111 HB2 GLU 14 2HB GLU 14 5.992 -5.832 -4.734 112 HB3 GLU 14 3HB GLU 14 7.688 -5.827 -4.270 113 HG2 GLU 14 2HG GLU 14 8.420 -5.933 -6.479 114 HG3 GLU 14 3HG GLU 14 6.851 -6.479 -7.069 115 H LEU 15 HN LEU 15 4.636 -8.272 -3.780 116 HA LEU 15 HA LEU 15 5.465 -8.125 -1.001 117 HB2 LEU 15 2HB LEU 15 3.383 -7.070 -1.636 118 HB3 LEU 15 3HB LEU 15 2.774 -8.595 -2.277 119 HG LEU 15 HG LEU 15 3.515 -8.461 0.605 120 HD11 LEU 15 1HD1 LEU 15 0.941 -7.366 -0.519 121 HD12 LEU 15 2HD1 LEU 15 2.219 -6.419 0.242 122 HD13 LEU 15 3HD1 LEU 15 1.316 -7.602 1.188 123 HD21 LEU 15 3HD2 LEU 15 1.577 -9.996 0.756 124 HD22 LEU 15 1HD2 LEU 15 2.848 -10.584 -0.316 125 HD23 LEU 15 2HD2 LEU 15 1.383 -9.873 -0.994 126 H GLU 16 HN GLU 16 3.917 -10.510 -3.145 127 HA GLU 16 HA GLU 16 3.733 -12.629 -1.380 128 HB2 GLU 16 2HB GLU 16 3.313 -13.965 -3.210 129 HB3 GLU 16 3HB GLU 16 2.991 -12.374 -3.884 130 HG2 GLU 16 2HG GLU 16 5.142 -12.325 -4.944 131 HG3 GLU 16 3HG GLU 16 5.609 -13.830 -4.155 132 H LYS 17 HN LYS 17 6.526 -11.371 -3.043 133 HA LYS 17 HA LYS 17 8.229 -13.608 -2.635 134 HB2 LYS 17 2HB LYS 17 9.941 -12.287 -3.499 135 HB3 LYS 17 3HB LYS 17 8.506 -11.604 -4.252 136 HG2 LYS 17 2HG LYS 17 9.520 -9.687 -3.592 137 HG3 LYS 17 3HG LYS 17 8.588 -10.025 -2.132 138 HD2 LYS 17 2HD LYS 17 10.684 -9.592 -1.265 139 HD3 LYS 17 3HD LYS 17 10.715 -11.350 -1.413 140 HE2 LYS 17 2HE LYS 17 11.920 -11.174 -3.513 141 HE3 LYS 17 3HE LYS 17 11.830 -9.414 -3.441 142 HZ1 LYS 17 3HZ LYS 17 13.958 -10.617 -2.650 143 HZ2 LYS 17 1HZ LYS 17 13.079 -10.902 -1.232 144 HZ3 LYS 17 2HZ LYS 17 13.361 -9.316 -1.748 145 H LEU 18 HN LEU 18 7.367 -10.821 -0.708 146 HA LEU 18 HA LEU 18 9.458 -10.953 1.174 147 HB2 LEU 18 2HB LEU 18 6.645 -9.904 1.367 148 HB3 LEU 18 3HB LEU 18 7.825 -9.743 2.666 149 HG LEU 18 HG LEU 18 8.357 -8.662 -0.085 150 HD11 LEU 18 1HD1 LEU 18 6.319 -7.786 1.688 151 HD12 LEU 18 2HD1 LEU 18 6.848 -7.062 0.170 152 HD13 LEU 18 3HD1 LEU 18 7.609 -6.583 1.687 153 HD21 LEU 18 3HD2 LEU 18 9.360 -7.325 2.325 154 HD22 LEU 18 1HD2 LEU 18 10.188 -7.736 0.822 155 HD23 LEU 18 2HD2 LEU 18 9.978 -8.959 2.075 156 H ASP 19 HN ASP 19 9.031 -11.451 3.548 157 HA ASP 19 HA ASP 19 8.614 -14.176 3.886 158 HB2 ASP 19 2HB ASP 19 9.793 -12.546 5.456 159 HB3 ASP 19 3HB ASP 19 8.193 -12.146 6.076 160 H ARG 20 HN ARG 20 6.942 -15.350 4.967 161 HA ARG 20 HA ARG 20 4.360 -14.794 4.019 162 HB2 ARG 20 2HB ARG 20 5.525 -16.754 5.945 163 HB3 ARG 20 3HB ARG 20 3.777 -16.563 5.901 164 HG2 ARG 20 2HG ARG 20 4.135 -16.862 3.316 165 HG3 ARG 20 3HG ARG 20 5.620 -17.656 3.843 166 HD2 ARG 20 2HD ARG 20 3.069 -18.400 5.177 167 HD3 ARG 20 3HD ARG 20 3.358 -18.992 3.542 168 HE ARG 20 HE ARG 20 4.523 -19.986 5.906 169 HH11 ARG 20 2HH1 ARG 20 5.330 -19.202 2.612 170 HH12 ARG 20 1HH1 ARG 20 6.609 -20.367 2.510 171 HH21 ARG 20 2HH2 ARG 20 6.203 -21.523 5.785 172 HH22 ARG 20 1HH2 ARG 20 7.103 -21.688 4.316 173 H GLU 21 HN GLU 21 5.655 -14.608 7.336 174 HA GLU 21 HA GLU 21 3.343 -13.603 8.544 175 HB2 GLU 21 2HB GLU 21 6.203 -13.052 9.352 176 HB3 GLU 21 3HB GLU 21 4.784 -12.920 10.381 177 HG2 GLU 21 2HG GLU 21 4.555 -15.190 10.598 178 HG3 GLU 21 3HG GLU 21 5.382 -15.528 9.079 179 H VAL 22 HN VAL 22 5.844 -12.026 6.699 180 HA VAL 22 HA VAL 22 5.199 -9.359 7.485 181 HB VAL 22 HB VAL 22 6.784 -10.493 5.193 182 HG11 VAL 22 1HG1 VAL 22 5.801 -8.522 4.283 183 HG12 VAL 22 2HG1 VAL 22 6.128 -7.608 5.756 184 HG13 VAL 22 3HG1 VAL 22 7.462 -8.127 4.725 185 HG21 VAL 22 3HG2 VAL 22 8.659 -9.443 6.363 186 HG22 VAL 22 1HG2 VAL 22 7.553 -8.846 7.601 187 HG23 VAL 22 2HG2 VAL 22 7.808 -10.580 7.408 188 H ALA 23 HN ALA 23 4.475 -11.301 4.592 189 HA ALA 23 HA ALA 23 2.974 -9.372 3.230 190 HB1 ALA 23 1HB ALA 23 3.620 -12.126 2.904 191 HB2 ALA 23 2HB ALA 23 1.889 -11.914 2.635 192 HB3 ALA 23 3HB ALA 23 3.048 -10.972 1.698 193 H ARG 24 HN ARG 24 1.911 -11.954 5.435 194 HA ARG 24 HA ARG 24 -0.836 -11.441 5.288 195 HB2 ARG 24 2HB ARG 24 -1.033 -12.716 7.337 196 HB3 ARG 24 3HB ARG 24 0.162 -13.473 6.293 197 HG2 ARG 24 2HG ARG 24 1.951 -12.416 7.610 198 HG3 ARG 24 3HG ARG 24 0.728 -11.732 8.682 199 HD2 ARG 24 2HD ARG 24 -0.063 -14.138 9.021 200 HD3 ARG 24 3HD ARG 24 1.461 -14.615 8.273 201 HE ARG 24 HE ARG 24 2.525 -14.095 10.223 202 HH11 ARG 24 2HH1 ARG 24 -0.586 -12.534 10.194 203 HH12 ARG 24 1HH1 ARG 24 -0.459 -11.960 11.824 204 HH21 ARG 24 2HH2 ARG 24 2.705 -13.346 12.370 205 HH22 ARG 24 1HH2 ARG 24 1.414 -12.422 13.061 206 H ARG 25 HN ARG 25 1.575 -10.268 7.630 207 HA ARG 25 HA ARG 25 -0.064 -8.778 9.271 208 HB2 ARG 25 2HB ARG 25 2.186 -9.008 9.928 209 HB3 ARG 25 3HB ARG 25 2.786 -8.381 8.399 210 HG2 ARG 25 2HG ARG 25 1.883 -6.160 8.999 211 HG3 ARG 25 3HG ARG 25 1.407 -6.814 10.567 212 HD2 ARG 25 2HD ARG 25 3.904 -7.532 10.720 213 HD3 ARG 25 3HD ARG 25 4.143 -6.310 9.472 214 HE ARG 25 HE ARG 25 3.884 -4.705 11.071 215 HH11 ARG 25 2HH1 ARG 25 2.507 -7.679 12.245 216 HH12 ARG 25 1HH1 ARG 25 2.181 -7.055 13.828 217 HH21 ARG 25 2HH2 ARG 25 3.460 -3.872 13.152 218 HH22 ARG 25 1HH2 ARG 25 2.723 -4.890 14.342 219 H ILE 26 HN ILE 26 1.406 -7.831 6.191 220 HA ILE 26 HA ILE 26 0.610 -5.146 6.190 221 HB ILE 26 HB ILE 26 1.130 -7.047 3.909 222 HG12 ILE 26 2HG1 ILE 26 2.739 -4.747 5.041 223 HG13 ILE 26 3HG1 ILE 26 3.048 -6.452 5.352 224 HG21 ILE 26 1HG2 ILE 26 1.206 -5.068 2.451 225 HG22 ILE 26 2HG2 ILE 26 -0.401 -5.340 3.124 226 HG23 ILE 26 3HG2 ILE 26 0.631 -4.075 3.791 227 HD11 ILE 26 3HD1 ILE 26 3.334 -6.709 2.852 228 HD12 ILE 26 1HD1 ILE 26 3.356 -4.947 2.777 229 HD13 ILE 26 2HD1 ILE 26 4.586 -5.806 3.705 230 H LEU 27 HN LEU 27 -0.902 -7.844 4.404 231 HA LEU 27 HA LEU 27 -3.171 -6.489 3.566 232 HB2 LEU 27 2HB LEU 27 -2.596 -9.373 4.118 233 HB3 LEU 27 3HB LEU 27 -4.218 -8.863 3.652 234 HG LEU 27 HG LEU 27 -1.808 -8.228 1.971 235 HD11 LEU 27 1HD1 LEU 27 -1.895 -10.231 0.877 236 HD12 LEU 27 2HD1 LEU 27 -3.575 -10.531 1.322 237 HD13 LEU 27 3HD1 LEU 27 -2.293 -10.759 2.512 238 HD21 LEU 27 3HD2 LEU 27 -3.961 -8.566 0.338 239 HD22 LEU 27 1HD2 LEU 27 -3.408 -7.016 0.972 240 HD23 LEU 27 2HD2 LEU 27 -4.712 -7.885 1.782 241 H ARG 28 HN ARG 28 -2.587 -8.242 6.580 242 HA ARG 28 HA ARG 28 -5.227 -8.004 7.583 243 HB2 ARG 28 2HB ARG 28 -3.593 -9.661 8.416 244 HB3 ARG 28 3HB ARG 28 -2.641 -8.354 9.108 245 HG2 ARG 28 2HG ARG 28 -5.491 -8.554 9.901 246 HG3 ARG 28 3HG ARG 28 -4.365 -9.752 10.541 247 HD2 ARG 28 2HD ARG 28 -2.922 -7.573 11.014 248 HD3 ARG 28 3HD ARG 28 -4.520 -6.827 11.027 249 HE ARG 28 HE ARG 28 -4.853 -7.758 13.076 250 HH11 ARG 28 2HH1 ARG 28 -2.429 -9.618 11.407 251 HH12 ARG 28 1HH1 ARG 28 -2.121 -10.666 12.753 252 HH21 ARG 28 2HH2 ARG 28 -4.456 -9.130 14.853 253 HH22 ARG 28 1HH2 ARG 28 -3.275 -10.388 14.712 254 H PHE 29 HN PHE 29 -2.533 -5.848 7.453 255 HA PHE 29 HA PHE 29 -3.498 -4.105 9.542 256 HB2 PHE 29 2HB PHE 29 -1.141 -4.139 9.298 257 HB3 PHE 29 3HB PHE 29 -1.242 -3.922 7.553 258 HD1 PHE 29 1HD PHE 29 -1.678 -2.242 10.807 259 HD2 PHE 29 2HD PHE 29 -1.355 -1.768 6.590 260 HE1 PHE 29 1HE PHE 29 -1.431 0.188 11.103 261 HE2 PHE 29 2HE PHE 29 -1.106 0.662 6.878 262 HZ PHE 29 HZ PHE 29 -1.143 1.644 9.137 263 H LEU 30 HN LEU 30 -3.666 -4.309 6.055 264 HA LEU 30 HA LEU 30 -4.900 -1.684 5.833 265 HB2 LEU 30 2HB LEU 30 -4.098 -3.786 3.845 266 HB3 LEU 30 3HB LEU 30 -5.071 -2.391 3.382 267 HG LEU 30 HG LEU 30 -2.488 -1.903 4.779 268 HD11 LEU 30 1HD1 LEU 30 -2.777 -3.208 2.154 269 HD12 LEU 30 2HD1 LEU 30 -1.424 -3.210 3.285 270 HD13 LEU 30 3HD1 LEU 30 -1.677 -1.830 2.216 271 HD21 LEU 30 3HD2 LEU 30 -3.161 -0.367 2.408 272 HD22 LEU 30 1HD2 LEU 30 -2.807 0.178 4.048 273 HD23 LEU 30 2HD2 LEU 30 -4.441 -0.333 3.622 274 H ARG 31 HN ARG 31 -5.794 -5.039 5.926 275 HA ARG 31 HA ARG 31 -8.468 -4.588 4.933 276 HB2 ARG 31 2HB ARG 31 -8.743 -6.879 4.996 277 HB3 ARG 31 3HB ARG 31 -7.001 -6.753 4.791 278 HG2 ARG 31 2HG ARG 31 -6.871 -6.905 7.338 279 HG3 ARG 31 3HG ARG 31 -8.550 -7.444 7.260 280 HD2 ARG 31 2HD ARG 31 -7.904 -9.282 5.797 281 HD3 ARG 31 3HD ARG 31 -6.230 -8.729 5.824 282 HE ARG 31 HE ARG 31 -6.896 -9.115 8.454 283 HH11 ARG 31 2HH1 ARG 31 -6.863 -11.074 5.575 284 HH12 ARG 31 1HH1 ARG 31 -6.546 -12.550 6.426 285 HH21 ARG 31 2HH2 ARG 31 -6.479 -11.052 9.585 286 HH22 ARG 31 1HH2 ARG 31 -6.329 -12.536 8.706 287 H GLU 32 HN GLU 32 -6.870 -4.281 7.907 288 HA GLU 32 HA GLU 32 -9.406 -4.451 9.391 289 HB2 GLU 32 2HB GLU 32 -6.540 -4.686 10.298 290 HB3 GLU 32 3HB GLU 32 -7.874 -4.474 11.423 291 HG2 GLU 32 2HG GLU 32 -8.064 -6.673 9.442 292 HG3 GLU 32 3HG GLU 32 -6.940 -6.858 10.788 293 H ARG 33 HN ARG 33 -6.388 -2.548 9.345 294 HA ARG 33 HA ARG 33 -7.556 -0.352 10.746 295 HB2 ARG 33 2HB ARG 33 -5.048 -0.266 9.074 296 HB3 ARG 33 3HB ARG 33 -5.467 0.752 10.445 297 HG2 ARG 33 2HG ARG 33 -5.209 -2.192 10.832 298 HG3 ARG 33 3HG ARG 33 -3.759 -1.192 10.719 299 HD2 ARG 33 2HD ARG 33 -4.205 -0.085 12.677 300 HD3 ARG 33 3HD ARG 33 -5.946 -0.327 12.542 301 HE ARG 33 HE ARG 33 -5.031 -2.829 12.940 302 HH11 ARG 33 2HH1 ARG 33 -4.476 0.180 14.600 303 HH12 ARG 33 1HH1 ARG 33 -4.229 -0.567 16.144 304 HH21 ARG 33 2HH2 ARG 33 -4.707 -3.824 14.967 305 HH22 ARG 33 1HH2 ARG 33 -4.359 -2.845 16.351 306 H VAL 34 HN VAL 34 -6.097 -0.321 7.495 307 HA VAL 34 HA VAL 34 -7.337 2.008 6.623 308 HB VAL 34 HB VAL 34 -6.442 -0.343 4.949 309 HG11 VAL 34 1HG1 VAL 34 -6.395 1.143 3.079 310 HG12 VAL 34 2HG1 VAL 34 -7.996 1.256 3.813 311 HG13 VAL 34 3HG1 VAL 34 -6.803 2.524 4.096 312 HG21 VAL 34 3HG2 VAL 34 -4.469 0.270 5.883 313 HG22 VAL 34 1HG2 VAL 34 -4.527 1.497 4.618 314 HG23 VAL 34 2HG2 VAL 34 -5.027 1.900 6.261 315 H ALA 35 HN ALA 35 -8.485 -1.302 6.617 316 HA ALA 35 HA ALA 35 -10.652 -1.003 4.854 317 HB1 ALA 35 1HB ALA 35 -10.533 -2.870 7.215 318 HB2 ALA 35 2HB ALA 35 -11.477 -3.062 5.737 319 HB3 ALA 35 3HB ALA 35 -9.718 -3.169 5.679 320 H THR 36 HN THR 36 -10.557 -0.843 8.413 321 HA THR 36 HA THR 36 -13.289 -0.073 8.655 322 HB THR 36 HB THR 36 -12.814 0.326 11.000 323 HG1 THR 36 1HG THR 36 -10.077 -0.230 10.574 324 HG21 THR 36 3HG2 THR 36 -11.936 -2.112 9.630 325 HG22 THR 36 1HG2 THR 36 -13.027 -1.914 11.001 326 HG23 THR 36 2HG2 THR 36 -11.281 -1.922 11.256 327 H LEU 37 HN LEU 37 -10.225 1.682 8.607 328 HA LEU 37 HA LEU 37 -10.988 4.186 9.412 329 HB2 LEU 37 2HB LEU 37 -9.063 3.289 7.296 330 HB3 LEU 37 3HB LEU 37 -9.297 4.999 7.652 331 HG LEU 37 HG LEU 37 -8.448 2.980 9.721 332 HD11 LEU 37 1HD1 LEU 37 -6.204 4.278 9.345 333 HD12 LEU 37 2HD1 LEU 37 -6.861 4.522 7.727 334 HD13 LEU 37 3HD1 LEU 37 -6.620 2.888 8.343 335 HD21 LEU 37 3HD2 LEU 37 -9.203 4.783 10.913 336 HD22 LEU 37 1HD2 LEU 37 -8.815 5.933 9.633 337 HD23 LEU 37 2HD2 LEU 37 -7.528 5.267 10.639 338 H GLU 38 HN GLU 38 -12.597 5.458 8.800 339 HA GLU 38 HA GLU 38 -14.253 5.079 6.620 340 HB2 GLU 38 2HB GLU 38 -13.655 7.699 8.007 341 HB3 GLU 38 3HB GLU 38 -15.066 7.358 7.015 342 HG2 GLU 38 2HG GLU 38 -14.411 5.818 9.508 343 HG3 GLU 38 3HG GLU 38 -15.410 7.270 9.504 344 H ASP 39 HN ASP 39 -11.164 6.627 6.780 345 HA ASP 39 HA ASP 39 -11.290 7.114 3.894 346 HB2 ASP 39 2HB ASP 39 -9.856 9.241 4.459 347 HB3 ASP 39 3HB ASP 39 -11.614 9.312 4.533 348 HA PRO 40 HA PRO 40 -7.413 5.019 3.995 349 HB2 PRO 40 2HB PRO 40 -6.526 5.718 1.526 350 HB3 PRO 40 3HB PRO 40 -7.803 4.524 1.785 351 HG2 PRO 40 2HG PRO 40 -8.035 7.415 1.043 352 HG3 PRO 40 3HG PRO 40 -8.922 6.020 0.400 353 HD2 PRO 40 2HD PRO 40 -9.979 7.695 2.247 354 HD3 PRO 40 3HD PRO 40 -10.379 5.966 2.185 355 H ARG 41 HN ARG 41 -7.721 8.439 3.529 356 HA ARG 41 HA ARG 41 -4.872 8.941 3.648 357 HB2 ARG 41 2HB ARG 41 -7.259 10.795 3.650 358 HB3 ARG 41 3HB ARG 41 -5.588 11.344 3.688 359 HG2 ARG 41 2HG ARG 41 -5.202 10.195 1.534 360 HG3 ARG 41 3HG ARG 41 -6.915 9.774 1.490 361 HD2 ARG 41 2HD ARG 41 -6.908 11.692 0.228 362 HD3 ARG 41 3HD ARG 41 -7.243 12.349 1.829 363 HE ARG 41 HE ARG 41 -4.447 12.249 1.089 364 HH11 ARG 41 2HH1 ARG 41 -7.378 14.126 1.172 365 HH12 ARG 41 1HH1 ARG 41 -6.560 15.649 1.064 366 HH21 ARG 41 2HH2 ARG 41 -3.359 14.249 0.946 367 HH22 ARG 41 1HH2 ARG 41 -4.274 15.718 0.935 368 H SER 42 HN SER 42 -6.239 7.564 5.883 369 HA SER 42 HA SER 42 -6.036 9.515 8.049 370 HB2 SER 42 2HB SER 42 -7.902 7.700 7.776 371 HB3 SER 42 3HB SER 42 -6.694 6.616 8.466 372 HG SER 42 HG SER 42 -7.206 7.410 10.329 373 H LEU 43 HN LEU 43 -4.704 6.333 7.169 374 HA LEU 43 HA LEU 43 -2.502 6.794 9.059 375 HB2 LEU 43 2HB LEU 43 -3.699 4.336 7.845 376 HB3 LEU 43 3HB LEU 43 -2.056 4.304 8.482 377 HG LEU 43 HG LEU 43 -4.506 5.027 10.087 378 HD11 LEU 43 1HD1 LEU 43 -3.417 2.465 9.310 379 HD12 LEU 43 2HD1 LEU 43 -4.918 2.844 10.154 380 HD13 LEU 43 3HD1 LEU 43 -3.416 2.670 11.062 381 HD21 LEU 43 3HD2 LEU 43 -2.911 4.621 11.990 382 HD22 LEU 43 1HD2 LEU 43 -2.594 6.067 11.032 383 HD23 LEU 43 2HD2 LEU 43 -1.609 4.623 10.800 384 H GLY 44 HN GLY 44 -0.671 7.546 8.238 385 HA2 GLY 44 1HA GLY 44 1.197 6.860 6.713 386 HA3 GLY 44 2HA GLY 44 -0.014 6.860 5.439 387 H GLU 45 HN GLU 45 1.723 8.332 4.534 388 HA GLU 45 HA GLU 45 1.021 11.099 5.228 389 HB2 GLU 45 2HB GLU 45 3.296 11.827 5.054 390 HB3 GLU 45 3HB GLU 45 3.247 10.486 6.190 391 HG2 GLU 45 2HG GLU 45 4.102 8.979 4.517 392 HG3 GLU 45 3HG GLU 45 4.039 10.249 3.296 393 HA PRO 46 HA PRO 46 0.292 11.516 0.908 394 HB2 PRO 46 2HB PRO 46 0.489 14.216 0.698 395 HB3 PRO 46 3HB PRO 46 -0.895 13.409 1.445 396 HG2 PRO 46 2HG PRO 46 1.480 14.688 2.743 397 HG3 PRO 46 3HG PRO 46 -0.231 14.784 3.199 398 HD2 PRO 46 2HD PRO 46 1.523 13.150 4.459 399 HD3 PRO 46 3HD PRO 46 -0.192 12.738 4.261 400 H LEU 47 HN LEU 47 1.460 11.531 -0.943 401 HA LEU 47 HA LEU 47 4.315 12.103 -0.717 402 HB2 LEU 47 2HB LEU 47 3.177 9.964 -1.728 403 HB3 LEU 47 3HB LEU 47 3.057 10.969 -3.171 404 HG LEU 47 HG LEU 47 5.644 11.305 -2.708 405 HD11 LEU 47 1HD1 LEU 47 5.154 8.547 -1.604 406 HD12 LEU 47 2HD1 LEU 47 5.534 9.956 -0.615 407 HD13 LEU 47 3HD1 LEU 47 6.703 9.368 -1.797 408 HD21 LEU 47 3HD2 LEU 47 5.063 8.661 -3.877 409 HD22 LEU 47 1HD2 LEU 47 5.947 10.033 -4.546 410 HD23 LEU 47 2HD2 LEU 47 4.183 10.025 -4.568 411 H ARG 48 HN ARG 48 5.311 13.740 -1.737 412 HA ARG 48 HA ARG 48 3.857 15.218 -3.810 413 HB2 ARG 48 2HB ARG 48 3.557 16.328 -1.573 414 HB3 ARG 48 3HB ARG 48 5.297 16.577 -1.529 415 HG2 ARG 48 2HG ARG 48 5.250 18.180 -3.165 416 HG3 ARG 48 3HG ARG 48 3.766 17.554 -3.886 417 HD2 ARG 48 2HD ARG 48 2.662 18.279 -1.664 418 HD3 ARG 48 3HD ARG 48 4.111 19.261 -1.449 419 HE ARG 48 HE ARG 48 3.081 19.755 -4.002 420 HH11 ARG 48 2HH1 ARG 48 2.242 20.259 -0.661 421 HH12 ARG 48 1HH1 ARG 48 1.317 21.690 -0.973 422 HH21 ARG 48 2HH2 ARG 48 1.866 21.638 -4.426 423 HH22 ARG 48 1HH2 ARG 48 1.103 22.473 -3.115 424 H GLY 49 HN GLY 49 5.120 14.986 -5.543 425 HA2 GLY 49 1HA GLY 49 7.963 15.694 -5.267 426 HA3 GLY 49 2HA GLY 49 7.519 14.203 -6.085 427 HA PRO 50 HA PRO 50 7.682 17.866 -9.063 428 HB2 PRO 50 2HB PRO 50 9.795 17.003 -10.533 429 HB3 PRO 50 3HB PRO 50 9.973 18.031 -9.106 430 HG2 PRO 50 2HG PRO 50 10.313 15.068 -9.359 431 HG3 PRO 50 3HG PRO 50 11.317 16.239 -8.484 432 HD2 PRO 50 2HD PRO 50 9.491 14.671 -7.243 433 HD3 PRO 50 3HD PRO 50 9.885 16.307 -6.679 434 H GLU 51 HN GLU 51 8.382 14.430 -9.685 435 HA GLU 51 HA GLU 51 6.721 14.580 -12.104 436 HB2 GLU 51 2HB GLU 51 8.988 13.720 -12.441 437 HB3 GLU 51 3HB GLU 51 8.708 12.474 -11.232 438 HG2 GLU 51 2HG GLU 51 6.837 11.638 -12.693 439 HG3 GLU 51 3HG GLU 51 7.426 12.742 -13.934 440 H LEU 52 HN LEU 52 7.172 12.787 -9.097 441 HA LEU 52 HA LEU 52 5.154 10.871 -9.494 442 HB2 LEU 52 2HB LEU 52 6.629 11.956 -7.159 443 HB3 LEU 52 3HB LEU 52 5.149 11.053 -6.842 444 HG LEU 52 HG LEU 52 7.142 9.647 -6.648 445 HD11 LEU 52 1HD1 LEU 52 5.821 7.989 -7.286 446 HD12 LEU 52 2HD1 LEU 52 6.201 8.321 -8.976 447 HD13 LEU 52 3HD1 LEU 52 4.833 9.125 -8.206 448 HD21 LEU 52 3HD2 LEU 52 8.257 11.052 -8.592 449 HD22 LEU 52 1HD2 LEU 52 7.598 9.750 -9.582 450 HD23 LEU 52 2HD2 LEU 52 8.721 9.380 -8.273 451 H GLY 53 HN GLY 53 2.993 10.903 -9.235 452 HA2 GLY 53 1HA GLY 53 1.670 13.434 -9.027 453 HA3 GLY 53 2HA GLY 53 0.896 11.862 -9.167 454 H ARG 54 HN ARG 54 -0.663 12.304 -7.614 455 HA ARG 54 HA ARG 54 0.280 12.857 -4.894 456 HB2 ARG 54 2HB ARG 54 -1.695 14.077 -6.165 457 HB3 ARG 54 3HB ARG 54 -2.619 12.697 -5.587 458 HG2 ARG 54 2HG ARG 54 -2.295 13.265 -3.348 459 HG3 ARG 54 3HG ARG 54 -0.947 14.341 -3.724 460 HD2 ARG 54 2HD ARG 54 -3.757 14.849 -4.671 461 HD3 ARG 54 3HD ARG 54 -3.147 15.449 -3.129 462 HE ARG 54 HE ARG 54 -1.321 16.281 -4.998 463 HH11 ARG 54 2HH1 ARG 54 -4.742 16.684 -4.493 464 HH12 ARG 54 1HH1 ARG 54 -4.801 18.245 -5.242 465 HH21 ARG 54 2HH2 ARG 54 -1.386 18.335 -5.986 466 HH22 ARG 54 1HH2 ARG 54 -2.891 19.183 -6.092 467 H PHE 55 HN PHE 55 1.039 10.850 -4.262 468 HA PHE 55 HA PHE 55 -0.996 8.727 -4.068 469 HB2 PHE 55 2HB PHE 55 2.006 8.391 -4.246 470 HB3 PHE 55 3HB PHE 55 0.824 7.091 -4.135 471 HD1 PHE 55 1HD PHE 55 -0.969 7.023 -6.016 472 HD2 PHE 55 2HD PHE 55 2.740 9.089 -6.316 473 HE1 PHE 55 1HE PHE 55 -1.142 6.970 -8.470 474 HE2 PHE 55 2HE PHE 55 2.573 9.040 -8.770 475 HZ PHE 55 HZ PHE 55 0.630 7.980 -9.850 476 H TRP 56 HN TRP 56 -1.119 7.541 -2.148 477 HA TRP 56 HA TRP 56 -0.163 8.989 0.189 478 HB2 TRP 56 2HB TRP 56 -2.566 8.066 -0.183 479 HB3 TRP 56 3HB TRP 56 -1.870 6.520 0.294 480 HD1 TRP 56 1HD TRP 56 -1.624 6.076 2.831 481 HE1 TRP 56 1HE TRP 56 -2.042 7.459 4.962 482 HE3 TRP 56 3HE TRP 56 -2.416 10.650 0.689 483 HZ2 TRP 56 2HZ TRP 56 -2.631 10.134 5.644 484 HZ3 TRP 56 3HZ TRP 56 -2.901 12.569 2.151 485 HH2 TRP 56 2HH TRP 56 -3.006 12.314 4.576 486 H LYS 57 HN LYS 57 1.017 8.033 1.877 487 HA LYS 57 HA LYS 57 2.442 5.562 1.132 488 HB2 LYS 57 2HB LYS 57 3.995 7.371 0.966 489 HB3 LYS 57 3HB LYS 57 3.471 8.045 2.504 490 HG2 LYS 57 2HG LYS 57 5.438 7.043 3.106 491 HG3 LYS 57 3HG LYS 57 4.286 5.752 3.453 492 HD2 LYS 57 2HD LYS 57 6.015 4.687 2.289 493 HD3 LYS 57 3HD LYS 57 4.764 4.942 1.070 494 HE2 LYS 57 2HE LYS 57 6.621 5.668 -0.064 495 HE3 LYS 57 3HE LYS 57 6.065 7.179 0.653 496 HZ1 LYS 57 3HZ LYS 57 7.728 7.112 2.262 497 HZ2 LYS 57 1HZ LYS 57 8.521 6.611 0.853 498 HZ3 LYS 57 2HZ LYS 57 8.056 5.471 2.013 499 H TYR 58 HN TYR 58 2.007 3.926 2.443 500 HA TYR 58 HA TYR 58 1.011 4.484 5.142 501 HB2 TYR 58 2HB TYR 58 0.885 2.017 3.405 502 HB3 TYR 58 3HB TYR 58 0.372 2.037 5.089 503 HD1 TYR 58 1HD TYR 58 -1.465 3.714 5.738 504 HD2 TYR 58 2HD TYR 58 -0.599 2.639 1.713 505 HE1 TYR 58 1HE TYR 58 -3.691 4.505 5.054 506 HE2 TYR 58 2HE TYR 58 -2.823 3.428 1.018 507 HH TYR 58 HH TYR 58 -5.156 4.668 3.388 508 H ARG 59 HN ARG 59 1.734 3.084 6.912 509 HA ARG 59 HA ARG 59 4.478 2.087 6.558 510 HB2 ARG 59 2HB ARG 59 4.889 2.979 8.927 511 HB3 ARG 59 3HB ARG 59 4.860 4.147 7.613 512 HG2 ARG 59 2HG ARG 59 2.351 3.598 9.121 513 HG3 ARG 59 3HG ARG 59 3.595 4.617 9.847 514 HD2 ARG 59 2HD ARG 59 3.534 5.809 7.511 515 HD3 ARG 59 3HD ARG 59 1.930 5.083 7.416 516 HE ARG 59 HE ARG 59 1.215 6.706 8.836 517 HH11 ARG 59 2HH1 ARG 59 4.623 6.224 9.362 518 HH12 ARG 59 1HH1 ARG 59 4.750 7.479 10.550 519 HH21 ARG 59 2HH2 ARG 59 1.370 8.361 10.398 520 HH22 ARG 59 1HH2 ARG 59 2.899 8.694 11.139 521 H VAL 60 HN VAL 60 4.791 0.101 7.333 522 HA VAL 60 HA VAL 60 2.857 -0.959 9.289 523 HB VAL 60 HB VAL 60 4.105 -2.416 6.956 524 HG11 VAL 60 1HG1 VAL 60 2.103 -3.951 8.262 525 HG12 VAL 60 2HG1 VAL 60 3.815 -4.324 8.053 526 HG13 VAL 60 3HG1 VAL 60 3.274 -3.428 9.473 527 HG21 VAL 60 3HG2 VAL 60 1.822 -2.676 6.172 528 HG22 VAL 60 1HG2 VAL 60 1.216 -1.818 7.589 529 HG23 VAL 60 2HG2 VAL 60 2.195 -0.967 6.394 530 H GLY 61 HN GLY 61 4.410 -0.300 10.916 531 HA2 GLY 61 1HA GLY 61 6.024 -0.826 12.464 532 HA3 GLY 61 2HA GLY 61 6.081 -2.425 11.737 533 H ASP 62 HN ASP 62 7.407 -2.681 9.790 534 HA ASP 62 HA ASP 62 9.559 -0.692 9.574 535 HB2 ASP 62 2HB ASP 62 9.811 -3.625 10.149 536 HB3 ASP 62 3HB ASP 62 11.083 -2.794 9.258 537 H TYR 63 HN TYR 63 7.266 -1.196 7.885 538 HA TYR 63 HA TYR 63 8.704 -1.752 5.397 539 HB2 TYR 63 2HB TYR 63 6.107 -3.048 6.232 540 HB3 TYR 63 3HB TYR 63 6.685 -3.026 4.570 541 HD1 TYR 63 1HD TYR 63 7.672 -4.093 8.000 542 HD2 TYR 63 2HD TYR 63 8.116 -4.703 3.812 543 HE1 TYR 63 1HE TYR 63 8.997 -6.118 8.441 544 HE2 TYR 63 2HE TYR 63 9.441 -6.730 4.242 545 HH TYR 63 HH TYR 63 10.953 -7.525 6.359 546 H ARG 64 HN ARG 64 8.197 -0.395 3.773 547 HA ARG 64 HA ARG 64 6.097 1.589 4.299 548 HB2 ARG 64 2HB ARG 64 8.689 1.645 2.831 549 HB3 ARG 64 3HB ARG 64 7.398 2.693 2.258 550 HG2 ARG 64 2HG ARG 64 9.036 3.705 3.890 551 HG3 ARG 64 3HG ARG 64 7.325 3.886 4.282 552 HD2 ARG 64 2HD ARG 64 7.589 1.803 5.712 553 HD3 ARG 64 3HD ARG 64 9.328 2.002 5.499 554 HE ARG 64 HE ARG 64 7.658 3.466 7.263 555 HH11 ARG 64 2HH1 ARG 64 10.428 3.790 5.180 556 HH12 ARG 64 1HH1 ARG 64 11.115 5.102 6.079 557 HH21 ARG 64 2HH2 ARG 64 8.552 5.192 8.456 558 HH22 ARG 64 1HH2 ARG 64 10.047 5.898 7.943 559 H LEU 65 HN LEU 65 4.358 1.769 3.018 560 HA LEU 65 HA LEU 65 4.310 0.185 0.534 561 HB2 LEU 65 2HB LEU 65 1.863 0.741 2.170 562 HB3 LEU 65 3HB LEU 65 2.113 -0.494 0.938 563 HG LEU 65 HG LEU 65 3.479 -0.531 3.624 564 HD11 LEU 65 1HD1 LEU 65 1.809 -2.283 4.198 565 HD12 LEU 65 2HD1 LEU 65 0.906 -1.833 2.752 566 HD13 LEU 65 3HD1 LEU 65 1.127 -0.662 4.051 567 HD21 LEU 65 3HD2 LEU 65 3.009 -2.752 1.643 568 HD22 LEU 65 1HD2 LEU 65 4.012 -2.792 3.094 569 HD23 LEU 65 2HD2 LEU 65 4.493 -1.800 1.717 570 H ILE 66 HN ILE 66 3.779 1.247 -1.268 571 HA ILE 66 HA ILE 66 2.712 3.978 -0.989 572 HB ILE 66 HB ILE 66 4.397 2.818 -3.211 573 HG12 ILE 66 2HG1 ILE 66 6.045 4.537 -2.419 574 HG13 ILE 66 3HG1 ILE 66 4.992 4.842 -1.043 575 HG21 ILE 66 1HG2 ILE 66 4.276 4.875 -4.322 576 HG22 ILE 66 2HG2 ILE 66 2.617 4.542 -3.828 577 HG23 ILE 66 3HG2 ILE 66 3.594 5.694 -2.918 578 HD11 ILE 66 3HD1 ILE 66 5.765 3.076 0.055 579 HD12 ILE 66 1HD1 ILE 66 5.612 2.028 -1.355 580 HD13 ILE 66 2HD1 ILE 66 7.051 3.027 -1.150 581 H CYS 67 HN CYS 67 0.551 3.754 -1.213 582 HA CYS 67 HA CYS 67 -0.423 2.313 -3.591 583 HB2 CYS 67 2HB CYS 67 -2.125 2.975 -1.200 584 HB3 CYS 67 3HB CYS 67 -2.404 1.762 -2.443 585 HG CYS 67 HG CYS 67 0.406 1.003 -0.988 586 H HIS 68 HN HIS 68 -2.453 3.203 -4.529 587 HA HIS 68 HA HIS 68 -2.385 6.146 -4.467 588 HB2 HIS 68 2HB HIS 68 -1.731 5.040 -6.623 589 HB3 HIS 68 3HB HIS 68 -3.365 4.390 -6.724 590 HD2 HIS 68 2HD HIS 68 -2.682 8.126 -5.729 591 HE1 HIS 68 1HE HIS 68 -4.636 8.028 -9.494 592 HE2 HIS 68 2HE HIS 68 -3.710 9.495 -7.668 593 H ILE 69 HN ILE 69 -4.112 7.151 -3.688 594 HA ILE 69 HA ILE 69 -6.523 5.623 -3.129 595 HB ILE 69 HB ILE 69 -5.728 8.434 -2.370 596 HG12 ILE 69 2HG1 ILE 69 -6.113 6.022 -0.597 597 HG13 ILE 69 3HG1 ILE 69 -4.553 6.458 -1.286 598 HG21 ILE 69 1HG2 ILE 69 -8.053 8.544 -2.480 599 HG22 ILE 69 2HG2 ILE 69 -8.253 6.892 -1.898 600 HG23 ILE 69 3HG2 ILE 69 -7.734 8.161 -0.788 601 HD11 ILE 69 3HD1 ILE 69 -4.669 8.619 -0.138 602 HD12 ILE 69 1HD1 ILE 69 -6.208 8.142 0.579 603 HD13 ILE 69 2HD1 ILE 69 -4.735 7.260 0.983 604 H GLN 70 HN GLN 70 -8.113 5.541 -4.560 605 HA GLN 70 HA GLN 70 -8.418 7.739 -6.482 606 HB2 GLN 70 2HB GLN 70 -9.231 4.845 -6.528 607 HB3 GLN 70 3HB GLN 70 -9.959 6.010 -7.626 608 HG2 GLN 70 2HG GLN 70 -7.771 6.542 -8.540 609 HG3 GLN 70 3HG GLN 70 -7.017 5.412 -7.416 610 HE21 GLN 70 1HE2 GLN 70 -6.388 4.933 -9.879 611 HE22 GLN 70 2HE2 GLN 70 -7.268 3.609 -10.555 612 H ASP 71 HN ASP 71 -9.698 9.239 -5.548 613 HA ASP 71 HA ASP 71 -11.780 8.777 -3.747 614 HB2 ASP 71 2HB ASP 71 -11.226 11.061 -5.637 615 HB3 ASP 71 3HB ASP 71 -12.587 11.076 -4.518 616 H ARG 72 HN ARG 72 -11.814 9.035 -7.274 617 HA ARG 72 HA ARG 72 -14.379 9.203 -7.982 618 HB2 ARG 72 2HB ARG 72 -12.258 7.333 -8.991 619 HB3 ARG 72 3HB ARG 72 -13.871 7.310 -9.692 620 HG2 ARG 72 2HG ARG 72 -12.256 9.830 -9.484 621 HG3 ARG 72 3HG ARG 72 -12.122 8.728 -10.856 622 HD2 ARG 72 2HD ARG 72 -14.742 9.882 -9.929 623 HD3 ARG 72 3HD ARG 72 -13.720 10.672 -11.129 624 HE ARG 72 HE ARG 72 -14.000 8.212 -12.162 625 HH11 ARG 72 2HH1 ARG 72 -16.312 10.480 -10.886 626 HH12 ARG 72 1HH1 ARG 72 -17.599 9.947 -11.916 627 HH21 ARG 72 2HH2 ARG 72 -15.686 7.501 -13.523 628 HH22 ARG 72 1HH2 ARG 72 -17.242 8.251 -13.415 629 H GLU 73 HN GLU 73 -12.926 6.099 -6.989 630 HA GLU 73 HA GLU 73 -15.613 5.227 -6.155 631 HB2 GLU 73 2HB GLU 73 -13.494 3.734 -7.671 632 HB3 GLU 73 3HB GLU 73 -14.666 2.867 -6.688 633 HG2 GLU 73 2HG GLU 73 -15.478 4.823 -8.813 634 HG3 GLU 73 3HG GLU 73 -15.196 3.116 -9.146 635 H ALA 74 HN ALA 74 -13.173 6.423 -4.772 636 HA ALA 74 HA ALA 74 -11.892 6.092 -2.898 637 HB1 ALA 74 1HB ALA 74 -13.380 4.834 -1.096 638 HB2 ALA 74 2HB ALA 74 -13.720 6.488 -1.605 639 HB3 ALA 74 3HB ALA 74 -14.637 5.148 -2.292 640 H THR 75 HN THR 75 -10.986 4.338 -4.683 641 HA THR 75 HA THR 75 -10.764 1.792 -3.213 642 HB THR 75 HB THR 75 -10.535 2.309 -6.182 643 HG1 THR 75 1HG THR 75 -12.453 1.198 -4.483 644 HG21 THR 75 3HG2 THR 75 -8.834 0.681 -5.335 645 HG22 THR 75 1HG2 THR 75 -9.991 -0.009 -6.472 646 HG23 THR 75 2HG2 THR 75 -10.162 -0.317 -4.744 647 H VAL 76 HN VAL 76 -8.812 1.208 -2.497 648 HA VAL 76 HA VAL 76 -6.526 2.902 -3.186 649 HB VAL 76 HB VAL 76 -6.698 0.813 -1.013 650 HG11 VAL 76 1HG1 VAL 76 -4.506 1.166 -0.870 651 HG12 VAL 76 2HG1 VAL 76 -4.579 2.487 -2.038 652 HG13 VAL 76 3HG1 VAL 76 -4.878 2.802 -0.328 653 HG21 VAL 76 3HG2 VAL 76 -7.707 2.262 0.364 654 HG22 VAL 76 1HG2 VAL 76 -6.728 3.616 -0.201 655 HG23 VAL 76 2HG2 VAL 76 -8.164 3.130 -1.102 656 H LEU 77 HN LEU 77 -4.816 2.191 -4.312 657 HA LEU 77 HA LEU 77 -4.606 -0.695 -4.854 658 HB2 LEU 77 2HB LEU 77 -5.525 0.284 -6.824 659 HB3 LEU 77 3HB LEU 77 -4.348 1.595 -6.790 660 HG LEU 77 HG LEU 77 -2.626 -0.366 -7.091 661 HD11 LEU 77 1HD1 LEU 77 -3.376 -2.359 -7.777 662 HD12 LEU 77 2HD1 LEU 77 -4.647 -1.650 -8.772 663 HD13 LEU 77 3HD1 LEU 77 -4.900 -1.865 -7.040 664 HD21 LEU 77 3HD2 LEU 77 -4.356 0.543 -9.386 665 HD22 LEU 77 1HD2 LEU 77 -2.680 0.001 -9.463 666 HD23 LEU 77 2HD2 LEU 77 -3.081 1.514 -8.649 667 H VAL 78 HN VAL 78 -2.748 -1.460 -4.119 668 HA VAL 78 HA VAL 78 -0.603 0.199 -3.285 669 HB VAL 78 HB VAL 78 -0.478 -2.776 -3.776 670 HG11 VAL 78 1HG1 VAL 78 0.977 -1.296 -1.628 671 HG12 VAL 78 2HG1 VAL 78 1.390 -2.817 -2.421 672 HG13 VAL 78 3HG1 VAL 78 1.604 -1.289 -3.276 673 HG21 VAL 78 3HG2 VAL 78 -2.222 -1.429 -2.052 674 HG22 VAL 78 1HG2 VAL 78 -1.834 -3.150 -2.054 675 HG23 VAL 78 2HG2 VAL 78 -0.922 -2.041 -1.029 676 H LEU 79 HN LEU 79 0.770 1.204 -4.587 677 HA LEU 79 HA LEU 79 1.223 0.284 -7.289 678 HB2 LEU 79 2HB LEU 79 2.017 2.681 -5.695 679 HB3 LEU 79 3HB LEU 79 2.871 2.309 -7.191 680 HG LEU 79 HG LEU 79 0.963 3.996 -7.306 681 HD11 LEU 79 1HD1 LEU 79 2.055 2.590 -9.193 682 HD12 LEU 79 2HD1 LEU 79 0.544 3.442 -9.509 683 HD13 LEU 79 3HD1 LEU 79 0.526 1.710 -9.181 684 HD21 LEU 79 3HD2 LEU 79 -1.269 2.835 -7.694 685 HD22 LEU 79 1HD2 LEU 79 -0.731 2.997 -6.022 686 HD23 LEU 79 2HD2 LEU 79 -0.569 1.450 -6.855 687 H ARG 80 HN ARG 80 3.339 1.022 -4.510 688 HA ARG 80 HA ARG 80 5.161 -1.084 -5.463 689 HB2 ARG 80 2HB ARG 80 5.987 1.263 -5.931 690 HB3 ARG 80 3HB ARG 80 6.077 1.494 -4.190 691 HG2 ARG 80 2HG ARG 80 8.244 0.920 -4.775 692 HG3 ARG 80 3HG ARG 80 7.563 -0.602 -4.197 693 HD2 ARG 80 2HD ARG 80 7.375 -1.476 -6.346 694 HD3 ARG 80 3HD ARG 80 7.456 0.115 -7.102 695 HE ARG 80 HE ARG 80 9.745 -0.018 -7.067 696 HH11 ARG 80 2HH1 ARG 80 8.413 -2.483 -5.000 697 HH12 ARG 80 1HH1 ARG 80 9.933 -3.277 -4.750 698 HH21 ARG 80 2HH2 ARG 80 11.751 -1.055 -6.745 699 HH22 ARG 80 1HH2 ARG 80 11.831 -2.464 -5.742 700 H VAL 81 HN VAL 81 6.438 -2.103 -3.819 701 HA VAL 81 HA VAL 81 5.612 -1.627 -1.053 702 HB VAL 81 HB VAL 81 4.116 -3.390 -1.935 703 HG11 VAL 81 1HG1 VAL 81 6.272 -5.395 -2.025 704 HG12 VAL 81 2HG1 VAL 81 4.818 -5.242 -3.014 705 HG13 VAL 81 3HG1 VAL 81 6.234 -4.252 -3.367 706 HG21 VAL 81 3HG2 VAL 81 4.430 -4.952 -0.118 707 HG22 VAL 81 1HG2 VAL 81 6.105 -4.435 0.078 708 HG23 VAL 81 2HG2 VAL 81 4.789 -3.320 0.445 709 H GLY 82 HN GLY 82 7.412 -1.381 0.088 710 HA2 GLY 82 1HA GLY 82 9.542 -3.327 -0.091 711 HA3 GLY 82 2HA GLY 82 9.989 -1.723 -0.653 712 H HIS 83 HN HIS 83 11.160 -3.085 1.552 713 HA HIS 83 HA HIS 83 10.100 -2.204 4.024 714 HB2 HIS 83 2HB HIS 83 11.749 -4.073 3.728 715 HB3 HIS 83 3HB HIS 83 12.986 -2.862 3.408 716 HD2 HIS 83 2HD HIS 83 11.925 -4.886 6.286 717 HE1 HIS 83 1HE HIS 83 13.192 -1.224 8.015 718 HE2 HIS 83 2HE HIS 83 12.684 -3.656 8.431 719 H ALA 84 HN ALA 84 10.883 -0.558 5.426 720 HA ALA 84 HA ALA 84 11.031 1.969 4.450 721 HB1 ALA 84 1HB ALA 84 11.764 2.690 6.563 722 HB2 ALA 84 2HB ALA 84 10.852 1.212 6.871 723 HB3 ALA 84 3HB ALA 84 12.615 1.177 6.876 724 H ARG 85 HN ARG 85 13.954 0.319 5.663 725 HA ARG 85 HA ARG 85 15.894 1.988 4.835 726 HB2 ARG 85 2HB ARG 85 17.398 0.100 4.663 727 HB3 ARG 85 3HB ARG 85 16.282 -0.166 5.995 728 HG2 ARG 85 2HG ARG 85 16.199 -2.219 5.040 729 HG3 ARG 85 3HG ARG 85 14.920 -1.434 4.111 730 HD2 ARG 85 2HD ARG 85 16.316 -2.595 2.569 731 HD3 ARG 85 3HD ARG 85 16.639 -0.872 2.383 732 HE ARG 85 HE ARG 85 18.789 -1.248 3.052 733 HH11 ARG 85 2HH1 ARG 85 16.825 -3.963 3.996 734 HH12 ARG 85 1HH1 ARG 85 18.169 -4.914 4.537 735 HH21 ARG 85 2HH2 ARG 85 20.567 -2.490 3.761 736 HH22 ARG 85 1HH2 ARG 85 20.297 -4.075 4.404 737 H ASP 86 HN ASP 86 14.016 -0.138 2.773 738 HA ASP 86 HA ASP 86 15.597 0.340 0.426 739 HB2 ASP 86 2HB ASP 86 14.208 -1.722 0.817 740 HB3 ASP 86 3HB ASP 86 12.774 -0.730 0.568 741 H VAL 87 HN VAL 87 12.140 1.033 0.929 742 HA VAL 87 HA VAL 87 11.990 2.999 -1.062 743 HB VAL 87 HB VAL 87 10.233 2.570 1.357 744 HG11 VAL 87 1HG1 VAL 87 9.984 4.852 0.579 745 HG12 VAL 87 2HG1 VAL 87 9.764 4.288 -1.079 746 HG13 VAL 87 3HG1 VAL 87 8.556 3.910 0.151 747 HG21 VAL 87 3HG2 VAL 87 10.469 1.295 -1.250 748 HG22 VAL 87 1HG2 VAL 87 9.628 0.755 0.204 749 HG23 VAL 87 2HG2 VAL 87 8.836 1.869 -0.911 750 H TYR 88 HN TYR 88 11.640 5.294 -0.838 751 HA TYR 88 HA TYR 88 13.622 6.696 0.385 752 HB2 TYR 88 2HB TYR 88 10.797 7.591 -0.204 753 HB3 TYR 88 3HB TYR 88 12.085 8.691 0.272 754 HD1 TYR 88 1HD TYR 88 14.375 8.018 -1.212 755 HD2 TYR 88 2HD TYR 88 10.312 7.757 -2.446 756 HE1 TYR 88 1HE TYR 88 15.082 8.211 -3.560 757 HE2 TYR 88 2HE TYR 88 11.008 7.948 -4.797 758 HH TYR 88 HH TYR 88 14.197 8.833 -5.704 759 H ARG 89 HN ARG 89 13.669 8.134 2.231 760 HA ARG 89 HA ARG 89 13.314 7.011 4.654 761 HB2 ARG 89 2HB ARG 89 13.220 9.885 3.806 762 HB3 ARG 89 3HB ARG 89 12.963 9.460 5.492 763 HG2 ARG 89 2HG ARG 89 15.126 8.643 5.746 764 HG3 ARG 89 3HG ARG 89 15.365 8.473 4.005 765 HD2 ARG 89 2HD ARG 89 14.877 11.172 5.196 766 HD3 ARG 89 3HD ARG 89 16.482 10.447 5.286 767 HE ARG 89 HE ARG 89 15.539 10.311 2.638 768 HH11 ARG 89 2HH1 ARG 89 16.675 12.619 4.984 769 HH12 ARG 89 1HH1 ARG 89 17.290 13.720 3.796 770 HH21 ARG 89 2HH2 ARG 89 16.345 11.753 1.065 771 HH22 ARG 89 1HH2 ARG 89 17.101 13.226 1.567 Start of MODEL 7 1 H1 MET 1 HN MET 1 -19.066 0.501 4.525 2 HA MET 1 HA MET 1 -18.343 -2.316 4.076 3 HB2 MET 1 2HB MET 1 -18.897 -0.236 1.953 4 HB3 MET 1 3HB MET 1 -18.248 -1.841 1.643 5 HG2 MET 1 2HG MET 1 -20.942 -1.230 2.837 6 HG3 MET 1 3HG MET 1 -20.633 -1.725 1.175 7 HE1 MET 1 3HE MET 1 -21.532 -5.195 1.409 8 HE2 MET 1 1HE MET 1 -22.644 -3.974 2.027 9 HE3 MET 1 2HE MET 1 -21.610 -3.606 0.647 10 H GLY 2 HN GLY 2 -17.431 1.056 3.365 11 HA2 GLY 2 1HA GLY 2 -15.350 2.043 3.792 12 HA3 GLY 2 2HA GLY 2 -14.690 0.450 4.131 13 H TYR 3 HN TYR 3 -13.124 2.023 2.692 14 HA TYR 3 HA TYR 3 -13.539 2.004 -0.100 15 HB2 TYR 3 2HB TYR 3 -11.126 2.376 1.649 16 HB3 TYR 3 3HB TYR 3 -10.953 2.284 -0.100 17 HD1 TYR 3 2HD TYR 3 -13.416 3.962 2.163 18 HD2 TYR 3 1HD TYR 3 -10.594 4.377 -0.994 19 HE1 TYR 3 2HE TYR 3 -13.972 6.351 1.988 20 HE2 TYR 3 1HE TYR 3 -11.141 6.768 -1.176 21 HH TYR 3 HH TYR 3 -12.150 8.515 -0.076 22 H ARG 4 HN ARG 4 -12.262 0.805 -1.692 23 HA ARG 4 HA ARG 4 -12.192 -2.019 -1.005 24 HB2 ARG 4 2HB ARG 4 -13.321 -1.315 -3.068 25 HB3 ARG 4 3HB ARG 4 -11.816 -0.628 -3.663 26 HG2 ARG 4 2HG ARG 4 -11.770 -2.623 -4.744 27 HG3 ARG 4 3HG ARG 4 -10.947 -3.090 -3.254 28 HD2 ARG 4 2HD ARG 4 -13.922 -3.344 -3.567 29 HD3 ARG 4 3HD ARG 4 -12.822 -4.609 -4.114 30 HE ARG 4 HE ARG 4 -12.063 -4.157 -1.546 31 HH11 ARG 4 2HH1 ARG 4 -15.095 -4.912 -3.082 32 HH12 ARG 4 1HH1 ARG 4 -15.726 -5.764 -1.711 33 HH21 ARG 4 2HH2 ARG 4 -12.883 -5.276 0.265 34 HH22 ARG 4 1HH2 ARG 4 -14.468 -5.969 0.192 35 H ILE 5 HN ILE 5 -10.399 -3.329 -1.109 36 HA ILE 5 HA ILE 5 -7.820 -1.921 -1.164 37 HB ILE 5 HB ILE 5 -8.397 -4.657 -0.030 38 HG12 ILE 5 2HG1 ILE 5 -9.646 -2.982 1.221 39 HG13 ILE 5 3HG1 ILE 5 -8.286 -3.551 2.182 40 HG21 ILE 5 1HG2 ILE 5 -5.992 -3.385 -0.675 41 HG22 ILE 5 2HG2 ILE 5 -6.138 -3.267 1.077 42 HG23 ILE 5 3HG2 ILE 5 -6.207 -4.844 0.291 43 HD11 ILE 5 3HD1 ILE 5 -8.253 -1.013 0.571 44 HD12 ILE 5 1HD1 ILE 5 -8.682 -1.098 2.280 45 HD13 ILE 5 2HD1 ILE 5 -7.061 -1.554 1.754 46 H GLU 6 HN GLU 6 -7.096 -1.971 -3.221 47 HA GLU 6 HA GLU 6 -7.026 -4.587 -4.576 48 HB2 GLU 6 2HB GLU 6 -7.094 -1.799 -5.738 49 HB3 GLU 6 3HB GLU 6 -6.808 -3.250 -6.689 50 HG2 GLU 6 2HG GLU 6 -9.290 -2.650 -5.096 51 HG3 GLU 6 3HG GLU 6 -9.122 -2.516 -6.846 52 H PHE 7 HN PHE 7 -5.153 -4.882 -6.061 53 HA PHE 7 HA PHE 7 -2.745 -3.456 -5.184 54 HB2 PHE 7 2HB PHE 7 -3.237 -6.416 -5.075 55 HB3 PHE 7 3HB PHE 7 -1.605 -5.796 -5.303 56 HD1 PHE 7 1HD PHE 7 -4.556 -5.424 -3.063 57 HD2 PHE 7 2HD PHE 7 -0.320 -5.292 -3.456 58 HE1 PHE 7 1HE PHE 7 -4.344 -5.108 -0.632 59 HE2 PHE 7 2HE PHE 7 -0.101 -4.977 -1.026 60 HZ PHE 7 HZ PHE 7 -2.114 -4.885 0.390 61 H ASP 8 HN ASP 8 -1.099 -3.323 -6.708 62 HA ASP 8 HA ASP 8 -1.953 -3.544 -9.440 63 HB2 ASP 8 2HB ASP 8 0.410 -2.437 -8.011 64 HB3 ASP 8 3HB ASP 8 0.621 -2.871 -9.705 65 HA PRO 9 HA PRO 9 -0.224 -7.399 -10.612 66 HB2 PRO 9 2HB PRO 9 0.834 -6.861 -13.054 67 HB3 PRO 9 3HB PRO 9 -0.907 -6.951 -12.760 68 HG2 PRO 9 2HG PRO 9 0.859 -4.542 -12.958 69 HG3 PRO 9 3HG PRO 9 -0.755 -4.805 -13.643 70 HD2 PRO 9 2HD PRO 9 -0.349 -3.375 -11.380 71 HD3 PRO 9 3HD PRO 9 -1.815 -4.340 -11.651 72 H ARG 10 HN ARG 10 1.795 -4.690 -10.160 73 HA ARG 10 HA ARG 10 4.252 -6.227 -10.546 74 HB2 ARG 10 2HB ARG 10 5.412 -4.098 -10.210 75 HB3 ARG 10 3HB ARG 10 4.186 -3.959 -11.463 76 HG2 ARG 10 2HG ARG 10 2.683 -3.097 -9.526 77 HG3 ARG 10 3HG ARG 10 4.223 -2.801 -8.716 78 HD2 ARG 10 2HD ARG 10 3.868 -1.854 -11.517 79 HD3 ARG 10 3HD ARG 10 3.086 -0.958 -10.216 80 HE ARG 10 HE ARG 10 5.157 -0.250 -9.484 81 HH11 ARG 10 2HH1 ARG 10 5.520 -2.692 -11.939 82 HH12 ARG 10 1HH1 ARG 10 7.219 -2.421 -12.142 83 HH21 ARG 10 2HH2 ARG 10 7.393 0.116 -9.742 84 HH22 ARG 10 1HH2 ARG 10 8.284 -0.824 -10.890 85 H ALA 11 HN ALA 11 2.674 -4.272 -8.022 86 HA ALA 11 HA ALA 11 4.483 -4.854 -5.963 87 HB1 ALA 11 1HB ALA 11 2.523 -4.263 -4.456 88 HB2 ALA 11 2HB ALA 11 3.027 -3.040 -5.624 89 HB3 ALA 11 3HB ALA 11 1.596 -4.023 -5.937 90 H GLU 12 HN GLU 12 1.566 -6.529 -7.042 91 HA GLU 12 HA GLU 12 1.093 -8.303 -5.034 92 HB2 GLU 12 2HB GLU 12 0.117 -8.056 -7.500 93 HB3 GLU 12 3HB GLU 12 1.168 -9.435 -7.788 94 HG2 GLU 12 2HG GLU 12 -0.671 -9.509 -5.454 95 HG3 GLU 12 3HG GLU 12 -1.335 -9.748 -7.069 96 H LYS 13 HN LYS 13 3.530 -8.669 -7.593 97 HA LYS 13 HA LYS 13 4.535 -11.136 -6.546 98 HB2 LYS 13 2HB LYS 13 5.571 -9.209 -8.624 99 HB3 LYS 13 3HB LYS 13 6.431 -10.677 -8.178 100 HG2 LYS 13 2HG LYS 13 3.576 -10.898 -8.977 101 HG3 LYS 13 3HG LYS 13 4.790 -10.617 -10.228 102 HD2 LYS 13 2HD LYS 13 5.913 -12.623 -9.738 103 HD3 LYS 13 3HD LYS 13 5.089 -12.803 -8.187 104 HE2 LYS 13 2HE LYS 13 3.645 -12.871 -10.827 105 HE3 LYS 13 3HE LYS 13 4.305 -14.315 -10.061 106 HZ1 LYS 13 3HZ LYS 13 2.529 -14.430 -8.769 107 HZ2 LYS 13 1HZ LYS 13 1.854 -13.103 -9.573 108 HZ3 LYS 13 2HZ LYS 13 2.787 -12.865 -8.183 109 H GLU 14 HN GLU 14 5.639 -7.764 -6.493 110 HA GLU 14 HA GLU 14 8.077 -8.090 -5.232 111 HB2 GLU 14 2HB GLU 14 6.082 -5.845 -4.884 112 HB3 GLU 14 3HB GLU 14 7.768 -5.777 -4.391 113 HG2 GLU 14 2HG GLU 14 6.806 -6.173 -7.214 114 HG3 GLU 14 3HG GLU 14 7.350 -4.644 -6.527 115 H LEU 15 HN LEU 15 4.845 -7.986 -3.833 116 HA LEU 15 HA LEU 15 5.782 -8.033 -1.121 117 HB2 LEU 15 2HB LEU 15 3.685 -7.018 -1.471 118 HB3 LEU 15 3HB LEU 15 3.092 -8.389 -2.407 119 HG LEU 15 HG LEU 15 3.776 -8.833 0.455 120 HD11 LEU 15 1HD1 LEU 15 2.496 -6.718 0.423 121 HD12 LEU 15 2HD1 LEU 15 1.631 -8.041 1.203 122 HD13 LEU 15 3HD1 LEU 15 1.198 -7.550 -0.434 123 HD21 LEU 15 3HD2 LEU 15 1.606 -9.850 -1.377 124 HD22 LEU 15 1HD2 LEU 15 1.874 -10.369 0.287 125 HD23 LEU 15 2HD2 LEU 15 3.091 -10.699 -0.946 126 H GLU 16 HN GLU 16 4.378 -10.412 -3.348 127 HA GLU 16 HA GLU 16 4.135 -12.592 -1.704 128 HB2 GLU 16 2HB GLU 16 4.840 -12.310 -4.600 129 HB3 GLU 16 3HB GLU 16 4.875 -13.901 -3.854 130 HG2 GLU 16 2HG GLU 16 2.502 -12.053 -3.954 131 HG3 GLU 16 3HG GLU 16 2.751 -13.479 -4.959 132 H LYS 17 HN LYS 17 7.061 -11.288 -3.155 133 HA LYS 17 HA LYS 17 8.801 -13.407 -2.560 134 HB2 LYS 17 2HB LYS 17 9.118 -10.507 -3.160 135 HB3 LYS 17 3HB LYS 17 10.495 -11.351 -2.464 136 HG2 LYS 17 2HG LYS 17 10.822 -12.641 -4.318 137 HG3 LYS 17 3HG LYS 17 9.124 -12.581 -4.795 138 HD2 LYS 17 2HD LYS 17 10.030 -11.203 -6.382 139 HD3 LYS 17 3HD LYS 17 9.666 -10.019 -5.124 140 HE2 LYS 17 2HE LYS 17 12.335 -11.388 -5.357 141 HE3 LYS 17 3HE LYS 17 11.965 -9.875 -6.182 142 HZ1 LYS 17 3HZ LYS 17 11.233 -9.199 -3.762 143 HZ2 LYS 17 1HZ LYS 17 12.843 -9.068 -4.268 144 HZ3 LYS 17 2HZ LYS 17 12.356 -10.390 -3.332 145 H LEU 18 HN LEU 18 7.765 -10.625 -0.654 146 HA LEU 18 HA LEU 18 9.542 -10.764 1.458 147 HB2 LEU 18 2HB LEU 18 6.607 -10.083 1.498 148 HB3 LEU 18 3HB LEU 18 7.720 -9.778 2.829 149 HG LEU 18 HG LEU 18 8.123 -8.587 0.097 150 HD11 LEU 18 1HD1 LEU 18 6.582 -7.017 0.434 151 HD12 LEU 18 2HD1 LEU 18 7.073 -6.783 2.111 152 HD13 LEU 18 3HD1 LEU 18 5.933 -8.063 1.696 153 HD21 LEU 18 3HD2 LEU 18 10.036 -7.974 1.057 154 HD22 LEU 18 1HD2 LEU 18 9.498 -8.513 2.647 155 HD23 LEU 18 2HD2 LEU 18 9.075 -6.899 2.074 156 H ASP 19 HN ASP 19 8.792 -11.403 3.775 157 HA ASP 19 HA ASP 19 8.587 -14.230 3.830 158 HB2 ASP 19 2HB ASP 19 9.677 -12.599 5.543 159 HB3 ASP 19 3HB ASP 19 8.058 -12.509 6.232 160 H ARG 20 HN ARG 20 6.941 -15.459 5.020 161 HA ARG 20 HA ARG 20 4.349 -14.932 4.028 162 HB2 ARG 20 2HB ARG 20 4.990 -17.204 4.401 163 HB3 ARG 20 3HB ARG 20 5.370 -16.884 6.088 164 HG2 ARG 20 2HG ARG 20 3.343 -17.952 6.249 165 HG3 ARG 20 3HG ARG 20 2.858 -16.255 6.265 166 HD2 ARG 20 2HD ARG 20 2.471 -16.412 3.810 167 HD3 ARG 20 3HD ARG 20 2.803 -18.141 3.914 168 HE ARG 20 HE ARG 20 0.839 -17.775 5.738 169 HH11 ARG 20 2HH1 ARG 20 1.181 -16.919 2.381 170 HH12 ARG 20 1HH1 ARG 20 -0.515 -17.027 2.046 171 HH21 ARG 20 2HH2 ARG 20 -1.397 -17.922 5.309 172 HH22 ARG 20 1HH2 ARG 20 -1.981 -17.597 3.713 173 H GLU 21 HN GLU 21 5.607 -14.890 7.366 174 HA GLU 21 HA GLU 21 3.302 -14.006 8.634 175 HB2 GLU 21 2HB GLU 21 5.519 -14.797 9.657 176 HB3 GLU 21 3HB GLU 21 6.060 -13.134 9.470 177 HG2 GLU 21 2HG GLU 21 3.934 -12.519 10.778 178 HG3 GLU 21 3HG GLU 21 3.903 -14.222 11.232 179 H VAL 22 HN VAL 22 5.885 -12.134 7.104 180 HA VAL 22 HA VAL 22 4.936 -9.582 7.857 181 HB VAL 22 HB VAL 22 6.641 -10.394 5.499 182 HG11 VAL 22 1HG1 VAL 22 5.809 -7.712 6.537 183 HG12 VAL 22 2HG1 VAL 22 7.352 -7.919 5.705 184 HG13 VAL 22 3HG1 VAL 22 5.842 -8.304 4.876 185 HG21 VAL 22 3HG2 VAL 22 8.436 -9.358 6.994 186 HG22 VAL 22 1HG2 VAL 22 7.258 -9.499 8.298 187 HG23 VAL 22 2HG2 VAL 22 7.816 -10.943 7.454 188 H ALA 23 HN ALA 23 4.672 -11.303 4.741 189 HA ALA 23 HA ALA 23 3.152 -9.548 3.315 190 HB1 ALA 23 1HB ALA 23 3.136 -12.545 3.377 191 HB2 ALA 23 2HB ALA 23 2.096 -11.643 2.274 192 HB3 ALA 23 3HB ALA 23 3.848 -11.463 2.181 193 H ARG 24 HN ARG 24 1.941 -11.964 5.624 194 HA ARG 24 HA ARG 24 -0.792 -11.376 5.294 195 HB2 ARG 24 2HB ARG 24 0.070 -13.434 6.370 196 HB3 ARG 24 3HB ARG 24 0.603 -12.472 7.742 197 HG2 ARG 24 2HG ARG 24 -1.922 -11.739 7.787 198 HG3 ARG 24 3HG ARG 24 -2.141 -13.267 6.932 199 HD2 ARG 24 2HD ARG 24 -0.446 -13.256 9.373 200 HD3 ARG 24 3HD ARG 24 -2.192 -13.119 9.576 201 HE ARG 24 HE ARG 24 -1.359 -15.274 7.853 202 HH11 ARG 24 2HH1 ARG 24 -2.063 -14.296 11.119 203 HH12 ARG 24 1HH1 ARG 24 -2.401 -15.905 11.667 204 HH21 ARG 24 2HH2 ARG 24 -1.801 -17.397 8.562 205 HH22 ARG 24 1HH2 ARG 24 -2.250 -17.668 10.212 206 H ARG 25 HN ARG 25 1.594 -10.208 7.652 207 HA ARG 25 HA ARG 25 -0.065 -8.651 9.231 208 HB2 ARG 25 2HB ARG 25 2.143 -8.935 9.987 209 HB3 ARG 25 3HB ARG 25 2.829 -8.386 8.463 210 HG2 ARG 25 2HG ARG 25 2.170 -6.117 8.930 211 HG3 ARG 25 3HG ARG 25 1.333 -6.629 10.397 212 HD2 ARG 25 2HD ARG 25 4.296 -6.822 9.866 213 HD3 ARG 25 3HD ARG 25 3.500 -5.669 10.937 214 HE ARG 25 HE ARG 25 3.254 -7.333 12.517 215 HH11 ARG 25 2HH1 ARG 25 4.383 -8.683 9.514 216 HH12 ARG 25 1HH1 ARG 25 4.766 -10.227 10.201 217 HH21 ARG 25 2HH2 ARG 25 3.754 -9.361 13.434 218 HH22 ARG 25 1HH2 ARG 25 4.407 -10.611 12.430 219 H ILE 26 HN ILE 26 1.528 -7.830 6.180 220 HA ILE 26 HA ILE 26 0.794 -5.112 6.119 221 HB ILE 26 HB ILE 26 1.366 -7.002 3.834 222 HG12 ILE 26 2HG1 ILE 26 3.123 -4.915 5.140 223 HG13 ILE 26 3HG1 ILE 26 3.207 -6.640 5.480 224 HG21 ILE 26 1HG2 ILE 26 1.979 -4.484 2.954 225 HG22 ILE 26 2HG2 ILE 26 0.513 -5.378 2.555 226 HG23 ILE 26 3HG2 ILE 26 0.502 -4.214 3.880 227 HD11 ILE 26 3HD1 ILE 26 3.413 -5.907 2.645 228 HD12 ILE 26 1HD1 ILE 26 4.742 -5.372 3.672 229 HD13 ILE 26 2HD1 ILE 26 4.326 -7.084 3.589 230 H LEU 27 HN LEU 27 -0.609 -7.803 4.235 231 HA LEU 27 HA LEU 27 -2.781 -6.486 3.186 232 HB2 LEU 27 2HB LEU 27 -2.560 -9.346 4.104 233 HB3 LEU 27 3HB LEU 27 -3.900 -8.722 3.144 234 HG LEU 27 HG LEU 27 -1.034 -8.657 2.217 235 HD11 LEU 27 1HD1 LEU 27 -1.467 -10.639 0.945 236 HD12 LEU 27 2HD1 LEU 27 -3.137 -10.693 1.507 237 HD13 LEU 27 3HD1 LEU 27 -1.817 -10.978 2.640 238 HD21 LEU 27 3HD2 LEU 27 -3.700 -8.104 0.963 239 HD22 LEU 27 1HD2 LEU 27 -2.310 -8.573 -0.017 240 HD23 LEU 27 2HD2 LEU 27 -2.242 -7.110 0.966 241 H ARG 28 HN ARG 28 -2.535 -8.100 6.332 242 HA ARG 28 HA ARG 28 -5.213 -7.700 7.115 243 HB2 ARG 28 2HB ARG 28 -2.668 -8.380 8.505 244 HB3 ARG 28 3HB ARG 28 -4.015 -7.826 9.491 245 HG2 ARG 28 2HG ARG 28 -5.398 -9.623 8.724 246 HG3 ARG 28 3HG ARG 28 -4.179 -10.117 7.548 247 HD2 ARG 28 2HD ARG 28 -3.919 -11.616 9.326 248 HD3 ARG 28 3HD ARG 28 -2.630 -10.435 9.552 249 HE ARG 28 HE ARG 28 -5.049 -9.833 10.993 250 HH11 ARG 28 2HH1 ARG 28 -2.001 -11.514 11.057 251 HH12 ARG 28 1HH1 ARG 28 -1.911 -11.553 12.787 252 HH21 ARG 28 2HH2 ARG 28 -4.941 -9.878 13.271 253 HH22 ARG 28 1HH2 ARG 28 -3.584 -10.623 14.045 254 H PHE 29 HN PHE 29 -2.269 -5.808 7.706 255 HA PHE 29 HA PHE 29 -3.342 -3.866 9.381 256 HB2 PHE 29 2HB PHE 29 -1.007 -3.845 9.175 257 HB3 PHE 29 3HB PHE 29 -1.069 -3.841 7.415 258 HD1 PHE 29 1HD PHE 29 -1.615 -1.775 10.426 259 HD2 PHE 29 2HD PHE 29 -1.117 -1.825 6.199 260 HE1 PHE 29 1HE PHE 29 -1.371 0.673 10.429 261 HE2 PHE 29 2HE PHE 29 -0.872 0.623 6.196 262 HZ PHE 29 HZ PHE 29 -0.998 1.876 8.313 263 H LEU 30 HN LEU 30 -3.500 -4.191 5.897 264 HA LEU 30 HA LEU 30 -4.738 -1.581 5.579 265 HB2 LEU 30 2HB LEU 30 -4.072 -3.770 3.622 266 HB3 LEU 30 3HB LEU 30 -4.866 -2.263 3.172 267 HG LEU 30 HG LEU 30 -2.235 -2.139 4.571 268 HD11 LEU 30 1HD1 LEU 30 -1.357 -2.087 2.080 269 HD12 LEU 30 2HD1 LEU 30 -2.715 -3.184 1.833 270 HD13 LEU 30 3HD1 LEU 30 -1.454 -3.590 2.998 271 HD21 LEU 30 3HD2 LEU 30 -4.012 -0.371 3.161 272 HD22 LEU 30 1HD2 LEU 30 -2.414 -0.366 2.415 273 HD23 LEU 30 2HD2 LEU 30 -2.588 0.009 4.130 274 H ARG 31 HN ARG 31 -5.650 -4.903 5.890 275 HA ARG 31 HA ARG 31 -8.358 -4.412 4.936 276 HB2 ARG 31 2HB ARG 31 -6.916 -6.881 5.890 277 HB3 ARG 31 3HB ARG 31 -8.646 -6.867 5.575 278 HG2 ARG 31 2HG ARG 31 -8.368 -6.627 3.301 279 HG3 ARG 31 3HG ARG 31 -6.757 -5.927 3.467 280 HD2 ARG 31 2HD ARG 31 -6.653 -8.197 2.570 281 HD3 ARG 31 3HD ARG 31 -5.874 -8.094 4.148 282 HE ARG 31 HE ARG 31 -7.508 -9.466 5.022 283 HH11 ARG 31 2HH1 ARG 31 -8.378 -8.473 1.801 284 HH12 ARG 31 1HH1 ARG 31 -9.685 -9.603 1.666 285 HH21 ARG 31 2HH2 ARG 31 -9.226 -10.957 4.856 286 HH22 ARG 31 1HH2 ARG 31 -10.167 -11.014 3.404 287 H GLU 32 HN GLU 32 -6.665 -4.042 7.779 288 HA GLU 32 HA GLU 32 -9.093 -4.405 9.409 289 HB2 GLU 32 2HB GLU 32 -6.178 -4.674 10.092 290 HB3 GLU 32 3HB GLU 32 -7.381 -4.390 11.342 291 HG2 GLU 32 2HG GLU 32 -7.058 -6.766 9.554 292 HG3 GLU 32 3HG GLU 32 -7.097 -6.699 11.315 293 H ARG 33 HN ARG 33 -6.081 -2.516 9.679 294 HA ARG 33 HA ARG 33 -7.251 -0.386 11.079 295 HB2 ARG 33 2HB ARG 33 -4.806 -0.211 9.316 296 HB3 ARG 33 3HB ARG 33 -5.200 0.805 10.696 297 HG2 ARG 33 2HG ARG 33 -4.941 -2.117 11.147 298 HG3 ARG 33 3HG ARG 33 -3.472 -1.178 10.871 299 HD2 ARG 33 2HD ARG 33 -3.922 0.225 12.737 300 HD3 ARG 33 3HD ARG 33 -5.553 -0.422 12.910 301 HE ARG 33 HE ARG 33 -3.089 -1.628 13.829 302 HH11 ARG 33 2HH1 ARG 33 -6.462 -2.081 13.100 303 HH12 ARG 33 1HH1 ARG 33 -6.624 -3.486 14.101 304 HH21 ARG 33 2HH2 ARG 33 -3.289 -3.477 15.150 305 HH22 ARG 33 1HH2 ARG 33 -4.819 -4.278 15.267 306 H VAL 34 HN VAL 34 -5.931 -0.142 7.778 307 HA VAL 34 HA VAL 34 -7.246 2.201 7.083 308 HB VAL 34 HB VAL 34 -6.469 -0.035 5.205 309 HG11 VAL 34 1HG1 VAL 34 -7.995 1.924 4.444 310 HG12 VAL 34 2HG1 VAL 34 -6.509 2.874 4.513 311 HG13 VAL 34 3HG1 VAL 34 -6.610 1.467 3.453 312 HG21 VAL 34 3HG2 VAL 34 -4.884 1.818 6.788 313 HG22 VAL 34 1HG2 VAL 34 -4.387 0.382 5.892 314 HG23 VAL 34 2HG2 VAL 34 -4.538 1.931 5.063 315 H ALA 35 HN ALA 35 -8.271 -1.161 6.648 316 HA ALA 35 HA ALA 35 -10.530 -0.808 5.106 317 HB1 ALA 35 1HB ALA 35 -9.672 -3.003 5.684 318 HB2 ALA 35 2HB ALA 35 -10.137 -2.763 7.369 319 HB3 ALA 35 3HB ALA 35 -11.377 -2.878 6.120 320 H THR 36 HN THR 36 -10.326 -0.739 8.663 321 HA THR 36 HA THR 36 -13.060 -0.050 9.031 322 HB THR 36 HB THR 36 -12.455 0.412 11.360 323 HG1 THR 36 1HG THR 36 -9.782 0.059 10.429 324 HG21 THR 36 3HG2 THR 36 -11.144 -1.844 11.728 325 HG22 THR 36 1HG2 THR 36 -11.481 -2.064 10.012 326 HG23 THR 36 2HG2 THR 36 -12.810 -1.851 11.151 327 H LEU 37 HN LEU 37 -10.057 1.826 8.958 328 HA LEU 37 HA LEU 37 -10.942 4.294 9.765 329 HB2 LEU 37 2HB LEU 37 -8.959 3.527 7.642 330 HB3 LEU 37 3HB LEU 37 -9.242 5.205 8.101 331 HG LEU 37 HG LEU 37 -8.279 3.046 9.977 332 HD11 LEU 37 1HD1 LEU 37 -6.236 3.370 9.187 333 HD12 LEU 37 2HD1 LEU 37 -6.363 5.092 9.549 334 HD13 LEU 37 3HD1 LEU 37 -6.871 4.482 7.974 335 HD21 LEU 37 3HD2 LEU 37 -9.162 5.821 10.315 336 HD22 LEU 37 1HD2 LEU 37 -7.606 5.450 11.058 337 HD23 LEU 37 2HD2 LEU 37 -9.036 4.514 11.494 338 H GLU 38 HN GLU 38 -12.475 5.626 9.084 339 HA GLU 38 HA GLU 38 -14.201 5.181 6.994 340 HB2 GLU 38 2HB GLU 38 -13.408 7.704 8.422 341 HB3 GLU 38 3HB GLU 38 -14.592 7.736 7.122 342 HG2 GLU 38 2HG GLU 38 -14.886 5.903 9.474 343 HG3 GLU 38 3HG GLU 38 -15.451 7.573 9.515 344 H ASP 39 HN ASP 39 -11.171 6.980 6.971 345 HA ASP 39 HA ASP 39 -11.282 6.985 4.033 346 HB2 ASP 39 2HB ASP 39 -10.022 9.259 5.540 347 HB3 ASP 39 3HB ASP 39 -10.562 9.208 3.864 348 HA PRO 40 HA PRO 40 -7.306 5.121 4.296 349 HB2 PRO 40 2HB PRO 40 -6.371 5.742 1.823 350 HB3 PRO 40 3HB PRO 40 -7.611 4.514 2.101 351 HG2 PRO 40 2HG PRO 40 -7.925 7.358 1.220 352 HG3 PRO 40 3HG PRO 40 -8.741 5.903 0.618 353 HD2 PRO 40 2HD PRO 40 -9.914 7.617 2.355 354 HD3 PRO 40 3HD PRO 40 -10.249 5.874 2.361 355 H ARG 41 HN ARG 41 -7.817 8.426 4.233 356 HA ARG 41 HA ARG 41 -4.951 9.062 4.257 357 HB2 ARG 41 2HB ARG 41 -7.415 10.760 3.909 358 HB3 ARG 41 3HB ARG 41 -5.837 11.463 4.235 359 HG2 ARG 41 2HG ARG 41 -5.050 10.111 2.191 360 HG3 ARG 41 3HG ARG 41 -6.769 9.972 1.816 361 HD2 ARG 41 2HD ARG 41 -5.291 12.564 2.252 362 HD3 ARG 41 3HD ARG 41 -5.684 11.876 0.677 363 HE ARG 41 HE ARG 41 -7.990 12.196 2.332 364 HH11 ARG 41 2HH1 ARG 41 -5.802 13.861 0.196 365 HH12 ARG 41 1HH1 ARG 41 -6.955 15.074 -0.251 366 HH21 ARG 41 2HH2 ARG 41 -9.517 13.789 1.751 367 HH22 ARG 41 1HH2 ARG 41 -9.067 15.033 0.635 368 H SER 42 HN SER 42 -5.727 7.683 6.456 369 HA SER 42 HA SER 42 -5.927 9.747 8.551 370 HB2 SER 42 2HB SER 42 -7.864 8.336 8.676 371 HB3 SER 42 3HB SER 42 -6.882 6.877 8.551 372 HG SER 42 HG SER 42 -7.644 8.071 10.743 373 H LEU 43 HN LEU 43 -4.555 6.539 7.846 374 HA LEU 43 HA LEU 43 -2.550 6.906 9.924 375 HB2 LEU 43 2HB LEU 43 -3.343 4.628 8.146 376 HB3 LEU 43 3HB LEU 43 -1.823 4.593 9.037 377 HG LEU 43 HG LEU 43 -4.443 5.018 10.438 378 HD11 LEU 43 1HD1 LEU 43 -4.901 2.785 10.565 379 HD12 LEU 43 2HD1 LEU 43 -3.225 2.310 10.291 380 HD13 LEU 43 3HD1 LEU 43 -4.217 2.861 8.941 381 HD21 LEU 43 3HD2 LEU 43 -1.992 5.326 11.388 382 HD22 LEU 43 1HD2 LEU 43 -2.106 3.575 11.569 383 HD23 LEU 43 2HD2 LEU 43 -3.284 4.622 12.361 384 H GLY 44 HN GLY 44 -2.497 6.013 6.463 385 HA2 GLY 44 1HA GLY 44 0.199 6.264 5.987 386 HA3 GLY 44 2HA GLY 44 -1.038 6.612 4.789 387 H GLU 45 HN GLU 45 1.105 8.032 4.421 388 HA GLU 45 HA GLU 45 0.486 10.673 5.571 389 HB2 GLU 45 2HB GLU 45 2.850 11.236 5.488 390 HB3 GLU 45 3HB GLU 45 2.605 9.795 6.465 391 HG2 GLU 45 2HG GLU 45 3.243 8.429 4.482 392 HG3 GLU 45 3HG GLU 45 3.654 9.928 3.650 393 HA PRO 46 HA PRO 46 -0.064 12.038 1.424 394 HB2 PRO 46 2HB PRO 46 0.367 14.695 1.781 395 HB3 PRO 46 3HB PRO 46 -1.102 13.878 2.327 396 HG2 PRO 46 2HG PRO 46 1.331 14.647 3.892 397 HG3 PRO 46 3HG PRO 46 -0.379 14.798 4.337 398 HD2 PRO 46 2HD PRO 46 1.192 12.792 5.252 399 HD3 PRO 46 3HD PRO 46 -0.546 12.583 4.952 400 H LEU 47 HN LEU 47 1.611 11.209 0.216 401 HA LEU 47 HA LEU 47 4.278 12.300 0.420 402 HB2 LEU 47 2HB LEU 47 3.552 9.871 -0.147 403 HB3 LEU 47 3HB LEU 47 3.350 10.499 -1.782 404 HG LEU 47 HG LEU 47 5.953 10.945 -0.403 405 HD11 LEU 47 1HD1 LEU 47 6.610 8.816 -0.368 406 HD12 LEU 47 2HD1 LEU 47 5.876 8.473 -1.934 407 HD13 LEU 47 3HD1 LEU 47 4.897 8.404 -0.468 408 HD21 LEU 47 3HD2 LEU 47 4.930 10.662 -3.197 409 HD22 LEU 47 1HD2 LEU 47 6.633 10.366 -2.847 410 HD23 LEU 47 2HD2 LEU 47 5.920 11.938 -2.486 411 H ARG 48 HN ARG 48 4.659 14.248 -0.409 412 HA ARG 48 HA ARG 48 3.788 14.777 -3.160 413 HB2 ARG 48 2HB ARG 48 2.414 15.923 -1.204 414 HB3 ARG 48 3HB ARG 48 3.773 17.040 -1.216 415 HG2 ARG 48 2HG ARG 48 3.263 17.858 -3.295 416 HG3 ARG 48 3HG ARG 48 2.432 16.382 -3.790 417 HD2 ARG 48 2HD ARG 48 1.428 18.437 -1.823 418 HD3 ARG 48 3HD ARG 48 0.838 18.184 -3.465 419 HE ARG 48 HE ARG 48 0.212 16.615 -1.130 420 HH11 ARG 48 2HH1 ARG 48 0.318 16.697 -4.609 421 HH12 ARG 48 1HH1 ARG 48 -0.868 15.449 -4.805 422 HH21 ARG 48 2HH2 ARG 48 -1.350 14.971 -1.375 423 HH22 ARG 48 1HH2 ARG 48 -1.817 14.469 -2.964 424 H GLY 49 HN GLY 49 5.565 15.065 -4.328 425 HA2 GLY 49 1HA GLY 49 7.564 16.978 -3.506 426 HA3 GLY 49 2HA GLY 49 8.142 15.318 -3.523 427 HA PRO 50 HA PRO 50 8.388 17.374 -7.790 428 HB2 PRO 50 2HB PRO 50 11.090 17.597 -7.926 429 HB3 PRO 50 3HB PRO 50 10.053 18.871 -7.275 430 HG2 PRO 50 2HG PRO 50 11.647 16.799 -5.818 431 HG3 PRO 50 3HG PRO 50 11.458 18.524 -5.455 432 HD2 PRO 50 2HD PRO 50 10.082 16.599 -4.139 433 HD3 PRO 50 3HD PRO 50 9.411 18.215 -4.441 434 H GLU 51 HN GLU 51 9.492 14.643 -6.128 435 HA GLU 51 HA GLU 51 10.612 13.367 -8.501 436 HB2 GLU 51 2HB GLU 51 10.565 12.730 -5.584 437 HB3 GLU 51 3HB GLU 51 10.779 11.414 -6.729 438 HG2 GLU 51 2HG GLU 51 12.491 13.830 -6.992 439 HG3 GLU 51 3HG GLU 51 12.833 12.677 -5.704 440 H LEU 52 HN LEU 52 8.006 12.821 -6.143 441 HA LEU 52 HA LEU 52 6.696 11.079 -8.124 442 HB2 LEU 52 2HB LEU 52 6.569 11.068 -5.117 443 HB3 LEU 52 3HB LEU 52 5.465 10.148 -6.137 444 HG LEU 52 HG LEU 52 7.640 9.099 -7.100 445 HD11 LEU 52 1HD1 LEU 52 9.058 9.088 -4.698 446 HD12 LEU 52 2HD1 LEU 52 8.672 10.781 -5.004 447 HD13 LEU 52 3HD1 LEU 52 9.537 9.840 -6.219 448 HD21 LEU 52 3HD2 LEU 52 7.237 8.172 -4.329 449 HD22 LEU 52 1HD2 LEU 52 7.165 7.282 -5.850 450 HD23 LEU 52 2HD2 LEU 52 5.791 8.261 -5.335 451 H GLY 53 HN GLY 53 4.561 11.417 -8.635 452 HA2 GLY 53 1HA GLY 53 3.558 14.052 -8.349 453 HA3 GLY 53 2HA GLY 53 2.682 12.683 -9.016 454 H ARG 54 HN ARG 54 1.022 11.891 -7.888 455 HA ARG 54 HA ARG 54 0.795 12.670 -5.054 456 HB2 ARG 54 2HB ARG 54 -0.815 13.911 -6.375 457 HB3 ARG 54 3HB ARG 54 -1.388 12.430 -7.130 458 HG2 ARG 54 2HG ARG 54 -2.310 11.659 -5.054 459 HG3 ARG 54 3HG ARG 54 -1.602 13.025 -4.188 460 HD2 ARG 54 2HD ARG 54 -3.003 14.570 -5.418 461 HD3 ARG 54 3HD ARG 54 -3.653 13.249 -6.387 462 HE ARG 54 HE ARG 54 -4.427 13.987 -3.720 463 HH11 ARG 54 2HH1 ARG 54 -4.297 11.406 -6.054 464 HH12 ARG 54 1HH1 ARG 54 -5.600 10.517 -5.337 465 HH21 ARG 54 2HH2 ARG 54 -6.143 12.825 -2.767 466 HH22 ARG 54 1HH2 ARG 54 -6.650 11.326 -3.468 467 H PHE 55 HN PHE 55 1.391 10.840 -4.024 468 HA PHE 55 HA PHE 55 -0.278 8.475 -4.463 469 HB2 PHE 55 2HB PHE 55 2.742 8.430 -4.293 470 HB3 PHE 55 3HB PHE 55 1.712 7.002 -4.259 471 HD1 PHE 55 1HD PHE 55 -0.179 7.282 -6.315 472 HD2 PHE 55 2HD PHE 55 3.863 8.615 -6.276 473 HE1 PHE 55 1HE PHE 55 -0.128 7.186 -8.773 474 HE2 PHE 55 2HE PHE 55 3.921 8.522 -8.734 475 HZ PHE 55 HZ PHE 55 1.923 7.808 -9.986 476 H TRP 56 HN TRP 56 -1.026 7.647 -2.619 477 HA TRP 56 HA TRP 56 -0.272 8.848 -0.118 478 HB2 TRP 56 2HB TRP 56 -2.623 8.201 -0.714 479 HB3 TRP 56 3HB TRP 56 -2.138 6.513 -0.579 480 HD1 TRP 56 1HD TRP 56 -2.693 5.488 1.688 481 HE1 TRP 56 1HE TRP 56 -3.001 6.358 4.091 482 HE3 TRP 56 3HE TRP 56 -1.628 10.427 0.906 483 HZ2 TRP 56 2HZ TRP 56 -2.817 8.813 5.472 484 HZ3 TRP 56 3HZ TRP 56 -1.716 11.970 2.821 485 HH2 TRP 56 2HH TRP 56 -2.299 11.178 5.056 486 H LYS 57 HN LYS 57 0.941 8.009 1.493 487 HA LYS 57 HA LYS 57 2.217 5.406 0.976 488 HB2 LYS 57 2HB LYS 57 3.829 7.199 0.979 489 HB3 LYS 57 3HB LYS 57 3.206 7.817 2.503 490 HG2 LYS 57 2HG LYS 57 5.057 6.713 3.238 491 HG3 LYS 57 3HG LYS 57 3.859 5.423 3.368 492 HD2 LYS 57 2HD LYS 57 5.644 4.385 2.295 493 HD3 LYS 57 3HD LYS 57 4.573 4.823 0.962 494 HE2 LYS 57 2HE LYS 57 6.544 5.599 0.121 495 HE3 LYS 57 3HE LYS 57 6.030 7.034 1.006 496 HZ1 LYS 57 3HZ LYS 57 7.611 6.739 2.591 497 HZ2 LYS 57 1HZ LYS 57 8.424 6.021 1.293 498 HZ3 LYS 57 2HZ LYS 57 7.638 5.054 2.437 499 H TYR 58 HN TYR 58 2.225 3.840 2.525 500 HA TYR 58 HA TYR 58 0.698 4.419 4.978 501 HB2 TYR 58 2HB TYR 58 0.748 2.005 3.192 502 HB3 TYR 58 3HB TYR 58 0.278 1.854 4.881 503 HD1 TYR 58 1HD TYR 58 -1.492 3.780 5.610 504 HD2 TYR 58 2HD TYR 58 -0.972 2.227 1.683 505 HE1 TYR 58 1HE TYR 58 -3.781 4.474 5.039 506 HE2 TYR 58 2HE TYR 58 -3.260 2.917 1.101 507 HH TYR 58 HH TYR 58 -5.370 4.485 3.491 508 H ARG 59 HN ARG 59 1.483 3.727 6.923 509 HA ARG 59 HA ARG 59 4.249 2.741 6.901 510 HB2 ARG 59 2HB ARG 59 3.338 4.921 8.136 511 HB3 ARG 59 3HB ARG 59 2.974 3.748 9.395 512 HG2 ARG 59 2HG ARG 59 5.690 3.695 8.205 513 HG3 ARG 59 3HG ARG 59 5.283 5.030 9.286 514 HD2 ARG 59 2HD ARG 59 4.947 2.111 9.962 515 HD3 ARG 59 3HD ARG 59 6.333 3.093 10.435 516 HE ARG 59 HE ARG 59 4.295 4.512 11.429 517 HH11 ARG 59 2HH1 ARG 59 5.046 1.117 11.600 518 HH12 ARG 59 1HH1 ARG 59 4.296 0.896 13.146 519 HH21 ARG 59 2HH2 ARG 59 3.304 4.233 13.464 520 HH22 ARG 59 1HH2 ARG 59 3.304 2.668 14.205 521 H VAL 60 HN VAL 60 4.599 0.687 7.392 522 HA VAL 60 HA VAL 60 2.773 -0.660 9.264 523 HB VAL 60 HB VAL 60 3.819 -1.808 6.673 524 HG11 VAL 60 1HG1 VAL 60 3.373 -3.167 9.049 525 HG12 VAL 60 2HG1 VAL 60 1.900 -3.431 8.113 526 HG13 VAL 60 3HG1 VAL 60 3.468 -3.872 7.435 527 HG21 VAL 60 3HG2 VAL 60 1.165 -0.822 7.602 528 HG22 VAL 60 1HG2 VAL 60 1.957 -0.627 6.038 529 HG23 VAL 60 2HG2 VAL 60 1.223 -2.172 6.469 530 H GLY 61 HN GLY 61 4.315 -0.406 10.916 531 HA2 GLY 61 1HA GLY 61 6.112 -1.019 12.206 532 HA3 GLY 61 2HA GLY 61 6.094 -2.517 11.288 533 H ASP 62 HN ASP 62 7.895 -2.972 10.226 534 HA ASP 62 HA ASP 62 9.770 -0.784 9.655 535 HB2 ASP 62 2HB ASP 62 10.114 -3.713 10.192 536 HB3 ASP 62 3HB ASP 62 11.349 -2.842 9.287 537 H TYR 63 HN TYR 63 7.564 -1.120 7.947 538 HA TYR 63 HA TYR 63 8.962 -1.605 5.448 539 HB2 TYR 63 2HB TYR 63 6.450 -3.109 6.206 540 HB3 TYR 63 3HB TYR 63 7.116 -3.044 4.578 541 HD1 TYR 63 1HD TYR 63 7.881 -4.126 8.048 542 HD2 TYR 63 2HD TYR 63 8.802 -4.537 3.914 543 HE1 TYR 63 1HE TYR 63 9.315 -6.056 8.565 544 HE2 TYR 63 2HE TYR 63 10.237 -6.469 4.420 545 HH TYR 63 HH TYR 63 10.118 -8.211 7.047 546 H ARG 64 HN ARG 64 8.191 -0.396 3.764 547 HA ARG 64 HA ARG 64 5.983 1.440 4.414 548 HB2 ARG 64 2HB ARG 64 8.301 1.804 2.506 549 HB3 ARG 64 3HB ARG 64 7.006 2.968 2.755 550 HG2 ARG 64 2HG ARG 64 8.545 2.067 5.128 551 HG3 ARG 64 3HG ARG 64 9.325 3.171 3.994 552 HD2 ARG 64 2HD ARG 64 7.080 4.498 4.211 553 HD3 ARG 64 3HD ARG 64 6.925 3.596 5.717 554 HE ARG 64 HE ARG 64 8.815 5.707 5.132 555 HH11 ARG 64 2HH1 ARG 64 7.956 3.058 7.220 556 HH12 ARG 64 1HH1 ARG 64 8.897 3.634 8.555 557 HH21 ARG 64 2HH2 ARG 64 10.059 6.476 6.883 558 HH22 ARG 64 1HH2 ARG 64 10.092 5.579 8.363 559 H LEU 65 HN LEU 65 4.311 1.732 2.995 560 HA LEU 65 HA LEU 65 4.325 0.083 0.557 561 HB2 LEU 65 2HB LEU 65 1.851 0.547 2.185 562 HB3 LEU 65 3HB LEU 65 2.137 -0.661 0.935 563 HG LEU 65 HG LEU 65 3.488 -0.691 3.629 564 HD11 LEU 65 1HD1 LEU 65 0.877 -0.958 3.470 565 HD12 LEU 65 2HD1 LEU 65 1.843 -2.022 4.492 566 HD13 LEU 65 3HD1 LEU 65 1.302 -2.575 2.907 567 HD21 LEU 65 3HD2 LEU 65 3.406 -2.523 1.267 568 HD22 LEU 65 1HD2 LEU 65 3.662 -3.172 2.887 569 HD23 LEU 65 2HD2 LEU 65 4.788 -1.988 2.224 570 H ILE 66 HN ILE 66 3.867 1.165 -1.243 571 HA ILE 66 HA ILE 66 2.698 3.852 -0.988 572 HB ILE 66 HB ILE 66 4.370 2.687 -3.217 573 HG12 ILE 66 2HG1 ILE 66 5.937 4.562 -2.451 574 HG13 ILE 66 3HG1 ILE 66 4.942 4.652 -1.002 575 HG21 ILE 66 1HG2 ILE 66 2.553 4.372 -3.837 576 HG22 ILE 66 2HG2 ILE 66 3.522 5.553 -2.958 577 HG23 ILE 66 3HG2 ILE 66 4.200 4.724 -4.359 578 HD11 ILE 66 3HD1 ILE 66 7.077 2.870 -1.614 579 HD12 ILE 66 1HD1 ILE 66 6.170 3.048 -0.113 580 HD13 ILE 66 2HD1 ILE 66 5.598 1.943 -1.363 581 H CYS 67 HN CYS 67 0.559 3.748 -1.282 582 HA CYS 67 HA CYS 67 -0.458 2.122 -3.517 583 HB2 CYS 67 2HB CYS 67 -2.067 3.114 -1.163 584 HB3 CYS 67 3HB CYS 67 -2.533 1.902 -2.350 585 HG CYS 67 HG CYS 67 0.174 0.752 -1.057 586 H HIS 68 HN HIS 68 -2.566 3.022 -4.435 587 HA HIS 68 HA HIS 68 -2.317 5.944 -4.729 588 HB2 HIS 68 2HB HIS 68 -1.680 4.525 -6.742 589 HB3 HIS 68 3HB HIS 68 -3.379 4.072 -6.844 590 HD2 HIS 68 2HD HIS 68 -2.596 7.782 -6.023 591 HE1 HIS 68 1HE HIS 68 -3.871 7.563 -10.063 592 HE2 HIS 68 2HE HIS 68 -3.214 9.087 -8.169 593 H ILE 69 HN ILE 69 -3.922 6.848 -3.612 594 HA ILE 69 HA ILE 69 -6.432 5.532 -3.170 595 HB ILE 69 HB ILE 69 -5.591 8.369 -2.564 596 HG12 ILE 69 2HG1 ILE 69 -5.828 5.983 -0.720 597 HG13 ILE 69 3HG1 ILE 69 -4.311 6.559 -1.402 598 HG21 ILE 69 1HG2 ILE 69 -7.646 7.543 -0.843 599 HG22 ILE 69 2HG2 ILE 69 -7.726 8.768 -2.108 600 HG23 ILE 69 3HG2 ILE 69 -8.160 7.098 -2.470 601 HD11 ILE 69 3HD1 ILE 69 -4.633 7.325 0.888 602 HD12 ILE 69 1HD1 ILE 69 -4.578 8.675 -0.245 603 HD13 ILE 69 2HD1 ILE 69 -6.125 8.135 0.409 604 H GLN 70 HN GLN 70 -8.030 5.456 -4.592 605 HA GLN 70 HA GLN 70 -8.238 7.578 -6.613 606 HB2 GLN 70 2HB GLN 70 -9.375 4.778 -6.592 607 HB3 GLN 70 3HB GLN 70 -9.633 5.955 -7.873 608 HG2 GLN 70 2HG GLN 70 -7.464 5.812 -8.630 609 HG3 GLN 70 3HG GLN 70 -6.854 5.217 -7.087 610 HE21 GLN 70 1HE2 GLN 70 -5.818 3.728 -8.722 611 HE22 GLN 70 2HE2 GLN 70 -6.669 2.270 -9.088 612 H ASP 71 HN ASP 71 -9.342 9.086 -5.332 613 HA ASP 71 HA ASP 71 -11.574 8.630 -3.750 614 HB2 ASP 71 2HB ASP 71 -10.666 10.762 -3.528 615 HB3 ASP 71 3HB ASP 71 -10.580 11.016 -5.269 616 H ARG 72 HN ARG 72 -11.352 9.155 -7.229 617 HA ARG 72 HA ARG 72 -13.959 9.591 -7.929 618 HB2 ARG 72 2HB ARG 72 -13.292 7.993 -9.954 619 HB3 ARG 72 3HB ARG 72 -12.625 9.611 -9.780 620 HG2 ARG 72 2HG ARG 72 -10.579 8.793 -8.954 621 HG3 ARG 72 3HG ARG 72 -11.247 7.183 -8.679 622 HD2 ARG 72 2HD ARG 72 -11.660 7.169 -11.226 623 HD3 ARG 72 3HD ARG 72 -10.513 8.508 -11.265 624 HE ARG 72 HE ARG 72 -9.301 6.499 -9.813 625 HH11 ARG 72 2HH1 ARG 72 -10.546 6.917 -13.037 626 HH12 ARG 72 1HH1 ARG 72 -9.428 5.804 -13.753 627 HH21 ARG 72 2HH2 ARG 72 -7.823 5.033 -10.744 628 HH22 ARG 72 1HH2 ARG 72 -7.880 4.733 -12.448 629 H GLU 73 HN GLU 73 -12.431 6.420 -7.404 630 HA GLU 73 HA GLU 73 -15.129 5.255 -7.194 631 HB2 GLU 73 2HB GLU 73 -12.533 4.095 -8.173 632 HB3 GLU 73 3HB GLU 73 -13.853 3.061 -7.645 633 HG2 GLU 73 2HG GLU 73 -15.313 4.165 -9.319 634 HG3 GLU 73 3HG GLU 73 -13.904 5.049 -9.901 635 H ALA 74 HN ALA 74 -13.331 6.562 -5.141 636 HA ALA 74 HA ALA 74 -12.446 6.147 -3.051 637 HB1 ALA 74 1HB ALA 74 -15.119 4.767 -3.061 638 HB2 ALA 74 2HB ALA 74 -14.160 4.989 -1.597 639 HB3 ALA 74 3HB ALA 74 -14.730 6.393 -2.498 640 H THR 75 HN THR 75 -11.291 4.389 -4.901 641 HA THR 75 HA THR 75 -11.011 1.943 -3.278 642 HB THR 75 HB THR 75 -10.906 2.238 -6.281 643 HG1 THR 75 1HG THR 75 -12.584 0.706 -6.162 644 HG21 THR 75 3HG2 THR 75 -10.017 -0.059 -4.541 645 HG22 THR 75 1HG2 THR 75 -9.063 0.823 -5.733 646 HG23 THR 75 2HG2 THR 75 -10.381 -0.224 -6.258 647 H VAL 76 HN VAL 76 -8.980 1.274 -2.771 648 HA VAL 76 HA VAL 76 -6.776 3.034 -3.616 649 HB VAL 76 HB VAL 76 -6.974 1.294 -1.153 650 HG11 VAL 76 1HG1 VAL 76 -4.932 2.973 -0.660 651 HG12 VAL 76 2HG1 VAL 76 -4.725 1.364 -1.356 652 HG13 VAL 76 3HG1 VAL 76 -4.756 2.783 -2.404 653 HG21 VAL 76 3HG2 VAL 76 -7.673 4.095 -1.716 654 HG22 VAL 76 1HG2 VAL 76 -8.258 3.007 -0.457 655 HG23 VAL 76 2HG2 VAL 76 -6.715 3.836 -0.258 656 H LEU 77 HN LEU 77 -5.266 2.215 -4.901 657 HA LEU 77 HA LEU 77 -4.991 -0.715 -5.050 658 HB2 LEU 77 2HB LEU 77 -5.876 0.161 -7.104 659 HB3 LEU 77 3HB LEU 77 -4.609 1.383 -7.177 660 HG LEU 77 HG LEU 77 -3.022 -0.698 -7.288 661 HD11 LEU 77 1HD1 LEU 77 -5.494 -1.877 -8.525 662 HD12 LEU 77 2HD1 LEU 77 -4.973 -2.257 -6.884 663 HD13 LEU 77 3HD1 LEU 77 -3.930 -2.647 -8.252 664 HD21 LEU 77 3HD2 LEU 77 -4.712 0.063 -9.666 665 HD22 LEU 77 1HD2 LEU 77 -3.068 -0.575 -9.684 666 HD23 LEU 77 2HD2 LEU 77 -3.381 1.034 -9.034 667 H VAL 78 HN VAL 78 -3.160 -1.451 -4.224 668 HA VAL 78 HA VAL 78 -1.014 0.180 -3.420 669 HB VAL 78 HB VAL 78 -0.939 -2.799 -3.912 670 HG11 VAL 78 1HG1 VAL 78 0.962 -2.887 -2.581 671 HG12 VAL 78 2HG1 VAL 78 1.220 -1.429 -3.541 672 HG13 VAL 78 3HG1 VAL 78 0.661 -1.300 -1.873 673 HG21 VAL 78 3HG2 VAL 78 -2.641 -2.712 -2.399 674 HG22 VAL 78 1HG2 VAL 78 -1.277 -2.643 -1.283 675 HG23 VAL 78 2HG2 VAL 78 -2.121 -1.162 -1.736 676 H LEU 79 HN LEU 79 0.733 0.911 -4.455 677 HA LEU 79 HA LEU 79 1.098 0.158 -7.253 678 HB2 LEU 79 2HB LEU 79 1.882 2.474 -5.562 679 HB3 LEU 79 3HB LEU 79 2.884 2.090 -6.961 680 HG LEU 79 HG LEU 79 -0.080 2.616 -7.116 681 HD11 LEU 79 1HD1 LEU 79 0.288 4.835 -7.503 682 HD12 LEU 79 2HD1 LEU 79 1.942 4.580 -8.057 683 HD13 LEU 79 3HD1 LEU 79 1.571 4.517 -6.334 684 HD21 LEU 79 3HD2 LEU 79 1.001 1.261 -8.924 685 HD22 LEU 79 1HD2 LEU 79 2.016 2.660 -9.278 686 HD23 LEU 79 2HD2 LEU 79 0.266 2.770 -9.469 687 H ARG 80 HN ARG 80 3.117 0.617 -4.349 688 HA ARG 80 HA ARG 80 4.823 -1.580 -5.279 689 HB2 ARG 80 2HB ARG 80 5.765 1.148 -4.393 690 HB3 ARG 80 3HB ARG 80 6.821 -0.255 -4.485 691 HG2 ARG 80 2HG ARG 80 5.259 0.800 -6.828 692 HG3 ARG 80 3HG ARG 80 6.913 1.287 -6.452 693 HD2 ARG 80 2HD ARG 80 6.265 -1.616 -6.650 694 HD3 ARG 80 3HD ARG 80 6.427 -0.674 -8.132 695 HE ARG 80 HE ARG 80 8.696 -0.421 -7.706 696 HH11 ARG 80 2HH1 ARG 80 7.102 -2.033 -5.064 697 HH12 ARG 80 1HH1 ARG 80 8.578 -2.556 -4.322 698 HH21 ARG 80 2HH2 ARG 80 10.645 -1.103 -6.739 699 HH22 ARG 80 1HH2 ARG 80 10.593 -2.026 -5.275 700 H VAL 81 HN VAL 81 6.232 -2.435 -3.543 701 HA VAL 81 HA VAL 81 5.419 -1.826 -0.818 702 HB VAL 81 HB VAL 81 4.982 -4.542 -2.060 703 HG11 VAL 81 1HG1 VAL 81 4.120 -4.488 0.632 704 HG12 VAL 81 2HG1 VAL 81 5.394 -5.474 -0.088 705 HG13 VAL 81 3HG1 VAL 81 5.781 -3.897 0.599 706 HG21 VAL 81 3HG2 VAL 81 3.162 -2.493 -0.819 707 HG22 VAL 81 1HG2 VAL 81 3.099 -3.172 -2.446 708 HG23 VAL 81 2HG2 VAL 81 2.682 -4.174 -1.055 709 H GLY 82 HN GLY 82 7.271 -1.622 0.246 710 HA2 GLY 82 1HA GLY 82 9.248 -3.737 0.143 711 HA3 GLY 82 2HA GLY 82 9.794 -2.197 -0.503 712 H HIS 83 HN HIS 83 10.919 -3.524 1.740 713 HA HIS 83 HA HIS 83 10.090 -2.793 4.241 714 HB2 HIS 83 2HB HIS 83 12.075 -4.181 3.809 715 HB3 HIS 83 3HB HIS 83 12.941 -2.762 3.228 716 HD2 HIS 83 2HD HIS 83 11.932 -4.448 6.569 717 HE1 HIS 83 1HE HIS 83 14.203 -0.982 7.477 718 HE2 HIS 83 2HE HIS 83 13.213 -3.115 8.378 719 H ALA 84 HN ALA 84 10.816 -1.069 5.686 720 HA ALA 84 HA ALA 84 10.522 1.509 4.415 721 HB1 ALA 84 1HB ALA 84 10.220 2.393 6.590 722 HB2 ALA 84 2HB ALA 84 9.392 0.836 6.567 723 HB3 ALA 84 3HB ALA 84 10.968 0.984 7.344 724 H ARG 85 HN ARG 85 12.930 0.183 3.726 725 HA ARG 85 HA ARG 85 14.901 1.999 4.950 726 HB2 ARG 85 2HB ARG 85 15.411 -0.212 5.728 727 HB3 ARG 85 3HB ARG 85 15.254 -0.878 4.108 728 HG2 ARG 85 2HG ARG 85 17.565 -0.757 4.577 729 HG3 ARG 85 3HG ARG 85 17.211 0.549 3.443 730 HD2 ARG 85 2HD ARG 85 17.146 1.072 6.384 731 HD3 ARG 85 3HD ARG 85 18.694 0.997 5.544 732 HE ARG 85 HE ARG 85 17.269 2.712 4.025 733 HH11 ARG 85 2HH1 ARG 85 17.924 2.544 7.440 734 HH12 ARG 85 1HH1 ARG 85 17.850 4.260 7.672 735 HH21 ARG 85 2HH2 ARG 85 17.168 4.972 4.317 736 HH22 ARG 85 1HH2 ARG 85 17.419 5.640 5.895 737 H ASP 86 HN ASP 86 14.562 -0.150 2.119 738 HA ASP 86 HA ASP 86 16.270 1.348 0.459 739 HB2 ASP 86 2HB ASP 86 14.132 -0.697 -0.102 740 HB3 ASP 86 3HB ASP 86 15.022 0.084 -1.406 741 H VAL 87 HN VAL 87 12.716 1.242 0.635 742 HA VAL 87 HA VAL 87 12.151 3.086 -1.363 743 HB VAL 87 HB VAL 87 10.625 2.625 1.204 744 HG11 VAL 87 1HG1 VAL 87 9.502 3.678 -1.375 745 HG12 VAL 87 2HG1 VAL 87 8.774 3.689 0.232 746 HG13 VAL 87 3HG1 VAL 87 10.137 4.750 -0.127 747 HG21 VAL 87 3HG2 VAL 87 9.424 0.950 0.102 748 HG22 VAL 87 1HG2 VAL 87 9.986 1.466 -1.488 749 HG23 VAL 87 2HG2 VAL 87 11.095 0.659 -0.380 750 H TYR 88 HN TYR 88 12.696 3.650 2.103 751 HA TYR 88 HA TYR 88 12.637 6.533 1.667 752 HB2 TYR 88 2HB TYR 88 11.611 5.176 3.687 753 HB3 TYR 88 3HB TYR 88 13.245 5.311 4.326 754 HD1 TYR 88 2HD TYR 88 10.644 7.490 2.751 755 HD2 TYR 88 1HD TYR 88 13.705 7.116 5.683 756 HE1 TYR 88 2HE TYR 88 10.132 9.754 3.565 757 HE2 TYR 88 1HE TYR 88 13.201 9.379 6.505 758 HH TYR 88 HH TYR 88 10.468 11.219 5.263 759 H ARG 89 HN ARG 89 14.445 7.488 1.028 760 HA ARG 89 HA ARG 89 17.011 6.483 2.073 761 HB2 ARG 89 2HB ARG 89 18.043 7.415 0.017 762 HB3 ARG 89 3HB ARG 89 16.889 6.130 -0.313 763 HG2 ARG 89 2HG ARG 89 15.199 8.041 -0.674 764 HG3 ARG 89 3HG ARG 89 16.629 9.067 -0.806 765 HD2 ARG 89 2HD ARG 89 17.379 7.987 -2.722 766 HD3 ARG 89 3HD ARG 89 16.419 6.544 -2.401 767 HE ARG 89 HE ARG 89 14.734 8.774 -2.834 768 HH11 ARG 89 2HH1 ARG 89 16.811 6.541 -4.514 769 HH12 ARG 89 1HH1 ARG 89 15.951 6.666 -6.013 770 HH21 ARG 89 2HH2 ARG 89 13.594 8.948 -4.803 771 HH22 ARG 89 1HH2 ARG 89 14.122 8.036 -6.176 Start of MODEL 8 1 H1 MET 1 HN MET 1 -17.778 -0.923 6.567 2 HA MET 1 HA MET 1 -18.314 -0.178 3.777 3 HB2 MET 1 2HB MET 1 -19.128 1.980 4.390 4 HB3 MET 1 3HB MET 1 -20.035 0.801 5.327 5 HG2 MET 1 2HG MET 1 -18.963 1.358 7.307 6 HG3 MET 1 3HG MET 1 -17.609 2.116 6.472 7 HE1 MET 1 3HE MET 1 -19.353 4.993 8.534 8 HE2 MET 1 1HE MET 1 -18.799 3.358 8.894 9 HE3 MET 1 2HE MET 1 -17.756 4.466 8.002 10 H GLY 2 HN GLY 2 -16.845 1.285 2.856 11 HA2 GLY 2 1HA GLY 2 -14.927 2.847 3.882 12 HA3 GLY 2 2HA GLY 2 -14.231 1.251 4.122 13 H TYR 3 HN TYR 3 -12.507 1.899 2.721 14 HA TYR 3 HA TYR 3 -13.196 2.286 -0.092 15 HB2 TYR 3 2HB TYR 3 -10.626 2.563 1.460 16 HB3 TYR 3 3HB TYR 3 -10.668 2.610 -0.299 17 HD1 TYR 3 2HD TYR 3 -12.760 4.124 2.411 18 HD2 TYR 3 1HD TYR 3 -10.445 4.755 -1.103 19 HE1 TYR 3 2HE TYR 3 -13.299 6.522 2.494 20 HE2 TYR 3 1HE TYR 3 -10.977 7.155 -1.029 21 HH TYR 3 HH TYR 3 -12.027 8.727 1.533 22 H ARG 4 HN ARG 4 -11.997 1.067 -1.742 23 HA ARG 4 HA ARG 4 -12.007 -1.755 -1.094 24 HB2 ARG 4 2HB ARG 4 -13.033 -0.871 -3.185 25 HB3 ARG 4 3HB ARG 4 -11.429 -0.402 -3.734 26 HG2 ARG 4 2HG ARG 4 -10.727 -2.646 -3.918 27 HG3 ARG 4 3HG ARG 4 -12.131 -3.233 -3.024 28 HD2 ARG 4 2HD ARG 4 -12.572 -1.701 -5.539 29 HD3 ARG 4 3HD ARG 4 -12.021 -3.372 -5.654 30 HE ARG 4 HE ARG 4 -14.247 -3.122 -3.899 31 HH11 ARG 4 2HH1 ARG 4 -13.348 -3.243 -7.260 32 HH12 ARG 4 1HH1 ARG 4 -14.878 -3.865 -7.782 33 HH21 ARG 4 2HH2 ARG 4 -16.266 -3.941 -4.574 34 HH22 ARG 4 1HH2 ARG 4 -16.538 -4.261 -6.253 35 H ILE 5 HN ILE 5 -10.266 -3.172 -1.349 36 HA ILE 5 HA ILE 5 -7.630 -1.873 -1.211 37 HB ILE 5 HB ILE 5 -8.340 -4.655 -0.284 38 HG12 ILE 5 2HG1 ILE 5 -9.586 -3.013 1.028 39 HG13 ILE 5 3HG1 ILE 5 -8.299 -3.720 1.999 40 HG21 ILE 5 1HG2 ILE 5 -5.871 -3.261 -0.641 41 HG22 ILE 5 2HG2 ILE 5 -6.116 -3.586 1.074 42 HG23 ILE 5 3HG2 ILE 5 -6.145 -4.913 -0.087 43 HD11 ILE 5 3HD1 ILE 5 -6.945 -1.748 1.702 44 HD12 ILE 5 1HD1 ILE 5 -8.153 -1.048 0.625 45 HD13 ILE 5 2HD1 ILE 5 -8.531 -1.300 2.329 46 H GLU 6 HN GLU 6 -6.702 -1.871 -3.161 47 HA GLU 6 HA GLU 6 -6.745 -4.380 -4.709 48 HB2 GLU 6 2HB GLU 6 -6.977 -1.528 -5.575 49 HB3 GLU 6 3HB GLU 6 -6.215 -2.685 -6.656 50 HG2 GLU 6 2HG GLU 6 -8.892 -3.265 -5.466 51 HG3 GLU 6 3HG GLU 6 -8.742 -2.217 -6.876 52 H PHE 7 HN PHE 7 -4.837 -4.900 -5.900 53 HA PHE 7 HA PHE 7 -2.410 -3.461 -5.095 54 HB2 PHE 7 2HB PHE 7 -3.015 -6.372 -4.691 55 HB3 PHE 7 3HB PHE 7 -1.354 -5.841 -4.933 56 HD1 PHE 7 1HD PHE 7 -4.337 -5.321 -2.791 57 HD2 PHE 7 2HD PHE 7 -0.109 -4.990 -3.159 58 HE1 PHE 7 1HE PHE 7 -4.177 -4.753 -0.403 59 HE2 PHE 7 2HE PHE 7 0.057 -4.422 -0.770 60 HZ PHE 7 HZ PHE 7 -1.978 -4.304 0.611 61 H ASP 8 HN ASP 8 -1.132 -3.032 -6.766 62 HA ASP 8 HA ASP 8 -1.764 -3.612 -9.399 63 HB2 ASP 8 2HB ASP 8 0.721 -3.050 -9.819 64 HB3 ASP 8 3HB ASP 8 -0.296 -1.814 -9.083 65 HA PRO 9 HA PRO 9 -0.387 -7.688 -10.251 66 HB2 PRO 9 2HB PRO 9 0.576 -7.435 -12.777 67 HB3 PRO 9 3HB PRO 9 -1.149 -7.382 -12.397 68 HG2 PRO 9 2HG PRO 9 0.752 -5.123 -12.890 69 HG3 PRO 9 3HG PRO 9 -0.909 -5.336 -13.475 70 HD2 PRO 9 2HD PRO 9 -0.299 -3.746 -11.369 71 HD3 PRO 9 3HD PRO 9 -1.834 -4.630 -11.485 72 H ARG 10 HN ARG 10 1.810 -5.103 -10.079 73 HA ARG 10 HA ARG 10 4.149 -6.812 -10.475 74 HB2 ARG 10 2HB ARG 10 3.864 -3.834 -10.061 75 HB3 ARG 10 3HB ARG 10 5.414 -4.657 -10.168 76 HG2 ARG 10 2HG ARG 10 5.166 -3.956 -12.323 77 HG3 ARG 10 3HG ARG 10 4.423 -5.554 -12.425 78 HD2 ARG 10 2HD ARG 10 2.240 -4.251 -11.818 79 HD3 ARG 10 3HD ARG 10 3.141 -2.857 -12.412 80 HE ARG 10 HE ARG 10 3.164 -5.092 -14.215 81 HH11 ARG 10 2HH1 ARG 10 1.409 -2.267 -13.186 82 HH12 ARG 10 1HH1 ARG 10 0.576 -2.075 -14.694 83 HH21 ARG 10 2HH2 ARG 10 2.075 -4.849 -16.205 84 HH22 ARG 10 1HH2 ARG 10 0.956 -3.545 -16.409 85 H ALA 11 HN ALA 11 2.646 -4.765 -8.001 86 HA ALA 11 HA ALA 11 4.560 -5.230 -5.983 87 HB1 ALA 11 1HB ALA 11 3.010 -4.245 -4.475 88 HB2 ALA 11 2HB ALA 11 2.843 -3.400 -6.015 89 HB3 ALA 11 3HB ALA 11 1.649 -4.607 -5.538 90 H GLU 12 HN GLU 12 1.358 -6.707 -6.519 91 HA GLU 12 HA GLU 12 1.083 -8.426 -4.492 92 HB2 GLU 12 2HB GLU 12 0.584 -8.803 -7.419 93 HB3 GLU 12 3HB GLU 12 0.316 -10.148 -6.320 94 HG2 GLU 12 2HG GLU 12 -1.201 -8.678 -5.001 95 HG3 GLU 12 3HG GLU 12 -1.024 -7.457 -6.260 96 H LYS 13 HN LYS 13 3.397 -8.795 -7.119 97 HA LYS 13 HA LYS 13 4.323 -11.361 -6.171 98 HB2 LYS 13 2HB LYS 13 5.642 -9.567 -8.210 99 HB3 LYS 13 3HB LYS 13 5.865 -11.299 -8.006 100 HG2 LYS 13 2HG LYS 13 3.205 -10.114 -8.727 101 HG3 LYS 13 3HG LYS 13 4.416 -10.527 -9.944 102 HD2 LYS 13 2HD LYS 13 3.258 -12.491 -9.903 103 HD3 LYS 13 3HD LYS 13 4.417 -12.824 -8.613 104 HE2 LYS 13 2HE LYS 13 2.434 -13.424 -7.610 105 HE3 LYS 13 3HE LYS 13 2.593 -11.748 -7.089 106 HZ1 LYS 13 3HZ LYS 13 1.170 -12.216 -9.588 107 HZ2 LYS 13 1HZ LYS 13 0.865 -11.090 -8.362 108 HZ3 LYS 13 2HZ LYS 13 0.385 -12.701 -8.170 109 H GLU 14 HN GLU 14 5.622 -8.054 -6.313 110 HA GLU 14 HA GLU 14 8.101 -8.502 -5.171 111 HB2 GLU 14 2HB GLU 14 6.271 -6.112 -4.953 112 HB3 GLU 14 3HB GLU 14 7.928 -6.116 -4.366 113 HG2 GLU 14 2HG GLU 14 7.179 -6.709 -7.215 114 HG3 GLU 14 3HG GLU 14 7.589 -5.099 -6.625 115 H LEU 15 HN LEU 15 4.999 -7.895 -3.572 116 HA LEU 15 HA LEU 15 6.119 -8.005 -0.934 117 HB2 LEU 15 2HB LEU 15 4.194 -6.695 -1.123 118 HB3 LEU 15 3HB LEU 15 3.335 -7.930 -2.042 119 HG LEU 15 HG LEU 15 4.076 -8.532 0.778 120 HD11 LEU 15 1HD1 LEU 15 3.176 -6.272 0.918 121 HD12 LEU 15 2HD1 LEU 15 2.046 -7.446 1.591 122 HD13 LEU 15 3HD1 LEU 15 1.761 -6.768 -0.011 123 HD21 LEU 15 3HD2 LEU 15 1.914 -9.712 0.682 124 HD22 LEU 15 1HD2 LEU 15 3.036 -10.250 -0.568 125 HD23 LEU 15 2HD2 LEU 15 1.709 -9.164 -0.982 126 H GLU 16 HN GLU 16 4.178 -10.207 -2.933 127 HA GLU 16 HA GLU 16 3.757 -12.266 -1.168 128 HB2 GLU 16 2HB GLU 16 4.141 -12.139 -4.122 129 HB3 GLU 16 3HB GLU 16 4.132 -13.722 -3.356 130 HG2 GLU 16 2HG GLU 16 1.940 -11.764 -2.818 131 HG3 GLU 16 3HG GLU 16 1.930 -12.750 -4.279 132 H LYS 17 HN LYS 17 6.720 -11.349 -2.756 133 HA LYS 17 HA LYS 17 8.143 -13.762 -2.214 134 HB2 LYS 17 2HB LYS 17 8.895 -11.007 -3.113 135 HB3 LYS 17 3HB LYS 17 10.155 -12.113 -2.581 136 HG2 LYS 17 2HG LYS 17 9.391 -13.745 -4.262 137 HG3 LYS 17 3HG LYS 17 8.200 -12.571 -4.826 138 HD2 LYS 17 2HD LYS 17 10.181 -10.991 -5.164 139 HD3 LYS 17 3HD LYS 17 11.199 -12.420 -4.975 140 HE2 LYS 17 2HE LYS 17 9.755 -13.472 -6.800 141 HE3 LYS 17 3HE LYS 17 9.156 -11.842 -7.101 142 HZ1 LYS 17 3HZ LYS 17 11.768 -12.993 -7.667 143 HZ2 LYS 17 1HZ LYS 17 11.761 -11.389 -7.131 144 HZ3 LYS 17 2HZ LYS 17 10.894 -11.820 -8.517 145 H LEU 18 HN LEU 18 7.611 -10.762 -0.492 146 HA LEU 18 HA LEU 18 9.637 -10.895 1.407 147 HB2 LEU 18 2HB LEU 18 6.827 -9.835 1.590 148 HB3 LEU 18 3HB LEU 18 8.014 -9.638 2.878 149 HG LEU 18 HG LEU 18 8.531 -8.641 0.092 150 HD11 LEU 18 1HD1 LEU 18 6.372 -7.771 1.376 151 HD12 LEU 18 2HD1 LEU 18 7.403 -6.700 0.428 152 HD13 LEU 18 3HD1 LEU 18 7.579 -6.768 2.181 153 HD21 LEU 18 3HD2 LEU 18 10.423 -8.855 1.661 154 HD22 LEU 18 1HD2 LEU 18 9.585 -7.786 2.786 155 HD23 LEU 18 2HD2 LEU 18 10.099 -7.180 1.211 156 H ASP 19 HN ASP 19 9.162 -11.265 3.827 157 HA ASP 19 HA ASP 19 8.847 -13.971 4.303 158 HB2 ASP 19 2HB ASP 19 9.749 -12.013 5.816 159 HB3 ASP 19 3HB ASP 19 8.103 -12.017 6.443 160 H ARG 20 HN ARG 20 7.161 -15.298 4.434 161 HA ARG 20 HA ARG 20 4.616 -14.746 3.668 162 HB2 ARG 20 2HB ARG 20 5.799 -16.854 5.405 163 HB3 ARG 20 3HB ARG 20 4.046 -16.723 5.365 164 HG2 ARG 20 2HG ARG 20 5.538 -16.806 2.791 165 HG3 ARG 20 3HG ARG 20 5.323 -18.298 3.710 166 HD2 ARG 20 2HD ARG 20 3.462 -18.313 2.349 167 HD3 ARG 20 3HD ARG 20 2.832 -17.557 3.812 168 HE ARG 20 HE ARG 20 3.776 -15.554 2.092 169 HH11 ARG 20 2HH1 ARG 20 1.215 -17.902 2.308 170 HH12 ARG 20 1HH1 ARG 20 0.101 -16.965 1.368 171 HH21 ARG 20 2HH2 ARG 20 2.318 -14.312 0.853 172 HH22 ARG 20 1HH2 ARG 20 0.729 -14.924 0.540 173 H GLU 21 HN GLU 21 5.861 -14.608 6.987 174 HA GLU 21 HA GLU 21 3.443 -13.998 8.263 175 HB2 GLU 21 2HB GLU 21 6.328 -13.576 8.942 176 HB3 GLU 21 3HB GLU 21 5.089 -12.838 9.947 177 HG2 GLU 21 2HG GLU 21 4.075 -15.173 10.108 178 HG3 GLU 21 3HG GLU 21 5.610 -15.747 9.459 179 H VAL 22 HN VAL 22 6.001 -11.839 7.057 180 HA VAL 22 HA VAL 22 4.842 -9.413 7.790 181 HB VAL 22 HB VAL 22 6.565 -9.979 5.372 182 HG11 VAL 22 1HG1 VAL 22 7.146 -7.445 6.096 183 HG12 VAL 22 2HG1 VAL 22 5.958 -7.868 4.861 184 HG13 VAL 22 3HG1 VAL 22 5.432 -7.508 6.506 185 HG21 VAL 22 3HG2 VAL 22 7.648 -8.739 7.835 186 HG22 VAL 22 1HG2 VAL 22 7.292 -10.466 7.890 187 HG23 VAL 22 2HG2 VAL 22 8.415 -9.834 6.685 188 H ALA 23 HN ALA 23 4.637 -11.112 4.663 189 HA ALA 23 HA ALA 23 3.043 -9.391 3.257 190 HB1 ALA 23 1HB ALA 23 2.191 -12.151 2.896 191 HB2 ALA 23 2HB ALA 23 2.954 -11.041 1.756 192 HB3 ALA 23 3HB ALA 23 3.944 -11.962 2.888 193 H ARG 24 HN ARG 24 1.869 -12.048 5.330 194 HA ARG 24 HA ARG 24 -0.855 -11.507 5.074 195 HB2 ARG 24 2HB ARG 24 -0.012 -13.588 6.033 196 HB3 ARG 24 3HB ARG 24 0.632 -12.711 7.414 197 HG2 ARG 24 2HG ARG 24 -1.752 -11.989 7.885 198 HG3 ARG 24 3HG ARG 24 -2.240 -13.202 6.699 199 HD2 ARG 24 2HD ARG 24 -0.375 -14.004 8.876 200 HD3 ARG 24 3HD ARG 24 -2.078 -13.773 9.270 201 HE ARG 24 HE ARG 24 -2.598 -15.659 8.048 202 HH11 ARG 24 2HH1 ARG 24 0.728 -14.773 7.527 203 HH12 ARG 24 1HH1 ARG 24 1.133 -16.253 6.723 204 HH21 ARG 24 2HH2 ARG 24 -2.077 -17.612 6.991 205 HH22 ARG 24 1HH2 ARG 24 -0.464 -17.867 6.418 206 H ARG 25 HN ARG 25 1.530 -10.242 7.353 207 HA ARG 25 HA ARG 25 -0.191 -8.879 9.071 208 HB2 ARG 25 2HB ARG 25 1.967 -8.944 9.872 209 HB3 ARG 25 3HB ARG 25 2.675 -8.588 8.303 210 HG2 ARG 25 2HG ARG 25 2.129 -6.275 8.498 211 HG3 ARG 25 3HG ARG 25 1.172 -6.572 9.951 212 HD2 ARG 25 2HD ARG 25 3.350 -7.485 10.955 213 HD3 ARG 25 3HD ARG 25 4.150 -6.684 9.604 214 HE ARG 25 HE ARG 25 2.378 -4.954 11.044 215 HH11 ARG 25 2HH1 ARG 25 5.581 -6.315 10.971 216 HH12 ARG 25 1HH1 ARG 25 6.292 -5.024 11.883 217 HH21 ARG 25 2HH2 ARG 25 3.302 -3.248 12.245 218 HH22 ARG 25 1HH2 ARG 25 4.994 -3.281 12.608 219 H ILE 26 HN ILE 26 1.387 -7.765 6.090 220 HA ILE 26 HA ILE 26 0.471 -5.127 6.130 221 HB ILE 26 HB ILE 26 1.055 -6.883 3.744 222 HG12 ILE 26 2HG1 ILE 26 2.759 -4.863 5.218 223 HG13 ILE 26 3HG1 ILE 26 2.960 -6.611 5.263 224 HG21 ILE 26 1HG2 ILE 26 1.509 -4.115 3.247 225 HG22 ILE 26 2HG2 ILE 26 0.408 -5.221 2.427 226 HG23 ILE 26 3HG2 ILE 26 -0.138 -4.323 3.843 227 HD11 ILE 26 3HD1 ILE 26 4.435 -5.109 3.707 228 HD12 ILE 26 1HD1 ILE 26 3.876 -6.695 3.177 229 HD13 ILE 26 2HD1 ILE 26 3.044 -5.238 2.631 230 H LEU 27 HN LEU 27 -0.896 -7.899 4.345 231 HA LEU 27 HA LEU 27 -3.157 -6.609 3.362 232 HB2 LEU 27 2HB LEU 27 -2.530 -9.465 3.994 233 HB3 LEU 27 3HB LEU 27 -4.143 -9.007 3.452 234 HG LEU 27 HG LEU 27 -1.702 -8.307 1.851 235 HD11 LEU 27 1HD1 LEU 27 -1.540 -10.352 0.908 236 HD12 LEU 27 2HD1 LEU 27 -3.258 -10.698 1.095 237 HD13 LEU 27 3HD1 LEU 27 -2.170 -10.873 2.471 238 HD21 LEU 27 3HD2 LEU 27 -3.751 -8.818 0.141 239 HD22 LEU 27 1HD2 LEU 27 -3.340 -7.221 0.768 240 HD23 LEU 27 2HD2 LEU 27 -4.615 -8.167 1.535 241 H ARG 28 HN ARG 28 -2.657 -8.299 6.428 242 HA ARG 28 HA ARG 28 -5.353 -8.058 7.308 243 HB2 ARG 28 2HB ARG 28 -4.002 -9.775 8.278 244 HB3 ARG 28 3HB ARG 28 -2.774 -8.616 8.768 245 HG2 ARG 28 2HG ARG 28 -4.509 -7.588 10.276 246 HG3 ARG 28 3HG ARG 28 -5.525 -8.985 9.915 247 HD2 ARG 28 2HD ARG 28 -2.731 -9.467 10.813 248 HD3 ARG 28 3HD ARG 28 -3.910 -8.936 12.011 249 HE ARG 28 HE ARG 28 -3.697 -11.524 10.886 250 HH11 ARG 28 2HH1 ARG 28 -6.040 -9.176 11.942 251 HH12 ARG 28 1HH1 ARG 28 -7.247 -10.359 12.324 252 HH21 ARG 28 2HH2 ARG 28 -5.278 -13.091 11.384 253 HH22 ARG 28 1HH2 ARG 28 -6.812 -12.585 12.007 254 H PHE 29 HN PHE 29 -2.671 -5.916 7.234 255 HA PHE 29 HA PHE 29 -3.657 -4.191 9.336 256 HB2 PHE 29 2HB PHE 29 -1.291 -4.257 9.131 257 HB3 PHE 29 3HB PHE 29 -1.361 -3.989 7.392 258 HD1 PHE 29 1HD PHE 29 -1.745 -2.411 10.691 259 HD2 PHE 29 2HD PHE 29 -1.534 -1.797 6.485 260 HE1 PHE 29 1HE PHE 29 -1.485 0.007 11.061 261 HE2 PHE 29 2HE PHE 29 -1.272 0.622 6.847 262 HZ PHE 29 HZ PHE 29 -1.246 1.527 9.138 263 H LEU 30 HN LEU 30 -3.755 -4.370 5.846 264 HA LEU 30 HA LEU 30 -4.963 -1.732 5.619 265 HB2 LEU 30 2HB LEU 30 -4.123 -3.819 3.630 266 HB3 LEU 30 3HB LEU 30 -5.078 -2.415 3.157 267 HG LEU 30 HG LEU 30 -2.528 -1.953 4.622 268 HD11 LEU 30 1HD1 LEU 30 -2.549 -3.603 2.392 269 HD12 LEU 30 2HD1 LEU 30 -1.165 -2.732 3.050 270 HD13 LEU 30 3HD1 LEU 30 -2.128 -2.011 1.760 271 HD21 LEU 30 3HD2 LEU 30 -2.730 -0.234 2.490 272 HD22 LEU 30 1HD2 LEU 30 -3.254 0.103 4.139 273 HD23 LEU 30 2HD2 LEU 30 -4.414 -0.489 2.950 274 H ARG 31 HN ARG 31 -5.913 -5.012 5.906 275 HA ARG 31 HA ARG 31 -8.565 -4.537 4.795 276 HB2 ARG 31 2HB ARG 31 -8.858 -6.826 4.770 277 HB3 ARG 31 3HB ARG 31 -7.114 -6.709 4.578 278 HG2 ARG 31 2HG ARG 31 -7.002 -6.954 7.121 279 HG3 ARG 31 3HG ARG 31 -8.683 -7.480 7.010 280 HD2 ARG 31 2HD ARG 31 -8.062 -9.288 5.535 281 HD3 ARG 31 3HD ARG 31 -6.393 -8.720 5.493 282 HE ARG 31 HE ARG 31 -7.198 -9.246 8.155 283 HH11 ARG 31 2HH1 ARG 31 -6.286 -10.838 5.197 284 HH12 ARG 31 1HH1 ARG 31 -5.679 -12.253 5.992 285 HH21 ARG 31 2HH2 ARG 31 -6.403 -11.103 9.214 286 HH22 ARG 31 1HH2 ARG 31 -5.747 -12.403 8.277 287 H GLU 32 HN GLU 32 -6.958 -4.402 7.790 288 HA GLU 32 HA GLU 32 -9.492 -4.607 9.268 289 HB2 GLU 32 2HB GLU 32 -6.623 -4.815 10.180 290 HB3 GLU 32 3HB GLU 32 -7.978 -4.704 11.294 291 HG2 GLU 32 2HG GLU 32 -8.063 -6.807 9.204 292 HG3 GLU 32 3HG GLU 32 -6.956 -7.020 10.559 293 H ARG 33 HN ARG 33 -6.472 -2.709 9.428 294 HA ARG 33 HA ARG 33 -7.645 -0.569 10.861 295 HB2 ARG 33 2HB ARG 33 -5.155 -0.479 9.151 296 HB3 ARG 33 3HB ARG 33 -5.574 0.611 10.466 297 HG2 ARG 33 2HG ARG 33 -5.314 -2.309 11.009 298 HG3 ARG 33 3HG ARG 33 -3.865 -1.315 10.843 299 HD2 ARG 33 2HD ARG 33 -4.270 -1.213 13.116 300 HD3 ARG 33 3HD ARG 33 -5.055 0.253 12.531 301 HE ARG 33 HE ARG 33 -7.065 -0.611 13.192 302 HH11 ARG 33 2HH1 ARG 33 -4.729 -3.186 13.022 303 HH12 ARG 33 1HH1 ARG 33 -5.786 -4.367 13.724 304 HH21 ARG 33 2HH2 ARG 33 -8.466 -2.156 14.117 305 HH22 ARG 33 1HH2 ARG 33 -7.911 -3.779 14.346 306 H VAL 34 HN VAL 34 -6.235 -0.344 7.600 307 HA VAL 34 HA VAL 34 -7.490 1.991 6.834 308 HB VAL 34 HB VAL 34 -6.739 -0.324 5.043 309 HG11 VAL 34 1HG1 VAL 34 -7.148 0.953 3.234 310 HG12 VAL 34 2HG1 VAL 34 -8.244 1.805 4.324 311 HG13 VAL 34 3HG1 VAL 34 -6.623 2.436 4.032 312 HG21 VAL 34 3HG2 VAL 34 -5.190 1.900 6.283 313 HG22 VAL 34 1HG2 VAL 34 -4.741 0.212 6.038 314 HG23 VAL 34 2HG2 VAL 34 -4.735 1.333 4.677 315 H ALA 35 HN ALA 35 -8.636 -1.340 6.495 316 HA ALA 35 HA ALA 35 -10.888 -0.913 4.937 317 HB1 ALA 35 1HB ALA 35 -10.697 -2.884 7.209 318 HB2 ALA 35 2HB ALA 35 -11.727 -2.992 5.780 319 HB3 ALA 35 3HB ALA 35 -9.976 -3.128 5.618 320 H THR 36 HN THR 36 -10.597 -0.788 8.479 321 HA THR 36 HA THR 36 -13.318 -0.100 8.922 322 HB THR 36 HB THR 36 -12.655 0.404 11.214 323 HG1 THR 36 1HG THR 36 -10.379 0.228 11.736 324 HG21 THR 36 3HG2 THR 36 -12.823 -1.829 11.343 325 HG22 THR 36 1HG2 THR 36 -11.060 -1.833 11.358 326 HG23 THR 36 2HG2 THR 36 -11.930 -2.070 9.842 327 H LEU 37 HN LEU 37 -10.358 1.862 9.306 328 HA LEU 37 HA LEU 37 -11.301 4.300 9.855 329 HB2 LEU 37 2HB LEU 37 -9.280 3.726 7.693 330 HB3 LEU 37 3HB LEU 37 -9.500 5.276 8.503 331 HG LEU 37 HG LEU 37 -8.723 2.777 9.987 332 HD11 LEU 37 1HD1 LEU 37 -6.568 2.977 9.424 333 HD12 LEU 37 2HD1 LEU 37 -6.622 4.739 9.453 334 HD13 LEU 37 3HD1 LEU 37 -7.173 3.864 8.024 335 HD21 LEU 37 3HD2 LEU 37 -8.531 4.091 11.796 336 HD22 LEU 37 1HD2 LEU 37 -9.603 5.174 10.908 337 HD23 LEU 37 2HD2 LEU 37 -7.860 5.437 10.875 338 H GLU 38 HN GLU 38 -12.837 5.585 9.095 339 HA GLU 38 HA GLU 38 -14.423 5.093 6.899 340 HB2 GLU 38 2HB GLU 38 -14.715 6.776 8.857 341 HB3 GLU 38 3HB GLU 38 -13.892 7.909 7.793 342 HG2 GLU 38 2HG GLU 38 -15.713 7.102 6.076 343 HG3 GLU 38 3HG GLU 38 -16.589 6.692 7.549 344 H ASP 39 HN ASP 39 -11.446 6.957 7.086 345 HA ASP 39 HA ASP 39 -11.442 7.108 4.145 346 HB2 ASP 39 2HB ASP 39 -10.379 9.225 6.028 347 HB3 ASP 39 3HB ASP 39 -10.348 9.287 4.268 348 HA PRO 40 HA PRO 40 -7.574 5.020 4.445 349 HB2 PRO 40 2HB PRO 40 -6.599 5.621 1.984 350 HB3 PRO 40 3HB PRO 40 -7.893 4.444 2.244 351 HG2 PRO 40 2HG PRO 40 -8.079 7.306 1.386 352 HG3 PRO 40 3HG PRO 40 -8.953 5.893 0.766 353 HD2 PRO 40 2HD PRO 40 -10.061 7.642 2.512 354 HD3 PRO 40 3HD PRO 40 -10.471 5.915 2.501 355 H ARG 41 HN ARG 41 -7.899 8.404 4.082 356 HA ARG 41 HA ARG 41 -5.030 8.902 4.209 357 HB2 ARG 41 2HB ARG 41 -7.367 10.820 4.113 358 HB3 ARG 41 3HB ARG 41 -5.671 11.285 4.067 359 HG2 ARG 41 2HG ARG 41 -5.393 10.074 1.964 360 HG3 ARG 41 3HG ARG 41 -7.095 9.607 2.011 361 HD2 ARG 41 2HD ARG 41 -6.570 11.574 0.545 362 HD3 ARG 41 3HD ARG 41 -7.804 11.863 1.771 363 HE ARG 41 HE ARG 41 -5.251 12.605 2.739 364 HH11 ARG 41 2HH1 ARG 41 -7.763 13.631 0.558 365 HH12 ARG 41 1HH1 ARG 41 -7.373 15.313 0.693 366 HH21 ARG 41 2HH2 ARG 41 -4.728 14.818 2.924 367 HH22 ARG 41 1HH2 ARG 41 -5.646 15.987 2.038 368 H SER 42 HN SER 42 -5.850 7.527 6.412 369 HA SER 42 HA SER 42 -5.985 9.564 8.535 370 HB2 SER 42 2HB SER 42 -7.875 8.001 8.564 371 HB3 SER 42 3HB SER 42 -6.759 6.637 8.643 372 HG SER 42 HG SER 42 -5.984 7.972 10.617 373 H LEU 43 HN LEU 43 -4.361 6.620 7.470 374 HA LEU 43 HA LEU 43 -2.378 6.928 9.606 375 HB2 LEU 43 2HB LEU 43 -2.719 4.677 7.631 376 HB3 LEU 43 3HB LEU 43 -1.632 4.699 9.017 377 HG LEU 43 HG LEU 43 -4.642 4.761 9.199 378 HD11 LEU 43 1HD1 LEU 43 -3.568 2.385 10.265 379 HD12 LEU 43 2HD1 LEU 43 -2.870 2.590 8.658 380 HD13 LEU 43 3HD1 LEU 43 -4.622 2.572 8.863 381 HD21 LEU 43 3HD2 LEU 43 -2.661 4.143 11.371 382 HD22 LEU 43 1HD2 LEU 43 -4.378 4.515 11.520 383 HD23 LEU 43 2HD2 LEU 43 -3.239 5.780 11.061 384 H GLY 44 HN GLY 44 -2.157 5.853 6.212 385 HA2 GLY 44 1HA GLY 44 0.473 6.518 5.766 386 HA3 GLY 44 2HA GLY 44 -0.758 6.514 4.511 387 H GLU 45 HN GLU 45 1.297 8.244 4.256 388 HA GLU 45 HA GLU 45 0.051 10.838 4.887 389 HB2 GLU 45 2HB GLU 45 2.212 11.829 5.194 390 HB3 GLU 45 3HB GLU 45 2.126 10.397 6.210 391 HG2 GLU 45 2HG GLU 45 3.423 9.142 4.583 392 HG3 GLU 45 3HG GLU 45 3.482 10.553 3.527 393 HA PRO 46 HA PRO 46 0.077 11.607 0.557 394 HB2 PRO 46 2HB PRO 46 0.066 14.322 0.584 395 HB3 PRO 46 3HB PRO 46 -1.349 13.351 1.007 396 HG2 PRO 46 2HG PRO 46 0.638 14.686 2.804 397 HG3 PRO 46 3HG PRO 46 -1.128 14.612 2.948 398 HD2 PRO 46 2HD PRO 46 0.519 13.011 4.382 399 HD3 PRO 46 3HD PRO 46 -1.092 12.490 3.847 400 H LEU 47 HN LEU 47 1.475 12.082 -1.107 401 HA LEU 47 HA LEU 47 4.247 12.363 -0.419 402 HB2 LEU 47 2HB LEU 47 3.446 10.910 -2.248 403 HB3 LEU 47 3HB LEU 47 2.932 12.345 -3.132 404 HG LEU 47 HG LEU 47 5.322 13.077 -3.180 405 HD11 LEU 47 1HD1 LEU 47 5.913 11.568 -1.201 406 HD12 LEU 47 2HD1 LEU 47 7.065 11.665 -2.533 407 HD13 LEU 47 3HD1 LEU 47 6.002 10.266 -2.387 408 HD21 LEU 47 3HD2 LEU 47 5.085 10.367 -4.429 409 HD22 LEU 47 1HD2 LEU 47 5.814 11.836 -5.076 410 HD23 LEU 47 2HD2 LEU 47 4.059 11.698 -4.967 411 H ARG 48 HN ARG 48 5.676 13.976 -1.356 412 HA ARG 48 HA ARG 48 4.342 16.553 -1.859 413 HB2 ARG 48 2HB ARG 48 5.401 16.260 0.463 414 HB3 ARG 48 3HB ARG 48 6.948 16.313 -0.372 415 HG2 ARG 48 2HG ARG 48 6.673 18.503 0.269 416 HG3 ARG 48 3HG ARG 48 6.035 18.526 -1.376 417 HD2 ARG 48 2HD ARG 48 4.400 19.668 -0.217 418 HD3 ARG 48 3HD ARG 48 3.763 18.024 -0.218 419 HE ARG 48 HE ARG 48 3.947 18.011 2.054 420 HH11 ARG 48 2HH1 ARG 48 6.022 20.502 0.784 421 HH12 ARG 48 1HH1 ARG 48 6.461 21.114 2.344 422 HH21 ARG 48 2HH2 ARG 48 4.517 18.808 4.114 423 HH22 ARG 48 1HH2 ARG 48 5.605 20.149 4.238 424 H GLY 49 HN GLY 49 5.442 18.013 -3.232 425 HA2 GLY 49 1HA GLY 49 7.905 17.904 -4.350 426 HA3 GLY 49 2HA GLY 49 7.019 16.689 -5.260 427 HA PRO 50 HA PRO 50 6.466 20.898 -7.226 428 HB2 PRO 50 2HB PRO 50 7.351 20.167 -9.686 429 HB3 PRO 50 3HB PRO 50 8.427 20.763 -8.417 430 HG2 PRO 50 2HG PRO 50 7.872 17.945 -9.261 431 HG3 PRO 50 3HG PRO 50 9.421 18.708 -8.860 432 HD2 PRO 50 2HD PRO 50 8.079 17.132 -7.115 433 HD3 PRO 50 3HD PRO 50 9.079 18.502 -6.590 434 H GLU 51 HN GLU 51 5.988 17.719 -8.776 435 HA GLU 51 HA GLU 51 3.304 18.627 -9.588 436 HB2 GLU 51 2HB GLU 51 3.461 17.246 -11.556 437 HB3 GLU 51 3HB GLU 51 4.869 18.297 -11.491 438 HG2 GLU 51 2HG GLU 51 5.980 16.253 -10.310 439 HG3 GLU 51 3HG GLU 51 4.683 15.352 -11.093 440 H LEU 52 HN LEU 52 5.210 16.196 -8.045 441 HA LEU 52 HA LEU 52 3.210 14.152 -8.023 442 HB2 LEU 52 2HB LEU 52 5.853 14.585 -6.739 443 HB3 LEU 52 3HB LEU 52 4.767 13.404 -6.008 444 HG LEU 52 HG LEU 52 6.195 12.179 -7.420 445 HD11 LEU 52 1HD1 LEU 52 4.689 11.055 -8.735 446 HD12 LEU 52 2HD1 LEU 52 3.901 12.532 -9.289 447 HD13 LEU 52 3HD1 LEU 52 3.601 11.931 -7.658 448 HD21 LEU 52 3HD2 LEU 52 7.206 13.888 -8.721 449 HD22 LEU 52 1HD2 LEU 52 5.669 14.318 -9.471 450 HD23 LEU 52 2HD2 LEU 52 6.433 12.775 -9.852 451 H GLY 53 HN GLY 53 2.190 13.321 -6.052 452 HA2 GLY 53 1HA GLY 53 1.982 14.355 -3.584 453 HA3 GLY 53 2HA GLY 53 1.049 15.509 -4.524 454 H ARG 54 HN ARG 54 0.131 13.399 -6.386 455 HA ARG 54 HA ARG 54 -2.158 12.565 -4.840 456 HB2 ARG 54 2HB ARG 54 -2.150 13.393 -7.278 457 HB3 ARG 54 3HB ARG 54 -1.590 11.777 -7.687 458 HG2 ARG 54 2HG ARG 54 -3.898 11.694 -7.992 459 HG3 ARG 54 3HG ARG 54 -3.638 10.935 -6.420 460 HD2 ARG 54 2HD ARG 54 -4.227 13.020 -5.305 461 HD3 ARG 54 3HD ARG 54 -4.448 13.805 -6.868 462 HE ARG 54 HE ARG 54 -6.159 11.745 -7.025 463 HH11 ARG 54 2HH1 ARG 54 -5.617 14.144 -4.561 464 HH12 ARG 54 1HH1 ARG 54 -7.260 14.140 -4.012 465 HH21 ARG 54 2HH2 ARG 54 -8.326 11.730 -6.311 466 HH22 ARG 54 1HH2 ARG 54 -8.800 12.766 -5.007 467 H PHE 55 HN PHE 55 -0.312 11.306 -3.558 468 HA PHE 55 HA PHE 55 -0.772 8.522 -4.159 469 HB2 PHE 55 2HB PHE 55 2.042 9.633 -4.148 470 HB3 PHE 55 3HB PHE 55 1.637 7.920 -4.133 471 HD1 PHE 55 2HD PHE 55 1.403 11.021 -6.129 472 HD2 PHE 55 1HD PHE 55 1.123 6.774 -6.118 473 HE1 PHE 55 2HE PHE 55 1.326 11.022 -8.588 474 HE2 PHE 55 1HE PHE 55 1.046 6.769 -8.577 475 HZ PHE 55 HZ PHE 55 1.147 8.895 -9.815 476 H TRP 56 HN TRP 56 -1.287 7.634 -2.284 477 HA TRP 56 HA TRP 56 -0.296 8.840 0.192 478 HB2 TRP 56 2HB TRP 56 -2.802 8.215 -0.401 479 HB3 TRP 56 3HB TRP 56 -2.303 6.629 0.183 480 HD1 TRP 56 1HD TRP 56 -1.986 6.327 2.774 481 HE1 TRP 56 1HE TRP 56 -2.495 7.824 4.805 482 HE3 TRP 56 3HE TRP 56 -2.818 10.743 0.338 483 HZ2 TRP 56 2HZ TRP 56 -3.161 10.521 5.307 484 HZ3 TRP 56 3HZ TRP 56 -3.386 12.735 1.667 485 HH2 TRP 56 2HH TRP 56 -3.554 12.623 4.100 486 H LYS 57 HN LYS 57 1.170 7.882 1.448 487 HA LYS 57 HA LYS 57 1.918 5.103 0.820 488 HB2 LYS 57 2HB LYS 57 3.611 7.320 1.988 489 HB3 LYS 57 3HB LYS 57 4.154 5.670 1.712 490 HG2 LYS 57 2HG LYS 57 4.978 6.744 -0.139 491 HG3 LYS 57 3HG LYS 57 3.437 6.135 -0.747 492 HD2 LYS 57 2HD LYS 57 3.292 8.297 -1.464 493 HD3 LYS 57 3HD LYS 57 2.582 8.481 0.141 494 HE2 LYS 57 2HE LYS 57 5.528 8.767 -0.133 495 HE3 LYS 57 3HE LYS 57 4.510 10.075 -0.733 496 HZ1 LYS 57 3HZ LYS 57 5.286 9.620 1.881 497 HZ2 LYS 57 1HZ LYS 57 3.636 9.250 1.827 498 HZ3 LYS 57 2HZ LYS 57 4.178 10.773 1.328 499 H TYR 58 HN TYR 58 1.912 3.605 2.402 500 HA TYR 58 HA TYR 58 1.073 4.496 5.075 501 HB2 TYR 58 2HB TYR 58 0.766 1.816 3.707 502 HB3 TYR 58 3HB TYR 58 0.291 2.143 5.369 503 HD1 TYR 58 1HD TYR 58 -1.514 3.865 5.793 504 HD2 TYR 58 2HD TYR 58 -0.666 2.341 1.912 505 HE1 TYR 58 1HE TYR 58 -3.717 4.634 5.016 506 HE2 TYR 58 2HE TYR 58 -2.866 3.107 1.124 507 HH TYR 58 HH TYR 58 -4.561 5.193 2.142 508 H ARG 59 HN ARG 59 1.935 3.363 6.934 509 HA ARG 59 HA ARG 59 4.642 2.295 6.467 510 HB2 ARG 59 2HB ARG 59 5.351 3.337 8.560 511 HB3 ARG 59 3HB ARG 59 4.735 4.544 7.439 512 HG2 ARG 59 2HG ARG 59 2.570 4.485 8.655 513 HG3 ARG 59 3HG ARG 59 3.314 3.402 9.833 514 HD2 ARG 59 2HD ARG 59 3.378 5.656 10.677 515 HD3 ARG 59 3HD ARG 59 5.017 5.134 10.291 516 HE ARG 59 HE ARG 59 4.227 6.404 8.038 517 HH11 ARG 59 2HH1 ARG 59 4.243 7.291 11.405 518 HH12 ARG 59 1HH1 ARG 59 4.455 8.982 11.093 519 HH21 ARG 59 2HH2 ARG 59 4.506 8.628 7.614 520 HH22 ARG 59 1HH2 ARG 59 4.604 9.742 8.936 521 H VAL 60 HN VAL 60 4.797 0.236 7.028 522 HA VAL 60 HA VAL 60 3.073 -0.771 9.197 523 HB VAL 60 HB VAL 60 4.149 -2.189 6.762 524 HG11 VAL 60 1HG1 VAL 60 3.483 -3.253 9.377 525 HG12 VAL 60 2HG1 VAL 60 2.497 -3.962 8.097 526 HG13 VAL 60 3HG1 VAL 60 4.257 -4.039 8.001 527 HG21 VAL 60 3HG2 VAL 60 2.150 -0.977 6.288 528 HG22 VAL 60 1HG2 VAL 60 1.711 -2.679 6.434 529 HG23 VAL 60 2HG2 VAL 60 1.374 -1.564 7.758 530 H GLY 61 HN GLY 61 4.486 -0.409 10.899 531 HA2 GLY 61 1HA GLY 61 6.218 -0.868 12.334 532 HA3 GLY 61 2HA GLY 61 6.323 -2.418 11.512 533 H ASP 62 HN ASP 62 7.705 -2.606 9.666 534 HA ASP 62 HA ASP 62 9.694 -0.457 9.402 535 HB2 ASP 62 2HB ASP 62 10.254 -3.403 9.782 536 HB3 ASP 62 3HB ASP 62 11.461 -2.242 9.238 537 H TYR 63 HN TYR 63 7.529 -0.916 7.686 538 HA TYR 63 HA TYR 63 8.972 -1.520 5.225 539 HB2 TYR 63 2HB TYR 63 6.365 -2.849 5.989 540 HB3 TYR 63 3HB TYR 63 7.079 -2.903 4.381 541 HD1 TYR 63 1HD TYR 63 7.938 -3.676 7.934 542 HD2 TYR 63 2HD TYR 63 8.443 -4.690 3.833 543 HE1 TYR 63 1HE TYR 63 9.246 -5.652 8.590 544 HE2 TYR 63 2HE TYR 63 9.752 -6.670 4.478 545 HH TYR 63 HH TYR 63 9.735 -8.153 6.977 546 H ARG 64 HN ARG 64 8.296 -0.345 3.477 547 HA ARG 64 HA ARG 64 6.224 1.668 4.021 548 HB2 ARG 64 2HB ARG 64 8.674 1.672 2.283 549 HB3 ARG 64 3HB ARG 64 7.363 2.806 1.988 550 HG2 ARG 64 2HG ARG 64 8.736 2.542 4.648 551 HG3 ARG 64 3HG ARG 64 9.261 3.663 3.390 552 HD2 ARG 64 2HD ARG 64 6.469 3.610 4.519 553 HD3 ARG 64 3HD ARG 64 7.753 4.641 5.149 554 HE ARG 64 HE ARG 64 7.398 4.960 2.336 555 HH11 ARG 64 2HH1 ARG 64 6.135 5.875 5.448 556 HH12 ARG 64 1HH1 ARG 64 5.456 7.364 4.880 557 HH21 ARG 64 2HH2 ARG 64 6.507 6.917 1.575 558 HH22 ARG 64 1HH2 ARG 64 5.667 7.955 2.676 559 H LEU 65 HN LEU 65 4.421 1.751 2.824 560 HA LEU 65 HA LEU 65 4.294 0.082 0.400 561 HB2 LEU 65 2HB LEU 65 1.930 0.608 2.167 562 HB3 LEU 65 3HB LEU 65 2.129 -0.635 0.934 563 HG LEU 65 HG LEU 65 3.626 -0.597 3.552 564 HD11 LEU 65 1HD1 LEU 65 2.088 -2.311 4.302 565 HD12 LEU 65 2HD1 LEU 65 1.187 -2.198 2.790 566 HD13 LEU 65 3HD1 LEU 65 1.206 -0.835 3.909 567 HD21 LEU 65 3HD2 LEU 65 3.306 -2.672 1.388 568 HD22 LEU 65 1HD2 LEU 65 4.038 -2.973 2.965 569 HD23 LEU 65 2HD2 LEU 65 4.787 -1.831 1.849 570 H ILE 66 HN ILE 66 4.096 1.326 -1.332 571 HA ILE 66 HA ILE 66 2.947 3.987 -1.115 572 HB ILE 66 HB ILE 66 3.955 2.731 -3.654 573 HG12 ILE 66 2HG1 ILE 66 5.613 2.518 -1.730 574 HG13 ILE 66 3HG1 ILE 66 6.182 3.375 -3.158 575 HG21 ILE 66 1HG2 ILE 66 3.112 4.727 -4.306 576 HG22 ILE 66 2HG2 ILE 66 3.274 5.443 -2.703 577 HG23 ILE 66 3HG2 ILE 66 4.683 5.306 -3.754 578 HD11 ILE 66 3HD1 ILE 66 6.826 4.429 -1.013 579 HD12 ILE 66 1HD1 ILE 66 5.898 5.486 -2.076 580 HD13 ILE 66 2HD1 ILE 66 5.117 4.723 -0.691 581 H CYS 67 HN CYS 67 0.778 3.995 -1.077 582 HA CYS 67 HA CYS 67 -0.652 2.365 -3.067 583 HB2 CYS 67 2HB CYS 67 -1.445 3.398 -0.355 584 HB3 CYS 67 3HB CYS 67 -2.660 2.907 -1.530 585 HG CYS 67 HG CYS 67 -0.410 0.982 0.134 586 H HIS 68 HN HIS 68 -2.579 3.328 -4.039 587 HA HIS 68 HA HIS 68 -2.352 6.255 -4.298 588 HB2 HIS 68 2HB HIS 68 -1.578 4.872 -6.299 589 HB3 HIS 68 3HB HIS 68 -3.267 4.418 -6.509 590 HD2 HIS 68 2HD HIS 68 -2.479 8.112 -5.578 591 HE1 HIS 68 1HE HIS 68 -3.637 7.979 -9.657 592 HE2 HIS 68 2HE HIS 68 -3.014 9.462 -7.719 593 H ILE 69 HN ILE 69 -4.017 6.995 -3.116 594 HA ILE 69 HA ILE 69 -6.515 5.645 -2.881 595 HB ILE 69 HB ILE 69 -5.781 8.490 -2.179 596 HG12 ILE 69 2HG1 ILE 69 -6.025 6.034 -0.428 597 HG13 ILE 69 3HG1 ILE 69 -4.504 6.734 -0.972 598 HG21 ILE 69 1HG2 ILE 69 -7.938 7.430 -0.636 599 HG22 ILE 69 2HG2 ILE 69 -7.908 8.857 -1.671 600 HG23 ILE 69 3HG2 ILE 69 -8.321 7.284 -2.351 601 HD11 ILE 69 3HD1 ILE 69 -5.335 7.288 1.383 602 HD12 ILE 69 1HD1 ILE 69 -4.748 8.609 0.373 603 HD13 ILE 69 2HD1 ILE 69 -6.482 8.357 0.576 604 H GLN 70 HN GLN 70 -8.021 5.540 -4.398 605 HA GLN 70 HA GLN 70 -8.175 7.664 -6.413 606 HB2 GLN 70 2HB GLN 70 -9.337 4.874 -6.395 607 HB3 GLN 70 3HB GLN 70 -9.551 6.038 -7.695 608 HG2 GLN 70 2HG GLN 70 -6.995 6.091 -7.813 609 HG3 GLN 70 3HG GLN 70 -7.056 4.622 -6.840 610 HE21 GLN 70 1HE2 GLN 70 -5.995 4.813 -9.449 611 HE22 GLN 70 2HE2 GLN 70 -6.952 3.817 -10.486 612 H ASP 71 HN ASP 71 -9.361 9.236 -5.384 613 HA ASP 71 HA ASP 71 -11.578 8.901 -3.755 614 HB2 ASP 71 2HB ASP 71 -10.483 11.051 -3.962 615 HB3 ASP 71 3HB ASP 71 -10.934 11.158 -5.662 616 H ARG 72 HN ARG 72 -11.385 9.056 -7.274 617 HA ARG 72 HA ARG 72 -13.889 9.394 -8.143 618 HB2 ARG 72 2HB ARG 72 -11.956 7.235 -8.984 619 HB3 ARG 72 3HB ARG 72 -13.448 7.573 -9.851 620 HG2 ARG 72 2HG ARG 72 -12.553 9.997 -9.961 621 HG3 ARG 72 3HG ARG 72 -10.995 9.256 -9.588 622 HD2 ARG 72 2HD ARG 72 -11.209 7.803 -11.534 623 HD3 ARG 72 3HD ARG 72 -12.786 8.505 -11.895 624 HE ARG 72 HE ARG 72 -11.738 10.362 -12.762 625 HH11 ARG 72 2HH1 ARG 72 -9.425 8.370 -11.088 626 HH12 ARG 72 1HH1 ARG 72 -8.050 9.239 -11.683 627 HH21 ARG 72 2HH2 ARG 72 -9.935 11.515 -13.552 628 HH22 ARG 72 1HH2 ARG 72 -8.341 11.028 -13.084 629 H GLU 73 HN GLU 73 -12.733 6.168 -7.137 630 HA GLU 73 HA GLU 73 -15.505 5.534 -6.363 631 HB2 GLU 73 2HB GLU 73 -13.482 3.892 -7.847 632 HB3 GLU 73 3HB GLU 73 -14.715 3.100 -6.876 633 HG2 GLU 73 2HG GLU 73 -16.460 4.179 -8.174 634 HG3 GLU 73 3HG GLU 73 -15.243 5.025 -9.128 635 H ALA 74 HN ALA 74 -13.303 6.620 -4.757 636 HA ALA 74 HA ALA 74 -12.085 6.200 -2.847 637 HB1 ALA 74 1HB ALA 74 -13.532 6.026 -1.135 638 HB2 ALA 74 2HB ALA 74 -14.751 6.094 -2.408 639 HB3 ALA 74 3HB ALA 74 -14.247 4.537 -1.752 640 H THR 75 HN THR 75 -11.034 4.534 -4.611 641 HA THR 75 HA THR 75 -10.830 1.967 -3.175 642 HB THR 75 HB THR 75 -10.701 2.452 -6.154 643 HG1 THR 75 1HG THR 75 -12.714 1.844 -5.997 644 HG21 THR 75 3HG2 THR 75 -9.298 0.722 -6.288 645 HG22 THR 75 1HG2 THR 75 -10.590 -0.295 -5.652 646 HG23 THR 75 2HG2 THR 75 -9.412 0.424 -4.554 647 H VAL 76 HN VAL 76 -8.877 1.527 -2.399 648 HA VAL 76 HA VAL 76 -6.622 3.195 -3.196 649 HB VAL 76 HB VAL 76 -6.804 1.136 -0.992 650 HG11 VAL 76 1HG1 VAL 76 -4.787 3.288 -0.922 651 HG12 VAL 76 2HG1 VAL 76 -4.669 1.601 -0.417 652 HG13 VAL 76 3HG1 VAL 76 -4.533 2.024 -2.124 653 HG21 VAL 76 3HG2 VAL 76 -6.553 3.843 -0.087 654 HG22 VAL 76 1HG2 VAL 76 -7.949 3.698 -1.154 655 HG23 VAL 76 2HG2 VAL 76 -7.815 2.663 0.267 656 H LEU 77 HN LEU 77 -5.177 2.541 -4.636 657 HA LEU 77 HA LEU 77 -4.868 -0.352 -5.106 658 HB2 LEU 77 2HB LEU 77 -5.762 0.466 -7.081 659 HB3 LEU 77 3HB LEU 77 -4.874 1.985 -6.969 660 HG LEU 77 HG LEU 77 -2.782 0.532 -7.393 661 HD11 LEU 77 1HD1 LEU 77 -3.055 -1.541 -8.439 662 HD12 LEU 77 2HD1 LEU 77 -4.783 -1.291 -8.687 663 HD13 LEU 77 3HD1 LEU 77 -4.160 -1.594 -7.065 664 HD21 LEU 77 3HD2 LEU 77 -4.839 1.007 -9.548 665 HD22 LEU 77 1HD2 LEU 77 -3.125 0.695 -9.822 666 HD23 LEU 77 2HD2 LEU 77 -3.630 2.159 -8.978 667 H VAL 78 HN VAL 78 -2.961 -1.164 -4.565 668 HA VAL 78 HA VAL 78 -0.805 0.475 -3.695 669 HB VAL 78 HB VAL 78 -0.870 -2.492 -4.264 670 HG11 VAL 78 1HG1 VAL 78 1.129 -2.536 -2.758 671 HG12 VAL 78 2HG1 VAL 78 1.405 -1.771 -4.324 672 HG13 VAL 78 3HG1 VAL 78 1.187 -0.778 -2.882 673 HG21 VAL 78 3HG2 VAL 78 -0.699 -1.708 -1.491 674 HG22 VAL 78 1HG2 VAL 78 -2.131 -1.022 -2.259 675 HG23 VAL 78 2HG2 VAL 78 -1.863 -2.765 -2.290 676 H LEU 79 HN LEU 79 1.243 0.757 -4.604 677 HA LEU 79 HA LEU 79 1.409 0.184 -7.491 678 HB2 LEU 79 2HB LEU 79 2.222 2.593 -5.907 679 HB3 LEU 79 3HB LEU 79 2.989 2.229 -7.452 680 HG LEU 79 HG LEU 79 0.008 2.497 -7.213 681 HD11 LEU 79 1HD1 LEU 79 1.784 4.773 -8.006 682 HD12 LEU 79 2HD1 LEU 79 1.322 4.524 -6.323 683 HD13 LEU 79 3HD1 LEU 79 0.081 4.794 -7.546 684 HD21 LEU 79 3HD2 LEU 79 0.919 1.477 -9.241 685 HD22 LEU 79 1HD2 LEU 79 1.943 2.891 -9.494 686 HD23 LEU 79 2HD2 LEU 79 0.188 3.046 -9.582 687 H ARG 80 HN ARG 80 3.302 0.676 -4.528 688 HA ARG 80 HA ARG 80 5.210 -1.325 -5.489 689 HB2 ARG 80 2HB ARG 80 5.907 1.462 -4.571 690 HB3 ARG 80 3HB ARG 80 7.075 0.147 -4.569 691 HG2 ARG 80 2HG ARG 80 5.578 0.771 -7.070 692 HG3 ARG 80 3HG ARG 80 6.936 1.788 -6.585 693 HD2 ARG 80 2HD ARG 80 7.037 -1.206 -6.942 694 HD3 ARG 80 3HD ARG 80 7.603 -0.022 -8.120 695 HE ARG 80 HE ARG 80 8.931 0.567 -5.786 696 HH11 ARG 80 2HH1 ARG 80 8.642 -2.191 -7.892 697 HH12 ARG 80 1HH1 ARG 80 10.229 -2.790 -7.540 698 HH21 ARG 80 2HH2 ARG 80 11.022 -0.213 -5.314 699 HH22 ARG 80 1HH2 ARG 80 11.581 -1.665 -6.073 700 H VAL 81 HN VAL 81 6.511 -2.263 -3.790 701 HA VAL 81 HA VAL 81 5.691 -1.714 -1.047 702 HB VAL 81 HB VAL 81 5.215 -4.339 -2.438 703 HG11 VAL 81 1HG1 VAL 81 6.046 -5.368 -0.633 704 HG12 VAL 81 2HG1 VAL 81 6.089 -3.877 0.310 705 HG13 VAL 81 3HG1 VAL 81 4.592 -4.802 0.189 706 HG21 VAL 81 3HG2 VAL 81 3.356 -2.792 -2.431 707 HG22 VAL 81 1HG2 VAL 81 3.012 -4.136 -1.342 708 HG23 VAL 81 2HG2 VAL 81 3.505 -2.574 -0.687 709 H GLY 82 HN GLY 82 7.541 -1.484 0.018 710 HA2 GLY 82 1HA GLY 82 9.540 -3.569 -0.066 711 HA3 GLY 82 2HA GLY 82 10.075 -2.041 -0.751 712 H HIS 83 HN HIS 83 11.218 -3.308 1.518 713 HA HIS 83 HA HIS 83 10.315 -2.351 3.977 714 HB2 HIS 83 2HB HIS 83 12.170 -4.060 3.483 715 HB3 HIS 83 3HB HIS 83 13.235 -2.668 3.308 716 HD2 HIS 83 2HD HIS 83 11.931 -4.949 6.033 717 HE1 HIS 83 1HE HIS 83 13.457 -1.510 7.992 718 HE2 HIS 83 2HE HIS 83 12.708 -3.899 8.265 719 H ALA 84 HN ALA 84 10.557 -0.476 5.084 720 HA ALA 84 HA ALA 84 10.643 1.956 3.979 721 HB1 ALA 84 1HB ALA 84 11.317 2.888 6.091 722 HB2 ALA 84 2HB ALA 84 10.278 1.493 6.388 723 HB3 ALA 84 3HB ALA 84 12.024 1.350 6.589 724 H ARG 85 HN ARG 85 13.566 0.275 5.135 725 HA ARG 85 HA ARG 85 15.427 2.208 4.389 726 HB2 ARG 85 2HB ARG 85 15.802 -0.792 4.420 727 HB3 ARG 85 3HB ARG 85 17.086 0.408 4.456 728 HG2 ARG 85 2HG ARG 85 16.566 1.072 6.633 729 HG3 ARG 85 3HG ARG 85 14.969 0.323 6.574 730 HD2 ARG 85 2HD ARG 85 15.898 -1.861 6.683 731 HD3 ARG 85 3HD ARG 85 17.530 -1.250 6.410 732 HE ARG 85 HE ARG 85 16.232 -0.261 8.796 733 HH11 ARG 85 2HH1 ARG 85 18.297 -2.692 7.401 734 HH12 ARG 85 1HH1 ARG 85 19.037 -3.115 8.909 735 HH21 ARG 85 2HH2 ARG 85 17.199 -0.809 10.788 736 HH22 ARG 85 1HH2 ARG 85 18.411 -2.045 10.836 737 H ASP 86 HN ASP 86 14.218 -0.585 2.555 738 HA ASP 86 HA ASP 86 15.785 -0.236 0.266 739 HB2 ASP 86 2HB ASP 86 14.247 -2.202 0.917 740 HB3 ASP 86 3HB ASP 86 12.958 -1.265 0.169 741 H VAL 87 HN VAL 87 12.305 0.515 0.451 742 HA VAL 87 HA VAL 87 11.970 1.973 -1.792 743 HB VAL 87 HB VAL 87 10.818 2.654 0.916 744 HG11 VAL 87 1HG1 VAL 87 10.707 4.479 -0.830 745 HG12 VAL 87 2HG1 VAL 87 9.678 3.394 -1.768 746 HG13 VAL 87 3HG1 VAL 87 9.161 3.942 -0.173 747 HG21 VAL 87 3HG2 VAL 87 9.547 0.849 0.680 748 HG22 VAL 87 1HG2 VAL 87 8.978 1.428 -0.886 749 HG23 VAL 87 2HG2 VAL 87 10.431 0.434 -0.789 750 H TYR 88 HN TYR 88 12.568 3.646 1.300 751 HA TYR 88 HA TYR 88 14.160 5.628 -0.190 752 HB2 TYR 88 2HB TYR 88 11.927 6.002 1.740 753 HB3 TYR 88 3HB TYR 88 13.266 7.141 1.824 754 HD1 TYR 88 1HD TYR 88 14.029 7.621 -0.893 755 HD2 TYR 88 2HD TYR 88 10.131 7.010 0.699 756 HE1 TYR 88 1HE TYR 88 13.072 8.891 -2.768 757 HE2 TYR 88 2HE TYR 88 9.162 8.278 -1.173 758 HH TYR 88 HH TYR 88 10.462 10.300 -2.892 759 H ARG 89 HN ARG 89 16.206 5.211 0.367 760 HA ARG 89 HA ARG 89 16.970 4.147 2.897 761 HB2 ARG 89 2HB ARG 89 18.416 5.152 0.483 762 HB3 ARG 89 3HB ARG 89 19.314 4.944 1.981 763 HG2 ARG 89 2HG ARG 89 18.823 2.618 2.047 764 HG3 ARG 89 3HG ARG 89 17.669 2.766 0.720 765 HD2 ARG 89 2HD ARG 89 19.847 1.812 0.026 766 HD3 ARG 89 3HD ARG 89 19.433 3.301 -0.823 767 HE ARG 89 HE ARG 89 20.967 4.038 1.357 768 HH11 ARG 89 2HH1 ARG 89 21.344 2.092 -1.505 769 HH12 ARG 89 1HH1 ARG 89 23.046 2.388 -1.640 770 HH21 ARG 89 2HH2 ARG 89 23.207 4.435 1.190 771 HH22 ARG 89 1HH2 ARG 89 24.105 3.720 -0.106 Start of MODEL 9 1 H1 MET 1 HN MET 1 -19.208 4.583 1.198 2 HA MET 1 HA MET 1 -18.534 4.253 4.000 3 HB2 MET 1 2HB MET 1 -20.807 3.723 3.067 4 HB3 MET 1 3HB MET 1 -20.077 2.369 2.213 5 HG2 MET 1 2HG MET 1 -19.445 1.343 4.305 6 HG3 MET 1 3HG MET 1 -20.060 2.731 5.200 7 HE1 MET 1 3HE MET 1 -21.473 1.163 6.731 8 HE2 MET 1 1HE MET 1 -22.316 2.656 6.316 9 HE3 MET 1 2HE MET 1 -23.188 1.124 6.320 10 H GLY 2 HN GLY 2 -16.291 3.913 3.929 11 HA2 GLY 2 1HA GLY 2 -14.489 2.472 4.070 12 HA3 GLY 2 2HA GLY 2 -15.531 1.177 3.502 13 H TYR 3 HN TYR 3 -12.900 1.415 2.661 14 HA TYR 3 HA TYR 3 -13.242 2.223 -0.153 15 HB2 TYR 3 2HB TYR 3 -10.883 2.502 1.685 16 HB3 TYR 3 3HB TYR 3 -10.653 2.424 -0.058 17 HD1 TYR 3 2HD TYR 3 -12.890 4.217 2.352 18 HD2 TYR 3 1HD TYR 3 -10.447 4.450 -1.125 19 HE1 TYR 3 2HE TYR 3 -13.363 6.625 2.188 20 HE2 TYR 3 1HE TYR 3 -10.914 6.859 -1.298 21 HH TYR 3 HH TYR 3 -13.342 8.365 0.071 22 H ARG 4 HN ARG 4 -12.151 0.944 -1.736 23 HA ARG 4 HA ARG 4 -12.135 -1.864 -1.057 24 HB2 ARG 4 2HB ARG 4 -13.163 -1.132 -3.148 25 HB3 ARG 4 3HB ARG 4 -11.631 -0.452 -3.682 26 HG2 ARG 4 2HG ARG 4 -11.910 -2.521 -4.798 27 HG3 ARG 4 3HG ARG 4 -10.670 -2.762 -3.566 28 HD2 ARG 4 2HD ARG 4 -11.953 -4.624 -3.218 29 HD3 ARG 4 3HD ARG 4 -12.730 -3.496 -2.107 30 HE ARG 4 HE ARG 4 -13.954 -3.375 -4.655 31 HH11 ARG 4 2HH1 ARG 4 -13.716 -5.384 -1.822 32 HH12 ARG 4 1HH1 ARG 4 -15.278 -6.101 -2.039 33 HH21 ARG 4 2HH2 ARG 4 -16.013 -4.311 -4.951 34 HH22 ARG 4 1HH2 ARG 4 -16.583 -5.491 -3.820 35 H ILE 5 HN ILE 5 -10.390 -3.273 -1.238 36 HA ILE 5 HA ILE 5 -7.756 -1.967 -1.129 37 HB ILE 5 HB ILE 5 -8.479 -4.709 -0.096 38 HG12 ILE 5 2HG1 ILE 5 -9.716 -3.154 1.227 39 HG13 ILE 5 3HG1 ILE 5 -8.291 -3.588 2.164 40 HG21 ILE 5 1HG2 ILE 5 -6.050 -3.958 -0.738 41 HG22 ILE 5 2HG2 ILE 5 -6.131 -3.115 0.808 42 HG23 ILE 5 3HG2 ILE 5 -6.350 -4.864 0.745 43 HD11 ILE 5 3HD1 ILE 5 -8.710 -1.225 2.334 44 HD12 ILE 5 1HD1 ILE 5 -7.214 -1.501 1.443 45 HD13 ILE 5 2HD1 ILE 5 -8.689 -1.064 0.579 46 H GLU 6 HN GLU 6 -6.945 -1.996 -3.149 47 HA GLU 6 HA GLU 6 -6.921 -4.580 -4.567 48 HB2 GLU 6 2HB GLU 6 -7.040 -1.759 -5.612 49 HB3 GLU 6 3HB GLU 6 -6.527 -3.100 -6.627 50 HG2 GLU 6 2HG GLU 6 -9.144 -3.126 -5.165 51 HG3 GLU 6 3HG GLU 6 -8.963 -2.391 -6.757 52 H PHE 7 HN PHE 7 -5.017 -4.984 -5.916 53 HA PHE 7 HA PHE 7 -2.605 -3.559 -5.051 54 HB2 PHE 7 2HB PHE 7 -3.154 -6.500 -4.802 55 HB3 PHE 7 3HB PHE 7 -1.506 -5.919 -5.014 56 HD1 PHE 7 1HD PHE 7 -4.509 -5.440 -2.872 57 HD2 PHE 7 2HD PHE 7 -0.266 -5.286 -3.169 58 HE1 PHE 7 1HE PHE 7 -4.360 -5.003 -0.456 59 HE2 PHE 7 2HE PHE 7 -0.109 -4.849 -0.753 60 HZ PHE 7 HZ PHE 7 -2.158 -4.707 0.607 61 H ASP 8 HN ASP 8 -1.199 -3.164 -6.652 62 HA ASP 8 HA ASP 8 -1.900 -3.602 -9.335 63 HB2 ASP 8 2HB ASP 8 0.469 -2.531 -7.901 64 HB3 ASP 8 3HB ASP 8 0.719 -3.053 -9.565 65 HA PRO 9 HA PRO 9 -0.303 -7.544 -10.401 66 HB2 PRO 9 2HB PRO 9 0.840 -7.101 -12.823 67 HB3 PRO 9 3HB PRO 9 -0.910 -7.108 -12.574 68 HG2 PRO 9 2HG PRO 9 0.966 -4.783 -12.769 69 HG3 PRO 9 3HG PRO 9 -0.640 -4.989 -13.492 70 HD2 PRO 9 2HD PRO 9 -0.230 -3.534 -11.246 71 HD3 PRO 9 3HD PRO 9 -1.729 -4.439 -11.537 72 H ARG 10 HN ARG 10 1.831 -4.909 -9.982 73 HA ARG 10 HA ARG 10 4.218 -6.576 -10.246 74 HB2 ARG 10 2HB ARG 10 3.772 -3.619 -9.926 75 HB3 ARG 10 3HB ARG 10 5.358 -4.333 -9.670 76 HG2 ARG 10 2HG ARG 10 3.912 -4.946 -12.195 77 HG3 ARG 10 3HG ARG 10 4.661 -3.360 -12.003 78 HD2 ARG 10 2HD ARG 10 6.800 -4.250 -11.846 79 HD3 ARG 10 3HD ARG 10 6.207 -5.849 -11.397 80 HE ARG 10 HE ARG 10 6.568 -4.815 -14.055 81 HH11 ARG 10 2HH1 ARG 10 4.868 -7.130 -12.087 82 HH12 ARG 10 1HH1 ARG 10 4.554 -8.213 -13.402 83 HH21 ARG 10 2HH2 ARG 10 6.161 -6.233 -15.795 84 HH22 ARG 10 1HH2 ARG 10 5.291 -7.702 -15.511 85 H ALA 11 HN ALA 11 2.641 -4.480 -7.840 86 HA ALA 11 HA ALA 11 4.381 -5.045 -5.712 87 HB1 ALA 11 1HB ALA 11 2.871 -3.151 -5.658 88 HB2 ALA 11 2HB ALA 11 1.478 -4.233 -5.639 89 HB3 ALA 11 3HB ALA 11 2.583 -4.194 -4.265 90 H GLU 12 HN GLU 12 1.488 -6.685 -6.871 91 HA GLU 12 HA GLU 12 0.922 -8.363 -4.763 92 HB2 GLU 12 2HB GLU 12 0.608 -8.562 -7.714 93 HB3 GLU 12 3HB GLU 12 0.393 -10.034 -6.778 94 HG2 GLU 12 2HG GLU 12 -1.075 -7.476 -6.204 95 HG3 GLU 12 3HG GLU 12 -1.696 -8.745 -7.257 96 H LYS 13 HN LYS 13 3.304 -8.845 -7.347 97 HA LYS 13 HA LYS 13 4.181 -11.381 -6.380 98 HB2 LYS 13 2HB LYS 13 5.463 -9.421 -8.291 99 HB3 LYS 13 3HB LYS 13 6.080 -11.036 -7.970 100 HG2 LYS 13 2HG LYS 13 3.251 -10.770 -8.828 101 HG3 LYS 13 3HG LYS 13 4.519 -10.524 -10.031 102 HD2 LYS 13 2HD LYS 13 5.385 -12.707 -9.691 103 HD3 LYS 13 3HD LYS 13 4.411 -12.941 -8.238 104 HE2 LYS 13 2HE LYS 13 3.139 -12.451 -10.911 105 HE3 LYS 13 3HE LYS 13 3.648 -14.067 -10.423 106 HZ1 LYS 13 3HZ LYS 13 2.278 -13.569 -8.323 107 HZ2 LYS 13 1HZ LYS 13 1.457 -13.976 -9.745 108 HZ3 LYS 13 2HZ LYS 13 1.549 -12.360 -9.255 109 H GLU 14 HN GLU 14 5.478 -8.081 -6.165 110 HA GLU 14 HA GLU 14 7.848 -8.619 -4.838 111 HB2 GLU 14 2HB GLU 14 5.991 -6.250 -4.706 112 HB3 GLU 14 3HB GLU 14 7.521 -6.288 -3.839 113 HG2 GLU 14 2HG GLU 14 8.477 -6.907 -6.204 114 HG3 GLU 14 3HG GLU 14 6.998 -6.126 -6.760 115 H LEU 15 HN LEU 15 4.694 -7.812 -3.388 116 HA LEU 15 HA LEU 15 5.533 -8.193 -0.717 117 HB2 LEU 15 2HB LEU 15 3.603 -6.881 -1.103 118 HB3 LEU 15 3HB LEU 15 2.830 -8.165 -2.031 119 HG LEU 15 HG LEU 15 3.434 -8.591 0.866 120 HD11 LEU 15 1HD1 LEU 15 2.325 -6.497 0.959 121 HD12 LEU 15 2HD1 LEU 15 1.119 -7.729 1.330 122 HD13 LEU 15 3HD1 LEU 15 1.156 -6.985 -0.268 123 HD21 LEU 15 3HD2 LEU 15 1.510 -9.661 -1.167 124 HD22 LEU 15 1HD2 LEU 15 1.199 -9.837 0.561 125 HD23 LEU 15 2HD2 LEU 15 2.656 -10.534 -0.148 126 H GLU 16 HN GLU 16 3.864 -10.311 -3.020 127 HA GLU 16 HA GLU 16 3.373 -12.470 -1.336 128 HB2 GLU 16 2HB GLU 16 3.702 -12.125 -4.271 129 HB3 GLU 16 3HB GLU 16 3.783 -13.764 -3.639 130 HG2 GLU 16 2HG GLU 16 1.578 -13.154 -2.437 131 HG3 GLU 16 3HG GLU 16 1.497 -11.842 -3.611 132 H LYS 17 HN LYS 17 6.335 -11.339 -2.696 133 HA LYS 17 HA LYS 17 7.744 -13.831 -2.184 134 HB2 LYS 17 2HB LYS 17 8.722 -12.942 -4.038 135 HB3 LYS 17 3HB LYS 17 8.339 -11.288 -3.578 136 HG2 LYS 17 2HG LYS 17 10.243 -11.053 -2.311 137 HG3 LYS 17 3HG LYS 17 10.410 -12.790 -2.047 138 HD2 LYS 17 2HD LYS 17 10.958 -13.033 -4.469 139 HD3 LYS 17 3HD LYS 17 10.953 -11.273 -4.597 140 HE2 LYS 17 2HE LYS 17 12.879 -11.043 -3.365 141 HE3 LYS 17 3HE LYS 17 12.633 -12.560 -2.500 142 HZ1 LYS 17 3HZ LYS 17 13.735 -12.127 -5.196 143 HZ2 LYS 17 1HZ LYS 17 13.021 -13.609 -4.804 144 HZ3 LYS 17 2HZ LYS 17 14.356 -13.055 -3.926 145 H LEU 18 HN LEU 18 7.197 -10.749 -0.691 146 HA LEU 18 HA LEU 18 9.391 -10.622 1.038 147 HB2 LEU 18 2HB LEU 18 6.584 -9.580 1.213 148 HB3 LEU 18 3HB LEU 18 7.740 -9.324 2.519 149 HG LEU 18 HG LEU 18 8.243 -8.432 -0.313 150 HD11 LEU 18 1HD1 LEU 18 7.515 -6.438 1.727 151 HD12 LEU 18 2HD1 LEU 18 6.199 -7.455 1.142 152 HD13 LEU 18 3HD1 LEU 18 7.143 -6.494 0.004 153 HD21 LEU 18 3HD2 LEU 18 9.871 -8.609 1.962 154 HD22 LEU 18 1HD2 LEU 18 9.477 -6.900 1.777 155 HD23 LEU 18 2HD2 LEU 18 10.225 -7.780 0.445 156 H ASP 19 HN ASP 19 9.296 -10.896 3.435 157 HA ASP 19 HA ASP 19 9.116 -13.462 4.248 158 HB2 ASP 19 2HB ASP 19 9.972 -11.507 5.591 159 HB3 ASP 19 3HB ASP 19 8.302 -11.164 6.034 160 H ARG 20 HN ARG 20 7.596 -14.925 4.755 161 HA ARG 20 HA ARG 20 4.993 -14.746 3.911 162 HB2 ARG 20 2HB ARG 20 6.371 -16.478 5.920 163 HB3 ARG 20 3HB ARG 20 4.621 -16.573 5.775 164 HG2 ARG 20 2HG ARG 20 5.560 -18.275 4.409 165 HG3 ARG 20 3HG ARG 20 4.923 -17.024 3.340 166 HD2 ARG 20 2HD ARG 20 7.002 -16.345 2.669 167 HD3 ARG 20 3HD ARG 20 7.768 -16.839 4.178 168 HE ARG 20 HE ARG 20 6.910 -19.148 2.891 169 HH11 ARG 20 2HH1 ARG 20 9.171 -16.556 2.355 170 HH12 ARG 20 1HH1 ARG 20 10.264 -17.527 1.425 171 HH21 ARG 20 2HH2 ARG 20 8.341 -20.437 1.669 172 HH22 ARG 20 1HH2 ARG 20 9.791 -19.734 1.035 173 H GLU 21 HN GLU 21 6.224 -14.149 7.190 174 HA GLU 21 HA GLU 21 3.737 -13.586 8.376 175 HB2 GLU 21 2HB GLU 21 6.569 -12.865 9.079 176 HB3 GLU 21 3HB GLU 21 5.220 -12.268 10.034 177 HG2 GLU 21 2HG GLU 21 4.538 -14.510 10.568 178 HG3 GLU 21 3HG GLU 21 5.769 -15.176 9.497 179 H VAL 22 HN VAL 22 6.226 -11.393 7.083 180 HA VAL 22 HA VAL 22 4.957 -8.978 7.578 181 HB VAL 22 HB VAL 22 6.745 -9.727 5.263 182 HG11 VAL 22 1HG1 VAL 22 6.007 -7.781 4.402 183 HG12 VAL 22 2HG1 VAL 22 5.382 -7.211 5.950 184 HG13 VAL 22 3HG1 VAL 22 7.102 -7.068 5.586 185 HG21 VAL 22 3HG2 VAL 22 7.568 -8.071 7.606 186 HG22 VAL 22 1HG2 VAL 22 7.493 -9.825 7.767 187 HG23 VAL 22 2HG2 VAL 22 8.545 -9.096 6.554 188 H ALA 23 HN ALA 23 4.805 -10.951 4.614 189 HA ALA 23 HA ALA 23 3.125 -9.410 3.089 190 HB1 ALA 23 1HB ALA 23 3.580 -12.344 3.291 191 HB2 ALA 23 2HB ALA 23 2.244 -11.760 2.298 192 HB3 ALA 23 3HB ALA 23 3.893 -11.240 1.951 193 H ARG 24 HN ARG 24 2.089 -12.003 5.313 194 HA ARG 24 HA ARG 24 -0.664 -11.544 5.048 195 HB2 ARG 24 2HB ARG 24 0.034 -13.608 5.990 196 HB3 ARG 24 3HB ARG 24 0.977 -12.804 7.238 197 HG2 ARG 24 2HG ARG 24 -1.277 -11.862 8.040 198 HG3 ARG 24 3HG ARG 24 -1.990 -13.129 7.040 199 HD2 ARG 24 2HD ARG 24 0.163 -13.793 9.006 200 HD3 ARG 24 3HD ARG 24 -1.501 -13.590 9.551 201 HE ARG 24 HE ARG 24 -1.563 -15.331 7.393 202 HH11 ARG 24 2HH1 ARG 24 -0.212 -15.235 10.600 203 HH12 ARG 24 1HH1 ARG 24 -0.279 -16.952 10.821 204 HH21 ARG 24 2HH2 ARG 24 -1.656 -17.593 7.671 205 HH22 ARG 24 1HH2 ARG 24 -1.100 -18.292 9.154 206 H ARG 25 HN ARG 25 1.701 -10.260 7.348 207 HA ARG 25 HA ARG 25 -0.091 -8.887 9.010 208 HB2 ARG 25 2HB ARG 25 2.115 -9.169 9.808 209 HB3 ARG 25 3HB ARG 25 2.817 -8.469 8.355 210 HG2 ARG 25 2HG ARG 25 1.710 -6.295 9.039 211 HG3 ARG 25 3HG ARG 25 1.400 -7.065 10.597 212 HD2 ARG 25 2HD ARG 25 4.148 -6.963 9.388 213 HD3 ARG 25 3HD ARG 25 3.515 -5.646 10.374 214 HE ARG 25 HE ARG 25 4.479 -8.169 11.295 215 HH11 ARG 25 2HH1 ARG 25 2.214 -5.612 11.967 216 HH12 ARG 25 1HH1 ARG 25 2.163 -5.928 13.670 217 HH21 ARG 25 2HH2 ARG 25 4.421 -8.594 13.536 218 HH22 ARG 25 1HH2 ARG 25 3.419 -7.624 14.561 219 H ILE 26 HN ILE 26 1.462 -7.969 5.987 220 HA ILE 26 HA ILE 26 0.734 -5.239 6.028 221 HB ILE 26 HB ILE 26 1.455 -7.107 3.780 222 HG12 ILE 26 2HG1 ILE 26 2.917 -4.658 4.757 223 HG13 ILE 26 3HG1 ILE 26 3.151 -6.237 5.499 224 HG21 ILE 26 1HG2 ILE 26 0.119 -5.654 2.595 225 HG22 ILE 26 2HG2 ILE 26 0.465 -4.295 3.663 226 HG23 ILE 26 3HG2 ILE 26 1.680 -4.839 2.507 227 HD11 ILE 26 3HD1 ILE 26 3.492 -5.854 2.553 228 HD12 ILE 26 1HD1 ILE 26 4.790 -5.475 3.685 229 HD13 ILE 26 2HD1 ILE 26 4.147 -7.116 3.597 230 H LEU 27 HN LEU 27 -0.626 -7.829 3.981 231 HA LEU 27 HA LEU 27 -2.809 -6.517 2.994 232 HB2 LEU 27 2HB LEU 27 -2.394 -9.385 3.751 233 HB3 LEU 27 3HB LEU 27 -3.934 -8.841 3.087 234 HG LEU 27 HG LEU 27 -1.314 -8.447 1.658 235 HD11 LEU 27 1HD1 LEU 27 -3.232 -10.620 0.952 236 HD12 LEU 27 2HD1 LEU 27 -2.027 -10.891 2.210 237 HD13 LEU 27 3HD1 LEU 27 -1.516 -10.467 0.577 238 HD21 LEU 27 3HD2 LEU 27 -2.562 -7.306 0.224 239 HD22 LEU 27 1HD2 LEU 27 -3.995 -7.596 1.210 240 HD23 LEU 27 2HD2 LEU 27 -3.547 -8.743 -0.052 241 H ARG 28 HN ARG 28 -2.681 -8.362 6.035 242 HA ARG 28 HA ARG 28 -5.322 -7.948 6.833 243 HB2 ARG 28 2HB ARG 28 -3.520 -9.485 7.848 244 HB3 ARG 28 3HB ARG 28 -3.029 -8.074 8.776 245 HG2 ARG 28 2HG ARG 28 -4.457 -9.076 10.248 246 HG3 ARG 28 3HG ARG 28 -5.568 -7.990 9.411 247 HD2 ARG 28 2HD ARG 28 -5.886 -10.039 7.814 248 HD3 ARG 28 3HD ARG 28 -5.275 -10.953 9.193 249 HE ARG 28 HE ARG 28 -7.385 -9.181 9.931 250 HH11 ARG 28 2HH1 ARG 28 -6.695 -12.269 8.480 251 HH12 ARG 28 1HH1 ARG 28 -8.224 -12.960 8.912 252 HH21 ARG 28 2HH2 ARG 28 -9.401 -10.079 10.506 253 HH22 ARG 28 1HH2 ARG 28 -9.763 -11.713 10.064 254 H PHE 29 HN PHE 29 -2.406 -6.099 7.714 255 HA PHE 29 HA PHE 29 -3.517 -4.202 9.354 256 HB2 PHE 29 2HB PHE 29 -1.190 -4.113 9.162 257 HB3 PHE 29 3HB PHE 29 -1.239 -4.086 7.403 258 HD1 PHE 29 1HD PHE 29 -1.935 -2.066 10.425 259 HD2 PHE 29 2HD PHE 29 -1.226 -2.062 6.228 260 HE1 PHE 29 1HE PHE 29 -1.737 0.387 10.464 261 HE2 PHE 29 2HE PHE 29 -1.026 0.390 6.261 262 HZ PHE 29 HZ PHE 29 -1.281 1.618 8.380 263 H LEU 30 HN LEU 30 -3.595 -4.351 5.843 264 HA LEU 30 HA LEU 30 -4.919 -1.778 5.634 265 HB2 LEU 30 2HB LEU 30 -4.158 -3.853 3.590 266 HB3 LEU 30 3HB LEU 30 -4.999 -2.355 3.195 267 HG LEU 30 HG LEU 30 -2.341 -2.312 4.584 268 HD11 LEU 30 1HD1 LEU 30 -2.614 -3.589 2.209 269 HD12 LEU 30 2HD1 LEU 30 -1.163 -2.729 2.721 270 HD13 LEU 30 3HD1 LEU 30 -2.337 -1.931 1.674 271 HD21 LEU 30 3HD2 LEU 30 -2.702 -0.126 4.477 272 HD22 LEU 30 1HD2 LEU 30 -4.210 -0.383 3.599 273 HD23 LEU 30 2HD2 LEU 30 -2.690 -0.235 2.717 274 H ARG 31 HN ARG 31 -5.730 -5.157 5.680 275 HA ARG 31 HA ARG 31 -8.433 -4.703 4.724 276 HB2 ARG 31 2HB ARG 31 -6.895 -7.136 5.595 277 HB3 ARG 31 3HB ARG 31 -8.637 -7.199 5.359 278 HG2 ARG 31 2HG ARG 31 -8.375 -6.535 3.043 279 HG3 ARG 31 3HG ARG 31 -6.631 -6.383 3.267 280 HD2 ARG 31 2HD ARG 31 -6.339 -8.686 3.492 281 HD3 ARG 31 3HD ARG 31 -8.042 -8.960 3.853 282 HE ARG 31 HE ARG 31 -7.689 -7.908 1.235 283 HH11 ARG 31 2HH1 ARG 31 -7.433 -10.824 3.119 284 HH12 ARG 31 1HH1 ARG 31 -7.695 -11.875 1.767 285 HH21 ARG 31 2HH2 ARG 31 -8.035 -9.281 -0.553 286 HH22 ARG 31 1HH2 ARG 31 -8.036 -10.997 -0.321 287 H GLU 32 HN GLU 32 -6.829 -4.366 7.623 288 HA GLU 32 HA GLU 32 -9.290 -4.841 9.172 289 HB2 GLU 32 2HB GLU 32 -6.389 -5.078 9.910 290 HB3 GLU 32 3HB GLU 32 -7.607 -4.810 11.149 291 HG2 GLU 32 2HG GLU 32 -7.651 -7.095 9.194 292 HG3 GLU 32 3HG GLU 32 -6.992 -7.188 10.826 293 H ARG 33 HN ARG 33 -6.343 -2.848 9.459 294 HA ARG 33 HA ARG 33 -7.574 -0.803 10.943 295 HB2 ARG 33 2HB ARG 33 -5.152 -0.517 9.161 296 HB3 ARG 33 3HB ARG 33 -5.574 0.482 10.545 297 HG2 ARG 33 2HG ARG 33 -5.098 -2.454 10.864 298 HG3 ARG 33 3HG ARG 33 -3.754 -1.311 10.816 299 HD2 ARG 33 2HD ARG 33 -6.093 -1.020 12.687 300 HD3 ARG 33 3HD ARG 33 -4.630 -1.908 13.111 301 HE ARG 33 HE ARG 33 -4.946 0.948 12.956 302 HH11 ARG 33 2HH1 ARG 33 -2.692 -1.704 12.854 303 HH12 ARG 33 1HH1 ARG 33 -1.334 -0.738 13.327 304 HH21 ARG 33 2HH2 ARG 33 -3.165 2.230 13.579 305 HH22 ARG 33 1HH2 ARG 33 -1.604 1.499 13.740 306 H VAL 34 HN VAL 34 -6.308 -0.433 7.633 307 HA VAL 34 HA VAL 34 -7.714 1.877 7.011 308 HB VAL 34 HB VAL 34 -6.951 -0.263 5.024 309 HG11 VAL 34 1HG1 VAL 34 -8.306 1.398 3.996 310 HG12 VAL 34 2HG1 VAL 34 -7.424 2.702 4.794 311 HG13 VAL 34 3HG1 VAL 34 -6.637 1.741 3.541 312 HG21 VAL 34 3HG2 VAL 34 -5.290 1.864 6.352 313 HG22 VAL 34 1HG2 VAL 34 -4.989 0.128 6.275 314 HG23 VAL 34 2HG2 VAL 34 -4.830 1.115 4.823 315 H ALA 35 HN ALA 35 -8.566 -1.491 6.228 316 HA ALA 35 HA ALA 35 -10.841 -1.231 4.803 317 HB1 ALA 35 1HB ALA 35 -10.680 -3.123 7.138 318 HB2 ALA 35 2HB ALA 35 -11.560 -3.337 5.624 319 HB3 ALA 35 3HB ALA 35 -9.796 -3.366 5.630 320 H THR 36 HN THR 36 -10.508 -0.654 8.261 321 HA THR 36 HA THR 36 -13.345 -0.103 8.560 322 HB THR 36 HB THR 36 -12.954 0.111 10.889 323 HG1 THR 36 1HG THR 36 -10.668 0.095 11.629 324 HG21 THR 36 3HG2 THR 36 -11.627 -2.095 9.467 325 HG22 THR 36 1HG2 THR 36 -12.837 -2.137 10.749 326 HG23 THR 36 2HG2 THR 36 -11.137 -1.893 11.149 327 H LEU 37 HN LEU 37 -10.293 1.686 9.006 328 HA LEU 37 HA LEU 37 -11.081 4.146 9.704 329 HB2 LEU 37 2HB LEU 37 -9.137 3.456 7.510 330 HB3 LEU 37 3HB LEU 37 -9.304 5.068 8.203 331 HG LEU 37 HG LEU 37 -8.640 2.714 9.936 332 HD11 LEU 37 1HD1 LEU 37 -6.945 3.990 7.912 333 HD12 LEU 37 2HD1 LEU 37 -6.780 2.430 8.717 334 HD13 LEU 37 3HD1 LEU 37 -6.237 3.900 9.525 335 HD21 LEU 37 3HD2 LEU 37 -7.443 4.600 11.163 336 HD22 LEU 37 1HD2 LEU 37 -9.207 4.615 11.191 337 HD23 LEU 37 2HD2 LEU 37 -8.333 5.698 10.107 338 H GLU 38 HN GLU 38 -12.551 5.562 9.053 339 HA GLU 38 HA GLU 38 -14.186 5.225 6.824 340 HB2 GLU 38 2HB GLU 38 -13.595 7.787 8.317 341 HB3 GLU 38 3HB GLU 38 -14.969 7.514 7.255 342 HG2 GLU 38 2HG GLU 38 -15.858 5.853 8.746 343 HG3 GLU 38 3HG GLU 38 -14.427 5.955 9.770 344 H ASP 39 HN ASP 39 -11.119 6.832 7.158 345 HA ASP 39 HA ASP 39 -11.169 7.423 4.279 346 HB2 ASP 39 2HB ASP 39 -11.410 9.440 5.969 347 HB3 ASP 39 3HB ASP 39 -9.666 9.240 6.115 348 HA PRO 40 HA PRO 40 -7.443 5.047 4.328 349 HB2 PRO 40 2HB PRO 40 -6.602 5.658 1.820 350 HB3 PRO 40 3HB PRO 40 -7.932 4.538 2.141 351 HG2 PRO 40 2HG PRO 40 -8.034 7.425 1.355 352 HG3 PRO 40 3HG PRO 40 -9.015 6.070 0.767 353 HD2 PRO 40 2HD PRO 40 -9.920 7.828 2.617 354 HD3 PRO 40 3HD PRO 40 -10.413 6.122 2.598 355 H ARG 41 HN ARG 41 -7.614 8.459 3.973 356 HA ARG 41 HA ARG 41 -4.727 8.814 3.946 357 HB2 ARG 41 2HB ARG 41 -7.073 10.687 3.802 358 HB3 ARG 41 3HB ARG 41 -5.453 11.293 4.116 359 HG2 ARG 41 2HG ARG 41 -4.791 10.001 1.990 360 HG3 ARG 41 3HG ARG 41 -6.523 9.971 1.657 361 HD2 ARG 41 2HD ARG 41 -6.371 12.530 2.136 362 HD3 ARG 41 3HD ARG 41 -4.655 12.299 1.801 363 HE ARG 41 HE ARG 41 -5.171 12.151 -0.413 364 HH11 ARG 41 2HH1 ARG 41 -8.039 11.473 1.439 365 HH12 ARG 41 1HH1 ARG 41 -9.071 11.376 0.050 366 HH21 ARG 41 2HH2 ARG 41 -6.518 12.025 -2.250 367 HH22 ARG 41 1HH2 ARG 41 -8.204 11.688 -2.048 368 H SER 42 HN SER 42 -5.452 7.435 6.175 369 HA SER 42 HA SER 42 -5.206 9.441 8.321 370 HB2 SER 42 2HB SER 42 -6.243 7.686 9.812 371 HB3 SER 42 3HB SER 42 -7.324 8.344 8.584 372 HG SER 42 HG SER 42 -6.348 5.793 8.890 373 H LEU 43 HN LEU 43 -4.269 6.212 7.223 374 HA LEU 43 HA LEU 43 -2.105 6.166 9.197 375 HB2 LEU 43 2HB LEU 43 -3.407 4.077 7.492 376 HB3 LEU 43 3HB LEU 43 -1.824 3.793 8.213 377 HG LEU 43 HG LEU 43 -4.308 4.458 9.790 378 HD11 LEU 43 1HD1 LEU 43 -4.958 2.354 9.558 379 HD12 LEU 43 2HD1 LEU 43 -3.427 1.811 10.245 380 HD13 LEU 43 3HD1 LEU 43 -3.584 2.025 8.501 381 HD21 LEU 43 3HD2 LEU 43 -1.698 4.696 10.531 382 HD22 LEU 43 1HD2 LEU 43 -2.064 3.047 11.039 383 HD23 LEU 43 2HD2 LEU 43 -3.038 4.390 11.637 384 H GLY 44 HN GLY 44 -2.001 7.947 6.920 385 HA2 GLY 44 1HA GLY 44 0.595 7.133 5.911 386 HA3 GLY 44 2HA GLY 44 -0.663 7.277 4.692 387 H GLU 45 HN GLU 45 1.443 8.838 4.319 388 HA GLU 45 HA GLU 45 0.518 11.502 5.170 389 HB2 GLU 45 2HB GLU 45 2.757 12.277 5.337 390 HB3 GLU 45 3HB GLU 45 2.691 10.756 6.217 391 HG2 GLU 45 2HG GLU 45 4.616 10.450 5.053 392 HG3 GLU 45 3HG GLU 45 3.464 9.768 3.907 393 HA PRO 46 HA PRO 46 0.202 12.542 0.915 394 HB2 PRO 46 2HB PRO 46 0.648 15.217 1.033 395 HB3 PRO 46 3HB PRO 46 -0.848 14.467 1.602 396 HG2 PRO 46 2HG PRO 46 1.538 15.363 3.173 397 HG3 PRO 46 3HG PRO 46 -0.185 15.568 3.540 398 HD2 PRO 46 2HD PRO 46 1.332 13.647 4.696 399 HD3 PRO 46 3HD PRO 46 -0.396 13.423 4.355 400 H LEU 47 HN LEU 47 1.536 12.444 -0.788 401 HA LEU 47 HA LEU 47 4.368 13.117 -0.364 402 HB2 LEU 47 2HB LEU 47 3.442 10.758 -1.099 403 HB3 LEU 47 3HB LEU 47 3.442 11.510 -2.692 404 HG LEU 47 HG LEU 47 5.939 12.089 -2.008 405 HD11 LEU 47 1HD1 LEU 47 5.367 9.553 -0.481 406 HD12 LEU 47 2HD1 LEU 47 5.754 11.120 0.231 407 HD13 LEU 47 3HD1 LEU 47 6.955 10.275 -0.747 408 HD21 LEU 47 3HD2 LEU 47 4.866 10.570 -3.861 409 HD22 LEU 47 1HD2 LEU 47 5.462 9.266 -2.833 410 HD23 LEU 47 2HD2 LEU 47 6.586 10.459 -3.485 411 H ARG 48 HN ARG 48 4.685 15.160 -1.018 412 HA ARG 48 HA ARG 48 3.489 16.025 -3.559 413 HB2 ARG 48 2HB ARG 48 3.212 17.339 -1.340 414 HB3 ARG 48 3HB ARG 48 4.873 17.848 -1.613 415 HG2 ARG 48 2HG ARG 48 2.885 18.175 -3.806 416 HG3 ARG 48 3HG ARG 48 2.867 19.301 -2.447 417 HD2 ARG 48 2HD ARG 48 5.420 18.679 -3.881 418 HD3 ARG 48 3HD ARG 48 4.289 19.862 -4.537 419 HE ARG 48 HE ARG 48 4.690 20.549 -1.890 420 HH11 ARG 48 2HH1 ARG 48 6.616 20.232 -4.773 421 HH12 ARG 48 1HH1 ARG 48 7.756 21.448 -4.302 422 HH21 ARG 48 2HH2 ARG 48 6.185 22.152 -1.259 423 HH22 ARG 48 1HH2 ARG 48 7.511 22.539 -2.303 424 H GLY 49 HN GLY 49 4.877 15.312 -5.111 425 HA2 GLY 49 1HA GLY 49 7.622 16.386 -4.973 426 HA3 GLY 49 2HA GLY 49 7.323 14.736 -5.497 427 HA PRO 50 HA PRO 50 6.828 18.057 -8.959 428 HB2 PRO 50 2HB PRO 50 9.382 18.302 -9.847 429 HB3 PRO 50 3HB PRO 50 8.685 19.366 -8.619 430 HG2 PRO 50 2HG PRO 50 10.463 16.982 -8.273 431 HG3 PRO 50 3HG PRO 50 10.527 18.554 -7.455 432 HD2 PRO 50 2HD PRO 50 9.445 16.356 -6.303 433 HD3 PRO 50 3HD PRO 50 8.848 17.996 -5.978 434 H GLU 51 HN GLU 51 8.170 14.990 -8.441 435 HA GLU 51 HA GLU 51 8.229 14.382 -11.315 436 HB2 GLU 51 2HB GLU 51 10.223 13.830 -9.851 437 HB3 GLU 51 3HB GLU 51 9.211 12.623 -9.069 438 HG2 GLU 51 2HG GLU 51 10.453 11.454 -10.670 439 HG3 GLU 51 3HG GLU 51 8.846 11.637 -11.370 440 H LEU 52 HN LEU 52 7.122 12.939 -8.248 441 HA LEU 52 HA LEU 52 5.352 11.123 -9.599 442 HB2 LEU 52 2HB LEU 52 5.899 11.795 -6.732 443 HB3 LEU 52 3HB LEU 52 4.531 10.776 -7.174 444 HG LEU 52 HG LEU 52 7.295 10.074 -8.089 445 HD11 LEU 52 1HD1 LEU 52 7.388 8.602 -6.034 446 HD12 LEU 52 2HD1 LEU 52 6.105 9.612 -5.368 447 HD13 LEU 52 3HD1 LEU 52 7.666 10.325 -5.775 448 HD21 LEU 52 3HD2 LEU 52 4.642 8.795 -7.912 449 HD22 LEU 52 1HD2 LEU 52 6.025 7.775 -7.515 450 HD23 LEU 52 2HD2 LEU 52 5.939 8.570 -9.087 451 H GLY 53 HN GLY 53 4.523 13.393 -6.986 452 HA2 GLY 53 1HA GLY 53 2.990 15.278 -7.671 453 HA3 GLY 53 2HA GLY 53 2.058 14.030 -8.484 454 H ARG 54 HN ARG 54 0.755 12.652 -7.292 455 HA ARG 54 HA ARG 54 0.563 13.214 -4.411 456 HB2 ARG 54 2HB ARG 54 -1.667 13.125 -6.437 457 HB3 ARG 54 3HB ARG 54 -1.955 12.931 -4.714 458 HG2 ARG 54 2HG ARG 54 -1.284 15.123 -4.238 459 HG3 ARG 54 3HG ARG 54 -0.507 15.316 -5.812 460 HD2 ARG 54 2HD ARG 54 -3.430 14.747 -5.707 461 HD3 ARG 54 3HD ARG 54 -2.867 16.371 -5.316 462 HE ARG 54 HE ARG 54 -3.102 15.272 -7.891 463 HH11 ARG 54 2HH1 ARG 54 -0.917 17.188 -5.975 464 HH12 ARG 54 1HH1 ARG 54 -0.255 18.031 -7.337 465 HH21 ARG 54 2HH2 ARG 54 -2.238 16.375 -9.692 466 HH22 ARG 54 1HH2 ARG 54 -1.008 17.568 -9.450 467 H PHE 55 HN PHE 55 1.043 11.394 -3.384 468 HA PHE 55 HA PHE 55 -0.375 8.957 -4.028 469 HB2 PHE 55 2HB PHE 55 2.609 9.214 -4.344 470 HB3 PHE 55 3HB PHE 55 1.848 7.662 -4.008 471 HD1 PHE 55 1HD PHE 55 -0.467 7.519 -5.609 472 HD2 PHE 55 2HD PHE 55 3.262 9.352 -6.532 473 HE1 PHE 55 1HE PHE 55 -0.916 7.218 -8.010 474 HE2 PHE 55 2HE PHE 55 2.818 9.055 -8.933 475 HZ PHE 55 HZ PHE 55 0.726 7.987 -9.675 476 H TRP 56 HN TRP 56 -1.208 8.558 -2.082 477 HA TRP 56 HA TRP 56 -0.100 9.338 0.371 478 HB2 TRP 56 2HB TRP 56 -2.521 8.500 -0.307 479 HB3 TRP 56 3HB TRP 56 -1.890 6.951 0.246 480 HD1 TRP 56 1HD TRP 56 -2.247 6.492 2.734 481 HE1 TRP 56 1HE TRP 56 -2.696 7.916 4.830 482 HE3 TRP 56 3HE TRP 56 -1.909 11.145 0.642 483 HZ2 TRP 56 2HZ TRP 56 -2.884 10.650 5.507 484 HZ3 TRP 56 3HZ TRP 56 -2.238 13.112 2.083 485 HH2 TRP 56 2HH TRP 56 -2.715 12.868 4.465 486 H LYS 57 HN LYS 57 1.330 8.432 1.728 487 HA LYS 57 HA LYS 57 2.432 5.805 0.976 488 HB2 LYS 57 2HB LYS 57 3.878 7.971 0.926 489 HB3 LYS 57 3HB LYS 57 3.898 7.798 2.676 490 HG2 LYS 57 2HG LYS 57 4.641 5.340 2.078 491 HG3 LYS 57 3HG LYS 57 5.170 6.118 0.585 492 HD2 LYS 57 2HD LYS 57 5.949 6.978 3.371 493 HD3 LYS 57 3HD LYS 57 6.956 6.022 2.281 494 HE2 LYS 57 2HE LYS 57 7.772 8.128 1.878 495 HE3 LYS 57 3HE LYS 57 6.525 8.018 0.636 496 HZ1 LYS 57 3HZ LYS 57 6.660 10.100 2.146 497 HZ2 LYS 57 1HZ LYS 57 5.849 9.132 3.272 498 HZ3 LYS 57 2HZ LYS 57 5.148 9.445 1.765 499 H TYR 58 HN TYR 58 1.932 4.204 2.306 500 HA TYR 58 HA TYR 58 1.047 4.811 5.023 501 HB2 TYR 58 2HB TYR 58 0.921 2.254 3.412 502 HB3 TYR 58 3HB TYR 58 0.298 2.438 5.047 503 HD1 TYR 58 1HD TYR 58 -1.708 3.766 5.473 504 HD2 TYR 58 2HD TYR 58 -0.240 3.209 1.519 505 HE1 TYR 58 1HE TYR 58 -3.858 4.550 4.571 506 HE2 TYR 58 2HE TYR 58 -2.385 3.992 0.606 507 HH TYR 58 HH TYR 58 -4.709 5.570 2.466 508 H ARG 59 HN ARG 59 1.763 3.385 6.796 509 HA ARG 59 HA ARG 59 4.488 2.350 6.427 510 HB2 ARG 59 2HB ARG 59 5.262 3.407 8.437 511 HB3 ARG 59 3HB ARG 59 4.550 4.646 7.412 512 HG2 ARG 59 2HG ARG 59 2.411 4.237 8.801 513 HG3 ARG 59 3HG ARG 59 3.507 3.474 9.955 514 HD2 ARG 59 2HD ARG 59 3.208 5.781 10.566 515 HD3 ARG 59 3HD ARG 59 4.855 5.552 9.979 516 HE ARG 59 HE ARG 59 3.094 6.398 7.903 517 HH11 ARG 59 2HH1 ARG 59 4.946 7.515 10.631 518 HH12 ARG 59 1HH1 ARG 59 5.122 9.126 10.017 519 HH21 ARG 59 2HH2 ARG 59 3.320 8.514 7.084 520 HH22 ARG 59 1HH2 ARG 59 4.197 9.693 8.000 521 H VAL 60 HN VAL 60 4.756 0.375 7.238 522 HA VAL 60 HA VAL 60 2.903 -0.552 9.332 523 HB VAL 60 HB VAL 60 3.767 -2.011 6.843 524 HG11 VAL 60 1HG1 VAL 60 2.728 -4.021 7.763 525 HG12 VAL 60 2HG1 VAL 60 4.095 -3.501 8.751 526 HG13 VAL 60 3HG1 VAL 60 2.445 -3.183 9.288 527 HG21 VAL 60 3HG2 VAL 60 1.108 -2.441 7.166 528 HG22 VAL 60 1HG2 VAL 60 1.279 -0.833 7.869 529 HG23 VAL 60 2HG2 VAL 60 1.795 -1.130 6.209 530 H GLY 61 HN GLY 61 4.175 -0.641 11.091 531 HA2 GLY 61 1HA GLY 61 5.952 -1.155 12.459 532 HA3 GLY 61 2HA GLY 61 5.981 -2.660 11.552 533 H ASP 62 HN ASP 62 7.529 -2.986 9.990 534 HA ASP 62 HA ASP 62 9.551 -0.858 9.720 535 HB2 ASP 62 2HB ASP 62 10.042 -3.842 9.831 536 HB3 ASP 62 3HB ASP 62 11.274 -2.602 9.616 537 H TYR 63 HN TYR 63 7.337 -1.251 7.977 538 HA TYR 63 HA TYR 63 8.799 -1.728 5.497 539 HB2 TYR 63 2HB TYR 63 6.221 -3.128 6.226 540 HB3 TYR 63 3HB TYR 63 6.871 -3.059 4.592 541 HD1 TYR 63 1HD TYR 63 7.833 -4.093 8.047 542 HD2 TYR 63 2HD TYR 63 8.285 -4.748 3.867 543 HE1 TYR 63 1HE TYR 63 9.195 -6.088 8.513 544 HE2 TYR 63 2HE TYR 63 9.647 -6.745 4.322 545 HH TYR 63 HH TYR 63 10.330 -8.187 5.906 546 H ARG 64 HN ARG 64 8.177 -0.426 3.841 547 HA ARG 64 HA ARG 64 6.023 1.488 4.430 548 HB2 ARG 64 2HB ARG 64 8.441 1.746 2.636 549 HB3 ARG 64 3HB ARG 64 7.173 2.957 2.771 550 HG2 ARG 64 2HG ARG 64 8.711 2.021 5.167 551 HG3 ARG 64 3HG ARG 64 9.311 3.306 4.118 552 HD2 ARG 64 2HD ARG 64 6.515 3.487 5.116 553 HD3 ARG 64 3HD ARG 64 7.827 3.821 6.246 554 HE ARG 64 HE ARG 64 6.936 5.492 4.110 555 HH11 ARG 64 2HH1 ARG 64 9.722 4.573 5.984 556 HH12 ARG 64 1HH1 ARG 64 10.552 6.072 5.727 557 HH21 ARG 64 2HH2 ARG 64 8.018 7.469 3.764 558 HH22 ARG 64 1HH2 ARG 64 9.581 7.719 4.464 559 H LEU 65 HN LEU 65 4.315 1.678 3.099 560 HA LEU 65 HA LEU 65 4.381 0.197 0.554 561 HB2 LEU 65 2HB LEU 65 1.896 0.485 2.205 562 HB3 LEU 65 3HB LEU 65 2.224 -0.644 0.891 563 HG LEU 65 HG LEU 65 3.637 -0.789 3.544 564 HD11 LEU 65 1HD1 LEU 65 1.346 -2.564 2.829 565 HD12 LEU 65 2HD1 LEU 65 1.043 -0.992 3.568 566 HD13 LEU 65 3HD1 LEU 65 2.027 -2.187 4.412 567 HD21 LEU 65 3HD2 LEU 65 3.531 -2.407 1.068 568 HD22 LEU 65 1HD2 LEU 65 3.588 -3.281 2.598 569 HD23 LEU 65 2HD2 LEU 65 4.863 -2.134 2.191 570 H ILE 66 HN ILE 66 3.706 1.279 -1.199 571 HA ILE 66 HA ILE 66 2.458 3.915 -0.775 572 HB ILE 66 HB ILE 66 4.043 3.174 -3.220 573 HG12 ILE 66 2HG1 ILE 66 5.030 4.299 -0.599 574 HG13 ILE 66 3HG1 ILE 66 5.614 2.875 -1.452 575 HG21 ILE 66 1HG2 ILE 66 3.891 5.929 -2.159 576 HG22 ILE 66 2HG2 ILE 66 3.853 5.348 -3.823 577 HG23 ILE 66 3HG2 ILE 66 2.405 5.250 -2.822 578 HD11 ILE 66 3HD1 ILE 66 5.882 5.109 -3.177 579 HD12 ILE 66 1HD1 ILE 66 6.555 5.533 -1.603 580 HD13 ILE 66 2HD1 ILE 66 7.143 4.107 -2.458 581 H CYS 67 HN CYS 67 0.340 3.668 -1.145 582 HA CYS 67 HA CYS 67 -0.486 2.155 -3.532 583 HB2 CYS 67 2HB CYS 67 -2.325 2.879 -1.264 584 HB3 CYS 67 3HB CYS 67 -2.509 1.605 -2.465 585 HG CYS 67 HG CYS 67 -0.593 1.616 0.342 586 H HIS 68 HN HIS 68 -2.388 2.981 -4.682 587 HA HIS 68 HA HIS 68 -2.336 5.915 -4.772 588 HB2 HIS 68 2HB HIS 68 -1.733 4.695 -6.848 589 HB3 HIS 68 3HB HIS 68 -3.337 3.968 -6.859 590 HD2 HIS 68 2HD HIS 68 -4.118 7.414 -5.894 591 HE1 HIS 68 1HE HIS 68 -3.847 7.584 -10.125 592 HE2 HIS 68 2HE HIS 68 -4.541 8.805 -8.034 593 H ILE 69 HN ILE 69 -3.967 6.933 -3.832 594 HA ILE 69 HA ILE 69 -6.447 5.536 -3.268 595 HB ILE 69 HB ILE 69 -5.600 8.348 -2.560 596 HG12 ILE 69 2HG1 ILE 69 -5.687 5.839 -0.869 597 HG13 ILE 69 3HG1 ILE 69 -4.224 6.582 -1.507 598 HG21 ILE 69 1HG2 ILE 69 -8.135 7.554 -2.700 599 HG22 ILE 69 2HG2 ILE 69 -7.750 6.929 -1.097 600 HG23 ILE 69 3HG2 ILE 69 -7.556 8.647 -1.443 601 HD11 ILE 69 3HD1 ILE 69 -4.414 7.227 0.758 602 HD12 ILE 69 1HD1 ILE 69 -4.829 8.640 -0.212 603 HD13 ILE 69 2HD1 ILE 69 -6.103 7.692 0.555 604 H GLN 70 HN GLN 70 -8.077 5.538 -4.656 605 HA GLN 70 HA GLN 70 -8.307 7.748 -6.578 606 HB2 GLN 70 2HB GLN 70 -9.154 4.872 -6.640 607 HB3 GLN 70 3HB GLN 70 -9.954 6.048 -7.675 608 HG2 GLN 70 2HG GLN 70 -7.631 6.673 -8.494 609 HG3 GLN 70 3HG GLN 70 -7.078 5.204 -7.692 610 HE21 GLN 70 1HE2 GLN 70 -6.460 4.899 -10.054 611 HE22 GLN 70 2HE2 GLN 70 -7.602 4.053 -11.036 612 H ASP 71 HN ASP 71 -9.484 9.274 -5.517 613 HA ASP 71 HA ASP 71 -11.578 8.863 -3.738 614 HB2 ASP 71 2HB ASP 71 -10.711 11.132 -5.466 615 HB3 ASP 71 3HB ASP 71 -12.312 11.221 -4.738 616 H ARG 72 HN ARG 72 -11.654 9.232 -7.260 617 HA ARG 72 HA ARG 72 -14.224 9.490 -7.916 618 HB2 ARG 72 2HB ARG 72 -12.154 8.797 -9.365 619 HB3 ARG 72 3HB ARG 72 -12.789 7.171 -9.154 620 HG2 ARG 72 2HG ARG 72 -14.637 9.306 -10.083 621 HG3 ARG 72 3HG ARG 72 -13.460 8.644 -11.219 622 HD2 ARG 72 2HD ARG 72 -14.340 6.347 -10.364 623 HD3 ARG 72 3HD ARG 72 -15.736 7.286 -9.836 624 HE ARG 72 HE ARG 72 -15.084 6.539 -12.511 625 HH11 ARG 72 2HH1 ARG 72 -16.605 9.002 -10.577 626 HH12 ARG 72 1HH1 ARG 72 -17.654 9.537 -11.848 627 HH21 ARG 72 2HH2 ARG 72 -16.460 7.234 -14.193 628 HH22 ARG 72 1HH2 ARG 72 -17.571 8.530 -13.904 629 H GLU 73 HN GLU 73 -12.846 6.295 -7.116 630 HA GLU 73 HA GLU 73 -15.538 5.469 -6.250 631 HB2 GLU 73 2HB GLU 73 -13.492 4.008 -7.882 632 HB3 GLU 73 3HB GLU 73 -14.618 3.104 -6.879 633 HG2 GLU 73 2HG GLU 73 -15.539 5.139 -8.880 634 HG3 GLU 73 3HG GLU 73 -15.250 3.454 -9.309 635 H ALA 74 HN ALA 74 -13.293 6.624 -4.723 636 HA ALA 74 HA ALA 74 -11.941 6.188 -2.904 637 HB1 ALA 74 1HB ALA 74 -14.699 5.293 -2.383 638 HB2 ALA 74 2HB ALA 74 -13.484 4.757 -1.222 639 HB3 ALA 74 3HB ALA 74 -13.707 6.479 -1.533 640 H THR 75 HN THR 75 -10.984 4.548 -4.748 641 HA THR 75 HA THR 75 -10.774 1.919 -3.429 642 HB THR 75 HB THR 75 -10.421 2.600 -6.353 643 HG1 THR 75 1HG THR 75 -12.198 0.901 -6.348 644 HG21 THR 75 3HG2 THR 75 -10.315 -0.155 -5.157 645 HG22 THR 75 1HG2 THR 75 -8.862 0.824 -5.356 646 HG23 THR 75 2HG2 THR 75 -9.818 0.368 -6.766 647 H VAL 76 HN VAL 76 -8.815 1.222 -2.798 648 HA VAL 76 HA VAL 76 -6.508 2.945 -3.410 649 HB VAL 76 HB VAL 76 -6.942 1.082 -1.072 650 HG11 VAL 76 1HG1 VAL 76 -4.562 1.348 -1.981 651 HG12 VAL 76 2HG1 VAL 76 -4.662 3.008 -1.388 652 HG13 VAL 76 3HG1 VAL 76 -4.824 1.657 -0.265 653 HG21 VAL 76 3HG2 VAL 76 -6.456 3.738 -0.258 654 HG22 VAL 76 1HG2 VAL 76 -7.676 3.805 -1.531 655 HG23 VAL 76 2HG2 VAL 76 -7.947 2.809 -0.101 656 H LEU 77 HN LEU 77 -5.152 2.147 -4.863 657 HA LEU 77 HA LEU 77 -4.833 -0.777 -5.040 658 HB2 LEU 77 2HB LEU 77 -5.755 0.027 -7.069 659 HB3 LEU 77 3HB LEU 77 -4.620 1.374 -7.130 660 HG LEU 77 HG LEU 77 -2.868 -0.629 -7.275 661 HD11 LEU 77 1HD1 LEU 77 -5.461 -1.856 -7.774 662 HD12 LEU 77 2HD1 LEU 77 -3.897 -2.600 -7.448 663 HD13 LEU 77 3HD1 LEU 77 -4.310 -2.101 -9.088 664 HD21 LEU 77 3HD2 LEU 77 -4.378 0.066 -9.762 665 HD22 LEU 77 1HD2 LEU 77 -2.640 -0.109 -9.518 666 HD23 LEU 77 2HD2 LEU 77 -3.480 1.308 -8.887 667 H VAL 78 HN VAL 78 -3.009 -1.436 -4.128 668 HA VAL 78 HA VAL 78 -0.857 0.168 -3.389 669 HB VAL 78 HB VAL 78 -0.720 -2.788 -3.992 670 HG11 VAL 78 1HG1 VAL 78 1.397 -1.357 -3.562 671 HG12 VAL 78 2HG1 VAL 78 0.842 -1.343 -1.887 672 HG13 VAL 78 3HG1 VAL 78 1.194 -2.875 -2.688 673 HG21 VAL 78 3HG2 VAL 78 -2.157 -3.110 -2.327 674 HG22 VAL 78 1HG2 VAL 78 -1.007 -2.343 -1.231 675 HG23 VAL 78 2HG2 VAL 78 -2.251 -1.375 -2.023 676 H LEU 79 HN LEU 79 0.992 0.812 -4.354 677 HA LEU 79 HA LEU 79 1.308 0.139 -7.197 678 HB2 LEU 79 2HB LEU 79 1.881 2.545 -5.560 679 HB3 LEU 79 3HB LEU 79 2.963 2.206 -6.909 680 HG LEU 79 HG LEU 79 -0.025 2.500 -7.184 681 HD11 LEU 79 1HD1 LEU 79 0.323 4.727 -7.932 682 HD12 LEU 79 2HD1 LEU 79 2.075 4.546 -7.863 683 HD13 LEU 79 3HD1 LEU 79 1.133 4.572 -6.373 684 HD21 LEU 79 3HD2 LEU 79 2.182 2.543 -9.240 685 HD22 LEU 79 1HD2 LEU 79 0.452 2.689 -9.548 686 HD23 LEU 79 2HD2 LEU 79 1.112 1.176 -8.926 687 H ARG 80 HN ARG 80 3.305 0.831 -4.322 688 HA ARG 80 HA ARG 80 5.170 -1.252 -5.218 689 HB2 ARG 80 2HB ARG 80 6.060 0.983 -5.851 690 HB3 ARG 80 3HB ARG 80 6.016 1.448 -4.155 691 HG2 ARG 80 2HG ARG 80 8.203 0.836 -4.363 692 HG3 ARG 80 3HG ARG 80 7.494 -0.699 -3.856 693 HD2 ARG 80 2HD ARG 80 7.893 0.067 -6.740 694 HD3 ARG 80 3HD ARG 80 9.097 -0.815 -5.801 695 HE ARG 80 HE ARG 80 6.786 -2.247 -5.500 696 HH11 ARG 80 2HH1 ARG 80 8.698 -1.161 -8.199 697 HH12 ARG 80 1HH1 ARG 80 8.268 -2.501 -9.210 698 HH21 ARG 80 2HH2 ARG 80 6.213 -4.016 -6.822 699 HH22 ARG 80 1HH2 ARG 80 6.854 -4.124 -8.426 700 H VAL 81 HN VAL 81 6.062 -2.480 -3.613 701 HA VAL 81 HA VAL 81 5.441 -1.745 -0.833 702 HB VAL 81 HB VAL 81 5.081 -4.493 -2.039 703 HG11 VAL 81 1HG1 VAL 81 5.474 -3.596 0.691 704 HG12 VAL 81 2HG1 VAL 81 3.949 -4.461 0.487 705 HG13 VAL 81 3HG1 VAL 81 5.469 -5.230 0.028 706 HG21 VAL 81 3HG2 VAL 81 2.731 -4.202 -1.619 707 HG22 VAL 81 1HG2 VAL 81 3.019 -2.637 -0.857 708 HG23 VAL 81 2HG2 VAL 81 3.303 -2.842 -2.586 709 H GLY 82 HN GLY 82 7.297 -1.544 0.225 710 HA2 GLY 82 1HA GLY 82 9.252 -3.672 0.156 711 HA3 GLY 82 2HA GLY 82 9.817 -2.163 -0.546 712 H HIS 83 HN HIS 83 10.912 -3.458 1.749 713 HA HIS 83 HA HIS 83 10.088 -2.553 4.213 714 HB2 HIS 83 2HB HIS 83 12.050 -4.098 3.635 715 HB3 HIS 83 3HB HIS 83 12.998 -2.628 3.431 716 HD2 HIS 83 2HD HIS 83 11.644 -4.891 6.242 717 HE1 HIS 83 1HE HIS 83 13.581 -1.588 8.069 718 HE2 HIS 83 2HE HIS 83 12.610 -3.885 8.421 719 H ALA 84 HN ALA 84 11.058 -0.840 5.583 720 HA ALA 84 HA ALA 84 10.589 1.699 4.560 721 HB1 ALA 84 1HB ALA 84 10.466 1.486 6.882 722 HB2 ALA 84 2HB ALA 84 12.065 0.749 6.992 723 HB3 ALA 84 3HB ALA 84 11.909 2.465 6.618 724 H ARG 85 HN ARG 85 13.569 -0.153 4.729 725 HA ARG 85 HA ARG 85 15.096 2.095 3.650 726 HB2 ARG 85 2HB ARG 85 17.050 0.921 4.236 727 HB3 ARG 85 3HB ARG 85 15.931 0.618 5.559 728 HG2 ARG 85 2HG ARG 85 16.809 -1.472 5.191 729 HG3 ARG 85 3HG ARG 85 15.338 -1.525 4.217 730 HD2 ARG 85 2HD ARG 85 16.494 -1.374 2.225 731 HD3 ARG 85 3HD ARG 85 17.891 -0.605 2.976 732 HE ARG 85 HE ARG 85 18.780 -2.679 3.259 733 HH11 ARG 85 2HH1 ARG 85 15.322 -2.995 3.007 734 HH12 ARG 85 1HH1 ARG 85 15.345 -4.726 3.070 735 HH21 ARG 85 2HH2 ARG 85 18.823 -4.958 3.342 736 HH22 ARG 85 1HH2 ARG 85 17.336 -5.842 3.261 737 H ASP 86 HN ASP 86 13.444 -0.673 2.605 738 HA ASP 86 HA ASP 86 15.054 -1.320 0.339 739 HB2 ASP 86 2HB ASP 86 13.481 -2.928 1.372 740 HB3 ASP 86 3HB ASP 86 12.132 -1.925 0.844 741 H VAL 87 HN VAL 87 11.848 0.233 0.580 742 HA VAL 87 HA VAL 87 11.495 0.979 -2.029 743 HB VAL 87 HB VAL 87 10.765 2.617 0.403 744 HG11 VAL 87 1HG1 VAL 87 9.237 2.691 -2.152 745 HG12 VAL 87 2HG1 VAL 87 9.399 3.921 -0.897 746 HG13 VAL 87 3HG1 VAL 87 10.725 3.628 -2.023 747 HG21 VAL 87 3HG2 VAL 87 9.042 1.232 0.770 748 HG22 VAL 87 1HG2 VAL 87 8.684 1.076 -0.950 749 HG23 VAL 87 2HG2 VAL 87 9.941 0.080 -0.217 750 H TYR 88 HN TYR 88 13.017 2.999 0.488 751 HA TYR 88 HA TYR 88 14.484 4.387 -1.657 752 HB2 TYR 88 2HB TYR 88 13.047 5.501 0.728 753 HB3 TYR 88 3HB TYR 88 14.438 6.354 0.067 754 HD1 TYR 88 1HD TYR 88 14.339 6.668 -2.582 755 HD2 TYR 88 2HD TYR 88 10.961 6.082 -0.062 756 HE1 TYR 88 1HE TYR 88 12.898 7.709 -4.282 757 HE2 TYR 88 2HE TYR 88 9.510 7.120 -1.756 758 HH TYR 88 HH TYR 88 10.304 9.011 -3.947 759 H ARG 89 HN ARG 89 16.315 3.104 -1.397 760 HA ARG 89 HA ARG 89 17.605 2.173 0.757 761 HB2 ARG 89 2HB ARG 89 18.746 3.529 -1.674 762 HB3 ARG 89 3HB ARG 89 19.787 2.825 -0.444 763 HG2 ARG 89 2HG ARG 89 18.979 0.650 -0.863 764 HG3 ARG 89 3HG ARG 89 17.629 1.258 -1.824 765 HD2 ARG 89 2HD ARG 89 20.410 1.894 -2.683 766 HD3 ARG 89 3HD ARG 89 19.785 0.270 -2.967 767 HE ARG 89 HE ARG 89 19.082 2.648 -4.376 768 HH11 ARG 89 2HH1 ARG 89 17.870 -0.431 -3.293 769 HH12 ARG 89 1HH1 ARG 89 16.678 -0.549 -4.545 770 HH21 ARG 89 2HH2 ARG 89 17.516 2.504 -6.028 771 HH22 ARG 89 1HH2 ARG 89 16.478 1.121 -6.100 Start of MODEL 10 1 H1 MET 1 HN MET 1 -18.661 2.944 6.928 2 HA MET 1 HA MET 1 -18.471 3.259 4.021 3 HB2 MET 1 2HB MET 1 -18.754 5.188 5.806 4 HB3 MET 1 3HB MET 1 -17.007 5.027 5.933 5 HG2 MET 1 2HG MET 1 -17.179 6.651 4.339 6 HG3 MET 1 3HG MET 1 -17.092 5.206 3.333 7 HE1 MET 1 3HE MET 1 -20.260 7.926 4.566 8 HE2 MET 1 1HE MET 1 -18.535 8.201 4.317 9 HE3 MET 1 2HE MET 1 -19.675 8.507 3.006 10 H GLY 2 HN GLY 2 -17.052 1.873 3.152 11 HA2 GLY 2 1HA GLY 2 -14.323 1.877 4.239 12 HA3 GLY 2 2HA GLY 2 -15.125 0.335 3.983 13 H TYR 3 HN TYR 3 -12.706 1.647 2.751 14 HA TYR 3 HA TYR 3 -13.529 1.866 -0.041 15 HB2 TYR 3 2HB TYR 3 -10.970 2.459 1.427 16 HB3 TYR 3 3HB TYR 3 -11.017 2.374 -0.330 17 HD1 TYR 3 2HD TYR 3 -13.438 3.811 2.123 18 HD2 TYR 3 1HD TYR 3 -10.793 4.537 -1.130 19 HE1 TYR 3 2HE TYR 3 -14.195 6.150 2.037 20 HE2 TYR 3 1HE TYR 3 -11.542 6.878 -1.225 21 HH TYR 3 HH TYR 3 -13.987 8.064 -0.347 22 H ARG 4 HN ARG 4 -12.308 0.700 -1.703 23 HA ARG 4 HA ARG 4 -12.050 -2.087 -0.990 24 HB2 ARG 4 2HB ARG 4 -13.153 -1.212 -3.106 25 HB3 ARG 4 3HB ARG 4 -11.535 -0.846 -3.690 26 HG2 ARG 4 2HG ARG 4 -11.824 -2.898 -4.620 27 HG3 ARG 4 3HG ARG 4 -11.119 -3.378 -3.075 28 HD2 ARG 4 2HD ARG 4 -13.304 -3.846 -2.172 29 HD3 ARG 4 3HD ARG 4 -14.078 -3.222 -3.629 30 HE ARG 4 HE ARG 4 -12.295 -5.358 -4.224 31 HH11 ARG 4 2HH1 ARG 4 -15.464 -4.640 -2.974 32 HH12 ARG 4 1HH1 ARG 4 -16.138 -6.166 -3.444 33 HH21 ARG 4 2HH2 ARG 4 -13.171 -7.370 -4.848 34 HH22 ARG 4 1HH2 ARG 4 -14.832 -7.718 -4.509 35 H ILE 5 HN ILE 5 -10.201 -3.381 -1.379 36 HA ILE 5 HA ILE 5 -7.674 -1.864 -1.338 37 HB ILE 5 HB ILE 5 -8.112 -4.615 -0.182 38 HG12 ILE 5 2HG1 ILE 5 -9.474 -2.862 0.972 39 HG13 ILE 5 3HG1 ILE 5 -8.250 -3.598 2.001 40 HG21 ILE 5 1HG2 ILE 5 -5.892 -2.642 0.317 41 HG22 ILE 5 2HG2 ILE 5 -5.981 -4.319 0.854 42 HG23 ILE 5 3HG2 ILE 5 -5.801 -3.951 -0.861 43 HD11 ILE 5 3HD1 ILE 5 -7.782 -1.008 0.565 44 HD12 ILE 5 1HD1 ILE 5 -8.539 -1.088 2.155 45 HD13 ILE 5 2HD1 ILE 5 -6.895 -1.687 1.929 46 H GLU 6 HN GLU 6 -6.745 -1.969 -3.278 47 HA GLU 6 HA GLU 6 -6.741 -4.560 -4.681 48 HB2 GLU 6 2HB GLU 6 -7.062 -1.769 -5.658 49 HB3 GLU 6 3HB GLU 6 -6.162 -2.883 -6.678 50 HG2 GLU 6 2HG GLU 6 -8.905 -3.495 -5.621 51 HG3 GLU 6 3HG GLU 6 -8.624 -2.673 -7.154 52 H PHE 7 HN PHE 7 -4.824 -4.922 -6.078 53 HA PHE 7 HA PHE 7 -2.407 -3.568 -5.118 54 HB2 PHE 7 2HB PHE 7 -2.997 -6.509 -5.012 55 HB3 PHE 7 3HB PHE 7 -1.338 -5.945 -5.185 56 HD1 PHE 7 1HD PHE 7 -4.351 -5.532 -3.045 57 HD2 PHE 7 2HD PHE 7 -0.105 -5.403 -3.306 58 HE1 PHE 7 1HE PHE 7 -4.214 -5.207 -0.609 59 HE2 PHE 7 2HE PHE 7 0.039 -5.079 -0.871 60 HZ PHE 7 HZ PHE 7 -2.017 -4.982 0.480 61 H ASP 8 HN ASP 8 -1.105 -2.987 -6.727 62 HA ASP 8 HA ASP 8 -1.738 -3.325 -9.413 63 HB2 ASP 8 2HB ASP 8 0.631 -2.361 -7.908 64 HB3 ASP 8 3HB ASP 8 0.894 -2.804 -9.593 65 HA PRO 9 HA PRO 9 -0.184 -7.222 -10.690 66 HB2 PRO 9 2HB PRO 9 0.992 -6.659 -13.071 67 HB3 PRO 9 3HB PRO 9 -0.760 -6.654 -12.840 68 HG2 PRO 9 2HG PRO 9 1.151 -4.350 -12.884 69 HG3 PRO 9 3HG PRO 9 -0.450 -4.490 -13.634 70 HD2 PRO 9 2HD PRO 9 -0.043 -3.172 -11.304 71 HD3 PRO 9 3HD PRO 9 -1.552 -4.035 -11.662 72 H ARG 10 HN ARG 10 1.987 -4.643 -10.111 73 HA ARG 10 HA ARG 10 4.350 -6.334 -10.437 74 HB2 ARG 10 2HB ARG 10 4.007 -3.390 -9.869 75 HB3 ARG 10 3HB ARG 10 5.570 -4.196 -9.833 76 HG2 ARG 10 2HG ARG 10 5.052 -4.939 -12.216 77 HG3 ARG 10 3HG ARG 10 3.755 -3.744 -12.175 78 HD2 ARG 10 2HD ARG 10 5.245 -1.960 -11.952 79 HD3 ARG 10 3HD ARG 10 6.562 -3.009 -11.428 80 HE ARG 10 HE ARG 10 5.904 -2.316 -14.102 81 HH11 ARG 10 2HH1 ARG 10 7.118 -4.917 -12.131 82 HH12 ARG 10 1HH1 ARG 10 8.014 -5.649 -13.420 83 HH21 ARG 10 2HH2 ARG 10 7.080 -3.271 -15.807 84 HH22 ARG 10 1HH2 ARG 10 7.993 -4.712 -15.511 85 H ALA 11 HN ALA 11 2.782 -4.336 -7.944 86 HA ALA 11 HA ALA 11 4.489 -5.028 -5.829 87 HB1 ALA 11 1HB ALA 11 2.086 -3.531 -6.173 88 HB2 ALA 11 2HB ALA 11 1.914 -4.579 -4.764 89 HB3 ALA 11 3HB ALA 11 3.266 -3.451 -4.864 90 H GLU 12 HN GLU 12 1.463 -6.494 -6.952 91 HA GLU 12 HA GLU 12 0.910 -8.292 -4.987 92 HB2 GLU 12 2HB GLU 12 0.620 -8.358 -7.947 93 HB3 GLU 12 3HB GLU 12 0.372 -9.865 -7.076 94 HG2 GLU 12 2HG GLU 12 -1.178 -8.354 -5.581 95 HG3 GLU 12 3HG GLU 12 -1.226 -7.363 -7.038 96 H LYS 13 HN LYS 13 3.233 -8.781 -7.635 97 HA LYS 13 HA LYS 13 4.083 -11.341 -6.754 98 HB2 LYS 13 2HB LYS 13 5.332 -9.310 -8.604 99 HB3 LYS 13 3HB LYS 13 6.049 -10.885 -8.290 100 HG2 LYS 13 2HG LYS 13 3.606 -11.688 -8.974 101 HG3 LYS 13 3HG LYS 13 3.654 -10.167 -9.869 102 HD2 LYS 13 2HD LYS 13 5.740 -10.869 -10.943 103 HD3 LYS 13 3HD LYS 13 5.692 -12.388 -10.045 104 HE2 LYS 13 2HE LYS 13 3.468 -12.837 -11.118 105 HE3 LYS 13 3HE LYS 13 3.748 -11.426 -12.137 106 HZ1 LYS 13 3HZ LYS 13 5.220 -12.527 -13.393 107 HZ2 LYS 13 1HZ LYS 13 4.488 -13.920 -12.771 108 HZ3 LYS 13 2HZ LYS 13 5.918 -13.336 -12.082 109 H GLU 14 HN GLU 14 5.480 -8.090 -6.410 110 HA GLU 14 HA GLU 14 7.791 -8.819 -5.021 111 HB2 GLU 14 2HB GLU 14 6.166 -6.276 -4.862 112 HB3 GLU 14 3HB GLU 14 7.773 -6.471 -4.175 113 HG2 GLU 14 2HG GLU 14 8.732 -6.790 -6.343 114 HG3 GLU 14 3HG GLU 14 7.137 -6.823 -7.093 115 H LEU 15 HN LEU 15 4.496 -8.503 -3.959 116 HA LEU 15 HA LEU 15 5.064 -8.374 -1.164 117 HB2 LEU 15 2HB LEU 15 2.945 -7.622 -2.318 118 HB3 LEU 15 3HB LEU 15 2.513 -9.325 -2.445 119 HG LEU 15 HG LEU 15 1.331 -8.557 -0.584 120 HD11 LEU 15 1HD1 LEU 15 2.764 -10.626 -0.240 121 HD12 LEU 15 2HD1 LEU 15 2.162 -9.825 1.210 122 HD13 LEU 15 3HD1 LEU 15 3.836 -9.595 0.707 123 HD21 LEU 15 3HD2 LEU 15 3.846 -7.204 0.386 124 HD22 LEU 15 1HD2 LEU 15 2.272 -7.185 1.181 125 HD23 LEU 15 2HD2 LEU 15 2.479 -6.395 -0.382 126 H GLU 16 HN GLU 16 3.789 -10.977 -3.244 127 HA GLU 16 HA GLU 16 3.705 -13.007 -1.376 128 HB2 GLU 16 2HB GLU 16 4.046 -12.921 -4.334 129 HB3 GLU 16 3HB GLU 16 4.352 -14.448 -3.520 130 HG2 GLU 16 2HG GLU 16 1.838 -13.001 -2.889 131 HG3 GLU 16 3HG GLU 16 1.969 -13.820 -4.444 132 H LYS 17 HN LYS 17 6.454 -11.783 -3.194 133 HA LYS 17 HA LYS 17 8.286 -13.824 -2.552 134 HB2 LYS 17 2HB LYS 17 8.474 -11.023 -3.537 135 HB3 LYS 17 3HB LYS 17 9.932 -11.740 -2.863 136 HG2 LYS 17 2HG LYS 17 10.150 -13.242 -4.561 137 HG3 LYS 17 3HG LYS 17 8.414 -13.311 -4.872 138 HD2 LYS 17 2HD LYS 17 9.170 -12.155 -6.719 139 HD3 LYS 17 3HD LYS 17 8.738 -10.834 -5.630 140 HE2 LYS 17 2HE LYS 17 10.970 -10.386 -5.104 141 HE3 LYS 17 3HE LYS 17 11.518 -11.957 -5.685 142 HZ1 LYS 17 3HZ LYS 17 11.749 -11.178 -7.744 143 HZ2 LYS 17 1HZ LYS 17 11.619 -9.629 -7.077 144 HZ3 LYS 17 2HZ LYS 17 10.254 -10.388 -7.725 145 H LEU 18 HN LEU 18 7.460 -10.791 -0.929 146 HA LEU 18 HA LEU 18 9.413 -10.675 1.003 147 HB2 LEU 18 2HB LEU 18 6.493 -9.973 1.136 148 HB3 LEU 18 3HB LEU 18 7.610 -9.633 2.455 149 HG LEU 18 HG LEU 18 8.101 -8.585 -0.315 150 HD11 LEU 18 1HD1 LEU 18 6.723 -6.799 -0.046 151 HD12 LEU 18 2HD1 LEU 18 6.813 -6.849 1.714 152 HD13 LEU 18 3HD1 LEU 18 5.790 -7.997 0.851 153 HD21 LEU 18 3HD2 LEU 18 9.391 -8.413 2.250 154 HD22 LEU 18 1HD2 LEU 18 8.922 -6.809 1.685 155 HD23 LEU 18 2HD2 LEU 18 9.942 -7.836 0.676 156 H ASP 19 HN ASP 19 8.869 -11.014 3.457 157 HA ASP 19 HA ASP 19 8.906 -13.765 3.953 158 HB2 ASP 19 2HB ASP 19 9.707 -11.771 5.422 159 HB3 ASP 19 3HB ASP 19 8.063 -11.792 6.053 160 H ARG 20 HN ARG 20 7.388 -15.025 5.260 161 HA ARG 20 HA ARG 20 4.779 -14.960 4.161 162 HB2 ARG 20 2HB ARG 20 5.690 -17.075 4.792 163 HB3 ARG 20 3HB ARG 20 5.986 -16.528 6.437 164 HG2 ARG 20 2HG ARG 20 4.104 -17.777 6.748 165 HG3 ARG 20 3HG ARG 20 3.384 -16.193 6.455 166 HD2 ARG 20 2HD ARG 20 2.136 -17.532 5.056 167 HD3 ARG 20 3HD ARG 20 3.396 -16.959 3.964 168 HE ARG 20 HE ARG 20 4.231 -19.367 5.141 169 HH11 ARG 20 2HH1 ARG 20 1.885 -18.167 2.866 170 HH12 ARG 20 1HH1 ARG 20 1.813 -19.643 1.963 171 HH21 ARG 20 2HH2 ARG 20 4.145 -21.316 3.960 172 HH22 ARG 20 1HH2 ARG 20 3.098 -21.434 2.586 173 H GLU 21 HN GLU 21 5.930 -14.394 7.489 174 HA GLU 21 HA GLU 21 3.467 -13.643 8.573 175 HB2 GLU 21 2HB GLU 21 6.313 -13.070 9.335 176 HB3 GLU 21 3HB GLU 21 4.988 -12.335 10.226 177 HG2 GLU 21 2HG GLU 21 5.378 -14.205 11.479 178 HG3 GLU 21 3HG GLU 21 4.116 -14.786 10.393 179 H VAL 22 HN VAL 22 5.999 -11.694 7.049 180 HA VAL 22 HA VAL 22 4.923 -9.163 7.540 181 HB VAL 22 HB VAL 22 6.544 -10.084 5.162 182 HG11 VAL 22 1HG1 VAL 22 7.071 -7.400 5.667 183 HG12 VAL 22 2HG1 VAL 22 6.149 -8.063 4.316 184 HG13 VAL 22 3HG1 VAL 22 5.317 -7.542 5.782 185 HG21 VAL 22 3HG2 VAL 22 8.429 -9.788 6.385 186 HG22 VAL 22 1HG2 VAL 22 7.733 -8.481 7.342 187 HG23 VAL 22 2HG2 VAL 22 7.340 -10.157 7.722 188 H ALA 23 HN ALA 23 4.610 -11.157 4.597 189 HA ALA 23 HA ALA 23 2.968 -9.613 3.080 190 HB1 ALA 23 1HB ALA 23 3.411 -12.497 3.349 191 HB2 ALA 23 2HB ALA 23 1.862 -12.057 2.629 192 HB3 ALA 23 3HB ALA 23 3.365 -11.483 1.907 193 H ARG 24 HN ARG 24 1.795 -12.016 5.446 194 HA ARG 24 HA ARG 24 -0.916 -11.355 5.242 195 HB2 ARG 24 2HB ARG 24 0.718 -12.652 7.408 196 HB3 ARG 24 3HB ARG 24 -1.004 -12.359 7.617 197 HG2 ARG 24 2HG ARG 24 -1.511 -13.742 5.704 198 HG3 ARG 24 3HG ARG 24 0.209 -13.967 5.380 199 HD2 ARG 24 2HD ARG 24 -0.211 -15.890 6.532 200 HD3 ARG 24 3HD ARG 24 0.199 -14.828 7.878 201 HE ARG 24 HE ARG 24 -2.590 -14.778 7.316 202 HH11 ARG 24 2HH1 ARG 24 -0.089 -16.658 8.842 203 HH12 ARG 24 1HH1 ARG 24 -1.166 -17.423 9.963 204 HH21 ARG 24 2HH2 ARG 24 -4.019 -15.778 8.786 205 HH22 ARG 24 1HH2 ARG 24 -3.401 -16.922 9.929 206 H ARG 25 HN ARG 25 1.619 -10.108 7.369 207 HA ARG 25 HA ARG 25 0.052 -8.557 9.066 208 HB2 ARG 25 2HB ARG 25 2.344 -8.868 9.613 209 HB3 ARG 25 3HB ARG 25 2.875 -8.205 8.073 210 HG2 ARG 25 2HG ARG 25 1.801 -6.019 8.851 211 HG3 ARG 25 3HG ARG 25 1.770 -6.760 10.452 212 HD2 ARG 25 2HD ARG 25 4.298 -6.721 8.854 213 HD3 ARG 25 3HD ARG 25 3.795 -5.290 9.754 214 HE ARG 25 HE ARG 25 3.785 -7.679 11.338 215 HH11 ARG 25 2HH1 ARG 25 5.762 -5.091 10.108 216 HH12 ARG 25 1HH1 ARG 25 6.936 -5.211 11.376 217 HH21 ARG 25 2HH2 ARG 25 5.324 -7.847 13.013 218 HH22 ARG 25 1HH2 ARG 25 6.687 -6.779 13.027 219 H ILE 26 HN ILE 26 1.519 -7.707 5.947 220 HA ILE 26 HA ILE 26 0.695 -5.023 5.895 221 HB ILE 26 HB ILE 26 1.223 -6.905 3.594 222 HG12 ILE 26 2HG1 ILE 26 3.004 -4.752 4.740 223 HG13 ILE 26 3HG1 ILE 26 3.094 -6.438 5.237 224 HG21 ILE 26 1HG2 ILE 26 1.710 -4.568 2.490 225 HG22 ILE 26 2HG2 ILE 26 0.079 -5.236 2.525 226 HG23 ILE 26 3HG2 ILE 26 0.554 -4.007 3.697 227 HD11 ILE 26 3HD1 ILE 26 4.631 -5.414 3.333 228 HD12 ILE 26 1HD1 ILE 26 4.085 -7.091 3.313 229 HD13 ILE 26 2HD1 ILE 26 3.250 -5.879 2.339 230 H LEU 27 HN LEU 27 -0.699 -7.738 4.043 231 HA LEU 27 HA LEU 27 -2.944 -6.492 3.082 232 HB2 LEU 27 2HB LEU 27 -2.720 -9.339 4.046 233 HB3 LEU 27 3HB LEU 27 -3.991 -8.717 2.996 234 HG LEU 27 HG LEU 27 -1.078 -8.700 2.233 235 HD11 LEU 27 1HD1 LEU 27 -1.163 -10.888 1.902 236 HD12 LEU 27 2HD1 LEU 27 -2.491 -10.646 0.766 237 HD13 LEU 27 3HD1 LEU 27 -2.832 -10.941 2.471 238 HD21 LEU 27 3HD2 LEU 27 -1.739 -7.924 0.218 239 HD22 LEU 27 1HD2 LEU 27 -3.102 -7.306 1.151 240 HD23 LEU 27 2HD2 LEU 27 -3.262 -8.815 0.251 241 H ARG 28 HN ARG 28 -2.574 -8.127 6.211 242 HA ARG 28 HA ARG 28 -5.229 -7.732 7.081 243 HB2 ARG 28 2HB ARG 28 -3.513 -9.334 8.046 244 HB3 ARG 28 3HB ARG 28 -2.808 -7.948 8.867 245 HG2 ARG 28 2HG ARG 28 -4.199 -8.963 10.451 246 HG3 ARG 28 3HG ARG 28 -5.106 -7.563 9.873 247 HD2 ARG 28 2HD ARG 28 -6.445 -8.954 8.443 248 HD3 ARG 28 3HD ARG 28 -5.456 -10.364 8.818 249 HE ARG 28 HE ARG 28 -6.398 -9.539 11.239 250 HH11 ARG 28 2HH1 ARG 28 -7.864 -10.405 8.202 251 HH12 ARG 28 1HH1 ARG 28 -9.320 -11.002 8.926 252 HH21 ARG 28 2HH2 ARG 28 -8.311 -10.322 12.204 253 HH22 ARG 28 1HH2 ARG 28 -9.574 -10.954 11.203 254 H PHE 29 HN PHE 29 -2.266 -5.848 7.549 255 HA PHE 29 HA PHE 29 -3.304 -3.929 9.303 256 HB2 PHE 29 2HB PHE 29 -0.977 -3.916 9.123 257 HB3 PHE 29 3HB PHE 29 -1.015 -3.946 7.364 258 HD1 PHE 29 1HD PHE 29 -1.642 -1.805 10.315 259 HD2 PHE 29 2HD PHE 29 -0.940 -1.962 6.120 260 HE1 PHE 29 1HE PHE 29 -1.359 0.639 10.274 261 HE2 PHE 29 2HE PHE 29 -0.655 0.481 6.072 262 HZ PHE 29 HZ PHE 29 -0.864 1.785 8.151 263 H LEU 30 HN LEU 30 -3.468 -4.214 5.819 264 HA LEU 30 HA LEU 30 -4.668 -1.579 5.537 265 HB2 LEU 30 2HB LEU 30 -4.083 -3.727 3.505 266 HB3 LEU 30 3HB LEU 30 -4.726 -2.129 3.131 267 HG LEU 30 HG LEU 30 -2.106 -2.379 4.550 268 HD11 LEU 30 1HD1 LEU 30 -1.474 -2.066 1.878 269 HD12 LEU 30 2HD1 LEU 30 -2.687 -3.346 1.879 270 HD13 LEU 30 3HD1 LEU 30 -1.226 -3.516 2.852 271 HD21 LEU 30 3HD2 LEU 30 -2.612 -0.398 2.427 272 HD22 LEU 30 1HD2 LEU 30 -1.842 -0.208 4.003 273 HD23 LEU 30 2HD2 LEU 30 -3.602 -0.241 3.880 274 H ARG 31 HN ARG 31 -5.595 -4.928 5.664 275 HA ARG 31 HA ARG 31 -8.279 -4.416 4.696 276 HB2 ARG 31 2HB ARG 31 -6.796 -6.852 5.629 277 HB3 ARG 31 3HB ARG 31 -8.548 -6.885 5.483 278 HG2 ARG 31 2HG ARG 31 -8.396 -6.339 3.131 279 HG3 ARG 31 3HG ARG 31 -6.642 -6.197 3.256 280 HD2 ARG 31 2HD ARG 31 -6.992 -8.334 2.372 281 HD3 ARG 31 3HD ARG 31 -6.685 -8.612 4.085 282 HE ARG 31 HE ARG 31 -9.425 -8.379 3.808 283 HH11 ARG 31 2HH1 ARG 31 -6.900 -10.471 2.639 284 HH12 ARG 31 1HH1 ARG 31 -7.931 -11.858 2.507 285 HH21 ARG 31 2HH2 ARG 31 -10.792 -10.197 3.640 286 HH22 ARG 31 1HH2 ARG 31 -10.145 -11.701 3.076 287 H GLU 32 HN GLU 32 -6.679 -3.996 7.580 288 HA GLU 32 HA GLU 32 -9.162 -4.315 9.135 289 HB2 GLU 32 2HB GLU 32 -6.277 -4.543 9.986 290 HB3 GLU 32 3HB GLU 32 -7.597 -4.385 11.136 291 HG2 GLU 32 2HG GLU 32 -6.839 -6.674 9.416 292 HG3 GLU 32 3HG GLU 32 -7.384 -6.645 11.092 293 H ARG 33 HN ARG 33 -6.125 -2.454 9.370 294 HA ARG 33 HA ARG 33 -7.265 -0.300 10.769 295 HB2 ARG 33 2HB ARG 33 -4.827 -0.178 8.989 296 HB3 ARG 33 3HB ARG 33 -5.205 0.869 10.351 297 HG2 ARG 33 2HG ARG 33 -4.946 -2.057 10.825 298 HG3 ARG 33 3HG ARG 33 -3.487 -1.093 10.585 299 HD2 ARG 33 2HD ARG 33 -3.957 0.263 12.457 300 HD3 ARG 33 3HD ARG 33 -5.617 -0.321 12.559 301 HE ARG 33 HE ARG 33 -3.763 -2.444 12.899 302 HH11 ARG 33 2HH1 ARG 33 -5.181 0.282 14.535 303 HH12 ARG 33 1HH1 ARG 33 -4.977 -0.395 16.117 304 HH21 ARG 33 2HH2 ARG 33 -3.490 -3.347 14.975 305 HH22 ARG 33 1HH2 ARG 33 -4.014 -2.459 16.366 306 H VAL 34 HN VAL 34 -5.975 -0.122 7.452 307 HA VAL 34 HA VAL 34 -7.286 2.229 6.746 308 HB VAL 34 HB VAL 34 -6.471 -0.019 4.898 309 HG11 VAL 34 1HG1 VAL 34 -6.730 2.905 4.242 310 HG12 VAL 34 2HG1 VAL 34 -6.511 1.551 3.131 311 HG13 VAL 34 3HG1 VAL 34 -8.038 1.749 3.993 312 HG21 VAL 34 3HG2 VAL 34 -4.546 0.597 6.120 313 HG22 VAL 34 1HG2 VAL 34 -4.432 1.457 4.585 314 HG23 VAL 34 2HG2 VAL 34 -4.948 2.312 6.038 315 H ALA 35 HN ALA 35 -8.349 -1.117 6.546 316 HA ALA 35 HA ALA 35 -10.591 -0.805 4.919 317 HB1 ALA 35 1HB ALA 35 -10.377 -2.705 7.247 318 HB2 ALA 35 2HB ALA 35 -11.366 -2.887 5.798 319 HB3 ALA 35 3HB ALA 35 -9.608 -2.971 5.682 320 H THR 36 HN THR 36 -10.362 -0.642 8.469 321 HA THR 36 HA THR 36 -13.111 0.127 8.764 322 HB THR 36 HB THR 36 -12.642 0.358 11.123 323 HG1 THR 36 1HG THR 36 -9.892 -0.019 10.470 324 HG21 THR 36 3HG2 THR 36 -12.850 -1.874 11.028 325 HG22 THR 36 1HG2 THR 36 -11.098 -1.914 11.221 326 HG23 THR 36 2HG2 THR 36 -11.809 -1.999 9.610 327 H LEU 37 HN LEU 37 -10.026 1.779 8.593 328 HA LEU 37 HA LEU 37 -10.647 4.261 9.617 329 HB2 LEU 37 2HB LEU 37 -8.854 3.386 7.386 330 HB3 LEU 37 3HB LEU 37 -9.036 5.096 7.770 331 HG LEU 37 HG LEU 37 -8.143 3.044 9.785 332 HD11 LEU 37 1HD1 LEU 37 -6.254 2.901 8.605 333 HD12 LEU 37 2HD1 LEU 37 -5.938 4.544 9.162 334 HD13 LEU 37 3HD1 LEU 37 -6.679 4.276 7.584 335 HD21 LEU 37 3HD2 LEU 37 -8.551 5.968 9.752 336 HD22 LEU 37 1HD2 LEU 37 -7.095 5.388 10.561 337 HD23 LEU 37 2HD2 LEU 37 -8.680 4.816 11.082 338 H GLU 38 HN GLU 38 -12.483 5.325 9.209 339 HA GLU 38 HA GLU 38 -14.210 5.218 7.155 340 HB2 GLU 38 2HB GLU 38 -13.328 7.580 8.788 341 HB3 GLU 38 3HB GLU 38 -14.564 7.756 7.551 342 HG2 GLU 38 2HG GLU 38 -15.849 5.943 8.694 343 HG3 GLU 38 3HG GLU 38 -14.664 6.013 9.998 344 H ASP 39 HN ASP 39 -11.154 6.964 7.145 345 HA ASP 39 HA ASP 39 -11.433 7.291 4.236 346 HB2 ASP 39 2HB ASP 39 -10.195 9.349 6.074 347 HB3 ASP 39 3HB ASP 39 -10.422 9.488 4.333 348 HA PRO 40 HA PRO 40 -7.513 5.295 4.080 349 HB2 PRO 40 2HB PRO 40 -6.731 6.096 1.606 350 HB3 PRO 40 3HB PRO 40 -7.985 4.878 1.870 351 HG2 PRO 40 2HG PRO 40 -8.276 7.792 1.247 352 HG3 PRO 40 3HG PRO 40 -9.173 6.411 0.588 353 HD2 PRO 40 2HD PRO 40 -10.174 8.003 2.536 354 HD3 PRO 40 3HD PRO 40 -10.558 6.273 2.425 355 H ARG 41 HN ARG 41 -7.921 8.669 4.089 356 HA ARG 41 HA ARG 41 -5.033 9.175 4.105 357 HB2 ARG 41 2HB ARG 41 -7.365 11.099 4.020 358 HB3 ARG 41 3HB ARG 41 -5.669 11.565 3.998 359 HG2 ARG 41 2HG ARG 41 -5.383 10.335 1.885 360 HG3 ARG 41 3HG ARG 41 -7.106 9.954 1.900 361 HD2 ARG 41 2HD ARG 41 -6.068 12.774 2.009 362 HD3 ARG 41 3HD ARG 41 -6.380 11.939 0.488 363 HE ARG 41 HE ARG 41 -8.649 12.123 0.871 364 HH11 ARG 41 2HH1 ARG 41 -6.866 13.108 3.694 365 HH12 ARG 41 1HH1 ARG 41 -8.244 13.796 4.485 366 HH21 ARG 41 2HH2 ARG 41 -10.472 13.027 1.902 367 HH22 ARG 41 1HH2 ARG 41 -10.295 13.749 3.466 368 H SER 42 HN SER 42 -5.673 7.793 6.280 369 HA SER 42 HA SER 42 -5.737 9.813 8.425 370 HB2 SER 42 2HB SER 42 -7.783 8.247 8.205 371 HB3 SER 42 3HB SER 42 -6.709 6.990 8.817 372 HG SER 42 HG SER 42 -7.957 8.161 10.438 373 H LEU 43 HN LEU 43 -4.684 6.520 7.591 374 HA LEU 43 HA LEU 43 -2.513 6.761 9.550 375 HB2 LEU 43 2HB LEU 43 -3.846 4.443 8.207 376 HB3 LEU 43 3HB LEU 43 -2.237 4.264 8.904 377 HG LEU 43 HG LEU 43 -4.583 5.241 10.513 378 HD11 LEU 43 1HD1 LEU 43 -3.852 2.511 11.043 379 HD12 LEU 43 2HD1 LEU 43 -4.367 2.704 9.368 380 HD13 LEU 43 3HD1 LEU 43 -5.435 3.201 10.680 381 HD21 LEU 43 3HD2 LEU 43 -3.242 4.621 12.394 382 HD22 LEU 43 1HD2 LEU 43 -2.260 5.631 11.332 383 HD23 LEU 43 2HD2 LEU 43 -2.026 3.882 11.351 384 H GLY 44 HN GLY 44 -2.440 8.187 7.039 385 HA2 GLY 44 1HA GLY 44 0.126 7.185 6.098 386 HA3 GLY 44 2HA GLY 44 -1.157 7.246 4.899 387 H GLU 45 HN GLU 45 1.196 8.680 4.595 388 HA GLU 45 HA GLU 45 0.348 11.453 5.111 389 HB2 GLU 45 2HB GLU 45 2.640 12.114 5.065 390 HB3 GLU 45 3HB GLU 45 2.526 10.711 6.119 391 HG2 GLU 45 2HG GLU 45 3.491 9.293 4.502 392 HG3 GLU 45 3HG GLU 45 3.311 10.500 3.230 393 HA PRO 46 HA PRO 46 -0.204 12.053 0.788 394 HB2 PRO 46 2HB PRO 46 0.145 14.743 0.669 395 HB3 PRO 46 3HB PRO 46 -1.304 13.991 1.348 396 HG2 PRO 46 2HG PRO 46 1.094 15.099 2.757 397 HG3 PRO 46 3HG PRO 46 -0.623 15.274 3.164 398 HD2 PRO 46 2HD PRO 46 1.000 13.511 4.424 399 HD3 PRO 46 3HD PRO 46 -0.728 13.199 4.162 400 H LEU 47 HN LEU 47 0.896 12.842 -1.141 401 HA LEU 47 HA LEU 47 3.809 13.096 -0.776 402 HB2 LEU 47 2HB LEU 47 2.986 10.878 -1.673 403 HB3 LEU 47 3HB LEU 47 2.472 11.755 -3.114 404 HG LEU 47 HG LEU 47 5.011 12.519 -3.104 405 HD11 LEU 47 1HD1 LEU 47 5.183 9.782 -1.864 406 HD12 LEU 47 2HD1 LEU 47 5.431 11.279 -0.967 407 HD13 LEU 47 3HD1 LEU 47 6.509 10.860 -2.297 408 HD21 LEU 47 3HD2 LEU 47 4.820 9.779 -4.090 409 HD22 LEU 47 1HD2 LEU 47 5.119 11.282 -4.963 410 HD23 LEU 47 2HD2 LEU 47 3.466 10.800 -4.578 411 H ARG 48 HN ARG 48 4.649 14.897 -1.583 412 HA ARG 48 HA ARG 48 3.197 16.279 -3.742 413 HB2 ARG 48 2HB ARG 48 4.352 17.315 -1.198 414 HB3 ARG 48 3HB ARG 48 4.441 18.344 -2.621 415 HG2 ARG 48 2HG ARG 48 1.937 17.953 -2.861 416 HG3 ARG 48 3HG ARG 48 2.003 17.303 -1.222 417 HD2 ARG 48 2HD ARG 48 2.774 19.376 -0.345 418 HD3 ARG 48 3HD ARG 48 3.049 20.027 -1.960 419 HE ARG 48 HE ARG 48 0.332 19.331 -1.655 420 HH11 ARG 48 2HH1 ARG 48 2.665 21.700 -0.620 421 HH12 ARG 48 1HH1 ARG 48 1.487 22.950 -0.390 422 HH21 ARG 48 2HH2 ARG 48 -1.227 20.969 -1.357 423 HH22 ARG 48 1HH2 ARG 48 -0.726 22.533 -0.809 424 H GLY 49 HN GLY 49 4.548 15.176 -5.263 425 HA2 GLY 49 1HA GLY 49 7.279 16.300 -5.371 426 HA3 GLY 49 2HA GLY 49 6.938 14.634 -5.815 427 HA PRO 50 HA PRO 50 6.287 17.816 -9.372 428 HB2 PRO 50 2HB PRO 50 8.775 17.912 -10.453 429 HB3 PRO 50 3HB PRO 50 8.216 19.054 -9.225 430 HG2 PRO 50 2HG PRO 50 9.916 16.611 -8.905 431 HG3 PRO 50 3HG PRO 50 10.105 18.211 -8.163 432 HD2 PRO 50 2HD PRO 50 9.022 16.111 -6.840 433 HD3 PRO 50 3HD PRO 50 8.519 17.788 -6.546 434 H GLU 51 HN GLU 51 8.149 14.866 -9.017 435 HA GLU 51 HA GLU 51 7.623 14.096 -11.783 436 HB2 GLU 51 2HB GLU 51 9.440 13.140 -9.629 437 HB3 GLU 51 3HB GLU 51 8.908 11.963 -10.823 438 HG2 GLU 51 2HG GLU 51 10.818 12.702 -11.811 439 HG3 GLU 51 3HG GLU 51 9.655 13.823 -12.517 440 H LEU 52 HN LEU 52 6.770 13.198 -8.492 441 HA LEU 52 HA LEU 52 4.958 11.130 -9.520 442 HB2 LEU 52 2HB LEU 52 6.110 11.676 -6.802 443 HB3 LEU 52 3HB LEU 52 4.747 10.583 -7.033 444 HG LEU 52 HG LEU 52 6.399 9.441 -8.747 445 HD11 LEU 52 1HD1 LEU 52 8.062 11.385 -8.059 446 HD12 LEU 52 2HD1 LEU 52 8.630 9.761 -8.444 447 HD13 LEU 52 3HD1 LEU 52 8.446 10.255 -6.761 448 HD21 LEU 52 3HD2 LEU 52 6.255 7.801 -7.257 449 HD22 LEU 52 1HD2 LEU 52 5.561 8.961 -6.124 450 HD23 LEU 52 2HD2 LEU 52 7.299 8.664 -6.127 451 H GLY 53 HN GLY 53 2.765 11.117 -9.000 452 HA2 GLY 53 1HA GLY 53 1.594 13.721 -8.670 453 HA3 GLY 53 2HA GLY 53 0.728 12.205 -8.878 454 H ARG 54 HN ARG 54 -0.720 12.219 -7.261 455 HA ARG 54 HA ARG 54 0.210 12.868 -4.554 456 HB2 ARG 54 2HB ARG 54 -2.494 12.849 -5.859 457 HB3 ARG 54 3HB ARG 54 -2.348 12.771 -4.108 458 HG2 ARG 54 2HG ARG 54 -0.857 14.907 -5.526 459 HG3 ARG 54 3HG ARG 54 -2.610 15.062 -5.393 460 HD2 ARG 54 2HD ARG 54 -0.725 14.610 -3.082 461 HD3 ARG 54 3HD ARG 54 -1.400 16.171 -3.547 462 HE ARG 54 HE ARG 54 -3.412 14.192 -3.080 463 HH11 ARG 54 2HH1 ARG 54 -1.303 16.498 -1.547 464 HH12 ARG 54 1HH1 ARG 54 -2.316 16.697 -0.156 465 HH21 ARG 54 2HH2 ARG 54 -4.755 14.445 -1.254 466 HH22 ARG 54 1HH2 ARG 54 -4.279 15.527 0.011 467 H PHE 55 HN PHE 55 1.300 10.650 -4.826 468 HA PHE 55 HA PHE 55 -0.487 8.394 -4.429 469 HB2 PHE 55 2HB PHE 55 2.528 8.572 -4.581 470 HB3 PHE 55 3HB PHE 55 1.633 7.069 -4.379 471 HD1 PHE 55 1HD PHE 55 -0.530 7.185 -6.208 472 HD2 PHE 55 2HD PHE 55 3.425 8.686 -6.685 473 HE1 PHE 55 1HE PHE 55 -0.754 6.990 -8.650 474 HE2 PHE 55 2HE PHE 55 3.206 8.494 -9.128 475 HZ PHE 55 HZ PHE 55 1.115 7.646 -10.114 476 H TRP 56 HN TRP 56 -1.308 8.106 -2.466 477 HA TRP 56 HA TRP 56 -0.338 9.203 -0.092 478 HB2 TRP 56 2HB TRP 56 -2.638 8.046 -0.717 479 HB3 TRP 56 3HB TRP 56 -1.863 6.636 0.000 480 HD1 TRP 56 1HD TRP 56 -2.206 6.394 2.521 481 HE1 TRP 56 1HE TRP 56 -2.868 7.961 4.453 482 HE3 TRP 56 3HE TRP 56 -2.371 10.816 -0.040 483 HZ2 TRP 56 2HZ TRP 56 -3.391 10.708 4.840 484 HZ3 TRP 56 3HZ TRP 56 -2.960 12.867 1.185 485 HH2 TRP 56 2HH TRP 56 -3.460 12.812 3.574 486 H LYS 57 HN LYS 57 0.597 8.157 1.769 487 HA LYS 57 HA LYS 57 2.281 5.837 1.094 488 HB2 LYS 57 2HB LYS 57 3.572 7.971 1.147 489 HB3 LYS 57 3HB LYS 57 3.100 8.173 2.829 490 HG2 LYS 57 2HG LYS 57 5.134 7.221 3.133 491 HG3 LYS 57 3HG LYS 57 4.155 5.756 3.036 492 HD2 LYS 57 2HD LYS 57 5.848 5.247 1.566 493 HD3 LYS 57 3HD LYS 57 4.661 5.959 0.471 494 HE2 LYS 57 2HE LYS 57 6.758 7.659 1.766 495 HE3 LYS 57 3HE LYS 57 7.135 6.715 0.326 496 HZ1 LYS 57 3HZ LYS 57 6.456 8.677 -0.595 497 HZ2 LYS 57 1HZ LYS 57 5.330 9.009 0.624 498 HZ3 LYS 57 2HZ LYS 57 4.979 7.853 -0.559 499 H TYR 58 HN TYR 58 1.926 4.153 2.369 500 HA TYR 58 HA TYR 58 0.714 4.622 5.010 501 HB2 TYR 58 2HB TYR 58 0.590 2.216 3.185 502 HB3 TYR 58 3HB TYR 58 -0.040 2.233 4.828 503 HD1 TYR 58 1HD TYR 58 -1.902 3.853 5.391 504 HD2 TYR 58 2HD TYR 58 -0.684 3.056 1.392 505 HE1 TYR 58 1HE TYR 58 -4.037 4.753 4.568 506 HE2 TYR 58 2HE TYR 58 -2.816 3.955 0.558 507 HH TYR 58 HH TYR 58 -5.100 5.540 2.684 508 H ARG 59 HN ARG 59 1.656 3.842 6.824 509 HA ARG 59 HA ARG 59 4.302 2.611 6.502 510 HB2 ARG 59 2HB ARG 59 4.718 4.439 7.809 511 HB3 ARG 59 3HB ARG 59 3.098 4.453 8.493 512 HG2 ARG 59 2HG ARG 59 5.038 2.299 9.225 513 HG3 ARG 59 3HG ARG 59 5.097 3.878 10.011 514 HD2 ARG 59 2HD ARG 59 2.487 3.402 10.250 515 HD3 ARG 59 3HD ARG 59 3.056 1.734 10.185 516 HE ARG 59 HE ARG 59 3.852 1.986 12.305 517 HH11 ARG 59 2HH1 ARG 59 3.453 5.141 10.888 518 HH12 ARG 59 1HH1 ARG 59 3.850 5.990 12.346 519 HH21 ARG 59 2HH2 ARG 59 4.376 3.092 14.231 520 HH22 ARG 59 1HH2 ARG 59 4.376 4.823 14.246 521 H VAL 60 HN VAL 60 4.807 0.678 7.415 522 HA VAL 60 HA VAL 60 2.826 -0.627 9.136 523 HB VAL 60 HB VAL 60 3.994 -1.864 6.641 524 HG11 VAL 60 1HG1 VAL 60 3.751 -3.853 7.594 525 HG12 VAL 60 2HG1 VAL 60 3.190 -3.092 9.084 526 HG13 VAL 60 3HG1 VAL 60 2.034 -3.524 7.822 527 HG21 VAL 60 3HG2 VAL 60 1.362 -0.722 7.360 528 HG22 VAL 60 1HG2 VAL 60 2.184 -0.788 5.801 529 HG23 VAL 60 2HG2 VAL 60 1.350 -2.214 6.419 530 H GLY 61 HN GLY 61 3.985 -0.872 10.952 531 HA2 GLY 61 1HA GLY 61 5.808 -1.284 12.325 532 HA3 GLY 61 2HA GLY 61 5.800 -2.801 11.436 533 H ASP 62 HN ASP 62 7.477 -3.277 10.136 534 HA ASP 62 HA ASP 62 9.525 -1.187 9.788 535 HB2 ASP 62 2HB ASP 62 9.794 -4.178 10.103 536 HB3 ASP 62 3HB ASP 62 11.118 -3.149 9.564 537 H TYR 63 HN TYR 63 7.456 -1.270 7.976 538 HA TYR 63 HA TYR 63 8.901 -1.900 5.539 539 HB2 TYR 63 2HB TYR 63 6.217 -3.133 6.183 540 HB3 TYR 63 3HB TYR 63 6.928 -3.107 4.573 541 HD1 TYR 63 1HD TYR 63 7.585 -4.269 8.050 542 HD2 TYR 63 2HD TYR 63 8.365 -4.818 3.903 543 HE1 TYR 63 1HE TYR 63 8.795 -6.349 8.559 544 HE2 TYR 63 2HE TYR 63 9.576 -6.900 4.400 545 HH TYR 63 HH TYR 63 9.888 -8.093 7.733 546 H ARG 64 HN ARG 64 8.240 -0.695 3.766 547 HA ARG 64 HA ARG 64 6.315 1.445 4.381 548 HB2 ARG 64 2HB ARG 64 8.720 1.393 2.560 549 HB3 ARG 64 3HB ARG 64 7.526 2.684 2.528 550 HG2 ARG 64 2HG ARG 64 9.017 1.913 5.019 551 HG3 ARG 64 3HG ARG 64 9.613 3.117 3.874 552 HD2 ARG 64 2HD ARG 64 6.826 3.378 4.880 553 HD3 ARG 64 3HD ARG 64 8.149 3.793 5.970 554 HE ARG 64 HE ARG 64 7.261 5.280 3.686 555 HH11 ARG 64 2HH1 ARG 64 9.985 4.576 5.736 556 HH12 ARG 64 1HH1 ARG 64 10.796 6.068 5.392 557 HH21 ARG 64 2HH2 ARG 64 8.318 7.248 3.226 558 HH22 ARG 64 1HH2 ARG 64 9.846 7.588 3.965 559 H LEU 65 HN LEU 65 4.528 1.646 3.183 560 HA LEU 65 HA LEU 65 4.373 0.149 0.651 561 HB2 LEU 65 2HB LEU 65 2.019 0.561 2.463 562 HB3 LEU 65 3HB LEU 65 2.192 -0.572 1.124 563 HG LEU 65 HG LEU 65 3.661 -0.781 3.751 564 HD11 LEU 65 1HD1 LEU 65 2.132 -2.583 4.282 565 HD12 LEU 65 2HD1 LEU 65 1.266 -2.326 2.768 566 HD13 LEU 65 3HD1 LEU 65 1.239 -1.085 4.021 567 HD21 LEU 65 3HD2 LEU 65 4.000 -3.145 2.882 568 HD22 LEU 65 1HD2 LEU 65 4.936 -1.870 2.102 569 HD23 LEU 65 2HD2 LEU 65 3.504 -2.523 1.307 570 H ILE 66 HN ILE 66 3.833 1.335 -1.057 571 HA ILE 66 HA ILE 66 2.607 3.973 -0.588 572 HB ILE 66 HB ILE 66 4.165 3.263 -3.056 573 HG12 ILE 66 2HG1 ILE 66 5.190 4.174 -0.378 574 HG13 ILE 66 3HG1 ILE 66 5.788 2.869 -1.397 575 HG21 ILE 66 1HG2 ILE 66 2.593 5.366 -2.590 576 HG22 ILE 66 2HG2 ILE 66 4.088 5.980 -1.887 577 HG23 ILE 66 3HG2 ILE 66 4.053 5.469 -3.574 578 HD11 ILE 66 3HD1 ILE 66 6.533 5.655 -1.332 579 HD12 ILE 66 1HD1 ILE 66 7.352 4.282 -2.075 580 HD13 ILE 66 2HD1 ILE 66 6.083 5.134 -2.956 581 H CYS 67 HN CYS 67 0.468 3.602 -0.873 582 HA CYS 67 HA CYS 67 -0.371 2.221 -3.330 583 HB2 CYS 67 2HB CYS 67 -2.131 2.857 -0.964 584 HB3 CYS 67 3HB CYS 67 -2.434 1.708 -2.262 585 HG CYS 67 HG CYS 67 0.350 0.952 -0.635 586 H HIS 68 HN HIS 68 -2.311 3.079 -4.413 587 HA HIS 68 HA HIS 68 -2.310 6.021 -4.348 588 HB2 HIS 68 2HB HIS 68 -1.554 4.866 -6.463 589 HB3 HIS 68 3HB HIS 68 -3.199 4.262 -6.637 590 HD2 HIS 68 2HD HIS 68 -2.324 7.986 -5.691 591 HE1 HIS 68 1HE HIS 68 -4.337 7.918 -9.425 592 HE2 HIS 68 2HE HIS 68 -3.295 9.369 -7.649 593 H ILE 69 HN ILE 69 -4.032 6.897 -3.426 594 HA ILE 69 HA ILE 69 -6.462 5.375 -3.059 595 HB ILE 69 HB ILE 69 -5.807 8.213 -2.258 596 HG12 ILE 69 2HG1 ILE 69 -5.980 5.785 -0.477 597 HG13 ILE 69 3HG1 ILE 69 -4.469 6.295 -1.223 598 HG21 ILE 69 1HG2 ILE 69 -8.279 7.392 -2.564 599 HG22 ILE 69 2HG2 ILE 69 -7.983 6.601 -1.017 600 HG23 ILE 69 3HG2 ILE 69 -7.817 8.350 -1.158 601 HD11 ILE 69 3HD1 ILE 69 -4.495 8.355 -0.038 602 HD12 ILE 69 1HD1 ILE 69 -6.132 8.062 0.549 603 HD13 ILE 69 2HD1 ILE 69 -4.797 7.062 1.122 604 H GLN 70 HN GLN 70 -8.160 5.413 -4.369 605 HA GLN 70 HA GLN 70 -8.377 7.612 -6.314 606 HB2 GLN 70 2HB GLN 70 -9.251 4.730 -6.483 607 HB3 GLN 70 3HB GLN 70 -9.767 5.955 -7.634 608 HG2 GLN 70 2HG GLN 70 -7.669 6.172 -8.554 609 HG3 GLN 70 3HG GLN 70 -6.860 5.554 -7.115 610 HE21 GLN 70 1HE2 GLN 70 -5.674 4.059 -8.289 611 HE22 GLN 70 2HE2 GLN 70 -6.388 2.641 -8.969 612 H ASP 71 HN ASP 71 -9.577 8.982 -4.973 613 HA ASP 71 HA ASP 71 -11.765 8.380 -3.419 614 HB2 ASP 71 2HB ASP 71 -11.054 10.578 -3.213 615 HB3 ASP 71 3HB ASP 71 -10.960 10.820 -4.955 616 H ARG 72 HN ARG 72 -11.654 8.954 -6.902 617 HA ARG 72 HA ARG 72 -14.184 9.232 -7.697 618 HB2 ARG 72 2HB ARG 72 -12.041 7.431 -8.776 619 HB3 ARG 72 3HB ARG 72 -13.625 7.471 -9.537 620 HG2 ARG 72 2HG ARG 72 -12.251 10.055 -9.039 621 HG3 ARG 72 3HG ARG 72 -11.654 9.024 -10.341 622 HD2 ARG 72 2HD ARG 72 -13.980 8.927 -11.233 623 HD3 ARG 72 3HD ARG 72 -14.447 10.108 -10.009 624 HE ARG 72 HE ARG 72 -12.944 10.601 -12.424 625 HH11 ARG 72 2HH1 ARG 72 -13.802 11.761 -9.256 626 HH12 ARG 72 1HH1 ARG 72 -13.455 13.418 -9.626 627 HH21 ARG 72 2HH2 ARG 72 -12.484 12.778 -12.924 628 HH22 ARG 72 1HH2 ARG 72 -12.706 13.995 -11.713 629 H GLU 73 HN GLU 73 -12.859 5.955 -7.181 630 HA GLU 73 HA GLU 73 -15.584 5.081 -6.478 631 HB2 GLU 73 2HB GLU 73 -13.355 3.421 -7.670 632 HB3 GLU 73 3HB GLU 73 -14.981 2.862 -7.303 633 HG2 GLU 73 2HG GLU 73 -15.221 3.248 -9.521 634 HG3 GLU 73 3HG GLU 73 -15.643 4.848 -8.912 635 H ALA 74 HN ALA 74 -13.629 6.209 -4.659 636 HA ALA 74 HA ALA 74 -12.406 5.715 -2.756 637 HB1 ALA 74 1HB ALA 74 -14.816 3.999 -2.204 638 HB2 ALA 74 2HB ALA 74 -13.826 4.890 -1.047 639 HB3 ALA 74 3HB ALA 74 -14.859 5.763 -2.179 640 H THR 75 HN THR 75 -11.219 4.220 -4.602 641 HA THR 75 HA THR 75 -10.858 1.614 -3.276 642 HB THR 75 HB THR 75 -10.938 2.190 -6.236 643 HG1 THR 75 1HG THR 75 -12.915 1.544 -5.671 644 HG21 THR 75 3HG2 THR 75 -10.022 -0.364 -4.911 645 HG22 THR 75 1HG2 THR 75 -8.950 0.809 -5.675 646 HG23 THR 75 2HG2 THR 75 -10.145 -0.055 -6.643 647 H VAL 76 HN VAL 76 -8.818 1.097 -2.755 648 HA VAL 76 HA VAL 76 -6.691 2.932 -3.616 649 HB VAL 76 HB VAL 76 -6.668 1.002 -1.292 650 HG11 VAL 76 1HG1 VAL 76 -4.660 2.745 -2.522 651 HG12 VAL 76 2HG1 VAL 76 -4.808 2.924 -0.773 652 HG13 VAL 76 3HG1 VAL 76 -4.458 1.343 -1.471 653 HG21 VAL 76 3HG2 VAL 76 -7.084 3.991 -1.280 654 HG22 VAL 76 1HG2 VAL 76 -8.340 2.783 -1.007 655 HG23 VAL 76 2HG2 VAL 76 -7.004 2.940 0.134 656 H LEU 77 HN LEU 77 -4.850 2.207 -4.590 657 HA LEU 77 HA LEU 77 -4.630 -0.682 -5.096 658 HB2 LEU 77 2HB LEU 77 -5.495 0.175 -7.112 659 HB3 LEU 77 3HB LEU 77 -4.438 1.585 -7.056 660 HG LEU 77 HG LEU 77 -2.544 -0.220 -7.293 661 HD11 LEU 77 1HD1 LEU 77 -5.018 -1.639 -8.211 662 HD12 LEU 77 2HD1 LEU 77 -3.714 -2.230 -7.182 663 HD13 LEU 77 3HD1 LEU 77 -3.439 -2.001 -8.908 664 HD21 LEU 77 3HD2 LEU 77 -4.149 0.291 -9.763 665 HD22 LEU 77 1HD2 LEU 77 -2.401 0.332 -9.532 666 HD23 LEU 77 2HD2 LEU 77 -3.406 1.635 -8.895 667 H VAL 78 HN VAL 78 -2.797 -1.398 -4.254 668 HA VAL 78 HA VAL 78 -0.686 0.244 -3.385 669 HB VAL 78 HB VAL 78 -0.526 -2.711 -3.987 670 HG11 VAL 78 1HG1 VAL 78 1.578 -1.299 -3.506 671 HG12 VAL 78 2HG1 VAL 78 0.971 -1.238 -1.850 672 HG13 VAL 78 3HG1 VAL 78 1.339 -2.792 -2.600 673 HG21 VAL 78 3HG2 VAL 78 -1.787 -3.169 -2.204 674 HG22 VAL 78 1HG2 VAL 78 -0.950 -1.974 -1.213 675 HG23 VAL 78 2HG2 VAL 78 -2.290 -1.479 -2.247 676 H LEU 79 HN LEU 79 1.184 0.891 -4.306 677 HA LEU 79 HA LEU 79 1.565 0.228 -7.143 678 HB2 LEU 79 2HB LEU 79 2.196 2.609 -5.467 679 HB3 LEU 79 3HB LEU 79 3.197 2.276 -6.878 680 HG LEU 79 HG LEU 79 0.204 2.600 -7.004 681 HD11 LEU 79 1HD1 LEU 79 0.525 4.771 -6.649 682 HD12 LEU 79 2HD1 LEU 79 1.379 4.808 -8.190 683 HD13 LEU 79 3HD1 LEU 79 2.279 4.593 -6.689 684 HD21 LEU 79 3HD2 LEU 79 1.403 1.344 -8.824 685 HD22 LEU 79 1HD2 LEU 79 2.267 2.839 -9.183 686 HD23 LEU 79 2HD2 LEU 79 0.512 2.773 -9.351 687 H ARG 80 HN ARG 80 3.533 0.936 -4.251 688 HA ARG 80 HA ARG 80 5.432 -1.120 -5.161 689 HB2 ARG 80 2HB ARG 80 6.137 1.375 -5.427 690 HB3 ARG 80 3HB ARG 80 6.360 1.320 -3.684 691 HG2 ARG 80 2HG ARG 80 8.470 0.886 -4.617 692 HG3 ARG 80 3HG ARG 80 7.860 -0.677 -4.069 693 HD2 ARG 80 2HD ARG 80 8.757 -1.083 -6.201 694 HD3 ARG 80 3HD ARG 80 7.013 -1.002 -6.444 695 HE ARG 80 HE ARG 80 7.318 0.857 -7.743 696 HH11 ARG 80 2HH1 ARG 80 10.210 0.271 -5.895 697 HH12 ARG 80 1HH1 ARG 80 11.137 1.483 -6.717 698 HH21 ARG 80 2HH2 ARG 80 8.528 2.454 -8.832 699 HH22 ARG 80 1HH2 ARG 80 10.178 2.724 -8.387 700 H VAL 81 HN VAL 81 6.464 -2.319 -3.549 701 HA VAL 81 HA VAL 81 5.651 -1.842 -0.776 702 HB VAL 81 HB VAL 81 5.241 -4.447 -2.246 703 HG11 VAL 81 1HG1 VAL 81 4.847 -3.924 0.696 704 HG12 VAL 81 2HG1 VAL 81 4.644 -5.456 -0.157 705 HG13 VAL 81 3HG1 VAL 81 6.250 -4.746 0.015 706 HG21 VAL 81 3HG2 VAL 81 3.276 -2.745 -0.719 707 HG22 VAL 81 1HG2 VAL 81 3.476 -2.708 -2.471 708 HG23 VAL 81 2HG2 VAL 81 2.923 -4.182 -1.678 709 H GLY 82 HN GLY 82 7.465 -1.751 0.367 710 HA2 GLY 82 1HA GLY 82 9.415 -3.878 0.184 711 HA3 GLY 82 2HA GLY 82 10.007 -2.313 -0.354 712 H HIS 83 HN HIS 83 11.028 -3.804 1.845 713 HA HIS 83 HA HIS 83 10.059 -3.001 4.338 714 HB2 HIS 83 2HB HIS 83 11.814 -4.769 3.856 715 HB3 HIS 83 3HB HIS 83 12.973 -3.454 3.692 716 HD2 HIS 83 2HD HIS 83 11.359 -5.591 6.420 717 HE1 HIS 83 1HE HIS 83 13.436 -2.448 8.371 718 HE2 HIS 83 2HE HIS 83 12.312 -4.685 8.648 719 H ALA 84 HN ALA 84 10.894 -1.422 5.828 720 HA ALA 84 HA ALA 84 10.871 1.167 4.983 721 HB1 ALA 84 1HB ALA 84 10.739 0.434 7.340 722 HB2 ALA 84 2HB ALA 84 12.482 0.165 7.326 723 HB3 ALA 84 3HB ALA 84 11.840 1.791 7.100 724 H ARG 85 HN ARG 85 13.824 -0.721 5.650 725 HA ARG 85 HA ARG 85 15.622 1.264 4.776 726 HB2 ARG 85 2HB ARG 85 17.304 -0.485 4.798 727 HB3 ARG 85 3HB ARG 85 16.267 -0.641 6.210 728 HG2 ARG 85 2HG ARG 85 15.062 -2.460 5.163 729 HG3 ARG 85 3HG ARG 85 16.018 -2.273 3.692 730 HD2 ARG 85 2HD ARG 85 18.024 -2.912 4.849 731 HD3 ARG 85 3HD ARG 85 17.179 -2.923 6.396 732 HE ARG 85 HE ARG 85 15.918 -4.717 4.638 733 HH11 ARG 85 2HH1 ARG 85 18.870 -4.347 6.445 734 HH12 ARG 85 1HH1 ARG 85 19.130 -6.052 6.619 735 HH21 ARG 85 2HH2 ARG 85 16.249 -6.963 4.860 736 HH22 ARG 85 1HH2 ARG 85 17.639 -7.538 5.717 737 H ASP 86 HN ASP 86 13.726 -1.079 3.076 738 HA ASP 86 HA ASP 86 15.254 -1.066 0.661 739 HB2 ASP 86 2HB ASP 86 13.743 -2.927 1.276 740 HB3 ASP 86 3HB ASP 86 12.363 -1.848 1.095 741 H VAL 87 HN VAL 87 12.022 0.260 1.397 742 HA VAL 87 HA VAL 87 11.896 1.836 -0.951 743 HB VAL 87 HB VAL 87 10.355 2.089 1.635 744 HG11 VAL 87 1HG1 VAL 87 9.991 3.434 -1.033 745 HG12 VAL 87 2HG1 VAL 87 8.707 3.321 0.172 746 HG13 VAL 87 3HG1 VAL 87 10.196 4.188 0.548 747 HG21 VAL 87 3HG2 VAL 87 10.198 -0.046 0.221 748 HG22 VAL 87 1HG2 VAL 87 8.694 0.762 0.663 749 HG23 VAL 87 2HG2 VAL 87 9.356 0.958 -0.960 750 H TYR 88 HN TYR 88 11.908 4.151 -1.115 751 HA TYR 88 HA TYR 88 14.126 5.466 -0.418 752 HB2 TYR 88 2HB TYR 88 11.506 6.936 -0.247 753 HB3 TYR 88 3HB TYR 88 13.047 7.508 -0.877 754 HD1 TYR 88 1HD TYR 88 13.933 5.827 -2.874 755 HD2 TYR 88 2HD TYR 88 9.884 6.634 -1.845 756 HE1 TYR 88 1HE TYR 88 13.237 5.206 -5.150 757 HE2 TYR 88 2HE TYR 88 9.177 6.014 -4.117 758 HH TYR 88 HH TYR 88 10.790 4.271 -6.135 759 H ARG 89 HN ARG 89 14.895 6.777 1.241 760 HA ARG 89 HA ARG 89 14.358 5.951 3.858 761 HB2 ARG 89 2HB ARG 89 15.868 8.235 2.653 762 HB3 ARG 89 3HB ARG 89 15.583 8.220 4.388 763 HG2 ARG 89 2HG ARG 89 17.591 7.162 4.327 764 HG3 ARG 89 3HG ARG 89 16.527 5.764 4.164 765 HD2 ARG 89 2HD ARG 89 18.078 5.419 2.478 766 HD3 ARG 89 3HD ARG 89 16.746 6.195 1.623 767 HE ARG 89 HE ARG 89 18.542 8.166 2.500 768 HH11 ARG 89 2HH1 ARG 89 18.336 5.559 0.203 769 HH12 ARG 89 1HH1 ARG 89 19.440 6.284 -0.918 770 HH21 ARG 89 2HH2 ARG 89 19.998 9.132 1.033 771 HH22 ARG 89 1HH2 ARG 89 20.386 8.316 -0.444 Start of MODEL 11 1 H1 MET 1 HN MET 1 -21.026 -0.540 3.623 2 HA MET 1 HA MET 1 -19.716 1.214 2.144 3 HB2 MET 1 2HB MET 1 -21.344 1.759 3.977 4 HB3 MET 1 3HB MET 1 -20.007 1.673 5.115 5 HG2 MET 1 2HG MET 1 -20.195 3.935 4.689 6 HG3 MET 1 3HG MET 1 -18.890 3.432 3.617 7 HE1 MET 1 3HE MET 1 -22.149 4.935 4.175 8 HE2 MET 1 1HE MET 1 -22.843 5.306 2.596 9 HE3 MET 1 2HE MET 1 -23.041 3.697 3.290 10 H GLY 2 HN GLY 2 -17.786 2.402 2.124 11 HA2 GLY 2 1HA GLY 2 -15.694 2.814 3.537 12 HA3 GLY 2 2HA GLY 2 -15.567 1.061 3.529 13 H TYR 3 HN TYR 3 -13.469 1.367 2.565 14 HA TYR 3 HA TYR 3 -13.571 2.143 -0.272 15 HB2 TYR 3 2HB TYR 3 -11.373 2.213 1.773 16 HB3 TYR 3 3HB TYR 3 -10.993 2.181 0.054 17 HD1 TYR 3 2HD TYR 3 -13.225 4.039 2.412 18 HD2 TYR 3 1HD TYR 3 -10.680 4.210 -0.993 19 HE1 TYR 3 2HE TYR 3 -13.543 6.476 2.304 20 HE2 TYR 3 1HE TYR 3 -10.989 6.647 -1.110 21 HH TYR 3 HH TYR 3 -11.671 8.479 0.165 22 H ARG 4 HN ARG 4 -12.145 0.907 -1.737 23 HA ARG 4 HA ARG 4 -12.354 -1.948 -1.137 24 HB2 ARG 4 2HB ARG 4 -13.381 -1.284 -3.210 25 HB3 ARG 4 3HB ARG 4 -11.921 -0.450 -3.722 26 HG2 ARG 4 2HG ARG 4 -10.757 -2.494 -4.029 27 HG3 ARG 4 3HG ARG 4 -12.035 -3.413 -3.232 28 HD2 ARG 4 2HD ARG 4 -12.524 -1.822 -5.734 29 HD3 ARG 4 3HD ARG 4 -11.954 -3.490 -5.779 30 HE ARG 4 HE ARG 4 -14.607 -2.595 -5.213 31 HH11 ARG 4 2HH1 ARG 4 -12.283 -5.107 -4.569 32 HH12 ARG 4 1HH1 ARG 4 -13.483 -6.306 -4.218 33 HH21 ARG 4 2HH2 ARG 4 -16.195 -4.166 -4.752 34 HH22 ARG 4 1HH2 ARG 4 -15.708 -5.771 -4.323 35 H ILE 5 HN ILE 5 -10.619 -3.377 -1.386 36 HA ILE 5 HA ILE 5 -7.973 -2.091 -1.258 37 HB ILE 5 HB ILE 5 -8.707 -4.827 -0.219 38 HG12 ILE 5 2HG1 ILE 5 -9.936 -3.090 1.009 39 HG13 ILE 5 3HG1 ILE 5 -8.690 -3.817 2.018 40 HG21 ILE 5 1HG2 ILE 5 -6.574 -4.507 1.069 41 HG22 ILE 5 2HG2 ILE 5 -6.381 -4.691 -0.674 42 HG23 ILE 5 3HG2 ILE 5 -6.264 -3.093 0.062 43 HD11 ILE 5 3HD1 ILE 5 -8.596 -1.138 0.658 44 HD12 ILE 5 1HD1 ILE 5 -8.698 -1.463 2.389 45 HD13 ILE 5 2HD1 ILE 5 -7.232 -1.875 1.499 46 H GLU 6 HN GLU 6 -6.961 -2.214 -3.153 47 HA GLU 6 HA GLU 6 -7.034 -4.779 -4.601 48 HB2 GLU 6 2HB GLU 6 -7.288 -1.977 -5.620 49 HB3 GLU 6 3HB GLU 6 -6.545 -3.198 -6.642 50 HG2 GLU 6 2HG GLU 6 -9.194 -3.733 -5.379 51 HG3 GLU 6 3HG GLU 6 -9.089 -2.721 -6.819 52 H PHE 7 HN PHE 7 -5.128 -5.186 -5.956 53 HA PHE 7 HA PHE 7 -2.713 -3.786 -5.044 54 HB2 PHE 7 2HB PHE 7 -3.284 -6.730 -4.923 55 HB3 PHE 7 3HB PHE 7 -1.631 -6.159 -5.117 56 HD1 PHE 7 1HD PHE 7 -4.620 -5.571 -2.968 57 HD2 PHE 7 2HD PHE 7 -0.377 -5.783 -3.230 58 HE1 PHE 7 1HE PHE 7 -4.456 -5.236 -0.536 59 HE2 PHE 7 2HE PHE 7 -0.207 -5.449 -0.799 60 HZ PHE 7 HZ PHE 7 -2.248 -5.176 0.552 61 H ASP 8 HN ASP 8 -1.432 -3.196 -6.665 62 HA ASP 8 HA ASP 8 -2.097 -3.645 -9.355 63 HB2 ASP 8 2HB ASP 8 0.175 -2.402 -7.903 64 HB3 ASP 8 3HB ASP 8 0.465 -2.870 -9.576 65 HA PRO 9 HA PRO 9 -0.171 -7.416 -10.495 66 HB2 PRO 9 2HB PRO 9 0.931 -6.831 -12.906 67 HB3 PRO 9 3HB PRO 9 -0.812 -6.991 -12.660 68 HG2 PRO 9 2HG PRO 9 0.860 -4.512 -12.808 69 HG3 PRO 9 3HG PRO 9 -0.722 -4.839 -13.538 70 HD2 PRO 9 2HD PRO 9 -0.437 -3.398 -11.263 71 HD3 PRO 9 3HD PRO 9 -1.855 -4.420 -11.574 72 H ARG 10 HN ARG 10 1.718 -4.637 -9.955 73 HA ARG 10 HA ARG 10 4.248 -6.063 -10.294 74 HB2 ARG 10 2HB ARG 10 3.475 -3.195 -9.962 75 HB3 ARG 10 3HB ARG 10 5.093 -3.695 -9.490 76 HG2 ARG 10 2HG ARG 10 5.229 -2.904 -11.715 77 HG3 ARG 10 3HG ARG 10 5.361 -4.662 -11.788 78 HD2 ARG 10 2HD ARG 10 3.875 -4.169 -13.505 79 HD3 ARG 10 3HD ARG 10 2.814 -4.618 -12.170 80 HE ARG 10 HE ARG 10 2.056 -2.444 -12.067 81 HH11 ARG 10 2HH1 ARG 10 4.815 -2.645 -14.181 82 HH12 ARG 10 1HH1 ARG 10 4.612 -1.044 -14.812 83 HH21 ARG 10 2HH2 ARG 10 1.778 -0.335 -12.890 84 HH22 ARG 10 1HH2 ARG 10 2.884 0.269 -14.076 85 H ALA 11 HN ALA 11 2.453 -4.284 -7.793 86 HA ALA 11 HA ALA 11 4.233 -4.745 -5.680 87 HB1 ALA 11 1HB ALA 11 2.559 -3.955 -4.252 88 HB2 ALA 11 2HB ALA 11 2.240 -3.145 -5.787 89 HB3 ALA 11 3HB ALA 11 1.265 -4.533 -5.302 90 H GLU 12 HN GLU 12 1.309 -6.541 -6.633 91 HA GLU 12 HA GLU 12 1.059 -8.423 -4.739 92 HB2 GLU 12 2HB GLU 12 0.811 -8.570 -7.707 93 HB3 GLU 12 3HB GLU 12 0.712 -10.068 -6.792 94 HG2 GLU 12 2HG GLU 12 -1.007 -8.650 -5.365 95 HG3 GLU 12 3HG GLU 12 -1.156 -7.772 -6.886 96 H LYS 13 HN LYS 13 3.440 -8.590 -7.373 97 HA LYS 13 HA LYS 13 4.630 -11.005 -6.438 98 HB2 LYS 13 2HB LYS 13 5.639 -8.901 -8.360 99 HB3 LYS 13 3HB LYS 13 6.439 -10.440 -8.066 100 HG2 LYS 13 2HG LYS 13 3.578 -10.436 -8.893 101 HG3 LYS 13 3HG LYS 13 4.828 -10.130 -10.101 102 HD2 LYS 13 2HD LYS 13 5.040 -12.476 -8.249 103 HD3 LYS 13 3HD LYS 13 4.031 -12.562 -9.695 104 HE2 LYS 13 2HE LYS 13 6.018 -11.870 -11.033 105 HE3 LYS 13 3HE LYS 13 6.988 -11.991 -9.567 106 HZ1 LYS 13 3HZ LYS 13 6.261 -14.033 -11.341 107 HZ2 LYS 13 1HZ LYS 13 5.543 -14.364 -9.845 108 HZ3 LYS 13 2HZ LYS 13 7.216 -14.144 -9.949 109 H GLU 14 HN GLU 14 5.439 -7.573 -6.131 110 HA GLU 14 HA GLU 14 7.921 -7.833 -4.888 111 HB2 GLU 14 2HB GLU 14 5.817 -5.696 -4.498 112 HB3 GLU 14 3HB GLU 14 7.490 -5.567 -3.974 113 HG2 GLU 14 2HG GLU 14 6.729 -6.035 -6.838 114 HG3 GLU 14 3HG GLU 14 6.884 -4.423 -6.142 115 H LEU 15 HN LEU 15 4.696 -8.209 -3.626 116 HA LEU 15 HA LEU 15 5.617 -8.264 -0.869 117 HB2 LEU 15 2HB LEU 15 3.370 -7.331 -1.765 118 HB3 LEU 15 3HB LEU 15 2.863 -9.018 -1.769 119 HG LEU 15 HG LEU 15 3.376 -9.107 0.670 120 HD11 LEU 15 1HD1 LEU 15 4.369 -7.436 1.746 121 HD12 LEU 15 2HD1 LEU 15 3.248 -6.250 1.079 122 HD13 LEU 15 3HD1 LEU 15 4.687 -6.711 0.170 123 HD21 LEU 15 3HD2 LEU 15 1.127 -8.338 -0.560 124 HD22 LEU 15 1HD2 LEU 15 1.446 -6.885 0.388 125 HD23 LEU 15 2HD2 LEU 15 1.276 -8.445 1.195 126 H GLU 16 HN GLU 16 4.762 -10.466 -3.425 127 HA GLU 16 HA GLU 16 4.347 -12.780 -1.860 128 HB2 GLU 16 2HB GLU 16 5.002 -12.264 -4.732 129 HB3 GLU 16 3HB GLU 16 5.116 -13.904 -4.111 130 HG2 GLU 16 2HG GLU 16 2.639 -12.293 -3.676 131 HG3 GLU 16 3HG GLU 16 2.921 -13.110 -5.212 132 H LYS 17 HN LYS 17 7.220 -11.223 -3.104 133 HA LYS 17 HA LYS 17 8.987 -13.408 -2.581 134 HB2 LYS 17 2HB LYS 17 10.743 -11.944 -3.198 135 HB3 LYS 17 3HB LYS 17 9.380 -11.512 -4.223 136 HG2 LYS 17 2HG LYS 17 10.043 -9.435 -3.599 137 HG3 LYS 17 3HG LYS 17 8.930 -9.782 -2.273 138 HD2 LYS 17 2HD LYS 17 10.812 -8.992 -1.168 139 HD3 LYS 17 3HD LYS 17 11.023 -10.743 -1.089 140 HE2 LYS 17 2HE LYS 17 12.430 -10.548 -3.172 141 HE3 LYS 17 3HE LYS 17 12.370 -8.800 -2.954 142 HZ1 LYS 17 3HZ LYS 17 13.683 -10.828 -1.267 143 HZ2 LYS 17 1HZ LYS 17 13.232 -9.337 -0.608 144 HZ3 LYS 17 2HZ LYS 17 14.320 -9.395 -1.901 145 H LEU 18 HN LEU 18 7.622 -10.874 -0.689 146 HA LEU 18 HA LEU 18 9.606 -10.792 1.351 147 HB2 LEU 18 2HB LEU 18 6.761 -9.882 1.146 148 HB3 LEU 18 3HB LEU 18 7.613 -9.821 2.687 149 HG LEU 18 HG LEU 18 8.480 -8.401 0.170 150 HD11 LEU 18 1HD1 LEU 18 6.589 -7.697 2.274 151 HD12 LEU 18 2HD1 LEU 18 6.845 -6.972 0.688 152 HD13 LEU 18 3HD1 LEU 18 7.866 -6.502 2.047 153 HD21 LEU 18 3HD2 LEU 18 9.683 -8.803 2.835 154 HD22 LEU 18 1HD2 LEU 18 9.747 -7.163 2.188 155 HD23 LEU 18 2HD2 LEU 18 10.448 -8.499 1.274 156 H ASP 19 HN ASP 19 9.114 -11.406 3.643 157 HA ASP 19 HA ASP 19 8.810 -14.147 3.911 158 HB2 ASP 19 2HB ASP 19 9.691 -12.290 5.570 159 HB3 ASP 19 3HB ASP 19 8.045 -12.373 6.192 160 H ARG 20 HN ARG 20 7.141 -15.397 4.974 161 HA ARG 20 HA ARG 20 4.574 -14.913 3.870 162 HB2 ARG 20 2HB ARG 20 5.474 -16.899 5.964 163 HB3 ARG 20 3HB ARG 20 3.893 -16.908 5.195 164 HG2 ARG 20 2HG ARG 20 6.489 -17.167 3.698 165 HG3 ARG 20 3HG ARG 20 5.517 -18.534 4.245 166 HD2 ARG 20 2HD ARG 20 4.582 -16.353 2.383 167 HD3 ARG 20 3HD ARG 20 5.094 -17.966 1.889 168 HE ARG 20 HE ARG 20 3.063 -18.249 3.781 169 HH11 ARG 20 2HH1 ARG 20 3.500 -17.034 0.548 170 HH12 ARG 20 1HH1 ARG 20 1.874 -17.379 0.058 171 HH21 ARG 20 2HH2 ARG 20 0.920 -18.707 3.149 172 HH22 ARG 20 1HH2 ARG 20 0.407 -18.330 1.539 173 H GLU 21 HN GLU 21 5.634 -15.080 7.276 174 HA GLU 21 HA GLU 21 3.293 -14.284 8.486 175 HB2 GLU 21 2HB GLU 21 5.630 -14.979 9.470 176 HB3 GLU 21 3HB GLU 21 5.894 -13.242 9.534 177 HG2 GLU 21 2HG GLU 21 4.265 -12.912 11.123 178 HG3 GLU 21 3HG GLU 21 3.404 -14.391 10.699 179 H VAL 22 HN VAL 22 5.985 -12.167 7.496 180 HA VAL 22 HA VAL 22 4.896 -9.729 8.208 181 HB VAL 22 HB VAL 22 6.653 -10.357 5.832 182 HG11 VAL 22 1HG1 VAL 22 6.898 -7.694 6.942 183 HG12 VAL 22 2HG1 VAL 22 6.673 -8.202 5.267 184 HG13 VAL 22 3HG1 VAL 22 5.275 -8.000 6.324 185 HG21 VAL 22 3HG2 VAL 22 7.841 -10.985 7.742 186 HG22 VAL 22 1HG2 VAL 22 8.386 -9.337 7.432 187 HG23 VAL 22 2HG2 VAL 22 7.197 -9.649 8.696 188 H ALA 23 HN ALA 23 4.692 -11.303 5.013 189 HA ALA 23 HA ALA 23 3.161 -9.499 3.653 190 HB1 ALA 23 1HB ALA 23 2.098 -12.008 2.959 191 HB2 ALA 23 2HB ALA 23 3.377 -11.109 2.142 192 HB3 ALA 23 3HB ALA 23 3.785 -12.280 3.395 193 H ARG 24 HN ARG 24 1.937 -12.103 5.751 194 HA ARG 24 HA ARG 24 -0.788 -11.542 5.440 195 HB2 ARG 24 2HB ARG 24 0.859 -13.009 7.436 196 HB3 ARG 24 3HB ARG 24 -0.782 -12.582 7.901 197 HG2 ARG 24 2HG ARG 24 -1.090 -14.669 7.006 198 HG3 ARG 24 3HG ARG 24 -1.407 -13.645 5.604 199 HD2 ARG 24 2HD ARG 24 1.376 -14.582 6.096 200 HD3 ARG 24 3HD ARG 24 0.202 -15.726 5.448 201 HE ARG 24 HE ARG 24 1.364 -13.464 4.086 202 HH11 ARG 24 2HH1 ARG 24 -1.261 -15.749 4.177 203 HH12 ARG 24 1HH1 ARG 24 -1.642 -15.576 2.496 204 HH21 ARG 24 2HH2 ARG 24 0.871 -13.227 1.872 205 HH22 ARG 24 1HH2 ARG 24 -0.429 -14.141 1.186 206 H ARG 25 HN ARG 25 1.599 -10.285 7.721 207 HA ARG 25 HA ARG 25 -0.149 -8.869 9.390 208 HB2 ARG 25 2HB ARG 25 1.999 -9.066 10.245 209 HB3 ARG 25 3HB ARG 25 2.757 -8.631 8.718 210 HG2 ARG 25 2HG ARG 25 2.043 -6.310 9.033 211 HG3 ARG 25 3HG ARG 25 1.309 -6.754 10.575 212 HD2 ARG 25 2HD ARG 25 4.227 -7.132 9.921 213 HD3 ARG 25 3HD ARG 25 3.580 -5.720 10.755 214 HE ARG 25 HE ARG 25 3.291 -6.998 12.656 215 HH11 ARG 25 2HH1 ARG 25 4.147 -9.028 9.960 216 HH12 ARG 25 1HH1 ARG 25 4.445 -10.426 10.939 217 HH21 ARG 25 2HH2 ARG 25 3.680 -8.831 13.956 218 HH22 ARG 25 1HH2 ARG 25 4.178 -10.313 13.212 219 H ILE 26 HN ILE 26 1.423 -7.964 6.362 220 HA ILE 26 HA ILE 26 0.615 -5.245 6.397 221 HB ILE 26 HB ILE 26 1.485 -7.051 4.146 222 HG12 ILE 26 2HG1 ILE 26 2.864 -4.693 5.444 223 HG13 ILE 26 3HG1 ILE 26 3.153 -6.371 5.888 224 HG21 ILE 26 1HG2 ILE 26 -0.056 -5.321 3.304 225 HG22 ILE 26 2HG2 ILE 26 0.979 -4.082 4.012 226 HG23 ILE 26 3HG2 ILE 26 1.591 -5.105 2.713 227 HD11 ILE 26 3HD1 ILE 26 3.430 -5.825 3.031 228 HD12 ILE 26 1HD1 ILE 26 4.581 -4.968 4.056 229 HD13 ILE 26 2HD1 ILE 26 4.476 -6.728 4.126 230 H LEU 27 HN LEU 27 -0.553 -7.915 4.334 231 HA LEU 27 HA LEU 27 -2.691 -6.733 3.151 232 HB2 LEU 27 2HB LEU 27 -2.437 -9.530 4.226 233 HB3 LEU 27 3HB LEU 27 -3.800 -9.004 3.240 234 HG LEU 27 HG LEU 27 -0.937 -8.891 2.306 235 HD11 LEU 27 1HD1 LEU 27 -1.376 -11.191 2.687 236 HD12 LEU 27 2HD1 LEU 27 -1.581 -10.911 0.958 237 HD13 LEU 27 3HD1 LEU 27 -2.995 -11.065 2.000 238 HD21 LEU 27 3HD2 LEU 27 -3.602 -8.331 1.109 239 HD22 LEU 27 1HD2 LEU 27 -2.350 -9.030 0.083 240 HD23 LEU 27 2HD2 LEU 27 -2.066 -7.491 0.896 241 H ARG 28 HN ARG 28 -2.748 -8.332 6.331 242 HA ARG 28 HA ARG 28 -5.434 -7.852 6.927 243 HB2 ARG 28 2HB ARG 28 -2.993 -8.464 8.513 244 HB3 ARG 28 3HB ARG 28 -4.388 -7.846 9.387 245 HG2 ARG 28 2HG ARG 28 -4.816 -10.084 7.485 246 HG3 ARG 28 3HG ARG 28 -4.005 -10.428 9.015 247 HD2 ARG 28 2HD ARG 28 -5.856 -9.863 10.275 248 HD3 ARG 28 3HD ARG 28 -6.531 -8.837 9.010 249 HE ARG 28 HE ARG 28 -6.852 -11.698 9.295 250 HH11 ARG 28 2HH1 ARG 28 -7.125 -8.926 7.207 251 HH12 ARG 28 1HH1 ARG 28 -8.265 -9.679 6.140 252 HH21 ARG 28 2HH2 ARG 28 -8.352 -12.700 7.898 253 HH22 ARG 28 1HH2 ARG 28 -8.962 -11.825 6.535 254 H PHE 29 HN PHE 29 -2.551 -5.913 7.655 255 HA PHE 29 HA PHE 29 -3.727 -3.908 9.160 256 HB2 PHE 29 2HB PHE 29 -1.390 -3.845 9.065 257 HB3 PHE 29 3HB PHE 29 -1.364 -3.946 7.307 258 HD1 PHE 29 1HD PHE 29 -2.110 -1.714 10.155 259 HD2 PHE 29 2HD PHE 29 -1.358 -2.008 5.976 260 HE1 PHE 29 1HE PHE 29 -1.901 0.734 10.024 261 HE2 PHE 29 2HE PHE 29 -1.146 0.439 5.839 262 HZ PHE 29 HZ PHE 29 -1.417 1.814 7.864 263 H LEU 30 HN LEU 30 -3.724 -4.389 5.692 264 HA LEU 30 HA LEU 30 -5.002 -1.819 5.215 265 HB2 LEU 30 2HB LEU 30 -4.104 -4.043 3.400 266 HB3 LEU 30 3HB LEU 30 -4.999 -2.640 2.821 267 HG LEU 30 HG LEU 30 -2.419 -2.294 4.306 268 HD11 LEU 30 1HD1 LEU 30 -2.816 -3.305 1.547 269 HD12 LEU 30 2HD1 LEU 30 -1.510 -3.610 2.692 270 HD13 LEU 30 3HD1 LEU 30 -1.565 -2.088 1.803 271 HD21 LEU 30 3HD2 LEU 30 -3.292 -0.214 4.027 272 HD22 LEU 30 1HD2 LEU 30 -4.211 -0.668 2.592 273 HD23 LEU 30 2HD2 LEU 30 -2.477 -0.371 2.471 274 H ARG 31 HN ARG 31 -5.814 -5.193 5.470 275 HA ARG 31 HA ARG 31 -8.482 -4.802 4.391 276 HB2 ARG 31 2HB ARG 31 -6.978 -7.183 5.449 277 HB3 ARG 31 3HB ARG 31 -8.708 -7.258 5.143 278 HG2 ARG 31 2HG ARG 31 -8.389 -6.815 2.820 279 HG3 ARG 31 3HG ARG 31 -6.676 -6.473 3.070 280 HD2 ARG 31 2HD ARG 31 -6.312 -8.790 3.755 281 HD3 ARG 31 3HD ARG 31 -8.026 -9.131 3.525 282 HE ARG 31 HE ARG 31 -7.141 -8.144 1.117 283 HH11 ARG 31 2HH1 ARG 31 -6.329 -10.820 3.191 284 HH12 ARG 31 1HH1 ARG 31 -5.816 -11.842 1.890 285 HH21 ARG 31 2HH2 ARG 31 -6.469 -9.480 -0.605 286 HH22 ARG 31 1HH2 ARG 31 -5.896 -11.079 -0.269 287 H GLU 32 HN GLU 32 -6.967 -4.326 7.325 288 HA GLU 32 HA GLU 32 -9.483 -4.706 8.811 289 HB2 GLU 32 2HB GLU 32 -6.620 -4.778 9.765 290 HB3 GLU 32 3HB GLU 32 -7.999 -4.718 10.854 291 HG2 GLU 32 2HG GLU 32 -7.223 -6.911 8.961 292 HG3 GLU 32 3HG GLU 32 -7.361 -6.976 10.717 293 H ARG 33 HN ARG 33 -6.551 -2.788 9.416 294 HA ARG 33 HA ARG 33 -7.796 -0.659 10.659 295 HB2 ARG 33 2HB ARG 33 -5.324 -0.480 8.930 296 HB3 ARG 33 3HB ARG 33 -5.782 0.619 10.223 297 HG2 ARG 33 2HG ARG 33 -5.424 -2.269 10.848 298 HG3 ARG 33 3HG ARG 33 -4.000 -1.253 10.615 299 HD2 ARG 33 2HD ARG 33 -4.496 0.083 12.444 300 HD3 ARG 33 3HD ARG 33 -6.202 -0.362 12.432 301 HE ARG 33 HE ARG 33 -4.911 -2.691 12.999 302 HH11 ARG 33 2HH1 ARG 33 -4.917 0.500 14.390 303 HH12 ARG 33 1HH1 ARG 33 -4.583 -0.057 15.996 304 HH21 ARG 33 2HH2 ARG 33 -4.472 -3.437 15.109 305 HH22 ARG 33 1HH2 ARG 33 -4.329 -2.297 16.404 306 H VAL 34 HN VAL 34 -6.500 -0.470 7.342 307 HA VAL 34 HA VAL 34 -7.892 1.844 6.628 308 HB VAL 34 HB VAL 34 -6.961 -0.355 4.777 309 HG11 VAL 34 1HG1 VAL 34 -8.570 1.429 3.908 310 HG12 VAL 34 2HG1 VAL 34 -7.235 2.564 4.126 311 HG13 VAL 34 3HG1 VAL 34 -7.062 1.197 3.024 312 HG21 VAL 34 3HG2 VAL 34 -5.125 1.685 4.646 313 HG22 VAL 34 1HG2 VAL 34 -5.514 1.616 6.364 314 HG23 VAL 34 2HG2 VAL 34 -4.924 0.175 5.535 315 H ALA 35 HN ALA 35 -8.867 -1.500 6.631 316 HA ALA 35 HA ALA 35 -11.079 -1.310 4.895 317 HB1 ALA 35 1HB ALA 35 -11.825 -3.400 5.904 318 HB2 ALA 35 2HB ALA 35 -10.095 -3.447 5.562 319 HB3 ALA 35 3HB ALA 35 -10.662 -3.194 7.213 320 H THR 36 HN THR 36 -10.890 -1.143 8.448 321 HA THR 36 HA THR 36 -13.672 -0.440 8.688 322 HB THR 36 HB THR 36 -12.618 -1.739 10.461 323 HG1 THR 36 1HG THR 36 -14.270 -0.530 11.257 324 HG21 THR 36 3HG2 THR 36 -10.461 -1.247 10.868 325 HG22 THR 36 1HG2 THR 36 -11.110 -0.032 11.968 326 HG23 THR 36 2HG2 THR 36 -10.640 0.422 10.330 327 H LEU 37 HN LEU 37 -10.723 1.246 8.227 328 HA LEU 37 HA LEU 37 -11.548 3.733 9.388 329 HB2 LEU 37 2HB LEU 37 -9.278 2.861 7.645 330 HB3 LEU 37 3HB LEU 37 -9.581 4.575 7.919 331 HG LEU 37 HG LEU 37 -8.985 2.537 10.064 332 HD11 LEU 37 1HD1 LEU 37 -6.867 3.872 10.266 333 HD12 LEU 37 2HD1 LEU 37 -7.282 4.626 8.727 334 HD13 LEU 37 3HD1 LEU 37 -7.003 2.887 8.809 335 HD21 LEU 37 3HD2 LEU 37 -10.273 5.020 10.236 336 HD22 LEU 37 1HD2 LEU 37 -8.624 5.288 10.801 337 HD23 LEU 37 2HD2 LEU 37 -9.624 4.049 11.558 338 H GLU 38 HN GLU 38 -12.663 5.356 8.490 339 HA GLU 38 HA GLU 38 -13.850 4.954 5.893 340 HB2 GLU 38 2HB GLU 38 -15.351 5.846 7.453 341 HB3 GLU 38 3HB GLU 38 -14.173 6.997 8.068 342 HG2 GLU 38 2HG GLU 38 -14.527 8.484 6.368 343 HG3 GLU 38 3HG GLU 38 -15.056 7.237 5.240 344 H ASP 39 HN ASP 39 -11.390 6.997 7.320 345 HA ASP 39 HA ASP 39 -10.944 8.248 4.690 346 HB2 ASP 39 2HB ASP 39 -10.371 9.234 7.483 347 HB3 ASP 39 3HB ASP 39 -9.652 9.975 6.056 348 HA PRO 40 HA PRO 40 -7.360 5.483 4.963 349 HB2 PRO 40 2HB PRO 40 -6.856 5.537 2.296 350 HB3 PRO 40 3HB PRO 40 -8.082 4.490 3.021 351 HG2 PRO 40 2HG PRO 40 -8.417 7.126 1.643 352 HG3 PRO 40 3HG PRO 40 -9.394 5.654 1.494 353 HD2 PRO 40 2HD PRO 40 -10.156 7.761 3.015 354 HD3 PRO 40 3HD PRO 40 -10.564 6.085 3.433 355 H ARG 41 HN ARG 41 -7.688 8.726 4.533 356 HA ARG 41 HA ARG 41 -4.859 9.137 3.843 357 HB2 ARG 41 2HB ARG 41 -7.288 10.891 3.622 358 HB3 ARG 41 3HB ARG 41 -5.674 11.588 3.634 359 HG2 ARG 41 2HG ARG 41 -5.254 9.810 1.740 360 HG3 ARG 41 3HG ARG 41 -7.008 9.919 1.571 361 HD2 ARG 41 2HD ARG 41 -5.142 12.286 1.540 362 HD3 ARG 41 3HD ARG 41 -5.740 11.474 0.094 363 HE ARG 41 HE ARG 41 -8.008 12.101 1.412 364 HH11 ARG 41 2HH1 ARG 41 -5.209 13.953 0.489 365 HH12 ARG 41 1HH1 ARG 41 -6.085 15.438 0.322 366 HH21 ARG 41 2HH2 ARG 41 -9.173 14.050 1.196 367 HH22 ARG 41 1HH2 ARG 41 -8.340 15.493 0.725 368 H SER 42 HN SER 42 -5.340 8.194 6.376 369 HA SER 42 HA SER 42 -4.780 10.567 8.030 370 HB2 SER 42 2HB SER 42 -6.606 8.259 8.546 371 HB3 SER 42 3HB SER 42 -5.753 8.976 9.913 372 HG SER 42 HG SER 42 -7.913 9.887 8.623 373 H LEU 43 HN LEU 43 -4.291 7.084 7.623 374 HA LEU 43 HA LEU 43 -2.175 6.963 9.558 375 HB2 LEU 43 2HB LEU 43 -3.235 5.037 7.511 376 HB3 LEU 43 3HB LEU 43 -1.820 4.672 8.496 377 HG LEU 43 HG LEU 43 -4.468 5.374 9.730 378 HD11 LEU 43 1HD1 LEU 43 -5.037 3.520 8.402 379 HD12 LEU 43 2HD1 LEU 43 -4.705 2.862 10.004 380 HD13 LEU 43 3HD1 LEU 43 -3.502 2.713 8.723 381 HD21 LEU 43 3HD2 LEU 43 -3.126 5.343 11.522 382 HD22 LEU 43 1HD2 LEU 43 -1.828 4.523 10.654 383 HD23 LEU 43 2HD2 LEU 43 -3.160 3.589 11.335 384 H GLY 44 HN GLY 44 -2.247 6.509 6.014 385 HA2 GLY 44 1HA GLY 44 0.611 6.690 5.811 386 HA3 GLY 44 2HA GLY 44 -0.528 6.617 4.474 387 H GLU 45 HN GLU 45 1.196 8.203 3.698 388 HA GLU 45 HA GLU 45 0.200 10.904 4.238 389 HB2 GLU 45 2HB GLU 45 2.350 11.845 4.517 390 HB3 GLU 45 3HB GLU 45 2.318 10.429 5.557 391 HG2 GLU 45 2HG GLU 45 3.480 9.167 3.745 392 HG3 GLU 45 3HG GLU 45 3.652 10.692 2.876 393 HA PRO 46 HA PRO 46 0.255 11.344 -0.130 394 HB2 PRO 46 2HB PRO 46 0.635 14.022 -0.363 395 HB3 PRO 46 3HB PRO 46 -0.889 13.312 0.183 396 HG2 PRO 46 2HG PRO 46 1.334 14.499 1.799 397 HG3 PRO 46 3HG PRO 46 -0.418 14.699 1.989 398 HD2 PRO 46 2HD PRO 46 1.032 13.011 3.533 399 HD3 PRO 46 3HD PRO 46 -0.655 12.686 3.086 400 H LEU 47 HN LEU 47 2.002 10.395 -1.059 401 HA LEU 47 HA LEU 47 4.685 11.178 -0.639 402 HB2 LEU 47 2HB LEU 47 3.959 8.943 -1.425 403 HB3 LEU 47 3HB LEU 47 3.526 9.664 -2.974 404 HG LEU 47 HG LEU 47 6.325 9.681 -1.858 405 HD11 LEU 47 1HD1 LEU 47 6.823 7.723 -2.941 406 HD12 LEU 47 2HD1 LEU 47 5.469 7.868 -4.061 407 HD13 LEU 47 3HD1 LEU 47 5.182 7.386 -2.389 408 HD21 LEU 47 3HD2 LEU 47 6.775 9.980 -4.370 409 HD22 LEU 47 1HD2 LEU 47 6.165 11.364 -3.463 410 HD23 LEU 47 2HD2 LEU 47 5.071 10.425 -4.479 411 H ARG 48 HN ARG 48 4.981 13.352 -1.013 412 HA ARG 48 HA ARG 48 4.266 14.451 -3.617 413 HB2 ARG 48 2HB ARG 48 5.087 15.583 -0.987 414 HB3 ARG 48 3HB ARG 48 5.447 16.522 -2.430 415 HG2 ARG 48 2HG ARG 48 2.908 16.016 -2.958 416 HG3 ARG 48 3HG ARG 48 2.832 15.848 -1.203 417 HD2 ARG 48 2HD ARG 48 2.406 18.088 -1.425 418 HD3 ARG 48 3HD ARG 48 4.160 18.112 -1.250 419 HE ARG 48 HE ARG 48 3.350 17.933 -3.981 420 HH11 ARG 48 2HH1 ARG 48 3.793 20.132 -1.319 421 HH12 ARG 48 1HH1 ARG 48 4.051 21.514 -2.332 422 HH21 ARG 48 2HH2 ARG 48 3.688 19.744 -5.326 423 HH22 ARG 48 1HH2 ARG 48 3.990 21.292 -4.612 424 H GLY 49 HN GLY 49 5.697 14.998 -5.187 425 HA2 GLY 49 1HA GLY 49 8.461 15.390 -4.822 426 HA3 GLY 49 2HA GLY 49 8.189 13.723 -5.307 427 HA PRO 50 HA PRO 50 7.958 16.918 -8.912 428 HB2 PRO 50 2HB PRO 50 10.569 17.116 -9.630 429 HB3 PRO 50 3HB PRO 50 9.798 18.228 -8.492 430 HG2 PRO 50 2HG PRO 50 11.528 15.848 -7.938 431 HG3 PRO 50 3HG PRO 50 11.549 17.448 -7.175 432 HD2 PRO 50 2HD PRO 50 10.372 15.300 -6.022 433 HD3 PRO 50 3HD PRO 50 9.768 16.954 -5.799 434 H GLU 51 HN GLU 51 9.265 13.869 -8.195 435 HA GLU 51 HA GLU 51 9.520 13.156 -11.031 436 HB2 GLU 51 2HB GLU 51 10.384 11.648 -8.557 437 HB3 GLU 51 3HB GLU 51 10.621 11.101 -10.211 438 HG2 GLU 51 2HG GLU 51 12.272 12.631 -10.631 439 HG3 GLU 51 3HG GLU 51 11.687 13.761 -9.412 440 H LEU 52 HN LEU 52 7.809 12.338 -8.068 441 HA LEU 52 HA LEU 52 6.143 10.434 -9.559 442 HB2 LEU 52 2HB LEU 52 6.479 10.872 -6.597 443 HB3 LEU 52 3HB LEU 52 5.351 9.724 -7.314 444 HG LEU 52 HG LEU 52 7.555 8.790 -8.433 445 HD11 LEU 52 1HD1 LEU 52 8.860 10.694 -7.334 446 HD12 LEU 52 2HD1 LEU 52 9.518 9.064 -7.196 447 HD13 LEU 52 3HD1 LEU 52 8.667 9.790 -5.832 448 HD21 LEU 52 3HD2 LEU 52 5.955 7.665 -6.847 449 HD22 LEU 52 1HD2 LEU 52 6.984 8.230 -5.531 450 HD23 LEU 52 2HD2 LEU 52 7.631 7.126 -6.744 451 H GLY 53 HN GLY 53 3.788 10.392 -8.627 452 HA2 GLY 53 1HA GLY 53 2.760 13.107 -8.988 453 HA3 GLY 53 2HA GLY 53 1.831 11.620 -9.112 454 H ARG 54 HN ARG 54 0.204 12.053 -7.708 455 HA ARG 54 HA ARG 54 0.901 12.909 -4.992 456 HB2 ARG 54 2HB ARG 54 -0.957 13.979 -6.503 457 HB3 ARG 54 3HB ARG 54 -1.915 12.607 -5.963 458 HG2 ARG 54 2HG ARG 54 -2.421 14.388 -4.507 459 HG3 ARG 54 3HG ARG 54 -1.365 13.300 -3.604 460 HD2 ARG 54 2HD ARG 54 -0.557 15.463 -3.158 461 HD3 ARG 54 3HD ARG 54 0.554 14.786 -4.347 462 HE ARG 54 HE ARG 54 -0.055 16.455 -5.771 463 HH11 ARG 54 2HH1 ARG 54 -2.558 16.074 -3.382 464 HH12 ARG 54 1HH1 ARG 54 -3.480 17.429 -3.943 465 HH21 ARG 54 2HH2 ARG 54 -1.260 18.242 -6.519 466 HH22 ARG 54 1HH2 ARG 54 -2.742 18.661 -5.727 467 H PHE 55 HN PHE 55 1.581 10.288 -5.670 468 HA PHE 55 HA PHE 55 -0.379 8.381 -4.981 469 HB2 PHE 55 2HB PHE 55 2.621 8.135 -4.683 470 HB3 PHE 55 3HB PHE 55 1.465 6.810 -4.775 471 HD1 PHE 55 1HD PHE 55 -0.153 7.095 -6.958 472 HD2 PHE 55 2HD PHE 55 3.855 8.474 -6.573 473 HE1 PHE 55 1HE PHE 55 0.094 7.049 -9.406 474 HE2 PHE 55 2HE PHE 55 4.109 8.431 -9.019 475 HZ PHE 55 HZ PHE 55 2.227 7.719 -10.439 476 H TRP 56 HN TRP 56 -0.092 6.886 -3.043 477 HA TRP 56 HA TRP 56 0.142 8.560 -0.639 478 HB2 TRP 56 2HB TRP 56 -2.031 7.300 -1.256 479 HB3 TRP 56 3HB TRP 56 -1.173 5.856 -0.727 480 HD1 TRP 56 1HD TRP 56 -1.746 5.252 1.680 481 HE1 TRP 56 1HE TRP 56 -2.349 6.543 3.824 482 HE3 TRP 56 3HE TRP 56 -1.506 10.021 -0.148 483 HZ2 TRP 56 2HZ TRP 56 -2.680 9.227 4.633 484 HZ3 TRP 56 3HZ TRP 56 -1.980 11.893 1.376 485 HH2 TRP 56 2HH TRP 56 -2.555 11.502 3.716 486 H LYS 57 HN LYS 57 1.093 7.645 1.278 487 HA LYS 57 HA LYS 57 2.914 5.391 0.803 488 HB2 LYS 57 2HB LYS 57 3.959 7.783 0.615 489 HB3 LYS 57 3HB LYS 57 3.854 7.766 2.370 490 HG2 LYS 57 2HG LYS 57 5.300 5.887 2.522 491 HG3 LYS 57 3HG LYS 57 5.236 5.622 0.777 492 HD2 LYS 57 2HD LYS 57 6.302 8.162 1.987 493 HD3 LYS 57 3HD LYS 57 7.324 6.753 1.692 494 HE2 LYS 57 2HE LYS 57 5.621 7.897 -0.491 495 HE3 LYS 57 3HE LYS 57 7.186 8.612 -0.104 496 HZ1 LYS 57 3HZ LYS 57 8.128 7.052 -1.336 497 HZ2 LYS 57 1HZ LYS 57 6.635 6.310 -1.626 498 HZ3 LYS 57 2HZ LYS 57 7.554 5.861 -0.280 499 H TYR 58 HN TYR 58 2.234 3.890 2.189 500 HA TYR 58 HA TYR 58 1.234 4.685 4.816 501 HB2 TYR 58 2HB TYR 58 1.068 2.170 3.187 502 HB3 TYR 58 3HB TYR 58 0.756 2.126 4.918 503 HD1 TYR 58 1HD TYR 58 -0.826 4.312 5.604 504 HD2 TYR 58 2HD TYR 58 -0.852 2.177 1.924 505 HE1 TYR 58 1HE TYR 58 -3.143 5.034 5.209 506 HE2 TYR 58 2HE TYR 58 -3.170 2.894 1.518 507 HH TYR 58 HH TYR 58 -4.933 4.847 3.900 508 H ARG 59 HN ARG 59 1.927 3.478 6.729 509 HA ARG 59 HA ARG 59 4.708 2.531 6.534 510 HB2 ARG 59 2HB ARG 59 5.038 3.558 8.824 511 HB3 ARG 59 3HB ARG 59 4.883 4.694 7.491 512 HG2 ARG 59 2HG ARG 59 2.766 5.376 8.148 513 HG3 ARG 59 3HG ARG 59 2.496 3.928 9.120 514 HD2 ARG 59 2HD ARG 59 4.304 4.713 10.652 515 HD3 ARG 59 3HD ARG 59 4.359 6.216 9.731 516 HE ARG 59 HE ARG 59 1.738 5.559 10.706 517 HH11 ARG 59 2HH1 ARG 59 4.773 7.087 11.465 518 HH12 ARG 59 1HH1 ARG 59 4.095 8.130 12.671 519 HH21 ARG 59 2HH2 ARG 59 0.834 6.927 12.292 520 HH22 ARG 59 1HH2 ARG 59 1.855 8.038 13.141 521 H VAL 60 HN VAL 60 5.070 0.597 7.413 522 HA VAL 60 HA VAL 60 3.181 -0.418 9.428 523 HB VAL 60 HB VAL 60 4.232 -1.943 7.043 524 HG11 VAL 60 1HG1 VAL 60 3.698 -2.936 9.591 525 HG12 VAL 60 2HG1 VAL 60 2.268 -3.331 8.636 526 HG13 VAL 60 3HG1 VAL 60 3.862 -3.865 8.101 527 HG21 VAL 60 3HG2 VAL 60 1.645 -0.689 7.741 528 HG22 VAL 60 1HG2 VAL 60 2.402 -0.931 6.167 529 HG23 VAL 60 2HG2 VAL 60 1.578 -2.271 6.964 530 H GLY 61 HN GLY 61 4.576 -0.161 11.140 531 HA2 GLY 61 1HA GLY 61 6.338 -0.617 12.541 532 HA3 GLY 61 2HA GLY 61 6.359 -2.189 11.757 533 H ASP 62 HN ASP 62 7.698 -2.482 9.891 534 HA ASP 62 HA ASP 62 9.786 -0.440 9.555 535 HB2 ASP 62 2HB ASP 62 10.198 -3.404 9.973 536 HB3 ASP 62 3HB ASP 62 11.454 -2.319 9.383 537 H TYR 63 HN TYR 63 7.490 -0.987 7.921 538 HA TYR 63 HA TYR 63 8.877 -1.550 5.417 539 HB2 TYR 63 2HB TYR 63 6.388 -3.000 6.329 540 HB3 TYR 63 3HB TYR 63 6.948 -2.982 4.660 541 HD1 TYR 63 1HD TYR 63 8.117 -3.833 8.101 542 HD2 TYR 63 2HD TYR 63 8.400 -4.640 3.933 543 HE1 TYR 63 1HE TYR 63 9.577 -5.754 8.578 544 HE2 TYR 63 2HE TYR 63 9.860 -6.563 4.398 545 HH TYR 63 HH TYR 63 11.085 -7.205 7.610 546 H ARG 64 HN ARG 64 8.078 -0.440 3.670 547 HA ARG 64 HA ARG 64 5.954 1.503 4.271 548 HB2 ARG 64 2HB ARG 64 8.091 1.644 2.136 549 HB3 ARG 64 3HB ARG 64 6.930 2.904 2.533 550 HG2 ARG 64 2HG ARG 64 9.031 1.858 4.418 551 HG3 ARG 64 3HG ARG 64 9.184 3.321 3.443 552 HD2 ARG 64 2HD ARG 64 6.945 2.867 5.402 553 HD3 ARG 64 3HD ARG 64 8.457 3.665 5.833 554 HE ARG 64 HE ARG 64 7.144 4.819 3.550 555 HH11 ARG 64 2HH1 ARG 64 7.373 4.806 7.024 556 HH12 ARG 64 1HH1 ARG 64 6.759 6.417 7.200 557 HH21 ARG 64 2HH2 ARG 64 6.336 6.940 3.769 558 HH22 ARG 64 1HH2 ARG 64 6.169 7.629 5.349 559 H LEU 65 HN LEU 65 4.146 1.597 3.055 560 HA LEU 65 HA LEU 65 3.996 -0.153 0.691 561 HB2 LEU 65 2HB LEU 65 1.645 0.381 2.468 562 HB3 LEU 65 3HB LEU 65 1.867 -0.906 1.284 563 HG LEU 65 HG LEU 65 3.447 -0.749 3.842 564 HD11 LEU 65 1HD1 LEU 65 1.105 -0.884 4.437 565 HD12 LEU 65 2HD1 LEU 65 1.892 -2.435 4.727 566 HD13 LEU 65 3HD1 LEU 65 0.869 -2.218 3.307 567 HD21 LEU 65 3HD2 LEU 65 3.309 -3.345 3.176 568 HD22 LEU 65 1HD2 LEU 65 4.595 -2.270 2.627 569 HD23 LEU 65 2HD2 LEU 65 3.228 -2.621 1.569 570 H ILE 66 HN ILE 66 4.144 1.355 -0.894 571 HA ILE 66 HA ILE 66 2.686 3.844 -0.747 572 HB ILE 66 HB ILE 66 4.221 2.686 -3.076 573 HG12 ILE 66 2HG1 ILE 66 5.123 4.677 -0.983 574 HG13 ILE 66 3HG1 ILE 66 5.610 2.986 -1.039 575 HG21 ILE 66 1HG2 ILE 66 3.907 4.631 -4.190 576 HG22 ILE 66 2HG2 ILE 66 2.447 4.684 -3.204 577 HG23 ILE 66 3HG2 ILE 66 3.874 5.598 -2.716 578 HD11 ILE 66 3HD1 ILE 66 7.289 4.559 -1.951 579 HD12 ILE 66 1HD1 ILE 66 6.768 3.329 -3.101 580 HD13 ILE 66 2HD1 ILE 66 6.147 4.975 -3.229 581 H CYS 67 HN CYS 67 0.553 3.798 -1.042 582 HA CYS 67 HA CYS 67 -0.524 2.091 -3.187 583 HB2 CYS 67 2HB CYS 67 -2.019 3.183 -0.796 584 HB3 CYS 67 3HB CYS 67 -2.619 2.026 -1.979 585 HG CYS 67 HG CYS 67 0.102 1.257 -0.084 586 H HIS 68 HN HIS 68 -2.638 2.987 -4.103 587 HA HIS 68 HA HIS 68 -2.359 5.893 -4.509 588 HB2 HIS 68 2HB HIS 68 -1.721 4.505 -6.491 589 HB3 HIS 68 3HB HIS 68 -3.369 3.886 -6.534 590 HD2 HIS 68 2HD HIS 68 -4.480 7.138 -5.892 591 HE1 HIS 68 1HE HIS 68 -3.115 7.573 -9.886 592 HE2 HIS 68 2HE HIS 68 -4.454 8.608 -8.020 593 H ILE 69 HN ILE 69 -3.935 6.791 -3.327 594 HA ILE 69 HA ILE 69 -6.477 5.518 -2.922 595 HB ILE 69 HB ILE 69 -5.578 8.316 -2.225 596 HG12 ILE 69 2HG1 ILE 69 -5.842 5.881 -0.451 597 HG13 ILE 69 3HG1 ILE 69 -4.319 6.441 -1.135 598 HG21 ILE 69 1HG2 ILE 69 -8.094 7.805 -2.455 599 HG22 ILE 69 2HG2 ILE 69 -7.883 6.868 -0.977 600 HG23 ILE 69 3HG2 ILE 69 -7.525 8.595 -0.985 601 HD11 ILE 69 3HD1 ILE 69 -4.101 7.588 0.756 602 HD12 ILE 69 1HD1 ILE 69 -5.294 8.694 0.074 603 HD13 ILE 69 2HD1 ILE 69 -5.806 7.408 1.168 604 H GLN 70 HN GLN 70 -8.098 5.551 -4.319 605 HA GLN 70 HA GLN 70 -8.257 7.765 -6.250 606 HB2 GLN 70 2HB GLN 70 -9.289 4.932 -6.399 607 HB3 GLN 70 3HB GLN 70 -9.693 6.176 -7.574 608 HG2 GLN 70 2HG GLN 70 -7.160 6.436 -7.873 609 HG3 GLN 70 3HG GLN 70 -7.046 4.886 -7.041 610 HE21 GLN 70 1HE2 GLN 70 -6.034 4.856 -9.438 611 HE22 GLN 70 2HE2 GLN 70 -7.072 4.094 -10.590 612 H ASP 71 HN ASP 71 -9.415 9.212 -4.982 613 HA ASP 71 HA ASP 71 -11.649 8.660 -3.423 614 HB2 ASP 71 2HB ASP 71 -10.371 10.822 -3.487 615 HB3 ASP 71 3HB ASP 71 -11.198 11.202 -4.995 616 H ARG 72 HN ARG 72 -11.396 9.293 -6.878 617 HA ARG 72 HA ARG 72 -13.966 9.761 -7.631 618 HB2 ARG 72 2HB ARG 72 -13.446 8.511 -9.734 619 HB3 ARG 72 3HB ARG 72 -12.221 9.687 -9.274 620 HG2 ARG 72 2HG ARG 72 -10.744 7.995 -8.529 621 HG3 ARG 72 3HG ARG 72 -12.005 6.764 -8.617 622 HD2 ARG 72 2HD ARG 72 -11.250 8.274 -11.078 623 HD3 ARG 72 3HD ARG 72 -10.208 6.970 -10.510 624 HE ARG 72 HE ARG 72 -12.848 6.037 -10.591 625 HH11 ARG 72 2HH1 ARG 72 -10.314 7.051 -12.751 626 HH12 ARG 72 1HH1 ARG 72 -10.845 6.043 -14.057 627 HH21 ARG 72 2HH2 ARG 72 -13.558 4.706 -12.302 628 HH22 ARG 72 1HH2 ARG 72 -12.691 4.711 -13.800 629 H GLU 73 HN GLU 73 -12.572 6.648 -6.720 630 HA GLU 73 HA GLU 73 -15.302 5.556 -6.588 631 HB2 GLU 73 2HB GLU 73 -12.817 4.287 -7.711 632 HB3 GLU 73 3HB GLU 73 -14.153 3.308 -7.121 633 HG2 GLU 73 2HG GLU 73 -14.282 5.351 -9.326 634 HG3 GLU 73 3HG GLU 73 -14.293 3.599 -9.518 635 H ALA 74 HN ALA 74 -13.136 6.692 -4.683 636 HA ALA 74 HA ALA 74 -12.250 6.237 -2.620 637 HB1 ALA 74 1HB ALA 74 -14.975 6.022 -2.568 638 HB2 ALA 74 2HB ALA 74 -14.466 4.513 -1.810 639 HB3 ALA 74 3HB ALA 74 -13.927 6.057 -1.149 640 H THR 75 HN THR 75 -11.145 4.541 -4.475 641 HA THR 75 HA THR 75 -10.966 1.996 -2.996 642 HB THR 75 HB THR 75 -10.766 2.485 -5.966 643 HG1 THR 75 1HG THR 75 -12.494 1.052 -6.016 644 HG21 THR 75 3HG2 THR 75 -10.096 -0.042 -4.453 645 HG22 THR 75 1HG2 THR 75 -8.936 1.002 -5.273 646 HG23 THR 75 2HG2 THR 75 -10.153 0.132 -6.207 647 H VAL 76 HN VAL 76 -8.965 1.225 -2.491 648 HA VAL 76 HA VAL 76 -6.690 2.975 -3.155 649 HB VAL 76 HB VAL 76 -6.993 1.109 -0.797 650 HG11 VAL 76 1HG1 VAL 76 -4.926 3.189 -0.758 651 HG12 VAL 76 2HG1 VAL 76 -4.851 1.501 -0.247 652 HG13 VAL 76 3HG1 VAL 76 -4.667 1.918 -1.952 653 HG21 VAL 76 3HG2 VAL 76 -8.049 2.757 0.253 654 HG22 VAL 76 1HG2 VAL 76 -6.688 3.837 -0.052 655 HG23 VAL 76 2HG2 VAL 76 -8.004 3.725 -1.220 656 H LEU 77 HN LEU 77 -5.361 2.165 -4.626 657 HA LEU 77 HA LEU 77 -5.033 -0.758 -4.779 658 HB2 LEU 77 2HB LEU 77 -5.980 0.006 -6.803 659 HB3 LEU 77 3HB LEU 77 -4.879 1.379 -6.885 660 HG LEU 77 HG LEU 77 -3.073 -0.559 -7.056 661 HD11 LEU 77 1HD1 LEU 77 -4.307 -2.500 -6.930 662 HD12 LEU 77 2HD1 LEU 77 -4.187 -2.267 -8.673 663 HD13 LEU 77 3HD1 LEU 77 -5.667 -1.822 -7.825 664 HD21 LEU 77 3HD2 LEU 77 -4.732 0.827 -9.089 665 HD22 LEU 77 1HD2 LEU 77 -3.674 -0.473 -9.638 666 HD23 LEU 77 2HD2 LEU 77 -2.996 0.916 -8.788 667 H VAL 78 HN VAL 78 -3.157 -1.485 -4.051 668 HA VAL 78 HA VAL 78 -1.001 0.153 -3.304 669 HB VAL 78 HB VAL 78 -0.915 -2.811 -3.881 670 HG11 VAL 78 1HG1 VAL 78 1.128 -2.888 -2.921 671 HG12 VAL 78 2HG1 VAL 78 1.197 -1.202 -3.438 672 HG13 VAL 78 3HG1 VAL 78 0.757 -1.599 -1.776 673 HG21 VAL 78 3HG2 VAL 78 -1.478 -1.426 -1.262 674 HG22 VAL 78 1HG2 VAL 78 -2.708 -2.159 -2.293 675 HG23 VAL 78 2HG2 VAL 78 -1.456 -3.164 -1.562 676 H LEU 79 HN LEU 79 0.781 0.841 -4.340 677 HA LEU 79 HA LEU 79 1.069 0.088 -7.167 678 HB2 LEU 79 2HB LEU 79 1.676 2.563 -5.619 679 HB3 LEU 79 3HB LEU 79 2.603 2.213 -7.076 680 HG LEU 79 HG LEU 79 -0.402 2.467 -6.986 681 HD11 LEU 79 1HD1 LEU 79 0.145 4.615 -8.268 682 HD12 LEU 79 2HD1 LEU 79 1.759 4.461 -7.575 683 HD13 LEU 79 3HD1 LEU 79 0.357 4.622 -6.517 684 HD21 LEU 79 3HD2 LEU 79 1.110 1.188 -8.837 685 HD22 LEU 79 1HD2 LEU 79 1.089 2.826 -9.491 686 HD23 LEU 79 2HD2 LEU 79 -0.428 1.981 -9.180 687 H ARG 80 HN ARG 80 3.065 0.925 -4.334 688 HA ARG 80 HA ARG 80 5.050 -1.033 -5.275 689 HB2 ARG 80 2HB ARG 80 5.765 1.335 -5.713 690 HB3 ARG 80 3HB ARG 80 5.733 1.606 -3.976 691 HG2 ARG 80 2HG ARG 80 7.983 1.191 -4.581 692 HG3 ARG 80 3HG ARG 80 7.398 -0.251 -3.748 693 HD2 ARG 80 2HD ARG 80 8.606 -1.018 -5.630 694 HD3 ARG 80 3HD ARG 80 6.899 -1.216 -6.024 695 HE ARG 80 HE ARG 80 7.187 0.247 -7.748 696 HH11 ARG 80 2HH1 ARG 80 9.773 0.702 -5.462 697 HH12 ARG 80 1HH1 ARG 80 10.622 1.842 -6.451 698 HH21 ARG 80 2HH2 ARG 80 8.296 1.747 -9.060 699 HH22 ARG 80 1HH2 ARG 80 9.781 2.437 -8.497 700 H VAL 81 HN VAL 81 6.298 -2.046 -3.633 701 HA VAL 81 HA VAL 81 5.525 -1.593 -0.861 702 HB VAL 81 HB VAL 81 3.895 -3.255 -1.720 703 HG11 VAL 81 1HG1 VAL 81 6.033 -4.274 -3.111 704 HG12 VAL 81 2HG1 VAL 81 5.804 -5.456 -1.820 705 HG13 VAL 81 3HG1 VAL 81 4.469 -5.062 -2.904 706 HG21 VAL 81 3HG2 VAL 81 5.728 -4.678 0.172 707 HG22 VAL 81 1HG2 VAL 81 4.912 -3.192 0.660 708 HG23 VAL 81 2HG2 VAL 81 3.967 -4.599 0.172 709 H GLY 82 HN GLY 82 7.393 -1.423 0.183 710 HA2 GLY 82 1HA GLY 82 9.370 -3.520 -0.015 711 HA3 GLY 82 2HA GLY 82 9.908 -1.972 -0.648 712 H HIS 83 HN HIS 83 11.048 -3.366 1.566 713 HA HIS 83 HA HIS 83 10.172 -2.378 4.051 714 HB2 HIS 83 2HB HIS 83 11.795 -4.291 3.625 715 HB3 HIS 83 3HB HIS 83 13.031 -3.063 3.368 716 HD2 HIS 83 2HD HIS 83 11.930 -5.209 6.149 717 HE1 HIS 83 1HE HIS 83 13.224 -1.639 8.041 718 HE2 HIS 83 2HE HIS 83 12.686 -4.080 8.350 719 H ALA 84 HN ALA 84 10.626 -0.556 5.186 720 HA ALA 84 HA ALA 84 11.004 1.859 4.093 721 HB1 ALA 84 1HB ALA 84 12.357 2.290 6.392 722 HB2 ALA 84 2HB ALA 84 10.601 2.161 6.286 723 HB3 ALA 84 3HB ALA 84 11.560 0.761 6.764 724 H ARG 85 HN ARG 85 13.652 -0.255 5.162 725 HA ARG 85 HA ARG 85 15.855 1.259 4.822 726 HB2 ARG 85 2HB ARG 85 15.282 -1.603 4.251 727 HB3 ARG 85 3HB ARG 85 16.803 -0.951 3.656 728 HG2 ARG 85 2HG ARG 85 15.963 -0.615 6.513 729 HG3 ARG 85 3HG ARG 85 16.795 -2.066 5.950 730 HD2 ARG 85 2HD ARG 85 18.601 -0.589 5.060 731 HD3 ARG 85 3HD ARG 85 17.795 0.774 5.835 732 HE ARG 85 HE ARG 85 18.170 -1.127 7.803 733 HH11 ARG 85 2HH1 ARG 85 20.161 0.761 5.661 734 HH12 ARG 85 1HH1 ARG 85 21.507 0.817 6.750 735 HH21 ARG 85 2HH2 ARG 85 19.936 -1.061 9.245 736 HH22 ARG 85 1HH2 ARG 85 21.378 -0.221 8.788 737 H ASP 86 HN ASP 86 14.562 -0.686 2.123 738 HA ASP 86 HA ASP 86 16.099 0.495 0.122 739 HB2 ASP 86 2HB ASP 86 13.394 -0.843 -0.001 740 HB3 ASP 86 3HB ASP 86 14.289 -0.346 -1.434 741 H VAL 87 HN VAL 87 12.722 1.208 1.013 742 HA VAL 87 HA VAL 87 12.222 3.263 -0.754 743 HB VAL 87 HB VAL 87 11.248 3.366 2.090 744 HG11 VAL 87 1HG1 VAL 87 10.428 4.488 -0.513 745 HG12 VAL 87 2HG1 VAL 87 9.127 3.919 0.535 746 HG13 VAL 87 3HG1 VAL 87 10.255 5.146 1.114 747 HG21 VAL 87 3HG2 VAL 87 10.925 1.213 0.187 748 HG22 VAL 87 1HG2 VAL 87 10.444 1.300 1.881 749 HG23 VAL 87 2HG2 VAL 87 9.373 1.926 0.627 750 H TYR 88 HN TYR 88 12.217 5.568 -0.507 751 HA TYR 88 HA TYR 88 14.666 6.544 0.645 752 HB2 TYR 88 2HB TYR 88 12.506 8.264 -0.551 753 HB3 TYR 88 3HB TYR 88 14.240 8.557 -0.504 754 HD1 TYR 88 2HD TYR 88 11.569 6.611 -2.133 755 HD2 TYR 88 1HD TYR 88 15.694 7.652 -2.174 756 HE1 TYR 88 2HE TYR 88 11.788 5.631 -4.378 757 HE2 TYR 88 1HE TYR 88 15.924 6.676 -4.420 758 HH TYR 88 HH TYR 88 14.734 5.958 -6.246 759 H ARG 89 HN ARG 89 12.004 5.714 2.149 760 HA ARG 89 HA ARG 89 12.439 7.479 4.356 761 HB2 ARG 89 2HB ARG 89 10.142 8.390 4.447 762 HB3 ARG 89 3HB ARG 89 11.037 8.959 3.045 763 HG2 ARG 89 2HG ARG 89 9.282 6.567 2.777 764 HG3 ARG 89 3HG ARG 89 8.560 8.177 2.816 765 HD2 ARG 89 2HD ARG 89 10.803 7.424 0.957 766 HD3 ARG 89 3HD ARG 89 9.102 7.254 0.526 767 HE ARG 89 HE ARG 89 9.606 9.877 1.434 768 HH11 ARG 89 2HH1 ARG 89 10.197 7.778 -1.280 769 HH12 ARG 89 1HH1 ARG 89 10.286 9.072 -2.428 770 HH21 ARG 89 2HH2 ARG 89 9.722 11.589 -0.068 771 HH22 ARG 89 1HH2 ARG 89 10.017 11.240 -1.737 Start of MODEL 12 1 H1 MET 1 HN MET 1 -19.139 5.054 4.276 2 HA MET 1 HA MET 1 -19.142 2.280 3.316 3 HB2 MET 1 2HB MET 1 -19.098 4.945 1.957 4 HB3 MET 1 3HB MET 1 -18.442 3.544 1.122 5 HG2 MET 1 2HG MET 1 -20.606 2.391 1.451 6 HG3 MET 1 3HG MET 1 -21.245 3.873 2.159 7 HE1 MET 1 3HE MET 1 -22.877 3.395 -1.425 8 HE2 MET 1 1HE MET 1 -22.678 2.451 0.052 9 HE3 MET 1 2HE MET 1 -23.311 4.094 0.136 10 H GLY 2 HN GLY 2 -17.302 1.163 3.082 11 HA2 GLY 2 1HA GLY 2 -14.798 2.517 3.776 12 HA3 GLY 2 2HA GLY 2 -15.068 0.780 3.769 13 H TYR 3 HN TYR 3 -12.943 2.427 2.527 14 HA TYR 3 HA TYR 3 -13.362 2.410 -0.295 15 HB2 TYR 3 2HB TYR 3 -10.951 2.776 1.463 16 HB3 TYR 3 3HB TYR 3 -10.785 2.656 -0.285 17 HD1 TYR 3 2HD TYR 3 -13.188 4.419 1.979 18 HD2 TYR 3 1HD TYR 3 -10.409 4.723 -1.228 19 HE1 TYR 3 2HE TYR 3 -13.698 6.816 1.772 20 HE2 TYR 3 1HE TYR 3 -10.910 7.121 -1.443 21 HH TYR 3 HH TYR 3 -11.941 8.965 0.486 22 H ARG 4 HN ARG 4 -12.301 1.073 -1.848 23 HA ARG 4 HA ARG 4 -12.210 -1.701 -1.030 24 HB2 ARG 4 2HB ARG 4 -13.360 -1.241 -3.078 25 HB3 ARG 4 3HB ARG 4 -11.991 -0.341 -3.714 26 HG2 ARG 4 2HG ARG 4 -10.836 -2.220 -4.279 27 HG3 ARG 4 3HG ARG 4 -11.564 -3.187 -2.995 28 HD2 ARG 4 2HD ARG 4 -13.646 -3.311 -4.226 29 HD3 ARG 4 3HD ARG 4 -12.998 -2.251 -5.477 30 HE ARG 4 HE ARG 4 -11.264 -4.373 -5.364 31 HH11 ARG 4 2HH1 ARG 4 -14.675 -3.960 -5.924 32 HH12 ARG 4 1HH1 ARG 4 -14.806 -5.344 -6.958 33 HH21 ARG 4 2HH2 ARG 4 -11.423 -6.197 -6.724 34 HH22 ARG 4 1HH2 ARG 4 -12.955 -6.616 -7.411 35 H ILE 5 HN ILE 5 -10.446 -3.090 -1.262 36 HA ILE 5 HA ILE 5 -7.840 -1.726 -1.313 37 HB ILE 5 HB ILE 5 -8.499 -4.442 -0.169 38 HG12 ILE 5 2HG1 ILE 5 -9.593 -2.667 1.109 39 HG13 ILE 5 3HG1 ILE 5 -8.257 -3.351 2.030 40 HG21 ILE 5 1HG2 ILE 5 -6.310 -4.764 -0.025 41 HG22 ILE 5 2HG2 ILE 5 -6.039 -3.240 -0.869 42 HG23 ILE 5 3HG2 ILE 5 -6.132 -3.269 0.892 43 HD11 ILE 5 3HD1 ILE 5 -8.204 -1.002 2.319 44 HD12 ILE 5 1HD1 ILE 5 -6.862 -1.427 1.257 45 HD13 ILE 5 2HD1 ILE 5 -8.331 -0.721 0.583 46 H GLU 6 HN GLU 6 -6.852 -1.870 -3.214 47 HA GLU 6 HA GLU 6 -6.987 -4.431 -4.667 48 HB2 GLU 6 2HB GLU 6 -7.174 -1.613 -5.643 49 HB3 GLU 6 3HB GLU 6 -6.427 -2.818 -6.683 50 HG2 GLU 6 2HG GLU 6 -9.184 -3.058 -5.505 51 HG3 GLU 6 3HG GLU 6 -8.832 -2.465 -7.127 52 H PHE 7 HN PHE 7 -5.099 -4.867 -6.057 53 HA PHE 7 HA PHE 7 -2.634 -3.563 -5.151 54 HB2 PHE 7 2HB PHE 7 -3.300 -6.485 -4.990 55 HB3 PHE 7 3HB PHE 7 -1.630 -5.968 -5.194 56 HD1 PHE 7 1HD PHE 7 -4.601 -5.439 -3.021 57 HD2 PHE 7 2HD PHE 7 -0.357 -5.430 -3.340 58 HE1 PHE 7 1HE PHE 7 -4.423 -5.080 -0.593 59 HE2 PHE 7 2HE PHE 7 -0.172 -5.073 -0.913 60 HZ PHE 7 HZ PHE 7 -2.206 -4.898 0.464 61 H ASP 8 HN ASP 8 -1.154 -3.243 -6.718 62 HA ASP 8 HA ASP 8 -1.900 -3.604 -9.428 63 HB2 ASP 8 2HB ASP 8 0.460 -2.520 -7.982 64 HB3 ASP 8 3HB ASP 8 0.705 -3.011 -9.656 65 HA PRO 9 HA PRO 9 -0.248 -7.516 -10.519 66 HB2 PRO 9 2HB PRO 9 0.887 -7.040 -12.939 67 HB3 PRO 9 3HB PRO 9 -0.863 -7.075 -12.689 68 HG2 PRO 9 2HG PRO 9 0.978 -4.721 -12.870 69 HG3 PRO 9 3HG PRO 9 -0.625 -4.946 -13.593 70 HD2 PRO 9 2HD PRO 9 -0.234 -3.500 -11.337 71 HD3 PRO 9 3HD PRO 9 -1.721 -4.424 -11.633 72 H ARG 10 HN ARG 10 1.833 -4.868 -10.024 73 HA ARG 10 HA ARG 10 4.257 -6.472 -10.345 74 HB2 ARG 10 2HB ARG 10 3.763 -3.538 -9.881 75 HB3 ARG 10 3HB ARG 10 5.364 -4.245 -9.709 76 HG2 ARG 10 2HG ARG 10 3.851 -4.742 -12.221 77 HG3 ARG 10 3HG ARG 10 4.586 -3.158 -11.965 78 HD2 ARG 10 2HD ARG 10 6.757 -4.131 -11.720 79 HD3 ARG 10 3HD ARG 10 6.082 -5.759 -11.711 80 HE ARG 10 HE ARG 10 5.385 -4.475 -14.113 81 HH11 ARG 10 2HH1 ARG 10 8.152 -5.813 -12.477 82 HH12 ARG 10 1HH1 ARG 10 8.987 -6.213 -13.941 83 HH21 ARG 10 2HH2 ARG 10 6.476 -4.997 -16.048 84 HH22 ARG 10 1HH2 ARG 10 8.033 -5.748 -15.971 85 H ALA 11 HN ALA 11 2.697 -4.445 -7.864 86 HA ALA 11 HA ALA 11 4.416 -5.038 -5.755 87 HB1 ALA 11 1HB ALA 11 1.556 -4.705 -5.089 88 HB2 ALA 11 2HB ALA 11 2.976 -3.869 -4.459 89 HB3 ALA 11 3HB ALA 11 2.306 -3.410 -6.024 90 H GLU 12 HN GLU 12 1.367 -6.632 -6.674 91 HA GLU 12 HA GLU 12 0.988 -8.453 -4.736 92 HB2 GLU 12 2HB GLU 12 0.673 -8.593 -7.689 93 HB3 GLU 12 3HB GLU 12 0.530 -10.098 -6.792 94 HG2 GLU 12 2HG GLU 12 -1.052 -7.627 -6.141 95 HG3 GLU 12 3HG GLU 12 -1.618 -8.891 -7.232 96 H LYS 13 HN LYS 13 3.229 -8.966 -7.458 97 HA LYS 13 HA LYS 13 4.265 -11.409 -6.480 98 HB2 LYS 13 2HB LYS 13 5.504 -9.420 -8.391 99 HB3 LYS 13 3HB LYS 13 6.061 -11.069 -8.140 100 HG2 LYS 13 2HG LYS 13 3.225 -10.648 -8.917 101 HG3 LYS 13 3HG LYS 13 4.477 -10.432 -10.143 102 HD2 LYS 13 2HD LYS 13 5.352 -12.715 -9.383 103 HD3 LYS 13 3HD LYS 13 3.798 -12.897 -8.565 104 HE2 LYS 13 2HE LYS 13 3.376 -13.890 -10.604 105 HE3 LYS 13 3HE LYS 13 2.812 -12.243 -10.884 106 HZ1 LYS 13 3HZ LYS 13 4.350 -11.926 -12.440 107 HZ2 LYS 13 1HZ LYS 13 4.609 -13.598 -12.413 108 HZ3 LYS 13 2HZ LYS 13 5.590 -12.575 -11.490 109 H GLU 14 HN GLU 14 5.355 -8.054 -6.196 110 HA GLU 14 HA GLU 14 7.821 -8.484 -4.989 111 HB2 GLU 14 2HB GLU 14 5.867 -6.229 -4.501 112 HB3 GLU 14 3HB GLU 14 7.565 -6.213 -4.047 113 HG2 GLU 14 2HG GLU 14 6.768 -6.672 -6.888 114 HG3 GLU 14 3HG GLU 14 6.815 -5.041 -6.221 115 H LEU 15 HN LEU 15 4.613 -8.192 -3.507 116 HA LEU 15 HA LEU 15 5.493 -8.387 -0.830 117 HB2 LEU 15 2HB LEU 15 3.225 -7.616 -1.769 118 HB3 LEU 15 3HB LEU 15 2.811 -9.329 -1.786 119 HG LEU 15 HG LEU 15 3.382 -9.314 0.704 120 HD11 LEU 15 1HD1 LEU 15 2.980 -7.022 1.723 121 HD12 LEU 15 2HD1 LEU 15 3.326 -6.369 0.122 122 HD13 LEU 15 3HD1 LEU 15 4.555 -7.298 0.979 123 HD21 LEU 15 3HD2 LEU 15 1.158 -9.532 0.577 124 HD22 LEU 15 1HD2 LEU 15 1.019 -8.328 -0.704 125 HD23 LEU 15 2HD2 LEU 15 1.111 -7.815 0.981 126 H GLU 16 HN GLU 16 4.345 -10.805 -3.151 127 HA GLU 16 HA GLU 16 4.229 -13.023 -1.497 128 HB2 GLU 16 2HB GLU 16 4.931 -12.741 -4.412 129 HB3 GLU 16 3HB GLU 16 4.848 -14.312 -3.628 130 HG2 GLU 16 2HG GLU 16 2.567 -14.192 -3.321 131 HG3 GLU 16 3HG GLU 16 2.542 -12.433 -3.423 132 H LYS 17 HN LYS 17 7.016 -11.589 -3.122 133 HA LYS 17 HA LYS 17 8.889 -13.595 -2.552 134 HB2 LYS 17 2HB LYS 17 9.019 -10.709 -3.262 135 HB3 LYS 17 3HB LYS 17 10.470 -11.440 -2.589 136 HG2 LYS 17 2HG LYS 17 10.804 -12.786 -4.403 137 HG3 LYS 17 3HG LYS 17 9.089 -12.842 -4.816 138 HD2 LYS 17 2HD LYS 17 9.216 -10.499 -5.564 139 HD3 LYS 17 3HD LYS 17 10.942 -10.489 -5.196 140 HE2 LYS 17 2HE LYS 17 9.618 -12.361 -7.154 141 HE3 LYS 17 3HE LYS 17 10.429 -10.861 -7.599 142 HZ1 LYS 17 3HZ LYS 17 11.642 -13.224 -7.539 143 HZ2 LYS 17 1HZ LYS 17 11.974 -12.698 -5.966 144 HZ3 LYS 17 2HZ LYS 17 12.452 -11.761 -7.291 145 H LEU 18 HN LEU 18 7.866 -10.768 -0.691 146 HA LEU 18 HA LEU 18 9.756 -10.885 1.353 147 HB2 LEU 18 2HB LEU 18 6.902 -9.949 1.307 148 HB3 LEU 18 3HB LEU 18 7.913 -9.813 2.745 149 HG LEU 18 HG LEU 18 8.697 -8.585 0.115 150 HD11 LEU 18 1HD1 LEU 18 6.776 -7.394 0.407 151 HD12 LEU 18 2HD1 LEU 18 7.859 -6.458 1.436 152 HD13 LEU 18 3HD1 LEU 18 6.758 -7.634 2.154 153 HD21 LEU 18 3HD2 LEU 18 10.574 -8.359 1.330 154 HD22 LEU 18 1HD2 LEU 18 9.740 -8.636 2.859 155 HD23 LEU 18 2HD2 LEU 18 9.697 -7.041 2.108 156 H ASP 19 HN ASP 19 8.950 -11.324 3.736 157 HA ASP 19 HA ASP 19 8.703 -14.121 3.992 158 HB2 ASP 19 2HB ASP 19 9.700 -12.389 5.643 159 HB3 ASP 19 3HB ASP 19 8.044 -12.207 6.215 160 H ARG 20 HN ARG 20 6.997 -15.296 5.113 161 HA ARG 20 HA ARG 20 4.445 -14.758 3.986 162 HB2 ARG 20 2HB ARG 20 5.594 -17.015 4.764 163 HB3 ARG 20 3HB ARG 20 4.754 -16.657 6.267 164 HG2 ARG 20 2HG ARG 20 2.657 -16.861 5.292 165 HG3 ARG 20 3HG ARG 20 3.289 -16.644 3.659 166 HD2 ARG 20 2HD ARG 20 2.754 -18.940 3.872 167 HD3 ARG 20 3HD ARG 20 4.511 -18.825 3.965 168 HE ARG 20 HE ARG 20 3.304 -18.760 6.546 169 HH11 ARG 20 2HH1 ARG 20 4.251 -20.882 3.954 170 HH12 ARG 20 1HH1 ARG 20 4.446 -22.263 4.981 171 HH21 ARG 20 2HH2 ARG 20 3.556 -20.571 7.909 172 HH22 ARG 20 1HH2 ARG 20 4.049 -22.086 7.230 173 H GLU 21 HN GLU 21 5.723 -14.585 7.295 174 HA GLU 21 HA GLU 21 3.335 -13.810 8.549 175 HB2 GLU 21 2HB GLU 21 5.595 -14.570 9.572 176 HB3 GLU 21 3HB GLU 21 6.030 -12.869 9.482 177 HG2 GLU 21 2HG GLU 21 3.770 -12.517 10.731 178 HG3 GLU 21 3HG GLU 21 3.975 -14.212 11.169 179 H VAL 22 HN VAL 22 6.041 -11.833 7.348 180 HA VAL 22 HA VAL 22 5.037 -9.329 8.024 181 HB VAL 22 HB VAL 22 6.724 -10.055 5.624 182 HG11 VAL 22 1HG1 VAL 22 5.589 -7.817 5.535 183 HG12 VAL 22 2HG1 VAL 22 6.496 -7.377 6.983 184 HG13 VAL 22 3HG1 VAL 22 7.351 -7.765 5.490 185 HG21 VAL 22 3HG2 VAL 22 8.555 -10.050 6.948 186 HG22 VAL 22 1HG2 VAL 22 7.916 -8.793 8.008 187 HG23 VAL 22 2HG2 VAL 22 7.387 -10.464 8.203 188 H ALA 23 HN ALA 23 4.660 -11.124 4.973 189 HA ALA 23 HA ALA 23 3.167 -9.281 3.554 190 HB1 ALA 23 1HB ALA 23 2.787 -12.271 3.472 191 HB2 ALA 23 2HB ALA 23 2.401 -11.113 2.198 192 HB3 ALA 23 3HB ALA 23 4.081 -11.401 2.648 193 H ARG 24 HN ARG 24 1.988 -11.832 5.737 194 HA ARG 24 HA ARG 24 -0.744 -11.337 5.442 195 HB2 ARG 24 2HB ARG 24 0.954 -12.643 7.508 196 HB3 ARG 24 3HB ARG 24 -0.697 -12.234 7.954 197 HG2 ARG 24 2HG ARG 24 -1.467 -13.497 5.940 198 HG3 ARG 24 3HG ARG 24 0.200 -14.033 5.719 199 HD2 ARG 24 2HD ARG 24 0.168 -15.061 7.933 200 HD3 ARG 24 3HD ARG 24 -1.487 -14.505 8.174 201 HE ARG 24 HE ARG 24 -1.172 -16.118 5.825 202 HH11 ARG 24 2HH1 ARG 24 -1.657 -16.178 9.272 203 HH12 ARG 24 1HH1 ARG 24 -2.410 -17.738 9.270 204 HH21 ARG 24 2HH2 ARG 24 -2.162 -18.172 5.810 205 HH22 ARG 24 1HH2 ARG 24 -2.697 -18.872 7.300 206 H ARG 25 HN ARG 25 1.552 -10.048 7.831 207 HA ARG 25 HA ARG 25 -0.219 -8.519 9.327 208 HB2 ARG 25 2HB ARG 25 2.010 -8.826 10.122 209 HB3 ARG 25 3HB ARG 25 2.696 -8.098 8.675 210 HG2 ARG 25 2HG ARG 25 2.171 -5.951 9.344 211 HG3 ARG 25 3HG ARG 25 0.906 -6.496 10.448 212 HD2 ARG 25 2HD ARG 25 3.858 -6.969 10.836 213 HD3 ARG 25 3HD ARG 25 2.936 -5.681 11.608 214 HE ARG 25 HE ARG 25 1.829 -8.278 12.083 215 HH11 ARG 25 2HH1 ARG 25 4.250 -5.997 13.114 216 HH12 ARG 25 1HH1 ARG 25 4.340 -6.624 14.727 217 HH21 ARG 25 2HH2 ARG 25 1.939 -9.111 14.203 218 HH22 ARG 25 1HH2 ARG 25 3.026 -8.396 15.345 219 H ILE 26 HN ILE 26 1.571 -7.651 6.391 220 HA ILE 26 HA ILE 26 0.753 -4.966 6.261 221 HB ILE 26 HB ILE 26 1.652 -6.889 4.126 222 HG12 ILE 26 2HG1 ILE 26 2.988 -4.430 5.269 223 HG13 ILE 26 3HG1 ILE 26 3.274 -6.063 5.859 224 HG21 ILE 26 1HG2 ILE 26 1.959 -4.574 2.876 225 HG22 ILE 26 2HG2 ILE 26 0.469 -5.508 2.756 226 HG23 ILE 26 3HG2 ILE 26 0.565 -4.140 3.865 227 HD11 ILE 26 3HD1 ILE 26 3.922 -6.608 3.443 228 HD12 ILE 26 1HD1 ILE 26 4.020 -4.861 3.225 229 HD13 ILE 26 2HD1 ILE 26 5.046 -5.661 4.417 230 H LEU 27 HN LEU 27 -0.451 -7.718 4.329 231 HA LEU 27 HA LEU 27 -2.571 -6.481 3.098 232 HB2 LEU 27 2HB LEU 27 -2.342 -9.307 4.111 233 HB3 LEU 27 3HB LEU 27 -3.647 -8.747 3.067 234 HG LEU 27 HG LEU 27 -0.749 -8.594 2.270 235 HD11 LEU 27 1HD1 LEU 27 -1.175 -10.911 2.663 236 HD12 LEU 27 2HD1 LEU 27 -1.229 -10.636 0.923 237 HD13 LEU 27 3HD1 LEU 27 -2.728 -10.822 1.832 238 HD21 LEU 27 3HD2 LEU 27 -1.482 -7.919 0.239 239 HD22 LEU 27 1HD2 LEU 27 -2.847 -7.332 1.188 240 HD23 LEU 27 2HD2 LEU 27 -2.965 -8.870 0.333 241 H ARG 28 HN ARG 28 -2.605 -8.139 6.245 242 HA ARG 28 HA ARG 28 -5.311 -7.698 6.831 243 HB2 ARG 28 2HB ARG 28 -2.881 -8.367 8.416 244 HB3 ARG 28 3HB ARG 28 -4.295 -7.800 9.294 245 HG2 ARG 28 2HG ARG 28 -4.464 -10.047 7.318 246 HG3 ARG 28 3HG ARG 28 -4.008 -10.313 9.002 247 HD2 ARG 28 2HD ARG 28 -6.261 -10.618 9.173 248 HD3 ARG 28 3HD ARG 28 -6.184 -8.877 9.440 249 HE ARG 28 HE ARG 28 -7.282 -8.559 7.456 250 HH11 ARG 28 2HH1 ARG 28 -6.083 -11.825 7.589 251 HH12 ARG 28 1HH1 ARG 28 -6.916 -12.328 6.156 252 HH21 ARG 28 2HH2 ARG 28 -8.383 -9.209 5.567 253 HH22 ARG 28 1HH2 ARG 28 -8.223 -10.839 5.005 254 H PHE 29 HN PHE 29 -2.428 -5.782 7.596 255 HA PHE 29 HA PHE 29 -3.583 -3.841 9.199 256 HB2 PHE 29 2HB PHE 29 -1.220 -3.852 9.010 257 HB3 PHE 29 3HB PHE 29 -1.283 -3.713 7.256 258 HD1 PHE 29 1HD PHE 29 -1.910 -1.891 10.412 259 HD2 PHE 29 2HD PHE 29 -1.312 -1.614 6.207 260 HE1 PHE 29 1HE PHE 29 -1.705 0.554 10.605 261 HE2 PHE 29 2HE PHE 29 -1.105 0.830 6.394 262 HZ PHE 29 HZ PHE 29 -1.301 1.917 8.595 263 H LEU 30 HN LEU 30 -3.587 -4.156 5.703 264 HA LEU 30 HA LEU 30 -4.900 -1.588 5.352 265 HB2 LEU 30 2HB LEU 30 -3.901 -3.710 3.488 266 HB3 LEU 30 3HB LEU 30 -4.960 -2.424 2.914 267 HG LEU 30 HG LEU 30 -2.467 -1.686 4.374 268 HD11 LEU 30 1HD1 LEU 30 -2.618 -2.903 1.655 269 HD12 LEU 30 2HD1 LEU 30 -1.404 -3.110 2.916 270 HD13 LEU 30 3HD1 LEU 30 -1.450 -1.620 1.974 271 HD21 LEU 30 3HD2 LEU 30 -4.206 -0.034 3.659 272 HD22 LEU 30 1HD2 LEU 30 -3.828 -0.452 1.987 273 HD23 LEU 30 2HD2 LEU 30 -2.591 0.271 3.017 274 H ARG 31 HN ARG 31 -5.711 -4.940 5.600 275 HA ARG 31 HA ARG 31 -8.397 -4.516 4.544 276 HB2 ARG 31 2HB ARG 31 -6.766 -6.906 5.285 277 HB3 ARG 31 3HB ARG 31 -8.519 -7.048 5.295 278 HG2 ARG 31 2HG ARG 31 -8.646 -6.480 2.977 279 HG3 ARG 31 3HG ARG 31 -6.926 -6.088 2.931 280 HD2 ARG 31 2HD ARG 31 -6.287 -8.319 3.087 281 HD3 ARG 31 3HD ARG 31 -7.846 -8.818 3.742 282 HE ARG 31 HE ARG 31 -8.305 -7.849 1.180 283 HH11 ARG 31 2HH1 ARG 31 -6.572 -10.460 2.698 284 HH12 ARG 31 1HH1 ARG 31 -6.736 -11.529 1.344 285 HH21 ARG 31 2HH2 ARG 31 -8.527 -9.247 -0.608 286 HH22 ARG 31 1HH2 ARG 31 -7.847 -10.838 -0.536 287 H GLU 32 HN GLU 32 -6.818 -4.177 7.452 288 HA GLU 32 HA GLU 32 -9.292 -4.662 8.978 289 HB2 GLU 32 2HB GLU 32 -6.407 -4.807 9.851 290 HB3 GLU 32 3HB GLU 32 -7.755 -4.802 10.980 291 HG2 GLU 32 2HG GLU 32 -7.014 -6.890 8.964 292 HG3 GLU 32 3HG GLU 32 -7.180 -7.051 10.712 293 H ARG 33 HN ARG 33 -6.325 -2.764 9.517 294 HA ARG 33 HA ARG 33 -7.552 -0.713 10.947 295 HB2 ARG 33 2HB ARG 33 -5.082 -0.470 9.222 296 HB3 ARG 33 3HB ARG 33 -5.526 0.569 10.569 297 HG2 ARG 33 2HG ARG 33 -5.095 -2.371 10.947 298 HG3 ARG 33 3HG ARG 33 -3.750 -1.228 10.960 299 HD2 ARG 33 2HD ARG 33 -4.342 -1.444 13.210 300 HD3 ARG 33 3HD ARG 33 -5.107 0.061 12.703 301 HE ARG 33 HE ARG 33 -7.129 -0.883 13.161 302 HH11 ARG 33 2HH1 ARG 33 -4.796 -3.426 12.710 303 HH12 ARG 33 1HH1 ARG 33 -5.897 -4.692 13.142 304 HH21 ARG 33 2HH2 ARG 33 -8.589 -2.540 13.732 305 HH22 ARG 33 1HH2 ARG 33 -8.055 -4.187 13.722 306 H VAL 34 HN VAL 34 -6.213 -0.278 7.674 307 HA VAL 34 HA VAL 34 -7.596 2.060 7.086 308 HB VAL 34 HB VAL 34 -6.738 -0.029 5.081 309 HG11 VAL 34 1HG1 VAL 34 -6.329 2.345 3.885 310 HG12 VAL 34 2HG1 VAL 34 -7.826 1.423 3.735 311 HG13 VAL 34 3HG1 VAL 34 -7.717 2.747 4.895 312 HG21 VAL 34 3HG2 VAL 34 -4.796 1.906 5.109 313 HG22 VAL 34 1HG2 VAL 34 -5.198 1.740 6.818 314 HG23 VAL 34 2HG2 VAL 34 -4.682 0.330 5.892 315 H ALA 35 HN ALA 35 -8.416 -1.282 6.162 316 HA ALA 35 HA ALA 35 -10.680 -0.911 4.702 317 HB1 ALA 35 1HB ALA 35 -11.262 -3.108 5.164 318 HB2 ALA 35 2HB ALA 35 -9.525 -3.091 5.471 319 HB3 ALA 35 3HB ALA 35 -10.659 -3.026 6.820 320 H THR 36 HN THR 36 -10.551 -1.114 8.256 321 HA THR 36 HA THR 36 -13.322 -0.572 8.607 322 HB THR 36 HB THR 36 -12.829 -0.348 10.971 323 HG1 THR 36 1HG THR 36 -10.080 -0.716 10.576 324 HG21 THR 36 3HG2 THR 36 -12.919 -2.597 10.614 325 HG22 THR 36 1HG2 THR 36 -11.235 -2.486 11.124 326 HG23 THR 36 2HG2 THR 36 -11.634 -2.569 9.408 327 H LEU 37 HN LEU 37 -10.397 1.416 8.996 328 HA LEU 37 HA LEU 37 -11.370 3.758 9.922 329 HB2 LEU 37 2HB LEU 37 -9.359 3.259 7.751 330 HB3 LEU 37 3HB LEU 37 -9.715 4.884 8.333 331 HG LEU 37 HG LEU 37 -8.724 2.656 10.104 332 HD11 LEU 37 1HD1 LEU 37 -6.707 4.533 9.826 333 HD12 LEU 37 2HD1 LEU 37 -7.301 4.290 8.184 334 HD13 LEU 37 3HD1 LEU 37 -6.741 2.912 9.132 335 HD21 LEU 37 3HD2 LEU 37 -8.314 5.505 10.747 336 HD22 LEU 37 1HD2 LEU 37 -8.717 4.147 11.797 337 HD23 LEU 37 2HD2 LEU 37 -9.977 4.921 10.835 338 H GLU 38 HN GLU 38 -13.056 4.969 9.399 339 HA GLU 38 HA GLU 38 -14.762 4.715 7.316 340 HB2 GLU 38 2HB GLU 38 -13.951 7.290 8.674 341 HB3 GLU 38 3HB GLU 38 -15.368 7.114 7.649 342 HG2 GLU 38 2HG GLU 38 -14.914 5.473 10.123 343 HG3 GLU 38 3HG GLU 38 -15.784 7.005 10.119 344 H ASP 39 HN ASP 39 -11.799 6.642 7.335 345 HA ASP 39 HA ASP 39 -11.941 6.745 4.400 346 HB2 ASP 39 2HB ASP 39 -12.497 8.951 5.739 347 HB3 ASP 39 3HB ASP 39 -10.744 9.046 5.888 348 HA PRO 40 HA PRO 40 -7.864 5.094 4.615 349 HB2 PRO 40 2HB PRO 40 -7.026 5.739 2.115 350 HB3 PRO 40 3HB PRO 40 -8.181 4.440 2.436 351 HG2 PRO 40 2HG PRO 40 -8.691 7.248 1.530 352 HG3 PRO 40 3HG PRO 40 -9.429 5.738 0.964 353 HD2 PRO 40 2HD PRO 40 -10.665 7.399 2.709 354 HD3 PRO 40 3HD PRO 40 -10.891 5.638 2.742 355 H ARG 41 HN ARG 41 -8.549 8.419 4.174 356 HA ARG 41 HA ARG 41 -5.775 9.256 4.125 357 HB2 ARG 41 2HB ARG 41 -8.394 10.745 4.185 358 HB3 ARG 41 3HB ARG 41 -6.846 11.567 4.335 359 HG2 ARG 41 2HG ARG 41 -7.241 9.722 2.041 360 HG3 ARG 41 3HG ARG 41 -8.047 11.292 2.011 361 HD2 ARG 41 2HD ARG 41 -5.762 12.278 2.578 362 HD3 ARG 41 3HD ARG 41 -5.106 10.698 2.153 363 HE ARG 41 HE ARG 41 -5.518 11.146 -0.065 364 HH11 ARG 41 2HH1 ARG 41 -7.080 13.532 1.931 365 HH12 ARG 41 1HH1 ARG 41 -7.477 14.573 0.604 366 HH21 ARG 41 2HH2 ARG 41 -6.034 12.508 -1.821 367 HH22 ARG 41 1HH2 ARG 41 -6.882 13.989 -1.530 368 H SER 42 HN SER 42 -6.387 7.690 6.362 369 HA SER 42 HA SER 42 -6.337 9.663 8.550 370 HB2 SER 42 2HB SER 42 -8.240 8.087 8.656 371 HB3 SER 42 3HB SER 42 -7.107 6.736 8.681 372 HG SER 42 HG SER 42 -7.002 7.020 10.748 373 H LEU 43 HN LEU 43 -4.955 6.583 7.451 374 HA LEU 43 HA LEU 43 -2.633 7.081 9.189 375 HB2 LEU 43 2HB LEU 43 -3.873 4.571 8.126 376 HB3 LEU 43 3HB LEU 43 -2.189 4.592 8.646 377 HG LEU 43 HG LEU 43 -4.466 5.397 10.443 378 HD11 LEU 43 1HD1 LEU 43 -3.466 2.718 9.692 379 HD12 LEU 43 2HD1 LEU 43 -5.065 3.224 10.235 380 HD13 LEU 43 3HD1 LEU 43 -3.764 3.011 11.406 381 HD21 LEU 43 3HD2 LEU 43 -2.456 4.432 11.993 382 HD22 LEU 43 1HD2 LEU 43 -2.697 6.136 11.611 383 HD23 LEU 43 2HD2 LEU 43 -1.549 5.177 10.676 384 H GLY 44 HN GLY 44 -0.585 7.115 8.348 385 HA2 GLY 44 1HA GLY 44 1.026 6.663 6.640 386 HA3 GLY 44 2HA GLY 44 -0.281 6.622 5.466 387 H GLU 45 HN GLU 45 1.605 8.043 4.530 388 HA GLU 45 HA GLU 45 0.776 10.824 4.955 389 HB2 GLU 45 2HB GLU 45 3.102 11.589 4.834 390 HB3 GLU 45 3HB GLU 45 2.848 10.532 6.216 391 HG2 GLU 45 2HG GLU 45 4.014 8.767 5.230 392 HG3 GLU 45 3HG GLU 45 3.915 9.482 3.622 393 HA PRO 46 HA PRO 46 0.554 10.950 0.567 394 HB2 PRO 46 2HB PRO 46 0.857 13.618 0.166 395 HB3 PRO 46 3HB PRO 46 -0.621 12.908 0.826 396 HG2 PRO 46 2HG PRO 46 1.648 14.233 2.260 397 HG3 PRO 46 3HG PRO 46 -0.097 14.406 2.526 398 HD2 PRO 46 2HD PRO 46 1.467 12.841 4.087 399 HD3 PRO 46 3HD PRO 46 -0.232 12.454 3.744 400 H LEU 47 HN LEU 47 1.773 11.537 -1.358 401 HA LEU 47 HA LEU 47 4.651 11.878 -0.822 402 HB2 LEU 47 2HB LEU 47 3.648 9.604 -1.708 403 HB3 LEU 47 3HB LEU 47 3.699 10.449 -3.253 404 HG LEU 47 HG LEU 47 6.164 10.340 -1.573 405 HD11 LEU 47 1HD1 LEU 47 6.694 8.187 -2.071 406 HD12 LEU 47 2HD1 LEU 47 5.714 8.165 -3.537 407 HD13 LEU 47 3HD1 LEU 47 4.942 8.016 -1.958 408 HD21 LEU 47 3HD2 LEU 47 6.263 11.714 -3.521 409 HD22 LEU 47 1HD2 LEU 47 5.564 10.442 -4.523 410 HD23 LEU 47 2HD2 LEU 47 7.185 10.247 -3.855 411 H ARG 48 HN ARG 48 5.655 13.486 -1.861 412 HA ARG 48 HA ARG 48 4.378 14.658 -4.231 413 HB2 ARG 48 2HB ARG 48 3.908 15.949 -2.071 414 HB3 ARG 48 3HB ARG 48 5.617 16.361 -2.078 415 HG2 ARG 48 2HG ARG 48 5.421 17.608 -4.058 416 HG3 ARG 48 3HG ARG 48 3.834 16.927 -4.422 417 HD2 ARG 48 2HD ARG 48 4.230 18.468 -1.896 418 HD3 ARG 48 3HD ARG 48 4.052 19.336 -3.421 419 HE ARG 48 HE ARG 48 1.842 18.612 -3.558 420 HH11 ARG 48 2HH1 ARG 48 3.455 17.255 -0.787 421 HH12 ARG 48 1HH1 ARG 48 1.989 16.728 -0.028 422 HH21 ARG 48 2HH2 ARG 48 -0.095 17.924 -2.568 423 HH22 ARG 48 1HH2 ARG 48 -0.029 17.109 -1.043 424 H GLY 49 HN GLY 49 5.748 14.951 -5.871 425 HA2 GLY 49 1HA GLY 49 8.297 15.962 -5.835 426 HA3 GLY 49 2HA GLY 49 8.508 14.236 -5.577 427 HA PRO 50 HA PRO 50 7.956 15.424 -10.169 428 HB2 PRO 50 2HB PRO 50 10.556 15.335 -10.943 429 HB3 PRO 50 3HB PRO 50 9.770 16.816 -10.386 430 HG2 PRO 50 2HG PRO 50 11.555 14.939 -8.885 431 HG3 PRO 50 3HG PRO 50 11.547 16.713 -8.889 432 HD2 PRO 50 2HD PRO 50 10.425 15.255 -6.902 433 HD3 PRO 50 3HD PRO 50 9.787 16.833 -7.407 434 H GLU 51 HN GLU 51 9.321 13.006 -8.222 435 HA GLU 51 HA GLU 51 10.050 11.161 -10.283 436 HB2 GLU 51 2HB GLU 51 9.736 11.024 -7.313 437 HB3 GLU 51 3HB GLU 51 9.813 9.525 -8.228 438 HG2 GLU 51 2HG GLU 51 11.890 11.652 -8.566 439 HG3 GLU 51 3HG GLU 51 11.981 10.479 -7.253 440 H LEU 52 HN LEU 52 7.281 11.405 -8.061 441 HA LEU 52 HA LEU 52 5.777 9.654 -9.893 442 HB2 LEU 52 2HB LEU 52 5.722 9.893 -6.905 443 HB3 LEU 52 3HB LEU 52 4.354 9.225 -7.794 444 HG LEU 52 HG LEU 52 7.115 8.084 -8.093 445 HD11 LEU 52 1HD1 LEU 52 5.598 6.452 -6.372 446 HD12 LEU 52 2HD1 LEU 52 5.536 8.086 -5.712 447 HD13 LEU 52 3HD1 LEU 52 7.094 7.316 -6.015 448 HD21 LEU 52 3HD2 LEU 52 4.337 6.971 -8.473 449 HD22 LEU 52 1HD2 LEU 52 5.837 6.068 -8.683 450 HD23 LEU 52 2HD2 LEU 52 5.469 7.426 -9.747 451 H GLY 53 HN GLY 53 4.936 11.876 -7.232 452 HA2 GLY 53 1HA GLY 53 3.993 14.090 -8.064 453 HA3 GLY 53 2HA GLY 53 2.928 13.078 -9.029 454 H ARG 54 HN ARG 54 1.055 12.412 -8.165 455 HA ARG 54 HA ARG 54 0.583 13.063 -5.338 456 HB2 ARG 54 2HB ARG 54 -1.298 12.804 -7.683 457 HB3 ARG 54 3HB ARG 54 -1.856 12.928 -6.020 458 HG2 ARG 54 2HG ARG 54 -1.990 15.100 -6.877 459 HG3 ARG 54 3HG ARG 54 -0.523 15.087 -5.895 460 HD2 ARG 54 2HD ARG 54 0.871 15.091 -7.755 461 HD3 ARG 54 3HD ARG 54 -0.396 14.494 -8.826 462 HE ARG 54 HE ARG 54 0.156 17.222 -8.165 463 HH11 ARG 54 2HH1 ARG 54 -2.346 14.991 -9.106 464 HH12 ARG 54 1HH1 ARG 54 -3.342 16.210 -9.828 465 HH21 ARG 54 2HH2 ARG 54 -1.147 18.836 -9.113 466 HH22 ARG 54 1HH2 ARG 54 -2.659 18.397 -9.833 467 H PHE 55 HN PHE 55 1.114 11.260 -4.216 468 HA PHE 55 HA PHE 55 -0.573 8.928 -4.597 469 HB2 PHE 55 2HB PHE 55 2.444 8.780 -4.715 470 HB3 PHE 55 3HB PHE 55 1.398 7.382 -4.490 471 HD1 PHE 55 1HD PHE 55 -0.034 6.595 -6.303 472 HD2 PHE 55 2HD PHE 55 2.659 9.845 -6.847 473 HE1 PHE 55 1HE PHE 55 -0.264 6.372 -8.742 474 HE2 PHE 55 2HE PHE 55 2.433 9.628 -9.287 475 HZ PHE 55 HZ PHE 55 0.970 7.891 -10.238 476 H TRP 56 HN TRP 56 -0.749 7.618 -2.749 477 HA TRP 56 HA TRP 56 0.115 8.956 -0.290 478 HB2 TRP 56 2HB TRP 56 -2.346 8.203 -0.894 479 HB3 TRP 56 3HB TRP 56 -1.784 6.648 -0.287 480 HD1 TRP 56 1HD TRP 56 -1.715 6.335 2.287 481 HE1 TRP 56 1HE TRP 56 -2.229 7.849 4.304 482 HE3 TRP 56 3HE TRP 56 -2.170 10.807 -0.149 483 HZ2 TRP 56 2HZ TRP 56 -2.758 10.577 4.797 484 HZ3 TRP 56 3HZ TRP 56 -2.682 12.821 1.168 485 HH2 TRP 56 2HH TRP 56 -2.970 12.706 3.590 486 H LYS 57 HN LYS 57 0.882 7.667 1.510 487 HA LYS 57 HA LYS 57 2.094 5.104 0.742 488 HB2 LYS 57 2HB LYS 57 3.586 7.131 2.394 489 HB3 LYS 57 3HB LYS 57 4.213 5.683 1.618 490 HG2 LYS 57 2HG LYS 57 4.374 6.674 -0.425 491 HG3 LYS 57 3HG LYS 57 3.037 7.785 -0.115 492 HD2 LYS 57 2HD LYS 57 4.987 9.116 -0.139 493 HD3 LYS 57 3HD LYS 57 4.558 8.926 1.563 494 HE2 LYS 57 2HE LYS 57 6.206 7.096 1.736 495 HE3 LYS 57 3HE LYS 57 6.664 7.376 0.057 496 HZ1 LYS 57 3HZ LYS 57 7.206 9.706 0.754 497 HZ2 LYS 57 1HZ LYS 57 8.222 8.512 1.390 498 HZ3 LYS 57 2HZ LYS 57 7.023 9.206 2.360 499 H TYR 58 HN TYR 58 2.522 3.672 2.483 500 HA TYR 58 HA TYR 58 1.220 4.393 5.023 501 HB2 TYR 58 2HB TYR 58 0.896 1.867 3.407 502 HB3 TYR 58 3HB TYR 58 0.484 1.953 5.116 503 HD1 TYR 58 1HD TYR 58 -1.382 3.383 5.871 504 HD2 TYR 58 2HD TYR 58 -0.505 2.865 1.740 505 HE1 TYR 58 1HE TYR 58 -3.605 4.262 5.296 506 HE2 TYR 58 2HE TYR 58 -2.726 3.744 1.153 507 HH TYR 58 HH TYR 58 -5.196 3.848 2.948 508 H ARG 59 HN ARG 59 2.301 3.859 6.835 509 HA ARG 59 HA ARG 59 4.856 2.448 6.498 510 HB2 ARG 59 2HB ARG 59 5.218 4.624 7.376 511 HB3 ARG 59 3HB ARG 59 3.900 4.458 8.528 512 HG2 ARG 59 2HG ARG 59 5.133 3.007 9.899 513 HG3 ARG 59 3HG ARG 59 6.336 2.712 8.641 514 HD2 ARG 59 2HD ARG 59 7.279 4.188 10.286 515 HD3 ARG 59 3HD ARG 59 7.008 5.094 8.797 516 HE ARG 59 HE ARG 59 4.750 5.459 10.340 517 HH11 ARG 59 2HH1 ARG 59 8.159 6.112 10.616 518 HH12 ARG 59 1HH1 ARG 59 7.943 7.506 11.622 519 HH21 ARG 59 2HH2 ARG 59 4.454 7.293 11.665 520 HH22 ARG 59 1HH2 ARG 59 5.835 8.176 12.219 521 H VAL 60 HN VAL 60 5.171 0.522 7.412 522 HA VAL 60 HA VAL 60 3.358 -0.332 9.568 523 HB VAL 60 HB VAL 60 4.187 -1.964 7.166 524 HG11 VAL 60 1HG1 VAL 60 3.894 -3.827 8.338 525 HG12 VAL 60 2HG1 VAL 60 3.724 -2.852 9.799 526 HG13 VAL 60 3HG1 VAL 60 2.298 -3.288 8.857 527 HG21 VAL 60 3HG2 VAL 60 2.320 -1.007 6.356 528 HG22 VAL 60 1HG2 VAL 60 1.486 -2.166 7.391 529 HG23 VAL 60 2HG2 VAL 60 1.757 -0.517 7.954 530 H GLY 61 HN GLY 61 5.043 0.154 11.052 531 HA2 GLY 61 1HA GLY 61 6.804 -0.421 12.407 532 HA3 GLY 61 2HA GLY 61 6.698 -2.026 11.700 533 H ASP 62 HN ASP 62 7.975 -2.540 9.891 534 HA ASP 62 HA ASP 62 10.092 -0.592 9.264 535 HB2 ASP 62 2HB ASP 62 10.601 -3.556 9.464 536 HB3 ASP 62 3HB ASP 62 11.780 -2.249 9.393 537 H TYR 63 HN TYR 63 7.789 -0.921 7.737 538 HA TYR 63 HA TYR 63 8.966 -1.810 5.232 539 HB2 TYR 63 2HB TYR 63 6.395 -2.960 6.328 540 HB3 TYR 63 3HB TYR 63 6.899 -3.111 4.648 541 HD1 TYR 63 1HD TYR 63 8.014 -3.877 8.119 542 HD2 TYR 63 2HD TYR 63 8.250 -4.894 3.994 543 HE1 TYR 63 1HE TYR 63 9.306 -5.889 8.695 544 HE2 TYR 63 2HE TYR 63 9.542 -6.909 4.559 545 HH TYR 63 HH TYR 63 10.736 -7.925 6.217 546 H ARG 64 HN ARG 64 8.393 -0.533 3.574 547 HA ARG 64 HA ARG 64 6.343 1.505 4.091 548 HB2 ARG 64 2HB ARG 64 8.845 1.443 2.468 549 HB3 ARG 64 3HB ARG 64 7.535 2.489 1.937 550 HG2 ARG 64 2HG ARG 64 8.680 2.564 4.715 551 HG3 ARG 64 3HG ARG 64 9.270 3.569 3.390 552 HD2 ARG 64 2HD ARG 64 7.069 4.568 3.140 553 HD3 ARG 64 3HD ARG 64 6.431 3.521 4.407 554 HE ARG 64 HE ARG 64 7.381 4.893 5.985 555 HH11 ARG 64 2HH1 ARG 64 8.643 5.683 2.838 556 HH12 ARG 64 1HH1 ARG 64 9.439 7.125 3.375 557 HH21 ARG 64 2HH2 ARG 64 8.425 6.790 6.704 558 HH22 ARG 64 1HH2 ARG 64 9.315 7.753 5.575 559 H LEU 65 HN LEU 65 4.724 1.944 2.599 560 HA LEU 65 HA LEU 65 4.489 0.152 0.292 561 HB2 LEU 65 2HB LEU 65 2.122 0.704 2.044 562 HB3 LEU 65 3HB LEU 65 2.317 -0.540 0.811 563 HG LEU 65 HG LEU 65 3.905 -0.572 3.362 564 HD11 LEU 65 1HD1 LEU 65 1.417 -2.184 3.008 565 HD12 LEU 65 2HD1 LEU 65 1.319 -0.535 3.625 566 HD13 LEU 65 3HD1 LEU 65 2.271 -1.744 4.487 567 HD21 LEU 65 3HD2 LEU 65 4.864 -2.289 2.327 568 HD22 LEU 65 1HD2 LEU 65 3.706 -2.213 0.998 569 HD23 LEU 65 2HD2 LEU 65 3.323 -3.139 2.449 570 H ILE 66 HN ILE 66 4.018 1.249 -1.489 571 HA ILE 66 HA ILE 66 3.014 3.989 -1.230 572 HB ILE 66 HB ILE 66 3.988 2.751 -3.788 573 HG12 ILE 66 2HG1 ILE 66 5.693 2.412 -1.989 574 HG13 ILE 66 3HG1 ILE 66 6.238 3.461 -3.294 575 HG21 ILE 66 1HG2 ILE 66 3.152 4.780 -4.372 576 HG22 ILE 66 2HG2 ILE 66 3.409 5.471 -2.771 577 HG23 ILE 66 3HG2 ILE 66 4.766 5.297 -3.884 578 HD11 ILE 66 3HD1 ILE 66 5.231 5.285 -1.582 579 HD12 ILE 66 1HD1 ILE 66 5.788 4.047 -0.456 580 HD13 ILE 66 2HD1 ILE 66 6.916 4.766 -1.606 581 H CYS 67 HN CYS 67 0.831 3.890 -1.091 582 HA CYS 67 HA CYS 67 -0.614 2.310 -3.103 583 HB2 CYS 67 2HB CYS 67 -1.410 3.391 -0.407 584 HB3 CYS 67 3HB CYS 67 -2.608 2.833 -1.568 585 HG CYS 67 HG CYS 67 -0.104 0.685 -0.884 586 H HIS 68 HN HIS 68 -2.648 3.302 -3.939 587 HA HIS 68 HA HIS 68 -2.390 6.219 -4.247 588 HB2 HIS 68 2HB HIS 68 -1.571 5.008 -6.266 589 HB3 HIS 68 3HB HIS 68 -3.168 4.287 -6.441 590 HD2 HIS 68 2HD HIS 68 -2.557 8.118 -5.749 591 HE1 HIS 68 1HE HIS 68 -4.446 7.652 -9.519 592 HE2 HIS 68 2HE HIS 68 -3.551 9.291 -7.829 593 H ILE 69 HN ILE 69 -4.106 7.134 -3.347 594 HA ILE 69 HA ILE 69 -6.594 5.699 -3.045 595 HB ILE 69 HB ILE 69 -5.885 8.538 -2.294 596 HG12 ILE 69 2HG1 ILE 69 -6.083 6.051 -0.582 597 HG13 ILE 69 3HG1 ILE 69 -4.577 6.796 -1.108 598 HG21 ILE 69 1HG2 ILE 69 -7.926 8.759 -1.262 599 HG22 ILE 69 2HG2 ILE 69 -8.365 7.797 -2.672 600 HG23 ILE 69 3HG2 ILE 69 -8.156 7.018 -1.104 601 HD11 ILE 69 3HD1 ILE 69 -4.926 7.505 1.102 602 HD12 ILE 69 1HD1 ILE 69 -5.351 8.882 0.084 603 HD13 ILE 69 2HD1 ILE 69 -6.621 7.886 0.796 604 H GLN 70 HN GLN 70 -8.086 5.632 -4.579 605 HA GLN 70 HA GLN 70 -8.181 7.769 -6.582 606 HB2 GLN 70 2HB GLN 70 -9.173 4.932 -6.541 607 HB3 GLN 70 3HB GLN 70 -9.768 6.085 -7.728 608 HG2 GLN 70 2HG GLN 70 -7.613 6.365 -8.669 609 HG3 GLN 70 3HG GLN 70 -6.850 5.494 -7.341 610 HE21 GLN 70 1HE2 GLN 70 -6.001 4.452 -9.427 611 HE22 GLN 70 2HE2 GLN 70 -6.854 3.047 -9.959 612 H ASP 71 HN ASP 71 -9.334 9.368 -5.552 613 HA ASP 71 HA ASP 71 -11.553 9.111 -3.931 614 HB2 ASP 71 2HB ASP 71 -10.568 11.272 -5.748 615 HB3 ASP 71 3HB ASP 71 -12.163 11.437 -5.019 616 H ARG 72 HN ARG 72 -11.388 9.201 -7.456 617 HA ARG 72 HA ARG 72 -13.906 9.539 -8.297 618 HB2 ARG 72 2HB ARG 72 -11.793 7.614 -9.150 619 HB3 ARG 72 3HB ARG 72 -13.396 7.452 -9.855 620 HG2 ARG 72 2HG ARG 72 -13.168 9.982 -10.350 621 HG3 ARG 72 3HG ARG 72 -11.444 9.697 -10.101 622 HD2 ARG 72 2HD ARG 72 -11.323 8.191 -11.898 623 HD3 ARG 72 3HD ARG 72 -13.075 8.000 -11.963 624 HE ARG 72 HE ARG 72 -12.360 10.687 -12.474 625 HH11 ARG 72 2HH1 ARG 72 -12.338 7.525 -13.930 626 HH12 ARG 72 1HH1 ARG 72 -12.432 8.128 -15.552 627 HH21 ARG 72 2HH2 ARG 72 -12.484 11.493 -14.604 628 HH22 ARG 72 1HH2 ARG 72 -12.514 10.385 -15.934 629 H GLU 73 HN GLU 73 -12.724 6.345 -7.222 630 HA GLU 73 HA GLU 73 -15.495 5.695 -6.459 631 HB2 GLU 73 2HB GLU 73 -13.442 4.056 -7.897 632 HB3 GLU 73 3HB GLU 73 -14.640 3.255 -6.890 633 HG2 GLU 73 2HG GLU 73 -15.522 5.230 -8.942 634 HG3 GLU 73 3HG GLU 73 -15.074 3.596 -9.430 635 H ALA 74 HN ALA 74 -13.282 6.843 -4.881 636 HA ALA 74 HA ALA 74 -12.060 6.469 -2.961 637 HB1 ALA 74 1HB ALA 74 -13.564 5.501 -1.153 638 HB2 ALA 74 2HB ALA 74 -14.150 6.937 -1.994 639 HB3 ALA 74 3HB ALA 74 -14.792 5.348 -2.410 640 H THR 75 HN THR 75 -11.050 4.700 -4.642 641 HA THR 75 HA THR 75 -10.909 2.200 -3.087 642 HB THR 75 HB THR 75 -10.889 2.551 -6.082 643 HG1 THR 75 1HG THR 75 -12.931 2.178 -5.353 644 HG21 THR 75 3HG2 THR 75 -9.184 1.021 -5.939 645 HG22 THR 75 1HG2 THR 75 -10.573 -0.064 -5.894 646 HG23 THR 75 2HG2 THR 75 -9.747 0.373 -4.398 647 H VAL 76 HN VAL 76 -8.940 1.613 -2.423 648 HA VAL 76 HA VAL 76 -6.655 3.218 -3.295 649 HB VAL 76 HB VAL 76 -6.785 1.238 -1.019 650 HG11 VAL 76 1HG1 VAL 76 -4.874 3.396 -0.797 651 HG12 VAL 76 2HG1 VAL 76 -4.624 1.653 -0.677 652 HG13 VAL 76 3HG1 VAL 76 -4.605 2.442 -2.255 653 HG21 VAL 76 3HG2 VAL 76 -8.206 3.554 -1.134 654 HG22 VAL 76 1HG2 VAL 76 -7.624 2.806 0.353 655 HG23 VAL 76 2HG2 VAL 76 -6.700 4.106 -0.401 656 H LEU 77 HN LEU 77 -4.851 2.374 -4.244 657 HA LEU 77 HA LEU 77 -4.806 -0.517 -4.769 658 HB2 LEU 77 2HB LEU 77 -5.643 0.328 -6.787 659 HB3 LEU 77 3HB LEU 77 -4.576 1.730 -6.741 660 HG LEU 77 HG LEU 77 -2.714 -0.146 -6.966 661 HD11 LEU 77 1HD1 LEU 77 -5.245 -1.465 -7.737 662 HD12 LEU 77 2HD1 LEU 77 -3.753 -2.152 -7.096 663 HD13 LEU 77 3HD1 LEU 77 -3.859 -1.711 -8.800 664 HD21 LEU 77 3HD2 LEU 77 -2.734 0.246 -9.372 665 HD22 LEU 77 1HD2 LEU 77 -3.067 1.735 -8.487 666 HD23 LEU 77 2HD2 LEU 77 -4.385 0.861 -9.268 667 H VAL 78 HN VAL 78 -2.914 -1.429 -4.312 668 HA VAL 78 HA VAL 78 -0.712 0.179 -3.412 669 HB VAL 78 HB VAL 78 -0.828 -2.812 -3.824 670 HG11 VAL 78 1HG1 VAL 78 1.386 -1.283 -3.430 671 HG12 VAL 78 2HG1 VAL 78 0.934 -1.681 -1.771 672 HG13 VAL 78 3HG1 VAL 78 1.229 -2.970 -2.939 673 HG21 VAL 78 3HG2 VAL 78 -0.937 -1.857 -1.087 674 HG22 VAL 78 1HG2 VAL 78 -2.306 -1.292 -2.045 675 HG23 VAL 78 2HG2 VAL 78 -1.971 -3.019 -1.919 676 H LEU 79 HN LEU 79 0.860 0.971 -4.632 677 HA LEU 79 HA LEU 79 1.178 0.038 -7.368 678 HB2 LEU 79 2HB LEU 79 2.154 2.400 -5.815 679 HB3 LEU 79 3HB LEU 79 2.919 1.965 -7.342 680 HG LEU 79 HG LEU 79 -0.029 2.525 -7.077 681 HD11 LEU 79 1HD1 LEU 79 2.271 4.364 -7.286 682 HD12 LEU 79 2HD1 LEU 79 0.663 4.624 -6.612 683 HD13 LEU 79 3HD1 LEU 79 0.906 4.682 -8.357 684 HD21 LEU 79 3HD2 LEU 79 -0.110 2.468 -9.378 685 HD22 LEU 79 1HD2 LEU 79 1.072 1.203 -9.039 686 HD23 LEU 79 2HD2 LEU 79 1.613 2.801 -9.556 687 H ARG 80 HN ARG 80 3.357 0.709 -4.621 688 HA ARG 80 HA ARG 80 5.024 -1.544 -5.513 689 HB2 ARG 80 2HB ARG 80 5.906 0.848 -6.044 690 HB3 ARG 80 3HB ARG 80 6.257 0.919 -4.322 691 HG2 ARG 80 2HG ARG 80 8.251 0.223 -5.323 692 HG3 ARG 80 3HG ARG 80 7.543 -1.248 -4.653 693 HD2 ARG 80 2HD ARG 80 6.873 -2.020 -6.759 694 HD3 ARG 80 3HD ARG 80 7.052 -0.428 -7.496 695 HE ARG 80 HE ARG 80 9.118 -2.392 -7.070 696 HH11 ARG 80 2HH1 ARG 80 8.403 0.971 -7.616 697 HH12 ARG 80 1HH1 ARG 80 9.968 1.332 -8.267 698 HH21 ARG 80 2HH2 ARG 80 11.181 -1.929 -7.926 699 HH22 ARG 80 1HH2 ARG 80 11.547 -0.318 -8.443 700 H VAL 81 HN VAL 81 6.170 -2.637 -3.868 701 HA VAL 81 HA VAL 81 5.472 -1.931 -1.106 702 HB VAL 81 HB VAL 81 3.878 -3.664 -1.891 703 HG11 VAL 81 1HG1 VAL 81 4.497 -5.519 -2.969 704 HG12 VAL 81 2HG1 VAL 81 6.065 -4.734 -3.177 705 HG13 VAL 81 3HG1 VAL 81 5.804 -5.845 -1.831 706 HG21 VAL 81 3HG2 VAL 81 5.059 -5.388 -0.030 707 HG22 VAL 81 1HG2 VAL 81 5.580 -3.766 0.427 708 HG23 VAL 81 2HG2 VAL 81 3.861 -4.133 0.284 709 H GLY 82 HN GLY 82 7.255 -1.809 0.079 710 HA2 GLY 82 1HA GLY 82 9.315 -3.829 -0.120 711 HA3 GLY 82 2HA GLY 82 9.820 -2.234 -0.661 712 H HIS 83 HN HIS 83 10.948 -3.653 1.522 713 HA HIS 83 HA HIS 83 10.005 -3.039 4.039 714 HB2 HIS 83 2HB HIS 83 12.033 -4.441 3.435 715 HB3 HIS 83 3HB HIS 83 12.927 -2.931 3.288 716 HD2 HIS 83 2HD HIS 83 11.530 -5.286 6.035 717 HE1 HIS 83 1HE HIS 83 13.593 -2.108 7.944 718 HE2 HIS 83 2HE HIS 83 12.537 -4.376 8.237 719 H ALA 84 HN ALA 84 10.796 -1.408 5.587 720 HA ALA 84 HA ALA 84 10.203 1.174 4.847 721 HB1 ALA 84 1HB ALA 84 12.170 0.596 7.039 722 HB2 ALA 84 2HB ALA 84 10.938 1.856 6.959 723 HB3 ALA 84 3HB ALA 84 10.464 0.173 7.188 724 H ARG 85 HN ARG 85 13.296 -0.483 4.717 725 HA ARG 85 HA ARG 85 14.622 1.962 3.809 726 HB2 ARG 85 2HB ARG 85 16.705 0.697 4.041 727 HB3 ARG 85 3HB ARG 85 15.767 0.651 5.528 728 HG2 ARG 85 2HG ARG 85 15.025 -1.589 5.046 729 HG3 ARG 85 3HG ARG 85 15.825 -1.548 3.474 730 HD2 ARG 85 2HD ARG 85 17.173 -1.386 6.167 731 HD3 ARG 85 3HD ARG 85 17.156 -2.785 5.095 732 HE ARG 85 HE ARG 85 18.745 -1.767 3.768 733 HH11 ARG 85 2HH1 ARG 85 17.553 0.474 6.151 734 HH12 ARG 85 1HH1 ARG 85 18.787 1.652 5.850 735 HH21 ARG 85 2HH2 ARG 85 20.374 -0.223 3.362 736 HH22 ARG 85 1HH2 ARG 85 20.391 1.255 4.263 737 H ASP 86 HN ASP 86 13.800 -1.295 2.739 738 HA ASP 86 HA ASP 86 15.170 -1.361 0.322 739 HB2 ASP 86 2HB ASP 86 13.953 -3.281 1.352 740 HB3 ASP 86 3HB ASP 86 12.435 -2.538 0.855 741 H VAL 87 HN VAL 87 11.739 -0.487 0.785 742 HA VAL 87 HA VAL 87 10.941 0.259 -1.648 743 HB VAL 87 HB VAL 87 9.603 0.581 0.416 744 HG11 VAL 87 1HG1 VAL 87 11.026 1.688 1.907 745 HG12 VAL 87 2HG1 VAL 87 11.429 2.942 0.732 746 HG13 VAL 87 3HG1 VAL 87 9.827 2.904 1.468 747 HG21 VAL 87 3HG2 VAL 87 8.482 2.706 -0.351 748 HG22 VAL 87 1HG2 VAL 87 9.772 2.859 -1.544 749 HG23 VAL 87 2HG2 VAL 87 8.691 1.466 -1.588 750 H TYR 88 HN TYR 88 13.319 1.964 0.268 751 HA TYR 88 HA TYR 88 13.777 3.772 -2.013 752 HB2 TYR 88 2HB TYR 88 12.818 4.702 0.279 753 HB3 TYR 88 3HB TYR 88 14.513 4.639 0.747 754 HD1 TYR 88 1HD TYR 88 16.197 5.925 -0.629 755 HD2 TYR 88 2HD TYR 88 11.998 6.445 -1.080 756 HE1 TYR 88 1HE TYR 88 16.590 8.080 -1.747 757 HE2 TYR 88 2HE TYR 88 12.380 8.601 -2.200 758 HH TYR 88 HH TYR 88 13.902 9.992 -3.046 759 H ARG 89 HN ARG 89 15.076 1.440 -2.052 760 HA ARG 89 HA ARG 89 17.551 1.434 -0.648 761 HB2 ARG 89 2HB ARG 89 18.137 -0.450 -2.015 762 HB3 ARG 89 3HB ARG 89 16.439 -0.599 -1.581 763 HG2 ARG 89 2HG ARG 89 15.719 -0.274 -3.716 764 HG3 ARG 89 3HG ARG 89 17.101 0.735 -4.146 765 HD2 ARG 89 2HD ARG 89 17.631 -1.154 -5.311 766 HD3 ARG 89 3HD ARG 89 18.414 -1.526 -3.776 767 HE ARG 89 HE ARG 89 16.899 -3.214 -3.446 768 HH11 ARG 89 2HH1 ARG 89 15.782 -1.147 -6.015 769 HH12 ARG 89 1HH1 ARG 89 14.484 -2.199 -6.473 770 HH21 ARG 89 2HH2 ARG 89 15.193 -4.608 -4.040 771 HH22 ARG 89 1HH2 ARG 89 14.149 -4.167 -5.348 Start of MODEL 13 1 H1 MET 1 HN MET 1 -20.496 3.819 2.666 2 HA MET 1 HA MET 1 -18.108 5.076 3.517 3 HB2 MET 1 2HB MET 1 -20.239 3.455 4.852 4 HB3 MET 1 3HB MET 1 -18.749 3.792 5.724 5 HG2 MET 1 2HG MET 1 -20.643 5.828 4.575 6 HG3 MET 1 3HG MET 1 -20.451 5.415 6.277 7 HE1 MET 1 3HE MET 1 -18.379 6.754 7.846 8 HE2 MET 1 1HE MET 1 -18.634 8.379 7.209 9 HE3 MET 1 2HE MET 1 -19.997 7.270 7.365 10 H GLY 2 HN GLY 2 -16.273 4.166 2.683 11 HA2 GLY 2 1HA GLY 2 -14.651 2.484 3.745 12 HA3 GLY 2 2HA GLY 2 -15.831 1.299 3.205 13 H TYR 3 HN TYR 3 -12.930 1.978 2.497 14 HA TYR 3 HA TYR 3 -13.245 2.403 -0.387 15 HB2 TYR 3 2HB TYR 3 -10.852 2.548 1.443 16 HB3 TYR 3 3HB TYR 3 -10.706 2.585 -0.311 17 HD1 TYR 3 2HD TYR 3 -12.633 4.297 2.401 18 HD2 TYR 3 1HD TYR 3 -10.604 4.654 -1.322 19 HE1 TYR 3 2HE TYR 3 -13.025 6.725 2.426 20 HE2 TYR 3 1HE TYR 3 -10.989 7.083 -1.307 21 HH TYR 3 HH TYR 3 -12.646 8.677 -0.258 22 H ARG 4 HN ARG 4 -12.098 1.032 -1.882 23 HA ARG 4 HA ARG 4 -12.179 -1.754 -1.046 24 HB2 ARG 4 2HB ARG 4 -13.321 -1.241 -3.100 25 HB3 ARG 4 3HB ARG 4 -11.894 -0.447 -3.753 26 HG2 ARG 4 2HG ARG 4 -10.801 -2.446 -4.151 27 HG3 ARG 4 3HG ARG 4 -11.791 -3.333 -2.990 28 HD2 ARG 4 2HD ARG 4 -12.843 -2.169 -5.562 29 HD3 ARG 4 3HD ARG 4 -12.290 -3.834 -5.389 30 HE ARG 4 HE ARG 4 -14.790 -2.758 -4.529 31 HH11 ARG 4 2HH1 ARG 4 -12.375 -5.165 -3.825 32 HH12 ARG 4 1HH1 ARG 4 -13.482 -6.229 -3.021 33 HH21 ARG 4 2HH2 ARG 4 -16.257 -4.150 -3.473 34 HH22 ARG 4 1HH2 ARG 4 -15.690 -5.651 -2.823 35 H ILE 5 HN ILE 5 -10.462 -3.217 -1.359 36 HA ILE 5 HA ILE 5 -7.818 -1.939 -1.301 37 HB ILE 5 HB ILE 5 -8.450 -4.766 -0.471 38 HG12 ILE 5 2HG1 ILE 5 -9.810 -3.297 0.902 39 HG13 ILE 5 3HG1 ILE 5 -8.463 -3.903 1.860 40 HG21 ILE 5 1HG2 ILE 5 -6.289 -4.941 0.043 41 HG22 ILE 5 2HG2 ILE 5 -6.052 -3.462 -0.887 42 HG23 ILE 5 3HG2 ILE 5 -6.277 -3.378 0.860 43 HD11 ILE 5 3HD1 ILE 5 -8.951 -1.511 2.221 44 HD12 ILE 5 1HD1 ILE 5 -7.309 -1.814 1.654 45 HD13 ILE 5 2HD1 ILE 5 -8.530 -1.204 0.536 46 H GLU 6 HN GLU 6 -6.775 -1.964 -3.176 47 HA GLU 6 HA GLU 6 -6.952 -4.388 -4.842 48 HB2 GLU 6 2HB GLU 6 -6.868 -1.495 -5.690 49 HB3 GLU 6 3HB GLU 6 -6.513 -2.818 -6.793 50 HG2 GLU 6 2HG GLU 6 -8.835 -3.711 -5.972 51 HG3 GLU 6 3HG GLU 6 -9.097 -2.018 -5.558 52 H PHE 7 HN PHE 7 -5.063 -4.871 -6.120 53 HA PHE 7 HA PHE 7 -2.588 -3.577 -5.225 54 HB2 PHE 7 2HB PHE 7 -3.285 -6.489 -5.015 55 HB3 PHE 7 3HB PHE 7 -1.608 -5.992 -5.220 56 HD1 PHE 7 1HD PHE 7 -4.579 -5.251 -3.095 57 HD2 PHE 7 2HD PHE 7 -0.343 -5.578 -3.347 58 HE1 PHE 7 1HE PHE 7 -4.408 -4.850 -0.673 59 HE2 PHE 7 2HE PHE 7 -0.164 -5.178 -0.925 60 HZ PHE 7 HZ PHE 7 -2.198 -4.814 0.415 61 H ASP 8 HN ASP 8 -1.024 -3.401 -6.759 62 HA ASP 8 HA ASP 8 -1.791 -3.818 -9.482 63 HB2 ASP 8 2HB ASP 8 0.505 -2.589 -8.058 64 HB3 ASP 8 3HB ASP 8 0.809 -3.161 -9.697 65 HA PRO 9 HA PRO 9 -0.003 -7.711 -10.415 66 HB2 PRO 9 2HB PRO 9 1.159 -7.285 -12.832 67 HB3 PRO 9 3HB PRO 9 -0.593 -7.363 -12.608 68 HG2 PRO 9 2HG PRO 9 1.182 -4.964 -12.843 69 HG3 PRO 9 3HG PRO 9 -0.402 -5.261 -13.583 70 HD2 PRO 9 2HD PRO 9 -0.091 -3.727 -11.374 71 HD3 PRO 9 3HD PRO 9 -1.545 -4.704 -11.661 72 H ARG 10 HN ARG 10 2.011 -4.969 -10.055 73 HA ARG 10 HA ARG 10 4.470 -6.542 -10.225 74 HB2 ARG 10 2HB ARG 10 3.845 -3.618 -10.136 75 HB3 ARG 10 3HB ARG 10 5.436 -4.168 -9.629 76 HG2 ARG 10 2HG ARG 10 4.247 -4.912 -12.284 77 HG3 ARG 10 3HG ARG 10 5.193 -3.442 -12.039 78 HD2 ARG 10 2HD ARG 10 7.142 -4.630 -11.569 79 HD3 ARG 10 3HD ARG 10 6.261 -6.114 -11.208 80 HE ARG 10 HE ARG 10 5.879 -5.363 -13.910 81 HH11 ARG 10 2HH1 ARG 10 8.237 -6.736 -11.749 82 HH12 ARG 10 1HH1 ARG 10 9.044 -7.635 -12.991 83 HH21 ARG 10 2HH2 ARG 10 6.933 -6.542 -15.554 84 HH22 ARG 10 1HH2 ARG 10 8.302 -7.523 -15.155 85 H ALA 11 HN ALA 11 2.662 -4.546 -7.916 86 HA ALA 11 HA ALA 11 4.418 -4.893 -5.738 87 HB1 ALA 11 1HB ALA 11 2.661 -4.012 -4.370 88 HB2 ALA 11 2HB ALA 11 2.656 -3.141 -5.904 89 HB3 ALA 11 3HB ALA 11 1.450 -4.391 -5.595 90 H GLU 12 HN GLU 12 1.447 -6.618 -6.659 91 HA GLU 12 HA GLU 12 1.047 -8.308 -4.593 92 HB2 GLU 12 2HB GLU 12 0.814 -8.682 -7.545 93 HB3 GLU 12 3HB GLU 12 0.600 -10.085 -6.507 94 HG2 GLU 12 2HG GLU 12 -1.042 -8.487 -5.228 95 HG3 GLU 12 3HG GLU 12 -1.083 -7.650 -6.779 96 H LYS 13 HN LYS 13 3.475 -8.759 -7.142 97 HA LYS 13 HA LYS 13 4.491 -11.193 -6.049 98 HB2 LYS 13 2HB LYS 13 5.688 -9.267 -8.050 99 HB3 LYS 13 3HB LYS 13 6.352 -10.850 -7.665 100 HG2 LYS 13 2HG LYS 13 3.532 -10.579 -8.618 101 HG3 LYS 13 3HG LYS 13 4.877 -10.579 -9.761 102 HD2 LYS 13 2HD LYS 13 5.628 -12.732 -8.613 103 HD3 LYS 13 3HD LYS 13 4.029 -12.754 -7.866 104 HE2 LYS 13 2HE LYS 13 3.811 -14.087 -9.781 105 HE3 LYS 13 3HE LYS 13 3.109 -12.536 -10.236 106 HZ1 LYS 13 3HZ LYS 13 4.448 -12.752 -12.003 107 HZ2 LYS 13 1HZ LYS 13 5.479 -13.855 -11.242 108 HZ3 LYS 13 2HZ LYS 13 5.660 -12.197 -10.962 109 H GLU 14 HN GLU 14 5.648 -7.830 -6.056 110 HA GLU 14 HA GLU 14 8.020 -8.182 -4.673 111 HB2 GLU 14 2HB GLU 14 6.096 -5.854 -4.561 112 HB3 GLU 14 3HB GLU 14 7.742 -5.815 -3.947 113 HG2 GLU 14 2HG GLU 14 7.236 -6.571 -6.787 114 HG3 GLU 14 3HG GLU 14 7.210 -4.876 -6.305 115 H LEU 15 HN LEU 15 4.747 -8.227 -3.506 116 HA LEU 15 HA LEU 15 5.520 -8.026 -0.724 117 HB2 LEU 15 2HB LEU 15 3.346 -7.175 -1.773 118 HB3 LEU 15 3HB LEU 15 2.828 -8.860 -1.760 119 HG LEU 15 HG LEU 15 3.500 -8.624 0.811 120 HD11 LEU 15 1HD1 LEU 15 2.347 -6.221 1.256 121 HD12 LEU 15 2HD1 LEU 15 3.274 -5.875 -0.204 122 HD13 LEU 15 3HD1 LEU 15 4.089 -6.497 1.230 123 HD21 LEU 15 3HD2 LEU 15 0.876 -7.431 0.123 124 HD22 LEU 15 1HD2 LEU 15 1.270 -8.752 1.223 125 HD23 LEU 15 2HD2 LEU 15 1.230 -9.036 -0.517 126 H GLU 16 HN GLU 16 3.871 -10.507 -2.692 127 HA GLU 16 HA GLU 16 3.794 -12.574 -0.918 128 HB2 GLU 16 2HB GLU 16 3.433 -13.978 -2.708 129 HB3 GLU 16 3HB GLU 16 3.094 -12.418 -3.443 130 HG2 GLU 16 2HG GLU 16 5.258 -12.363 -4.470 131 HG3 GLU 16 3HG GLU 16 5.748 -13.824 -3.613 132 H LYS 17 HN LYS 17 6.574 -11.470 -2.774 133 HA LYS 17 HA LYS 17 8.319 -13.592 -2.230 134 HB2 LYS 17 2HB LYS 17 8.630 -10.747 -3.042 135 HB3 LYS 17 3HB LYS 17 10.056 -11.572 -2.427 136 HG2 LYS 17 2HG LYS 17 9.649 -13.361 -4.126 137 HG3 LYS 17 3HG LYS 17 8.385 -12.335 -4.808 138 HD2 LYS 17 2HD LYS 17 10.152 -10.529 -5.008 139 HD3 LYS 17 3HD LYS 17 11.339 -11.781 -4.635 140 HE2 LYS 17 2HE LYS 17 9.400 -11.800 -6.946 141 HE3 LYS 17 3HE LYS 17 11.125 -11.449 -7.045 142 HZ1 LYS 17 3HZ LYS 17 11.597 -13.604 -7.089 143 HZ2 LYS 17 1HZ LYS 17 9.945 -13.908 -7.291 144 HZ3 LYS 17 2HZ LYS 17 10.627 -13.936 -5.744 145 H LEU 18 HN LEU 18 7.640 -10.628 -0.423 146 HA LEU 18 HA LEU 18 9.608 -10.750 1.506 147 HB2 LEU 18 2HB LEU 18 6.733 -9.908 1.841 148 HB3 LEU 18 3HB LEU 18 8.033 -9.546 2.975 149 HG LEU 18 HG LEU 18 8.130 -8.621 0.118 150 HD11 LEU 18 1HD1 LEU 18 6.046 -7.908 1.576 151 HD12 LEU 18 2HD1 LEU 18 6.888 -6.758 0.538 152 HD13 LEU 18 3HD1 LEU 18 7.219 -6.789 2.270 153 HD21 LEU 18 3HD2 LEU 18 10.023 -7.623 0.726 154 HD22 LEU 18 1HD2 LEU 18 9.950 -8.564 2.216 155 HD23 LEU 18 2HD2 LEU 18 9.277 -6.934 2.168 156 H ASP 19 HN ASP 19 8.923 -11.130 3.959 157 HA ASP 19 HA ASP 19 8.688 -13.943 4.254 158 HB2 ASP 19 2HB ASP 19 9.923 -12.293 5.779 159 HB3 ASP 19 3HB ASP 19 8.346 -11.942 6.481 160 H ARG 20 HN ARG 20 6.902 -15.121 4.227 161 HA ARG 20 HA ARG 20 4.364 -14.413 3.807 162 HB2 ARG 20 2HB ARG 20 5.484 -16.762 4.336 163 HB3 ARG 20 3HB ARG 20 4.719 -16.507 5.899 164 HG2 ARG 20 2HG ARG 20 3.048 -17.625 4.852 165 HG3 ARG 20 3HG ARG 20 2.621 -15.980 4.378 166 HD2 ARG 20 2HD ARG 20 4.489 -17.534 2.656 167 HD3 ARG 20 3HD ARG 20 2.769 -17.919 2.604 168 HE ARG 20 HE ARG 20 4.051 -15.605 1.511 169 HH11 ARG 20 2HH1 ARG 20 1.077 -16.830 2.844 170 HH12 ARG 20 1HH1 ARG 20 0.081 -15.674 2.023 171 HH21 ARG 20 2HH2 ARG 20 2.750 -14.078 0.425 172 HH22 ARG 20 1HH2 ARG 20 1.034 -14.109 0.647 173 H GLU 21 HN GLU 21 5.955 -14.325 6.952 174 HA GLU 21 HA GLU 21 3.663 -13.708 8.483 175 HB2 GLU 21 2HB GLU 21 6.596 -13.186 8.973 176 HB3 GLU 21 3HB GLU 21 5.342 -12.854 10.159 177 HG2 GLU 21 2HG GLU 21 6.112 -14.925 10.806 178 HG3 GLU 21 3HG GLU 21 4.697 -15.329 9.836 179 H VAL 22 HN VAL 22 6.239 -11.616 7.186 180 HA VAL 22 HA VAL 22 5.123 -9.183 8.048 181 HB VAL 22 HB VAL 22 6.963 -9.721 5.713 182 HG11 VAL 22 1HG1 VAL 22 6.599 -7.088 7.111 183 HG12 VAL 22 2HG1 VAL 22 7.406 -7.421 5.577 184 HG13 VAL 22 3HG1 VAL 22 5.649 -7.534 5.693 185 HG21 VAL 22 3HG2 VAL 22 8.723 -8.963 7.261 186 HG22 VAL 22 1HG2 VAL 22 7.522 -8.855 8.548 187 HG23 VAL 22 2HG2 VAL 22 7.911 -10.420 7.834 188 H ALA 23 HN ALA 23 4.949 -10.824 4.895 189 HA ALA 23 HA ALA 23 3.419 -8.952 3.532 190 HB1 ALA 23 1HB ALA 23 4.373 -11.536 3.043 191 HB2 ALA 23 2HB ALA 23 2.629 -11.614 2.787 192 HB3 ALA 23 3HB ALA 23 3.599 -10.442 1.896 193 H ARG 24 HN ARG 24 2.314 -11.749 5.439 194 HA ARG 24 HA ARG 24 -0.424 -11.423 5.051 195 HB2 ARG 24 2HB ARG 24 1.217 -12.650 7.240 196 HB3 ARG 24 3HB ARG 24 -0.529 -12.533 7.411 197 HG2 ARG 24 2HG ARG 24 -0.760 -13.764 5.263 198 HG3 ARG 24 3HG ARG 24 0.991 -13.991 5.262 199 HD2 ARG 24 2HD ARG 24 0.806 -15.133 7.445 200 HD3 ARG 24 3HD ARG 24 -0.947 -14.968 7.357 201 HE ARG 24 HE ARG 24 -0.164 -16.240 5.032 202 HH11 ARG 24 2HH1 ARG 24 -0.019 -16.847 8.457 203 HH12 ARG 24 1HH1 ARG 24 -0.083 -18.570 8.287 204 HH21 ARG 24 2HH2 ARG 24 -0.249 -18.508 4.795 205 HH22 ARG 24 1HH2 ARG 24 -0.212 -19.513 6.203 206 H ARG 25 HN ARG 25 1.711 -10.006 7.494 207 HA ARG 25 HA ARG 25 -0.251 -8.743 9.040 208 HB2 ARG 25 2HB ARG 25 1.961 -8.916 9.913 209 HB3 ARG 25 3HB ARG 25 2.644 -8.069 8.532 210 HG2 ARG 25 2HG ARG 25 1.976 -6.007 9.290 211 HG3 ARG 25 3HG ARG 25 0.659 -6.671 10.258 212 HD2 ARG 25 2HD ARG 25 3.578 -7.083 10.878 213 HD3 ARG 25 3HD ARG 25 2.599 -5.794 11.577 214 HE ARG 25 HE ARG 25 2.607 -8.549 12.334 215 HH11 ARG 25 2HH1 ARG 25 0.634 -5.687 12.138 216 HH12 ARG 25 1HH1 ARG 25 -0.434 -6.179 13.410 217 HH21 ARG 25 2HH2 ARG 25 1.207 -9.207 14.010 218 HH22 ARG 25 1HH2 ARG 25 -0.107 -8.180 14.475 219 H ILE 26 HN ILE 26 1.598 -7.561 6.250 220 HA ILE 26 HA ILE 26 0.648 -4.947 6.194 221 HB ILE 26 HB ILE 26 1.574 -6.772 3.990 222 HG12 ILE 26 2HG1 ILE 26 2.831 -4.236 5.031 223 HG13 ILE 26 3HG1 ILE 26 3.138 -5.804 5.768 224 HG21 ILE 26 1HG2 ILE 26 0.578 -3.945 3.788 225 HG22 ILE 26 2HG2 ILE 26 1.687 -4.641 2.609 226 HG23 ILE 26 3HG2 ILE 26 0.090 -5.351 2.843 227 HD11 ILE 26 3HD1 ILE 26 4.130 -4.667 3.255 228 HD12 ILE 26 1HD1 ILE 26 4.865 -5.841 4.346 229 HD13 ILE 26 2HD1 ILE 26 3.649 -6.362 3.179 230 H LEU 27 HN LEU 27 -0.543 -7.687 4.238 231 HA LEU 27 HA LEU 27 -2.713 -6.470 3.071 232 HB2 LEU 27 2HB LEU 27 -2.267 -9.296 3.970 233 HB3 LEU 27 3HB LEU 27 -3.757 -8.813 3.162 234 HG LEU 27 HG LEU 27 -1.042 -8.406 1.929 235 HD11 LEU 27 1HD1 LEU 27 -2.881 -10.714 1.360 236 HD12 LEU 27 2HD1 LEU 27 -1.535 -10.823 2.495 237 HD13 LEU 27 3HD1 LEU 27 -1.228 -10.464 0.796 238 HD21 LEU 27 3HD2 LEU 27 -2.338 -7.201 0.553 239 HD22 LEU 27 1HD2 LEU 27 -3.827 -7.931 1.155 240 HD23 LEU 27 2HD2 LEU 27 -2.865 -8.769 -0.062 241 H ARG 28 HN ARG 28 -2.792 -8.387 6.080 242 HA ARG 28 HA ARG 28 -5.436 -7.947 6.761 243 HB2 ARG 28 2HB ARG 28 -3.760 -9.492 7.886 244 HB3 ARG 28 3HB ARG 28 -3.193 -8.083 8.773 245 HG2 ARG 28 2HG ARG 28 -5.124 -7.918 10.015 246 HG3 ARG 28 3HG ARG 28 -6.092 -8.778 8.817 247 HD2 ARG 28 2HD ARG 28 -4.930 -10.860 9.384 248 HD3 ARG 28 3HD ARG 28 -3.974 -9.995 10.586 249 HE ARG 28 HE ARG 28 -6.728 -10.835 10.823 250 HH11 ARG 28 2HH1 ARG 28 -4.210 -8.757 12.030 251 HH12 ARG 28 1HH1 ARG 28 -4.948 -8.546 13.583 252 HH21 ARG 28 2HH2 ARG 28 -7.710 -10.566 12.864 253 HH22 ARG 28 1HH2 ARG 28 -6.939 -9.577 14.057 254 H PHE 29 HN PHE 29 -2.604 -5.939 7.417 255 HA PHE 29 HA PHE 29 -3.809 -4.073 9.116 256 HB2 PHE 29 2HB PHE 29 -1.450 -4.023 8.972 257 HB3 PHE 29 3HB PHE 29 -1.478 -3.886 7.217 258 HD1 PHE 29 1HD PHE 29 -1.985 -2.090 10.380 259 HD2 PHE 29 2HD PHE 29 -1.741 -1.773 6.142 260 HE1 PHE 29 1HE PHE 29 -1.827 0.358 10.576 261 HE2 PHE 29 2HE PHE 29 -1.581 0.675 6.331 262 HZ PHE 29 HZ PHE 29 -1.623 1.744 8.550 263 H LEU 30 HN LEU 30 -3.785 -4.339 5.620 264 HA LEU 30 HA LEU 30 -5.115 -1.777 5.288 265 HB2 LEU 30 2HB LEU 30 -4.125 -3.884 3.395 266 HB3 LEU 30 3HB LEU 30 -5.155 -2.564 2.845 267 HG LEU 30 HG LEU 30 -2.664 -1.892 4.335 268 HD11 LEU 30 1HD1 LEU 30 -1.715 -1.824 1.845 269 HD12 LEU 30 2HD1 LEU 30 -2.787 -3.215 1.691 270 HD13 LEU 30 3HD1 LEU 30 -1.509 -3.217 2.906 271 HD21 LEU 30 3HD2 LEU 30 -4.667 -0.497 2.964 272 HD22 LEU 30 1HD2 LEU 30 -3.233 -0.406 1.942 273 HD23 LEU 30 2HD2 LEU 30 -3.159 0.149 3.615 274 H ARG 31 HN ARG 31 -5.927 -5.099 5.618 275 HA ARG 31 HA ARG 31 -8.574 -4.764 4.452 276 HB2 ARG 31 2HB ARG 31 -7.250 -7.152 5.749 277 HB3 ARG 31 3HB ARG 31 -8.855 -7.166 5.031 278 HG2 ARG 31 2HG ARG 31 -7.905 -6.645 2.854 279 HG3 ARG 31 3HG ARG 31 -6.291 -6.578 3.565 280 HD2 ARG 31 2HD ARG 31 -7.982 -9.032 3.852 281 HD3 ARG 31 3HD ARG 31 -7.069 -8.744 2.371 282 HE ARG 31 HE ARG 31 -5.288 -8.414 4.456 283 HH11 ARG 31 2HH1 ARG 31 -7.299 -10.959 3.191 284 HH12 ARG 31 1HH1 ARG 31 -6.242 -12.230 3.709 285 HH21 ARG 31 2HH2 ARG 31 -3.888 -10.079 5.143 286 HH22 ARG 31 1HH2 ARG 31 -4.302 -11.728 4.819 287 H GLU 32 HN GLU 32 -7.039 -4.506 7.485 288 HA GLU 32 HA GLU 32 -9.615 -4.715 8.892 289 HB2 GLU 32 2HB GLU 32 -6.776 -4.938 9.887 290 HB3 GLU 32 3HB GLU 32 -8.157 -4.794 10.965 291 HG2 GLU 32 2HG GLU 32 -7.490 -7.034 9.086 292 HG3 GLU 32 3HG GLU 32 -7.662 -7.086 10.840 293 H ARG 33 HN ARG 33 -6.610 -2.918 9.530 294 HA ARG 33 HA ARG 33 -7.796 -0.753 10.788 295 HB2 ARG 33 2HB ARG 33 -5.280 -0.661 9.116 296 HB3 ARG 33 3HB ARG 33 -5.720 0.439 10.416 297 HG2 ARG 33 2HG ARG 33 -5.515 -2.464 11.023 298 HG3 ARG 33 3HG ARG 33 -4.031 -1.534 10.802 299 HD2 ARG 33 2HD ARG 33 -4.382 -0.269 12.673 300 HD3 ARG 33 3HD ARG 33 -6.137 -0.406 12.568 301 HE ARG 33 HE ARG 33 -4.404 -2.060 14.073 302 HH11 ARG 33 2HH1 ARG 33 -7.279 -2.168 12.112 303 HH12 ARG 33 1HH1 ARG 33 -7.930 -3.560 12.913 304 HH21 ARG 33 2HH2 ARG 33 -5.251 -3.893 15.135 305 HH22 ARG 33 1HH2 ARG 33 -6.777 -4.539 14.633 306 H VAL 34 HN VAL 34 -6.336 -0.473 7.554 307 HA VAL 34 HA VAL 34 -7.606 1.866 6.810 308 HB VAL 34 HB VAL 34 -6.839 -0.374 4.935 309 HG11 VAL 34 1HG1 VAL 34 -6.871 2.583 4.388 310 HG12 VAL 34 2HG1 VAL 34 -6.714 1.260 3.232 311 HG13 VAL 34 3HG1 VAL 34 -8.249 1.535 4.056 312 HG21 VAL 34 3HG2 VAL 34 -4.678 0.867 4.752 313 HG22 VAL 34 1HG2 VAL 34 -5.186 1.845 6.129 314 HG23 VAL 34 2HG2 VAL 34 -4.948 0.108 6.321 315 H ALA 35 HN ALA 35 -8.843 -1.371 6.884 316 HA ALA 35 HA ALA 35 -11.033 -0.984 5.111 317 HB1 ALA 35 1HB ALA 35 -11.915 -3.065 6.113 318 HB2 ALA 35 2HB ALA 35 -10.239 -3.211 5.584 319 HB3 ALA 35 3HB ALA 35 -10.610 -3.016 7.297 320 H THR 36 HN THR 36 -10.728 -0.901 8.650 321 HA THR 36 HA THR 36 -13.481 -0.068 8.966 322 HB THR 36 HB THR 36 -12.524 -1.542 10.651 323 HG1 THR 36 1HG THR 36 -12.882 0.008 12.516 324 HG21 THR 36 3HG2 THR 36 -10.335 -1.256 11.072 325 HG22 THR 36 1HG2 THR 36 -10.869 -0.039 12.229 326 HG23 THR 36 2HG2 THR 36 -10.372 0.445 10.607 327 H LEU 37 HN LEU 37 -10.436 1.423 8.530 328 HA LEU 37 HA LEU 37 -10.852 3.842 9.921 329 HB2 LEU 37 2HB LEU 37 -9.096 3.012 7.645 330 HB3 LEU 37 3HB LEU 37 -9.182 4.704 8.131 331 HG LEU 37 HG LEU 37 -8.329 2.420 9.910 332 HD11 LEU 37 1HD1 LEU 37 -6.227 2.716 9.241 333 HD12 LEU 37 2HD1 LEU 37 -6.370 4.472 9.293 334 HD13 LEU 37 3HD1 LEU 37 -6.898 3.586 7.862 335 HD21 LEU 37 3HD2 LEU 37 -7.462 4.891 10.899 336 HD22 LEU 37 1HD2 LEU 37 -8.699 3.835 11.580 337 HD23 LEU 37 2HD2 LEU 37 -9.155 5.118 10.459 338 H GLU 38 HN GLU 38 -12.641 5.013 9.584 339 HA GLU 38 HA GLU 38 -14.320 5.157 7.478 340 HB2 GLU 38 2HB GLU 38 -13.410 7.378 9.303 341 HB3 GLU 38 3HB GLU 38 -14.704 7.592 8.133 342 HG2 GLU 38 2HG GLU 38 -15.763 7.110 10.165 343 HG3 GLU 38 3HG GLU 38 -15.843 5.620 9.227 344 H ASP 39 HN ASP 39 -11.175 6.686 7.707 345 HA ASP 39 HA ASP 39 -11.376 7.385 4.860 346 HB2 ASP 39 2HB ASP 39 -9.822 9.388 5.584 347 HB3 ASP 39 3HB ASP 39 -11.574 9.524 5.699 348 HA PRO 40 HA PRO 40 -7.586 5.147 4.595 349 HB2 PRO 40 2HB PRO 40 -6.779 6.037 2.160 350 HB3 PRO 40 3HB PRO 40 -8.090 4.870 2.371 351 HG2 PRO 40 2HG PRO 40 -8.239 7.823 1.902 352 HG3 PRO 40 3HG PRO 40 -9.207 6.526 1.179 353 HD2 PRO 40 2HD PRO 40 -10.117 8.061 3.216 354 HD3 PRO 40 3HD PRO 40 -10.588 6.360 3.017 355 H ARG 41 HN ARG 41 -7.734 8.624 4.261 356 HA ARG 41 HA ARG 41 -4.867 8.962 4.418 357 HB2 ARG 41 2HB ARG 41 -7.139 10.954 4.497 358 HB3 ARG 41 3HB ARG 41 -5.436 11.394 4.521 359 HG2 ARG 41 2HG ARG 41 -5.201 10.184 2.330 360 HG3 ARG 41 3HG ARG 41 -6.962 10.062 2.302 361 HD2 ARG 41 2HD ARG 41 -5.510 12.679 2.610 362 HD3 ARG 41 3HD ARG 41 -5.944 12.008 1.038 363 HE ARG 41 HE ARG 41 -8.197 12.120 2.763 364 HH11 ARG 41 2HH1 ARG 41 -6.143 14.090 0.757 365 HH12 ARG 41 1HH1 ARG 41 -7.366 15.278 0.447 366 HH21 ARG 41 2HH2 ARG 41 -9.815 13.677 2.361 367 HH22 ARG 41 1HH2 ARG 41 -9.454 15.042 1.361 368 H SER 42 HN SER 42 -5.973 7.505 6.584 369 HA SER 42 HA SER 42 -5.847 9.385 8.831 370 HB2 SER 42 2HB SER 42 -7.710 7.601 8.548 371 HB3 SER 42 3HB SER 42 -6.482 6.455 9.086 372 HG SER 42 HG SER 42 -7.958 7.644 10.685 373 H LEU 43 HN LEU 43 -4.489 6.260 7.803 374 HA LEU 43 HA LEU 43 -2.343 6.546 9.761 375 HB2 LEU 43 2HB LEU 43 -3.328 4.308 8.036 376 HB3 LEU 43 3HB LEU 43 -1.717 4.241 8.747 377 HG LEU 43 HG LEU 43 -4.173 4.648 10.430 378 HD11 LEU 43 1HD1 LEU 43 -3.934 2.461 8.876 379 HD12 LEU 43 2HD1 LEU 43 -4.678 2.454 10.475 380 HD13 LEU 43 3HD1 LEU 43 -2.999 1.952 10.282 381 HD21 LEU 43 3HD2 LEU 43 -1.970 5.160 11.406 382 HD22 LEU 43 1HD2 LEU 43 -1.446 3.515 11.045 383 HD23 LEU 43 2HD2 LEU 43 -2.755 3.791 12.195 384 H GLY 44 HN GLY 44 -2.640 5.822 6.276 385 HA2 GLY 44 1HA GLY 44 0.064 6.082 5.635 386 HA3 GLY 44 2HA GLY 44 -1.264 6.324 4.510 387 H GLU 45 HN GLU 45 0.764 7.835 3.944 388 HA GLU 45 HA GLU 45 -0.061 10.503 4.826 389 HB2 GLU 45 2HB GLU 45 2.215 11.241 5.147 390 HB3 GLU 45 3HB GLU 45 1.920 9.838 6.165 391 HG2 GLU 45 2HG GLU 45 2.956 8.480 4.255 392 HG3 GLU 45 3HG GLU 45 3.550 10.030 3.662 393 HA PRO 46 HA PRO 46 0.166 11.528 0.564 394 HB2 PRO 46 2HB PRO 46 0.752 14.175 0.708 395 HB3 PRO 46 3HB PRO 46 -0.837 13.519 1.120 396 HG2 PRO 46 2HG PRO 46 1.417 14.300 2.929 397 HG3 PRO 46 3HG PRO 46 -0.321 14.608 3.108 398 HD2 PRO 46 2HD PRO 46 0.951 12.620 4.435 399 HD3 PRO 46 3HD PRO 46 -0.741 12.490 3.914 400 H LEU 47 HN LEU 47 1.596 12.125 -1.138 401 HA LEU 47 HA LEU 47 4.432 12.270 -0.356 402 HB2 LEU 47 2HB LEU 47 3.421 10.084 -1.430 403 HB3 LEU 47 3HB LEU 47 3.622 10.998 -2.924 404 HG LEU 47 HG LEU 47 5.904 10.569 -1.017 405 HD11 LEU 47 1HD1 LEU 47 6.487 8.561 -2.005 406 HD12 LEU 47 2HD1 LEU 47 5.448 8.828 -3.404 407 HD13 LEU 47 3HD1 LEU 47 4.737 8.413 -1.845 408 HD21 LEU 47 3HD2 LEU 47 6.161 12.306 -2.712 409 HD22 LEU 47 1HD2 LEU 47 5.759 11.143 -3.975 410 HD23 LEU 47 2HD2 LEU 47 7.236 10.944 -3.032 411 H ARG 48 HN ARG 48 4.261 14.571 -0.556 412 HA ARG 48 HA ARG 48 3.630 15.693 -3.150 413 HB2 ARG 48 2HB ARG 48 3.086 16.782 -0.914 414 HB3 ARG 48 3HB ARG 48 4.802 17.146 -0.782 415 HG2 ARG 48 2HG ARG 48 4.743 18.709 -2.454 416 HG3 ARG 48 3HG ARG 48 3.348 17.971 -3.243 417 HD2 ARG 48 2HD ARG 48 1.848 18.876 -1.684 418 HD3 ARG 48 3HD ARG 48 3.133 19.247 -0.536 419 HE ARG 48 HE ARG 48 3.607 20.707 -2.868 420 HH11 ARG 48 2HH1 ARG 48 1.273 20.536 -0.290 421 HH12 ARG 48 1HH1 ARG 48 0.852 22.214 -0.384 422 HH21 ARG 48 2HH2 ARG 48 3.061 22.918 -3.001 423 HH22 ARG 48 1HH2 ARG 48 1.870 23.568 -1.927 424 H GLY 49 HN GLY 49 5.084 16.824 -4.481 425 HA2 GLY 49 1HA GLY 49 7.748 17.353 -4.074 426 HA3 GLY 49 2HA GLY 49 7.703 15.676 -4.597 427 HA PRO 50 HA PRO 50 7.607 18.742 -8.225 428 HB2 PRO 50 2HB PRO 50 10.141 18.349 -9.115 429 HB3 PRO 50 3HB PRO 50 9.720 19.599 -7.939 430 HG2 PRO 50 2HG PRO 50 10.900 16.886 -7.480 431 HG3 PRO 50 3HG PRO 50 11.333 18.436 -6.734 432 HD2 PRO 50 2HD PRO 50 9.779 16.602 -5.487 433 HD3 PRO 50 3HD PRO 50 9.581 18.349 -5.238 434 H GLU 51 HN GLU 51 9.389 15.662 -7.998 435 HA GLU 51 HA GLU 51 8.817 14.909 -10.691 436 HB2 GLU 51 2HB GLU 51 9.825 13.312 -8.332 437 HB3 GLU 51 3HB GLU 51 9.688 12.673 -9.964 438 HG2 GLU 51 2HG GLU 51 11.447 13.902 -10.748 439 HG3 GLU 51 3HG GLU 51 11.235 15.175 -9.547 440 H LEU 52 HN LEU 52 7.627 13.731 -7.544 441 HA LEU 52 HA LEU 52 5.521 12.222 -8.844 442 HB2 LEU 52 2HB LEU 52 6.303 12.608 -5.964 443 HB3 LEU 52 3HB LEU 52 4.888 11.681 -6.459 444 HG LEU 52 HG LEU 52 6.683 10.370 -7.889 445 HD11 LEU 52 1HD1 LEU 52 8.349 12.139 -6.633 446 HD12 LEU 52 2HD1 LEU 52 8.834 10.595 -7.332 447 HD13 LEU 52 3HD1 LEU 52 8.472 10.708 -5.609 448 HD21 LEU 52 3HD2 LEU 52 6.268 8.701 -6.453 449 HD22 LEU 52 1HD2 LEU 52 5.245 9.875 -5.626 450 HD23 LEU 52 2HD2 LEU 52 6.897 9.601 -5.072 451 H GLY 53 HN GLY 53 3.269 12.509 -8.368 452 HA2 GLY 53 1HA GLY 53 2.608 15.338 -7.873 453 HA3 GLY 53 2HA GLY 53 1.634 14.223 -8.820 454 H ARG 54 HN ARG 54 0.458 12.555 -7.702 455 HA ARG 54 HA ARG 54 0.028 13.120 -4.846 456 HB2 ARG 54 2HB ARG 54 -1.784 14.111 -6.216 457 HB3 ARG 54 3HB ARG 54 -2.134 12.517 -6.871 458 HG2 ARG 54 2HG ARG 54 -2.958 11.730 -4.832 459 HG3 ARG 54 3HG ARG 54 -2.218 13.050 -3.924 460 HD2 ARG 54 2HD ARG 54 -4.425 13.403 -5.948 461 HD3 ARG 54 3HD ARG 54 -4.686 13.258 -4.210 462 HE ARG 54 HE ARG 54 -2.919 15.299 -4.409 463 HH11 ARG 54 2HH1 ARG 54 -5.995 14.633 -5.896 464 HH12 ARG 54 1HH1 ARG 54 -6.428 16.303 -6.054 465 HH21 ARG 54 2HH2 ARG 54 -3.477 17.502 -4.611 466 HH22 ARG 54 1HH2 ARG 54 -4.994 17.934 -5.324 467 H PHE 55 HN PHE 55 0.698 11.377 -3.784 468 HA PHE 55 HA PHE 55 -0.401 8.782 -4.477 469 HB2 PHE 55 2HB PHE 55 2.586 9.238 -4.313 470 HB3 PHE 55 3HB PHE 55 1.802 7.667 -4.442 471 HD1 PHE 55 1HD PHE 55 0.183 7.412 -6.500 472 HD2 PHE 55 2HD PHE 55 3.338 10.256 -6.229 473 HE1 PHE 55 1HE PHE 55 0.229 7.589 -8.954 474 HE2 PHE 55 2HE PHE 55 3.389 10.438 -8.682 475 HZ PHE 55 HZ PHE 55 1.833 9.104 -10.048 476 H TRP 56 HN TRP 56 -0.970 7.725 -2.691 477 HA TRP 56 HA TRP 56 -0.086 8.775 -0.115 478 HB2 TRP 56 2HB TRP 56 -2.556 8.195 -0.882 479 HB3 TRP 56 3HB TRP 56 -2.100 6.581 -0.341 480 HD1 TRP 56 1HD TRP 56 -2.175 6.123 2.208 481 HE1 TRP 56 1HE TRP 56 -2.704 7.547 4.286 482 HE3 TRP 56 3HE TRP 56 -2.274 10.742 0.021 483 HZ2 TRP 56 2HZ TRP 56 -3.110 10.269 4.914 484 HZ3 TRP 56 3HZ TRP 56 -2.740 12.705 1.431 485 HH2 TRP 56 2HH TRP 56 -3.150 12.471 3.826 486 H LYS 57 HN LYS 57 0.954 7.573 1.436 487 HA LYS 57 HA LYS 57 1.776 4.849 0.690 488 HB2 LYS 57 2HB LYS 57 3.774 5.891 0.260 489 HB3 LYS 57 3HB LYS 57 3.465 7.193 1.402 490 HG2 LYS 57 2HG LYS 57 4.134 5.895 3.235 491 HG3 LYS 57 3HG LYS 57 4.039 4.393 2.312 492 HD2 LYS 57 2HD LYS 57 6.363 5.401 2.783 493 HD3 LYS 57 3HD LYS 57 6.007 4.839 1.148 494 HE2 LYS 57 2HE LYS 57 7.122 6.996 1.082 495 HE3 LYS 57 3HE LYS 57 5.469 7.139 0.487 496 HZ1 LYS 57 3HZ LYS 57 6.435 8.840 2.200 497 HZ2 LYS 57 1HZ LYS 57 5.980 7.660 3.325 498 HZ3 LYS 57 2HZ LYS 57 4.822 8.340 2.296 499 H TYR 58 HN TYR 58 1.809 3.368 2.315 500 HA TYR 58 HA TYR 58 0.868 4.303 4.939 501 HB2 TYR 58 2HB TYR 58 0.584 1.645 3.537 502 HB3 TYR 58 3HB TYR 58 0.179 1.879 5.234 503 HD1 TYR 58 1HD TYR 58 -1.711 3.341 5.866 504 HD2 TYR 58 2HD TYR 58 -0.855 2.437 1.797 505 HE1 TYR 58 1HE TYR 58 -3.959 4.109 5.228 506 HE2 TYR 58 2HE TYR 58 -3.101 3.203 1.148 507 HH TYR 58 HH TYR 58 -5.053 5.032 3.095 508 H ARG 59 HN ARG 59 1.831 3.574 6.833 509 HA ARG 59 HA ARG 59 4.503 2.385 6.480 510 HB2 ARG 59 2HB ARG 59 5.197 3.563 8.478 511 HB3 ARG 59 3HB ARG 59 4.497 4.706 7.339 512 HG2 ARG 59 2HG ARG 59 2.311 4.282 8.701 513 HG3 ARG 59 3HG ARG 59 3.435 3.739 9.948 514 HD2 ARG 59 2HD ARG 59 4.660 5.979 9.424 515 HD3 ARG 59 3HD ARG 59 3.105 6.452 8.739 516 HE ARG 59 HE ARG 59 2.246 6.594 10.862 517 HH11 ARG 59 2HH1 ARG 59 5.298 4.922 10.957 518 HH12 ARG 59 1HH1 ARG 59 5.395 4.927 12.687 519 HH21 ARG 59 2HH2 ARG 59 2.362 6.606 13.140 520 HH22 ARG 59 1HH2 ARG 59 3.724 5.884 13.927 521 H VAL 60 HN VAL 60 4.652 0.354 7.138 522 HA VAL 60 HA VAL 60 2.996 -0.516 9.418 523 HB VAL 60 HB VAL 60 3.700 -1.981 6.889 524 HG11 VAL 60 1HG1 VAL 60 2.415 -3.879 8.272 525 HG12 VAL 60 2HG1 VAL 60 4.173 -3.737 8.239 526 HG13 VAL 60 3HG1 VAL 60 3.260 -3.080 9.598 527 HG21 VAL 60 3HG2 VAL 60 1.344 -2.326 6.707 528 HG22 VAL 60 1HG2 VAL 60 1.072 -1.717 8.339 529 HG23 VAL 60 2HG2 VAL 60 1.604 -0.619 7.065 530 H GLY 61 HN GLY 61 4.712 0.001 10.862 531 HA2 GLY 61 1HA GLY 61 6.418 -0.702 12.245 532 HA3 GLY 61 2HA GLY 61 6.511 -2.178 11.297 533 H ASP 62 HN ASP 62 8.045 -2.382 9.724 534 HA ASP 62 HA ASP 62 9.844 -0.079 9.342 535 HB2 ASP 62 2HB ASP 62 10.695 -2.979 9.411 536 HB3 ASP 62 3HB ASP 62 11.742 -1.565 9.318 537 H TYR 63 HN TYR 63 7.539 -1.267 7.769 538 HA TYR 63 HA TYR 63 9.002 -1.601 5.234 539 HB2 TYR 63 2HB TYR 63 6.496 -2.996 6.175 540 HB3 TYR 63 3HB TYR 63 7.006 -2.979 4.491 541 HD1 TYR 63 1HD TYR 63 8.335 -3.815 7.881 542 HD2 TYR 63 2HD TYR 63 8.334 -4.709 3.722 543 HE1 TYR 63 1HE TYR 63 9.775 -5.763 8.306 544 HE2 TYR 63 2HE TYR 63 9.774 -6.660 4.135 545 HH TYR 63 HH TYR 63 11.360 -7.454 5.815 546 H ARG 64 HN ARG 64 8.352 -0.387 3.531 547 HA ARG 64 HA ARG 64 6.196 1.542 4.046 548 HB2 ARG 64 2HB ARG 64 8.337 1.756 1.931 549 HB3 ARG 64 3HB ARG 64 7.273 3.027 2.520 550 HG2 ARG 64 2HG ARG 64 9.229 1.668 4.337 551 HG3 ARG 64 3HG ARG 64 9.706 3.020 3.308 552 HD2 ARG 64 2HD ARG 64 7.265 3.320 4.977 553 HD3 ARG 64 3HD ARG 64 8.833 3.381 5.782 554 HE ARG 64 HE ARG 64 7.670 5.416 4.192 555 HH11 ARG 64 2HH1 ARG 64 10.721 3.918 4.944 556 HH12 ARG 64 1HH1 ARG 64 11.653 5.335 4.587 557 HH21 ARG 64 2HH2 ARG 64 8.886 7.287 3.718 558 HH22 ARG 64 1HH2 ARG 64 10.608 7.250 3.890 559 H LEU 65 HN LEU 65 4.488 1.745 2.681 560 HA LEU 65 HA LEU 65 4.436 0.006 0.306 561 HB2 LEU 65 2HB LEU 65 1.993 0.546 1.952 562 HB3 LEU 65 3HB LEU 65 2.269 -0.728 0.767 563 HG LEU 65 HG LEU 65 3.588 -0.591 3.477 564 HD11 LEU 65 1HD1 LEU 65 2.048 -2.210 4.234 565 HD12 LEU 65 2HD1 LEU 65 1.386 -2.448 2.617 566 HD13 LEU 65 3HD1 LEU 65 1.086 -0.939 3.478 567 HD21 LEU 65 3HD2 LEU 65 3.409 -2.955 1.636 568 HD22 LEU 65 1HD2 LEU 65 4.471 -2.710 3.023 569 HD23 LEU 65 2HD2 LEU 65 4.737 -1.798 1.537 570 H ILE 66 HN ILE 66 4.167 1.147 -1.484 571 HA ILE 66 HA ILE 66 3.102 3.852 -1.336 572 HB ILE 66 HB ILE 66 4.184 2.412 -3.758 573 HG12 ILE 66 2HG1 ILE 66 5.975 2.443 -2.200 574 HG13 ILE 66 3HG1 ILE 66 6.252 3.814 -3.268 575 HG21 ILE 66 1HG2 ILE 66 4.594 4.792 -4.503 576 HG22 ILE 66 2HG2 ILE 66 2.908 4.280 -4.438 577 HG23 ILE 66 3HG2 ILE 66 3.571 5.294 -3.157 578 HD11 ILE 66 3HD1 ILE 66 5.395 5.330 -1.604 579 HD12 ILE 66 1HD1 ILE 66 4.983 3.980 -0.546 580 HD13 ILE 66 2HD1 ILE 66 6.673 4.334 -0.908 581 H CYS 67 HN CYS 67 0.918 3.804 -1.200 582 HA CYS 67 HA CYS 67 -0.558 2.171 -3.145 583 HB2 CYS 67 2HB CYS 67 -1.470 3.494 -0.582 584 HB3 CYS 67 3HB CYS 67 -2.530 2.618 -1.680 585 HG CYS 67 HG CYS 67 0.185 1.042 -0.376 586 H HIS 68 HN HIS 68 -2.675 3.217 -3.876 587 HA HIS 68 HA HIS 68 -2.306 6.091 -4.377 588 HB2 HIS 68 2HB HIS 68 -1.620 4.548 -6.326 589 HB3 HIS 68 3HB HIS 68 -3.343 4.235 -6.508 590 HD2 HIS 68 2HD HIS 68 -2.361 7.882 -5.666 591 HE1 HIS 68 1HE HIS 68 -3.342 7.710 -9.790 592 HE2 HIS 68 2HE HIS 68 -2.730 9.205 -7.858 593 H ILE 69 HN ILE 69 -3.928 6.881 -3.155 594 HA ILE 69 HA ILE 69 -6.473 5.592 -2.922 595 HB ILE 69 HB ILE 69 -5.597 8.359 -2.090 596 HG12 ILE 69 2HG1 ILE 69 -6.018 5.858 -0.441 597 HG13 ILE 69 3HG1 ILE 69 -4.448 6.451 -0.969 598 HG21 ILE 69 1HG2 ILE 69 -8.189 7.446 -2.406 599 HG22 ILE 69 2HG2 ILE 69 -7.870 7.236 -0.685 600 HG23 ILE 69 3HG2 ILE 69 -7.675 8.822 -1.431 601 HD11 ILE 69 3HD1 ILE 69 -6.342 8.024 0.754 602 HD12 ILE 69 1HD1 ILE 69 -5.035 7.016 1.376 603 HD13 ILE 69 2HD1 ILE 69 -4.666 8.413 0.365 604 H GLN 70 HN GLN 70 -7.931 5.581 -4.494 605 HA GLN 70 HA GLN 70 -8.023 7.806 -6.393 606 HB2 GLN 70 2HB GLN 70 -9.295 5.067 -6.473 607 HB3 GLN 70 3HB GLN 70 -9.494 6.292 -7.718 608 HG2 GLN 70 2HG GLN 70 -7.091 6.247 -8.149 609 HG3 GLN 70 3HG GLN 70 -6.893 5.017 -6.902 610 HE21 GLN 70 1HE2 GLN 70 -6.183 4.808 -9.663 611 HE22 GLN 70 2HE2 GLN 70 -7.111 3.513 -10.332 612 H ASP 71 HN ASP 71 -9.227 9.423 -5.578 613 HA ASP 71 HA ASP 71 -11.412 9.146 -3.844 614 HB2 ASP 71 2HB ASP 71 -10.067 11.246 -4.286 615 HB3 ASP 71 3HB ASP 71 -10.994 11.433 -5.772 616 H ARG 72 HN ARG 72 -11.227 9.296 -7.360 617 HA ARG 72 HA ARG 72 -13.753 9.727 -8.181 618 HB2 ARG 72 2HB ARG 72 -11.805 9.076 -9.625 619 HB3 ARG 72 3HB ARG 72 -12.112 7.400 -9.190 620 HG2 ARG 72 2HG ARG 72 -14.382 7.613 -10.159 621 HG3 ARG 72 3HG ARG 72 -13.958 9.241 -10.692 622 HD2 ARG 72 2HD ARG 72 -12.423 6.765 -11.461 623 HD3 ARG 72 3HD ARG 72 -13.714 7.463 -12.438 624 HE ARG 72 HE ARG 72 -11.914 9.503 -11.946 625 HH11 ARG 72 2HH1 ARG 72 -11.900 6.397 -13.520 626 HH12 ARG 72 1HH1 ARG 72 -10.675 6.837 -14.664 627 HH21 ARG 72 2HH2 ARG 72 -10.302 10.094 -13.447 628 HH22 ARG 72 1HH2 ARG 72 -9.767 8.940 -14.621 629 H GLU 73 HN GLU 73 -12.607 6.449 -7.344 630 HA GLU 73 HA GLU 73 -15.385 5.778 -6.625 631 HB2 GLU 73 2HB GLU 73 -13.273 4.229 -8.060 632 HB3 GLU 73 3HB GLU 73 -14.425 3.353 -7.060 633 HG2 GLU 73 2HG GLU 73 -15.255 5.274 -9.214 634 HG3 GLU 73 3HG GLU 73 -15.002 3.553 -9.497 635 H ALA 74 HN ALA 74 -13.025 6.843 -5.035 636 HA ALA 74 HA ALA 74 -11.937 6.460 -3.054 637 HB1 ALA 74 1HB ALA 74 -14.045 4.894 -1.838 638 HB2 ALA 74 2HB ALA 74 -13.491 6.526 -1.462 639 HB3 ALA 74 3HB ALA 74 -14.685 6.271 -2.734 640 H THR 75 HN THR 75 -11.067 4.633 -4.887 641 HA THR 75 HA THR 75 -10.955 2.107 -3.372 642 HB THR 75 HB THR 75 -10.624 2.601 -6.333 643 HG1 THR 75 1HG THR 75 -12.360 0.890 -6.221 644 HG21 THR 75 3HG2 THR 75 -10.278 -0.002 -4.841 645 HG22 THR 75 1HG2 THR 75 -8.956 0.965 -5.496 646 HG23 THR 75 2HG2 THR 75 -10.143 0.242 -6.583 647 H VAL 76 HN VAL 76 -9.080 1.612 -2.453 648 HA VAL 76 HA VAL 76 -6.707 3.169 -3.130 649 HB VAL 76 HB VAL 76 -7.007 1.146 -0.911 650 HG11 VAL 76 1HG1 VAL 76 -5.068 2.115 0.028 651 HG12 VAL 76 2HG1 VAL 76 -4.706 1.867 -1.681 652 HG13 VAL 76 3HG1 VAL 76 -5.116 3.478 -1.090 653 HG21 VAL 76 3HG2 VAL 76 -7.104 4.013 -0.258 654 HG22 VAL 76 1HG2 VAL 76 -8.523 3.377 -1.088 655 HG23 VAL 76 2HG2 VAL 76 -7.997 2.660 0.435 656 H LEU 77 HN LEU 77 -5.434 2.400 -4.679 657 HA LEU 77 HA LEU 77 -5.103 -0.516 -4.917 658 HB2 LEU 77 2HB LEU 77 -6.039 0.398 -6.911 659 HB3 LEU 77 3HB LEU 77 -4.835 1.685 -6.952 660 HG LEU 77 HG LEU 77 -3.882 -1.126 -7.142 661 HD11 LEU 77 1HD1 LEU 77 -5.617 -1.318 -8.704 662 HD12 LEU 77 2HD1 LEU 77 -4.196 -0.901 -9.661 663 HD13 LEU 77 3HD1 LEU 77 -5.398 0.333 -9.283 664 HD21 LEU 77 3HD2 LEU 77 -2.134 -0.167 -8.396 665 HD22 LEU 77 1HD2 LEU 77 -2.428 0.952 -7.065 666 HD23 LEU 77 2HD2 LEU 77 -3.043 1.319 -8.677 667 H VAL 78 HN VAL 78 -3.161 -1.383 -4.555 668 HA VAL 78 HA VAL 78 -0.998 0.293 -3.675 669 HB VAL 78 HB VAL 78 -1.054 -2.699 -4.090 670 HG11 VAL 78 1HG1 VAL 78 1.188 -1.384 -3.964 671 HG12 VAL 78 2HG1 VAL 78 0.805 -1.260 -2.245 672 HG13 VAL 78 3HG1 VAL 78 0.976 -2.845 -2.999 673 HG21 VAL 78 3HG2 VAL 78 -1.614 -2.931 -1.811 674 HG22 VAL 78 1HG2 VAL 78 -1.317 -1.224 -1.484 675 HG23 VAL 78 2HG2 VAL 78 -2.715 -1.708 -2.444 676 H LEU 79 HN LEU 79 0.955 0.658 -4.656 677 HA LEU 79 HA LEU 79 1.097 -0.047 -7.507 678 HB2 LEU 79 2HB LEU 79 2.287 2.219 -5.928 679 HB3 LEU 79 3HB LEU 79 2.792 1.837 -7.573 680 HG LEU 79 HG LEU 79 0.046 2.726 -6.694 681 HD11 LEU 79 1HD1 LEU 79 0.503 4.760 -7.795 682 HD12 LEU 79 2HD1 LEU 79 1.974 4.122 -8.529 683 HD13 LEU 79 3HD1 LEU 79 1.916 4.426 -6.793 684 HD21 LEU 79 3HD2 LEU 79 -0.416 1.312 -8.469 685 HD22 LEU 79 1HD2 LEU 79 1.096 1.688 -9.296 686 HD23 LEU 79 2HD2 LEU 79 -0.212 2.871 -9.269 687 H ARG 80 HN ARG 80 3.222 0.418 -4.681 688 HA ARG 80 HA ARG 80 4.762 -1.919 -5.497 689 HB2 ARG 80 2HB ARG 80 5.755 0.278 -6.451 690 HB3 ARG 80 3HB ARG 80 6.241 0.597 -4.791 691 HG2 ARG 80 2HG ARG 80 8.117 -0.395 -5.713 692 HG3 ARG 80 3HG ARG 80 7.322 -1.737 -4.887 693 HD2 ARG 80 2HD ARG 80 8.020 -2.490 -7.050 694 HD3 ARG 80 3HD ARG 80 6.262 -2.357 -7.050 695 HE ARG 80 HE ARG 80 7.316 0.047 -8.004 696 HH11 ARG 80 2HH1 ARG 80 7.107 -3.301 -8.937 697 HH12 ARG 80 1HH1 ARG 80 7.143 -2.964 -10.636 698 HH21 ARG 80 2HH2 ARG 80 7.365 0.502 -10.238 699 HH22 ARG 80 1HH2 ARG 80 7.290 -0.801 -11.375 700 H VAL 81 HN VAL 81 6.023 -2.833 -3.810 701 HA VAL 81 HA VAL 81 5.617 -1.710 -1.132 702 HB VAL 81 HB VAL 81 4.915 -4.520 -1.970 703 HG11 VAL 81 1HG1 VAL 81 5.820 -5.135 -0.005 704 HG12 VAL 81 2HG1 VAL 81 5.832 -3.485 0.622 705 HG13 VAL 81 3HG1 VAL 81 4.350 -4.441 0.680 706 HG21 VAL 81 3HG2 VAL 81 3.231 -2.636 -2.167 707 HG22 VAL 81 1HG2 VAL 81 2.737 -4.027 -1.202 708 HG23 VAL 81 2HG2 VAL 81 3.269 -2.546 -0.406 709 H GLY 82 HN GLY 82 7.451 -1.676 -0.008 710 HA2 GLY 82 1HA GLY 82 9.377 -3.821 -0.201 711 HA3 GLY 82 2HA GLY 82 9.932 -2.303 -0.888 712 H HIS 83 HN HIS 83 11.133 -3.629 1.310 713 HA HIS 83 HA HIS 83 10.322 -2.507 3.785 714 HB2 HIS 83 2HB HIS 83 11.686 -4.530 3.690 715 HB3 HIS 83 3HB HIS 83 13.000 -3.632 2.936 716 HD2 HIS 83 2HD HIS 83 11.144 -3.595 6.433 717 HE1 HIS 83 1HE HIS 83 15.148 -2.280 6.922 718 HE2 HIS 83 2HE HIS 83 13.011 -2.921 8.091 719 H ALA 84 HN ALA 84 10.773 -0.603 4.715 720 HA ALA 84 HA ALA 84 11.407 1.677 3.488 721 HB1 ALA 84 1HB ALA 84 12.400 0.959 6.244 722 HB2 ALA 84 2HB ALA 84 12.190 2.591 5.608 723 HB3 ALA 84 3HB ALA 84 10.786 1.551 5.849 724 H ARG 85 HN ARG 85 13.731 -0.761 4.461 725 HA ARG 85 HA ARG 85 16.098 0.680 4.179 726 HB2 ARG 85 2HB ARG 85 16.026 -1.561 5.147 727 HB3 ARG 85 3HB ARG 85 15.575 -2.238 3.588 728 HG2 ARG 85 2HG ARG 85 17.684 -2.077 2.748 729 HG3 ARG 85 3HG ARG 85 18.091 -0.675 3.740 730 HD2 ARG 85 2HD ARG 85 17.968 -2.299 5.725 731 HD3 ARG 85 3HD ARG 85 18.036 -3.575 4.510 732 HE ARG 85 HE ARG 85 20.272 -3.194 4.368 733 HH11 ARG 85 2HH1 ARG 85 18.738 -0.274 5.482 734 HH12 ARG 85 1HH1 ARG 85 20.227 0.591 5.672 735 HH21 ARG 85 2HH2 ARG 85 22.239 -2.066 4.614 736 HH22 ARG 85 1HH2 ARG 85 22.218 -0.429 5.177 737 H ASP 86 HN ASP 86 14.696 -1.542 1.762 738 HA ASP 86 HA ASP 86 16.369 -0.663 -0.338 739 HB2 ASP 86 2HB ASP 86 15.048 -2.855 -0.166 740 HB3 ASP 86 3HB ASP 86 13.661 -1.927 -0.729 741 H VAL 87 HN VAL 87 12.831 -0.263 -0.129 742 HA VAL 87 HA VAL 87 12.347 1.515 -2.075 743 HB VAL 87 HB VAL 87 10.673 0.658 -0.404 744 HG11 VAL 87 1HG1 VAL 87 10.315 1.722 1.646 745 HG12 VAL 87 2HG1 VAL 87 12.069 1.545 1.556 746 HG13 VAL 87 3HG1 VAL 87 11.319 3.104 1.209 747 HG21 VAL 87 3HG2 VAL 87 10.048 3.511 -0.504 748 HG22 VAL 87 1HG2 VAL 87 10.588 2.846 -2.046 749 HG23 VAL 87 2HG2 VAL 87 9.201 2.139 -1.218 750 H TYR 88 HN TYR 88 13.058 3.449 -2.673 751 HA TYR 88 HA TYR 88 15.052 4.865 -1.375 752 HB2 TYR 88 2HB TYR 88 13.952 6.833 -2.838 753 HB3 TYR 88 3HB TYR 88 14.933 5.553 -3.542 754 HD1 TYR 88 1HD TYR 88 13.860 3.689 -4.749 755 HD2 TYR 88 2HD TYR 88 11.598 6.976 -3.272 756 HE1 TYR 88 1HE TYR 88 11.985 3.045 -6.204 757 HE2 TYR 88 2HE TYR 88 9.716 6.340 -4.723 758 HH TYR 88 HH TYR 88 8.934 4.866 -6.184 759 H ARG 89 HN ARG 89 15.011 6.988 -0.385 760 HA ARG 89 HA ARG 89 13.532 7.214 1.879 761 HB2 ARG 89 2HB ARG 89 15.496 8.667 0.991 762 HB3 ARG 89 3HB ARG 89 14.227 9.699 0.346 763 HG2 ARG 89 2HG ARG 89 13.288 9.816 2.677 764 HG3 ARG 89 3HG ARG 89 14.768 9.023 3.222 765 HD2 ARG 89 2HD ARG 89 14.730 11.576 1.624 766 HD3 ARG 89 3HD ARG 89 14.770 11.529 3.386 767 HE ARG 89 HE ARG 89 16.864 9.949 2.494 768 HH11 ARG 89 2HH1 ARG 89 15.888 13.285 2.306 769 HH12 ARG 89 1HH1 ARG 89 17.509 13.889 2.213 770 HH21 ARG 89 2HH2 ARG 89 19.002 10.732 2.372 771 HH22 ARG 89 1HH2 ARG 89 19.280 12.436 2.250 Start of MODEL 14 1 H1 MET 1 HN MET 1 -18.365 -1.590 6.490 2 HA MET 1 HA MET 1 -16.683 -1.892 4.221 3 HB2 MET 1 2HB MET 1 -19.553 -1.017 4.532 4 HB3 MET 1 3HB MET 1 -18.769 -1.165 2.965 5 HG2 MET 1 2HG MET 1 -19.838 -3.188 3.167 6 HG3 MET 1 3HG MET 1 -18.215 -3.568 3.739 7 HE1 MET 1 3HE MET 1 -19.061 -5.569 6.619 8 HE2 MET 1 1HE MET 1 -18.236 -5.335 5.078 9 HE3 MET 1 2HE MET 1 -17.774 -4.370 6.480 10 H GLY 2 HN GLY 2 -15.243 -0.403 3.630 11 HA2 GLY 2 1HA GLY 2 -16.130 2.412 3.563 12 HA3 GLY 2 2HA GLY 2 -14.539 1.974 4.167 13 H TYR 3 HN TYR 3 -12.893 1.621 2.752 14 HA TYR 3 HA TYR 3 -13.470 2.244 -0.051 15 HB2 TYR 3 2HB TYR 3 -10.983 2.398 1.634 16 HB3 TYR 3 3HB TYR 3 -10.896 2.451 -0.123 17 HD1 TYR 3 2HD TYR 3 -13.051 4.038 2.495 18 HD2 TYR 3 1HD TYR 3 -10.624 4.575 -0.957 19 HE1 TYR 3 2HE TYR 3 -13.517 6.453 2.550 20 HE2 TYR 3 1HE TYR 3 -11.082 6.991 -0.911 21 HH TYR 3 HH TYR 3 -12.041 8.635 1.524 22 H ARG 4 HN ARG 4 -12.070 1.117 -1.690 23 HA ARG 4 HA ARG 4 -12.194 -1.754 -1.184 24 HB2 ARG 4 2HB ARG 4 -13.245 -0.766 -3.224 25 HB3 ARG 4 3HB ARG 4 -11.641 -0.304 -3.777 26 HG2 ARG 4 2HG ARG 4 -11.010 -2.489 -4.192 27 HG3 ARG 4 3HG ARG 4 -12.234 -3.154 -3.108 28 HD2 ARG 4 2HD ARG 4 -13.042 -1.633 -5.554 29 HD3 ARG 4 3HD ARG 4 -12.566 -3.326 -5.677 30 HE ARG 4 HE ARG 4 -14.482 -3.025 -3.633 31 HH11 ARG 4 2HH1 ARG 4 -14.184 -2.952 -7.101 32 HH12 ARG 4 1HH1 ARG 4 -15.819 -3.453 -7.383 33 HH21 ARG 4 2HH2 ARG 4 -16.636 -3.685 -3.991 34 HH22 ARG 4 1HH2 ARG 4 -17.212 -3.869 -5.613 35 H ILE 5 HN ILE 5 -10.460 -3.128 -1.316 36 HA ILE 5 HA ILE 5 -7.819 -1.836 -1.297 37 HB ILE 5 HB ILE 5 -8.512 -4.591 -0.279 38 HG12 ILE 5 2HG1 ILE 5 -9.738 -2.996 1.051 39 HG13 ILE 5 3HG1 ILE 5 -8.350 -3.543 1.986 40 HG21 ILE 5 1HG2 ILE 5 -6.338 -4.856 0.102 41 HG22 ILE 5 2HG2 ILE 5 -6.062 -3.396 -0.845 42 HG23 ILE 5 3HG2 ILE 5 -6.228 -3.292 0.907 43 HD11 ILE 5 3HD1 ILE 5 -8.602 -1.188 2.277 44 HD12 ILE 5 1HD1 ILE 5 -7.157 -1.479 1.309 45 HD13 ILE 5 2HD1 ILE 5 -8.643 -0.927 0.534 46 H GLU 6 HN GLU 6 -6.833 -1.932 -3.205 47 HA GLU 6 HA GLU 6 -6.943 -4.469 -4.700 48 HB2 GLU 6 2HB GLU 6 -7.187 -1.644 -5.649 49 HB3 GLU 6 3HB GLU 6 -6.442 -2.835 -6.706 50 HG2 GLU 6 2HG GLU 6 -9.073 -3.455 -5.462 51 HG3 GLU 6 3HG GLU 6 -9.005 -2.344 -6.828 52 H PHE 7 HN PHE 7 -5.053 -5.023 -5.909 53 HA PHE 7 HA PHE 7 -2.613 -3.578 -5.147 54 HB2 PHE 7 2HB PHE 7 -3.217 -6.493 -4.764 55 HB3 PHE 7 3HB PHE 7 -1.559 -5.958 -5.014 56 HD1 PHE 7 1HD PHE 7 -4.526 -5.071 -2.932 57 HD2 PHE 7 2HD PHE 7 -0.299 -5.516 -3.152 58 HE1 PHE 7 1HE PHE 7 -4.347 -4.526 -0.539 59 HE2 PHE 7 2HE PHE 7 -0.113 -4.973 -0.760 60 HZ PHE 7 HZ PHE 7 -2.139 -4.478 0.550 61 H ASP 8 HN ASP 8 -1.391 -3.109 -6.845 62 HA ASP 8 HA ASP 8 -2.063 -3.752 -9.470 63 HB2 ASP 8 2HB ASP 8 0.299 -2.546 -8.131 64 HB3 ASP 8 3HB ASP 8 0.531 -3.138 -9.774 65 HA PRO 9 HA PRO 9 -0.369 -7.700 -10.350 66 HB2 PRO 9 2HB PRO 9 0.718 -7.355 -12.814 67 HB3 PRO 9 3HB PRO 9 -1.026 -7.400 -12.532 68 HG2 PRO 9 2HG PRO 9 0.775 -5.035 -12.887 69 HG3 PRO 9 3HG PRO 9 -0.836 -5.327 -13.567 70 HD2 PRO 9 2HD PRO 9 -0.431 -3.741 -11.410 71 HD3 PRO 9 3HD PRO 9 -1.908 -4.703 -11.624 72 H ARG 10 HN ARG 10 1.671 -5.005 -10.018 73 HA ARG 10 HA ARG 10 4.119 -6.578 -10.308 74 HB2 ARG 10 2HB ARG 10 3.615 -3.631 -9.904 75 HB3 ARG 10 3HB ARG 10 5.224 -4.339 -9.845 76 HG2 ARG 10 2HG ARG 10 4.727 -5.253 -12.170 77 HG3 ARG 10 3HG ARG 10 3.356 -4.142 -12.181 78 HD2 ARG 10 2HD ARG 10 5.146 -3.011 -13.241 79 HD3 ARG 10 3HD ARG 10 4.989 -2.304 -11.633 80 HE ARG 10 HE ARG 10 6.865 -4.361 -11.482 81 HH11 ARG 10 2HH1 ARG 10 6.493 -1.250 -13.000 82 HH12 ARG 10 1HH1 ARG 10 8.191 -0.908 -13.013 83 HH21 ARG 10 2HH2 ARG 10 9.103 -3.922 -11.493 84 HH22 ARG 10 1HH2 ARG 10 9.675 -2.429 -12.156 85 H ALA 11 HN ALA 11 2.470 -4.557 -7.890 86 HA ALA 11 HA ALA 11 4.265 -5.019 -5.782 87 HB1 ALA 11 1HB ALA 11 2.915 -3.660 -4.637 88 HB2 ALA 11 2HB ALA 11 2.003 -3.499 -6.139 89 HB3 ALA 11 3HB ALA 11 1.503 -4.678 -4.926 90 H GLU 12 HN GLU 12 1.184 -6.625 -6.567 91 HA GLU 12 HA GLU 12 0.869 -8.373 -4.541 92 HB2 GLU 12 2HB GLU 12 0.409 -8.607 -7.473 93 HB3 GLU 12 3HB GLU 12 0.273 -10.072 -6.510 94 HG2 GLU 12 2HG GLU 12 -1.252 -8.556 -5.005 95 HG3 GLU 12 3HG GLU 12 -1.416 -7.627 -6.494 96 H LYS 13 HN LYS 13 3.165 -8.750 -7.210 97 HA LYS 13 HA LYS 13 4.147 -11.278 -6.315 98 HB2 LYS 13 2HB LYS 13 5.073 -9.261 -8.340 99 HB3 LYS 13 3HB LYS 13 6.078 -10.643 -7.926 100 HG2 LYS 13 2HG LYS 13 3.230 -11.016 -8.764 101 HG3 LYS 13 3HG LYS 13 4.513 -10.808 -9.958 102 HD2 LYS 13 2HD LYS 13 4.718 -12.853 -7.769 103 HD3 LYS 13 3HD LYS 13 3.877 -13.200 -9.282 104 HE2 LYS 13 2HE LYS 13 5.846 -12.899 -10.554 105 HE3 LYS 13 3HE LYS 13 6.695 -12.151 -9.202 106 HZ1 LYS 13 3HZ LYS 13 6.977 -14.177 -8.153 107 HZ2 LYS 13 1HZ LYS 13 7.197 -14.585 -9.780 108 HZ3 LYS 13 2HZ LYS 13 5.731 -14.931 -9.012 109 H GLU 14 HN GLU 14 5.424 -7.959 -6.178 110 HA GLU 14 HA GLU 14 7.822 -8.481 -4.890 111 HB2 GLU 14 2HB GLU 14 5.986 -6.099 -4.843 112 HB3 GLU 14 3HB GLU 14 7.484 -6.113 -3.923 113 HG2 GLU 14 2HG GLU 14 7.559 -6.794 -6.820 114 HG3 GLU 14 3HG GLU 14 7.395 -5.108 -6.332 115 H LEU 15 HN LEU 15 4.580 -8.209 -3.574 116 HA LEU 15 HA LEU 15 5.387 -8.172 -0.836 117 HB2 LEU 15 2HB LEU 15 3.193 -7.349 -1.793 118 HB3 LEU 15 3HB LEU 15 2.715 -9.042 -1.909 119 HG LEU 15 HG LEU 15 3.359 -8.984 0.677 120 HD11 LEU 15 1HD1 LEU 15 2.740 -6.149 -0.068 121 HD12 LEU 15 2HD1 LEU 15 4.032 -6.772 0.957 122 HD13 LEU 15 3HD1 LEU 15 2.367 -6.780 1.536 123 HD21 LEU 15 3HD2 LEU 15 0.895 -8.570 -0.855 124 HD22 LEU 15 1HD2 LEU 15 0.811 -8.042 0.826 125 HD23 LEU 15 2HD2 LEU 15 1.249 -9.708 0.446 126 H GLU 16 HN GLU 16 3.884 -10.691 -2.867 127 HA GLU 16 HA GLU 16 3.833 -12.780 -1.110 128 HB2 GLU 16 2HB GLU 16 4.218 -12.606 -4.060 129 HB3 GLU 16 3HB GLU 16 4.482 -14.162 -3.286 130 HG2 GLU 16 2HG GLU 16 2.145 -13.622 -2.192 131 HG3 GLU 16 3HG GLU 16 1.977 -12.609 -3.625 132 H LYS 17 HN LYS 17 6.614 -11.495 -2.825 133 HA LYS 17 HA LYS 17 8.418 -13.585 -2.221 134 HB2 LYS 17 2HB LYS 17 8.648 -10.770 -3.160 135 HB3 LYS 17 3HB LYS 17 10.092 -11.524 -2.496 136 HG2 LYS 17 2HG LYS 17 10.288 -12.997 -4.221 137 HG3 LYS 17 3HG LYS 17 8.552 -13.032 -4.537 138 HD2 LYS 17 2HD LYS 17 9.476 -11.890 -6.369 139 HD3 LYS 17 3HD LYS 17 8.821 -10.621 -5.331 140 HE2 LYS 17 2HE LYS 17 11.676 -11.473 -5.060 141 HE3 LYS 17 3HE LYS 17 11.202 -10.359 -6.341 142 HZ1 LYS 17 3HZ LYS 17 11.686 -9.790 -3.645 143 HZ2 LYS 17 1HZ LYS 17 10.050 -9.483 -3.948 144 HZ3 LYS 17 2HZ LYS 17 11.240 -8.720 -4.876 145 H LEU 18 HN LEU 18 7.542 -10.610 -0.538 146 HA LEU 18 HA LEU 18 9.511 -10.565 1.415 147 HB2 LEU 18 2HB LEU 18 6.618 -9.745 1.549 148 HB3 LEU 18 3HB LEU 18 7.786 -9.403 2.823 149 HG LEU 18 HG LEU 18 8.039 -8.412 -0.014 150 HD11 LEU 18 1HD1 LEU 18 6.526 -6.865 0.461 151 HD12 LEU 18 2HD1 LEU 18 7.549 -6.299 1.780 152 HD13 LEU 18 3HD1 LEU 18 6.315 -7.522 2.084 153 HD21 LEU 18 3HD2 LEU 18 9.491 -6.740 1.504 154 HD22 LEU 18 1HD2 LEU 18 10.157 -8.181 0.735 155 HD23 LEU 18 2HD2 LEU 18 9.680 -8.228 2.433 156 H ASP 19 HN ASP 19 9.011 -10.941 3.828 157 HA ASP 19 HA ASP 19 8.821 -13.690 4.285 158 HB2 ASP 19 2HB ASP 19 9.887 -11.949 5.787 159 HB3 ASP 19 3HB ASP 19 8.264 -11.557 6.349 160 H ARG 20 HN ARG 20 7.214 -14.999 5.159 161 HA ARG 20 HA ARG 20 4.623 -14.644 4.247 162 HB2 ARG 20 2HB ARG 20 5.908 -16.435 6.250 163 HB3 ARG 20 3HB ARG 20 4.151 -16.350 6.240 164 HG2 ARG 20 2HG ARG 20 5.671 -16.852 3.712 165 HG3 ARG 20 3HG ARG 20 5.321 -18.163 4.840 166 HD2 ARG 20 2HD ARG 20 3.107 -16.358 3.990 167 HD3 ARG 20 3HD ARG 20 3.679 -17.592 2.867 168 HE ARG 20 HE ARG 20 3.261 -18.887 5.262 169 HH11 ARG 20 2HH1 ARG 20 1.349 -17.044 3.011 170 HH12 ARG 20 1HH1 ARG 20 -0.121 -17.887 3.368 171 HH21 ARG 20 2HH2 ARG 20 1.332 -20.005 5.741 172 HH22 ARG 20 1HH2 ARG 20 -0.130 -19.571 4.922 173 H GLU 21 HN GLU 21 5.932 -14.032 7.492 174 HA GLU 21 HA GLU 21 3.529 -13.244 8.700 175 HB2 GLU 21 2HB GLU 21 6.423 -12.797 9.288 176 HB3 GLU 21 3HB GLU 21 5.230 -11.855 10.170 177 HG2 GLU 21 2HG GLU 21 4.323 -13.728 11.199 178 HG3 GLU 21 3HG GLU 21 5.010 -14.832 10.009 179 H VAL 22 HN VAL 22 6.068 -11.299 7.147 180 HA VAL 22 HA VAL 22 4.942 -8.782 7.571 181 HB VAL 22 HB VAL 22 6.603 -9.680 5.213 182 HG11 VAL 22 1HG1 VAL 22 5.259 -7.281 5.575 183 HG12 VAL 22 2HG1 VAL 22 6.918 -6.932 6.068 184 HG13 VAL 22 3HG1 VAL 22 6.592 -7.584 4.461 185 HG21 VAL 22 3HG2 VAL 22 7.339 -9.755 7.829 186 HG22 VAL 22 1HG2 VAL 22 8.452 -9.528 6.480 187 HG23 VAL 22 2HG2 VAL 22 7.849 -8.130 7.372 188 H ALA 23 HN ALA 23 4.669 -10.886 4.706 189 HA ALA 23 HA ALA 23 2.999 -9.316 3.168 190 HB1 ALA 23 1HB ALA 23 4.010 -11.896 3.021 191 HB2 ALA 23 2HB ALA 23 2.259 -12.105 2.973 192 HB3 ALA 23 3HB ALA 23 3.055 -11.064 1.793 193 H ARG 24 HN ARG 24 2.085 -11.719 5.624 194 HA ARG 24 HA ARG 24 -0.709 -11.350 5.324 195 HB2 ARG 24 2HB ARG 24 0.342 -13.359 6.348 196 HB3 ARG 24 3HB ARG 24 0.795 -12.379 7.736 197 HG2 ARG 24 2HG ARG 24 -1.692 -11.872 7.976 198 HG3 ARG 24 3HG ARG 24 -1.945 -13.205 6.848 199 HD2 ARG 24 2HD ARG 24 -0.581 -14.637 8.398 200 HD3 ARG 24 3HD ARG 24 -0.628 -13.307 9.554 201 HE ARG 24 HE ARG 24 -2.807 -13.839 10.031 202 HH11 ARG 24 2HH1 ARG 24 -1.828 -15.479 7.122 203 HH12 ARG 24 1HH1 ARG 24 -3.255 -16.458 7.037 204 HH21 ARG 24 2HH2 ARG 24 -4.691 -15.121 9.931 205 HH22 ARG 24 1HH2 ARG 24 -4.884 -16.252 8.635 206 H ARG 25 HN ARG 25 1.706 -9.941 7.484 207 HA ARG 25 HA ARG 25 -0.057 -8.543 9.164 208 HB2 ARG 25 2HB ARG 25 2.162 -8.748 9.921 209 HB3 ARG 25 3HB ARG 25 2.825 -8.139 8.411 210 HG2 ARG 25 2HG ARG 25 2.345 -5.935 8.937 211 HG3 ARG 25 3HG ARG 25 1.128 -6.383 10.133 212 HD2 ARG 25 2HD ARG 25 2.856 -5.774 11.509 213 HD3 ARG 25 3HD ARG 25 3.183 -7.498 11.330 214 HE ARG 25 HE ARG 25 4.741 -5.303 10.261 215 HH11 ARG 25 2HH1 ARG 25 4.069 -8.718 10.194 216 HH12 ARG 25 1HH1 ARG 25 5.599 -9.138 9.497 217 HH21 ARG 25 2HH2 ARG 25 6.758 -5.843 9.344 218 HH22 ARG 25 1HH2 ARG 25 7.128 -7.502 9.015 219 H ILE 26 HN ILE 26 1.484 -7.645 6.112 220 HA ILE 26 HA ILE 26 0.651 -4.953 6.079 221 HB ILE 26 HB ILE 26 1.298 -6.802 3.781 222 HG12 ILE 26 2HG1 ILE 26 2.990 -4.610 4.982 223 HG13 ILE 26 3HG1 ILE 26 3.089 -6.286 5.510 224 HG21 ILE 26 1HG2 ILE 26 -0.122 -4.869 3.129 225 HG22 ILE 26 2HG2 ILE 26 1.128 -3.794 3.752 226 HG23 ILE 26 3HG2 ILE 26 1.478 -4.855 2.388 227 HD11 ILE 26 3HD1 ILE 26 3.708 -5.200 2.777 228 HD12 ILE 26 1HD1 ILE 26 4.841 -5.871 3.949 229 HD13 ILE 26 2HD1 ILE 26 3.651 -6.917 3.175 230 H LEU 27 HN LEU 27 -0.651 -7.690 4.191 231 HA LEU 27 HA LEU 27 -2.913 -6.381 3.234 232 HB2 LEU 27 2HB LEU 27 -2.249 -9.259 3.710 233 HB3 LEU 27 3HB LEU 27 -3.857 -8.796 3.159 234 HG LEU 27 HG LEU 27 -1.379 -7.988 1.664 235 HD11 LEU 27 1HD1 LEU 27 -1.616 -9.926 0.265 236 HD12 LEU 27 2HD1 LEU 27 -3.013 -10.475 1.189 237 HD13 LEU 27 3HD1 LEU 27 -1.416 -10.450 1.937 238 HD21 LEU 27 3HD2 LEU 27 -4.275 -7.767 1.302 239 HD22 LEU 27 1HD2 LEU 27 -3.413 -8.372 -0.113 240 HD23 LEU 27 2HD2 LEU 27 -2.964 -6.820 0.596 241 H ARG 28 HN ARG 28 -2.319 -7.940 6.304 242 HA ARG 28 HA ARG 28 -5.060 -7.985 7.130 243 HB2 ARG 28 2HB ARG 28 -3.368 -9.537 8.044 244 HB3 ARG 28 3HB ARG 28 -2.544 -8.177 8.795 245 HG2 ARG 28 2HG ARG 28 -4.333 -7.796 10.291 246 HG3 ARG 28 3HG ARG 28 -5.400 -8.884 9.400 247 HD2 ARG 28 2HD ARG 28 -3.721 -10.717 9.955 248 HD3 ARG 28 3HD ARG 28 -3.022 -9.576 11.103 249 HE ARG 28 HE ARG 28 -5.674 -9.614 11.725 250 HH11 ARG 28 2HH1 ARG 28 -3.195 -12.039 11.417 251 HH12 ARG 28 1HH1 ARG 28 -3.895 -13.092 12.601 252 HH21 ARG 28 2HH2 ARG 28 -6.606 -10.993 13.286 253 HH22 ARG 28 1HH2 ARG 28 -5.836 -12.497 13.663 254 H PHE 29 HN PHE 29 -2.439 -5.702 7.303 255 HA PHE 29 HA PHE 29 -3.650 -4.037 9.301 256 HB2 PHE 29 2HB PHE 29 -1.307 -3.866 9.208 257 HB3 PHE 29 3HB PHE 29 -1.298 -3.727 7.453 258 HD1 PHE 29 1HD PHE 29 -2.077 -1.949 10.590 259 HD2 PHE 29 2HD PHE 29 -1.471 -1.627 6.389 260 HE1 PHE 29 1HE PHE 29 -2.007 0.502 10.791 261 HE2 PHE 29 2HE PHE 29 -1.399 0.824 6.584 262 HZ PHE 29 HZ PHE 29 -1.666 1.892 8.787 263 H LEU 30 HN LEU 30 -3.728 -4.262 5.829 264 HA LEU 30 HA LEU 30 -5.051 -1.686 5.547 265 HB2 LEU 30 2HB LEU 30 -4.134 -3.782 3.602 266 HB3 LEU 30 3HB LEU 30 -5.148 -2.429 3.103 267 HG LEU 30 HG LEU 30 -2.610 -1.832 4.541 268 HD11 LEU 30 1HD1 LEU 30 -2.751 -3.331 2.070 269 HD12 LEU 30 2HD1 LEU 30 -1.356 -2.929 3.070 270 HD13 LEU 30 3HD1 LEU 30 -1.929 -1.786 1.855 271 HD21 LEU 30 3HD2 LEU 30 -2.988 0.228 3.777 272 HD22 LEU 30 1HD2 LEU 30 -4.597 -0.345 3.336 273 HD23 LEU 30 2HD2 LEU 30 -3.302 -0.349 2.139 274 H ARG 31 HN ARG 31 -5.786 -5.123 5.351 275 HA ARG 31 HA ARG 31 -8.470 -4.745 4.427 276 HB2 ARG 31 2HB ARG 31 -8.673 -7.060 4.489 277 HB3 ARG 31 3HB ARG 31 -6.951 -6.836 4.211 278 HG2 ARG 31 2HG ARG 31 -6.753 -6.996 6.782 279 HG3 ARG 31 3HG ARG 31 -8.363 -7.714 6.694 280 HD2 ARG 31 2HD ARG 31 -6.008 -8.697 5.094 281 HD3 ARG 31 3HD ARG 31 -6.451 -9.346 6.672 282 HE ARG 31 HE ARG 31 -8.728 -9.476 5.116 283 HH11 ARG 31 2HH1 ARG 31 -5.502 -10.782 5.037 284 HH12 ARG 31 1HH1 ARG 31 -5.967 -12.229 4.205 285 HH21 ARG 31 2HH2 ARG 31 -9.353 -11.377 4.020 286 HH22 ARG 31 1HH2 ARG 31 -8.158 -12.566 3.626 287 H GLU 32 HN GLU 32 -6.969 -4.305 7.398 288 HA GLU 32 HA GLU 32 -9.503 -4.681 8.851 289 HB2 GLU 32 2HB GLU 32 -6.649 -4.716 9.833 290 HB3 GLU 32 3HB GLU 32 -8.039 -4.671 10.908 291 HG2 GLU 32 2HG GLU 32 -7.524 -6.831 8.879 292 HG3 GLU 32 3HG GLU 32 -7.091 -6.932 10.585 293 H ARG 33 HN ARG 33 -6.579 -2.680 9.258 294 HA ARG 33 HA ARG 33 -7.913 -0.560 10.528 295 HB2 ARG 33 2HB ARG 33 -5.360 -0.334 8.933 296 HB3 ARG 33 3HB ARG 33 -5.881 0.685 10.269 297 HG2 ARG 33 2HG ARG 33 -5.560 -2.217 10.787 298 HG3 ARG 33 3HG ARG 33 -4.104 -1.242 10.583 299 HD2 ARG 33 2HD ARG 33 -4.713 0.187 12.387 300 HD3 ARG 33 3HD ARG 33 -6.327 -0.517 12.478 301 HE ARG 33 HE ARG 33 -4.300 -2.471 12.906 302 HH11 ARG 33 2HH1 ARG 33 -6.042 0.125 14.438 303 HH12 ARG 33 1HH1 ARG 33 -5.840 -0.508 16.037 304 HH21 ARG 33 2HH2 ARG 33 -4.027 -3.315 15.007 305 HH22 ARG 33 1HH2 ARG 33 -4.693 -2.465 16.360 306 H VAL 34 HN VAL 34 -6.440 -0.458 7.280 307 HA VAL 34 HA VAL 34 -7.791 1.855 6.453 308 HB VAL 34 HB VAL 34 -6.650 -0.368 4.753 309 HG11 VAL 34 1HG1 VAL 34 -8.053 0.828 3.317 310 HG12 VAL 34 2HG1 VAL 34 -7.668 2.373 4.078 311 HG13 VAL 34 3HG1 VAL 34 -6.467 1.560 3.073 312 HG21 VAL 34 3HG2 VAL 34 -5.445 1.753 6.320 313 HG22 VAL 34 1HG2 VAL 34 -4.694 0.369 5.527 314 HG23 VAL 34 2HG2 VAL 34 -4.994 1.850 4.618 315 H ALA 35 HN ALA 35 -8.855 -1.392 6.713 316 HA ALA 35 HA ALA 35 -10.941 -1.245 4.750 317 HB1 ALA 35 1HB ALA 35 -10.095 -3.404 5.245 318 HB2 ALA 35 2HB ALA 35 -10.370 -3.189 6.975 319 HB3 ALA 35 3HB ALA 35 -11.741 -3.348 5.876 320 H THR 36 HN THR 36 -10.868 -1.155 8.309 321 HA THR 36 HA THR 36 -13.669 -0.523 8.484 322 HB THR 36 HB THR 36 -12.677 -1.810 10.276 323 HG1 THR 36 1HG THR 36 -13.140 -0.140 12.044 324 HG21 THR 36 3HG2 THR 36 -11.123 0.387 11.442 325 HG22 THR 36 1HG2 THR 36 -10.458 -0.252 9.939 326 HG23 THR 36 2HG2 THR 36 -10.736 -1.328 11.309 327 H LEU 37 HN LEU 37 -10.677 1.244 8.379 328 HA LEU 37 HA LEU 37 -11.489 3.666 9.522 329 HB2 LEU 37 2HB LEU 37 -9.422 2.921 7.491 330 HB3 LEU 37 3HB LEU 37 -9.721 4.615 7.876 331 HG LEU 37 HG LEU 37 -8.903 2.524 9.891 332 HD11 LEU 37 1HD1 LEU 37 -6.819 2.755 9.182 333 HD12 LEU 37 2HD1 LEU 37 -6.908 4.486 9.502 334 HD13 LEU 37 3HD1 LEU 37 -7.350 3.860 7.914 335 HD21 LEU 37 3HD2 LEU 37 -10.011 4.220 11.054 336 HD22 LEU 37 1HD2 LEU 37 -9.365 5.486 10.010 337 HD23 LEU 37 2HD2 LEU 37 -8.309 4.670 11.162 338 H GLU 38 HN GLU 38 -13.088 4.960 8.930 339 HA GLU 38 HA GLU 38 -14.677 4.775 6.717 340 HB2 GLU 38 2HB GLU 38 -13.963 7.155 8.415 341 HB3 GLU 38 3HB GLU 38 -15.123 7.279 7.101 342 HG2 GLU 38 2HG GLU 38 -16.435 6.929 8.982 343 HG3 GLU 38 3HG GLU 38 -16.339 5.338 8.229 344 H ASP 39 HN ASP 39 -11.648 6.541 7.032 345 HA ASP 39 HA ASP 39 -11.628 6.885 4.112 346 HB2 ASP 39 2HB ASP 39 -10.419 8.957 5.921 347 HB3 ASP 39 3HB ASP 39 -10.893 9.105 4.231 348 HA PRO 40 HA PRO 40 -7.711 4.882 4.418 349 HB2 PRO 40 2HB PRO 40 -6.750 5.538 1.965 350 HB3 PRO 40 3HB PRO 40 -8.007 4.319 2.210 351 HG2 PRO 40 2HG PRO 40 -8.280 7.183 1.380 352 HG3 PRO 40 3HG PRO 40 -9.109 5.750 0.744 353 HD2 PRO 40 2HD PRO 40 -10.275 7.445 2.504 354 HD3 PRO 40 3HD PRO 40 -10.630 5.706 2.475 355 H ARG 41 HN ARG 41 -8.165 8.234 4.233 356 HA ARG 41 HA ARG 41 -5.324 8.873 4.243 357 HB2 ARG 41 2HB ARG 41 -7.850 10.481 4.123 358 HB3 ARG 41 3HB ARG 41 -6.344 11.255 4.598 359 HG2 ARG 41 2HG ARG 41 -5.396 10.223 2.431 360 HG3 ARG 41 3HG ARG 41 -7.090 10.034 1.975 361 HD2 ARG 41 2HD ARG 41 -6.181 12.675 3.001 362 HD3 ARG 41 3HD ARG 41 -5.723 12.210 1.363 363 HE ARG 41 HE ARG 41 -8.246 13.137 2.179 364 HH11 ARG 41 2HH1 ARG 41 -6.809 10.676 0.180 365 HH12 ARG 41 1HH1 ARG 41 -8.155 10.588 -0.907 366 HH21 ARG 41 2HH2 ARG 41 -10.025 13.031 0.755 367 HH22 ARG 41 1HH2 ARG 41 -9.984 11.928 -0.579 368 H SER 42 HN SER 42 -6.097 7.285 6.393 369 HA SER 42 HA SER 42 -6.219 9.131 8.672 370 HB2 SER 42 2HB SER 42 -7.894 7.441 8.840 371 HB3 SER 42 3HB SER 42 -6.747 6.166 8.430 372 HG SER 42 HG SER 42 -6.753 7.743 10.791 373 H LEU 43 HN LEU 43 -4.416 6.296 7.508 374 HA LEU 43 HA LEU 43 -2.200 7.076 9.284 375 HB2 LEU 43 2HB LEU 43 -3.134 4.423 8.264 376 HB3 LEU 43 3HB LEU 43 -1.458 4.645 8.765 377 HG LEU 43 HG LEU 43 -2.245 5.285 11.014 378 HD11 LEU 43 1HD1 LEU 43 -4.955 4.595 9.892 379 HD12 LEU 43 2HD1 LEU 43 -4.420 6.167 10.483 380 HD13 LEU 43 3HD1 LEU 43 -4.600 4.819 11.605 381 HD21 LEU 43 3HD2 LEU 43 -1.599 3.014 10.705 382 HD22 LEU 43 1HD2 LEU 43 -3.133 2.619 9.929 383 HD23 LEU 43 2HD2 LEU 43 -3.090 3.010 11.649 384 H GLY 44 HN GLY 44 -0.052 6.958 8.472 385 HA2 GLY 44 1HA GLY 44 1.583 6.837 6.799 386 HA3 GLY 44 2HA GLY 44 0.316 6.563 5.612 387 H GLU 45 HN GLU 45 1.846 8.150 4.499 388 HA GLU 45 HA GLU 45 0.725 10.829 4.860 389 HB2 GLU 45 2HB GLU 45 2.854 11.914 4.766 390 HB3 GLU 45 3HB GLU 45 2.934 10.703 6.037 391 HG2 GLU 45 2HG GLU 45 4.046 9.175 4.412 392 HG3 GLU 45 3HG GLU 45 4.102 10.520 3.273 393 HA PRO 46 HA PRO 46 0.369 10.782 0.484 394 HB2 PRO 46 2HB PRO 46 0.493 13.441 -0.052 395 HB3 PRO 46 3HB PRO 46 -0.913 12.677 0.699 396 HG2 PRO 46 2HG PRO 46 1.323 14.203 1.977 397 HG3 PRO 46 3HG PRO 46 -0.418 14.284 2.305 398 HD2 PRO 46 2HD PRO 46 1.297 12.892 3.872 399 HD3 PRO 46 3HD PRO 46 -0.386 12.389 3.617 400 H LEU 47 HN LEU 47 1.431 12.310 -1.428 401 HA LEU 47 HA LEU 47 4.315 12.486 -1.040 402 HB2 LEU 47 2HB LEU 47 3.828 10.174 -1.791 403 HB3 LEU 47 3HB LEU 47 3.090 10.837 -3.247 404 HG LEU 47 HG LEU 47 5.489 11.958 -3.488 405 HD11 LEU 47 1HD1 LEU 47 6.058 10.719 -1.251 406 HD12 LEU 47 2HD1 LEU 47 7.246 10.823 -2.550 407 HD13 LEU 47 3HD1 LEU 47 6.315 9.343 -2.323 408 HD21 LEU 47 3HD2 LEU 47 5.246 9.063 -4.203 409 HD22 LEU 47 1HD2 LEU 47 5.932 10.393 -5.136 410 HD23 LEU 47 2HD2 LEU 47 4.184 10.260 -4.945 411 H ARG 48 HN ARG 48 5.360 13.850 -2.497 412 HA ARG 48 HA ARG 48 3.652 15.241 -4.444 413 HB2 ARG 48 2HB ARG 48 3.865 16.581 -2.352 414 HB3 ARG 48 3HB ARG 48 5.607 16.609 -2.588 415 HG2 ARG 48 2HG ARG 48 5.481 18.047 -4.378 416 HG3 ARG 48 3HG ARG 48 3.820 17.591 -4.762 417 HD2 ARG 48 2HD ARG 48 3.559 19.700 -3.846 418 HD3 ARG 48 3HD ARG 48 3.259 18.645 -2.465 419 HE ARG 48 HE ARG 48 5.953 19.215 -2.406 420 HH11 ARG 48 2HH1 ARG 48 2.979 21.022 -2.288 421 HH12 ARG 48 1HH1 ARG 48 3.640 22.296 -1.318 422 HH21 ARG 48 2HH2 ARG 48 6.834 20.887 -1.129 423 HH22 ARG 48 1HH2 ARG 48 5.833 22.219 -0.660 424 H GLY 49 HN GLY 49 4.591 15.684 -6.372 425 HA2 GLY 49 1HA GLY 49 7.447 15.794 -6.699 426 HA3 GLY 49 2HA GLY 49 6.745 14.311 -7.328 427 HA PRO 50 HA PRO 50 6.330 18.080 -10.271 428 HB2 PRO 50 2HB PRO 50 8.552 17.748 -11.794 429 HB3 PRO 50 3HB PRO 50 8.518 18.774 -10.355 430 HG2 PRO 50 2HG PRO 50 9.531 15.973 -10.662 431 HG3 PRO 50 3HG PRO 50 10.255 17.335 -9.787 432 HD2 PRO 50 2HD PRO 50 8.871 15.372 -8.538 433 HD3 PRO 50 3HD PRO 50 8.887 17.048 -7.955 434 H GLU 51 HN GLU 51 7.437 14.766 -10.681 435 HA GLU 51 HA GLU 51 5.897 14.607 -13.188 436 HB2 GLU 51 2HB GLU 51 8.324 13.067 -12.274 437 HB3 GLU 51 3HB GLU 51 7.335 12.562 -13.637 438 HG2 GLU 51 2HG GLU 51 7.787 14.751 -14.709 439 HG3 GLU 51 3HG GLU 51 8.884 15.128 -13.382 440 H LEU 52 HN LEU 52 4.971 14.306 -10.377 441 HA LEU 52 HA LEU 52 3.754 11.654 -10.697 442 HB2 LEU 52 2HB LEU 52 4.806 12.781 -8.107 443 HB3 LEU 52 3HB LEU 52 3.920 11.269 -8.286 444 HG LEU 52 HG LEU 52 5.919 10.683 -9.905 445 HD11 LEU 52 1HD1 LEU 52 6.751 13.153 -9.222 446 HD12 LEU 52 2HD1 LEU 52 7.834 11.845 -9.695 447 HD13 LEU 52 3HD1 LEU 52 7.565 12.192 -7.987 448 HD21 LEU 52 3HD2 LEU 52 6.104 9.164 -8.299 449 HD22 LEU 52 1HD2 LEU 52 5.323 10.239 -7.140 450 HD23 LEU 52 2HD2 LEU 52 7.070 10.309 -7.367 451 H GLY 53 HN GLY 53 1.834 11.423 -9.134 452 HA2 GLY 53 1HA GLY 53 0.352 13.978 -9.156 453 HA3 GLY 53 2HA GLY 53 -0.390 12.404 -9.399 454 H ARG 54 HN ARG 54 -1.763 12.215 -7.730 455 HA ARG 54 HA ARG 54 -0.852 12.926 -5.043 456 HB2 ARG 54 2HB ARG 54 -3.563 12.305 -6.203 457 HB3 ARG 54 3HB ARG 54 -3.292 12.421 -4.469 458 HG2 ARG 54 2HG ARG 54 -2.780 14.702 -4.586 459 HG3 ARG 54 3HG ARG 54 -2.537 14.644 -6.333 460 HD2 ARG 54 2HD ARG 54 -4.620 15.625 -6.173 461 HD3 ARG 54 3HD ARG 54 -5.033 13.925 -6.391 462 HE ARG 54 HE ARG 54 -4.823 14.791 -3.641 463 HH11 ARG 54 2HH1 ARG 54 -6.904 14.331 -6.394 464 HH12 ARG 54 1HH1 ARG 54 -8.354 14.250 -5.450 465 HH21 ARG 54 2HH2 ARG 54 -6.725 14.685 -2.386 466 HH22 ARG 54 1HH2 ARG 54 -8.251 14.452 -3.170 467 H PHE 55 HN PHE 55 0.580 11.168 -4.732 468 HA PHE 55 HA PHE 55 -0.684 8.522 -4.545 469 HB2 PHE 55 2HB PHE 55 2.224 9.326 -4.718 470 HB3 PHE 55 3HB PHE 55 1.680 7.676 -4.437 471 HD1 PHE 55 1HD PHE 55 -0.353 7.083 -6.226 472 HD2 PHE 55 2HD PHE 55 2.957 9.685 -6.850 473 HE1 PHE 55 1HE PHE 55 -0.538 6.731 -8.654 474 HE2 PHE 55 2HE PHE 55 2.777 9.338 -9.279 475 HZ PHE 55 HZ PHE 55 1.027 7.860 -10.184 476 H TRP 56 HN TRP 56 -0.922 7.524 -2.633 477 HA TRP 56 HA TRP 56 0.016 8.955 -0.246 478 HB2 TRP 56 2HB TRP 56 -2.470 8.385 -0.653 479 HB3 TRP 56 3HB TRP 56 -2.014 6.733 -0.247 480 HD1 TRP 56 1HD TRP 56 -1.659 6.158 2.283 481 HE1 TRP 56 1HE TRP 56 -1.997 7.473 4.470 482 HE3 TRP 56 3HE TRP 56 -2.268 10.843 0.328 483 HZ2 TRP 56 2HZ TRP 56 -2.461 10.142 5.261 484 HZ3 TRP 56 3HZ TRP 56 -2.655 12.722 1.868 485 HH2 TRP 56 2HH TRP 56 -2.749 12.377 4.283 486 H LYS 57 HN LYS 57 1.135 7.916 1.388 487 HA LYS 57 HA LYS 57 2.167 5.237 0.717 488 HB2 LYS 57 2HB LYS 57 3.639 7.384 2.249 489 HB3 LYS 57 3HB LYS 57 4.283 5.840 1.706 490 HG2 LYS 57 2HG LYS 57 4.492 6.531 -0.465 491 HG3 LYS 57 3HG LYS 57 3.203 7.728 -0.324 492 HD2 LYS 57 2HD LYS 57 5.187 8.982 -0.461 493 HD3 LYS 57 3HD LYS 57 4.767 8.981 1.254 494 HE2 LYS 57 2HE LYS 57 6.316 6.958 1.446 495 HE3 LYS 57 3HE LYS 57 6.899 7.402 -0.157 496 HZ1 LYS 57 3HZ LYS 57 8.223 8.884 0.784 497 HZ2 LYS 57 1HZ LYS 57 7.643 8.476 2.320 498 HZ3 LYS 57 2HZ LYS 57 6.890 9.701 1.430 499 H TYR 58 HN TYR 58 2.618 3.818 2.465 500 HA TYR 58 HA TYR 58 1.319 4.552 5.004 501 HB2 TYR 58 2HB TYR 58 1.051 2.003 3.416 502 HB3 TYR 58 3HB TYR 58 0.655 2.086 5.129 503 HD1 TYR 58 1HD TYR 58 -0.987 4.077 5.765 504 HD2 TYR 58 2HD TYR 58 -0.647 2.349 1.892 505 HE1 TYR 58 1HE TYR 58 -3.239 4.895 5.209 506 HE2 TYR 58 2HE TYR 58 -2.898 3.163 1.324 507 HH TYR 58 HH TYR 58 -4.475 5.493 2.952 508 H ARG 59 HN ARG 59 2.193 3.655 6.887 509 HA ARG 59 HA ARG 59 4.870 2.469 6.550 510 HB2 ARG 59 2HB ARG 59 5.315 3.487 8.844 511 HB3 ARG 59 3HB ARG 59 5.202 4.605 7.491 512 HG2 ARG 59 2HG ARG 59 2.901 5.137 8.122 513 HG3 ARG 59 3HG ARG 59 3.023 4.022 9.485 514 HD2 ARG 59 2HD ARG 59 4.813 6.412 9.074 515 HD3 ARG 59 3HD ARG 59 3.369 6.416 10.086 516 HE ARG 59 HE ARG 59 4.502 5.186 11.677 517 HH11 ARG 59 2HH1 ARG 59 6.381 5.394 8.753 518 HH12 ARG 59 1HH1 ARG 59 7.824 4.770 9.482 519 HH21 ARG 59 2HH2 ARG 59 6.396 4.364 12.647 520 HH22 ARG 59 1HH2 ARG 59 7.831 4.184 11.696 521 H VAL 60 HN VAL 60 5.131 0.484 7.321 522 HA VAL 60 HA VAL 60 3.364 -0.440 9.487 523 HB VAL 60 HB VAL 60 4.074 -1.889 6.945 524 HG11 VAL 60 1HG1 VAL 60 2.571 -3.668 8.366 525 HG12 VAL 60 2HG1 VAL 60 4.327 -3.731 8.198 526 HG13 VAL 60 3HG1 VAL 60 3.602 -2.980 9.620 527 HG21 VAL 60 3HG2 VAL 60 1.652 -0.723 8.138 528 HG22 VAL 60 1HG2 VAL 60 2.074 -0.984 6.446 529 HG23 VAL 60 2HG2 VAL 60 1.442 -2.317 7.413 530 H GLY 61 HN GLY 61 4.832 -0.365 11.128 531 HA2 GLY 61 1HA GLY 61 6.624 -0.983 12.423 532 HA3 GLY 61 2HA GLY 61 6.623 -2.470 11.485 533 H ASP 62 HN ASP 62 8.001 -2.671 9.702 534 HA ASP 62 HA ASP 62 9.971 -0.518 9.351 535 HB2 ASP 62 2HB ASP 62 10.590 -3.460 9.689 536 HB3 ASP 62 3HB ASP 62 11.764 -2.235 9.216 537 H TYR 63 HN TYR 63 7.737 -1.078 7.714 538 HA TYR 63 HA TYR 63 9.126 -1.695 5.219 539 HB2 TYR 63 2HB TYR 63 6.579 -3.044 6.128 540 HB3 TYR 63 3HB TYR 63 7.162 -3.074 4.467 541 HD1 TYR 63 1HD TYR 63 8.291 -3.882 7.934 542 HD2 TYR 63 2HD TYR 63 8.525 -4.820 3.790 543 HE1 TYR 63 1HE TYR 63 9.676 -5.845 8.463 544 HE2 TYR 63 2HE TYR 63 9.909 -6.786 4.308 545 HH TYR 63 HH TYR 63 10.255 -8.317 6.321 546 H ARG 64 HN ARG 64 8.423 -0.530 3.485 547 HA ARG 64 HA ARG 64 6.366 1.490 4.047 548 HB2 ARG 64 2HB ARG 64 8.738 1.426 2.204 549 HB3 ARG 64 3HB ARG 64 7.423 2.563 1.936 550 HG2 ARG 64 2HG ARG 64 8.862 2.366 4.562 551 HG3 ARG 64 3HG ARG 64 9.420 3.402 3.246 552 HD2 ARG 64 2HD ARG 64 7.215 4.518 3.243 553 HD3 ARG 64 3HD ARG 64 6.739 3.528 4.621 554 HE ARG 64 HE ARG 64 7.984 4.884 5.984 555 HH11 ARG 64 2HH1 ARG 64 8.864 5.471 2.667 556 HH12 ARG 64 1HH1 ARG 64 9.848 6.848 3.036 557 HH21 ARG 64 2HH2 ARG 64 9.276 6.696 6.482 558 HH22 ARG 64 1HH2 ARG 64 10.082 7.544 5.206 559 H LEU 65 HN LEU 65 4.687 1.882 2.613 560 HA LEU 65 HA LEU 65 4.392 0.043 0.348 561 HB2 LEU 65 2HB LEU 65 2.074 0.627 2.153 562 HB3 LEU 65 3HB LEU 65 2.248 -0.654 0.955 563 HG LEU 65 HG LEU 65 3.885 -0.582 3.476 564 HD11 LEU 65 1HD1 LEU 65 1.219 -1.920 3.040 565 HD12 LEU 65 2HD1 LEU 65 1.545 -0.574 4.131 566 HD13 LEU 65 3HD1 LEU 65 2.271 -2.151 4.437 567 HD21 LEU 65 3HD2 LEU 65 4.900 -2.207 2.306 568 HD22 LEU 65 1HD2 LEU 65 3.546 -2.390 1.192 569 HD23 LEU 65 2HD2 LEU 65 3.502 -3.178 2.769 570 H ILE 66 HN ILE 66 4.211 1.299 -1.380 571 HA ILE 66 HA ILE 66 3.016 3.947 -1.154 572 HB ILE 66 HB ILE 66 4.151 2.747 -3.667 573 HG12 ILE 66 2HG1 ILE 66 5.760 2.572 -1.719 574 HG13 ILE 66 3HG1 ILE 66 6.331 3.519 -3.089 575 HG21 ILE 66 1HG2 ILE 66 4.748 5.255 -3.933 576 HG22 ILE 66 2HG2 ILE 66 3.087 4.730 -4.204 577 HG23 ILE 66 3HG2 ILE 66 3.530 5.500 -2.681 578 HD11 ILE 66 3HD1 ILE 66 5.276 4.551 -0.472 579 HD12 ILE 66 1HD1 ILE 66 6.924 4.659 -1.088 580 HD13 ILE 66 2HD1 ILE 66 5.630 5.570 -1.867 581 H CYS 67 HN CYS 67 0.839 3.830 -1.136 582 HA CYS 67 HA CYS 67 -0.482 2.195 -3.191 583 HB2 CYS 67 2HB CYS 67 -1.370 3.218 -0.509 584 HB3 CYS 67 3HB CYS 67 -2.551 2.733 -1.719 585 HG CYS 67 HG CYS 67 -1.073 0.866 0.445 586 H HIS 68 HN HIS 68 -2.596 3.162 -3.996 587 HA HIS 68 HA HIS 68 -2.295 6.061 -4.419 588 HB2 HIS 68 2HB HIS 68 -1.618 4.639 -6.404 589 HB3 HIS 68 3HB HIS 68 -3.301 4.129 -6.511 590 HD2 HIS 68 2HD HIS 68 -2.872 7.859 -5.696 591 HE1 HIS 68 1HE HIS 68 -3.712 7.554 -9.843 592 HE2 HIS 68 2HE HIS 68 -3.392 9.118 -7.895 593 H ILE 69 HN ILE 69 -3.917 6.965 -3.325 594 HA ILE 69 HA ILE 69 -6.446 5.631 -2.966 595 HB ILE 69 HB ILE 69 -5.566 8.412 -2.183 596 HG12 ILE 69 2HG1 ILE 69 -5.939 5.944 -0.476 597 HG13 ILE 69 3HG1 ILE 69 -4.382 6.499 -1.080 598 HG21 ILE 69 1HG2 ILE 69 -7.648 8.869 -1.558 599 HG22 ILE 69 2HG2 ILE 69 -8.163 7.401 -2.386 600 HG23 ILE 69 3HG2 ILE 69 -7.769 7.352 -0.668 601 HD11 ILE 69 3HD1 ILE 69 -6.135 8.275 0.571 602 HD12 ILE 69 1HD1 ILE 69 -5.038 7.108 1.309 603 HD13 ILE 69 2HD1 ILE 69 -4.400 8.389 0.277 604 H GLN 70 HN GLN 70 -8.020 5.661 -4.415 605 HA GLN 70 HA GLN 70 -8.154 7.894 -6.322 606 HB2 GLN 70 2HB GLN 70 -9.159 5.055 -6.474 607 HB3 GLN 70 3HB GLN 70 -9.640 6.294 -7.625 608 HG2 GLN 70 2HG GLN 70 -7.473 6.499 -8.484 609 HG3 GLN 70 3HG GLN 70 -6.758 5.657 -7.110 610 HE21 GLN 70 1HE2 GLN 70 -5.814 4.604 -9.157 611 HE22 GLN 70 2HE2 GLN 70 -6.624 3.178 -9.698 612 H ASP 71 HN ASP 71 -9.310 9.358 -5.076 613 HA ASP 71 HA ASP 71 -11.536 8.877 -3.509 614 HB2 ASP 71 2HB ASP 71 -12.058 11.226 -3.734 615 HB3 ASP 71 3HB ASP 71 -10.308 11.041 -3.652 616 H ARG 72 HN ARG 72 -11.340 9.391 -6.994 617 HA ARG 72 HA ARG 72 -13.846 9.820 -7.821 618 HB2 ARG 72 2HB ARG 72 -11.926 9.320 -9.312 619 HB3 ARG 72 3HB ARG 72 -12.113 7.611 -8.942 620 HG2 ARG 72 2HG ARG 72 -13.156 7.929 -11.018 621 HG3 ARG 72 3HG ARG 72 -14.469 7.815 -9.845 622 HD2 ARG 72 2HD ARG 72 -14.477 10.326 -9.765 623 HD3 ARG 72 3HD ARG 72 -13.351 10.304 -11.121 624 HE ARG 72 HE ARG 72 -15.433 8.772 -11.968 625 HH11 ARG 72 2HH1 ARG 72 -15.141 12.000 -10.698 626 HH12 ARG 72 1HH1 ARG 72 -16.502 12.611 -11.579 627 HH21 ARG 72 2HH2 ARG 72 -17.227 9.564 -13.134 628 HH22 ARG 72 1HH2 ARG 72 -17.688 11.224 -12.964 629 H GLU 73 HN GLU 73 -12.660 6.581 -6.921 630 HA GLU 73 HA GLU 73 -15.448 5.829 -6.349 631 HB2 GLU 73 2HB GLU 73 -13.331 4.283 -7.820 632 HB3 GLU 73 3HB GLU 73 -14.654 3.458 -7.009 633 HG2 GLU 73 2HG GLU 73 -15.251 5.666 -8.920 634 HG3 GLU 73 3HG GLU 73 -14.826 4.069 -9.532 635 H ALA 74 HN ALA 74 -13.212 6.815 -4.648 636 HA ALA 74 HA ALA 74 -12.073 6.287 -2.723 637 HB1 ALA 74 1HB ALA 74 -14.707 4.886 -2.284 638 HB2 ALA 74 2HB ALA 74 -13.538 5.261 -1.017 639 HB3 ALA 74 3HB ALA 74 -14.325 6.566 -1.905 640 H THR 75 HN THR 75 -11.003 4.721 -4.585 641 HA THR 75 HA THR 75 -10.841 2.064 -3.316 642 HB THR 75 HB THR 75 -10.642 2.798 -6.235 643 HG1 THR 75 1HG THR 75 -12.403 1.350 -4.606 644 HG21 THR 75 3HG2 THR 75 -9.955 0.145 -4.966 645 HG22 THR 75 1HG2 THR 75 -8.787 1.281 -5.639 646 HG23 THR 75 2HG2 THR 75 -9.972 0.507 -6.692 647 H VAL 76 HN VAL 76 -8.913 1.498 -2.542 648 HA VAL 76 HA VAL 76 -6.599 3.175 -3.215 649 HB VAL 76 HB VAL 76 -6.972 1.286 -0.886 650 HG11 VAL 76 1HG1 VAL 76 -4.931 3.179 -0.420 651 HG12 VAL 76 2HG1 VAL 76 -4.776 1.430 -0.596 652 HG13 VAL 76 3HG1 VAL 76 -4.632 2.476 -2.009 653 HG21 VAL 76 3HG2 VAL 76 -7.079 4.299 -1.009 654 HG22 VAL 76 1HG2 VAL 76 -8.438 3.215 -0.714 655 HG23 VAL 76 2HG2 VAL 76 -7.133 3.334 0.466 656 H LEU 77 HN LEU 77 -5.325 2.368 -4.743 657 HA LEU 77 HA LEU 77 -4.970 -0.550 -4.893 658 HB2 LEU 77 2HB LEU 77 -5.870 0.235 -6.927 659 HB3 LEU 77 3HB LEU 77 -4.774 1.615 -6.966 660 HG LEU 77 HG LEU 77 -2.945 -0.279 -7.145 661 HD11 LEU 77 1HD1 LEU 77 -3.722 -2.180 -8.444 662 HD12 LEU 77 2HD1 LEU 77 -5.382 -1.597 -8.333 663 HD13 LEU 77 3HD1 LEU 77 -4.533 -2.123 -6.879 664 HD21 LEU 77 3HD2 LEU 77 -3.492 -0.225 -9.719 665 HD22 LEU 77 1HD2 LEU 77 -2.939 1.220 -8.873 666 HD23 LEU 77 2HD2 LEU 77 -4.656 1.003 -9.216 667 H VAL 78 HN VAL 78 -3.036 -1.395 -4.462 668 HA VAL 78 HA VAL 78 -0.893 0.275 -3.573 669 HB VAL 78 HB VAL 78 -0.847 -2.700 -4.095 670 HG11 VAL 78 1HG1 VAL 78 1.349 -1.463 -3.856 671 HG12 VAL 78 2HG1 VAL 78 0.866 -1.120 -2.193 672 HG13 VAL 78 3HG1 VAL 78 1.075 -2.789 -2.727 673 HG21 VAL 78 3HG2 VAL 78 -2.441 -1.353 -2.282 674 HG22 VAL 78 1HG2 VAL 78 -1.985 -3.055 -2.210 675 HG23 VAL 78 2HG2 VAL 78 -1.047 -1.853 -1.324 676 H LEU 79 HN LEU 79 1.083 0.666 -4.514 677 HA LEU 79 HA LEU 79 1.320 -0.079 -7.355 678 HB2 LEU 79 2HB LEU 79 1.917 2.446 -5.891 679 HB3 LEU 79 3HB LEU 79 2.888 2.032 -7.302 680 HG LEU 79 HG LEU 79 -0.116 2.228 -7.378 681 HD11 LEU 79 1HD1 LEU 79 0.001 4.454 -8.018 682 HD12 LEU 79 2HD1 LEU 79 1.728 4.369 -8.364 683 HD13 LEU 79 3HD1 LEU 79 1.162 4.363 -6.694 684 HD21 LEU 79 3HD2 LEU 79 2.064 1.831 -9.366 685 HD22 LEU 79 1HD2 LEU 79 0.631 2.739 -9.849 686 HD23 LEU 79 2HD2 LEU 79 0.470 1.080 -9.269 687 H ARG 80 HN ARG 80 3.324 0.903 -4.570 688 HA ARG 80 HA ARG 80 5.301 -1.111 -5.415 689 HB2 ARG 80 2HB ARG 80 5.667 1.748 -4.665 690 HB3 ARG 80 3HB ARG 80 6.900 0.605 -4.151 691 HG2 ARG 80 2HG ARG 80 7.523 1.622 -6.249 692 HG3 ARG 80 3HG ARG 80 7.203 -0.098 -6.482 693 HD2 ARG 80 2HD ARG 80 5.274 0.282 -7.667 694 HD3 ARG 80 3HD ARG 80 4.979 1.839 -6.893 695 HE ARG 80 HE ARG 80 6.326 1.417 -9.329 696 HH11 ARG 80 2HH1 ARG 80 6.533 3.315 -6.418 697 HH12 ARG 80 1HH1 ARG 80 7.355 4.635 -7.182 698 HH21 ARG 80 2HH2 ARG 80 7.407 3.148 -10.347 699 HH22 ARG 80 1HH2 ARG 80 7.851 4.540 -9.417 700 H VAL 81 HN VAL 81 6.365 -2.246 -3.787 701 HA VAL 81 HA VAL 81 5.606 -1.728 -1.015 702 HB VAL 81 HB VAL 81 5.064 -4.325 -2.448 703 HG11 VAL 81 1HG1 VAL 81 6.220 -4.715 -0.290 704 HG12 VAL 81 2HG1 VAL 81 4.931 -3.826 0.523 705 HG13 VAL 81 3HG1 VAL 81 4.569 -5.334 -0.319 706 HG21 VAL 81 3HG2 VAL 81 2.798 -4.012 -1.568 707 HG22 VAL 81 1HG2 VAL 81 3.298 -2.489 -0.832 708 HG23 VAL 81 2HG2 VAL 81 3.290 -2.660 -2.588 709 H GLY 82 HN GLY 82 7.466 -1.627 0.052 710 HA2 GLY 82 1HA GLY 82 9.357 -3.806 -0.110 711 HA3 GLY 82 2HA GLY 82 9.968 -2.284 -0.742 712 H HIS 83 HN HIS 83 11.044 -3.689 1.480 713 HA HIS 83 HA HIS 83 10.245 -2.910 3.990 714 HB2 HIS 83 2HB HIS 83 12.135 -4.456 3.481 715 HB3 HIS 83 3HB HIS 83 13.116 -3.059 3.049 716 HD2 HIS 83 2HD HIS 83 12.094 -5.060 6.146 717 HE1 HIS 83 1HE HIS 83 14.089 -1.576 7.516 718 HE2 HIS 83 2HE HIS 83 13.236 -3.864 8.134 719 H ALA 84 HN ALA 84 11.238 -1.274 5.443 720 HA ALA 84 HA ALA 84 10.676 1.293 4.758 721 HB1 ALA 84 1HB ALA 84 13.021 1.038 6.525 722 HB2 ALA 84 2HB ALA 84 11.487 1.870 6.782 723 HB3 ALA 84 3HB ALA 84 11.589 0.123 7.002 724 H ARG 85 HN ARG 85 13.796 -0.337 4.355 725 HA ARG 85 HA ARG 85 14.903 2.023 3.044 726 HB2 ARG 85 2HB ARG 85 17.025 0.877 3.121 727 HB3 ARG 85 3HB ARG 85 16.260 0.764 4.701 728 HG2 ARG 85 2HG ARG 85 15.417 -1.521 3.933 729 HG3 ARG 85 3HG ARG 85 16.597 -1.373 2.629 730 HD2 ARG 85 2HD ARG 85 17.263 -1.133 5.559 731 HD3 ARG 85 3HD ARG 85 17.419 -2.622 4.627 732 HE ARG 85 HE ARG 85 18.834 -0.646 3.278 733 HH11 ARG 85 2HH1 ARG 85 18.956 -2.312 6.332 734 HH12 ARG 85 1HH1 ARG 85 20.676 -2.173 6.488 735 HH21 ARG 85 2HH2 ARG 85 21.099 -0.456 3.472 736 HH22 ARG 85 1HH2 ARG 85 21.894 -1.116 4.861 737 H ASP 86 HN ASP 86 14.382 -1.426 2.335 738 HA ASP 86 HA ASP 86 15.270 -1.603 -0.230 739 HB2 ASP 86 2HB ASP 86 14.207 -3.433 1.149 740 HB3 ASP 86 3HB ASP 86 12.640 -2.791 0.663 741 H VAL 87 HN VAL 87 11.970 -0.615 0.694 742 HA VAL 87 HA VAL 87 10.733 -0.139 -1.615 743 HB VAL 87 HB VAL 87 9.775 0.512 0.542 744 HG11 VAL 87 1HG1 VAL 87 10.403 2.430 1.739 745 HG12 VAL 87 2HG1 VAL 87 11.928 1.662 1.292 746 HG13 VAL 87 3HG1 VAL 87 11.349 3.066 0.393 747 HG21 VAL 87 3HG2 VAL 87 9.017 2.930 -0.334 748 HG22 VAL 87 1HG2 VAL 87 9.726 2.290 -1.817 749 HG23 VAL 87 2HG2 VAL 87 8.413 1.423 -1.022 750 H TYR 88 HN TYR 88 13.196 2.035 -0.264 751 HA TYR 88 HA TYR 88 13.510 3.196 -2.953 752 HB2 TYR 88 2HB TYR 88 12.472 4.628 -0.967 753 HB3 TYR 88 3HB TYR 88 14.170 4.840 -0.554 754 HD1 TYR 88 1HD TYR 88 15.626 5.293 -2.873 755 HD2 TYR 88 2HD TYR 88 11.585 6.400 -2.131 756 HE1 TYR 88 1HE TYR 88 15.815 7.084 -4.548 757 HE2 TYR 88 2HE TYR 88 11.762 8.193 -3.805 758 HH TYR 88 HH TYR 88 14.018 9.592 -4.769 759 H ARG 89 HN ARG 89 15.018 1.107 -2.547 760 HA ARG 89 HA ARG 89 17.301 1.056 -1.116 761 HB2 ARG 89 2HB ARG 89 16.815 0.295 -3.984 762 HB3 ARG 89 3HB ARG 89 18.389 0.055 -3.237 763 HG2 ARG 89 2HG ARG 89 17.061 -1.195 -1.403 764 HG3 ARG 89 3HG ARG 89 15.786 -1.272 -2.620 765 HD2 ARG 89 2HD ARG 89 17.680 -2.158 -4.164 766 HD3 ARG 89 3HD ARG 89 18.513 -2.501 -2.648 767 HE ARG 89 HE ARG 89 15.817 -3.520 -2.801 768 HH11 ARG 89 2HH1 ARG 89 19.189 -4.149 -3.394 769 HH12 ARG 89 1HH1 ARG 89 19.009 -5.872 -3.354 770 HH21 ARG 89 2HH2 ARG 89 15.567 -5.787 -2.745 771 HH22 ARG 89 1HH2 ARG 89 16.948 -6.802 -2.986 Start of MODEL 15 1 H1 MET 1 HN MET 1 -16.435 -3.603 1.587 2 HA MET 1 HA MET 1 -17.918 -2.127 3.650 3 HB2 MET 1 2HB MET 1 -15.699 -4.126 4.086 4 HB3 MET 1 3HB MET 1 -16.200 -2.966 5.309 5 HG2 MET 1 2HG MET 1 -18.573 -4.003 4.823 6 HG3 MET 1 3HG MET 1 -17.602 -5.370 4.281 7 HE1 MET 1 3HE MET 1 -19.720 -5.468 6.316 8 HE2 MET 1 1HE MET 1 -18.802 -6.947 6.599 9 HE3 MET 1 2HE MET 1 -19.188 -5.878 7.948 10 H GLY 2 HN GLY 2 -17.271 -0.083 3.712 11 HA2 GLY 2 1HA GLY 2 -15.984 1.800 3.444 12 HA3 GLY 2 2HA GLY 2 -14.656 0.799 4.010 13 H TYR 3 HN TYR 3 -13.091 1.607 2.667 14 HA TYR 3 HA TYR 3 -13.507 1.890 -0.156 15 HB2 TYR 3 2HB TYR 3 -11.115 2.146 1.649 16 HB3 TYR 3 3HB TYR 3 -10.940 2.202 -0.101 17 HD1 TYR 3 2HD TYR 3 -13.324 3.692 2.373 18 HD2 TYR 3 1HD TYR 3 -10.682 4.343 -0.898 19 HE1 TYR 3 2HE TYR 3 -13.893 6.084 2.397 20 HE2 TYR 3 1HE TYR 3 -11.242 6.738 -0.882 21 HH TYR 3 HH TYR 3 -13.786 8.015 1.161 22 H ARG 4 HN ARG 4 -12.195 0.780 -1.781 23 HA ARG 4 HA ARG 4 -12.181 -2.074 -1.288 24 HB2 ARG 4 2HB ARG 4 -13.132 -1.266 -3.372 25 HB3 ARG 4 3HB ARG 4 -11.622 -0.465 -3.785 26 HG2 ARG 4 2HG ARG 4 -10.570 -2.428 -4.337 27 HG3 ARG 4 3HG ARG 4 -11.616 -3.404 -3.304 28 HD2 ARG 4 2HD ARG 4 -12.462 -2.053 -5.865 29 HD3 ARG 4 3HD ARG 4 -12.047 -3.759 -5.706 30 HE ARG 4 HE ARG 4 -14.036 -3.243 -3.848 31 HH11 ARG 4 2HH1 ARG 4 -13.655 -3.158 -7.307 32 HH12 ARG 4 1HH1 ARG 4 -15.319 -3.517 -7.630 33 HH21 ARG 4 2HH2 ARG 4 -16.229 -3.716 -4.260 34 HH22 ARG 4 1HH2 ARG 4 -16.782 -3.833 -5.896 35 H ILE 5 HN ILE 5 -10.370 -3.442 -1.773 36 HA ILE 5 HA ILE 5 -7.778 -2.092 -1.381 37 HB ILE 5 HB ILE 5 -8.414 -4.915 -0.537 38 HG12 ILE 5 2HG1 ILE 5 -9.852 -3.404 0.725 39 HG13 ILE 5 3HG1 ILE 5 -8.577 -4.028 1.766 40 HG21 ILE 5 1HG2 ILE 5 -6.325 -5.006 0.352 41 HG22 ILE 5 2HG2 ILE 5 -6.010 -3.855 -0.945 42 HG23 ILE 5 3HG2 ILE 5 -6.277 -3.277 0.699 43 HD11 ILE 5 3HD1 ILE 5 -8.388 -1.363 0.402 44 HD12 ILE 5 1HD1 ILE 5 -9.125 -1.577 1.989 45 HD13 ILE 5 2HD1 ILE 5 -7.425 -1.978 1.745 46 H GLU 6 HN GLU 6 -6.826 -2.033 -3.325 47 HA GLU 6 HA GLU 6 -6.772 -4.520 -4.905 48 HB2 GLU 6 2HB GLU 6 -6.971 -1.651 -5.721 49 HB3 GLU 6 3HB GLU 6 -6.170 -2.788 -6.796 50 HG2 GLU 6 2HG GLU 6 -8.964 -3.137 -5.739 51 HG3 GLU 6 3HG GLU 6 -8.568 -2.425 -7.302 52 H PHE 7 HN PHE 7 -4.816 -5.009 -6.036 53 HA PHE 7 HA PHE 7 -2.427 -3.592 -5.090 54 HB2 PHE 7 2HB PHE 7 -3.043 -6.516 -4.814 55 HB3 PHE 7 3HB PHE 7 -1.374 -5.977 -4.971 56 HD1 PHE 7 1HD PHE 7 -4.441 -5.502 -2.937 57 HD2 PHE 7 2HD PHE 7 -0.198 -5.220 -3.115 58 HE1 PHE 7 1HE PHE 7 -4.376 -5.018 -0.526 59 HE2 PHE 7 2HE PHE 7 -0.126 -4.737 -0.704 60 HZ PHE 7 HZ PHE 7 -2.216 -4.637 0.595 61 H ASP 8 HN ASP 8 -1.285 -2.951 -6.779 62 HA ASP 8 HA ASP 8 -1.755 -3.511 -9.418 63 HB2 ASP 8 2HB ASP 8 0.770 -2.907 -9.700 64 HB3 ASP 8 3HB ASP 8 -0.347 -1.696 -9.075 65 HA PRO 9 HA PRO 9 -0.225 -7.506 -10.379 66 HB2 PRO 9 2HB PRO 9 0.853 -7.127 -12.842 67 HB3 PRO 9 3HB PRO 9 -0.890 -7.128 -12.545 68 HG2 PRO 9 2HG PRO 9 0.977 -4.808 -12.852 69 HG3 PRO 9 3HG PRO 9 -0.647 -5.034 -13.526 70 HD2 PRO 9 2HD PRO 9 -0.179 -3.520 -11.331 71 HD3 PRO 9 3HD PRO 9 -1.685 -4.433 -11.558 72 H ARG 10 HN ARG 10 1.900 -4.878 -10.009 73 HA ARG 10 HA ARG 10 4.295 -6.522 -10.347 74 HB2 ARG 10 2HB ARG 10 3.875 -3.567 -9.918 75 HB3 ARG 10 3HB ARG 10 5.464 -4.314 -9.841 76 HG2 ARG 10 2HG ARG 10 3.674 -4.576 -12.237 77 HG3 ARG 10 3HG ARG 10 4.815 -3.244 -12.036 78 HD2 ARG 10 2HD ARG 10 6.628 -4.937 -11.767 79 HD3 ARG 10 3HD ARG 10 5.452 -6.187 -12.168 80 HE ARG 10 HE ARG 10 5.530 -5.528 -14.375 81 HH11 ARG 10 2HH1 ARG 10 7.220 -3.229 -12.380 82 HH12 ARG 10 1HH1 ARG 10 7.932 -2.393 -13.720 83 HH21 ARG 10 2HH2 ARG 10 6.461 -4.434 -16.148 84 HH22 ARG 10 1HH2 ARG 10 7.499 -3.078 -15.862 85 H ALA 11 HN ALA 11 2.631 -4.590 -7.883 86 HA ALA 11 HA ALA 11 4.456 -5.079 -5.791 87 HB1 ALA 11 1HB ALA 11 1.511 -4.457 -5.601 88 HB2 ALA 11 2HB ALA 11 2.698 -4.293 -4.306 89 HB3 ALA 11 3HB ALA 11 2.806 -3.268 -5.737 90 H GLU 12 HN GLU 12 1.438 -6.710 -6.718 91 HA GLU 12 HA GLU 12 1.062 -8.481 -4.705 92 HB2 GLU 12 2HB GLU 12 0.677 -8.656 -7.648 93 HB3 GLU 12 3HB GLU 12 0.543 -10.148 -6.728 94 HG2 GLU 12 2HG GLU 12 -0.978 -7.693 -5.940 95 HG3 GLU 12 3HG GLU 12 -1.582 -8.796 -7.175 96 H LYS 13 HN LYS 13 3.410 -8.826 -7.337 97 HA LYS 13 HA LYS 13 4.400 -11.344 -6.411 98 HB2 LYS 13 2HB LYS 13 5.209 -9.373 -8.507 99 HB3 LYS 13 3HB LYS 13 6.363 -10.605 -8.013 100 HG2 LYS 13 2HG LYS 13 3.582 -11.358 -8.816 101 HG3 LYS 13 3HG LYS 13 4.828 -11.060 -10.031 102 HD2 LYS 13 2HD LYS 13 6.210 -12.698 -8.467 103 HD3 LYS 13 3HD LYS 13 4.590 -13.256 -8.042 104 HE2 LYS 13 2HE LYS 13 5.493 -12.967 -10.894 105 HE3 LYS 13 3HE LYS 13 5.768 -14.442 -9.968 106 HZ1 LYS 13 3HZ LYS 13 3.748 -15.041 -10.636 107 HZ2 LYS 13 1HZ LYS 13 3.369 -13.491 -11.198 108 HZ3 LYS 13 2HZ LYS 13 3.129 -13.882 -9.570 109 H GLU 14 HN GLU 14 5.594 -8.001 -6.262 110 HA GLU 14 HA GLU 14 8.011 -8.496 -4.971 111 HB2 GLU 14 2HB GLU 14 6.168 -6.112 -4.911 112 HB3 GLU 14 3HB GLU 14 7.721 -6.121 -4.088 113 HG2 GLU 14 2HG GLU 14 7.575 -6.817 -6.985 114 HG3 GLU 14 3HG GLU 14 7.515 -5.130 -6.478 115 H LEU 15 HN LEU 15 4.758 -8.382 -3.727 116 HA LEU 15 HA LEU 15 5.524 -8.221 -0.967 117 HB2 LEU 15 2HB LEU 15 3.340 -7.437 -1.887 118 HB3 LEU 15 3HB LEU 15 2.897 -9.125 -2.135 119 HG LEU 15 HG LEU 15 3.424 -9.259 0.461 120 HD11 LEU 15 1HD1 LEU 15 2.236 -6.537 0.421 121 HD12 LEU 15 2HD1 LEU 15 3.982 -6.690 0.231 122 HD13 LEU 15 3HD1 LEU 15 3.192 -7.339 1.668 123 HD21 LEU 15 3HD2 LEU 15 0.820 -7.992 -0.018 124 HD22 LEU 15 1HD2 LEU 15 1.211 -9.570 0.668 125 HD23 LEU 15 2HD2 LEU 15 1.194 -9.349 -1.082 126 H GLU 16 HN GLU 16 4.098 -10.814 -2.962 127 HA GLU 16 HA GLU 16 4.128 -12.864 -1.136 128 HB2 GLU 16 2HB GLU 16 4.495 -12.813 -4.112 129 HB3 GLU 16 3HB GLU 16 4.617 -14.332 -3.236 130 HG2 GLU 16 2HG GLU 16 2.323 -13.590 -2.228 131 HG3 GLU 16 3HG GLU 16 2.252 -12.578 -3.670 132 H LYS 17 HN LYS 17 6.812 -11.510 -2.926 133 HA LYS 17 HA LYS 17 8.694 -13.553 -2.455 134 HB2 LYS 17 2HB LYS 17 8.881 -10.643 -3.142 135 HB3 LYS 17 3HB LYS 17 10.339 -11.528 -2.714 136 HG2 LYS 17 2HG LYS 17 9.647 -13.201 -4.508 137 HG3 LYS 17 3HG LYS 17 8.501 -11.969 -5.042 138 HD2 LYS 17 2HD LYS 17 10.550 -10.396 -5.053 139 HD3 LYS 17 3HD LYS 17 11.499 -11.885 -5.031 140 HE2 LYS 17 2HE LYS 17 10.227 -12.632 -7.046 141 HE3 LYS 17 3HE LYS 17 9.476 -11.039 -7.099 142 HZ1 LYS 17 3HZ LYS 17 11.363 -10.071 -7.838 143 HZ2 LYS 17 1HZ LYS 17 11.674 -11.625 -8.432 144 HZ3 LYS 17 2HZ LYS 17 12.386 -11.115 -6.985 145 H LEU 18 HN LEU 18 7.589 -10.863 -0.513 146 HA LEU 18 HA LEU 18 9.679 -10.893 1.395 147 HB2 LEU 18 2HB LEU 18 6.824 -9.951 1.572 148 HB3 LEU 18 3HB LEU 18 8.019 -9.704 2.844 149 HG LEU 18 HG LEU 18 8.426 -8.665 0.053 150 HD11 LEU 18 1HD1 LEU 18 7.570 -6.732 2.065 151 HD12 LEU 18 2HD1 LEU 18 6.319 -7.890 1.614 152 HD13 LEU 18 3HD1 LEU 18 7.093 -6.902 0.375 153 HD21 LEU 18 3HD2 LEU 18 10.138 -7.407 0.949 154 HD22 LEU 18 1HD2 LEU 18 10.262 -8.896 1.888 155 HD23 LEU 18 2HD2 LEU 18 9.478 -7.477 2.584 156 H ASP 19 HN ASP 19 9.003 -11.284 3.819 157 HA ASP 19 HA ASP 19 8.738 -14.062 4.153 158 HB2 ASP 19 2HB ASP 19 9.749 -12.233 5.730 159 HB3 ASP 19 3HB ASP 19 8.112 -12.149 6.375 160 H ARG 20 HN ARG 20 7.039 -15.369 4.524 161 HA ARG 20 HA ARG 20 4.492 -14.774 3.730 162 HB2 ARG 20 2HB ARG 20 5.589 -16.842 5.597 163 HB3 ARG 20 3HB ARG 20 3.849 -16.705 5.384 164 HG2 ARG 20 2HG ARG 20 4.038 -17.153 3.038 165 HG3 ARG 20 3HG ARG 20 5.800 -17.103 3.129 166 HD2 ARG 20 2HD ARG 20 5.890 -19.101 4.382 167 HD3 ARG 20 3HD ARG 20 4.160 -19.057 4.717 168 HE ARG 20 HE ARG 20 4.876 -19.276 1.922 169 HH11 ARG 20 2HH1 ARG 20 4.048 -20.948 4.861 170 HH12 ARG 20 1HH1 ARG 20 3.534 -22.390 4.050 171 HH21 ARG 20 2HH2 ARG 20 4.201 -21.169 0.842 172 HH22 ARG 20 1HH2 ARG 20 3.622 -22.515 1.764 173 H GLU 21 HN GLU 21 5.757 -14.643 7.047 174 HA GLU 21 HA GLU 21 3.366 -13.896 8.305 175 HB2 GLU 21 2HB GLU 21 5.088 -14.636 9.721 176 HB3 GLU 21 3HB GLU 21 6.264 -13.538 9.013 177 HG2 GLU 21 2HG GLU 21 5.428 -11.699 10.161 178 HG3 GLU 21 3HG GLU 21 3.890 -12.491 10.500 179 H VAL 22 HN VAL 22 5.806 -12.018 6.630 180 HA VAL 22 HA VAL 22 4.911 -9.461 7.492 181 HB VAL 22 HB VAL 22 6.618 -10.363 5.185 182 HG11 VAL 22 1HG1 VAL 22 7.095 -7.803 5.041 183 HG12 VAL 22 2HG1 VAL 22 5.705 -8.490 4.197 184 HG13 VAL 22 3HG1 VAL 22 5.481 -7.657 5.736 185 HG21 VAL 22 3HG2 VAL 22 7.482 -8.486 7.328 186 HG22 VAL 22 1HG2 VAL 22 7.300 -10.195 7.726 187 HG23 VAL 22 2HG2 VAL 22 8.410 -9.700 6.447 188 H ALA 23 HN ALA 23 4.421 -11.277 4.467 189 HA ALA 23 HA ALA 23 2.826 -9.464 3.121 190 HB1 ALA 23 1HB ALA 23 3.502 -12.233 2.869 191 HB2 ALA 23 2HB ALA 23 1.785 -12.010 2.530 192 HB3 ALA 23 3HB ALA 23 2.990 -11.093 1.624 193 H ARG 24 HN ARG 24 1.891 -11.880 5.530 194 HA ARG 24 HA ARG 24 -0.903 -11.454 5.310 195 HB2 ARG 24 2HB ARG 24 0.097 -13.484 6.307 196 HB3 ARG 24 3HB ARG 24 0.674 -12.519 7.659 197 HG2 ARG 24 2HG ARG 24 -1.813 -11.892 7.970 198 HG3 ARG 24 3HG ARG 24 -2.122 -13.308 6.962 199 HD2 ARG 24 2HD ARG 24 -0.254 -13.590 9.259 200 HD3 ARG 24 3HD ARG 24 -1.981 -13.477 9.598 201 HE ARG 24 HE ARG 24 -1.480 -15.391 7.570 202 HH11 ARG 24 2HH1 ARG 24 -1.232 -14.893 11.006 203 HH12 ARG 24 1HH1 ARG 24 -1.375 -16.577 11.392 204 HH21 ARG 24 2HH2 ARG 24 -1.669 -17.609 8.064 205 HH22 ARG 24 1HH2 ARG 24 -1.623 -18.121 9.718 206 H ARG 25 HN ARG 25 1.557 -10.194 7.538 207 HA ARG 25 HA ARG 25 -0.112 -8.722 9.208 208 HB2 ARG 25 2HB ARG 25 2.056 -8.870 9.995 209 HB3 ARG 25 3HB ARG 25 2.763 -8.517 8.424 210 HG2 ARG 25 2HG ARG 25 2.237 -6.192 8.638 211 HG3 ARG 25 3HG ARG 25 1.320 -6.490 10.115 212 HD2 ARG 25 2HD ARG 25 4.263 -7.062 9.808 213 HD3 ARG 25 3HD ARG 25 3.614 -5.566 10.479 214 HE ARG 25 HE ARG 25 2.463 -7.622 11.918 215 HH11 ARG 25 2HH1 ARG 25 5.674 -6.430 11.293 216 HH12 ARG 25 1HH1 ARG 25 6.307 -6.956 12.818 217 HH21 ARG 25 2HH2 ARG 25 3.284 -8.319 13.929 218 HH22 ARG 25 1HH2 ARG 25 4.947 -8.031 14.316 219 H ILE 26 HN ILE 26 1.516 -7.728 6.210 220 HA ILE 26 HA ILE 26 0.639 -5.064 6.200 221 HB ILE 26 HB ILE 26 1.348 -6.869 3.887 222 HG12 ILE 26 2HG1 ILE 26 2.981 -4.638 5.089 223 HG13 ILE 26 3HG1 ILE 26 3.084 -6.293 5.679 224 HG21 ILE 26 1HG2 ILE 26 1.050 -3.868 3.903 225 HG22 ILE 26 2HG2 ILE 26 1.551 -4.865 2.539 226 HG23 ILE 26 3HG2 ILE 26 -0.088 -5.002 3.175 227 HD11 ILE 26 3HD1 ILE 26 4.062 -7.059 3.732 228 HD12 ILE 26 1HD1 ILE 26 3.478 -5.695 2.780 229 HD13 ILE 26 2HD1 ILE 26 4.790 -5.466 3.937 230 H LEU 27 HN LEU 27 -0.610 -7.744 4.198 231 HA LEU 27 HA LEU 27 -2.805 -6.534 3.121 232 HB2 LEU 27 2HB LEU 27 -2.546 -9.366 4.113 233 HB3 LEU 27 3HB LEU 27 -3.866 -8.793 3.095 234 HG LEU 27 HG LEU 27 -0.970 -8.706 2.265 235 HD11 LEU 27 1HD1 LEU 27 -1.024 -10.864 1.769 236 HD12 LEU 27 2HD1 LEU 27 -2.521 -10.657 0.862 237 HD13 LEU 27 3HD1 LEU 27 -2.579 -10.987 2.593 238 HD21 LEU 27 3HD2 LEU 27 -2.390 -8.792 0.001 239 HD22 LEU 27 1HD2 LEU 27 -1.955 -7.284 0.804 240 HD23 LEU 27 2HD2 LEU 27 -3.560 -7.976 1.038 241 H ARG 28 HN ARG 28 -2.711 -8.257 6.236 242 HA ARG 28 HA ARG 28 -5.375 -7.825 6.960 243 HB2 ARG 28 2HB ARG 28 -2.867 -8.486 8.418 244 HB3 ARG 28 3HB ARG 28 -4.233 -7.922 9.372 245 HG2 ARG 28 2HG ARG 28 -5.618 -9.712 8.411 246 HG3 ARG 28 3HG ARG 28 -4.210 -10.295 7.520 247 HD2 ARG 28 2HD ARG 28 -3.092 -10.924 9.488 248 HD3 ARG 28 3HD ARG 28 -4.180 -9.980 10.505 249 HE ARG 28 HE ARG 28 -4.620 -12.640 9.484 250 HH11 ARG 28 2HH1 ARG 28 -6.090 -9.763 10.782 251 HH12 ARG 28 1HH1 ARG 28 -7.513 -10.582 11.335 252 HH21 ARG 28 2HH2 ARG 28 -6.489 -13.730 10.208 253 HH22 ARG 28 1HH2 ARG 28 -7.738 -12.839 11.009 254 H PHE 29 HN PHE 29 -2.470 -5.940 7.784 255 HA PHE 29 HA PHE 29 -3.600 -4.004 9.378 256 HB2 PHE 29 2HB PHE 29 -1.263 -3.940 9.196 257 HB3 PHE 29 3HB PHE 29 -1.309 -3.922 7.436 258 HD1 PHE 29 1HD PHE 29 -1.925 -1.892 10.458 259 HD2 PHE 29 2HD PHE 29 -1.379 -1.898 6.237 260 HE1 PHE 29 1HE PHE 29 -1.727 0.560 10.484 261 HE2 PHE 29 2HE PHE 29 -1.179 0.555 6.256 262 HZ PHE 29 HZ PHE 29 -1.352 1.787 8.381 263 H LEU 30 HN LEU 30 -3.712 -4.306 5.890 264 HA LEU 30 HA LEU 30 -4.945 -1.710 5.540 265 HB2 LEU 30 2HB LEU 30 -4.167 -3.944 3.706 266 HB3 LEU 30 3HB LEU 30 -5.223 -2.650 3.144 267 HG LEU 30 HG LEU 30 -2.620 -1.920 4.399 268 HD11 LEU 30 1HD1 LEU 30 -2.494 -2.296 1.505 269 HD12 LEU 30 2HD1 LEU 30 -2.617 -3.799 2.418 270 HD13 LEU 30 3HD1 LEU 30 -1.306 -2.669 2.754 271 HD21 LEU 30 3HD2 LEU 30 -3.724 -0.007 3.844 272 HD22 LEU 30 1HD2 LEU 30 -4.593 -0.762 2.508 273 HD23 LEU 30 2HD2 LEU 30 -2.900 -0.307 2.313 274 H ARG 31 HN ARG 31 -5.898 -5.097 5.568 275 HA ARG 31 HA ARG 31 -8.623 -4.513 4.813 276 HB2 ARG 31 2HB ARG 31 -7.155 -7.007 5.626 277 HB3 ARG 31 3HB ARG 31 -8.908 -6.993 5.482 278 HG2 ARG 31 2HG ARG 31 -8.852 -6.684 3.193 279 HG3 ARG 31 3HG ARG 31 -7.213 -6.028 3.221 280 HD2 ARG 31 2HD ARG 31 -6.370 -8.265 3.848 281 HD3 ARG 31 3HD ARG 31 -8.011 -8.895 3.714 282 HE ARG 31 HE ARG 31 -7.185 -7.586 1.324 283 HH11 ARG 31 2HH1 ARG 31 -6.888 -10.546 3.133 284 HH12 ARG 31 1HH1 ARG 31 -6.564 -11.519 1.737 285 HH21 ARG 31 2HH2 ARG 31 -6.759 -8.857 -0.522 286 HH22 ARG 31 1HH2 ARG 31 -6.490 -10.557 -0.341 287 H GLU 32 HN GLU 32 -6.868 -4.220 7.625 288 HA GLU 32 HA GLU 32 -9.246 -4.631 9.313 289 HB2 GLU 32 2HB GLU 32 -6.306 -4.831 9.880 290 HB3 GLU 32 3HB GLU 32 -7.440 -4.512 11.186 291 HG2 GLU 32 2HG GLU 32 -7.604 -6.874 9.331 292 HG3 GLU 32 3HG GLU 32 -6.849 -6.900 10.923 293 H ARG 33 HN ARG 33 -6.316 -2.592 9.347 294 HA ARG 33 HA ARG 33 -7.561 -0.506 10.808 295 HB2 ARG 33 2HB ARG 33 -5.089 -0.314 9.081 296 HB3 ARG 33 3HB ARG 33 -5.541 0.756 10.401 297 HG2 ARG 33 2HG ARG 33 -5.145 -2.157 10.918 298 HG3 ARG 33 3HG ARG 33 -3.752 -1.082 10.777 299 HD2 ARG 33 2HD ARG 33 -4.258 0.052 12.696 300 HD3 ARG 33 3HD ARG 33 -5.989 -0.246 12.543 301 HE ARG 33 HE ARG 33 -4.592 -2.660 13.048 302 HH11 ARG 33 2HH1 ARG 33 -5.705 0.255 14.592 303 HH12 ARG 33 1HH1 ARG 33 -5.831 -0.468 16.161 304 HH21 ARG 33 2HH2 ARG 33 -4.754 -3.624 15.108 305 HH22 ARG 33 1HH2 ARG 33 -5.289 -2.675 16.454 306 H VAL 34 HN VAL 34 -6.210 -0.263 7.520 307 HA VAL 34 HA VAL 34 -7.541 2.037 6.765 308 HB VAL 34 HB VAL 34 -6.755 -0.261 4.968 309 HG11 VAL 34 1HG1 VAL 34 -6.816 1.269 3.154 310 HG12 VAL 34 2HG1 VAL 34 -8.350 1.436 4.011 311 HG13 VAL 34 3HG1 VAL 34 -7.079 2.639 4.231 312 HG21 VAL 34 3HG2 VAL 34 -5.236 1.947 6.244 313 HG22 VAL 34 1HG2 VAL 34 -4.738 0.298 5.869 314 HG23 VAL 34 2HG2 VAL 34 -4.813 1.508 4.589 315 H ALA 35 HN ALA 35 -8.578 -1.332 6.410 316 HA ALA 35 HA ALA 35 -10.842 -1.039 4.885 317 HB1 ALA 35 1HB ALA 35 -10.731 -2.852 7.282 318 HB2 ALA 35 2HB ALA 35 -11.607 -3.093 5.770 319 HB3 ALA 35 3HB ALA 35 -9.846 -3.176 5.792 320 H THR 36 HN THR 36 -10.491 -0.499 8.365 321 HA THR 36 HA THR 36 -13.279 0.215 8.664 322 HB THR 36 HB THR 36 -12.792 0.571 10.998 323 HG1 THR 36 1HG THR 36 -10.553 0.325 11.700 324 HG21 THR 36 3HG2 THR 36 -11.180 -1.690 11.140 325 HG22 THR 36 1HG2 THR 36 -12.042 -1.862 9.611 326 HG23 THR 36 2HG2 THR 36 -12.943 -1.656 11.114 327 H LEU 37 HN LEU 37 -10.160 1.901 9.039 328 HA LEU 37 HA LEU 37 -10.822 4.399 9.696 329 HB2 LEU 37 2HB LEU 37 -8.935 3.456 7.567 330 HB3 LEU 37 3HB LEU 37 -9.113 5.172 7.926 331 HG LEU 37 HG LEU 37 -8.307 3.111 9.972 332 HD11 LEU 37 1HD1 LEU 37 -6.068 4.506 9.576 333 HD12 LEU 37 2HD1 LEU 37 -6.732 4.578 7.945 334 HD13 LEU 37 3HD1 LEU 37 -6.433 3.016 8.706 335 HD21 LEU 37 3HD2 LEU 37 -8.785 4.799 11.352 336 HD22 LEU 37 1HD2 LEU 37 -8.925 5.956 10.028 337 HD23 LEU 37 2HD2 LEU 37 -7.340 5.579 10.705 338 H GLU 38 HN GLU 38 -12.687 5.374 9.163 339 HA GLU 38 HA GLU 38 -14.270 5.207 7.002 340 HB2 GLU 38 2HB GLU 38 -14.390 6.775 9.095 341 HB3 GLU 38 3HB GLU 38 -13.666 7.960 8.018 342 HG2 GLU 38 2HG GLU 38 -15.585 7.370 6.416 343 HG3 GLU 38 3HG GLU 38 -16.343 6.641 7.831 344 H ASP 39 HN ASP 39 -11.180 6.824 7.121 345 HA ASP 39 HA ASP 39 -11.328 7.210 4.215 346 HB2 ASP 39 2HB ASP 39 -11.648 9.350 5.729 347 HB3 ASP 39 3HB ASP 39 -9.895 9.252 5.862 348 HA PRO 40 HA PRO 40 -7.445 5.131 4.267 349 HB2 PRO 40 2HB PRO 40 -6.549 5.874 1.814 350 HB3 PRO 40 3HB PRO 40 -7.833 4.681 2.047 351 HG2 PRO 40 2HG PRO 40 -8.049 7.587 1.360 352 HG3 PRO 40 3HG PRO 40 -8.941 6.209 0.689 353 HD2 PRO 40 2HD PRO 40 -9.995 7.852 2.566 354 HD3 PRO 40 3HD PRO 40 -10.403 6.127 2.469 355 H ARG 41 HN ARG 41 -7.743 8.558 3.894 356 HA ARG 41 HA ARG 41 -4.888 9.042 4.029 357 HB2 ARG 41 2HB ARG 41 -7.323 10.776 3.803 358 HB3 ARG 41 3HB ARG 41 -5.788 11.483 4.286 359 HG2 ARG 41 2HG ARG 41 -4.881 10.280 2.161 360 HG3 ARG 41 3HG ARG 41 -6.578 10.273 1.680 361 HD2 ARG 41 2HD ARG 41 -5.351 12.805 2.669 362 HD3 ARG 41 3HD ARG 41 -5.006 12.267 1.026 363 HE ARG 41 HE ARG 41 -7.794 12.222 1.550 364 HH11 ARG 41 2HH1 ARG 41 -5.146 14.370 0.850 365 HH12 ARG 41 1HH1 ARG 41 -6.148 15.576 0.114 366 HH21 ARG 41 2HH2 ARG 41 -9.124 13.803 0.584 367 HH22 ARG 41 1HH2 ARG 41 -8.411 15.253 -0.036 368 H SER 42 HN SER 42 -5.993 7.579 6.216 369 HA SER 42 HA SER 42 -5.915 9.512 8.424 370 HB2 SER 42 2HB SER 42 -7.782 7.751 8.183 371 HB3 SER 42 3HB SER 42 -6.566 6.582 8.696 372 HG SER 42 HG SER 42 -7.880 8.522 10.149 373 H LEU 43 HN LEU 43 -4.450 6.473 7.332 374 HA LEU 43 HA LEU 43 -2.318 6.829 9.320 375 HB2 LEU 43 2HB LEU 43 -3.365 4.462 7.819 376 HB3 LEU 43 3HB LEU 43 -1.738 4.439 8.497 377 HG LEU 43 HG LEU 43 -4.042 5.113 10.271 378 HD11 LEU 43 1HD1 LEU 43 -4.800 2.984 10.495 379 HD12 LEU 43 2HD1 LEU 43 -3.261 2.264 10.025 380 HD13 LEU 43 3HD1 LEU 43 -4.337 2.926 8.794 381 HD21 LEU 43 3HD2 LEU 43 -2.603 3.958 11.917 382 HD22 LEU 43 1HD2 LEU 43 -1.811 5.341 11.160 383 HD23 LEU 43 2HD2 LEU 43 -1.402 3.703 10.649 384 H GLY 44 HN GLY 44 -0.110 6.565 8.684 385 HA2 GLY 44 1HA GLY 44 1.686 6.618 7.210 386 HA3 GLY 44 2HA GLY 44 0.554 6.505 5.871 387 H GLU 45 HN GLU 45 2.054 8.113 4.932 388 HA GLU 45 HA GLU 45 1.130 10.812 5.601 389 HB2 GLU 45 2HB GLU 45 3.304 11.750 5.601 390 HB3 GLU 45 3HB GLU 45 3.390 10.340 6.647 391 HG2 GLU 45 2HG GLU 45 5.294 10.056 5.440 392 HG3 GLU 45 3HG GLU 45 4.162 9.151 4.437 393 HA PRO 46 HA PRO 46 0.573 11.128 1.247 394 HB2 PRO 46 2HB PRO 46 0.553 13.833 1.008 395 HB3 PRO 46 3HB PRO 46 -0.791 12.920 1.704 396 HG2 PRO 46 2HG PRO 46 1.407 14.407 3.090 397 HG3 PRO 46 3HG PRO 46 -0.325 14.363 3.467 398 HD2 PRO 46 2HD PRO 46 1.500 12.896 4.827 399 HD3 PRO 46 3HD PRO 46 -0.164 12.339 4.558 400 H LEU 47 HN LEU 47 1.565 12.108 -0.700 401 HA LEU 47 HA LEU 47 4.474 12.280 -0.368 402 HB2 LEU 47 2HB LEU 47 2.762 11.687 -2.775 403 HB3 LEU 47 3HB LEU 47 4.515 11.861 -2.831 404 HG LEU 47 HG LEU 47 3.450 9.494 -2.752 405 HD11 LEU 47 1HD1 LEU 47 5.701 10.236 -0.890 406 HD12 LEU 47 2HD1 LEU 47 5.850 9.988 -2.629 407 HD13 LEU 47 3HD1 LEU 47 5.396 8.643 -1.583 408 HD21 LEU 47 3HD2 LEU 47 3.106 8.619 -0.520 409 HD22 LEU 47 1HD2 LEU 47 2.003 9.963 -0.816 410 HD23 LEU 47 2HD2 LEU 47 3.439 10.203 0.180 411 H ARG 48 HN ARG 48 5.688 13.894 -1.420 412 HA ARG 48 HA ARG 48 4.298 16.091 -2.706 413 HB2 ARG 48 2HB ARG 48 4.123 16.658 -0.324 414 HB3 ARG 48 3HB ARG 48 5.866 16.505 -0.155 415 HG2 ARG 48 2HG ARG 48 5.616 18.777 -0.343 416 HG3 ARG 48 3HG ARG 48 5.933 18.320 -2.018 417 HD2 ARG 48 2HD ARG 48 4.111 19.760 -2.181 418 HD3 ARG 48 3HD ARG 48 3.378 18.158 -2.238 419 HE ARG 48 HE ARG 48 3.415 18.965 0.424 420 HH11 ARG 48 2HH1 ARG 48 1.945 19.938 -2.579 421 HH12 ARG 48 1HH1 ARG 48 0.535 20.604 -1.824 422 HH21 ARG 48 2HH2 ARG 48 1.563 19.839 1.430 423 HH22 ARG 48 1HH2 ARG 48 0.319 20.548 0.457 424 H GLY 49 HN GLY 49 5.492 16.784 -4.355 425 HA2 GLY 49 1HA GLY 49 8.109 17.555 -4.396 426 HA3 GLY 49 2HA GLY 49 8.181 15.826 -4.701 427 HA PRO 50 HA PRO 50 7.104 18.444 -8.570 428 HB2 PRO 50 2HB PRO 50 9.578 18.705 -9.657 429 HB3 PRO 50 3HB PRO 50 8.880 19.902 -8.560 430 HG2 PRO 50 2HG PRO 50 10.841 17.716 -7.978 431 HG3 PRO 50 3HG PRO 50 10.840 19.398 -7.415 432 HD2 PRO 50 2HD PRO 50 9.986 17.344 -5.871 433 HD3 PRO 50 3HD PRO 50 9.293 18.975 -5.759 434 H GLU 51 HN GLU 51 8.425 15.538 -7.646 435 HA GLU 51 HA GLU 51 8.189 14.469 -10.380 436 HB2 GLU 51 2HB GLU 51 9.915 12.777 -9.751 437 HB3 GLU 51 3HB GLU 51 10.525 14.424 -9.835 438 HG2 GLU 51 2HG GLU 51 10.097 14.479 -7.297 439 HG3 GLU 51 3HG GLU 51 10.029 12.722 -7.429 440 H LEU 52 HN LEU 52 6.130 14.659 -8.403 441 HA LEU 52 HA LEU 52 5.475 11.823 -8.183 442 HB2 LEU 52 2HB LEU 52 5.672 13.751 -5.908 443 HB3 LEU 52 3HB LEU 52 4.496 12.440 -5.851 444 HG LEU 52 HG LEU 52 7.374 11.828 -6.381 445 HD11 LEU 52 1HD1 LEU 52 8.073 12.340 -4.337 446 HD12 LEU 52 2HD1 LEU 52 6.670 11.573 -3.593 447 HD13 LEU 52 3HD1 LEU 52 6.577 13.251 -4.129 448 HD21 LEU 52 3HD2 LEU 52 6.314 9.934 -4.716 449 HD22 LEU 52 1HD2 LEU 52 6.392 9.820 -6.474 450 HD23 LEU 52 2HD2 LEU 52 4.920 10.398 -5.693 451 H GLY 53 HN GLY 53 3.107 11.656 -7.282 452 HA2 GLY 53 1HA GLY 53 1.503 13.817 -8.501 453 HA3 GLY 53 2HA GLY 53 1.153 12.124 -8.817 454 H ARG 54 HN ARG 54 -0.744 11.734 -7.864 455 HA ARG 54 HA ARG 54 -1.249 12.815 -5.190 456 HB2 ARG 54 2HB ARG 54 -2.896 12.936 -7.213 457 HB3 ARG 54 3HB ARG 54 -3.258 11.268 -6.790 458 HG2 ARG 54 2HG ARG 54 -4.298 11.837 -4.844 459 HG3 ARG 54 3HG ARG 54 -3.337 13.302 -4.630 460 HD2 ARG 54 2HD ARG 54 -5.236 13.120 -6.923 461 HD3 ARG 54 3HD ARG 54 -5.865 13.443 -5.308 462 HE ARG 54 HE ARG 54 -3.848 15.242 -5.596 463 HH11 ARG 54 2HH1 ARG 54 -6.673 14.438 -7.464 464 HH12 ARG 54 1HH1 ARG 54 -6.878 16.041 -8.087 465 HH21 ARG 54 2HH2 ARG 54 -4.107 17.357 -6.409 466 HH22 ARG 54 1HH2 ARG 54 -5.417 17.701 -7.487 467 H PHE 55 HN PHE 55 0.652 10.755 -5.372 468 HA PHE 55 HA PHE 55 -0.628 8.265 -4.661 469 HB2 PHE 55 2HB PHE 55 2.296 9.033 -4.551 470 HB3 PHE 55 3HB PHE 55 1.647 7.402 -4.413 471 HD1 PHE 55 1HD PHE 55 -0.449 7.619 -6.577 472 HD2 PHE 55 2HD PHE 55 3.646 8.773 -6.458 473 HE1 PHE 55 1HE PHE 55 -0.308 7.356 -9.019 474 HE2 PHE 55 2HE PHE 55 3.794 8.512 -8.900 475 HZ PHE 55 HZ PHE 55 1.815 7.804 -10.184 476 H TRP 56 HN TRP 56 -0.005 7.126 -2.635 477 HA TRP 56 HA TRP 56 0.313 8.996 -0.383 478 HB2 TRP 56 2HB TRP 56 -2.065 8.180 -0.723 479 HB3 TRP 56 3HB TRP 56 -1.480 6.568 -0.319 480 HD1 TRP 56 1HD TRP 56 -0.989 6.041 2.219 481 HE1 TRP 56 1HE TRP 56 -1.496 7.300 4.405 482 HE3 TRP 56 3HE TRP 56 -2.231 10.598 0.261 483 HZ2 TRP 56 2HZ TRP 56 -2.315 9.884 5.196 484 HZ3 TRP 56 3HZ TRP 56 -2.865 12.409 1.801 485 HH2 TRP 56 2HH TRP 56 -2.906 12.058 4.217 486 H LYS 57 HN LYS 57 1.267 8.113 1.522 487 HA LYS 57 HA LYS 57 2.840 5.672 1.018 488 HB2 LYS 57 2HB LYS 57 4.013 7.993 1.189 489 HB3 LYS 57 3HB LYS 57 3.722 7.824 2.915 490 HG2 LYS 57 2HG LYS 57 5.794 6.912 2.803 491 HG3 LYS 57 3HG LYS 57 4.836 5.460 2.501 492 HD2 LYS 57 2HD LYS 57 6.314 5.303 0.767 493 HD3 LYS 57 3HD LYS 57 5.062 6.276 -0.009 494 HE2 LYS 57 2HE LYS 57 7.002 7.429 -0.537 495 HE3 LYS 57 3HE LYS 57 6.416 8.292 0.884 496 HZ1 LYS 57 3HZ LYS 57 8.857 6.885 0.523 497 HZ2 LYS 57 1HZ LYS 57 8.013 6.275 1.856 498 HZ3 LYS 57 2HZ LYS 57 8.395 7.921 1.778 499 H TYR 58 HN TYR 58 2.238 4.028 2.249 500 HA TYR 58 HA TYR 58 0.948 4.578 4.829 501 HB2 TYR 58 2HB TYR 58 0.865 2.222 2.957 502 HB3 TYR 58 3HB TYR 58 0.322 2.087 4.626 503 HD1 TYR 58 1HD TYR 58 -1.157 4.445 5.183 504 HD2 TYR 58 2HD TYR 58 -0.939 2.284 1.525 505 HE1 TYR 58 1HE TYR 58 -3.364 5.322 4.540 506 HE2 TYR 58 2HE TYR 58 -3.144 3.155 0.872 507 HH TYR 58 HH TYR 58 -5.248 4.055 2.248 508 H ARG 59 HN ARG 59 1.843 3.970 6.708 509 HA ARG 59 HA ARG 59 4.448 2.619 6.585 510 HB2 ARG 59 2HB ARG 59 3.912 4.957 7.750 511 HB3 ARG 59 3HB ARG 59 3.476 3.903 9.089 512 HG2 ARG 59 2HG ARG 59 6.080 3.428 7.753 513 HG3 ARG 59 3HG ARG 59 5.922 4.854 8.782 514 HD2 ARG 59 2HD ARG 59 5.318 2.015 9.602 515 HD3 ARG 59 3HD ARG 59 6.775 2.916 10.021 516 HE ARG 59 HE ARG 59 4.543 4.385 10.859 517 HH11 ARG 59 2HH1 ARG 59 6.217 1.425 11.605 518 HH12 ARG 59 1HH1 ARG 59 5.749 1.428 13.274 519 HH21 ARG 59 2HH2 ARG 59 3.920 4.400 13.053 520 HH22 ARG 59 1HH2 ARG 59 4.442 3.120 14.096 521 H VAL 60 HN VAL 60 4.684 0.623 7.355 522 HA VAL 60 HA VAL 60 2.660 -0.421 9.220 523 HB VAL 60 HB VAL 60 3.801 -1.842 6.813 524 HG11 VAL 60 1HG1 VAL 60 1.780 -3.348 8.148 525 HG12 VAL 60 2HG1 VAL 60 3.455 -3.793 7.815 526 HG13 VAL 60 3HG1 VAL 60 3.047 -2.940 9.304 527 HG21 VAL 60 3HG2 VAL 60 1.061 -0.865 7.561 528 HG22 VAL 60 1HG2 VAL 60 2.001 -0.509 6.112 529 HG23 VAL 60 2HG2 VAL 60 1.307 -2.115 6.341 530 H GLY 61 HN GLY 61 4.332 0.180 10.802 531 HA2 GLY 61 1HA GLY 61 5.871 -0.548 12.354 532 HA3 GLY 61 2HA GLY 61 5.906 -2.091 11.514 533 H ASP 62 HN ASP 62 7.375 -2.394 9.791 534 HA ASP 62 HA ASP 62 9.471 -0.342 9.565 535 HB2 ASP 62 2HB ASP 62 10.007 -3.313 9.722 536 HB3 ASP 62 3HB ASP 62 11.200 -2.019 9.667 537 H TYR 63 HN TYR 63 7.190 -1.084 7.844 538 HA TYR 63 HA TYR 63 8.730 -1.591 5.399 539 HB2 TYR 63 2HB TYR 63 6.126 -2.932 6.149 540 HB3 TYR 63 3HB TYR 63 6.838 -2.983 4.540 541 HD1 TYR 63 1HD TYR 63 7.670 -3.767 8.094 542 HD2 TYR 63 2HD TYR 63 8.255 -4.733 3.992 543 HE1 TYR 63 1HE TYR 63 8.998 -5.730 8.752 544 HE2 TYR 63 2HE TYR 63 9.583 -6.700 4.639 545 HH TYR 63 HH TYR 63 9.880 -8.177 6.540 546 H ARG 64 HN ARG 64 8.104 -0.424 3.635 547 HA ARG 64 HA ARG 64 6.032 1.601 4.111 548 HB2 ARG 64 2HB ARG 64 8.214 1.593 2.019 549 HB3 ARG 64 3HB ARG 64 7.128 2.924 2.396 550 HG2 ARG 64 2HG ARG 64 9.079 1.765 4.368 551 HG3 ARG 64 3HG ARG 64 9.438 3.139 3.321 552 HD2 ARG 64 2HD ARG 64 6.965 3.217 4.974 553 HD3 ARG 64 3HD ARG 64 8.516 3.471 5.772 554 HE ARG 64 HE ARG 64 8.098 5.082 3.416 555 HH11 ARG 64 2HH1 ARG 64 7.717 4.849 6.869 556 HH12 ARG 64 1HH1 ARG 64 7.635 6.563 7.107 557 HH21 ARG 64 2HH2 ARG 64 7.992 7.341 3.717 558 HH22 ARG 64 1HH2 ARG 64 7.791 7.980 5.313 559 H LEU 65 HN LEU 65 4.296 1.823 2.789 560 HA LEU 65 HA LEU 65 4.132 0.083 0.426 561 HB2 LEU 65 2HB LEU 65 1.775 0.533 2.221 562 HB3 LEU 65 3HB LEU 65 1.997 -0.697 0.978 563 HG LEU 65 HG LEU 65 3.650 -0.684 3.485 564 HD11 LEU 65 1HD1 LEU 65 1.297 -0.678 4.157 565 HD12 LEU 65 2HD1 LEU 65 2.061 -2.235 4.474 566 HD13 LEU 65 3HD1 LEU 65 0.990 -2.045 3.086 567 HD21 LEU 65 3HD2 LEU 65 3.579 -3.181 2.913 568 HD22 LEU 65 1HD2 LEU 65 4.564 -2.130 1.896 569 HD23 LEU 65 2HD2 LEU 65 2.980 -2.667 1.335 570 H ILE 66 HN ILE 66 4.258 1.634 -1.113 571 HA ILE 66 HA ILE 66 2.742 4.093 -0.871 572 HB ILE 66 HB ILE 66 4.262 3.214 -3.312 573 HG12 ILE 66 2HG1 ILE 66 5.329 4.433 -0.764 574 HG13 ILE 66 3HG1 ILE 66 5.840 2.935 -1.535 575 HG21 ILE 66 1HG2 ILE 66 2.690 5.325 -3.036 576 HG22 ILE 66 2HG2 ILE 66 4.146 6.008 -2.316 577 HG23 ILE 66 3HG2 ILE 66 4.184 5.396 -3.969 578 HD11 ILE 66 3HD1 ILE 66 6.180 5.027 -3.407 579 HD12 ILE 66 1HD1 ILE 66 6.873 5.550 -1.872 580 HD13 ILE 66 2HD1 ILE 66 7.411 4.044 -2.616 581 H CYS 67 HN CYS 67 0.608 3.879 -1.184 582 HA CYS 67 HA CYS 67 -0.292 2.378 -3.554 583 HB2 CYS 67 2HB CYS 67 -1.901 2.975 -1.066 584 HB3 CYS 67 3HB CYS 67 -2.382 1.952 -2.414 585 HG CYS 67 HG CYS 67 0.260 1.241 -0.360 586 H HIS 68 HN HIS 68 -2.448 3.202 -4.405 587 HA HIS 68 HA HIS 68 -2.385 6.147 -4.450 588 HB2 HIS 68 2HB HIS 68 -1.792 4.981 -6.594 589 HB3 HIS 68 3HB HIS 68 -3.424 4.320 -6.623 590 HD2 HIS 68 2HD HIS 68 -2.389 8.090 -5.994 591 HE1 HIS 68 1HE HIS 68 -5.064 7.866 -9.279 592 HE2 HIS 68 2HE HIS 68 -3.679 9.385 -7.824 593 H ILE 69 HN ILE 69 -4.118 7.190 -3.725 594 HA ILE 69 HA ILE 69 -6.502 5.648 -3.046 595 HB ILE 69 HB ILE 69 -5.699 8.467 -2.320 596 HG12 ILE 69 2HG1 ILE 69 -5.962 6.027 -0.557 597 HG13 ILE 69 3HG1 ILE 69 -4.438 6.553 -1.264 598 HG21 ILE 69 1HG2 ILE 69 -7.904 8.774 -2.050 599 HG22 ILE 69 2HG2 ILE 69 -8.250 7.046 -2.105 600 HG23 ILE 69 3HG2 ILE 69 -7.699 7.788 -0.603 601 HD11 ILE 69 3HD1 ILE 69 -5.015 7.230 1.154 602 HD12 ILE 69 1HD1 ILE 69 -4.326 8.436 0.066 603 HD13 ILE 69 2HD1 ILE 69 -6.059 8.432 0.395 604 H GLN 70 HN GLN 70 -8.176 5.601 -4.378 605 HA GLN 70 HA GLN 70 -8.541 7.826 -6.269 606 HB2 GLN 70 2HB GLN 70 -9.119 4.893 -6.441 607 HB3 GLN 70 3HB GLN 70 -10.056 6.020 -7.414 608 HG2 GLN 70 2HG GLN 70 -7.883 6.902 -8.304 609 HG3 GLN 70 3HG GLN 70 -7.089 5.556 -7.488 610 HE21 GLN 70 1HE2 GLN 70 -6.360 4.757 -9.478 611 HE22 GLN 70 2HE2 GLN 70 -7.419 3.932 -10.565 612 H ASP 71 HN ASP 71 -9.903 9.226 -5.311 613 HA ASP 71 HA ASP 71 -11.980 8.527 -3.538 614 HB2 ASP 71 2HB ASP 71 -11.411 11.011 -5.148 615 HB3 ASP 71 3HB ASP 71 -12.817 10.885 -4.095 616 H ARG 72 HN ARG 72 -11.899 9.037 -7.022 617 HA ARG 72 HA ARG 72 -14.437 9.297 -7.810 618 HB2 ARG 72 2HB ARG 72 -12.374 7.373 -8.871 619 HB3 ARG 72 3HB ARG 72 -13.924 7.619 -9.666 620 HG2 ARG 72 2HG ARG 72 -12.103 9.918 -9.060 621 HG3 ARG 72 3HG ARG 72 -11.905 8.938 -10.514 622 HD2 ARG 72 2HD ARG 72 -14.522 10.214 -9.765 623 HD3 ARG 72 3HD ARG 72 -13.305 11.048 -10.731 624 HE ARG 72 HE ARG 72 -13.643 8.709 -12.047 625 HH11 ARG 72 2HH1 ARG 72 -15.843 11.158 -10.914 626 HH12 ARG 72 1HH1 ARG 72 -16.999 10.888 -12.176 627 HH21 ARG 72 2HH2 ARG 72 -15.157 8.345 -13.713 628 HH22 ARG 72 1HH2 ARG 72 -16.608 9.287 -13.767 629 H GLU 73 HN GLU 73 -13.066 6.090 -7.047 630 HA GLU 73 HA GLU 73 -15.796 5.201 -6.382 631 HB2 GLU 73 2HB GLU 73 -13.586 3.807 -7.852 632 HB3 GLU 73 3HB GLU 73 -14.777 2.867 -6.963 633 HG2 GLU 73 2HG GLU 73 -15.317 4.784 -9.218 634 HG3 GLU 73 3HG GLU 73 -15.418 3.025 -9.275 635 H ALA 74 HN ALA 74 -13.528 6.343 -4.743 636 HA ALA 74 HA ALA 74 -12.391 5.934 -2.795 637 HB1 ALA 74 1HB ALA 74 -13.883 5.698 -1.143 638 HB2 ALA 74 2HB ALA 74 -15.080 5.631 -2.437 639 HB3 ALA 74 3HB ALA 74 -14.446 4.139 -1.744 640 H THR 75 HN THR 75 -11.268 4.354 -4.622 641 HA THR 75 HA THR 75 -10.929 1.779 -3.228 642 HB THR 75 HB THR 75 -10.785 2.273 -6.209 643 HG1 THR 75 1HG THR 75 -12.617 0.953 -6.254 644 HG21 THR 75 3HG2 THR 75 -10.752 -0.443 -5.819 645 HG22 THR 75 1HG2 THR 75 -9.718 0.140 -4.515 646 HG23 THR 75 2HG2 THR 75 -9.343 0.551 -6.189 647 H VAL 76 HN VAL 76 -8.907 1.253 -2.654 648 HA VAL 76 HA VAL 76 -6.747 3.067 -3.465 649 HB VAL 76 HB VAL 76 -6.750 1.069 -1.201 650 HG11 VAL 76 1HG1 VAL 76 -4.961 3.408 -1.183 651 HG12 VAL 76 2HG1 VAL 76 -4.658 1.741 -0.690 652 HG13 VAL 76 3HG1 VAL 76 -4.603 2.181 -2.397 653 HG21 VAL 76 3HG2 VAL 76 -8.003 2.494 -0.046 654 HG22 VAL 76 1HG2 VAL 76 -6.744 3.715 -0.232 655 HG23 VAL 76 2HG2 VAL 76 -8.049 3.607 -1.413 656 H LEU 77 HN LEU 77 -5.277 2.407 -4.879 657 HA LEU 77 HA LEU 77 -4.917 -0.489 -5.282 658 HB2 LEU 77 2HB LEU 77 -5.836 0.324 -7.266 659 HB3 LEU 77 3HB LEU 77 -4.893 1.812 -7.199 660 HG LEU 77 HG LEU 77 -2.871 0.161 -7.533 661 HD11 LEU 77 1HD1 LEU 77 -3.315 -1.823 -8.657 662 HD12 LEU 77 2HD1 LEU 77 -4.969 -1.351 -9.044 663 HD13 LEU 77 3HD1 LEU 77 -4.542 -1.793 -7.391 664 HD21 LEU 77 3HD2 LEU 77 -2.877 0.705 -9.814 665 HD22 LEU 77 1HD2 LEU 77 -3.789 2.002 -9.042 666 HD23 LEU 77 2HD2 LEU 77 -4.639 0.715 -9.897 667 H VAL 78 HN VAL 78 -3.066 -1.172 -4.446 668 HA VAL 78 HA VAL 78 -0.945 0.420 -3.607 669 HB VAL 78 HB VAL 78 -0.721 -2.469 -4.455 670 HG11 VAL 78 1HG1 VAL 78 0.898 -2.281 -2.365 671 HG12 VAL 78 2HG1 VAL 78 1.437 -1.890 -4.000 672 HG13 VAL 78 3HG1 VAL 78 0.973 -0.599 -2.890 673 HG21 VAL 78 3HG2 VAL 78 -2.069 -3.043 -2.786 674 HG22 VAL 78 1HG2 VAL 78 -1.052 -2.166 -1.644 675 HG23 VAL 78 2HG2 VAL 78 -2.379 -1.338 -2.458 676 H LEU 79 HN LEU 79 1.262 0.508 -4.417 677 HA LEU 79 HA LEU 79 1.461 0.249 -7.340 678 HB2 LEU 79 2HB LEU 79 2.314 2.589 -5.647 679 HB3 LEU 79 3HB LEU 79 2.821 2.353 -7.318 680 HG LEU 79 HG LEU 79 -0.089 2.491 -6.621 681 HD11 LEU 79 1HD1 LEU 79 1.876 4.653 -6.453 682 HD12 LEU 79 2HD1 LEU 79 0.238 4.550 -5.807 683 HD13 LEU 79 3HD1 LEU 79 0.494 5.004 -7.492 684 HD21 LEU 79 3HD2 LEU 79 -0.237 3.341 -8.917 685 HD22 LEU 79 1HD2 LEU 79 0.523 1.751 -8.853 686 HD23 LEU 79 2HD2 LEU 79 1.514 3.193 -9.079 687 H ARG 80 HN ARG 80 3.321 0.825 -4.358 688 HA ARG 80 HA ARG 80 5.300 -1.119 -5.299 689 HB2 ARG 80 2HB ARG 80 6.253 1.021 -5.895 690 HB3 ARG 80 3HB ARG 80 5.929 1.658 -4.289 691 HG2 ARG 80 2HG ARG 80 8.257 1.146 -4.462 692 HG3 ARG 80 3HG ARG 80 7.507 -0.011 -3.361 693 HD2 ARG 80 2HD ARG 80 8.774 -1.420 -4.650 694 HD3 ARG 80 3HD ARG 80 7.255 -1.442 -5.545 695 HE ARG 80 HE ARG 80 9.755 -0.221 -6.372 696 HH11 ARG 80 2HH1 ARG 80 6.335 -0.578 -6.915 697 HH12 ARG 80 1HH1 ARG 80 6.409 -0.053 -8.564 698 HH21 ARG 80 2HH2 ARG 80 9.866 0.471 -8.543 699 HH22 ARG 80 1HH2 ARG 80 8.419 0.542 -9.489 700 H VAL 81 HN VAL 81 6.078 -2.433 -3.736 701 HA VAL 81 HA VAL 81 5.452 -1.767 -0.938 702 HB VAL 81 HB VAL 81 5.013 -4.411 -2.322 703 HG11 VAL 81 1HG1 VAL 81 5.676 -3.843 0.450 704 HG12 VAL 81 2HG1 VAL 81 4.144 -4.701 0.278 705 HG13 VAL 81 3HG1 VAL 81 5.620 -5.383 -0.407 706 HG21 VAL 81 3HG2 VAL 81 3.171 -2.545 -0.830 707 HG22 VAL 81 1HG2 VAL 81 3.176 -2.863 -2.565 708 HG23 VAL 81 2HG2 VAL 81 2.718 -4.138 -1.436 709 H GLY 82 HN GLY 82 7.296 -1.593 0.146 710 HA2 GLY 82 1HA GLY 82 9.254 -3.715 0.040 711 HA3 GLY 82 2HA GLY 82 9.825 -2.187 -0.612 712 H HIS 83 HN HIS 83 10.915 -3.526 1.647 713 HA HIS 83 HA HIS 83 9.979 -2.453 4.087 714 HB2 HIS 83 2HB HIS 83 11.448 -4.428 3.959 715 HB3 HIS 83 3HB HIS 83 12.760 -3.409 3.375 716 HD2 HIS 83 2HD HIS 83 11.251 -4.598 6.675 717 HE1 HIS 83 1HE HIS 83 14.002 -1.509 7.616 718 HE2 HIS 83 2HE HIS 83 12.621 -3.411 8.520 719 H ALA 84 HN ALA 84 10.493 -0.626 5.197 720 HA ALA 84 HA ALA 84 11.040 1.731 3.981 721 HB1 ALA 84 1HB ALA 84 12.292 1.891 6.522 722 HB2 ALA 84 2HB ALA 84 10.691 2.457 6.046 723 HB3 ALA 84 3HB ALA 84 10.899 0.819 6.664 724 H ARG 85 HN ARG 85 13.553 0.181 5.979 725 HA ARG 85 HA ARG 85 15.737 1.572 5.330 726 HB2 ARG 85 2HB ARG 85 16.179 -0.188 6.762 727 HB3 ARG 85 3HB ARG 85 15.356 -1.361 5.743 728 HG2 ARG 85 2HG ARG 85 17.179 -1.654 4.371 729 HG3 ARG 85 3HG ARG 85 17.866 -0.078 4.772 730 HD2 ARG 85 2HD ARG 85 18.318 -0.929 7.065 731 HD3 ARG 85 3HD ARG 85 17.763 -2.518 6.541 732 HE ARG 85 HE ARG 85 19.768 -2.829 5.485 733 HH11 ARG 85 2HH1 ARG 85 19.377 0.554 6.210 734 HH12 ARG 85 1HH1 ARG 85 20.989 0.976 5.736 735 HH21 ARG 85 2HH2 ARG 85 21.893 -2.286 4.858 736 HH22 ARG 85 1HH2 ARG 85 22.419 -0.640 4.966 737 H ASP 86 HN ASP 86 14.249 -0.862 3.245 738 HA ASP 86 HA ASP 86 16.233 -0.616 1.189 739 HB2 ASP 86 2HB ASP 86 13.535 -1.954 1.324 740 HB3 ASP 86 3HB ASP 86 14.482 -1.911 -0.161 741 H VAL 87 HN VAL 87 12.729 -0.009 0.968 742 HA VAL 87 HA VAL 87 12.694 1.503 -1.304 743 HB VAL 87 HB VAL 87 10.979 1.933 1.146 744 HG11 VAL 87 1HG1 VAL 87 9.399 2.634 -0.901 745 HG12 VAL 87 2HG1 VAL 87 10.397 3.788 -0.014 746 HG13 VAL 87 3HG1 VAL 87 10.959 3.134 -1.553 747 HG21 VAL 87 3HG2 VAL 87 9.410 0.619 -0.590 748 HG22 VAL 87 1HG2 VAL 87 10.978 -0.049 -1.044 749 HG23 VAL 87 2HG2 VAL 87 10.405 -0.193 0.618 750 H TYR 88 HN TYR 88 12.770 3.707 -1.804 751 HA TYR 88 HA TYR 88 14.774 5.196 -0.516 752 HB2 TYR 88 2HB TYR 88 14.543 5.851 -2.704 753 HB3 TYR 88 3HB TYR 88 12.787 5.728 -2.670 754 HD1 TYR 88 1HD TYR 88 11.423 7.585 -1.898 755 HD2 TYR 88 2HD TYR 88 15.667 7.879 -1.978 756 HE1 TYR 88 1HE TYR 88 11.254 10.023 -1.626 757 HE2 TYR 88 2HE TYR 88 15.509 10.318 -1.705 758 HH TYR 88 HH TYR 88 13.716 12.116 -2.235 759 H ARG 89 HN ARG 89 14.730 6.856 0.934 760 HA ARG 89 HA ARG 89 12.307 7.109 2.519 761 HB2 ARG 89 2HB ARG 89 14.431 6.774 3.678 762 HB3 ARG 89 3HB ARG 89 15.084 8.229 2.937 763 HG2 ARG 89 2HG ARG 89 13.427 9.579 4.123 764 HG3 ARG 89 3HG ARG 89 12.776 8.117 4.868 765 HD2 ARG 89 2HD ARG 89 14.992 7.700 5.886 766 HD3 ARG 89 3HD ARG 89 15.560 9.226 5.207 767 HE ARG 89 HE ARG 89 13.971 8.878 7.550 768 HH11 ARG 89 2HH1 ARG 89 14.600 11.028 4.885 769 HH12 ARG 89 1HH1 ARG 89 14.085 12.446 5.737 770 HH21 ARG 89 2HH2 ARG 89 13.290 10.737 8.682 771 HH22 ARG 89 1HH2 ARG 89 13.341 12.279 7.897 Start of MODEL 16 1 H1 MET 1 HN MET 1 -17.491 0.228 7.439 2 HA MET 1 HA MET 1 -15.467 -0.384 5.475 3 HB2 MET 1 2HB MET 1 -17.423 -0.628 3.937 4 HB3 MET 1 3HB MET 1 -17.506 -1.645 5.370 5 HG2 MET 1 2HG MET 1 -19.056 -0.089 6.407 6 HG3 MET 1 3HG MET 1 -18.946 0.972 5.004 7 HE1 MET 1 3HE MET 1 -22.317 -1.587 5.551 8 HE2 MET 1 1HE MET 1 -20.995 -1.589 6.719 9 HE3 MET 1 2HE MET 1 -21.708 -0.063 6.196 10 H GLY 2 HN GLY 2 -14.751 0.891 3.839 11 HA2 GLY 2 1HA GLY 2 -16.075 3.430 3.292 12 HA3 GLY 2 2HA GLY 2 -14.442 3.527 3.934 13 H TYR 3 HN TYR 3 -12.724 2.480 2.700 14 HA TYR 3 HA TYR 3 -13.272 2.665 -0.179 15 HB2 TYR 3 2HB TYR 3 -10.811 3.101 1.482 16 HB3 TYR 3 3HB TYR 3 -10.669 2.748 -0.237 17 HD1 TYR 3 2HD TYR 3 -12.631 5.011 2.007 18 HD2 TYR 3 1HD TYR 3 -10.522 4.552 -1.660 19 HE1 TYR 3 2HE TYR 3 -13.020 7.384 1.493 20 HE2 TYR 3 1HE TYR 3 -10.903 6.925 -2.183 21 HH TYR 3 HH TYR 3 -11.641 9.170 -0.105 22 H ARG 4 HN ARG 4 -11.874 1.221 -1.567 23 HA ARG 4 HA ARG 4 -12.006 -1.500 -0.487 24 HB2 ARG 4 2HB ARG 4 -13.268 -1.228 -2.504 25 HB3 ARG 4 3HB ARG 4 -11.918 -0.442 -3.311 26 HG2 ARG 4 2HG ARG 4 -10.817 -2.409 -3.693 27 HG3 ARG 4 3HG ARG 4 -11.555 -3.217 -2.309 28 HD2 ARG 4 2HD ARG 4 -12.971 -2.481 -4.869 29 HD3 ARG 4 3HD ARG 4 -12.383 -4.091 -4.454 30 HE ARG 4 HE ARG 4 -14.115 -3.116 -2.439 31 HH11 ARG 4 2HH1 ARG 4 -14.119 -4.402 -5.674 32 HH12 ARG 4 1HH1 ARG 4 -15.717 -5.060 -5.550 33 HH21 ARG 4 2HH2 ARG 4 -16.220 -3.977 -2.264 34 HH22 ARG 4 1HH2 ARG 4 -16.911 -4.816 -3.610 35 H ILE 5 HN ILE 5 -10.282 -2.942 -0.658 36 HA ILE 5 HA ILE 5 -7.662 -1.649 -0.874 37 HB ILE 5 HB ILE 5 -8.238 -4.412 0.185 38 HG12 ILE 5 2HG1 ILE 5 -9.494 -2.737 1.484 39 HG13 ILE 5 3HG1 ILE 5 -8.184 -3.437 2.430 40 HG21 ILE 5 1HG2 ILE 5 -6.043 -4.581 0.482 41 HG22 ILE 5 2HG2 ILE 5 -5.858 -3.085 -0.433 42 HG23 ILE 5 3HG2 ILE 5 -5.986 -3.034 1.325 43 HD11 ILE 5 3HD1 ILE 5 -7.944 -0.814 0.988 44 HD12 ILE 5 1HD1 ILE 5 -8.502 -0.960 2.654 45 HD13 ILE 5 2HD1 ILE 5 -6.874 -1.482 2.220 46 H GLU 6 HN GLU 6 -6.813 -1.739 -2.851 47 HA GLU 6 HA GLU 6 -6.981 -4.291 -4.316 48 HB2 GLU 6 2HB GLU 6 -7.109 -1.458 -5.313 49 HB3 GLU 6 3HB GLU 6 -6.621 -2.772 -6.375 50 HG2 GLU 6 2HG GLU 6 -8.855 -3.851 -5.456 51 HG3 GLU 6 3HG GLU 6 -9.273 -2.156 -5.207 52 H PHE 7 HN PHE 7 -5.156 -4.756 -5.736 53 HA PHE 7 HA PHE 7 -2.666 -3.393 -4.998 54 HB2 PHE 7 2HB PHE 7 -3.286 -6.316 -4.709 55 HB3 PHE 7 3HB PHE 7 -1.634 -5.786 -5.010 56 HD1 PHE 7 1HD PHE 7 -4.506 -5.184 -2.722 57 HD2 PHE 7 2HD PHE 7 -0.281 -5.210 -3.231 58 HE1 PHE 7 1HE PHE 7 -4.217 -4.743 -0.318 59 HE2 PHE 7 2HE PHE 7 0.015 -4.770 -0.828 60 HZ PHE 7 HZ PHE 7 -1.955 -4.537 0.631 61 H ASP 8 HN ASP 8 -1.209 -3.184 -6.623 62 HA ASP 8 HA ASP 8 -2.100 -3.625 -9.291 63 HB2 ASP 8 2HB ASP 8 0.314 -2.462 -8.000 64 HB3 ASP 8 3HB ASP 8 0.476 -3.001 -9.669 65 HA PRO 9 HA PRO 9 -0.445 -7.557 -10.303 66 HB2 PRO 9 2HB PRO 9 0.552 -7.164 -12.798 67 HB3 PRO 9 3HB PRO 9 -1.181 -7.215 -12.453 68 HG2 PRO 9 2HG PRO 9 0.606 -4.843 -12.828 69 HG3 PRO 9 3HG PRO 9 -1.029 -5.122 -13.454 70 HD2 PRO 9 2HD PRO 9 -0.545 -3.578 -11.283 71 HD3 PRO 9 3HD PRO 9 -2.028 -4.537 -11.462 72 H ARG 10 HN ARG 10 1.613 -4.859 -10.028 73 HA ARG 10 HA ARG 10 4.043 -6.438 -10.413 74 HB2 ARG 10 2HB ARG 10 3.420 -3.528 -10.259 75 HB3 ARG 10 3HB ARG 10 5.023 -4.053 -9.761 76 HG2 ARG 10 2HG ARG 10 3.917 -4.951 -12.383 77 HG3 ARG 10 3HG ARG 10 4.597 -3.331 -12.215 78 HD2 ARG 10 2HD ARG 10 6.675 -4.365 -11.319 79 HD3 ARG 10 3HD ARG 10 5.987 -5.950 -11.670 80 HE ARG 10 HE ARG 10 6.090 -4.146 -13.923 81 HH11 ARG 10 2HH1 ARG 10 7.731 -6.628 -12.116 82 HH12 ARG 10 1HH1 ARG 10 8.747 -7.101 -13.438 83 HH21 ARG 10 2HH2 ARG 10 7.422 -4.758 -15.670 84 HH22 ARG 10 1HH2 ARG 10 8.571 -6.036 -15.459 85 H ALA 11 HN ALA 11 2.554 -4.357 -7.936 86 HA ALA 11 HA ALA 11 4.414 -4.885 -5.903 87 HB1 ALA 11 1HB ALA 11 1.736 -4.432 -4.891 88 HB2 ALA 11 2HB ALA 11 3.182 -3.432 -4.749 89 HB3 ALA 11 3HB ALA 11 2.159 -3.303 -6.179 90 H GLU 12 HN GLU 12 1.399 -6.507 -6.792 91 HA GLU 12 HA GLU 12 0.932 -8.177 -4.712 92 HB2 GLU 12 2HB GLU 12 -0.075 -8.036 -7.172 93 HB3 GLU 12 3HB GLU 12 0.943 -9.450 -7.404 94 HG2 GLU 12 2HG GLU 12 -0.868 -9.361 -5.047 95 HG3 GLU 12 3HG GLU 12 -1.552 -9.679 -6.641 96 H LYS 13 HN LYS 13 3.258 -8.821 -7.328 97 HA LYS 13 HA LYS 13 4.245 -11.213 -6.117 98 HB2 LYS 13 2HB LYS 13 5.295 -9.485 -8.360 99 HB3 LYS 13 3HB LYS 13 6.071 -10.978 -7.848 100 HG2 LYS 13 2HG LYS 13 3.184 -10.962 -8.624 101 HG3 LYS 13 3HG LYS 13 4.450 -11.020 -9.853 102 HD2 LYS 13 2HD LYS 13 4.376 -12.939 -7.540 103 HD3 LYS 13 3HD LYS 13 3.505 -13.248 -9.044 104 HE2 LYS 13 2HE LYS 13 6.397 -12.523 -9.151 105 HE3 LYS 13 3HE LYS 13 5.938 -14.161 -8.688 106 HZ1 LYS 13 3HZ LYS 13 6.344 -13.922 -11.083 107 HZ2 LYS 13 1HZ LYS 13 5.076 -12.808 -11.187 108 HZ3 LYS 13 2HZ LYS 13 4.759 -14.411 -10.752 109 H GLU 14 HN GLU 14 5.373 -7.863 -6.298 110 HA GLU 14 HA GLU 14 7.869 -8.189 -5.101 111 HB2 GLU 14 2HB GLU 14 5.991 -5.827 -4.903 112 HB3 GLU 14 3HB GLU 14 7.705 -5.799 -4.510 113 HG2 GLU 14 2HG GLU 14 6.783 -6.635 -7.227 114 HG3 GLU 14 3HG GLU 14 6.921 -4.929 -6.805 115 H LEU 15 HN LEU 15 4.676 -8.083 -3.706 116 HA LEU 15 HA LEU 15 5.715 -7.893 -0.995 117 HB2 LEU 15 2HB LEU 15 3.734 -6.658 -1.364 118 HB3 LEU 15 3HB LEU 15 2.947 -8.021 -2.157 119 HG LEU 15 HG LEU 15 3.714 -8.323 0.701 120 HD11 LEU 15 1HD1 LEU 15 2.535 -6.579 1.397 121 HD12 LEU 15 2HD1 LEU 15 1.099 -7.327 0.699 122 HD13 LEU 15 3HD1 LEU 15 2.050 -6.186 -0.252 123 HD21 LEU 15 3HD2 LEU 15 1.222 -9.137 -0.779 124 HD22 LEU 15 1HD2 LEU 15 1.815 -9.745 0.767 125 HD23 LEU 15 2HD2 LEU 15 2.683 -10.124 -0.721 126 H GLU 16 HN GLU 16 4.360 -10.262 -3.187 127 HA GLU 16 HA GLU 16 3.815 -12.300 -1.331 128 HB2 GLU 16 2HB GLU 16 4.272 -12.171 -4.269 129 HB3 GLU 16 3HB GLU 16 4.381 -13.748 -3.499 130 HG2 GLU 16 2HG GLU 16 2.107 -13.243 -2.490 131 HG3 GLU 16 3HG GLU 16 2.023 -11.901 -3.630 132 H LYS 17 HN LYS 17 6.750 -11.458 -3.103 133 HA LYS 17 HA LYS 17 8.294 -13.693 -2.421 134 HB2 LYS 17 2HB LYS 17 10.208 -12.389 -3.056 135 HB3 LYS 17 3HB LYS 17 8.886 -11.982 -4.143 136 HG2 LYS 17 2HG LYS 17 9.646 -9.894 -3.693 137 HG3 LYS 17 3HG LYS 17 8.498 -10.063 -2.363 138 HD2 LYS 17 2HD LYS 17 10.387 -9.288 -1.276 139 HD3 LYS 17 3HD LYS 17 10.540 -11.036 -1.077 140 HE2 LYS 17 2HE LYS 17 12.673 -10.299 -1.737 141 HE3 LYS 17 3HE LYS 17 11.955 -10.997 -3.188 142 HZ1 LYS 17 3HZ LYS 17 12.840 -9.018 -3.939 143 HZ2 LYS 17 1HZ LYS 17 12.427 -8.162 -2.540 144 HZ3 LYS 17 2HZ LYS 17 11.229 -8.589 -3.654 145 H LEU 18 HN LEU 18 7.657 -10.693 -0.694 146 HA LEU 18 HA LEU 18 9.581 -10.801 1.284 147 HB2 LEU 18 2HB LEU 18 6.734 -9.845 1.345 148 HB3 LEU 18 3HB LEU 18 7.815 -9.670 2.726 149 HG LEU 18 HG LEU 18 8.381 -8.503 0.006 150 HD11 LEU 18 1HD1 LEU 18 6.325 -7.710 1.603 151 HD12 LEU 18 2HD1 LEU 18 7.193 -6.666 0.478 152 HD13 LEU 18 3HD1 LEU 18 7.642 -6.691 2.183 153 HD21 LEU 18 3HD2 LEU 18 10.088 -7.270 1.089 154 HD22 LEU 18 1HD2 LEU 18 10.278 -8.944 1.610 155 HD23 LEU 18 2HD2 LEU 18 9.531 -7.766 2.688 156 H ASP 19 HN ASP 19 9.038 -11.232 3.682 157 HA ASP 19 HA ASP 19 8.740 -13.989 4.044 158 HB2 ASP 19 2HB ASP 19 9.737 -12.082 5.591 159 HB3 ASP 19 3HB ASP 19 8.126 -12.134 6.302 160 H ARG 20 HN ARG 20 7.066 -15.284 4.688 161 HA ARG 20 HA ARG 20 4.481 -14.664 3.880 162 HB2 ARG 20 2HB ARG 20 5.324 -16.713 5.939 163 HB3 ARG 20 3HB ARG 20 3.787 -16.687 5.084 164 HG2 ARG 20 2HG ARG 20 6.366 -16.819 3.576 165 HG3 ARG 20 3HG ARG 20 5.646 -18.272 4.273 166 HD2 ARG 20 2HD ARG 20 3.573 -17.818 3.035 167 HD3 ARG 20 3HD ARG 20 4.324 -16.392 2.320 168 HE ARG 20 HE ARG 20 6.027 -18.384 1.656 169 HH11 ARG 20 2HH1 ARG 20 2.588 -17.965 1.315 170 HH12 ARG 20 1HH1 ARG 20 2.482 -18.922 -0.125 171 HH21 ARG 20 2HH2 ARG 20 5.901 -19.647 -0.239 172 HH22 ARG 20 1HH2 ARG 20 4.367 -19.880 -1.007 173 H GLU 21 HN GLU 21 5.884 -14.611 7.142 174 HA GLU 21 HA GLU 21 3.564 -13.925 8.541 175 HB2 GLU 21 2HB GLU 21 5.976 -14.583 9.359 176 HB3 GLU 21 3HB GLU 21 6.221 -12.842 9.388 177 HG2 GLU 21 2HG GLU 21 4.091 -14.354 10.883 178 HG3 GLU 21 3HG GLU 21 5.567 -13.678 11.571 179 H VAL 22 HN VAL 22 6.130 -11.812 7.263 180 HA VAL 22 HA VAL 22 5.013 -9.373 8.038 181 HB VAL 22 HB VAL 22 6.732 -9.957 5.622 182 HG11 VAL 22 1HG1 VAL 22 7.365 -7.470 6.102 183 HG12 VAL 22 2HG1 VAL 22 5.922 -7.849 5.159 184 HG13 VAL 22 3HG1 VAL 22 5.776 -7.415 6.863 185 HG21 VAL 22 3HG2 VAL 22 8.116 -8.635 7.726 186 HG22 VAL 22 1HG2 VAL 22 7.300 -10.047 8.397 187 HG23 VAL 22 2HG2 VAL 22 8.415 -10.234 7.044 188 H ALA 23 HN ALA 23 4.798 -11.006 4.875 189 HA ALA 23 HA ALA 23 3.203 -9.250 3.514 190 HB1 ALA 23 1HB ALA 23 2.495 -12.109 3.214 191 HB2 ALA 23 2HB ALA 23 2.895 -10.902 1.990 192 HB3 ALA 23 3HB ALA 23 4.178 -11.662 2.931 193 H ARG 24 HN ARG 24 2.125 -11.806 5.735 194 HA ARG 24 HA ARG 24 -0.635 -11.367 5.428 195 HB2 ARG 24 2HB ARG 24 0.119 -13.406 6.431 196 HB3 ARG 24 3HB ARG 24 0.968 -12.536 7.702 197 HG2 ARG 24 2HG ARG 24 -1.467 -11.627 8.201 198 HG3 ARG 24 3HG ARG 24 -1.918 -13.142 7.415 199 HD2 ARG 24 2HD ARG 24 -0.654 -14.415 9.002 200 HD3 ARG 24 3HD ARG 24 0.037 -12.950 9.699 201 HE ARG 24 HE ARG 24 -2.840 -13.092 9.827 202 HH11 ARG 24 2HH1 ARG 24 0.164 -13.861 11.409 203 HH12 ARG 24 1HH1 ARG 24 -0.540 -13.949 12.990 204 HH21 ARG 24 2HH2 ARG 24 -3.779 -13.206 11.903 205 HH22 ARG 24 1HH2 ARG 24 -2.783 -13.577 13.269 206 H ARG 25 HN ARG 25 1.664 -10.136 7.845 207 HA ARG 25 HA ARG 25 -0.105 -8.689 9.416 208 HB2 ARG 25 2HB ARG 25 2.117 -8.952 10.197 209 HB3 ARG 25 3HB ARG 25 2.795 -8.240 8.739 210 HG2 ARG 25 2HG ARG 25 2.290 -6.085 9.395 211 HG3 ARG 25 3HG ARG 25 1.029 -6.612 10.511 212 HD2 ARG 25 2HD ARG 25 2.664 -7.461 12.048 213 HD3 ARG 25 3HD ARG 25 3.966 -7.163 10.897 214 HE ARG 25 HE ARG 25 2.952 -4.706 11.234 215 HH11 ARG 25 2HH1 ARG 25 3.876 -7.168 13.516 216 HH12 ARG 25 1HH1 ARG 25 4.316 -6.039 14.754 217 HH21 ARG 25 2HH2 ARG 25 3.528 -3.210 12.856 218 HH22 ARG 25 1HH2 ARG 25 4.117 -3.788 14.378 219 H ILE 26 HN ILE 26 1.588 -7.708 6.463 220 HA ILE 26 HA ILE 26 0.765 -5.026 6.435 221 HB ILE 26 HB ILE 26 1.365 -6.809 4.071 222 HG12 ILE 26 2HG1 ILE 26 3.220 -4.860 5.436 223 HG13 ILE 26 3HG1 ILE 26 3.150 -6.563 5.875 224 HG21 ILE 26 1HG2 ILE 26 0.140 -4.500 3.822 225 HG22 ILE 26 2HG2 ILE 26 1.764 -3.859 4.063 226 HG23 ILE 26 3HG2 ILE 26 1.440 -4.958 2.722 227 HD11 ILE 26 3HD1 ILE 26 4.932 -5.737 4.194 228 HD12 ILE 26 1HD1 ILE 26 4.077 -7.247 3.883 229 HD13 ILE 26 2HD1 ILE 26 3.603 -5.775 3.035 230 H LEU 27 HN LEU 27 -0.506 -7.648 4.372 231 HA LEU 27 HA LEU 27 -2.731 -6.309 3.423 232 HB2 LEU 27 2HB LEU 27 -2.132 -9.206 3.866 233 HB3 LEU 27 3HB LEU 27 -3.717 -8.705 3.281 234 HG LEU 27 HG LEU 27 -1.201 -7.891 1.861 235 HD11 LEU 27 1HD1 LEU 27 -2.779 -10.424 1.434 236 HD12 LEU 27 2HD1 LEU 27 -1.131 -10.317 2.053 237 HD13 LEU 27 3HD1 LEU 27 -1.485 -9.825 0.396 238 HD21 LEU 27 3HD2 LEU 27 -2.763 -6.737 0.749 239 HD22 LEU 27 1HD2 LEU 27 -4.085 -7.685 1.430 240 HD23 LEU 27 2HD2 LEU 27 -3.195 -8.291 0.034 241 H ARG 28 HN ARG 28 -2.292 -8.043 6.445 242 HA ARG 28 HA ARG 28 -5.031 -8.036 7.209 243 HB2 ARG 28 2HB ARG 28 -3.377 -9.595 8.164 244 HB3 ARG 28 3HB ARG 28 -2.558 -8.243 8.935 245 HG2 ARG 28 2HG ARG 28 -4.253 -7.925 10.477 246 HG3 ARG 28 3HG ARG 28 -5.447 -8.767 9.488 247 HD2 ARG 28 2HD ARG 28 -3.966 -10.842 9.858 248 HD3 ARG 28 3HD ARG 28 -3.243 -9.911 11.169 249 HE ARG 28 HE ARG 28 -5.821 -11.158 11.155 250 HH11 ARG 28 2HH1 ARG 28 -3.947 -8.537 12.475 251 HH12 ARG 28 1HH1 ARG 28 -4.913 -8.395 13.906 252 HH21 ARG 28 2HH2 ARG 28 -7.100 -10.981 13.035 253 HH22 ARG 28 1HH2 ARG 28 -6.706 -9.786 14.224 254 H PHE 29 HN PHE 29 -2.433 -5.739 7.454 255 HA PHE 29 HA PHE 29 -3.718 -4.095 9.431 256 HB2 PHE 29 2HB PHE 29 -1.370 -3.934 9.435 257 HB3 PHE 29 3HB PHE 29 -1.291 -3.767 7.684 258 HD1 PHE 29 1HD PHE 29 -2.015 -2.046 10.840 259 HD2 PHE 29 2HD PHE 29 -1.597 -1.643 6.623 260 HE1 PHE 29 1HE PHE 29 -1.951 0.402 11.083 261 HE2 PHE 29 2HE PHE 29 -1.530 0.805 6.860 262 HZ PHE 29 HZ PHE 29 -1.707 1.830 9.092 263 H LEU 30 HN LEU 30 -3.504 -4.185 5.932 264 HA LEU 30 HA LEU 30 -4.853 -1.642 5.623 265 HB2 LEU 30 2HB LEU 30 -3.903 -3.733 3.682 266 HB3 LEU 30 3HB LEU 30 -4.821 -2.315 3.177 267 HG LEU 30 HG LEU 30 -2.338 -1.884 4.757 268 HD11 LEU 30 1HD1 LEU 30 -1.027 -2.956 3.325 269 HD12 LEU 30 2HD1 LEU 30 -1.558 -1.833 2.074 270 HD13 LEU 30 3HD1 LEU 30 -2.398 -3.368 2.295 271 HD21 LEU 30 3HD2 LEU 30 -3.126 0.163 4.259 272 HD22 LEU 30 1HD2 LEU 30 -4.084 -0.421 2.897 273 HD23 LEU 30 2HD2 LEU 30 -2.356 -0.127 2.698 274 H ARG 31 HN ARG 31 -5.617 -5.061 5.453 275 HA ARG 31 HA ARG 31 -8.244 -4.664 4.367 276 HB2 ARG 31 2HB ARG 31 -8.466 -6.974 4.413 277 HB3 ARG 31 3HB ARG 31 -6.728 -6.773 4.246 278 HG2 ARG 31 2HG ARG 31 -6.651 -6.954 6.798 279 HG3 ARG 31 3HG ARG 31 -8.297 -7.578 6.665 280 HD2 ARG 31 2HD ARG 31 -7.475 -9.320 5.122 281 HD3 ARG 31 3HD ARG 31 -5.834 -8.716 5.346 282 HE ARG 31 HE ARG 31 -7.053 -9.356 7.833 283 HH11 ARG 31 2HH1 ARG 31 -5.531 -10.769 5.040 284 HH12 ARG 31 1HH1 ARG 31 -4.982 -12.177 5.888 285 HH21 ARG 31 2HH2 ARG 31 -6.337 -11.204 8.962 286 HH22 ARG 31 1HH2 ARG 31 -5.442 -12.424 8.119 287 H GLU 32 HN GLU 32 -6.874 -4.292 7.426 288 HA GLU 32 HA GLU 32 -9.484 -4.619 8.747 289 HB2 GLU 32 2HB GLU 32 -6.674 -4.703 9.840 290 HB3 GLU 32 3HB GLU 32 -8.091 -4.583 10.873 291 HG2 GLU 32 2HG GLU 32 -7.543 -6.814 8.929 292 HG3 GLU 32 3HG GLU 32 -7.263 -6.880 10.668 293 H ARG 33 HN ARG 33 -6.581 -2.657 9.393 294 HA ARG 33 HA ARG 33 -7.871 -0.541 10.619 295 HB2 ARG 33 2HB ARG 33 -5.385 -0.344 8.910 296 HB3 ARG 33 3HB ARG 33 -5.873 0.767 10.183 297 HG2 ARG 33 2HG ARG 33 -5.306 -2.137 10.698 298 HG3 ARG 33 3HG ARG 33 -4.061 -0.887 10.767 299 HD2 ARG 33 2HD ARG 33 -6.592 -0.948 12.408 300 HD3 ARG 33 3HD ARG 33 -4.984 -1.385 12.983 301 HE ARG 33 HE ARG 33 -5.059 1.253 11.898 302 HH11 ARG 33 2HH1 ARG 33 -5.792 -0.643 14.724 303 HH12 ARG 33 1HH1 ARG 33 -5.635 0.690 15.820 304 HH21 ARG 33 2HH2 ARG 33 -4.848 3.016 13.330 305 HH22 ARG 33 1HH2 ARG 33 -5.099 2.771 15.026 306 H VAL 34 HN VAL 34 -6.472 -0.228 7.361 307 HA VAL 34 HA VAL 34 -7.869 2.020 6.590 308 HB VAL 34 HB VAL 34 -7.034 -0.235 4.760 309 HG11 VAL 34 1HG1 VAL 34 -7.166 2.674 4.052 310 HG12 VAL 34 2HG1 VAL 34 -7.145 1.268 2.985 311 HG13 VAL 34 3HG1 VAL 34 -8.590 1.642 3.926 312 HG21 VAL 34 3HG2 VAL 34 -5.234 1.995 4.796 313 HG22 VAL 34 1HG2 VAL 34 -5.445 1.372 6.433 314 HG23 VAL 34 2HG2 VAL 34 -4.910 0.296 5.142 315 H ALA 35 HN ALA 35 -8.916 -1.309 6.628 316 HA ALA 35 HA ALA 35 -11.173 -1.043 4.948 317 HB1 ALA 35 1HB ALA 35 -11.885 -3.161 5.827 318 HB2 ALA 35 2HB ALA 35 -10.136 -3.203 5.600 319 HB3 ALA 35 3HB ALA 35 -10.811 -2.995 7.216 320 H THR 36 HN THR 36 -10.861 -0.967 8.495 321 HA THR 36 HA THR 36 -13.626 -0.199 8.822 322 HB THR 36 HB THR 36 -12.557 -1.641 10.496 323 HG1 THR 36 1HG THR 36 -13.018 -0.027 12.346 324 HG21 THR 36 3HG2 THR 36 -10.382 -1.148 10.871 325 HG22 THR 36 1HG2 THR 36 -11.043 -0.092 12.118 326 HG23 THR 36 2HG2 THR 36 -10.606 0.570 10.543 327 H LEU 37 HN LEU 37 -10.666 1.397 8.296 328 HA LEU 37 HA LEU 37 -11.243 3.828 9.675 329 HB2 LEU 37 2HB LEU 37 -9.276 3.049 7.548 330 HB3 LEU 37 3HB LEU 37 -9.433 4.719 8.088 331 HG LEU 37 HG LEU 37 -8.826 2.467 9.986 332 HD11 LEU 37 1HD1 LEU 37 -6.478 3.853 9.618 333 HD12 LEU 37 2HD1 LEU 37 -7.106 3.679 7.980 334 HD13 LEU 37 3HD1 LEU 37 -6.849 2.251 8.982 335 HD21 LEU 37 3HD2 LEU 37 -8.482 5.460 10.112 336 HD22 LEU 37 1HD2 LEU 37 -7.905 4.326 11.333 337 HD23 LEU 37 2HD2 LEU 37 -9.635 4.486 11.025 338 H GLU 38 HN GLU 38 -12.947 5.030 9.144 339 HA GLU 38 HA GLU 38 -14.534 5.053 6.989 340 HB2 GLU 38 2HB GLU 38 -13.588 7.364 8.662 341 HB3 GLU 38 3HB GLU 38 -14.748 7.604 7.363 342 HG2 GLU 38 2HG GLU 38 -15.788 7.343 9.585 343 HG3 GLU 38 3HG GLU 38 -16.325 6.143 8.411 344 H ASP 39 HN ASP 39 -11.370 6.581 7.165 345 HA ASP 39 HA ASP 39 -11.418 6.865 4.243 346 HB2 ASP 39 2HB ASP 39 -11.753 9.055 5.697 347 HB3 ASP 39 3HB ASP 39 -10.002 8.946 5.848 348 HA PRO 40 HA PRO 40 -7.561 4.753 4.486 349 HB2 PRO 40 2HB PRO 40 -6.578 5.410 2.042 350 HB3 PRO 40 3HB PRO 40 -7.881 4.238 2.270 351 HG2 PRO 40 2HG PRO 40 -8.043 7.123 1.487 352 HG3 PRO 40 3HG PRO 40 -8.928 5.734 0.830 353 HD2 PRO 40 2HD PRO 40 -10.025 7.444 2.619 354 HD3 PRO 40 3HD PRO 40 -10.448 5.721 2.562 355 H ARG 41 HN ARG 41 -7.895 8.102 4.449 356 HA ARG 41 HA ARG 41 -5.106 8.779 4.237 357 HB2 ARG 41 2HB ARG 41 -7.609 10.301 4.890 358 HB3 ARG 41 3HB ARG 41 -6.031 11.027 5.164 359 HG2 ARG 41 2HG ARG 41 -5.630 10.278 2.671 360 HG3 ARG 41 3HG ARG 41 -7.393 10.348 2.615 361 HD2 ARG 41 2HD ARG 41 -5.934 12.634 3.832 362 HD3 ARG 41 3HD ARG 41 -5.886 12.460 2.078 363 HE ARG 41 HE ARG 41 -8.511 12.247 2.600 364 HH11 ARG 41 2HH1 ARG 41 -6.107 14.554 3.607 365 HH12 ARG 41 1HH1 ARG 41 -7.229 15.868 3.725 366 HH21 ARG 41 2HH2 ARG 41 -9.999 13.969 2.751 367 HH22 ARG 41 1HH2 ARG 41 -9.443 15.534 3.239 368 H SER 42 HN SER 42 -7.435 8.269 6.825 369 HA SER 42 HA SER 42 -6.367 9.279 9.047 370 HB2 SER 42 2HB SER 42 -8.271 7.539 8.788 371 HB3 SER 42 3HB SER 42 -7.007 6.338 9.056 372 HG SER 42 HG SER 42 -6.515 7.599 11.009 373 H LEU 43 HN LEU 43 -5.241 6.160 7.727 374 HA LEU 43 HA LEU 43 -2.756 6.487 9.257 375 HB2 LEU 43 2HB LEU 43 -4.178 4.116 8.109 376 HB3 LEU 43 3HB LEU 43 -2.461 4.029 8.496 377 HG LEU 43 HG LEU 43 -4.483 4.855 10.555 378 HD11 LEU 43 1HD1 LEU 43 -5.268 2.795 10.809 379 HD12 LEU 43 2HD1 LEU 43 -3.645 2.107 10.786 380 HD13 LEU 43 3HD1 LEU 43 -4.506 2.382 9.272 381 HD21 LEU 43 3HD2 LEU 43 -1.773 4.894 10.587 382 HD22 LEU 43 1HD2 LEU 43 -2.095 3.286 11.238 383 HD23 LEU 43 2HD2 LEU 43 -2.785 4.709 12.020 384 H GLY 44 HN GLY 44 -0.795 6.617 8.280 385 HA2 GLY 44 1HA GLY 44 0.617 6.067 6.352 386 HA3 GLY 44 2HA GLY 44 -0.760 6.450 5.330 387 H GLU 45 HN GLU 45 1.410 7.675 4.576 388 HA GLU 45 HA GLU 45 1.027 10.439 5.489 389 HB2 GLU 45 2HB GLU 45 3.460 10.830 5.328 390 HB3 GLU 45 3HB GLU 45 3.051 9.659 6.574 391 HG2 GLU 45 2HG GLU 45 3.927 7.887 5.387 392 HG3 GLU 45 3HG GLU 45 3.795 8.722 3.841 393 HA PRO 46 HA PRO 46 0.667 11.311 1.190 394 HB2 PRO 46 2HB PRO 46 1.225 13.967 1.241 395 HB3 PRO 46 3HB PRO 46 -0.301 13.295 1.828 396 HG2 PRO 46 2HG PRO 46 2.121 14.130 3.377 397 HG3 PRO 46 3HG PRO 46 0.409 14.416 3.738 398 HD2 PRO 46 2HD PRO 46 1.845 12.462 4.943 399 HD3 PRO 46 3HD PRO 46 0.109 12.303 4.607 400 H LEU 47 HN LEU 47 1.905 12.393 -0.609 401 HA LEU 47 HA LEU 47 4.789 11.949 -0.219 402 HB2 LEU 47 2HB LEU 47 3.884 10.390 -1.783 403 HB3 LEU 47 3HB LEU 47 3.047 11.670 -2.658 404 HG LEU 47 HG LEU 47 5.538 12.527 -3.014 405 HD11 LEU 47 1HD1 LEU 47 6.508 9.971 -3.561 406 HD12 LEU 47 2HD1 LEU 47 5.858 9.882 -1.924 407 HD13 LEU 47 3HD1 LEU 47 7.080 11.090 -2.323 408 HD21 LEU 47 3HD2 LEU 47 3.774 10.694 -4.507 409 HD22 LEU 47 1HD2 LEU 47 5.449 10.776 -5.051 410 HD23 LEU 47 2HD2 LEU 47 4.473 12.243 -4.984 411 H ARG 48 HN ARG 48 6.264 13.445 -0.953 412 HA ARG 48 HA ARG 48 5.172 15.961 -2.023 413 HB2 ARG 48 2HB ARG 48 5.940 15.847 0.504 414 HB3 ARG 48 3HB ARG 48 7.540 16.016 -0.205 415 HG2 ARG 48 2HG ARG 48 5.392 17.910 -1.019 416 HG3 ARG 48 3HG ARG 48 6.179 18.114 0.548 417 HD2 ARG 48 2HD ARG 48 7.628 17.920 -2.089 418 HD3 ARG 48 3HD ARG 48 7.227 19.432 -1.276 419 HE ARG 48 HE ARG 48 8.746 17.561 0.316 420 HH11 ARG 48 2HH1 ARG 48 8.854 20.234 -1.912 421 HH12 ARG 48 1HH1 ARG 48 10.441 20.739 -1.433 422 HH21 ARG 48 2HH2 ARG 48 10.835 18.216 0.956 423 HH22 ARG 48 1HH2 ARG 48 11.567 19.590 0.198 424 H GLY 49 HN GLY 49 5.977 16.316 -3.979 425 HA2 GLY 49 1HA GLY 49 8.810 16.226 -4.458 426 HA3 GLY 49 2HA GLY 49 7.941 14.941 -5.283 427 HA PRO 50 HA PRO 50 7.806 19.146 -7.568 428 HB2 PRO 50 2HB PRO 50 9.825 18.758 -9.342 429 HB3 PRO 50 3HB PRO 50 10.062 19.534 -7.771 430 HG2 PRO 50 2HG PRO 50 10.608 16.707 -8.589 431 HG3 PRO 50 3HG PRO 50 11.598 17.797 -7.601 432 HD2 PRO 50 2HD PRO 50 10.034 15.869 -6.520 433 HD3 PRO 50 3HD PRO 50 10.352 17.412 -5.701 434 H GLU 51 HN GLU 51 8.772 15.990 -8.922 435 HA GLU 51 HA GLU 51 7.005 16.408 -11.201 436 HB2 GLU 51 2HB GLU 51 9.169 14.454 -10.534 437 HB3 GLU 51 3HB GLU 51 7.971 14.021 -11.746 438 HG2 GLU 51 2HG GLU 51 8.604 16.405 -12.697 439 HG3 GLU 51 3HG GLU 51 10.105 16.075 -11.832 440 H LEU 52 HN LEU 52 7.575 13.746 -8.892 441 HA LEU 52 HA LEU 52 5.524 12.096 -9.324 442 HB2 LEU 52 2HB LEU 52 6.497 13.134 -6.676 443 HB3 LEU 52 3HB LEU 52 5.330 11.821 -6.810 444 HG LEU 52 HG LEU 52 7.928 11.567 -8.245 445 HD11 LEU 52 1HD1 LEU 52 8.553 12.358 -6.011 446 HD12 LEU 52 2HD1 LEU 52 9.005 10.672 -6.262 447 HD13 LEU 52 3HD1 LEU 52 7.587 11.069 -5.291 448 HD21 LEU 52 3HD2 LEU 52 5.693 9.909 -7.499 449 HD22 LEU 52 1HD2 LEU 52 7.207 9.231 -6.900 450 HD23 LEU 52 2HD2 LEU 52 7.016 9.576 -8.619 451 H GLY 53 HN GLY 53 3.335 11.946 -8.991 452 HA2 GLY 53 1HA GLY 53 1.935 14.480 -8.728 453 HA3 GLY 53 2HA GLY 53 1.227 12.937 -9.183 454 H ARG 54 HN ARG 54 -0.387 12.620 -7.781 455 HA ARG 54 HA ARG 54 0.115 13.104 -4.928 456 HB2 ARG 54 2HB ARG 54 -1.840 14.237 -5.932 457 HB3 ARG 54 3HB ARG 54 -2.509 12.669 -6.365 458 HG2 ARG 54 2HG ARG 54 -2.692 12.072 -4.021 459 HG3 ARG 54 3HG ARG 54 -1.959 13.610 -3.558 460 HD2 ARG 54 2HD ARG 54 -3.825 14.832 -4.168 461 HD3 ARG 54 3HD ARG 54 -4.406 13.586 -5.272 462 HE ARG 54 HE ARG 54 -4.627 12.353 -2.915 463 HH11 ARG 54 2HH1 ARG 54 -5.576 15.544 -3.933 464 HH12 ARG 54 1HH1 ARG 54 -6.915 15.637 -2.837 465 HH21 ARG 54 2HH2 ARG 54 -6.387 12.463 -1.467 466 HH22 ARG 54 1HH2 ARG 54 -7.375 13.885 -1.434 467 H PHE 55 HN PHE 55 1.092 11.278 -4.197 468 HA PHE 55 HA PHE 55 -0.426 8.771 -4.491 469 HB2 PHE 55 2HB PHE 55 2.583 9.074 -4.379 470 HB3 PHE 55 3HB PHE 55 1.713 7.544 -4.427 471 HD1 PHE 55 1HD PHE 55 -0.016 7.380 -6.455 472 HD2 PHE 55 2HD PHE 55 3.443 9.858 -6.349 473 HE1 PHE 55 1HE PHE 55 0.013 7.439 -8.914 474 HE2 PHE 55 2HE PHE 55 3.477 9.921 -8.808 475 HZ PHE 55 HZ PHE 55 1.761 8.711 -10.094 476 H TRP 56 HN TRP 56 -0.997 7.807 -2.649 477 HA TRP 56 HA TRP 56 0.069 8.899 -0.143 478 HB2 TRP 56 2HB TRP 56 -2.437 8.867 -0.643 479 HB3 TRP 56 3HB TRP 56 -2.350 7.121 -0.429 480 HD1 TRP 56 1HD TRP 56 -1.920 6.206 2.055 481 HE1 TRP 56 1HE TRP 56 -2.238 7.302 4.362 482 HE3 TRP 56 3HE TRP 56 -2.268 11.092 0.592 483 HZ2 TRP 56 2HZ TRP 56 -2.589 9.894 5.422 484 HZ3 TRP 56 3HZ TRP 56 -2.595 12.819 2.314 485 HH2 TRP 56 2HH TRP 56 -2.752 12.230 4.679 486 H LYS 57 HN LYS 57 1.245 7.700 1.225 487 HA LYS 57 HA LYS 57 1.501 4.819 0.654 488 HB2 LYS 57 2HB LYS 57 3.823 4.938 1.350 489 HB3 LYS 57 3HB LYS 57 3.531 6.094 0.057 490 HG2 LYS 57 2HG LYS 57 3.276 7.072 2.842 491 HG3 LYS 57 3HG LYS 57 4.897 6.716 2.241 492 HD2 LYS 57 2HD LYS 57 2.918 8.490 0.816 493 HD3 LYS 57 3HD LYS 57 4.169 9.084 1.911 494 HE2 LYS 57 2HE LYS 57 5.301 9.285 -0.050 495 HE3 LYS 57 3HE LYS 57 5.708 7.611 0.323 496 HZ1 LYS 57 3HZ LYS 57 4.578 8.480 -1.980 497 HZ2 LYS 57 1HZ LYS 57 3.245 7.883 -1.127 498 HZ3 LYS 57 2HZ LYS 57 4.572 6.880 -1.432 499 H TYR 58 HN TYR 58 2.265 3.539 2.562 500 HA TYR 58 HA TYR 58 1.210 4.639 5.082 501 HB2 TYR 58 2HB TYR 58 0.849 1.811 4.069 502 HB3 TYR 58 3HB TYR 58 0.288 2.429 5.618 503 HD1 TYR 58 2HD TYR 58 -0.269 2.440 1.994 504 HD2 TYR 58 1HD TYR 58 -1.662 3.857 5.756 505 HE1 TYR 58 2HE TYR 58 -2.390 3.116 0.948 506 HE2 TYR 58 1HE TYR 58 -3.787 4.536 4.721 507 HH TYR 58 HH TYR 58 -4.583 5.166 2.393 508 H ARG 59 HN ARG 59 2.095 3.700 7.021 509 HA ARG 59 HA ARG 59 4.775 2.546 6.606 510 HB2 ARG 59 2HB ARG 59 4.955 4.810 7.448 511 HB3 ARG 59 3HB ARG 59 3.825 4.454 8.747 512 HG2 ARG 59 2HG ARG 59 5.375 3.326 9.979 513 HG3 ARG 59 3HG ARG 59 6.292 2.815 8.560 514 HD2 ARG 59 2HD ARG 59 6.966 5.230 8.277 515 HD3 ARG 59 3HD ARG 59 6.261 5.527 9.866 516 HE ARG 59 HE ARG 59 8.734 4.145 9.282 517 HH11 ARG 59 2HH1 ARG 59 6.238 4.788 11.622 518 HH12 ARG 59 1HH1 ARG 59 7.228 4.380 12.984 519 HH21 ARG 59 2HH2 ARG 59 10.048 3.606 11.067 520 HH22 ARG 59 1HH2 ARG 59 9.396 3.709 12.667 521 H VAL 60 HN VAL 60 5.027 0.561 7.368 522 HA VAL 60 HA VAL 60 3.381 -0.296 9.657 523 HB VAL 60 HB VAL 60 4.016 -1.824 7.140 524 HG11 VAL 60 1HG1 VAL 60 4.190 -3.694 8.328 525 HG12 VAL 60 2HG1 VAL 60 3.819 -2.839 9.826 526 HG13 VAL 60 3HG1 VAL 60 2.513 -3.471 8.824 527 HG21 VAL 60 3HG2 VAL 60 1.330 -1.868 8.333 528 HG22 VAL 60 1HG2 VAL 60 1.870 -0.290 7.760 529 HG23 VAL 60 2HG2 VAL 60 1.824 -1.663 6.653 530 H GLY 61 HN GLY 61 5.126 0.169 11.065 531 HA2 GLY 61 1HA GLY 61 6.930 -0.451 12.344 532 HA3 GLY 61 2HA GLY 61 6.861 -2.012 11.540 533 H ASP 62 HN ASP 62 8.142 -2.396 9.727 534 HA ASP 62 HA ASP 62 10.108 -0.302 9.083 535 HB2 ASP 62 2HB ASP 62 10.657 -3.231 9.592 536 HB3 ASP 62 3HB ASP 62 11.827 -2.115 8.893 537 H TYR 63 HN TYR 63 7.800 -0.778 7.606 538 HA TYR 63 HA TYR 63 8.978 -1.616 5.075 539 HB2 TYR 63 2HB TYR 63 6.435 -2.801 6.199 540 HB3 TYR 63 3HB TYR 63 6.940 -2.963 4.521 541 HD1 TYR 63 1HD TYR 63 8.199 -3.590 7.980 542 HD2 TYR 63 2HD TYR 63 8.191 -4.811 3.904 543 HE1 TYR 63 1HE TYR 63 9.525 -5.574 8.578 544 HE2 TYR 63 2HE TYR 63 9.517 -6.798 4.491 545 HH TYR 63 HH TYR 63 10.876 -7.681 6.147 546 H ARG 64 HN ARG 64 8.265 -0.455 3.361 547 HA ARG 64 HA ARG 64 6.248 1.607 3.924 548 HB2 ARG 64 2HB ARG 64 8.539 1.502 1.966 549 HB3 ARG 64 3HB ARG 64 7.273 2.719 1.873 550 HG2 ARG 64 2HG ARG 64 8.947 2.280 4.330 551 HG3 ARG 64 3HG ARG 64 9.381 3.413 3.048 552 HD2 ARG 64 2HD ARG 64 6.738 3.490 4.483 553 HD3 ARG 64 3HD ARG 64 8.153 4.388 5.030 554 HE ARG 64 HE ARG 64 6.449 5.029 2.815 555 HH11 ARG 64 2HH1 ARG 64 9.660 5.353 4.122 556 HH12 ARG 64 1HH1 ARG 64 10.015 6.800 3.237 557 HH21 ARG 64 2HH2 ARG 64 6.905 6.933 1.644 558 HH22 ARG 64 1HH2 ARG 64 8.447 7.698 1.829 559 H LEU 65 HN LEU 65 4.432 1.781 2.724 560 HA LEU 65 HA LEU 65 4.121 -0.073 0.455 561 HB2 LEU 65 2HB LEU 65 1.902 0.750 2.308 562 HB3 LEU 65 3HB LEU 65 1.879 -0.519 1.086 563 HG LEU 65 HG LEU 65 3.571 -0.624 3.578 564 HD11 LEU 65 1HD1 LEU 65 1.063 -2.200 3.172 565 HD12 LEU 65 2HD1 LEU 65 1.001 -0.578 3.861 566 HD13 LEU 65 3HD1 LEU 65 1.932 -1.842 4.665 567 HD21 LEU 65 3HD2 LEU 65 3.213 -2.324 1.214 568 HD22 LEU 65 1HD2 LEU 65 3.124 -3.174 2.757 569 HD23 LEU 65 2HD2 LEU 65 4.557 -2.226 2.354 570 H ILE 66 HN ILE 66 4.189 1.184 -1.302 571 HA ILE 66 HA ILE 66 3.015 3.842 -1.273 572 HB ILE 66 HB ILE 66 4.280 2.459 -3.633 573 HG12 ILE 66 2HG1 ILE 66 5.853 2.411 -1.748 574 HG13 ILE 66 3HG1 ILE 66 6.390 3.539 -2.989 575 HG21 ILE 66 1HG2 ILE 66 2.884 4.620 -3.814 576 HG22 ILE 66 2HG2 ILE 66 4.270 5.396 -3.047 577 HG23 ILE 66 3HG2 ILE 66 4.466 4.568 -4.592 578 HD11 ILE 66 3HD1 ILE 66 5.742 5.406 -1.689 579 HD12 ILE 66 1HD1 ILE 66 4.880 4.388 -0.537 580 HD13 ILE 66 2HD1 ILE 66 6.640 4.323 -0.626 581 H CYS 67 HN CYS 67 0.842 3.804 -1.377 582 HA CYS 67 HA CYS 67 -0.395 2.188 -3.507 583 HB2 CYS 67 2HB CYS 67 -1.637 3.170 -0.928 584 HB3 CYS 67 3HB CYS 67 -2.458 2.226 -2.165 585 HG CYS 67 HG CYS 67 0.283 0.664 -1.220 586 H HIS 68 HN HIS 68 -2.427 3.137 -4.403 587 HA HIS 68 HA HIS 68 -2.214 6.072 -4.581 588 HB2 HIS 68 2HB HIS 68 -1.490 4.789 -6.641 589 HB3 HIS 68 3HB HIS 68 -3.160 4.256 -6.801 590 HD2 HIS 68 2HD HIS 68 -2.728 7.948 -5.772 591 HE1 HIS 68 1HE HIS 68 -3.661 7.862 -9.910 592 HE2 HIS 68 2HE HIS 68 -3.293 9.321 -7.890 593 H ILE 69 HN ILE 69 -3.853 6.837 -3.396 594 HA ILE 69 HA ILE 69 -6.367 5.462 -3.174 595 HB ILE 69 HB ILE 69 -5.587 8.221 -2.224 596 HG12 ILE 69 2HG1 ILE 69 -5.786 5.642 -0.658 597 HG13 ILE 69 3HG1 ILE 69 -4.274 6.312 -1.262 598 HG21 ILE 69 1HG2 ILE 69 -8.063 6.596 -1.958 599 HG22 ILE 69 2HG2 ILE 69 -7.562 7.597 -0.596 600 HG23 ILE 69 3HG2 ILE 69 -7.871 8.336 -2.167 601 HD11 ILE 69 3HD1 ILE 69 -5.022 8.429 0.061 602 HD12 ILE 69 1HD1 ILE 69 -6.034 7.279 0.934 603 HD13 ILE 69 2HD1 ILE 69 -4.283 7.065 0.899 604 H GLN 70 HN GLN 70 -8.017 5.620 -4.529 605 HA GLN 70 HA GLN 70 -8.123 7.924 -6.355 606 HB2 GLN 70 2HB GLN 70 -9.218 5.124 -6.628 607 HB3 GLN 70 3HB GLN 70 -9.603 6.428 -7.744 608 HG2 GLN 70 2HG GLN 70 -7.885 5.481 -8.873 609 HG3 GLN 70 3HG GLN 70 -6.970 6.608 -7.873 610 HE21 GLN 70 1HE2 GLN 70 -5.136 5.281 -8.082 611 HE22 GLN 70 2HE2 GLN 70 -4.977 3.819 -7.176 612 H ASP 71 HN ASP 71 -9.546 9.423 -5.798 613 HA ASP 71 HA ASP 71 -11.596 9.032 -3.894 614 HB2 ASP 71 2HB ASP 71 -10.913 11.245 -5.806 615 HB3 ASP 71 3HB ASP 71 -12.403 11.307 -4.869 616 H ARG 72 HN ARG 72 -11.904 9.811 -7.365 617 HA ARG 72 HA ARG 72 -14.599 9.477 -7.667 618 HB2 ARG 72 2HB ARG 72 -12.778 10.125 -9.397 619 HB3 ARG 72 3HB ARG 72 -12.715 8.403 -9.744 620 HG2 ARG 72 2HG ARG 72 -14.847 8.365 -10.627 621 HG3 ARG 72 3HG ARG 72 -15.335 9.832 -9.775 622 HD2 ARG 72 2HD ARG 72 -13.315 9.735 -12.012 623 HD3 ARG 72 3HD ARG 72 -15.016 10.153 -12.216 624 HE ARG 72 HE ARG 72 -14.205 11.897 -10.332 625 HH11 ARG 72 2HH1 ARG 72 -12.913 11.012 -13.442 626 HH12 ARG 72 1HH1 ARG 72 -12.223 12.572 -13.745 627 HH21 ARG 72 2HH2 ARG 72 -13.300 13.955 -10.719 628 HH22 ARG 72 1HH2 ARG 72 -12.442 14.245 -12.195 629 H GLU 73 HN GLU 73 -12.119 6.943 -7.789 630 HA GLU 73 HA GLU 73 -14.173 4.888 -8.023 631 HB2 GLU 73 2HB GLU 73 -11.161 4.814 -8.098 632 HB3 GLU 73 3HB GLU 73 -12.136 3.352 -8.055 633 HG2 GLU 73 2HG GLU 73 -12.270 5.483 -10.176 634 HG3 GLU 73 3HG GLU 73 -11.444 3.933 -10.323 635 H ALA 74 HN ALA 74 -12.844 6.612 -5.569 636 HA ALA 74 HA ALA 74 -12.381 6.224 -3.343 637 HB1 ALA 74 1HB ALA 74 -14.396 4.862 -2.343 638 HB2 ALA 74 2HB ALA 74 -14.630 6.483 -3.000 639 HB3 ALA 74 3HB ALA 74 -15.054 5.070 -3.967 640 H THR 75 HN THR 75 -10.788 4.531 -4.767 641 HA THR 75 HA THR 75 -10.766 2.153 -3.047 642 HB THR 75 HB THR 75 -10.152 2.022 -6.002 643 HG1 THR 75 1HG THR 75 -12.396 0.769 -4.877 644 HG21 THR 75 3HG2 THR 75 -9.089 0.169 -5.280 645 HG22 THR 75 1HG2 THR 75 -10.714 -0.504 -5.169 646 HG23 THR 75 2HG2 THR 75 -9.937 0.163 -3.734 647 H VAL 76 HN VAL 76 -8.719 1.317 -2.581 648 HA VAL 76 HA VAL 76 -6.494 3.131 -3.238 649 HB VAL 76 HB VAL 76 -6.770 1.245 -0.893 650 HG11 VAL 76 1HG1 VAL 76 -4.516 2.790 -1.985 651 HG12 VAL 76 2HG1 VAL 76 -4.761 2.931 -0.243 652 HG13 VAL 76 3HG1 VAL 76 -4.520 1.345 -0.976 653 HG21 VAL 76 3HG2 VAL 76 -6.520 3.833 0.050 654 HG22 VAL 76 1HG2 VAL 76 -7.610 3.988 -1.328 655 HG23 VAL 76 2HG2 VAL 76 -8.004 2.882 -0.012 656 H LEU 77 HN LEU 77 -5.406 2.322 -4.925 657 HA LEU 77 HA LEU 77 -4.952 -0.567 -5.089 658 HB2 LEU 77 2HB LEU 77 -5.816 0.382 -7.097 659 HB3 LEU 77 3HB LEU 77 -4.610 1.668 -7.076 660 HG LEU 77 HG LEU 77 -2.916 -0.305 -7.319 661 HD11 LEU 77 1HD1 LEU 77 -5.541 -1.561 -7.904 662 HD12 LEU 77 2HD1 LEU 77 -4.085 -2.254 -7.191 663 HD13 LEU 77 3HD1 LEU 77 -4.172 -1.985 -8.932 664 HD21 LEU 77 3HD2 LEU 77 -4.619 0.380 -9.701 665 HD22 LEU 77 1HD2 LEU 77 -2.891 0.032 -9.652 666 HD23 LEU 77 2HD2 LEU 77 -3.508 1.533 -8.961 667 H VAL 78 HN VAL 78 -3.131 -1.352 -4.287 668 HA VAL 78 HA VAL 78 -0.957 0.268 -3.465 669 HB VAL 78 HB VAL 78 -1.045 -2.729 -3.845 670 HG11 VAL 78 1HG1 VAL 78 0.953 -2.903 -2.721 671 HG12 VAL 78 2HG1 VAL 78 1.216 -1.421 -3.642 672 HG13 VAL 78 3HG1 VAL 78 0.774 -1.334 -1.937 673 HG21 VAL 78 3HG2 VAL 78 -1.130 -1.696 -1.127 674 HG22 VAL 78 1HG2 VAL 78 -2.518 -1.197 -2.093 675 HG23 VAL 78 2HG2 VAL 78 -2.142 -2.910 -1.908 676 H LEU 79 HN LEU 79 0.657 1.068 -4.626 677 HA LEU 79 HA LEU 79 1.039 0.202 -7.366 678 HB2 LEU 79 2HB LEU 79 1.926 2.497 -5.703 679 HB3 LEU 79 3HB LEU 79 2.914 2.059 -7.095 680 HG LEU 79 HG LEU 79 -0.018 2.759 -7.221 681 HD11 LEU 79 1HD1 LEU 79 1.368 4.705 -8.563 682 HD12 LEU 79 2HD1 LEU 79 2.381 4.413 -7.149 683 HD13 LEU 79 3HD1 LEU 79 0.687 4.858 -6.943 684 HD21 LEU 79 3HD2 LEU 79 0.684 1.280 -9.012 685 HD22 LEU 79 1HD2 LEU 79 2.053 2.333 -9.373 686 HD23 LEU 79 2HD2 LEU 79 0.406 2.906 -9.638 687 H ARG 80 HN ARG 80 3.178 0.686 -4.549 688 HA ARG 80 HA ARG 80 4.747 -1.629 -5.445 689 HB2 ARG 80 2HB ARG 80 5.835 1.068 -4.631 690 HB3 ARG 80 3HB ARG 80 6.820 -0.383 -4.754 691 HG2 ARG 80 2HG ARG 80 5.186 0.418 -7.103 692 HG3 ARG 80 3HG ARG 80 6.649 1.334 -6.734 693 HD2 ARG 80 2HD ARG 80 6.604 -1.666 -6.966 694 HD3 ARG 80 3HD ARG 80 6.920 -0.602 -8.337 695 HE ARG 80 HE ARG 80 8.615 -0.065 -6.092 696 HH11 ARG 80 2HH1 ARG 80 8.168 -2.088 -8.889 697 HH12 ARG 80 1HH1 ARG 80 9.853 -2.458 -9.053 698 HH21 ARG 80 2HH2 ARG 80 10.836 -0.543 -6.297 699 HH22 ARG 80 1HH2 ARG 80 11.369 -1.579 -7.578 700 H VAL 81 HN VAL 81 6.140 -2.522 -3.727 701 HA VAL 81 HA VAL 81 5.447 -1.800 -0.997 702 HB VAL 81 HB VAL 81 4.781 -4.497 -2.174 703 HG11 VAL 81 1HG1 VAL 81 6.001 -4.716 -0.024 704 HG12 VAL 81 2HG1 VAL 81 4.755 -3.728 0.741 705 HG13 VAL 81 3HG1 VAL 81 4.338 -5.297 0.049 706 HG21 VAL 81 3HG2 VAL 81 2.583 -3.938 -0.968 707 HG22 VAL 81 1HG2 VAL 81 3.196 -2.285 -0.912 708 HG23 VAL 81 2HG2 VAL 81 2.945 -3.082 -2.466 709 H GLY 82 HN GLY 82 7.345 -1.676 -0.005 710 HA2 GLY 82 1HA GLY 82 9.171 -3.915 -0.061 711 HA3 GLY 82 2HA GLY 82 9.797 -2.467 -0.834 712 H HIS 83 HN HIS 83 10.907 -3.735 1.460 713 HA HIS 83 HA HIS 83 10.225 -2.722 3.922 714 HB2 HIS 83 2HB HIS 83 12.062 -4.375 3.409 715 HB3 HIS 83 3HB HIS 83 13.075 -3.007 2.958 716 HD2 HIS 83 2HD HIS 83 12.012 -4.939 6.079 717 HE1 HIS 83 1HE HIS 83 14.033 -1.453 7.407 718 HE2 HIS 83 2HE HIS 83 13.155 -3.723 8.055 719 H ALA 84 HN ALA 84 11.181 -0.982 5.197 720 HA ALA 84 HA ALA 84 10.796 1.528 4.158 721 HB1 ALA 84 1HB ALA 84 11.953 0.427 6.581 722 HB2 ALA 84 2HB ALA 84 12.698 1.957 6.117 723 HB3 ALA 84 3HB ALA 84 10.953 1.863 6.355 724 H ARG 85 HN ARG 85 13.955 -0.058 4.650 725 HA ARG 85 HA ARG 85 15.506 1.962 3.484 726 HB2 ARG 85 2HB ARG 85 16.034 -1.007 3.697 727 HB3 ARG 85 3HB ARG 85 17.238 0.187 3.229 728 HG2 ARG 85 2HG ARG 85 16.567 1.303 5.502 729 HG3 ARG 85 3HG ARG 85 16.011 -0.327 5.889 730 HD2 ARG 85 2HD ARG 85 18.770 0.272 4.845 731 HD3 ARG 85 3HD ARG 85 18.381 0.222 6.564 732 HE ARG 85 HE ARG 85 17.479 -2.158 5.698 733 HH11 ARG 85 2HH1 ARG 85 20.509 -0.498 5.268 734 HH12 ARG 85 1HH1 ARG 85 21.441 -1.955 5.159 735 HH21 ARG 85 2HH2 ARG 85 18.695 -4.083 5.555 736 HH22 ARG 85 1HH2 ARG 85 20.408 -3.993 5.321 737 H ASP 86 HN ASP 86 14.511 -1.153 2.053 738 HA ASP 86 HA ASP 86 15.457 -0.959 -0.461 739 HB2 ASP 86 2HB ASP 86 14.100 -2.847 0.317 740 HB3 ASP 86 3HB ASP 86 12.656 -1.839 0.271 741 H VAL 87 HN VAL 87 12.289 0.378 0.496 742 HA VAL 87 HA VAL 87 11.856 1.734 -1.949 743 HB VAL 87 HB VAL 87 10.650 2.249 0.773 744 HG11 VAL 87 1HG1 VAL 87 10.502 4.167 -0.822 745 HG12 VAL 87 2HG1 VAL 87 9.600 3.115 -1.915 746 HG13 VAL 87 3HG1 VAL 87 8.944 3.508 -0.326 747 HG21 VAL 87 3HG2 VAL 87 10.330 0.106 -1.046 748 HG22 VAL 87 1HG2 VAL 87 9.427 0.427 0.435 749 HG23 VAL 87 2HG2 VAL 87 8.856 1.072 -1.104 750 H TYR 88 HN TYR 88 12.023 3.925 -2.463 751 HA TYR 88 HA TYR 88 14.331 5.247 -1.718 752 HB2 TYR 88 2HB TYR 88 13.471 6.090 -3.674 753 HB3 TYR 88 3HB TYR 88 11.812 6.063 -3.084 754 HD1 TYR 88 2HD TYR 88 15.013 7.918 -2.899 755 HD2 TYR 88 1HD TYR 88 10.828 7.990 -2.131 756 HE1 TYR 88 2HE TYR 88 15.144 10.331 -2.442 757 HE2 TYR 88 1HE TYR 88 10.948 10.404 -1.673 758 HH TYR 88 HH TYR 88 13.905 12.228 -2.197 759 H ARG 89 HN ARG 89 14.641 7.245 -0.537 760 HA ARG 89 HA ARG 89 13.469 7.139 2.058 761 HB2 ARG 89 2HB ARG 89 15.457 8.920 0.699 762 HB3 ARG 89 3HB ARG 89 14.772 9.408 2.243 763 HG2 ARG 89 2HG ARG 89 15.519 7.173 3.143 764 HG3 ARG 89 3HG ARG 89 16.421 6.972 1.640 765 HD2 ARG 89 2HD ARG 89 18.015 7.881 3.043 766 HD3 ARG 89 3HD ARG 89 17.394 9.309 2.216 767 HE ARG 89 HE ARG 89 15.852 9.176 4.426 768 HH11 ARG 89 2HH1 ARG 89 19.296 9.096 3.924 769 HH12 ARG 89 1HH1 ARG 89 19.666 9.833 5.448 770 HH21 ARG 89 2HH2 ARG 89 16.327 10.147 6.434 771 HH22 ARG 89 1HH2 ARG 89 17.977 10.429 6.875 Start of MODEL 17 1 H1 MET 1 HN MET 1 -20.751 0.438 4.420 2 HA MET 1 HA MET 1 -18.942 -0.171 2.420 3 HB2 MET 1 2HB MET 1 -21.157 1.803 2.693 4 HB3 MET 1 3HB MET 1 -20.069 1.975 1.321 5 HG2 MET 1 2HG MET 1 -20.726 -0.017 0.375 6 HG3 MET 1 3HG MET 1 -21.288 -0.680 1.908 7 HE1 MET 1 3HE MET 1 -23.291 -1.555 0.295 8 HE2 MET 1 1HE MET 1 -24.475 -0.484 -0.454 9 HE3 MET 1 2HE MET 1 -22.836 -0.573 -1.099 10 H GLY 2 HN GLY 2 -16.845 0.359 2.464 11 HA2 GLY 2 1HA GLY 2 -16.173 3.197 2.948 12 HA3 GLY 2 2HA GLY 2 -15.173 1.881 3.545 13 H TYR 3 HN TYR 3 -13.410 1.534 2.390 14 HA TYR 3 HA TYR 3 -13.460 2.212 -0.476 15 HB2 TYR 3 2HB TYR 3 -11.268 2.365 1.579 16 HB3 TYR 3 3HB TYR 3 -10.901 2.314 -0.142 17 HD1 TYR 3 2HD TYR 3 -13.118 4.180 2.224 18 HD2 TYR 3 1HD TYR 3 -10.645 4.327 -1.235 19 HE1 TYR 3 2HE TYR 3 -13.469 6.610 2.084 20 HE2 TYR 3 1HE TYR 3 -10.988 6.758 -1.384 21 HH TYR 3 HH TYR 3 -11.620 8.617 0.009 22 H ARG 4 HN ARG 4 -12.254 0.866 -1.924 23 HA ARG 4 HA ARG 4 -12.348 -1.937 -1.135 24 HB2 ARG 4 2HB ARG 4 -13.430 -1.364 -3.223 25 HB3 ARG 4 3HB ARG 4 -11.958 -0.610 -3.821 26 HG2 ARG 4 2HG ARG 4 -12.154 -2.725 -4.873 27 HG3 ARG 4 3HG ARG 4 -10.856 -2.851 -3.683 28 HD2 ARG 4 2HD ARG 4 -12.123 -4.159 -2.251 29 HD3 ARG 4 3HD ARG 4 -13.650 -3.608 -2.938 30 HE ARG 4 HE ARG 4 -12.200 -5.022 -4.891 31 HH11 ARG 4 2HH1 ARG 4 -13.955 -5.542 -1.930 32 HH12 ARG 4 1HH1 ARG 4 -14.414 -7.163 -2.334 33 HH21 ARG 4 2HH2 ARG 4 -12.797 -7.155 -5.434 34 HH22 ARG 4 1HH2 ARG 4 -13.753 -8.080 -4.327 35 H ILE 5 HN ILE 5 -10.608 -3.363 -1.335 36 HA ILE 5 HA ILE 5 -7.974 -2.054 -1.300 37 HB ILE 5 HB ILE 5 -8.635 -4.798 -0.237 38 HG12 ILE 5 2HG1 ILE 5 -9.922 -3.026 0.943 39 HG13 ILE 5 3HG1 ILE 5 -8.742 -3.821 1.979 40 HG21 ILE 5 1HG2 ILE 5 -6.471 -3.742 1.127 41 HG22 ILE 5 2HG2 ILE 5 -6.415 -4.951 -0.154 42 HG23 ILE 5 3HG2 ILE 5 -6.209 -3.244 -0.544 43 HD11 ILE 5 3HD1 ILE 5 -8.165 -1.227 0.590 44 HD12 ILE 5 1HD1 ILE 5 -8.936 -1.308 2.174 45 HD13 ILE 5 2HD1 ILE 5 -7.312 -1.961 1.948 46 H GLU 6 HN GLU 6 -6.882 -2.234 -3.136 47 HA GLU 6 HA GLU 6 -6.975 -4.799 -4.576 48 HB2 GLU 6 2HB GLU 6 -7.243 -2.013 -5.647 49 HB3 GLU 6 3HB GLU 6 -6.545 -3.274 -6.654 50 HG2 GLU 6 2HG GLU 6 -9.201 -3.628 -5.316 51 HG3 GLU 6 3HG GLU 6 -9.044 -2.809 -6.869 52 H PHE 7 HN PHE 7 -5.073 -5.239 -5.896 53 HA PHE 7 HA PHE 7 -2.672 -3.764 -5.072 54 HB2 PHE 7 2HB PHE 7 -3.194 -6.708 -4.808 55 HB3 PHE 7 3HB PHE 7 -1.551 -6.116 -5.033 56 HD1 PHE 7 1HD PHE 7 -4.545 -5.648 -2.875 57 HD2 PHE 7 2HD PHE 7 -0.305 -5.465 -3.200 58 HE1 PHE 7 1HE PHE 7 -4.383 -5.197 -0.461 59 HE2 PHE 7 2HE PHE 7 -0.136 -5.015 -0.787 60 HZ PHE 7 HZ PHE 7 -2.176 -4.881 0.586 61 H ASP 8 HN ASP 8 -1.418 -3.231 -6.733 62 HA ASP 8 HA ASP 8 -2.086 -3.749 -9.388 63 HB2 ASP 8 2HB ASP 8 0.277 -2.607 -7.990 64 HB3 ASP 8 3HB ASP 8 0.501 -3.109 -9.664 65 HA PRO 9 HA PRO 9 -0.381 -7.649 -10.443 66 HB2 PRO 9 2HB PRO 9 0.695 -7.191 -12.893 67 HB3 PRO 9 3HB PRO 9 -1.048 -7.257 -12.606 68 HG2 PRO 9 2HG PRO 9 0.741 -4.870 -12.863 69 HG3 PRO 9 3HG PRO 9 -0.872 -5.139 -13.550 70 HD2 PRO 9 2HD PRO 9 -0.466 -3.648 -11.327 71 HD3 PRO 9 3HD PRO 9 -1.939 -4.607 -11.578 72 H ARG 10 HN ARG 10 1.664 -4.940 -10.078 73 HA ARG 10 HA ARG 10 4.105 -6.519 -10.389 74 HB2 ARG 10 2HB ARG 10 3.725 -3.572 -9.827 75 HB3 ARG 10 3HB ARG 10 5.274 -4.365 -10.076 76 HG2 ARG 10 2HG ARG 10 3.206 -4.646 -12.187 77 HG3 ARG 10 3HG ARG 10 4.032 -3.095 -12.021 78 HD2 ARG 10 2HD ARG 10 5.386 -5.769 -12.360 79 HD3 ARG 10 3HD ARG 10 5.135 -4.586 -13.642 80 HE ARG 10 HE ARG 10 6.477 -3.270 -11.616 81 HH11 ARG 10 2HH1 ARG 10 7.042 -5.986 -13.719 82 HH12 ARG 10 1HH1 ARG 10 8.762 -5.778 -13.741 83 HH21 ARG 10 2HH2 ARG 10 8.740 -2.985 -11.636 84 HH22 ARG 10 1HH2 ARG 10 9.727 -4.072 -12.555 85 H ALA 11 HN ALA 11 2.438 -4.545 -7.951 86 HA ALA 11 HA ALA 11 4.252 -4.988 -5.853 87 HB1 ALA 11 1HB ALA 11 1.423 -4.084 -6.031 88 HB2 ALA 11 2HB ALA 11 2.070 -4.532 -4.452 89 HB3 ALA 11 3HB ALA 11 2.839 -3.250 -5.388 90 H GLU 12 HN GLU 12 1.286 -6.709 -6.773 91 HA GLU 12 HA GLU 12 0.925 -8.455 -4.740 92 HB2 GLU 12 2HB GLU 12 0.665 -8.774 -7.701 93 HB3 GLU 12 3HB GLU 12 0.434 -10.180 -6.671 94 HG2 GLU 12 2HG GLU 12 -1.057 -7.607 -6.267 95 HG3 GLU 12 3HG GLU 12 -1.640 -8.903 -7.310 96 H LYS 13 HN LYS 13 3.333 -8.787 -7.320 97 HA LYS 13 HA LYS 13 4.382 -11.249 -6.301 98 HB2 LYS 13 2HB LYS 13 5.362 -9.288 -8.372 99 HB3 LYS 13 3HB LYS 13 6.269 -10.731 -7.935 100 HG2 LYS 13 2HG LYS 13 3.415 -10.900 -8.829 101 HG3 LYS 13 3HG LYS 13 4.745 -10.830 -9.987 102 HD2 LYS 13 2HD LYS 13 5.749 -12.809 -8.903 103 HD3 LYS 13 3HD LYS 13 4.360 -12.893 -7.817 104 HE2 LYS 13 2HE LYS 13 3.824 -14.424 -9.480 105 HE3 LYS 13 3HE LYS 13 2.959 -12.972 -9.981 106 HZ1 LYS 13 3HZ LYS 13 4.038 -13.872 -11.878 107 HZ2 LYS 13 1HZ LYS 13 5.519 -13.998 -11.070 108 HZ3 LYS 13 2HZ LYS 13 4.888 -12.475 -11.446 109 H GLU 14 HN GLU 14 5.479 -7.869 -6.270 110 HA GLU 14 HA GLU 14 7.911 -8.160 -5.012 111 HB2 GLU 14 2HB GLU 14 5.875 -5.956 -4.649 112 HB3 GLU 14 3HB GLU 14 7.551 -5.860 -4.128 113 HG2 GLU 14 2HG GLU 14 6.879 -6.452 -6.978 114 HG3 GLU 14 3HG GLU 14 6.864 -4.797 -6.372 115 H LEU 15 HN LEU 15 4.721 -7.800 -3.486 116 HA LEU 15 HA LEU 15 5.697 -7.983 -0.826 117 HB2 LEU 15 2HB LEU 15 3.614 -6.935 -1.117 118 HB3 LEU 15 3HB LEU 15 2.981 -8.277 -2.067 119 HG LEU 15 HG LEU 15 3.691 -8.733 0.795 120 HD11 LEU 15 1HD1 LEU 15 2.386 -6.699 0.883 121 HD12 LEU 15 2HD1 LEU 15 1.415 -8.059 1.446 122 HD13 LEU 15 3HD1 LEU 15 1.163 -7.406 -0.172 123 HD21 LEU 15 3HD2 LEU 15 1.805 -9.891 -1.226 124 HD22 LEU 15 1HD2 LEU 15 1.576 -10.170 0.500 125 HD23 LEU 15 2HD2 LEU 15 3.064 -10.696 -0.288 126 H GLU 16 HN GLU 16 3.929 -10.325 -2.855 127 HA GLU 16 HA GLU 16 3.850 -12.488 -1.205 128 HB2 GLU 16 2HB GLU 16 4.205 -12.239 -4.165 129 HB3 GLU 16 3HB GLU 16 4.297 -13.829 -3.422 130 HG2 GLU 16 2HG GLU 16 2.056 -13.366 -2.393 131 HG3 GLU 16 3HG GLU 16 1.973 -11.926 -3.407 132 H LYS 17 HN LYS 17 6.629 -11.302 -3.005 133 HA LYS 17 HA LYS 17 8.340 -13.496 -2.537 134 HB2 LYS 17 2HB LYS 17 8.707 -10.651 -3.354 135 HB3 LYS 17 3HB LYS 17 10.122 -11.549 -2.821 136 HG2 LYS 17 2HG LYS 17 9.589 -13.282 -4.522 137 HG3 LYS 17 3HG LYS 17 8.295 -12.236 -5.111 138 HD2 LYS 17 2HD LYS 17 9.854 -10.537 -5.733 139 HD3 LYS 17 3HD LYS 17 11.179 -11.380 -4.927 140 HE2 LYS 17 2HE LYS 17 11.319 -11.710 -7.322 141 HE3 LYS 17 3HE LYS 17 10.942 -13.236 -6.523 142 HZ1 LYS 17 3HZ LYS 17 9.509 -11.945 -8.548 143 HZ2 LYS 17 1HZ LYS 17 8.535 -11.961 -7.164 144 HZ3 LYS 17 2HZ LYS 17 9.149 -13.410 -7.783 145 H LEU 18 HN LEU 18 7.570 -10.632 -0.661 146 HA LEU 18 HA LEU 18 9.655 -10.752 1.204 147 HB2 LEU 18 2HB LEU 18 6.821 -9.792 1.575 148 HB3 LEU 18 3HB LEU 18 8.158 -9.464 2.676 149 HG LEU 18 HG LEU 18 8.242 -8.588 -0.195 150 HD11 LEU 18 1HD1 LEU 18 7.327 -6.795 2.019 151 HD12 LEU 18 2HD1 LEU 18 6.174 -7.774 1.113 152 HD13 LEU 18 3HD1 LEU 18 7.171 -6.586 0.275 153 HD21 LEU 18 3HD2 LEU 18 10.189 -8.635 1.640 154 HD22 LEU 18 1HD2 LEU 18 9.466 -7.073 2.028 155 HD23 LEU 18 2HD2 LEU 18 10.066 -7.387 0.399 156 H ASP 19 HN ASP 19 9.234 -11.209 3.604 157 HA ASP 19 HA ASP 19 8.991 -13.901 4.052 158 HB2 ASP 19 2HB ASP 19 9.720 -11.916 5.623 159 HB3 ASP 19 3HB ASP 19 8.054 -12.025 6.186 160 H ARG 20 HN ARG 20 7.341 -15.124 5.247 161 HA ARG 20 HA ARG 20 4.783 -14.834 4.005 162 HB2 ARG 20 2HB ARG 20 5.722 -16.712 6.180 163 HB3 ARG 20 3HB ARG 20 4.174 -16.827 5.353 164 HG2 ARG 20 2HG ARG 20 5.553 -16.987 3.201 165 HG3 ARG 20 3HG ARG 20 6.922 -17.310 4.266 166 HD2 ARG 20 2HD ARG 20 5.751 -19.216 5.221 167 HD3 ARG 20 3HD ARG 20 4.344 -18.874 4.215 168 HE ARG 20 HE ARG 20 6.478 -19.177 2.488 169 HH11 ARG 20 2HH1 ARG 20 4.808 -21.112 4.852 170 HH12 ARG 20 1HH1 ARG 20 5.136 -22.611 4.048 171 HH21 ARG 20 2HH2 ARG 20 6.916 -21.144 1.420 172 HH22 ARG 20 1HH2 ARG 20 6.336 -22.629 2.096 173 H GLU 21 HN GLU 21 6.131 -14.095 7.149 174 HA GLU 21 HA GLU 21 3.591 -13.593 8.392 175 HB2 GLU 21 2HB GLU 21 5.379 -14.281 9.820 176 HB3 GLU 21 3HB GLU 21 6.434 -13.012 9.216 177 HG2 GLU 21 2HG GLU 21 5.820 -12.075 11.184 178 HG3 GLU 21 3HG GLU 21 4.524 -11.457 10.161 179 H VAL 22 HN VAL 22 6.005 -11.713 6.701 180 HA VAL 22 HA VAL 22 5.038 -9.150 7.474 181 HB VAL 22 HB VAL 22 6.789 -10.058 5.197 182 HG11 VAL 22 1HG1 VAL 22 5.674 -8.151 4.329 183 HG12 VAL 22 2HG1 VAL 22 5.834 -7.280 5.855 184 HG13 VAL 22 3HG1 VAL 22 7.262 -7.607 4.872 185 HG21 VAL 22 3HG2 VAL 22 7.241 -8.716 7.842 186 HG22 VAL 22 1HG2 VAL 22 7.984 -10.180 7.199 187 HG23 VAL 22 2HG2 VAL 22 8.428 -8.605 6.542 188 H ALA 23 HN ALA 23 4.711 -11.007 4.447 189 HA ALA 23 HA ALA 23 3.082 -9.295 3.037 190 HB1 ALA 23 1HB ALA 23 3.204 -12.298 3.073 191 HB2 ALA 23 2HB ALA 23 2.170 -11.406 1.956 192 HB3 ALA 23 3HB ALA 23 3.919 -11.182 1.909 193 H ARG 24 HN ARG 24 2.023 -11.922 5.204 194 HA ARG 24 HA ARG 24 -0.726 -11.439 4.984 195 HB2 ARG 24 2HB ARG 24 -0.990 -13.021 6.624 196 HB3 ARG 24 3HB ARG 24 0.649 -13.394 6.108 197 HG2 ARG 24 2HG ARG 24 1.574 -12.222 7.979 198 HG3 ARG 24 3HG ARG 24 -0.018 -11.620 8.445 199 HD2 ARG 24 2HD ARG 24 0.340 -14.558 8.213 200 HD3 ARG 24 3HD ARG 24 1.086 -13.748 9.589 201 HE ARG 24 HE ARG 24 -1.603 -12.930 9.324 202 HH11 ARG 24 2HH1 ARG 24 0.334 -15.655 10.294 203 HH12 ARG 24 1HH1 ARG 24 -0.852 -16.272 11.397 204 HH21 ARG 24 2HH2 ARG 24 -3.172 -13.731 10.773 205 HH22 ARG 24 1HH2 ARG 24 -2.846 -15.177 11.668 206 H ARG 25 HN ARG 25 1.616 -10.291 7.402 207 HA ARG 25 HA ARG 25 -0.112 -8.875 9.040 208 HB2 ARG 25 2HB ARG 25 2.149 -9.188 9.731 209 HB3 ARG 25 3HB ARG 25 2.768 -8.365 8.305 210 HG2 ARG 25 2HG ARG 25 2.229 -6.269 9.118 211 HG3 ARG 25 3HG ARG 25 1.027 -6.904 10.243 212 HD2 ARG 25 2HD ARG 25 3.940 -7.565 10.524 213 HD3 ARG 25 3HD ARG 25 3.267 -6.078 11.192 214 HE ARG 25 HE ARG 25 3.053 -8.663 12.305 215 HH11 ARG 25 2HH1 ARG 25 1.198 -5.765 11.777 216 HH12 ARG 25 1HH1 ARG 25 0.172 -6.015 13.151 217 HH21 ARG 25 2HH2 ARG 25 1.710 -9.004 14.116 218 HH22 ARG 25 1HH2 ARG 25 0.465 -7.857 14.481 219 H ILE 26 HN ILE 26 1.421 -7.891 6.017 220 HA ILE 26 HA ILE 26 0.578 -5.185 6.109 221 HB ILE 26 HB ILE 26 1.406 -6.924 3.787 222 HG12 ILE 26 2HG1 ILE 26 2.909 -4.620 5.013 223 HG13 ILE 26 3HG1 ILE 26 3.050 -6.255 5.651 224 HG21 ILE 26 1HG2 ILE 26 1.701 -4.697 2.610 225 HG22 ILE 26 2HG2 ILE 26 0.044 -5.263 2.819 226 HG23 ILE 26 3HG2 ILE 26 0.686 -4.007 3.877 227 HD11 ILE 26 3HD1 ILE 26 3.603 -5.553 2.784 228 HD12 ILE 26 1HD1 ILE 26 4.837 -5.557 4.044 229 HD13 ILE 26 2HD1 ILE 26 3.992 -7.050 3.631 230 H LEU 27 HN LEU 27 -0.568 -7.811 3.978 231 HA LEU 27 HA LEU 27 -2.764 -6.592 2.903 232 HB2 LEU 27 2HB LEU 27 -2.249 -9.443 3.661 233 HB3 LEU 27 3HB LEU 27 -3.784 -8.966 2.937 234 HG LEU 27 HG LEU 27 -1.152 -8.391 1.604 235 HD11 LEU 27 1HD1 LEU 27 -1.120 -10.747 1.889 236 HD12 LEU 27 2HD1 LEU 27 -1.645 -10.437 0.235 237 HD13 LEU 27 3HD1 LEU 27 -2.826 -10.888 1.463 238 HD21 LEU 27 3HD2 LEU 27 -3.697 -7.542 1.065 239 HD22 LEU 27 1HD2 LEU 27 -3.541 -8.955 0.022 240 HD23 LEU 27 2HD2 LEU 27 -2.380 -7.634 -0.105 241 H ARG 28 HN ARG 28 -2.457 -8.025 6.093 242 HA ARG 28 HA ARG 28 -5.228 -7.882 6.746 243 HB2 ARG 28 2HB ARG 28 -3.876 -9.439 7.953 244 HB3 ARG 28 3HB ARG 28 -2.744 -8.181 8.431 245 HG2 ARG 28 2HG ARG 28 -5.575 -7.903 9.277 246 HG3 ARG 28 3HG ARG 28 -4.573 -9.111 10.084 247 HD2 ARG 28 2HD ARG 28 -2.892 -7.320 10.517 248 HD3 ARG 28 3HD ARG 28 -4.041 -6.153 9.865 249 HE ARG 28 HE ARG 28 -5.118 -6.198 11.869 250 HH11 ARG 28 2HH1 ARG 28 -3.278 -9.135 11.542 251 HH12 ARG 28 1HH1 ARG 28 -3.656 -9.703 13.134 252 HH21 ARG 28 2HH2 ARG 28 -5.623 -6.935 13.968 253 HH22 ARG 28 1HH2 ARG 28 -4.991 -8.451 14.513 254 H PHE 29 HN PHE 29 -2.422 -5.828 7.453 255 HA PHE 29 HA PHE 29 -3.652 -3.968 9.106 256 HB2 PHE 29 2HB PHE 29 -1.327 -3.781 8.969 257 HB3 PHE 29 3HB PHE 29 -1.333 -3.807 7.208 258 HD1 PHE 29 1HD PHE 29 -2.085 -1.736 10.169 259 HD2 PHE 29 2HD PHE 29 -1.482 -1.815 5.956 260 HE1 PHE 29 1HE PHE 29 -1.993 0.723 10.139 261 HE2 PHE 29 2HE PHE 29 -1.388 0.643 5.920 262 HZ PHE 29 HZ PHE 29 -1.643 1.916 8.013 263 H LEU 30 HN LEU 30 -3.740 -4.295 5.626 264 HA LEU 30 HA LEU 30 -5.105 -1.752 5.285 265 HB2 LEU 30 2HB LEU 30 -4.156 -3.888 3.403 266 HB3 LEU 30 3HB LEU 30 -5.218 -2.589 2.862 267 HG LEU 30 HG LEU 30 -2.669 -1.888 4.245 268 HD11 LEU 30 1HD1 LEU 30 -2.215 -1.901 1.451 269 HD12 LEU 30 2HD1 LEU 30 -2.769 -3.509 1.914 270 HD13 LEU 30 3HD1 LEU 30 -1.363 -2.799 2.707 271 HD21 LEU 30 3HD2 LEU 30 -2.958 -0.172 2.210 272 HD22 LEU 30 1HD2 LEU 30 -3.726 0.058 3.781 273 HD23 LEU 30 2HD2 LEU 30 -4.645 -0.630 2.443 274 H ARG 31 HN ARG 31 -5.847 -5.117 5.590 275 HA ARG 31 HA ARG 31 -8.538 -4.824 4.547 276 HB2 ARG 31 2HB ARG 31 -6.897 -7.100 5.585 277 HB3 ARG 31 3HB ARG 31 -8.648 -7.261 5.525 278 HG2 ARG 31 2HG ARG 31 -8.615 -6.808 3.129 279 HG3 ARG 31 3HG ARG 31 -6.861 -6.627 3.186 280 HD2 ARG 31 2HD ARG 31 -6.689 -8.958 3.997 281 HD3 ARG 31 3HD ARG 31 -8.436 -9.119 3.821 282 HE ARG 31 HE ARG 31 -7.349 -8.264 1.380 283 HH11 ARG 31 2HH1 ARG 31 -7.407 -11.062 3.450 284 HH12 ARG 31 1HH1 ARG 31 -7.196 -12.189 2.151 285 HH21 ARG 31 2HH2 ARG 31 -7.071 -9.737 -0.339 286 HH22 ARG 31 1HH2 ARG 31 -7.004 -11.434 -0.004 287 H GLU 32 HN GLU 32 -7.007 -4.154 7.423 288 HA GLU 32 HA GLU 32 -9.492 -4.528 8.963 289 HB2 GLU 32 2HB GLU 32 -6.607 -4.604 9.813 290 HB3 GLU 32 3HB GLU 32 -7.899 -4.331 10.973 291 HG2 GLU 32 2HG GLU 32 -7.549 -6.748 9.216 292 HG3 GLU 32 3HG GLU 32 -7.275 -6.658 10.955 293 H ARG 33 HN ARG 33 -6.577 -2.509 9.312 294 HA ARG 33 HA ARG 33 -7.861 -0.349 10.511 295 HB2 ARG 33 2HB ARG 33 -5.394 -0.226 8.768 296 HB3 ARG 33 3HB ARG 33 -5.868 0.938 9.998 297 HG2 ARG 33 2HG ARG 33 -5.319 -1.939 10.650 298 HG3 ARG 33 3HG ARG 33 -4.047 -0.716 10.610 299 HD2 ARG 33 2HD ARG 33 -4.642 -0.676 12.832 300 HD3 ARG 33 3HD ARG 33 -5.662 0.604 12.177 301 HE ARG 33 HE ARG 33 -7.494 -0.645 12.719 302 HH11 ARG 33 2HH1 ARG 33 -4.701 -2.723 12.650 303 HH12 ARG 33 1HH1 ARG 33 -5.552 -4.104 13.259 304 HH21 ARG 33 2HH2 ARG 33 -8.625 -2.457 13.520 305 HH22 ARG 33 1HH2 ARG 33 -7.784 -3.952 13.752 306 H VAL 34 HN VAL 34 -6.502 -0.190 7.225 307 HA VAL 34 HA VAL 34 -7.937 2.021 6.381 308 HB VAL 34 HB VAL 34 -7.046 -0.268 4.624 309 HG11 VAL 34 1HG1 VAL 34 -8.612 1.475 3.665 310 HG12 VAL 34 2HG1 VAL 34 -7.306 2.639 3.896 311 HG13 VAL 34 3HG1 VAL 34 -7.079 1.258 2.822 312 HG21 VAL 34 3HG2 VAL 34 -4.988 0.244 5.327 313 HG22 VAL 34 1HG2 VAL 34 -5.173 1.744 4.419 314 HG23 VAL 34 2HG2 VAL 34 -5.541 1.706 6.143 315 H ALA 35 HN ALA 35 -8.941 -1.288 6.649 316 HA ALA 35 HA ALA 35 -11.193 -1.136 4.914 317 HB1 ALA 35 1HB ALA 35 -10.234 -3.278 5.451 318 HB2 ALA 35 2HB ALA 35 -10.565 -3.038 7.167 319 HB3 ALA 35 3HB ALA 35 -11.899 -3.229 6.030 320 H THR 36 HN THR 36 -10.795 -0.846 8.431 321 HA THR 36 HA THR 36 -13.601 -0.141 8.746 322 HB THR 36 HB THR 36 -12.588 -1.616 10.420 323 HG1 THR 36 1HG THR 36 -13.184 0.953 11.507 324 HG21 THR 36 3HG2 THR 36 -10.472 0.316 10.315 325 HG22 THR 36 1HG2 THR 36 -10.501 -1.257 11.111 326 HG23 THR 36 2HG2 THR 36 -11.064 0.177 11.970 327 H LEU 37 HN LEU 37 -11.040 1.506 7.698 328 HA LEU 37 HA LEU 37 -11.509 3.931 9.265 329 HB2 LEU 37 2HB LEU 37 -9.400 3.070 7.324 330 HB3 LEU 37 3HB LEU 37 -9.618 4.776 7.708 331 HG LEU 37 HG LEU 37 -9.036 2.648 9.763 332 HD11 LEU 37 1HD1 LEU 37 -6.754 3.399 9.749 333 HD12 LEU 37 2HD1 LEU 37 -7.117 4.611 8.521 334 HD13 LEU 37 3HD1 LEU 37 -7.200 2.896 8.118 335 HD21 LEU 37 3HD2 LEU 37 -8.553 4.505 11.221 336 HD22 LEU 37 1HD2 LEU 37 -10.178 4.692 10.561 337 HD23 LEU 37 2HD2 LEU 37 -8.849 5.654 9.914 338 H GLU 38 HN GLU 38 -12.689 5.583 8.538 339 HA GLU 38 HA GLU 38 -14.158 5.357 6.113 340 HB2 GLU 38 2HB GLU 38 -15.273 6.483 7.844 341 HB3 GLU 38 3HB GLU 38 -13.883 7.499 8.202 342 HG2 GLU 38 2HG GLU 38 -15.421 8.912 7.159 343 HG3 GLU 38 3HG GLU 38 -14.232 8.533 5.914 344 H ASP 39 HN ASP 39 -11.228 7.002 7.047 345 HA ASP 39 HA ASP 39 -10.920 7.919 4.267 346 HB2 ASP 39 2HB ASP 39 -11.425 9.734 6.067 347 HB3 ASP 39 3HB ASP 39 -9.753 9.473 6.556 348 HA PRO 40 HA PRO 40 -7.251 5.433 4.618 349 HB2 PRO 40 2HB PRO 40 -6.297 5.974 2.135 350 HB3 PRO 40 3HB PRO 40 -7.629 4.850 2.428 351 HG2 PRO 40 2HG PRO 40 -7.723 7.709 1.546 352 HG3 PRO 40 3HG PRO 40 -8.660 6.324 0.955 353 HD2 PRO 40 2HD PRO 40 -9.671 8.129 2.702 354 HD3 PRO 40 3HD PRO 40 -10.146 6.418 2.715 355 H ARG 41 HN ARG 41 -7.407 8.836 4.002 356 HA ARG 41 HA ARG 41 -4.540 9.222 4.140 357 HB2 ARG 41 2HB ARG 41 -6.858 11.150 3.985 358 HB3 ARG 41 3HB ARG 41 -5.179 11.663 4.091 359 HG2 ARG 41 2HG ARG 41 -4.667 10.636 1.989 360 HG3 ARG 41 3HG ARG 41 -6.272 9.905 1.906 361 HD2 ARG 41 2HD ARG 41 -7.158 12.307 2.017 362 HD3 ARG 41 3HD ARG 41 -5.506 12.796 1.643 363 HE ARG 41 HE ARG 41 -6.508 10.841 -0.185 364 HH11 ARG 41 2HH1 ARG 41 -6.503 14.235 0.590 365 HH12 ARG 41 1HH1 ARG 41 -6.824 14.740 -1.036 366 HH21 ARG 41 2HH2 ARG 41 -6.931 11.493 -2.329 367 HH22 ARG 41 1HH2 ARG 41 -7.068 13.179 -2.696 368 H SER 42 HN SER 42 -5.583 7.917 6.399 369 HA SER 42 HA SER 42 -5.461 9.983 8.488 370 HB2 SER 42 2HB SER 42 -7.447 8.404 8.408 371 HB3 SER 42 3HB SER 42 -6.330 7.112 8.848 372 HG SER 42 HG SER 42 -6.290 7.830 10.828 373 H LEU 43 HN LEU 43 -4.225 6.757 7.659 374 HA LEU 43 HA LEU 43 -2.072 7.106 9.618 375 HB2 LEU 43 2HB LEU 43 -3.231 4.739 8.201 376 HB3 LEU 43 3HB LEU 43 -1.618 4.654 8.906 377 HG LEU 43 HG LEU 43 -2.809 5.433 11.081 378 HD11 LEU 43 1HD1 LEU 43 -4.959 5.978 10.293 379 HD12 LEU 43 2HD1 LEU 43 -5.144 4.451 11.154 380 HD13 LEU 43 3HD1 LEU 43 -5.100 4.469 9.391 381 HD21 LEU 43 3HD2 LEU 43 -3.417 3.032 11.559 382 HD22 LEU 43 1HD2 LEU 43 -1.775 3.306 10.975 383 HD23 LEU 43 2HD2 LEU 43 -3.008 2.681 9.879 384 H GLY 44 HN GLY 44 0.072 7.124 9.054 385 HA2 GLY 44 1HA GLY 44 1.927 6.954 7.629 386 HA3 GLY 44 2HA GLY 44 0.836 6.689 6.277 387 H GLU 45 HN GLU 45 2.390 8.227 5.262 388 HA GLU 45 HA GLU 45 1.483 10.987 5.731 389 HB2 GLU 45 2HB GLU 45 3.743 11.788 5.181 390 HB3 GLU 45 3HB GLU 45 3.740 10.773 6.616 391 HG2 GLU 45 2HG GLU 45 4.693 8.954 5.449 392 HG3 GLU 45 3HG GLU 45 4.421 9.725 3.887 393 HA PRO 46 HA PRO 46 0.543 11.142 1.445 394 HB2 PRO 46 2HB PRO 46 0.925 13.782 0.941 395 HB3 PRO 46 3HB PRO 46 -0.450 13.170 1.868 396 HG2 PRO 46 2HG PRO 46 2.112 14.369 2.847 397 HG3 PRO 46 3HG PRO 46 0.456 14.650 3.415 398 HD2 PRO 46 2HD PRO 46 2.180 13.009 4.706 399 HD3 PRO 46 3HD PRO 46 0.428 12.723 4.679 400 H LEU 47 HN LEU 47 1.624 10.672 -0.370 401 HA LEU 47 HA LEU 47 4.433 10.652 -0.478 402 HB2 LEU 47 2HB LEU 47 2.721 9.248 -1.782 403 HB3 LEU 47 3HB LEU 47 2.674 10.605 -2.907 404 HG LEU 47 HG LEU 47 5.095 10.314 -3.307 405 HD11 LEU 47 1HD1 LEU 47 4.806 8.479 -1.078 406 HD12 LEU 47 2HD1 LEU 47 6.256 9.216 -1.759 407 HD13 LEU 47 3HD1 LEU 47 5.606 7.736 -2.463 408 HD21 LEU 47 3HD2 LEU 47 3.731 7.685 -3.772 409 HD22 LEU 47 1HD2 LEU 47 4.853 8.557 -4.816 410 HD23 LEU 47 2HD2 LEU 47 3.205 9.148 -4.605 411 H ARG 48 HN ARG 48 5.872 12.150 -1.044 412 HA ARG 48 HA ARG 48 4.938 14.773 -1.841 413 HB2 ARG 48 2HB ARG 48 7.774 13.830 -1.385 414 HB3 ARG 48 3HB ARG 48 7.220 15.497 -1.474 415 HG2 ARG 48 2HG ARG 48 6.037 13.711 0.589 416 HG3 ARG 48 3HG ARG 48 7.671 14.334 0.831 417 HD2 ARG 48 2HD ARG 48 5.184 15.970 0.342 418 HD3 ARG 48 3HD ARG 48 6.029 15.791 1.879 419 HE ARG 48 HE ARG 48 7.820 16.765 -0.056 420 HH11 ARG 48 2HH1 ARG 48 5.041 17.766 1.785 421 HH12 ARG 48 1HH1 ARG 48 5.481 19.442 1.784 422 HH21 ARG 48 2HH2 ARG 48 8.411 18.968 -0.065 423 HH22 ARG 48 1HH2 ARG 48 7.398 20.125 0.730 424 H GLY 49 HN GLY 49 6.027 15.958 -3.613 425 HA2 GLY 49 1HA GLY 49 7.573 15.307 -5.618 426 HA3 GLY 49 2HA GLY 49 6.246 14.205 -5.954 427 HA PRO 50 HA PRO 50 5.518 18.729 -7.456 428 HB2 PRO 50 2HB PRO 50 6.689 18.681 -9.905 429 HB3 PRO 50 3HB PRO 50 7.532 19.218 -8.447 430 HG2 PRO 50 2HG PRO 50 7.644 16.566 -9.832 431 HG3 PRO 50 3HG PRO 50 8.967 17.527 -9.146 432 HD2 PRO 50 2HD PRO 50 7.885 15.407 -7.855 433 HD3 PRO 50 3HD PRO 50 8.536 16.818 -6.996 434 H GLU 51 HN GLU 51 5.505 15.590 -9.017 435 HA GLU 51 HA GLU 51 3.083 16.364 -10.504 436 HB2 GLU 51 2HB GLU 51 5.294 14.440 -11.102 437 HB3 GLU 51 3HB GLU 51 3.693 14.136 -11.761 438 HG2 GLU 51 2HG GLU 51 4.810 15.297 -13.440 439 HG3 GLU 51 3HG GLU 51 3.792 16.511 -12.667 440 H LEU 52 HN LEU 52 3.253 15.522 -7.687 441 HA LEU 52 HA LEU 52 1.335 13.318 -7.853 442 HB2 LEU 52 2HB LEU 52 3.619 13.381 -5.887 443 HB3 LEU 52 3HB LEU 52 2.361 12.150 -5.994 444 HG LEU 52 HG LEU 52 3.333 11.857 -8.431 445 HD11 LEU 52 1HD1 LEU 52 5.434 12.577 -8.832 446 HD12 LEU 52 2HD1 LEU 52 5.927 12.425 -7.146 447 HD13 LEU 52 3HD1 LEU 52 4.989 13.825 -7.667 448 HD21 LEU 52 3HD2 LEU 52 4.952 10.758 -6.160 449 HD22 LEU 52 1HD2 LEU 52 4.476 9.976 -7.667 450 HD23 LEU 52 2HD2 LEU 52 3.275 10.270 -6.410 451 H GLY 53 HN GLY 53 0.289 12.973 -5.618 452 HA2 GLY 53 1HA GLY 53 0.273 14.864 -3.602 453 HA3 GLY 53 2HA GLY 53 -0.846 15.460 -4.818 454 H ARG 54 HN ARG 54 -1.816 12.915 -5.674 455 HA ARG 54 HA ARG 54 -3.793 12.496 -3.643 456 HB2 ARG 54 2HB ARG 54 -3.972 12.329 -6.264 457 HB3 ARG 54 3HB ARG 54 -3.480 10.664 -5.985 458 HG2 ARG 54 2HG ARG 54 -5.440 10.105 -4.968 459 HG3 ARG 54 3HG ARG 54 -5.721 11.739 -4.365 460 HD2 ARG 54 2HD ARG 54 -7.342 11.269 -6.066 461 HD3 ARG 54 3HD ARG 54 -6.198 12.453 -6.698 462 HE ARG 54 HE ARG 54 -5.289 9.928 -7.438 463 HH11 ARG 54 2HH1 ARG 54 -8.015 12.008 -8.043 464 HH12 ARG 54 1HH1 ARG 54 -8.305 11.383 -9.633 465 HH21 ARG 54 2HH2 ARG 54 -5.661 9.097 -9.530 466 HH22 ARG 54 1HH2 ARG 54 -6.966 9.727 -10.477 467 H PHE 55 HN PHE 55 -1.301 10.426 -5.125 468 HA PHE 55 HA PHE 55 -1.648 8.091 -3.789 469 HB2 PHE 55 2HB PHE 55 1.081 9.332 -4.161 470 HB3 PHE 55 3HB PHE 55 0.677 7.619 -4.126 471 HD1 PHE 55 2HD PHE 55 0.434 10.717 -6.099 472 HD2 PHE 55 1HD PHE 55 -0.099 6.494 -6.064 473 HE1 PHE 55 2HE PHE 55 0.189 10.731 -8.547 474 HE2 PHE 55 1HE PHE 55 -0.343 6.501 -8.513 475 HZ PHE 55 HZ PHE 55 -0.201 8.621 -9.757 476 H TRP 56 HN TRP 56 -0.551 7.145 -1.919 477 HA TRP 56 HA TRP 56 0.116 9.075 0.187 478 HB2 TRP 56 2HB TRP 56 -2.319 8.249 0.290 479 HB3 TRP 56 3HB TRP 56 -1.638 6.695 0.761 480 HD1 TRP 56 1HD TRP 56 -0.736 6.449 3.221 481 HE1 TRP 56 1HE TRP 56 -0.871 7.950 5.308 482 HE3 TRP 56 3HE TRP 56 -2.317 10.777 1.006 483 HZ2 TRP 56 2HZ TRP 56 -1.556 10.616 5.932 484 HZ3 TRP 56 3HZ TRP 56 -2.689 12.757 2.419 485 HH2 TRP 56 2HH TRP 56 -2.317 12.676 4.830 486 H LYS 57 HN LYS 57 0.974 7.843 2.180 487 HA LYS 57 HA LYS 57 2.509 5.477 1.359 488 HB2 LYS 57 2HB LYS 57 3.870 7.613 1.210 489 HB3 LYS 57 3HB LYS 57 3.711 7.737 2.958 490 HG2 LYS 57 2HG LYS 57 4.904 5.682 3.272 491 HG3 LYS 57 3HG LYS 57 4.926 5.379 1.534 492 HD2 LYS 57 2HD LYS 57 6.381 7.522 3.067 493 HD3 LYS 57 3HD LYS 57 7.070 6.219 2.094 494 HE2 LYS 57 2HE LYS 57 5.881 7.275 0.114 495 HE3 LYS 57 3HE LYS 57 5.594 8.667 1.157 496 HZ1 LYS 57 3HZ LYS 57 8.321 7.843 1.224 497 HZ2 LYS 57 1HZ LYS 57 7.667 9.361 0.862 498 HZ3 LYS 57 2HZ LYS 57 7.828 8.197 -0.355 499 H TYR 58 HN TYR 58 1.870 3.897 2.664 500 HA TYR 58 HA TYR 58 1.047 4.510 5.398 501 HB2 TYR 58 2HB TYR 58 0.826 1.983 3.752 502 HB3 TYR 58 3HB TYR 58 0.272 2.131 5.416 503 HD1 TYR 58 1HD TYR 58 -1.070 4.672 5.524 504 HD2 TYR 58 2HD TYR 58 -1.017 1.818 2.369 505 HE1 TYR 58 1HE TYR 58 -3.238 5.519 4.730 506 HE2 TYR 58 2HE TYR 58 -3.185 2.657 1.566 507 HH TYR 58 HH TYR 58 -4.411 5.314 2.016 508 H ARG 59 HN ARG 59 2.105 3.835 7.191 509 HA ARG 59 HA ARG 59 4.730 2.586 6.770 510 HB2 ARG 59 2HB ARG 59 4.324 4.877 7.994 511 HB3 ARG 59 3HB ARG 59 3.912 3.846 9.358 512 HG2 ARG 59 2HG ARG 59 6.126 2.752 9.134 513 HG3 ARG 59 3HG ARG 59 6.528 3.920 7.873 514 HD2 ARG 59 2HD ARG 59 6.000 5.723 9.574 515 HD3 ARG 59 3HD ARG 59 5.975 4.440 10.784 516 HE ARG 59 HE ARG 59 8.372 4.444 9.219 517 HH11 ARG 59 2HH1 ARG 59 6.772 5.889 11.953 518 HH12 ARG 59 1HH1 ARG 59 8.247 6.333 12.747 519 HH21 ARG 59 2HH2 ARG 59 10.320 5.024 10.254 520 HH22 ARG 59 1HH2 ARG 59 10.264 5.841 11.779 521 H VAL 60 HN VAL 60 4.993 0.533 7.322 522 HA VAL 60 HA VAL 60 3.236 -0.608 9.396 523 HB VAL 60 HB VAL 60 4.132 -1.827 6.794 524 HG11 VAL 60 1HG1 VAL 60 2.668 -3.773 8.073 525 HG12 VAL 60 2HG1 VAL 60 4.422 -3.762 7.874 526 HG13 VAL 60 3HG1 VAL 60 3.698 -3.140 9.357 527 HG21 VAL 60 3HG2 VAL 60 1.662 -2.377 6.705 528 HG22 VAL 60 1HG2 VAL 60 1.470 -1.313 8.099 529 HG23 VAL 60 2HG2 VAL 60 2.081 -0.669 6.575 530 H GLY 61 HN GLY 61 4.761 -0.335 11.037 531 HA2 GLY 61 1HA GLY 61 6.535 -0.931 12.365 532 HA3 GLY 61 2HA GLY 61 6.547 -2.441 11.465 533 H ASP 62 HN ASP 62 8.161 -2.831 10.054 534 HA ASP 62 HA ASP 62 10.104 -0.656 9.631 535 HB2 ASP 62 2HB ASP 62 10.694 -3.619 9.577 536 HB3 ASP 62 3HB ASP 62 11.856 -2.296 9.582 537 H TYR 63 HN TYR 63 7.822 -1.085 7.964 538 HA TYR 63 HA TYR 63 9.209 -1.547 5.434 539 HB2 TYR 63 2HB TYR 63 6.645 -2.923 6.251 540 HB3 TYR 63 3HB TYR 63 7.230 -2.852 4.593 541 HD1 TYR 63 1HD TYR 63 8.394 -3.864 7.997 542 HD2 TYR 63 2HD TYR 63 8.524 -4.599 3.808 543 HE1 TYR 63 1HE TYR 63 9.755 -5.873 8.398 544 HE2 TYR 63 2HE TYR 63 9.884 -6.611 4.198 545 HH TYR 63 HH TYR 63 10.679 -7.684 7.482 546 H ARG 64 HN ARG 64 8.424 -0.355 3.718 547 HA ARG 64 HA ARG 64 6.359 1.629 4.409 548 HB2 ARG 64 2HB ARG 64 8.854 1.808 2.752 549 HB3 ARG 64 3HB ARG 64 7.517 2.911 2.455 550 HG2 ARG 64 2HG ARG 64 8.817 2.562 5.144 551 HG3 ARG 64 3HG ARG 64 9.306 3.783 3.967 552 HD2 ARG 64 2HD ARG 64 6.841 4.491 3.974 553 HD3 ARG 64 3HD ARG 64 6.706 3.530 5.446 554 HE ARG 64 HE ARG 64 8.853 5.186 5.861 555 HH11 ARG 64 2HH1 ARG 64 5.480 5.603 5.108 556 HH12 ARG 64 1HH1 ARG 64 5.353 7.127 5.922 557 HH21 ARG 64 2HH2 ARG 64 8.699 7.192 6.935 558 HH22 ARG 64 1HH2 ARG 64 7.184 8.031 6.960 559 H LEU 65 HN LEU 65 4.617 1.868 3.117 560 HA LEU 65 HA LEU 65 4.560 0.362 0.589 561 HB2 LEU 65 2HB LEU 65 2.154 0.635 2.356 562 HB3 LEU 65 3HB LEU 65 2.421 -0.484 1.021 563 HG LEU 65 HG LEU 65 3.841 -0.619 3.679 564 HD11 LEU 65 1HD1 LEU 65 1.207 -1.172 3.270 565 HD12 LEU 65 2HD1 LEU 65 2.220 -1.926 4.500 566 HD13 LEU 65 3HD1 LEU 65 1.956 -2.737 2.957 567 HD21 LEU 65 3HD2 LEU 65 4.007 -2.133 1.138 568 HD22 LEU 65 1HD2 LEU 65 4.086 -3.057 2.638 569 HD23 LEU 65 2HD2 LEU 65 5.256 -1.774 2.331 570 H ILE 66 HN ILE 66 3.399 1.271 -1.094 571 HA ILE 66 HA ILE 66 2.231 3.927 -0.614 572 HB ILE 66 HB ILE 66 3.847 3.329 -3.079 573 HG12 ILE 66 2HG1 ILE 66 4.780 4.536 -0.470 574 HG13 ILE 66 3HG1 ILE 66 5.396 3.083 -1.249 575 HG21 ILE 66 1HG2 ILE 66 2.095 5.256 -2.771 576 HG22 ILE 66 2HG2 ILE 66 3.417 6.029 -1.898 577 HG23 ILE 66 3HG2 ILE 66 3.631 5.557 -3.584 578 HD11 ILE 66 3HD1 ILE 66 6.730 4.239 -2.627 579 HD12 ILE 66 1HD1 ILE 66 5.545 5.521 -2.872 580 HD13 ILE 66 2HD1 ILE 66 6.547 5.512 -1.421 581 H CYS 67 HN CYS 67 0.172 3.891 -1.196 582 HA CYS 67 HA CYS 67 -0.614 2.218 -3.492 583 HB2 CYS 67 2HB CYS 67 -2.500 3.036 -1.296 584 HB3 CYS 67 3HB CYS 67 -2.671 1.726 -2.457 585 HG CYS 67 HG CYS 67 -1.792 1.421 0.560 586 H HIS 68 HN HIS 68 -2.610 3.004 -4.614 587 HA HIS 68 HA HIS 68 -2.526 5.940 -4.823 588 HB2 HIS 68 2HB HIS 68 -1.818 4.577 -6.830 589 HB3 HIS 68 3HB HIS 68 -3.480 4.007 -6.939 590 HD2 HIS 68 2HD HIS 68 -2.680 7.780 -6.244 591 HE1 HIS 68 1HE HIS 68 -4.406 7.425 -10.103 592 HE2 HIS 68 2HE HIS 68 -3.529 9.011 -8.355 593 H ILE 69 HN ILE 69 -4.161 6.773 -3.685 594 HA ILE 69 HA ILE 69 -6.650 5.392 -3.316 595 HB ILE 69 HB ILE 69 -5.919 8.240 -2.625 596 HG12 ILE 69 2HG1 ILE 69 -6.062 5.885 -0.748 597 HG13 ILE 69 3HG1 ILE 69 -4.571 6.334 -1.568 598 HG21 ILE 69 1HG2 ILE 69 -8.039 8.518 -2.037 599 HG22 ILE 69 2HG2 ILE 69 -8.415 6.888 -2.593 600 HG23 ILE 69 3HG2 ILE 69 -7.912 7.156 -0.924 601 HD11 ILE 69 3HD1 ILE 69 -6.147 8.030 0.351 602 HD12 ILE 69 1HD1 ILE 69 -4.592 7.254 0.650 603 HD13 ILE 69 2HD1 ILE 69 -4.714 8.562 -0.527 604 H GLN 70 HN GLN 70 -8.419 5.501 -4.534 605 HA GLN 70 HA GLN 70 -8.569 7.616 -6.579 606 HB2 GLN 70 2HB GLN 70 -9.460 4.744 -6.613 607 HB3 GLN 70 3HB GLN 70 -10.133 5.922 -7.731 608 HG2 GLN 70 2HG GLN 70 -7.667 6.429 -8.309 609 HG3 GLN 70 3HG GLN 70 -7.344 4.871 -7.552 610 HE21 GLN 70 1HE2 GLN 70 -6.635 5.015 -10.066 611 HE22 GLN 70 2HE2 GLN 70 -7.742 4.196 -11.108 612 H ASP 71 HN ASP 71 -9.805 9.149 -5.624 613 HA ASP 71 HA ASP 71 -11.934 8.718 -3.865 614 HB2 ASP 71 2HB ASP 71 -11.476 11.047 -5.742 615 HB3 ASP 71 3HB ASP 71 -12.587 11.045 -4.375 616 H ARG 72 HN ARG 72 -11.836 8.877 -7.375 617 HA ARG 72 HA ARG 72 -14.395 9.217 -8.143 618 HB2 ARG 72 2HB ARG 72 -12.481 7.104 -9.143 619 HB3 ARG 72 3HB ARG 72 -13.972 7.548 -9.964 620 HG2 ARG 72 2HG ARG 72 -12.041 9.708 -9.316 621 HG3 ARG 72 3HG ARG 72 -11.646 8.596 -10.629 622 HD2 ARG 72 2HD ARG 72 -13.570 9.190 -11.849 623 HD3 ARG 72 3HD ARG 72 -14.307 9.977 -10.454 624 HE ARG 72 HE ARG 72 -12.016 11.390 -10.907 625 HH11 ARG 72 2HH1 ARG 72 -14.798 10.527 -12.813 626 HH12 ARG 72 1HH1 ARG 72 -14.727 11.950 -13.799 627 HH21 ARG 72 2HH2 ARG 72 -11.911 13.267 -12.199 628 HH22 ARG 72 1HH2 ARG 72 -13.084 13.508 -13.449 629 H GLU 73 HN GLU 73 -13.084 6.025 -7.227 630 HA GLU 73 HA GLU 73 -15.823 5.236 -6.476 631 HB2 GLU 73 2HB GLU 73 -13.683 3.734 -7.935 632 HB3 GLU 73 3HB GLU 73 -14.841 2.850 -6.951 633 HG2 GLU 73 2HG GLU 73 -15.609 4.752 -9.150 634 HG3 GLU 73 3HG GLU 73 -15.434 3.011 -9.360 635 H ALA 74 HN ALA 74 -13.342 6.338 -5.014 636 HA ALA 74 HA ALA 74 -12.221 6.013 -3.050 637 HB1 ALA 74 1HB ALA 74 -13.686 5.948 -1.366 638 HB2 ALA 74 2HB ALA 74 -14.921 5.786 -2.614 639 HB3 ALA 74 3HB ALA 74 -14.274 4.349 -1.823 640 H THR 75 HN THR 75 -11.224 4.295 -4.838 641 HA THR 75 HA THR 75 -10.982 1.755 -3.360 642 HB THR 75 HB THR 75 -10.770 2.228 -6.337 643 HG1 THR 75 1HG THR 75 -12.707 1.332 -6.405 644 HG21 THR 75 3HG2 THR 75 -10.705 -0.486 -5.958 645 HG22 THR 75 1HG2 THR 75 -9.694 0.102 -4.638 646 HG23 THR 75 2HG2 THR 75 -9.303 0.527 -6.304 647 H VAL 76 HN VAL 76 -9.020 1.236 -2.630 648 HA VAL 76 HA VAL 76 -6.755 2.915 -3.438 649 HB VAL 76 HB VAL 76 -6.893 1.012 -1.099 650 HG11 VAL 76 1HG1 VAL 76 -4.678 1.386 -1.183 651 HG12 VAL 76 2HG1 VAL 76 -4.855 2.817 -2.201 652 HG13 VAL 76 3HG1 VAL 76 -5.095 2.938 -0.458 653 HG21 VAL 76 3HG2 VAL 76 -8.104 2.491 0.033 654 HG22 VAL 76 1HG2 VAL 76 -6.935 3.762 -0.325 655 HG23 VAL 76 2HG2 VAL 76 -8.268 3.452 -1.436 656 H LEU 77 HN LEU 77 -5.270 2.135 -4.771 657 HA LEU 77 HA LEU 77 -4.975 -0.789 -4.993 658 HB2 LEU 77 2HB LEU 77 -5.895 0.016 -7.024 659 HB3 LEU 77 3HB LEU 77 -4.764 1.367 -7.078 660 HG LEU 77 HG LEU 77 -2.997 -0.610 -7.229 661 HD11 LEU 77 1HD1 LEU 77 -4.411 -2.134 -9.010 662 HD12 LEU 77 2HD1 LEU 77 -5.579 -1.879 -7.714 663 HD13 LEU 77 3HD1 LEU 77 -4.008 -2.597 -7.357 664 HD21 LEU 77 3HD2 LEU 77 -3.323 1.221 -8.841 665 HD22 LEU 77 1HD2 LEU 77 -4.652 0.321 -9.573 666 HD23 LEU 77 2HD2 LEU 77 -3.012 -0.324 -9.636 667 H VAL 78 HN VAL 78 -3.127 -1.489 -4.174 668 HA VAL 78 HA VAL 78 -0.986 0.149 -3.404 669 HB VAL 78 HB VAL 78 -0.903 -2.820 -3.954 670 HG11 VAL 78 1HG1 VAL 78 0.768 -1.590 -1.856 671 HG12 VAL 78 2HG1 VAL 78 1.132 -2.905 -2.976 672 HG13 VAL 78 3HG1 VAL 78 1.221 -1.230 -3.522 673 HG21 VAL 78 3HG2 VAL 78 -2.588 -2.647 -2.384 674 HG22 VAL 78 1HG2 VAL 78 -1.161 -2.808 -1.360 675 HG23 VAL 78 2HG2 VAL 78 -1.880 -1.220 -1.626 676 H LEU 79 HN LEU 79 0.928 0.693 -4.342 677 HA LEU 79 HA LEU 79 1.228 0.000 -7.186 678 HB2 LEU 79 2HB LEU 79 1.949 2.429 -5.595 679 HB3 LEU 79 3HB LEU 79 2.790 2.069 -7.102 680 HG LEU 79 HG LEU 79 -0.200 2.386 -6.908 681 HD11 LEU 79 1HD1 LEU 79 1.811 4.453 -7.779 682 HD12 LEU 79 2HD1 LEU 79 0.989 4.451 -6.218 683 HD13 LEU 79 3HD1 LEU 79 0.058 4.633 -7.705 684 HD21 LEU 79 3HD2 LEU 79 -0.107 2.589 -9.296 685 HD22 LEU 79 1HD2 LEU 79 0.729 1.109 -8.828 686 HD23 LEU 79 2HD2 LEU 79 1.657 2.540 -9.278 687 H ARG 80 HN ARG 80 3.166 0.714 -4.281 688 HA ARG 80 HA ARG 80 5.087 -1.323 -5.165 689 HB2 ARG 80 2HB ARG 80 5.790 1.140 -5.599 690 HB3 ARG 80 3HB ARG 80 6.034 1.208 -3.859 691 HG2 ARG 80 2HG ARG 80 8.117 0.732 -4.985 692 HG3 ARG 80 3HG ARG 80 7.617 -0.655 -4.016 693 HD2 ARG 80 2HD ARG 80 7.081 -1.923 -5.870 694 HD3 ARG 80 3HD ARG 80 6.839 -0.509 -6.894 695 HE ARG 80 HE ARG 80 9.554 -0.828 -6.025 696 HH11 ARG 80 2HH1 ARG 80 7.190 -1.783 -8.396 697 HH12 ARG 80 1HH1 ARG 80 8.369 -2.179 -9.603 698 HH21 ARG 80 2HH2 ARG 80 11.115 -1.346 -7.605 699 HH22 ARG 80 1HH2 ARG 80 10.602 -1.931 -9.151 700 H VAL 81 HN VAL 81 6.274 -2.333 -3.482 701 HA VAL 81 HA VAL 81 5.523 -1.723 -0.733 702 HB VAL 81 HB VAL 81 4.993 -4.403 -2.019 703 HG11 VAL 81 1HG1 VAL 81 4.097 -4.466 0.617 704 HG12 VAL 81 2HG1 VAL 81 5.482 -5.328 -0.055 705 HG13 VAL 81 3HG1 VAL 81 5.706 -3.750 0.702 706 HG21 VAL 81 3HG2 VAL 81 3.181 -2.890 -2.380 707 HG22 VAL 81 1HG2 VAL 81 2.701 -3.996 -1.093 708 HG23 VAL 81 2HG2 VAL 81 3.216 -2.356 -0.699 709 H GLY 82 HN GLY 82 7.390 -1.597 0.317 710 HA2 GLY 82 1HA GLY 82 9.282 -3.783 0.191 711 HA3 GLY 82 2HA GLY 82 9.884 -2.270 -0.468 712 H HIS 83 HN HIS 83 10.988 -3.625 1.762 713 HA HIS 83 HA HIS 83 10.219 -2.861 4.272 714 HB2 HIS 83 2HB HIS 83 12.198 -4.297 3.668 715 HB3 HIS 83 3HB HIS 83 13.089 -2.817 3.326 716 HD2 HIS 83 2HD HIS 83 12.210 -5.060 6.287 717 HE1 HIS 83 1HE HIS 83 13.880 -1.504 7.886 718 HE2 HIS 83 2HE HIS 83 13.225 -3.890 8.358 719 H ALA 84 HN ALA 84 11.057 -1.163 5.705 720 HA ALA 84 HA ALA 84 10.413 1.378 4.928 721 HB1 ALA 84 1HB ALA 84 11.835 0.190 7.177 722 HB2 ALA 84 2HB ALA 84 12.331 1.848 6.837 723 HB3 ALA 84 3HB ALA 84 10.634 1.482 7.148 724 H ARG 85 HN ARG 85 13.717 0.046 5.103 725 HA ARG 85 HA ARG 85 14.791 2.365 3.740 726 HB2 ARG 85 2HB ARG 85 16.962 1.228 4.002 727 HB3 ARG 85 3HB ARG 85 16.096 1.358 5.526 728 HG2 ARG 85 2HG ARG 85 16.738 -0.799 5.700 729 HG3 ARG 85 3HG ARG 85 15.251 -1.057 4.785 730 HD2 ARG 85 2HD ARG 85 17.747 -0.538 3.263 731 HD3 ARG 85 3HD ARG 85 17.575 -2.109 4.044 732 HE ARG 85 HE ARG 85 15.226 -1.544 2.620 733 HH11 ARG 85 2HH1 ARG 85 18.580 -2.289 2.056 734 HH12 ARG 85 1HH1 ARG 85 18.290 -3.042 0.522 735 HH21 ARG 85 2HH2 ARG 85 14.831 -2.532 0.603 736 HH22 ARG 85 1HH2 ARG 85 16.157 -3.179 -0.304 737 H ASP 86 HN ASP 86 12.880 0.483 2.407 738 HA ASP 86 HA ASP 86 14.584 -0.424 0.185 739 HB2 ASP 86 2HB ASP 86 13.135 -2.126 1.347 740 HB3 ASP 86 3HB ASP 86 11.731 -1.245 0.751 741 H VAL 87 HN VAL 87 11.655 1.377 0.983 742 HA VAL 87 HA VAL 87 11.161 2.120 -1.760 743 HB VAL 87 HB VAL 87 9.912 3.201 0.770 744 HG11 VAL 87 1HG1 VAL 87 9.791 4.579 -1.381 745 HG12 VAL 87 2HG1 VAL 87 8.746 3.296 -1.994 746 HG13 VAL 87 3HG1 VAL 87 8.273 4.211 -0.562 747 HG21 VAL 87 3HG2 VAL 87 7.996 1.681 -0.333 748 HG22 VAL 87 1HG2 VAL 87 9.422 0.777 -0.844 749 HG23 VAL 87 2HG2 VAL 87 9.135 1.077 0.870 750 H TYR 88 HN TYR 88 12.121 3.730 -2.795 751 HA TYR 88 HA TYR 88 14.148 5.301 -1.951 752 HB2 TYR 88 2HB TYR 88 13.796 5.495 -4.216 753 HB3 TYR 88 3HB TYR 88 12.055 5.683 -4.040 754 HD1 TYR 88 1HD TYR 88 11.193 7.908 -3.109 755 HD2 TYR 88 2HD TYR 88 15.165 7.365 -4.535 756 HE1 TYR 88 1HE TYR 88 11.425 10.342 -3.372 757 HE2 TYR 88 2HE TYR 88 15.409 9.798 -4.800 758 HH TYR 88 HH TYR 88 14.465 11.786 -4.510 759 H ARG 89 HN ARG 89 14.421 7.386 -1.121 760 HA ARG 89 HA ARG 89 12.254 8.248 0.632 761 HB2 ARG 89 2HB ARG 89 14.571 7.927 1.513 762 HB3 ARG 89 3HB ARG 89 15.098 9.258 0.492 763 HG2 ARG 89 2HG ARG 89 13.468 10.721 1.687 764 HG3 ARG 89 3HG ARG 89 13.166 9.379 2.793 765 HD2 ARG 89 2HD ARG 89 14.787 10.474 3.965 766 HD3 ARG 89 3HD ARG 89 15.801 9.414 2.987 767 HE ARG 89 HE ARG 89 15.468 11.744 1.534 768 HH11 ARG 89 2HH1 ARG 89 16.822 10.806 4.601 769 HH12 ARG 89 1HH1 ARG 89 18.006 12.071 4.613 770 HH21 ARG 89 2HH2 ARG 89 17.023 13.413 1.538 771 HH22 ARG 89 1HH2 ARG 89 18.118 13.554 2.871 Start of MODEL 18 1 H1 MET 1 HN MET 1 -15.948 -2.608 3.347 2 HA MET 1 HA MET 1 -17.619 -0.399 4.152 3 HB2 MET 1 2HB MET 1 -15.483 -2.007 5.538 4 HB3 MET 1 3HB MET 1 -16.217 -0.595 6.287 5 HG2 MET 1 2HG MET 1 -18.450 -1.733 5.887 6 HG3 MET 1 3HG MET 1 -17.520 -3.185 5.523 7 HE1 MET 1 3HE MET 1 -19.611 -3.158 8.557 8 HE2 MET 1 1HE MET 1 -19.180 -4.022 7.081 9 HE3 MET 1 2HE MET 1 -18.538 -4.557 8.634 10 H GLY 2 HN GLY 2 -17.019 1.369 2.917 11 HA2 GLY 2 1HA GLY 2 -15.849 3.426 2.987 12 HA3 GLY 2 2HA GLY 2 -14.482 2.595 3.715 13 H TYR 3 HN TYR 3 -12.788 2.223 2.451 14 HA TYR 3 HA TYR 3 -13.109 2.594 -0.436 15 HB2 TYR 3 2HB TYR 3 -10.723 2.709 1.401 16 HB3 TYR 3 3HB TYR 3 -10.547 2.657 -0.350 17 HD1 TYR 3 2HD TYR 3 -12.494 4.562 2.217 18 HD2 TYR 3 1HD TYR 3 -10.308 4.675 -1.432 19 HE1 TYR 3 2HE TYR 3 -12.794 7.001 2.119 20 HE2 TYR 3 1HE TYR 3 -10.601 7.115 -1.539 21 HH TYR 3 HH TYR 3 -11.959 8.845 -0.689 22 H ARG 4 HN ARG 4 -12.135 1.147 -1.934 23 HA ARG 4 HA ARG 4 -12.273 -1.616 -1.062 24 HB2 ARG 4 2HB ARG 4 -13.394 -0.995 -3.132 25 HB3 ARG 4 3HB ARG 4 -11.881 -0.400 -3.802 26 HG2 ARG 4 2HG ARG 4 -12.076 -2.466 -4.795 27 HG3 ARG 4 3HG ARG 4 -11.045 -2.821 -3.408 28 HD2 ARG 4 2HD ARG 4 -12.722 -4.523 -3.549 29 HD3 ARG 4 3HD ARG 4 -13.081 -3.509 -2.152 30 HE ARG 4 HE ARG 4 -14.527 -2.445 -4.238 31 HH11 ARG 4 2HH1 ARG 4 -14.336 -5.511 -2.600 32 HH12 ARG 4 1HH1 ARG 4 -15.996 -5.915 -2.886 33 HH21 ARG 4 2HH2 ARG 4 -16.714 -2.966 -4.621 34 HH22 ARG 4 1HH2 ARG 4 -17.348 -4.467 -4.036 35 H ILE 5 HN ILE 5 -10.617 -3.142 -1.320 36 HA ILE 5 HA ILE 5 -7.925 -1.976 -1.292 37 HB ILE 5 HB ILE 5 -8.656 -4.778 -0.463 38 HG12 ILE 5 2HG1 ILE 5 -9.988 -3.319 0.917 39 HG13 ILE 5 3HG1 ILE 5 -8.627 -3.889 1.877 40 HG21 ILE 5 1HG2 ILE 5 -6.507 -5.014 0.082 41 HG22 ILE 5 2HG2 ILE 5 -6.218 -3.552 -0.860 42 HG23 ILE 5 3HG2 ILE 5 -6.456 -3.444 0.884 43 HD11 ILE 5 3HD1 ILE 5 -7.471 -1.750 1.404 44 HD12 ILE 5 1HD1 ILE 5 -8.932 -1.188 0.591 45 HD13 ILE 5 2HD1 ILE 5 -8.970 -1.566 2.314 46 H GLU 6 HN GLU 6 -6.943 -2.011 -3.204 47 HA GLU 6 HA GLU 6 -7.159 -4.457 -4.832 48 HB2 GLU 6 2HB GLU 6 -7.257 -1.576 -5.651 49 HB3 GLU 6 3HB GLU 6 -6.640 -2.782 -6.771 50 HG2 GLU 6 2HG GLU 6 -9.359 -2.841 -5.482 51 HG3 GLU 6 3HG GLU 6 -9.016 -2.288 -7.121 52 H PHE 7 HN PHE 7 -5.298 -5.084 -5.997 53 HA PHE 7 HA PHE 7 -2.803 -3.721 -5.263 54 HB2 PHE 7 2HB PHE 7 -3.504 -6.610 -4.849 55 HB3 PHE 7 3HB PHE 7 -1.830 -6.134 -5.116 56 HD1 PHE 7 1HD PHE 7 -4.764 -5.299 -2.979 57 HD2 PHE 7 2HD PHE 7 -0.527 -5.546 -3.310 58 HE1 PHE 7 1HE PHE 7 -4.548 -4.741 -0.593 59 HE2 PHE 7 2HE PHE 7 -0.305 -4.989 -0.924 60 HZ PHE 7 HZ PHE 7 -2.317 -4.586 0.439 61 H ASP 8 HN ASP 8 -1.438 -3.443 -6.915 62 HA ASP 8 HA ASP 8 -2.211 -4.146 -9.552 63 HB2 ASP 8 2HB ASP 8 0.098 -2.754 -8.296 64 HB3 ASP 8 3HB ASP 8 0.332 -3.395 -9.920 65 HA PRO 9 HA PRO 9 -0.303 -8.032 -10.247 66 HB2 PRO 9 2HB PRO 9 0.732 -7.755 -12.741 67 HB3 PRO 9 3HB PRO 9 -1.003 -7.887 -12.430 68 HG2 PRO 9 2HG PRO 9 0.651 -5.443 -12.936 69 HG3 PRO 9 3HG PRO 9 -0.949 -5.863 -13.575 70 HD2 PRO 9 2HD PRO 9 -0.611 -4.145 -11.510 71 HD3 PRO 9 3HD PRO 9 -2.031 -5.201 -11.651 72 H ARG 10 HN ARG 10 1.570 -5.220 -10.036 73 HA ARG 10 HA ARG 10 4.110 -6.636 -10.327 74 HB2 ARG 10 2HB ARG 10 3.399 -3.726 -9.998 75 HB3 ARG 10 3HB ARG 10 5.056 -4.306 -9.889 76 HG2 ARG 10 2HG ARG 10 5.188 -4.774 -12.122 77 HG3 ARG 10 3HG ARG 10 3.452 -5.045 -12.279 78 HD2 ARG 10 2HD ARG 10 3.132 -2.585 -11.907 79 HD3 ARG 10 3HD ARG 10 4.883 -2.408 -12.014 80 HE ARG 10 HE ARG 10 4.264 -3.707 -14.298 81 HH11 ARG 10 2HH1 ARG 10 3.035 -0.819 -12.793 82 HH12 ARG 10 1HH1 ARG 10 2.621 -0.057 -14.293 83 HH21 ARG 10 2HH2 ARG 10 3.724 -2.714 -16.280 84 HH22 ARG 10 1HH2 ARG 10 3.013 -1.136 -16.275 85 H ALA 11 HN ALA 11 2.419 -4.624 -7.925 86 HA ALA 11 HA ALA 11 4.266 -5.002 -5.840 87 HB1 ALA 11 1HB ALA 11 2.852 -3.232 -5.453 88 HB2 ALA 11 2HB ALA 11 1.421 -4.118 -5.981 89 HB3 ALA 11 3HB ALA 11 2.143 -4.466 -4.410 90 H GLU 12 HN GLU 12 1.302 -6.755 -6.691 91 HA GLU 12 HA GLU 12 0.922 -8.421 -4.600 92 HB2 GLU 12 2HB GLU 12 -0.098 -8.357 -7.057 93 HB3 GLU 12 3HB GLU 12 0.978 -9.731 -7.274 94 HG2 GLU 12 2HG GLU 12 -0.849 -9.670 -4.924 95 HG3 GLU 12 3HG GLU 12 -1.492 -10.077 -6.514 96 H LYS 13 HN LYS 13 3.357 -8.873 -7.141 97 HA LYS 13 HA LYS 13 4.416 -11.258 -5.943 98 HB2 LYS 13 2HB LYS 13 5.166 -9.524 -8.264 99 HB3 LYS 13 3HB LYS 13 6.338 -10.678 -7.642 100 HG2 LYS 13 2HG LYS 13 3.589 -11.640 -8.236 101 HG3 LYS 13 3HG LYS 13 4.681 -11.309 -9.583 102 HD2 LYS 13 2HD LYS 13 6.370 -12.779 -8.449 103 HD3 LYS 13 3HD LYS 13 5.112 -13.224 -7.294 104 HE2 LYS 13 2HE LYS 13 4.605 -13.488 -10.228 105 HE3 LYS 13 3HE LYS 13 5.555 -14.714 -9.389 106 HZ1 LYS 13 3HZ LYS 13 2.866 -13.864 -8.477 107 HZ2 LYS 13 1HZ LYS 13 3.749 -15.220 -7.983 108 HZ3 LYS 13 2HZ LYS 13 3.107 -15.153 -9.546 109 H GLU 14 HN GLU 14 5.384 -7.856 -6.109 110 HA GLU 14 HA GLU 14 7.870 -8.084 -4.853 111 HB2 GLU 14 2HB GLU 14 5.888 -5.807 -4.904 112 HB3 GLU 14 3HB GLU 14 7.504 -5.667 -4.226 113 HG2 GLU 14 2HG GLU 14 8.487 -6.160 -6.379 114 HG3 GLU 14 3HG GLU 14 6.888 -6.408 -7.077 115 H LEU 15 HN LEU 15 4.671 -8.257 -3.575 116 HA LEU 15 HA LEU 15 5.543 -7.820 -0.835 117 HB2 LEU 15 2HB LEU 15 3.441 -6.886 -1.283 118 HB3 LEU 15 3HB LEU 15 2.889 -8.326 -2.136 119 HG LEU 15 HG LEU 15 3.498 -8.544 0.772 120 HD11 LEU 15 1HD1 LEU 15 2.195 -6.627 0.940 121 HD12 LEU 15 2HD1 LEU 15 1.023 -7.933 1.111 122 HD13 LEU 15 3HD1 LEU 15 1.174 -7.080 -0.425 123 HD21 LEU 15 3HD2 LEU 15 2.739 -10.575 0.243 124 HD22 LEU 15 1HD2 LEU 15 2.087 -10.024 -1.300 125 HD23 LEU 15 2HD2 LEU 15 1.140 -9.832 0.175 126 H GLU 16 HN GLU 16 3.909 -10.426 -2.644 127 HA GLU 16 HA GLU 16 3.906 -12.392 -0.736 128 HB2 GLU 16 2HB GLU 16 3.557 -13.930 -2.445 129 HB3 GLU 16 3HB GLU 16 3.037 -12.419 -3.177 130 HG2 GLU 16 2HG GLU 16 5.197 -12.221 -4.303 131 HG3 GLU 16 3HG GLU 16 5.711 -13.741 -3.575 132 H LYS 17 HN LYS 17 6.583 -11.373 -2.785 133 HA LYS 17 HA LYS 17 8.375 -13.445 -2.189 134 HB2 LYS 17 2HB LYS 17 10.051 -12.098 -3.142 135 HB3 LYS 17 3HB LYS 17 8.576 -11.624 -3.973 136 HG2 LYS 17 2HG LYS 17 9.425 -9.568 -3.534 137 HG3 LYS 17 3HG LYS 17 8.506 -9.811 -2.047 138 HD2 LYS 17 2HD LYS 17 10.383 -10.127 -0.778 139 HD3 LYS 17 3HD LYS 17 11.317 -10.778 -2.127 140 HE2 LYS 17 2HE LYS 17 10.474 -7.924 -2.216 141 HE3 LYS 17 3HE LYS 17 11.801 -8.377 -1.148 142 HZ1 LYS 17 3HZ LYS 17 12.943 -7.948 -3.051 143 HZ2 LYS 17 1HZ LYS 17 11.674 -8.407 -4.071 144 HZ3 LYS 17 2HZ LYS 17 12.618 -9.588 -3.312 145 H LEU 18 HN LEU 18 7.570 -10.494 -0.468 146 HA LEU 18 HA LEU 18 9.695 -10.421 1.342 147 HB2 LEU 18 2HB LEU 18 6.826 -9.577 1.712 148 HB3 LEU 18 3HB LEU 18 8.142 -9.161 2.808 149 HG LEU 18 HG LEU 18 8.170 -8.367 -0.092 150 HD11 LEU 18 1HD1 LEU 18 6.976 -6.461 0.300 151 HD12 LEU 18 2HD1 LEU 18 7.344 -6.448 2.024 152 HD13 LEU 18 3HD1 LEU 18 6.141 -7.569 1.388 153 HD21 LEU 18 3HD2 LEU 18 9.406 -6.616 1.856 154 HD22 LEU 18 1HD2 LEU 18 10.087 -7.351 0.404 155 HD23 LEU 18 2HD2 LEU 18 10.071 -8.249 1.922 156 H ASP 19 HN ASP 19 9.281 -10.725 3.802 157 HA ASP 19 HA ASP 19 9.178 -13.438 4.361 158 HB2 ASP 19 2HB ASP 19 9.969 -11.350 5.785 159 HB3 ASP 19 3HB ASP 19 8.359 -11.503 6.483 160 H ARG 20 HN ARG 20 7.578 -14.860 4.502 161 HA ARG 20 HA ARG 20 5.014 -14.582 3.800 162 HB2 ARG 20 2HB ARG 20 6.101 -16.329 6.008 163 HB3 ARG 20 3HB ARG 20 4.462 -16.474 5.388 164 HG2 ARG 20 2HG ARG 20 6.793 -16.617 3.525 165 HG3 ARG 20 3HG ARG 20 6.313 -18.026 4.472 166 HD2 ARG 20 2HD ARG 20 4.323 -16.495 2.833 167 HD3 ARG 20 3HD ARG 20 5.335 -17.744 2.109 168 HE ARG 20 HE ARG 20 3.071 -18.135 3.812 169 HH11 ARG 20 2HH1 ARG 20 6.117 -19.489 2.805 170 HH12 ARG 20 1HH1 ARG 20 5.665 -21.119 3.181 171 HH21 ARG 20 2HH2 ARG 20 2.465 -20.277 4.310 172 HH22 ARG 20 1HH2 ARG 20 3.587 -21.566 4.036 173 H GLU 21 HN GLU 21 6.067 -14.309 7.199 174 HA GLU 21 HA GLU 21 3.633 -13.595 8.309 175 HB2 GLU 21 2HB GLU 21 5.950 -14.081 9.411 176 HB3 GLU 21 3HB GLU 21 6.175 -12.342 9.286 177 HG2 GLU 21 2HG GLU 21 3.831 -12.263 10.446 178 HG3 GLU 21 3HG GLU 21 4.265 -13.893 10.959 179 H VAL 22 HN VAL 22 6.213 -11.415 7.171 180 HA VAL 22 HA VAL 22 5.011 -8.988 7.666 181 HB VAL 22 HB VAL 22 6.699 -9.680 5.258 182 HG11 VAL 22 1HG1 VAL 22 5.348 -7.466 5.353 183 HG12 VAL 22 2HG1 VAL 22 6.556 -6.984 6.546 184 HG13 VAL 22 3HG1 VAL 22 7.054 -7.420 4.911 185 HG21 VAL 22 3HG2 VAL 22 7.534 -10.125 7.698 186 HG22 VAL 22 1HG2 VAL 22 8.594 -9.348 6.521 187 HG23 VAL 22 2HG2 VAL 22 7.751 -8.375 7.727 188 H ALA 23 HN ALA 23 4.823 -10.848 4.628 189 HA ALA 23 HA ALA 23 3.166 -9.237 3.165 190 HB1 ALA 23 1HB ALA 23 2.211 -11.627 2.407 191 HB2 ALA 23 2HB ALA 23 3.783 -11.006 1.901 192 HB3 ALA 23 3HB ALA 23 3.675 -12.144 3.244 193 H ARG 24 HN ARG 24 2.109 -11.814 5.393 194 HA ARG 24 HA ARG 24 -0.643 -11.359 5.124 195 HB2 ARG 24 2HB ARG 24 0.250 -13.399 6.121 196 HB3 ARG 24 3HB ARG 24 0.898 -12.478 7.472 197 HG2 ARG 24 2HG ARG 24 -1.430 -11.827 8.061 198 HG3 ARG 24 3HG ARG 24 -2.000 -12.919 6.798 199 HD2 ARG 24 2HD ARG 24 -0.427 -14.620 8.090 200 HD3 ARG 24 3HD ARG 24 -0.766 -13.526 9.430 201 HE ARG 24 HE ARG 24 -3.209 -14.092 8.306 202 HH11 ARG 24 2HH1 ARG 24 -0.614 -15.918 9.740 203 HH12 ARG 24 1HH1 ARG 24 -1.651 -17.173 10.332 204 HH21 ARG 24 2HH2 ARG 24 -4.584 -15.739 9.081 205 HH22 ARG 24 1HH2 ARG 24 -3.908 -17.072 9.956 206 H ARG 25 HN ARG 25 1.760 -9.932 7.269 207 HA ARG 25 HA ARG 25 -0.025 -8.558 8.962 208 HB2 ARG 25 2HB ARG 25 2.239 -8.832 9.669 209 HB3 ARG 25 3HB ARG 25 2.854 -8.048 8.220 210 HG2 ARG 25 2HG ARG 25 2.354 -5.941 8.978 211 HG3 ARG 25 3HG ARG 25 1.075 -6.514 10.050 212 HD2 ARG 25 2HD ARG 25 3.889 -7.347 10.574 213 HD3 ARG 25 3HD ARG 25 3.388 -5.713 11.007 214 HE ARG 25 HE ARG 25 2.729 -8.117 12.376 215 HH11 ARG 25 2HH1 ARG 25 1.495 -4.975 11.525 216 HH12 ARG 25 1HH1 ARG 25 0.428 -4.881 12.886 217 HH21 ARG 25 2HH2 ARG 25 1.327 -8.005 14.172 218 HH22 ARG 25 1HH2 ARG 25 0.334 -6.605 14.392 219 H ILE 26 HN ILE 26 1.453 -7.715 5.881 220 HA ILE 26 HA ILE 26 0.678 -4.995 5.857 221 HB ILE 26 HB ILE 26 1.286 -6.866 3.567 222 HG12 ILE 26 2HG1 ILE 26 2.979 -4.688 4.806 223 HG13 ILE 26 3HG1 ILE 26 3.122 -6.395 5.213 224 HG21 ILE 26 1HG2 ILE 26 0.141 -4.247 3.543 225 HG22 ILE 26 2HG2 ILE 26 1.755 -4.190 2.836 226 HG23 ILE 26 3HG2 ILE 26 0.546 -5.296 2.185 227 HD11 ILE 26 3HD1 ILE 26 4.642 -5.202 3.386 228 HD12 ILE 26 1HD1 ILE 26 4.182 -6.901 3.287 229 HD13 ILE 26 2HD1 ILE 26 3.301 -5.693 2.352 230 H LEU 27 HN LEU 27 -0.667 -7.699 3.952 231 HA LEU 27 HA LEU 27 -2.881 -6.457 2.929 232 HB2 LEU 27 2HB LEU 27 -2.622 -9.298 3.900 233 HB3 LEU 27 3HB LEU 27 -3.952 -8.705 2.906 234 HG LEU 27 HG LEU 27 -1.093 -8.552 1.991 235 HD11 LEU 27 1HD1 LEU 27 -2.877 -10.738 1.062 236 HD12 LEU 27 2HD1 LEU 27 -2.071 -10.922 2.619 237 HD13 LEU 27 3HD1 LEU 27 -1.116 -10.674 1.157 238 HD21 LEU 27 3HD2 LEU 27 -2.356 -8.706 -0.239 239 HD22 LEU 27 1HD2 LEU 27 -2.435 -7.189 0.658 240 HD23 LEU 27 2HD2 LEU 27 -3.793 -8.315 0.708 241 H ARG 28 HN ARG 28 -2.934 -8.467 5.881 242 HA ARG 28 HA ARG 28 -5.484 -7.955 6.727 243 HB2 ARG 28 2HB ARG 28 -3.903 -9.528 7.815 244 HB3 ARG 28 3HB ARG 28 -3.059 -8.156 8.520 245 HG2 ARG 28 2HG ARG 28 -4.694 -7.754 10.051 246 HG3 ARG 28 3HG ARG 28 -5.973 -8.392 9.016 247 HD2 ARG 28 2HD ARG 28 -3.875 -10.230 10.083 248 HD3 ARG 28 3HD ARG 28 -5.198 -9.718 11.130 249 HE ARG 28 HE ARG 28 -6.176 -10.666 8.640 250 HH11 ARG 28 2HH1 ARG 28 -4.866 -11.732 11.685 251 HH12 ARG 28 1HH1 ARG 28 -5.662 -13.270 11.637 252 HH21 ARG 28 2HH2 ARG 28 -7.229 -12.689 8.566 253 HH22 ARG 28 1HH2 ARG 28 -7.004 -13.814 9.863 254 H PHE 29 HN PHE 29 -2.592 -6.018 7.444 255 HA PHE 29 HA PHE 29 -3.713 -4.114 9.099 256 HB2 PHE 29 2HB PHE 29 -1.383 -4.013 8.871 257 HB3 PHE 29 3HB PHE 29 -1.463 -3.996 7.112 258 HD1 PHE 29 1HD PHE 29 -2.115 -1.970 10.139 259 HD2 PHE 29 2HD PHE 29 -1.518 -1.976 5.924 260 HE1 PHE 29 1HE PHE 29 -1.951 0.485 10.162 261 HE2 PHE 29 2HE PHE 29 -1.351 0.478 5.941 262 HZ PHE 29 HZ PHE 29 -1.567 1.712 8.061 263 H LEU 30 HN LEU 30 -3.780 -4.312 5.584 264 HA LEU 30 HA LEU 30 -5.151 -1.774 5.330 265 HB2 LEU 30 2HB LEU 30 -4.346 -3.893 3.353 266 HB3 LEU 30 3HB LEU 30 -5.279 -2.468 2.900 267 HG LEU 30 HG LEU 30 -2.643 -2.140 4.273 268 HD11 LEU 30 1HD1 LEU 30 -1.846 -3.498 2.601 269 HD12 LEU 30 2HD1 LEU 30 -1.792 -1.921 1.814 270 HD13 LEU 30 3HD1 LEU 30 -3.116 -3.034 1.467 271 HD21 LEU 30 3HD2 LEU 30 -3.018 -0.291 2.221 272 HD22 LEU 30 1HD2 LEU 30 -3.216 -0.017 3.952 273 HD23 LEU 30 2HD2 LEU 30 -4.605 -0.478 2.968 274 H ARG 31 HN ARG 31 -5.962 -5.090 5.698 275 HA ARG 31 HA ARG 31 -8.653 -4.757 4.645 276 HB2 ARG 31 2HB ARG 31 -7.301 -7.133 5.938 277 HB3 ARG 31 3HB ARG 31 -8.924 -7.145 5.259 278 HG2 ARG 31 2HG ARG 31 -7.979 -6.595 3.053 279 HG3 ARG 31 3HG ARG 31 -6.360 -6.668 3.754 280 HD2 ARG 31 2HD ARG 31 -8.158 -9.002 4.140 281 HD3 ARG 31 3HD ARG 31 -7.465 -8.749 2.538 282 HE ARG 31 HE ARG 31 -5.389 -8.551 4.373 283 HH11 ARG 31 2HH1 ARG 31 -7.653 -10.950 3.260 284 HH12 ARG 31 1HH1 ARG 31 -6.591 -12.284 3.568 285 HH21 ARG 31 2HH2 ARG 31 -3.982 -10.298 4.783 286 HH22 ARG 31 1HH2 ARG 31 -4.504 -11.912 4.435 287 H GLU 32 HN GLU 32 -7.014 -4.377 7.588 288 HA GLU 32 HA GLU 32 -9.529 -4.576 9.107 289 HB2 GLU 32 2HB GLU 32 -6.653 -4.802 9.990 290 HB3 GLU 32 3HB GLU 32 -7.985 -4.614 11.123 291 HG2 GLU 32 2HG GLU 32 -8.992 -6.680 10.030 292 HG3 GLU 32 3HG GLU 32 -7.411 -6.911 9.285 293 H ARG 33 HN ARG 33 -6.495 -2.787 9.611 294 HA ARG 33 HA ARG 33 -7.631 -0.588 10.857 295 HB2 ARG 33 2HB ARG 33 -5.157 -0.561 9.121 296 HB3 ARG 33 3HB ARG 33 -5.557 0.583 10.396 297 HG2 ARG 33 2HG ARG 33 -5.276 -2.332 11.000 298 HG3 ARG 33 3HG ARG 33 -3.857 -1.290 10.879 299 HD2 ARG 33 2HD ARG 33 -4.421 -1.299 13.160 300 HD3 ARG 33 3HD ARG 33 -5.029 0.236 12.540 301 HE ARG 33 HE ARG 33 -6.952 -1.920 12.555 302 HH11 ARG 33 2HH1 ARG 33 -5.585 0.765 14.298 303 HH12 ARG 33 1HH1 ARG 33 -6.967 0.973 15.322 304 HH21 ARG 33 2HH2 ARG 33 -8.777 -1.657 13.896 305 HH22 ARG 33 1HH2 ARG 33 -8.782 -0.406 15.093 306 H VAL 34 HN VAL 34 -6.245 -0.374 7.586 307 HA VAL 34 HA VAL 34 -7.550 1.953 6.837 308 HB VAL 34 HB VAL 34 -6.768 -0.291 4.972 309 HG11 VAL 34 1HG1 VAL 34 -8.203 1.752 4.218 310 HG12 VAL 34 2HG1 VAL 34 -6.668 2.619 4.308 311 HG13 VAL 34 3HG1 VAL 34 -6.834 1.227 3.238 312 HG21 VAL 34 3HG2 VAL 34 -5.162 1.722 6.453 313 HG22 VAL 34 1HG2 VAL 34 -4.764 0.064 6.002 314 HG23 VAL 34 2HG2 VAL 34 -4.693 1.348 4.795 315 H ALA 35 HN ALA 35 -8.699 -1.336 6.853 316 HA ALA 35 HA ALA 35 -10.904 -1.018 5.118 317 HB1 ALA 35 1HB ALA 35 -10.461 -2.964 7.378 318 HB2 ALA 35 2HB ALA 35 -11.770 -3.071 6.200 319 HB3 ALA 35 3HB ALA 35 -10.093 -3.217 5.672 320 H THR 36 HN THR 36 -10.671 -0.891 8.669 321 HA THR 36 HA THR 36 -13.419 -0.053 8.930 322 HB THR 36 HB THR 36 -12.409 -1.463 10.663 323 HG1 THR 36 1HG THR 36 -13.624 -0.471 12.089 324 HG21 THR 36 3HG2 THR 36 -10.266 -1.054 11.175 325 HG22 THR 36 1HG2 THR 36 -10.884 0.227 12.217 326 HG23 THR 36 2HG2 THR 36 -10.353 0.603 10.578 327 H LEU 37 HN LEU 37 -10.353 1.462 8.567 328 HA LEU 37 HA LEU 37 -10.857 3.923 9.835 329 HB2 LEU 37 2HB LEU 37 -9.014 3.041 7.649 330 HB3 LEU 37 3HB LEU 37 -9.139 4.747 8.073 331 HG LEU 37 HG LEU 37 -8.381 2.577 10.025 332 HD11 LEU 37 1HD1 LEU 37 -6.130 4.020 9.663 333 HD12 LEU 37 2HD1 LEU 37 -6.796 4.048 8.031 334 HD13 LEU 37 3HD1 LEU 37 -6.479 2.507 8.827 335 HD21 LEU 37 3HD2 LEU 37 -8.274 5.588 10.148 336 HD22 LEU 37 1HD2 LEU 37 -7.561 4.506 11.344 337 HD23 LEU 37 2HD2 LEU 37 -9.308 4.522 11.100 338 H GLU 38 HN GLU 38 -12.583 5.137 9.398 339 HA GLU 38 HA GLU 38 -14.245 5.172 7.276 340 HB2 GLU 38 2HB GLU 38 -14.186 6.635 9.455 341 HB3 GLU 38 3HB GLU 38 -13.433 7.824 8.401 342 HG2 GLU 38 2HG GLU 38 -15.423 7.498 6.861 343 HG3 GLU 38 3HG GLU 38 -16.178 6.636 8.200 344 H ASP 39 HN ASP 39 -11.130 6.810 7.465 345 HA ASP 39 HA ASP 39 -11.269 7.247 4.559 346 HB2 ASP 39 2HB ASP 39 -10.110 9.165 6.593 347 HB3 ASP 39 3HB ASP 39 -10.051 9.369 4.844 348 HA PRO 40 HA PRO 40 -7.443 5.072 4.458 349 HB2 PRO 40 2HB PRO 40 -6.518 5.952 2.062 350 HB3 PRO 40 3HB PRO 40 -7.840 4.788 2.212 351 HG2 PRO 40 2HG PRO 40 -7.962 7.739 1.726 352 HG3 PRO 40 3HG PRO 40 -8.896 6.440 0.962 353 HD2 PRO 40 2HD PRO 40 -9.901 7.983 2.946 354 HD3 PRO 40 3HD PRO 40 -10.364 6.283 2.732 355 H ARG 41 HN ARG 41 -7.604 8.539 4.218 356 HA ARG 41 HA ARG 41 -4.806 9.043 4.242 357 HB2 ARG 41 2HB ARG 41 -7.198 10.747 4.929 358 HB3 ARG 41 3HB ARG 41 -5.549 11.352 5.006 359 HG2 ARG 41 2HG ARG 41 -5.378 10.559 2.561 360 HG3 ARG 41 3HG ARG 41 -7.141 10.523 2.615 361 HD2 ARG 41 2HD ARG 41 -5.428 12.916 3.277 362 HD3 ARG 41 3HD ARG 41 -6.251 12.653 1.740 363 HE ARG 41 HE ARG 41 -8.175 12.486 3.732 364 HH11 ARG 41 2HH1 ARG 41 -5.979 14.861 2.443 365 HH12 ARG 41 1HH1 ARG 41 -7.000 16.206 2.831 366 HH21 ARG 41 2HH2 ARG 41 -9.528 14.249 4.248 367 HH22 ARG 41 1HH2 ARG 41 -9.018 15.857 3.858 368 H SER 42 HN SER 42 -7.151 8.312 6.684 369 HA SER 42 HA SER 42 -6.208 9.379 8.985 370 HB2 SER 42 2HB SER 42 -8.106 7.672 8.645 371 HB3 SER 42 3HB SER 42 -6.864 6.440 8.867 372 HG SER 42 HG SER 42 -7.720 8.419 10.700 373 H LEU 43 HN LEU 43 -4.958 6.389 7.507 374 HA LEU 43 HA LEU 43 -2.531 6.695 9.147 375 HB2 LEU 43 2HB LEU 43 -3.933 4.288 8.046 376 HB3 LEU 43 3HB LEU 43 -2.224 4.219 8.473 377 HG LEU 43 HG LEU 43 -4.420 4.967 10.400 378 HD11 LEU 43 1HD1 LEU 43 -4.260 2.534 9.359 379 HD12 LEU 43 2HD1 LEU 43 -4.629 2.803 11.062 380 HD13 LEU 43 3HD1 LEU 43 -2.989 2.376 10.572 381 HD21 LEU 43 3HD2 LEU 43 -2.192 5.840 10.945 382 HD22 LEU 43 1HD2 LEU 43 -1.535 4.206 10.846 383 HD23 LEU 43 2HD2 LEU 43 -2.715 4.607 12.094 384 H GLY 44 HN GLY 44 -0.545 6.727 8.187 385 HA2 GLY 44 1HA GLY 44 0.832 6.082 6.244 386 HA3 GLY 44 2HA GLY 44 -0.516 6.584 5.235 387 H GLU 45 HN GLU 45 1.705 7.683 4.480 388 HA GLU 45 HA GLU 45 1.669 10.395 5.632 389 HB2 GLU 45 2HB GLU 45 3.798 9.803 6.217 390 HB3 GLU 45 3HB GLU 45 3.942 8.623 4.922 391 HG2 GLU 45 2HG GLU 45 4.691 10.153 3.415 392 HG3 GLU 45 3HG GLU 45 3.828 11.490 4.175 393 HA PRO 46 HA PRO 46 0.497 11.704 1.586 394 HB2 PRO 46 2HB PRO 46 1.069 14.344 1.859 395 HB3 PRO 46 3HB PRO 46 -0.338 13.583 2.611 396 HG2 PRO 46 2HG PRO 46 2.316 14.266 3.816 397 HG3 PRO 46 3HG PRO 46 0.691 14.481 4.493 398 HD2 PRO 46 2HD PRO 46 2.301 12.420 5.196 399 HD3 PRO 46 3HD PRO 46 0.533 12.275 5.142 400 H LEU 47 HN LEU 47 1.396 12.595 -0.354 401 HA LEU 47 HA LEU 47 4.275 12.181 -0.533 402 HB2 LEU 47 2HB LEU 47 2.009 12.239 -2.453 403 HB3 LEU 47 3HB LEU 47 3.612 12.651 -3.058 404 HG LEU 47 HG LEU 47 2.924 10.266 -3.390 405 HD11 LEU 47 1HD1 LEU 47 5.388 10.951 -1.812 406 HD12 LEU 47 2HD1 LEU 47 5.225 10.747 -3.556 407 HD13 LEU 47 3HD1 LEU 47 5.103 9.347 -2.490 408 HD21 LEU 47 3HD2 LEU 47 3.566 9.695 -0.555 409 HD22 LEU 47 1HD2 LEU 47 2.506 8.839 -1.676 410 HD23 LEU 47 2HD2 LEU 47 1.957 10.329 -0.907 411 H ARG 48 HN ARG 48 5.542 13.675 -1.947 412 HA ARG 48 HA ARG 48 4.606 16.454 -1.777 413 HB2 ARG 48 2HB ARG 48 7.219 15.340 -0.777 414 HB3 ARG 48 3HB ARG 48 7.031 17.041 -1.184 415 HG2 ARG 48 2HG ARG 48 5.244 15.641 0.782 416 HG3 ARG 48 3HG ARG 48 6.756 16.424 1.247 417 HD2 ARG 48 2HD ARG 48 4.730 17.931 -0.350 418 HD3 ARG 48 3HD ARG 48 4.502 17.732 1.387 419 HE ARG 48 HE ARG 48 7.007 18.656 1.275 420 HH11 ARG 48 2HH1 ARG 48 4.084 19.729 -0.282 421 HH12 ARG 48 1HH1 ARG 48 4.569 21.392 -0.336 422 HH21 ARG 48 2HH2 ARG 48 7.657 20.841 1.210 423 HH22 ARG 48 1HH2 ARG 48 6.602 22.023 0.512 424 H GLY 49 HN GLY 49 4.635 17.329 -3.734 425 HA2 GLY 49 1HA GLY 49 6.833 17.534 -5.403 426 HA3 GLY 49 2HA GLY 49 5.956 16.109 -5.940 427 HA PRO 50 HA PRO 50 4.077 20.277 -7.439 428 HB2 PRO 50 2HB PRO 50 5.400 20.618 -9.785 429 HB3 PRO 50 3HB PRO 50 5.948 21.327 -8.261 430 HG2 PRO 50 2HG PRO 50 6.892 18.845 -9.645 431 HG3 PRO 50 3HG PRO 50 7.843 20.113 -8.850 432 HD2 PRO 50 2HD PRO 50 7.291 17.744 -7.660 433 HD3 PRO 50 3HD PRO 50 7.460 19.256 -6.745 434 H GLU 51 HN GLU 51 4.954 17.231 -8.873 435 HA GLU 51 HA GLU 51 2.748 17.429 -10.797 436 HB2 GLU 51 2HB GLU 51 5.231 15.786 -10.633 437 HB3 GLU 51 3HB GLU 51 3.841 15.101 -11.463 438 HG2 GLU 51 2HG GLU 51 5.120 16.127 -13.130 439 HG3 GLU 51 3HG GLU 51 3.777 17.229 -12.828 440 H LEU 52 HN LEU 52 4.111 14.996 -8.568 441 HA LEU 52 HA LEU 52 1.479 13.747 -8.363 442 HB2 LEU 52 2HB LEU 52 2.673 11.963 -7.154 443 HB3 LEU 52 3HB LEU 52 3.313 12.254 -8.770 444 HG LEU 52 HG LEU 52 5.046 13.742 -7.474 445 HD11 LEU 52 1HD1 LEU 52 5.577 12.901 -5.274 446 HD12 LEU 52 2HD1 LEU 52 4.239 11.756 -5.355 447 HD13 LEU 52 3HD1 LEU 52 3.914 13.488 -5.300 448 HD21 LEU 52 3HD2 LEU 52 5.894 11.078 -6.926 449 HD22 LEU 52 1HD2 LEU 52 6.379 12.146 -8.243 450 HD23 LEU 52 2HD2 LEU 52 4.984 11.084 -8.438 451 H GLY 53 HN GLY 53 0.615 13.160 -6.254 452 HA2 GLY 53 1HA GLY 53 1.597 14.201 -3.829 453 HA3 GLY 53 2HA GLY 53 0.443 15.341 -4.504 454 H ARG 54 HN ARG 54 -1.347 13.510 -5.671 455 HA ARG 54 HA ARG 54 -3.087 12.995 -3.580 456 HB2 ARG 54 2HB ARG 54 -2.877 11.849 -6.354 457 HB3 ARG 54 3HB ARG 54 -4.144 11.336 -5.248 458 HG2 ARG 54 2HG ARG 54 -3.673 14.209 -5.996 459 HG3 ARG 54 3HG ARG 54 -4.779 13.143 -6.864 460 HD2 ARG 54 2HD ARG 54 -4.934 13.796 -3.924 461 HD3 ARG 54 3HD ARG 54 -5.924 14.535 -5.182 462 HE ARG 54 HE ARG 54 -6.360 11.866 -5.482 463 HH11 ARG 54 2HH1 ARG 54 -6.609 14.093 -2.817 464 HH12 ARG 54 1HH1 ARG 54 -7.891 13.224 -2.042 465 HH21 ARG 54 2HH2 ARG 54 -8.048 10.714 -4.471 466 HH22 ARG 54 1HH2 ARG 54 -8.708 11.301 -2.982 467 H PHE 55 HN PHE 55 -0.939 10.701 -5.252 468 HA PHE 55 HA PHE 55 -1.499 8.337 -4.125 469 HB2 PHE 55 2HB PHE 55 1.349 9.332 -4.186 470 HB3 PHE 55 3HB PHE 55 0.775 7.681 -4.401 471 HD1 PHE 55 2HD PHE 55 1.038 10.997 -5.968 472 HD2 PHE 55 1HD PHE 55 0.002 6.904 -6.513 473 HE1 PHE 55 2HE PHE 55 0.986 11.338 -8.404 474 HE2 PHE 55 1HE PHE 55 -0.050 7.239 -8.950 475 HZ PHE 55 HZ PHE 55 0.441 9.458 -9.898 476 H TRP 56 HN TRP 56 -1.315 7.287 -2.202 477 HA TRP 56 HA TRP 56 -0.271 8.841 0.074 478 HB2 TRP 56 2HB TRP 56 -2.829 8.586 -0.102 479 HB3 TRP 56 3HB TRP 56 -2.557 6.898 0.320 480 HD1 TRP 56 1HD TRP 56 -2.003 6.339 2.829 481 HE1 TRP 56 1HE TRP 56 -2.008 7.734 4.992 482 HE3 TRP 56 3HE TRP 56 -2.319 11.013 0.781 483 HZ2 TRP 56 2HZ TRP 56 -2.129 10.455 5.733 484 HZ3 TRP 56 3HZ TRP 56 -2.375 12.959 2.287 485 HH2 TRP 56 2HH TRP 56 -2.282 12.683 4.711 486 H LYS 57 HN LYS 57 1.156 7.834 1.356 487 HA LYS 57 HA LYS 57 1.727 5.009 0.790 488 HB2 LYS 57 2HB LYS 57 3.495 6.969 2.253 489 HB3 LYS 57 3HB LYS 57 3.947 5.400 1.599 490 HG2 LYS 57 2HG LYS 57 3.858 6.176 -0.615 491 HG3 LYS 57 3HG LYS 57 2.984 7.638 -0.152 492 HD2 LYS 57 2HD LYS 57 5.262 8.235 -0.602 493 HD3 LYS 57 3HD LYS 57 4.995 8.350 1.139 494 HE2 LYS 57 2HE LYS 57 6.963 7.202 1.147 495 HE3 LYS 57 3HE LYS 57 5.845 5.842 1.058 496 HZ1 LYS 57 3HZ LYS 57 6.235 6.512 -1.542 497 HZ2 LYS 57 1HZ LYS 57 7.009 5.247 -0.727 498 HZ3 LYS 57 2HZ LYS 57 7.767 6.753 -0.866 499 H TYR 58 HN TYR 58 2.068 3.531 2.486 500 HA TYR 58 HA TYR 58 0.991 4.381 5.094 501 HB2 TYR 58 2HB TYR 58 0.549 1.772 3.633 502 HB3 TYR 58 3HB TYR 58 0.087 2.053 5.308 503 HD1 TYR 58 2HD TYR 58 -0.638 2.897 1.807 504 HD2 TYR 58 1HD TYR 58 -1.829 3.409 5.860 505 HE1 TYR 58 2HE TYR 58 -2.789 3.820 1.053 506 HE2 TYR 58 1HE TYR 58 -3.984 4.333 5.116 507 HH TYR 58 HH TYR 58 -5.258 4.869 3.385 508 H ARG 59 HN ARG 59 2.005 3.652 6.919 509 HA ARG 59 HA ARG 59 4.590 2.326 6.489 510 HB2 ARG 59 2HB ARG 59 5.166 4.206 7.642 511 HB3 ARG 59 3HB ARG 59 3.589 4.348 8.408 512 HG2 ARG 59 2HG ARG 59 5.312 2.086 9.239 513 HG3 ARG 59 3HG ARG 59 5.774 3.708 9.760 514 HD2 ARG 59 2HD ARG 59 2.934 2.905 10.080 515 HD3 ARG 59 3HD ARG 59 4.117 2.183 11.169 516 HE ARG 59 HE ARG 59 3.128 4.842 11.258 517 HH11 ARG 59 2HH1 ARG 59 5.990 2.934 11.794 518 HH12 ARG 59 1HH1 ARG 59 6.660 4.029 12.958 519 HH21 ARG 59 2HH2 ARG 59 4.000 6.292 12.789 520 HH22 ARG 59 1HH2 ARG 59 5.527 5.938 13.523 521 H VAL 60 HN VAL 60 5.042 0.388 7.365 522 HA VAL 60 HA VAL 60 3.124 -0.749 9.288 523 HB VAL 60 HB VAL 60 4.349 -2.177 6.924 524 HG11 VAL 60 1HG1 VAL 60 3.962 -4.127 7.920 525 HG12 VAL 60 2HG1 VAL 60 3.661 -3.237 9.414 526 HG13 VAL 60 3HG1 VAL 60 2.319 -3.648 8.345 527 HG21 VAL 60 3HG2 VAL 60 1.681 -2.546 6.726 528 HG22 VAL 60 1HG2 VAL 60 1.729 -0.941 7.454 529 HG23 VAL 60 2HG2 VAL 60 2.555 -1.241 5.925 530 H GLY 61 HN GLY 61 4.565 -0.281 10.991 531 HA2 GLY 61 1HA GLY 61 6.285 -0.717 12.447 532 HA3 GLY 61 2HA GLY 61 6.308 -2.320 11.728 533 H ASP 62 HN ASP 62 7.635 -2.657 9.833 534 HA ASP 62 HA ASP 62 9.773 -0.665 9.506 535 HB2 ASP 62 2HB ASP 62 10.019 -3.561 10.211 536 HB3 ASP 62 3HB ASP 62 11.261 -2.822 9.203 537 H TYR 63 HN TYR 63 7.513 -1.069 7.841 538 HA TYR 63 HA TYR 63 8.889 -1.765 5.361 539 HB2 TYR 63 2HB TYR 63 6.277 -2.984 6.261 540 HB3 TYR 63 3HB TYR 63 6.828 -3.010 4.590 541 HD1 TYR 63 1HD TYR 63 7.876 -4.006 8.025 542 HD2 TYR 63 2HD TYR 63 8.183 -4.750 3.848 543 HE1 TYR 63 1HE TYR 63 9.164 -6.049 8.490 544 HE2 TYR 63 2HE TYR 63 9.471 -6.796 4.301 545 HH TYR 63 HH TYR 63 11.042 -7.464 6.797 546 H ARG 64 HN ARG 64 8.366 -0.466 3.687 547 HA ARG 64 HA ARG 64 6.313 1.576 4.189 548 HB2 ARG 64 2HB ARG 64 8.776 1.578 2.446 549 HB3 ARG 64 3HB ARG 64 7.537 2.823 2.343 550 HG2 ARG 64 2HG ARG 64 8.917 2.170 4.924 551 HG3 ARG 64 3HG ARG 64 9.585 3.319 3.764 552 HD2 ARG 64 2HD ARG 64 7.777 4.788 4.009 553 HD3 ARG 64 3HD ARG 64 6.766 3.556 4.763 554 HE ARG 64 HE ARG 64 7.754 4.018 6.789 555 HH11 ARG 64 2HH1 ARG 64 9.533 5.568 4.230 556 HH12 ARG 64 1HH1 ARG 64 10.508 6.515 5.304 557 HH21 ARG 64 2HH2 ARG 64 9.031 5.259 8.214 558 HH22 ARG 64 1HH2 ARG 64 10.222 6.338 7.570 559 H LEU 65 HN LEU 65 4.617 1.836 2.843 560 HA LEU 65 HA LEU 65 4.560 0.243 0.369 561 HB2 LEU 65 2HB LEU 65 2.153 0.642 2.120 562 HB3 LEU 65 3HB LEU 65 2.351 -0.476 0.772 563 HG LEU 65 HG LEU 65 3.877 -0.732 3.356 564 HD11 LEU 65 1HD1 LEU 65 1.387 -2.240 2.596 565 HD12 LEU 65 2HD1 LEU 65 1.391 -0.845 3.674 566 HD13 LEU 65 3HD1 LEU 65 2.273 -2.305 4.120 567 HD21 LEU 65 3HD2 LEU 65 3.753 -3.192 2.374 568 HD22 LEU 65 1HD2 LEU 65 5.013 -2.056 1.894 569 HD23 LEU 65 2HD2 LEU 65 3.611 -2.307 0.854 570 H ILE 66 HN ILE 66 3.846 1.284 -1.397 571 HA ILE 66 HA ILE 66 2.792 4.009 -1.024 572 HB ILE 66 HB ILE 66 4.238 2.876 -3.422 573 HG12 ILE 66 2HG1 ILE 66 6.067 4.400 -2.737 574 HG13 ILE 66 3HG1 ILE 66 5.158 4.816 -1.288 575 HG21 ILE 66 1HG2 ILE 66 2.488 4.702 -3.769 576 HG22 ILE 66 2HG2 ILE 66 3.598 5.762 -2.903 577 HG23 ILE 66 3HG2 ILE 66 4.104 4.997 -4.409 578 HD11 ILE 66 3HD1 ILE 66 5.714 2.912 -0.238 579 HD12 ILE 66 1HD1 ILE 66 5.634 1.947 -1.712 580 HD13 ILE 66 2HD1 ILE 66 7.060 2.929 -1.377 581 H CYS 67 HN CYS 67 0.623 3.830 -1.100 582 HA CYS 67 HA CYS 67 -0.570 2.250 -3.273 583 HB2 CYS 67 2HB CYS 67 -2.060 3.386 -0.914 584 HB3 CYS 67 3HB CYS 67 -2.540 2.068 -1.976 585 HG CYS 67 HG CYS 67 0.298 1.528 -0.268 586 H HIS 68 HN HIS 68 -2.653 3.181 -4.152 587 HA HIS 68 HA HIS 68 -2.433 6.105 -4.433 588 HB2 HIS 68 2HB HIS 68 -1.641 5.204 -6.490 589 HB3 HIS 68 3HB HIS 68 -2.948 4.025 -6.557 590 HD2 HIS 68 2HD HIS 68 -3.890 7.735 -5.871 591 HE1 HIS 68 1HE HIS 68 -5.007 6.789 -9.853 592 HE2 HIS 68 2HE HIS 68 -5.057 8.533 -8.037 593 H ILE 69 HN ILE 69 -4.141 7.016 -3.511 594 HA ILE 69 HA ILE 69 -6.626 5.579 -3.195 595 HB ILE 69 HB ILE 69 -5.875 8.400 -2.420 596 HG12 ILE 69 2HG1 ILE 69 -6.238 5.960 -0.673 597 HG13 ILE 69 3HG1 ILE 69 -4.674 6.512 -1.262 598 HG21 ILE 69 1HG2 ILE 69 -8.428 7.247 -2.671 599 HG22 ILE 69 2HG2 ILE 69 -8.076 7.321 -0.945 600 HG23 ILE 69 3HG2 ILE 69 -8.003 8.787 -1.923 601 HD11 ILE 69 3HD1 ILE 69 -5.219 7.204 1.062 602 HD12 ILE 69 1HD1 ILE 69 -4.846 8.539 -0.027 603 HD13 ILE 69 2HD1 ILE 69 -6.521 8.196 0.406 604 H GLN 70 HN GLN 70 -8.123 5.516 -4.725 605 HA GLN 70 HA GLN 70 -8.223 7.646 -6.730 606 HB2 GLN 70 2HB GLN 70 -9.189 4.812 -6.642 607 HB3 GLN 70 3HB GLN 70 -9.919 5.946 -7.771 608 HG2 GLN 70 2HG GLN 70 -8.296 5.106 -9.104 609 HG3 GLN 70 3HG GLN 70 -7.390 6.425 -8.364 610 HE21 GLN 70 1HE2 GLN 70 -7.977 2.975 -8.309 611 HE22 GLN 70 2HE2 GLN 70 -6.502 2.543 -7.520 612 H ASP 71 HN ASP 71 -9.312 9.276 -5.668 613 HA ASP 71 HA ASP 71 -11.518 9.078 -4.022 614 HB2 ASP 71 2HB ASP 71 -11.990 11.402 -4.577 615 HB3 ASP 71 3HB ASP 71 -10.252 11.165 -4.418 616 H ARG 72 HN ARG 72 -11.399 9.178 -7.551 617 HA ARG 72 HA ARG 72 -13.929 9.573 -8.343 618 HB2 ARG 72 2HB ARG 72 -12.063 7.384 -9.259 619 HB3 ARG 72 3HB ARG 72 -13.565 7.778 -10.085 620 HG2 ARG 72 2HG ARG 72 -12.763 9.751 -10.906 621 HG3 ARG 72 3HG ARG 72 -11.623 9.967 -9.575 622 HD2 ARG 72 2HD ARG 72 -10.363 7.981 -10.523 623 HD3 ARG 72 3HD ARG 72 -11.386 8.138 -11.951 624 HE ARG 72 HE ARG 72 -10.378 10.625 -11.646 625 HH11 ARG 72 2HH1 ARG 72 -8.925 7.465 -11.781 626 HH12 ARG 72 1HH1 ARG 72 -7.444 8.033 -12.480 627 HH21 ARG 72 2HH2 ARG 72 -8.434 11.385 -12.565 628 HH22 ARG 72 1HH2 ARG 72 -7.166 10.263 -12.925 629 H GLU 73 HN GLU 73 -12.755 6.396 -7.222 630 HA GLU 73 HA GLU 73 -15.519 5.767 -6.427 631 HB2 GLU 73 2HB GLU 73 -13.562 4.085 -7.961 632 HB3 GLU 73 3HB GLU 73 -14.799 3.326 -6.968 633 HG2 GLU 73 2HG GLU 73 -16.509 4.619 -8.241 634 HG3 GLU 73 3HG GLU 73 -15.218 5.163 -9.311 635 H ALA 74 HN ALA 74 -13.185 6.806 -4.931 636 HA ALA 74 HA ALA 74 -11.910 6.361 -3.066 637 HB1 ALA 74 1HB ALA 74 -13.275 6.210 -1.274 638 HB2 ALA 74 2HB ALA 74 -14.533 6.399 -2.496 639 HB3 ALA 74 3HB ALA 74 -14.119 4.793 -1.898 640 H THR 75 HN THR 75 -11.057 4.614 -4.899 641 HA THR 75 HA THR 75 -10.944 2.027 -3.489 642 HB THR 75 HB THR 75 -10.659 2.617 -6.438 643 HG1 THR 75 1HG THR 75 -12.742 2.235 -6.243 644 HG21 THR 75 3HG2 THR 75 -10.368 -0.055 -5.066 645 HG22 THR 75 1HG2 THR 75 -9.012 0.920 -5.629 646 HG23 THR 75 2HG2 THR 75 -10.183 0.288 -6.786 647 H VAL 76 HN VAL 76 -9.043 1.438 -2.676 648 HA VAL 76 HA VAL 76 -6.683 3.036 -3.310 649 HB VAL 76 HB VAL 76 -7.003 0.908 -1.191 650 HG11 VAL 76 1HG1 VAL 76 -4.736 2.322 -2.185 651 HG12 VAL 76 2HG1 VAL 76 -5.054 2.844 -0.529 652 HG13 VAL 76 3HG1 VAL 76 -4.816 1.133 -0.885 653 HG21 VAL 76 3HG2 VAL 76 -7.918 2.402 0.206 654 HG22 VAL 76 1HG2 VAL 76 -6.851 3.698 -0.336 655 HG23 VAL 76 2HG2 VAL 76 -8.309 3.313 -1.252 656 H LEU 77 HN LEU 77 -4.939 2.287 -4.373 657 HA LEU 77 HA LEU 77 -4.795 -0.586 -4.976 658 HB2 LEU 77 2HB LEU 77 -5.753 0.659 -6.890 659 HB3 LEU 77 3HB LEU 77 -4.284 1.631 -6.954 660 HG LEU 77 HG LEU 77 -4.103 -1.341 -7.218 661 HD11 LEU 77 1HD1 LEU 77 -5.538 0.404 -9.011 662 HD12 LEU 77 2HD1 LEU 77 -5.356 -1.350 -9.051 663 HD13 LEU 77 3HD1 LEU 77 -4.139 -0.320 -9.806 664 HD21 LEU 77 3HD2 LEU 77 -2.484 0.367 -8.921 665 HD22 LEU 77 1HD2 LEU 77 -1.997 -0.913 -7.810 666 HD23 LEU 77 2HD2 LEU 77 -2.271 0.722 -7.206 667 H VAL 78 HN VAL 78 -2.887 -1.432 -4.479 668 HA VAL 78 HA VAL 78 -0.709 0.275 -3.664 669 HB VAL 78 HB VAL 78 -0.756 -2.739 -3.854 670 HG11 VAL 78 1HG1 VAL 78 1.160 -0.744 -2.774 671 HG12 VAL 78 2HG1 VAL 78 0.953 -2.257 -1.890 672 HG13 VAL 78 3HG1 VAL 78 1.462 -2.283 -3.580 673 HG21 VAL 78 3HG2 VAL 78 -1.495 -0.913 -1.572 674 HG22 VAL 78 1HG2 VAL 78 -2.546 -2.052 -2.412 675 HG23 VAL 78 2HG2 VAL 78 -1.224 -2.648 -1.409 676 H LEU 79 HN LEU 79 1.109 0.733 -4.759 677 HA LEU 79 HA LEU 79 1.405 -0.449 -7.438 678 HB2 LEU 79 2HB LEU 79 2.493 2.161 -6.394 679 HB3 LEU 79 3HB LEU 79 2.636 1.558 -8.043 680 HG LEU 79 HG LEU 79 -0.062 2.047 -6.839 681 HD11 LEU 79 1HD1 LEU 79 1.900 4.039 -7.105 682 HD12 LEU 79 2HD1 LEU 79 0.175 4.249 -6.806 683 HD13 LEU 79 3HD1 LEU 79 0.789 4.246 -8.459 684 HD21 LEU 79 3HD2 LEU 79 0.806 2.454 -9.676 685 HD22 LEU 79 1HD2 LEU 79 -0.802 2.107 -9.039 686 HD23 LEU 79 2HD2 LEU 79 0.427 0.842 -9.068 687 H ARG 80 HN ARG 80 3.376 0.848 -4.763 688 HA ARG 80 HA ARG 80 5.449 -1.124 -5.470 689 HB2 ARG 80 2HB ARG 80 5.625 1.725 -4.612 690 HB3 ARG 80 3HB ARG 80 6.891 0.624 -4.085 691 HG2 ARG 80 2HG ARG 80 6.098 0.844 -6.967 692 HG3 ARG 80 3HG ARG 80 7.273 1.938 -6.235 693 HD2 ARG 80 2HD ARG 80 8.801 0.229 -5.838 694 HD3 ARG 80 3HD ARG 80 7.571 -1.028 -5.962 695 HE ARG 80 HE ARG 80 7.912 -1.083 -8.222 696 HH11 ARG 80 2HH1 ARG 80 9.276 1.852 -6.940 697 HH12 ARG 80 1HH1 ARG 80 10.030 2.308 -8.432 698 HH21 ARG 80 2HH2 ARG 80 8.900 -0.495 -10.192 699 HH22 ARG 80 1HH2 ARG 80 9.815 0.972 -10.281 700 H VAL 81 HN VAL 81 6.563 -2.157 -3.766 701 HA VAL 81 HA VAL 81 5.623 -1.768 -1.044 702 HB VAL 81 HB VAL 81 4.023 -3.390 -2.072 703 HG11 VAL 81 1HG1 VAL 81 4.656 -5.283 -3.108 704 HG12 VAL 81 2HG1 VAL 81 6.196 -4.445 -3.307 705 HG13 VAL 81 3HG1 VAL 81 5.975 -5.582 -1.977 706 HG21 VAL 81 3HG2 VAL 81 5.180 -5.188 -0.175 707 HG22 VAL 81 1HG2 VAL 81 5.391 -3.530 0.389 708 HG23 VAL 81 2HG2 VAL 81 3.778 -4.134 0.007 709 H GLY 82 HN GLY 82 7.436 -1.653 0.098 710 HA2 GLY 82 1HA GLY 82 9.377 -3.790 -0.029 711 HA3 GLY 82 2HA GLY 82 9.981 -2.244 -0.607 712 H HIS 83 HN HIS 83 11.005 -3.662 1.624 713 HA HIS 83 HA HIS 83 10.039 -2.823 4.101 714 HB2 HIS 83 2HB HIS 83 11.767 -4.572 3.788 715 HB3 HIS 83 3HB HIS 83 12.924 -3.323 3.336 716 HD2 HIS 83 2HD HIS 83 11.700 -5.112 6.446 717 HE1 HIS 83 1HE HIS 83 13.758 -1.653 7.787 718 HE2 HIS 83 2HE HIS 83 12.810 -3.893 8.439 719 H ALA 84 HN ALA 84 10.904 -1.213 5.568 720 HA ALA 84 HA ALA 84 10.744 1.360 4.770 721 HB1 ALA 84 1HB ALA 84 10.907 1.453 6.995 722 HB2 ALA 84 2HB ALA 84 11.912 0.005 7.070 723 HB3 ALA 84 3HB ALA 84 12.648 1.573 6.737 724 H ARG 85 HN ARG 85 13.880 -0.288 5.228 725 HA ARG 85 HA ARG 85 15.451 1.746 4.123 726 HB2 ARG 85 2HB ARG 85 17.206 0.038 3.918 727 HB3 ARG 85 3HB ARG 85 16.401 -0.044 5.479 728 HG2 ARG 85 2HG ARG 85 14.978 -1.890 4.505 729 HG3 ARG 85 3HG ARG 85 16.094 -1.898 3.139 730 HD2 ARG 85 2HD ARG 85 16.917 -2.264 6.016 731 HD3 ARG 85 3HD ARG 85 16.616 -3.589 4.892 732 HE ARG 85 HE ARG 85 18.460 -2.001 3.637 733 HH11 ARG 85 2HH1 ARG 85 18.283 -3.681 6.681 734 HH12 ARG 85 1HH1 ARG 85 19.992 -3.948 6.782 735 HH21 ARG 85 2HH2 ARG 85 20.711 -2.347 3.758 736 HH22 ARG 85 1HH2 ARG 85 21.372 -3.188 5.119 737 H ASP 86 HN ASP 86 14.340 -1.288 2.615 738 HA ASP 86 HA ASP 86 15.362 -1.035 0.105 739 HB2 ASP 86 2HB ASP 86 12.646 -2.049 0.949 740 HB3 ASP 86 3HB ASP 86 13.261 -2.211 -0.694 741 H VAL 87 HN VAL 87 12.143 0.189 1.046 742 HA VAL 87 HA VAL 87 11.818 1.680 -1.362 743 HB VAL 87 HB VAL 87 10.319 2.004 1.241 744 HG11 VAL 87 1HG1 VAL 87 8.596 3.030 -0.054 745 HG12 VAL 87 2HG1 VAL 87 10.112 3.843 -0.445 746 HG13 VAL 87 3HG1 VAL 87 9.431 2.660 -1.562 747 HG21 VAL 87 3HG2 VAL 87 10.399 -0.329 0.143 748 HG22 VAL 87 1HG2 VAL 87 8.828 0.346 0.575 749 HG23 VAL 87 2HG2 VAL 87 9.375 0.389 -1.101 750 H TYR 88 HN TYR 88 12.428 3.694 -1.844 751 HA TYR 88 HA TYR 88 14.364 5.124 -0.669 752 HB2 TYR 88 2HB TYR 88 13.702 6.031 -2.684 753 HB3 TYR 88 3HB TYR 88 11.992 5.975 -2.271 754 HD1 TYR 88 2HD TYR 88 15.140 7.724 -1.287 755 HD2 TYR 88 1HD TYR 88 10.911 7.943 -1.702 756 HE1 TYR 88 2HE TYR 88 15.211 10.110 -0.695 757 HE2 TYR 88 1HE TYR 88 10.971 10.330 -1.111 758 HH TYR 88 HH TYR 88 13.864 12.121 -0.992 759 H ARG 89 HN ARG 89 14.667 5.839 1.324 760 HA ARG 89 HA ARG 89 12.634 6.085 3.252 761 HB2 ARG 89 2HB ARG 89 14.329 6.969 4.710 762 HB3 ARG 89 3HB ARG 89 15.044 5.684 3.746 763 HG2 ARG 89 2HG ARG 89 15.280 8.511 2.828 764 HG3 ARG 89 3HG ARG 89 16.324 7.918 4.122 765 HD2 ARG 89 2HD ARG 89 16.671 5.921 2.414 766 HD3 ARG 89 3HD ARG 89 16.235 7.170 1.248 767 HE ARG 89 HE ARG 89 18.125 8.410 2.664 768 HH11 ARG 89 2HH1 ARG 89 18.026 5.215 1.284 769 HH12 ARG 89 1HH1 ARG 89 19.738 5.130 1.031 770 HH21 ARG 89 2HH2 ARG 89 20.380 8.310 2.336 771 HH22 ARG 89 1HH2 ARG 89 21.076 6.891 1.630 Start of MODEL 19 1 H1 MET 1 HN MET 1 -19.954 0.291 3.180 2 HA MET 1 HA MET 1 -19.792 3.035 2.649 3 HB2 MET 1 2HB MET 1 -19.495 3.301 5.082 4 HB3 MET 1 3HB MET 1 -20.794 2.180 4.694 5 HG2 MET 1 2HG MET 1 -19.023 0.346 4.995 6 HG3 MET 1 3HG MET 1 -18.076 1.597 5.798 7 HE1 MET 1 3HE MET 1 -21.820 -0.255 6.188 8 HE2 MET 1 1HE MET 1 -20.290 -1.106 5.971 9 HE3 MET 1 2HE MET 1 -21.070 -1.084 7.553 10 H GLY 2 HN GLY 2 -17.314 0.760 3.795 11 HA2 GLY 2 1HA GLY 2 -15.261 2.738 3.962 12 HA3 GLY 2 2HA GLY 2 -15.032 0.997 4.012 13 H TYR 3 HN TYR 3 -13.128 1.353 2.722 14 HA TYR 3 HA TYR 3 -13.709 1.967 -0.098 15 HB2 TYR 3 2HB TYR 3 -11.192 2.222 1.538 16 HB3 TYR 3 3HB TYR 3 -11.157 2.229 -0.222 17 HD1 TYR 3 2HD TYR 3 -13.249 3.858 2.423 18 HD2 TYR 3 1HD TYR 3 -10.949 4.332 -1.125 19 HE1 TYR 3 2HE TYR 3 -13.748 6.266 2.428 20 HE2 TYR 3 1HE TYR 3 -11.440 6.742 -1.129 21 HH TYR 3 HH TYR 3 -12.543 8.396 1.448 22 H ARG 4 HN ARG 4 -12.057 0.803 -1.601 23 HA ARG 4 HA ARG 4 -12.230 -2.051 -0.959 24 HB2 ARG 4 2HB ARG 4 -13.300 -1.362 -3.039 25 HB3 ARG 4 3HB ARG 4 -11.795 -0.642 -3.598 26 HG2 ARG 4 2HG ARG 4 -10.773 -2.734 -3.888 27 HG3 ARG 4 3HG ARG 4 -12.012 -3.560 -2.940 28 HD2 ARG 4 2HD ARG 4 -12.440 -2.223 -5.610 29 HD3 ARG 4 3HD ARG 4 -12.271 -3.959 -5.349 30 HE ARG 4 HE ARG 4 -14.397 -2.700 -3.851 31 HH11 ARG 4 2HH1 ARG 4 -13.483 -4.335 -6.785 32 HH12 ARG 4 1HH1 ARG 4 -15.095 -4.851 -7.154 33 HH21 ARG 4 2HH2 ARG 4 -16.524 -3.374 -4.325 34 HH22 ARG 4 1HH2 ARG 4 -16.824 -4.303 -5.754 35 H ILE 5 HN ILE 5 -10.455 -3.460 -1.411 36 HA ILE 5 HA ILE 5 -7.844 -2.103 -1.254 37 HB ILE 5 HB ILE 5 -8.481 -4.869 -0.231 38 HG12 ILE 5 2HG1 ILE 5 -9.753 -3.226 1.050 39 HG13 ILE 5 3HG1 ILE 5 -8.430 -3.859 2.023 40 HG21 ILE 5 1HG2 ILE 5 -6.296 -5.081 0.090 41 HG22 ILE 5 2HG2 ILE 5 -6.055 -3.547 -0.746 42 HG23 ILE 5 3HG2 ILE 5 -6.249 -3.575 1.007 43 HD11 ILE 5 3HD1 ILE 5 -7.126 -1.841 1.517 44 HD12 ILE 5 1HD1 ILE 5 -8.499 -1.204 0.612 45 HD13 ILE 5 2HD1 ILE 5 -8.640 -1.484 2.348 46 H GLU 6 HN GLU 6 -6.862 -2.181 -3.166 47 HA GLU 6 HA GLU 6 -6.924 -4.724 -4.655 48 HB2 GLU 6 2HB GLU 6 -6.905 -1.901 -5.729 49 HB3 GLU 6 3HB GLU 6 -6.616 -3.324 -6.720 50 HG2 GLU 6 2HG GLU 6 -8.891 -4.136 -5.825 51 HG3 GLU 6 3HG GLU 6 -9.135 -2.450 -5.371 52 H PHE 7 HN PHE 7 -5.024 -5.085 -6.047 53 HA PHE 7 HA PHE 7 -2.603 -3.707 -5.130 54 HB2 PHE 7 2HB PHE 7 -3.172 -6.650 -4.989 55 HB3 PHE 7 3HB PHE 7 -1.520 -6.077 -5.192 56 HD1 PHE 7 1HD PHE 7 -4.505 -5.606 -3.019 57 HD2 PHE 7 2HD PHE 7 -0.261 -5.565 -3.328 58 HE1 PHE 7 1HE PHE 7 -4.335 -5.258 -0.589 59 HE2 PHE 7 2HE PHE 7 -0.084 -5.218 -0.899 60 HZ PHE 7 HZ PHE 7 -2.122 -5.064 0.474 61 H ASP 8 HN ASP 8 -1.264 -3.190 -6.740 62 HA ASP 8 HA ASP 8 -1.953 -3.558 -9.427 63 HB2 ASP 8 2HB ASP 8 0.419 -2.520 -7.968 64 HB3 ASP 8 3HB ASP 8 0.653 -2.967 -9.656 65 HA PRO 9 HA PRO 9 -0.320 -7.442 -10.640 66 HB2 PRO 9 2HB PRO 9 0.802 -6.901 -13.053 67 HB3 PRO 9 3HB PRO 9 -0.946 -6.937 -12.793 68 HG2 PRO 9 2HG PRO 9 0.902 -4.585 -12.918 69 HG3 PRO 9 3HG PRO 9 -0.707 -4.784 -13.638 70 HD2 PRO 9 2HD PRO 9 -0.298 -3.405 -11.344 71 HD3 PRO 9 3HD PRO 9 -1.789 -4.315 -11.657 72 H ARG 10 HN ARG 10 1.786 -4.799 -10.139 73 HA ARG 10 HA ARG 10 4.191 -6.427 -10.478 74 HB2 ARG 10 2HB ARG 10 3.672 -3.496 -10.137 75 HB3 ARG 10 3HB ARG 10 5.261 -4.148 -9.760 76 HG2 ARG 10 2HG ARG 10 5.666 -4.772 -11.964 77 HG3 ARG 10 3HG ARG 10 3.956 -4.701 -12.395 78 HD2 ARG 10 2HD ARG 10 3.945 -2.360 -12.430 79 HD3 ARG 10 3HD ARG 10 5.453 -2.253 -11.524 80 HE ARG 10 HE ARG 10 5.152 -2.671 -14.370 81 HH11 ARG 10 2HH1 ARG 10 7.260 -2.854 -11.605 82 HH12 ARG 10 1HH1 ARG 10 8.714 -2.799 -12.546 83 HH21 ARG 10 2HH2 ARG 10 7.059 -2.599 -15.619 84 HH22 ARG 10 1HH2 ARG 10 8.598 -2.654 -14.829 85 H ALA 11 HN ALA 11 2.568 -4.474 -7.990 86 HA ALA 11 HA ALA 11 4.324 -5.012 -5.884 87 HB1 ALA 11 1HB ALA 11 2.745 -3.255 -5.639 88 HB2 ALA 11 2HB ALA 11 1.387 -4.353 -5.886 89 HB3 ALA 11 3HB ALA 11 2.357 -4.467 -4.417 90 H GLU 12 HN GLU 12 1.334 -6.691 -6.834 91 HA GLU 12 HA GLU 12 1.000 -8.528 -4.893 92 HB2 GLU 12 2HB GLU 12 0.689 -8.673 -7.851 93 HB3 GLU 12 3HB GLU 12 0.558 -10.172 -6.942 94 HG2 GLU 12 2HG GLU 12 -1.144 -8.965 -5.494 95 HG3 GLU 12 3HG GLU 12 -1.152 -7.718 -6.740 96 H LYS 13 HN LYS 13 3.393 -8.759 -7.500 97 HA LYS 13 HA LYS 13 4.455 -11.254 -6.588 98 HB2 LYS 13 2HB LYS 13 5.454 -9.198 -8.558 99 HB3 LYS 13 3HB LYS 13 6.328 -10.683 -8.203 100 HG2 LYS 13 2HG LYS 13 3.468 -10.790 -9.062 101 HG3 LYS 13 3HG LYS 13 4.756 -10.587 -10.252 102 HD2 LYS 13 2HD LYS 13 5.797 -12.643 -9.544 103 HD3 LYS 13 3HD LYS 13 4.640 -12.817 -8.222 104 HE2 LYS 13 2HE LYS 13 3.686 -14.208 -9.765 105 HE3 LYS 13 3HE LYS 13 2.894 -12.693 -10.194 106 HZ1 LYS 13 3HZ LYS 13 5.352 -12.937 -11.572 107 HZ2 LYS 13 1HZ LYS 13 3.790 -12.783 -12.202 108 HZ3 LYS 13 2HZ LYS 13 4.408 -14.315 -11.841 109 H GLU 14 HN GLU 14 5.412 -7.862 -6.278 110 HA GLU 14 HA GLU 14 7.891 -8.215 -5.064 111 HB2 GLU 14 2HB GLU 14 5.860 -6.020 -4.621 112 HB3 GLU 14 3HB GLU 14 7.541 -5.950 -4.109 113 HG2 GLU 14 2HG GLU 14 8.015 -6.426 -6.636 114 HG3 GLU 14 3HG GLU 14 6.384 -5.793 -6.846 115 H LEU 15 HN LEU 15 4.654 -8.297 -3.697 116 HA LEU 15 HA LEU 15 5.535 -8.387 -0.974 117 HB2 LEU 15 2HB LEU 15 3.248 -7.656 -1.941 118 HB3 LEU 15 3HB LEU 15 2.873 -9.378 -1.922 119 HG LEU 15 HG LEU 15 3.422 -9.325 0.556 120 HD11 LEU 15 1HD1 LEU 15 3.134 -7.073 1.603 121 HD12 LEU 15 2HD1 LEU 15 3.322 -6.368 -0.002 122 HD13 LEU 15 3HD1 LEU 15 4.644 -7.287 0.717 123 HD21 LEU 15 3HD2 LEU 15 1.190 -9.525 0.367 124 HD22 LEU 15 1HD2 LEU 15 1.071 -8.243 -0.838 125 HD23 LEU 15 2HD2 LEU 15 1.181 -7.836 0.875 126 H GLU 16 HN GLU 16 4.146 -10.814 -3.185 127 HA GLU 16 HA GLU 16 4.168 -13.034 -1.605 128 HB2 GLU 16 2HB GLU 16 4.593 -12.597 -4.517 129 HB3 GLU 16 3HB GLU 16 4.963 -14.191 -3.875 130 HG2 GLU 16 2HG GLU 16 2.649 -14.188 -2.871 131 HG3 GLU 16 3HG GLU 16 2.329 -12.752 -3.842 132 H LYS 17 HN LYS 17 6.925 -11.535 -3.201 133 HA LYS 17 HA LYS 17 8.813 -13.559 -2.685 134 HB2 LYS 17 2HB LYS 17 9.084 -10.595 -3.160 135 HB3 LYS 17 3HB LYS 17 10.480 -11.635 -2.912 136 HG2 LYS 17 2HG LYS 17 9.694 -13.010 -4.847 137 HG3 LYS 17 3HG LYS 17 8.467 -11.775 -5.142 138 HD2 LYS 17 2HD LYS 17 10.185 -10.101 -5.476 139 HD3 LYS 17 3HD LYS 17 11.442 -11.272 -5.071 140 HE2 LYS 17 2HE LYS 17 11.116 -12.478 -7.045 141 HE3 LYS 17 3HE LYS 17 9.528 -11.767 -7.325 142 HZ1 LYS 17 3HZ LYS 17 11.552 -9.771 -7.248 143 HZ2 LYS 17 1HZ LYS 17 10.436 -10.118 -8.471 144 HZ3 LYS 17 2HZ LYS 17 11.911 -10.944 -8.413 145 H LEU 18 HN LEU 18 7.808 -10.731 -0.816 146 HA LEU 18 HA LEU 18 9.730 -10.860 1.205 147 HB2 LEU 18 2HB LEU 18 6.866 -9.932 1.303 148 HB3 LEU 18 3HB LEU 18 8.033 -9.675 2.598 149 HG LEU 18 HG LEU 18 8.433 -8.619 -0.193 150 HD11 LEU 18 1HD1 LEU 18 6.416 -7.823 1.533 151 HD12 LEU 18 2HD1 LEU 18 7.065 -6.906 0.174 152 HD13 LEU 18 3HD1 LEU 18 7.706 -6.649 1.797 153 HD21 LEU 18 3HD2 LEU 18 10.275 -8.907 1.688 154 HD22 LEU 18 1HD2 LEU 18 9.569 -7.396 2.263 155 HD23 LEU 18 2HD2 LEU 18 10.234 -7.494 0.632 156 H ASP 19 HN ASP 19 8.888 -11.248 3.607 157 HA ASP 19 HA ASP 19 8.574 -14.057 3.856 158 HB2 ASP 19 2HB ASP 19 9.690 -12.326 5.469 159 HB3 ASP 19 3HB ASP 19 8.066 -12.174 6.133 160 H ARG 20 HN ARG 20 6.858 -15.172 4.998 161 HA ARG 20 HA ARG 20 4.308 -14.583 3.964 162 HB2 ARG 20 2HB ARG 20 5.257 -16.479 6.104 163 HB3 ARG 20 3HB ARG 20 3.561 -16.355 5.656 164 HG2 ARG 20 2HG ARG 20 4.235 -18.101 4.344 165 HG3 ARG 20 3HG ARG 20 4.476 -16.746 3.240 166 HD2 ARG 20 2HD ARG 20 6.825 -16.700 3.711 167 HD3 ARG 20 3HD ARG 20 6.638 -17.890 4.998 168 HE ARG 20 HE ARG 20 5.717 -18.942 2.540 169 HH11 ARG 20 2HH1 ARG 20 8.639 -18.129 4.248 170 HH12 ARG 20 1HH1 ARG 20 9.605 -19.308 3.422 171 HH21 ARG 20 2HH2 ARG 20 6.977 -20.498 1.447 172 HH22 ARG 20 1HH2 ARG 20 8.658 -20.654 1.829 173 H GLU 21 HN GLU 21 5.655 -14.214 7.230 174 HA GLU 21 HA GLU 21 3.340 -13.260 8.478 175 HB2 GLU 21 2HB GLU 21 6.270 -12.982 9.049 176 HB3 GLU 21 3HB GLU 21 5.101 -12.087 10.010 177 HG2 GLU 21 2HG GLU 21 4.061 -14.104 10.752 178 HG3 GLU 21 3HG GLU 21 5.027 -15.070 9.639 179 H VAL 22 HN VAL 22 5.950 -11.524 6.825 180 HA VAL 22 HA VAL 22 5.092 -8.917 7.374 181 HB VAL 22 HB VAL 22 6.568 -9.932 4.941 182 HG11 VAL 22 1HG1 VAL 22 6.330 -7.128 6.027 183 HG12 VAL 22 2HG1 VAL 22 7.322 -7.630 4.657 184 HG13 VAL 22 3HG1 VAL 22 5.564 -7.734 4.560 185 HG21 VAL 22 3HG2 VAL 22 7.845 -8.516 7.237 186 HG22 VAL 22 1HG2 VAL 22 7.490 -10.239 7.366 187 HG23 VAL 22 2HG2 VAL 22 8.549 -9.650 6.084 188 H ALA 23 HN ALA 23 4.564 -10.842 4.415 189 HA ALA 23 HA ALA 23 2.922 -9.091 3.058 190 HB1 ALA 23 1HB ALA 23 3.886 -11.329 2.289 191 HB2 ALA 23 2HB ALA 23 2.448 -12.054 3.010 192 HB3 ALA 23 3HB ALA 23 2.283 -10.887 1.699 193 H ARG 24 HN ARG 24 1.934 -11.657 5.322 194 HA ARG 24 HA ARG 24 -0.821 -11.204 5.189 195 HB2 ARG 24 2HB ARG 24 0.999 -12.453 7.205 196 HB3 ARG 24 3HB ARG 24 -0.678 -12.158 7.641 197 HG2 ARG 24 2HG ARG 24 -1.371 -13.464 5.649 198 HG3 ARG 24 3HG ARG 24 0.328 -13.846 5.363 199 HD2 ARG 24 2HD ARG 24 0.488 -15.128 7.309 200 HD3 ARG 24 3HD ARG 24 -0.967 -14.417 8.005 201 HE ARG 24 HE ARG 24 -1.667 -15.770 5.654 202 HH11 ARG 24 2HH1 ARG 24 -0.520 -16.438 8.872 203 HH12 ARG 24 1HH1 ARG 24 -1.260 -18.002 8.952 204 HH21 ARG 24 2HH2 ARG 24 -2.646 -17.828 5.746 205 HH22 ARG 24 1HH2 ARG 24 -2.469 -18.792 7.173 206 H ARG 25 HN ARG 25 1.591 -9.910 7.460 207 HA ARG 25 HA ARG 25 -0.135 -8.406 9.047 208 HB2 ARG 25 2HB ARG 25 2.116 -8.742 9.771 209 HB3 ARG 25 3HB ARG 25 2.762 -7.990 8.319 210 HG2 ARG 25 2HG ARG 25 1.964 -5.832 9.021 211 HG3 ARG 25 3HG ARG 25 1.155 -6.549 10.416 212 HD2 ARG 25 2HD ARG 25 4.126 -6.496 9.899 213 HD3 ARG 25 3HD ARG 25 3.254 -5.520 11.080 214 HE ARG 25 HE ARG 25 3.111 -7.358 12.468 215 HH11 ARG 25 2HH1 ARG 25 4.330 -8.300 9.346 216 HH12 ARG 25 1HH1 ARG 25 4.808 -9.882 9.865 217 HH21 ARG 25 2HH2 ARG 25 3.736 -9.438 13.164 218 HH22 ARG 25 1HH2 ARG 25 4.469 -10.529 12.037 219 H ILE 26 HN ILE 26 1.502 -7.565 6.027 220 HA ILE 26 HA ILE 26 0.759 -4.852 5.959 221 HB ILE 26 HB ILE 26 1.502 -6.795 3.785 222 HG12 ILE 26 2HG1 ILE 26 2.927 -4.321 4.770 223 HG13 ILE 26 3HG1 ILE 26 3.209 -5.924 5.440 224 HG21 ILE 26 1HG2 ILE 26 0.333 -5.445 2.406 225 HG22 ILE 26 2HG2 ILE 26 0.328 -4.103 3.549 226 HG23 ILE 26 3HG2 ILE 26 1.754 -4.412 2.560 227 HD11 ILE 26 3HD1 ILE 26 3.555 -5.285 2.527 228 HD12 ILE 26 1HD1 ILE 26 4.853 -5.146 3.712 229 HD13 ILE 26 2HD1 ILE 26 4.105 -6.713 3.403 230 H LEU 27 HN LEU 27 -0.628 -7.562 4.092 231 HA LEU 27 HA LEU 27 -2.788 -6.250 3.004 232 HB2 LEU 27 2HB LEU 27 -2.681 -9.100 3.979 233 HB3 LEU 27 3HB LEU 27 -3.882 -8.447 2.867 234 HG LEU 27 HG LEU 27 -0.947 -8.444 2.220 235 HD11 LEU 27 1HD1 LEU 27 -2.248 -10.753 2.718 236 HD12 LEU 27 2HD1 LEU 27 -0.961 -10.583 1.525 237 HD13 LEU 27 3HD1 LEU 27 -2.648 -10.520 1.016 238 HD21 LEU 27 3HD2 LEU 27 -3.266 -7.412 0.978 239 HD22 LEU 27 1HD2 LEU 27 -2.710 -8.774 0.007 240 HD23 LEU 27 2HD2 LEU 27 -1.614 -7.438 0.360 241 H ARG 28 HN ARG 28 -2.598 -7.882 6.150 242 HA ARG 28 HA ARG 28 -5.261 -7.516 6.925 243 HB2 ARG 28 2HB ARG 28 -3.416 -8.933 8.028 244 HB3 ARG 28 3HB ARG 28 -2.956 -7.452 8.858 245 HG2 ARG 28 2HG ARG 28 -4.881 -7.399 10.118 246 HG3 ARG 28 3HG ARG 28 -5.789 -8.376 8.963 247 HD2 ARG 28 2HD ARG 28 -3.443 -9.574 10.363 248 HD3 ARG 28 3HD ARG 28 -4.965 -9.397 11.235 249 HE ARG 28 HE ARG 28 -5.255 -10.652 8.669 250 HH11 ARG 28 2HH1 ARG 28 -4.519 -11.165 12.033 251 HH12 ARG 28 1HH1 ARG 28 -4.990 -12.832 12.017 252 HH21 ARG 28 2HH2 ARG 28 -5.878 -12.846 8.635 253 HH22 ARG 28 1HH2 ARG 28 -5.762 -13.788 10.083 254 H PHE 29 HN PHE 29 -2.409 -5.473 7.466 255 HA PHE 29 HA PHE 29 -3.589 -3.516 9.048 256 HB2 PHE 29 2HB PHE 29 -1.238 -3.449 8.845 257 HB3 PHE 29 3HB PHE 29 -1.308 -3.423 7.086 258 HD1 PHE 29 1HD PHE 29 -1.962 -1.422 10.124 259 HD2 PHE 29 2HD PHE 29 -1.406 -1.396 5.904 260 HE1 PHE 29 1HE PHE 29 -1.819 1.034 10.162 261 HE2 PHE 29 2HE PHE 29 -1.262 1.060 5.935 262 HZ PHE 29 HZ PHE 29 -1.467 2.278 8.066 263 H LEU 30 HN LEU 30 -3.628 -3.945 5.564 264 HA LEU 30 HA LEU 30 -5.020 -1.426 5.153 265 HB2 LEU 30 2HB LEU 30 -4.043 -3.583 3.303 266 HB3 LEU 30 3HB LEU 30 -5.046 -2.246 2.745 267 HG LEU 30 HG LEU 30 -2.518 -1.633 4.203 268 HD11 LEU 30 1HD1 LEU 30 -1.529 -1.584 1.779 269 HD12 LEU 30 2HD1 LEU 30 -2.733 -2.838 1.487 270 HD13 LEU 30 3HD1 LEU 30 -1.505 -3.069 2.731 271 HD21 LEU 30 3HD2 LEU 30 -2.859 -0.012 1.971 272 HD22 LEU 30 1HD2 LEU 30 -3.232 0.398 3.645 273 HD23 LEU 30 2HD2 LEU 30 -4.490 -0.259 2.598 274 H ARG 31 HN ARG 31 -5.743 -4.749 5.622 275 HA ARG 31 HA ARG 31 -8.423 -4.497 4.495 276 HB2 ARG 31 2HB ARG 31 -6.856 -6.811 5.620 277 HB3 ARG 31 3HB ARG 31 -8.574 -6.936 5.267 278 HG2 ARG 31 2HG ARG 31 -8.184 -6.488 2.939 279 HG3 ARG 31 3HG ARG 31 -6.476 -6.172 3.249 280 HD2 ARG 31 2HD ARG 31 -6.543 -8.362 2.409 281 HD3 ARG 31 3HD ARG 31 -6.369 -8.549 4.153 282 HE ARG 31 HE ARG 31 -8.393 -9.599 4.189 283 HH11 ARG 31 2HH1 ARG 31 -8.146 -7.754 1.247 284 HH12 ARG 31 1HH1 ARG 31 -9.631 -8.358 0.590 285 HH21 ARG 31 2HH2 ARG 31 -10.350 -10.401 3.334 286 HH22 ARG 31 1HH2 ARG 31 -10.884 -9.863 1.778 287 H GLU 32 HN GLU 32 -6.888 -3.897 7.394 288 HA GLU 32 HA GLU 32 -9.390 -4.275 8.905 289 HB2 GLU 32 2HB GLU 32 -6.522 -4.585 9.718 290 HB3 GLU 32 3HB GLU 32 -7.731 -4.161 10.921 291 HG2 GLU 32 2HG GLU 32 -8.214 -6.494 9.136 292 HG3 GLU 32 3HG GLU 32 -7.093 -6.653 10.487 293 H ARG 33 HN ARG 33 -6.420 -2.413 9.503 294 HA ARG 33 HA ARG 33 -7.608 -0.262 10.752 295 HB2 ARG 33 2HB ARG 33 -5.160 -0.130 8.984 296 HB3 ARG 33 3HB ARG 33 -5.581 0.986 10.276 297 HG2 ARG 33 2HG ARG 33 -5.264 -1.904 10.917 298 HG3 ARG 33 3HG ARG 33 -3.825 -0.916 10.654 299 HD2 ARG 33 2HD ARG 33 -4.258 0.433 12.485 300 HD3 ARG 33 3HD ARG 33 -5.978 0.041 12.493 301 HE ARG 33 HE ARG 33 -4.551 -2.296 13.041 302 HH11 ARG 33 2HH1 ARG 33 -5.202 0.801 14.489 303 HH12 ARG 33 1HH1 ARG 33 -5.050 0.220 16.114 304 HH21 ARG 33 2HH2 ARG 33 -4.348 -3.074 15.175 305 HH22 ARG 33 1HH2 ARG 33 -4.564 -1.985 16.503 306 H VAL 34 HN VAL 34 -6.295 0.010 7.454 307 HA VAL 34 HA VAL 34 -7.691 2.309 6.758 308 HB VAL 34 HB VAL 34 -6.846 0.130 4.846 309 HG11 VAL 34 1HG1 VAL 34 -8.351 2.126 4.134 310 HG12 VAL 34 2HG1 VAL 34 -6.860 3.062 4.259 311 HG13 VAL 34 3HG1 VAL 34 -6.955 1.695 3.148 312 HG21 VAL 34 3HG2 VAL 34 -4.887 2.041 4.778 313 HG22 VAL 34 1HG2 VAL 34 -5.286 1.971 6.494 314 HG23 VAL 34 2HG2 VAL 34 -4.787 0.509 5.644 315 H ALA 35 HN ALA 35 -8.710 -1.018 6.764 316 HA ALA 35 HA ALA 35 -10.940 -0.778 5.044 317 HB1 ALA 35 1HB ALA 35 -11.730 -2.857 6.215 318 HB2 ALA 35 2HB ALA 35 -10.114 -2.954 5.514 319 HB3 ALA 35 3HB ALA 35 -10.309 -2.724 7.252 320 H THR 36 HN THR 36 -10.635 -0.567 8.578 321 HA THR 36 HA THR 36 -13.429 0.123 8.879 322 HB THR 36 HB THR 36 -12.364 -1.240 10.604 323 HG1 THR 36 1HG THR 36 -13.804 0.932 11.012 324 HG21 THR 36 3HG2 THR 36 -10.196 -0.764 10.991 325 HG22 THR 36 1HG2 THR 36 -10.835 0.403 12.148 326 HG23 THR 36 2HG2 THR 36 -10.382 0.926 10.526 327 H LEU 37 HN LEU 37 -10.451 1.763 8.429 328 HA LEU 37 HA LEU 37 -11.001 4.199 9.723 329 HB2 LEU 37 2HB LEU 37 -9.218 3.399 7.457 330 HB3 LEU 37 3HB LEU 37 -9.393 5.097 7.897 331 HG LEU 37 HG LEU 37 -8.501 2.975 9.840 332 HD11 LEU 37 1HD1 LEU 37 -7.062 4.139 7.638 333 HD12 LEU 37 2HD1 LEU 37 -6.551 2.901 8.785 334 HD13 LEU 37 3HD1 LEU 37 -6.336 4.607 9.176 335 HD21 LEU 37 3HD2 LEU 37 -8.416 5.988 9.856 336 HD22 LEU 37 1HD2 LEU 37 -7.607 4.960 11.039 337 HD23 LEU 37 2HD2 LEU 37 -9.366 4.940 10.910 338 H GLU 38 HN GLU 38 -12.727 5.423 9.357 339 HA GLU 38 HA GLU 38 -14.512 5.377 7.323 340 HB2 GLU 38 2HB GLU 38 -13.546 7.810 8.832 341 HB3 GLU 38 3HB GLU 38 -14.989 7.781 7.828 342 HG2 GLU 38 2HG GLU 38 -14.595 5.904 10.136 343 HG3 GLU 38 3HG GLU 38 -15.320 7.500 10.319 344 H ASP 39 HN ASP 39 -11.347 6.846 7.269 345 HA ASP 39 HA ASP 39 -11.687 7.352 4.398 346 HB2 ASP 39 2HB ASP 39 -10.077 9.401 4.946 347 HB3 ASP 39 3HB ASP 39 -11.831 9.554 5.011 348 HA PRO 40 HA PRO 40 -7.887 5.144 4.106 349 HB2 PRO 40 2HB PRO 40 -7.138 5.943 1.622 350 HB3 PRO 40 3HB PRO 40 -8.444 4.787 1.906 351 HG2 PRO 40 2HG PRO 40 -8.603 7.721 1.333 352 HG3 PRO 40 3HG PRO 40 -9.589 6.398 0.681 353 HD2 PRO 40 2HD PRO 40 -10.450 8.008 2.681 354 HD3 PRO 40 3HD PRO 40 -10.925 6.302 2.556 355 H ARG 41 HN ARG 41 -8.093 8.585 3.908 356 HA ARG 41 HA ARG 41 -5.194 8.918 3.942 357 HB2 ARG 41 2HB ARG 41 -7.491 10.864 3.768 358 HB3 ARG 41 3HB ARG 41 -5.826 11.387 3.987 359 HG2 ARG 41 2HG ARG 41 -5.345 9.981 1.879 360 HG3 ARG 41 3HG ARG 41 -7.090 10.063 1.625 361 HD2 ARG 41 2HD ARG 41 -5.270 12.441 1.984 362 HD3 ARG 41 3HD ARG 41 -5.861 11.842 0.434 363 HE ARG 41 HE ARG 41 -8.055 12.330 2.108 364 HH11 ARG 41 2HH1 ARG 41 -5.561 14.061 0.405 365 HH12 ARG 41 1HH1 ARG 41 -6.514 15.492 0.196 366 HH21 ARG 41 2HH2 ARG 41 -9.321 14.209 1.840 367 HH22 ARG 41 1HH2 ARG 41 -8.653 15.575 1.014 368 H SER 42 HN SER 42 -6.339 7.598 6.172 369 HA SER 42 HA SER 42 -6.234 9.605 8.308 370 HB2 SER 42 2HB SER 42 -8.111 7.842 8.118 371 HB3 SER 42 3HB SER 42 -6.903 6.694 8.695 372 HG SER 42 HG SER 42 -7.786 9.046 10.017 373 H LEU 43 HN LEU 43 -4.914 6.385 7.543 374 HA LEU 43 HA LEU 43 -2.708 6.898 9.406 375 HB2 LEU 43 2HB LEU 43 -3.800 4.400 8.149 376 HB3 LEU 43 3HB LEU 43 -2.223 4.430 8.935 377 HG LEU 43 HG LEU 43 -4.695 5.284 10.403 378 HD11 LEU 43 1HD1 LEU 43 -5.489 3.220 10.548 379 HD12 LEU 43 2HD1 LEU 43 -3.912 2.600 11.036 380 HD13 LEU 43 3HD1 LEU 43 -4.319 2.724 9.325 381 HD21 LEU 43 3HD2 LEU 43 -2.045 4.134 11.273 382 HD22 LEU 43 1HD2 LEU 43 -3.371 4.590 12.343 383 HD23 LEU 43 2HD2 LEU 43 -2.539 5.823 11.396 384 H GLY 44 HN GLY 44 -0.609 7.011 8.759 385 HA2 GLY 44 1HA GLY 44 1.153 6.510 7.188 386 HA3 GLY 44 2HA GLY 44 -0.041 6.570 5.900 387 H GLU 45 HN GLU 45 1.977 7.962 5.218 388 HA GLU 45 HA GLU 45 1.360 10.755 5.929 389 HB2 GLU 45 2HB GLU 45 3.491 10.643 6.742 390 HB3 GLU 45 3HB GLU 45 3.951 9.336 5.660 391 HG2 GLU 45 2HG GLU 45 4.586 10.746 3.993 392 HG3 GLU 45 3HG GLU 45 3.440 11.999 4.464 393 HA PRO 46 HA PRO 46 0.397 11.319 1.665 394 HB2 PRO 46 2HB PRO 46 0.588 14.025 1.569 395 HB3 PRO 46 3HB PRO 46 -0.763 13.184 2.337 396 HG2 PRO 46 2HG PRO 46 1.666 14.405 3.589 397 HG3 PRO 46 3HG PRO 46 -0.023 14.479 4.122 398 HD2 PRO 46 2HD PRO 46 1.781 12.792 5.230 399 HD3 PRO 46 3HD PRO 46 0.058 12.388 5.088 400 H LEU 47 HN LEU 47 1.341 11.975 -0.326 401 HA LEU 47 HA LEU 47 4.250 11.988 -0.253 402 HB2 LEU 47 2HB LEU 47 3.395 10.439 -1.786 403 HB3 LEU 47 3HB LEU 47 2.205 11.582 -2.407 404 HG LEU 47 HG LEU 47 4.306 12.884 -3.246 405 HD11 LEU 47 1HD1 LEU 47 6.196 11.500 -3.781 406 HD12 LEU 47 2HD1 LEU 47 5.411 10.085 -3.083 407 HD13 LEU 47 3HD1 LEU 47 5.903 11.421 -2.044 408 HD21 LEU 47 3HD2 LEU 47 2.658 10.798 -4.355 409 HD22 LEU 47 1HD2 LEU 47 4.261 10.791 -5.092 410 HD23 LEU 47 2HD2 LEU 47 3.285 12.260 -5.118 411 H ARG 48 HN ARG 48 5.534 13.527 -1.342 412 HA ARG 48 HA ARG 48 4.204 16.012 -2.147 413 HB2 ARG 48 2HB ARG 48 4.919 16.199 0.241 414 HB3 ARG 48 3HB ARG 48 6.578 15.936 -0.279 415 HG2 ARG 48 2HG ARG 48 6.773 18.014 -1.189 416 HG3 ARG 48 3HG ARG 48 5.053 18.129 -1.570 417 HD2 ARG 48 2HD ARG 48 4.521 18.512 0.752 418 HD3 ARG 48 3HD ARG 48 6.202 18.252 1.215 419 HE ARG 48 HE ARG 48 6.111 20.336 -0.649 420 HH11 ARG 48 2HH1 ARG 48 5.113 19.648 2.615 421 HH12 ARG 48 1HH1 ARG 48 5.225 21.297 3.135 422 HH21 ARG 48 2HH2 ARG 48 6.263 22.511 0.025 423 HH22 ARG 48 1HH2 ARG 48 5.879 22.924 1.661 424 H GLY 49 HN GLY 49 4.792 16.261 -4.203 425 HA2 GLY 49 1HA GLY 49 7.489 16.692 -4.943 426 HA3 GLY 49 2HA GLY 49 6.989 15.087 -5.454 427 HA PRO 50 HA PRO 50 5.421 18.665 -8.281 428 HB2 PRO 50 2HB PRO 50 7.520 18.979 -9.973 429 HB3 PRO 50 3HB PRO 50 7.316 19.944 -8.506 430 HG2 PRO 50 2HG PRO 50 9.041 17.541 -8.968 431 HG3 PRO 50 3HG PRO 50 9.424 19.045 -8.110 432 HD2 PRO 50 2HD PRO 50 8.744 16.764 -6.819 433 HD3 PRO 50 3HD PRO 50 8.339 18.374 -6.190 434 H GLU 51 HN GLU 51 7.700 16.092 -9.237 435 HA GLU 51 HA GLU 51 6.012 15.459 -11.536 436 HB2 GLU 51 2HB GLU 51 8.644 15.631 -11.474 437 HB3 GLU 51 3HB GLU 51 8.525 13.972 -10.905 438 HG2 GLU 51 2HG GLU 51 7.246 14.952 -13.441 439 HG3 GLU 51 3HG GLU 51 8.856 14.239 -13.367 440 H LEU 52 HN LEU 52 4.795 14.894 -9.130 441 HA LEU 52 HA LEU 52 4.476 12.016 -9.356 442 HB2 LEU 52 2HB LEU 52 5.522 13.407 -6.937 443 HB3 LEU 52 3HB LEU 52 4.452 12.023 -6.725 444 HG LEU 52 HG LEU 52 6.928 11.829 -8.410 445 HD11 LEU 52 1HD1 LEU 52 6.826 12.301 -5.586 446 HD12 LEU 52 2HD1 LEU 52 8.228 12.076 -6.632 447 HD13 LEU 52 3HD1 LEU 52 7.439 10.678 -5.903 448 HD21 LEU 52 3HD2 LEU 52 5.981 9.582 -6.779 449 HD22 LEU 52 1HD2 LEU 52 6.493 9.628 -8.466 450 HD23 LEU 52 2HD2 LEU 52 4.854 10.113 -8.029 451 H GLY 53 HN GLY 53 2.380 11.530 -9.343 452 HA2 GLY 53 1HA GLY 53 0.393 13.513 -8.959 453 HA3 GLY 53 2HA GLY 53 0.103 11.793 -9.175 454 H ARG 54 HN ARG 54 -1.639 12.154 -7.622 455 HA ARG 54 HA ARG 54 -0.874 12.706 -4.882 456 HB2 ARG 54 2HB ARG 54 -3.094 13.348 -6.126 457 HB3 ARG 54 3HB ARG 54 -3.588 11.723 -5.672 458 HG2 ARG 54 2HG ARG 54 -3.007 12.332 -3.298 459 HG3 ARG 54 3HG ARG 54 -2.840 13.997 -3.859 460 HD2 ARG 54 2HD ARG 54 -5.325 12.373 -4.330 461 HD3 ARG 54 3HD ARG 54 -5.087 13.335 -2.872 462 HE ARG 54 HE ARG 54 -5.809 14.297 -5.449 463 HH11 ARG 54 2HH1 ARG 54 -4.011 15.106 -2.580 464 HH12 ARG 54 1HH1 ARG 54 -4.171 16.817 -2.804 465 HH21 ARG 54 2HH2 ARG 54 -6.028 16.547 -5.755 466 HH22 ARG 54 1HH2 ARG 54 -5.319 17.635 -4.610 467 H PHE 55 HN PHE 55 0.456 10.990 -4.305 468 HA PHE 55 HA PHE 55 -0.897 8.380 -4.094 469 HB2 PHE 55 2HB PHE 55 2.077 8.841 -4.395 470 HB3 PHE 55 3HB PHE 55 1.256 7.284 -4.336 471 HD1 PHE 55 1HD PHE 55 -0.901 7.416 -6.137 472 HD2 PHE 55 2HD PHE 55 2.920 9.260 -6.479 473 HE1 PHE 55 1HE PHE 55 -1.139 7.449 -8.586 474 HE2 PHE 55 2HE PHE 55 2.688 9.296 -8.928 475 HZ PHE 55 HZ PHE 55 0.656 8.391 -9.985 476 H TRP 56 HN TRP 56 -1.190 7.656 -2.095 477 HA TRP 56 HA TRP 56 0.083 9.069 0.116 478 HB2 TRP 56 2HB TRP 56 -2.434 8.541 -0.041 479 HB3 TRP 56 3HB TRP 56 -1.980 6.892 0.379 480 HD1 TRP 56 1HD TRP 56 -1.063 6.464 2.867 481 HE1 TRP 56 1HE TRP 56 -1.314 7.825 5.037 482 HE3 TRP 56 3HE TRP 56 -2.581 10.916 0.863 483 HZ2 TRP 56 2HZ TRP 56 -2.057 10.439 5.799 484 HZ3 TRP 56 3HZ TRP 56 -3.042 12.797 2.381 485 HH2 TRP 56 2HH TRP 56 -2.785 12.561 4.798 486 H LYS 57 HN LYS 57 1.266 8.052 1.742 487 HA LYS 57 HA LYS 57 2.265 5.365 1.054 488 HB2 LYS 57 2HB LYS 57 3.666 7.823 2.011 489 HB3 LYS 57 3HB LYS 57 4.293 6.254 2.501 490 HG2 LYS 57 2HG LYS 57 5.499 6.546 0.606 491 HG3 LYS 57 3HG LYS 57 4.075 5.772 -0.094 492 HD2 LYS 57 2HD LYS 57 4.248 7.567 -1.493 493 HD3 LYS 57 3HD LYS 57 3.236 8.282 -0.236 494 HE2 LYS 57 2HE LYS 57 5.017 9.808 -0.799 495 HE3 LYS 57 3HE LYS 57 5.270 9.190 0.833 496 HZ1 LYS 57 3HZ LYS 57 7.243 9.281 -0.799 497 HZ2 LYS 57 1HZ LYS 57 6.570 7.877 -1.460 498 HZ3 LYS 57 2HZ LYS 57 7.043 7.904 0.163 499 H TYR 58 HN TYR 58 2.027 3.815 2.534 500 HA TYR 58 HA TYR 58 1.100 4.602 5.211 501 HB2 TYR 58 2HB TYR 58 0.732 2.032 3.664 502 HB3 TYR 58 3HB TYR 58 0.232 2.251 5.337 503 HD1 TYR 58 1HD TYR 58 -1.495 4.044 5.847 504 HD2 TYR 58 2HD TYR 58 -0.656 2.711 1.895 505 HE1 TYR 58 1HE TYR 58 -3.648 4.959 5.087 506 HE2 TYR 58 2HE TYR 58 -2.806 3.623 1.124 507 HH TYR 58 HH TYR 58 -5.265 4.241 2.850 508 H ARG 59 HN ARG 59 2.122 3.907 7.029 509 HA ARG 59 HA ARG 59 4.706 2.570 6.627 510 HB2 ARG 59 2HB ARG 59 5.252 4.483 7.757 511 HB3 ARG 59 3HB ARG 59 3.688 4.586 8.556 512 HG2 ARG 59 2HG ARG 59 5.640 2.444 9.296 513 HG3 ARG 59 3HG ARG 59 5.780 4.072 9.963 514 HD2 ARG 59 2HD ARG 59 3.186 3.664 10.419 515 HD3 ARG 59 3HD ARG 59 3.727 1.986 10.436 516 HE ARG 59 HE ARG 59 4.699 2.374 12.462 517 HH11 ARG 59 2HH1 ARG 59 4.159 5.428 10.880 518 HH12 ARG 59 1HH1 ARG 59 4.652 6.372 12.247 519 HH21 ARG 59 2HH2 ARG 59 5.350 3.606 14.269 520 HH22 ARG 59 1HH2 ARG 59 5.329 5.334 14.174 521 H VAL 60 HN VAL 60 5.202 0.681 7.620 522 HA VAL 60 HA VAL 60 3.377 -0.406 9.629 523 HB VAL 60 HB VAL 60 3.996 -1.714 6.991 524 HG11 VAL 60 1HG1 VAL 60 4.280 -3.646 8.076 525 HG12 VAL 60 2HG1 VAL 60 3.718 -2.967 9.605 526 HG13 VAL 60 3HG1 VAL 60 2.553 -3.567 8.424 527 HG21 VAL 60 3HG2 VAL 60 1.400 -2.202 7.511 528 HG22 VAL 60 1HG2 VAL 60 1.608 -0.680 8.378 529 HG23 VAL 60 2HG2 VAL 60 1.970 -0.770 6.654 530 H GLY 61 HN GLY 61 4.757 -0.651 11.281 531 HA2 GLY 61 1HA GLY 61 6.651 -1.222 12.464 532 HA3 GLY 61 2HA GLY 61 6.558 -2.693 11.508 533 H ASP 62 HN ASP 62 8.154 -3.125 10.113 534 HA ASP 62 HA ASP 62 10.108 -0.982 9.590 535 HB2 ASP 62 2HB ASP 62 10.785 -3.904 9.445 536 HB3 ASP 62 3HB ASP 62 11.858 -2.530 9.700 537 H TYR 63 HN TYR 63 7.814 -1.350 7.981 538 HA TYR 63 HA TYR 63 9.116 -1.943 5.437 539 HB2 TYR 63 2HB TYR 63 6.535 -3.215 6.357 540 HB3 TYR 63 3HB TYR 63 7.068 -3.197 4.680 541 HD1 TYR 63 1HD TYR 63 8.114 -4.296 8.080 542 HD2 TYR 63 2HD TYR 63 8.477 -4.878 3.881 543 HE1 TYR 63 1HE TYR 63 9.424 -6.338 8.482 544 HE2 TYR 63 2HE TYR 63 9.787 -6.922 4.271 545 HH TYR 63 HH TYR 63 10.396 -8.448 5.837 546 H ARG 64 HN ARG 64 8.429 -0.683 3.763 547 HA ARG 64 HA ARG 64 6.409 1.352 4.426 548 HB2 ARG 64 2HB ARG 64 8.932 1.415 2.836 549 HB3 ARG 64 3HB ARG 64 7.619 2.480 2.351 550 HG2 ARG 64 2HG ARG 64 8.550 2.416 5.191 551 HG3 ARG 64 3HG ARG 64 9.419 3.356 3.975 552 HD2 ARG 64 2HD ARG 64 7.324 4.533 3.430 553 HD3 ARG 64 3HD ARG 64 6.503 3.625 4.699 554 HE ARG 64 HE ARG 64 8.688 4.876 5.869 555 HH11 ARG 64 2HH1 ARG 64 5.728 5.778 4.274 556 HH12 ARG 64 1HH1 ARG 64 5.557 7.264 5.147 557 HH21 ARG 64 2HH2 ARG 64 8.474 6.831 7.025 558 HH22 ARG 64 1HH2 ARG 64 7.120 7.863 6.712 559 H LEU 65 HN LEU 65 4.671 1.659 3.133 560 HA LEU 65 HA LEU 65 4.510 0.076 0.657 561 HB2 LEU 65 2HB LEU 65 2.128 0.547 2.411 562 HB3 LEU 65 3HB LEU 65 2.344 -0.650 1.135 563 HG LEU 65 HG LEU 65 3.918 -0.772 3.691 564 HD11 LEU 65 1HD1 LEU 65 1.085 -1.513 3.196 565 HD12 LEU 65 2HD1 LEU 65 1.866 -0.932 4.666 566 HD13 LEU 65 3HD1 LEU 65 2.076 -2.608 4.160 567 HD21 LEU 65 3HD2 LEU 65 3.502 -2.461 1.314 568 HD22 LEU 65 1HD2 LEU 65 3.495 -3.305 2.863 569 HD23 LEU 65 2HD2 LEU 65 4.892 -2.336 2.394 570 H ILE 66 HN ILE 66 3.585 1.056 -1.081 571 HA ILE 66 HA ILE 66 2.579 3.798 -0.681 572 HB ILE 66 HB ILE 66 3.955 2.899 -3.197 573 HG12 ILE 66 2HG1 ILE 66 5.149 3.864 -0.624 574 HG13 ILE 66 3HG1 ILE 66 5.713 2.594 -1.704 575 HG21 ILE 66 1HG2 ILE 66 2.452 5.023 -2.889 576 HG22 ILE 66 2HG2 ILE 66 3.905 5.684 -2.140 577 HG23 ILE 66 3HG2 ILE 66 3.955 5.112 -3.808 578 HD11 ILE 66 3HD1 ILE 66 6.183 4.480 -3.364 579 HD12 ILE 66 1HD1 ILE 66 6.006 5.558 -1.979 580 HD13 ILE 66 2HD1 ILE 66 7.254 4.312 -1.973 581 H CYS 67 HN CYS 67 0.424 3.586 -0.864 582 HA CYS 67 HA CYS 67 -0.641 2.002 -3.099 583 HB2 CYS 67 2HB CYS 67 -2.190 3.069 -0.738 584 HB3 CYS 67 3HB CYS 67 -2.700 1.841 -1.890 585 HG CYS 67 HG CYS 67 -0.058 1.363 0.224 586 H HIS 68 HN HIS 68 -2.695 2.893 -4.069 587 HA HIS 68 HA HIS 68 -2.482 5.818 -4.363 588 HB2 HIS 68 2HB HIS 68 -1.729 4.470 -6.358 589 HB3 HIS 68 3HB HIS 68 -3.386 3.894 -6.510 590 HD2 HIS 68 2HD HIS 68 -3.221 7.609 -5.615 591 HE1 HIS 68 1HE HIS 68 -3.800 7.362 -9.810 592 HE2 HIS 68 2HE HIS 68 -3.697 8.890 -7.811 593 H ILE 69 HN ILE 69 -4.170 6.772 -3.448 594 HA ILE 69 HA ILE 69 -6.662 5.379 -3.046 595 HB ILE 69 HB ILE 69 -5.868 8.224 -2.417 596 HG12 ILE 69 2HG1 ILE 69 -6.346 5.981 -0.466 597 HG13 ILE 69 3HG1 ILE 69 -4.766 6.237 -1.200 598 HG21 ILE 69 1HG2 ILE 69 -8.436 6.779 -2.192 599 HG22 ILE 69 2HG2 ILE 69 -7.964 7.774 -0.816 600 HG23 ILE 69 3HG2 ILE 69 -8.115 8.499 -2.416 601 HD11 ILE 69 3HD1 ILE 69 -4.506 7.426 0.715 602 HD12 ILE 69 1HD1 ILE 69 -5.153 8.694 -0.325 603 HD13 ILE 69 2HD1 ILE 69 -6.212 7.860 0.812 604 H GLN 70 HN GLN 70 -8.267 5.314 -4.461 605 HA GLN 70 HA GLN 70 -8.391 7.374 -6.554 606 HB2 GLN 70 2HB GLN 70 -9.444 4.547 -6.470 607 HB3 GLN 70 3HB GLN 70 -9.846 5.689 -7.746 608 HG2 GLN 70 2HG GLN 70 -7.569 5.820 -8.445 609 HG3 GLN 70 3HG GLN 70 -7.035 4.878 -7.053 610 HE21 GLN 70 1HE2 GLN 70 -7.163 4.603 -10.157 611 HE22 GLN 70 2HE2 GLN 70 -7.656 2.961 -10.365 612 H ASP 71 HN ASP 71 -9.531 8.931 -5.385 613 HA ASP 71 HA ASP 71 -11.778 8.568 -3.817 614 HB2 ASP 71 2HB ASP 71 -11.274 10.916 -5.656 615 HB3 ASP 71 3HB ASP 71 -12.282 10.909 -4.211 616 H ARG 72 HN ARG 72 -11.593 9.070 -7.324 617 HA ARG 72 HA ARG 72 -14.131 9.384 -8.114 618 HB2 ARG 72 2HB ARG 72 -13.641 7.968 -10.092 619 HB3 ARG 72 3HB ARG 72 -12.350 9.103 -9.721 620 HG2 ARG 72 2HG ARG 72 -11.113 7.281 -8.607 621 HG3 ARG 72 3HG ARG 72 -12.386 6.160 -9.094 622 HD2 ARG 72 2HD ARG 72 -10.882 7.854 -11.070 623 HD3 ARG 72 3HD ARG 72 -10.315 6.263 -10.565 624 HE ARG 72 HE ARG 72 -13.036 6.340 -11.534 625 HH11 ARG 72 2HH1 ARG 72 -9.679 5.880 -12.331 626 HH12 ARG 72 1HH1 ARG 72 -10.010 4.973 -13.769 627 HH21 ARG 72 2HH2 ARG 72 -13.485 5.147 -13.425 628 HH22 ARG 72 1HH2 ARG 72 -12.175 4.557 -14.391 629 H GLU 73 HN GLU 73 -12.757 6.295 -7.043 630 HA GLU 73 HA GLU 73 -15.497 5.328 -6.600 631 HB2 GLU 73 2HB GLU 73 -13.235 3.901 -7.977 632 HB3 GLU 73 3HB GLU 73 -14.547 3.014 -7.214 633 HG2 GLU 73 2HG GLU 73 -16.160 4.058 -8.663 634 HG3 GLU 73 3HG GLU 73 -14.912 5.086 -9.365 635 H ALA 74 HN ALA 74 -13.278 6.465 -4.903 636 HA ALA 74 HA ALA 74 -12.126 6.007 -2.964 637 HB1 ALA 74 1HB ALA 74 -13.755 4.660 -1.370 638 HB2 ALA 74 2HB ALA 74 -14.075 6.333 -1.830 639 HB3 ALA 74 3HB ALA 74 -14.908 5.016 -2.657 640 H THR 75 HN THR 75 -11.131 4.326 -4.822 641 HA THR 75 HA THR 75 -10.942 1.741 -3.417 642 HB THR 75 HB THR 75 -10.670 2.302 -6.375 643 HG1 THR 75 1HG THR 75 -12.506 0.694 -4.896 644 HG21 THR 75 3HG2 THR 75 -10.314 -0.312 -4.905 645 HG22 THR 75 1HG2 THR 75 -9.011 0.644 -5.608 646 HG23 THR 75 2HG2 THR 75 -10.239 -0.075 -6.650 647 H VAL 76 HN VAL 76 -9.004 1.188 -2.657 648 HA VAL 76 HA VAL 76 -6.699 2.846 -3.395 649 HB VAL 76 HB VAL 76 -6.989 0.937 -1.071 650 HG11 VAL 76 1HG1 VAL 76 -4.916 1.626 -0.323 651 HG12 VAL 76 2HG1 VAL 76 -4.667 1.569 -2.069 652 HG13 VAL 76 3HG1 VAL 76 -4.953 3.115 -1.268 653 HG21 VAL 76 3HG2 VAL 76 -6.814 3.485 -0.050 654 HG22 VAL 76 1HG2 VAL 76 -7.856 3.692 -1.458 655 HG23 VAL 76 2HG2 VAL 76 -8.292 2.534 -0.201 656 H LEU 77 HN LEU 77 -5.021 2.051 -4.500 657 HA LEU 77 HA LEU 77 -4.812 -0.869 -4.815 658 HB2 LEU 77 2HB LEU 77 -5.740 0.079 -6.842 659 HB3 LEU 77 3HB LEU 77 -4.423 1.247 -6.926 660 HG LEU 77 HG LEU 77 -2.972 -0.981 -7.019 661 HD11 LEU 77 1HD1 LEU 77 -4.495 -2.691 -6.932 662 HD12 LEU 77 2HD1 LEU 77 -4.359 -2.464 -8.676 663 HD13 LEU 77 3HD1 LEU 77 -5.732 -1.784 -7.803 664 HD21 LEU 77 3HD2 LEU 77 -4.451 0.191 -9.373 665 HD22 LEU 77 1HD2 LEU 77 -2.966 -0.757 -9.448 666 HD23 LEU 77 2HD2 LEU 77 -2.964 0.824 -8.667 667 H VAL 78 HN VAL 78 -2.906 -1.667 -4.237 668 HA VAL 78 HA VAL 78 -0.792 -0.007 -3.335 669 HB VAL 78 HB VAL 78 -0.729 -2.968 -3.934 670 HG11 VAL 78 1HG1 VAL 78 0.995 -1.787 -1.852 671 HG12 VAL 78 2HG1 VAL 78 1.325 -3.086 -3.001 672 HG13 VAL 78 3HG1 VAL 78 1.419 -1.403 -3.520 673 HG21 VAL 78 3HG2 VAL 78 -2.364 -2.834 -2.323 674 HG22 VAL 78 1HG2 VAL 78 -0.920 -2.953 -1.318 675 HG23 VAL 78 2HG2 VAL 78 -1.677 -1.384 -1.591 676 H LEU 79 HN LEU 79 0.978 0.736 -4.339 677 HA LEU 79 HA LEU 79 1.319 0.053 -7.172 678 HB2 LEU 79 2HB LEU 79 1.888 2.446 -5.515 679 HB3 LEU 79 3HB LEU 79 2.967 2.124 -6.871 680 HG LEU 79 HG LEU 79 -0.023 2.398 -7.139 681 HD11 LEU 79 1HD1 LEU 79 1.872 4.420 -6.593 682 HD12 LEU 79 2HD1 LEU 79 0.174 4.601 -7.033 683 HD13 LEU 79 3HD1 LEU 79 1.413 4.571 -8.289 684 HD21 LEU 79 3HD2 LEU 79 1.986 2.789 -9.313 685 HD22 LEU 79 1HD2 LEU 79 0.291 2.312 -9.419 686 HD23 LEU 79 2HD2 LEU 79 1.498 1.155 -8.857 687 H ARG 80 HN ARG 80 3.363 0.788 -4.339 688 HA ARG 80 HA ARG 80 5.251 -1.257 -5.295 689 HB2 ARG 80 2HB ARG 80 5.873 1.307 -5.532 690 HB3 ARG 80 3HB ARG 80 6.280 1.130 -3.830 691 HG2 ARG 80 2HG ARG 80 8.294 0.696 -4.840 692 HG3 ARG 80 3HG ARG 80 7.639 -0.931 -4.647 693 HD2 ARG 80 2HD ARG 80 8.346 -0.978 -6.838 694 HD3 ARG 80 3HD ARG 80 6.656 -0.511 -7.025 695 HE ARG 80 HE ARG 80 7.344 1.517 -7.829 696 HH11 ARG 80 2HH1 ARG 80 10.018 -0.044 -6.239 697 HH12 ARG 80 1HH1 ARG 80 11.181 1.132 -6.755 698 HH21 ARG 80 2HH2 ARG 80 8.865 3.072 -8.515 699 HH22 ARG 80 1HH2 ARG 80 10.524 2.905 -8.049 700 H VAL 81 HN VAL 81 6.452 -2.343 -3.672 701 HA VAL 81 HA VAL 81 5.657 -1.888 -0.895 702 HB VAL 81 HB VAL 81 4.071 -3.560 -1.745 703 HG11 VAL 81 1HG1 VAL 81 5.906 -5.772 -1.992 704 HG12 VAL 81 2HG1 VAL 81 4.656 -5.218 -3.108 705 HG13 VAL 81 3HG1 VAL 81 6.271 -4.511 -3.169 706 HG21 VAL 81 3HG2 VAL 81 5.156 -5.488 -0.134 707 HG22 VAL 81 1HG2 VAL 81 5.977 -4.028 0.420 708 HG23 VAL 81 2HG2 VAL 81 4.215 -4.105 0.424 709 H GLY 82 HN GLY 82 7.501 -1.679 0.183 710 HA2 GLY 82 1HA GLY 82 9.535 -3.732 -0.017 711 HA3 GLY 82 2HA GLY 82 10.044 -2.146 -0.577 712 H HIS 83 HN HIS 83 11.151 -3.602 1.623 713 HA HIS 83 HA HIS 83 10.266 -2.955 4.139 714 HB2 HIS 83 2HB HIS 83 12.311 -4.339 3.458 715 HB3 HIS 83 3HB HIS 83 13.183 -2.810 3.394 716 HD2 HIS 83 2HD HIS 83 11.656 -5.240 6.035 717 HE1 HIS 83 1HE HIS 83 13.872 -2.250 8.072 718 HE2 HIS 83 2HE HIS 83 12.687 -4.463 8.277 719 H ALA 84 HN ALA 84 10.904 -1.296 5.652 720 HA ALA 84 HA ALA 84 10.360 1.271 4.899 721 HB1 ALA 84 1HB ALA 84 12.351 0.918 7.078 722 HB2 ALA 84 2HB ALA 84 10.886 1.900 7.030 723 HB3 ALA 84 3HB ALA 84 10.771 0.155 7.256 724 H ARG 85 HN ARG 85 13.414 -0.408 4.677 725 HA ARG 85 HA ARG 85 14.877 2.010 4.017 726 HB2 ARG 85 2HB ARG 85 16.819 0.536 3.821 727 HB3 ARG 85 3HB ARG 85 15.975 0.265 5.340 728 HG2 ARG 85 2HG ARG 85 15.248 -1.819 4.727 729 HG3 ARG 85 3HG ARG 85 15.306 -1.450 3.002 730 HD2 ARG 85 2HD ARG 85 17.835 -1.331 3.280 731 HD3 ARG 85 3HD ARG 85 17.586 -2.079 4.857 732 HE ARG 85 HE ARG 85 17.379 -3.346 2.279 733 HH11 ARG 85 2HH1 ARG 85 16.460 -3.477 5.635 734 HH12 ARG 85 1HH1 ARG 85 16.176 -5.186 5.625 735 HH21 ARG 85 2HH2 ARG 85 17.007 -5.597 2.253 736 HH22 ARG 85 1HH2 ARG 85 16.488 -6.391 3.701 737 H ASP 86 HN ASP 86 13.303 -0.627 2.404 738 HA ASP 86 HA ASP 86 14.601 -0.379 -0.109 739 HB2 ASP 86 2HB ASP 86 12.113 -1.703 0.882 740 HB3 ASP 86 3HB ASP 86 12.316 -1.489 -0.855 741 H VAL 87 HN VAL 87 12.158 1.442 1.475 742 HA VAL 87 HA VAL 87 11.398 2.761 -1.040 743 HB VAL 87 HB VAL 87 10.077 2.814 1.676 744 HG11 VAL 87 1HG1 VAL 87 9.071 4.707 1.102 745 HG12 VAL 87 2HG1 VAL 87 9.982 4.746 -0.409 746 HG13 VAL 87 3HG1 VAL 87 8.422 3.925 -0.340 747 HG21 VAL 87 3HG2 VAL 87 8.210 1.941 -0.077 748 HG22 VAL 87 1HG2 VAL 87 9.676 1.278 -0.801 749 HG23 VAL 87 2HG2 VAL 87 9.256 0.878 0.865 750 H TYR 88 HN TYR 88 11.891 4.846 -1.428 751 HA TYR 88 HA TYR 88 13.925 6.117 0.040 752 HB2 TYR 88 2HB TYR 88 13.894 7.728 -1.598 753 HB3 TYR 88 3HB TYR 88 13.062 6.429 -2.446 754 HD1 TYR 88 2HD TYR 88 12.251 9.293 -0.180 755 HD2 TYR 88 1HD TYR 88 11.116 6.968 -3.558 756 HE1 TYR 88 2HE TYR 88 10.323 10.776 -0.546 757 HE2 TYR 88 1HE TYR 88 9.186 8.444 -3.934 758 HH TYR 88 HH TYR 88 8.178 10.775 -1.624 759 H ARG 89 HN ARG 89 13.892 7.461 1.729 760 HA ARG 89 HA ARG 89 11.853 7.742 3.487 761 HB2 ARG 89 2HB ARG 89 12.987 9.688 4.400 762 HB3 ARG 89 3HB ARG 89 14.166 8.478 3.915 763 HG2 ARG 89 2HG ARG 89 14.986 9.753 2.212 764 HG3 ARG 89 3HG ARG 89 13.458 10.602 1.966 765 HD2 ARG 89 2HD ARG 89 13.889 11.658 4.255 766 HD3 ARG 89 3HD ARG 89 15.537 11.054 4.086 767 HE ARG 89 HE ARG 89 14.618 12.592 1.834 768 HH11 ARG 89 2HH1 ARG 89 16.127 12.708 4.969 769 HH12 ARG 89 1HH1 ARG 89 16.922 14.219 4.675 770 HH21 ARG 89 2HH2 ARG 89 15.660 14.582 1.435 771 HH22 ARG 89 1HH2 ARG 89 16.655 15.285 2.664 Start of MODEL 20 1 H1 MET 1 HN MET 1 -19.064 5.630 2.703 2 HA MET 1 HA MET 1 -16.539 5.402 4.094 3 HB2 MET 1 2HB MET 1 -17.769 4.117 5.738 4 HB3 MET 1 3HB MET 1 -18.682 5.562 5.324 5 HG2 MET 1 2HG MET 1 -20.309 4.381 4.209 6 HG3 MET 1 3HG MET 1 -19.249 3.009 3.897 7 HE1 MET 1 3HE MET 1 -20.436 0.548 6.302 8 HE2 MET 1 1HE MET 1 -21.150 1.131 4.798 9 HE3 MET 1 2HE MET 1 -19.399 0.977 4.940 10 H GLY 2 HN GLY 2 -15.391 3.465 4.441 11 HA2 GLY 2 1HA GLY 2 -14.611 1.347 3.956 12 HA3 GLY 2 2HA GLY 2 -16.140 1.019 3.153 13 H TYR 3 HN TYR 3 -12.950 1.095 2.633 14 HA TYR 3 HA TYR 3 -13.252 1.955 -0.170 15 HB2 TYR 3 2HB TYR 3 -10.918 2.178 1.716 16 HB3 TYR 3 3HB TYR 3 -10.689 2.227 -0.029 17 HD1 TYR 3 2HD TYR 3 -12.945 3.802 2.511 18 HD2 TYR 3 1HD TYR 3 -10.543 4.323 -0.962 19 HE1 TYR 3 2HE TYR 3 -13.470 6.204 2.516 20 HE2 TYR 3 1HE TYR 3 -11.061 6.728 -0.966 21 HH TYR 3 HH TYR 3 -12.072 8.396 0.096 22 H ARG 4 HN ARG 4 -12.118 0.747 -1.771 23 HA ARG 4 HA ARG 4 -12.063 -2.081 -1.190 24 HB2 ARG 4 2HB ARG 4 -13.050 -1.243 -3.282 25 HB3 ARG 4 3HB ARG 4 -11.485 -0.599 -3.761 26 HG2 ARG 4 2HG ARG 4 -10.644 -2.646 -4.290 27 HG3 ARG 4 3HG ARG 4 -11.652 -3.488 -3.111 28 HD2 ARG 4 2HD ARG 4 -12.961 -2.156 -5.432 29 HD3 ARG 4 3HD ARG 4 -12.115 -3.680 -5.698 30 HE ARG 4 HE ARG 4 -14.650 -3.362 -4.508 31 HH11 ARG 4 2HH1 ARG 4 -11.700 -5.177 -4.159 32 HH12 ARG 4 1HH1 ARG 4 -12.473 -6.541 -3.420 33 HH21 ARG 4 2HH2 ARG 4 -15.680 -5.151 -3.536 34 HH22 ARG 4 1HH2 ARG 4 -14.737 -6.525 -3.067 35 H ILE 5 HN ILE 5 -10.280 -3.468 -1.533 36 HA ILE 5 HA ILE 5 -7.679 -2.124 -1.225 37 HB ILE 5 HB ILE 5 -8.357 -4.955 -0.433 38 HG12 ILE 5 2HG1 ILE 5 -9.690 -3.528 0.954 39 HG13 ILE 5 3HG1 ILE 5 -8.301 -4.031 1.911 40 HG21 ILE 5 1HG2 ILE 5 -6.257 -5.093 0.510 41 HG22 ILE 5 2HG2 ILE 5 -5.939 -4.126 -0.930 42 HG23 ILE 5 3HG2 ILE 5 -6.086 -3.343 0.643 43 HD11 ILE 5 3HD1 ILE 5 -7.221 -1.865 1.366 44 HD12 ILE 5 1HD1 ILE 5 -8.718 -1.371 0.574 45 HD13 ILE 5 2HD1 ILE 5 -8.707 -1.715 2.304 46 H GLU 6 HN GLU 6 -6.867 -1.967 -3.248 47 HA GLU 6 HA GLU 6 -6.805 -4.409 -4.890 48 HB2 GLU 6 2HB GLU 6 -6.832 -1.493 -5.595 49 HB3 GLU 6 3HB GLU 6 -6.173 -2.669 -6.724 50 HG2 GLU 6 2HG GLU 6 -8.464 -3.883 -6.273 51 HG3 GLU 6 3HG GLU 6 -8.974 -2.255 -5.832 52 H PHE 7 HN PHE 7 -4.862 -4.918 -6.029 53 HA PHE 7 HA PHE 7 -2.429 -3.614 -5.039 54 HB2 PHE 7 2HB PHE 7 -3.146 -6.518 -4.812 55 HB3 PHE 7 3HB PHE 7 -1.459 -6.036 -4.961 56 HD1 PHE 7 1HD PHE 7 -4.463 -5.846 -2.855 57 HD2 PHE 7 2HD PHE 7 -0.304 -4.991 -3.157 58 HE1 PHE 7 1HE PHE 7 -4.381 -5.405 -0.436 59 HE2 PHE 7 2HE PHE 7 -0.216 -4.549 -0.738 60 HZ PHE 7 HZ PHE 7 -2.256 -4.757 0.626 61 H ASP 8 HN ASP 8 -1.351 -2.924 -6.753 62 HA ASP 8 HA ASP 8 -1.819 -3.493 -9.389 63 HB2 ASP 8 2HB ASP 8 0.695 -2.853 -9.681 64 HB3 ASP 8 3HB ASP 8 -0.434 -1.658 -9.048 65 HA PRO 9 HA PRO 9 -0.235 -7.465 -10.357 66 HB2 PRO 9 2HB PRO 9 0.834 -7.069 -12.821 67 HB3 PRO 9 3HB PRO 9 -0.908 -7.094 -12.523 68 HG2 PRO 9 2HG PRO 9 0.927 -4.749 -12.830 69 HG3 PRO 9 3HG PRO 9 -0.695 -4.996 -13.502 70 HD2 PRO 9 2HD PRO 9 -0.244 -3.478 -11.305 71 HD3 PRO 9 3HD PRO 9 -1.738 -4.410 -11.531 72 H ARG 10 HN ARG 10 1.852 -4.814 -9.970 73 HA ARG 10 HA ARG 10 4.270 -6.418 -10.326 74 HB2 ARG 10 2HB ARG 10 3.757 -3.480 -9.952 75 HB3 ARG 10 3HB ARG 10 5.365 -4.153 -9.724 76 HG2 ARG 10 2HG ARG 10 5.064 -5.149 -12.070 77 HG3 ARG 10 3HG ARG 10 3.732 -4.001 -12.226 78 HD2 ARG 10 2HD ARG 10 5.547 -2.301 -11.356 79 HD3 ARG 10 3HD ARG 10 6.660 -3.505 -12.003 80 HE ARG 10 HE ARG 10 4.797 -3.032 -13.984 81 HH11 ARG 10 2HH1 ARG 10 7.167 -1.192 -12.218 82 HH12 ARG 10 1HH1 ARG 10 7.461 -0.081 -13.514 83 HH21 ARG 10 2HH2 ARG 10 5.175 -1.574 -15.698 84 HH22 ARG 10 1HH2 ARG 10 6.327 -0.298 -15.492 85 H ALA 11 HN ALA 11 2.659 -4.450 -7.843 86 HA ALA 11 HA ALA 11 4.472 -4.981 -5.764 87 HB1 ALA 11 1HB ALA 11 2.811 -3.163 -5.719 88 HB2 ALA 11 2HB ALA 11 1.531 -4.361 -5.524 89 HB3 ALA 11 3HB ALA 11 2.755 -4.165 -4.269 90 H GLU 12 HN GLU 12 1.467 -6.610 -6.717 91 HA GLU 12 HA GLU 12 1.060 -8.377 -4.706 92 HB2 GLU 12 2HB GLU 12 0.783 -8.646 -7.672 93 HB3 GLU 12 3HB GLU 12 0.500 -10.052 -6.656 94 HG2 GLU 12 2HG GLU 12 -1.236 -8.875 -5.453 95 HG3 GLU 12 3HG GLU 12 -0.918 -7.412 -6.383 96 H LYS 13 HN LYS 13 3.379 -8.815 -7.363 97 HA LYS 13 HA LYS 13 4.380 -11.294 -6.376 98 HB2 LYS 13 2HB LYS 13 5.629 -9.347 -8.324 99 HB3 LYS 13 3HB LYS 13 6.148 -11.007 -8.061 100 HG2 LYS 13 2HG LYS 13 3.361 -10.342 -8.947 101 HG3 LYS 13 3HG LYS 13 4.690 -10.536 -10.092 102 HD2 LYS 13 2HD LYS 13 4.962 -12.793 -9.580 103 HD3 LYS 13 3HD LYS 13 4.114 -12.643 -8.039 104 HE2 LYS 13 2HE LYS 13 2.603 -13.756 -9.440 105 HE3 LYS 13 3HE LYS 13 2.048 -12.083 -9.428 106 HZ1 LYS 13 3HZ LYS 13 2.006 -12.830 -11.659 107 HZ2 LYS 13 1HZ LYS 13 3.574 -13.458 -11.566 108 HZ3 LYS 13 2HZ LYS 13 3.330 -11.785 -11.532 109 H GLU 14 HN GLU 14 5.529 -7.942 -6.228 110 HA GLU 14 HA GLU 14 7.960 -8.444 -4.926 111 HB2 GLU 14 2HB GLU 14 6.160 -6.022 -4.925 112 HB3 GLU 14 3HB GLU 14 7.736 -6.043 -4.147 113 HG2 GLU 14 2HG GLU 14 7.348 -6.693 -7.052 114 HG3 GLU 14 3HG GLU 14 7.637 -5.057 -6.464 115 H LEU 15 HN LEU 15 4.705 -8.387 -3.756 116 HA LEU 15 HA LEU 15 5.512 -8.203 -0.971 117 HB2 LEU 15 2HB LEU 15 3.460 -7.099 -1.756 118 HB3 LEU 15 3HB LEU 15 2.795 -8.672 -2.192 119 HG LEU 15 HG LEU 15 3.239 -9.151 0.382 120 HD11 LEU 15 1HD1 LEU 15 3.434 -7.383 1.743 121 HD12 LEU 15 2HD1 LEU 15 2.330 -6.396 0.786 122 HD13 LEU 15 3HD1 LEU 15 4.020 -6.547 0.305 123 HD21 LEU 15 3HD2 LEU 15 1.078 -9.050 -1.058 124 HD22 LEU 15 1HD2 LEU 15 0.852 -7.481 -0.285 125 HD23 LEU 15 2HD2 LEU 15 0.961 -8.941 0.699 126 H GLU 16 HN GLU 16 4.530 -10.611 -3.301 127 HA GLU 16 HA GLU 16 3.989 -12.698 -1.458 128 HB2 GLU 16 2HB GLU 16 4.648 -12.651 -4.394 129 HB3 GLU 16 3HB GLU 16 4.424 -14.163 -3.525 130 HG2 GLU 16 2HG GLU 16 2.327 -12.052 -3.362 131 HG3 GLU 16 3HG GLU 16 2.440 -13.064 -4.801 132 H LYS 17 HN LYS 17 6.897 -11.494 -2.968 133 HA LYS 17 HA LYS 17 8.541 -13.737 -2.343 134 HB2 LYS 17 2HB LYS 17 10.343 -12.463 -3.149 135 HB3 LYS 17 3HB LYS 17 8.965 -11.922 -4.099 136 HG2 LYS 17 2HG LYS 17 9.862 -9.907 -3.579 137 HG3 LYS 17 3HG LYS 17 8.813 -10.113 -2.174 138 HD2 LYS 17 2HD LYS 17 10.863 -9.461 -1.259 139 HD3 LYS 17 3HD LYS 17 10.850 -11.215 -1.064 140 HE2 LYS 17 2HE LYS 17 12.051 -11.191 -3.381 141 HE3 LYS 17 3HE LYS 17 12.427 -9.522 -2.957 142 HZ1 LYS 17 3HZ LYS 17 13.764 -10.164 -1.235 143 HZ2 LYS 17 1HZ LYS 17 14.028 -11.452 -2.300 144 HZ3 LYS 17 2HZ LYS 17 12.968 -11.637 -0.995 145 H LEU 18 HN LEU 18 7.385 -11.036 -0.556 146 HA LEU 18 HA LEU 18 9.442 -10.905 1.396 147 HB2 LEU 18 2HB LEU 18 6.568 -10.019 1.395 148 HB3 LEU 18 3HB LEU 18 7.648 -9.754 2.762 149 HG LEU 18 HG LEU 18 8.063 -8.655 -0.017 150 HD11 LEU 18 1HD1 LEU 18 7.564 -6.475 1.125 151 HD12 LEU 18 2HD1 LEU 18 6.961 -7.412 2.492 152 HD13 LEU 18 3HD1 LEU 18 6.182 -7.551 0.916 153 HD21 LEU 18 3HD2 LEU 18 10.132 -8.189 0.631 154 HD22 LEU 18 1HD2 LEU 18 9.839 -9.001 2.169 155 HD23 LEU 18 2HD2 LEU 18 9.502 -7.278 2.005 156 H ASP 19 HN ASP 19 8.977 -11.355 3.757 157 HA ASP 19 HA ASP 19 8.601 -14.105 4.140 158 HB2 ASP 19 2HB ASP 19 9.774 -12.283 5.629 159 HB3 ASP 19 3HB ASP 19 8.190 -12.175 6.393 160 H ARG 20 HN ARG 20 6.883 -15.338 4.672 161 HA ARG 20 HA ARG 20 4.326 -14.729 4.004 162 HB2 ARG 20 2HB ARG 20 5.461 -16.946 4.925 163 HB3 ARG 20 3HB ARG 20 4.678 -16.444 6.418 164 HG2 ARG 20 2HG ARG 20 3.031 -17.742 5.552 165 HG3 ARG 20 3HG ARG 20 2.589 -16.199 4.820 166 HD2 ARG 20 2HD ARG 20 3.580 -16.796 2.751 167 HD3 ARG 20 3HD ARG 20 4.379 -18.197 3.461 168 HE ARG 20 HE ARG 20 1.590 -18.452 3.752 169 HH11 ARG 20 2HH1 ARG 20 4.078 -18.561 1.319 170 HH12 ARG 20 1HH1 ARG 20 3.206 -19.649 0.291 171 HH21 ARG 20 2HH2 ARG 20 0.432 -19.884 2.406 172 HH22 ARG 20 1HH2 ARG 20 1.132 -20.400 0.909 173 H GLU 21 HN GLU 21 5.513 -14.666 7.372 174 HA GLU 21 HA GLU 21 3.268 -13.584 8.561 175 HB2 GLU 21 2HB GLU 21 6.184 -13.235 9.262 176 HB3 GLU 21 3HB GLU 21 4.870 -12.682 10.291 177 HG2 GLU 21 2HG GLU 21 4.079 -14.927 10.586 178 HG3 GLU 21 3HG GLU 21 5.252 -15.535 9.418 179 H VAL 22 HN VAL 22 5.870 -11.960 6.842 180 HA VAL 22 HA VAL 22 5.095 -9.312 7.539 181 HB VAL 22 HB VAL 22 6.718 -10.263 5.175 182 HG11 VAL 22 1HG1 VAL 22 6.925 -8.145 4.525 183 HG12 VAL 22 2HG1 VAL 22 5.634 -7.744 5.659 184 HG13 VAL 22 3HG1 VAL 22 7.320 -7.618 6.161 185 HG21 VAL 22 3HG2 VAL 22 7.860 -9.036 7.649 186 HG22 VAL 22 1HG2 VAL 22 7.468 -10.755 7.619 187 HG23 VAL 22 2HG2 VAL 22 8.628 -10.095 6.465 188 H ALA 23 HN ALA 23 4.367 -11.451 4.828 189 HA ALA 23 HA ALA 23 2.991 -9.534 3.262 190 HB1 ALA 23 1HB ALA 23 3.594 -12.342 3.117 191 HB2 ALA 23 2HB ALA 23 1.918 -12.044 2.653 192 HB3 ALA 23 3HB ALA 23 3.226 -11.205 1.819 193 H ARG 24 HN ARG 24 1.840 -12.048 5.504 194 HA ARG 24 HA ARG 24 -0.901 -11.490 5.227 195 HB2 ARG 24 2HB ARG 24 -1.238 -12.873 7.122 196 HB3 ARG 24 3HB ARG 24 0.155 -13.540 6.279 197 HG2 ARG 24 2HG ARG 24 1.646 -12.436 7.873 198 HG3 ARG 24 3HG ARG 24 0.245 -11.779 8.720 199 HD2 ARG 24 2HD ARG 24 0.349 -14.713 8.279 200 HD3 ARG 24 3HD ARG 24 1.438 -14.025 9.483 201 HE ARG 24 HE ARG 24 -0.903 -12.947 10.193 202 HH11 ARG 24 2HH1 ARG 24 -0.020 -16.219 9.399 203 HH12 ARG 24 1HH1 ARG 24 -1.211 -16.931 10.437 204 HH21 ARG 24 2HH2 ARG 24 -2.475 -13.871 11.563 205 HH22 ARG 24 1HH2 ARG 24 -2.608 -15.594 11.666 206 H ARG 25 HN ARG 25 1.462 -10.384 7.644 207 HA ARG 25 HA ARG 25 -0.209 -8.886 9.256 208 HB2 ARG 25 2HB ARG 25 2.038 -9.215 9.952 209 HB3 ARG 25 3HB ARG 25 2.676 -8.485 8.484 210 HG2 ARG 25 2HG ARG 25 2.194 -6.330 9.192 211 HG3 ARG 25 3HG ARG 25 1.010 -6.882 10.379 212 HD2 ARG 25 2HD ARG 25 3.870 -7.696 10.655 213 HD3 ARG 25 3HD ARG 25 3.377 -6.075 11.144 214 HE ARG 25 HE ARG 25 2.949 -8.457 12.587 215 HH11 ARG 25 2HH1 ARG 25 1.346 -5.493 11.712 216 HH12 ARG 25 1HH1 ARG 25 0.341 -5.468 13.124 217 HH21 ARG 25 2HH2 ARG 25 1.632 -8.435 14.449 218 HH22 ARG 25 1HH2 ARG 25 0.505 -7.141 14.680 219 H ILE 26 HN ILE 26 1.556 -7.814 6.358 220 HA ILE 26 HA ILE 26 0.714 -5.157 6.354 221 HB ILE 26 HB ILE 26 1.422 -6.961 4.043 222 HG12 ILE 26 2HG1 ILE 26 3.017 -4.715 5.278 223 HG13 ILE 26 3HG1 ILE 26 3.156 -6.387 5.812 224 HG21 ILE 26 1HG2 ILE 26 0.159 -4.415 3.978 225 HG22 ILE 26 2HG2 ILE 26 1.811 -4.234 3.391 226 HG23 ILE 26 3HG2 ILE 26 0.728 -5.399 2.630 227 HD11 ILE 26 3HD1 ILE 26 3.556 -5.636 2.944 228 HD12 ILE 26 1HD1 ILE 26 4.858 -5.503 4.125 229 HD13 ILE 26 2HD1 ILE 26 4.112 -7.070 3.806 230 H LEU 27 HN LEU 27 -0.582 -7.747 4.266 231 HA LEU 27 HA LEU 27 -2.734 -6.476 3.199 232 HB2 LEU 27 2HB LEU 27 -2.618 -9.321 4.189 233 HB3 LEU 27 3HB LEU 27 -3.856 -8.685 3.107 234 HG LEU 27 HG LEU 27 -0.917 -8.772 2.438 235 HD11 LEU 27 1HD1 LEU 27 -3.070 -10.649 1.487 236 HD12 LEU 27 2HD1 LEU 27 -1.931 -11.030 2.778 237 HD13 LEU 27 3HD1 LEU 27 -1.342 -10.727 1.144 238 HD21 LEU 27 3HD2 LEU 27 -2.254 -8.721 0.098 239 HD22 LEU 27 1HD2 LEU 27 -1.665 -7.279 0.925 240 HD23 LEU 27 2HD2 LEU 27 -3.348 -7.774 1.107 241 H ARG 28 HN ARG 28 -2.686 -8.170 6.327 242 HA ARG 28 HA ARG 28 -5.346 -7.722 7.039 243 HB2 ARG 28 2HB ARG 28 -2.839 -8.192 8.620 244 HB3 ARG 28 3HB ARG 28 -4.354 -7.846 9.443 245 HG2 ARG 28 2HG ARG 28 -5.346 -9.816 8.715 246 HG3 ARG 28 3HG ARG 28 -4.183 -10.028 7.404 247 HD2 ARG 28 2HD ARG 28 -3.381 -11.570 8.885 248 HD3 ARG 28 3HD ARG 28 -2.473 -10.152 9.408 249 HE ARG 28 HE ARG 28 -3.514 -10.355 11.417 250 HH11 ARG 28 2HH1 ARG 28 -5.580 -11.736 8.980 251 HH12 ARG 28 1HH1 ARG 28 -6.800 -12.229 10.107 252 HH21 ARG 28 2HH2 ARG 28 -5.113 -10.999 12.912 253 HH22 ARG 28 1HH2 ARG 28 -6.534 -11.808 12.343 254 H PHE 29 HN PHE 29 -2.466 -5.736 7.578 255 HA PHE 29 HA PHE 29 -3.604 -3.775 9.199 256 HB2 PHE 29 2HB PHE 29 -1.251 -3.757 8.990 257 HB3 PHE 29 3HB PHE 29 -1.325 -3.706 7.232 258 HD1 PHE 29 1HD PHE 29 -1.994 -1.728 10.290 259 HD2 PHE 29 2HD PHE 29 -1.325 -1.666 6.087 260 HE1 PHE 29 1HE PHE 29 -1.804 0.724 10.359 261 HE2 PHE 29 2HE PHE 29 -1.132 0.786 6.150 262 HZ PHE 29 HZ PHE 29 -1.371 1.984 8.288 263 H LEU 30 HN LEU 30 -3.587 -4.124 5.695 264 HA LEU 30 HA LEU 30 -4.968 -1.596 5.324 265 HB2 LEU 30 2HB LEU 30 -3.981 -3.722 3.445 266 HB3 LEU 30 3HB LEU 30 -4.976 -2.374 2.898 267 HG LEU 30 HG LEU 30 -2.448 -1.814 4.387 268 HD11 LEU 30 1HD1 LEU 30 -2.683 -2.919 1.633 269 HD12 LEU 30 2HD1 LEU 30 -1.438 -3.181 2.854 270 HD13 LEU 30 3HD1 LEU 30 -1.482 -1.667 1.950 271 HD21 LEU 30 3HD2 LEU 30 -3.289 0.217 3.958 272 HD22 LEU 30 1HD2 LEU 30 -4.381 -0.390 2.714 273 HD23 LEU 30 2HD2 LEU 30 -2.696 -0.052 2.318 274 H ARG 31 HN ARG 31 -5.719 -4.931 5.690 275 HA ARG 31 HA ARG 31 -8.377 -4.646 4.532 276 HB2 ARG 31 2HB ARG 31 -6.700 -6.918 5.472 277 HB3 ARG 31 3HB ARG 31 -8.446 -7.116 5.536 278 HG2 ARG 31 2HG ARG 31 -8.641 -6.758 3.181 279 HG3 ARG 31 3HG ARG 31 -6.938 -6.314 3.060 280 HD2 ARG 31 2HD ARG 31 -7.026 -8.531 2.309 281 HD3 ARG 31 3HD ARG 31 -6.445 -8.646 3.969 282 HE ARG 31 HE ARG 31 -8.983 -9.577 2.940 283 HH11 ARG 31 2HH1 ARG 31 -7.102 -8.755 5.752 284 HH12 ARG 31 1HH1 ARG 31 -8.067 -9.702 6.835 285 HH21 ARG 31 2HH2 ARG 31 -10.261 -10.827 4.356 286 HH22 ARG 31 1HH2 ARG 31 -9.863 -10.881 6.040 287 H GLU 32 HN GLU 32 -6.906 -4.054 7.462 288 HA GLU 32 HA GLU 32 -9.447 -4.404 8.914 289 HB2 GLU 32 2HB GLU 32 -6.603 -4.715 9.836 290 HB3 GLU 32 3HB GLU 32 -7.896 -4.383 10.980 291 HG2 GLU 32 2HG GLU 32 -8.255 -6.632 9.078 292 HG3 GLU 32 3HG GLU 32 -7.127 -6.839 10.417 293 H ARG 33 HN ARG 33 -6.460 -2.612 9.618 294 HA ARG 33 HA ARG 33 -7.603 -0.451 10.864 295 HB2 ARG 33 2HB ARG 33 -5.165 -0.354 9.078 296 HB3 ARG 33 3HB ARG 33 -5.565 0.784 10.358 297 HG2 ARG 33 2HG ARG 33 -5.248 -2.116 10.992 298 HG3 ARG 33 3HG ARG 33 -3.827 -1.090 10.787 299 HD2 ARG 33 2HD ARG 33 -4.271 0.137 12.664 300 HD3 ARG 33 3HD ARG 33 -6.013 -0.113 12.545 301 HE ARG 33 HE ARG 33 -4.100 -1.793 13.901 302 HH11 ARG 33 2HH1 ARG 33 -7.271 -1.584 12.480 303 HH12 ARG 33 1HH1 ARG 33 -7.914 -2.904 13.400 304 HH21 ARG 33 2HH2 ARG 33 -4.934 -3.532 15.119 305 HH22 ARG 33 1HH2 ARG 33 -6.584 -4.011 14.902 306 H VAL 34 HN VAL 34 -6.398 -0.277 7.511 307 HA VAL 34 HA VAL 34 -7.784 2.082 6.876 308 HB VAL 34 HB VAL 34 -6.883 -0.043 4.929 309 HG11 VAL 34 1HG1 VAL 34 -8.374 2.153 4.410 310 HG12 VAL 34 2HG1 VAL 34 -6.746 2.813 4.235 311 HG13 VAL 34 3HG1 VAL 34 -7.247 1.428 3.263 312 HG21 VAL 34 3HG2 VAL 34 -4.822 0.363 5.685 313 HG22 VAL 34 1HG2 VAL 34 -4.981 1.959 4.952 314 HG23 VAL 34 2HG2 VAL 34 -5.363 1.730 6.658 315 H ALA 35 HN ALA 35 -8.732 -1.267 6.795 316 HA ALA 35 HA ALA 35 -10.928 -1.087 5.052 317 HB1 ALA 35 1HB ALA 35 -10.442 -2.952 7.371 318 HB2 ALA 35 2HB ALA 35 -11.718 -3.151 6.169 319 HB3 ALA 35 3HB ALA 35 -10.025 -3.229 5.679 320 H THR 36 HN THR 36 -10.758 -0.817 8.596 321 HA THR 36 HA THR 36 -13.555 -0.159 8.810 322 HB THR 36 HB THR 36 -12.514 -1.379 10.631 323 HG1 THR 36 1HG THR 36 -14.124 -0.156 11.444 324 HG21 THR 36 3HG2 THR 36 -10.536 0.801 10.452 325 HG22 THR 36 1HG2 THR 36 -10.328 -0.882 10.933 326 HG23 THR 36 2HG2 THR 36 -10.964 0.292 12.085 327 H LEU 37 HN LEU 37 -10.556 1.565 8.521 328 HA LEU 37 HA LEU 37 -11.339 4.050 9.574 329 HB2 LEU 37 2HB LEU 37 -9.276 3.193 7.582 330 HB3 LEU 37 3HB LEU 37 -9.553 4.903 7.904 331 HG LEU 37 HG LEU 37 -8.802 2.900 10.028 332 HD11 LEU 37 1HD1 LEU 37 -7.177 4.231 8.013 333 HD12 LEU 37 2HD1 LEU 37 -6.776 2.900 9.097 334 HD13 LEU 37 3HD1 LEU 37 -6.649 4.566 9.662 335 HD21 LEU 37 3HD2 LEU 37 -9.836 5.485 10.190 336 HD22 LEU 37 1HD2 LEU 37 -8.106 5.659 10.486 337 HD23 LEU 37 2HD2 LEU 37 -9.064 4.561 11.480 338 H GLU 38 HN GLU 38 -12.720 5.530 8.859 339 HA GLU 38 HA GLU 38 -14.351 5.180 6.630 340 HB2 GLU 38 2HB GLU 38 -14.545 6.763 8.727 341 HB3 GLU 38 3HB GLU 38 -13.793 7.934 7.652 342 HG2 GLU 38 2HG GLU 38 -16.309 6.422 6.999 343 HG3 GLU 38 3HG GLU 38 -16.275 8.030 7.718 344 H ASP 39 HN ASP 39 -11.245 6.730 6.946 345 HA ASP 39 HA ASP 39 -11.195 7.118 4.039 346 HB2 ASP 39 2HB ASP 39 -11.629 9.274 5.463 347 HB3 ASP 39 3HB ASP 39 -9.906 9.162 5.812 348 HA PRO 40 HA PRO 40 -7.342 5.011 4.387 349 HB2 PRO 40 2HB PRO 40 -6.288 5.698 1.982 350 HB3 PRO 40 3HB PRO 40 -7.590 4.516 2.158 351 HG2 PRO 40 2HG PRO 40 -7.746 7.407 1.398 352 HG3 PRO 40 3HG PRO 40 -8.602 6.020 0.700 353 HD2 PRO 40 2HD PRO 40 -9.763 7.706 2.472 354 HD3 PRO 40 3HD PRO 40 -10.174 5.981 2.385 355 H ARG 41 HN ARG 41 -7.524 8.437 3.716 356 HA ARG 41 HA ARG 41 -4.784 9.055 3.841 357 HB2 ARG 41 2HB ARG 41 -7.243 10.696 4.450 358 HB3 ARG 41 3HB ARG 41 -5.616 11.364 4.474 359 HG2 ARG 41 2HG ARG 41 -6.516 9.910 2.042 360 HG3 ARG 41 3HG ARG 41 -7.136 11.535 2.341 361 HD2 ARG 41 2HD ARG 41 -4.649 12.147 2.723 362 HD3 ARG 41 3HD ARG 41 -4.318 10.641 1.870 363 HE ARG 41 HE ARG 41 -4.783 11.746 -0.060 364 HH11 ARG 41 2HH1 ARG 41 -6.496 13.316 2.532 365 HH12 ARG 41 1HH1 ARG 41 -7.154 14.558 1.519 366 HH21 ARG 41 2HH2 ARG 41 -5.644 13.375 -1.404 367 HH22 ARG 41 1HH2 ARG 41 -6.670 14.590 -0.720 368 H SER 42 HN SER 42 -7.060 8.219 6.281 369 HA SER 42 HA SER 42 -6.184 9.472 8.546 370 HB2 SER 42 2HB SER 42 -8.058 7.779 8.353 371 HB3 SER 42 3HB SER 42 -6.829 6.519 8.460 372 HG SER 42 HG SER 42 -6.831 8.526 10.403 373 H LEU 43 HN LEU 43 -4.885 6.411 7.260 374 HA LEU 43 HA LEU 43 -2.468 6.852 8.881 375 HB2 LEU 43 2HB LEU 43 -3.769 4.363 7.826 376 HB3 LEU 43 3HB LEU 43 -2.086 4.372 8.350 377 HG LEU 43 HG LEU 43 -4.460 5.044 10.089 378 HD11 LEU 43 1HD1 LEU 43 -2.889 2.537 9.655 379 HD12 LEU 43 2HD1 LEU 43 -4.634 2.758 9.785 380 HD13 LEU 43 3HD1 LEU 43 -3.622 2.874 11.224 381 HD21 LEU 43 3HD2 LEU 43 -1.636 5.510 10.375 382 HD22 LEU 43 1HD2 LEU 43 -2.211 4.400 11.620 383 HD23 LEU 43 2HD2 LEU 43 -2.965 5.984 11.435 384 H GLY 44 HN GLY 44 -0.823 7.672 7.774 385 HA2 GLY 44 1HA GLY 44 0.798 6.853 5.977 386 HA3 GLY 44 2HA GLY 44 -0.589 7.009 4.909 387 H GLU 45 HN GLU 45 1.642 8.356 4.243 388 HA GLU 45 HA GLU 45 0.878 11.143 4.779 389 HB2 GLU 45 2HB GLU 45 3.148 11.834 4.995 390 HB3 GLU 45 3HB GLU 45 2.925 10.465 6.076 391 HG2 GLU 45 2HG GLU 45 3.871 9.025 4.220 392 HG3 GLU 45 3HG GLU 45 4.344 10.531 3.434 393 HA PRO 46 HA PRO 46 0.882 11.592 0.407 394 HB2 PRO 46 2HB PRO 46 1.335 14.262 0.217 395 HB3 PRO 46 3HB PRO 46 -0.207 13.585 0.753 396 HG2 PRO 46 2HG PRO 46 2.049 14.685 2.385 397 HG3 PRO 46 3HG PRO 46 0.304 14.929 2.581 398 HD2 PRO 46 2HD PRO 46 1.709 13.177 4.094 399 HD3 PRO 46 3HD PRO 46 0.013 12.905 3.645 400 H LEU 47 HN LEU 47 2.531 10.743 -0.717 401 HA LEU 47 HA LEU 47 5.226 10.976 -0.274 402 HB2 LEU 47 2HB LEU 47 4.370 9.351 -1.804 403 HB3 LEU 47 3HB LEU 47 3.742 10.608 -2.867 404 HG LEU 47 HG LEU 47 6.681 10.472 -2.375 405 HD11 LEU 47 1HD1 LEU 47 7.064 8.745 -3.864 406 HD12 LEU 47 2HD1 LEU 47 5.443 8.838 -4.551 407 HD13 LEU 47 3HD1 LEU 47 5.680 8.152 -2.944 408 HD21 LEU 47 3HD2 LEU 47 6.616 11.159 -4.815 409 HD22 LEU 47 1HD2 LEU 47 5.980 12.324 -3.653 410 HD23 LEU 47 2HD2 LEU 47 4.872 11.343 -4.614 411 H ARG 48 HN ARG 48 6.817 12.399 -0.744 412 HA ARG 48 HA ARG 48 6.099 14.795 -2.295 413 HB2 ARG 48 2HB ARG 48 6.222 15.037 0.293 414 HB3 ARG 48 3HB ARG 48 7.962 14.944 0.054 415 HG2 ARG 48 2HG ARG 48 7.994 16.926 -1.221 416 HG3 ARG 48 3HG ARG 48 6.238 16.926 -1.399 417 HD2 ARG 48 2HD ARG 48 5.885 17.716 0.720 418 HD3 ARG 48 3HD ARG 48 7.372 17.005 1.347 419 HE ARG 48 HE ARG 48 8.041 19.025 -0.476 420 HH11 ARG 48 2HH1 ARG 48 6.603 18.644 2.671 421 HH12 ARG 48 1HH1 ARG 48 7.121 20.196 3.240 422 HH21 ARG 48 2HH2 ARG 48 8.729 21.071 0.261 423 HH22 ARG 48 1HH2 ARG 48 8.330 21.576 1.868 424 H GLY 49 HN GLY 49 7.693 15.660 -3.598 425 HA2 GLY 49 1HA GLY 49 10.422 14.851 -3.482 426 HA3 GLY 49 2HA GLY 49 9.562 13.970 -4.735 427 HA PRO 50 HA PRO 50 11.178 17.823 -6.677 428 HB2 PRO 50 2HB PRO 50 11.888 16.613 -9.001 429 HB3 PRO 50 3HB PRO 50 12.941 16.661 -7.582 430 HG2 PRO 50 2HG PRO 50 11.162 14.455 -8.547 431 HG3 PRO 50 3HG PRO 50 12.817 14.363 -7.918 432 HD2 PRO 50 2HD PRO 50 10.650 13.768 -6.408 433 HD3 PRO 50 3HD PRO 50 12.124 14.481 -5.723 434 H GLU 51 HN GLU 51 8.923 15.352 -7.680 435 HA GLU 51 HA GLU 51 7.056 17.239 -8.659 436 HB2 GLU 51 2HB GLU 51 7.040 16.587 -11.028 437 HB3 GLU 51 3HB GLU 51 8.560 17.344 -10.573 438 HG2 GLU 51 2HG GLU 51 9.378 14.912 -10.223 439 HG3 GLU 51 3HG GLU 51 7.994 14.488 -11.229 440 H LEU 52 HN LEU 52 5.278 16.326 -7.880 441 HA LEU 52 HA LEU 52 4.675 13.560 -8.616 442 HB2 LEU 52 2HB LEU 52 4.023 12.942 -6.409 443 HB3 LEU 52 3HB LEU 52 5.670 13.566 -6.342 444 HG LEU 52 HG LEU 52 4.555 14.385 -4.425 445 HD11 LEU 52 1HD1 LEU 52 5.853 16.012 -6.013 446 HD12 LEU 52 2HD1 LEU 52 4.989 16.629 -4.605 447 HD13 LEU 52 3HD1 LEU 52 4.265 16.755 -6.208 448 HD21 LEU 52 3HD2 LEU 52 2.249 14.007 -5.648 449 HD22 LEU 52 1HD2 LEU 52 2.400 15.735 -5.968 450 HD23 LEU 52 2HD2 LEU 52 2.402 15.143 -4.307 451 H GLY 53 HN GLY 53 2.340 13.023 -8.066 452 HA2 GLY 53 1HA GLY 53 0.683 15.420 -8.561 453 HA3 GLY 53 2HA GLY 53 0.339 13.836 -9.242 454 H ARG 54 HN ARG 54 -0.249 12.111 -7.734 455 HA ARG 54 HA ARG 54 -1.174 12.960 -5.110 456 HB2 ARG 54 2HB ARG 54 -2.973 12.241 -7.384 457 HB3 ARG 54 3HB ARG 54 -3.429 11.745 -5.759 458 HG2 ARG 54 2HG ARG 54 -3.286 14.092 -5.029 459 HG3 ARG 54 3HG ARG 54 -2.906 14.561 -6.688 460 HD2 ARG 54 2HD ARG 54 -5.045 13.766 -7.454 461 HD3 ARG 54 3HD ARG 54 -5.415 13.110 -5.860 462 HE ARG 54 HE ARG 54 -5.774 15.794 -6.720 463 HH11 ARG 54 2HH1 ARG 54 -4.933 13.855 -3.954 464 HH12 ARG 54 1HH1 ARG 54 -5.489 15.024 -2.802 465 HH21 ARG 54 2HH2 ARG 54 -6.509 17.341 -5.214 466 HH22 ARG 54 1HH2 ARG 54 -6.386 17.006 -3.520 467 H PHE 55 HN PHE 55 -0.129 11.485 -3.923 468 HA PHE 55 HA PHE 55 -0.759 8.674 -4.365 469 HB2 PHE 55 2HB PHE 55 2.072 9.720 -4.162 470 HB3 PHE 55 3HB PHE 55 1.624 8.019 -4.084 471 HD1 PHE 55 1HD PHE 55 0.244 7.128 -6.114 472 HD2 PHE 55 2HD PHE 55 2.649 10.640 -6.190 473 HE1 PHE 55 1HE PHE 55 0.378 6.980 -8.567 474 HE2 PHE 55 2HE PHE 55 2.785 10.498 -8.642 475 HZ PHE 55 HZ PHE 55 1.648 8.667 -9.834 476 H TRP 56 HN TRP 56 -0.100 7.313 -2.503 477 HA TRP 56 HA TRP 56 0.171 8.831 -0.004 478 HB2 TRP 56 2HB TRP 56 -2.251 7.993 -0.679 479 HB3 TRP 56 3HB TRP 56 -1.651 6.466 -0.040 480 HD1 TRP 56 1HD TRP 56 -2.027 6.137 2.467 481 HE1 TRP 56 1HE TRP 56 -2.498 7.670 4.480 482 HE3 TRP 56 3HE TRP 56 -1.651 10.673 0.138 483 HZ2 TRP 56 2HZ TRP 56 -2.686 10.436 5.010 484 HZ3 TRP 56 3HZ TRP 56 -1.991 12.714 1.470 485 HH2 TRP 56 2HH TRP 56 -2.498 12.596 3.855 486 H LYS 57 HN LYS 57 1.370 7.856 1.577 487 HA LYS 57 HA LYS 57 2.475 5.198 0.944 488 HB2 LYS 57 2HB LYS 57 3.884 7.600 2.117 489 HB3 LYS 57 3HB LYS 57 4.573 5.982 2.084 490 HG2 LYS 57 2HG LYS 57 4.065 6.161 -0.484 491 HG3 LYS 57 3HG LYS 57 4.106 7.893 -0.147 492 HD2 LYS 57 2HD LYS 57 6.306 6.094 0.805 493 HD3 LYS 57 3HD LYS 57 6.292 6.703 -0.852 494 HE2 LYS 57 2HE LYS 57 5.966 9.016 0.244 495 HE3 LYS 57 3HE LYS 57 6.516 8.226 1.721 496 HZ1 LYS 57 3HZ LYS 57 8.021 9.047 -0.582 497 HZ2 LYS 57 1HZ LYS 57 8.351 7.455 -0.115 498 HZ3 LYS 57 2HZ LYS 57 8.548 8.719 0.992 499 H TYR 58 HN TYR 58 1.983 3.721 2.414 500 HA TYR 58 HA TYR 58 1.097 4.576 5.064 501 HB2 TYR 58 2HB TYR 58 0.928 1.907 3.652 502 HB3 TYR 58 3HB TYR 58 0.347 2.199 5.288 503 HD1 TYR 58 1HD TYR 58 -1.636 3.576 5.678 504 HD2 TYR 58 2HD TYR 58 -0.278 2.742 1.733 505 HE1 TYR 58 1HE TYR 58 -3.802 4.320 4.782 506 HE2 TYR 58 2HE TYR 58 -2.440 3.485 0.826 507 HH TYR 58 HH TYR 58 -5.124 4.340 2.940 508 H ARG 59 HN ARG 59 1.879 3.550 6.983 509 HA ARG 59 HA ARG 59 4.605 2.464 6.707 510 HB2 ARG 59 2HB ARG 59 4.991 3.498 9.001 511 HB3 ARG 59 3HB ARG 59 4.878 4.612 7.646 512 HG2 ARG 59 2HG ARG 59 2.629 5.201 8.244 513 HG3 ARG 59 3HG ARG 59 2.604 3.970 9.509 514 HD2 ARG 59 2HD ARG 59 4.465 5.166 10.634 515 HD3 ARG 59 3HD ARG 59 4.341 6.433 9.413 516 HE ARG 59 HE ARG 59 2.559 5.974 11.638 517 HH11 ARG 59 2HH1 ARG 59 2.981 7.474 8.525 518 HH12 ARG 59 1HH1 ARG 59 1.746 8.661 8.784 519 HH21 ARG 59 2HH2 ARG 59 0.931 7.532 11.991 520 HH22 ARG 59 1HH2 ARG 59 0.581 8.693 10.756 521 H VAL 60 HN VAL 60 4.793 0.444 7.391 522 HA VAL 60 HA VAL 60 3.050 -0.478 9.580 523 HB VAL 60 HB VAL 60 3.702 -1.873 6.997 524 HG11 VAL 60 1HG1 VAL 60 2.314 -3.740 8.397 525 HG12 VAL 60 2HG1 VAL 60 4.069 -3.731 8.207 526 HG13 VAL 60 3HG1 VAL 60 3.334 -3.052 9.660 527 HG21 VAL 60 3HG2 VAL 60 1.485 -1.767 6.564 528 HG22 VAL 60 1HG2 VAL 60 1.035 -1.994 8.254 529 HG23 VAL 60 2HG2 VAL 60 1.555 -0.408 7.685 530 H GLY 61 HN GLY 61 4.560 -0.382 11.194 531 HA2 GLY 61 1HA GLY 61 6.341 -1.048 12.480 532 HA3 GLY 61 2HA GLY 61 6.333 -2.521 11.520 533 H ASP 62 HN ASP 62 7.730 -2.722 9.767 534 HA ASP 62 HA ASP 62 9.687 -0.556 9.416 535 HB2 ASP 62 2HB ASP 62 11.331 -2.604 9.068 536 HB3 ASP 62 3HB ASP 62 11.022 -1.944 10.671 537 H TYR 63 HN TYR 63 7.471 -1.065 7.769 538 HA TYR 63 HA TYR 63 8.853 -1.686 5.274 539 HB2 TYR 63 2HB TYR 63 6.300 -3.028 6.175 540 HB3 TYR 63 3HB TYR 63 6.877 -3.046 4.512 541 HD1 TYR 63 1HD TYR 63 7.826 -4.022 7.973 542 HD2 TYR 63 2HD TYR 63 8.416 -4.663 3.808 543 HE1 TYR 63 1HE TYR 63 9.201 -5.997 8.478 544 HE2 TYR 63 2HE TYR 63 9.792 -6.641 4.302 545 HH TYR 63 HH TYR 63 9.779 -8.296 6.874 546 H ARG 64 HN ARG 64 8.185 -0.477 3.565 547 HA ARG 64 HA ARG 64 6.112 1.526 4.129 548 HB2 ARG 64 2HB ARG 64 8.549 1.510 2.384 549 HB3 ARG 64 3HB ARG 64 7.224 2.608 2.023 550 HG2 ARG 64 2HG ARG 64 8.564 2.483 4.710 551 HG3 ARG 64 3HG ARG 64 9.087 3.558 3.411 552 HD2 ARG 64 2HD ARG 64 6.769 4.486 3.355 553 HD3 ARG 64 3HD ARG 64 6.404 3.520 4.784 554 HE ARG 64 HE ARG 64 7.874 5.972 4.692 555 HH11 ARG 64 2HH1 ARG 64 7.482 2.975 6.419 556 HH12 ARG 64 1HH1 ARG 64 8.085 3.608 7.915 557 HH21 ARG 64 2HH2 ARG 64 8.669 6.816 6.656 558 HH22 ARG 64 1HH2 ARG 64 8.759 5.793 8.049 559 H LEU 65 HN LEU 65 4.336 1.732 2.870 560 HA LEU 65 HA LEU 65 4.136 0.020 0.485 561 HB2 LEU 65 2HB LEU 65 1.807 0.512 2.306 562 HB3 LEU 65 3HB LEU 65 1.994 -0.722 1.062 563 HG LEU 65 HG LEU 65 3.581 -0.697 3.623 564 HD11 LEU 65 1HD1 LEU 65 1.068 -2.239 3.000 565 HD12 LEU 65 2HD1 LEU 65 1.181 -0.874 4.109 566 HD13 LEU 65 3HD1 LEU 65 2.044 -2.370 4.463 567 HD21 LEU 65 3HD2 LEU 65 4.649 -1.982 1.926 568 HD22 LEU 65 1HD2 LEU 65 3.127 -2.738 1.455 569 HD23 LEU 65 2HD2 LEU 65 3.852 -3.114 3.019 570 H ILE 66 HN ILE 66 4.184 1.493 -1.110 571 HA ILE 66 HA ILE 66 2.726 3.998 -0.846 572 HB ILE 66 HB ILE 66 4.305 3.046 -3.233 573 HG12 ILE 66 2HG1 ILE 66 5.206 4.511 -0.751 574 HG13 ILE 66 3HG1 ILE 66 5.839 3.003 -1.403 575 HG21 ILE 66 1HG2 ILE 66 4.011 5.900 -2.481 576 HG22 ILE 66 2HG2 ILE 66 4.117 5.153 -4.074 577 HG23 ILE 66 3HG2 ILE 66 2.607 5.083 -3.166 578 HD11 ILE 66 3HD1 ILE 66 7.379 4.807 -1.820 579 HD12 ILE 66 1HD1 ILE 66 6.702 4.233 -3.344 580 HD13 ILE 66 2HD1 ILE 66 6.117 5.736 -2.629 581 H CYS 67 HN CYS 67 0.591 3.806 -1.155 582 HA CYS 67 HA CYS 67 -0.333 2.281 -3.501 583 HB2 CYS 67 2HB CYS 67 -2.018 2.985 -1.099 584 HB3 CYS 67 3HB CYS 67 -2.373 1.816 -2.365 585 HG CYS 67 HG CYS 67 0.445 0.964 -0.927 586 H HIS 68 HN HIS 68 -2.482 3.123 -4.361 587 HA HIS 68 HA HIS 68 -2.353 6.064 -4.488 588 HB2 HIS 68 2HB HIS 68 -1.849 4.718 -6.595 589 HB3 HIS 68 3HB HIS 68 -3.551 4.267 -6.595 590 HD2 HIS 68 2HD HIS 68 -2.722 7.942 -5.679 591 HE1 HIS 68 1HE HIS 68 -4.256 7.882 -9.634 592 HE2 HIS 68 2HE HIS 68 -3.481 9.331 -7.725 593 H ILE 69 HN ILE 69 -4.012 7.133 -3.654 594 HA ILE 69 HA ILE 69 -6.428 5.688 -2.920 595 HB ILE 69 HB ILE 69 -5.557 8.517 -2.320 596 HG12 ILE 69 2HG1 ILE 69 -5.709 6.047 -0.579 597 HG13 ILE 69 3HG1 ILE 69 -4.233 6.790 -1.183 598 HG21 ILE 69 1HG2 ILE 69 -7.876 7.054 -1.087 599 HG22 ILE 69 2HG2 ILE 69 -7.458 8.760 -0.940 600 HG23 ILE 69 3HG2 ILE 69 -8.053 8.127 -2.475 601 HD11 ILE 69 3HD1 ILE 69 -4.945 7.264 1.228 602 HD12 ILE 69 1HD1 ILE 69 -4.437 8.623 0.226 603 HD13 ILE 69 2HD1 ILE 69 -6.153 8.331 0.513 604 H GLN 70 HN GLN 70 -7.944 5.502 -4.436 605 HA GLN 70 HA GLN 70 -8.335 7.662 -6.368 606 HB2 GLN 70 2HB GLN 70 -9.181 4.782 -6.266 607 HB3 GLN 70 3HB GLN 70 -9.962 5.910 -7.367 608 HG2 GLN 70 2HG GLN 70 -7.609 6.459 -8.189 609 HG3 GLN 70 3HG GLN 70 -7.109 5.001 -7.334 610 HE21 GLN 70 1HE2 GLN 70 -6.984 5.523 -10.158 611 HE22 GLN 70 2HE2 GLN 70 -7.955 4.324 -10.933 612 H ASP 71 HN ASP 71 -9.475 9.213 -5.277 613 HA ASP 71 HA ASP 71 -11.544 8.825 -3.462 614 HB2 ASP 71 2HB ASP 71 -12.156 11.137 -3.871 615 HB3 ASP 71 3HB ASP 71 -10.400 10.991 -3.865 616 H ARG 72 HN ARG 72 -11.643 9.078 -6.985 617 HA ARG 72 HA ARG 72 -14.230 9.361 -7.615 618 HB2 ARG 72 2HB ARG 72 -12.231 7.402 -8.720 619 HB3 ARG 72 3HB ARG 72 -13.846 7.546 -9.401 620 HG2 ARG 72 2HG ARG 72 -13.423 9.933 -9.836 621 HG3 ARG 72 3HG ARG 72 -11.781 9.729 -9.221 622 HD2 ARG 72 2HD ARG 72 -12.840 8.030 -11.456 623 HD3 ARG 72 3HD ARG 72 -12.153 9.625 -11.762 624 HE ARG 72 HE ARG 72 -10.212 8.479 -10.333 625 HH11 ARG 72 2HH1 ARG 72 -12.066 7.306 -13.036 626 HH12 ARG 72 1HH1 ARG 72 -10.793 6.296 -13.638 627 HH21 ARG 72 2HH2 ARG 72 -8.529 7.154 -11.116 628 HH22 ARG 72 1HH2 ARG 72 -8.782 6.210 -12.545 629 H GLU 73 HN GLU 73 -12.878 6.130 -6.915 630 HA GLU 73 HA GLU 73 -15.544 5.347 -5.932 631 HB2 GLU 73 2HB GLU 73 -13.583 3.881 -7.654 632 HB3 GLU 73 3HB GLU 73 -14.654 2.971 -6.600 633 HG2 GLU 73 2HG GLU 73 -16.574 4.177 -7.668 634 HG3 GLU 73 3HG GLU 73 -15.423 4.827 -8.833 635 H ALA 74 HN ALA 74 -13.349 6.487 -4.410 636 HA ALA 74 HA ALA 74 -11.922 6.027 -2.645 637 HB1 ALA 74 1HB ALA 74 -14.661 5.096 -2.072 638 HB2 ALA 74 2HB ALA 74 -13.411 4.579 -0.939 639 HB3 ALA 74 3HB ALA 74 -13.670 6.297 -1.243 640 H THR 75 HN THR 75 -11.059 4.386 -4.574 641 HA THR 75 HA THR 75 -10.797 1.748 -3.286 642 HB THR 75 HB THR 75 -10.486 2.487 -6.202 643 HG1 THR 75 1HG THR 75 -12.447 1.091 -4.703 644 HG21 THR 75 3HG2 THR 75 -10.551 -0.347 -5.510 645 HG22 THR 75 1HG2 THR 75 -9.134 0.488 -4.877 646 HG23 THR 75 2HG2 THR 75 -9.480 0.524 -6.606 647 H VAL 76 HN VAL 76 -8.899 1.340 -2.380 648 HA VAL 76 HA VAL 76 -6.598 3.009 -3.031 649 HB VAL 76 HB VAL 76 -6.860 0.896 -0.887 650 HG11 VAL 76 1HG1 VAL 76 -4.944 3.091 -0.565 651 HG12 VAL 76 2HG1 VAL 76 -4.759 1.365 -0.248 652 HG13 VAL 76 3HG1 VAL 76 -4.576 1.986 -1.889 653 HG21 VAL 76 3HG2 VAL 76 -7.805 2.390 0.496 654 HG22 VAL 76 1HG2 VAL 76 -6.797 3.713 -0.091 655 HG23 VAL 76 2HG2 VAL 76 -8.245 3.245 -0.982 656 H LEU 77 HN LEU 77 -5.566 2.324 -4.817 657 HA LEU 77 HA LEU 77 -5.044 -0.547 -5.132 658 HB2 LEU 77 2HB LEU 77 -6.041 0.302 -7.076 659 HB3 LEU 77 3HB LEU 77 -5.059 1.765 -7.042 660 HG LEU 77 HG LEU 77 -3.100 0.023 -7.426 661 HD11 LEU 77 1HD1 LEU 77 -4.148 -2.028 -7.442 662 HD12 LEU 77 2HD1 LEU 77 -4.098 -1.639 -9.161 663 HD13 LEU 77 3HD1 LEU 77 -5.589 -1.407 -8.248 664 HD21 LEU 77 3HD2 LEU 77 -4.815 0.659 -9.792 665 HD22 LEU 77 1HD2 LEU 77 -3.059 0.709 -9.634 666 HD23 LEU 77 2HD2 LEU 77 -4.048 1.956 -8.874 667 H VAL 78 HN VAL 78 -3.163 -1.221 -4.358 668 HA VAL 78 HA VAL 78 -1.036 0.373 -3.553 669 HB VAL 78 HB VAL 78 -0.723 -2.472 -4.500 670 HG11 VAL 78 1HG1 VAL 78 0.837 -0.598 -2.822 671 HG12 VAL 78 2HG1 VAL 78 0.788 -2.286 -2.308 672 HG13 VAL 78 3HG1 VAL 78 1.385 -1.868 -3.915 673 HG21 VAL 78 3HG2 VAL 78 -2.363 -1.420 -2.348 674 HG22 VAL 78 1HG2 VAL 78 -2.287 -3.049 -3.018 675 HG23 VAL 78 2HG2 VAL 78 -1.146 -2.556 -1.767 676 H LEU 79 HN LEU 79 1.111 0.595 -4.425 677 HA LEU 79 HA LEU 79 1.259 0.352 -7.353 678 HB2 LEU 79 2HB LEU 79 2.264 2.698 -5.750 679 HB3 LEU 79 3HB LEU 79 2.349 2.506 -7.500 680 HG LEU 79 HG LEU 79 -0.280 2.620 -6.051 681 HD11 LEU 79 1HD1 LEU 79 0.321 5.091 -7.321 682 HD12 LEU 79 2HD1 LEU 79 1.621 4.711 -6.192 683 HD13 LEU 79 3HD1 LEU 79 -0.048 4.780 -5.625 684 HD21 LEU 79 3HD2 LEU 79 -1.117 3.296 -8.218 685 HD22 LEU 79 1HD2 LEU 79 -0.230 1.779 -8.366 686 HD23 LEU 79 2HD2 LEU 79 0.517 3.291 -8.882 687 H ARG 80 HN ARG 80 3.064 0.791 -4.333 688 HA ARG 80 HA ARG 80 5.139 -0.981 -5.369 689 HB2 ARG 80 2HB ARG 80 5.838 1.377 -5.851 690 HB3 ARG 80 3HB ARG 80 5.812 1.686 -4.120 691 HG2 ARG 80 2HG ARG 80 8.059 1.279 -4.684 692 HG3 ARG 80 3HG ARG 80 7.485 -0.184 -3.881 693 HD2 ARG 80 2HD ARG 80 8.806 -0.744 -5.845 694 HD3 ARG 80 3HD ARG 80 7.126 -1.235 -6.064 695 HE ARG 80 HE ARG 80 6.965 0.235 -7.809 696 HH11 ARG 80 2HH1 ARG 80 9.784 1.017 -5.922 697 HH12 ARG 80 1HH1 ARG 80 10.369 2.199 -7.046 698 HH21 ARG 80 2HH2 ARG 80 7.724 1.788 -9.296 699 HH22 ARG 80 1HH2 ARG 80 9.196 2.637 -8.965 700 H VAL 81 HN VAL 81 6.134 -2.208 -3.817 701 HA VAL 81 HA VAL 81 5.477 -1.663 -1.007 702 HB VAL 81 HB VAL 81 5.054 -4.272 -2.456 703 HG11 VAL 81 1HG1 VAL 81 5.662 -5.371 -0.624 704 HG12 VAL 81 2HG1 VAL 81 5.955 -3.859 0.238 705 HG13 VAL 81 3HG1 VAL 81 4.344 -4.578 0.239 706 HG21 VAL 81 3HG2 VAL 81 3.199 -2.702 -0.673 707 HG22 VAL 81 1HG2 VAL 81 3.225 -2.574 -2.432 708 HG23 VAL 81 2HG2 VAL 81 2.801 -4.105 -1.665 709 H GLY 82 HN GLY 82 7.339 -1.460 0.042 710 HA2 GLY 82 1HA GLY 82 9.358 -3.520 -0.168 711 HA3 GLY 82 2HA GLY 82 9.867 -1.951 -0.774 712 H HIS 83 HN HIS 83 11.022 -3.355 1.426 713 HA HIS 83 HA HIS 83 10.159 -2.574 3.941 714 HB2 HIS 83 2HB HIS 83 12.025 -4.177 3.433 715 HB3 HIS 83 3HB HIS 83 13.051 -2.789 3.085 716 HD2 HIS 83 2HD HIS 83 12.259 -5.006 5.988 717 HE1 HIS 83 1HE HIS 83 13.569 -1.350 7.696 718 HE2 HIS 83 2HE HIS 83 13.134 -3.797 8.101 719 H ALA 84 HN ALA 84 10.770 -0.870 5.340 720 HA ALA 84 HA ALA 84 10.595 1.688 4.320 721 HB1 ALA 84 1HB ALA 84 12.140 1.455 6.815 722 HB2 ALA 84 2HB ALA 84 10.674 2.371 6.465 723 HB3 ALA 84 3HB ALA 84 10.574 0.644 6.808 724 H ARG 85 HN ARG 85 13.569 0.416 5.826 725 HA ARG 85 HA ARG 85 15.387 2.259 5.194 726 HB2 ARG 85 2HB ARG 85 15.798 -0.705 4.755 727 HB3 ARG 85 3HB ARG 85 17.078 0.485 4.955 728 HG2 ARG 85 2HG ARG 85 15.011 0.246 7.080 729 HG3 ARG 85 3HG ARG 85 16.263 -0.992 6.962 730 HD2 ARG 85 2HD ARG 85 17.949 0.466 7.503 731 HD3 ARG 85 3HD ARG 85 17.078 1.869 6.884 732 HE ARG 85 HE ARG 85 15.929 0.648 9.240 733 HH11 ARG 85 2HH1 ARG 85 18.094 3.062 7.973 734 HH12 ARG 85 1HH1 ARG 85 18.041 4.045 9.399 735 HH21 ARG 85 2HH2 ARG 85 15.852 1.934 11.123 736 HH22 ARG 85 1HH2 ARG 85 16.766 3.402 11.190 737 H ASP 86 HN ASP 86 14.379 -0.275 2.904 738 HA ASP 86 HA ASP 86 15.920 0.663 0.739 739 HB2 ASP 86 2HB ASP 86 14.729 -1.616 1.057 740 HB3 ASP 86 3HB ASP 86 13.318 -0.801 0.387 741 H VAL 87 HN VAL 87 12.364 0.768 0.972 742 HA VAL 87 HA VAL 87 11.845 2.537 -1.040 743 HB VAL 87 HB VAL 87 10.419 2.399 1.621 744 HG11 VAL 87 1HG1 VAL 87 9.840 3.851 -0.909 745 HG12 VAL 87 2HG1 VAL 87 8.489 3.148 -0.017 746 HG13 VAL 87 3HG1 VAL 87 9.543 4.328 0.762 747 HG21 VAL 87 3HG2 VAL 87 10.424 0.246 0.587 748 HG22 VAL 87 1HG2 VAL 87 8.830 0.957 0.329 749 HG23 VAL 87 2HG2 VAL 87 10.010 0.935 -0.982 750 H TYR 88 HN TYR 88 11.658 4.760 -1.263 751 HA TYR 88 HA TYR 88 13.580 6.394 -0.238 752 HB2 TYR 88 2HB TYR 88 10.833 7.456 -0.867 753 HB3 TYR 88 3HB TYR 88 12.390 8.237 -1.120 754 HD1 TYR 88 1HD TYR 88 14.009 6.916 -2.762 755 HD2 TYR 88 2HD TYR 88 9.772 6.533 -2.697 756 HE1 TYR 88 1HE TYR 88 14.055 6.084 -5.076 757 HE2 TYR 88 2HE TYR 88 9.806 5.699 -5.011 758 HH TYR 88 HH TYR 88 11.062 5.374 -6.832 759 H ARG 89 HN ARG 89 13.892 7.643 1.532 760 HA ARG 89 HA ARG 89 12.518 7.017 3.915 761 HB2 ARG 89 2HB ARG 89 13.920 8.651 4.975 762 HB3 ARG 89 3HB ARG 89 14.885 7.802 3.775 763 HG2 ARG 89 2HG ARG 89 15.033 9.631 2.395 764 HG3 ARG 89 3HG ARG 89 13.552 10.357 3.023 765 HD2 ARG 89 2HD ARG 89 14.611 11.153 4.939 766 HD3 ARG 89 3HD ARG 89 15.960 10.030 4.773 767 HE ARG 89 HE ARG 89 17.011 11.569 3.459 768 HH11 ARG 89 2HH1 ARG 89 13.611 12.314 3.548 769 HH12 ARG 89 1HH1 ARG 89 13.780 13.797 2.670 770 HH21 ARG 89 2HH2 ARG 89 17.246 13.520 2.301 771 HH22 ARG 89 1HH2 ARG 89 15.848 14.482 1.960
Contact the webmaster for help, if required. Thursday, May 23, 2024 5:35:53 PM GMT (wattos1)