NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9392 | 1nvo | 5747 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ACE 0 H1 ACE 0 3.715 7.875 6.778 2 2H ACE 0 H2 ACE 0 2.862 6.784 5.657 3 3H ACE 0 H3 ACE 0 3.260 6.238 7.299 4 H ASP 1 H ASP 1 1.616 9.012 5.733 5 HA ASP 1 HA ASP 1 -0.792 8.547 7.446 6 1HB ASP 1 1HB ASP 1 0.324 10.489 8.354 7 2HB ASP 1 2HB ASP 1 0.436 11.251 6.765 8 H TYR 2 H TYR 2 -0.395 11.009 4.873 9 HA TYR 2 HA TYR 2 -2.610 10.310 3.366 10 1HB TYR 2 1HB TYR 2 -0.210 11.936 2.954 11 2HB TYR 2 2HB TYR 2 -0.847 11.230 1.483 12 HD1 TYR 2 HD1 TYR 2 -3.090 11.794 0.621 13 HD2 TYR 2 HD2 TYR 2 -1.887 12.910 4.551 14 HE1 TYR 2 HE1 TYR 2 -5.097 13.237 0.834 15 HE2 TYR 2 HE2 TYR 2 -3.913 14.322 4.823 16 HH TYR 2 HH TYR 2 -5.907 14.931 3.877 17 H LEU 3 H LEU 3 0.404 8.548 3.376 18 HA LEU 3 HA LEU 3 -0.539 7.078 1.012 19 1HB LEU 3 1HB LEU 3 2.312 7.581 1.955 20 2HB LEU 3 2HB LEU 3 1.829 6.815 0.439 21 HG LEU 3 HG LEU 3 1.251 9.736 1.152 22 1HD1 LEU 3 1HD1 LEU 3 3.658 9.337 0.929 23 2HD1 LEU 3 2HD1 LEU 3 3.397 8.561 -0.649 24 3HD1 LEU 3 3HD1 LEU 3 3.031 10.285 -0.430 25 1HD2 LEU 3 1HD2 LEU 3 0.996 8.214 -1.481 26 2HD2 LEU 3 2HD2 LEU 3 -0.360 8.807 -0.500 27 3HD2 LEU 3 3HD2 LEU 3 0.744 9.957 -1.259 28 H ARG 4 H ARG 4 -0.241 6.566 4.320 29 HA ARG 4 HA ARG 4 0.954 3.948 4.145 30 1HB ARG 4 1HB ARG 4 -0.333 3.394 6.204 31 2HB ARG 4 2HB ARG 4 0.829 4.715 6.339 32 1HG ARG 4 1HG ARG 4 -0.818 6.345 6.486 33 2HG ARG 4 2HG ARG 4 -2.113 5.325 5.846 34 1HD ARG 4 1HD ARG 4 -2.094 3.975 7.876 35 2HD ARG 4 2HD ARG 4 -0.667 4.866 8.485 36 HE ARG 4 HE ARG 4 -2.692 6.744 7.910 37 1HH1 ARG 4 1HH2 ARG 4 -2.171 4.055 10.113 38 2HH1 ARG 4 2HH2 ARG 4 -2.999 4.788 11.461 39 1HH2 ARG 4 1HH1 ARG 4 -3.710 7.772 9.651 40 2HH2 ARG 4 2HH1 ARG 4 -3.906 6.975 11.186 41 H GLU 5 H GLU 5 -2.269 5.257 3.538 42 HA GLU 5 HA GLU 5 -3.353 2.516 3.327 43 1HB GLU 5 1HB GLU 5 -4.637 5.249 3.416 44 2HB GLU 5 2HB GLU 5 -5.527 3.765 3.043 45 1HG GLU 5 1HG GLU 5 -5.257 2.847 5.150 46 2HG GLU 5 2HG GLU 5 -3.725 3.650 5.460 47 H LEU 6 H LEU 6 -2.189 5.047 1.209 48 HA LEU 6 HA LEU 6 -3.507 3.869 -1.132 49 1HB LEU 6 1HB LEU 6 -1.629 6.225 -0.796 50 2HB LEU 6 2HB LEU 6 -2.349 5.658 -2.308 51 HG LEU 6 HG LEU 6 -4.567 6.162 -1.619 52 1HD1 LEU 6 1HD1 LEU 6 -4.798 5.786 0.657 53 2HD1 LEU 6 2HD1 LEU 6 -3.398 6.779 1.090 54 3HD1 LEU 6 3HD1 LEU 6 -4.897 7.535 0.546 55 1HD2 LEU 6 1HD2 LEU 6 -2.810 7.849 -2.553 56 2HD2 LEU 6 2HD2 LEU 6 -4.333 8.468 -1.968 57 3HD2 LEU 6 3HD2 LEU 6 -2.882 8.582 -0.941 58 H LEU 7 H LEU 7 -0.302 3.625 0.426 59 HA LEU 7 HA LEU 7 0.497 1.970 -1.825 60 1HB LEU 7 1HB LEU 7 2.589 2.857 -2.126 61 2HB LEU 7 2HB LEU 7 1.520 4.241 -1.970 62 HG LEU 7 HG LEU 7 2.298 4.354 0.493 63 1HD1 LEU 7 1HD1 LEU 7 3.848 2.030 -0.280 64 2HD1 LEU 7 2HD1 LEU 7 4.945 3.364 0.084 65 3HD1 LEU 7 3HD1 LEU 7 3.768 2.856 1.288 66 1HD2 LEU 7 1HD2 LEU 7 4.316 4.938 -1.692 67 2HD2 LEU 7 2HD2 LEU 7 2.939 5.955 -1.279 68 3HD2 LEU 7 3HD2 LEU 7 4.227 5.694 -0.090 69 H LYS 8 H LYS 8 0.989 2.653 1.642 70 HA LYS 8 HA LYS 8 2.783 0.518 1.898 71 1HB LYS 8 1HB LYS 8 2.440 2.514 3.426 72 2HB LYS 8 2HB LYS 8 1.129 1.580 4.200 73 1HG LYS 8 1HG LYS 8 2.710 -0.135 4.878 74 2HG LYS 8 2HG LYS 8 4.025 0.691 4.011 75 1HD LYS 8 1HD LYS 8 3.726 2.713 5.396 76 2HD LYS 8 2HD LYS 8 2.351 1.970 6.235 77 1HE LYS 8 1HE LYS 8 3.832 0.245 7.190 78 2HE LYS 8 2HE LYS 8 5.217 0.919 6.306 79 1HZ LYS 8 1HZ LYS 8 4.944 2.945 7.527 80 2HZ LYS 8 2HZ LYS 8 3.638 2.348 8.334 81 3HZ LYS 8 3HZ LYS 8 5.127 1.683 8.570 82 H LEU 9 H LEU 9 -0.727 0.727 2.187 83 HA LEU 9 HA LEU 9 -1.141 -2.058 2.899 84 1HB LEU 9 1HB LEU 9 -2.915 -0.005 1.564 85 2HB LEU 9 2HB LEU 9 -3.418 -1.671 1.887 86 HG LEU 9 HG LEU 9 -2.536 0.285 4.049 87 1HD1 LEU 9 1HD1 LEU 9 -4.728 0.887 2.906 88 2HD1 LEU 9 2HD1 LEU 9 -5.332 -0.699 3.360 89 3HD1 LEU 9 3HD1 LEU 9 -4.901 0.464 4.620 90 1HD2 LEU 9 1HD2 LEU 9 -3.775 -2.510 4.159 91 2HD2 LEU 9 2HD2 LEU 9 -2.191 -2.023 4.809 92 3HD2 LEU 9 3HD2 LEU 9 -3.669 -1.414 5.550 93 H GLU 10 H GLU 10 -0.850 -0.300 -0.234 94 HA GLU 10 HA GLU 10 -1.585 -2.412 -1.938 95 1HB GLU 10 1HB GLU 10 0.558 -0.296 -2.337 96 2HB GLU 10 2HB GLU 10 -0.078 -1.319 -3.575 97 1HG GLU 10 1HG GLU 10 -1.872 0.631 -2.081 98 2HG GLU 10 2HG GLU 10 -0.953 1.027 -3.532 99 H LEU 11 H LEU 11 1.548 -1.693 -0.364 100 HA LEU 11 HA LEU 11 3.096 -3.694 -1.637 101 1HB LEU 11 1HB LEU 11 3.995 -1.975 -0.049 102 2HB LEU 11 2HB LEU 11 3.145 -2.777 1.277 103 HG LEU 11 HG LEU 11 4.544 -4.842 0.882 104 1HD1 LEU 11 1HD1 LEU 11 5.275 -4.403 -1.447 105 2HD1 LEU 11 2HD1 LEU 11 6.120 -2.933 -0.911 106 3HD1 LEU 11 3HD1 LEU 11 6.668 -4.532 -0.366 107 1HD2 LEU 11 1HD2 LEU 11 5.990 -2.256 1.575 108 2HD2 LEU 11 2HD2 LEU 11 5.007 -3.242 2.680 109 3HD2 LEU 11 3HD2 LEU 11 6.511 -3.899 2.014 110 H GLN 12 H GLN 12 1.011 -4.039 1.285 111 HA GLN 12 HA GLN 12 1.595 -6.862 1.559 112 1HB GLN 12 1HB GLN 12 -0.705 -5.158 2.630 113 2HB GLN 12 2HB GLN 12 -0.601 -6.895 2.859 114 1HG GLN 12 1HG GLN 12 0.293 -6.043 4.835 115 2HG GLN 12 2HG GLN 12 1.685 -6.613 3.907 116 1HE2 GLN 12 2HE2 GLN 12 -0.350 -3.659 4.218 117 2HE2 GLN 12 1HE2 GLN 12 1.002 -2.552 4.026 118 H LEU 13 H LEU 13 -0.627 -5.081 -0.545 119 HA LEU 13 HA LEU 13 -2.283 -7.418 -1.034 120 1HB LEU 13 1HB LEU 13 -2.097 -4.857 -2.650 121 2HB LEU 13 2HB LEU 13 -3.274 -6.156 -2.796 122 HG LEU 13 HG LEU 13 -2.971 -4.128 -0.587 123 1HD1 LEU 13 1HD1 LEU 13 -4.471 -3.795 -2.602 124 2HD1 LEU 13 2HD1 LEU 13 -5.390 -5.217 -2.047 125 3HD1 LEU 13 3HD1 LEU 13 -5.335 -3.770 -1.041 126 1HD2 LEU 13 1HD2 LEU 13 -4.528 -6.752 -0.368 127 2HD2 LEU 13 2HD2 LEU 13 -3.209 -6.214 0.705 128 3HD2 LEU 13 3HD2 LEU 13 -4.742 -5.347 0.691 129 H ILE 14 H ILE 14 0.384 -5.767 -2.793 130 HA ILE 14 HA ILE 14 0.588 -7.703 -4.927 131 HB ILE 14 HB ILE 14 2.702 -5.986 -3.478 132 1HG1 ILE 14 1HG1 ILE 14 1.070 -4.586 -4.475 133 2HG1 ILE 14 2HG1 ILE 14 2.488 -4.556 -5.510 134 1HG2 ILE 14 1HG2 ILE 14 3.900 -7.779 -4.624 135 2HG2 ILE 14 2HG2 ILE 14 2.965 -7.537 -6.105 136 3HG2 ILE 14 3HG2 ILE 14 4.084 -6.284 -5.541 137 1HD1 ILE 14 1HD1 ILE 14 1.239 -6.423 -6.882 138 2HD1 ILE 14 2HD1 ILE 14 -0.193 -5.897 -5.965 139 3HD1 ILE 14 3HD1 ILE 14 0.665 -4.763 -7.008 140 H LYS 15 H LYS 15 2.300 -7.568 -1.888 141 HA LYS 15 HA LYS 15 3.408 -10.132 -1.958 142 1HB LYS 15 1HB LYS 15 3.504 -8.175 -0.137 143 2HB LYS 15 2HB LYS 15 2.285 -9.152 0.668 144 1HG LYS 15 1HG LYS 15 4.467 -9.650 1.533 145 2HG LYS 15 2HG LYS 15 3.923 -11.082 0.645 146 1HD LYS 15 1HD LYS 15 5.411 -10.676 -1.169 147 2HD LYS 15 2HD LYS 15 5.616 -8.969 -0.763 148 1HE LYS 15 1HE LYS 15 6.661 -11.267 0.955 149 2HE LYS 15 2HE LYS 15 7.608 -10.424 -0.283 150 1HZ LYS 15 1HZ LYS 15 7.276 -8.386 0.900 151 2HZ LYS 15 2HZ LYS 15 6.422 -9.153 2.080 152 3HZ LYS 15 3HZ LYS 15 8.016 -9.504 1.854 153 H GLN 16 H GLN 16 0.096 -9.358 -0.760 154 HA GLN 16 HA GLN 16 -0.517 -12.131 -0.096 155 1HB GLN 16 1HB GLN 16 -2.106 -9.569 -0.256 156 2HB GLN 16 2HB GLN 16 -2.957 -11.085 -0.455 157 1HG GLN 16 1HG GLN 16 -3.126 -10.516 1.814 158 2HG GLN 16 2HG GLN 16 -2.104 -11.944 1.689 159 1HE2 GLN 16 2HE2 GLN 16 0.422 -11.244 1.527 160 2HE2 GLN 16 1HE2 GLN 16 0.861 -10.050 2.740 161 H TYR 17 H TYR 17 -0.671 -10.186 -3.014 162 HA TYR 17 HA TYR 17 -2.447 -11.846 -4.539 163 1HB TYR 17 1HB TYR 17 -0.498 -9.664 -5.088 164 2HB TYR 17 2HB TYR 17 -0.781 -10.784 -6.364 165 HD1 TYR 17 HD1 TYR 17 -1.717 -7.674 -5.279 166 HD2 TYR 17 HD2 TYR 17 -3.312 -11.307 -6.951 167 HE1 TYR 17 HE1 TYR 17 -3.558 -6.396 -6.288 168 HE2 TYR 17 HE2 TYR 17 -5.215 -10.034 -7.883 169 HH TYR 17 HH TYR 17 -6.303 -7.939 -7.952 170 H ARG 18 H ARG 18 0.870 -12.162 -3.562 171 HA ARG 18 HA ARG 18 1.514 -14.141 -5.644 172 1HB ARG 18 1HB ARG 18 3.124 -13.131 -3.263 173 2HB ARG 18 2HB ARG 18 3.642 -14.383 -4.402 174 1HG ARG 18 1HG ARG 18 3.259 -12.693 -6.288 175 2HG ARG 18 2HG ARG 18 3.000 -11.490 -5.027 176 1HD ARG 18 1HD ARG 18 5.221 -11.148 -5.442 177 2HD ARG 18 2HD ARG 18 5.391 -12.326 -4.151 178 HE ARG 18 HE ARG 18 5.887 -12.596 -7.058 179 1HH1 ARG 18 1HH2 ARG 18 5.682 -14.371 -4.010 180 2HH1 ARG 18 2HH2 ARG 18 6.557 -15.756 -4.597 181 1HH2 ARG 18 1HH1 ARG 18 7.034 -14.364 -7.828 182 2HH2 ARG 18 2HH1 ARG 18 7.352 -15.747 -6.820 183 H GLU 19 H GLU 19 0.374 -13.989 -2.352 184 HA GLU 19 HA GLU 19 0.680 -16.837 -1.847 185 1HB GLU 19 1HB GLU 19 0.388 -14.972 -0.079 186 2HB GLU 19 2HB GLU 19 -1.333 -15.023 -0.502 187 1HG GLU 19 1HG GLU 19 -1.295 -17.507 -0.053 188 2HG GLU 19 2HG GLU 19 0.383 -17.339 0.495 189 H ALA 20 H ALA 20 -2.018 -14.633 -2.855 190 HA ALA 20 HA ALA 20 -3.905 -16.803 -3.032 191 1HB ALA 20 1HB ALA 20 -4.499 -14.395 -2.813 192 2HB ALA 20 2HB ALA 20 -3.951 -14.172 -4.510 193 3HB ALA 20 3HB ALA 20 -5.349 -15.203 -4.146 194 H LEU 21 H LEU 21 -1.617 -15.410 -5.378 195 HA LEU 21 HA LEU 21 -2.350 -16.448 -7.767 196 1HB LEU 21 1HB LEU 21 -0.220 -15.214 -7.317 197 2HB LEU 21 2HB LEU 21 0.418 -16.652 -6.510 198 HG LEU 21 HG LEU 21 0.276 -17.909 -8.681 199 1HD1 LEU 21 1HD1 LEU 21 -1.491 -16.656 -9.806 200 2HD1 LEU 21 2HD1 LEU 21 -0.538 -15.164 -9.682 201 3HD1 LEU 21 3HD1 LEU 21 -0.011 -16.489 -10.752 202 1HD2 LEU 21 1HD2 LEU 21 1.882 -15.323 -8.691 203 2HD2 LEU 21 2HD2 LEU 21 2.366 -16.868 -7.963 204 3HD2 LEU 21 3HD2 LEU 21 2.186 -16.740 -9.721 205 H GLU 22 H GLU 22 -0.945 -18.327 -5.061 206 HA GLU 22 HA GLU 22 -0.559 -20.669 -6.743 207 1HB GLU 22 1HB GLU 22 -0.250 -20.394 -3.719 208 2HB GLU 22 2HB GLU 22 0.299 -21.719 -4.756 209 1HG GLU 22 1HG GLU 22 1.535 -19.710 -6.060 210 2HG GLU 22 2HG GLU 22 1.393 -18.916 -4.485 211 H TYR 23 H TYR 23 -2.689 -19.694 -4.035 212 HA TYR 23 HA TYR 23 -4.189 -22.086 -3.865 213 1HB TYR 23 1HB TYR 23 -4.640 -19.156 -3.181 214 2HB TYR 23 2HB TYR 23 -5.918 -20.316 -2.976 215 HD1 TYR 23 HD1 TYR 23 -3.236 -18.785 -1.284 216 HD2 TYR 23 HD2 TYR 23 -5.244 -22.578 -1.716 217 HE1 TYR 23 HE1 TYR 23 -2.450 -19.463 0.963 218 HE2 TYR 23 HE2 TYR 23 -4.423 -23.263 0.521 219 HH TYR 23 HH TYR 23 -2.461 -21.099 2.571 220 H VAL 24 H VAL 24 -4.626 -19.182 -5.870 221 HA VAL 24 HA VAL 24 -7.093 -20.326 -7.050 222 HB VAL 24 HB VAL 24 -5.762 -17.638 -7.484 223 1HG1 VAL 24 1HG1 VAL 24 -7.200 -18.127 -9.393 224 2HG1 VAL 24 2HG1 VAL 24 -8.467 -18.783 -8.335 225 3HG1 VAL 24 3HG1 VAL 24 -8.107 -17.051 -8.324 226 1HG2 VAL 24 1HG2 VAL 24 -8.136 -18.449 -5.752 227 2HG2 VAL 24 2HG2 VAL 24 -6.559 -17.897 -5.152 228 3HG2 VAL 24 3HG2 VAL 24 -7.592 -16.786 -6.048 229 H LYS 25 H LYS 25 -3.719 -20.325 -7.677 230 HA LYS 25 HA LYS 25 -2.439 -21.021 -9.364 231 1HB LYS 25 1HB LYS 25 -3.022 -23.250 -10.196 232 2HB LYS 25 2HB LYS 25 -3.123 -23.082 -8.444 233 1HG LYS 25 1HG LYS 25 -5.573 -22.963 -8.531 234 2HG LYS 25 2HG LYS 25 -5.519 -22.989 -10.302 235 1HD LYS 25 1HD LYS 25 -4.238 -25.270 -9.990 236 2HD LYS 25 2HD LYS 25 -4.765 -25.161 -8.303 237 1HE LYS 25 1HE LYS 25 -6.382 -26.516 -9.490 238 2HE LYS 25 2HE LYS 25 -7.158 -24.959 -9.141 239 1HZ LYS 25 1HZ LYS 25 -6.650 -24.291 -11.388 240 2HZ LYS 25 2HZ LYS 25 -5.907 -25.725 -11.693 241 3HZ LYS 25 3HZ LYS 25 -7.528 -25.683 -11.397 242 H LEU 26 H LEU 26 -3.402 -18.841 -10.367 243 HA LEU 26 HA LEU 26 -3.932 -19.566 -13.179 244 1HB LEU 26 1HB LEU 26 -5.936 -18.630 -11.439 245 2HB LEU 26 2HB LEU 26 -5.483 -17.192 -12.319 246 HG LEU 26 HG LEU 26 -5.825 -19.513 -14.138 247 1HD1 LEU 26 1HD1 LEU 26 -7.364 -20.284 -12.403 248 2HD1 LEU 26 2HD1 LEU 26 -8.195 -18.713 -12.415 249 3HD1 LEU 26 3HD1 LEU 26 -8.238 -19.759 -13.852 250 1HD2 LEU 26 1HD2 LEU 26 -7.260 -16.838 -13.910 251 2HD2 LEU 26 2HD2 LEU 26 -5.788 -17.160 -14.862 252 3HD2 LEU 26 3HD2 LEU 26 -7.317 -17.948 -15.292 253 HA PRO 27 HA PRO 27 -0.560 -16.674 -13.447 254 1HB PRO 27 1HB PRO 27 -0.468 -16.239 -16.163 255 2HB PRO 27 2HB PRO 27 0.122 -17.727 -15.373 256 1HG PRO 27 1HG PRO 27 -2.573 -17.275 -16.679 257 2HG PRO 27 2HG PRO 27 -1.460 -18.654 -16.912 258 1HD PRO 27 1HD PRO 27 -3.562 -18.808 -15.221 259 2HD PRO 27 2HD PRO 27 -1.999 -19.554 -14.765 260 H VAL 28 H VAL 28 -3.793 -16.044 -14.773 261 HA VAL 28 HA VAL 28 -3.573 -13.325 -15.344 262 HB VAL 28 HB VAL 28 -5.882 -14.852 -14.224 263 1HG1 VAL 28 1HG1 VAL 28 -6.337 -12.519 -13.795 264 2HG1 VAL 28 2HG1 VAL 28 -5.780 -12.055 -15.418 265 3HG1 VAL 28 3HG1 VAL 28 -7.274 -12.991 -15.215 266 1HG2 VAL 28 1HG2 VAL 28 -5.221 -13.949 -17.071 267 2HG2 VAL 28 2HG2 VAL 28 -5.022 -15.609 -16.485 268 3HG2 VAL 28 3HG2 VAL 28 -6.637 -14.897 -16.577 269 H LEU 29 H LEU 29 -3.757 -14.880 -12.065 270 HA LEU 29 HA LEU 29 -4.294 -12.389 -10.714 271 1HB LEU 29 1HB LEU 29 -3.307 -15.156 -9.924 272 2HB LEU 29 2HB LEU 29 -3.009 -13.787 -8.894 273 HG LEU 29 HG LEU 29 -5.618 -13.305 -9.218 274 1HD1 LEU 29 1HD1 LEU 29 -5.961 -15.140 -10.848 275 2HD1 LEU 29 2HD1 LEU 29 -5.363 -16.318 -9.656 276 3HD1 LEU 29 3HD1 LEU 29 -6.868 -15.430 -9.353 277 1HD2 LEU 29 1HD2 LEU 29 -4.532 -15.458 -7.370 278 2HD2 LEU 29 2HD2 LEU 29 -4.506 -13.705 -7.073 279 3HD2 LEU 29 3HD2 LEU 29 -6.053 -14.561 -7.168 280 H ALA 30 H ALA 30 -1.342 -14.283 -11.482 281 HA ALA 30 HA ALA 30 0.428 -12.375 -10.443 282 1HB ALA 30 1HB ALA 30 1.299 -14.553 -11.080 283 2HB ALA 30 2HB ALA 30 0.907 -14.263 -12.791 284 3HB ALA 30 3HB ALA 30 2.159 -13.306 -11.985 285 H LYS 31 H LYS 31 -1.273 -12.369 -13.564 286 HA LYS 31 HA LYS 31 0.340 -10.096 -14.519 287 1HB LYS 31 1HB LYS 31 -2.017 -11.588 -15.630 288 2HB LYS 31 2HB LYS 31 -1.730 -9.926 -16.134 289 1HG LYS 31 1HG LYS 31 -0.708 -11.300 -17.726 290 2HG LYS 31 2HG LYS 31 0.562 -10.452 -16.862 291 1HD LYS 31 1HD LYS 31 -0.254 -13.259 -16.029 292 2HD LYS 31 2HD LYS 31 0.720 -13.050 -17.481 293 1HE LYS 31 1HE LYS 31 1.580 -12.077 -14.717 294 2HE LYS 31 2HE LYS 31 2.088 -13.577 -15.487 295 1HZ LYS 31 1HZ LYS 31 3.035 -12.261 -17.256 296 2HZ LYS 31 2HZ LYS 31 2.592 -10.865 -16.494 297 3HZ LYS 31 3HZ LYS 31 3.682 -11.871 -15.793 298 H ILE 32 H ILE 32 -2.624 -10.487 -12.607 299 HA ILE 32 HA ILE 32 -3.400 -7.701 -13.011 300 HB ILE 32 HB ILE 32 -4.205 -9.881 -11.044 301 1HG1 ILE 32 1HG1 ILE 32 -5.785 -8.405 -13.212 302 2HG1 ILE 32 2HG1 ILE 32 -4.947 -9.919 -13.512 303 1HG2 ILE 32 1HG2 ILE 32 -4.335 -7.733 -9.863 304 2HG2 ILE 32 2HG2 ILE 32 -5.144 -7.012 -11.251 305 3HG2 ILE 32 3HG2 ILE 32 -5.970 -8.249 -10.280 306 1HD1 ILE 32 1HD1 ILE 32 -6.303 -11.014 -11.718 307 2HD1 ILE 32 2HD1 ILE 32 -7.240 -9.510 -11.555 308 3HD1 ILE 32 3HD1 ILE 32 -7.251 -10.391 -13.085 309 H LEU 33 H LEU 33 -1.646 -9.627 -10.553 310 HA LEU 33 HA LEU 33 -1.342 -7.533 -8.678 311 1HB LEU 33 1HB LEU 33 -0.075 -8.950 -7.482 312 2HB LEU 33 2HB LEU 33 -1.094 -10.027 -8.464 313 HG LEU 33 HG LEU 33 0.860 -10.370 -9.927 314 1HD1 LEU 33 1HD1 LEU 33 2.661 -9.087 -9.704 315 2HD1 LEU 33 2HD1 LEU 33 2.062 -8.403 -8.171 316 3HD1 LEU 33 3HD1 LEU 33 2.987 -9.922 -8.179 317 1HD2 LEU 33 1HD2 LEU 33 1.238 -11.130 -7.019 318 2HD2 LEU 33 2HD2 LEU 33 0.082 -11.922 -8.120 319 3HD2 LEU 33 3HD2 LEU 33 1.823 -12.029 -8.433 320 H GLU 34 H GLU 34 0.679 -8.688 -11.451 321 HA GLU 34 HA GLU 34 2.907 -7.012 -11.134 322 1HB GLU 34 1HB GLU 34 2.581 -8.956 -12.782 323 2HB GLU 34 2HB GLU 34 1.713 -7.831 -13.806 324 1HG GLU 34 1HG GLU 34 4.070 -6.432 -13.206 325 2HG GLU 34 2HG GLU 34 4.617 -8.105 -13.300 326 H ASP 35 H ASP 35 0.007 -6.544 -13.168 327 HA ASP 35 HA ASP 35 0.768 -4.018 -14.191 328 1HB ASP 35 1HB ASP 35 -1.126 -5.451 -15.039 329 2HB ASP 35 2HB ASP 35 -2.099 -4.877 -13.670 330 H GLU 36 H GLU 36 -1.162 -4.832 -11.267 331 HA GLU 36 HA GLU 36 -1.612 -2.153 -10.412 332 1HB GLU 36 1HB GLU 36 -1.211 -4.692 -8.769 333 2HB GLU 36 2HB GLU 36 -1.876 -3.178 -8.151 334 1HG GLU 36 1HG GLU 36 -3.220 -4.631 -10.471 335 2HG GLU 36 2HG GLU 36 -3.521 -5.059 -8.784 336 H GLU 37 H GLU 37 1.186 -4.374 -9.873 337 HA GLU 37 HA GLU 37 2.544 -2.994 -7.976 338 1HB GLU 37 1HB GLU 37 2.945 -5.225 -9.486 339 2HB GLU 37 2HB GLU 37 4.149 -4.192 -10.242 340 1HG GLU 37 1HG GLU 37 3.938 -4.508 -7.234 341 2HG GLU 37 2HG GLU 37 4.625 -5.775 -8.241 342 H LYS 38 H LYS 38 2.543 -2.318 -11.489 343 HA LYS 38 HA LYS 38 4.546 -0.252 -11.320 344 1HB LYS 38 1HB LYS 38 3.734 -1.552 -13.391 345 2HB LYS 38 2HB LYS 38 2.271 -0.573 -13.327 346 1HG LYS 38 1HG LYS 38 3.654 0.493 -14.936 347 2HG LYS 38 2HG LYS 38 3.803 1.502 -13.492 348 1HD LYS 38 1HD LYS 38 5.957 0.206 -12.942 349 2HD LYS 38 2HD LYS 38 5.779 -0.595 -14.512 350 1HE LYS 38 1HE LYS 38 5.834 1.694 -15.597 351 2HE LYS 38 2HE LYS 38 6.097 2.402 -13.989 352 1HZ LYS 38 1HZ LYS 38 8.100 1.120 -13.818 353 2HZ LYS 38 2HZ LYS 38 7.871 0.482 -15.322 354 3HZ LYS 38 3HZ LYS 38 8.143 2.097 -15.142 355 H HIS 39 H HIS 39 0.982 -0.130 -11.106 356 HA HIS 39 HA HIS 39 0.859 2.772 -11.016 357 1HB HIS 39 1HB HIS 39 -1.009 0.534 -10.122 358 2HB HIS 39 2HB HIS 39 -1.313 2.225 -9.774 359 HD1 HIS 39 HD1 HIS 39 -3.550 1.748 -11.403 360 HD2 HIS 39 HD2 HIS 39 0.284 1.940 -13.173 361 HE1 HIS 39 HE1 HIS 39 -3.886 2.336 -13.875 362 HE2 HIS 39 HE2 HIS 39 -1.569 2.375 -14.948 363 H ILE 40 H ILE 40 1.073 0.234 -8.570 364 HA ILE 40 HA ILE 40 0.954 1.886 -6.261 365 HB ILE 40 HB ILE 40 2.211 -0.836 -6.763 366 1HG1 ILE 40 1HG1 ILE 40 -0.379 -0.157 -5.352 367 2HG1 ILE 40 2HG1 ILE 40 -0.389 -0.363 -7.073 368 1HG2 ILE 40 1HG2 ILE 40 3.182 0.134 -4.717 369 2HG2 ILE 40 2HG2 ILE 40 1.568 0.575 -4.135 370 3HG2 ILE 40 3HG2 ILE 40 2.048 -1.132 -4.277 371 1HD1 ILE 40 1HD1 ILE 40 0.426 -2.597 -6.967 372 2HD1 ILE 40 2HD1 ILE 40 0.605 -2.542 -5.218 373 3HD1 ILE 40 3HD1 ILE 40 -1.013 -2.449 -5.946 374 H GLU 41 H GLU 41 3.686 0.630 -8.158 375 HA GLU 41 HA GLU 41 5.834 1.773 -6.858 376 1HB GLU 41 1HB GLU 41 5.871 0.209 -8.891 377 2HB GLU 41 2HB GLU 41 5.604 1.655 -9.884 378 1HG GLU 41 1HG GLU 41 7.683 2.637 -8.772 379 2HG GLU 41 2HG GLU 41 7.945 1.029 -8.071 380 H TRP 42 H TRP 42 3.589 3.364 -9.249 381 HA TRP 42 HA TRP 42 4.994 5.738 -9.532 382 1HB TRP 42 1HB TRP 42 2.795 4.799 -10.597 383 2HB TRP 42 2HB TRP 42 1.999 5.708 -9.327 384 HD1 TRP 42 HD1 TRP 42 4.065 6.190 -12.465 385 HE1 TRP 42 HE1 TRP 42 3.956 8.682 -13.247 386 HE3 TRP 42 HE3 TRP 42 1.691 8.027 -8.435 387 HZ2 TRP 42 HZ2 TRP 42 2.937 11.183 -12.124 388 HZ3 TRP 42 HZ3 TRP 42 1.124 10.477 -8.253 389 HH2 TRP 42 HH2 TRP 42 1.781 12.043 -10.079 390 H LEU 43 H LEU 43 2.899 4.660 -6.895 391 HA LEU 43 HA LEU 43 3.003 7.211 -5.428 392 1HB LEU 43 1HB LEU 43 2.183 4.455 -4.412 393 2HB LEU 43 2HB LEU 43 2.117 5.983 -3.551 394 HG LEU 43 HG LEU 43 0.685 6.612 -5.846 395 1HD1 LEU 43 1HD1 LEU 43 0.720 4.190 -6.498 396 2HD1 LEU 43 2HD1 LEU 43 -0.082 3.770 -4.974 397 3HD1 LEU 43 3HD1 LEU 43 -0.919 4.768 -6.178 398 1HD2 LEU 43 1HD2 LEU 43 -0.277 5.437 -3.190 399 2HD2 LEU 43 2HD2 LEU 43 0.082 7.150 -3.480 400 3HD2 LEU 43 3HD2 LEU 43 -1.288 6.386 -4.300 401 H GLU 44 H GLU 44 4.617 4.009 -5.296 402 HA GLU 44 HA GLU 44 6.314 4.836 -3.050 403 1HB GLU 44 1HB GLU 44 6.598 2.361 -4.794 404 2HB GLU 44 2HB GLU 44 7.356 2.687 -3.236 405 1HG GLU 44 1HG GLU 44 4.996 2.895 -2.273 406 2HG GLU 44 2HG GLU 44 4.409 2.162 -3.770 407 H THR 45 H THR 45 6.452 6.437 -5.589 408 HA THR 45 HA THR 45 9.372 6.647 -5.523 409 HB THR 45 HB THR 45 8.611 5.054 -7.378 410 HG1 THR 45 HG1 THR 45 10.359 5.661 -8.530 411 1HG2 THR 45 1HG2 THR 45 6.814 6.367 -8.375 412 2HG2 THR 45 2HG2 THR 45 8.000 7.567 -8.939 413 3HG2 THR 45 3HG2 THR 45 8.049 5.893 -9.530 414 H ILE 46 H ILE 46 6.404 7.754 -7.070 415 HA ILE 46 HA ILE 46 5.539 9.757 -7.489 416 HB ILE 46 HB ILE 46 4.820 9.294 -5.260 417 1HG1 ILE 46 1HG1 ILE 46 4.167 11.499 -4.491 418 2HG1 ILE 46 2HG1 ILE 46 5.339 12.270 -5.567 419 1HG2 ILE 46 1HG2 ILE 46 6.848 9.135 -3.966 420 2HG2 ILE 46 2HG2 ILE 46 7.188 10.866 -4.186 421 3HG2 ILE 46 3HG2 ILE 46 5.782 10.336 -3.253 422 1HD1 ILE 46 1HD1 ILE 46 4.112 11.456 -7.531 423 2HD1 ILE 46 2HD1 ILE 46 3.067 10.453 -6.492 424 3HD1 ILE 46 3HD1 ILE 46 2.967 12.224 -6.423 425 H LEU 47 H LEU 47 7.389 9.928 -8.918 426 HA LEU 47 HA LEU 47 8.763 11.191 -10.126 427 1HB LEU 47 1HB LEU 47 7.528 13.244 -9.304 428 2HB LEU 47 2HB LEU 47 8.720 13.369 -8.002 429 HG LEU 47 HG LEU 47 10.541 13.470 -9.777 430 1HD1 LEU 47 1HD1 LEU 47 9.290 12.612 -11.736 431 2HD1 LEU 47 2HD1 LEU 47 8.129 13.951 -11.594 432 3HD1 LEU 47 3HD1 LEU 47 9.823 14.269 -12.021 433 1HD2 LEU 47 1HD2 LEU 47 8.447 15.678 -9.695 434 2HD2 LEU 47 2HD2 LEU 47 9.767 15.431 -8.529 435 3HD2 LEU 47 3HD2 LEU 47 10.142 15.859 -10.207 436 H GLY 48 H GLY 48 9.555 11.467 -6.646 437 1HA GLY 48 1HA GLY 48 11.403 10.081 -5.808 438 2HA GLY 48 2HA GLY 48 12.358 10.535 -7.228 439 1HN NH2 49 1HN NH2 49 12.023 11.204 -4.011 440 2HN NH2 49 2HN NH2 49 12.532 12.914 -3.996 441 1H ACE 0 H1 ACE 0 -13.755 -16.707 -0.162 442 2H ACE 0 H2 ACE 0 -13.725 -17.587 1.380 443 3H ACE 0 H3 ACE 0 -12.656 -18.087 0.048 444 H ASP 1 H ASP 1 -11.231 -17.790 2.162 445 HA ASP 1 HA ASP 1 -10.550 -15.317 3.210 446 1HB ASP 1 1HB ASP 1 -9.718 -17.446 4.120 447 2HB ASP 1 2HB ASP 1 -8.699 -17.685 2.686 448 H TYR 2 H TYR 2 -9.044 -16.917 0.367 449 HA TYR 2 HA TYR 2 -7.169 -15.097 -0.408 450 1HB TYR 2 1HB TYR 2 -9.118 -16.352 -2.358 451 2HB TYR 2 2HB TYR 2 -7.407 -16.029 -2.551 452 HD1 TYR 2 HD1 TYR 2 -9.355 -18.657 -2.734 453 HD2 TYR 2 HD2 TYR 2 -6.229 -17.285 -0.087 454 HE1 TYR 2 HE1 TYR 2 -9.074 -20.953 -1.862 455 HE2 TYR 2 HE2 TYR 2 -6.015 -19.557 0.829 456 HH TYR 2 HH TYR 2 -6.713 -21.757 0.684 457 H LEU 3 H LEU 3 -10.689 -14.927 -0.992 458 HA LEU 3 HA LEU 3 -10.423 -12.466 -2.467 459 1HB LEU 3 1HB LEU 3 -12.912 -13.878 -1.392 460 2HB LEU 3 2HB LEU 3 -12.937 -12.532 -2.531 461 HG LEU 3 HG LEU 3 -11.602 -15.210 -3.156 462 1HD1 LEU 3 1HD1 LEU 3 -13.988 -15.573 -2.719 463 2HD1 LEU 3 2HD1 LEU 3 -14.411 -14.263 -3.844 464 3HD1 LEU 3 3HD1 LEU 3 -13.629 -15.739 -4.447 465 1HD2 LEU 3 1HD2 LEU 3 -12.533 -12.911 -4.943 466 2HD2 LEU 3 2HD2 LEU 3 -10.842 -13.305 -4.564 467 3HD2 LEU 3 3HD2 LEU 3 -11.827 -14.438 -5.499 468 H ARG 4 H ARG 4 -11.350 -13.302 0.867 469 HA ARG 4 HA ARG 4 -11.995 -10.650 1.702 470 1HB ARG 4 1HB ARG 4 -10.356 -12.739 3.184 471 2HB ARG 4 2HB ARG 4 -10.991 -11.276 3.893 472 1HG ARG 4 1HG ARG 4 -12.830 -13.348 2.598 473 2HG ARG 4 2HG ARG 4 -12.252 -13.469 4.265 474 1HD ARG 4 1HD ARG 4 -13.145 -11.124 4.655 475 2HD ARG 4 2HD ARG 4 -14.003 -11.278 3.099 476 HE ARG 4 HE ARG 4 -14.644 -13.585 4.470 477 1HH1 ARG 4 1HH2 ARG 4 -15.009 -10.145 5.115 478 2HH1 ARG 4 2HH2 ARG 4 -16.236 -10.346 6.340 479 1HH2 ARG 4 1HH1 ARG 4 -16.224 -13.889 6.071 480 2HH2 ARG 4 2HH1 ARG 4 -16.962 -12.537 6.878 481 H GLU 5 H GLU 5 -8.931 -12.177 0.810 482 HA GLU 5 HA GLU 5 -7.301 -10.024 1.951 483 1HB GLU 5 1HB GLU 5 -6.565 -12.454 0.288 484 2HB GLU 5 2HB GLU 5 -5.412 -11.278 0.916 485 1HG GLU 5 1HG GLU 5 -5.956 -11.806 3.206 486 2HG GLU 5 2HG GLU 5 -7.334 -12.799 2.737 487 H LEU 6 H LEU 6 -8.204 -11.122 -1.335 488 HA LEU 6 HA LEU 6 -6.913 -8.648 -2.403 489 1HB LEU 6 1HB LEU 6 -7.531 -11.306 -3.603 490 2HB LEU 6 2HB LEU 6 -6.914 -9.921 -4.536 491 HG LEU 6 HG LEU 6 -5.414 -11.076 -2.129 492 1HD1 LEU 6 1HD1 LEU 6 -5.823 -12.673 -3.980 493 2HD1 LEU 6 2HD1 LEU 6 -4.884 -11.591 -5.027 494 3HD1 LEU 6 3HD1 LEU 6 -4.162 -12.267 -3.525 495 1HD2 LEU 6 1HD2 LEU 6 -4.713 -9.043 -4.267 496 2HD2 LEU 6 2HD2 LEU 6 -4.721 -8.792 -2.514 497 3HD2 LEU 6 3HD2 LEU 6 -3.520 -9.858 -3.233 498 H LEU 7 H LEU 7 -9.702 -8.737 -1.222 499 HA LEU 7 HA LEU 7 -10.939 -7.367 -3.453 500 1HB LEU 7 1HB LEU 7 -11.716 -9.850 -3.296 501 2HB LEU 7 2HB LEU 7 -12.613 -9.329 -1.858 502 HG LEU 7 HG LEU 7 -13.001 -8.266 -4.670 503 1HD1 LEU 7 1HD1 LEU 7 -13.736 -10.571 -4.419 504 2HD1 LEU 7 2HD1 LEU 7 -14.529 -10.212 -2.870 505 3HD1 LEU 7 3HD1 LEU 7 -15.182 -9.543 -4.364 506 1HD2 LEU 7 1HD2 LEU 7 -14.474 -7.670 -2.055 507 2HD2 LEU 7 2HD2 LEU 7 -13.614 -6.502 -3.092 508 3HD2 LEU 7 3HD2 LEU 7 -15.090 -7.268 -3.671 509 H LYS 8 H LYS 8 -11.599 -8.437 -0.064 510 HA LYS 8 HA LYS 8 -12.938 -6.059 0.512 511 1HB LYS 8 1HB LYS 8 -12.704 -8.419 1.826 512 2HB LYS 8 2HB LYS 8 -11.570 -7.461 2.792 513 1HG LYS 8 1HG LYS 8 -13.438 -5.719 2.992 514 2HG LYS 8 2HG LYS 8 -14.505 -6.901 2.199 515 1HD LYS 8 1HD LYS 8 -13.760 -8.554 4.058 516 2HD LYS 8 2HD LYS 8 -13.082 -7.148 4.889 517 1HE LYS 8 1HE LYS 8 -16.006 -7.617 4.114 518 2HE LYS 8 2HE LYS 8 -15.329 -7.592 5.753 519 1HZ LYS 8 1HZ LYS 8 -14.800 -5.275 5.418 520 2HZ LYS 8 2HZ LYS 8 -15.460 -5.309 3.909 521 3HZ LYS 8 3HZ LYS 8 -16.414 -5.550 5.227 522 H LEU 9 H LEU 9 -9.593 -7.100 1.185 523 HA LEU 9 HA LEU 9 -8.852 -4.558 2.328 524 1HB LEU 9 1HB LEU 9 -7.297 -6.991 1.580 525 2HB LEU 9 2HB LEU 9 -6.503 -5.532 2.157 526 HG LEU 9 HG LEU 9 -8.792 -6.671 3.780 527 1HD1 LEU 9 1HD1 LEU 9 -7.582 -8.644 3.511 528 2HD1 LEU 9 2HD1 LEU 9 -5.997 -7.836 3.600 529 3HD1 LEU 9 3HD1 LEU 9 -7.014 -8.012 5.047 530 1HD2 LEU 9 1HD2 LEU 9 -6.201 -5.204 4.460 531 2HD2 LEU 9 2HD2 LEU 9 -7.864 -4.563 4.544 532 3HD2 LEU 9 3HD2 LEU 9 -7.350 -5.824 5.659 533 H GLU 10 H GLU 10 -8.951 -5.736 -1.053 534 HA GLU 10 HA GLU 10 -7.444 -3.550 -2.146 535 1HB GLU 10 1HB GLU 10 -9.728 -5.262 -3.212 536 2HB GLU 10 2HB GLU 10 -8.895 -4.015 -4.101 537 1HG GLU 10 1HG GLU 10 -7.448 -6.446 -2.971 538 2HG GLU 10 2HG GLU 10 -8.163 -6.401 -4.582 539 H LEU 11 H LEU 11 -10.930 -4.050 -1.341 540 HA LEU 11 HA LEU 11 -11.879 -1.800 -2.751 541 1HB LEU 11 1HB LEU 11 -13.282 -3.679 -1.782 542 2HB LEU 11 2HB LEU 11 -12.985 -3.017 -0.174 543 HG LEU 11 HG LEU 11 -14.084 -0.818 -1.100 544 1HD1 LEU 11 1HD1 LEU 11 -14.094 -1.515 -3.500 545 2HD1 LEU 11 2HD1 LEU 11 -15.170 -2.864 -3.086 546 3HD1 LEU 11 3HD1 LEU 11 -15.724 -1.190 -2.890 547 1HD2 LEU 11 1HD2 LEU 11 -15.712 -3.339 -0.627 548 2HD2 LEU 11 2HD2 LEU 11 -15.087 -2.233 0.617 549 3HD2 LEU 11 3HD2 LEU 11 -16.316 -1.670 -0.528 550 H GLN 12 H GLN 12 -10.954 -2.030 0.667 551 HA GLN 12 HA GLN 12 -11.516 0.604 1.480 552 1HB GLN 12 1HB GLN 12 -9.602 0.290 3.105 553 2HB GLN 12 2HB GLN 12 -10.870 -0.949 3.165 554 1HG GLN 12 1HG GLN 12 -9.561 -2.526 1.998 555 2HG GLN 12 2HG GLN 12 -8.398 -1.313 1.457 556 1HE2 GLN 12 2HE2 GLN 12 -6.816 -2.826 2.193 557 2HE2 GLN 12 1HE2 GLN 12 -6.352 -2.807 3.898 558 H LEU 13 H LEU 13 -8.908 -0.472 -0.689 559 HA LEU 13 HA LEU 13 -7.234 1.845 -0.250 560 1HB LEU 13 1HB LEU 13 -7.171 -0.013 -2.655 561 2HB LEU 13 2HB LEU 13 -5.958 1.116 -2.076 562 HG LEU 13 HG LEU 13 -6.742 -1.576 -0.972 563 1HD1 LEU 13 1HD1 LEU 13 -4.970 -1.451 -2.650 564 2HD1 LEU 13 2HD1 LEU 13 -4.131 -0.194 -1.710 565 3HD1 LEU 13 3HD1 LEU 13 -4.220 -1.832 -1.077 566 1HD2 LEU 13 1HD2 LEU 13 -4.956 0.351 0.522 567 2HD2 LEU 13 2HD2 LEU 13 -6.611 0.011 1.041 568 3HD2 LEU 13 3HD2 LEU 13 -5.427 -1.292 0.994 569 H ILE 14 H ILE 14 -9.503 0.714 -2.821 570 HA ILE 14 HA ILE 14 -9.380 3.129 -4.397 571 HB ILE 14 HB ILE 14 -11.346 0.816 -4.064 572 1HG1 ILE 14 1HG1 ILE 14 -10.727 0.312 -6.340 573 2HG1 ILE 14 2HG1 ILE 14 -9.865 1.841 -6.530 574 1HG2 ILE 14 1HG2 ILE 14 -12.835 2.710 -4.540 575 2HG2 ILE 14 2HG2 ILE 14 -11.772 3.252 -5.860 576 3HG2 ILE 14 3HG2 ILE 14 -12.651 1.722 -5.988 577 1HD1 ILE 14 1HD1 ILE 14 -8.097 1.102 -5.024 578 2HD1 ILE 14 2HD1 ILE 14 -9.011 -0.381 -4.640 579 3HD1 ILE 14 3HD1 ILE 14 -8.372 -0.095 -6.272 580 H LYS 15 H LYS 15 -11.272 2.259 -1.565 581 HA LYS 15 HA LYS 15 -12.838 4.652 -1.412 582 1HB LYS 15 1HB LYS 15 -12.547 2.261 0.066 583 2HB LYS 15 2HB LYS 15 -11.917 3.473 1.149 584 1HG LYS 15 1HG LYS 15 -14.170 3.294 1.699 585 2HG LYS 15 2HG LYS 15 -14.136 4.765 0.711 586 1HD LYS 15 1HD LYS 15 -14.942 3.478 -1.249 587 2HD LYS 15 2HD LYS 15 -14.780 1.958 -0.350 588 1HE LYS 15 1HE LYS 15 -16.491 2.765 1.295 589 2HE LYS 15 2HE LYS 15 -16.719 4.223 0.309 590 1HZ LYS 15 1HZ LYS 15 -17.400 2.801 -1.493 591 2HZ LYS 15 2HZ LYS 15 -17.167 1.454 -0.573 592 3HZ LYS 15 3HZ LYS 15 -18.338 2.536 -0.163 593 H GLN 16 H GLN 16 -9.671 3.752 0.058 594 HA GLN 16 HA GLN 16 -9.407 6.319 1.376 595 1HB GLN 16 1HB GLN 16 -7.513 3.983 0.897 596 2HB GLN 16 2HB GLN 16 -6.999 5.459 1.722 597 1HG GLN 16 1HG GLN 16 -9.394 3.812 2.649 598 2HG GLN 16 2HG GLN 16 -7.766 3.621 3.287 599 1HE2 GLN 16 2HE2 GLN 16 -10.688 5.414 3.536 600 2HE2 GLN 16 1HE2 GLN 16 -10.085 6.701 4.559 601 H TYR 17 H TYR 17 -8.419 5.101 -1.719 602 HA TYR 17 HA TYR 17 -6.581 7.151 -2.496 603 1HB TYR 17 1HB TYR 17 -8.348 5.097 -3.871 604 2HB TYR 17 2HB TYR 17 -7.648 6.359 -4.819 605 HD1 TYR 17 HD1 TYR 17 -7.163 3.076 -4.183 606 HD2 TYR 17 HD2 TYR 17 -5.041 6.807 -4.488 607 HE1 TYR 17 HE1 TYR 17 -5.225 1.881 -5.039 608 HE2 TYR 17 HE2 TYR 17 -3.103 5.596 -5.435 609 HH TYR 17 HH TYR 17 -2.972 2.046 -5.576 610 H ARG 18 H ARG 18 -10.142 6.833 -2.487 611 HA ARG 18 HA ARG 18 -10.482 9.316 -3.995 612 1HB ARG 18 1HB ARG 18 -12.415 7.457 -2.584 613 2HB ARG 18 2HB ARG 18 -12.886 9.092 -3.072 614 1HG ARG 18 1HG ARG 18 -12.148 8.639 -5.391 615 2HG ARG 18 2HG ARG 18 -11.763 6.967 -4.952 616 1HD ARG 18 1HD ARG 18 -14.531 8.204 -4.558 617 2HD ARG 18 2HD ARG 18 -14.020 7.440 -6.080 618 HE ARG 18 HE ARG 18 -13.448 5.612 -4.028 619 1HH1 ARG 18 1HH2 ARG 18 -16.248 7.150 -5.508 620 2HH1 ARG 18 2HH2 ARG 18 -17.253 5.728 -5.497 621 1HH2 ARG 18 1HH1 ARG 18 -14.716 3.704 -4.035 622 2HH2 ARG 18 2HH1 ARG 18 -16.351 3.708 -4.637 623 H GLU 19 H GLU 19 -10.649 8.297 -0.643 624 HA GLU 19 HA GLU 19 -11.178 10.815 0.528 625 1HB GLU 19 1HB GLU 19 -10.982 8.538 1.696 626 2HB GLU 19 2HB GLU 19 -9.233 8.838 1.734 627 1HG GLU 19 1HG GLU 19 -9.627 10.961 2.949 628 2HG GLU 19 2HG GLU 19 -11.374 10.659 2.910 629 H ALA 20 H ALA 20 -8.076 9.412 -0.619 630 HA ALA 20 HA ALA 20 -6.662 11.976 -0.003 631 1HB ALA 20 1HB ALA 20 -5.635 9.944 0.916 632 2HB ALA 20 2HB ALA 20 -5.810 9.132 -0.635 633 3HB ALA 20 3HB ALA 20 -4.635 10.442 -0.455 634 H LEU 21 H LEU 21 -8.593 11.433 -2.415 635 HA LEU 21 HA LEU 21 -6.717 11.814 -4.664 636 1HB LEU 21 1HB LEU 21 -8.665 10.522 -5.134 637 2HB LEU 21 2HB LEU 21 -9.733 11.715 -4.385 638 HG LEU 21 HG LEU 21 -9.315 13.301 -6.220 639 1HD1 LEU 21 1HD1 LEU 21 -7.041 12.632 -6.901 640 2HD1 LEU 21 2HD1 LEU 21 -7.640 11.028 -7.365 641 3HD1 LEU 21 3HD1 LEU 21 -8.151 12.474 -8.267 642 1HD2 LEU 21 1HD2 LEU 21 -10.180 10.509 -7.061 643 2HD2 LEU 21 2HD2 LEU 21 -11.195 11.726 -6.267 644 3HD2 LEU 21 3HD2 LEU 21 -10.580 12.031 -7.899 645 H GLU 22 H GLU 22 -9.398 13.604 -3.201 646 HA GLU 22 HA GLU 22 -9.010 15.930 -4.830 647 1HB GLU 22 1HB GLU 22 -10.588 15.479 -2.253 648 2HB GLU 22 2HB GLU 22 -10.675 16.965 -3.202 649 1HG GLU 22 1HG GLU 22 -11.283 14.279 -4.512 650 2HG GLU 22 2HG GLU 22 -12.491 15.134 -3.552 651 H TYR 23 H TYR 23 -8.047 15.065 -1.526 652 HA TYR 23 HA TYR 23 -6.849 17.573 -0.879 653 1HB TYR 23 1HB TYR 23 -6.732 14.722 0.094 654 2HB TYR 23 2HB TYR 23 -5.495 15.823 0.629 655 HD1 TYR 23 HD1 TYR 23 -6.316 18.165 1.557 656 HD2 TYR 23 HD2 TYR 23 -8.771 14.628 1.332 657 HE1 TYR 23 HE1 TYR 23 -7.853 19.117 3.258 658 HE2 TYR 23 HE2 TYR 23 -10.284 15.567 3.040 659 HH TYR 23 HH TYR 23 -10.726 17.347 4.424 660 H VAL 24 H VAL 24 -5.730 14.834 -2.855 661 HA VAL 24 HA VAL 24 -2.957 15.909 -2.787 662 HB VAL 24 HB VAL 24 -4.112 13.383 -3.968 663 1HG1 VAL 24 1HG1 VAL 24 -2.149 14.003 -5.294 664 2HG1 VAL 24 2HG1 VAL 24 -1.214 14.330 -3.821 665 3HG1 VAL 24 3HG1 VAL 24 -1.731 12.675 -4.213 666 1HG2 VAL 24 1HG2 VAL 24 -2.258 13.907 -1.580 667 2HG2 VAL 24 2HG2 VAL 24 -3.976 13.516 -1.439 668 3HG2 VAL 24 3HG2 VAL 24 -2.855 12.323 -2.111 669 H LYS 25 H LYS 25 -5.751 16.056 -4.888 670 HA LYS 25 HA LYS 25 -6.115 17.244 -6.790 671 1HB LYS 25 1HB LYS 25 -3.719 18.749 -5.683 672 2HB LYS 25 2HB LYS 25 -4.472 19.242 -7.183 673 1HG LYS 25 1HG LYS 25 -6.401 18.779 -5.000 674 2HG LYS 25 2HG LYS 25 -5.257 20.059 -4.652 675 1HD LYS 25 1HD LYS 25 -6.794 19.913 -7.287 676 2HD LYS 25 2HD LYS 25 -7.466 20.688 -5.845 677 1HE LYS 25 1HE LYS 25 -5.615 22.275 -5.726 678 2HE LYS 25 2HE LYS 25 -4.784 21.490 -7.077 679 1HZ LYS 25 1HZ LYS 25 -6.588 22.105 -8.491 680 2HZ LYS 25 2HZ LYS 25 -7.399 22.810 -7.240 681 3HZ LYS 25 3HZ LYS 25 -5.965 23.438 -7.753 682 H LEU 26 H LEU 26 -4.316 14.810 -6.991 683 HA LEU 26 HA LEU 26 -3.168 15.426 -9.693 684 1HB LEU 26 1HB LEU 26 -2.223 13.768 -7.511 685 2HB LEU 26 2HB LEU 26 -2.370 12.832 -8.990 686 HG LEU 26 HG LEU 26 -0.901 15.482 -8.908 687 1HD1 LEU 26 1HD1 LEU 26 0.179 14.000 -7.267 688 2HD1 LEU 26 2HD1 LEU 26 0.175 12.663 -8.429 689 3HD1 LEU 26 3HD1 LEU 26 1.190 14.087 -8.719 690 1HD2 LEU 26 1HD2 LEU 26 -0.464 13.074 -10.747 691 2HD2 LEU 26 2HD2 LEU 26 -1.519 14.424 -11.203 692 3HD2 LEU 26 3HD2 LEU 26 0.212 14.682 -10.921 693 HA PRO 27 HA PRO 27 -6.997 13.096 -10.709 694 1HB PRO 27 1HB PRO 27 -6.784 13.178 -13.453 695 2HB PRO 27 2HB PRO 27 -7.461 14.496 -12.459 696 1HG PRO 27 1HG PRO 27 -4.649 14.256 -13.539 697 2HG PRO 27 2HG PRO 27 -5.724 15.682 -13.588 698 1HD PRO 27 1HD PRO 27 -3.796 15.429 -11.725 699 2HD PRO 27 2HD PRO 27 -5.378 16.119 -11.262 700 H VAL 28 H VAL 28 -3.637 12.597 -11.739 701 HA VAL 28 HA VAL 28 -3.636 10.022 -12.715 702 HB VAL 28 HB VAL 28 -1.760 11.298 -10.777 703 1HG1 VAL 28 1HG1 VAL 28 -1.372 8.950 -10.487 704 2HG1 VAL 28 2HG1 VAL 28 -1.458 8.652 -12.241 705 3HG1 VAL 28 3HG1 VAL 28 -0.095 9.535 -11.543 706 1HG2 VAL 28 1HG2 VAL 28 -1.426 10.727 -13.764 707 2HG2 VAL 28 2HG2 VAL 28 -1.779 12.333 -13.080 708 3HG2 VAL 28 3HG2 VAL 28 -0.244 11.526 -12.729 709 H LEU 29 H LEU 29 -4.259 10.948 -9.239 710 HA LEU 29 HA LEU 29 -3.975 8.269 -8.298 711 1HB LEU 29 1HB LEU 29 -5.121 10.878 -7.254 712 2HB LEU 29 2HB LEU 29 -5.633 9.370 -6.540 713 HG LEU 29 HG LEU 29 -3.173 8.739 -6.284 714 1HD1 LEU 29 1HD1 LEU 29 -2.201 10.432 -7.816 715 2HD1 LEU 29 2HD1 LEU 29 -2.831 11.719 -6.758 716 3HD1 LEU 29 3HD1 LEU 29 -1.570 10.614 -6.171 717 1HD2 LEU 29 1HD2 LEU 29 -4.612 9.439 -4.398 718 2HD2 LEU 29 2HD2 LEU 29 -2.959 10.042 -4.195 719 3HD2 LEU 29 3HD2 LEU 29 -4.241 11.139 -4.749 720 H ALA 30 H ALA 30 -6.809 10.214 -9.377 721 HA ALA 30 HA ALA 30 -8.699 8.116 -8.840 722 1HB ALA 30 1HB ALA 30 -9.358 10.491 -9.236 723 2HB ALA 30 2HB ALA 30 -8.846 10.357 -10.928 724 3HB ALA 30 3HB ALA 30 -10.200 9.378 -10.329 725 H LYS 31 H LYS 31 -6.554 8.981 -11.601 726 HA LYS 31 HA LYS 31 -7.832 7.176 -13.427 727 1HB LYS 31 1HB LYS 31 -6.085 9.226 -13.780 728 2HB LYS 31 2HB LYS 31 -4.919 7.903 -13.750 729 1HG LYS 31 1HG LYS 31 -5.448 8.212 -16.023 730 2HG LYS 31 2HG LYS 31 -6.387 6.780 -15.562 731 1HD LYS 31 1HD LYS 31 -8.425 8.204 -15.305 732 2HD LYS 31 2HD LYS 31 -7.461 9.653 -15.646 733 1HE LYS 31 1HE LYS 31 -6.947 8.744 -17.922 734 2HE LYS 31 2HE LYS 31 -7.958 7.329 -17.565 735 1HZ LYS 31 1HZ LYS 31 -9.816 8.798 -17.298 736 2HZ LYS 31 2HZ LYS 31 -8.879 10.117 -17.616 737 3HZ LYS 31 3HZ LYS 31 -9.142 8.991 -18.791 738 H ILE 32 H ILE 32 -5.085 6.870 -11.281 739 HA ILE 32 HA ILE 32 -4.201 4.241 -12.022 740 HB ILE 32 HB ILE 32 -3.949 6.014 -9.565 741 1HG1 ILE 32 1HG1 ILE 32 -1.841 4.701 -11.337 742 2HG1 ILE 32 2HG1 ILE 32 -2.513 6.312 -11.615 743 1HG2 ILE 32 1HG2 ILE 32 -4.209 3.938 -8.472 744 2HG2 ILE 32 2HG2 ILE 32 -3.310 3.065 -9.716 745 3HG2 ILE 32 3HG2 ILE 32 -2.473 4.141 -8.581 746 1HD1 ILE 32 1HD1 ILE 32 -1.739 6.962 -9.287 747 2HD1 ILE 32 2HD1 ILE 32 -0.839 5.431 -9.227 748 3HD1 ILE 32 3HD1 ILE 32 -0.449 6.625 -10.464 749 H LEU 33 H LEU 33 -6.456 5.600 -9.558 750 HA LEU 33 HA LEU 33 -6.836 3.049 -8.524 751 1HB LEU 33 1HB LEU 33 -8.170 4.062 -6.866 752 2HB LEU 33 2HB LEU 33 -7.095 5.349 -7.409 753 HG LEU 33 HG LEU 33 -8.964 6.058 -8.932 754 1HD1 LEU 33 1HD1 LEU 33 -10.714 4.708 -9.156 755 2HD1 LEU 33 2HD1 LEU 33 -10.298 3.786 -7.699 756 3HD1 LEU 33 3HD1 LEU 33 -11.226 5.300 -7.578 757 1HD2 LEU 33 1HD2 LEU 33 -9.448 6.145 -5.963 758 2HD2 LEU 33 2HD2 LEU 33 -8.252 7.154 -6.830 759 3HD2 LEU 33 3HD2 LEU 33 -9.985 7.356 -7.151 760 H GLU 34 H GLU 34 -8.556 4.851 -10.994 761 HA GLU 34 HA GLU 34 -10.893 3.302 -11.213 762 1HB GLU 34 1HB GLU 34 -10.181 5.477 -12.463 763 2HB GLU 34 2HB GLU 34 -9.211 4.477 -13.508 764 1HG GLU 34 1HG GLU 34 -11.270 3.214 -14.198 765 2HG GLU 34 2HG GLU 34 -12.236 4.245 -13.130 766 H ASP 35 H ASP 35 -7.727 2.940 -12.715 767 HA ASP 35 HA ASP 35 -8.198 0.521 -14.132 768 1HB ASP 35 1HB ASP 35 -6.124 2.229 -13.989 769 2HB ASP 35 2HB ASP 35 -5.500 0.975 -12.898 770 H GLU 36 H GLU 36 -6.832 1.080 -10.855 771 HA GLU 36 HA GLU 36 -6.553 -1.603 -10.089 772 1HB GLU 36 1HB GLU 36 -7.347 0.685 -8.265 773 2HB GLU 36 2HB GLU 36 -6.683 -0.876 -7.799 774 1HG GLU 36 1HG GLU 36 -4.904 0.374 -9.764 775 2HG GLU 36 2HG GLU 36 -5.268 1.540 -8.495 776 H GLU 37 H GLU 37 -9.486 0.495 -9.856 777 HA GLU 37 HA GLU 37 -11.172 -1.263 -8.563 778 1HB GLU 37 1HB GLU 37 -11.286 1.280 -9.641 779 2HB GLU 37 2HB GLU 37 -12.270 0.445 -10.822 780 1HG GLU 37 1HG GLU 37 -12.656 0.222 -7.802 781 2HG GLU 37 2HG GLU 37 -13.275 1.555 -8.775 782 H LYS 38 H LYS 38 -10.449 -1.076 -12.076 783 HA LYS 38 HA LYS 38 -12.180 -3.246 -12.822 784 1HB LYS 38 1HB LYS 38 -11.064 -1.529 -14.350 785 2HB LYS 38 2HB LYS 38 -9.561 -2.442 -14.142 786 1HG LYS 38 1HG LYS 38 -10.857 -4.515 -14.951 787 2HG LYS 38 2HG LYS 38 -12.178 -3.407 -15.359 788 1HD LYS 38 1HD LYS 38 -10.616 -2.166 -16.885 789 2HD LYS 38 2HD LYS 38 -9.294 -3.233 -16.389 790 1HE LYS 38 1HE LYS 38 -10.157 -3.982 -18.546 791 2HE LYS 38 2HE LYS 38 -10.502 -5.202 -17.309 792 1HZ LYS 38 1HZ LYS 38 -12.731 -4.350 -17.177 793 2HZ LYS 38 2HZ LYS 38 -12.407 -3.200 -18.310 794 3HZ LYS 38 3HZ LYS 38 -12.383 -4.796 -18.722 795 H HIS 39 H HIS 39 -8.699 -3.176 -11.939 796 HA HIS 39 HA HIS 39 -8.193 -5.942 -12.310 797 1HB HIS 39 1HB HIS 39 -6.997 -3.840 -10.476 798 2HB HIS 39 2HB HIS 39 -6.442 -5.487 -10.435 799 HD1 HIS 39 HD1 HIS 39 -5.926 -6.380 -13.221 800 HD2 HIS 39 HD2 HIS 39 -5.593 -2.330 -12.108 801 HE1 HIS 39 HE1 HIS 39 -4.429 -5.263 -14.969 802 HE2 HIS 39 HE2 HIS 39 -4.223 -2.788 -14.261 803 H ILE 40 H ILE 40 -9.538 -4.246 -9.513 804 HA ILE 40 HA ILE 40 -9.626 -6.583 -7.805 805 HB ILE 40 HB ILE 40 -11.075 -3.909 -7.617 806 1HG1 ILE 40 1HG1 ILE 40 -8.628 -4.773 -6.070 807 2HG1 ILE 40 2HG1 ILE 40 -8.390 -4.051 -7.613 808 1HG2 ILE 40 1HG2 ILE 40 -12.115 -5.658 -6.144 809 2HG2 ILE 40 2HG2 ILE 40 -10.515 -6.091 -5.522 810 3HG2 ILE 40 3HG2 ILE 40 -11.215 -4.511 -5.154 811 1HD1 ILE 40 1HD1 ILE 40 -9.566 -2.027 -7.033 812 2HD1 ILE 40 2HD1 ILE 40 -9.988 -2.646 -5.438 813 3HD1 ILE 40 3HD1 ILE 40 -8.281 -2.366 -5.857 814 H GLU 41 H GLU 41 -11.837 -4.903 -10.047 815 HA GLU 41 HA GLU 41 -14.163 -6.288 -9.426 816 1HB GLU 41 1HB GLU 41 -13.884 -4.297 -11.041 817 2HB GLU 41 2HB GLU 41 -13.363 -5.482 -12.251 818 1HG GLU 41 1HG GLU 41 -15.744 -6.569 -11.253 819 2HG GLU 41 2HG GLU 41 -16.047 -4.832 -11.235 820 H TRP 42 H TRP 42 -11.402 -7.225 -11.575 821 HA TRP 42 HA TRP 42 -12.453 -9.529 -12.641 822 1HB TRP 42 1HB TRP 42 -10.141 -8.467 -12.937 823 2HB TRP 42 2HB TRP 42 -9.653 -9.343 -11.493 824 HD1 TRP 42 HD1 TRP 42 -11.149 -10.029 -14.901 825 HE1 TRP 42 HE1 TRP 42 -10.744 -12.529 -15.579 826 HE3 TRP 42 HE3 TRP 42 -9.002 -11.573 -10.643 827 HZ2 TRP 42 HZ2 TRP 42 -9.603 -14.889 -14.311 828 HZ3 TRP 42 HZ3 TRP 42 -8.343 -13.963 -10.295 829 HH2 TRP 42 HH2 TRP 42 -8.612 -15.613 -12.138 830 H LEU 43 H LEU 43 -11.079 -9.067 -9.386 831 HA LEU 43 HA LEU 43 -11.300 -11.893 -8.668 832 1HB LEU 43 1HB LEU 43 -10.987 -9.432 -6.896 833 2HB LEU 43 2HB LEU 43 -11.099 -11.088 -6.327 834 HG LEU 43 HG LEU 43 -9.111 -11.275 -8.294 835 1HD1 LEU 43 1HD1 LEU 43 -8.924 -8.837 -8.433 836 2HD1 LEU 43 2HD1 LEU 43 -8.694 -8.713 -6.683 837 3HD1 LEU 43 3HD1 LEU 43 -7.482 -9.534 -7.676 838 1HD2 LEU 43 1HD2 LEU 43 -8.984 -11.006 -5.284 839 2HD2 LEU 43 2HD2 LEU 43 -9.067 -12.495 -6.228 840 3HD2 LEU 43 3HD2 LEU 43 -7.599 -11.501 -6.284 841 H GLU 44 H GLU 44 -13.409 -9.016 -8.211 842 HA GLU 44 HA GLU 44 -15.060 -10.545 -6.473 843 1HB GLU 44 1HB GLU 44 -16.333 -8.634 -6.083 844 2HB GLU 44 2HB GLU 44 -14.719 -7.999 -6.474 845 1HG GLU 44 1HG GLU 44 -15.611 -7.790 -8.865 846 2HG GLU 44 2HG GLU 44 -17.201 -8.157 -8.208 847 H THR 45 H THR 45 -14.910 -10.551 -9.702 848 HA THR 45 HA THR 45 -17.737 -11.361 -10.232 849 HB THR 45 HB THR 45 -16.488 -9.266 -11.237 850 HG1 THR 45 HG1 THR 45 -17.930 -9.330 -12.898 851 1HG2 THR 45 1HG2 THR 45 -14.595 -10.465 -12.284 852 2HG2 THR 45 2HG2 THR 45 -15.745 -11.285 -13.367 853 3HG2 THR 45 3HG2 THR 45 -15.555 -9.527 -13.425 854 H ILE 46 H ILE 46 -14.371 -11.998 -10.753 855 HA ILE 46 HA ILE 46 -13.188 -13.691 -11.717 856 HB ILE 46 HB ILE 46 -13.158 -13.966 -9.425 857 1HG1 ILE 46 1HG1 ILE 46 -12.723 -16.251 -8.984 858 2HG1 ILE 46 2HG1 ILE 46 -13.607 -16.800 -10.402 859 1HG2 ILE 46 1HG2 ILE 46 -15.401 -13.787 -8.754 860 2HG2 ILE 46 2HG2 ILE 46 -15.850 -15.302 -9.569 861 3HG2 ILE 46 3HG2 ILE 46 -14.797 -15.308 -8.125 862 1HD1 ILE 46 1HD1 ILE 46 -11.989 -15.644 -11.876 863 2HD1 ILE 46 2HD1 ILE 46 -11.203 -14.917 -10.454 864 3HD1 ILE 46 3HD1 ILE 46 -11.112 -16.671 -10.726 865 H LEU 47 H LEU 47 -14.960 -13.222 -13.509 866 HA LEU 47 HA LEU 47 -16.665 -15.376 -14.238 867 1HB LEU 47 1HB LEU 47 -16.795 -12.938 -14.939 868 2HB LEU 47 2HB LEU 47 -15.466 -13.245 -16.054 869 HG LEU 47 HG LEU 47 -17.379 -15.308 -16.561 870 1HD1 LEU 47 1HD1 LEU 47 -19.025 -13.986 -15.263 871 2HD1 LEU 47 2HD1 LEU 47 -18.736 -12.589 -16.324 872 3HD1 LEU 47 3HD1 LEU 47 -19.454 -14.073 -16.983 873 1HD2 LEU 47 1HD2 LEU 47 -16.863 -12.709 -18.065 874 2HD2 LEU 47 2HD2 LEU 47 -15.950 -14.226 -18.244 875 3HD2 LEU 47 3HD2 LEU 47 -17.657 -14.158 -18.721 876 H GLY 48 H GLY 48 -13.354 -14.448 -15.295 877 1HA GLY 48 1HA GLY 48 -12.318 -16.962 -15.767 878 2HA GLY 48 2HA GLY 48 -13.138 -16.514 -17.283 879 1HN NH2 49 1HN NH2 49 -10.526 -16.792 -17.638 880 2HN NH2 49 2HN NH2 49 -9.686 -15.219 -17.691 Start of MODEL 2 1 1H ACE 0 H1 ACE 0 -2.412 4.608 5.058 2 2H ACE 0 H2 ACE 0 -1.093 3.709 5.839 3 3H ACE 0 H3 ACE 0 -2.745 3.050 5.846 4 H ASP 1 H ASP 1 -1.209 1.214 4.969 5 HA ASP 1 HA ASP 1 -0.393 1.533 2.189 6 1HB ASP 1 1HB ASP 1 0.743 0.209 4.091 7 2HB ASP 1 2HB ASP 1 -0.404 -1.078 3.726 8 H TYR 2 H TYR 2 -3.271 0.633 3.679 9 HA TYR 2 HA TYR 2 -4.683 -1.313 2.788 10 1HB TYR 2 1HB TYR 2 -6.571 0.075 2.688 11 2HB TYR 2 2HB TYR 2 -5.509 0.602 3.960 12 HD1 TYR 2 HD1 TYR 2 -7.019 1.564 0.739 13 HD2 TYR 2 HD2 TYR 2 -4.473 2.780 3.984 14 HE1 TYR 2 HE1 TYR 2 -7.006 3.902 -0.130 15 HE2 TYR 2 HE2 TYR 2 -4.368 5.070 3.056 16 HH TYR 2 HH TYR 2 -5.004 6.457 1.329 17 H LEU 3 H LEU 3 -4.148 1.349 0.464 18 HA LEU 3 HA LEU 3 -5.383 -0.087 -1.645 19 1HB LEU 3 1HB LEU 3 -3.564 2.313 -1.456 20 2HB LEU 3 2HB LEU 3 -3.583 1.529 -3.033 21 HG LEU 3 HG LEU 3 -6.176 2.305 -1.679 22 1HD1 LEU 3 1HD1 LEU 3 -4.785 4.344 -1.836 23 2HD1 LEU 3 2HD1 LEU 3 -4.454 4.000 -3.547 24 3HD1 LEU 3 3HD1 LEU 3 -6.103 4.395 -3.018 25 1HD2 LEU 3 1HD2 LEU 3 -5.389 1.878 -4.601 26 2HD2 LEU 3 2HD2 LEU 3 -6.292 0.724 -3.603 27 3HD2 LEU 3 3HD2 LEU 3 -7.006 2.294 -4.005 28 H ARG 4 H ARG 4 -1.916 0.044 -0.902 29 HA ARG 4 HA ARG 4 -1.319 -1.839 -3.052 30 1HB ARG 4 1HB ARG 4 0.328 -0.971 -0.648 31 2HB ARG 4 2HB ARG 4 0.876 -2.017 -1.966 32 1HG ARG 4 1HG ARG 4 0.146 -0.108 -3.567 33 2HG ARG 4 2HG ARG 4 0.079 0.920 -2.127 34 1HD ARG 4 1HD ARG 4 2.500 -0.670 -3.100 35 2HD ARG 4 2HD ARG 4 2.238 1.074 -3.338 36 HE ARG 4 HE ARG 4 2.040 0.513 -0.557 37 1HH1 ARG 4 1HH2 ARG 4 4.448 0.462 -3.121 38 2HH1 ARG 4 2HH2 ARG 4 5.778 0.949 -2.105 39 1HH2 ARG 4 1HH1 ARG 4 3.705 1.153 0.794 40 2HH2 ARG 4 2HH1 ARG 4 5.337 1.384 0.210 41 H GLU 5 H GLU 5 -2.864 -2.128 0.017 42 HA GLU 5 HA GLU 5 -1.778 -4.829 0.570 43 1HB GLU 5 1HB GLU 5 -4.239 -3.476 1.751 44 2HB GLU 5 2HB GLU 5 -3.659 -5.071 2.138 45 1HG GLU 5 1HG GLU 5 -1.477 -3.108 2.378 46 2HG GLU 5 2HG GLU 5 -2.861 -2.684 3.391 47 H LEU 6 H LEU 6 -4.519 -3.255 -1.067 48 HA LEU 6 HA LEU 6 -5.490 -5.900 -2.001 49 1HB LEU 6 1HB LEU 6 -6.744 -3.185 -2.026 50 2HB LEU 6 2HB LEU 6 -7.435 -4.612 -2.835 51 HG LEU 6 HG LEU 6 -6.801 -4.477 0.137 52 1HD1 LEU 6 1HD1 LEU 6 -8.594 -2.929 -0.681 53 2HD1 LEU 6 2HD1 LEU 6 -9.434 -4.343 -1.350 54 3HD1 LEU 6 3HD1 LEU 6 -9.154 -4.212 0.399 55 1HD2 LEU 6 1HD2 LEU 6 -8.058 -6.630 -1.572 56 2HD2 LEU 6 2HD2 LEU 6 -6.702 -6.780 -0.442 57 3HD2 LEU 6 3HD2 LEU 6 -8.318 -6.515 0.182 58 H LEU 7 H LEU 7 -2.950 -4.826 -2.907 59 HA LEU 7 HA LEU 7 -3.638 -5.281 -5.645 60 1HB LEU 7 1HB LEU 7 -3.474 -2.688 -5.279 61 2HB LEU 7 2HB LEU 7 -1.738 -2.951 -5.154 62 HG LEU 7 HG LEU 7 -2.320 -2.208 -7.357 63 1HD1 LEU 7 1HD1 LEU 7 -0.541 -3.990 -7.168 64 2HD1 LEU 7 2HD1 LEU 7 -1.761 -5.153 -7.759 65 3HD1 LEU 7 3HD1 LEU 7 -1.286 -3.782 -8.761 66 1HD2 LEU 7 1HD2 LEU 7 -3.771 -3.872 -8.820 67 2HD2 LEU 7 2HD2 LEU 7 -4.491 -4.305 -7.282 68 3HD2 LEU 7 3HD2 LEU 7 -4.519 -2.626 -7.795 69 H LYS 8 H LYS 8 -0.817 -4.605 -3.527 70 HA LYS 8 HA LYS 8 0.874 -6.017 -5.234 71 1HB LYS 8 1HB LYS 8 1.335 -4.307 -3.231 72 2HB LYS 8 2HB LYS 8 1.504 -5.790 -2.279 73 1HG LYS 8 1HG LYS 8 3.207 -6.573 -3.999 74 2HG LYS 8 2HG LYS 8 3.036 -4.996 -4.801 75 1HD LYS 8 1HD LYS 8 3.692 -3.891 -2.605 76 2HD LYS 8 2HD LYS 8 4.003 -5.511 -1.951 77 1HE LYS 8 1HE LYS 8 5.660 -5.891 -3.821 78 2HE LYS 8 2HE LYS 8 5.393 -4.220 -4.354 79 1HZ LYS 8 1HZ LYS 8 6.167 -3.495 -2.201 80 2HZ LYS 8 2HZ LYS 8 6.435 -5.056 -1.739 81 3HZ LYS 8 3HZ LYS 8 7.311 -4.400 -2.971 82 H LEU 9 H LEU 9 -0.864 -6.960 -2.294 83 HA LEU 9 HA LEU 9 0.014 -9.710 -2.229 84 1HB LEU 9 1HB LEU 9 -2.446 -8.316 -1.141 85 2HB LEU 9 2HB LEU 9 -2.145 -10.024 -0.895 86 HG LEU 9 HG LEU 9 0.020 -8.052 -0.116 87 1HD1 LEU 9 1HD1 LEU 9 -1.933 -7.133 1.002 88 2HD1 LEU 9 2HD1 LEU 9 -2.423 -8.740 1.573 89 3HD1 LEU 9 3HD1 LEU 9 -0.934 -7.981 2.184 90 1HD2 LEU 9 1HD2 LEU 9 -0.900 -10.714 1.071 91 2HD2 LEU 9 2HD2 LEU 9 0.432 -10.525 -0.087 92 3HD2 LEU 9 3HD2 LEU 9 0.554 -9.797 1.521 93 H GLU 10 H GLU 10 -2.798 -7.994 -3.728 94 HA GLU 10 HA GLU 10 -4.102 -10.246 -4.725 95 1HB GLU 10 1HB GLU 10 -3.945 -7.570 -6.104 96 2HB GLU 10 2HB GLU 10 -5.119 -8.872 -6.297 97 1HG GLU 10 1HG GLU 10 -4.826 -7.179 -3.818 98 2HG GLU 10 2HG GLU 10 -6.108 -7.038 -5.013 99 H LEU 11 H LEU 11 -1.342 -8.439 -6.163 100 HA LEU 11 HA LEU 11 -1.436 -9.803 -8.694 101 1HB LEU 11 1HB LEU 11 -0.121 -7.659 -8.046 102 2HB LEU 11 2HB LEU 11 1.045 -8.735 -7.274 103 HG LEU 11 HG LEU 11 1.173 -9.919 -9.621 104 1HD1 LEU 11 1HD1 LEU 11 -0.801 -8.752 -10.621 105 2HD1 LEU 11 2HD1 LEU 11 0.035 -7.198 -10.422 106 3HD1 LEU 11 3HD1 LEU 11 0.685 -8.426 -11.524 107 1HD2 LEU 11 1HD2 LEU 11 2.279 -7.117 -9.192 108 2HD2 LEU 11 2HD2 LEU 11 3.011 -8.642 -8.642 109 3HD2 LEU 11 3HD2 LEU 11 2.876 -8.303 -10.375 110 H GLN 12 H GLN 12 0.148 -10.628 -5.619 111 HA GLN 12 HA GLN 12 1.770 -12.786 -6.532 112 1HB GLN 12 1HB GLN 12 0.235 -12.548 -3.926 113 2HB GLN 12 2HB GLN 12 1.575 -13.655 -4.220 114 1HG GLN 12 1HG GLN 12 3.164 -11.849 -4.446 115 2HG GLN 12 2HG GLN 12 1.894 -10.629 -4.387 116 1HE2 GLN 12 2HE2 GLN 12 0.851 -12.852 -2.122 117 2HE2 GLN 12 1HE2 GLN 12 1.635 -12.146 -0.728 118 H LEU 13 H LEU 13 -1.671 -12.570 -5.820 119 HA LEU 13 HA LEU 13 -2.297 -15.327 -5.654 120 1HB LEU 13 1HB LEU 13 -4.167 -13.206 -6.758 121 2HB LEU 13 2HB LEU 13 -4.574 -14.710 -5.944 122 HG LEU 13 HG LEU 13 -3.197 -12.327 -4.637 123 1HD1 LEU 13 1HD1 LEU 13 -5.452 -11.844 -5.497 124 2HD1 LEU 13 2HD1 LEU 13 -6.079 -13.249 -4.650 125 3HD1 LEU 13 3HD1 LEU 13 -5.373 -11.863 -3.732 126 1HD2 LEU 13 1HD2 LEU 13 -4.321 -14.882 -3.446 127 2HD2 LEU 13 2HD2 LEU 13 -2.613 -14.414 -3.513 128 3HD2 LEU 13 3HD2 LEU 13 -3.735 -13.474 -2.537 129 H ILE 14 H ILE 14 -2.698 -12.967 -8.369 130 HA ILE 14 HA ILE 14 -3.502 -14.896 -10.283 131 HB ILE 14 HB ILE 14 -2.242 -12.120 -10.391 132 1HG1 ILE 14 1HG1 ILE 14 -4.373 -11.768 -11.741 133 2HG1 ILE 14 2HG1 ILE 14 -4.852 -13.415 -11.368 134 1HG2 ILE 14 1HG2 ILE 14 -1.157 -13.204 -12.310 135 2HG2 ILE 14 2HG2 ILE 14 -2.716 -13.870 -12.847 136 3HG2 ILE 14 3HG2 ILE 14 -2.434 -12.123 -12.867 137 1HD1 ILE 14 1HD1 ILE 14 -4.964 -12.834 -8.973 138 2HD1 ILE 14 2HD1 ILE 14 -4.276 -11.224 -9.326 139 3HD1 ILE 14 3HD1 ILE 14 -5.883 -11.673 -9.935 140 H LYS 15 H LYS 15 -0.274 -14.043 -9.173 141 HA LYS 15 HA LYS 15 1.100 -15.780 -11.019 142 1HB LYS 15 1HB LYS 15 1.922 -13.887 -9.188 143 2HB LYS 15 2HB LYS 15 2.268 -15.368 -8.299 144 1HG LYS 15 1HG LYS 15 4.244 -14.838 -9.459 145 2HG LYS 15 2HG LYS 15 3.530 -16.179 -10.368 146 1HD LYS 15 1HD LYS 15 2.572 -14.491 -12.001 147 2HD LYS 15 2HD LYS 15 3.306 -13.193 -11.048 148 1HE LYS 15 1HE LYS 15 5.560 -14.104 -11.513 149 2HE LYS 15 2HE LYS 15 4.845 -15.466 -12.399 150 1HZ LYS 15 1HZ LYS 15 3.945 -13.900 -13.958 151 2HZ LYS 15 2HZ LYS 15 4.605 -12.632 -13.138 152 3HZ LYS 15 3HZ LYS 15 5.582 -13.744 -13.863 153 H GLN 16 H GLN 16 -0.143 -16.271 -7.670 154 HA GLN 16 HA GLN 16 0.912 -18.967 -7.487 155 1HB GLN 16 1HB GLN 16 -1.135 -17.422 -5.862 156 2HB GLN 16 2HB GLN 16 -0.632 -19.076 -5.475 157 1HG GLN 16 1HG GLN 16 1.696 -18.403 -5.246 158 2HG GLN 16 2HG GLN 16 1.345 -16.767 -5.778 159 1HE2 GLN 16 2HE2 GLN 16 1.278 -18.973 -3.089 160 2HE2 GLN 16 1HE2 GLN 16 0.735 -17.787 -1.900 161 H TYR 17 H TYR 17 -2.058 -17.614 -8.710 162 HA TYR 17 HA TYR 17 -3.619 -19.996 -8.909 163 1HB TYR 17 1HB TYR 17 -3.642 -17.188 -10.008 164 2HB TYR 17 2HB TYR 17 -4.448 -18.361 -10.983 165 HD1 TYR 17 HD1 TYR 17 -4.622 -16.483 -7.816 166 HD2 TYR 17 HD2 TYR 17 -6.545 -19.413 -10.314 167 HE1 TYR 17 HE1 TYR 17 -6.691 -16.166 -6.562 168 HE2 TYR 17 HE2 TYR 17 -8.602 -19.205 -8.929 169 HH TYR 17 HH TYR 17 -8.856 -16.830 -6.264 170 H ARG 18 H ARG 18 -1.112 -18.512 -10.877 171 HA ARG 18 HA ARG 18 -1.548 -20.298 -13.169 172 1HB ARG 18 1HB ARG 18 0.683 -18.332 -12.492 173 2HB ARG 18 2HB ARG 18 0.729 -19.441 -13.867 174 1HG ARG 18 1HG ARG 18 -1.393 -18.510 -14.716 175 2HG ARG 18 2HG ARG 18 -1.434 -17.355 -13.379 176 1HD ARG 18 1HD ARG 18 0.069 -15.975 -14.321 177 2HD ARG 18 2HD ARG 18 1.144 -17.265 -14.840 178 HE ARG 18 HE ARG 18 -0.891 -15.923 -16.400 179 1HH1 ARG 18 1HH2 ARG 18 0.755 -19.000 -15.990 180 2HH1 ARG 18 2HH2 ARG 18 0.577 -19.515 -17.646 181 1HH2 ARG 18 1HH1 ARG 18 -1.201 -16.567 -18.569 182 2HH2 ARG 18 2HH1 ARG 18 -0.590 -18.091 -19.149 183 H GLU 19 H GLU 19 0.667 -19.915 -10.488 184 HA GLU 19 HA GLU 19 2.265 -22.180 -10.900 185 1HB GLU 19 1HB GLU 19 2.550 -20.302 -9.176 186 2HB GLU 19 2HB GLU 19 1.455 -21.243 -8.143 187 1HG GLU 19 1HG GLU 19 2.992 -23.171 -8.245 188 2HG GLU 19 2HG GLU 19 4.066 -22.277 -9.337 189 H ALA 20 H ALA 20 -0.938 -21.952 -9.196 190 HA ALA 20 HA ALA 20 -0.820 -24.876 -8.675 191 1HB ALA 20 1HB ALA 20 -1.833 -23.382 -7.074 192 2HB ALA 20 2HB ALA 20 -3.055 -22.904 -8.281 193 3HB ALA 20 3HB ALA 20 -2.982 -24.588 -7.696 194 H LEU 21 H LEU 21 -2.096 -22.843 -11.286 195 HA LEU 21 HA LEU 21 -4.115 -24.350 -12.266 196 1HB LEU 21 1HB LEU 21 -2.984 -22.227 -13.177 197 2HB LEU 21 2HB LEU 21 -1.986 -23.281 -14.168 198 HG LEU 21 HG LEU 21 -5.035 -23.404 -14.147 199 1HD1 LEU 21 1HD1 LEU 21 -4.417 -21.084 -14.591 200 2HD1 LEU 21 2HD1 LEU 21 -3.281 -21.605 -15.857 201 3HD1 LEU 21 3HD1 LEU 21 -5.025 -21.872 -16.049 202 1HD2 LEU 21 1HD2 LEU 21 -2.987 -24.204 -16.252 203 2HD2 LEU 21 2HD2 LEU 21 -4.083 -25.285 -15.358 204 3HD2 LEU 21 3HD2 LEU 21 -4.743 -24.143 -16.517 205 H GLU 22 H GLU 22 -0.689 -25.114 -12.672 206 HA GLU 22 HA GLU 22 -1.000 -27.296 -14.529 207 1HB GLU 22 1HB GLU 22 1.307 -27.960 -13.608 208 2HB GLU 22 2HB GLU 22 1.161 -26.458 -14.527 209 1HG GLU 22 1HG GLU 22 1.288 -25.102 -12.588 210 2HG GLU 22 2HG GLU 22 1.026 -26.481 -11.499 211 H TYR 23 H TYR 23 -0.967 -27.064 -10.992 212 HA TYR 23 HA TYR 23 -1.056 -29.927 -10.491 213 1HB TYR 23 1HB TYR 23 -1.193 -27.376 -8.904 214 2HB TYR 23 2HB TYR 23 -2.053 -28.725 -8.236 215 HD1 TYR 23 HD1 TYR 23 -0.872 -30.745 -7.466 216 HD2 TYR 23 HD2 TYR 23 1.275 -27.420 -9.182 217 HE1 TYR 23 HE1 TYR 23 1.274 -31.717 -6.682 218 HE2 TYR 23 HE2 TYR 23 3.407 -28.403 -8.426 219 HH TYR 23 HH TYR 23 4.416 -30.167 -7.361 220 H VAL 24 H VAL 24 -3.372 -27.268 -10.891 221 HA VAL 24 HA VAL 24 -5.636 -28.882 -10.056 222 HB VAL 24 HB VAL 24 -5.516 -26.203 -11.496 223 1HG1 VAL 24 1HG1 VAL 24 -7.696 -27.143 -11.924 224 2HG1 VAL 24 2HG1 VAL 24 -7.830 -27.779 -10.270 225 3HG1 VAL 24 3HG1 VAL 24 -7.898 -26.040 -10.563 226 1HG2 VAL 24 1HG2 VAL 24 -6.131 -26.918 -8.609 227 2HG2 VAL 24 2HG2 VAL 24 -4.566 -26.283 -9.122 228 3HG2 VAL 24 3HG2 VAL 24 -6.012 -25.277 -9.278 229 H LYS 25 H LYS 25 -4.152 -28.188 -13.181 230 HA LYS 25 HA LYS 25 -4.575 -28.870 -15.297 231 1HB LYS 25 1HB LYS 25 -5.754 -31.308 -13.890 232 2HB LYS 25 2HB LYS 25 -5.404 -31.187 -15.617 233 1HG LYS 25 1HG LYS 25 -3.024 -30.807 -15.149 234 2HG LYS 25 2HG LYS 25 -3.323 -30.955 -13.407 235 1HD LYS 25 1HD LYS 25 -3.869 -33.226 -13.529 236 2HD LYS 25 2HD LYS 25 -4.282 -33.162 -15.252 237 1HE LYS 25 1HE LYS 25 -1.922 -32.853 -15.864 238 2HE LYS 25 2HE LYS 25 -1.451 -32.874 -14.153 239 1HZ LYS 25 1HZ LYS 25 -2.253 -35.108 -14.018 240 2HZ LYS 25 2HZ LYS 25 -2.772 -35.081 -15.583 241 3HZ LYS 25 3HZ LYS 25 -1.160 -34.997 -15.248 242 H LEU 26 H LEU 26 -6.381 -26.952 -14.560 243 HA LEU 26 HA LEU 26 -8.707 -27.834 -16.153 244 1HB LEU 26 1HB LEU 26 -9.093 -28.063 -13.587 245 2HB LEU 26 2HB LEU 26 -9.124 -26.297 -13.587 246 HG LEU 26 HG LEU 26 -11.001 -26.476 -15.341 247 1HD1 LEU 26 1HD1 LEU 26 -10.651 -28.861 -16.037 248 2HD1 LEU 26 2HD1 LEU 26 -10.949 -29.382 -14.372 249 3HD1 LEU 26 3HD1 LEU 26 -12.252 -28.647 -15.321 250 1HD2 LEU 26 1HD2 LEU 26 -11.425 -27.710 -12.591 251 2HD2 LEU 26 2HD2 LEU 26 -11.378 -25.970 -12.931 252 3HD2 LEU 26 3HD2 LEU 26 -12.688 -26.965 -13.597 253 HA PRO 27 HA PRO 27 -7.501 -23.859 -17.838 254 1HB PRO 27 1HB PRO 27 -9.387 -23.536 -19.791 255 2HB PRO 27 2HB PRO 27 -8.039 -24.701 -19.920 256 1HG PRO 27 1HG PRO 27 -10.878 -25.265 -19.016 257 2HG PRO 27 2HG PRO 27 -9.922 -26.159 -20.234 258 1HD PRO 27 1HD PRO 27 -10.111 -27.011 -17.671 259 2HD PRO 27 2HD PRO 27 -8.560 -27.156 -18.548 260 H VAL 28 H VAL 28 -10.617 -24.596 -16.383 261 HA VAL 28 HA VAL 28 -11.786 -22.031 -16.392 262 HB VAL 28 HB VAL 28 -11.950 -24.128 -14.264 263 1HG1 VAL 28 1HG1 VAL 28 -12.864 -21.975 -13.503 264 2HG1 VAL 28 2HG1 VAL 28 -13.834 -21.840 -14.981 265 3HG1 VAL 28 3HG1 VAL 28 -14.178 -23.115 -13.792 266 1HG2 VAL 28 1HG2 VAL 28 -13.668 -23.688 -16.750 267 2HG2 VAL 28 2HG2 VAL 28 -12.606 -25.081 -16.471 268 3HG2 VAL 28 3HG2 VAL 28 -14.028 -24.846 -15.454 269 H LEU 29 H LEU 29 -9.021 -23.309 -14.492 270 HA LEU 29 HA LEU 29 -9.025 -21.248 -12.487 271 1HB LEU 29 1HB LEU 29 -7.180 -23.370 -13.515 272 2HB LEU 29 2HB LEU 29 -6.437 -21.989 -12.751 273 HG LEU 29 HG LEU 29 -6.952 -24.033 -11.346 274 1HD1 LEU 29 1HD1 LEU 29 -6.278 -21.881 -10.378 275 2HD1 LEU 29 2HD1 LEU 29 -7.978 -21.348 -10.348 276 3HD1 LEU 29 3HD1 LEU 29 -7.451 -22.711 -9.342 277 1HD2 LEU 29 1HD2 LEU 29 -9.795 -22.920 -11.297 278 2HD2 LEU 29 2HD2 LEU 29 -9.290 -24.437 -12.065 279 3HD2 LEU 29 3HD2 LEU 29 -9.166 -24.221 -10.307 280 H ALA 30 H ALA 30 -7.288 -21.597 -15.672 281 HA ALA 30 HA ALA 30 -6.317 -19.043 -15.722 282 1HB ALA 30 1HB ALA 30 -5.993 -20.754 -17.606 283 2HB ALA 30 2HB ALA 30 -7.599 -20.282 -18.190 284 3HB ALA 30 3HB ALA 30 -6.295 -19.093 -18.128 285 H LYS 31 H LYS 31 -9.673 -19.956 -16.354 286 HA LYS 31 HA LYS 31 -10.290 -17.231 -17.264 287 1HB LYS 31 1HB LYS 31 -12.176 -19.487 -16.500 288 2HB LYS 31 2HB LYS 31 -12.613 -17.947 -17.269 289 1HG LYS 31 1HG LYS 31 -10.974 -18.470 -19.121 290 2HG LYS 31 2HG LYS 31 -10.749 -20.079 -18.411 291 1HD LYS 31 1HD LYS 31 -13.158 -20.576 -18.759 292 2HD LYS 31 2HD LYS 31 -13.417 -18.927 -19.355 293 1HE LYS 31 1HE LYS 31 -13.234 -20.463 -21.256 294 2HE LYS 31 2HE LYS 31 -11.875 -19.328 -21.250 295 1HZ LYS 31 1HZ LYS 31 -10.528 -21.042 -20.263 296 2HZ LYS 31 2HZ LYS 31 -11.796 -22.096 -20.264 297 3HZ LYS 31 3HZ LYS 31 -11.168 -21.554 -21.690 298 H ILE 32 H ILE 32 -10.160 -18.849 -14.175 299 HA ILE 32 HA ILE 32 -11.835 -16.871 -12.796 300 HB ILE 32 HB ILE 32 -10.044 -19.156 -11.875 301 1HG1 ILE 32 1HG1 ILE 32 -13.033 -18.752 -11.452 302 2HG1 ILE 32 2HG1 ILE 32 -12.411 -19.525 -12.905 303 1HG2 ILE 32 1HG2 ILE 32 -9.793 -17.474 -10.184 304 2HG2 ILE 32 2HG2 ILE 32 -11.490 -17.022 -10.297 305 3HG2 ILE 32 3HG2 ILE 32 -11.027 -18.568 -9.557 306 1HD1 ILE 32 1HD1 ILE 32 -11.334 -21.271 -11.577 307 2HD1 ILE 32 2HD1 ILE 32 -11.902 -20.530 -10.066 308 3HD1 ILE 32 3HD1 ILE 32 -13.068 -21.183 -11.221 309 H LEU 33 H LEU 33 -8.369 -17.646 -13.289 310 HA LEU 33 HA LEU 33 -7.373 -15.625 -11.506 311 1HB LEU 33 1HB LEU 33 -5.368 -16.462 -11.998 312 2HB LEU 33 2HB LEU 33 -6.393 -17.832 -12.432 313 HG LEU 33 HG LEU 33 -6.113 -17.207 -14.800 314 1HD1 LEU 33 1HD1 LEU 33 -5.427 -15.058 -15.101 315 2HD1 LEU 33 2HD1 LEU 33 -4.487 -15.043 -13.587 316 3HD1 LEU 33 3HD1 LEU 33 -3.849 -15.848 -15.048 317 1HD2 LEU 33 1HD2 LEU 33 -3.647 -17.698 -13.079 318 2HD2 LEU 33 2HD2 LEU 33 -4.818 -18.944 -13.534 319 3HD2 LEU 33 3HD2 LEU 33 -3.816 -18.183 -14.785 320 H GLU 34 H GLU 34 -8.147 -15.741 -15.005 321 HA GLU 34 HA GLU 34 -7.270 -13.137 -15.672 322 1HB GLU 34 1HB GLU 34 -8.141 -15.052 -17.201 323 2HB GLU 34 2HB GLU 34 -9.757 -14.498 -16.799 324 1HG GLU 34 1HG GLU 34 -9.142 -12.205 -17.647 325 2HG GLU 34 2HG GLU 34 -7.554 -12.837 -18.106 326 H ASP 35 H ASP 35 -10.492 -14.285 -14.676 327 HA ASP 35 HA ASP 35 -11.765 -11.772 -14.743 328 1HB ASP 35 1HB ASP 35 -12.779 -14.131 -14.496 329 2HB ASP 35 2HB ASP 35 -12.485 -13.946 -12.760 330 H GLU 36 H GLU 36 -10.205 -13.444 -11.988 331 HA GLU 36 HA GLU 36 -10.478 -11.445 -10.027 332 1HB GLU 36 1HB GLU 36 -8.142 -13.352 -10.472 333 2HB GLU 36 2HB GLU 36 -8.453 -12.412 -9.015 334 1HG GLU 36 1HG GLU 36 -10.856 -13.929 -9.686 335 2HG GLU 36 2HG GLU 36 -9.451 -15.000 -9.658 336 H GLU 37 H GLU 37 -7.814 -11.888 -12.539 337 HA GLU 37 HA GLU 37 -6.295 -9.781 -11.808 338 1HB GLU 37 1HB GLU 37 -6.193 -11.641 -13.752 339 2HB GLU 37 2HB GLU 37 -6.769 -10.333 -14.777 340 1HG GLU 37 1HG GLU 37 -4.470 -9.920 -12.884 341 2HG GLU 37 2HG GLU 37 -4.257 -10.950 -14.299 342 H LYS 38 H LYS 38 -9.127 -9.684 -14.013 343 HA LYS 38 HA LYS 38 -8.976 -6.880 -14.504 344 1HB LYS 38 1HB LYS 38 -10.345 -8.514 -15.821 345 2HB LYS 38 2HB LYS 38 -11.348 -8.781 -14.403 346 1HG LYS 38 1HG LYS 38 -12.692 -7.420 -15.623 347 2HG LYS 38 2HG LYS 38 -11.964 -6.250 -14.537 348 1HD LYS 38 1HD LYS 38 -11.180 -6.790 -17.450 349 2HD LYS 38 2HD LYS 38 -12.155 -5.440 -16.849 350 1HE LYS 38 1HE LYS 38 -10.106 -4.771 -15.424 351 2HE LYS 38 2HE LYS 38 -9.184 -5.925 -16.421 352 1HZ LYS 38 1HZ LYS 38 -9.812 -4.714 -18.344 353 2HZ LYS 38 2HZ LYS 38 -10.689 -3.636 -17.448 354 3HZ LYS 38 3HZ LYS 38 -9.055 -3.733 -17.258 355 H HIS 39 H HIS 39 -10.779 -8.664 -11.985 356 HA HIS 39 HA HIS 39 -12.013 -6.388 -10.805 357 1HB HIS 39 1HB HIS 39 -11.351 -9.193 -9.944 358 2HB HIS 39 2HB HIS 39 -11.676 -8.042 -8.672 359 HD1 HIS 39 HD1 HIS 39 -14.137 -6.829 -8.755 360 HD2 HIS 39 HD2 HIS 39 -13.396 -9.790 -11.635 361 HE1 HIS 39 HE1 HIS 39 -16.367 -7.289 -9.872 362 HE2 HIS 39 HE2 HIS 39 -15.932 -9.164 -11.608 363 H ILE 40 H ILE 40 -8.848 -7.832 -10.194 364 HA ILE 40 HA ILE 40 -8.135 -6.029 -8.056 365 HB ILE 40 HB ILE 40 -6.706 -8.077 -9.766 366 1HG1 ILE 40 1HG1 ILE 40 -7.022 -8.048 -6.753 367 2HG1 ILE 40 2HG1 ILE 40 -8.411 -8.459 -7.707 368 1HG2 ILE 40 1HG2 ILE 40 -4.990 -6.374 -9.237 369 2HG2 ILE 40 2HG2 ILE 40 -5.450 -6.453 -7.522 370 3HG2 ILE 40 3HG2 ILE 40 -4.721 -7.859 -8.339 371 1HD1 ILE 40 1HD1 ILE 40 -7.356 -10.325 -8.749 372 2HD1 ILE 40 2HD1 ILE 40 -5.787 -9.947 -8.038 373 3HD1 ILE 40 3HD1 ILE 40 -7.140 -10.468 -7.005 374 H GLU 41 H GLU 41 -7.604 -6.156 -11.557 375 HA GLU 41 HA GLU 41 -5.765 -4.073 -11.870 376 1HB GLU 41 1HB GLU 41 -6.633 -5.685 -13.687 377 2HB GLU 41 2HB GLU 41 -8.077 -4.656 -13.770 378 1HG GLU 41 1HG GLU 41 -6.379 -2.720 -14.177 379 2HG GLU 41 2HG GLU 41 -5.204 -4.018 -14.458 380 H TRP 42 H TRP 42 -9.357 -3.999 -11.409 381 HA TRP 42 HA TRP 42 -9.862 -1.352 -11.938 382 1HB TRP 42 1HB TRP 42 -11.330 -3.313 -11.059 383 2HB TRP 42 2HB TRP 42 -10.885 -2.738 -9.456 384 HD1 TRP 42 HD1 TRP 42 -12.989 -1.928 -12.449 385 HE1 TRP 42 HE1 TRP 42 -14.598 0.030 -11.914 386 HE3 TRP 42 HE3 TRP 42 -11.001 -0.600 -8.026 387 HZ2 TRP 42 HZ2 TRP 42 -14.827 2.063 -9.809 388 HZ3 TRP 42 HZ3 TRP 42 -11.913 1.326 -6.707 389 HH2 TRP 42 HH2 TRP 42 -13.741 2.730 -7.660 390 H LEU 43 H LEU 43 -8.344 -2.733 -9.007 391 HA LEU 43 HA LEU 43 -8.172 -0.206 -7.616 392 1HB LEU 43 1HB LEU 43 -6.826 -2.942 -7.184 393 2HB LEU 43 2HB LEU 43 -6.520 -1.573 -6.156 394 HG LEU 43 HG LEU 43 -9.358 -1.837 -6.204 395 1HD1 LEU 43 1HD1 LEU 43 -9.032 -4.149 -7.055 396 2HD1 LEU 43 2HD1 LEU 43 -7.911 -4.498 -5.722 397 3HD1 LEU 43 3HD1 LEU 43 -9.616 -4.167 -5.382 398 1HD2 LEU 43 1HD2 LEU 43 -7.194 -2.549 -4.175 399 2HD2 LEU 43 2HD2 LEU 43 -8.050 -1.011 -4.300 400 3HD2 LEU 43 3HD2 LEU 43 -8.912 -2.473 -3.781 401 H GLU 44 H GLU 44 -6.250 -1.455 -10.193 402 HA GLU 44 HA GLU 44 -4.043 0.397 -9.410 403 1HB GLU 44 1HB GLU 44 -2.537 -0.849 -10.560 404 2HB GLU 44 2HB GLU 44 -3.660 -2.113 -10.058 405 1HG GLU 44 1HG GLU 44 -4.751 -1.908 -12.307 406 2HG GLU 44 2HG GLU 44 -3.462 -0.779 -12.761 407 H THR 45 H THR 45 -6.544 -0.136 -11.649 408 HA THR 45 HA THR 45 -5.570 1.748 -13.630 409 HB THR 45 HB THR 45 -7.334 -0.290 -13.768 410 HG1 THR 45 HG1 THR 45 -6.315 0.742 -15.487 411 1HG2 THR 45 1HG2 THR 45 -9.219 0.837 -12.639 412 2HG2 THR 45 2HG2 THR 45 -9.156 2.141 -13.850 413 3HG2 THR 45 3HG2 THR 45 -9.555 0.486 -14.337 414 H ILE 46 H ILE 46 -8.132 1.792 -11.152 415 HA ILE 46 HA ILE 46 -9.183 4.164 -10.994 416 HB ILE 46 HB ILE 46 -9.249 2.435 -9.294 417 1HG1 ILE 46 1HG1 ILE 46 -8.531 4.689 -7.507 418 2HG1 ILE 46 2HG1 ILE 46 -9.548 5.187 -8.874 419 1HG2 ILE 46 1HG2 ILE 46 -6.798 2.017 -9.165 420 2HG2 ILE 46 2HG2 ILE 46 -6.662 3.395 -8.064 421 3HG2 ILE 46 3HG2 ILE 46 -7.689 2.030 -7.632 422 1HD1 ILE 46 1HD1 ILE 46 -11.128 3.423 -8.440 423 2HD1 ILE 46 2HD1 ILE 46 -10.137 2.826 -7.078 424 3HD1 ILE 46 3HD1 ILE 46 -10.927 4.428 -6.984 425 H LEU 47 H LEU 47 -5.757 3.898 -9.849 426 HA LEU 47 HA LEU 47 -4.969 6.429 -10.835 427 1HB LEU 47 1HB LEU 47 -6.379 7.294 -8.983 428 2HB LEU 47 2HB LEU 47 -5.538 6.261 -7.830 429 HG LEU 47 HG LEU 47 -3.688 7.971 -9.402 430 1HD1 LEU 47 1HD1 LEU 47 -5.586 9.513 -9.407 431 2HD1 LEU 47 2HD1 LEU 47 -5.752 9.348 -7.644 432 3HD1 LEU 47 3HD1 LEU 47 -4.296 10.095 -8.341 433 1HD2 LEU 47 1HD2 LEU 47 -4.216 7.748 -6.402 434 2HD2 LEU 47 2HD2 LEU 47 -3.067 6.741 -7.309 435 3HD2 LEU 47 3HD2 LEU 47 -2.799 8.488 -7.174 436 H GLY 48 H GLY 48 -2.705 6.301 -10.922 437 1HA GLY 48 1HA GLY 48 -1.174 4.732 -9.027 438 2HA GLY 48 2HA GLY 48 -1.301 3.992 -10.643 439 1HN NH2 49 1HN NH2 49 1.217 4.697 -9.932 440 2HN NH2 49 2HN NH2 49 1.720 6.211 -10.731 441 1H ACE 0 H1 ACE 0 -3.627 -28.894 1.354 442 2H ACE 0 H2 ACE 0 -2.608 -27.453 1.425 443 3H ACE 0 H3 ACE 0 -3.490 -27.851 -0.066 444 H ASP 1 H ASP 1 0.102 -29.089 -0.422 445 HA ASP 1 HA ASP 1 -0.562 -26.688 0.942 446 1HB ASP 1 1HB ASP 1 1.724 -27.299 0.158 447 2HB ASP 1 2HB ASP 1 1.220 -26.963 -1.510 448 H TYR 2 H TYR 2 -0.914 -27.640 -2.449 449 HA TYR 2 HA TYR 2 -1.829 -25.643 -3.918 450 1HB TYR 2 1HB TYR 2 -1.863 -27.706 -4.946 451 2HB TYR 2 2HB TYR 2 -2.732 -28.477 -3.624 452 HD1 TYR 2 HD1 TYR 2 -3.808 -25.442 -5.577 453 HD2 TYR 2 HD2 TYR 2 -4.428 -29.630 -4.793 454 HE1 TYR 2 HE1 TYR 2 -6.168 -25.233 -6.314 455 HE2 TYR 2 HE2 TYR 2 -6.725 -29.453 -5.703 456 HH TYR 2 HH TYR 2 -8.174 -26.327 -6.634 457 H LEU 3 H LEU 3 -4.317 -27.451 -2.093 458 HA LEU 3 HA LEU 3 -6.196 -25.472 -2.708 459 1HB LEU 3 1HB LEU 3 -6.153 -27.566 -0.476 460 2HB LEU 3 2HB LEU 3 -7.552 -26.509 -0.684 461 HG LEU 3 HG LEU 3 -6.510 -28.203 -2.972 462 1HD1 LEU 3 1HD1 LEU 3 -7.008 -29.732 -1.125 463 2HD1 LEU 3 2HD1 LEU 3 -8.598 -28.970 -0.894 464 3HD1 LEU 3 3HD1 LEU 3 -8.244 -29.864 -2.388 465 1HD2 LEU 3 1HD2 LEU 3 -9.250 -26.984 -2.357 466 2HD2 LEU 3 2HD2 LEU 3 -8.098 -26.345 -3.541 467 3HD2 LEU 3 3HD2 LEU 3 -8.838 -27.930 -3.795 468 H ARG 4 H ARG 4 -4.318 -25.653 0.276 469 HA ARG 4 HA ARG 4 -5.637 -23.453 1.550 470 1HB ARG 4 1HB ARG 4 -2.730 -24.329 1.741 471 2HB ARG 4 2HB ARG 4 -3.574 -23.266 2.876 472 1HG ARG 4 1HG ARG 4 -5.183 -25.131 3.399 473 2HG ARG 4 2HG ARG 4 -4.301 -26.174 2.287 474 1HD ARG 4 1HD ARG 4 -2.209 -25.525 3.741 475 2HD ARG 4 2HD ARG 4 -3.408 -25.107 4.961 476 HE ARG 4 HE ARG 4 -4.337 -27.384 4.770 477 1HH1 ARG 4 1HH2 ARG 4 -0.938 -26.950 3.801 478 2HH1 ARG 4 2HH2 ARG 4 -0.627 -28.655 3.714 479 1HH2 ARG 4 1HH1 ARG 4 -3.917 -29.588 4.619 480 2HH2 ARG 4 2HH1 ARG 4 -2.337 -30.178 4.191 481 H GLU 5 H GLU 5 -3.435 -23.671 -1.179 482 HA GLU 5 HA GLU 5 -2.237 -21.050 -0.749 483 1HB GLU 5 1HB GLU 5 -1.176 -23.104 -1.951 484 2HB GLU 5 2HB GLU 5 -2.164 -22.626 -3.345 485 1HG GLU 5 1HG GLU 5 -1.112 -20.344 -3.231 486 2HG GLU 5 2HG GLU 5 -0.075 -20.930 -1.918 487 H LEU 6 H LEU 6 -4.867 -22.444 -2.712 488 HA LEU 6 HA LEU 6 -5.631 -19.650 -3.523 489 1HB LEU 6 1HB LEU 6 -6.697 -22.119 -4.820 490 2HB LEU 6 2HB LEU 6 -6.831 -20.435 -5.304 491 HG LEU 6 HG LEU 6 -4.177 -20.642 -5.699 492 1HD1 LEU 6 1HD1 LEU 6 -4.818 -23.268 -4.736 493 2HD1 LEU 6 2HD1 LEU 6 -4.601 -23.409 -6.471 494 3HD1 LEU 6 3HD1 LEU 6 -3.304 -22.714 -5.465 495 1HD2 LEU 6 1HD2 LEU 6 -6.398 -21.925 -7.342 496 2HD2 LEU 6 2HD2 LEU 6 -5.819 -20.251 -7.409 497 3HD2 LEU 6 3HD2 LEU 6 -4.781 -21.571 -7.965 498 H LEU 7 H LEU 7 -6.124 -20.758 -0.816 499 HA LEU 7 HA LEU 7 -8.976 -20.344 -0.878 500 1HB LEU 7 1HB LEU 7 -8.613 -22.835 -1.183 501 2HB LEU 7 2HB LEU 7 -7.967 -22.875 0.467 502 HG LEU 7 HG LEU 7 -10.789 -22.080 -0.381 503 1HD1 LEU 7 1HD1 LEU 7 -10.414 -24.421 -0.772 504 2HD1 LEU 7 2HD1 LEU 7 -9.544 -24.620 0.764 505 3HD1 LEU 7 3HD1 LEU 7 -11.285 -24.333 0.769 506 1HD2 LEU 7 1HD2 LEU 7 -9.534 -22.378 2.387 507 2HD2 LEU 7 2HD2 LEU 7 -10.359 -20.949 1.708 508 3HD2 LEU 7 3HD2 LEU 7 -11.282 -22.393 2.092 509 H LYS 8 H LYS 8 -6.465 -21.480 1.474 510 HA LYS 8 HA LYS 8 -7.581 -19.982 3.575 511 1HB LYS 8 1HB LYS 8 -4.853 -21.226 3.099 512 2HB LYS 8 2HB LYS 8 -5.116 -20.217 4.500 513 1HG LYS 8 1HG LYS 8 -7.251 -22.266 4.164 514 2HG LYS 8 2HG LYS 8 -5.630 -22.944 4.336 515 1HD LYS 8 1HD LYS 8 -6.593 -22.735 6.542 516 2HD LYS 8 2HD LYS 8 -5.232 -21.617 6.376 517 1HE LYS 8 1HE LYS 8 -6.944 -19.763 5.874 518 2HE LYS 8 2HE LYS 8 -8.213 -20.937 6.263 519 1HZ LYS 8 1HZ LYS 8 -7.196 -21.136 8.446 520 2HZ LYS 8 2HZ LYS 8 -6.064 -20.007 8.040 521 3HZ LYS 8 3HZ LYS 8 -7.652 -19.585 8.123 522 H LEU 9 H LEU 9 -4.970 -19.337 1.236 523 HA LEU 9 HA LEU 9 -4.390 -16.684 2.221 524 1HB LEU 9 1HB LEU 9 -4.082 -17.791 -0.591 525 2HB LEU 9 2HB LEU 9 -3.427 -16.264 -0.007 526 HG LEU 9 HG LEU 9 -2.615 -19.042 0.956 527 1HD1 LEU 9 1HD1 LEU 9 -1.706 -18.361 -1.265 528 2HD1 LEU 9 2HD1 LEU 9 -1.075 -16.873 -0.544 529 3HD1 LEU 9 3HD1 LEU 9 -0.440 -18.453 -0.035 530 1HD2 LEU 9 1HD2 LEU 9 -1.708 -16.277 1.886 531 2HD2 LEU 9 2HD2 LEU 9 -2.457 -17.549 2.883 532 3HD2 LEU 9 3HD2 LEU 9 -0.834 -17.781 2.235 533 H GLU 10 H GLU 10 -6.822 -17.961 -0.193 534 HA GLU 10 HA GLU 10 -7.563 -15.416 -1.078 535 1HB GLU 10 1HB GLU 10 -9.261 -17.916 -0.853 536 2HB GLU 10 2HB GLU 10 -9.603 -16.452 -1.759 537 1HG GLU 10 1HG GLU 10 -7.274 -18.301 -2.338 538 2HG GLU 10 2HG GLU 10 -8.801 -18.316 -3.220 539 H LEU 11 H LEU 11 -8.627 -17.360 1.692 540 HA LEU 11 HA LEU 11 -10.945 -15.880 2.398 541 1HB LEU 11 1HB LEU 11 -9.764 -18.137 3.374 542 2HB LEU 11 2HB LEU 11 -9.087 -16.994 4.526 543 HG LEU 11 HG LEU 11 -11.621 -16.213 4.784 544 1HD1 LEU 11 1HD1 LEU 11 -12.432 -17.642 2.875 545 2HD1 LEU 11 2HD1 LEU 11 -11.914 -19.087 3.762 546 3HD1 LEU 11 3HD1 LEU 11 -13.215 -18.068 4.407 547 1HD2 LEU 11 1HD2 LEU 11 -10.549 -18.844 5.898 548 2HD2 LEU 11 2HD2 LEU 11 -10.309 -17.222 6.588 549 3HD2 LEU 11 3HD2 LEU 11 -11.932 -17.936 6.552 550 H GLN 12 H GLN 12 -7.521 -15.385 3.300 551 HA GLN 12 HA GLN 12 -7.969 -13.225 5.078 552 1HB GLN 12 1HB GLN 12 -5.827 -14.687 4.731 553 2HB GLN 12 2HB GLN 12 -5.570 -13.778 3.243 554 1HG GLN 12 1HG GLN 12 -5.851 -11.746 5.121 555 2HG GLN 12 2HG GLN 12 -5.087 -13.023 6.059 556 1HE2 GLN 12 2HE2 GLN 12 -4.808 -11.445 2.793 557 2HE2 GLN 12 1HE2 GLN 12 -3.055 -11.416 2.815 558 H LEU 13 H LEU 13 -7.968 -13.369 1.569 559 HA LEU 13 HA LEU 13 -7.449 -10.551 1.139 560 1HB LEU 13 1HB LEU 13 -9.008 -12.373 -0.709 561 2HB LEU 13 2HB LEU 13 -8.133 -10.895 -1.082 562 HG LEU 13 HG LEU 13 -6.816 -13.472 -0.170 563 1HD1 LEU 13 1HD1 LEU 13 -8.052 -13.714 -2.289 564 2HD1 LEU 13 2HD1 LEU 13 -7.277 -12.274 -2.905 565 3HD1 LEU 13 3HD1 LEU 13 -6.300 -13.746 -2.532 566 1HD2 LEU 13 1HD2 LEU 13 -5.581 -10.984 -1.415 567 2HD2 LEU 13 2HD2 LEU 13 -5.482 -11.406 0.306 568 3HD2 LEU 13 3HD2 LEU 13 -4.739 -12.454 -0.892 569 H ILE 14 H ILE 14 -10.345 -12.706 1.094 570 HA ILE 14 HA ILE 14 -12.253 -10.630 0.721 571 HB ILE 14 HB ILE 14 -12.472 -13.328 2.207 572 1HG1 ILE 14 1HG1 ILE 14 -11.741 -13.800 0.024 573 2HG1 ILE 14 2HG1 ILE 14 -13.474 -14.061 -0.002 574 1HG2 ILE 14 1HG2 ILE 14 -14.426 -11.897 2.755 575 2HG2 ILE 14 2HG2 ILE 14 -14.708 -11.582 1.036 576 3HG2 ILE 14 3HG2 ILE 14 -14.892 -13.219 1.685 577 1HD1 ILE 14 1HD1 ILE 14 -13.645 -11.626 -0.923 578 2HD1 ILE 14 2HD1 ILE 14 -11.885 -11.744 -1.163 579 3HD1 ILE 14 3HD1 ILE 14 -12.970 -12.849 -1.997 580 H LYS 15 H LYS 15 -11.176 -12.044 3.773 581 HA LYS 15 HA LYS 15 -12.254 -10.185 5.534 582 1HB LYS 15 1HB LYS 15 -10.301 -12.280 5.580 583 2HB LYS 15 2HB LYS 15 -9.483 -10.876 6.160 584 1HG LYS 15 1HG LYS 15 -10.479 -11.909 8.099 585 2HG LYS 15 2HG LYS 15 -11.584 -10.578 7.722 586 1HD LYS 15 1HD LYS 15 -12.728 -12.446 6.140 587 2HD LYS 15 2HD LYS 15 -11.863 -13.565 7.198 588 1HE LYS 15 1HE LYS 15 -13.024 -12.485 9.175 589 2HE LYS 15 2HE LYS 15 -13.898 -11.441 8.035 590 1HZ LYS 15 1HZ LYS 15 -14.797 -13.428 7.025 591 2HZ LYS 15 2HZ LYS 15 -14.043 -14.369 8.147 592 3HZ LYS 15 3HZ LYS 15 -15.215 -13.310 8.613 593 H GLN 16 H GLN 16 -9.057 -9.820 3.839 594 HA GLN 16 HA GLN 16 -8.503 -7.257 5.060 595 1HB GLN 16 1HB GLN 16 -7.392 -8.808 2.707 596 2HB GLN 16 2HB GLN 16 -6.969 -7.117 2.871 597 1HG GLN 16 1HG GLN 16 -6.589 -8.964 5.235 598 2HG GLN 16 2HG GLN 16 -5.409 -8.883 3.916 599 1HE2 GLN 16 2HE2 GLN 16 -3.678 -7.787 4.898 600 2HE2 GLN 16 1HE2 GLN 16 -3.844 -6.141 5.483 601 H TYR 17 H TYR 17 -10.382 -8.267 2.333 602 HA TYR 17 HA TYR 17 -10.379 -5.744 0.928 603 1HB TYR 17 1HB TYR 17 -11.726 -8.435 0.659 604 2HB TYR 17 2HB TYR 17 -12.457 -7.064 -0.076 605 HD1 TYR 17 HD1 TYR 17 -11.426 -5.593 -1.706 606 HD2 TYR 17 HD2 TYR 17 -10.369 -9.663 -0.906 607 HE1 TYR 17 HE1 TYR 17 -10.445 -5.787 -3.964 608 HE2 TYR 17 HE2 TYR 17 -9.271 -9.829 -3.085 609 HH TYR 17 HH TYR 17 -8.935 -8.816 -5.104 610 H ARG 18 H ARG 18 -12.114 -7.158 3.558 611 HA ARG 18 HA ARG 18 -14.250 -5.109 3.524 612 1HB ARG 18 1HB ARG 18 -13.602 -7.366 5.465 613 2HB ARG 18 2HB ARG 18 -14.774 -6.083 5.791 614 1HG ARG 18 1HG ARG 18 -15.996 -6.676 3.699 615 2HG ARG 18 2HG ARG 18 -14.907 -8.061 3.473 616 1HD ARG 18 1HD ARG 18 -15.676 -9.079 5.535 617 2HD ARG 18 2HD ARG 18 -16.526 -7.587 6.012 618 HE ARG 18 HE ARG 18 -17.492 -8.595 3.494 619 1HH1 ARG 18 1HH2 ARG 18 -17.677 -9.124 6.970 620 2HH1 ARG 18 2HH2 ARG 18 -19.328 -9.683 6.961 621 1HH2 ARG 18 1HH1 ARG 18 -19.653 -9.311 3.438 622 2HH2 ARG 18 2HH1 ARG 18 -20.477 -9.804 4.889 623 H GLU 19 H GLU 19 -11.300 -5.983 5.215 624 HA GLU 19 HA GLU 19 -11.305 -3.875 7.089 625 1HB GLU 19 1HB GLU 19 -9.700 -5.864 6.966 626 2HB GLU 19 2HB GLU 19 -8.766 -4.899 5.804 627 1HG GLU 19 1HG GLU 19 -8.541 -3.093 7.473 628 2HG GLU 19 2HG GLU 19 -9.513 -4.024 8.627 629 H ALA 20 H ALA 20 -10.084 -3.903 3.686 630 HA ALA 20 HA ALA 20 -9.153 -1.136 3.974 631 1HB ALA 20 1HB ALA 20 -8.250 -2.846 2.298 632 2HB ALA 20 2HB ALA 20 -9.726 -2.445 1.356 633 3HB ALA 20 3HB ALA 20 -8.536 -1.190 1.722 634 H LEU 21 H LEU 21 -12.182 -2.668 2.919 635 HA LEU 21 HA LEU 21 -13.416 -0.795 1.434 636 1HB LEU 21 1HB LEU 21 -14.397 -2.969 2.261 637 2HB LEU 21 2HB LEU 21 -14.717 -2.179 3.813 638 HG LEU 21 HG LEU 21 -16.228 -0.548 2.666 639 1HD1 LEU 21 1HD1 LEU 21 -15.362 -0.582 0.396 640 2HD1 LEU 21 2HD1 LEU 21 -15.607 -2.330 0.282 641 3HD1 LEU 21 3HD1 LEU 21 -17.004 -1.226 0.345 642 1HD2 LEU 21 1HD2 LEU 21 -16.790 -3.527 2.446 643 2HD2 LEU 21 2HD2 LEU 21 -17.136 -2.458 3.811 644 3HD2 LEU 21 3HD2 LEU 21 -18.028 -2.253 2.293 645 H GLU 22 H GLU 22 -13.011 -0.574 4.944 646 HA GLU 22 HA GLU 22 -14.654 1.837 5.176 647 1HB GLU 22 1HB GLU 22 -13.944 1.670 7.608 648 2HB GLU 22 2HB GLU 22 -14.992 0.389 6.980 649 1HG GLU 22 1HG GLU 22 -13.173 -1.168 6.803 650 2HG GLU 22 2HG GLU 22 -11.980 0.114 7.111 651 H TYR 23 H TYR 23 -11.259 1.084 4.821 652 HA TYR 23 HA TYR 23 -10.331 3.731 5.616 653 1HB TYR 23 1HB TYR 23 -9.176 1.290 4.253 654 2HB TYR 23 2HB TYR 23 -8.414 2.832 4.004 655 HD1 TYR 23 HD1 TYR 23 -9.802 0.809 6.884 656 HD2 TYR 23 HD2 TYR 23 -6.653 3.385 5.454 657 HE1 TYR 23 HE1 TYR 23 -8.738 0.734 9.104 658 HE2 TYR 23 HE2 TYR 23 -5.533 3.223 7.658 659 HH TYR 23 HH TYR 23 -6.960 1.418 10.386 660 H VAL 24 H VAL 24 -11.371 2.057 2.643 661 HA VAL 24 HA VAL 24 -10.687 4.412 1.018 662 HB VAL 24 HB VAL 24 -11.931 1.762 0.211 663 1HG1 VAL 24 1HG1 VAL 24 -12.342 3.461 -1.510 664 2HG1 VAL 24 2HG1 VAL 24 -10.677 4.057 -1.382 665 3HG1 VAL 24 3HG1 VAL 24 -10.998 2.458 -2.066 666 1HG2 VAL 24 1HG2 VAL 24 -9.060 2.773 0.095 667 2HG2 VAL 24 2HG2 VAL 24 -9.631 1.508 1.196 668 3HG2 VAL 24 3HG2 VAL 24 -9.618 1.219 -0.544 669 H LYS 25 H LYS 25 -13.623 2.950 2.304 670 HA LYS 25 HA LYS 25 -15.777 3.544 2.329 671 1HB LYS 25 1HB LYS 25 -14.789 6.374 1.797 672 2HB LYS 25 2HB LYS 25 -16.350 5.892 2.471 673 1HG LYS 25 1HG LYS 25 -15.120 4.779 4.380 674 2HG LYS 25 2HG LYS 25 -13.607 5.452 3.749 675 1HD LYS 25 1HD LYS 25 -14.452 7.735 4.003 676 2HD LYS 25 2HD LYS 25 -16.035 7.124 4.536 677 1HE LYS 25 1HE LYS 25 -14.923 6.008 6.488 678 2HE LYS 25 2HE LYS 25 -13.369 6.681 5.973 679 1HZ LYS 25 1HZ LYS 25 -14.286 8.867 6.283 680 2HZ LYS 25 2HZ LYS 25 -15.743 8.242 6.735 681 3HZ LYS 25 3HZ LYS 25 -14.414 7.992 7.674 682 H LEU 26 H LEU 26 -15.057 2.361 0.007 683 HA LEU 26 HA LEU 26 -16.668 3.770 -2.097 684 1HB LEU 26 1HB LEU 26 -14.341 3.741 -2.746 685 2HB LEU 26 2HB LEU 26 -14.219 2.031 -2.328 686 HG LEU 26 HG LEU 26 -16.047 1.669 -4.169 687 1HD1 LEU 26 1HD1 LEU 26 -16.581 4.062 -4.621 688 2HD1 LEU 26 2HD1 LEU 26 -14.896 4.323 -5.124 689 3HD1 LEU 26 3HD1 LEU 26 -15.939 3.247 -6.055 690 1HD2 LEU 26 1HD2 LEU 26 -13.257 2.442 -5.044 691 2HD2 LEU 26 2HD2 LEU 26 -13.681 0.890 -4.289 692 3HD2 LEU 26 3HD2 LEU 26 -14.393 1.325 -5.831 693 HA PRO 27 HA PRO 27 -19.014 -0.054 -1.181 694 1HB PRO 27 1HB PRO 27 -21.071 0.238 -2.995 695 2HB PRO 27 2HB PRO 27 -20.994 1.061 -1.415 696 1HG PRO 27 1HG PRO 27 -20.199 2.170 -4.113 697 2HG PRO 27 2HG PRO 27 -21.190 2.955 -2.852 698 1HD PRO 27 1HD PRO 27 -18.556 3.503 -3.137 699 2HD PRO 27 2HD PRO 27 -19.271 3.395 -1.502 700 H VAL 28 H VAL 28 -18.210 1.032 -4.515 701 HA VAL 28 HA VAL 28 -18.366 -1.407 -5.852 702 HB VAL 28 HB VAL 28 -16.628 0.976 -6.235 703 1HG1 VAL 28 1HG1 VAL 28 -15.163 -0.768 -7.045 704 2HG1 VAL 28 2HG1 VAL 28 -16.517 -1.595 -7.857 705 3HG1 VAL 28 3HG1 VAL 28 -15.940 -0.032 -8.447 706 1HG2 VAL 28 1HG2 VAL 28 -18.745 -0.298 -7.998 707 2HG2 VAL 28 2HG2 VAL 28 -19.031 1.072 -6.893 708 3HG2 VAL 28 3HG2 VAL 28 -17.925 1.250 -8.269 709 H LEU 29 H LEU 29 -15.815 -0.393 -3.522 710 HA LEU 29 HA LEU 29 -13.976 -2.507 -4.235 711 1HB LEU 29 1HB LEU 29 -14.092 -0.370 -2.333 712 2HB LEU 29 2HB LEU 29 -14.047 -1.832 -1.357 713 HG LEU 29 HG LEU 29 -12.101 -1.223 -3.608 714 1HD1 LEU 29 1HD1 LEU 29 -11.974 0.439 -1.792 715 2HD1 LEU 29 2HD1 LEU 29 -11.771 -0.856 -0.594 716 3HD1 LEU 29 3HD1 LEU 29 -10.526 -0.587 -1.837 717 1HD2 LEU 29 1HD2 LEU 29 -11.997 -3.240 -1.307 718 2HD2 LEU 29 2HD2 LEU 29 -12.306 -3.652 -3.010 719 3HD2 LEU 29 3HD2 LEU 29 -10.746 -2.975 -2.538 720 H ALA 30 H ALA 30 -16.743 -2.336 -1.948 721 HA ALA 30 HA ALA 30 -16.011 -4.853 -1.004 722 1HB ALA 30 1HB ALA 30 -17.507 -3.524 0.381 723 2HB ALA 30 2HB ALA 30 -18.754 -3.443 -0.876 724 3HB ALA 30 3HB ALA 30 -18.409 -4.973 -0.045 725 H LYS 31 H LYS 31 -17.903 -3.551 -3.751 726 HA LYS 31 HA LYS 31 -19.410 -5.933 -4.388 727 1HB LYS 31 1HB LYS 31 -19.891 -3.509 -5.201 728 2HB LYS 31 2HB LYS 31 -18.654 -3.851 -6.431 729 1HG LYS 31 1HG LYS 31 -20.085 -6.090 -6.769 730 2HG LYS 31 2HG LYS 31 -21.360 -5.160 -5.988 731 1HD LYS 31 1HD LYS 31 -19.818 -4.453 -8.536 732 2HD LYS 31 2HD LYS 31 -21.479 -5.059 -8.445 733 1HE LYS 31 1HE LYS 31 -22.142 -2.996 -7.174 734 2HE LYS 31 2HE LYS 31 -20.491 -2.372 -7.368 735 1HZ LYS 31 1HZ LYS 31 -20.802 -2.476 -9.737 736 2HZ LYS 31 2HZ LYS 31 -22.343 -3.028 -9.549 737 3HZ LYS 31 3HZ LYS 31 -21.943 -1.514 -9.036 738 H ILE 32 H ILE 32 -16.251 -4.634 -5.295 739 HA ILE 32 HA ILE 32 -15.643 -6.496 -7.382 740 HB ILE 32 HB ILE 32 -14.058 -4.699 -5.513 741 1HG1 ILE 32 1HG1 ILE 32 -14.143 -4.782 -8.553 742 2HG1 ILE 32 2HG1 ILE 32 -15.325 -3.898 -7.585 743 1HG2 ILE 32 1HG2 ILE 32 -12.596 -6.598 -5.651 744 2HG2 ILE 32 2HG2 ILE 32 -12.853 -6.741 -7.388 745 3HG2 ILE 32 3HG2 ILE 32 -11.964 -5.363 -6.735 746 1HD1 ILE 32 1HD1 ILE 32 -13.466 -2.592 -6.535 747 2HD1 ILE 32 2HD1 ILE 32 -12.327 -3.382 -7.647 748 3HD1 ILE 32 3HD1 ILE 32 -13.633 -2.373 -8.284 749 H LEU 33 H LEU 33 -14.955 -6.333 -3.877 750 HA LEU 33 HA LEU 33 -13.858 -8.967 -3.926 751 1HB LEU 33 1HB LEU 33 -13.513 -8.655 -1.571 752 2HB LEU 33 2HB LEU 33 -13.620 -6.993 -2.188 753 HG LEU 33 HG LEU 33 -15.972 -6.980 -1.594 754 1HD1 LEU 33 1HD1 LEU 33 -16.882 -9.039 -1.148 755 2HD1 LEU 33 2HD1 LEU 33 -15.323 -9.676 -0.539 756 3HD1 LEU 33 3HD1 LEU 33 -16.363 -8.637 0.477 757 1HD2 LEU 33 1HD2 LEU 33 -14.259 -7.461 0.796 758 2HD2 LEU 33 2HD2 LEU 33 -14.208 -5.963 -0.223 759 3HD2 LEU 33 3HD2 LEU 33 -15.676 -6.411 0.663 760 H GLU 34 H GLU 34 -17.212 -8.089 -3.716 761 HA GLU 34 HA GLU 34 -18.034 -10.561 -2.693 762 1HB GLU 34 1HB GLU 34 -19.389 -8.434 -3.133 763 2HB GLU 34 2HB GLU 34 -19.515 -8.923 -4.812 764 1HG GLU 34 1HG GLU 34 -20.454 -10.649 -2.475 765 2HG GLU 34 2HG GLU 34 -21.496 -9.502 -3.329 766 H ASP 35 H ASP 35 -17.508 -9.417 -5.979 767 HA ASP 35 HA ASP 35 -18.108 -11.767 -7.438 768 1HB ASP 35 1HB ASP 35 -17.541 -9.408 -8.300 769 2HB ASP 35 2HB ASP 35 -15.839 -9.885 -8.179 770 H GLU 36 H GLU 36 -14.947 -10.689 -6.094 771 HA GLU 36 HA GLU 36 -13.471 -13.012 -6.771 772 1HB GLU 36 1HB GLU 36 -12.996 -11.230 -4.370 773 2HB GLU 36 2HB GLU 36 -11.891 -12.391 -5.111 774 1HG GLU 36 1HG GLU 36 -12.638 -10.882 -7.323 775 2HG GLU 36 2HG GLU 36 -12.645 -9.660 -6.047 776 H GLU 37 H GLU 37 -15.483 -12.409 -3.857 777 HA GLU 37 HA GLU 37 -14.960 -14.714 -2.441 778 1HB GLU 37 1HB GLU 37 -16.690 -12.555 -2.291 779 2HB GLU 37 2HB GLU 37 -17.845 -13.831 -2.613 780 1HG GLU 37 1HG GLU 37 -15.704 -14.047 -0.455 781 2HG GLU 37 2HG GLU 37 -17.163 -13.088 -0.237 782 H LYS 38 H LYS 38 -17.244 -14.338 -5.196 783 HA LYS 38 HA LYS 38 -18.108 -17.072 -5.195 784 1HB LYS 38 1HB LYS 38 -19.146 -15.083 -6.416 785 2HB LYS 38 2HB LYS 38 -17.843 -15.243 -7.604 786 1HG LYS 38 1HG LYS 38 -18.561 -17.714 -7.864 787 2HG LYS 38 2HG LYS 38 -19.976 -17.313 -6.881 788 1HD LYS 38 1HD LYS 38 -20.651 -15.623 -8.585 789 2HD LYS 38 2HD LYS 38 -19.186 -15.987 -9.523 790 1HE LYS 38 1HE LYS 38 -19.942 -18.376 -9.738 791 2HE LYS 38 2HE LYS 38 -21.433 -17.963 -8.875 792 1HZ LYS 38 1HZ LYS 38 -21.938 -16.427 -10.644 793 2HZ LYS 38 2HZ LYS 38 -20.550 -16.828 -11.438 794 3HZ LYS 38 3HZ LYS 38 -21.735 -17.955 -11.231 795 H HIS 39 H HIS 39 -15.396 -15.475 -6.934 796 HA HIS 39 HA HIS 39 -14.583 -17.781 -8.400 797 1HB HIS 39 1HB HIS 39 -13.016 -15.400 -7.335 798 2HB HIS 39 2HB HIS 39 -12.283 -16.672 -8.279 799 HD1 HIS 39 HD1 HIS 39 -13.784 -17.116 -10.742 800 HD2 HIS 39 HD2 HIS 39 -14.038 -13.409 -8.763 801 HE1 HIS 39 HE1 HIS 39 -14.701 -15.421 -12.444 802 HE2 HIS 39 HE2 HIS 39 -14.866 -13.174 -11.181 803 H ILE 40 H ILE 40 -13.805 -16.751 -5.096 804 HA ILE 40 HA ILE 40 -11.962 -18.925 -4.586 805 HB ILE 40 HB ILE 40 -13.436 -17.044 -2.721 806 1HG1 ILE 40 1HG1 ILE 40 -10.535 -16.932 -3.573 807 2HG1 ILE 40 2HG1 ILE 40 -11.698 -16.196 -4.610 808 1HG2 ILE 40 1HG2 ILE 40 -12.582 -19.056 -1.496 809 2HG2 ILE 40 2HG2 ILE 40 -10.996 -18.852 -2.253 810 3HG2 ILE 40 3HG2 ILE 40 -11.606 -17.645 -1.106 811 1HD1 ILE 40 1HD1 ILE 40 -12.569 -14.758 -2.932 812 2HD1 ILE 40 2HD1 ILE 40 -11.518 -15.421 -1.684 813 3HD1 ILE 40 3HD1 ILE 40 -10.815 -14.525 -3.055 814 H GLU 41 H GLU 41 -15.457 -18.368 -4.077 815 HA GLU 41 HA GLU 41 -16.117 -20.629 -2.590 816 1HB GLU 41 1HB GLU 41 -17.639 -18.673 -3.344 817 2HB GLU 41 2HB GLU 41 -17.824 -19.580 -4.862 818 1HG GLU 41 1HG GLU 41 -18.453 -21.582 -3.248 819 2HG GLU 41 2HG GLU 41 -18.740 -20.285 -2.080 820 H TRP 42 H TRP 42 -15.477 -20.286 -6.121 821 HA TRP 42 HA TRP 42 -16.296 -22.749 -7.019 822 1HB TRP 42 1HB TRP 42 -15.180 -20.707 -8.184 823 2HB TRP 42 2HB TRP 42 -13.667 -21.556 -7.890 824 HD1 TRP 42 HD1 TRP 42 -16.835 -21.739 -9.923 825 HE1 TRP 42 HE1 TRP 42 -16.738 -23.704 -11.594 826 HE3 TRP 42 HE3 TRP 42 -12.558 -23.830 -8.304 827 HZ2 TRP 42 HZ2 TRP 42 -15.050 -26.065 -11.998 828 HZ3 TRP 42 HZ3 TRP 42 -11.677 -25.963 -9.316 829 HH2 TRP 42 HH2 TRP 42 -13.034 -27.159 -11.020 830 H LEU 43 H LEU 43 -13.406 -21.934 -5.177 831 HA LEU 43 HA LEU 43 -12.244 -24.635 -5.316 832 1HB LEU 43 1HB LEU 43 -11.454 -22.180 -3.694 833 2HB LEU 43 2HB LEU 43 -10.646 -23.739 -3.665 834 HG LEU 43 HG LEU 43 -10.900 -23.106 -6.441 835 1HD1 LEU 43 1HD1 LEU 43 -11.382 -20.788 -5.902 836 2HD1 LEU 43 2HD1 LEU 43 -9.969 -20.681 -4.846 837 3HD1 LEU 43 3HD1 LEU 43 -9.756 -20.907 -6.590 838 1HD2 LEU 43 1HD2 LEU 43 -8.601 -23.038 -4.483 839 2HD2 LEU 43 2HD2 LEU 43 -9.094 -24.377 -5.523 840 3HD2 LEU 43 3HD2 LEU 43 -8.402 -22.911 -6.252 841 H GLU 44 H GLU 44 -14.064 -22.619 -2.961 842 HA GLU 44 HA GLU 44 -14.212 -24.882 -1.064 843 1HB GLU 44 1HB GLU 44 -15.673 -22.212 -0.988 844 2HB GLU 44 2HB GLU 44 -15.651 -23.453 0.264 845 1HG GLU 44 1HG GLU 44 -13.107 -23.239 0.264 846 2HG GLU 44 2HG GLU 44 -13.321 -21.737 -0.651 847 H THR 45 H THR 45 -15.195 -25.430 -3.741 848 HA THR 45 HA THR 45 -17.656 -26.679 -2.788 849 HB THR 45 HB THR 45 -18.175 -24.424 -3.866 850 HG1 THR 45 HG1 THR 45 -19.747 -26.077 -3.485 851 1HG2 THR 45 1HG2 THR 45 -16.886 -24.519 -5.847 852 2HG2 THR 45 2HG2 THR 45 -17.856 -25.863 -6.494 853 3HG2 THR 45 3HG2 THR 45 -18.589 -24.269 -6.197 854 H ILE 46 H ILE 46 -15.475 -26.094 -5.484 855 HA ILE 46 HA ILE 46 -14.910 -27.441 -7.249 856 HB ILE 46 HB ILE 46 -13.167 -27.606 -5.624 857 1HG1 ILE 46 1HG1 ILE 46 -12.017 -29.640 -6.308 858 2HG1 ILE 46 2HG1 ILE 46 -13.498 -30.298 -7.007 859 1HG2 ILE 46 1HG2 ILE 46 -14.279 -28.546 -3.685 860 2HG2 ILE 46 2HG2 ILE 46 -14.460 -30.114 -4.497 861 3HG2 ILE 46 3HG2 ILE 46 -12.854 -29.490 -4.103 862 1HD1 ILE 46 1HD1 ILE 46 -13.545 -28.467 -8.663 863 2HD1 ILE 46 2HD1 ILE 46 -12.176 -27.681 -7.836 864 3HD1 ILE 46 3HD1 ILE 46 -11.949 -29.232 -8.672 865 H LEU 47 H LEU 47 -17.215 -27.763 -7.738 866 HA LEU 47 HA LEU 47 -18.935 -28.977 -8.537 867 1HB LEU 47 1HB LEU 47 -16.915 -31.255 -8.498 868 2HB LEU 47 2HB LEU 47 -18.573 -31.503 -8.974 869 HG LEU 47 HG LEU 47 -17.137 -31.275 -10.861 870 1HD1 LEU 47 1HD1 LEU 47 -19.546 -30.650 -10.978 871 2HD1 LEU 47 2HD1 LEU 47 -19.091 -28.946 -10.766 872 3HD1 LEU 47 3HD1 LEU 47 -18.532 -29.843 -12.185 873 1HD2 LEU 47 1HD2 LEU 47 -16.707 -28.356 -10.128 874 2HD2 LEU 47 2HD2 LEU 47 -15.495 -29.650 -9.956 875 3HD2 LEU 47 3HD2 LEU 47 -16.112 -29.212 -11.560 876 H GLY 48 H GLY 48 -18.643 -28.510 -5.653 877 1HA GLY 48 1HA GLY 48 -20.665 -30.524 -4.722 878 2HA GLY 48 2HA GLY 48 -19.465 -29.715 -3.704 879 1HN NH2 49 1HN NH2 49 -21.439 -28.338 -6.392 880 2HN NH2 49 2HN NH2 49 -22.312 -27.162 -5.374 Start of MODEL 3 1 1H ACE 0 H1 ACE 0 2.099 -1.037 6.231 2 2H ACE 0 H2 ACE 0 0.763 -1.617 5.214 3 3H ACE 0 H3 ACE 0 2.206 -2.628 5.438 4 H ASP 1 H ASP 1 4.291 -1.328 4.902 5 HA ASP 1 HA ASP 1 4.948 0.710 3.401 6 1HB ASP 1 1HB ASP 1 6.556 -0.992 3.979 7 2HB ASP 1 2HB ASP 1 5.764 -2.193 2.950 8 H TYR 2 H TYR 2 3.827 -2.229 1.770 9 HA TYR 2 HA TYR 2 4.087 -1.284 -0.826 10 1HB TYR 2 1HB TYR 2 3.553 -3.631 0.318 11 2HB TYR 2 2HB TYR 2 1.906 -3.236 -0.147 12 HD1 TYR 2 HD1 TYR 2 5.374 -3.228 -1.662 13 HD2 TYR 2 HD2 TYR 2 1.209 -4.123 -2.237 14 HE1 TYR 2 HE1 TYR 2 5.985 -5.090 -3.184 15 HE2 TYR 2 HE2 TYR 2 1.821 -5.986 -3.771 16 HH TYR 2 HH TYR 2 5.135 -6.592 -4.856 17 H LEU 3 H LEU 3 1.491 -0.596 1.392 18 HA LEU 3 HA LEU 3 -0.025 0.699 -0.758 19 1HB LEU 3 1HB LEU 3 -1.147 -1.028 1.507 20 2HB LEU 3 2HB LEU 3 -2.160 -0.095 0.404 21 HG LEU 3 HG LEU 3 -0.352 -2.380 -0.493 22 1HD1 LEU 3 1HD1 LEU 3 -2.136 -3.173 1.019 23 2HD1 LEU 3 2HD1 LEU 3 -3.352 -2.321 0.042 24 3HD1 LEU 3 3HD1 LEU 3 -2.443 -3.680 -0.651 25 1HD2 LEU 3 1HD2 LEU 3 -2.597 -0.855 -1.898 26 2HD2 LEU 3 2HD2 LEU 3 -0.869 -0.763 -2.306 27 3HD2 LEU 3 3HD2 LEU 3 -1.752 -2.274 -2.547 28 H ARG 4 H ARG 4 1.110 1.069 2.496 29 HA ARG 4 HA ARG 4 -0.789 3.050 3.185 30 1HB ARG 4 1HB ARG 4 2.142 2.953 3.979 31 2HB ARG 4 2HB ARG 4 0.941 4.093 4.596 32 1HG ARG 4 1HG ARG 4 -0.447 1.892 5.171 33 2HG ARG 4 2HG ARG 4 1.136 1.128 5.039 34 1HD ARG 4 1HD ARG 4 0.975 1.678 7.314 35 2HD ARG 4 2HD ARG 4 1.989 2.973 6.635 36 HE ARG 4 HE ARG 4 -0.790 3.700 6.524 37 1HH1 ARG 4 1HH2 ARG 4 1.899 3.395 8.771 38 2HH1 ARG 4 2HH2 ARG 4 1.166 4.339 10.037 39 1HH2 ARG 4 1HH1 ARG 4 -1.833 4.869 8.192 40 2HH2 ARG 4 2HH1 ARG 4 -1.004 5.228 9.681 41 H GLU 5 H GLU 5 1.977 3.149 0.989 42 HA GLU 5 HA GLU 5 1.717 6.107 0.801 43 1HB GLU 5 1HB GLU 5 3.934 4.270 -0.149 44 2HB GLU 5 2HB GLU 5 3.771 5.992 -0.499 45 1HG GLU 5 1HG GLU 5 5.160 6.072 1.323 46 2HG GLU 5 2HG GLU 5 3.597 6.341 2.081 47 H LEU 6 H LEU 6 0.214 3.566 -0.627 48 HA LEU 6 HA LEU 6 0.042 4.925 -3.295 49 1HB LEU 6 1HB LEU 6 -0.246 1.973 -2.630 50 2HB LEU 6 2HB LEU 6 -0.433 2.783 -4.179 51 HG LEU 6 HG LEU 6 2.011 3.536 -3.985 52 1HD1 LEU 6 1HD1 LEU 6 2.945 3.274 -1.988 53 2HD1 LEU 6 2HD1 LEU 6 1.813 2.018 -1.460 54 3HD1 LEU 6 3HD1 LEU 6 3.201 1.604 -2.458 55 1HD2 LEU 6 1HD2 LEU 6 1.666 0.500 -4.016 56 2HD2 LEU 6 2HD2 LEU 6 0.844 1.456 -5.231 57 3HD2 LEU 6 3HD2 LEU 6 2.580 1.525 -5.152 58 H LEU 7 H LEU 7 -1.725 3.728 -0.515 59 HA LEU 7 HA LEU 7 -4.227 4.375 -1.853 60 1HB LEU 7 1HB LEU 7 -4.148 1.970 -1.732 61 2HB LEU 7 2HB LEU 7 -3.565 2.016 -0.065 62 HG LEU 7 HG LEU 7 -5.724 2.922 0.712 63 1HD1 LEU 7 1HD1 LEU 7 -7.639 3.138 -0.692 64 2HD1 LEU 7 2HD1 LEU 7 -6.384 4.080 -1.464 65 3HD1 LEU 7 3HD1 LEU 7 -6.784 2.476 -2.108 66 1HD2 LEU 7 1HD2 LEU 7 -5.989 0.387 -0.947 67 2HD2 LEU 7 2HD2 LEU 7 -5.324 0.503 0.697 68 3HD2 LEU 7 3HD2 LEU 7 -7.025 0.885 0.406 69 H LYS 8 H LYS 8 -2.560 3.916 1.292 70 HA LYS 8 HA LYS 8 -4.659 5.140 2.679 71 1HB LYS 8 1HB LYS 8 -2.973 3.511 3.591 72 2HB LYS 8 2HB LYS 8 -1.860 4.881 3.816 73 1HG LYS 8 1HG LYS 8 -4.675 4.935 4.922 74 2HG LYS 8 2HG LYS 8 -3.406 4.053 5.771 75 1HD LYS 8 1HD LYS 8 -2.194 5.950 6.330 76 2HD LYS 8 2HD LYS 8 -2.760 6.889 4.958 77 1HE LYS 8 1HE LYS 8 -4.996 7.113 5.901 78 2HE LYS 8 2HE LYS 8 -4.542 6.134 7.311 79 1HZ LYS 8 1HZ LYS 8 -2.938 7.817 7.868 80 2HZ LYS 8 2HZ LYS 8 -3.326 8.696 6.527 81 3HZ LYS 8 3HZ LYS 8 -4.436 8.491 7.725 82 H LEU 9 H LEU 9 -1.627 6.320 1.340 83 HA LEU 9 HA LEU 9 -1.928 9.075 2.119 84 1HB LEU 9 1HB LEU 9 -0.513 7.790 -0.239 85 2HB LEU 9 2HB LEU 9 -0.644 9.539 -0.049 86 HG LEU 9 HG LEU 9 0.724 7.682 1.928 87 1HD1 LEU 9 1HD1 LEU 9 1.908 8.108 -0.304 88 2HD1 LEU 9 2HD1 LEU 9 1.862 9.833 0.063 89 3HD1 LEU 9 3HD1 LEU 9 2.791 8.731 1.099 90 1HD2 LEU 9 1HD2 LEU 9 0.542 10.714 1.923 91 2HD2 LEU 9 2HD2 LEU 9 -0.135 9.627 3.165 92 3HD2 LEU 9 3HD2 LEU 9 1.607 9.750 2.956 93 H GLU 10 H GLU 10 -2.980 7.245 -0.847 94 HA GLU 10 HA GLU 10 -4.124 9.424 -2.170 95 1HB GLU 10 1HB GLU 10 -5.072 6.546 -2.060 96 2HB GLU 10 2HB GLU 10 -5.619 7.755 -3.191 97 1HG GLU 10 1HG GLU 10 -2.686 6.952 -3.053 98 2HG GLU 10 2HG GLU 10 -3.913 6.134 -4.036 99 H LEU 11 H LEU 11 -5.585 7.427 0.395 100 HA LEU 11 HA LEU 11 -8.218 8.565 0.304 101 1HB LEU 11 1HB LEU 11 -6.488 7.253 2.422 102 2HB LEU 11 2HB LEU 11 -7.905 8.122 2.990 103 HG LEU 11 HG LEU 11 -8.148 6.036 0.801 104 1HD1 LEU 11 1HD1 LEU 11 -7.064 4.920 2.691 105 2HD1 LEU 11 2HD1 LEU 11 -8.241 5.617 3.825 106 3HD1 LEU 11 3HD1 LEU 11 -8.761 4.428 2.609 107 1HD2 LEU 11 1HD2 LEU 11 -10.084 7.125 2.915 108 2HD2 LEU 11 2HD2 LEU 11 -10.082 7.593 1.203 109 3HD2 LEU 11 3HD2 LEU 11 -10.475 5.930 1.664 110 H GLN 12 H GLN 12 -5.385 9.742 2.237 111 HA GLN 12 HA GLN 12 -6.927 11.952 3.287 112 1HB GLN 12 1HB GLN 12 -4.779 12.993 3.895 113 2HB GLN 12 2HB GLN 12 -4.914 11.338 4.507 114 1HG GLN 12 1HG GLN 12 -3.364 10.506 3.001 115 2HG GLN 12 2HG GLN 12 -3.604 11.856 1.846 116 1HE2 GLN 12 2HE2 GLN 12 -1.449 12.125 1.511 117 2HE2 GLN 12 1HE2 GLN 12 -0.450 12.916 2.716 118 H LEU 13 H LEU 13 -5.509 11.399 0.142 119 HA LEU 13 HA LEU 13 -5.155 14.233 -0.463 120 1HB LEU 13 1HB LEU 13 -5.149 11.860 -2.359 121 2HB LEU 13 2HB LEU 13 -4.615 13.507 -2.673 122 HG LEU 13 HG LEU 13 -3.448 11.592 -0.645 123 1HD1 LEU 13 1HD1 LEU 13 -1.738 11.102 -1.926 124 2HD1 LEU 13 2HD1 LEU 13 -2.982 11.296 -3.190 125 3HD1 LEU 13 3HD1 LEU 13 -1.807 12.597 -2.866 126 1HD2 LEU 13 1HD2 LEU 13 -2.559 14.413 -1.371 127 2HD2 LEU 13 2HD2 LEU 13 -3.092 13.857 0.238 128 3HD2 LEU 13 3HD2 LEU 13 -1.589 13.242 -0.451 129 H ILE 14 H ILE 14 -7.423 11.617 -1.446 130 HA ILE 14 HA ILE 14 -9.268 13.326 -2.831 131 HB ILE 14 HB ILE 14 -9.669 10.759 -1.149 132 1HG1 ILE 14 1HG1 ILE 14 -8.176 10.292 -2.907 133 2HG1 ILE 14 2HG1 ILE 14 -9.739 9.682 -3.420 134 1HG2 ILE 14 1HG2 ILE 14 -11.751 10.422 -2.485 135 2HG2 ILE 14 2HG2 ILE 14 -11.871 11.846 -1.449 136 3HG2 ILE 14 3HG2 ILE 14 -11.583 12.037 -3.185 137 1HD1 ILE 14 1HD1 ILE 14 -9.980 11.940 -4.709 138 2HD1 ILE 14 2HD1 ILE 14 -8.241 12.147 -4.382 139 3HD1 ILE 14 3HD1 ILE 14 -8.813 10.775 -5.325 140 H LYS 15 H LYS 15 -9.123 12.392 0.507 141 HA LYS 15 HA LYS 15 -11.167 14.023 1.557 142 1HB LYS 15 1HB LYS 15 -9.343 12.322 2.668 143 2HB LYS 15 2HB LYS 15 -8.620 13.843 3.130 144 1HG LYS 15 1HG LYS 15 -9.964 13.268 4.940 145 2HG LYS 15 2HG LYS 15 -11.014 14.407 4.081 146 1HD LYS 15 1HD LYS 15 -12.221 12.483 3.032 147 2HD LYS 15 2HD LYS 15 -11.066 11.351 3.755 148 1HE LYS 15 1HE LYS 15 -11.796 12.065 6.035 149 2HE LYS 15 2HE LYS 15 -13.023 13.112 5.294 150 1HZ LYS 15 1HZ LYS 15 -13.979 11.150 4.300 151 2HZ LYS 15 2HZ LYS 15 -12.826 10.193 4.985 152 3HZ LYS 15 3HZ LYS 15 -13.905 10.989 5.939 153 H GLN 16 H GLN 16 -7.700 14.946 1.183 154 HA GLN 16 HA GLN 16 -8.052 17.638 2.136 155 1HB GLN 16 1HB GLN 16 -5.900 16.210 0.538 156 2HB GLN 16 2HB GLN 16 -5.813 17.945 0.799 157 1HG GLN 16 1HG GLN 16 -6.104 15.983 3.110 158 2HG GLN 16 2HG GLN 16 -4.540 16.520 2.484 159 1HE2 GLN 16 2HE2 GLN 16 -4.452 19.103 2.230 160 2HE2 GLN 16 1HE2 GLN 16 -5.072 19.948 3.639 161 H TYR 17 H TYR 17 -8.370 16.129 -1.017 162 HA TYR 17 HA TYR 17 -8.302 18.584 -2.557 163 1HB TYR 17 1HB TYR 17 -8.854 15.660 -3.031 164 2HB TYR 17 2HB TYR 17 -9.759 16.735 -4.005 165 HD1 TYR 17 HD1 TYR 17 -6.623 15.049 -3.823 166 HD2 TYR 17 HD2 TYR 17 -8.820 18.298 -5.616 167 HE1 TYR 17 HE1 TYR 17 -5.129 15.009 -5.764 168 HE2 TYR 17 HE2 TYR 17 -7.262 18.306 -7.510 169 HH TYR 17 HH TYR 17 -5.300 17.341 -8.427 170 H ARG 18 H ARG 18 -10.736 16.782 -0.754 171 HA ARG 18 HA ARG 18 -12.990 18.340 -1.815 172 1HB ARG 18 1HB ARG 18 -12.776 16.460 0.562 173 2HB ARG 18 2HB ARG 18 -14.230 17.361 0.104 174 1HG ARG 18 1HG ARG 18 -14.305 16.233 -2.075 175 2HG ARG 18 2HG ARG 18 -12.817 15.357 -1.698 176 1HD ARG 18 1HD ARG 18 -14.732 13.918 -1.338 177 2HD ARG 18 2HD ARG 18 -13.938 14.213 0.198 178 HE ARG 18 HE ARG 18 -16.583 15.163 -0.756 179 1HH1 ARG 18 1HH2 ARG 18 -14.176 15.397 1.820 180 2HH1 ARG 18 2HH2 ARG 18 -15.292 16.011 3.005 181 1HH2 ARG 18 1HH1 ARG 18 -18.040 15.990 0.756 182 2HH2 ARG 18 2HH1 ARG 18 -17.537 16.374 2.378 183 H GLU 19 H GLU 19 -10.990 18.229 1.072 184 HA GLU 19 HA GLU 19 -12.163 20.380 2.481 185 1HB GLU 19 1HB GLU 19 -10.307 18.795 3.287 186 2HB GLU 19 2HB GLU 19 -9.181 19.868 2.432 187 1HG GLU 19 1HG GLU 19 -10.054 21.792 3.782 188 2HG GLU 19 2HG GLU 19 -11.104 20.665 4.656 189 H ALA 20 H ALA 20 -9.661 20.394 -0.117 190 HA ALA 20 HA ALA 20 -9.436 23.327 0.051 191 1HB ALA 20 1HB ALA 20 -7.526 21.964 -0.548 192 2HB ALA 20 2HB ALA 20 -8.345 21.404 -2.026 193 3HB ALA 20 3HB ALA 20 -7.925 23.124 -1.828 194 H LEU 21 H LEU 21 -11.263 21.018 -1.989 195 HA LEU 21 HA LEU 21 -12.054 22.518 -4.087 196 1HB LEU 21 1HB LEU 21 -12.843 20.222 -3.655 197 2HB LEU 21 2HB LEU 21 -13.845 20.812 -2.323 198 HG LEU 21 HG LEU 21 -15.213 22.150 -3.928 199 1HD1 LEU 21 1HD1 LEU 21 -13.609 22.460 -5.745 200 2HD1 LEU 21 2HD1 LEU 21 -13.457 20.710 -5.951 201 3HD1 LEU 21 3HD1 LEU 21 -14.981 21.539 -6.359 202 1HD2 LEU 21 1HD2 LEU 21 -14.993 19.147 -4.312 203 2HD2 LEU 21 2HD2 LEU 21 -15.941 20.010 -3.094 204 3HD2 LEU 21 3HD2 LEU 21 -16.386 20.156 -4.798 205 H GLU 22 H GLU 22 -13.474 22.806 -0.847 206 HA GLU 22 HA GLU 22 -15.567 24.683 -1.610 207 1HB GLU 22 1HB GLU 22 -15.836 24.936 0.870 208 2HB GLU 22 2HB GLU 22 -16.139 23.328 0.195 209 1HG GLU 22 1HG GLU 22 -14.029 22.487 0.976 210 2HG GLU 22 2HG GLU 22 -13.494 24.113 1.453 211 H TYR 23 H TYR 23 -12.271 24.951 -0.454 212 HA TYR 23 HA TYR 23 -12.450 27.817 0.092 213 1HB TYR 23 1HB TYR 23 -10.275 25.683 0.028 214 2HB TYR 23 2HB TYR 23 -9.926 27.363 0.260 215 HD1 TYR 23 HD1 TYR 23 -13.076 26.638 1.917 216 HD2 TYR 23 HD2 TYR 23 -8.803 26.110 2.292 217 HE1 TYR 23 HE1 TYR 23 -13.317 26.416 4.329 218 HE2 TYR 23 HE2 TYR 23 -9.054 26.001 4.756 219 HH TYR 23 HH TYR 23 -12.251 26.128 6.337 220 H VAL 24 H VAL 24 -11.471 25.671 -2.551 221 HA VAL 24 HA VAL 24 -10.270 27.925 -4.038 222 HB VAL 24 HB VAL 24 -10.535 24.976 -4.719 223 1HG1 VAL 24 1HG1 VAL 24 -10.343 26.198 -6.811 224 2HG1 VAL 24 2HG1 VAL 24 -9.112 27.283 -6.130 225 3HG1 VAL 24 3HG1 VAL 24 -8.730 25.581 -6.425 226 1HG2 VAL 24 1HG2 VAL 24 -8.124 26.641 -3.857 227 2HG2 VAL 24 2HG2 VAL 24 -8.986 25.530 -2.784 228 3HG2 VAL 24 3HG2 VAL 24 -8.137 24.901 -4.201 229 H LYS 25 H LYS 25 -13.274 26.110 -4.041 230 HA LYS 25 HA LYS 25 -15.214 26.336 -5.140 231 1HB LYS 25 1HB LYS 25 -14.246 29.191 -5.577 232 2HB LYS 25 2HB LYS 25 -15.911 28.623 -5.747 233 1HG LYS 25 1HG LYS 25 -16.022 28.012 -3.396 234 2HG LYS 25 2HG LYS 25 -14.328 28.454 -3.140 235 1HD LYS 25 1HD LYS 25 -14.676 30.738 -3.478 236 2HD LYS 25 2HD LYS 25 -16.247 30.523 -4.262 237 1HE LYS 25 1HE LYS 25 -15.721 29.818 -1.335 238 2HE LYS 25 2HE LYS 25 -16.334 31.393 -1.872 239 1HZ LYS 25 1HZ LYS 25 -18.199 30.276 -2.859 240 2HZ LYS 25 2HZ LYS 25 -17.654 28.813 -2.334 241 3HZ LYS 25 3HZ LYS 25 -18.113 29.958 -1.243 242 H LEU 26 H LEU 26 -13.065 25.232 -6.727 243 HA LEU 26 HA LEU 26 -13.977 26.027 -9.467 244 1HB LEU 26 1HB LEU 26 -11.562 26.482 -9.026 245 2HB LEU 26 2HB LEU 26 -11.346 24.760 -8.705 246 HG LEU 26 HG LEU 26 -12.354 24.413 -11.106 247 1HD1 LEU 26 1HD1 LEU 26 -13.038 26.769 -11.533 248 2HD1 LEU 26 2HD1 LEU 26 -11.331 27.262 -11.403 249 3HD1 LEU 26 3HD1 LEU 26 -11.850 26.192 -12.710 250 1HD2 LEU 26 1HD2 LEU 26 -9.555 25.589 -10.755 251 2HD2 LEU 26 2HD2 LEU 26 -9.996 23.877 -10.624 252 3HD2 LEU 26 3HD2 LEU 26 -10.143 24.705 -12.172 253 HA PRO 27 HA PRO 27 -15.777 21.890 -8.829 254 1HB PRO 27 1HB PRO 27 -16.885 21.479 -11.324 255 2HB PRO 27 2HB PRO 27 -17.629 22.470 -10.039 256 1HG PRO 27 1HG PRO 27 -15.945 23.419 -12.367 257 2HG PRO 27 2HG PRO 27 -17.499 24.088 -11.793 258 1HD PRO 27 1HD PRO 27 -15.145 25.215 -11.112 259 2HD PRO 27 2HD PRO 27 -16.449 25.101 -9.895 260 H VAL 28 H VAL 28 -13.623 22.803 -11.530 261 HA VAL 28 HA VAL 28 -12.898 20.283 -12.432 262 HB VAL 28 HB VAL 28 -11.185 22.697 -12.141 263 1HG1 VAL 28 1HG1 VAL 28 -10.646 20.061 -13.534 264 2HG1 VAL 28 2HG1 VAL 28 -9.797 21.549 -13.963 265 3HG1 VAL 28 3HG1 VAL 28 -9.641 20.907 -12.326 266 1HG2 VAL 28 1HG2 VAL 28 -12.495 21.520 -14.616 267 2HG2 VAL 28 2HG2 VAL 28 -13.084 22.967 -13.746 268 3HG2 VAL 28 3HG2 VAL 28 -11.502 22.984 -14.545 269 H LEU 29 H LEU 29 -11.910 21.757 -9.252 270 HA LEU 29 HA LEU 29 -9.824 19.823 -8.778 271 1HB LEU 29 1HB LEU 29 -11.443 21.807 -7.137 272 2HB LEU 29 2HB LEU 29 -10.868 20.380 -6.328 273 HG LEU 29 HG LEU 29 -8.553 21.010 -7.499 274 1HD1 LEU 29 1HD1 LEU 29 -9.471 22.955 -8.677 275 2HD1 LEU 29 2HD1 LEU 29 -9.954 23.676 -7.125 276 3HD1 LEU 29 3HD1 LEU 29 -8.230 23.448 -7.510 277 1HD2 LEU 29 1HD2 LEU 29 -9.639 22.323 -4.967 278 2HD2 LEU 29 2HD2 LEU 29 -8.905 20.711 -5.074 279 3HD2 LEU 29 3HD2 LEU 29 -7.923 22.147 -5.391 280 H ALA 30 H ALA 30 -13.341 19.998 -8.100 281 HA ALA 30 HA ALA 30 -13.223 17.749 -6.491 282 1HB ALA 30 1HB ALA 30 -15.198 19.279 -6.541 283 2HB ALA 30 2HB ALA 30 -15.643 18.721 -8.152 284 3HB ALA 30 3HB ALA 30 -15.721 17.605 -6.775 285 H LYS 31 H LYS 31 -13.559 18.350 -10.024 286 HA LYS 31 HA LYS 31 -14.421 15.628 -10.756 287 1HB LYS 31 1HB LYS 31 -13.832 18.148 -12.287 288 2HB LYS 31 2HB LYS 31 -13.624 16.599 -13.104 289 1HG LYS 31 1HG LYS 31 -15.842 17.252 -13.571 290 2HG LYS 31 2HG LYS 31 -15.904 15.904 -12.451 291 1HD LYS 31 1HD LYS 31 -15.945 18.106 -10.712 292 2HD LYS 31 2HD LYS 31 -16.764 18.745 -12.131 293 1HE LYS 31 1HE LYS 31 -18.431 17.803 -10.662 294 2HE LYS 31 2HE LYS 31 -18.300 16.702 -12.045 295 1HZ LYS 31 1HZ LYS 31 -16.931 15.276 -10.694 296 2HZ LYS 31 2HZ LYS 31 -16.963 16.342 -9.442 297 3HZ LYS 31 3HZ LYS 31 -18.340 15.574 -9.917 298 H ILE 32 H ILE 32 -11.404 17.404 -10.576 299 HA ILE 32 HA ILE 32 -9.732 15.456 -11.904 300 HB ILE 32 HB ILE 32 -9.329 17.770 -9.991 301 1HG1 ILE 32 1HG1 ILE 32 -8.233 17.083 -12.767 302 2HG1 ILE 32 2HG1 ILE 32 -9.632 18.108 -12.457 303 1HG2 ILE 32 1HG2 ILE 32 -7.657 15.966 -9.286 304 2HG2 ILE 32 2HG2 ILE 32 -6.952 16.167 -10.909 305 3HG2 ILE 32 3HG2 ILE 32 -7.016 17.520 -9.793 306 1HD1 ILE 32 1HD1 ILE 32 -8.091 19.645 -11.125 307 2HD1 ILE 32 2HD1 ILE 32 -6.727 18.677 -11.734 308 3HD1 ILE 32 3HD1 ILE 32 -7.772 19.531 -12.872 309 H LEU 33 H LEU 33 -10.810 16.075 -8.484 310 HA LEU 33 HA LEU 33 -9.255 13.852 -7.608 311 1HB LEU 33 1HB LEU 33 -10.086 14.475 -5.428 312 2HB LEU 33 2HB LEU 33 -10.131 15.979 -6.366 313 HG LEU 33 HG LEU 33 -12.441 15.701 -6.730 314 1HD1 LEU 33 1HD1 LEU 33 -13.421 13.691 -6.413 315 2HD1 LEU 33 2HD1 LEU 33 -12.067 13.113 -5.396 316 3HD1 LEU 33 3HD1 LEU 33 -13.384 14.078 -4.695 317 1HD2 LEU 33 1HD2 LEU 33 -11.606 15.690 -3.854 318 2HD2 LEU 33 2HD2 LEU 33 -11.583 17.091 -4.983 319 3HD2 LEU 33 3HD2 LEU 33 -13.122 16.374 -4.492 320 H GLU 34 H GLU 34 -12.572 14.079 -8.799 321 HA GLU 34 HA GLU 34 -13.472 11.580 -7.909 322 1HB GLU 34 1HB GLU 34 -14.738 13.462 -9.151 323 2HB GLU 34 2HB GLU 34 -14.142 12.740 -10.642 324 1HG GLU 34 1HG GLU 34 -15.183 10.557 -9.972 325 2HG GLU 34 2HG GLU 34 -15.855 11.350 -8.537 326 H ASP 35 H ASP 35 -11.825 12.480 -10.918 327 HA ASP 35 HA ASP 35 -11.787 9.899 -12.075 328 1HB ASP 35 1HB ASP 35 -10.950 12.320 -12.977 329 2HB ASP 35 2HB ASP 35 -9.387 11.598 -12.540 330 H GLU 36 H GLU 36 -9.322 11.498 -10.017 331 HA GLU 36 HA GLU 36 -7.476 9.349 -9.855 332 1HB GLU 36 1HB GLU 36 -8.213 11.317 -7.647 333 2HB GLU 36 2HB GLU 36 -6.743 10.342 -7.730 334 1HG GLU 36 1HG GLU 36 -7.450 12.429 -9.828 335 2HG GLU 36 2HG GLU 36 -6.509 12.779 -8.377 336 H GLU 37 H GLU 37 -10.441 10.032 -7.889 337 HA GLU 37 HA GLU 37 -10.215 8.100 -5.994 338 1HB GLU 37 1HB GLU 37 -12.028 9.981 -6.694 339 2HB GLU 37 2HB GLU 37 -12.936 8.564 -7.198 340 1HG GLU 37 1HG GLU 37 -11.619 8.923 -4.467 341 2HG GLU 37 2HG GLU 37 -13.188 9.587 -4.897 342 H LYS 38 H LYS 38 -11.211 7.624 -9.389 343 HA LYS 38 HA LYS 38 -12.015 4.880 -9.009 344 1HB LYS 38 1HB LYS 38 -12.623 6.456 -10.953 345 2HB LYS 38 2HB LYS 38 -10.956 6.290 -11.491 346 1HG LYS 38 1HG LYS 38 -11.950 4.767 -12.855 347 2HG LYS 38 2HG LYS 38 -11.474 3.693 -11.544 348 1HD LYS 38 1HD LYS 38 -14.247 4.896 -12.041 349 2HD LYS 38 2HD LYS 38 -13.744 3.224 -12.340 350 1HE LYS 38 1HE LYS 38 -13.249 3.031 -9.839 351 2HE LYS 38 2HE LYS 38 -14.075 4.599 -9.642 352 1HZ LYS 38 1HZ LYS 38 -16.022 3.633 -10.583 353 2HZ LYS 38 2HZ LYS 38 -15.267 2.173 -10.756 354 3HZ LYS 38 3HZ LYS 38 -15.519 2.795 -9.254 355 H HIS 39 H HIS 39 -8.889 6.354 -9.931 356 HA HIS 39 HA HIS 39 -7.557 3.794 -10.318 357 1HB HIS 39 1HB HIS 39 -6.520 6.579 -9.606 358 2HB HIS 39 2HB HIS 39 -5.509 5.157 -9.825 359 HD1 HIS 39 HD1 HIS 39 -4.668 7.139 -11.802 360 HD2 HIS 39 HD2 HIS 39 -8.020 4.642 -12.423 361 HE1 HIS 39 HE1 HIS 39 -4.958 6.878 -14.333 362 HE2 HIS 39 HE2 HIS 39 -7.036 5.442 -14.698 363 H ILE 40 H ILE 40 -8.038 5.967 -7.564 364 HA ILE 40 HA ILE 40 -6.434 4.489 -5.717 365 HB ILE 40 HB ILE 40 -8.741 6.416 -5.291 366 1HG1 ILE 40 1HG1 ILE 40 -5.749 6.896 -5.126 367 2HG1 ILE 40 2HG1 ILE 40 -6.551 7.134 -6.633 368 1HG2 ILE 40 1HG2 ILE 40 -8.286 5.122 -3.222 369 2HG2 ILE 40 2HG2 ILE 40 -6.553 5.458 -3.395 370 3HG2 ILE 40 3HG2 ILE 40 -7.694 6.770 -3.033 371 1HD1 ILE 40 1HD1 ILE 40 -8.049 8.779 -5.763 372 2HD1 ILE 40 2HD1 ILE 40 -7.347 8.658 -4.149 373 3HD1 ILE 40 3HD1 ILE 40 -6.367 9.261 -5.501 374 H GLU 41 H GLU 41 -9.873 4.317 -6.642 375 HA GLU 41 HA GLU 41 -10.767 2.405 -4.793 376 1HB GLU 41 1HB GLU 41 -12.157 3.742 -6.507 377 2HB GLU 41 2HB GLU 41 -11.611 2.564 -7.716 378 1HG GLU 41 1HG GLU 41 -12.558 0.765 -6.141 379 2HG GLU 41 2HG GLU 41 -13.326 2.107 -5.271 380 H TRP 42 H TRP 42 -9.004 2.067 -7.931 381 HA TRP 42 HA TRP 42 -9.130 -0.657 -8.218 382 1HB TRP 42 1HB TRP 42 -8.024 1.259 -9.626 383 2HB TRP 42 2HB TRP 42 -6.562 0.812 -8.750 384 HD1 TRP 42 HD1 TRP 42 -8.971 -0.529 -11.337 385 HE1 TRP 42 HE1 TRP 42 -8.010 -2.679 -12.381 386 HE3 TRP 42 HE3 TRP 42 -5.039 -1.114 -8.259 387 HZ2 TRP 42 HZ2 TRP 42 -5.785 -4.509 -11.836 388 HZ3 TRP 42 HZ3 TRP 42 -3.442 -3.054 -8.521 389 HH2 TRP 42 HH2 TRP 42 -3.889 -4.793 -10.242 390 H LEU 43 H LEU 43 -7.017 1.237 -6.054 391 HA LEU 43 HA LEU 43 -5.530 -1.125 -5.157 392 1HB LEU 43 1HB LEU 43 -5.671 1.674 -3.996 393 2HB LEU 43 2HB LEU 43 -4.699 0.347 -3.364 394 HG LEU 43 HG LEU 43 -4.027 0.378 -6.096 395 1HD1 LEU 43 1HD1 LEU 43 -5.091 2.587 -6.361 396 2HD1 LEU 43 2HD1 LEU 43 -4.124 3.236 -5.025 397 3HD1 LEU 43 3HD1 LEU 43 -3.334 2.709 -6.521 398 1HD2 LEU 43 1HD2 LEU 43 -2.583 1.640 -3.729 399 2HD2 LEU 43 2HD2 LEU 43 -2.474 -0.057 -4.247 400 3HD2 LEU 43 3HD2 LEU 43 -1.848 1.223 -5.291 401 H GLU 44 H GLU 44 -8.557 0.381 -4.137 402 HA GLU 44 HA GLU 44 -8.631 -1.004 -1.533 403 1HB GLU 44 1HB GLU 44 -10.544 0.701 -3.155 404 2HB GLU 44 2HB GLU 44 -11.196 -0.318 -1.877 405 1HG GLU 44 1HG GLU 44 -8.823 1.399 -1.244 406 2HG GLU 44 2HG GLU 44 -10.414 2.166 -1.355 407 H THR 45 H THR 45 -9.350 -1.620 -4.655 408 HA THR 45 HA THR 45 -11.190 -3.930 -4.097 409 HB THR 45 HB THR 45 -11.487 -1.892 -5.815 410 HG1 THR 45 HG1 THR 45 -12.546 -4.512 -6.124 411 1HG2 THR 45 1HG2 THR 45 -9.761 -2.634 -7.410 412 2HG2 THR 45 2HG2 THR 45 -10.671 -4.141 -7.674 413 3HG2 THR 45 3HG2 THR 45 -11.383 -2.570 -8.101 414 H ILE 46 H ILE 46 -8.269 -3.204 -5.801 415 HA ILE 46 HA ILE 46 -6.876 -4.502 -7.124 416 HB ILE 46 HB ILE 46 -5.835 -4.011 -5.152 417 1HG1 ILE 46 1HG1 ILE 46 -4.284 -5.765 -4.660 418 2HG1 ILE 46 2HG1 ILE 46 -5.291 -6.994 -5.416 419 1HG2 ILE 46 1HG2 ILE 46 -7.479 -4.334 -3.528 420 2HG2 ILE 46 2HG2 ILE 46 -7.499 -6.092 -3.768 421 3HG2 ILE 46 3HG2 ILE 46 -6.089 -5.270 -3.030 422 1HD1 ILE 46 1HD1 ILE 46 -5.075 -5.842 -7.603 423 2HD1 ILE 46 2HD1 ILE 46 -4.208 -4.508 -6.809 424 3HD1 ILE 46 3HD1 ILE 46 -3.466 -6.120 -6.910 425 H LEU 47 H LEU 47 -8.638 -5.436 -8.352 426 HA LEU 47 HA LEU 47 -9.559 -7.062 -9.545 427 1HB LEU 47 1HB LEU 47 -6.958 -7.719 -9.544 428 2HB LEU 47 2HB LEU 47 -7.569 -9.133 -8.688 429 HG LEU 47 HG LEU 47 -9.369 -9.093 -10.729 430 1HD1 LEU 47 1HD1 LEU 47 -8.379 -7.003 -11.702 431 2HD1 LEU 47 2HD1 LEU 47 -6.857 -7.883 -11.962 432 3HD1 LEU 47 3HD1 LEU 47 -8.331 -8.382 -12.817 433 1HD2 LEU 47 1HD2 LEU 47 -6.554 -10.218 -10.957 434 2HD2 LEU 47 2HD2 LEU 47 -7.960 -11.006 -10.205 435 3HD2 LEU 47 3HD2 LEU 47 -7.955 -10.690 -11.946 436 H GLY 48 H GLY 48 -10.147 -6.968 -6.496 437 1HA GLY 48 1HA GLY 48 -12.050 -9.231 -6.581 438 2HA GLY 48 2HA GLY 48 -11.013 -8.981 -5.154 439 1HN NH2 49 1HN NH2 49 -12.841 -8.392 -3.814 440 2HN NH2 49 2HN NH2 49 -13.648 -6.813 -4.011 441 1H ACE 0 H1 ACE 0 1.450 28.355 -1.030 442 2H ACE 0 H2 ACE 0 0.238 29.438 -0.311 443 3H ACE 0 H3 ACE 0 1.559 28.783 0.689 444 H ASP 1 H ASP 1 -0.816 28.398 1.732 445 HA ASP 1 HA ASP 1 -0.847 25.894 2.567 446 1HB ASP 1 1HB ASP 1 -2.186 27.664 3.560 447 2HB ASP 1 2HB ASP 1 -3.345 27.582 2.220 448 H TYR 2 H TYR 2 -3.060 26.862 -0.099 449 HA TYR 2 HA TYR 2 -4.194 24.277 -0.591 450 1HB TYR 2 1HB TYR 2 -3.805 26.708 -2.360 451 2HB TYR 2 2HB TYR 2 -4.902 25.369 -2.628 452 HD1 TYR 2 HD1 TYR 2 -6.113 27.890 -2.853 453 HD2 TYR 2 HD2 TYR 2 -5.344 25.703 0.797 454 HE1 TYR 2 HE1 TYR 2 -7.762 29.286 -1.632 455 HE2 TYR 2 HE2 TYR 2 -6.765 27.254 2.029 456 HH TYR 2 HH TYR 2 -8.324 28.954 1.877 457 H LEU 3 H LEU 3 -1.234 25.849 -1.853 458 HA LEU 3 HA LEU 3 -0.801 23.498 -3.577 459 1HB LEU 3 1HB LEU 3 0.315 26.289 -3.896 460 2HB LEU 3 2HB LEU 3 0.477 24.942 -5.032 461 HG LEU 3 HG LEU 3 -2.122 26.383 -4.322 462 1HD1 LEU 3 1HD1 LEU 3 -0.558 27.692 -5.720 463 2HD1 LEU 3 2HD1 LEU 3 -0.469 26.346 -6.878 464 3HD1 LEU 3 3HD1 LEU 3 -2.002 27.207 -6.627 465 1HD2 LEU 3 1HD2 LEU 3 -1.593 24.107 -6.289 466 2HD2 LEU 3 2HD2 LEU 3 -2.631 24.030 -4.848 467 3HD2 LEU 3 3HD2 LEU 3 -3.088 25.058 -6.208 468 H ARG 4 H ARG 4 -0.033 23.768 -0.649 469 HA ARG 4 HA ARG 4 2.876 23.122 -1.101 470 1HB ARG 4 1HB ARG 4 3.322 23.610 1.169 471 2HB ARG 4 2HB ARG 4 2.505 25.012 0.454 472 1HG ARG 4 1HG ARG 4 0.412 24.351 1.483 473 2HG ARG 4 2HG ARG 4 1.105 22.861 2.130 474 1HD ARG 4 1HD ARG 4 2.655 24.170 3.514 475 2HD ARG 4 2HD ARG 4 1.880 25.679 2.952 476 HE ARG 4 HE ARG 4 -0.206 24.069 3.833 477 1HH1 ARG 4 1HH2 ARG 4 2.708 25.366 5.325 478 2HH1 ARG 4 2HH2 ARG 4 2.093 25.261 6.953 479 1HH2 ARG 4 1HH1 ARG 4 -1.043 23.948 5.888 480 2HH2 ARG 4 2HH1 ARG 4 -0.116 24.407 7.288 481 H GLU 5 H GLU 5 -0.108 21.647 -0.735 482 HA GLU 5 HA GLU 5 1.141 19.182 0.415 483 1HB GLU 5 1HB GLU 5 -1.151 20.815 1.483 484 2HB GLU 5 2HB GLU 5 -1.249 19.056 1.617 485 1HG GLU 5 1HG GLU 5 0.565 18.872 3.043 486 2HG GLU 5 2HG GLU 5 1.344 20.339 2.469 487 H LEU 6 H LEU 6 -1.752 20.563 -1.216 488 HA LEU 6 HA LEU 6 -2.880 18.122 -2.019 489 1HB LEU 6 1HB LEU 6 -2.915 20.878 -3.249 490 2HB LEU 6 2HB LEU 6 -3.887 19.552 -3.873 491 HG LEU 6 HG LEU 6 -5.285 19.418 -1.981 492 1HD1 LEU 6 1HD1 LEU 6 -3.763 19.716 -0.112 493 2HD1 LEU 6 2HD1 LEU 6 -3.541 21.435 -0.517 494 3HD1 LEU 6 3HD1 LEU 6 -5.121 20.831 -0.001 495 1HD2 LEU 6 1HD2 LEU 6 -4.784 22.020 -3.343 496 2HD2 LEU 6 2HD2 LEU 6 -6.257 21.061 -3.187 497 3HD2 LEU 6 3HD2 LEU 6 -5.723 22.133 -1.868 498 H LEU 7 H LEU 7 0.023 19.577 -3.216 499 HA LEU 7 HA LEU 7 0.016 17.684 -5.423 500 1HB LEU 7 1HB LEU 7 1.063 18.982 -6.903 501 2HB LEU 7 2HB LEU 7 -0.012 20.132 -6.131 502 HG LEU 7 HG LEU 7 2.952 19.851 -5.419 503 1HD1 LEU 7 1HD1 LEU 7 2.756 20.347 -7.794 504 2HD1 LEU 7 2HD1 LEU 7 1.625 21.673 -7.456 505 3HD1 LEU 7 3HD1 LEU 7 3.313 21.776 -6.911 506 1HD2 LEU 7 1HD2 LEU 7 0.953 22.133 -5.043 507 2HD2 LEU 7 2HD2 LEU 7 1.512 21.062 -3.738 508 3HD2 LEU 7 3HD2 LEU 7 2.662 22.131 -4.561 509 H LYS 8 H LYS 8 2.034 19.161 -2.881 510 HA LYS 8 HA LYS 8 4.336 17.706 -3.489 511 1HB LYS 8 1HB LYS 8 3.345 19.059 -0.974 512 2HB LYS 8 2HB LYS 8 4.825 18.096 -0.960 513 1HG LYS 8 1HG LYS 8 5.803 19.437 -2.761 514 2HG LYS 8 2HG LYS 8 4.357 20.465 -2.826 515 1HD LYS 8 1HD LYS 8 4.753 21.281 -0.587 516 2HD LYS 8 2HD LYS 8 5.989 20.061 -0.269 517 1HE LYS 8 1HE LYS 8 7.491 21.140 -1.888 518 2HE LYS 8 2HE LYS 8 6.218 22.293 -2.344 519 1HZ LYS 8 1HZ LYS 8 6.246 23.131 -0.122 520 2HZ LYS 8 2HZ LYS 8 7.399 22.048 0.336 521 3HZ LYS 8 3HZ LYS 8 7.759 23.219 -0.768 522 H LEU 9 H LEU 9 1.519 16.956 -1.426 523 HA LEU 9 HA LEU 9 2.641 14.529 -0.369 524 1HB LEU 9 1HB LEU 9 -0.269 15.318 -0.729 525 2HB LEU 9 2HB LEU 9 0.334 13.970 0.252 526 HG LEU 9 HG LEU 9 1.060 16.862 0.844 527 1HD1 LEU 9 1HD1 LEU 9 -1.383 16.562 0.993 528 2HD1 LEU 9 2HD1 LEU 9 -1.161 15.132 2.014 529 3HD1 LEU 9 3HD1 LEU 9 -0.675 16.727 2.610 530 1HD2 LEU 9 1HD2 LEU 9 1.255 14.299 2.484 531 2HD2 LEU 9 2HD2 LEU 9 2.616 15.226 1.814 532 3HD2 LEU 9 3HD2 LEU 9 1.602 15.934 3.077 533 H GLU 10 H GLU 10 1.060 15.336 -3.456 534 HA GLU 10 HA GLU 10 0.647 12.525 -4.271 535 1HB GLU 10 1HB GLU 10 1.013 14.993 -5.997 536 2HB GLU 10 2HB GLU 10 0.194 13.473 -6.363 537 1HG GLU 10 1HG GLU 10 -0.855 15.555 -4.412 538 2HG GLU 10 2HG GLU 10 -1.254 15.532 -6.127 539 H LEU 11 H LEU 11 3.107 15.093 -4.730 540 HA LEU 11 HA LEU 11 4.649 13.774 -6.608 541 1HB LEU 11 1HB LEU 11 4.819 16.126 -5.712 542 2HB LEU 11 2HB LEU 11 5.779 15.519 -4.363 543 HG LEU 11 HG LEU 11 6.549 15.070 -7.284 544 1HD1 LEU 11 1HD1 LEU 11 6.278 17.485 -6.914 545 2HD1 LEU 11 2HD1 LEU 11 7.306 17.398 -5.467 546 3HD1 LEU 11 3HD1 LEU 11 7.991 17.070 -7.074 547 1HD2 LEU 11 1HD2 LEU 11 8.162 15.078 -4.683 548 2HD2 LEU 11 2HD2 LEU 11 7.829 13.665 -5.709 549 3HD2 LEU 11 3HD2 LEU 11 8.860 14.959 -6.310 550 H GLN 12 H GLN 12 5.055 13.582 -3.030 551 HA GLN 12 HA GLN 12 7.121 11.597 -3.115 552 1HB GLN 12 1HB GLN 12 6.506 11.105 -0.776 553 2HB GLN 12 2HB GLN 12 6.694 12.841 -1.074 554 1HG GLN 12 1HG GLN 12 4.275 13.127 -1.183 555 2HG GLN 12 2HG GLN 12 4.014 11.381 -0.996 556 1HE2 GLN 12 2HE2 GLN 12 2.595 12.148 0.759 557 2HE2 GLN 12 1HE2 GLN 12 3.342 12.396 2.337 558 H LEU 13 H LEU 13 3.679 11.341 -3.535 559 HA LEU 13 HA LEU 13 3.385 8.540 -2.905 560 1HB LEU 13 1HB LEU 13 1.372 9.416 -2.469 561 2HB LEU 13 2HB LEU 13 1.709 10.834 -3.382 562 HG LEU 13 HG LEU 13 0.958 9.934 -5.397 563 1HD1 LEU 13 1HD1 LEU 13 1.368 7.396 -5.128 564 2HD1 LEU 13 2HD1 LEU 13 0.326 7.417 -3.699 565 3HD1 LEU 13 3HD1 LEU 13 -0.357 7.695 -5.300 566 1HD2 LEU 13 1HD2 LEU 13 -1.080 9.336 -3.256 567 2HD2 LEU 13 2HD2 LEU 13 -0.595 10.943 -3.833 568 3HD2 LEU 13 3HD2 LEU 13 -1.359 9.832 -4.950 569 H ILE 14 H ILE 14 3.454 10.504 -5.953 570 HA ILE 14 HA ILE 14 3.435 8.275 -7.741 571 HB ILE 14 HB ILE 14 4.164 11.183 -7.868 572 1HG1 ILE 14 1HG1 ILE 14 2.560 11.160 -9.688 573 2HG1 ILE 14 2HG1 ILE 14 2.535 9.397 -9.737 574 1HG2 ILE 14 1HG2 ILE 14 6.077 10.313 -9.084 575 2HG2 ILE 14 2HG2 ILE 14 5.035 9.211 -10.013 576 3HG2 ILE 14 3HG2 ILE 14 4.911 10.962 -10.228 577 1HD1 ILE 14 1HD1 ILE 14 1.316 9.263 -7.666 578 2HD1 ILE 14 2HD1 ILE 14 1.660 10.945 -7.276 579 3HD1 ILE 14 3HD1 ILE 14 0.558 10.550 -8.602 580 H LYS 15 H LYS 15 6.122 9.901 -6.082 581 HA LYS 15 HA LYS 15 8.179 8.279 -7.188 582 1HB LYS 15 1HB LYS 15 8.007 10.408 -5.359 583 2HB LYS 15 2HB LYS 15 8.504 9.066 -4.359 584 1HG LYS 15 1HG LYS 15 10.484 10.154 -5.134 585 2HG LYS 15 2HG LYS 15 10.380 8.666 -6.094 586 1HD LYS 15 1HD LYS 15 9.369 9.984 -7.981 587 2HD LYS 15 2HD LYS 15 9.398 11.439 -6.975 588 1HE LYS 15 1HE LYS 15 11.877 11.325 -6.868 589 2HE LYS 15 2HE LYS 15 11.856 9.853 -7.859 590 1HZ LYS 15 1HZ LYS 15 10.861 11.125 -9.617 591 2HZ LYS 15 2HZ LYS 15 10.868 12.490 -8.695 592 3HZ LYS 15 3HZ LYS 15 12.291 11.802 -9.156 593 H GLN 16 H GLN 16 6.123 7.838 -4.260 594 HA GLN 16 HA GLN 16 7.351 5.321 -3.543 595 1HB GLN 16 1HB GLN 16 4.738 6.665 -2.802 596 2HB GLN 16 2HB GLN 16 5.176 5.064 -2.205 597 1HG GLN 16 1HG GLN 16 7.063 7.439 -1.891 598 2HG GLN 16 2HG GLN 16 5.801 7.090 -0.717 599 1HE2 GLN 16 2HE2 GLN 16 9.041 6.424 -1.533 600 2HE2 GLN 16 1HE2 GLN 16 9.222 4.955 -0.598 601 H TYR 17 H TYR 17 4.709 6.155 -5.730 602 HA TYR 17 HA TYR 17 3.705 3.521 -6.141 603 1HB TYR 17 1HB TYR 17 3.660 6.139 -7.627 604 2HB TYR 17 2HB TYR 17 3.335 4.726 -8.569 605 HD1 TYR 17 HD1 TYR 17 1.553 7.144 -8.100 606 HD2 TYR 17 HD2 TYR 17 1.642 3.110 -6.671 607 HE1 TYR 17 HE1 TYR 17 -0.895 7.206 -7.825 608 HE2 TYR 17 HE2 TYR 17 -0.829 3.126 -6.493 609 HH TYR 17 HH TYR 17 -2.707 6.085 -6.755 610 H ARG 18 H ARG 18 6.658 5.125 -7.193 611 HA ARG 18 HA ARG 18 7.117 3.207 -9.350 612 1HB ARG 18 1HB ARG 18 8.944 5.283 -8.146 613 2HB ARG 18 2HB ARG 18 9.463 4.035 -9.275 614 1HG ARG 18 1HG ARG 18 7.311 4.886 -10.676 615 2HG ARG 18 2HG ARG 18 7.578 6.323 -9.715 616 1HD ARG 18 1HD ARG 18 8.832 6.517 -11.817 617 2HD ARG 18 2HD ARG 18 10.030 6.197 -10.539 618 HE ARG 18 HE ARG 18 8.915 3.809 -11.825 619 1HH1 ARG 18 1HH2 ARG 18 11.478 6.217 -12.064 620 2HH1 ARG 18 2HH2 ARG 18 12.557 5.191 -12.969 621 1HH2 ARG 18 1HH1 ARG 18 10.271 2.467 -13.013 622 2HH2 ARG 18 2HH1 ARG 18 11.840 3.002 -13.543 623 H GLU 19 H GLU 19 8.225 3.803 -6.092 624 HA GLU 19 HA GLU 19 9.942 1.597 -5.700 625 1HB GLU 19 1HB GLU 19 9.487 3.592 -4.159 626 2HB GLU 19 2HB GLU 19 8.080 2.689 -3.573 627 1HG GLU 19 1HG GLU 19 9.533 0.844 -2.853 628 2HG GLU 19 2HG GLU 19 10.953 1.691 -3.496 629 H ALA 20 H ALA 20 6.399 1.871 -5.263 630 HA ALA 20 HA ALA 20 6.177 -1.092 -4.905 631 1HB ALA 20 1HB ALA 20 5.155 0.115 -3.129 632 2HB ALA 20 2HB ALA 20 4.430 1.265 -4.239 633 3HB ALA 20 3HB ALA 20 3.821 -0.414 -4.156 634 H LEU 21 H LEU 21 6.700 0.352 -7.551 635 HA LEU 21 HA LEU 21 4.475 -0.958 -9.091 636 1HB LEU 21 1HB LEU 21 4.760 1.159 -10.042 637 2HB LEU 21 2HB LEU 21 6.495 1.166 -9.715 638 HG LEU 21 HG LEU 21 6.904 -0.447 -11.530 639 1HD1 LEU 21 1HD1 LEU 21 4.619 -1.513 -11.584 640 2HD1 LEU 21 2HD1 LEU 21 3.975 0.011 -12.219 641 3HD1 LEU 21 3HD1 LEU 21 5.154 -0.915 -13.164 642 1HD2 LEU 21 1HD2 LEU 21 5.418 2.090 -12.276 643 2HD2 LEU 21 2HD2 LEU 21 7.132 1.967 -11.835 644 3HD2 LEU 21 3HD2 LEU 21 6.550 1.187 -13.314 645 H GLU 22 H GLU 22 8.018 -0.602 -8.783 646 HA GLU 22 HA GLU 22 8.625 -2.638 -10.637 647 1HB GLU 22 1HB GLU 22 10.897 -2.635 -9.744 648 2HB GLU 22 2HB GLU 22 10.280 -1.021 -10.131 649 1HG GLU 22 1HG GLU 22 9.801 -0.633 -7.733 650 2HG GLU 22 2HG GLU 22 10.456 -2.237 -7.350 651 H TYR 23 H TYR 23 8.259 -2.695 -7.142 652 HA TYR 23 HA TYR 23 8.819 -5.514 -6.876 653 1HB TYR 23 1HB TYR 23 8.650 -3.244 -5.198 654 2HB TYR 23 2HB TYR 23 7.350 -4.274 -4.670 655 HD1 TYR 23 HD1 TYR 23 10.992 -3.857 -4.980 656 HD2 TYR 23 HD2 TYR 23 7.883 -6.607 -3.809 657 HE1 TYR 23 HE1 TYR 23 12.669 -5.267 -3.819 658 HE2 TYR 23 HE2 TYR 23 9.554 -7.996 -2.632 659 HH TYR 23 HH TYR 23 11.764 -8.232 -2.048 660 H VAL 24 H VAL 24 6.053 -3.841 -7.970 661 HA VAL 24 HA VAL 24 4.222 -6.082 -7.191 662 HB VAL 24 HB VAL 24 3.656 -3.369 -8.422 663 1HG1 VAL 24 1HG1 VAL 24 2.010 -4.910 -9.315 664 2HG1 VAL 24 2HG1 VAL 24 1.831 -5.728 -7.750 665 3HG1 VAL 24 3HG1 VAL 24 1.236 -4.079 -7.959 666 1HG2 VAL 24 1HG2 VAL 24 2.849 -4.607 -5.773 667 2HG2 VAL 24 2HG2 VAL 24 4.193 -3.453 -5.925 668 3HG2 VAL 24 3HG2 VAL 24 2.527 -2.953 -6.281 669 H LYS 25 H LYS 25 5.825 -4.673 -10.011 670 HA LYS 25 HA LYS 25 5.955 -5.284 -12.187 671 1HB LYS 25 1HB LYS 25 5.099 -8.073 -11.286 672 2HB LYS 25 2HB LYS 25 5.697 -7.608 -12.867 673 1HG LYS 25 1HG LYS 25 7.714 -6.684 -11.142 674 2HG LYS 25 2HG LYS 25 7.170 -8.201 -10.409 675 1HD LYS 25 1HD LYS 25 7.329 -9.244 -12.782 676 2HD LYS 25 2HD LYS 25 8.086 -7.728 -13.292 677 1HE LYS 25 1HE LYS 25 9.859 -9.265 -12.874 678 2HE LYS 25 2HE LYS 25 9.869 -8.136 -11.507 679 1HZ LYS 25 1HZ LYS 25 8.668 -9.789 -10.245 680 2HZ LYS 25 2HZ LYS 25 8.638 -10.812 -11.536 681 3HZ LYS 25 3HZ LYS 25 10.073 -10.427 -10.826 682 H LEU 26 H LEU 26 3.830 -3.777 -11.886 683 HA LEU 26 HA LEU 26 1.814 -5.117 -13.628 684 1HB LEU 26 1HB LEU 26 0.996 -5.145 -11.312 685 2HB LEU 26 2HB LEU 26 1.206 -3.392 -11.227 686 HG LEU 26 HG LEU 26 -0.418 -3.333 -13.282 687 1HD1 LEU 26 1HD1 LEU 26 -0.368 -5.791 -13.762 688 2HD1 LEU 26 2HD1 LEU 26 -1.075 -6.095 -12.166 689 3HD1 LEU 26 3HD1 LEU 26 -2.001 -5.214 -13.396 690 1HD2 LEU 26 1HD2 LEU 26 -1.352 -4.161 -10.506 691 2HD2 LEU 26 2HD2 LEU 26 -1.016 -2.506 -11.061 692 3HD2 LEU 26 3HD2 LEU 26 -2.372 -3.411 -11.754 693 HA PRO 27 HA PRO 27 3.003 -1.312 -15.758 694 1HB PRO 27 1HB PRO 27 1.486 -1.552 -18.036 695 2HB PRO 27 2HB PRO 27 3.006 -2.443 -17.749 696 1HG PRO 27 1HG PRO 27 0.179 -3.432 -17.322 697 2HG PRO 27 2HG PRO 27 1.525 -4.273 -18.143 698 1HD PRO 27 1HD PRO 27 0.867 -4.790 -15.568 699 2HD PRO 27 2HD PRO 27 2.584 -4.777 -16.069 700 H VAL 28 H VAL 28 -0.404 -2.325 -15.247 701 HA VAL 28 HA VAL 28 -1.701 0.125 -15.592 702 HB VAL 28 HB VAL 28 -2.211 -2.042 -13.599 703 1HG1 VAL 28 1HG1 VAL 28 -3.296 -0.081 -12.710 704 2HG1 VAL 28 2HG1 VAL 28 -3.960 0.335 -14.307 705 3HG1 VAL 28 3HG1 VAL 28 -4.528 -1.107 -13.436 706 1HG2 VAL 28 1HG2 VAL 28 -3.583 -1.383 -16.232 707 2HG2 VAL 28 2HG2 VAL 28 -2.452 -2.733 -15.978 708 3HG2 VAL 28 3HG2 VAL 28 -4.008 -2.712 -15.136 709 H LEU 29 H LEU 29 0.331 -0.949 -12.838 710 HA LEU 29 HA LEU 29 -0.390 1.238 -11.111 711 1HB LEU 29 1HB LEU 29 1.361 -1.061 -11.050 712 2HB LEU 29 2HB LEU 29 2.331 0.345 -10.635 713 HG LEU 29 HG LEU 29 -0.375 -0.043 -9.321 714 1HD1 LEU 29 1HD1 LEU 29 0.663 -2.201 -9.087 715 2HD1 LEU 29 2HD1 LEU 29 2.194 -1.467 -8.561 716 3HD1 LEU 29 3HD1 LEU 29 0.749 -1.345 -7.536 717 1HD2 LEU 29 1HD2 LEU 29 2.296 1.080 -8.337 718 2HD2 LEU 29 2HD2 LEU 29 0.975 2.065 -9.010 719 3HD2 LEU 29 3HD2 LEU 29 0.724 1.142 -7.512 720 H ALA 30 H ALA 30 2.215 0.774 -13.514 721 HA ALA 30 HA ALA 30 3.324 3.360 -13.124 722 1HB ALA 30 1HB ALA 30 4.449 1.489 -14.409 723 2HB ALA 30 2HB ALA 30 3.302 1.761 -15.731 724 3HB ALA 30 3HB ALA 30 4.434 3.041 -15.268 725 H LYS 31 H LYS 31 0.569 2.172 -15.015 726 HA LYS 31 HA LYS 31 0.268 4.622 -16.519 727 1HB LYS 31 1HB LYS 31 -0.631 2.304 -17.152 728 2HB LYS 31 2HB LYS 31 -1.912 2.584 -15.953 729 1HG LYS 31 1HG LYS 31 -2.517 4.701 -17.189 730 2HG LYS 31 2HG LYS 31 -1.299 4.291 -18.409 731 1HD LYS 31 1HD LYS 31 -2.503 2.144 -18.862 732 2HD LYS 31 2HD LYS 31 -3.710 2.579 -17.630 733 1HE LYS 31 1HE LYS 31 -4.272 4.644 -18.940 734 2HE LYS 31 2HE LYS 31 -3.120 4.142 -20.192 735 1HZ LYS 31 1HZ LYS 31 -4.437 2.167 -20.508 736 2HZ LYS 31 2HZ LYS 31 -5.504 2.649 -19.347 737 3HZ LYS 31 3HZ LYS 31 -5.347 3.522 -20.734 738 H ILE 32 H ILE 32 -0.833 3.506 -13.363 739 HA ILE 32 HA ILE 32 -2.908 5.519 -13.063 740 HB ILE 32 HB ILE 32 -1.521 3.547 -11.199 741 1HG1 ILE 32 1HG1 ILE 32 -4.461 3.852 -11.954 742 2HG1 ILE 32 2HG1 ILE 32 -3.345 2.825 -12.849 743 1HG2 ILE 32 1HG2 ILE 32 -1.848 5.492 -9.836 744 2HG2 ILE 32 2HG2 ILE 32 -3.454 5.788 -10.510 745 3HG2 ILE 32 3HG2 ILE 32 -3.162 4.396 -9.444 746 1HD1 ILE 32 1HD1 ILE 32 -2.874 1.529 -10.766 747 2HD1 ILE 32 2HD1 ILE 32 -4.114 2.479 -9.918 748 3HD1 ILE 32 3HD1 ILE 32 -4.571 1.459 -11.283 749 H LEU 33 H LEU 33 0.476 4.924 -11.984 750 HA LEU 33 HA LEU 33 0.668 7.382 -10.508 751 1HB LEU 33 1HB LEU 33 2.795 6.738 -10.064 752 2HB LEU 33 2HB LEU 33 2.030 5.197 -10.479 753 HG LEU 33 HG LEU 33 3.090 5.360 -12.692 754 1HD1 LEU 33 1HD1 LEU 33 3.832 7.395 -13.295 755 2HD1 LEU 33 2HD1 LEU 33 4.061 7.923 -11.611 756 3HD1 LEU 33 3HD1 LEU 33 5.278 6.899 -12.420 757 1HD2 LEU 33 1HD2 LEU 33 4.869 5.450 -10.232 758 2HD2 LEU 33 2HD2 LEU 33 3.925 4.039 -10.760 759 3HD2 LEU 33 3HD2 LEU 33 5.253 4.630 -11.771 760 H GLU 34 H GLU 34 1.329 6.585 -13.959 761 HA GLU 34 HA GLU 34 2.405 9.085 -14.695 762 1HB GLU 34 1HB GLU 34 2.263 6.885 -16.025 763 2HB GLU 34 2HB GLU 34 0.654 7.382 -16.512 764 1HG GLU 34 1HG GLU 34 3.219 9.002 -16.933 765 2HG GLU 34 2HG GLU 34 2.497 7.932 -18.140 766 H ASP 35 H ASP 35 -0.960 7.911 -15.004 767 HA ASP 35 HA ASP 35 -2.057 10.317 -16.016 768 1HB ASP 35 1HB ASP 35 -3.177 8.038 -15.858 769 2HB ASP 35 2HB ASP 35 -3.460 8.397 -14.142 770 H GLU 36 H GLU 36 -1.817 9.140 -12.633 771 HA GLU 36 HA GLU 36 -2.926 11.382 -11.347 772 1HB GLU 36 1HB GLU 36 -0.662 9.597 -10.397 773 2HB GLU 36 2HB GLU 36 -1.605 10.704 -9.396 774 1HG GLU 36 1HG GLU 36 -3.329 8.811 -10.895 775 2HG GLU 36 2HG GLU 36 -2.130 7.981 -9.893 776 H GLU 37 H GLU 37 0.472 10.807 -12.551 777 HA GLU 37 HA GLU 37 1.605 13.113 -11.471 778 1HB GLU 37 1HB GLU 37 2.402 10.994 -13.110 779 2HB GLU 37 2HB GLU 37 2.481 12.321 -14.241 780 1HG GLU 37 1HG GLU 37 3.701 12.392 -11.438 781 2HG GLU 37 2HG GLU 37 4.476 11.646 -12.833 782 H LYS 38 H LYS 38 -0.344 12.781 -14.461 783 HA LYS 38 HA LYS 38 0.044 15.515 -15.277 784 1HB LYS 38 1HB LYS 38 -0.907 13.696 -16.721 785 2HB LYS 38 2HB LYS 38 -2.375 13.727 -15.731 786 1HG LYS 38 1HG LYS 38 -2.602 16.207 -16.276 787 2HG LYS 38 2HG LYS 38 -1.255 16.025 -17.408 788 1HD LYS 38 1HD LYS 38 -2.575 14.440 -18.744 789 2HD LYS 38 2HD LYS 38 -3.856 14.418 -17.511 790 1HE LYS 38 1HE LYS 38 -4.250 16.857 -17.862 791 2HE LYS 38 2HE LYS 38 -2.997 16.881 -19.116 792 1HZ LYS 38 1HZ LYS 38 -4.325 15.349 -20.376 793 2HZ LYS 38 2HZ LYS 38 -5.476 15.304 -19.195 794 3HZ LYS 38 3HZ LYS 38 -5.195 16.703 -20.021 795 H HIS 39 H HIS 39 -2.302 13.909 -13.081 796 HA HIS 39 HA HIS 39 -3.897 16.261 -12.641 797 1HB HIS 39 1HB HIS 39 -3.545 13.746 -10.987 798 2HB HIS 39 2HB HIS 39 -4.604 15.069 -10.542 799 HD1 HIS 39 HD1 HIS 39 -6.986 14.140 -11.015 800 HD2 HIS 39 HD2 HIS 39 -4.236 13.499 -14.150 801 HE1 HIS 39 HE1 HIS 39 -8.329 13.369 -13.043 802 HE2 HIS 39 HE2 HIS 39 -6.617 12.828 -14.884 803 H ILE 40 H ILE 40 -0.942 15.027 -11.054 804 HA ILE 40 HA ILE 40 -0.800 17.072 -9.028 805 HB ILE 40 HB ILE 40 1.571 15.709 -10.382 806 1HG1 ILE 40 1HG1 ILE 40 -0.045 14.877 -7.969 807 2HG1 ILE 40 2HG1 ILE 40 -0.052 14.037 -9.484 808 1HG2 ILE 40 1HG2 ILE 40 1.984 17.763 -8.844 809 2HG2 ILE 40 2HG2 ILE 40 1.235 16.817 -7.546 810 3HG2 ILE 40 3HG2 ILE 40 2.744 16.280 -8.292 811 1HD1 ILE 40 1HD1 ILE 40 2.440 13.707 -9.374 812 2HD1 ILE 40 2HD1 ILE 40 2.368 14.220 -7.679 813 3HD1 ILE 40 3HD1 ILE 40 1.446 12.819 -8.217 814 H GLU 41 H GLU 41 0.591 16.767 -12.297 815 HA GLU 41 HA GLU 41 1.941 19.188 -12.439 816 1HB GLU 41 1HB GLU 41 1.961 17.235 -14.106 817 2HB GLU 41 2HB GLU 41 0.426 17.833 -14.723 818 1HG GLU 41 1HG GLU 41 2.322 20.029 -14.645 819 2HG GLU 41 2HG GLU 41 3.041 18.639 -15.464 820 H TRP 42 H TRP 42 -1.559 18.506 -12.992 821 HA TRP 42 HA TRP 42 -2.362 20.944 -13.983 822 1HB TRP 42 1HB TRP 42 -3.597 18.688 -13.388 823 2HB TRP 42 2HB TRP 42 -3.940 19.494 -11.858 824 HD1 TRP 42 HD1 TRP 42 -4.934 19.384 -15.461 825 HE1 TRP 42 HE1 TRP 42 -6.906 20.942 -15.919 826 HE3 TRP 42 HE3 TRP 42 -4.905 21.763 -11.014 827 HZ2 TRP 42 HZ2 TRP 42 -8.185 23.176 -14.511 828 HZ3 TRP 42 HZ3 TRP 42 -6.482 23.659 -10.538 829 HH2 TRP 42 HH2 TRP 42 -7.975 24.482 -12.330 830 H LEU 43 H LEU 43 -1.604 20.023 -10.631 831 HA LEU 43 HA LEU 43 -2.559 22.514 -9.479 832 1HB LEU 43 1HB LEU 43 -0.890 20.231 -8.327 833 2HB LEU 43 2HB LEU 43 -1.330 21.648 -7.408 834 HG LEU 43 HG LEU 43 -3.756 20.509 -8.516 835 1HD1 LEU 43 1HD1 LEU 43 -2.602 18.361 -8.520 836 2HD1 LEU 43 2HD1 LEU 43 -1.931 18.645 -6.907 837 3HD1 LEU 43 3HD1 LEU 43 -3.668 18.400 -7.109 838 1HD2 LEU 43 1HD2 LEU 43 -2.664 20.749 -5.673 839 2HD2 LEU 43 2HD2 LEU 43 -3.574 22.015 -6.525 840 3HD2 LEU 43 3HD2 LEU 43 -4.362 20.480 -6.111 841 H GLU 44 H GLU 44 0.324 21.690 -11.165 842 HA GLU 44 HA GLU 44 1.739 23.927 -9.815 843 1HB GLU 44 1HB GLU 44 3.733 23.045 -10.319 844 2HB GLU 44 2HB GLU 44 2.789 21.556 -10.213 845 1HG GLU 44 1HG GLU 44 2.572 21.615 -12.706 846 2HG GLU 44 2HG GLU 44 3.589 23.067 -12.721 847 H THR 45 H THR 45 0.622 22.801 -12.837 848 HA THR 45 HA THR 45 1.622 24.963 -14.405 849 HB THR 45 HB THR 45 0.618 22.599 -15.056 850 HG1 THR 45 HG1 THR 45 0.591 24.934 -16.660 851 1HG2 THR 45 1HG2 THR 45 -1.754 23.084 -14.614 852 2HG2 THR 45 2HG2 THR 45 -1.721 24.371 -15.842 853 3HG2 THR 45 3HG2 THR 45 -1.432 22.685 -16.304 854 H ILE 46 H ILE 46 -1.518 24.362 -12.945 855 HA ILE 46 HA ILE 46 -3.063 26.503 -13.396 856 HB ILE 46 HB ILE 46 -3.499 24.727 -11.730 857 1HG1 ILE 46 1HG1 ILE 46 -4.609 25.972 -9.972 858 2HG1 ILE 46 2HG1 ILE 46 -3.791 27.469 -10.444 859 1HG2 ILE 46 1HG2 ILE 46 -1.203 24.748 -10.779 860 2HG2 ILE 46 2HG2 ILE 46 -1.634 26.155 -9.806 861 3HG2 ILE 46 3HG2 ILE 46 -2.516 24.648 -9.594 862 1HD1 ILE 46 1HD1 ILE 46 -4.916 27.462 -12.603 863 2HD1 ILE 46 2HD1 ILE 46 -5.521 25.812 -12.336 864 3HD1 ILE 46 3HD1 ILE 46 -6.144 27.161 -11.360 865 H LEU 47 H LEU 47 -0.110 26.742 -11.351 866 HA LEU 47 HA LEU 47 -0.567 29.660 -10.963 867 1HB LEU 47 1HB LEU 47 0.102 28.161 -9.021 868 2HB LEU 47 2HB LEU 47 1.617 27.854 -9.871 869 HG LEU 47 HG LEU 47 1.786 30.529 -9.897 870 1HD1 LEU 47 1HD1 LEU 47 -0.490 30.885 -8.921 871 2HD1 LEU 47 2HD1 LEU 47 0.031 30.031 -7.453 872 3HD1 LEU 47 3HD1 LEU 47 0.801 31.562 -7.914 873 1HD2 LEU 47 1HD2 LEU 47 2.300 28.863 -7.408 874 2HD2 LEU 47 2HD2 LEU 47 3.390 29.047 -8.801 875 3HD2 LEU 47 3HD2 LEU 47 3.020 30.446 -7.780 876 H GLY 48 H GLY 48 1.730 27.273 -12.316 877 1HA GLY 48 1HA GLY 48 3.250 27.467 -14.027 878 2HA GLY 48 2HA GLY 48 2.734 29.133 -14.332 879 1HN NH2 49 1HN NH2 49 3.230 30.628 -12.219 880 2HN NH2 49 2HN NH2 49 4.905 30.477 -11.622 Start of MODEL 4 1 1H ACE 0 H1 ACE 0 0.643 -15.324 -14.047 2 2H ACE 0 H2 ACE 0 0.187 -14.633 -15.622 3 3H ACE 0 H3 ACE 0 -0.584 -14.044 -14.133 4 H ASP 1 H ASP 1 2.701 -14.557 -15.415 5 HA ASP 1 HA ASP 1 4.348 -13.137 -13.892 6 1HB ASP 1 1HB ASP 1 5.088 -14.308 -15.885 7 2HB ASP 1 2HB ASP 1 4.304 -13.122 -16.940 8 H TYR 2 H TYR 2 2.689 -11.499 -16.621 9 HA TYR 2 HA TYR 2 3.564 -8.902 -16.232 10 1HB TYR 2 1HB TYR 2 0.764 -9.641 -17.074 11 2HB TYR 2 2HB TYR 2 1.775 -8.303 -17.606 12 HD1 TYR 2 HD1 TYR 2 4.369 -9.685 -18.253 13 HD2 TYR 2 HD2 TYR 2 0.287 -10.814 -19.054 14 HE1 TYR 2 HE1 TYR 2 5.159 -11.473 -19.757 15 HE2 TYR 2 HE2 TYR 2 1.087 -12.522 -20.677 16 HH TYR 2 HH TYR 2 4.538 -12.952 -21.433 17 H LEU 3 H LEU 3 0.714 -10.473 -14.714 18 HA LEU 3 HA LEU 3 0.201 -8.082 -13.142 19 1HB LEU 3 1HB LEU 3 -1.211 -10.781 -13.258 20 2HB LEU 3 2HB LEU 3 -1.808 -9.392 -12.347 21 HG LEU 3 HG LEU 3 -1.434 -9.336 -15.377 22 1HD1 LEU 3 1HD1 LEU 3 -3.049 -11.086 -14.793 23 2HD1 LEU 3 2HD1 LEU 3 -3.926 -9.954 -13.742 24 3HD1 LEU 3 3HD1 LEU 3 -3.881 -9.688 -15.497 25 1HD2 LEU 3 1HD2 LEU 3 -1.540 -7.097 -14.242 26 2HD2 LEU 3 2HD2 LEU 3 -2.957 -7.410 -15.253 27 3HD2 LEU 3 3HD2 LEU 3 -3.077 -7.576 -13.492 28 H ARG 4 H ARG 4 2.413 -10.468 -12.766 29 HA ARG 4 HA ARG 4 2.307 -10.218 -9.783 30 1HB ARG 4 1HB ARG 4 4.075 -11.986 -11.489 31 2HB ARG 4 2HB ARG 4 3.987 -11.928 -9.729 32 1HG ARG 4 1HG ARG 4 1.295 -12.394 -10.735 33 2HG ARG 4 2HG ARG 4 2.403 -13.475 -11.579 34 1HD ARG 4 1HD ARG 4 1.632 -14.627 -9.651 35 2HD ARG 4 2HD ARG 4 3.318 -14.171 -9.310 36 HE ARG 4 HE ARG 4 1.574 -12.119 -8.369 37 1HH1 ARG 4 1HH2 ARG 4 2.466 -15.442 -7.648 38 2HH1 ARG 4 2HH2 ARG 4 1.866 -15.426 -6.012 39 1HH2 ARG 4 1HH1 ARG 4 0.739 -12.057 -6.248 40 2HH2 ARG 4 2HH1 ARG 4 0.866 -13.433 -5.188 41 H GLU 5 H GLU 5 3.629 -8.832 -12.628 42 HA GLU 5 HA GLU 5 6.090 -7.863 -11.177 43 1HB GLU 5 1HB GLU 5 5.394 -8.461 -14.035 44 2HB GLU 5 2HB GLU 5 6.404 -7.042 -13.734 45 1HG GLU 5 1HG GLU 5 7.693 -9.130 -14.182 46 2HG GLU 5 2HG GLU 5 8.100 -8.328 -12.662 47 H LEU 6 H LEU 6 3.524 -6.727 -13.357 48 HA LEU 6 HA LEU 6 4.034 -3.905 -12.678 49 1HB LEU 6 1HB LEU 6 2.104 -5.186 -14.668 50 2HB LEU 6 2HB LEU 6 2.426 -3.466 -14.441 51 HG LEU 6 HG LEU 6 4.915 -4.043 -15.129 52 1HD1 LEU 6 1HD1 LEU 6 4.495 -6.603 -15.108 53 2HD1 LEU 6 2HD1 LEU 6 3.481 -6.327 -16.522 54 3HD1 LEU 6 3HD1 LEU 6 5.223 -5.914 -16.525 55 1HD2 LEU 6 1HD2 LEU 6 2.611 -4.056 -17.056 56 2HD2 LEU 6 2HD2 LEU 6 3.368 -2.627 -16.310 57 3HD2 LEU 6 3HD2 LEU 6 4.343 -3.680 -17.337 58 H LEU 7 H LEU 7 3.025 -5.691 -10.668 59 HA LEU 7 HA LEU 7 0.666 -4.194 -9.949 60 1HB LEU 7 1HB LEU 7 -0.042 -6.396 -11.083 61 2HB LEU 7 2HB LEU 7 0.623 -7.217 -9.662 62 HG LEU 7 HG LEU 7 -1.558 -5.093 -9.600 63 1HD1 LEU 7 1HD1 LEU 7 -2.296 -7.080 -10.849 64 2HD1 LEU 7 2HD1 LEU 7 -1.814 -8.127 -9.495 65 3HD1 LEU 7 3HD1 LEU 7 -3.140 -6.961 -9.298 66 1HD2 LEU 7 1HD2 LEU 7 -0.413 -6.979 -7.486 67 2HD2 LEU 7 2HD2 LEU 7 -0.602 -5.209 -7.396 68 3HD2 LEU 7 3HD2 LEU 7 -2.018 -6.253 -7.319 69 H LYS 8 H LYS 8 2.842 -6.889 -8.940 70 HA LYS 8 HA LYS 8 2.620 -6.229 -6.239 71 1HB LYS 8 1HB LYS 8 3.850 -8.278 -7.719 72 2HB LYS 8 2HB LYS 8 5.190 -7.511 -6.865 73 1HG LYS 8 1HG LYS 8 3.649 -7.769 -4.752 74 2HG LYS 8 2HG LYS 8 2.650 -8.789 -5.798 75 1HD LYS 8 1HD LYS 8 4.044 -10.364 -4.767 76 2HD LYS 8 2HD LYS 8 4.885 -10.082 -6.302 77 1HE LYS 8 1HE LYS 8 6.376 -8.416 -5.108 78 2HE LYS 8 2HE LYS 8 5.509 -8.765 -3.603 79 1HZ LYS 8 1HZ LYS 8 6.248 -11.026 -3.777 80 2HZ LYS 8 2HZ LYS 8 7.084 -10.685 -5.159 81 3HZ LYS 8 3HZ LYS 8 7.518 -9.977 -3.735 82 H LEU 9 H LEU 9 5.104 -5.424 -8.696 83 HA LEU 9 HA LEU 9 6.762 -3.846 -6.927 84 1HB LEU 9 1HB LEU 9 6.466 -3.765 -9.933 85 2HB LEU 9 2HB LEU 9 7.638 -2.832 -8.996 86 HG LEU 9 HG LEU 9 7.586 -5.861 -8.863 87 1HD1 LEU 9 1HD1 LEU 9 7.993 -5.144 -11.185 88 2HD1 LEU 9 2HD1 LEU 9 9.249 -4.013 -10.620 89 3HD1 LEU 9 3HD1 LEU 9 9.483 -5.767 -10.453 90 1HD2 LEU 9 1HD2 LEU 9 9.645 -3.715 -8.114 91 2HD2 LEU 9 2HD2 LEU 9 8.798 -4.791 -6.990 92 3HD2 LEU 9 3HD2 LEU 9 9.970 -5.457 -8.125 93 H GLU 10 H GLU 10 3.967 -3.083 -9.023 94 HA GLU 10 HA GLU 10 4.006 -0.272 -8.608 95 1HB GLU 10 1HB GLU 10 1.638 -2.182 -8.978 96 2HB GLU 10 2HB GLU 10 1.587 -0.447 -8.920 97 1HG GLU 10 1HG GLU 10 3.123 -0.383 -10.973 98 2HG GLU 10 2HG GLU 10 2.807 -2.131 -11.151 99 H LEU 11 H LEU 11 2.435 -2.881 -6.716 100 HA LEU 11 HA LEU 11 1.164 -1.127 -4.830 101 1HB LEU 11 1HB LEU 11 0.396 -3.419 -5.119 102 2HB LEU 11 2HB LEU 11 1.995 -4.064 -4.742 103 HG LEU 11 HG LEU 11 1.804 -3.295 -2.401 104 1HD1 LEU 11 1HD1 LEU 11 0.294 -1.357 -2.671 105 2HD1 LEU 11 2HD1 LEU 11 -1.009 -2.432 -3.224 106 3HD1 LEU 11 3HD1 LEU 11 -0.409 -2.533 -1.555 107 1HD2 LEU 11 1HD2 LEU 11 -0.550 -4.967 -3.358 108 2HD2 LEU 11 2HD2 LEU 11 1.097 -5.561 -3.056 109 3HD2 LEU 11 3HD2 LEU 11 0.123 -4.937 -1.713 110 H GLN 12 H GLN 12 4.219 -2.996 -4.681 111 HA GLN 12 HA GLN 12 5.080 -2.105 -2.141 112 1HB GLN 12 1HB GLN 12 6.644 -2.852 -4.645 113 2HB GLN 12 2HB GLN 12 7.434 -2.329 -3.168 114 1HG GLN 12 1HG GLN 12 7.467 -4.407 -2.441 115 2HG GLN 12 2HG GLN 12 5.730 -4.283 -2.171 116 1HE2 GLN 12 2HE2 GLN 12 7.712 -4.574 -5.174 117 2HE2 GLN 12 1HE2 GLN 12 6.885 -5.998 -5.759 118 H LEU 13 H LEU 13 5.138 -0.360 -5.253 119 HA LEU 13 HA LEU 13 6.978 1.639 -4.312 120 1HB LEU 13 1HB LEU 13 5.016 1.792 -6.631 121 2HB LEU 13 2HB LEU 13 6.269 2.943 -6.219 122 HG LEU 13 HG LEU 13 6.435 0.427 -7.667 123 1HD1 LEU 13 1HD1 LEU 13 7.067 2.647 -8.536 124 2HD1 LEU 13 2HD1 LEU 13 8.357 2.776 -7.326 125 3HD1 LEU 13 3HD1 LEU 13 8.439 1.527 -8.580 126 1HD2 LEU 13 1HD2 LEU 13 8.715 0.896 -5.706 127 2HD2 LEU 13 2HD2 LEU 13 7.610 -0.488 -5.636 128 3HD2 LEU 13 3HD2 LEU 13 8.630 -0.304 -7.029 129 H ILE 14 H ILE 14 3.397 1.650 -4.811 130 HA ILE 14 HA ILE 14 2.924 4.171 -3.530 131 HB ILE 14 HB ILE 14 1.294 1.537 -3.539 132 1HG1 ILE 14 1HG1 ILE 14 1.470 2.226 -5.748 133 2HG1 ILE 14 2HG1 ILE 14 -0.100 2.833 -5.234 134 1HG2 ILE 14 1HG2 ILE 14 0.448 2.844 -1.684 135 2HG2 ILE 14 2HG2 ILE 14 0.412 4.321 -2.661 136 3HG2 ILE 14 3HG2 ILE 14 -0.693 2.980 -3.021 137 1HD1 ILE 14 1HD1 ILE 14 1.154 5.067 -4.736 138 2HD1 ILE 14 2HD1 ILE 14 2.468 4.376 -5.720 139 3HD1 ILE 14 3HD1 ILE 14 0.863 4.639 -6.419 140 H LYS 15 H LYS 15 3.386 1.043 -2.161 141 HA LYS 15 HA LYS 15 3.001 1.719 0.600 142 1HB LYS 15 1HB LYS 15 3.612 -0.610 -0.860 143 2HB LYS 15 2HB LYS 15 5.074 -0.312 0.026 144 1HG LYS 15 1HG LYS 15 3.769 -1.781 1.337 145 2HG LYS 15 2HG LYS 15 3.549 -0.213 2.134 146 1HD LYS 15 1HD LYS 15 1.377 0.083 0.980 147 2HD LYS 15 2HD LYS 15 1.621 -1.390 0.042 148 1HE LYS 15 1HE LYS 15 1.499 -1.395 3.093 149 2HE LYS 15 2HE LYS 15 0.063 -1.558 2.069 150 1HZ LYS 15 1HZ LYS 15 0.988 -3.495 1.092 151 2HZ LYS 15 2HZ LYS 15 2.369 -3.369 1.983 152 3HZ LYS 15 3HZ LYS 15 0.931 -3.671 2.726 153 H GLN 16 H GLN 16 5.935 1.630 -1.452 154 HA GLN 16 HA GLN 16 7.752 2.397 0.635 155 1HB GLN 16 1HB GLN 16 7.938 1.679 -2.164 156 2HB GLN 16 2HB GLN 16 8.731 3.224 -1.981 157 1HG GLN 16 1HG GLN 16 9.301 0.784 -0.242 158 2HG GLN 16 2HG GLN 16 10.208 1.224 -1.693 159 1HE2 GLN 16 2HE2 GLN 16 10.395 1.487 1.649 160 2HE2 GLN 16 1HE2 GLN 16 11.401 2.910 1.686 161 H TYR 17 H TYR 17 5.879 4.187 -1.731 162 HA TYR 17 HA TYR 17 7.067 6.754 -1.385 163 1HB TYR 17 1HB TYR 17 4.615 5.566 -2.640 164 2HB TYR 17 2HB TYR 17 4.453 7.212 -2.160 165 HD1 TYR 17 HD1 TYR 17 5.205 8.971 -3.549 166 HD2 TYR 17 HD2 TYR 17 6.711 4.983 -4.190 167 HE1 TYR 17 HE1 TYR 17 6.171 9.677 -5.694 168 HE2 TYR 17 HE2 TYR 17 7.480 5.644 -6.428 169 HH TYR 17 HH TYR 17 7.203 9.003 -7.645 170 H ARG 18 H ARG 18 4.563 4.971 0.365 171 HA ARG 18 HA ARG 18 3.704 7.326 1.895 172 1HB ARG 18 1HB ARG 18 3.137 4.368 2.311 173 2HB ARG 18 2HB ARG 18 2.508 5.669 3.338 174 1HG ARG 18 1HG ARG 18 1.410 6.719 1.368 175 2HG ARG 18 2HG ARG 18 2.032 5.429 0.349 176 1HD ARG 18 1HD ARG 18 -0.041 4.622 0.694 177 2HD ARG 18 2HD ARG 18 0.766 3.841 2.069 178 HE ARG 18 HE ARG 18 -0.160 6.347 2.968 179 1HH1 ARG 18 1HH2 ARG 18 -1.526 3.356 1.717 180 2HH1 ARG 18 2HH2 ARG 18 -3.144 3.661 2.285 181 1HH2 ARG 18 1HH1 ARG 18 -2.282 6.812 3.696 182 2HH2 ARG 18 2HH1 ARG 18 -3.576 5.672 3.457 183 H GLU 19 H GLU 19 5.732 4.504 2.369 184 HA GLU 19 HA GLU 19 6.661 5.099 4.971 185 1HB GLU 19 1HB GLU 19 7.045 2.986 3.572 186 2HB GLU 19 2HB GLU 19 8.388 3.862 2.816 187 1HG GLU 19 1HG GLU 19 9.463 4.140 5.015 188 2HG GLU 19 2HG GLU 19 8.077 3.372 5.809 189 H ALA 20 H ALA 20 7.920 6.213 1.753 190 HA ALA 20 HA ALA 20 10.094 7.630 3.100 191 1HB ALA 20 1HB ALA 20 10.547 6.640 1.030 192 2HB ALA 20 2HB ALA 20 9.195 7.498 0.246 193 3HB ALA 20 3HB ALA 20 10.637 8.397 0.790 194 H LEU 21 H LEU 21 6.816 8.467 2.191 195 HA LEU 21 HA LEU 21 6.954 11.170 1.873 196 1HB LEU 21 1HB LEU 21 4.926 9.676 1.892 197 2HB LEU 21 2HB LEU 21 4.861 9.841 3.647 198 HG LEU 21 HG LEU 21 5.068 12.374 2.008 199 1HD1 LEU 21 1HD1 LEU 21 3.464 10.968 0.736 200 2HD1 LEU 21 2HD1 LEU 21 2.493 10.774 2.206 201 3HD1 LEU 21 3HD1 LEU 21 2.727 12.396 1.501 202 1HD2 LEU 21 1HD2 LEU 21 3.344 11.624 4.404 203 2HD2 LEU 21 2HD2 LEU 21 4.856 12.557 4.470 204 3HD2 LEU 21 3HD2 LEU 21 3.446 13.223 3.640 205 H GLU 22 H GLU 22 7.252 9.440 4.949 206 HA GLU 22 HA GLU 22 7.256 11.872 6.547 207 1HB GLU 22 1HB GLU 22 7.731 8.922 7.127 208 2HB GLU 22 2HB GLU 22 8.025 10.167 8.349 209 1HG GLU 22 1HG GLU 22 5.355 9.886 6.899 210 2HG GLU 22 2HG GLU 22 5.723 9.123 8.452 211 H TYR 23 H TYR 23 9.720 9.637 5.192 212 HA TYR 23 HA TYR 23 11.914 10.839 6.588 213 1HB TYR 23 1HB TYR 23 11.608 9.149 4.072 214 2HB TYR 23 2HB TYR 23 13.132 9.806 4.584 215 HD1 TYR 23 HD1 TYR 23 11.383 6.828 4.656 216 HD2 TYR 23 HD2 TYR 23 13.637 9.431 7.257 217 HE1 TYR 23 HE1 TYR 23 11.840 4.934 6.161 218 HE2 TYR 23 HE2 TYR 23 14.062 7.535 8.774 219 HH TYR 23 HH TYR 23 13.748 5.292 9.159 220 H VAL 24 H VAL 24 10.166 11.603 3.612 221 HA VAL 24 HA VAL 24 12.168 13.672 2.884 222 HB VAL 24 HB VAL 24 9.690 12.659 1.471 223 1HG1 VAL 24 1HG1 VAL 24 10.162 14.946 0.725 224 2HG1 VAL 24 2HG1 VAL 24 11.885 14.565 0.536 225 3HG1 VAL 24 3HG1 VAL 24 10.680 13.816 -0.530 226 1HG2 VAL 24 1HG2 VAL 24 12.662 12.168 0.949 227 2HG2 VAL 24 2HG2 VAL 24 11.540 10.970 1.616 228 3HG2 VAL 24 3HG2 VAL 24 11.318 11.554 -0.035 229 H LYS 25 H LYS 25 8.922 13.473 4.245 230 HA LYS 25 HA LYS 25 7.409 14.955 4.934 231 1HB LYS 25 1HB LYS 25 9.798 16.759 5.488 232 2HB LYS 25 2HB LYS 25 8.144 16.973 6.075 233 1HG LYS 25 1HG LYS 25 8.440 14.493 6.967 234 2HG LYS 25 2HG LYS 25 10.167 14.863 6.834 235 1HD LYS 25 1HD LYS 25 9.767 16.901 8.295 236 2HD LYS 25 2HD LYS 25 8.050 16.466 8.367 237 1HE LYS 25 1HE LYS 25 8.977 15.638 10.394 238 2HE LYS 25 2HE LYS 25 8.734 14.220 9.362 239 1HZ LYS 25 1HZ LYS 25 11.065 14.351 8.784 240 2HZ LYS 25 2HZ LYS 25 11.269 15.646 9.785 241 3HZ LYS 25 3HZ LYS 25 10.857 14.178 10.409 242 H LEU 26 H LEU 26 6.914 14.845 2.530 243 HA LEU 26 HA LEU 26 6.697 17.640 1.498 244 1HB LEU 26 1HB LEU 26 8.583 16.622 0.380 245 2HB LEU 26 2HB LEU 26 7.635 15.175 0.031 246 HG LEU 26 HG LEU 26 6.088 16.735 -1.319 247 1HD1 LEU 26 1HD1 LEU 26 7.044 18.934 -0.554 248 2HD1 LEU 26 2HD1 LEU 26 8.590 18.491 -1.302 249 3HD1 LEU 26 3HD1 LEU 26 7.158 18.737 -2.308 250 1HD2 LEU 26 1HD2 LEU 26 8.913 16.201 -2.310 251 2HD2 LEU 26 2HD2 LEU 26 7.555 15.054 -2.357 252 3HD2 LEU 26 3HD2 LEU 26 7.497 16.519 -3.324 253 HA PRO 27 HA PRO 27 2.493 15.894 1.342 254 1HB PRO 27 1HB PRO 27 1.092 18.085 0.498 255 2HB PRO 27 2HB PRO 27 1.692 17.883 2.168 256 1HG PRO 27 1HG PRO 27 2.993 19.438 -0.081 257 2HG PRO 27 2HG PRO 27 2.708 19.973 1.598 258 1HD PRO 27 1HD PRO 27 5.107 18.995 0.794 259 2HD PRO 27 2HD PRO 27 4.479 18.611 2.423 260 H VAL 28 H VAL 28 4.009 17.731 -1.345 261 HA VAL 28 HA VAL 28 2.505 16.860 -3.526 262 HB VAL 28 HB VAL 28 5.430 17.341 -3.240 263 1HG1 VAL 28 1HG1 VAL 28 5.335 15.696 -5.012 264 2HG1 VAL 28 2HG1 VAL 28 4.011 16.591 -5.806 265 3HG1 VAL 28 3HG1 VAL 28 5.641 17.278 -5.713 266 1HG2 VAL 28 1HG2 VAL 28 3.374 18.867 -4.856 267 2HG2 VAL 28 2HG2 VAL 28 3.993 19.362 -3.255 268 3HG2 VAL 28 3HG2 VAL 28 5.081 19.274 -4.648 269 H LEU 29 H LEU 29 4.753 14.934 -1.472 270 HA LEU 29 HA LEU 29 5.093 12.843 -3.282 271 1HB LEU 29 1HB LEU 29 6.214 13.637 -0.947 272 2HB LEU 29 2HB LEU 29 5.192 12.367 -0.285 273 HG LEU 29 HG LEU 29 6.891 11.892 -2.718 274 1HD1 LEU 29 1HD1 LEU 29 8.470 12.995 -1.284 275 2HD1 LEU 29 2HD1 LEU 29 7.969 12.023 0.109 276 3HD1 LEU 29 3HD1 LEU 29 8.824 11.260 -1.246 277 1HD2 LEU 29 1HD2 LEU 29 5.277 10.152 -1.658 278 2HD2 LEU 29 2HD2 LEU 29 6.952 9.603 -1.866 279 3HD2 LEU 29 3HD2 LEU 29 6.379 10.126 -0.274 280 H ALA 30 H ALA 30 2.781 13.070 -0.495 281 HA ALA 30 HA ALA 30 1.409 10.666 -1.074 282 1HB ALA 30 1HB ALA 30 0.725 11.686 0.947 283 2HB ALA 30 2HB ALA 30 0.461 13.276 0.175 284 3HB ALA 30 3HB ALA 30 -0.643 11.919 -0.120 285 H LYS 31 H LYS 31 1.138 14.011 -2.502 286 HA LYS 31 HA LYS 31 -1.311 13.333 -3.922 287 1HB LYS 31 1HB LYS 31 0.652 15.599 -4.177 288 2HB LYS 31 2HB LYS 31 -0.606 15.373 -5.380 289 1HG LYS 31 1HG LYS 31 -1.627 15.279 -2.574 290 2HG LYS 31 2HG LYS 31 -0.817 16.776 -3.003 291 1HD LYS 31 1HD LYS 31 -2.855 17.402 -3.680 292 2HD LYS 31 2HD LYS 31 -2.377 16.667 -5.197 293 1HE LYS 31 1HE LYS 31 -4.022 15.279 -3.006 294 2HE LYS 31 2HE LYS 31 -4.706 16.143 -4.388 295 1HZ LYS 31 1HZ LYS 31 -3.635 14.602 -5.852 296 2HZ LYS 31 2HZ LYS 31 -3.022 13.756 -4.581 297 3HZ LYS 31 3HZ LYS 31 -4.643 13.835 -4.807 298 H ILE 32 H ILE 32 2.088 13.021 -4.674 299 HA ILE 32 HA ILE 32 1.741 12.472 -7.520 300 HB ILE 32 HB ILE 32 4.007 12.025 -5.519 301 1HG1 ILE 32 1HG1 ILE 32 3.710 13.736 -8.028 302 2HG1 ILE 32 2HG1 ILE 32 3.634 14.314 -6.383 303 1HG2 ILE 32 1HG2 ILE 32 4.083 10.082 -6.974 304 2HG2 ILE 32 2HG2 ILE 32 3.819 11.093 -8.401 305 3HG2 ILE 32 3HG2 ILE 32 5.347 11.175 -7.491 306 1HD1 ILE 32 1HD1 ILE 32 6.018 13.510 -6.048 307 2HD1 ILE 32 2HD1 ILE 32 6.088 13.194 -7.799 308 3HD1 ILE 32 3HD1 ILE 32 5.817 14.831 -7.218 309 H LEU 33 H LEU 33 2.142 10.602 -4.452 310 HA LEU 33 HA LEU 33 2.088 8.174 -5.880 311 1HB LEU 33 1HB LEU 33 2.412 7.152 -3.823 312 2HB LEU 33 2HB LEU 33 2.971 8.804 -3.537 313 HG LEU 33 HG LEU 33 0.792 9.299 -2.506 314 1HD1 LEU 33 1HD1 LEU 33 -0.873 7.863 -2.866 315 2HD1 LEU 33 2HD1 LEU 33 0.231 6.529 -3.251 316 3HD1 LEU 33 3HD1 LEU 33 -0.140 6.934 -1.555 317 1HD2 LEU 33 1HD2 LEU 33 2.437 7.075 -1.292 318 2HD2 LEU 33 2HD2 LEU 33 2.922 8.789 -1.324 319 3HD2 LEU 33 3HD2 LEU 33 1.490 8.299 -0.403 320 H GLU 34 H GLU 34 -0.506 10.152 -4.519 321 HA GLU 34 HA GLU 34 -2.614 8.282 -4.804 322 1HB GLU 34 1HB GLU 34 -2.530 10.573 -3.647 323 2HB GLU 34 2HB GLU 34 -2.811 11.303 -5.208 324 1HG GLU 34 1HG GLU 34 -4.672 9.153 -4.087 325 2HG GLU 34 2HG GLU 34 -4.839 10.848 -3.623 326 H ASP 35 H ASP 35 -1.279 10.730 -6.995 327 HA ASP 35 HA ASP 35 -3.014 10.237 -9.197 328 1HB ASP 35 1HB ASP 35 -1.243 12.099 -8.920 329 2HB ASP 35 2HB ASP 35 -0.068 10.932 -9.545 330 H GLU 36 H GLU 36 0.203 8.857 -8.483 331 HA GLU 36 HA GLU 36 0.352 6.952 -10.550 332 1HB GLU 36 1HB GLU 36 1.371 6.700 -7.684 333 2HB GLU 36 2HB GLU 36 1.923 5.734 -9.044 334 1HG GLU 36 1HG GLU 36 2.238 8.762 -9.109 335 2HG GLU 36 2HG GLU 36 3.369 7.736 -8.218 336 H GLU 37 H GLU 37 -1.240 6.643 -7.273 337 HA GLU 37 HA GLU 37 -1.570 3.967 -7.164 338 1HB GLU 37 1HB GLU 37 -1.759 5.415 -5.250 339 2HB GLU 37 2HB GLU 37 -2.937 6.444 -6.051 340 1HG GLU 37 1HG GLU 37 -4.580 4.924 -6.071 341 2HG GLU 37 2HG GLU 37 -3.479 3.610 -5.547 342 H LYS 38 H LYS 38 -3.534 6.499 -8.838 343 HA LYS 38 HA LYS 38 -5.717 4.644 -9.309 344 1HB LYS 38 1HB LYS 38 -5.630 7.281 -9.255 345 2HB LYS 38 2HB LYS 38 -5.207 7.135 -10.969 346 1HG LYS 38 1HG LYS 38 -7.311 5.856 -11.359 347 2HG LYS 38 2HG LYS 38 -7.641 5.867 -9.614 348 1HD LYS 38 1HD LYS 38 -7.658 8.384 -9.667 349 2HD LYS 38 2HD LYS 38 -7.529 8.312 -11.437 350 1HE LYS 38 1HE LYS 38 -9.668 7.045 -11.539 351 2HE LYS 38 2HE LYS 38 -9.751 7.017 -9.768 352 1HZ LYS 38 1HZ LYS 38 -9.886 9.393 -9.784 353 2HZ LYS 38 2HZ LYS 38 -9.836 9.431 -11.431 354 3HZ LYS 38 3HZ LYS 38 -11.115 8.731 -10.658 355 H HIS 39 H HIS 39 -2.872 5.617 -11.231 356 HA HIS 39 HA HIS 39 -3.698 4.032 -13.548 357 1HB HIS 39 1HB HIS 39 -1.054 5.179 -12.544 358 2HB HIS 39 2HB HIS 39 -1.181 4.161 -13.962 359 HD1 HIS 39 HD1 HIS 39 -0.259 7.223 -14.159 360 HD2 HIS 39 HD2 HIS 39 -4.158 5.714 -14.824 361 HE1 HIS 39 HE1 HIS 39 -1.418 8.795 -15.798 362 HE2 HIS 39 HE2 HIS 39 -3.787 7.909 -16.153 363 H ILE 40 H ILE 40 -1.722 3.449 -10.703 364 HA ILE 40 HA ILE 40 -1.012 0.752 -11.319 365 HB ILE 40 HB ILE 40 -1.199 2.459 -8.838 366 1HG1 ILE 40 1HG1 ILE 40 1.262 1.164 -10.093 367 2HG1 ILE 40 2HG1 ILE 40 0.631 2.667 -10.652 368 1HG2 ILE 40 1HG2 ILE 40 -1.791 0.400 -7.889 369 2HG2 ILE 40 2HG2 ILE 40 -0.616 -0.504 -8.843 370 3HG2 ILE 40 3HG2 ILE 40 -0.075 0.597 -7.551 371 1HD1 ILE 40 1HD1 ILE 40 0.857 3.537 -8.294 372 2HD1 ILE 40 2HD1 ILE 40 1.726 2.023 -7.913 373 3HD1 ILE 40 3HD1 ILE 40 2.376 3.140 -9.121 374 H GLU 41 H GLU 41 -3.855 2.272 -9.819 375 HA GLU 41 HA GLU 41 -5.021 -0.110 -8.859 376 1HB GLU 41 1HB GLU 41 -5.790 2.262 -8.304 377 2HB GLU 41 2HB GLU 41 -6.545 2.325 -9.905 378 1HG GLU 41 1HG GLU 41 -7.338 -0.115 -8.568 379 2HG GLU 41 2HG GLU 41 -7.527 1.245 -7.455 380 H TRP 42 H TRP 42 -4.996 1.446 -12.073 381 HA TRP 42 HA TRP 42 -6.996 -0.023 -13.303 382 1HB TRP 42 1HB TRP 42 -5.403 1.895 -14.111 383 2HB TRP 42 2HB TRP 42 -4.363 0.582 -14.660 384 HD1 TRP 42 HD1 TRP 42 -7.918 1.926 -15.139 385 HE1 TRP 42 HE1 TRP 42 -8.908 0.885 -17.271 386 HE3 TRP 42 HE3 TRP 42 -4.122 -1.107 -16.409 387 HZ2 TRP 42 HZ2 TRP 42 -7.926 -0.574 -19.590 388 HZ3 TRP 42 HZ3 TRP 42 -4.159 -2.414 -18.587 389 HH2 TRP 42 HH2 TRP 42 -6.052 -2.100 -20.174 390 H LEU 43 H LEU 43 -3.604 -0.966 -12.659 391 HA LEU 43 HA LEU 43 -3.900 -3.558 -14.001 392 1HB LEU 43 1HB LEU 43 -1.765 -2.401 -12.229 393 2HB LEU 43 2HB LEU 43 -1.677 -4.028 -12.888 394 HG LEU 43 HG LEU 43 -2.317 -2.099 -15.016 395 1HD1 LEU 43 1HD1 LEU 43 -0.934 -0.619 -13.453 396 2HD1 LEU 43 2HD1 LEU 43 0.409 -1.762 -13.766 397 3HD1 LEU 43 3HD1 LEU 43 -0.298 -0.836 -15.087 398 1HD2 LEU 43 1HD2 LEU 43 0.033 -3.991 -14.538 399 2HD2 LEU 43 2HD2 LEU 43 -1.445 -4.388 -15.419 400 3HD2 LEU 43 3HD2 LEU 43 -0.309 -3.168 -16.059 401 H GLU 44 H GLU 44 -4.751 -2.341 -10.855 402 HA GLU 44 HA GLU 44 -4.942 -5.126 -9.777 403 1HB GLU 44 1HB GLU 44 -5.512 -2.450 -8.434 404 2HB GLU 44 2HB GLU 44 -5.821 -4.042 -7.735 405 1HG GLU 44 1HG GLU 44 -3.315 -4.530 -8.309 406 2HG GLU 44 2HG GLU 44 -3.142 -2.771 -8.336 407 H THR 45 H THR 45 -6.750 -3.093 -11.619 408 HA THR 45 HA THR 45 -9.372 -4.091 -10.603 409 HB THR 45 HB THR 45 -8.520 -1.576 -11.178 410 HG1 THR 45 HG1 THR 45 -10.354 -1.096 -10.466 411 1HG2 THR 45 1HG2 THR 45 -8.531 -1.867 -13.626 412 2HG2 THR 45 2HG2 THR 45 -10.259 -2.266 -13.544 413 3HG2 THR 45 3HG2 THR 45 -9.675 -0.660 -13.043 414 H ILE 46 H ILE 46 -7.405 -3.836 -13.515 415 HA ILE 46 HA ILE 46 -8.991 -4.881 -15.456 416 HB ILE 46 HB ILE 46 -6.647 -4.038 -15.682 417 1HG1 ILE 46 1HG1 ILE 46 -5.848 -5.787 -17.394 418 2HG1 ILE 46 2HG1 ILE 46 -7.342 -6.666 -17.046 419 1HG2 ILE 46 1HG2 ILE 46 -5.736 -5.366 -13.783 420 2HG2 ILE 46 2HG2 ILE 46 -5.701 -6.791 -14.837 421 3HG2 ILE 46 3HG2 ILE 46 -4.737 -5.357 -15.242 422 1HD1 ILE 46 1HD1 ILE 46 -8.626 -4.564 -17.634 423 2HD1 ILE 46 2HD1 ILE 46 -7.077 -3.785 -18.007 424 3HD1 ILE 46 3HD1 ILE 46 -7.630 -5.170 -18.972 425 H LEU 47 H LEU 47 -7.358 -6.766 -12.955 426 HA LEU 47 HA LEU 47 -8.946 -9.180 -13.761 427 1HB LEU 47 1HB LEU 47 -6.433 -9.437 -13.976 428 2HB LEU 47 2HB LEU 47 -6.309 -9.168 -12.242 429 HG LEU 47 HG LEU 47 -8.280 -11.134 -12.356 430 1HD1 LEU 47 1HD1 LEU 47 -7.955 -11.351 -14.820 431 2HD1 LEU 47 2HD1 LEU 47 -6.251 -11.774 -14.541 432 3HD1 LEU 47 3HD1 LEU 47 -7.541 -12.839 -13.944 433 1HD2 LEU 47 1HD2 LEU 47 -5.272 -11.556 -12.184 434 2HD2 LEU 47 2HD2 LEU 47 -6.362 -11.139 -10.840 435 3HD2 LEU 47 3HD2 LEU 47 -6.524 -12.704 -11.658 436 H GLY 48 H GLY 48 -7.241 -7.768 -10.920 437 1HA GLY 48 1HA GLY 48 -7.844 -7.468 -8.763 438 2HA GLY 48 2HA GLY 48 -9.533 -7.361 -9.294 439 1HN NH2 49 1HN NH2 49 -10.640 -9.545 -9.692 440 2HN NH2 49 2HN NH2 49 -10.175 -10.899 -8.628 441 1H ACE 0 H1 ACE 0 20.148 10.372 -2.270 442 2H ACE 0 H2 ACE 0 19.950 10.330 -0.504 443 3H ACE 0 H3 ACE 0 21.240 9.381 -1.280 444 H ASP 1 H ASP 1 19.764 7.954 0.347 445 HA ASP 1 HA ASP 1 18.944 5.770 -1.057 446 1HB ASP 1 1HB ASP 1 19.355 5.678 1.335 447 2HB ASP 1 2HB ASP 1 17.930 6.686 1.663 448 H TYR 2 H TYR 2 16.652 8.217 0.262 449 HA TYR 2 HA TYR 2 14.260 7.203 -0.669 450 1HB TYR 2 1HB TYR 2 15.027 10.118 -0.609 451 2HB TYR 2 2HB TYR 2 13.445 9.387 -0.365 452 HD1 TYR 2 HD1 TYR 2 15.353 11.284 1.418 453 HD2 TYR 2 HD2 TYR 2 14.059 7.174 1.596 454 HE1 TYR 2 HE1 TYR 2 16.090 11.152 3.781 455 HE2 TYR 2 HE2 TYR 2 14.862 7.026 3.930 456 HH TYR 2 HH TYR 2 16.204 9.842 5.663 457 H LEU 3 H LEU 3 16.543 9.260 -2.509 458 HA LEU 3 HA LEU 3 14.801 9.295 -4.802 459 1HB LEU 3 1HB LEU 3 17.813 9.786 -4.688 460 2HB LEU 3 2HB LEU 3 16.721 10.285 -5.984 461 HG LEU 3 HG LEU 3 16.662 11.346 -3.111 462 1HD1 LEU 3 1HD1 LEU 3 18.672 12.027 -4.365 463 2HD1 LEU 3 2HD1 LEU 3 17.645 12.665 -5.669 464 3HD1 LEU 3 3HD1 LEU 3 17.585 13.390 -4.048 465 1HD2 LEU 3 1HD2 LEU 3 15.112 12.205 -5.597 466 2HD2 LEU 3 2HD2 LEU 3 14.426 11.485 -4.120 467 3HD2 LEU 3 3HD2 LEU 3 15.158 13.093 -4.062 468 H ARG 4 H ARG 4 17.671 7.423 -3.868 469 HA ARG 4 HA ARG 4 17.726 5.760 -6.211 470 1HB ARG 4 1HB ARG 4 18.692 5.219 -3.397 471 2HB ARG 4 2HB ARG 4 19.128 4.273 -4.809 472 1HG ARG 4 1HG ARG 4 19.738 7.243 -4.928 473 2HG ARG 4 2HG ARG 4 20.626 6.263 -3.770 474 1HD ARG 4 1HD ARG 4 22.011 6.182 -5.595 475 2HD ARG 4 2HD ARG 4 21.140 4.646 -5.721 476 HE ARG 4 HE ARG 4 19.862 6.789 -7.213 477 1HH1 ARG 4 1HH2 ARG 4 22.512 4.463 -7.307 478 2HH1 ARG 4 2HH2 ARG 4 22.849 4.675 -9.002 479 1HH2 ARG 4 1HH1 ARG 4 20.333 7.146 -9.432 480 2HH2 ARG 4 2HH1 ARG 4 21.577 6.235 -10.237 481 H GLU 5 H GLU 5 15.321 5.926 -3.816 482 HA GLU 5 HA GLU 5 14.501 3.060 -4.209 483 1HB GLU 5 1HB GLU 5 13.888 5.176 -2.130 484 2HB GLU 5 2HB GLU 5 12.748 3.857 -2.440 485 1HG GLU 5 1HG GLU 5 14.433 2.200 -1.884 486 2HG GLU 5 2HG GLU 5 15.661 3.460 -1.653 487 H LEU 6 H LEU 6 12.907 6.233 -3.818 488 HA LEU 6 HA LEU 6 10.564 5.327 -5.175 489 1HB LEU 6 1HB LEU 6 11.477 8.091 -4.323 490 2HB LEU 6 2HB LEU 6 9.915 7.740 -5.066 491 HG LEU 6 HG LEU 6 9.403 6.212 -2.997 492 1HD1 LEU 6 1HD1 LEU 6 11.864 6.134 -2.232 493 2HD1 LEU 6 2HD1 LEU 6 11.608 7.802 -1.677 494 3HD1 LEU 6 3HD1 LEU 6 10.617 6.435 -1.096 495 1HD2 LEU 6 1HD2 LEU 6 9.878 9.212 -2.728 496 2HD2 LEU 6 2HD2 LEU 6 8.451 8.437 -3.437 497 3HD2 LEU 6 3HD2 LEU 6 8.805 8.228 -1.724 498 H LEU 7 H LEU 7 13.556 6.440 -6.516 499 HA LEU 7 HA LEU 7 12.261 7.345 -8.961 500 1HB LEU 7 1HB LEU 7 14.115 8.679 -7.807 501 2HB LEU 7 2HB LEU 7 15.229 7.434 -8.402 502 HG LEU 7 HG LEU 7 13.421 9.174 -10.125 503 1HD1 LEU 7 1HD1 LEU 7 15.245 10.399 -8.968 504 2HD1 LEU 7 2HD1 LEU 7 16.429 9.245 -9.621 505 3HD1 LEU 7 3HD1 LEU 7 15.507 10.294 -10.713 506 1HD2 LEU 7 1HD2 LEU 7 15.543 7.113 -10.879 507 2HD2 LEU 7 2HD2 LEU 7 13.834 7.156 -11.381 508 3HD2 LEU 7 3HD2 LEU 7 14.947 8.372 -11.982 509 H LYS 8 H LYS 8 14.807 5.158 -7.688 510 HA LYS 8 HA LYS 8 15.350 4.004 -10.160 511 1HB LYS 8 1HB LYS 8 16.781 4.050 -8.055 512 2HB LYS 8 2HB LYS 8 15.799 2.696 -7.447 513 1HG LYS 8 1HG LYS 8 16.544 1.279 -9.295 514 2HG LYS 8 2HG LYS 8 17.381 2.647 -10.042 515 1HD LYS 8 1HD LYS 8 19.237 2.108 -8.890 516 2HD LYS 8 2HD LYS 8 18.407 2.586 -7.403 517 1HE LYS 8 1HE LYS 8 17.543 0.275 -7.126 518 2HE LYS 8 2HE LYS 8 18.387 -0.219 -8.612 519 1HZ LYS 8 1HZ LYS 8 20.447 0.400 -7.557 520 2HZ LYS 8 2HZ LYS 8 19.650 0.820 -6.175 521 3HZ LYS 8 3HZ LYS 8 19.654 -0.747 -6.680 522 H LEU 9 H LEU 9 13.240 3.005 -7.491 523 HA LEU 9 HA LEU 9 12.470 0.464 -8.695 524 1HB LEU 9 1HB LEU 9 11.239 2.192 -6.520 525 2HB LEU 9 2HB LEU 9 10.495 0.726 -7.125 526 HG LEU 9 HG LEU 9 13.359 0.533 -6.238 527 1HD1 LEU 9 1HD1 LEU 9 12.287 1.711 -4.371 528 2HD1 LEU 9 2HD1 LEU 9 10.958 0.533 -4.355 529 3HD1 LEU 9 3HD1 LEU 9 12.609 0.027 -3.930 530 1HD2 LEU 9 1HD2 LEU 9 10.958 -1.356 -6.021 531 2HD2 LEU 9 2HD2 LEU 9 12.150 -1.400 -7.332 532 3HD2 LEU 9 3HD2 LEU 9 12.649 -1.758 -5.669 533 H GLU 10 H GLU 10 11.245 3.824 -8.803 534 HA GLU 10 HA GLU 10 8.836 3.270 -10.260 535 1HB GLU 10 1HB GLU 10 10.612 5.652 -9.728 536 2HB GLU 10 2HB GLU 10 9.627 5.684 -11.151 537 1HG GLU 10 1HG GLU 10 8.651 5.412 -8.319 538 2HG GLU 10 2HG GLU 10 8.531 6.837 -9.350 539 H LEU 11 H LEU 11 12.150 4.079 -11.307 540 HA LEU 11 HA LEU 11 11.644 4.168 -14.061 541 1HB LEU 11 1HB LEU 11 13.693 4.835 -12.600 542 2HB LEU 11 2HB LEU 11 14.282 3.200 -12.870 543 HG LEU 11 HG LEU 11 13.418 4.917 -15.229 544 1HD1 LEU 11 1HD1 LEU 11 14.760 6.439 -13.878 545 2HD1 LEU 11 2HD1 LEU 11 16.048 5.224 -13.728 546 3HD1 LEU 11 3HD1 LEU 11 15.668 5.940 -15.311 547 1HD2 LEU 11 1HD2 LEU 11 15.713 2.935 -14.850 548 2HD2 LEU 11 2HD2 LEU 11 14.156 2.562 -15.624 549 3HD2 LEU 11 3HD2 LEU 11 15.253 3.740 -16.365 550 H GLN 12 H GLN 12 12.480 1.456 -11.898 551 HA GLN 12 HA GLN 12 12.622 -0.576 -13.810 552 1HB GLN 12 1HB GLN 12 12.916 -0.527 -11.109 553 2HB GLN 12 2HB GLN 12 11.263 -1.169 -11.196 554 1HG GLN 12 1HG GLN 12 12.261 -2.788 -12.988 555 2HG GLN 12 2HG GLN 12 13.831 -2.334 -12.318 556 1HE2 GLN 12 2HE2 GLN 12 13.103 -2.112 -9.542 557 2HE2 GLN 12 1HE2 GLN 12 12.664 -3.725 -8.994 558 H LEU 13 H LEU 13 9.710 0.986 -12.430 559 HA LEU 13 HA LEU 13 7.834 -0.987 -13.387 560 1HB LEU 13 1HB LEU 13 7.298 1.957 -12.796 561 2HB LEU 13 2HB LEU 13 6.142 0.674 -13.081 562 HG LEU 13 HG LEU 13 7.930 1.044 -10.682 563 1HD1 LEU 13 1HD1 LEU 13 5.892 2.410 -10.757 564 2HD1 LEU 13 2HD1 LEU 13 4.911 0.988 -11.157 565 3HD1 LEU 13 3HD1 LEU 13 5.646 1.126 -9.566 566 1HD2 LEU 13 1HD2 LEU 13 6.140 -1.349 -11.316 567 2HD2 LEU 13 2HD2 LEU 13 7.902 -1.367 -11.041 568 3HD2 LEU 13 3HD2 LEU 13 6.802 -0.947 -9.720 569 H ILE 14 H ILE 14 8.916 2.264 -14.530 570 HA ILE 14 HA ILE 14 7.309 2.205 -16.911 571 HB ILE 14 HB ILE 14 9.652 3.809 -15.925 572 1HG1 ILE 14 1HG1 ILE 14 8.067 5.621 -16.109 573 2HG1 ILE 14 2HG1 ILE 14 6.950 4.644 -17.059 574 1HG2 ILE 14 1HG2 ILE 14 10.261 3.600 -18.276 575 2HG2 ILE 14 2HG2 ILE 14 8.596 3.976 -18.776 576 3HG2 ILE 14 3HG2 ILE 14 9.590 5.203 -17.974 577 1HD1 ILE 14 1HD1 ILE 14 6.313 3.324 -15.150 578 2HD1 ILE 14 2HD1 ILE 14 7.645 3.977 -14.174 579 3HD1 ILE 14 3HD1 ILE 14 6.289 5.004 -14.650 580 H LYS 15 H LYS 15 10.603 1.030 -16.291 581 HA LYS 15 HA LYS 15 11.088 0.078 -18.953 582 1HB LYS 15 1HB LYS 15 12.861 0.370 -17.424 583 2HB LYS 15 2HB LYS 15 12.121 -0.644 -16.194 584 1HG LYS 15 1HG LYS 15 12.740 -1.949 -18.838 585 2HG LYS 15 2HG LYS 15 14.105 -1.469 -17.812 586 1HD LYS 15 1HD LYS 15 13.141 -2.669 -15.882 587 2HD LYS 15 2HD LYS 15 11.778 -3.206 -16.866 588 1HE LYS 15 1HE LYS 15 13.254 -4.475 -18.344 589 2HE LYS 15 2HE LYS 15 14.695 -3.861 -17.502 590 1HZ LYS 15 1HZ LYS 15 13.993 -4.986 -15.550 591 2HZ LYS 15 2HZ LYS 15 12.589 -5.475 -16.246 592 3HZ LYS 15 3HZ LYS 15 14.030 -6.068 -16.794 593 H GLN 16 H GLN 16 9.546 -1.450 -16.047 594 HA GLN 16 HA GLN 16 9.152 -3.964 -17.366 595 1HB GLN 16 1HB GLN 16 8.412 -2.812 -14.763 596 2HB GLN 16 2HB GLN 16 7.039 -3.601 -15.493 597 1HG GLN 16 1HG GLN 16 7.974 -5.331 -14.347 598 2HG GLN 16 2HG GLN 16 8.617 -5.607 -15.965 599 1HE2 GLN 16 2HE2 GLN 16 9.318 -4.317 -12.726 600 2HE2 GLN 16 1HE2 GLN 16 11.034 -4.658 -12.768 601 H TYR 17 H TYR 17 7.265 -1.025 -17.267 602 HA TYR 17 HA TYR 17 4.778 -1.958 -18.374 603 1HB TYR 17 1HB TYR 17 6.143 0.673 -17.911 604 2HB TYR 17 2HB TYR 17 4.818 0.575 -19.019 605 HD1 TYR 17 HD1 TYR 17 2.630 -0.535 -18.304 606 HD2 TYR 17 HD2 TYR 17 5.489 1.293 -15.676 607 HE1 TYR 17 HE1 TYR 17 0.799 0.210 -16.828 608 HE2 TYR 17 HE2 TYR 17 3.672 1.930 -14.133 609 HH TYR 17 HH TYR 17 1.245 1.280 -13.621 610 H ARG 18 H ARG 18 7.883 -1.041 -19.732 611 HA ARG 18 HA ARG 18 6.812 -0.843 -22.468 612 1HB ARG 18 1HB ARG 18 9.642 -0.839 -21.354 613 2HB ARG 18 2HB ARG 18 9.282 -0.948 -23.085 614 1HG ARG 18 1HG ARG 18 7.997 1.126 -23.013 615 2HG ARG 18 2HG ARG 18 8.286 1.296 -21.276 616 1HD ARG 18 1HD ARG 18 10.518 1.843 -21.529 617 2HD ARG 18 2HD ARG 18 10.707 1.013 -23.069 618 HE ARG 18 HE ARG 18 9.842 3.752 -22.619 619 1HH1 ARG 18 1HH2 ARG 18 9.601 1.025 -24.830 620 2HH1 ARG 18 2HH2 ARG 18 9.349 1.988 -26.259 621 1HH2 ARG 18 1HH1 ARG 18 9.452 5.055 -24.453 622 2HH2 ARG 18 2HH1 ARG 18 9.235 4.347 -26.028 623 H GLU 19 H GLU 19 8.519 -3.154 -20.462 624 HA GLU 19 HA GLU 19 8.639 -5.241 -22.408 625 1HB GLU 19 1HB GLU 19 9.722 -5.092 -19.997 626 2HB GLU 19 2HB GLU 19 8.214 -5.877 -19.496 627 1HG GLU 19 1HG GLU 19 8.671 -7.598 -21.352 628 2HG GLU 19 2HG GLU 19 10.275 -6.873 -21.511 629 H ALA 20 H ALA 20 6.107 -4.427 -19.950 630 HA ALA 20 HA ALA 20 4.467 -6.670 -20.815 631 1HB ALA 20 1HB ALA 20 3.051 -6.113 -19.030 632 2HB ALA 20 2HB ALA 20 4.645 -5.595 -18.516 633 3HB ALA 20 3HB ALA 20 3.488 -4.394 -19.131 634 H LEU 21 H LEU 21 4.849 -3.419 -22.022 635 HA LEU 21 HA LEU 21 2.409 -2.908 -23.155 636 1HB LEU 21 1HB LEU 21 4.467 -1.457 -23.251 637 2HB LEU 21 2HB LEU 21 5.078 -2.498 -24.543 638 HG LEU 21 HG LEU 21 3.153 -1.852 -25.976 639 1HD1 LEU 21 1HD1 LEU 21 1.421 -1.314 -24.307 640 2HD1 LEU 21 2HD1 LEU 21 2.458 -0.041 -23.625 641 3HD1 LEU 21 3HD1 LEU 21 1.767 0.129 -25.253 642 1HD2 LEU 21 1HD2 LEU 21 4.739 0.455 -24.768 643 2HD2 LEU 21 2HD2 LEU 21 5.265 -0.607 -26.086 644 3HD2 LEU 21 3HD2 LEU 21 3.896 0.492 -26.332 645 H GLU 22 H GLU 22 4.762 -5.313 -24.316 646 HA GLU 22 HA GLU 22 3.287 -5.742 -26.817 647 1HB GLU 22 1HB GLU 22 4.896 -7.700 -27.043 648 2HB GLU 22 2HB GLU 22 5.540 -6.062 -27.207 649 1HG GLU 22 1HG GLU 22 6.493 -6.091 -25.018 650 2HG GLU 22 2HG GLU 22 5.681 -7.624 -24.609 651 H TYR 23 H TYR 23 3.806 -7.396 -23.721 652 HA TYR 23 HA TYR 23 2.349 -9.722 -24.392 653 1HB TYR 23 1HB TYR 23 3.022 -8.366 -21.745 654 2HB TYR 23 2HB TYR 23 2.411 -9.989 -21.901 655 HD1 TYR 23 HD1 TYR 23 3.948 -11.222 -24.085 656 HD2 TYR 23 HD2 TYR 23 5.227 -8.658 -20.860 657 HE1 TYR 23 HE1 TYR 23 6.241 -12.115 -24.262 658 HE2 TYR 23 HE2 TYR 23 7.485 -9.587 -21.017 659 HH TYR 23 HH TYR 23 8.892 -10.999 -22.141 660 H VAL 24 H VAL 24 1.348 -6.621 -23.019 661 HA VAL 24 HA VAL 24 -1.440 -7.674 -22.697 662 HB VAL 24 HB VAL 24 -0.112 -5.206 -21.565 663 1HG1 VAL 24 1HG1 VAL 24 -2.507 -4.750 -21.885 664 2HG1 VAL 24 2HG1 VAL 24 -2.936 -6.347 -21.243 665 3HG1 VAL 24 3HG1 VAL 24 -2.250 -5.114 -20.175 666 1HG2 VAL 24 1HG2 VAL 24 -1.021 -7.801 -20.256 667 2HG2 VAL 24 2HG2 VAL 24 0.666 -7.305 -20.512 668 3HG2 VAL 24 3HG2 VAL 24 -0.366 -6.383 -19.413 669 H LYS 25 H LYS 25 0.467 -5.384 -24.636 670 HA LYS 25 HA LYS 25 -0.032 -4.218 -26.441 671 1HB LYS 25 1HB LYS 25 -0.670 -6.845 -26.796 672 2HB LYS 25 2HB LYS 25 -2.179 -6.085 -27.303 673 1HG LYS 25 1HG LYS 25 -0.672 -4.477 -28.660 674 2HG LYS 25 2HG LYS 25 0.664 -5.589 -28.287 675 1HD LYS 25 1HD LYS 25 -0.583 -7.451 -29.356 676 2HD LYS 25 2HD LYS 25 -1.928 -6.345 -29.720 677 1HE LYS 25 1HE LYS 25 -0.354 -4.921 -31.072 678 2HE LYS 25 2HE LYS 25 0.942 -6.093 -30.758 679 1HZ LYS 25 1HZ LYS 25 -0.371 -7.742 -31.881 680 2HZ LYS 25 2HZ LYS 25 -1.575 -6.650 -32.164 681 3HZ LYS 25 3HZ LYS 25 -0.098 -6.449 -32.868 682 H LEU 26 H LEU 26 -0.861 -2.539 -24.893 683 HA LEU 26 HA LEU 26 -3.516 -1.709 -25.871 684 1HB LEU 26 1HB LEU 26 -3.166 -2.956 -23.409 685 2HB LEU 26 2HB LEU 26 -3.082 -1.273 -22.942 686 HG LEU 26 HG LEU 26 -5.357 -1.978 -24.786 687 1HD1 LEU 26 1HD1 LEU 26 -5.294 -4.026 -23.513 688 2HD1 LEU 26 2HD1 LEU 26 -5.152 -3.136 -21.988 689 3HD1 LEU 26 3HD1 LEU 26 -6.649 -3.033 -22.945 690 1HD2 LEU 26 1HD2 LEU 26 -5.261 -0.588 -22.082 691 2HD2 LEU 26 2HD2 LEU 26 -5.055 0.238 -23.646 692 3HD2 LEU 26 3HD2 LEU 26 -6.595 -0.550 -23.252 693 HA PRO 27 HA PRO 27 -1.125 2.041 -26.151 694 1HB PRO 27 1HB PRO 27 -3.081 3.914 -26.585 695 2HB PRO 27 2HB PRO 27 -2.524 2.755 -27.823 696 1HG PRO 27 1HG PRO 27 -4.955 2.513 -26.038 697 2HG PRO 27 2HG PRO 27 -4.857 2.246 -27.801 698 1HD PRO 27 1HD PRO 27 -4.762 0.174 -26.045 699 2HD PRO 27 2HD PRO 27 -3.743 0.162 -27.513 700 H VAL 28 H VAL 28 -4.055 1.940 -24.027 701 HA VAL 28 HA VAL 28 -3.481 4.066 -22.344 702 HB VAL 28 HB VAL 28 -4.539 1.424 -21.443 703 1HG1 VAL 28 1HG1 VAL 28 -3.952 2.840 -19.554 704 2HG1 VAL 28 2HG1 VAL 28 -4.842 4.212 -20.243 705 3HG1 VAL 28 3HG1 VAL 28 -5.703 2.776 -19.662 706 1HG2 VAL 28 1HG2 VAL 28 -6.263 3.800 -22.244 707 2HG2 VAL 28 2HG2 VAL 28 -6.104 2.297 -23.200 708 3HG2 VAL 28 3HG2 VAL 28 -6.819 2.262 -21.591 709 H LEU 29 H LEU 29 -2.008 0.767 -22.290 710 HA LEU 29 HA LEU 29 -0.613 1.005 -19.868 711 1HB LEU 29 1HB LEU 29 -0.780 -0.806 -22.128 712 2HB LEU 29 2HB LEU 29 0.912 -0.424 -21.973 713 HG LEU 29 HG LEU 29 -0.158 -0.981 -19.353 714 1HD1 LEU 29 1HD1 LEU 29 -1.931 -2.209 -20.482 715 2HD1 LEU 29 2HD1 LEU 29 -0.737 -3.043 -21.498 716 3HD1 LEU 29 3HD1 LEU 29 -0.783 -3.349 -19.743 717 1HD2 LEU 29 1HD2 LEU 29 1.651 -2.748 -21.056 718 2HD2 LEU 29 2HD2 LEU 29 2.252 -1.263 -20.312 719 3HD2 LEU 29 3HD2 LEU 29 1.639 -2.589 -19.295 720 H ALA 30 H ALA 30 0.783 1.437 -23.118 721 HA ALA 30 HA ALA 30 3.053 2.676 -22.177 722 1HB ALA 30 1HB ALA 30 3.010 2.054 -24.512 723 2HB ALA 30 2HB ALA 30 1.621 3.117 -24.844 724 3HB ALA 30 3HB ALA 30 3.217 3.806 -24.490 725 H LYS 31 H LYS 31 -0.161 4.116 -22.594 726 HA LYS 31 HA LYS 31 0.902 6.821 -22.414 727 1HB LYS 31 1HB LYS 31 -1.321 5.910 -23.545 728 2HB LYS 31 2HB LYS 31 -2.018 6.292 -21.962 729 1HG LYS 31 1HG LYS 31 -1.324 8.630 -22.199 730 2HG LYS 31 2HG LYS 31 -0.311 8.239 -23.600 731 1HD LYS 31 1HD LYS 31 -2.302 7.547 -24.894 732 2HD LYS 31 2HD LYS 31 -3.349 8.029 -23.541 733 1HE LYS 31 1HE LYS 31 -2.586 10.363 -23.750 734 2HE LYS 31 2HE LYS 31 -1.395 9.903 -24.978 735 1HZ LYS 31 1HZ LYS 31 -3.169 9.267 -26.415 736 2HZ LYS 31 2HZ LYS 31 -4.303 9.662 -25.285 737 3HZ LYS 31 3HZ LYS 31 -3.352 10.835 -25.947 738 H ILE 32 H ILE 32 -0.172 4.371 -20.133 739 HA ILE 32 HA ILE 32 -0.473 6.195 -17.886 740 HB ILE 32 HB ILE 32 -0.197 3.176 -18.237 741 1HG1 ILE 32 1HG1 ILE 32 -2.343 4.829 -16.856 742 2HG1 ILE 32 2HG1 ILE 32 -2.416 4.446 -18.570 743 1HG2 ILE 32 1HG2 ILE 32 1.122 3.641 -16.270 744 2HG2 ILE 32 2HG2 ILE 32 -0.047 4.846 -15.714 745 3HG2 ILE 32 3HG2 ILE 32 -0.452 3.109 -15.713 746 1HD1 ILE 32 1HD1 ILE 32 -2.367 2.010 -18.031 747 2HD1 ILE 32 2HD1 ILE 32 -2.387 2.391 -16.298 748 3HD1 ILE 32 3HD1 ILE 32 -3.757 2.846 -17.299 749 H LEU 33 H LEU 33 1.977 3.846 -19.125 750 HA LEU 33 HA LEU 33 3.839 4.264 -17.070 751 1HB LEU 33 1HB LEU 33 5.329 3.039 -18.280 752 2HB LEU 33 2HB LEU 33 3.738 2.529 -18.869 753 HG LEU 33 HG LEU 33 4.072 3.955 -20.822 754 1HD1 LEU 33 1HD1 LEU 33 5.719 5.422 -20.956 755 2HD1 LEU 33 2HD1 LEU 33 6.473 4.795 -19.464 756 3HD1 LEU 33 3HD1 LEU 33 6.862 4.080 -21.041 757 1HD2 LEU 33 1HD2 LEU 33 6.124 1.792 -20.354 758 2HD2 LEU 33 2HD2 LEU 33 4.433 1.543 -20.872 759 3HD2 LEU 33 3HD2 LEU 33 5.570 2.361 -21.951 760 H GLU 34 H GLU 34 3.326 6.063 -20.155 761 HA GLU 34 HA GLU 34 5.493 7.814 -20.024 762 1HB GLU 34 1HB GLU 34 3.841 7.458 -21.942 763 2HB GLU 34 2HB GLU 34 2.714 8.499 -21.093 764 1HG GLU 34 1HG GLU 34 4.388 10.350 -21.146 765 2HG GLU 34 2HG GLU 34 5.509 9.290 -22.016 766 H ASP 35 H ASP 35 2.131 8.368 -18.951 767 HA ASP 35 HA ASP 35 2.518 10.954 -17.833 768 1HB ASP 35 1HB ASP 35 0.273 9.996 -18.101 769 2HB ASP 35 2HB ASP 35 0.641 8.763 -16.879 770 H GLU 36 H GLU 36 2.782 7.738 -16.280 771 HA GLU 36 HA GLU 36 3.486 8.595 -13.697 772 1HB GLU 36 1HB GLU 36 4.518 6.167 -15.191 773 2HB GLU 36 2HB GLU 36 4.563 6.386 -13.435 774 1HG GLU 36 1HG GLU 36 1.987 6.189 -15.065 775 2HG GLU 36 2HG GLU 36 2.786 4.825 -14.297 776 H GLU 37 H GLU 37 5.558 8.125 -16.645 777 HA GLU 37 HA GLU 37 8.027 8.384 -15.513 778 1HB GLU 37 1HB GLU 37 6.984 7.982 -18.001 779 2HB GLU 37 2HB GLU 37 7.478 9.651 -18.211 780 1HG GLU 37 1HG GLU 37 9.257 7.421 -17.119 781 2HG GLU 37 2HG GLU 37 9.000 7.750 -18.832 782 H LYS 38 H LYS 38 5.718 11.001 -16.192 783 HA LYS 38 HA LYS 38 7.631 13.130 -15.825 784 1HB LYS 38 1HB LYS 38 5.237 13.173 -16.845 785 2HB LYS 38 2HB LYS 38 4.670 13.224 -15.178 786 1HG LYS 38 1HG LYS 38 6.629 15.224 -15.152 787 2HG LYS 38 2HG LYS 38 6.131 15.267 -16.837 788 1HD LYS 38 1HD LYS 38 4.815 16.882 -15.710 789 2HD LYS 38 2HD LYS 38 3.715 15.519 -16.001 790 1HE LYS 38 1HE LYS 38 3.968 14.776 -13.658 791 2HE LYS 38 2HE LYS 38 5.251 15.967 -13.382 792 1HZ LYS 38 1HZ LYS 38 3.653 17.695 -13.741 793 2HZ LYS 38 2HZ LYS 38 2.452 16.593 -13.995 794 3HZ LYS 38 3HZ LYS 38 3.173 16.702 -12.517 795 H HIS 39 H HIS 39 5.534 11.292 -13.585 796 HA HIS 39 HA HIS 39 6.143 12.938 -11.279 797 1HB HIS 39 1HB HIS 39 5.068 10.114 -11.597 798 2HB HIS 39 2HB HIS 39 5.372 10.861 -10.043 799 HD1 HIS 39 HD1 HIS 39 4.141 13.511 -9.955 800 HD2 HIS 39 HD2 HIS 39 2.560 10.473 -12.414 801 HE1 HIS 39 HE1 HIS 39 1.679 14.125 -10.398 802 HE2 HIS 39 HE2 HIS 39 0.745 12.280 -11.908 803 H ILE 40 H ILE 40 7.658 10.117 -12.812 804 HA ILE 40 HA ILE 40 9.592 9.691 -10.718 805 HB ILE 40 HB ILE 40 10.027 9.015 -13.643 806 1HG1 ILE 40 1HG1 ILE 40 8.537 7.376 -11.553 807 2HG1 ILE 40 2HG1 ILE 40 7.796 8.174 -12.886 808 1HG2 ILE 40 1HG2 ILE 40 11.973 8.744 -12.076 809 2HG2 ILE 40 2HG2 ILE 40 10.965 7.764 -10.998 810 3HG2 ILE 40 3HG2 ILE 40 11.395 7.165 -12.605 811 1HD1 ILE 40 1HD1 ILE 40 9.293 6.961 -14.517 812 2HD1 ILE 40 2HD1 ILE 40 9.693 5.848 -13.227 813 3HD1 ILE 40 3HD1 ILE 40 8.000 6.083 -13.681 814 H GLU 41 H GLU 41 9.619 11.501 -13.785 815 HA GLU 41 HA GLU 41 12.184 12.540 -13.755 816 1HB GLU 41 1HB GLU 41 10.353 12.779 -15.563 817 2HB GLU 41 2HB GLU 41 9.708 14.111 -14.586 818 1HG GLU 41 1HG GLU 41 12.061 15.154 -14.746 819 2HG GLU 41 2HG GLU 41 12.385 13.927 -15.983 820 H TRP 42 H TRP 42 9.277 13.713 -11.957 821 HA TRP 42 HA TRP 42 10.358 16.060 -10.947 822 1HB TRP 42 1HB TRP 42 8.013 14.890 -10.745 823 2HB TRP 42 2HB TRP 42 8.664 14.225 -9.258 824 HD1 TRP 42 HD1 TRP 42 7.720 17.556 -10.854 825 HE1 TRP 42 HE1 TRP 42 7.521 19.384 -9.045 826 HE3 TRP 42 HE3 TRP 42 9.489 14.847 -7.013 827 HZ2 TRP 42 HZ2 TRP 42 8.060 19.533 -6.115 828 HZ3 TRP 42 HZ3 TRP 42 9.728 15.826 -4.707 829 HH2 TRP 42 HH2 TRP 42 9.010 18.170 -4.281 830 H LEU 43 H LEU 43 10.863 12.694 -9.862 831 HA LEU 43 HA LEU 43 12.400 13.437 -7.546 832 1HB LEU 43 1HB LEU 43 12.268 10.786 -9.005 833 2HB LEU 43 2HB LEU 43 13.245 11.086 -7.584 834 HG LEU 43 HG LEU 43 10.665 12.024 -6.866 835 1HD1 LEU 43 1HD1 LEU 43 9.682 10.737 -8.705 836 2HD1 LEU 43 2HD1 LEU 43 10.558 9.275 -8.206 837 3HD1 LEU 43 3HD1 LEU 43 9.300 9.960 -7.163 838 1HD2 LEU 43 1HD2 LEU 43 12.085 9.413 -6.186 839 2HD2 LEU 43 2HD2 LEU 43 12.338 10.970 -5.365 840 3HD2 LEU 43 3HD2 LEU 43 10.765 10.163 -5.260 841 H GLU 44 H GLU 44 13.272 13.741 -10.867 842 HA GLU 44 HA GLU 44 16.157 13.750 -10.150 843 1HB GLU 44 1HB GLU 44 14.756 14.131 -12.837 844 2HB GLU 44 2HB GLU 44 16.475 14.414 -12.535 845 1HG GLU 44 1HG GLU 44 16.574 12.017 -11.619 846 2HG GLU 44 2HG GLU 44 14.985 11.781 -12.390 847 H THR 45 H THR 45 13.486 15.730 -10.734 848 HA THR 45 HA THR 45 15.001 18.170 -11.164 849 HB THR 45 HB THR 45 12.450 17.447 -11.745 850 HG1 THR 45 HG1 THR 45 13.593 20.016 -11.513 851 1HG2 THR 45 1HG2 THR 45 11.524 17.824 -9.459 852 2HG2 THR 45 2HG2 THR 45 12.079 19.505 -9.535 853 3HG2 THR 45 3HG2 THR 45 10.860 18.905 -10.677 854 H ILE 46 H ILE 46 13.248 16.812 -8.478 855 HA ILE 46 HA ILE 46 13.450 18.703 -6.527 856 HB ILE 46 HB ILE 46 12.240 16.531 -6.431 857 1HG1 ILE 46 1HG1 ILE 46 12.500 16.008 -4.089 858 2HG1 ILE 46 2HG1 ILE 46 14.073 16.818 -4.006 859 1HG2 ILE 46 1HG2 ILE 46 14.015 15.179 -7.405 860 2HG2 ILE 46 2HG2 ILE 46 14.917 15.218 -5.890 861 3HG2 ILE 46 3HG2 ILE 46 13.315 14.471 -5.940 862 1HD1 ILE 46 1HD1 ILE 46 11.542 18.267 -4.874 863 2HD1 ILE 46 2HD1 ILE 46 12.028 18.139 -3.168 864 3HD1 ILE 46 3HD1 ILE 46 13.074 18.978 -4.328 865 H LEU 47 H LEU 47 16.054 16.457 -7.461 866 HA LEU 47 HA LEU 47 18.244 16.459 -7.092 867 1HB LEU 47 1HB LEU 47 17.484 19.023 -7.713 868 2HB LEU 47 2HB LEU 47 18.441 19.357 -6.299 869 HG LEU 47 HG LEU 47 19.323 17.651 -8.691 870 1HD1 LEU 47 1HD1 LEU 47 18.779 19.927 -9.405 871 2HD1 LEU 47 2HD1 LEU 47 19.840 20.600 -8.148 872 3HD1 LEU 47 3HD1 LEU 47 20.524 19.642 -9.483 873 1HD2 LEU 47 1HD2 LEU 47 20.982 18.986 -6.497 874 2HD2 LEU 47 2HD2 LEU 47 20.670 17.238 -6.639 875 3HD2 LEU 47 3HD2 LEU 47 21.614 18.073 -7.882 876 H GLY 48 H GLY 48 19.448 18.487 -4.915 877 1HA GLY 48 1HA GLY 48 19.790 18.480 -2.633 878 2HA GLY 48 2HA GLY 48 18.525 17.265 -2.412 879 1HN NH2 49 1HN NH2 49 19.168 15.030 -3.620 880 2HN NH2 49 2HN NH2 49 20.816 14.467 -3.232 Start of MODEL 5 1 1H ACE 0 H1 ACE 0 4.382 16.147 1.498 2 2H ACE 0 H2 ACE 0 5.386 17.578 1.311 3 3H ACE 0 H3 ACE 0 4.826 16.706 -0.109 4 H ASP 1 H ASP 1 5.538 14.182 1.920 5 HA ASP 1 HA ASP 1 8.355 14.145 1.086 6 1HB ASP 1 1HB ASP 1 8.451 13.134 3.449 7 2HB ASP 1 2HB ASP 1 8.356 14.901 3.249 8 H TYR 2 H TYR 2 6.493 11.785 3.041 9 HA TYR 2 HA TYR 2 7.917 9.679 1.885 10 1HB TYR 2 1HB TYR 2 6.549 8.334 3.304 11 2HB TYR 2 2HB TYR 2 7.056 9.788 4.118 12 HD1 TYR 2 HD1 TYR 2 5.477 11.153 5.254 13 HD2 TYR 2 HD2 TYR 2 4.114 8.153 2.478 14 HE1 TYR 2 HE1 TYR 2 3.131 11.700 5.803 15 HE2 TYR 2 HE2 TYR 2 1.782 8.579 3.161 16 HH TYR 2 HH TYR 2 0.363 10.042 4.262 17 H LEU 3 H LEU 3 4.599 10.780 1.515 18 HA LEU 3 HA LEU 3 3.855 8.731 -0.266 19 1HB LEU 3 1HB LEU 3 1.796 10.340 -0.713 20 2HB LEU 3 2HB LEU 3 2.008 9.420 0.774 21 HG LEU 3 HG LEU 3 2.844 11.230 1.968 22 1HD1 LEU 3 1HD1 LEU 3 4.072 12.619 0.473 23 2HD1 LEU 3 2HD1 LEU 3 2.680 12.812 -0.616 24 3HD1 LEU 3 3HD1 LEU 3 2.679 13.586 0.983 25 1HD2 LEU 3 1HD2 LEU 3 0.398 12.340 0.574 26 2HD2 LEU 3 2HD2 LEU 3 0.306 10.876 1.573 27 3HD2 LEU 3 3HD2 LEU 3 0.832 12.405 2.294 28 H ARG 4 H ARG 4 5.624 11.587 -0.934 29 HA ARG 4 HA ARG 4 4.817 12.018 -3.621 30 1HB ARG 4 1HB ARG 4 7.532 12.323 -2.271 31 2HB ARG 4 2HB ARG 4 7.199 12.779 -3.943 32 1HG ARG 4 1HG ARG 4 5.262 14.194 -3.114 33 2HG ARG 4 2HG ARG 4 5.824 13.913 -1.465 34 1HD ARG 4 1HD ARG 4 7.428 15.200 -3.730 35 2HD ARG 4 2HD ARG 4 6.567 16.068 -2.442 36 HE ARG 4 HE ARG 4 8.388 14.198 -1.274 37 1HH1 ARG 4 1HH2 ARG 4 8.303 17.224 -3.074 38 2HH1 ARG 4 2HH2 ARG 4 9.721 17.907 -2.333 39 1HH2 ARG 4 1HH1 ARG 4 10.249 15.089 -0.228 40 2HH2 ARG 4 2HH1 ARG 4 10.831 16.675 -0.655 41 H GLU 5 H GLU 5 6.798 9.411 -2.163 42 HA GLU 5 HA GLU 5 7.565 8.536 -4.906 43 1HB GLU 5 1HB GLU 5 8.429 7.543 -2.169 44 2HB GLU 5 2HB GLU 5 8.750 6.685 -3.680 45 1HG GLU 5 1HG GLU 5 9.723 8.907 -4.583 46 2HG GLU 5 2HG GLU 5 9.767 9.432 -2.891 47 H LEU 6 H LEU 6 4.858 8.208 -2.992 48 HA LEU 6 HA LEU 6 4.172 5.587 -4.258 49 1HB LEU 6 1HB LEU 6 3.616 6.690 -1.520 50 2HB LEU 6 2HB LEU 6 2.714 5.324 -2.206 51 HG LEU 6 HG LEU 6 5.754 5.244 -1.918 52 1HD1 LEU 6 1HD1 LEU 6 4.726 5.721 0.206 53 2HD1 LEU 6 2HD1 LEU 6 3.531 4.446 -0.022 54 3HD1 LEU 6 3HD1 LEU 6 5.270 4.046 0.128 55 1HD2 LEU 6 1HD2 LEU 6 3.627 3.271 -2.721 56 2HD2 LEU 6 2HD2 LEU 6 5.152 3.669 -3.508 57 3HD2 LEU 6 3HD2 LEU 6 5.165 2.768 -1.999 58 H LEU 7 H LEU 7 3.766 8.648 -4.920 59 HA LEU 7 HA LEU 7 0.986 8.245 -5.631 60 1HB LEU 7 1HB LEU 7 0.105 10.118 -4.762 61 2HB LEU 7 2HB LEU 7 1.324 9.801 -3.552 62 HG LEU 7 HG LEU 7 2.824 11.439 -4.944 63 1HD1 LEU 7 1HD1 LEU 7 0.730 11.451 -6.765 64 2HD1 LEU 7 2HD1 LEU 7 0.262 12.797 -5.741 65 3HD1 LEU 7 3HD1 LEU 7 1.840 12.814 -6.541 66 1HD2 LEU 7 1HD2 LEU 7 0.430 12.512 -3.423 67 2HD2 LEU 7 2HD2 LEU 7 1.944 11.923 -2.713 68 3HD2 LEU 7 3HD2 LEU 7 1.959 13.359 -3.751 69 H LYS 8 H LYS 8 3.988 10.158 -6.069 70 HA LYS 8 HA LYS 8 3.158 11.161 -8.519 71 1HB LYS 8 1HB LYS 8 4.998 11.932 -6.818 72 2HB LYS 8 2HB LYS 8 6.064 10.849 -7.739 73 1HG LYS 8 1HG LYS 8 5.337 12.092 -9.816 74 2HG LYS 8 2HG LYS 8 4.423 13.218 -8.785 75 1HD LYS 8 1HD LYS 8 6.396 14.034 -7.702 76 2HD LYS 8 2HD LYS 8 7.358 12.661 -8.253 77 1HE LYS 8 1HE LYS 8 6.418 13.856 -10.653 78 2HE LYS 8 2HE LYS 8 6.860 15.215 -9.613 79 1HZ LYS 8 1HZ LYS 8 9.009 14.245 -9.351 80 2HZ LYS 8 2HZ LYS 8 8.570 12.890 -10.179 81 3HZ LYS 8 3HZ LYS 8 8.672 14.333 -10.965 82 H LEU 9 H LEU 9 5.413 8.506 -7.692 83 HA LEU 9 HA LEU 9 5.791 7.552 -10.385 84 1HB LEU 9 1HB LEU 9 6.130 6.302 -7.645 85 2HB LEU 9 2HB LEU 9 6.346 5.363 -9.124 86 HG LEU 9 HG LEU 9 7.759 7.965 -9.225 87 1HD1 LEU 9 1HD1 LEU 9 8.172 7.698 -6.920 88 2HD1 LEU 9 2HD1 LEU 9 8.482 5.954 -7.071 89 3HD1 LEU 9 3HD1 LEU 9 9.635 7.131 -7.740 90 1HD2 LEU 9 1HD2 LEU 9 8.730 5.093 -9.587 91 2HD2 LEU 9 2HD2 LEU 9 8.021 6.092 -10.874 92 3HD2 LEU 9 3HD2 LEU 9 9.553 6.570 -10.126 93 H GLU 10 H GLU 10 3.395 6.752 -7.777 94 HA GLU 10 HA GLU 10 2.085 4.738 -9.199 95 1HB GLU 10 1HB GLU 10 1.004 6.826 -7.287 96 2HB GLU 10 2HB GLU 10 0.062 5.533 -7.966 97 1HG GLU 10 1HG GLU 10 2.545 4.982 -6.282 98 2HG GLU 10 2HG GLU 10 0.902 5.121 -5.642 99 H LEU 11 H LEU 11 1.703 8.308 -9.569 100 HA LEU 11 HA LEU 11 -0.587 8.264 -11.185 101 1HB LEU 11 1HB LEU 11 0.560 10.359 -10.363 102 2HB LEU 11 2HB LEU 11 1.853 10.064 -11.530 103 HG LEU 11 HG LEU 11 0.057 10.169 -13.380 104 1HD1 LEU 11 1HD1 LEU 11 -1.950 9.956 -11.945 105 2HD1 LEU 11 2HD1 LEU 11 -1.508 11.452 -11.096 106 3HD1 LEU 11 3HD1 LEU 11 -1.950 11.496 -12.815 107 1HD2 LEU 11 1HD2 LEU 11 0.658 12.670 -11.773 108 2HD2 LEU 11 2HD2 LEU 11 1.730 11.918 -12.977 109 3HD2 LEU 11 3HD2 LEU 11 0.171 12.589 -13.483 110 H GLN 12 H GLN 12 2.837 8.035 -12.311 111 HA GLN 12 HA GLN 12 2.104 7.781 -15.068 112 1HB GLN 12 1HB GLN 12 4.325 6.842 -15.461 113 2HB GLN 12 2HB GLN 12 4.423 8.342 -14.534 114 1HG GLN 12 1HG GLN 12 5.079 7.262 -12.585 115 2HG GLN 12 2HG GLN 12 4.337 5.717 -13.068 116 1HE2 GLN 12 2HE2 GLN 12 6.201 4.676 -12.310 117 2HE2 GLN 12 1HE2 GLN 12 7.603 4.575 -13.369 118 H LEU 13 H LEU 13 2.007 5.456 -12.435 119 HA LEU 13 HA LEU 13 2.006 3.123 -14.169 120 1HB LEU 13 1HB LEU 13 1.174 3.348 -11.258 121 2HB LEU 13 2HB LEU 13 1.389 1.893 -12.221 122 HG LEU 13 HG LEU 13 3.499 3.845 -11.274 123 1HD1 LEU 13 1HD1 LEU 13 2.748 2.064 -9.840 124 2HD1 LEU 13 2HD1 LEU 13 3.121 0.844 -11.095 125 3HD1 LEU 13 3HD1 LEU 13 4.423 1.800 -10.372 126 1HD2 LEU 13 1HD2 LEU 13 3.916 1.676 -13.376 127 2HD2 LEU 13 2HD2 LEU 13 4.132 3.423 -13.633 128 3HD2 LEU 13 3HD2 LEU 13 5.190 2.586 -12.518 129 H ILE 14 H ILE 14 -0.468 4.915 -12.241 130 HA ILE 14 HA ILE 14 -2.659 3.391 -13.243 131 HB ILE 14 HB ILE 14 -2.460 6.353 -12.412 132 1HG1 ILE 14 2HG1 ILE 14 -1.857 5.145 -10.502 133 2HG1 ILE 14 3HG1 ILE 14 -3.581 5.376 -10.284 134 1HG2 ILE 14 1HG2 ILE 14 -4.517 5.960 -13.749 135 2HG2 ILE 14 2HG2 ILE 14 -4.964 4.628 -12.667 136 3HG2 ILE 14 3HG2 ILE 14 -4.873 6.304 -12.063 137 1HD1 ILE 14 1HD1 ILE 14 -3.893 3.028 -11.288 138 2HD1 ILE 14 2HD1 ILE 14 -2.119 2.855 -11.182 139 3HD1 ILE 14 3HD1 ILE 14 -3.063 3.105 -9.726 140 H LYS 15 H LYS 15 -1.092 6.245 -14.613 141 HA LYS 15 HA LYS 15 -2.708 6.247 -16.952 142 1HB LYS 15 1HB LYS 15 -0.558 7.773 -15.939 143 2HB LYS 15 2HB LYS 15 0.094 7.036 -17.368 144 1HG LYS 15 1HG LYS 15 -0.890 8.916 -18.349 145 2HG LYS 15 2HG LYS 15 -2.331 7.894 -18.357 146 1HD LYS 15 1HD LYS 15 -2.743 8.839 -15.936 147 2HD LYS 15 2HD LYS 15 -1.495 10.021 -16.334 148 1HE LYS 15 1HE LYS 15 -3.353 10.025 -18.538 149 2HE LYS 15 2HE LYS 15 -4.322 9.965 -17.060 150 1HZ LYS 15 1HZ LYS 15 -3.087 11.882 -16.282 151 2HZ LYS 15 2HZ LYS 15 -2.260 11.949 -17.706 152 3HZ LYS 15 3HZ LYS 15 -3.889 12.187 -17.687 153 H GLN 16 H GLN 16 0.431 4.570 -16.340 154 HA GLN 16 HA GLN 16 0.737 3.523 -19.005 155 1HB GLN 16 1HB GLN 16 1.909 2.841 -16.308 156 2HB GLN 16 2HB GLN 16 2.217 1.787 -17.675 157 1HG GLN 16 1HG GLN 16 3.386 3.376 -18.895 158 2HG GLN 16 2HG GLN 16 2.690 4.741 -18.003 159 1HE2 GLN 16 2HE2 GLN 16 4.840 5.585 -17.660 160 2HE2 GLN 16 1HE2 GLN 16 5.870 4.889 -16.423 161 H TYR 17 H TYR 17 -1.046 2.436 -16.180 162 HA TYR 17 HA TYR 17 -1.347 -0.295 -17.056 163 1HB TYR 17 1HB TYR 17 -2.077 1.336 -14.753 164 2HB TYR 17 2HB TYR 17 -3.508 0.633 -15.380 165 HD1 TYR 17 HD1 TYR 17 -3.437 -1.931 -15.869 166 HD2 TYR 17 HD2 TYR 17 -1.037 0.173 -12.998 167 HE1 TYR 17 HE1 TYR 17 -3.392 -3.966 -14.407 168 HE2 TYR 17 HE2 TYR 17 -1.139 -1.792 -11.493 169 HH TYR 17 HH TYR 17 -2.542 -4.912 -12.458 170 H ARG 18 H ARG 18 -2.945 2.758 -17.704 171 HA ARG 18 HA ARG 18 -5.278 1.535 -18.991 172 1HB ARG 18 1HB ARG 18 -4.356 4.421 -18.844 173 2HB ARG 18 2HB ARG 18 -5.670 3.851 -19.879 174 1HG ARG 18 1HG ARG 18 -6.606 2.735 -17.712 175 2HG ARG 18 2HG ARG 18 -5.523 3.837 -16.870 176 1HD ARG 18 1HD ARG 18 -7.643 4.990 -17.019 177 2HD ARG 18 2HD ARG 18 -6.690 5.688 -18.322 178 HE ARG 18 HE ARG 18 -8.090 4.724 -19.888 179 1HH1 ARG 18 1HH2 ARG 18 -8.636 3.186 -16.764 180 2HH1 ARG 18 2HH2 ARG 18 -10.047 2.296 -17.262 181 1HH2 ARG 18 1HH1 ARG 18 -9.874 3.501 -20.611 182 2HH2 ARG 18 2HH1 ARG 18 -10.744 2.454 -19.524 183 H GLU 19 H GLU 19 -2.231 3.034 -19.859 184 HA GLU 19 HA GLU 19 -2.611 2.856 -22.685 185 1HB GLU 19 1HB GLU 19 -0.736 4.118 -21.317 186 2HB GLU 19 2HB GLU 19 0.146 2.586 -21.504 187 1HG GLU 19 1HG GLU 19 -0.301 2.731 -24.000 188 2HG GLU 19 2HG GLU 19 -1.050 4.312 -23.729 189 H ALA 20 H ALA 20 -1.330 0.484 -20.286 190 HA ALA 20 HA ALA 20 -0.599 -1.341 -22.469 191 1HB ALA 20 1HB ALA 20 0.795 -1.643 -20.717 192 2HB ALA 20 2HB ALA 20 -0.486 -1.475 -19.501 193 3HB ALA 20 3HB ALA 20 -0.389 -2.955 -20.510 194 H LEU 21 H LEU 21 -3.424 -0.912 -20.332 195 HA LEU 21 HA LEU 21 -4.843 -3.223 -20.704 196 1HB LEU 21 1HB LEU 21 -6.054 -1.801 -19.451 197 2HB LEU 21 2HB LEU 21 -5.444 -0.395 -20.270 198 HG LEU 21 HG LEU 21 -7.096 -0.749 -22.125 199 1HD1 LEU 21 1HD1 LEU 21 -7.509 -3.248 -21.414 200 2HD1 LEU 21 2HD1 LEU 21 -8.545 -2.568 -20.163 201 3HD1 LEU 21 3HD1 LEU 21 -8.900 -2.256 -21.876 202 1HD2 LEU 21 1HD2 LEU 21 -7.865 -0.182 -19.257 203 2HD2 LEU 21 2HD2 LEU 21 -7.483 0.960 -20.550 204 3HD2 LEU 21 3HD2 LEU 21 -9.005 0.047 -20.608 205 H GLU 22 H GLU 22 -4.442 -0.706 -23.185 206 HA GLU 22 HA GLU 22 -6.314 -1.972 -25.018 207 1HB GLU 22 1HB GLU 22 -5.473 -0.264 -26.654 208 2HB GLU 22 2HB GLU 22 -6.224 0.393 -25.192 209 1HG GLU 22 1HG GLU 22 -4.143 0.988 -24.243 210 2HG GLU 22 2HG GLU 22 -3.228 0.069 -25.473 211 H TYR 23 H TYR 23 -2.846 -2.117 -24.398 212 HA TYR 23 HA TYR 23 -2.266 -3.441 -26.935 213 1HB TYR 23 1HB TYR 23 -0.708 -2.530 -24.489 214 2HB TYR 23 2HB TYR 23 -0.025 -3.694 -25.596 215 HD1 TYR 23 HD1 TYR 23 0.213 -0.355 -24.879 216 HD2 TYR 23 HD2 TYR 23 -0.488 -2.977 -28.235 217 HE1 TYR 23 HE1 TYR 23 1.079 1.367 -26.417 218 HE2 TYR 23 HE2 TYR 23 0.287 -1.209 -29.776 219 HH TYR 23 HH TYR 23 1.417 1.964 -28.610 220 H VAL 24 H VAL 24 -2.989 -4.303 -23.616 221 HA VAL 24 HA VAL 24 -2.074 -7.097 -24.039 222 HB VAL 24 HB VAL 24 -3.278 -5.669 -21.686 223 1HG1 VAL 24 1HG1 VAL 24 -3.948 -7.991 -21.437 224 2HG1 VAL 24 2HG1 VAL 24 -2.381 -8.572 -22.033 225 3HG1 VAL 24 3HG1 VAL 24 -2.494 -7.824 -20.442 226 1HG2 VAL 24 1HG2 VAL 24 -0.476 -6.801 -22.045 227 2HG2 VAL 24 2HG2 VAL 24 -0.885 -5.090 -22.273 228 3HG2 VAL 24 3HG2 VAL 24 -1.081 -5.839 -20.683 229 H LYS 25 H LYS 25 -5.057 -5.228 -24.225 230 HA LYS 25 HA LYS 25 -7.141 -5.797 -24.901 231 1HB LYS 25 1HB LYS 25 -5.533 -8.022 -26.172 232 2HB LYS 25 2HB LYS 25 -7.288 -8.168 -26.132 233 1HG LYS 25 1HG LYS 25 -7.600 -6.067 -27.243 234 2HG LYS 25 2HG LYS 25 -5.849 -5.746 -27.254 235 1HD LYS 25 1HD LYS 25 -5.414 -7.571 -28.724 236 2HD LYS 25 2HD LYS 25 -7.010 -8.300 -28.467 237 1HE LYS 25 1HE LYS 25 -8.131 -6.526 -29.666 238 2HE LYS 25 2HE LYS 25 -6.640 -5.568 -29.770 239 1HZ LYS 25 1HZ LYS 25 -5.704 -7.263 -31.143 240 2HZ LYS 25 2HZ LYS 25 -7.067 -8.185 -31.040 241 3HZ LYS 25 3HZ LYS 25 -7.114 -6.722 -31.801 242 H LEU 26 H LEU 26 -7.167 -5.862 -22.404 243 HA LEU 26 HA LEU 26 -8.778 -8.261 -21.766 244 1HB LEU 26 1HB LEU 26 -6.350 -8.665 -21.102 245 2HB LEU 26 2HB LEU 26 -6.520 -7.286 -20.016 246 HG LEU 26 HG LEU 26 -8.563 -8.616 -19.047 247 1HD1 LEU 26 1HD1 LEU 26 -8.490 -10.381 -20.895 248 2HD1 LEU 26 2HD1 LEU 26 -6.955 -10.934 -20.201 249 3HD1 LEU 26 3HD1 LEU 26 -8.446 -11.021 -19.241 250 1HD2 LEU 26 1HD2 LEU 26 -5.656 -9.461 -18.661 251 2HD2 LEU 26 2HD2 LEU 26 -6.495 -8.151 -17.802 252 3HD2 LEU 26 3HD2 LEU 26 -6.982 -9.830 -17.542 253 HA PRO 27 HA PRO 27 -10.889 -4.657 -19.993 254 1HB PRO 27 1HB PRO 27 -13.171 -5.848 -19.065 255 2HB PRO 27 2HB PRO 27 -12.881 -5.450 -20.782 256 1HG PRO 27 1HG PRO 27 -12.607 -8.127 -19.422 257 2HG PRO 27 2HG PRO 27 -13.270 -7.762 -21.039 258 1HD PRO 27 1HD PRO 27 -10.694 -8.688 -20.578 259 2HD PRO 27 2HD PRO 27 -11.134 -7.696 -21.998 260 H VAL 28 H VAL 28 -10.500 -7.786 -18.283 261 HA VAL 28 HA VAL 28 -10.713 -7.000 -15.616 262 HB VAL 28 HB VAL 28 -8.753 -8.875 -16.847 263 1HG1 VAL 28 1HG1 VAL 28 -7.813 -8.286 -14.700 264 2HG1 VAL 28 2HG1 VAL 28 -9.385 -8.540 -13.897 265 3HG1 VAL 28 3HG1 VAL 28 -8.476 -9.901 -14.568 266 1HG2 VAL 28 1HG2 VAL 28 -11.171 -9.677 -15.219 267 2HG2 VAL 28 2HG2 VAL 28 -11.069 -9.765 -17.010 268 3HG2 VAL 28 3HG2 VAL 28 -10.012 -10.746 -15.993 269 H LEU 29 H LEU 29 -8.151 -6.093 -17.972 270 HA LEU 29 HA LEU 29 -6.244 -5.321 -15.975 271 1HB LEU 29 1HB LEU 29 -6.497 -5.253 -18.879 272 2HB LEU 29 2HB LEU 29 -5.835 -3.740 -18.297 273 HG LEU 29 HG LEU 29 -4.712 -6.311 -17.156 274 1HD1 LEU 29 1HD1 LEU 29 -4.447 -7.060 -19.276 275 2HD1 LEU 29 2HD1 LEU 29 -4.546 -5.435 -19.998 276 3HD1 LEU 29 3HD1 LEU 29 -3.045 -5.975 -19.206 277 1HD2 LEU 29 1HD2 LEU 29 -3.343 -3.771 -18.109 278 2HD2 LEU 29 2HD2 LEU 29 -4.140 -3.893 -16.527 279 3HD2 LEU 29 3HD2 LEU 29 -2.797 -4.993 -16.916 280 H ALA 30 H ALA 30 -8.566 -3.306 -17.885 281 HA ALA 30 HA ALA 30 -8.103 -0.930 -16.265 282 1HB ALA 30 1HB ALA 30 -9.633 -1.431 -18.530 283 2HB ALA 30 2HB ALA 30 -10.863 -1.297 -17.267 284 3HB ALA 30 3HB ALA 30 -9.714 0.028 -17.527 285 H LYS 31 H LYS 31 -10.124 -3.743 -15.700 286 HA LYS 31 HA LYS 31 -11.399 -2.379 -13.454 287 1HB LYS 31 1HB LYS 31 -11.678 -4.897 -14.882 288 2HB LYS 31 2HB LYS 31 -11.644 -5.213 -13.145 289 1HG LYS 31 1HG LYS 31 -13.545 -3.904 -12.738 290 2HG LYS 31 2HG LYS 31 -13.378 -2.961 -14.229 291 1HD LYS 31 1HD LYS 31 -14.121 -4.653 -15.634 292 2HD LYS 31 2HD LYS 31 -13.885 -5.936 -14.436 293 1HE LYS 31 1HE LYS 31 -15.914 -3.692 -14.007 294 2HE LYS 31 2HE LYS 31 -16.308 -5.175 -14.894 295 1HZ LYS 31 1HZ LYS 31 -15.566 -6.412 -12.942 296 2HZ LYS 31 2HZ LYS 31 -15.429 -5.002 -12.102 297 3HZ LYS 31 3HZ LYS 31 -16.899 -5.485 -12.670 298 H ILE 32 H ILE 32 -8.524 -4.370 -13.851 299 HA ILE 32 HA ILE 32 -8.095 -4.684 -10.979 300 HB ILE 32 HB ILE 32 -6.491 -5.138 -13.505 301 1HG1 ILE 32 2HG1 ILE 32 -7.327 -6.873 -11.128 302 2HG1 ILE 32 3HG1 ILE 32 -8.080 -6.831 -12.705 303 1HG2 ILE 32 1HG2 ILE 32 -4.836 -4.090 -12.093 304 2HG2 ILE 32 2HG2 ILE 32 -5.259 -5.145 -10.740 305 3HG2 ILE 32 3HG2 ILE 32 -4.515 -5.810 -12.206 306 1HD1 ILE 32 1HD1 ILE 32 -5.843 -7.614 -13.675 307 2HD1 ILE 32 2HD1 ILE 32 -5.308 -7.871 -11.997 308 3HD1 ILE 32 3HD1 ILE 32 -6.689 -8.772 -12.621 309 H LEU 33 H LEU 33 -6.874 -2.520 -13.540 310 HA LEU 33 HA LEU 33 -5.089 -1.156 -11.932 311 1HB LEU 33 1HB LEU 33 -4.646 0.212 -13.590 312 2HB LEU 33 2HB LEU 33 -5.311 -1.217 -14.401 313 HG LEU 33 HG LEU 33 -7.480 0.064 -14.521 314 1HD1 LEU 33 1HD1 LEU 33 -7.615 1.980 -13.423 315 2HD1 LEU 33 2HD1 LEU 33 -5.848 2.091 -13.210 316 3HD1 LEU 33 3HD1 LEU 33 -6.620 2.672 -14.706 317 1HD2 LEU 33 1HD2 LEU 33 -5.295 1.412 -16.081 318 2HD2 LEU 33 2HD2 LEU 33 -5.647 -0.314 -16.347 319 3HD2 LEU 33 3HD2 LEU 33 -6.905 0.904 -16.605 320 H GLU 34 H GLU 34 -8.573 -0.658 -12.619 321 HA GLU 34 HA GLU 34 -8.999 1.868 -11.469 322 1HB GLU 34 1HB GLU 34 -10.560 0.533 -12.907 323 2HB GLU 34 2HB GLU 34 -10.973 -0.453 -11.526 324 1HG GLU 34 1HG GLU 34 -11.189 2.585 -11.397 325 2HG GLU 34 2HG GLU 34 -12.437 1.633 -12.210 326 H ASP 35 H ASP 35 -9.458 -1.355 -10.097 327 HA ASP 35 HA ASP 35 -10.207 -0.602 -7.493 328 1HB ASP 35 1HB ASP 35 -9.657 -3.031 -8.770 329 2HB ASP 35 2HB ASP 35 -8.332 -2.915 -7.615 330 H GLU 36 H GLU 36 -6.956 -1.142 -8.871 331 HA GLU 36 HA GLU 36 -5.442 -0.462 -6.562 332 1HB GLU 36 1HB GLU 36 -4.679 -0.003 -9.470 333 2HB GLU 36 2HB GLU 36 -3.585 -0.061 -8.097 334 1HG GLU 36 1HG GLU 36 -5.334 -2.476 -8.728 335 2HG GLU 36 2HG GLU 36 -3.827 -2.178 -9.597 336 H GLU 37 H GLU 37 -6.736 1.612 -9.171 337 HA GLU 37 HA GLU 37 -5.515 3.967 -8.630 338 1HB GLU 37 1HB GLU 37 -7.534 3.078 -10.271 339 2HB GLU 37 2HB GLU 37 -8.466 4.148 -9.225 340 1HG GLU 37 1HG GLU 37 -5.862 5.068 -10.452 341 2HG GLU 37 2HG GLU 37 -7.270 4.861 -11.486 342 H LYS 38 H LYS 38 -8.277 2.561 -6.867 343 HA LYS 38 HA LYS 38 -8.716 4.857 -5.210 344 1HB LYS 38 1HB LYS 38 -10.323 3.047 -5.558 345 2HB LYS 38 2HB LYS 38 -9.283 1.911 -4.679 346 1HG LYS 38 1HG LYS 38 -9.568 3.047 -2.604 347 2HG LYS 38 2HG LYS 38 -10.055 4.555 -3.395 348 1HD LYS 38 1HD LYS 38 -12.181 3.394 -4.150 349 2HD LYS 38 2HD LYS 38 -11.729 2.039 -3.088 350 1HE LYS 38 1HE LYS 38 -11.553 3.710 -1.177 351 2HE LYS 38 2HE LYS 38 -12.123 4.979 -2.277 352 1HZ LYS 38 1HZ LYS 38 -14.161 3.842 -2.512 353 2HZ LYS 38 2HZ LYS 38 -13.636 2.553 -1.624 354 3HZ LYS 38 3HZ LYS 38 -13.851 4.021 -0.902 355 H HIS 39 H HIS 39 -6.597 2.003 -4.812 356 HA HIS 39 HA HIS 39 -5.678 2.623 -2.160 357 1HB HIS 39 1HB HIS 39 -4.401 1.061 -4.457 358 2HB HIS 39 2HB HIS 39 -3.649 1.294 -2.912 359 HD1 HIS 39 HD1 HIS 39 -5.788 0.689 -0.856 360 HD2 HIS 39 HD2 HIS 39 -5.639 -1.273 -4.575 361 HE1 HIS 39 HE1 HIS 39 -7.151 -1.484 -0.603 362 HE2 HIS 39 HE2 HIS 39 -7.092 -2.619 -2.909 363 H ILE 40 H ILE 40 -4.557 3.580 -5.401 364 HA ILE 40 HA ILE 40 -2.345 5.176 -4.445 365 HB ILE 40 HB ILE 40 -3.865 5.215 -7.096 366 1HG1 ILE 40 2HG1 ILE 40 -1.634 4.281 -7.893 367 2HG1 ILE 40 3HG1 ILE 40 -1.206 4.060 -6.174 368 1HG2 ILE 40 1HG2 ILE 40 -2.793 7.430 -6.731 369 2HG2 ILE 40 2HG2 ILE 40 -1.267 6.618 -6.328 370 3HG2 ILE 40 3HG2 ILE 40 -1.945 6.518 -7.966 371 1HD1 ILE 40 1HD1 ILE 40 -2.897 2.323 -6.009 372 2HD1 ILE 40 2HD1 ILE 40 -3.509 2.782 -7.630 373 3HD1 ILE 40 3HD1 ILE 40 -1.922 2.029 -7.451 374 H GLU 41 H GLU 41 -5.736 5.848 -5.224 375 HA GLU 41 HA GLU 41 -5.729 8.610 -4.936 376 1HB GLU 41 1HB GLU 41 -7.682 7.058 -5.695 377 2HB GLU 41 2HB GLU 41 -8.049 6.941 -3.959 378 1HG GLU 41 1HG GLU 41 -7.931 9.586 -4.067 379 2HG GLU 41 2HG GLU 41 -8.087 9.342 -5.808 380 H TRP 42 H TRP 42 -5.804 6.028 -2.384 381 HA TRP 42 HA TRP 42 -6.483 7.623 -0.224 382 1HB TRP 42 1HB TRP 42 -5.961 5.081 -0.476 383 2HB TRP 42 2HB TRP 42 -4.332 5.539 -0.014 384 HD1 TRP 42 HD1 TRP 42 -7.869 5.350 1.339 385 HE1 TRP 42 HE1 TRP 42 -7.867 5.743 3.952 386 HE3 TRP 42 HE3 TRP 42 -3.065 6.684 1.865 387 HZ2 TRP 42 HZ2 TRP 42 -5.917 6.439 5.949 388 HZ3 TRP 42 HZ3 TRP 42 -2.086 7.229 4.138 389 HH2 TRP 42 HH2 TRP 42 -3.530 7.126 6.158 390 H LEU 43 H LEU 43 -3.411 7.321 -1.945 391 HA LEU 43 HA LEU 43 -1.924 9.092 -0.139 392 1HB LEU 43 1HB LEU 43 -1.174 8.009 -2.886 393 2HB LEU 43 2HB LEU 43 -0.150 8.928 -1.795 394 HG LEU 43 HG LEU 43 -1.143 6.818 -0.179 395 1HD1 LEU 43 1HD1 LEU 43 -1.935 5.670 -2.187 396 2HD1 LEU 43 2HD1 LEU 43 -0.329 5.724 -2.909 397 3HD1 LEU 43 3HD1 LEU 43 -0.606 4.783 -1.441 398 1HD2 LEU 43 1HD2 LEU 43 1.499 7.318 -1.554 399 2HD2 LEU 43 2HD2 LEU 43 1.055 7.597 0.133 400 3HD2 LEU 43 3HD2 LEU 43 1.255 5.945 -0.447 401 H GLU 44 H GLU 44 -3.556 9.354 -3.319 402 HA GLU 44 HA GLU 44 -2.933 12.256 -3.466 403 1HB GLU 44 1HB GLU 44 -4.501 10.449 -5.352 404 2HB GLU 44 2HB GLU 44 -4.293 12.180 -5.551 405 1HG GLU 44 1HG GLU 44 -1.687 11.450 -5.221 406 2HG GLU 44 2HG GLU 44 -2.328 10.019 -6.046 407 H THR 45 H THR 45 -4.630 11.220 -1.195 408 HA THR 45 HA THR 45 -6.583 13.394 -1.473 409 HB THR 45 HB THR 45 -7.546 11.151 -2.341 410 HG1 THR 45 HG1 THR 45 -8.699 13.056 -0.661 411 1HG2 THR 45 1HG2 THR 45 -6.984 9.744 -0.384 412 2HG2 THR 45 2HG2 THR 45 -8.179 10.650 0.566 413 3HG2 THR 45 3HG2 THR 45 -8.680 9.715 -0.863 414 H ILE 46 H ILE 46 -5.462 10.687 0.450 415 HA ILE 46 HA ILE 46 -5.200 10.347 2.647 416 HB ILE 46 HB ILE 46 -3.113 11.260 1.927 417 1HG1 ILE 46 2HG1 ILE 46 -2.149 12.027 4.023 418 2HG1 ILE 46 3HG1 ILE 46 -3.747 12.259 4.732 419 1HG2 ILE 46 1HG2 ILE 46 -3.623 13.403 1.038 420 2HG2 ILE 46 2HG2 ILE 46 -4.132 14.027 2.623 421 3HG2 ILE 46 3HG2 ILE 46 -2.438 13.601 2.321 422 1HD1 ILE 46 1HD1 ILE 46 -3.218 9.571 3.521 423 2HD1 ILE 46 2HD1 ILE 46 -2.282 9.975 4.967 424 3HD1 ILE 46 3HD1 ILE 46 -4.057 9.991 5.031 425 H LEU 47 H LEU 47 -7.554 10.672 2.669 426 HA LEU 47 HA LEU 47 -9.463 11.366 3.696 427 1HB LEU 47 1HB LEU 47 -8.728 10.972 5.764 428 2HB LEU 47 2HB LEU 47 -7.417 12.112 5.744 429 HG LEU 47 HG LEU 47 -10.060 13.460 5.668 430 1HD1 LEU 47 1HD1 LEU 47 -10.753 11.577 7.018 431 2HD1 LEU 47 2HD1 LEU 47 -9.289 11.697 8.021 432 3HD1 LEU 47 3HD1 LEU 47 -10.511 12.984 8.067 433 1HD2 LEU 47 1HD2 LEU 47 -7.631 13.595 7.533 434 2HD2 LEU 47 2HD2 LEU 47 -7.850 14.602 6.097 435 3HD2 LEU 47 3HD2 LEU 47 -8.960 14.770 7.467 436 H GLY 48 H GLY 48 -9.832 12.391 1.726 437 1HA GLY 48 1HA GLY 48 -9.161 14.997 0.963 438 2HA GLY 48 2HA GLY 48 -10.658 14.151 0.529 439 1HN NH2 49 1HN NH2 49 -9.487 16.902 2.060 440 2HN NH2 49 2HN NH2 49 -10.883 17.252 3.114 441 1H ACE 0 H1 ACE 0 9.170 -8.461 -22.887 442 2H ACE 0 H2 ACE 0 7.669 -9.254 -22.350 443 3H ACE 0 H3 ACE 0 9.034 -9.071 -21.227 444 H ASP 1 H ASP 1 8.308 -6.460 -23.379 445 HA ASP 1 HA ASP 1 8.543 -4.454 -21.613 446 1HB ASP 1 1HB ASP 1 8.406 -4.093 -24.026 447 2HB ASP 1 2HB ASP 1 6.681 -4.503 -24.028 448 H TYR 2 H TYR 2 5.245 -5.504 -22.631 449 HA TYR 2 HA TYR 2 3.870 -3.930 -20.871 450 1HB TYR 2 1HB TYR 2 3.109 -6.694 -21.882 451 2HB TYR 2 2HB TYR 2 2.023 -5.453 -21.283 452 HD1 TYR 2 HD1 TYR 2 2.544 -2.983 -22.510 453 HD2 TYR 2 HD2 TYR 2 2.958 -6.937 -24.181 454 HE1 TYR 2 HE1 TYR 2 2.498 -2.029 -24.797 455 HE2 TYR 2 HE2 TYR 2 2.814 -5.985 -26.470 456 HH TYR 2 HH TYR 2 2.247 -4.074 -27.681 457 H LEU 3 H LEU 3 4.784 -7.379 -20.334 458 HA LEU 3 HA LEU 3 3.697 -7.416 -17.697 459 1HB LEU 3 1HB LEU 3 5.862 -9.105 -19.052 460 2HB LEU 3 2HB LEU 3 5.427 -9.305 -17.355 461 HG LEU 3 HG LEU 3 2.924 -9.348 -18.481 462 1HD1 LEU 3 1HD1 LEU 3 3.846 -9.335 -20.809 463 2HD1 LEU 3 2HD1 LEU 3 4.691 -10.858 -20.450 464 3HD1 LEU 3 3HD1 LEU 3 2.920 -10.795 -20.423 465 1HD2 LEU 3 1HD2 LEU 3 4.732 -11.769 -18.117 466 2HD2 LEU 3 2HD2 LEU 3 3.852 -10.933 -16.818 467 3HD2 LEU 3 3HD2 LEU 3 2.955 -11.750 -18.102 468 H ARG 4 H ARG 4 6.921 -6.433 -18.863 469 HA ARG 4 HA ARG 4 7.779 -5.887 -16.152 470 1HB ARG 4 1HB ARG 4 8.920 -5.208 -18.859 471 2HB ARG 4 2HB ARG 4 9.712 -4.783 -17.322 472 1HG ARG 4 1HG ARG 4 9.640 -7.185 -16.641 473 2HG ARG 4 2HG ARG 4 9.025 -7.625 -18.238 474 1HD ARG 4 1HD ARG 4 11.655 -6.097 -17.900 475 2HD ARG 4 2HD ARG 4 11.556 -7.843 -17.728 476 HE ARG 4 HE ARG 4 11.243 -8.171 -19.936 477 1HH1 ARG 4 1HH2 ARG 4 10.899 -4.715 -19.317 478 2HH1 ARG 4 2HH2 ARG 4 11.019 -4.247 -20.985 479 1HH2 ARG 4 1HH1 ARG 4 11.449 -7.603 -22.102 480 2HH2 ARG 4 2HH1 ARG 4 11.359 -5.937 -22.611 481 H GLU 5 H GLU 5 5.423 -4.331 -17.831 482 HA GLU 5 HA GLU 5 6.151 -1.635 -16.762 483 1HB GLU 5 1HB GLU 5 4.448 -2.520 -19.081 484 2HB GLU 5 2HB GLU 5 4.047 -1.034 -18.208 485 1HG GLU 5 1HG GLU 5 6.332 -0.180 -18.604 486 2HG GLU 5 2HG GLU 5 6.699 -1.628 -19.566 487 H LEU 6 H LEU 6 3.697 -4.228 -16.644 488 HA LEU 6 HA LEU 6 2.343 -2.663 -14.437 489 1HB LEU 6 1HB LEU 6 1.150 -4.905 -16.012 490 2HB LEU 6 2HB LEU 6 0.373 -3.797 -14.878 491 HG LEU 6 HG LEU 6 0.811 -1.944 -16.641 492 1HD1 LEU 6 1HD1 LEU 6 2.493 -2.930 -18.094 493 2HD1 LEU 6 2HD1 LEU 6 1.622 -4.504 -18.111 494 3HD1 LEU 6 3HD1 LEU 6 1.043 -3.132 -18.989 495 1HD2 LEU 6 1HD2 LEU 6 -0.791 -4.265 -17.753 496 2HD2 LEU 6 2HD2 LEU 6 -1.292 -3.453 -16.267 497 3HD2 LEU 6 3HD2 LEU 6 -1.189 -2.534 -17.764 498 H LEU 7 H LEU 7 4.763 -4.709 -14.557 499 HA LEU 7 HA LEU 7 3.843 -6.154 -12.216 500 1HB LEU 7 1HB LEU 7 3.985 -7.495 -14.458 501 2HB LEU 7 2HB LEU 7 5.731 -7.559 -14.110 502 HG LEU 7 HG LEU 7 3.499 -8.442 -12.251 503 1HD1 LEU 7 1HD1 LEU 7 3.759 -9.689 -14.486 504 2HD1 LEU 7 2HD1 LEU 7 5.337 -10.228 -13.896 505 3HD1 LEU 7 3HD1 LEU 7 3.842 -10.642 -13.020 506 1HD2 LEU 7 1HD2 LEU 7 6.171 -9.639 -11.840 507 2HD2 LEU 7 2HD2 LEU 7 6.193 -7.907 -11.581 508 3HD2 LEU 7 3HD2 LEU 7 5.056 -8.890 -10.677 509 H LYS 8 H LYS 8 6.861 -5.551 -14.137 510 HA LYS 8 HA LYS 8 8.488 -5.539 -11.908 511 1HB LYS 8 1HB LYS 8 9.064 -5.362 -14.509 512 2HB LYS 8 2HB LYS 8 9.067 -3.629 -14.179 513 1HG LYS 8 1HG LYS 8 11.264 -4.133 -13.900 514 2HG LYS 8 2HG LYS 8 10.688 -4.223 -12.238 515 1HD LYS 8 1HD LYS 8 10.349 -6.860 -13.457 516 2HD LYS 8 2HD LYS 8 11.917 -6.241 -13.965 517 1HE LYS 8 1HE LYS 8 11.988 -5.688 -11.240 518 2HE LYS 8 2HE LYS 8 10.965 -7.131 -11.281 519 1HZ LYS 8 1HZ LYS 8 12.729 -8.214 -12.521 520 2HZ LYS 8 2HZ LYS 8 13.643 -6.843 -12.455 521 3HZ LYS 8 3HZ LYS 8 13.276 -7.652 -11.070 522 H LEU 9 H LEU 9 6.874 -2.802 -13.477 523 HA LEU 9 HA LEU 9 7.744 -0.818 -11.551 524 1HB LEU 9 1HB LEU 9 5.587 -0.807 -13.665 525 2HB LEU 9 2HB LEU 9 6.017 0.604 -12.722 526 HG LEU 9 HG LEU 9 8.040 -0.830 -14.454 527 1HD1 LEU 9 1HD1 LEU 9 5.912 0.272 -15.661 528 2HD1 LEU 9 2HD1 LEU 9 6.777 1.763 -15.357 529 3HD1 LEU 9 3HD1 LEU 9 7.550 0.478 -16.299 530 1HD2 LEU 9 1HD2 LEU 9 7.988 2.079 -13.506 531 2HD2 LEU 9 2HD2 LEU 9 8.792 0.806 -12.586 532 3HD2 LEU 9 3HD2 LEU 9 9.347 1.189 -14.220 533 H GLU 10 H GLU 10 5.384 -3.302 -11.370 534 HA GLU 10 HA GLU 10 3.735 -1.799 -9.425 535 1HB GLU 10 1HB GLU 10 3.577 -4.607 -10.583 536 2HB GLU 10 2HB GLU 10 2.704 -4.007 -9.194 537 1HG GLU 10 1HG GLU 10 2.460 -2.801 -11.970 538 2HG GLU 10 2HG GLU 10 1.316 -3.941 -11.255 539 H LEU 11 H LEU 11 6.213 -4.385 -9.656 540 HA LEU 11 HA LEU 11 6.036 -5.141 -6.888 541 1HB LEU 11 1HB LEU 11 7.706 -5.853 -9.161 542 2HB LEU 11 2HB LEU 11 8.767 -5.373 -7.841 543 HG LEU 11 HG LEU 11 7.385 -6.947 -6.330 544 1HD1 LEU 11 1HD1 LEU 11 5.467 -7.215 -7.950 545 2HD1 LEU 11 2HD1 LEU 11 6.576 -8.052 -9.056 546 3HD1 LEU 11 3HD1 LEU 11 6.193 -8.762 -7.477 547 1HD2 LEU 11 1HD2 LEU 11 9.092 -8.028 -8.611 548 2HD2 LEU 11 2HD2 LEU 11 9.650 -7.492 -7.009 549 3HD2 LEU 11 3HD2 LEU 11 8.646 -8.946 -7.156 550 H GLN 12 H GLN 12 7.928 -2.680 -8.615 551 HA GLN 12 HA GLN 12 9.509 -1.766 -6.516 552 1HB GLN 12 1HB GLN 12 9.924 0.139 -7.752 553 2HB GLN 12 2HB GLN 12 9.374 -0.975 -9.015 554 1HG GLN 12 1HG GLN 12 7.055 0.033 -8.638 555 2HG GLN 12 2HG GLN 12 7.807 1.275 -7.653 556 1HE2 GLN 12 2HE2 GLN 12 6.332 1.704 -10.074 557 2HE2 GLN 12 1HE2 GLN 12 7.437 2.532 -11.166 558 H LEU 13 H LEU 13 6.018 -1.370 -6.888 559 HA LEU 13 HA LEU 13 5.771 0.928 -5.147 560 1HB LEU 13 1HB LEU 13 3.619 -1.085 -5.904 561 2HB LEU 13 2HB LEU 13 3.386 0.559 -5.322 562 HG LEU 13 HG LEU 13 4.666 -0.169 -7.967 563 1HD1 LEU 13 1HD1 LEU 13 2.268 -0.931 -7.608 564 2HD1 LEU 13 2HD1 LEU 13 1.811 0.761 -7.482 565 3HD1 LEU 13 3HD1 LEU 13 2.521 0.124 -8.973 566 1HD2 LEU 13 1HD2 LEU 13 3.456 2.515 -7.586 567 2HD2 LEU 13 2HD2 LEU 13 4.891 2.238 -6.611 568 3HD2 LEU 13 3HD2 LEU 13 4.982 2.057 -8.345 569 H ILE 14 H ILE 14 5.023 -2.588 -4.946 570 HA ILE 14 HA ILE 14 4.307 -2.512 -2.160 571 HB ILE 14 HB ILE 14 5.142 -4.673 -4.123 572 1HG1 ILE 14 2HG1 ILE 14 2.841 -5.460 -3.604 573 2HG1 ILE 14 3HG1 ILE 14 2.623 -4.140 -2.460 574 1HG2 ILE 14 1HG2 ILE 14 6.117 -5.463 -2.024 575 2HG2 ILE 14 2HG2 ILE 14 4.618 -5.079 -1.145 576 3HG2 ILE 14 3HG2 ILE 14 4.642 -6.365 -2.366 577 1HD1 ILE 14 1HD1 ILE 14 2.589 -2.512 -4.229 578 2HD1 ILE 14 2HD1 ILE 14 3.186 -3.714 -5.408 579 3HD1 ILE 14 3HD1 ILE 14 1.565 -3.856 -4.707 580 H LYS 15 H LYS 15 7.439 -2.673 -3.769 581 HA LYS 15 HA LYS 15 8.962 -3.126 -1.369 582 1HB LYS 15 1HB LYS 15 9.439 -2.912 -4.190 583 2HB LYS 15 2HB LYS 15 10.277 -1.573 -3.480 584 1HG LYS 15 1HG LYS 15 11.855 -3.247 -3.522 585 2HG LYS 15 2HG LYS 15 11.323 -3.338 -1.842 586 1HD LYS 15 1HD LYS 15 10.204 -5.396 -2.189 587 2HD LYS 15 2HD LYS 15 9.893 -5.061 -3.898 588 1HE LYS 15 1HE LYS 15 12.363 -5.305 -4.366 589 2HE LYS 15 2HE LYS 15 12.584 -5.839 -2.688 590 1HZ LYS 15 1HZ LYS 15 11.027 -7.634 -3.201 591 2HZ LYS 15 2HZ LYS 15 10.936 -7.116 -4.764 592 3HZ LYS 15 3HZ LYS 15 12.365 -7.670 -4.165 593 H GLN 16 H GLN 16 8.088 -0.190 -3.270 594 HA GLN 16 HA GLN 16 9.489 1.643 -1.523 595 1HB GLN 16 1HB GLN 16 7.531 1.879 -3.804 596 2HB GLN 16 2HB GLN 16 7.716 3.269 -2.750 597 1HG GLN 16 1HG GLN 16 9.832 3.751 -3.352 598 2HG GLN 16 2HG GLN 16 10.297 2.059 -3.583 599 1HE2 GLN 16 2HE2 GLN 16 11.452 3.078 -5.445 600 2HE2 GLN 16 1HE2 GLN 16 10.558 3.157 -6.955 601 H TYR 17 H TYR 17 6.331 0.208 -1.501 602 HA TYR 17 HA TYR 17 5.102 2.010 0.280 603 1HB TYR 17 1HB TYR 17 4.587 -0.831 -0.698 604 2HB TYR 17 2HB TYR 17 3.695 -0.282 0.679 605 HD1 TYR 17 HD1 TYR 17 2.884 -0.884 -2.534 606 HD2 TYR 17 HD2 TYR 17 2.968 2.371 0.249 607 HE1 TYR 17 HE1 TYR 17 1.192 0.295 -3.867 608 HE2 TYR 17 HE2 TYR 17 1.104 3.455 -0.960 609 HH TYR 17 HH TYR 17 0.164 2.392 -4.197 610 H ARG 18 H ARG 18 7.293 -0.652 0.674 611 HA ARG 18 HA ARG 18 6.891 -0.894 3.573 612 1HB ARG 18 1HB ARG 18 8.923 -2.131 1.689 613 2HB ARG 18 2HB ARG 18 8.885 -2.393 3.437 614 1HG ARG 18 1HG ARG 18 6.616 -3.284 3.322 615 2HG ARG 18 2HG ARG 18 6.510 -2.938 1.604 616 1HD ARG 18 1HD ARG 18 7.397 -4.887 1.070 617 2HD ARG 18 2HD ARG 18 8.876 -4.539 1.990 618 HE ARG 18 HE ARG 18 6.938 -5.277 3.874 619 1HH1 ARG 18 1HH2 ARG 18 8.542 -6.753 1.112 620 2HH1 ARG 18 2HH2 ARG 18 8.410 -8.387 1.706 621 1HH2 ARG 18 1HH1 ARG 18 6.733 -7.383 4.682 622 2HH2 ARG 18 2HH1 ARG 18 7.352 -8.753 3.802 623 H GLU 19 H GLU 19 9.074 0.556 1.256 624 HA GLU 19 HA GLU 19 10.917 1.559 3.211 625 1HB GLU 19 1HB GLU 19 11.340 1.189 0.716 626 2HB GLU 19 2HB GLU 19 10.553 2.765 0.465 627 1HG GLU 19 1HG GLU 19 12.219 3.869 1.849 628 2HG GLU 19 2HG GLU 19 12.884 2.315 2.381 629 H ALA 20 H ALA 20 7.913 2.943 1.795 630 HA ALA 20 HA ALA 20 8.413 5.491 3.278 631 1HB ALA 20 1HB ALA 20 7.152 5.292 1.023 632 2HB ALA 20 2HB ALA 20 5.783 4.811 2.090 633 3HB ALA 20 3HB ALA 20 6.574 6.374 2.287 634 H LEU 21 H LEU 21 6.692 2.395 3.789 635 HA LEU 21 HA LEU 21 4.938 3.104 5.728 636 1HB LEU 21 1HB LEU 21 6.146 0.682 4.887 637 2HB LEU 21 2HB LEU 21 6.330 0.666 6.617 638 HG LEU 21 HG LEU 21 3.653 1.435 5.507 639 1HD1 LEU 21 1HD1 LEU 21 4.084 -0.393 4.038 640 2HD1 LEU 21 2HD1 LEU 21 4.659 -1.422 5.374 641 3HD1 LEU 21 3HD1 LEU 21 2.961 -0.934 5.274 642 1HD2 LEU 21 1HD2 LEU 21 4.416 -0.365 7.831 643 2HD2 LEU 21 2HD2 LEU 21 3.935 1.348 7.945 644 3HD2 LEU 21 3HD2 LEU 21 2.776 0.134 7.389 645 H GLU 22 H GLU 22 8.404 2.862 6.210 646 HA GLU 22 HA GLU 22 8.382 3.008 9.067 647 1HB GLU 22 1HB GLU 22 10.766 3.873 8.754 648 2HB GLU 22 2HB GLU 22 10.396 2.230 8.215 649 1HG GLU 22 1HG GLU 22 10.413 2.793 5.957 650 2HG GLU 22 2HG GLU 22 10.266 4.540 6.266 651 H TYR 23 H TYR 23 8.165 5.394 6.527 652 HA TYR 23 HA TYR 23 8.480 7.746 8.272 653 1HB TYR 23 1HB TYR 23 8.534 7.142 5.356 654 2HB TYR 23 2HB TYR 23 7.706 8.608 5.793 655 HD1 TYR 23 HD1 TYR 23 10.839 6.799 6.848 656 HD2 TYR 23 HD2 TYR 23 9.033 10.560 5.753 657 HE1 TYR 23 HE1 TYR 23 12.986 7.940 7.244 658 HE2 TYR 23 HE2 TYR 23 11.196 11.704 6.150 659 HH TYR 23 HH TYR 23 14.074 9.958 7.333 660 H VAL 24 H VAL 24 5.995 5.857 6.625 661 HA VAL 24 HA VAL 24 3.910 7.870 6.908 662 HB VAL 24 HB VAL 24 3.779 4.916 6.318 663 1HG1 VAL 24 1HG1 VAL 24 1.602 5.303 6.753 664 2HG1 VAL 24 2HG1 VAL 24 1.666 7.044 6.395 665 3HG1 VAL 24 3HG1 VAL 24 1.544 5.858 5.091 666 1HG2 VAL 24 1HG2 VAL 24 3.290 6.557 3.995 667 2HG2 VAL 24 2HG2 VAL 24 4.873 6.961 4.695 668 3HG2 VAL 24 3HG2 VAL 24 4.486 5.301 4.241 669 H LYS 25 H LYS 25 4.809 4.882 8.605 670 HA LYS 25 HA LYS 25 4.272 3.989 10.602 671 1HB LYS 25 1HB LYS 25 3.554 6.836 11.367 672 2HB LYS 25 2HB LYS 25 3.967 5.544 12.480 673 1HG LYS 25 1HG LYS 25 6.245 5.700 12.072 674 2HG LYS 25 2HG LYS 25 6.025 6.106 10.380 675 1HD LYS 25 1HD LYS 25 5.132 8.376 11.112 676 2HD LYS 25 2HD LYS 25 5.761 8.027 12.733 677 1HE LYS 25 1HE LYS 25 7.484 7.774 10.236 678 2HE LYS 25 2HE LYS 25 7.201 9.360 10.935 679 1HZ LYS 25 1HZ LYS 25 8.288 8.695 12.872 680 2HZ LYS 25 2HZ LYS 25 8.302 7.096 12.443 681 3HZ LYS 25 3HZ LYS 25 9.225 8.181 11.619 682 H LEU 26 H LEU 26 2.309 3.449 8.815 683 HA LEU 26 HA LEU 26 -0.138 3.618 10.458 684 1HB LEU 26 1HB LEU 26 0.292 5.376 8.433 685 2HB LEU 26 2HB LEU 26 -0.514 4.111 7.521 686 HG LEU 26 HG LEU 26 -1.857 4.886 10.094 687 1HD1 LEU 26 1HD1 LEU 26 -0.841 7.043 9.490 688 2HD1 LEU 26 2HD1 LEU 26 -1.578 6.943 7.874 689 3HD1 LEU 26 3HD1 LEU 26 -2.602 7.070 9.323 690 1HD2 LEU 26 1HD2 LEU 26 -2.769 4.750 7.185 691 2HD2 LEU 26 2HD2 LEU 26 -2.994 3.503 8.442 692 3HD2 LEU 26 3HD2 LEU 26 -3.824 5.065 8.576 693 HA PRO 27 HA PRO 27 0.057 -0.643 9.215 694 1HB PRO 27 1HB PRO 27 -2.264 -1.631 10.265 695 2HB PRO 27 2HB PRO 27 -0.872 -1.132 11.265 696 1HG PRO 27 1HG PRO 27 -3.380 0.449 10.650 697 2HG PRO 27 2HG PRO 27 -2.565 0.242 12.225 698 1HD PRO 27 1HD PRO 27 -2.198 2.456 10.636 699 2HD PRO 27 2HD PRO 27 -0.896 1.809 11.679 700 H VAL 28 H VAL 28 -2.922 1.223 8.523 701 HA VAL 28 HA VAL 28 -4.150 -0.322 6.572 702 HB VAL 28 HB VAL 28 -3.719 2.641 6.512 703 1HG1 VAL 28 1HG1 VAL 28 -4.385 1.941 4.314 704 2HG1 VAL 28 2HG1 VAL 28 -5.717 0.959 4.969 705 3HG1 VAL 28 3HG1 VAL 28 -5.750 2.733 5.083 706 1HG2 VAL 28 1HG2 VAL 28 -6.087 1.006 7.524 707 2HG2 VAL 28 2HG2 VAL 28 -4.984 1.971 8.540 708 3HG2 VAL 28 3HG2 VAL 28 -6.059 2.772 7.384 709 H LEU 29 H LEU 29 -1.046 1.416 6.360 710 HA LEU 29 HA LEU 29 -0.935 1.468 3.544 711 1HB LEU 29 1HB LEU 29 0.667 2.401 5.634 712 2HB LEU 29 2HB LEU 29 1.663 1.141 4.893 713 HG LEU 29 HG LEU 29 0.380 3.556 3.574 714 1HD1 LEU 29 1HD1 LEU 29 2.497 3.723 5.021 715 2HD1 LEU 29 2HD1 LEU 29 3.347 2.867 3.731 716 3HD1 LEU 29 3HD1 LEU 29 2.558 4.414 3.373 717 1HD2 LEU 29 1HD2 LEU 29 2.229 1.531 2.241 718 2HD2 LEU 29 2HD2 LEU 29 0.487 1.607 1.917 719 3HD2 LEU 29 3HD2 LEU 29 1.474 3.015 1.565 720 H ALA 30 H ALA 30 0.218 -0.961 5.954 721 HA ALA 30 HA ALA 30 1.479 -2.665 3.899 722 1HB ALA 30 1HB ALA 30 2.033 -2.706 6.417 723 2HB ALA 30 2HB ALA 30 0.458 -3.491 6.659 724 3HB ALA 30 3HB ALA 30 1.702 -4.278 5.664 725 H LYS 31 H LYS 31 -1.784 -2.159 5.147 726 HA LYS 31 HA LYS 31 -2.713 -4.702 4.042 727 1HB LYS 31 1HB LYS 31 -3.641 -2.994 5.974 728 2HB LYS 31 2HB LYS 31 -4.669 -2.499 4.620 729 1HG LYS 31 1HG LYS 31 -5.425 -4.823 4.340 730 2HG LYS 31 2HG LYS 31 -4.248 -5.390 5.549 731 1HD LYS 31 1HD LYS 31 -5.337 -3.988 7.287 732 2HD LYS 31 2HD LYS 31 -6.539 -3.461 6.101 733 1HE LYS 31 1HE LYS 31 -7.801 -5.253 6.609 734 2HE LYS 31 2HE LYS 31 -6.559 -6.310 5.934 735 1HZ LYS 31 1HZ LYS 31 -5.999 -6.966 7.936 736 2HZ LYS 31 2HZ LYS 31 -5.951 -5.448 8.574 737 3HZ LYS 31 3HZ LYS 31 -7.380 -6.257 8.481 738 H ILE 32 H ILE 32 -2.850 -1.341 3.085 739 HA ILE 32 HA ILE 32 -4.204 -1.572 0.588 740 HB ILE 32 HB ILE 32 -2.146 0.389 1.709 741 1HG1 ILE 32 2HG1 ILE 32 -5.093 0.601 0.933 742 2HG1 ILE 32 3HG1 ILE 32 -4.466 0.439 2.558 743 1HG2 ILE 32 1HG2 ILE 32 -1.585 0.376 -0.613 744 2HG2 ILE 32 2HG2 ILE 32 -3.287 0.254 -1.073 745 3HG2 ILE 32 3HG2 ILE 32 -2.630 1.766 -0.407 746 1HD1 ILE 32 1HD1 ILE 32 -3.241 2.649 2.224 747 2HD1 ILE 32 2HD1 ILE 32 -4.141 2.837 0.698 748 3HD1 ILE 32 3HD1 ILE 32 -5.015 2.749 2.219 749 H LEU 33 H LEU 33 -0.698 -1.722 1.455 750 HA LEU 33 HA LEU 33 -0.037 -1.949 -1.157 751 1HB LEU 33 1HB LEU 33 2.223 -2.303 -0.546 752 2HB LEU 33 2HB LEU 33 1.451 -1.308 0.701 753 HG LEU 33 HG LEU 33 1.173 -3.388 1.999 754 1HD1 LEU 33 1HD1 LEU 33 1.610 -5.375 1.145 755 2HD1 LEU 33 2HD1 LEU 33 2.337 -4.663 -0.308 756 3HD1 LEU 33 3HD1 LEU 33 3.320 -4.956 1.140 757 1HD2 LEU 33 1HD2 LEU 33 3.970 -2.472 1.303 758 2HD2 LEU 33 2HD2 LEU 33 2.841 -1.628 2.390 759 3HD2 LEU 33 3HD2 LEU 33 3.474 -3.220 2.852 760 H GLU 34 H GLU 34 -0.827 -4.398 1.260 761 HA GLU 34 HA GLU 34 -0.044 -6.755 -0.075 762 1HB GLU 34 1HB GLU 34 -0.784 -6.369 2.360 763 2HB GLU 34 2HB GLU 34 -2.436 -6.520 1.802 764 1HG GLU 34 1HG GLU 34 -1.994 -8.812 1.054 765 2HG GLU 34 2HG GLU 34 -0.251 -8.600 1.291 766 H ASP 35 H ASP 35 -3.087 -5.003 0.046 767 HA ASP 35 HA ASP 35 -4.690 -6.575 -1.646 768 1HB ASP 35 1HB ASP 35 -5.154 -4.323 -0.303 769 2HB ASP 35 2HB ASP 35 -4.774 -3.558 -1.846 770 H GLU 36 H GLU 36 -2.484 -3.867 -2.500 771 HA GLU 36 HA GLU 36 -2.744 -4.134 -5.295 772 1HB GLU 36 1HB GLU 36 -0.307 -3.142 -3.771 773 2HB GLU 36 2HB GLU 36 -0.656 -2.913 -5.485 774 1HG GLU 36 1HG GLU 36 -2.980 -1.959 -4.177 775 2HG GLU 36 2HG GLU 36 -1.677 -1.470 -3.097 776 H GLU 37 H GLU 37 -0.256 -5.643 -3.172 777 HA GLU 37 HA GLU 37 1.194 -7.087 -4.948 778 1HB GLU 37 1HB GLU 37 0.866 -7.002 -2.220 779 2HB GLU 37 2HB GLU 37 0.293 -8.634 -2.547 780 1HG GLU 37 1HG GLU 37 2.922 -7.642 -3.714 781 2HG GLU 37 2HG GLU 37 2.787 -8.028 -2.002 782 H LYS 38 H LYS 38 -2.105 -7.933 -3.882 783 HA LYS 38 HA LYS 38 -2.091 -10.432 -5.361 784 1HB LYS 38 1HB LYS 38 -3.418 -9.915 -3.331 785 2HB LYS 38 2HB LYS 38 -4.408 -8.791 -4.267 786 1HG LYS 38 1HG LYS 38 -5.451 -10.513 -5.528 787 2HG LYS 38 2HG LYS 38 -4.018 -11.525 -5.484 788 1HD LYS 38 1HD LYS 38 -5.209 -12.838 -4.170 789 2HD LYS 38 2HD LYS 38 -4.618 -11.775 -2.891 790 1HE LYS 38 1HE LYS 38 -6.735 -10.476 -2.999 791 2HE LYS 38 2HE LYS 38 -7.298 -11.478 -4.351 792 1HZ LYS 38 1HZ LYS 38 -7.321 -13.358 -2.968 793 2HZ LYS 38 2HZ LYS 38 -6.641 -12.548 -1.706 794 3HZ LYS 38 3HZ LYS 38 -8.167 -12.169 -2.203 795 H HIS 39 H HIS 39 -3.469 -7.193 -6.012 796 HA HIS 39 HA HIS 39 -4.639 -7.820 -8.545 797 1HB HIS 39 1HB HIS 39 -3.590 -5.351 -7.188 798 2HB HIS 39 2HB HIS 39 -3.917 -5.273 -8.912 799 HD1 HIS 39 HD1 HIS 39 -6.529 -6.156 -9.565 800 HD2 HIS 39 HD2 HIS 39 -5.693 -4.977 -5.614 801 HE1 HIS 39 HE1 HIS 39 -8.800 -5.746 -8.443 802 HE2 HIS 39 HE2 HIS 39 -8.277 -5.036 -6.026 803 H ILE 40 H ILE 40 -1.312 -7.156 -7.602 804 HA ILE 40 HA ILE 40 -0.257 -7.109 -10.315 805 HB ILE 40 HB ILE 40 1.123 -7.439 -7.624 806 1HG1 ILE 40 2HG1 ILE 40 0.871 -4.945 -9.318 807 2HG1 ILE 40 3HG1 ILE 40 -0.315 -5.258 -8.113 808 1HG2 ILE 40 1HG2 ILE 40 2.588 -8.178 -9.451 809 2HG2 ILE 40 2HG2 ILE 40 2.179 -6.742 -10.407 810 3HG2 ILE 40 3HG2 ILE 40 3.136 -6.592 -8.926 811 1HD1 ILE 40 1HD1 ILE 40 1.228 -5.369 -6.309 812 2HD1 ILE 40 2HD1 ILE 40 2.624 -5.142 -7.346 813 3HD1 ILE 40 3HD1 ILE 40 1.429 -3.833 -7.162 814 H GLU 41 H GLU 41 -0.529 -9.490 -7.646 815 HA GLU 41 HA GLU 41 0.953 -11.551 -8.733 816 1HB GLU 41 1HB GLU 41 -0.162 -11.518 -6.476 817 2HB GLU 41 2HB GLU 41 -1.683 -11.947 -7.286 818 1HG GLU 41 1HG GLU 41 0.358 -13.759 -8.216 819 2HG GLU 41 2HG GLU 41 0.518 -13.625 -6.465 820 H TRP 42 H TRP 42 -2.399 -10.522 -9.616 821 HA TRP 42 HA TRP 42 -3.088 -12.619 -11.246 822 1HB TRP 42 1HB TRP 42 -4.323 -10.447 -10.611 823 2HB TRP 42 2HB TRP 42 -3.601 -9.766 -12.051 824 HD1 TRP 42 HD1 TRP 42 -5.920 -12.623 -11.036 825 HE1 TRP 42 HE1 TRP 42 -6.768 -13.826 -13.435 826 HE3 TRP 42 HE3 TRP 42 -3.491 -10.028 -14.566 827 HZ2 TRP 42 HZ2 TRP 42 -7.135 -13.147 -15.924 828 HZ3 TRP 42 HZ3 TRP 42 -4.008 -10.390 -17.017 829 HH2 TRP 42 HH2 TRP 42 -5.820 -11.976 -17.684 830 H LEU 43 H LEU 43 -0.855 -9.987 -11.928 831 HA LEU 43 HA LEU 43 -0.408 -10.719 -14.736 832 1HB LEU 43 1HB LEU 43 1.139 -8.820 -12.929 833 2HB LEU 43 2HB LEU 43 1.461 -9.148 -14.625 834 HG LEU 43 HG LEU 43 -1.275 -8.551 -14.666 835 1HD1 LEU 43 1HD1 LEU 43 -1.290 -7.696 -12.383 836 2HD1 LEU 43 2HD1 LEU 43 0.132 -6.690 -12.696 837 3HD1 LEU 43 3HD1 LEU 43 -1.395 -6.331 -13.508 838 1HD2 LEU 43 1HD2 LEU 43 1.173 -6.844 -15.150 839 2HD2 LEU 43 2HD2 LEU 43 0.318 -7.834 -16.345 840 3HD2 LEU 43 3HD2 LEU 43 -0.478 -6.398 -15.676 841 H GLU 44 H GLU 44 1.200 -11.342 -11.590 842 HA GLU 44 HA GLU 44 3.255 -13.038 -12.875 843 1HB GLU 44 1HB GLU 44 2.640 -12.184 -10.048 844 2HB GLU 44 2HB GLU 44 3.483 -13.694 -10.256 845 1HG GLU 44 1HG GLU 44 4.982 -12.090 -11.914 846 2HG GLU 44 2HG GLU 44 4.479 -10.986 -10.615 847 H THR 45 H THR 45 0.351 -13.730 -13.347 848 HA THR 45 HA THR 45 0.803 -16.597 -12.798 849 HB THR 45 HB THR 45 -0.440 -15.313 -10.862 850 HG1 THR 45 HG1 THR 45 -0.080 -17.495 -10.839 851 1HG2 THR 45 1HG2 THR 45 -2.214 -14.363 -12.172 852 2HG2 THR 45 2HG2 THR 45 -2.851 -15.984 -12.521 853 3HG2 THR 45 3HG2 THR 45 -2.785 -15.370 -10.849 854 H ILE 46 H ILE 46 -1.329 -14.158 -14.068 855 HA ILE 46 HA ILE 46 -2.815 -14.135 -15.761 856 HB ILE 46 HB ILE 46 -0.773 -13.289 -16.636 857 1HG1 ILE 46 2HG1 ILE 46 -1.022 -13.509 -19.023 858 2HG1 ILE 46 3HG1 ILE 46 -2.067 -14.916 -18.861 859 1HG2 ILE 46 1HG2 ILE 46 0.818 -15.026 -16.315 860 2HG2 ILE 46 2HG2 ILE 46 -0.020 -16.105 -17.456 861 3HG2 ILE 46 3HG2 ILE 46 0.787 -14.630 -18.028 862 1HD1 ILE 46 1HD1 ILE 46 -3.751 -13.551 -17.698 863 2HD1 ILE 46 2HD1 ILE 46 -2.624 -12.166 -17.694 864 3HD1 ILE 46 3HD1 ILE 46 -3.300 -12.768 -19.223 865 H LEU 47 H LEU 47 -3.560 -16.196 -14.450 866 HA LEU 47 HA LEU 47 -3.677 -18.569 -16.225 867 1HB LEU 47 1HB LEU 47 -3.003 -18.236 -13.545 868 2HB LEU 47 2HB LEU 47 -4.632 -18.865 -13.419 869 HG LEU 47 HG LEU 47 -2.702 -20.212 -15.336 870 1HD1 LEU 47 1HD1 LEU 47 -1.297 -19.802 -13.408 871 2HD1 LEU 47 2HD1 LEU 47 -2.508 -20.522 -12.328 872 3HD1 LEU 47 3HD1 LEU 47 -1.690 -21.523 -13.554 873 1HD2 LEU 47 1HD2 LEU 47 -4.374 -21.712 -13.358 874 2HD2 LEU 47 2HD2 LEU 47 -5.252 -20.840 -14.630 875 3HD2 LEU 47 3HD2 LEU 47 -4.037 -22.055 -15.065 876 H GLY 48 H GLY 48 -5.171 -17.726 -17.653 877 1HA GLY 48 1HA GLY 48 -7.997 -17.727 -16.701 878 2HA GLY 48 2HA GLY 48 -7.390 -16.405 -17.723 879 1HN NH2 49 1HN NH2 49 -9.462 -17.842 -18.743 880 2HN NH2 49 2HN NH2 49 -8.895 -18.940 -20.029 Start of MODEL 6 1 1H ACE 0 H1 ACE 0 2.350 -16.481 2.205 2 2H ACE 0 H2 ACE 0 3.834 -17.310 1.681 3 3H ACE 0 H3 ACE 0 2.534 -16.985 0.513 4 H ASP 1 H ASP 1 5.054 -15.548 2.477 5 HA ASP 1 HA ASP 1 4.848 -12.964 2.657 6 1HB ASP 1 1HB ASP 1 6.832 -14.290 3.273 7 2HB ASP 1 2HB ASP 1 7.324 -14.399 1.579 8 H TYR 2 H TYR 2 6.319 -14.238 -0.334 9 HA TYR 2 HA TYR 2 6.669 -11.798 -1.639 10 1HB TYR 2 1HB TYR 2 6.323 -14.660 -2.602 11 2HB TYR 2 2HB TYR 2 6.686 -13.320 -3.660 12 HD1 TYR 2 HD1 TYR 2 8.515 -12.721 -0.628 13 HD2 TYR 2 HD2 TYR 2 8.499 -14.836 -4.356 14 HE1 TYR 2 HE1 TYR 2 10.839 -13.482 -0.195 15 HE2 TYR 2 HE2 TYR 2 10.896 -15.453 -4.019 16 HH TYR 2 HH TYR 2 12.760 -14.981 -2.732 17 H LEU 3 H LEU 3 3.668 -13.580 -1.351 18 HA LEU 3 HA LEU 3 2.486 -11.743 -3.321 19 1HB LEU 3 1HB LEU 3 1.552 -14.564 -2.626 20 2HB LEU 3 2HB LEU 3 0.816 -13.525 -3.850 21 HG LEU 3 HG LEU 3 3.685 -14.563 -4.036 22 1HD1 LEU 3 1HD1 LEU 3 2.121 -16.454 -4.014 23 2HD1 LEU 3 2HD1 LEU 3 1.152 -15.687 -5.293 24 3HD1 LEU 3 3HD1 LEU 3 2.813 -16.220 -5.629 25 1HD2 LEU 3 1HD2 LEU 3 1.849 -13.482 -6.219 26 2HD2 LEU 3 2HD2 LEU 3 3.092 -12.509 -5.407 27 3HD2 LEU 3 3HD2 LEU 3 3.560 -13.922 -6.362 28 H ARG 4 H ARG 4 2.216 -13.080 -0.111 29 HA ARG 4 HA ARG 4 -0.259 -11.776 0.511 30 1HB ARG 4 1HB ARG 4 2.241 -12.217 2.175 31 2HB ARG 4 2HB ARG 4 0.711 -11.623 2.826 32 1HG ARG 4 1HG ARG 4 1.037 -14.326 1.423 33 2HG ARG 4 2HG ARG 4 1.131 -14.070 3.165 34 1HD ARG 4 1HD ARG 4 -1.073 -14.794 2.882 35 2HD ARG 4 2HD ARG 4 -1.233 -13.047 2.988 36 HE ARG 4 HE ARG 4 -1.997 -12.979 0.824 37 1HH1 ARG 4 1HH2 ARG 4 -0.427 -16.095 1.320 38 2HH1 ARG 4 2HH2 ARG 4 -1.025 -16.800 -0.157 39 1HH2 ARG 4 1HH1 ARG 4 -2.750 -13.853 -1.139 40 2HH2 ARG 4 2HH1 ARG 4 -2.365 -15.487 -1.589 41 H GLU 5 H GLU 5 3.062 -10.556 0.036 42 HA GLU 5 HA GLU 5 2.117 -7.877 0.938 43 1HB GLU 5 1HB GLU 5 4.955 -8.755 0.314 44 2HB GLU 5 2HB GLU 5 4.402 -7.180 0.892 45 1HG GLU 5 1HG GLU 5 3.255 -8.535 2.829 46 2HG GLU 5 2HG GLU 5 4.355 -9.840 2.353 47 H LEU 6 H LEU 6 2.981 -9.586 -2.022 48 HA LEU 6 HA LEU 6 2.588 -7.025 -3.537 49 1HB LEU 6 1HB LEU 6 4.161 -9.443 -4.431 50 2HB LEU 6 2HB LEU 6 3.967 -7.889 -5.214 51 HG LEU 6 HG LEU 6 5.104 -6.923 -2.951 52 1HD1 LEU 6 1HD1 LEU 6 5.135 -9.362 -1.942 53 2HD1 LEU 6 2HD1 LEU 6 6.451 -9.620 -3.087 54 3HD1 LEU 6 3HD1 LEU 6 6.565 -8.353 -1.840 55 1HD2 LEU 6 1HD2 LEU 6 6.605 -8.349 -5.142 56 2HD2 LEU 6 2HD2 LEU 6 5.864 -6.741 -5.250 57 3HD2 LEU 6 3HD2 LEU 6 7.149 -7.004 -4.079 58 H LEU 7 H LEU 7 0.412 -8.820 -2.585 59 HA LEU 7 HA LEU 7 -0.907 -8.784 -5.088 60 1HB LEU 7 1HB LEU 7 0.241 -11.077 -5.147 61 2HB LEU 7 2HB LEU 7 -0.748 -11.538 -3.761 62 HG LEU 7 HG LEU 7 -2.806 -11.234 -5.007 63 1HD1 LEU 7 1HD1 LEU 7 -2.680 -9.751 -6.731 64 2HD1 LEU 7 2HD1 LEU 7 -0.940 -9.976 -6.941 65 3HD1 LEU 7 3HD1 LEU 7 -2.051 -11.109 -7.671 66 1HD2 LEU 7 1HD2 LEU 7 -0.632 -12.993 -6.192 67 2HD2 LEU 7 2HD2 LEU 7 -1.691 -13.388 -4.842 68 3HD2 LEU 7 3HD2 LEU 7 -2.373 -13.238 -6.457 69 H LYS 8 H LYS 8 -1.165 -10.321 -1.851 70 HA LYS 8 HA LYS 8 -3.920 -9.848 -1.729 71 1HB LYS 8 1HB LYS 8 -2.657 -11.520 -0.364 72 2HB LYS 8 2HB LYS 8 -2.095 -10.181 0.665 73 1HG LYS 8 1HG LYS 8 -4.512 -9.568 1.051 74 2HG LYS 8 2HG LYS 8 -4.980 -11.045 0.187 75 1HD LYS 8 1HD LYS 8 -3.878 -12.436 1.856 76 2HD LYS 8 2HD LYS 8 -3.136 -11.020 2.624 77 1HE LYS 8 1HE LYS 8 -4.960 -10.585 3.872 78 2HE LYS 8 2HE LYS 8 -6.039 -10.650 2.475 79 1HZ LYS 8 1HZ LYS 8 -6.109 -13.007 2.671 80 2HZ LYS 8 2HZ LYS 8 -5.095 -12.983 3.972 81 3HZ LYS 8 3HZ LYS 8 -6.589 -12.293 4.076 82 H LEU 9 H LEU 9 -1.138 -8.005 -0.482 83 HA LEU 9 HA LEU 9 -2.689 -5.786 0.553 84 1HB LEU 9 1HB LEU 9 0.160 -5.918 -0.488 85 2HB LEU 9 2HB LEU 9 -0.567 -4.462 0.181 86 HG LEU 9 HG LEU 9 -0.112 -7.054 1.710 87 1HD1 LEU 9 1HD1 LEU 9 1.932 -5.621 1.161 88 2HD1 LEU 9 2HD1 LEU 9 1.175 -4.314 2.076 89 3HD1 LEU 9 3HD1 LEU 9 1.610 -5.833 2.889 90 1HD2 LEU 9 1HD2 LEU 9 -1.293 -4.383 2.594 91 2HD2 LEU 9 2HD2 LEU 9 -2.085 -5.976 2.657 92 3HD2 LEU 9 3HD2 LEU 9 -0.712 -5.634 3.710 93 H GLU 10 H GLU 10 -1.190 -6.490 -2.668 94 HA GLU 10 HA GLU 10 -1.840 -4.105 -3.877 95 1HB GLU 10 1HB GLU 10 -1.932 -6.791 -5.230 96 2HB GLU 10 2HB GLU 10 -1.822 -5.196 -5.941 97 1HG GLU 10 1HG GLU 10 0.320 -6.442 -4.225 98 2HG GLU 10 2HG GLU 10 0.385 -6.264 -5.978 99 H LEU 11 H LEU 11 -3.951 -6.927 -3.427 100 HA LEU 11 HA LEU 11 -6.199 -5.949 -4.924 101 1HB LEU 11 1HB LEU 11 -5.809 -7.880 -2.629 102 2HB LEU 11 2HB LEU 11 -7.449 -7.363 -2.996 103 HG LEU 11 HG LEU 11 -5.687 -8.348 -5.249 104 1HD1 LEU 11 1HD1 LEU 11 -5.454 -10.096 -3.579 105 2HD1 LEU 11 2HD1 LEU 11 -7.206 -10.104 -3.273 106 3HD1 LEU 11 3HD1 LEU 11 -6.566 -10.647 -4.841 107 1HD2 LEU 11 1HD2 LEU 11 -8.688 -8.554 -4.673 108 2HD2 LEU 11 2HD2 LEU 11 -7.942 -7.313 -5.699 109 3HD2 LEU 11 3HD2 LEU 11 -7.871 -9.018 -6.179 110 H GLN 12 H GLN 12 -5.307 -5.419 -1.470 111 HA GLN 12 HA GLN 12 -7.576 -3.868 -0.838 112 1HB GLN 12 1HB GLN 12 -5.897 -4.957 0.735 113 2HB GLN 12 2HB GLN 12 -4.742 -3.694 0.315 114 1HG GLN 12 1HG GLN 12 -7.289 -2.510 1.136 115 2HG GLN 12 2HG GLN 12 -6.699 -3.674 2.321 116 1HE2 GLN 12 2HE2 GLN 12 -5.380 -0.977 0.269 117 2HE2 GLN 12 1HE2 GLN 12 -4.292 -0.402 1.527 118 H LEU 13 H LEU 13 -4.725 -3.021 -2.728 119 HA LEU 13 HA LEU 13 -4.963 -0.147 -2.278 120 1HB LEU 13 1HB LEU 13 -3.621 -1.583 -4.580 121 2HB LEU 13 2HB LEU 13 -3.359 0.074 -4.058 122 HG LEU 13 HG LEU 13 -2.734 -2.330 -2.302 123 1HD1 LEU 13 1HD1 LEU 13 -1.557 -2.170 -4.619 124 2HD1 LEU 13 2HD1 LEU 13 -0.817 -0.753 -3.958 125 3HD1 LEU 13 3HD1 LEU 13 -0.575 -2.337 -3.159 126 1HD2 LEU 13 1HD2 LEU 13 -1.736 0.544 -2.141 127 2HD2 LEU 13 2HD2 LEU 13 -3.065 -0.090 -1.156 128 3HD2 LEU 13 3HD2 LEU 13 -1.462 -0.772 -0.969 129 H ILE 14 H ILE 14 -5.645 -2.453 -4.947 130 HA ILE 14 HA ILE 14 -6.952 -0.589 -6.670 131 HB ILE 14 HB ILE 14 -7.425 -3.601 -6.217 132 1HG1 ILE 14 1HG1 ILE 14 -5.144 -3.311 -6.791 133 2HG1 ILE 14 2HG1 ILE 14 -5.964 -3.828 -8.249 134 1HG2 ILE 14 1HG2 ILE 14 -9.322 -2.706 -7.453 135 2HG2 ILE 14 2HG2 ILE 14 -8.256 -1.823 -8.555 136 3HG2 ILE 14 3HG2 ILE 14 -8.283 -3.595 -8.567 137 1HD1 ILE 14 1HD1 ILE 14 -6.086 -1.310 -8.877 138 2HD1 ILE 14 2HD1 ILE 14 -4.946 -1.054 -7.532 139 3HD1 ILE 14 3HD1 ILE 14 -4.493 -2.074 -8.901 140 H LYS 15 H LYS 15 -8.212 -2.647 -4.166 141 HA LYS 15 HA LYS 15 -10.897 -1.746 -4.195 142 1HB LYS 15 1HB LYS 15 -9.553 -3.608 -2.737 143 2HB LYS 15 2HB LYS 15 -9.648 -2.345 -1.528 144 1HG LYS 15 1HG LYS 15 -11.466 -3.886 -1.270 145 2HG LYS 15 2HG LYS 15 -12.172 -2.368 -1.847 146 1HD LYS 15 1HD LYS 15 -12.577 -3.255 -4.021 147 2HD LYS 15 2HD LYS 15 -11.368 -4.539 -3.833 148 1HE LYS 15 1HE LYS 15 -12.767 -5.753 -2.275 149 2HE LYS 15 2HE LYS 15 -13.948 -4.428 -2.211 150 1HZ LYS 15 1HZ LYS 15 -14.441 -4.812 -4.495 151 2HZ LYS 15 2HZ LYS 15 -13.300 -5.998 -4.610 152 3HZ LYS 15 3HZ LYS 15 -14.623 -6.216 -3.653 153 H GLN 16 H GLN 16 -8.156 -0.450 -2.224 154 HA GLN 16 HA GLN 16 -9.723 1.640 -1.010 155 1HB GLN 16 1HB GLN 16 -6.742 1.167 -1.380 156 2HB GLN 16 2HB GLN 16 -7.322 2.702 -0.749 157 1HG GLN 16 1HG GLN 16 -8.045 0.025 0.503 158 2HG GLN 16 2HG GLN 16 -6.721 1.067 1.048 159 1HE2 GLN 16 2HE2 GLN 16 -7.429 3.463 1.506 160 2HE2 GLN 16 1HE2 GLN 16 -8.980 3.628 2.307 161 H TYR 17 H TYR 17 -8.034 1.411 -4.068 162 HA TYR 17 HA TYR 17 -7.974 4.234 -4.639 163 1HB TYR 17 1HB TYR 17 -7.341 1.667 -6.026 164 2HB TYR 17 2HB TYR 17 -8.060 2.840 -7.058 165 HD1 TYR 17 HD1 TYR 17 -7.026 4.930 -7.693 166 HD2 TYR 17 HD2 TYR 17 -5.031 1.992 -5.252 167 HE1 TYR 17 HE1 TYR 17 -4.824 5.909 -8.301 168 HE2 TYR 17 HE2 TYR 17 -2.865 2.860 -5.980 169 HH TYR 17 HH TYR 17 -1.743 4.527 -7.119 170 H ARG 18 H ARG 18 -10.378 1.687 -4.878 171 HA ARG 18 HA ARG 18 -12.115 3.274 -6.659 172 1HB ARG 18 1HB ARG 18 -12.688 0.670 -5.208 173 2HB ARG 18 2HB ARG 18 -13.816 1.545 -6.256 174 1HG ARG 18 1HG ARG 18 -12.059 1.434 -8.102 175 2HG ARG 18 2HG ARG 18 -11.141 0.358 -7.055 176 1HD ARG 18 1HD ARG 18 -12.296 -1.083 -8.454 177 2HD ARG 18 2HD ARG 18 -13.303 -1.101 -6.987 178 HE ARG 18 HE ARG 18 -14.341 0.953 -8.543 179 1HH1 ARG 18 1HH2 ARG 18 -13.826 -2.502 -8.977 180 2HH1 ARG 18 2HH2 ARG 18 -14.949 -2.669 -10.298 181 1HH2 ARG 18 1HH1 ARG 18 -15.800 0.787 -10.285 182 2HH2 ARG 18 2HH1 ARG 18 -16.116 -0.746 -11.048 183 H GLU 19 H GLU 19 -11.815 2.346 -3.295 184 HA GLU 19 HA GLU 19 -14.059 3.733 -2.278 185 1HB GLU 19 1HB GLU 19 -12.458 2.159 -1.000 186 2HB GLU 19 2HB GLU 19 -11.430 3.590 -0.792 187 1HG GLU 19 1HG GLU 19 -13.403 4.782 0.232 188 2HG GLU 19 2HG GLU 19 -14.326 3.277 0.100 189 H ALA 20 H ALA 20 -10.690 4.935 -2.878 190 HA ALA 20 HA ALA 20 -11.519 7.591 -1.875 191 1HB ALA 20 1HB ALA 20 -9.304 6.700 -1.373 192 2HB ALA 20 2HB ALA 20 -8.904 6.718 -3.103 193 3HB ALA 20 3HB ALA 20 -9.262 8.245 -2.233 194 H LEU 21 H LEU 21 -11.089 6.094 -5.073 195 HA LEU 21 HA LEU 21 -11.085 8.204 -6.817 196 1HB LEU 21 1HB LEU 21 -11.095 6.058 -7.725 197 2HB LEU 21 2HB LEU 21 -12.479 5.557 -6.755 198 HG LEU 21 HG LEU 21 -14.016 6.870 -8.170 199 1HD1 LEU 21 1HD1 LEU 21 -12.353 8.554 -9.051 200 2HD1 LEU 21 2HD1 LEU 21 -11.584 7.247 -9.966 201 3HD1 LEU 21 3HD1 LEU 21 -13.252 7.721 -10.330 202 1HD2 LEU 21 1HD2 LEU 21 -12.228 4.807 -9.488 203 2HD2 LEU 21 2HD2 LEU 21 -13.672 4.499 -8.512 204 3HD2 LEU 21 3HD2 LEU 21 -13.834 5.297 -10.086 205 H GLU 22 H GLU 22 -14.004 7.025 -5.087 206 HA GLU 22 HA GLU 22 -15.779 8.865 -6.448 207 1HB GLU 22 1HB GLU 22 -17.389 8.273 -4.622 208 2HB GLU 22 2HB GLU 22 -16.862 6.961 -5.687 209 1HG GLU 22 1HG GLU 22 -15.435 6.021 -4.043 210 2HG GLU 22 2HG GLU 22 -15.525 7.482 -3.035 211 H TYR 23 H TYR 23 -13.933 9.007 -3.422 212 HA TYR 23 HA TYR 23 -15.055 11.517 -2.533 213 1HB TYR 23 1HB TYR 23 -12.680 9.773 -1.824 214 2HB TYR 23 2HB TYR 23 -12.760 11.407 -1.259 215 HD1 TYR 23 HD1 TYR 23 -14.474 8.115 -1.167 216 HD2 TYR 23 HD2 TYR 23 -14.263 12.053 0.549 217 HE1 TYR 23 HE1 TYR 23 -16.000 7.399 0.630 218 HE2 TYR 23 HE2 TYR 23 -15.699 11.299 2.432 219 HH TYR 23 HH TYR 23 -17.043 7.997 2.584 220 H VAL 24 H VAL 24 -12.387 10.515 -4.654 221 HA VAL 24 HA VAL 24 -11.275 13.220 -4.780 222 HB VAL 24 HB VAL 24 -10.596 10.638 -6.216 223 1HG1 VAL 24 1HG1 VAL 24 -9.957 12.433 -7.738 224 2HG1 VAL 24 2HG1 VAL 24 -9.250 13.372 -6.408 225 3HG1 VAL 24 3HG1 VAL 24 -8.501 11.852 -6.925 226 1HG2 VAL 24 1HG2 VAL 24 -9.095 12.295 -4.135 227 2HG2 VAL 24 2HG2 VAL 24 -10.028 10.843 -3.748 228 3HG2 VAL 24 3HG2 VAL 24 -8.602 10.720 -4.789 229 H LYS 25 H LYS 25 -13.523 11.359 -6.761 230 HA LYS 25 HA LYS 25 -14.789 11.889 -8.561 231 1HB LYS 25 1HB LYS 25 -14.379 14.752 -7.619 232 2HB LYS 25 2HB LYS 25 -15.584 14.213 -8.795 233 1HG LYS 25 1HG LYS 25 -16.644 12.779 -7.066 234 2HG LYS 25 2HG LYS 25 -15.445 13.318 -5.887 235 1HD LYS 25 1HD LYS 25 -16.659 15.131 -5.410 236 2HD LYS 25 2HD LYS 25 -16.494 15.704 -7.073 237 1HE LYS 25 1HE LYS 25 -18.501 14.336 -7.718 238 2HE LYS 25 2HE LYS 25 -18.682 13.852 -6.019 239 1HZ LYS 25 1HZ LYS 25 -18.960 16.159 -5.461 240 2HZ LYS 25 2HZ LYS 25 -18.790 16.606 -7.038 241 3HZ LYS 25 3HZ LYS 25 -20.084 15.697 -6.575 242 H LEU 26 H LEU 26 -12.554 11.125 -9.594 243 HA LEU 26 HA LEU 26 -12.133 12.935 -11.900 244 1HB LEU 26 1HB LEU 26 -10.379 13.655 -10.384 245 2HB LEU 26 2HB LEU 26 -10.020 11.974 -9.984 246 HG LEU 26 HG LEU 26 -9.243 11.629 -12.331 247 1HD1 LEU 26 1HD1 LEU 26 -10.124 13.767 -13.427 248 2HD1 LEU 26 2HD1 LEU 26 -8.988 14.682 -12.424 249 3HD1 LEU 26 3HD1 LEU 26 -8.383 13.546 -13.622 250 1HD2 LEU 26 1HD2 LEU 26 -7.564 13.683 -10.864 251 2HD2 LEU 26 2HD2 LEU 26 -7.789 12.044 -10.254 252 3HD2 LEU 26 3HD2 LEU 26 -7.046 12.292 -11.830 253 HA PRO 27 HA PRO 27 -12.600 8.686 -13.400 254 1HB PRO 27 1HB PRO 27 -12.182 9.036 -16.099 255 2HB PRO 27 2HB PRO 27 -13.701 9.444 -15.254 256 1HG PRO 27 1HG PRO 27 -11.427 11.313 -15.965 257 2HG PRO 27 2HG PRO 27 -13.176 11.564 -16.230 258 1HD PRO 27 1HD PRO 27 -11.921 12.652 -14.103 259 2HD PRO 27 2HD PRO 27 -13.555 11.965 -13.903 260 H VAL 28 H VAL 28 -9.802 10.724 -14.354 261 HA VAL 28 HA VAL 28 -7.989 8.793 -15.160 262 HB VAL 28 HB VAL 28 -7.645 11.370 -13.739 263 1HG1 VAL 28 1HG1 VAL 28 -5.828 10.101 -12.767 264 2HG1 VAL 28 2HG1 VAL 28 -5.387 9.451 -14.370 265 3HG1 VAL 28 3HG1 VAL 28 -5.173 11.169 -14.004 266 1HG2 VAL 28 1HG2 VAL 28 -6.583 10.417 -16.408 267 2HG2 VAL 28 2HG2 VAL 28 -8.069 11.378 -16.185 268 3HG2 VAL 28 3HG2 VAL 28 -6.491 12.053 -15.745 269 H LEU 29 H LEU 29 -9.121 9.332 -11.769 270 HA LEU 29 HA LEU 29 -7.053 7.712 -10.554 271 1HB LEU 29 1HB LEU 29 -9.668 8.948 -9.820 272 2HB LEU 29 2HB LEU 29 -9.390 7.427 -9.036 273 HG LEU 29 HG LEU 29 -8.707 9.791 -8.043 274 1HD1 LEU 29 1HD1 LEU 29 -8.635 7.590 -6.895 275 2HD1 LEU 29 2HD1 LEU 29 -7.032 7.310 -7.608 276 3HD1 LEU 29 3HD1 LEU 29 -7.291 8.665 -6.477 277 1HD2 LEU 29 1HD2 LEU 29 -5.967 8.919 -9.007 278 2HD2 LEU 29 2HD2 LEU 29 -6.917 10.091 -9.931 279 3HD2 LEU 29 3HD2 LEU 29 -6.459 10.436 -8.250 280 H ALA 30 H ALA 30 -10.333 6.929 -11.779 281 HA ALA 30 HA ALA 30 -10.143 4.263 -10.853 282 1HB ALA 30 1HB ALA 30 -12.240 4.011 -11.723 283 2HB ALA 30 2HB ALA 30 -12.179 5.770 -11.991 284 3HB ALA 30 3HB ALA 30 -11.819 4.648 -13.312 285 H LYS 31 H LYS 31 -9.106 6.086 -13.775 286 HA LYS 31 HA LYS 31 -8.532 3.779 -15.457 287 1HB LYS 31 1HB LYS 31 -8.633 6.643 -15.770 288 2HB LYS 31 2HB LYS 31 -7.044 6.092 -16.318 289 1HG LYS 31 1HG LYS 31 -8.056 4.500 -17.851 290 2HG LYS 31 2HG LYS 31 -9.668 4.807 -17.169 291 1HD LYS 31 1HD LYS 31 -9.551 7.166 -17.911 292 2HD LYS 31 2HD LYS 31 -7.967 6.864 -18.660 293 1HE LYS 31 1HE LYS 31 -8.916 5.335 -20.268 294 2HE LYS 31 2HE LYS 31 -10.441 5.220 -19.373 295 1HZ LYS 31 1HZ LYS 31 -10.867 7.500 -19.877 296 2HZ LYS 31 2HZ LYS 31 -9.469 7.621 -20.745 297 3HZ LYS 31 3HZ LYS 31 -10.675 6.618 -21.254 298 H ILE 32 H ILE 32 -6.695 5.751 -13.223 299 HA ILE 32 HA ILE 32 -4.051 4.754 -13.868 300 HB ILE 32 HB ILE 32 -5.317 6.074 -11.421 301 1HG1 ILE 32 1HG1 ILE 32 -2.996 6.962 -13.176 302 2HG1 ILE 32 2HG1 ILE 32 -4.656 7.388 -13.520 303 1HG2 ILE 32 1HG2 ILE 32 -3.760 4.527 -10.438 304 2HG2 ILE 32 2HG2 ILE 32 -2.559 4.860 -11.692 305 3HG2 ILE 32 3HG2 ILE 32 -2.942 6.079 -10.458 306 1HD1 ILE 32 1HD1 ILE 32 -4.812 8.492 -11.269 307 2HD1 ILE 32 2HD1 ILE 32 -3.082 8.173 -11.019 308 3HD1 ILE 32 3HD1 ILE 32 -3.597 9.217 -12.342 309 H LEU 33 H LEU 33 -6.681 3.949 -11.486 310 HA LEU 33 HA LEU 33 -5.056 1.889 -10.461 311 1HB LEU 33 1HB LEU 33 -6.916 1.522 -8.952 312 2HB LEU 33 2HB LEU 33 -7.068 3.217 -9.459 313 HG LEU 33 HG LEU 33 -8.719 2.607 -11.046 314 1HD1 LEU 33 1HD1 LEU 33 -8.923 0.441 -11.664 315 2HD1 LEU 33 2HD1 LEU 33 -8.112 -0.136 -10.179 316 3HD1 LEU 33 3HD1 LEU 33 -9.849 0.252 -10.178 317 1HD2 LEU 33 1HD2 LEU 33 -9.384 1.732 -8.256 318 2HD2 LEU 33 2HD2 LEU 33 -9.207 3.440 -8.793 319 3HD2 LEU 33 3HD2 LEU 33 -10.495 2.425 -9.461 320 H GLU 34 H GLU 34 -7.279 1.895 -13.171 321 HA GLU 34 HA GLU 34 -7.598 -0.882 -13.455 322 1HB GLU 34 1HB GLU 34 -8.721 1.025 -14.712 323 2HB GLU 34 2HB GLU 34 -7.304 1.116 -15.740 324 1HG GLU 34 1HG GLU 34 -8.390 -1.646 -15.478 325 2HG GLU 34 2HG GLU 34 -9.528 -0.490 -16.174 326 H ASP 35 H ASP 35 -5.175 1.342 -14.785 327 HA ASP 35 HA ASP 35 -3.588 -0.562 -16.169 328 1HB ASP 35 1HB ASP 35 -3.368 1.965 -16.263 329 2HB ASP 35 2HB ASP 35 -2.482 1.888 -14.733 330 H GLU 36 H GLU 36 -3.182 0.716 -12.840 331 HA GLU 36 HA GLU 36 -1.078 -0.947 -11.984 332 1HB GLU 36 1HB GLU 36 -3.457 -0.051 -10.312 333 2HB GLU 36 2HB GLU 36 -1.886 -0.571 -9.704 334 1HG GLU 36 1HG GLU 36 -2.214 1.910 -11.464 335 2HG GLU 36 2HG GLU 36 -2.302 1.929 -9.704 336 H GLU 37 H GLU 37 -4.609 -1.667 -12.107 337 HA GLU 37 HA GLU 37 -4.622 -4.068 -10.778 338 1HB GLU 37 1HB GLU 37 -6.422 -2.503 -12.142 339 2HB GLU 37 2HB GLU 37 -6.289 -3.834 -13.284 340 1HG GLU 37 1HG GLU 37 -6.775 -4.221 -10.311 341 2HG GLU 37 2HG GLU 37 -8.049 -3.759 -11.434 342 H LYS 38 H LYS 38 -3.662 -3.412 -14.181 343 HA LYS 38 HA LYS 38 -3.376 -6.224 -14.814 344 1HB LYS 38 1HB LYS 38 -3.775 -4.372 -16.452 345 2HB LYS 38 2HB LYS 38 -2.108 -3.826 -16.193 346 1HG LYS 38 1HG LYS 38 -1.237 -6.011 -16.962 347 2HG LYS 38 2HG LYS 38 -2.882 -6.665 -17.042 348 1HD LYS 38 1HD LYS 38 -3.446 -5.001 -18.809 349 2HD LYS 38 2HD LYS 38 -1.767 -4.419 -18.779 350 1HE LYS 38 1HE LYS 38 -0.956 -6.676 -19.420 351 2HE LYS 38 2HE LYS 38 -2.610 -7.311 -19.354 352 1HZ LYS 38 1HZ LYS 38 -3.194 -5.838 -21.128 353 2HZ LYS 38 2HZ LYS 38 -1.656 -5.249 -21.208 354 3HZ LYS 38 3HZ LYS 38 -1.957 -6.828 -21.575 355 H HIS 39 H HIS 39 -1.112 -3.669 -13.779 356 HA HIS 39 HA HIS 39 1.298 -5.170 -13.840 357 1HB HIS 39 1HB HIS 39 0.273 -2.912 -12.071 358 2HB HIS 39 2HB HIS 39 1.802 -3.659 -11.774 359 HD1 HIS 39 HD1 HIS 39 3.627 -3.406 -13.838 360 HD2 HIS 39 HD2 HIS 39 0.018 -1.291 -14.201 361 HE1 HIS 39 HE1 HIS 39 3.928 -1.797 -15.791 362 HE2 HIS 39 HE2 HIS 39 1.685 -0.525 -16.028 363 H ILE 40 H ILE 40 -1.233 -4.998 -11.398 364 HA ILE 40 HA ILE 40 0.057 -6.812 -9.521 365 HB ILE 40 HB ILE 40 -2.691 -5.541 -9.756 366 1HG1 ILE 40 1HG1 ILE 40 -0.574 -5.103 -7.630 367 2HG1 ILE 40 2HG1 ILE 40 -0.436 -4.255 -9.137 368 1HG2 ILE 40 1HG2 ILE 40 -2.999 -7.671 -8.563 369 2HG2 ILE 40 2HG2 ILE 40 -1.616 -7.303 -7.515 370 3HG2 ILE 40 3HG2 ILE 40 -3.111 -6.336 -7.432 371 1HD1 ILE 40 1HD1 ILE 40 -2.565 -3.186 -8.929 372 2HD1 ILE 40 2HD1 ILE 40 -2.948 -4.047 -7.438 373 3HD1 ILE 40 3HD1 ILE 40 -1.612 -2.873 -7.474 374 H GLU 41 H GLU 41 -2.270 -7.047 -12.211 375 HA GLU 41 HA GLU 41 -3.420 -9.508 -11.553 376 1HB GLU 41 1HB GLU 41 -4.202 -7.967 -13.360 377 2HB GLU 41 2HB GLU 41 -2.819 -8.459 -14.360 378 1HG GLU 41 1HG GLU 41 -4.323 -10.758 -13.319 379 2HG GLU 41 2HG GLU 41 -5.358 -9.623 -14.192 380 H TRP 42 H TRP 42 -0.338 -8.638 -13.080 381 HA TRP 42 HA TRP 42 0.459 -11.110 -14.084 382 1HB TRP 42 1HB TRP 42 1.514 -8.704 -14.086 383 2HB TRP 42 2HB TRP 42 2.319 -9.221 -12.613 384 HD1 TRP 42 HD1 TRP 42 2.007 -10.082 -16.330 385 HE1 TRP 42 HE1 TRP 42 4.020 -11.473 -17.071 386 HE3 TRP 42 HE3 TRP 42 4.183 -10.653 -11.835 387 HZ2 TRP 42 HZ2 TRP 42 6.383 -12.667 -15.835 388 HZ3 TRP 42 HZ3 TRP 42 6.346 -11.952 -11.583 389 HH2 TRP 42 HH2 TRP 42 7.402 -12.988 -13.585 390 H LEU 43 H LEU 43 0.594 -9.861 -10.734 391 HA LEU 43 HA LEU 43 1.905 -12.231 -9.687 392 1HB LEU 43 1HB LEU 43 0.590 -9.831 -8.426 393 2HB LEU 43 2HB LEU 43 1.318 -11.121 -7.472 394 HG LEU 43 HG LEU 43 3.156 -10.086 -9.544 395 1HD1 LEU 43 1HD1 LEU 43 2.342 -7.914 -9.350 396 2HD1 LEU 43 2HD1 LEU 43 1.853 -8.092 -7.669 397 3HD1 LEU 43 3HD1 LEU 43 3.561 -7.942 -8.066 398 1HD2 LEU 43 1HD2 LEU 43 3.362 -10.279 -6.508 399 2HD2 LEU 43 2HD2 LEU 43 3.880 -11.509 -7.668 400 3HD2 LEU 43 3HD2 LEU 43 4.693 -9.934 -7.612 401 H GLU 44 H GLU 44 -1.419 -11.554 -10.487 402 HA GLU 44 HA GLU 44 -2.521 -13.631 -8.613 403 1HB GLU 44 1HB GLU 44 -3.715 -11.649 -10.581 404 2HB GLU 44 2HB GLU 44 -4.567 -13.145 -10.267 405 1HG GLU 44 1HG GLU 44 -3.915 -12.189 -7.684 406 2HG GLU 44 2HG GLU 44 -4.420 -10.761 -8.597 407 H THR 45 H THR 45 -1.606 -13.135 -11.634 408 HA THR 45 HA THR 45 -2.684 -15.485 -13.023 409 HB THR 45 HB THR 45 -1.582 -13.067 -13.861 410 HG1 THR 45 HG1 THR 45 -2.517 -13.581 -15.690 411 1HG2 THR 45 1HG2 THR 45 0.705 -13.969 -14.046 412 2HG2 THR 45 2HG2 THR 45 0.104 -15.184 -15.189 413 3HG2 THR 45 3HG2 THR 45 0.003 -13.450 -15.573 414 H ILE 46 H ILE 46 0.309 -14.757 -11.528 415 HA ILE 46 HA ILE 46 1.966 -16.470 -13.063 416 HB ILE 46 HB ILE 46 2.679 -14.495 -11.933 417 1HG1 ILE 46 1HG1 ILE 46 4.394 -16.497 -10.497 418 2HG1 ILE 46 2HG1 ILE 46 4.224 -16.696 -12.256 419 1HG2 ILE 46 1HG2 ILE 46 1.256 -14.621 -9.987 420 2HG2 ILE 46 2HG2 ILE 46 2.234 -15.892 -9.291 421 3HG2 ILE 46 3HG2 ILE 46 2.902 -14.250 -9.561 422 1HD1 ILE 46 1HD1 ILE 46 4.761 -14.396 -12.665 423 2HD1 ILE 46 2HD1 ILE 46 4.891 -14.069 -10.918 424 3HD1 ILE 46 3HD1 ILE 46 6.066 -15.159 -11.720 425 H LEU 47 H LEU 47 0.133 -17.138 -10.138 426 HA LEU 47 HA LEU 47 0.759 -19.989 -10.441 427 1HB LEU 47 1HB LEU 47 2.459 -18.831 -8.846 428 2HB LEU 47 2HB LEU 47 1.136 -18.762 -7.686 429 HG LEU 47 HG LEU 47 2.283 -21.248 -9.064 430 1HD1 LEU 47 1HD1 LEU 47 3.789 -20.237 -7.396 431 2HD1 LEU 47 2HD1 LEU 47 2.495 -20.297 -6.179 432 3HD1 LEU 47 3HD1 LEU 47 3.172 -21.802 -6.840 433 1HD2 LEU 47 1HD2 LEU 47 0.082 -21.017 -6.965 434 2HD2 LEU 47 2HD2 LEU 47 -0.041 -21.721 -8.596 435 3HD2 LEU 47 3HD2 LEU 47 0.925 -22.527 -7.361 436 H GLY 48 H GLY 48 -1.427 -19.594 -11.287 437 1HA GLY 48 1HA GLY 48 -3.604 -18.778 -9.682 438 2HA GLY 48 2HA GLY 48 -3.703 -19.838 -11.098 439 1HN NH2 49 1HN NH2 49 -1.865 -21.893 -9.781 440 2HN NH2 49 2HN NH2 49 -2.944 -22.754 -8.651 441 1H ACE 0 H1 ACE 0 -4.644 16.890 2.739 442 2H ACE 0 H2 ACE 0 -5.612 16.678 1.263 443 3H ACE 0 H3 ACE 0 -6.413 16.936 2.830 444 H ASP 1 H ASP 1 -7.568 15.008 2.914 445 HA ASP 1 HA ASP 1 -6.231 12.807 4.081 446 1HB ASP 1 1HB ASP 1 -8.565 13.270 4.569 447 2HB ASP 1 2HB ASP 1 -9.026 12.998 2.877 448 H TYR 2 H TYR 2 -7.777 13.022 0.850 449 HA TYR 2 HA TYR 2 -7.275 10.470 -0.049 450 1HB TYR 2 1HB TYR 2 -7.180 12.883 -1.863 451 2HB TYR 2 2HB TYR 2 -7.873 11.290 -2.137 452 HD1 TYR 2 HD1 TYR 2 -9.647 10.829 0.161 453 HD2 TYR 2 HD2 TYR 2 -8.907 14.472 -2.040 454 HE1 TYR 2 HE1 TYR 2 -11.630 11.857 1.190 455 HE2 TYR 2 HE2 TYR 2 -10.969 15.454 -1.084 456 HH TYR 2 HH TYR 2 -13.002 13.713 1.276 457 H LEU 3 H LEU 3 -5.200 13.343 -0.457 458 HA LEU 3 HA LEU 3 -3.125 12.021 -1.906 459 1HB LEU 3 1HB LEU 3 -2.933 14.463 -0.105 460 2HB LEU 3 2HB LEU 3 -1.781 13.978 -1.356 461 HG LEU 3 HG LEU 3 -4.678 14.853 -1.826 462 1HD1 LEU 3 1HD1 LEU 3 -3.173 16.689 -1.179 463 2HD1 LEU 3 2HD1 LEU 3 -2.046 16.229 -2.474 464 3HD1 LEU 3 3HD1 LEU 3 -3.670 16.821 -2.875 465 1HD2 LEU 3 1HD2 LEU 3 -2.511 14.064 -3.824 466 2HD2 LEU 3 2HD2 LEU 3 -4.059 13.228 -3.562 467 3HD2 LEU 3 3HD2 LEU 3 -4.042 14.855 -4.241 468 H ARG 4 H ARG 4 -3.784 12.406 1.593 469 HA ARG 4 HA ARG 4 -1.322 10.956 2.337 470 1HB ARG 4 1HB ARG 4 -3.686 11.984 3.930 471 2HB ARG 4 2HB ARG 4 -2.288 11.192 4.644 472 1HG ARG 4 1HG ARG 4 -1.885 13.682 2.939 473 2HG ARG 4 2HG ARG 4 -2.475 13.792 4.594 474 1HD ARG 4 1HD ARG 4 -0.153 14.072 4.753 475 2HD ARG 4 2HD ARG 4 -0.492 12.443 5.371 476 HE ARG 4 HE ARG 4 0.148 12.367 2.565 477 1HH1 ARG 4 1HH2 ARG 4 1.617 12.883 5.720 478 2HH1 ARG 4 2HH2 ARG 4 3.243 12.523 5.209 479 1HH2 ARG 4 1HH1 ARG 4 2.270 11.890 1.845 480 2HH2 ARG 4 2HH1 ARG 4 3.619 11.935 2.943 481 H GLU 5 H GLU 5 -3.646 9.762 0.631 482 HA GLU 5 HA GLU 5 -3.666 7.204 2.178 483 1HB GLU 5 1HB GLU 5 -5.878 8.355 2.159 484 2HB GLU 5 2HB GLU 5 -5.923 8.271 0.402 485 1HG GLU 5 1HG GLU 5 -6.528 6.075 0.405 486 2HG GLU 5 2HG GLU 5 -5.369 5.653 1.676 487 H LEU 6 H LEU 6 -4.238 8.501 -1.127 488 HA LEU 6 HA LEU 6 -3.266 5.963 -2.271 489 1HB LEU 6 1HB LEU 6 -4.150 8.455 -3.695 490 2HB LEU 6 2HB LEU 6 -3.903 6.862 -4.381 491 HG LEU 6 HG LEU 6 -5.990 6.304 -2.668 492 1HD1 LEU 6 1HD1 LEU 6 -6.723 8.388 -1.892 493 2HD1 LEU 6 2HD1 LEU 6 -5.996 9.305 -3.221 494 3HD1 LEU 6 3HD1 LEU 6 -7.480 8.445 -3.499 495 1HD2 LEU 6 1HD2 LEU 6 -5.874 7.272 -5.508 496 2HD2 LEU 6 2HD2 LEU 6 -5.825 5.623 -4.870 497 3HD2 LEU 6 3HD2 LEU 6 -7.330 6.546 -4.777 498 H LEU 7 H LEU 7 -1.387 7.807 -0.866 499 HA LEU 7 HA LEU 7 0.600 7.675 -2.967 500 1HB LEU 7 1HB LEU 7 -0.170 9.990 -3.073 501 2HB LEU 7 2HB LEU 7 0.266 10.242 -1.383 502 HG LEU 7 HG LEU 7 2.341 9.413 -3.442 503 1HD1 LEU 7 1HD1 LEU 7 1.291 11.375 -4.353 504 2HD1 LEU 7 2HD1 LEU 7 1.305 12.199 -2.781 505 3HD1 LEU 7 3HD1 LEU 7 2.827 11.877 -3.643 506 1HD2 LEU 7 1HD2 LEU 7 2.405 10.712 -0.680 507 2HD2 LEU 7 2HD2 LEU 7 3.246 9.243 -1.228 508 3HD2 LEU 7 3HD2 LEU 7 3.772 10.822 -1.801 509 H LYS 8 H LYS 8 0.173 8.556 0.489 510 HA LYS 8 HA LYS 8 2.689 7.634 1.209 511 1HB LYS 8 1HB LYS 8 1.932 7.600 3.518 512 2HB LYS 8 2HB LYS 8 1.531 9.071 2.644 513 1HG LYS 8 1HG LYS 8 -0.435 8.815 3.713 514 2HG LYS 8 2HG LYS 8 -0.810 7.919 2.251 515 1HD LYS 8 1HD LYS 8 -1.674 6.587 3.885 516 2HD LYS 8 2HD LYS 8 -0.124 5.779 3.645 517 1HE LYS 8 1HE LYS 8 -0.741 7.829 5.838 518 2HE LYS 8 2HE LYS 8 -0.867 6.078 6.028 519 1HZ LYS 8 1HZ LYS 8 1.192 6.794 6.854 520 2HZ LYS 8 2HZ LYS 8 1.469 5.913 5.489 521 3HZ LYS 8 3HZ LYS 8 1.590 7.558 5.452 522 H LEU 9 H LEU 9 -0.375 5.826 0.914 523 HA LEU 9 HA LEU 9 0.729 3.319 1.903 524 1HB LEU 9 1HB LEU 9 -1.595 3.890 0.013 525 2HB LEU 9 2HB LEU 9 -1.191 2.299 0.653 526 HG LEU 9 HG LEU 9 -1.941 4.679 2.403 527 1HD1 LEU 9 1HD1 LEU 9 -3.811 3.975 0.938 528 2HD1 LEU 9 2HD1 LEU 9 -3.649 2.312 1.538 529 3HD1 LEU 9 3HD1 LEU 9 -4.124 3.616 2.647 530 1HD2 LEU 9 1HD2 LEU 9 -1.672 1.694 3.014 531 2HD2 LEU 9 2HD2 LEU 9 -0.610 2.977 3.630 532 3HD2 LEU 9 3HD2 LEU 9 -2.299 2.915 4.136 533 H GLU 10 H GLU 10 0.578 5.035 -1.242 534 HA GLU 10 HA GLU 10 1.296 2.821 -2.789 535 1HB GLU 10 1HB GLU 10 1.885 5.699 -3.430 536 2HB GLU 10 2HB GLU 10 1.801 4.272 -4.469 537 1HG GLU 10 1HG GLU 10 -0.584 5.386 -2.971 538 2HG GLU 10 2HG GLU 10 -0.238 5.691 -4.676 539 H LEU 11 H LEU 11 3.243 5.276 -1.115 540 HA LEU 11 HA LEU 11 5.804 4.570 -2.186 541 1HB LEU 11 1HB LEU 11 4.767 5.958 0.254 542 2HB LEU 11 2HB LEU 11 6.350 5.222 0.478 543 HG LEU 11 HG LEU 11 5.767 6.989 -1.923 544 1HD1 LEU 11 1HD1 LEU 11 5.268 8.294 0.109 545 2HD1 LEU 11 2HD1 LEU 11 6.842 7.845 0.802 546 3HD1 LEU 11 3HD1 LEU 11 6.763 8.857 -0.658 547 1HD2 LEU 11 1HD2 LEU 11 8.346 6.246 -0.440 548 2HD2 LEU 11 2HD2 LEU 11 7.827 5.535 -1.978 549 3HD2 LEU 11 3HD2 LEU 11 8.233 7.256 -1.896 550 H GLN 12 H GLN 12 3.928 3.050 0.451 551 HA GLN 12 HA GLN 12 5.958 1.299 1.328 552 1HB GLN 12 1HB GLN 12 3.516 1.887 2.287 553 2HB GLN 12 2HB GLN 12 2.998 0.581 1.209 554 1HG GLN 12 1HG GLN 12 4.830 -0.825 2.367 555 2HG GLN 12 2HG GLN 12 4.868 0.451 3.590 556 1HE2 GLN 12 2HE2 GLN 12 2.683 -1.899 1.942 557 2HE2 GLN 12 1HE2 GLN 12 1.577 -2.033 3.298 558 H LEU 13 H LEU 13 3.968 1.256 -1.533 559 HA LEU 13 HA LEU 13 4.192 -1.571 -2.134 560 1HB LEU 13 1HB LEU 13 3.750 0.655 -4.168 561 2HB LEU 13 2HB LEU 13 3.280 -1.034 -4.243 562 HG LEU 13 HG LEU 13 2.122 0.980 -2.285 563 1HD1 LEU 13 1HD1 LEU 13 1.702 1.479 -4.702 564 2HD1 LEU 13 2HD1 LEU 13 1.046 -0.142 -4.911 565 3HD1 LEU 13 3HD1 LEU 13 0.237 1.045 -3.836 566 1HD2 LEU 13 1HD2 LEU 13 1.502 -1.901 -2.867 567 2HD2 LEU 13 2HD2 LEU 13 2.074 -1.208 -1.342 568 3HD2 LEU 13 3HD2 LEU 13 0.475 -0.785 -1.910 569 H ILE 14 H ILE 14 5.637 1.468 -3.385 570 HA ILE 14 HA ILE 14 7.442 0.151 -5.162 571 HB ILE 14 HB ILE 14 7.697 2.862 -3.696 572 1HG1 ILE 14 1HG1 ILE 14 5.591 2.973 -4.723 573 2HG1 ILE 14 2HG1 ILE 14 6.672 3.776 -5.836 574 1HG2 ILE 14 1HG2 ILE 14 9.802 2.207 -4.886 575 2HG2 ILE 14 2HG2 ILE 14 8.883 2.040 -6.390 576 3HG2 ILE 14 3HG2 ILE 14 9.022 3.619 -5.612 577 1HD1 ILE 14 1HD1 ILE 14 6.802 1.548 -7.125 578 2HD1 ILE 14 2HD1 ILE 14 5.481 0.981 -6.080 579 3HD1 ILE 14 3HD1 ILE 14 5.237 2.368 -7.137 580 H LYS 15 H LYS 15 7.762 1.046 -1.810 581 HA LYS 15 HA LYS 15 10.404 0.057 -1.391 582 1HB LYS 15 1HB LYS 15 8.498 1.370 0.155 583 2HB LYS 15 2HB LYS 15 8.454 -0.244 0.839 584 1HG LYS 15 1HG LYS 15 10.059 1.045 2.068 585 2HG LYS 15 2HG LYS 15 10.980 -0.085 1.074 586 1HD LYS 15 1HD LYS 15 12.149 1.691 0.296 587 2HD LYS 15 2HD LYS 15 10.705 2.189 -0.596 588 1HE LYS 15 1HE LYS 15 9.978 3.616 1.249 589 2HE LYS 15 2HE LYS 15 11.311 3.038 2.273 590 1HZ LYS 15 1HZ LYS 15 12.848 3.983 0.727 591 2HZ LYS 15 2HZ LYS 15 11.625 4.540 -0.227 592 3HZ LYS 15 3HZ LYS 15 11.819 5.134 1.297 593 H GLN 16 H GLN 16 7.200 -1.595 -0.918 594 HA GLN 16 HA GLN 16 8.378 -4.097 -0.120 595 1HB GLN 16 1HB GLN 16 5.659 -3.239 -1.171 596 2HB GLN 16 2HB GLN 16 6.020 -4.947 -1.000 597 1HG GLN 16 1HG GLN 16 6.323 -2.946 1.273 598 2HG GLN 16 2HG GLN 16 4.887 -3.951 1.004 599 1HE2 GLN 16 2HE2 GLN 16 6.683 -4.009 3.380 600 2HE2 GLN 16 1HE2 GLN 16 7.307 -5.652 3.397 601 H TYR 17 H TYR 17 7.626 -2.744 -3.234 602 HA TYR 17 HA TYR 17 7.872 -5.135 -4.807 603 1HB TYR 17 1HB TYR 17 7.698 -2.137 -5.285 604 2HB TYR 17 2HB TYR 17 8.239 -3.161 -6.563 605 HD1 TYR 17 HD1 TYR 17 6.748 -5.365 -6.927 606 HD2 TYR 17 HD2 TYR 17 5.380 -1.525 -5.606 607 HE1 TYR 17 HE1 TYR 17 4.508 -5.829 -7.896 608 HE2 TYR 17 HE2 TYR 17 3.092 -2.082 -6.351 609 HH TYR 17 HH TYR 17 1.720 -3.693 -7.315 610 H ARG 18 H ARG 18 10.081 -2.819 -3.452 611 HA ARG 18 HA ARG 18 12.315 -3.639 -5.187 612 1HB ARG 18 1HB ARG 18 12.082 -1.686 -2.880 613 2HB ARG 18 2HB ARG 18 13.643 -2.325 -3.422 614 1HG ARG 18 1HG ARG 18 13.169 -1.594 -5.728 615 2HG ARG 18 2HG ARG 18 11.652 -0.857 -5.196 616 1HD ARG 18 1HD ARG 18 12.737 0.967 -4.279 617 2HD ARG 18 2HD ARG 18 14.017 -0.028 -3.593 618 HE ARG 18 HE ARG 18 15.364 0.385 -5.355 619 1HH1 ARG 18 1HH2 ARG 18 12.059 1.072 -6.320 620 2HH1 ARG 18 2HH2 ARG 18 12.465 1.659 -7.910 621 1HH2 ARG 18 1HH1 ARG 18 15.947 1.071 -7.453 622 2HH2 ARG 18 2HH1 ARG 18 14.739 1.636 -8.573 623 H GLU 19 H GLU 19 11.123 -4.025 -1.913 624 HA GLU 19 HA GLU 19 13.092 -5.772 -0.924 625 1HB GLU 19 1HB GLU 19 11.041 -4.777 0.334 626 2HB GLU 19 2HB GLU 19 10.170 -6.194 -0.279 627 1HG GLU 19 1HG GLU 19 12.017 -7.636 0.729 628 2HG GLU 19 2HG GLU 19 12.637 -6.170 1.503 629 H ALA 20 H ALA 20 10.054 -6.586 -2.753 630 HA ALA 20 HA ALA 20 10.799 -9.385 -2.688 631 1HB ALA 20 1HB ALA 20 8.482 -8.310 -2.856 632 2HB ALA 20 2HB ALA 20 8.796 -8.275 -4.613 633 3HB ALA 20 3HB ALA 20 8.767 -9.815 -3.732 634 H LEU 21 H LEU 21 11.619 -6.769 -4.864 635 HA LEU 21 HA LEU 21 11.798 -7.832 -7.329 636 1HB LEU 21 1HB LEU 21 12.432 -5.529 -6.381 637 2HB LEU 21 2HB LEU 21 14.065 -6.135 -6.218 638 HG LEU 21 HG LEU 21 12.427 -5.942 -8.795 639 1HD1 LEU 21 1HD1 LEU 21 12.786 -3.752 -8.044 640 2HD1 LEU 21 2HD1 LEU 21 14.401 -4.112 -7.405 641 3HD1 LEU 21 3HD1 LEU 21 14.153 -4.004 -9.142 642 1HD2 LEU 21 1HD2 LEU 21 15.369 -6.599 -8.375 643 2HD2 LEU 21 2HD2 LEU 21 14.122 -7.649 -9.097 644 3HD2 LEU 21 3HD2 LEU 21 14.627 -6.191 -9.939 645 H GLU 22 H GLU 22 14.532 -7.981 -5.027 646 HA GLU 22 HA GLU 22 16.053 -9.713 -6.829 647 1HB GLU 22 1HB GLU 22 16.726 -8.659 -4.047 648 2HB GLU 22 2HB GLU 22 17.766 -9.685 -5.044 649 1HG GLU 22 1HG GLU 22 17.607 -7.921 -6.881 650 2HG GLU 22 2HG GLU 22 16.858 -6.851 -5.681 651 H TYR 23 H TYR 23 14.195 -9.956 -3.826 652 HA TYR 23 HA TYR 23 14.922 -12.611 -3.167 653 1HB TYR 23 1HB TYR 23 12.779 -10.661 -2.476 654 2HB TYR 23 2HB TYR 23 12.266 -12.314 -2.348 655 HD1 TYR 23 HD1 TYR 23 14.621 -13.760 -1.286 656 HD2 TYR 23 HD2 TYR 23 12.933 -9.927 -0.235 657 HE1 TYR 23 HE1 TYR 23 15.499 -14.002 0.992 658 HE2 TYR 23 HE2 TYR 23 13.772 -10.208 2.075 659 HH TYR 23 HH TYR 23 15.574 -13.119 3.103 660 H VAL 24 H VAL 24 12.700 -11.343 -5.563 661 HA VAL 24 HA VAL 24 11.754 -14.055 -6.316 662 HB VAL 24 HB VAL 24 11.088 -11.271 -7.320 663 1HG1 VAL 24 1HG1 VAL 24 10.763 -12.790 -9.194 664 2HG1 VAL 24 2HG1 VAL 24 9.970 -13.987 -8.148 665 3HG1 VAL 24 3HG1 VAL 24 9.175 -12.444 -8.499 666 1HG2 VAL 24 1HG2 VAL 24 9.348 -13.284 -5.845 667 2HG2 VAL 24 2HG2 VAL 24 10.204 -11.982 -5.002 668 3HG2 VAL 24 3HG2 VAL 24 8.959 -11.596 -6.197 669 H LYS 25 H LYS 25 13.983 -11.539 -7.397 670 HA LYS 25 HA LYS 25 15.548 -11.409 -8.992 671 1HB LYS 25 1HB LYS 25 15.397 -14.456 -8.993 672 2HB LYS 25 2HB LYS 25 16.394 -13.531 -10.107 673 1HG LYS 25 1HG LYS 25 17.242 -12.324 -7.889 674 2HG LYS 25 2HG LYS 25 16.707 -13.821 -7.127 675 1HD LYS 25 1HD LYS 25 18.551 -13.684 -9.575 676 2HD LYS 25 2HD LYS 25 19.158 -13.680 -7.916 677 1HE LYS 25 1HE LYS 25 18.299 -15.875 -7.467 678 2HE LYS 25 2HE LYS 25 17.359 -15.909 -8.969 679 1HZ LYS 25 1HZ LYS 25 19.344 -15.960 -10.209 680 2HZ LYS 25 2HZ LYS 25 20.290 -15.770 -8.872 681 3HZ LYS 25 3HZ LYS 25 19.422 -17.156 -9.080 682 H LEU 26 H LEU 26 13.688 -10.257 -9.944 683 HA LEU 26 HA LEU 26 13.347 -11.264 -12.712 684 1HB LEU 26 1HB LEU 26 11.466 -12.180 -11.427 685 2HB LEU 26 2HB LEU 26 11.129 -10.571 -10.780 686 HG LEU 26 HG LEU 26 10.757 -9.852 -13.228 687 1HD1 LEU 26 1HD1 LEU 26 11.719 -11.876 -14.334 688 2HD1 LEU 26 2HD1 LEU 26 10.477 -12.874 -13.559 689 3HD1 LEU 26 3HD1 LEU 26 10.015 -11.655 -14.760 690 1HD2 LEU 26 1HD2 LEU 26 8.420 -10.649 -13.127 691 2HD2 LEU 26 2HD2 LEU 26 8.882 -11.794 -11.845 692 3HD2 LEU 26 3HD2 LEU 26 8.980 -10.041 -11.572 693 HA PRO 27 HA PRO 27 14.001 -6.765 -12.974 694 1HB PRO 27 1HB PRO 27 14.209 -6.461 -15.676 695 2HB PRO 27 2HB PRO 27 15.511 -7.145 -14.664 696 1HG PRO 27 1HG PRO 27 13.457 -8.659 -16.290 697 2HG PRO 27 2HG PRO 27 15.222 -8.924 -16.231 698 1HD PRO 27 1HD PRO 27 13.478 -10.411 -14.760 699 2HD PRO 27 2HD PRO 27 15.081 -9.972 -14.106 700 H VAL 28 H VAL 28 11.531 -8.586 -14.839 701 HA VAL 28 HA VAL 28 9.803 -6.526 -15.574 702 HB VAL 28 HB VAL 28 9.270 -9.323 -14.699 703 1HG1 VAL 28 1HG1 VAL 28 7.244 -8.246 -14.069 704 2HG1 VAL 28 2HG1 VAL 28 7.209 -7.284 -15.571 705 3HG1 VAL 28 3HG1 VAL 28 6.940 -9.040 -15.609 706 1HG2 VAL 28 1HG2 VAL 28 8.908 -8.028 -17.409 707 2HG2 VAL 28 2HG2 VAL 28 10.310 -9.027 -16.931 708 3HG2 VAL 28 3HG2 VAL 28 8.689 -9.735 -17.001 709 H LEU 29 H LEU 29 10.327 -7.896 -12.318 710 HA LEU 29 HA LEU 29 8.079 -6.658 -11.030 711 1HB LEU 29 1HB LEU 29 10.419 -8.238 -10.296 712 2HB LEU 29 2HB LEU 29 10.321 -6.860 -9.212 713 HG LEU 29 HG LEU 29 7.844 -8.511 -9.785 714 1HD1 LEU 29 1HD1 LEU 29 9.534 -10.166 -9.181 715 2HD1 LEU 29 2HD1 LEU 29 10.008 -9.209 -7.762 716 3HD1 LEU 29 3HD1 LEU 29 8.389 -9.932 -7.853 717 1HD2 LEU 29 1HD2 LEU 29 8.852 -7.044 -7.299 718 2HD2 LEU 29 2HD2 LEU 29 7.809 -6.324 -8.547 719 3HD2 LEU 29 3HD2 LEU 29 7.223 -7.699 -7.577 720 H ALA 30 H ALA 30 11.475 -5.615 -10.883 721 HA ALA 30 HA ALA 30 11.139 -3.036 -10.193 722 1HB ALA 30 1HB ALA 30 13.304 -4.367 -11.068 723 2HB ALA 30 2HB ALA 30 12.964 -3.522 -12.573 724 3HB ALA 30 3HB ALA 30 13.273 -2.583 -11.104 725 H LYS 31 H LYS 31 10.473 -4.248 -13.468 726 HA LYS 31 HA LYS 31 10.019 -1.524 -14.472 727 1HB LYS 31 1HB LYS 31 9.383 -4.212 -15.715 728 2HB LYS 31 2HB LYS 31 9.103 -2.639 -16.484 729 1HG LYS 31 1HG LYS 31 11.489 -2.055 -16.222 730 2HG LYS 31 2HG LYS 31 11.817 -3.645 -15.508 731 1HD LYS 31 1HD LYS 31 11.027 -4.747 -17.592 732 2HD LYS 31 2HD LYS 31 10.710 -3.164 -18.321 733 1HE LYS 31 1HE LYS 31 13.448 -4.169 -17.387 734 2HE LYS 31 2HE LYS 31 12.881 -4.133 -19.065 735 1HZ LYS 31 1HZ LYS 31 12.688 -1.751 -18.883 736 2HZ LYS 31 2HZ LYS 31 13.265 -1.788 -17.341 737 3HZ LYS 31 3HZ LYS 31 14.229 -2.251 -18.591 738 H ILE 32 H ILE 32 8.029 -3.949 -12.881 739 HA ILE 32 HA ILE 32 5.517 -2.747 -13.682 740 HB ILE 32 HB ILE 32 6.402 -4.835 -11.647 741 1HG1 ILE 32 1HG1 ILE 32 4.354 -5.141 -13.871 742 2HG1 ILE 32 2HG1 ILE 32 6.080 -5.358 -14.146 743 1HG2 ILE 32 1HG2 ILE 32 4.767 -3.887 -10.354 744 2HG2 ILE 32 2HG2 ILE 32 3.860 -3.290 -11.739 745 3HG2 ILE 32 3HG2 ILE 32 3.772 -5.008 -11.297 746 1HD1 ILE 32 1HD1 ILE 32 6.130 -7.116 -12.384 747 2HD1 ILE 32 2HD1 ILE 32 4.379 -6.941 -12.163 748 3HD1 ILE 32 3HD1 ILE 32 5.012 -7.500 -13.712 749 H LEU 33 H LEU 33 7.722 -2.762 -10.851 750 HA LEU 33 HA LEU 33 6.087 -1.054 -9.233 751 1HB LEU 33 1HB LEU 33 7.724 -1.230 -7.706 752 2HB LEU 33 2HB LEU 33 8.025 -2.661 -8.718 753 HG LEU 33 HG LEU 33 9.838 -1.457 -9.788 754 1HD1 LEU 33 1HD1 LEU 33 10.073 0.731 -9.567 755 2HD1 LEU 33 2HD1 LEU 33 8.842 0.787 -8.276 756 3HD1 LEU 33 3HD1 LEU 33 10.529 0.448 -7.878 757 1HD2 LEU 33 1HD2 LEU 33 9.983 -1.721 -6.773 758 2HD2 LEU 33 2HD2 LEU 33 10.144 -3.060 -7.935 759 3HD2 LEU 33 3HD2 LEU 33 11.369 -1.777 -7.887 760 H GLU 34 H GLU 34 8.657 -0.379 -11.687 761 HA GLU 34 HA GLU 34 8.910 2.387 -11.296 762 1HB GLU 34 1HB GLU 34 10.203 0.833 -12.928 763 2HB GLU 34 2HB GLU 34 8.879 1.118 -14.049 764 1HG GLU 34 1HG GLU 34 9.327 3.682 -13.495 765 2HG GLU 34 2HG GLU 34 10.895 3.088 -12.943 766 H ASP 35 H ASP 35 6.713 0.627 -13.492 767 HA ASP 35 HA ASP 35 5.397 2.884 -14.583 768 1HB ASP 35 1HB ASP 35 5.165 0.487 -15.364 769 2HB ASP 35 2HB ASP 35 4.070 0.219 -13.990 770 H GLU 36 H GLU 36 4.566 0.905 -11.708 771 HA GLU 36 HA GLU 36 2.350 2.443 -10.882 772 1HB GLU 36 1HB GLU 36 4.310 1.061 -9.008 773 2HB GLU 36 2HB GLU 36 2.644 1.545 -8.697 774 1HG GLU 36 1HG GLU 36 2.475 -0.103 -11.009 775 2HG GLU 36 2HG GLU 36 3.694 -0.884 -10.002 776 H GLU 37 H GLU 37 5.867 2.945 -10.241 777 HA GLU 37 HA GLU 37 5.703 5.037 -8.429 778 1HB GLU 37 1HB GLU 37 7.662 3.648 -9.784 779 2HB GLU 37 2HB GLU 37 7.837 5.243 -10.516 780 1HG GLU 37 1HG GLU 37 7.706 4.826 -7.510 781 2HG GLU 37 2HG GLU 37 9.158 4.468 -8.437 782 H LYS 38 H LYS 38 5.610 5.208 -12.015 783 HA LYS 38 HA LYS 38 5.296 8.082 -12.107 784 1HB LYS 38 1HB LYS 38 5.972 6.651 -14.044 785 2HB LYS 38 2HB LYS 38 4.342 5.955 -14.070 786 1HG LYS 38 1HG LYS 38 3.395 8.264 -14.420 787 2HG LYS 38 2HG LYS 38 5.040 8.914 -14.467 788 1HD LYS 38 1HD LYS 38 5.518 7.667 -16.506 789 2HD LYS 38 2HD LYS 38 3.999 6.753 -16.360 790 1HE LYS 38 1HE LYS 38 2.683 8.837 -16.617 791 2HE LYS 38 2HE LYS 38 4.176 9.785 -16.748 792 1HZ LYS 38 1HZ LYS 38 4.690 8.593 -18.739 793 2HZ LYS 38 2HZ LYS 38 3.341 7.655 -18.593 794 3HZ LYS 38 3HZ LYS 38 3.194 9.273 -18.870 795 H HIS 39 H HIS 39 2.864 5.421 -12.039 796 HA HIS 39 HA HIS 39 0.647 7.212 -12.254 797 1HB HIS 39 1HB HIS 39 0.994 4.402 -11.183 798 2HB HIS 39 2HB HIS 39 -0.505 5.267 -10.891 799 HD1 HIS 39 HD1 HIS 39 -1.080 6.690 -13.538 800 HD2 HIS 39 HD2 HIS 39 0.609 2.843 -13.288 801 HE1 HIS 39 HE1 HIS 39 -1.588 5.530 -15.772 802 HE2 HIS 39 HE2 HIS 39 -0.492 3.208 -15.627 803 H ILE 40 H ILE 40 2.484 6.176 -9.418 804 HA ILE 40 HA ILE 40 0.806 7.518 -7.507 805 HB ILE 40 HB ILE 40 3.710 6.643 -7.364 806 1HG1 ILE 40 1HG1 ILE 40 1.280 5.247 -6.217 807 2HG1 ILE 40 2HG1 ILE 40 1.723 4.900 -7.836 808 1HG2 ILE 40 1HG2 ILE 40 3.162 8.281 -5.572 809 2HG2 ILE 40 2HG2 ILE 40 1.719 7.347 -5.149 810 3HG2 ILE 40 3HG2 ILE 40 3.340 6.669 -4.891 811 1HD1 ILE 40 1HD1 ILE 40 3.973 4.225 -7.265 812 2HD1 ILE 40 2HD1 ILE 40 3.698 4.527 -5.553 813 3HD1 ILE 40 3HD1 ILE 40 2.783 3.250 -6.395 814 H GLU 41 H GLU 41 3.783 8.410 -9.271 815 HA GLU 41 HA GLU 41 4.301 10.934 -8.229 816 1HB GLU 41 1HB GLU 41 5.616 9.648 -10.030 817 2HB GLU 41 2HB GLU 41 4.415 10.252 -11.184 818 1HG GLU 41 1HG GLU 41 5.119 12.592 -9.982 819 2HG GLU 41 2HG GLU 41 6.620 11.679 -9.806 820 H TRP 42 H TRP 42 1.765 9.945 -10.597 821 HA TRP 42 HA TRP 42 0.962 12.460 -11.400 822 1HB TRP 42 1HB TRP 42 0.219 10.065 -12.049 823 2HB TRP 42 2HB TRP 42 -1.036 10.285 -10.836 824 HD1 TRP 42 HD1 TRP 42 0.222 11.798 -14.083 825 HE1 TRP 42 HE1 TRP 42 -1.613 13.212 -15.205 826 HE3 TRP 42 HE3 TRP 42 -3.032 11.638 -10.313 827 HZ2 TRP 42 HZ2 TRP 42 -4.240 14.291 -14.363 828 HZ3 TRP 42 HZ3 TRP 42 -5.167 12.977 -10.355 829 HH2 TRP 42 HH2 TRP 42 -5.755 14.303 -12.390 830 H LEU 43 H LEU 43 0.293 10.774 -8.406 831 HA LEU 43 HA LEU 43 -1.697 12.670 -7.409 832 1HB LEU 43 1HB LEU 43 -0.301 10.344 -6.039 833 2HB LEU 43 2HB LEU 43 -1.472 11.407 -5.293 834 HG LEU 43 HG LEU 43 -2.774 10.586 -7.656 835 1HD1 LEU 43 1HD1 LEU 43 -1.176 8.760 -7.975 836 2HD1 LEU 43 2HD1 LEU 43 -1.386 8.221 -6.305 837 3HD1 LEU 43 3HD1 LEU 43 -2.729 8.092 -7.446 838 1HD2 LEU 43 1HD2 LEU 43 -2.898 9.729 -4.753 839 2HD2 LEU 43 2HD2 LEU 43 -3.893 10.971 -5.520 840 3HD2 LEU 43 3HD2 LEU 43 -4.149 9.262 -5.932 841 H GLU 44 H GLU 44 1.668 12.979 -7.750 842 HA GLU 44 HA GLU 44 1.799 14.751 -5.404 843 1HB GLU 44 1HB GLU 44 4.010 14.326 -5.215 844 2HB GLU 44 2HB GLU 44 3.576 12.836 -6.060 845 1HG GLU 44 1HG GLU 44 4.174 14.085 -8.238 846 2HG GLU 44 2HG GLU 44 4.721 15.396 -7.217 847 H THR 45 H THR 45 1.726 14.680 -8.831 848 HA THR 45 HA THR 45 2.628 17.386 -9.267 849 HB THR 45 HB THR 45 1.134 16.625 -11.435 850 HG1 THR 45 HG1 THR 45 0.547 14.648 -10.515 851 1HG2 THR 45 1HG2 THR 45 3.571 17.151 -11.548 852 2HG2 THR 45 2HG2 THR 45 3.917 15.545 -10.837 853 3HG2 THR 45 3HG2 THR 45 3.173 15.666 -12.442 854 H ILE 46 H ILE 46 -0.480 15.737 -9.237 855 HA ILE 46 HA ILE 46 -2.415 17.405 -9.792 856 HB ILE 46 HB ILE 46 -2.731 15.201 -8.876 857 1HG1 ILE 46 1HG1 ILE 46 -4.668 15.516 -7.381 858 2HG1 ILE 46 2HG1 ILE 46 -4.276 17.231 -7.197 859 1HG2 ILE 46 1HG2 ILE 46 -0.986 15.377 -7.083 860 2HG2 ILE 46 2HG2 ILE 46 -2.153 16.227 -6.071 861 3HG2 ILE 46 3HG2 ILE 46 -2.494 14.584 -6.600 862 1HD1 ILE 46 1HD1 ILE 46 -4.620 17.593 -9.607 863 2HD1 ILE 46 2HD1 ILE 46 -4.814 15.842 -9.862 864 3HD1 ILE 46 3HD1 ILE 46 -6.028 16.753 -8.934 865 H LEU 47 H LEU 47 -2.745 19.533 -9.532 866 HA LEU 47 HA LEU 47 -2.100 20.818 -6.916 867 1HB LEU 47 1HB LEU 47 -1.074 21.522 -9.312 868 2HB LEU 47 2HB LEU 47 -2.618 22.367 -9.437 869 HG LEU 47 HG LEU 47 -2.004 23.348 -7.077 870 1HD1 LEU 47 1HD1 LEU 47 -0.092 21.757 -6.633 871 2HD1 LEU 47 2HD1 LEU 47 0.761 22.437 -8.026 872 3HD1 LEU 47 3HD1 LEU 47 0.421 23.450 -6.611 873 1HD2 LEU 47 1HD2 LEU 47 -0.377 24.092 -9.548 874 2HD2 LEU 47 2HD2 LEU 47 -2.003 24.686 -9.141 875 3HD2 LEU 47 3HD2 LEU 47 -0.621 25.120 -8.119 876 H GLY 48 H GLY 48 -3.757 22.055 -5.936 877 1HA GLY 48 1HA GLY 48 -5.854 23.012 -5.680 878 2HA GLY 48 2HA GLY 48 -6.324 22.479 -7.298 879 1HN NH2 49 1HN NH2 49 -6.156 19.780 -7.339 880 2HN NH2 49 2HN NH2 49 -7.153 19.049 -6.053 Start of MODEL 7 1 1H ACE 0 H1 ACE 0 -7.860 16.640 5.992 2 2H ACE 0 H2 ACE 0 -7.107 17.131 4.460 3 3H ACE 0 H3 ACE 0 -8.285 15.798 4.487 4 H ASP 1 H ASP 1 -7.677 13.921 5.936 5 HA ASP 1 HA ASP 1 -5.015 13.698 6.896 6 1HB ASP 1 1HB ASP 1 -7.468 12.305 7.230 7 2HB ASP 1 2HB ASP 1 -6.349 11.092 6.635 8 H TYR 2 H TYR 2 -5.889 13.505 3.754 9 HA TYR 2 HA TYR 2 -5.262 11.544 2.259 10 1HB TYR 2 1HB TYR 2 -3.948 14.264 2.021 11 2HB TYR 2 2HB TYR 2 -4.187 13.084 0.741 12 HD1 TYR 2 HD1 TYR 2 -6.657 12.213 0.378 13 HD2 TYR 2 HD2 TYR 2 -5.637 15.928 2.316 14 HE1 TYR 2 HE1 TYR 2 -8.955 13.027 0.013 15 HE2 TYR 2 HE2 TYR 2 -7.987 16.676 2.081 16 HH TYR 2 HH TYR 2 -10.464 14.729 0.408 17 H LEU 3 H LEU 3 -2.499 13.345 3.670 18 HA LEU 3 HA LEU 3 -0.548 11.648 2.524 19 1HB LEU 3 1HB LEU 3 -0.508 13.297 5.104 20 2HB LEU 3 2HB LEU 3 0.948 12.586 4.405 21 HG LEU 3 HG LEU 3 -0.788 14.503 2.787 22 1HD1 LEU 3 1HD1 LEU 3 -0.236 15.667 4.869 23 2HD1 LEU 3 2HD1 LEU 3 1.477 15.231 4.685 24 3HD1 LEU 3 3HD1 LEU 3 0.703 16.326 3.519 25 1HD2 LEU 3 1HD2 LEU 3 2.180 13.790 2.685 26 2HD2 LEU 3 2HD2 LEU 3 0.941 13.172 1.574 27 3HD2 LEU 3 3HD2 LEU 3 1.328 14.899 1.593 28 H ARG 4 H ARG 4 -1.972 11.436 5.793 29 HA ARG 4 HA ARG 4 -0.542 8.907 6.283 30 1HB ARG 4 1HB ARG 4 -2.610 10.452 7.881 31 2HB ARG 4 2HB ARG 4 -1.876 8.927 8.395 32 1HG ARG 4 1HG ARG 4 0.384 9.933 8.246 33 2HG ARG 4 2HG ARG 4 -0.327 11.499 7.821 34 1HD ARG 4 1HD ARG 4 -0.885 9.964 10.403 35 2HD ARG 4 2HD ARG 4 0.291 11.285 10.219 36 HE ARG 4 HE ARG 4 -2.346 12.061 9.311 37 1HH1 ARG 4 1HH2 ARG 4 -0.497 11.466 12.247 38 2HH1 ARG 4 2HH2 ARG 4 -1.308 12.685 13.194 39 1HH2 ARG 4 1HH1 ARG 4 -3.411 13.658 10.489 40 2HH2 ARG 4 2HH1 ARG 4 -3.014 13.984 12.157 41 H GLU 5 H GLU 5 -2.967 9.580 4.180 42 HA GLU 5 HA GLU 5 -4.520 7.095 4.866 43 1HB GLU 5 1HB GLU 5 -5.253 9.605 3.384 44 2HB GLU 5 2HB GLU 5 -5.973 8.073 2.878 45 1HG GLU 5 1HG GLU 5 -5.985 8.960 5.786 46 2HG GLU 5 2HG GLU 5 -7.258 9.433 4.644 47 H LEU 6 H LEU 6 -3.295 8.767 1.883 48 HA LEU 6 HA LEU 6 -3.248 6.497 0.258 49 1HB LEU 6 1HB LEU 6 -1.489 8.957 0.392 50 2HB LEU 6 2HB LEU 6 -1.253 7.708 -0.826 51 HG LEU 6 HG LEU 6 -3.379 8.210 -1.930 52 1HD1 LEU 6 1HD1 LEU 6 -4.755 8.565 0.152 53 2HD1 LEU 6 2HD1 LEU 6 -4.103 10.229 0.168 54 3HD1 LEU 6 3HD1 LEU 6 -5.017 9.591 -1.220 55 1HD2 LEU 6 1HD2 LEU 6 -2.066 10.811 -1.157 56 2HD2 LEU 6 2HD2 LEU 6 -1.351 9.623 -2.267 57 3HD2 LEU 6 3HD2 LEU 6 -2.883 10.378 -2.677 58 H LEU 7 H LEU 7 -0.953 7.480 2.783 59 HA LEU 7 HA LEU 7 1.180 5.795 1.939 60 1HB LEU 7 1HB LEU 7 1.675 7.787 3.197 61 2HB LEU 7 2HB LEU 7 0.593 7.300 4.510 62 HG LEU 7 HG LEU 7 2.078 5.488 5.170 63 1HD1 LEU 7 1HD1 LEU 7 3.044 4.829 3.010 64 2HD1 LEU 7 2HD1 LEU 7 3.868 6.399 2.868 65 3HD1 LEU 7 3HD1 LEU 7 4.328 5.249 4.143 66 1HD2 LEU 7 1HD2 LEU 7 3.584 8.106 4.782 67 2HD2 LEU 7 2HD2 LEU 7 2.430 7.755 6.088 68 3HD2 LEU 7 3HD2 LEU 7 3.947 6.844 5.979 69 H LYS 8 H LYS 8 -1.273 5.695 4.496 70 HA LYS 8 HA LYS 8 -0.438 3.297 5.712 71 1HB LYS 8 1HB LYS 8 -1.632 4.983 6.948 72 2HB LYS 8 2HB LYS 8 -2.970 4.981 5.786 73 1HG LYS 8 1HG LYS 8 -3.782 2.888 6.519 74 2HG LYS 8 2HG LYS 8 -2.336 2.556 7.497 75 1HD LYS 8 1HD LYS 8 -2.859 4.223 9.092 76 2HD LYS 8 2HD LYS 8 -3.976 5.069 8.018 77 1HE LYS 8 1HE LYS 8 -4.537 2.265 9.090 78 2HE LYS 8 2HE LYS 8 -5.056 3.753 9.903 79 1HZ LYS 8 1HZ LYS 8 -6.261 4.367 7.949 80 2HZ LYS 8 2HZ LYS 8 -5.812 2.986 7.175 81 3HZ LYS 8 3HZ LYS 8 -6.774 2.907 8.511 82 H LEU 9 H LEU 9 -2.661 4.256 3.183 83 HA LEU 9 HA LEU 9 -3.999 1.663 2.945 84 1HB LEU 9 1HB LEU 9 -3.815 4.067 1.106 85 2HB LEU 9 2HB LEU 9 -4.741 2.605 0.758 86 HG LEU 9 HG LEU 9 -5.237 4.199 3.298 87 1HD1 LEU 9 1HD1 LEU 9 -5.567 5.699 1.347 88 2HD1 LEU 9 2HD1 LEU 9 -6.657 4.502 0.618 89 3HD1 LEU 9 3HD1 LEU 9 -7.097 5.299 2.142 90 1HD2 LEU 9 1HD2 LEU 9 -6.959 2.234 1.725 91 2HD2 LEU 9 2HD2 LEU 9 -6.170 1.904 3.280 92 3HD2 LEU 9 3HD2 LEU 9 -7.452 3.114 3.184 93 H GLU 10 H GLU 10 -1.301 3.309 1.280 94 HA GLU 10 HA GLU 10 -0.655 1.190 -0.583 95 1HB GLU 10 1HB GLU 10 0.918 3.413 0.674 96 2HB GLU 10 2HB GLU 10 1.604 2.160 -0.355 97 1HG GLU 10 1HG GLU 10 -0.644 4.002 -1.188 98 2HG GLU 10 2HG GLU 10 1.071 4.171 -1.625 99 H LEU 11 H LEU 11 0.448 1.837 2.785 100 HA LEU 11 HA LEU 11 2.330 -0.215 2.878 101 1HB LEU 11 1HB LEU 11 1.401 1.666 4.676 102 2HB LEU 11 2HB LEU 11 0.726 0.206 5.377 103 HG LEU 11 HG LEU 11 2.816 0.677 6.411 104 1HD1 LEU 11 1HD1 LEU 11 2.401 -1.733 5.885 105 2HD1 LEU 11 2HD1 LEU 11 3.431 -1.568 4.444 106 3HD1 LEU 11 3HD1 LEU 11 4.117 -1.319 6.054 107 1HD2 LEU 11 1HD2 LEU 11 4.166 0.758 3.676 108 2HD2 LEU 11 2HD2 LEU 11 3.756 2.164 4.676 109 3HD2 LEU 11 3HD2 LEU 11 4.934 0.976 5.255 110 H GLN 12 H GLN 12 -1.188 -0.389 3.408 111 HA GLN 12 HA GLN 12 -1.258 -3.136 4.229 112 1HB GLN 12 1HB GLN 12 -3.344 -1.310 3.009 113 2HB GLN 12 2HB GLN 12 -3.680 -2.975 3.491 114 1HG GLN 12 1HG GLN 12 -3.208 -2.574 5.774 115 2HG GLN 12 2HG GLN 12 -2.407 -1.032 5.451 116 1HE2 GLN 12 2HE2 GLN 12 -3.651 0.814 4.920 117 2HE2 GLN 12 1HE2 GLN 12 -5.387 0.875 5.265 118 H LEU 13 H LEU 13 -0.689 -1.768 1.049 119 HA LEU 13 HA LEU 13 -1.522 -4.127 -0.441 120 1HB LEU 13 1HB LEU 13 0.476 -1.971 -1.281 121 2HB LEU 13 2HB LEU 13 -0.244 -3.238 -2.248 122 HG LEU 13 HG LEU 13 -1.549 -0.738 -1.173 123 1HD1 LEU 13 1HD1 LEU 13 -0.315 -0.595 -3.292 124 2HD1 LEU 13 2HD1 LEU 13 -1.149 -2.000 -3.934 125 3HD1 LEU 13 3HD1 LEU 13 -2.048 -0.504 -3.660 126 1HD2 LEU 13 1HD2 LEU 13 -2.945 -3.175 -2.293 127 2HD2 LEU 13 2HD2 LEU 13 -3.207 -2.423 -0.708 128 3HD2 LEU 13 3HD2 LEU 13 -3.688 -1.569 -2.178 129 H ILE 14 H ILE 14 1.583 -2.679 0.682 130 HA ILE 14 HA ILE 14 3.180 -4.964 -0.109 131 HB ILE 14 HB ILE 14 3.598 -2.561 1.697 132 1HG1 ILE 14 1HG1 ILE 14 5.233 -1.941 0.023 133 2HG1 ILE 14 2HG1 ILE 14 5.116 -3.507 -0.786 134 1HG2 ILE 14 1HG2 ILE 14 4.977 -4.302 2.773 135 2HG2 ILE 14 2HG2 ILE 14 5.674 -4.742 1.195 136 3HG2 ILE 14 3HG2 ILE 14 5.990 -3.152 1.893 137 1HD1 ILE 14 1HD1 ILE 14 2.887 -2.958 -1.618 138 2HD1 ILE 14 2HD1 ILE 14 2.858 -1.482 -0.627 139 3HD1 ILE 14 3HD1 ILE 14 4.007 -1.660 -1.972 140 H LYS 15 H LYS 15 1.314 -4.249 2.860 141 HA LYS 15 HA LYS 15 2.303 -6.558 4.231 142 1HB LYS 15 1HB LYS 15 0.699 -4.394 4.902 143 2HB LYS 15 2HB LYS 15 -0.484 -5.686 4.786 144 1HG LYS 15 1HG LYS 15 0.243 -5.576 7.041 145 2HG LYS 15 2HG LYS 15 1.001 -7.030 6.372 146 1HD LYS 15 1HD LYS 15 3.148 -5.769 6.084 147 2HD LYS 15 2HD LYS 15 2.350 -4.279 6.606 148 1HE LYS 15 1HE LYS 15 1.965 -5.235 8.845 149 2HE LYS 15 2HE LYS 15 2.670 -6.781 8.332 150 1HZ LYS 15 1HZ LYS 15 4.739 -5.653 7.968 151 2HZ LYS 15 2HZ LYS 15 4.089 -4.210 8.422 152 3HZ LYS 15 3HZ LYS 15 4.232 -5.429 9.521 153 H GLN 16 H GLN 16 -0.595 -6.011 2.130 154 HA GLN 16 HA GLN 16 -1.482 -8.744 2.501 155 1HB GLN 16 1HB GLN 16 -2.362 -6.437 0.804 156 2HB GLN 16 2HB GLN 16 -2.692 -8.040 0.175 157 1HG GLN 16 1HG GLN 16 -4.590 -7.358 1.403 158 2HG GLN 16 2HG GLN 16 -3.835 -8.717 2.231 159 1HE2 GLN 16 2HE2 GLN 16 -5.636 -6.305 3.052 160 2HE2 GLN 16 1HE2 GLN 16 -4.827 -5.721 4.499 161 H TYR 17 H TYR 17 0.645 -7.205 0.195 162 HA TYR 17 HA TYR 17 0.857 -9.366 -1.677 163 1HB TYR 17 1HB TYR 17 2.616 -7.022 -0.825 164 2HB TYR 17 2HB TYR 17 3.177 -8.121 -2.030 165 HD1 TYR 17 HD1 TYR 17 2.790 -5.101 -2.205 166 HD2 TYR 17 HD2 TYR 17 0.574 -8.484 -3.662 167 HE1 TYR 17 HE1 TYR 17 2.226 -3.848 -4.225 168 HE2 TYR 17 HE2 TYR 17 0.155 -7.291 -5.767 169 HH TYR 17 HH TYR 17 0.736 -5.420 -7.054 170 H ARG 18 H ARG 18 2.420 -8.616 1.393 171 HA ARG 18 HA ARG 18 4.471 -10.699 1.066 172 1HB ARG 18 1HB ARG 18 3.598 -9.019 3.436 173 2HB ARG 18 2HB ARG 18 4.775 -10.344 3.553 174 1HG ARG 18 1HG ARG 18 6.278 -9.262 1.974 175 2HG ARG 18 2HG ARG 18 5.106 -7.985 1.665 176 1HD ARG 18 1HD ARG 18 6.706 -7.077 3.158 177 2HD ARG 18 2HD ARG 18 5.259 -7.322 4.116 178 HE ARG 18 HE ARG 18 7.863 -8.731 4.236 179 1HH1 ARG 18 1HH2 ARG 18 4.527 -8.764 5.389 180 2HH1 ARG 18 2HH2 ARG 18 4.869 -9.730 6.798 181 1HH2 ARG 18 1HH1 ARG 18 8.331 -9.995 6.035 182 2HH2 ARG 18 2HH1 ARG 18 7.092 -10.459 7.165 183 H GLU 19 H GLU 19 1.471 -10.213 2.805 184 HA GLU 19 HA GLU 19 1.134 -12.720 3.998 185 1HB GLU 19 1HB GLU 19 -0.319 -10.651 4.254 186 2HB GLU 19 2HB GLU 19 -1.075 -11.097 2.716 187 1HG GLU 19 1HG GLU 19 -1.835 -13.227 3.678 188 2HG GLU 19 2HG GLU 19 -1.007 -12.847 5.200 189 H ALA 20 H ALA 20 0.229 -11.676 0.630 190 HA ALA 20 HA ALA 20 -0.629 -14.454 0.120 191 1HB ALA 20 1HB ALA 20 -2.065 -12.891 -0.737 192 2HB ALA 20 2HB ALA 20 -0.754 -11.918 -1.421 193 3HB ALA 20 3HB ALA 20 -1.191 -13.479 -2.164 194 H LEU 21 H LEU 21 2.400 -12.788 -0.184 195 HA LEU 21 HA LEU 21 3.506 -13.838 -2.433 196 1HB LEU 21 1HB LEU 21 4.630 -12.312 -0.779 197 2HB LEU 21 2HB LEU 21 4.902 -13.708 0.267 198 HG LEU 21 HG LEU 21 6.345 -14.726 -1.509 199 1HD1 LEU 21 1HD1 LEU 21 5.418 -13.617 -3.549 200 2HD1 LEU 21 2HD1 LEU 21 5.953 -12.042 -2.899 201 3HD1 LEU 21 3HD1 LEU 21 7.138 -13.267 -3.375 202 1HD2 LEU 21 1HD2 LEU 21 7.104 -11.873 -0.729 203 2HD2 LEU 21 2HD2 LEU 21 7.335 -13.320 0.279 204 3HD2 LEU 21 3HD2 LEU 21 8.225 -13.146 -1.246 205 H GLU 22 H GLU 22 2.879 -15.605 0.557 206 HA GLU 22 HA GLU 22 4.263 -18.025 -0.306 207 1HB GLU 22 1HB GLU 22 2.595 -17.257 2.117 208 2HB GLU 22 2HB GLU 22 3.054 -18.936 1.813 209 1HG GLU 22 1HG GLU 22 5.146 -16.726 1.909 210 2HG GLU 22 2HG GLU 22 4.599 -17.597 3.347 211 H TYR 23 H TYR 23 0.958 -16.760 -0.292 212 HA TYR 23 HA TYR 23 -0.356 -19.254 -0.920 213 1HB TYR 23 1HB TYR 23 -1.075 -16.420 -0.746 214 2HB TYR 23 2HB TYR 23 -1.723 -17.118 -2.208 215 HD1 TYR 23 HD1 TYR 23 -3.152 -19.223 -2.062 216 HD2 TYR 23 HD2 TYR 23 -2.125 -16.834 1.377 217 HE1 TYR 23 HE1 TYR 23 -5.159 -20.071 -0.865 218 HE2 TYR 23 HE2 TYR 23 -4.119 -17.683 2.565 219 HH TYR 23 HH TYR 23 -6.035 -18.944 2.405 220 H VAL 24 H VAL 24 1.254 -16.702 -2.787 221 HA VAL 24 HA VAL 24 0.524 -18.067 -5.321 222 HB VAL 24 HB VAL 24 2.029 -15.460 -4.979 223 1HG1 VAL 24 1HG1 VAL 24 2.138 -16.526 -7.255 224 2HG1 VAL 24 2HG1 VAL 24 0.373 -16.629 -7.277 225 3HG1 VAL 24 3HG1 VAL 24 1.174 -15.047 -7.276 226 1HG2 VAL 24 1HG2 VAL 24 -0.949 -16.058 -5.210 227 2HG2 VAL 24 2HG2 VAL 24 -0.164 -15.204 -3.878 228 3HG2 VAL 24 3HG2 VAL 24 -0.251 -14.443 -5.465 229 H LYS 25 H LYS 25 3.423 -17.540 -3.362 230 HA LYS 25 HA LYS 25 5.578 -18.128 -3.560 231 1HB LYS 25 1HB LYS 25 4.506 -20.474 -5.163 232 2HB LYS 25 2HB LYS 25 6.126 -20.319 -4.474 233 1HG LYS 25 1HG LYS 25 4.980 -20.009 -2.185 234 2HG LYS 25 2HG LYS 25 3.500 -20.597 -2.957 235 1HD LYS 25 1HD LYS 25 6.173 -22.078 -3.010 236 2HD LYS 25 2HD LYS 25 4.950 -22.349 -1.765 237 1HE LYS 25 1HE LYS 25 3.456 -23.394 -3.204 238 2HE LYS 25 2HE LYS 25 4.064 -22.582 -4.648 239 1HZ LYS 25 1HZ LYS 25 6.003 -23.899 -4.582 240 2HZ LYS 25 2HZ LYS 25 5.527 -24.663 -3.200 241 3HZ LYS 25 3HZ LYS 25 4.676 -24.871 -4.598 242 H LEU 26 H LEU 26 5.332 -16.065 -5.034 243 HA LEU 26 HA LEU 26 6.525 -16.698 -7.711 244 1HB LEU 26 1HB LEU 26 4.203 -16.152 -7.942 245 2HB LEU 26 2HB LEU 26 4.403 -14.700 -6.960 246 HG LEU 26 HG LEU 26 6.109 -13.963 -8.803 247 1HD1 LEU 26 1HD1 LEU 26 6.245 -16.170 -9.975 248 2HD1 LEU 26 2HD1 LEU 26 4.517 -16.052 -10.354 249 3HD1 LEU 26 3HD1 LEU 26 5.660 -14.888 -11.046 250 1HD2 LEU 26 1HD2 LEU 26 3.153 -14.114 -9.444 251 2HD2 LEU 26 2HD2 LEU 26 3.927 -12.905 -8.399 252 3HD2 LEU 26 3HD2 LEU 26 4.349 -12.970 -10.107 253 HA PRO 27 HA PRO 27 9.534 -13.812 -5.885 254 1HB PRO 27 1HB PRO 27 11.485 -13.903 -7.795 255 2HB PRO 27 2HB PRO 27 11.225 -15.187 -6.583 256 1HG PRO 27 1HG PRO 27 10.227 -15.127 -9.440 257 2HG PRO 27 2HG PRO 27 11.050 -16.469 -8.593 258 1HD PRO 27 1HD PRO 27 8.351 -16.361 -8.855 259 2HD PRO 27 2HD PRO 27 9.087 -17.002 -7.358 260 H VAL 28 H VAL 28 8.237 -13.621 -9.247 261 HA VAL 28 HA VAL 28 8.817 -10.895 -9.742 262 HB VAL 28 HB VAL 28 6.623 -12.710 -10.597 263 1HG1 VAL 28 1HG1 VAL 28 5.385 -10.624 -10.372 264 2HG1 VAL 28 2HG1 VAL 28 6.705 -9.721 -11.158 265 3HG1 VAL 28 3HG1 VAL 28 5.739 -10.888 -12.076 266 1HG2 VAL 28 1HG2 VAL 28 8.626 -11.061 -12.171 267 2HG2 VAL 28 2HG2 VAL 28 8.830 -12.780 -11.745 268 3HG2 VAL 28 3HG2 VAL 28 7.510 -12.274 -12.819 269 H LEU 29 H LEU 29 6.505 -12.349 -7.456 270 HA LEU 29 HA LEU 29 4.989 -9.918 -7.085 271 1HB LEU 29 1HB LEU 29 4.813 -12.619 -6.155 272 2HB LEU 29 2HB LEU 29 4.916 -11.585 -4.734 273 HG LEU 29 HG LEU 29 2.981 -11.005 -6.988 274 1HD1 LEU 29 1HD1 LEU 29 2.521 -13.283 -6.241 275 2HD1 LEU 29 2HD1 LEU 29 2.540 -12.771 -4.541 276 3HD1 LEU 29 3HD1 LEU 29 1.267 -12.191 -5.636 277 1HD2 LEU 29 1HD2 LEU 29 2.951 -10.325 -4.003 278 2HD2 LEU 29 2HD2 LEU 29 3.451 -9.201 -5.285 279 3HD2 LEU 29 3HD2 LEU 29 1.783 -9.798 -5.230 280 H ALA 30 H ALA 30 7.560 -11.546 -5.150 281 HA ALA 30 HA ALA 30 8.458 -9.362 -3.580 282 1HB ALA 30 1HB ALA 30 9.424 -11.651 -3.490 283 2HB ALA 30 2HB ALA 30 10.347 -11.248 -4.956 284 3HB ALA 30 3HB ALA 30 10.579 -10.309 -3.480 285 H LYS 31 H LYS 31 9.251 -9.669 -6.977 286 HA LYS 31 HA LYS 31 10.727 -7.133 -6.632 287 1HB LYS 31 1HB LYS 31 10.147 -8.885 -8.989 288 2HB LYS 31 2HB LYS 31 10.709 -7.224 -9.248 289 1HG LYS 31 1HG LYS 31 12.710 -7.502 -8.108 290 2HG LYS 31 2HG LYS 31 12.171 -8.914 -7.198 291 1HD LYS 31 1HD LYS 31 12.428 -9.052 -10.215 292 2HD LYS 31 2HD LYS 31 13.855 -9.242 -9.175 293 1HE LYS 31 1HE LYS 31 12.877 -11.109 -7.983 294 2HE LYS 31 2HE LYS 31 11.314 -10.883 -8.783 295 1HZ LYS 31 1HZ LYS 31 12.308 -11.465 -10.841 296 2HZ LYS 31 2HZ LYS 31 13.798 -11.624 -10.150 297 3HZ LYS 31 3HZ LYS 31 12.583 -12.659 -9.738 298 H ILE 32 H ILE 32 7.380 -7.851 -7.452 299 HA ILE 32 HA ILE 32 6.858 -5.161 -8.491 300 HB ILE 32 HB ILE 32 5.140 -7.483 -7.525 301 1HG1 ILE 32 1HG1 ILE 32 5.355 -6.077 -10.228 302 2HG1 ILE 32 2HG1 ILE 32 6.266 -7.520 -9.791 303 1HG2 ILE 32 1HG2 ILE 32 3.926 -5.543 -6.773 304 2HG2 ILE 32 2HG2 ILE 32 4.250 -4.689 -8.288 305 3HG2 ILE 32 3HG2 ILE 32 3.151 -6.084 -8.251 306 1HD1 ILE 32 1HD1 ILE 32 4.083 -8.719 -9.378 307 2HD1 ILE 32 2HD1 ILE 32 3.244 -7.314 -10.079 308 3HD1 ILE 32 3HD1 ILE 32 4.386 -8.238 -11.060 309 H LEU 33 H LEU 33 6.749 -6.923 -5.390 310 HA LEU 33 HA LEU 33 5.282 -4.849 -4.081 311 1HB LEU 33 1HB LEU 33 4.937 -6.385 -2.527 312 2HB LEU 33 2HB LEU 33 5.450 -7.455 -3.817 313 HG LEU 33 HG LEU 33 7.632 -7.645 -2.740 314 1HD1 LEU 33 1HD1 LEU 33 7.812 -5.692 -1.363 315 2HD1 LEU 33 2HD1 LEU 33 6.211 -6.016 -0.643 316 3HD1 LEU 33 3HD1 LEU 33 7.606 -7.082 -0.287 317 1HD2 LEU 33 1HD2 LEU 33 5.136 -8.184 -1.029 318 2HD2 LEU 33 2HD2 LEU 33 5.545 -9.157 -2.448 319 3HD2 LEU 33 3HD2 LEU 33 6.605 -9.167 -1.022 320 H GLU 34 H GLU 34 8.699 -5.824 -4.267 321 HA GLU 34 HA GLU 34 9.873 -3.867 -2.573 322 1HB GLU 34 1HB GLU 34 10.907 -5.886 -3.822 323 2HB GLU 34 2HB GLU 34 11.057 -4.819 -5.203 324 1HG GLU 34 1HG GLU 34 12.184 -4.190 -2.422 325 2HG GLU 34 2HG GLU 34 13.100 -5.016 -3.687 326 H ASP 35 H ASP 35 9.257 -3.748 -6.096 327 HA ASP 35 HA ASP 35 10.181 -1.127 -6.469 328 1HB ASP 35 1HB ASP 35 9.585 -2.773 -8.275 329 2HB ASP 35 2HB ASP 35 7.878 -2.384 -8.011 330 H GLU 36 H GLU 36 6.807 -2.194 -5.861 331 HA GLU 36 HA GLU 36 5.546 0.301 -5.620 332 1HB GLU 36 1HB GLU 36 5.078 -2.226 -3.997 333 2HB GLU 36 2HB GLU 36 4.015 -0.816 -4.054 334 1HG GLU 36 1HG GLU 36 4.602 -1.796 -6.764 335 2HG GLU 36 2HG GLU 36 3.928 -3.067 -5.744 336 H GLU 37 H GLU 37 7.401 -1.558 -3.038 337 HA GLU 37 HA GLU 37 6.825 0.129 -0.967 338 1HB GLU 37 1HB GLU 37 8.128 -2.199 -1.286 339 2HB GLU 37 2HB GLU 37 9.561 -1.189 -1.179 340 1HG GLU 37 1HG GLU 37 7.242 -1.080 0.781 341 2HG GLU 37 2HG GLU 37 8.467 -2.343 0.828 342 H LYS 38 H LYS 38 9.328 0.532 -3.491 343 HA LYS 38 HA LYS 38 10.476 2.878 -2.278 344 1HB LYS 38 1HB LYS 38 11.490 1.405 -4.128 345 2HB LYS 38 2HB LYS 38 10.353 2.175 -5.237 346 1HG LYS 38 1HG LYS 38 12.355 3.419 -5.500 347 2HG LYS 38 2HG LYS 38 11.338 4.437 -4.478 348 1HD LYS 38 1HD LYS 38 12.608 3.212 -2.474 349 2HD LYS 38 2HD LYS 38 13.760 2.762 -3.733 350 1HE LYS 38 1HE LYS 38 14.006 5.225 -4.284 351 2HE LYS 38 2HE LYS 38 12.878 5.591 -2.958 352 1HZ LYS 38 1HZ LYS 38 14.395 4.565 -1.444 353 2HZ LYS 38 2HZ LYS 38 15.463 4.241 -2.662 354 3HZ LYS 38 3HZ LYS 38 15.126 5.803 -2.251 355 H HIS 39 H HIS 39 7.882 2.503 -4.733 356 HA HIS 39 HA HIS 39 7.458 5.299 -5.180 357 1HB HIS 39 1HB HIS 39 5.585 2.895 -5.263 358 2HB HIS 39 2HB HIS 39 5.044 4.516 -5.603 359 HD1 HIS 39 HD1 HIS 39 6.455 5.758 -7.741 360 HD2 HIS 39 HD2 HIS 39 6.712 1.586 -7.225 361 HE1 HIS 39 HE1 HIS 39 7.349 4.799 -9.950 362 HE2 HIS 39 HE2 HIS 39 7.510 2.242 -9.601 363 H ILE 40 H ILE 40 6.219 3.086 -2.694 364 HA ILE 40 HA ILE 40 4.510 5.089 -1.547 365 HB ILE 40 HB ILE 40 5.535 2.462 -0.392 366 1HG1 ILE 40 1HG1 ILE 40 2.885 2.941 -1.803 367 2HG1 ILE 40 2HG1 ILE 40 4.235 2.454 -2.733 368 1HG2 ILE 40 1HG2 ILE 40 4.478 3.888 1.336 369 2HG2 ILE 40 2HG2 ILE 40 3.064 4.129 0.292 370 3HG2 ILE 40 3HG2 ILE 40 3.422 2.529 0.971 371 1HD1 ILE 40 1HD1 ILE 40 4.634 0.461 -1.459 372 2HD1 ILE 40 2HD1 ILE 40 3.278 0.790 -0.386 373 3HD1 ILE 40 3HD1 ILE 40 2.989 0.490 -2.115 374 H GLU 41 H GLU 41 7.805 3.926 -0.912 375 HA GLU 41 HA GLU 41 8.352 5.330 1.425 376 1HB GLU 41 1HB GLU 41 9.859 3.648 0.189 377 2HB GLU 41 2HB GLU 41 10.304 4.991 -0.879 378 1HG GLU 41 1HG GLU 41 10.707 6.086 1.637 379 2HG GLU 41 2HG GLU 41 11.110 4.389 1.902 380 H TRP 42 H TRP 42 8.221 6.465 -2.001 381 HA TRP 42 HA TRP 42 9.311 8.960 -1.739 382 1HB TRP 42 1HB TRP 42 8.209 7.710 -3.742 383 2HB TRP 42 2HB TRP 42 6.737 8.543 -3.245 384 HD1 TRP 42 HD1 TRP 42 10.179 9.195 -4.671 385 HE1 TRP 42 HE1 TRP 42 10.394 11.667 -5.411 386 HE3 TRP 42 HE3 TRP 42 5.787 10.849 -2.869 387 HZ2 TRP 42 HZ2 TRP 42 8.751 14.068 -5.270 388 HZ3 TRP 42 HZ3 TRP 42 5.075 13.252 -3.152 389 HH2 TRP 42 HH2 TRP 42 6.595 14.860 -4.291 390 H LEU 43 H LEU 43 6.015 7.930 -0.780 391 HA LEU 43 HA LEU 43 5.166 10.574 0.041 392 1HB LEU 43 1HB LEU 43 4.102 7.750 0.608 393 2HB LEU 43 2HB LEU 43 3.422 9.183 1.353 394 HG LEU 43 HG LEU 43 3.545 9.899 -1.338 395 1HD1 LEU 43 1HD1 LEU 43 4.054 7.542 -1.920 396 2HD1 LEU 43 2HD1 LEU 43 2.528 7.048 -1.150 397 3HD1 LEU 43 3HD1 LEU 43 2.517 8.121 -2.577 398 1HD2 LEU 43 1HD2 LEU 43 1.213 8.691 0.252 399 2HD2 LEU 43 2HD2 LEU 43 1.677 10.404 0.235 400 3HD2 LEU 43 3HD2 LEU 43 1.047 9.643 -1.235 401 H GLU 44 H GLU 44 6.853 7.928 1.734 402 HA GLU 44 HA GLU 44 6.325 9.297 4.264 403 1HB GLU 44 1HB GLU 44 6.904 7.391 5.360 404 2HB GLU 44 2HB GLU 44 6.317 6.740 3.820 405 1HG GLU 44 1HG GLU 44 8.751 6.735 3.073 406 2HG GLU 44 2HG GLU 44 9.183 7.177 4.728 407 H THR 45 H THR 45 8.854 9.174 1.977 408 HA THR 45 HA THR 45 10.840 10.351 3.828 409 HB THR 45 HB THR 45 11.162 8.499 1.999 410 HG1 THR 45 HG1 THR 45 13.278 8.937 2.109 411 1HG2 THR 45 1HG2 THR 45 10.474 9.777 0.015 412 2HG2 THR 45 2HG2 THR 45 11.812 10.923 0.297 413 3HG2 THR 45 3HG2 THR 45 12.145 9.225 -0.074 414 H ILE 46 H ILE 46 9.121 11.031 0.796 415 HA ILE 46 HA ILE 46 8.571 12.923 -0.269 416 HB ILE 46 HB ILE 46 6.803 12.443 1.116 417 1HG1 ILE 46 1HG1 ILE 46 5.599 14.439 1.499 418 2HG1 ILE 46 2HG1 ILE 46 7.046 15.438 1.449 419 1HG2 ILE 46 1HG2 ILE 46 7.726 12.093 3.247 420 2HG2 ILE 46 2HG2 ILE 46 8.180 13.800 3.426 421 3HG2 ILE 46 3HG2 ILE 46 6.468 13.289 3.417 422 1HD1 ILE 46 1HD1 ILE 46 7.408 14.788 -0.924 423 2HD1 ILE 46 2HD1 ILE 46 6.056 13.638 -0.814 424 3HD1 ILE 46 3HD1 ILE 46 5.752 15.386 -0.713 425 H LEU 47 H LEU 47 11.198 12.981 0.297 426 HA LEU 47 HA LEU 47 11.818 15.889 0.185 427 1HB LEU 47 1HB LEU 47 12.975 13.709 1.943 428 2HB LEU 47 2HB LEU 47 14.055 14.970 1.351 429 HG LEU 47 HG LEU 47 11.456 15.772 2.679 430 1HD1 LEU 47 1HD1 LEU 47 12.462 14.222 4.263 431 2HD1 LEU 47 2HD1 LEU 47 14.039 15.029 4.111 432 3HD1 LEU 47 3HD1 LEU 47 12.659 15.884 4.839 433 1HD2 LEU 47 1HD2 LEU 47 14.237 17.039 2.548 434 2HD2 LEU 47 2HD2 LEU 47 12.879 17.476 1.492 435 3HD2 LEU 47 3HD2 LEU 47 12.778 17.777 3.234 436 H GLY 48 H GLY 48 11.447 15.261 -2.085 437 1HA GLY 48 1HA GLY 48 12.453 15.008 -4.161 438 2HA GLY 48 2HA GLY 48 13.956 14.482 -3.391 439 1HN NH2 49 1HN NH2 49 12.663 10.981 -2.984 440 2HN NH2 49 2HN NH2 49 13.420 12.278 -2.025 441 1H ACE 0 H1 ACE 0 -7.898 -18.543 -6.158 442 2H ACE 0 H2 ACE 0 -8.351 -19.780 -4.965 443 3H ACE 0 H3 ACE 0 -6.701 -19.112 -4.975 444 H ASP 1 H ASP 1 -7.646 -18.929 -2.582 445 HA ASP 1 HA ASP 1 -9.493 -16.942 -1.862 446 1HB ASP 1 1HB ASP 1 -8.553 -18.554 -0.256 447 2HB ASP 1 2HB ASP 1 -6.952 -17.813 -0.428 448 H TYR 2 H TYR 2 -5.934 -16.624 -2.174 449 HA TYR 2 HA TYR 2 -5.516 -13.980 -1.656 450 1HB TYR 2 1HB TYR 2 -3.544 -14.228 -2.826 451 2HB TYR 2 2HB TYR 2 -3.887 -15.784 -2.115 452 HD1 TYR 2 HD1 TYR 2 -3.374 -13.905 -5.210 453 HD2 TYR 2 HD2 TYR 2 -4.536 -17.720 -3.565 454 HE1 TYR 2 HE1 TYR 2 -2.884 -14.984 -7.369 455 HE2 TYR 2 HE2 TYR 2 -4.080 -18.793 -5.748 456 HH TYR 2 HH TYR 2 -2.996 -16.930 -8.598 457 H LEU 3 H LEU 3 -6.644 -15.359 -4.708 458 HA LEU 3 HA LEU 3 -6.516 -12.984 -6.247 459 1HB LEU 3 1HB LEU 3 -7.694 -15.707 -6.555 460 2HB LEU 3 2HB LEU 3 -8.532 -14.478 -7.481 461 HG LEU 3 HG LEU 3 -5.531 -14.883 -7.637 462 1HD1 LEU 3 1HD1 LEU 3 -6.663 -16.971 -8.291 463 2HD1 LEU 3 2HD1 LEU 3 -7.732 -16.065 -9.384 464 3HD1 LEU 3 3HD1 LEU 3 -5.989 -16.162 -9.716 465 1HD2 LEU 3 1HD2 LEU 3 -7.541 -13.482 -9.461 466 2HD2 LEU 3 2HD2 LEU 3 -6.287 -12.697 -8.479 467 3HD2 LEU 3 3HD2 LEU 3 -5.824 -13.730 -9.835 468 H ARG 4 H ARG 4 -8.885 -13.714 -3.796 469 HA ARG 4 HA ARG 4 -10.925 -11.935 -4.903 470 1HB ARG 4 1HB ARG 4 -10.272 -12.988 -2.140 471 2HB ARG 4 2HB ARG 4 -11.455 -11.712 -2.347 472 1HG ARG 4 1HG ARG 4 -11.648 -14.363 -3.851 473 2HG ARG 4 2HG ARG 4 -12.343 -14.078 -2.250 474 1HD ARG 4 1HD ARG 4 -14.209 -13.430 -3.389 475 2HD ARG 4 2HD ARG 4 -13.375 -11.900 -3.493 476 HE ARG 4 HE ARG 4 -12.930 -12.207 -5.742 477 1HH1 ARG 4 1HH2 ARG 4 -14.231 -15.188 -4.402 478 2HH1 ARG 4 2HH2 ARG 4 -14.803 -15.814 -5.925 479 1HH2 ARG 4 1HH1 ARG 4 -13.592 -13.013 -7.756 480 2HH2 ARG 4 2HH1 ARG 4 -14.394 -14.554 -7.891 481 H GLU 5 H GLU 5 -7.832 -11.528 -3.359 482 HA GLU 5 HA GLU 5 -8.200 -8.576 -3.185 483 1HB GLU 5 1HB GLU 5 -6.577 -10.404 -1.355 484 2HB GLU 5 2HB GLU 5 -6.563 -8.630 -1.313 485 1HG GLU 5 1HG GLU 5 -9.004 -8.622 -0.818 486 2HG GLU 5 2HG GLU 5 -8.997 -10.392 -0.793 487 H LEU 6 H LEU 6 -5.375 -8.177 -2.823 488 HA LEU 6 HA LEU 6 -3.671 -7.641 -4.227 489 1HB LEU 6 1HB LEU 6 -3.914 -10.549 -5.064 490 2HB LEU 6 2HB LEU 6 -2.632 -9.427 -5.481 491 HG LEU 6 HG LEU 6 -2.365 -9.168 -2.788 492 1HD1 LEU 6 1HD1 LEU 6 -4.405 -10.583 -2.367 493 2HD1 LEU 6 2HD1 LEU 6 -3.481 -11.954 -2.989 494 3HD1 LEU 6 3HD1 LEU 6 -2.926 -11.040 -1.556 495 1HD2 LEU 6 1HD2 LEU 6 -1.408 -11.699 -4.162 496 2HD2 LEU 6 2HD2 LEU 6 -0.793 -10.116 -4.657 497 3HD2 LEU 6 3HD2 LEU 6 -0.551 -10.636 -3.017 498 H LEU 7 H LEU 7 -6.061 -6.751 -5.082 499 HA LEU 7 HA LEU 7 -5.487 -5.794 -7.550 500 1HB LEU 7 1HB LEU 7 -7.386 -6.691 -8.931 501 2HB LEU 7 2HB LEU 7 -5.916 -7.644 -8.840 502 HG LEU 7 HG LEU 7 -7.671 -8.672 -6.805 503 1HD1 LEU 7 1HD1 LEU 7 -9.540 -7.530 -8.010 504 2HD1 LEU 7 2HD1 LEU 7 -9.066 -8.383 -9.494 505 3HD1 LEU 7 3HD1 LEU 7 -9.640 -9.298 -8.085 506 1HD2 LEU 7 1HD2 LEU 7 -6.913 -9.716 -9.571 507 2HD2 LEU 7 2HD2 LEU 7 -6.020 -9.994 -8.062 508 3HD2 LEU 7 3HD2 LEU 7 -7.635 -10.677 -8.269 509 H LYS 8 H LYS 8 -8.525 -6.943 -5.995 510 HA LYS 8 HA LYS 8 -9.898 -4.677 -6.730 511 1HB LYS 8 1HB LYS 8 -10.515 -7.098 -5.509 512 2HB LYS 8 2HB LYS 8 -10.892 -5.973 -4.210 513 1HG LYS 8 1HG LYS 8 -11.920 -5.710 -7.079 514 2HG LYS 8 2HG LYS 8 -12.760 -6.627 -5.826 515 1HD LYS 8 1HD LYS 8 -13.096 -4.683 -4.450 516 2HD LYS 8 2HD LYS 8 -12.063 -3.672 -5.483 517 1HE LYS 8 1HE LYS 8 -13.607 -3.826 -7.341 518 2HE LYS 8 2HE LYS 8 -14.614 -5.012 -6.486 519 1HZ LYS 8 1HZ LYS 8 -15.153 -3.358 -4.889 520 2HZ LYS 8 2HZ LYS 8 -14.164 -2.248 -5.601 521 3HZ LYS 8 3HZ LYS 8 -15.503 -2.791 -6.395 522 H LEU 9 H LEU 9 -8.188 -5.309 -3.713 523 HA LEU 9 HA LEU 9 -8.963 -2.781 -2.481 524 1HB LEU 9 1HB LEU 9 -6.858 -4.866 -1.779 525 2HB LEU 9 2HB LEU 9 -7.131 -3.412 -0.821 526 HG LEU 9 HG LEU 9 -9.272 -5.523 -1.335 527 1HD1 LEU 9 1HD1 LEU 9 -7.371 -6.383 0.003 528 2HD1 LEU 9 2HD1 LEU 9 -7.527 -5.010 1.117 529 3HD1 LEU 9 3HD1 LEU 9 -8.832 -6.209 0.994 530 1HD2 LEU 9 1HD2 LEU 9 -9.152 -3.111 0.546 531 2HD2 LEU 9 2HD2 LEU 9 -10.277 -3.325 -0.811 532 3HD2 LEU 9 3HD2 LEU 9 -10.395 -4.373 0.603 533 H GLU 10 H GLU 10 -6.612 -3.729 -4.811 534 HA GLU 10 HA GLU 10 -4.756 -1.540 -4.278 535 1HB GLU 10 1HB GLU 10 -5.069 -3.487 -6.614 536 2HB GLU 10 2HB GLU 10 -3.868 -2.242 -6.431 537 1HG GLU 10 1HG GLU 10 -3.028 -4.521 -5.967 538 2HG GLU 10 2HG GLU 10 -2.726 -3.342 -4.710 539 H LEU 11 H LEU 11 -7.380 -2.378 -6.578 540 HA LEU 11 HA LEU 11 -7.151 -0.204 -8.348 541 1HB LEU 11 1HB LEU 11 -8.662 -2.228 -8.597 542 2HB LEU 11 2HB LEU 11 -9.678 -1.583 -7.310 543 HG LEU 11 HG LEU 11 -9.950 0.524 -8.868 544 1HD1 LEU 11 1HD1 LEU 11 -8.183 -0.153 -10.504 545 2HD1 LEU 11 2HD1 LEU 11 -9.129 -1.603 -10.900 546 3HD1 LEU 11 3HD1 LEU 11 -9.777 0.009 -11.263 547 1HD2 LEU 11 1HD2 LEU 11 -11.218 -2.159 -9.534 548 2HD2 LEU 11 2HD2 LEU 11 -11.761 -1.012 -8.288 549 3HD2 LEU 11 3HD2 LEU 11 -11.846 -0.562 -9.999 550 H GLN 12 H GLN 12 -9.091 -0.398 -5.345 551 HA GLN 12 HA GLN 12 -10.227 2.194 -5.516 552 1HB GLN 12 1HB GLN 12 -10.371 2.012 -2.985 553 2HB GLN 12 2HB GLN 12 -11.169 0.730 -3.907 554 1HG GLN 12 1HG GLN 12 -9.547 -0.854 -3.393 555 2HG GLN 12 2HG GLN 12 -8.315 0.372 -3.056 556 1HE2 GLN 12 2HE2 GLN 12 -7.774 -0.759 -1.145 557 2HE2 GLN 12 1HE2 GLN 12 -8.767 -0.562 0.303 558 H LEU 13 H LEU 13 -6.880 1.338 -4.708 559 HA LEU 13 HA LEU 13 -6.396 3.762 -3.169 560 1HB LEU 13 1HB LEU 13 -4.369 1.831 -4.381 561 2HB LEU 13 2HB LEU 13 -4.084 3.151 -3.262 562 HG LEU 13 HG LEU 13 -5.258 0.452 -2.760 563 1HD1 LEU 13 1HD1 LEU 13 -2.873 1.057 -2.322 564 2HD1 LEU 13 2HD1 LEU 13 -3.406 2.268 -1.159 565 3HD1 LEU 13 3HD1 LEU 13 -3.736 0.545 -0.857 566 1HD2 LEU 13 1HD2 LEU 13 -5.903 2.901 -1.066 567 2HD2 LEU 13 2HD2 LEU 13 -7.071 1.824 -1.835 568 3HD2 LEU 13 3HD2 LEU 13 -6.084 1.213 -0.515 569 H ILE 14 H ILE 14 -5.658 2.487 -6.438 570 HA ILE 14 HA ILE 14 -4.418 4.867 -7.455 571 HB ILE 14 HB ILE 14 -5.858 2.456 -8.606 572 1HG1 ILE 14 1HG1 ILE 14 -3.763 2.047 -9.648 573 2HG1 ILE 14 2HG1 ILE 14 -3.184 3.695 -9.378 574 1HG2 ILE 14 1HG2 ILE 14 -6.755 4.227 -10.048 575 2HG2 ILE 14 2HG2 ILE 14 -5.126 4.912 -10.264 576 3HG2 ILE 14 3HG2 ILE 14 -5.526 3.308 -10.907 577 1HD1 ILE 14 1HD1 ILE 14 -2.925 3.276 -6.978 578 2HD1 ILE 14 2HD1 ILE 14 -3.683 1.675 -7.156 579 3HD1 ILE 14 3HD1 ILE 14 -2.112 2.028 -7.901 580 H LYS 15 H LYS 15 -7.875 3.939 -7.278 581 HA LYS 15 HA LYS 15 -8.841 6.323 -8.447 582 1HB LYS 15 1HB LYS 15 -9.919 3.946 -7.347 583 2HB LYS 15 2HB LYS 15 -10.482 5.192 -6.268 584 1HG LYS 15 1HG LYS 15 -12.168 5.101 -7.892 585 2HG LYS 15 2HG LYS 15 -11.185 6.444 -8.491 586 1HD LYS 15 1HD LYS 15 -9.928 4.680 -9.935 587 2HD LYS 15 2HD LYS 15 -11.119 3.505 -9.370 588 1HE LYS 15 1HE LYS 15 -11.876 4.226 -11.510 589 2HE LYS 15 2HE LYS 15 -12.946 5.001 -10.331 590 1HZ LYS 15 1HZ LYS 15 -11.606 6.991 -10.565 591 2HZ LYS 15 2HZ LYS 15 -10.633 6.241 -11.664 592 3HZ LYS 15 3HZ LYS 15 -12.218 6.518 -12.020 593 H GLN 16 H GLN 16 -8.164 5.492 -5.019 594 HA GLN 16 HA GLN 16 -9.122 8.041 -4.023 595 1HB GLN 16 1HB GLN 16 -7.769 5.641 -2.816 596 2HB GLN 16 2HB GLN 16 -7.570 7.180 -1.989 597 1HG GLN 16 1HG GLN 16 -9.460 6.100 -1.032 598 2HG GLN 16 2HG GLN 16 -9.998 7.533 -1.903 599 1HE2 GLN 16 2HE2 GLN 16 -10.489 4.158 -1.479 600 2HE2 GLN 16 1HE2 GLN 16 -11.592 3.954 -2.828 601 H TYR 17 H TYR 17 -6.072 6.949 -5.288 602 HA TYR 17 HA TYR 17 -4.416 9.061 -4.238 603 1HB TYR 17 1HB TYR 17 -4.194 6.838 -6.193 604 2HB TYR 17 2HB TYR 17 -3.423 8.288 -6.728 605 HD1 TYR 17 HD1 TYR 17 -1.238 8.816 -6.113 606 HD2 TYR 17 HD2 TYR 17 -3.564 6.035 -3.762 607 HE1 TYR 17 HE1 TYR 17 0.816 8.031 -4.988 608 HE2 TYR 17 HE2 TYR 17 -1.557 5.425 -2.512 609 HH TYR 17 HH TYR 17 0.679 5.864 -2.193 610 H ARG 18 H ARG 18 -6.533 8.638 -7.042 611 HA ARG 18 HA ARG 18 -5.613 11.065 -8.408 612 1HB ARG 18 1HB ARG 18 -8.195 9.479 -8.759 613 2HB ARG 18 2HB ARG 18 -7.692 10.851 -9.755 614 1HG ARG 18 1HG ARG 18 -5.655 9.591 -10.463 615 2HG ARG 18 2HG ARG 18 -6.195 8.227 -9.483 616 1HD ARG 18 1HD ARG 18 -8.424 8.428 -10.887 617 2HD ARG 18 2HD ARG 18 -7.402 9.358 -12.009 618 HE ARG 18 HE ARG 18 -6.245 6.813 -11.186 619 1HH1 ARG 18 1HH2 ARG 18 -8.479 8.312 -13.468 620 2HH1 ARG 18 2HH2 ARG 18 -8.468 6.978 -14.587 621 1HH2 ARG 18 1HH1 ARG 18 -6.238 5.043 -12.607 622 2HH2 ARG 18 2HH1 ARG 18 -7.162 5.064 -14.079 623 H GLU 19 H GLU 19 -8.312 10.065 -6.430 624 HA GLU 19 HA GLU 19 -9.606 12.531 -6.076 625 1HB GLU 19 1HB GLU 19 -10.396 10.239 -5.311 626 2HB GLU 19 2HB GLU 19 -9.315 10.432 -3.918 627 1HG GLU 19 1HG GLU 19 -10.524 12.493 -3.265 628 2HG GLU 19 2HG GLU 19 -11.591 12.308 -4.669 629 H ALA 20 H ALA 20 -6.815 11.148 -4.164 630 HA ALA 20 HA ALA 20 -6.831 13.469 -2.413 631 1HB ALA 20 1HB ALA 20 -6.013 11.394 -1.649 632 2HB ALA 20 2HB ALA 20 -4.799 11.302 -2.945 633 3HB ALA 20 3HB ALA 20 -4.643 12.526 -1.656 634 H LEU 21 H LEU 21 -5.150 12.716 -5.470 635 HA LEU 21 HA LEU 21 -3.194 14.694 -5.345 636 1HB LEU 21 1HB LEU 21 -3.748 12.813 -7.084 637 2HB LEU 21 2HB LEU 21 -4.593 14.080 -7.966 638 HG LEU 21 HG LEU 21 -1.697 14.373 -7.012 639 1HD1 LEU 21 1HD1 LEU 21 -1.816 12.264 -8.231 640 2HD1 LEU 21 2HD1 LEU 21 -2.757 13.037 -9.518 641 3HD1 LEU 21 3HD1 LEU 21 -1.058 13.514 -9.247 642 1HD2 LEU 21 1HD2 LEU 21 -3.172 15.566 -9.405 643 2HD2 LEU 21 2HD2 LEU 21 -2.619 16.457 -7.964 644 3HD2 LEU 21 3HD2 LEU 21 -1.442 15.754 -9.064 645 H GLU 22 H GLU 22 -6.635 15.064 -5.951 646 HA GLU 22 HA GLU 22 -6.588 17.681 -7.148 647 1HB GLU 22 1HB GLU 22 -8.676 16.335 -5.373 648 2HB GLU 22 2HB GLU 22 -8.949 17.801 -6.313 649 1HG GLU 22 1HG GLU 22 -8.096 15.206 -7.681 650 2HG GLU 22 2HG GLU 22 -9.774 15.538 -7.263 651 H TYR 23 H TYR 23 -6.550 16.460 -3.834 652 HA TYR 23 HA TYR 23 -6.726 19.127 -2.630 653 1HB TYR 23 1HB TYR 23 -7.162 16.391 -1.805 654 2HB TYR 23 2HB TYR 23 -5.900 17.043 -0.792 655 HD1 TYR 23 HD1 TYR 23 -6.349 19.022 0.666 656 HD2 TYR 23 HD2 TYR 23 -9.444 17.266 -1.767 657 HE1 TYR 23 HE1 TYR 23 -8.068 20.171 2.024 658 HE2 TYR 23 HE2 TYR 23 -11.164 18.436 -0.417 659 HH TYR 23 HH TYR 23 -10.310 20.554 2.331 660 H VAL 24 H VAL 24 -4.301 16.620 -3.261 661 HA VAL 24 HA VAL 24 -2.325 18.014 -1.597 662 HB VAL 24 HB VAL 24 -2.123 15.419 -3.156 663 1HG1 VAL 24 1HG1 VAL 24 0.135 16.245 -2.764 664 2HG1 VAL 24 2HG1 VAL 24 -0.276 16.733 -1.106 665 3HG1 VAL 24 3HG1 VAL 24 -0.193 15.018 -1.533 666 1HG2 VAL 24 1HG2 VAL 24 -2.554 15.960 -0.178 667 2HG2 VAL 24 2HG2 VAL 24 -3.808 15.376 -1.281 668 3HG2 VAL 24 3HG2 VAL 24 -2.400 14.367 -0.946 669 H LYS 25 H LYS 25 -3.042 17.870 -4.998 670 HA LYS 25 HA LYS 25 -2.090 18.797 -6.834 671 1HB LYS 25 1HB LYS 25 -1.530 20.894 -4.709 672 2HB LYS 25 2HB LYS 25 -1.365 21.160 -6.445 673 1HG LYS 25 1HG LYS 25 -3.970 19.957 -5.873 674 2HG LYS 25 2HG LYS 25 -3.744 21.382 -4.869 675 1HD LYS 25 1HD LYS 25 -3.277 21.316 -7.889 676 2HD LYS 25 2HD LYS 25 -4.809 21.786 -7.139 677 1HE LYS 25 1HE LYS 25 -3.806 23.690 -6.028 678 2HE LYS 25 2HE LYS 25 -2.172 23.211 -6.502 679 1HZ LYS 25 1HZ LYS 25 -2.766 23.558 -8.773 680 2HZ LYS 25 2HZ LYS 25 -4.295 24.016 -8.354 681 3HZ LYS 25 3HZ LYS 25 -3.001 24.928 -7.891 682 H LEU 26 H LEU 26 -0.413 16.890 -6.510 683 HA LEU 26 HA LEU 26 2.240 18.169 -6.923 684 1HB LEU 26 1HB LEU 26 1.813 17.066 -4.604 685 2HB LEU 26 2HB LEU 26 2.036 15.533 -5.444 686 HG LEU 26 HG LEU 26 4.041 17.847 -5.529 687 1HD1 LEU 26 1HD1 LEU 26 3.687 17.123 -3.181 688 2HD1 LEU 26 2HD1 LEU 26 4.046 15.447 -3.649 689 3HD1 LEU 26 3HD1 LEU 26 5.298 16.703 -3.769 690 1HD2 LEU 26 1HD2 LEU 26 4.358 14.859 -6.031 691 2HD2 LEU 26 2HD2 LEU 26 4.368 16.112 -7.296 692 3HD2 LEU 26 3HD2 LEU 26 5.669 16.057 -6.111 693 HA PRO 27 HA PRO 27 1.128 15.900 -10.635 694 1HB PRO 27 1HB PRO 27 3.462 16.182 -12.117 695 2HB PRO 27 2HB PRO 27 2.192 17.424 -11.953 696 1HG PRO 27 1HG PRO 27 4.770 17.201 -10.389 697 2HG PRO 27 2HG PRO 27 4.059 18.657 -11.140 698 1HD PRO 27 1HD PRO 27 3.768 18.163 -8.505 699 2HD PRO 27 2HD PRO 27 2.391 18.821 -9.435 700 H VAL 28 H VAL 28 4.330 15.316 -9.140 701 HA VAL 28 HA VAL 28 4.855 12.801 -10.179 702 HB VAL 28 HB VAL 28 5.554 13.708 -7.420 703 1HG1 VAL 28 1HG1 VAL 28 5.989 11.362 -7.633 704 2HG1 VAL 28 2HG1 VAL 28 6.778 11.591 -9.210 705 3HG1 VAL 28 3HG1 VAL 28 7.528 12.207 -7.720 706 1HG2 VAL 28 1HG2 VAL 28 7.118 14.044 -10.009 707 2HG2 VAL 28 2HG2 VAL 28 6.380 15.369 -9.073 708 3HG2 VAL 28 3HG2 VAL 28 7.707 14.435 -8.383 709 H LEU 29 H LEU 29 2.266 13.562 -7.778 710 HA LEU 29 HA LEU 29 2.151 10.910 -6.685 711 1HB LEU 29 1HB LEU 29 0.338 13.317 -6.842 712 2HB LEU 29 2HB LEU 29 -0.356 11.775 -6.477 713 HG LEU 29 HG LEU 29 1.926 12.937 -4.851 714 1HD1 LEU 29 1HD1 LEU 29 -0.048 14.420 -4.737 715 2HD1 LEU 29 2HD1 LEU 29 -1.100 13.027 -4.404 716 3HD1 LEU 29 3HD1 LEU 29 0.132 13.513 -3.222 717 1HD2 LEU 29 1HD2 LEU 29 -0.091 10.690 -4.326 718 2HD2 LEU 29 2HD2 LEU 29 1.649 10.468 -4.594 719 3HD2 LEU 29 3HD2 LEU 29 1.083 11.302 -3.147 720 H ALA 30 H ALA 30 0.801 12.515 -9.612 721 HA ALA 30 HA ALA 30 -1.080 10.341 -10.064 722 1HB ALA 30 1HB ALA 30 -1.548 12.485 -11.220 723 2HB ALA 30 2HB ALA 30 0.062 12.494 -11.958 724 3HB ALA 30 3HB ALA 30 -1.142 11.290 -12.438 725 H LYS 31 H LYS 31 2.280 11.372 -10.926 726 HA LYS 31 HA LYS 31 2.605 9.384 -12.964 727 1HB LYS 31 1HB LYS 31 3.986 11.602 -12.547 728 2HB LYS 31 2HB LYS 31 4.942 10.594 -11.441 729 1HG LYS 31 1HG LYS 31 5.226 8.963 -13.421 730 2HG LYS 31 2HG LYS 31 4.462 10.205 -14.424 731 1HD LYS 31 1HD LYS 31 6.313 11.813 -13.574 732 2HD LYS 31 2HD LYS 31 7.063 10.392 -12.827 733 1HE LYS 31 1HE LYS 31 8.150 10.742 -14.949 734 2HE LYS 31 2HE LYS 31 7.139 9.297 -15.111 735 1HZ LYS 31 1HZ LYS 31 5.493 10.662 -16.193 736 2HZ LYS 31 2HZ LYS 31 6.424 12.008 -16.008 737 3HZ LYS 31 3HZ LYS 31 6.933 10.778 -16.978 738 H ILE 32 H ILE 32 3.077 9.384 -9.490 739 HA ILE 32 HA ILE 32 4.613 6.903 -9.394 740 HB ILE 32 HB ILE 32 2.977 8.479 -7.347 741 1HG1 ILE 32 1HG1 ILE 32 5.929 7.758 -7.250 742 2HG1 ILE 32 2HG1 ILE 32 5.380 9.169 -8.150 743 1HG2 ILE 32 1HG2 ILE 32 2.655 6.204 -6.690 744 2HG2 ILE 32 2HG2 ILE 32 4.281 5.757 -7.218 745 3HG2 ILE 32 3HG2 ILE 32 4.056 6.712 -5.738 746 1HD1 ILE 32 1HD1 ILE 32 4.343 10.111 -6.115 747 2HD1 ILE 32 2HD1 ILE 32 4.861 8.699 -5.172 748 3HD1 ILE 32 3HD1 ILE 32 6.067 9.781 -5.876 749 H LEU 33 H LEU 33 1.179 7.992 -9.007 750 HA LEU 33 HA LEU 33 0.411 5.381 -8.478 751 1HB LEU 33 1HB LEU 33 -1.811 6.228 -8.281 752 2HB LEU 33 2HB LEU 33 -0.773 7.626 -7.990 753 HG LEU 33 HG LEU 33 -1.102 8.264 -10.348 754 1HD1 LEU 33 1HD1 LEU 33 -1.941 6.688 -11.722 755 2HD1 LEU 33 2HD1 LEU 33 -2.801 5.860 -10.397 756 3HD1 LEU 33 3HD1 LEU 33 -3.473 7.329 -11.159 757 1HD2 LEU 33 1HD2 LEU 33 -3.640 8.101 -8.789 758 2HD2 LEU 33 2HD2 LEU 33 -2.288 9.221 -8.390 759 3HD2 LEU 33 3HD2 LEU 33 -3.150 9.370 -9.931 760 H GLU 34 H GLU 34 0.827 6.997 -11.541 761 HA GLU 34 HA GLU 34 -0.524 5.175 -13.208 762 1HB GLU 34 1HB GLU 34 0.716 7.393 -13.766 763 2HB GLU 34 2HB GLU 34 2.196 6.463 -13.764 764 1HG GLU 34 1HG GLU 34 1.195 4.954 -15.539 765 2HG GLU 34 2HG GLU 34 -0.202 6.043 -15.603 766 H ASP 35 H ASP 35 2.775 5.160 -11.932 767 HA ASP 35 HA ASP 35 3.633 2.694 -13.070 768 1HB ASP 35 1HB ASP 35 5.007 4.534 -11.839 769 2HB ASP 35 2HB ASP 35 4.582 3.662 -10.356 770 H GLU 36 H GLU 36 2.163 3.432 -9.891 771 HA GLU 36 HA GLU 36 1.962 0.791 -8.926 772 1HB GLU 36 1HB GLU 36 -0.058 3.003 -8.456 773 2HB GLU 36 2HB GLU 36 0.200 1.563 -7.464 774 1HG GLU 36 1HG GLU 36 2.310 3.738 -7.860 775 2HG GLU 36 2HG GLU 36 1.207 3.661 -6.509 776 H GLU 37 H GLU 37 -0.454 2.606 -10.950 777 HA GLU 37 HA GLU 37 -2.370 0.703 -11.255 778 1HB GLU 37 1HB GLU 37 -1.835 3.202 -12.244 779 2HB GLU 37 2HB GLU 37 -1.493 2.268 -13.690 780 1HG GLU 37 1HG GLU 37 -4.032 1.998 -12.024 781 2HG GLU 37 2HG GLU 37 -3.781 3.227 -13.263 782 H LYS 38 H LYS 38 0.741 0.973 -13.021 783 HA LYS 38 HA LYS 38 0.193 -1.209 -14.773 784 1HB LYS 38 1HB LYS 38 2.005 0.663 -14.922 785 2HB LYS 38 2HB LYS 38 2.950 -0.351 -13.829 786 1HG LYS 38 1HG LYS 38 3.707 -0.969 -15.983 787 2HG LYS 38 2HG LYS 38 2.587 -2.263 -15.530 788 1HD LYS 38 1HD LYS 38 0.771 -0.862 -16.818 789 2HD LYS 38 2HD LYS 38 2.131 0.074 -17.442 790 1HE LYS 38 1HE LYS 38 3.100 -2.024 -18.399 791 2HE LYS 38 2HE LYS 38 1.759 -2.955 -17.698 792 1HZ LYS 38 1HZ LYS 38 0.243 -1.708 -19.031 793 2HZ LYS 38 2HZ LYS 38 1.474 -0.845 -19.711 794 3HZ LYS 38 3HZ LYS 38 1.357 -2.469 -19.973 795 H HIS 39 H HIS 39 1.933 -1.085 -11.631 796 HA HIS 39 HA HIS 39 2.573 -3.867 -11.502 797 1HB HIS 39 1HB HIS 39 1.953 -1.822 -9.354 798 2HB HIS 39 2HB HIS 39 2.466 -3.457 -8.984 799 HD1 HIS 39 HD1 HIS 39 4.911 -4.058 -10.561 800 HD2 HIS 39 HD2 HIS 39 3.967 -0.148 -9.292 801 HE1 HIS 39 HE1 HIS 39 7.108 -2.721 -10.577 802 HE2 HIS 39 HE2 HIS 39 6.496 -0.339 -9.805 803 H ILE 40 H ILE 40 -0.424 -2.132 -10.734 804 HA ILE 40 HA ILE 40 -1.685 -4.453 -9.534 805 HB ILE 40 HB ILE 40 -2.787 -1.787 -10.467 806 1HG1 ILE 40 1HG1 ILE 40 -2.230 -2.772 -7.636 807 2HG1 ILE 40 2HG1 ILE 40 -0.994 -1.951 -8.536 808 1HG2 ILE 40 1HG2 ILE 40 -4.611 -3.439 -10.367 809 2HG2 ILE 40 2HG2 ILE 40 -4.065 -3.987 -8.772 810 3HG2 ILE 40 3HG2 ILE 40 -4.744 -2.362 -8.983 811 1HD1 ILE 40 1HD1 ILE 40 -2.324 0.010 -8.899 812 2HD1 ILE 40 2HD1 ILE 40 -3.688 -0.662 -8.000 813 3HD1 ILE 40 3HD1 ILE 40 -2.150 -0.337 -7.164 814 H GLU 41 H GLU 41 -1.784 -2.862 -12.695 815 HA GLU 41 HA GLU 41 -3.691 -4.314 -14.086 816 1HB GLU 41 1HB GLU 41 -2.218 -2.391 -14.945 817 2HB GLU 41 2HB GLU 41 -0.929 -3.589 -15.150 818 1HG GLU 41 1HG GLU 41 -2.673 -4.892 -16.581 819 2HG GLU 41 2HG GLU 41 -3.534 -3.343 -16.628 820 H TRP 42 H TRP 42 -0.248 -5.165 -13.394 821 HA TRP 42 HA TRP 42 -0.009 -7.529 -14.736 822 1HB TRP 42 1HB TRP 42 1.625 -6.164 -13.268 823 2HB TRP 42 2HB TRP 42 1.015 -7.110 -11.917 824 HD1 TRP 42 HD1 TRP 42 2.816 -7.566 -15.225 825 HE1 TRP 42 HE1 TRP 42 3.854 -9.928 -15.342 826 HE3 TRP 42 HE3 TRP 42 1.023 -9.356 -10.875 827 HZ2 TRP 42 HZ2 TRP 42 3.750 -12.374 -13.757 828 HZ3 TRP 42 HZ3 TRP 42 1.453 -11.736 -10.167 829 HH2 TRP 42 HH2 TRP 42 2.690 -13.266 -11.697 830 H LEU 43 H LEU 43 -1.651 -6.936 -11.694 831 HA LEU 43 HA LEU 43 -2.034 -9.755 -10.983 832 1HB LEU 43 1HB LEU 43 -3.445 -7.332 -9.824 833 2HB LEU 43 2HB LEU 43 -3.290 -8.941 -9.133 834 HG LEU 43 HG LEU 43 -0.832 -7.215 -9.656 835 1HD1 LEU 43 1HD1 LEU 43 -2.656 -6.062 -8.154 836 2HD1 LEU 43 2HD1 LEU 43 -2.145 -7.245 -6.940 837 3HD1 LEU 43 3HD1 LEU 43 -0.975 -6.121 -7.630 838 1HD2 LEU 43 1HD2 LEU 43 -1.384 -9.414 -7.622 839 2HD2 LEU 43 2HD2 LEU 43 -0.509 -9.638 -9.144 840 3HD2 LEU 43 3HD2 LEU 43 0.161 -8.578 -7.891 841 H GLU 44 H GLU 44 -3.999 -6.990 -12.143 842 HA GLU 44 HA GLU 44 -6.351 -8.684 -12.635 843 1HB GLU 44 1HB GLU 44 -5.822 -5.753 -13.305 844 2HB GLU 44 2HB GLU 44 -7.363 -6.606 -13.489 845 1HG GLU 44 1HG GLU 44 -7.299 -7.188 -11.068 846 2HG GLU 44 2HG GLU 44 -5.882 -6.130 -10.870 847 H THR 45 H THR 45 -4.007 -9.522 -14.026 848 HA THR 45 HA THR 45 -5.271 -9.838 -16.622 849 HB THR 45 HB THR 45 -3.828 -7.661 -16.563 850 HG1 THR 45 HG1 THR 45 -4.788 -8.481 -18.403 851 1HG2 THR 45 1HG2 THR 45 -1.755 -8.569 -15.735 852 2HG2 THR 45 2HG2 THR 45 -1.576 -9.557 -17.204 853 3HG2 THR 45 3HG2 THR 45 -1.581 -7.779 -17.296 854 H ILE 46 H ILE 46 -2.296 -10.221 -14.769 855 HA ILE 46 HA ILE 46 -0.832 -11.895 -14.535 856 HB ILE 46 HB ILE 46 -2.603 -12.262 -12.918 857 1HG1 ILE 46 1HG1 ILE 46 -2.014 -14.899 -12.647 858 2HG1 ILE 46 2HG1 ILE 46 -0.720 -14.398 -13.748 859 1HG2 ILE 46 1HG2 ILE 46 -4.529 -12.802 -14.125 860 2HG2 ILE 46 2HG2 ILE 46 -3.831 -14.293 -14.776 861 3HG2 ILE 46 3HG2 ILE 46 -4.165 -14.134 -13.042 862 1HD1 ILE 46 1HD1 ILE 46 -0.247 -12.470 -12.230 863 2HD1 ILE 46 2HD1 ILE 46 -1.413 -13.143 -11.072 864 3HD1 ILE 46 3HD1 ILE 46 0.047 -14.065 -11.494 865 H LEU 47 H LEU 47 -1.947 -14.814 -15.302 866 HA LEU 47 HA LEU 47 -1.158 -16.271 -16.899 867 1HB LEU 47 1HB LEU 47 -3.152 -14.413 -18.204 868 2HB LEU 47 2HB LEU 47 -2.589 -15.857 -19.045 869 HG LEU 47 HG LEU 47 -3.667 -16.127 -16.230 870 1HD1 LEU 47 1HD1 LEU 47 -5.389 -14.893 -17.455 871 2HD1 LEU 47 2HD1 LEU 47 -5.309 -16.062 -18.793 872 3HD1 LEU 47 3HD1 LEU 47 -5.895 -16.572 -17.193 873 1HD2 LEU 47 1HD2 LEU 47 -3.640 -17.988 -18.651 874 2HD2 LEU 47 2HD2 LEU 47 -2.498 -18.070 -17.296 875 3HD2 LEU 47 3HD2 LEU 47 -4.217 -18.389 -17.023 876 H GLY 48 H GLY 48 0.874 -14.367 -16.599 877 1HA GLY 48 1HA GLY 48 1.823 -13.481 -19.184 878 2HA GLY 48 2HA GLY 48 2.726 -13.524 -17.663 879 1HN NH2 49 1HN NH2 49 2.716 -16.924 -20.126 880 2HN NH2 49 2HN NH2 49 1.336 -15.795 -20.062 Start of MODEL 8 1 1H ACE 0 H1 ACE 0 2.879 -19.749 -6.773 2 2H ACE 0 H2 ACE 0 4.292 -20.818 -6.891 3 3H ACE 0 H3 ACE 0 3.059 -20.905 -8.162 4 H ASP 1 H ASP 1 5.915 -20.069 -7.963 5 HA ASP 1 HA ASP 1 6.176 -17.580 -8.945 6 1HB ASP 1 1HB ASP 1 8.198 -18.909 -8.654 7 2HB ASP 1 2HB ASP 1 7.452 -20.352 -9.308 8 H TYR 2 H TYR 2 4.965 -20.326 -10.635 9 HA TYR 2 HA TYR 2 4.489 -18.877 -13.051 10 1HB TYR 2 1HB TYR 2 3.954 -20.731 -13.930 11 2HB TYR 2 2HB TYR 2 4.968 -21.351 -12.653 12 HD1 TYR 2 HD1 TYR 2 3.446 -21.853 -10.389 13 HD2 TYR 2 HD2 TYR 2 1.611 -20.942 -14.004 14 HE1 TYR 2 HE1 TYR 2 1.426 -23.113 -9.705 15 HE2 TYR 2 HE2 TYR 2 -0.194 -22.633 -13.644 16 HH TYR 2 HH TYR 2 -0.618 -23.962 -10.360 17 H LEU 3 H LEU 3 2.179 -20.232 -10.622 18 HA LEU 3 HA LEU 3 0.585 -17.974 -10.510 19 1HB LEU 3 1HB LEU 3 -0.987 -18.070 -12.010 20 2HB LEU 3 2HB LEU 3 0.062 -19.217 -12.824 21 HG LEU 3 HG LEU 3 -1.035 -20.951 -11.421 22 1HD1 LEU 3 1HD1 LEU 3 -2.556 -19.178 -10.166 23 2HD1 LEU 3 2HD1 LEU 3 -3.384 -18.953 -11.692 24 3HD1 LEU 3 3HD1 LEU 3 -3.451 -20.530 -10.883 25 1HD2 LEU 3 1HD2 LEU 3 -1.208 -20.706 -13.951 26 2HD2 LEU 3 2HD2 LEU 3 -2.643 -21.441 -13.212 27 3HD2 LEU 3 3HD2 LEU 3 -2.660 -19.740 -13.723 28 H ARG 4 H ARG 4 1.712 -18.636 -8.529 29 HA ARG 4 HA ARG 4 -0.787 -18.718 -7.145 30 1HB ARG 4 1HB ARG 4 -0.172 -20.368 -5.263 31 2HB ARG 4 2HB ARG 4 -0.993 -20.870 -6.740 32 1HG ARG 4 1HG ARG 4 1.178 -21.563 -7.681 33 2HG ARG 4 2HG ARG 4 1.888 -21.328 -6.026 34 1HD ARG 4 1HD ARG 4 0.688 -23.134 -5.174 35 2HD ARG 4 2HD ARG 4 -0.214 -23.352 -6.699 36 HE ARG 4 HE ARG 4 2.341 -23.389 -7.583 37 1HH1 ARG 4 1HH2 ARG 4 0.857 -25.247 -4.981 38 2HH1 ARG 4 2HH2 ARG 4 1.984 -26.571 -5.105 39 1HH2 ARG 4 1HH1 ARG 4 3.779 -25.080 -7.788 40 2HH2 ARG 4 2HH1 ARG 4 3.685 -26.478 -6.759 41 H GLU 5 H GLU 5 2.278 -17.592 -7.423 42 HA GLU 5 HA GLU 5 2.414 -16.436 -4.709 43 1HB GLU 5 1HB GLU 5 4.098 -16.305 -7.218 44 2HB GLU 5 2HB GLU 5 4.120 -14.942 -6.115 45 1HG GLU 5 1HG GLU 5 5.924 -16.476 -5.569 46 2HG GLU 5 2HG GLU 5 4.775 -16.332 -4.235 47 H LEU 6 H LEU 6 1.274 -15.624 -7.934 48 HA LEU 6 HA LEU 6 0.863 -12.851 -7.433 49 1HB LEU 6 1HB LEU 6 -0.700 -14.147 -9.602 50 2HB LEU 6 2HB LEU 6 0.066 -12.568 -9.467 51 HG LEU 6 HG LEU 6 2.328 -13.954 -9.631 52 1HD1 LEU 6 1HD1 LEU 6 0.599 -16.098 -9.569 53 2HD1 LEU 6 2HD1 LEU 6 0.595 -15.774 -11.300 54 3HD1 LEU 6 3HD1 LEU 6 2.128 -16.132 -10.470 55 1HD2 LEU 6 1HD2 LEU 6 0.224 -13.234 -11.682 56 2HD2 LEU 6 2HD2 LEU 6 1.746 -12.441 -11.234 57 3HD2 LEU 6 3HD2 LEU 6 1.766 -13.892 -12.228 58 H LEU 7 H LEU 7 -0.638 -15.089 -5.796 59 HA LEU 7 HA LEU 7 -3.086 -13.552 -5.613 60 1HB LEU 7 1HB LEU 7 -4.151 -15.863 -4.872 61 2HB LEU 7 2HB LEU 7 -4.291 -15.237 -6.501 62 HG LEU 7 HG LEU 7 -1.993 -17.079 -5.863 63 1HD1 LEU 7 1HD1 LEU 7 -3.912 -18.202 -4.866 64 2HD1 LEU 7 2HD1 LEU 7 -4.846 -17.981 -6.362 65 3HD1 LEU 7 3HD1 LEU 7 -3.413 -19.032 -6.350 66 1HD2 LEU 7 1HD2 LEU 7 -3.789 -16.721 -8.316 67 2HD2 LEU 7 2HD2 LEU 7 -2.159 -16.062 -8.166 68 3HD2 LEU 7 3HD2 LEU 7 -2.420 -17.808 -8.229 69 H LYS 8 H LYS 8 -1.069 -16.099 -4.090 70 HA LYS 8 HA LYS 8 -2.039 -15.508 -1.559 71 1HB LYS 8 1HB LYS 8 -0.888 -17.607 -2.408 72 2HB LYS 8 2HB LYS 8 0.665 -16.767 -2.254 73 1HG LYS 8 1HG LYS 8 0.315 -16.546 0.184 74 2HG LYS 8 2HG LYS 8 -1.327 -17.208 0.016 75 1HD LYS 8 1HD LYS 8 -0.376 -19.320 -0.905 76 2HD LYS 8 2HD LYS 8 1.264 -18.700 -0.648 77 1HE LYS 8 1HE LYS 8 0.991 -18.709 1.745 78 2HE LYS 8 2HE LYS 8 -0.769 -18.895 1.623 79 1HZ LYS 8 1HZ LYS 8 -0.458 -21.057 0.724 80 2HZ LYS 8 2HZ LYS 8 1.184 -20.925 0.807 81 3HZ LYS 8 3HZ LYS 8 0.284 -20.943 2.189 82 H LEU 9 H LEU 9 0.892 -14.347 -3.251 83 HA LEU 9 HA LEU 9 1.808 -12.795 -0.957 84 1HB LEU 9 1HB LEU 9 2.561 -12.489 -3.875 85 2HB LEU 9 2HB LEU 9 3.341 -11.756 -2.470 86 HG LEU 9 HG LEU 9 3.244 -14.732 -3.108 87 1HD1 LEU 9 1HD1 LEU 9 4.834 -13.404 -4.502 88 2HD1 LEU 9 2HD1 LEU 9 5.586 -12.778 -3.016 89 3HD1 LEU 9 3HD1 LEU 9 5.695 -14.490 -3.397 90 1HD2 LEU 9 1HD2 LEU 9 4.878 -14.929 -1.192 91 2HD2 LEU 9 2HD2 LEU 9 4.466 -13.263 -0.736 92 3HD2 LEU 9 3HD2 LEU 9 3.228 -14.548 -0.701 93 H GLU 10 H GLU 10 -0.223 -12.262 -3.850 94 HA GLU 10 HA GLU 10 -0.469 -9.464 -3.555 95 1HB GLU 10 1HB GLU 10 -2.570 -11.393 -4.596 96 2HB GLU 10 2HB GLU 10 -2.454 -9.654 -4.800 97 1HG GLU 10 1HG GLU 10 -0.595 -11.689 -5.951 98 2HG GLU 10 2HG GLU 10 -1.717 -10.659 -6.858 99 H LEU 11 H LEU 11 -2.387 -12.131 -2.041 100 HA LEU 11 HA LEU 11 -4.236 -10.363 -0.719 101 1HB LEU 11 1HB LEU 11 -4.580 -12.770 -0.996 102 2HB LEU 11 2HB LEU 11 -3.208 -13.152 0.041 103 HG LEU 11 HG LEU 11 -5.329 -11.380 1.230 104 1HD1 LEU 11 1HD1 LEU 11 -6.717 -12.974 0.020 105 2HD1 LEU 11 2HD1 LEU 11 -5.796 -14.339 0.687 106 3HD1 LEU 11 3HD1 LEU 11 -6.783 -13.316 1.754 107 1HD2 LEU 11 1HD2 LEU 11 -3.828 -13.840 2.257 108 2HD2 LEU 11 2HD2 LEU 11 -3.374 -12.156 2.584 109 3HD2 LEU 11 3HD2 LEU 11 -4.898 -12.801 3.213 110 H GLN 12 H GLN 12 -0.969 -11.523 0.220 111 HA GLN 12 HA GLN 12 -1.015 -10.309 2.810 112 1HB GLN 12 1HB GLN 12 1.345 -10.947 1.004 113 2HB GLN 12 2HB GLN 12 1.470 -10.302 2.638 114 1HG GLN 12 1HG GLN 12 0.205 -12.231 3.532 115 2HG GLN 12 2HG GLN 12 0.163 -12.953 1.915 116 1HE2 GLN 12 2HE2 GLN 12 2.399 -13.237 0.864 117 2HE2 GLN 12 1HE2 GLN 12 3.722 -13.685 1.932 118 H LEU 13 H LEU 13 -0.887 -8.766 -0.336 119 HA LEU 13 HA LEU 13 0.454 -6.359 0.581 120 1HB LEU 13 1HB LEU 13 -1.438 -6.707 -1.795 121 2HB LEU 13 2HB LEU 13 -0.387 -5.351 -1.452 122 HG LEU 13 HG LEU 13 0.534 -8.167 -2.125 123 1HD1 LEU 13 1HD1 LEU 13 -0.576 -6.934 -3.945 124 2HD1 LEU 13 2HD1 LEU 13 0.475 -5.544 -3.693 125 3HD1 LEU 13 3HD1 LEU 13 1.141 -7.075 -4.284 126 1HD2 LEU 13 1HD2 LEU 13 1.921 -5.759 -1.059 127 2HD2 LEU 13 2HD2 LEU 13 2.293 -7.469 -0.847 128 3HD2 LEU 13 3HD2 LEU 13 2.752 -6.631 -2.343 129 H ILE 14 H ILE 14 -2.937 -7.179 -0.295 130 HA ILE 14 HA ILE 14 -4.108 -4.797 0.812 131 HB ILE 14 HB ILE 14 -5.117 -7.640 0.192 132 1HG1 ILE 14 1HG1 ILE 14 -6.591 -6.034 -1.338 133 2HG1 ILE 14 2HG1 ILE 14 -5.335 -4.854 -1.038 134 1HG2 ILE 14 1HG2 ILE 14 -6.492 -6.884 2.103 135 2HG2 ILE 14 2HG2 ILE 14 -6.777 -5.323 1.300 136 3HG2 ILE 14 3HG2 ILE 14 -7.427 -6.824 0.614 137 1HD1 ILE 14 1HD1 ILE 14 -3.674 -6.332 -2.083 138 2HD1 ILE 14 2HD1 ILE 14 -4.883 -7.636 -2.211 139 3HD1 ILE 14 3HD1 ILE 14 -5.068 -6.138 -3.143 140 H LYS 15 H LYS 15 -3.370 -7.895 2.211 141 HA LYS 15 HA LYS 15 -4.326 -7.299 4.839 142 1HB LYS 15 1HB LYS 15 -3.182 -9.509 3.766 143 2HB LYS 15 2HB LYS 15 -1.770 -8.868 4.580 144 1HG LYS 15 1HG LYS 15 -2.550 -10.089 6.326 145 2HG LYS 15 2HG LYS 15 -3.642 -8.727 6.611 146 1HD LYS 15 1HD LYS 15 -5.357 -9.864 5.141 147 2HD LYS 15 2HD LYS 15 -4.209 -11.190 4.881 148 1HE LYS 15 1HE LYS 15 -4.203 -11.621 7.368 149 2HE LYS 15 2HE LYS 15 -5.507 -10.429 7.529 150 1HZ LYS 15 1HZ LYS 15 -6.814 -11.790 6.037 151 2HZ LYS 15 2HZ LYS 15 -5.590 -12.884 5.910 152 3HZ LYS 15 3HZ LYS 15 -6.341 -12.657 7.356 153 H GLN 16 H GLN 16 -0.996 -6.796 3.535 154 HA GLN 16 HA GLN 16 0.007 -5.637 5.989 155 1HB GLN 16 1HB GLN 16 0.943 -5.641 3.092 156 2HB GLN 16 2HB GLN 16 1.796 -4.698 4.306 157 1HG GLN 16 1HG GLN 16 1.265 -7.664 4.719 158 2HG GLN 16 2HG GLN 16 2.676 -7.053 3.837 159 1HE2 GLN 16 2HE2 GLN 16 3.721 -8.341 5.733 160 2HE2 GLN 16 1HE2 GLN 16 4.056 -7.368 7.162 161 H TYR 17 H TYR 17 -1.583 -4.354 3.150 162 HA TYR 17 HA TYR 17 -1.012 -1.592 3.581 163 1HB TYR 17 1HB TYR 17 -3.117 -3.195 2.074 164 2HB TYR 17 2HB TYR 17 -3.262 -1.477 2.161 165 HD1 TYR 17 HD1 TYR 17 -0.487 -0.506 1.781 166 HD2 TYR 17 HD2 TYR 17 -2.812 -3.459 -0.311 167 HE1 TYR 17 HE1 TYR 17 0.794 -0.060 -0.271 168 HE2 TYR 17 HE2 TYR 17 -1.532 -2.999 -2.368 169 HH TYR 17 HH TYR 17 1.217 -0.750 -2.460 170 H ARG 18 H ARG 18 -3.263 -3.808 5.065 171 HA ARG 18 HA ARG 18 -4.953 -1.642 6.145 172 1HB ARG 18 1HB ARG 18 -4.906 -4.655 6.569 173 2HB ARG 18 2HB ARG 18 -5.859 -3.565 7.585 174 1HG ARG 18 1HG ARG 18 -7.050 -2.688 5.644 175 2HG ARG 18 2HG ARG 18 -6.100 -3.717 4.551 176 1HD ARG 18 1HD ARG 18 -7.028 -5.723 5.490 177 2HD ARG 18 2HD ARG 18 -7.809 -4.820 6.817 178 HE ARG 18 HE ARG 18 -8.745 -3.761 4.370 179 1HH1 ARG 18 1HH2 ARG 18 -8.915 -6.758 6.199 180 2HH1 ARG 18 2HH2 ARG 18 -10.517 -7.189 5.661 181 1HH2 ARG 18 1HH1 ARG 18 -10.847 -4.266 3.656 182 2HH2 ARG 18 2HH1 ARG 18 -11.646 -5.726 4.167 183 H GLU 19 H GLU 19 -2.348 -3.741 7.163 184 HA GLU 19 HA GLU 19 -2.186 -2.838 9.868 185 1HB GLU 19 1HB GLU 19 -1.017 -4.850 8.786 186 2HB GLU 19 2HB GLU 19 0.181 -3.700 8.181 187 1HG GLU 19 1HG GLU 19 0.659 -2.972 10.501 188 2HG GLU 19 2HG GLU 19 -0.563 -4.102 11.109 189 H ALA 20 H ALA 20 -0.561 -1.709 6.843 190 HA ALA 20 HA ALA 20 0.829 0.368 8.418 191 1HB ALA 20 1HB ALA 20 2.163 -0.585 6.789 192 2HB ALA 20 2HB ALA 20 0.887 -0.484 5.575 193 3HB ALA 20 3HB ALA 20 1.745 0.992 6.106 194 H LEU 21 H LEU 21 -2.169 0.269 6.560 195 HA LEU 21 HA LEU 21 -2.652 2.911 5.972 196 1HB LEU 21 1HB LEU 21 -4.288 1.221 5.514 197 2HB LEU 21 2HB LEU 21 -4.435 0.814 7.229 198 HG LEU 21 HG LEU 21 -5.536 2.976 7.678 199 1HD1 LEU 21 1HD1 LEU 21 -4.521 4.341 5.821 200 2HD1 LEU 21 2HD1 LEU 21 -5.417 3.352 4.656 201 3HD1 LEU 21 3HD1 LEU 21 -6.287 4.392 5.796 202 1HD2 LEU 21 1HD2 LEU 21 -6.753 1.356 5.401 203 2HD2 LEU 21 2HD2 LEU 21 -6.837 0.958 7.127 204 3HD2 LEU 21 3HD2 LEU 21 -7.638 2.418 6.520 205 H GLU 22 H GLU 22 -2.681 1.444 9.236 206 HA GLU 22 HA GLU 22 -3.781 3.828 10.471 207 1HB GLU 22 1HB GLU 22 -2.458 1.383 11.734 208 2HB GLU 22 2HB GLU 22 -3.284 2.697 12.588 209 1HG GLU 22 1HG GLU 22 -5.343 2.162 11.113 210 2HG GLU 22 2HG GLU 22 -4.508 0.659 10.682 211 H TYR 23 H TYR 23 -0.522 2.373 10.133 212 HA TYR 23 HA TYR 23 0.850 4.298 11.720 213 1HB TYR 23 1HB TYR 23 1.586 2.346 9.513 214 2HB TYR 23 2HB TYR 23 2.737 3.518 10.073 215 HD1 TYR 23 HD1 TYR 23 1.610 0.214 10.628 216 HD2 TYR 23 HD2 TYR 23 3.037 3.713 12.709 217 HE1 TYR 23 HE1 TYR 23 2.328 -1.200 12.526 218 HE2 TYR 23 HE2 TYR 23 3.715 2.301 14.617 219 HH TYR 23 HH TYR 23 3.832 0.172 15.465 220 H VAL 24 H VAL 24 -0.186 4.263 8.322 221 HA VAL 24 HA VAL 24 1.365 6.731 7.795 222 HB VAL 24 HB VAL 24 -0.297 4.985 5.968 223 1HG1 VAL 24 1HG1 VAL 24 -0.166 7.218 4.995 224 2HG1 VAL 24 2HG1 VAL 24 1.557 7.350 5.408 225 3HG1 VAL 24 3HG1 VAL 24 1.025 6.210 4.164 226 1HG2 VAL 24 1HG2 VAL 24 2.731 5.254 6.314 227 2HG2 VAL 24 2HG2 VAL 24 1.777 3.872 6.874 228 3HG2 VAL 24 3HG2 VAL 24 1.901 4.207 5.145 229 H LYS 25 H LYS 25 -2.001 5.861 8.390 230 HA LYS 25 HA LYS 25 -3.925 7.037 8.421 231 1HB LYS 25 1HB LYS 25 -2.055 9.254 9.354 232 2HB LYS 25 2HB LYS 25 -3.814 9.343 9.366 233 1HG LYS 25 1HG LYS 25 -3.358 6.918 10.657 234 2HG LYS 25 2HG LYS 25 -2.010 7.915 11.213 235 1HD LYS 25 1HD LYS 25 -3.683 9.731 11.796 236 2HD LYS 25 2HD LYS 25 -4.985 8.645 11.263 237 1HE LYS 25 1HE LYS 25 -4.219 6.976 13.008 238 2HE LYS 25 2HE LYS 25 -3.077 8.197 13.599 239 1HZ LYS 25 1HZ LYS 25 -4.965 9.642 13.996 240 2HZ LYS 25 2HZ LYS 25 -6.003 8.471 13.478 241 3HZ LYS 25 3HZ LYS 25 -5.106 8.231 14.839 242 H LEU 26 H LEU 26 -3.504 6.677 5.932 243 HA LEU 26 HA LEU 26 -4.116 9.304 4.627 244 1HB LEU 26 1HB LEU 26 -1.869 8.667 4.019 245 2HB LEU 26 2HB LEU 26 -2.401 7.036 3.633 246 HG LEU 26 HG LEU 26 -3.923 8.153 1.857 247 1HD1 LEU 26 1HD1 LEU 26 -3.609 10.538 2.560 248 2HD1 LEU 26 2HD1 LEU 26 -1.875 10.391 2.205 249 3HD1 LEU 26 3HD1 LEU 26 -3.058 10.268 0.901 250 1HD2 LEU 26 1HD2 LEU 26 -0.912 8.165 1.494 251 2HD2 LEU 26 2HD2 LEU 26 -1.979 6.757 1.294 252 3HD2 LEU 26 3HD2 LEU 26 -2.125 8.130 0.201 253 HA PRO 27 HA PRO 27 -7.770 6.683 3.874 254 1HB PRO 27 1HB PRO 27 -9.281 8.434 2.379 255 2HB PRO 27 2HB PRO 27 -9.158 8.479 4.160 256 1HG PRO 27 1HG PRO 27 -7.617 10.143 2.157 257 2HG PRO 27 2HG PRO 27 -8.437 10.695 3.645 258 1HD PRO 27 1HD PRO 27 -5.772 10.236 3.573 259 2HD PRO 27 2HD PRO 27 -6.713 9.796 5.027 260 H VAL 28 H VAL 28 -6.096 8.591 1.311 261 HA VAL 28 HA VAL 28 -6.773 7.060 -0.924 262 HB VAL 28 HB VAL 28 -4.370 8.640 -0.199 263 1HG1 VAL 28 1HG1 VAL 28 -3.313 6.759 -1.380 264 2HG1 VAL 28 2HG1 VAL 28 -4.527 6.887 -2.676 265 3HG1 VAL 28 3HG1 VAL 28 -3.350 8.183 -2.413 266 1HG2 VAL 28 1HG2 VAL 28 -6.212 8.751 -2.600 267 2HG2 VAL 28 2HG2 VAL 28 -6.381 9.749 -1.132 268 3HG2 VAL 28 3HG2 VAL 28 -4.952 9.916 -2.169 269 H LEU 29 H LEU 29 -4.609 6.098 1.791 270 HA LEU 29 HA LEU 29 -3.475 3.860 0.360 271 1HB LEU 29 1HB LEU 29 -3.124 5.087 2.898 272 2HB LEU 29 2HB LEU 29 -3.656 3.452 3.260 273 HG LEU 29 HG LEU 29 -1.431 4.046 1.287 274 1HD1 LEU 29 1HD1 LEU 29 -1.194 3.567 4.283 275 2HD1 LEU 29 2HD1 LEU 29 0.156 3.666 3.135 276 3HD1 LEU 29 3HD1 LEU 29 -0.862 5.088 3.425 277 1HD2 LEU 29 1HD2 LEU 29 -2.075 1.588 3.007 278 2HD2 LEU 29 2HD2 LEU 29 -2.433 1.729 1.271 279 3HD2 LEU 29 3HD2 LEU 29 -0.752 1.750 1.835 280 H ALA 30 H ALA 30 -6.182 4.260 2.691 281 HA ALA 30 HA ALA 30 -6.900 1.591 2.659 282 1HB ALA 30 1HB ALA 30 -7.836 3.242 4.263 283 2HB ALA 30 2HB ALA 30 -8.811 3.964 2.968 284 3HB ALA 30 3HB ALA 30 -9.120 2.296 3.488 285 H LYS 31 H LYS 31 -7.606 4.204 0.320 286 HA LYS 31 HA LYS 31 -9.599 2.629 -1.211 287 1HB LYS 31 1HB LYS 31 -8.361 5.358 -1.500 288 2HB LYS 31 2HB LYS 31 -9.030 4.550 -2.914 289 1HG LYS 31 1HG LYS 31 -10.675 5.993 -2.002 290 2HG LYS 31 2HG LYS 31 -11.222 4.326 -1.897 291 1HD LYS 31 1HD LYS 31 -9.838 5.554 0.497 292 2HD LYS 31 2HD LYS 31 -11.457 6.128 0.121 293 1HE LYS 31 1HE LYS 31 -10.785 3.184 0.606 294 2HE LYS 31 2HE LYS 31 -11.427 4.297 1.811 295 1HZ LYS 31 1HZ LYS 31 -13.347 4.606 0.430 296 2HZ LYS 31 2HZ LYS 31 -12.758 3.559 -0.699 297 3HZ LYS 31 3HZ LYS 31 -13.139 3.016 0.805 298 H ILE 32 H ILE 32 -6.160 3.300 -1.399 299 HA ILE 32 HA ILE 32 -5.719 2.218 -4.052 300 HB ILE 32 HB ILE 32 -3.975 2.708 -1.618 301 1HG1 ILE 32 1HG1 ILE 32 -3.810 3.662 -4.517 302 2HG1 ILE 32 2HG1 ILE 32 -4.596 4.541 -3.217 303 1HG2 ILE 32 1HG2 ILE 32 -3.102 0.587 -2.402 304 2HG2 ILE 32 2HG2 ILE 32 -3.106 1.152 -4.079 305 3HG2 ILE 32 3HG2 ILE 32 -1.995 1.847 -2.884 306 1HD1 ILE 32 1HD1 ILE 32 -2.369 4.559 -1.983 307 2HD1 ILE 32 2HD1 ILE 32 -1.623 3.927 -3.470 308 3HD1 ILE 32 3HD1 ILE 32 -2.423 5.497 -3.490 309 H LEU 33 H LEU 33 -5.745 0.892 -0.671 310 HA LEU 33 HA LEU 33 -4.870 -1.631 -1.608 311 1HB LEU 33 1HB LEU 33 -4.996 -2.232 0.658 312 2HB LEU 33 2HB LEU 33 -4.708 -0.477 0.661 313 HG LEU 33 HG LEU 33 -6.927 -0.063 1.273 314 1HD1 LEU 33 1HD1 LEU 33 -8.394 -1.708 0.604 315 2HD1 LEU 33 2HD1 LEU 33 -7.235 -3.021 0.959 316 3HD1 LEU 33 3HD1 LEU 33 -8.123 -2.204 2.274 317 1HD2 LEU 33 1HD2 LEU 33 -5.408 -2.114 2.920 318 2HD2 LEU 33 2HD2 LEU 33 -5.108 -0.362 2.885 319 3HD2 LEU 33 3HD2 LEU 33 -6.614 -0.983 3.581 320 H GLU 34 H GLU 34 -8.006 -0.135 -1.664 321 HA GLU 34 HA GLU 34 -9.545 -2.562 -1.799 322 1HB GLU 34 1HB GLU 34 -10.298 -0.201 -1.079 323 2HB GLU 34 2HB GLU 34 -10.320 0.215 -2.779 324 1HG GLU 34 1HG GLU 34 -11.733 -2.289 -2.514 325 2HG GLU 34 2HG GLU 34 -12.321 -1.200 -1.253 326 H ASP 35 H ASP 35 -8.462 -0.058 -4.102 327 HA ASP 35 HA ASP 35 -9.542 -1.260 -6.446 328 1HB ASP 35 1HB ASP 35 -8.686 1.077 -6.353 329 2HB ASP 35 2HB ASP 35 -7.027 0.447 -6.289 330 H GLU 36 H GLU 36 -6.307 -1.587 -4.962 331 HA GLU 36 HA GLU 36 -5.172 -3.442 -6.764 332 1HB GLU 36 1HB GLU 36 -4.898 -3.214 -3.735 333 2HB GLU 36 2HB GLU 36 -3.843 -4.191 -4.760 334 1HG GLU 36 1HG GLU 36 -4.139 -1.217 -5.322 335 2HG GLU 36 2HG GLU 36 -3.052 -1.816 -4.064 336 H GLU 37 H GLU 37 -7.316 -4.053 -3.885 337 HA GLU 37 HA GLU 37 -7.345 -6.759 -3.944 338 1HB GLU 37 1HB GLU 37 -8.562 -4.791 -2.497 339 2HB GLU 37 2HB GLU 37 -9.963 -5.293 -3.425 340 1HG GLU 37 1HG GLU 37 -8.198 -7.339 -2.068 341 2HG GLU 37 2HG GLU 37 -9.257 -6.302 -1.114 342 H LYS 38 H LYS 38 -9.483 -4.585 -5.856 343 HA LYS 38 HA LYS 38 -10.846 -6.730 -7.211 344 1HB LYS 38 1HB LYS 38 -11.560 -4.290 -7.084 345 2HB LYS 38 2HB LYS 38 -10.182 -3.891 -8.097 346 1HG LYS 38 1HG LYS 38 -11.852 -3.835 -9.623 347 2HG LYS 38 2HG LYS 38 -11.259 -5.466 -9.898 348 1HD LYS 38 1HD LYS 38 -13.690 -4.715 -8.180 349 2HD LYS 38 2HD LYS 38 -13.752 -5.184 -9.884 350 1HE LYS 38 1HE LYS 38 -12.675 -7.405 -9.228 351 2HE LYS 38 2HE LYS 38 -12.960 -6.945 -7.533 352 1HZ LYS 38 1HZ LYS 38 -15.261 -6.801 -7.978 353 2HZ LYS 38 2HZ LYS 38 -15.044 -7.172 -9.574 354 3HZ LYS 38 3HZ LYS 38 -14.692 -8.284 -8.412 355 H HIS 39 H HIS 39 -7.943 -4.897 -8.168 356 HA HIS 39 HA HIS 39 -7.513 -6.248 -10.629 357 1HB HIS 39 1HB HIS 39 -5.936 -4.567 -8.744 358 2HB HIS 39 2HB HIS 39 -4.970 -5.729 -9.624 359 HD1 HIS 39 HD1 HIS 39 -4.397 -5.118 -12.039 360 HD2 HIS 39 HD2 HIS 39 -7.533 -2.860 -10.376 361 HE1 HIS 39 HE1 HIS 39 -4.897 -3.274 -13.697 362 HE2 HIS 39 HE2 HIS 39 -6.836 -1.892 -12.704 363 H ILE 40 H ILE 40 -6.746 -7.207 -7.347 364 HA ILE 40 HA ILE 40 -5.256 -9.615 -8.149 365 HB ILE 40 HB ILE 40 -5.922 -8.173 -5.575 366 1HG1 ILE 40 1HG1 ILE 40 -3.214 -9.031 -6.650 367 2HG1 ILE 40 2HG1 ILE 40 -3.986 -7.638 -7.331 368 1HG2 ILE 40 1HG2 ILE 40 -6.132 -10.527 -4.971 369 2HG2 ILE 40 2HG2 ILE 40 -4.597 -10.902 -5.785 370 3HG2 ILE 40 3HG2 ILE 40 -4.641 -9.879 -4.325 371 1HD1 ILE 40 1HD1 ILE 40 -4.085 -6.448 -5.277 372 2HD1 ILE 40 2HD1 ILE 40 -3.525 -7.831 -4.333 373 3HD1 ILE 40 3HD1 ILE 40 -2.435 -7.034 -5.486 374 H GLU 41 H GLU 41 -8.540 -8.712 -7.343 375 HA GLU 41 HA GLU 41 -9.487 -11.178 -6.345 376 1HB GLU 41 1HB GLU 41 -10.754 -8.951 -6.448 377 2HB GLU 41 2HB GLU 41 -11.011 -9.278 -8.178 378 1HG GLU 41 1HG GLU 41 -11.946 -11.577 -7.339 379 2HG GLU 41 2HG GLU 41 -12.024 -10.783 -5.756 380 H TRP 42 H TRP 42 -8.975 -9.815 -9.572 381 HA TRP 42 HA TRP 42 -9.896 -11.804 -11.264 382 1HB TRP 42 1HB TRP 42 -8.712 -9.485 -11.608 383 2HB TRP 42 2HB TRP 42 -7.238 -10.417 -11.669 384 HD1 TRP 42 HD1 TRP 42 -10.474 -9.916 -13.592 385 HE1 TRP 42 HE1 TRP 42 -10.298 -10.998 -15.930 386 HE3 TRP 42 HE3 TRP 42 -6.051 -12.215 -12.984 387 HZ2 TRP 42 HZ2 TRP 42 -8.424 -12.759 -17.327 388 HZ3 TRP 42 HZ3 TRP 42 -5.052 -13.661 -14.799 389 HH2 TRP 42 HH2 TRP 42 -6.277 -13.959 -16.939 390 H LEU 43 H LEU 43 -7.135 -11.873 -9.155 391 HA LEU 43 HA LEU 43 -6.134 -14.364 -10.406 392 1HB LEU 43 1HB LEU 43 -4.827 -12.341 -8.500 393 2HB LEU 43 2HB LEU 43 -4.074 -13.885 -8.876 394 HG LEU 43 HG LEU 43 -4.857 -12.022 -11.119 395 1HD1 LEU 43 1HD1 LEU 43 -3.420 -10.758 -9.426 396 2HD1 LEU 43 2HD1 LEU 43 -2.126 -11.905 -9.808 397 3HD1 LEU 43 3HD1 LEU 43 -2.794 -10.886 -11.079 398 1HD2 LEU 43 1HD2 LEU 43 -2.673 -14.138 -10.717 399 2HD2 LEU 43 2HD2 LEU 43 -4.150 -14.354 -11.671 400 3HD2 LEU 43 3HD2 LEU 43 -2.917 -13.190 -12.187 401 H GLU 44 H GLU 44 -7.592 -13.201 -7.437 402 HA GLU 44 HA GLU 44 -7.043 -15.703 -5.978 403 1HB GLU 44 1HB GLU 44 -8.867 -13.326 -5.543 404 2HB GLU 44 2HB GLU 44 -8.974 -14.771 -4.531 405 1HG GLU 44 1HG GLU 44 -6.239 -13.548 -4.924 406 2HG GLU 44 2HG GLU 44 -7.398 -12.694 -3.901 407 H THR 45 H THR 45 -9.858 -14.269 -7.087 408 HA THR 45 HA THR 45 -11.786 -16.221 -6.784 409 HB THR 45 HB THR 45 -11.995 -13.823 -7.704 410 HG1 THR 45 HG1 THR 45 -13.716 -15.878 -8.601 411 1HG2 THR 45 1HG2 THR 45 -10.890 -14.131 -9.955 412 2HG2 THR 45 2HG2 THR 45 -12.266 -15.148 -10.426 413 3HG2 THR 45 3HG2 THR 45 -12.518 -13.454 -9.999 414 H ILE 46 H ILE 46 -9.784 -15.808 -9.464 415 HA ILE 46 HA ILE 46 -10.891 -17.105 -11.500 416 HB ILE 46 HB ILE 46 -9.051 -15.680 -11.720 417 1HG1 ILE 46 1HG1 ILE 46 -7.525 -18.059 -12.646 418 2HG1 ILE 46 2HG1 ILE 46 -9.168 -17.868 -13.308 419 1HG2 ILE 46 1HG2 ILE 46 -8.003 -15.641 -9.894 420 2HG2 ILE 46 2HG2 ILE 46 -7.582 -17.335 -9.770 421 3HG2 ILE 46 3HG2 ILE 46 -6.749 -16.306 -10.948 422 1HD1 ILE 46 1HD1 ILE 46 -8.750 -15.566 -13.925 423 2HD1 ILE 46 2HD1 ILE 46 -7.118 -15.636 -13.226 424 3HD1 ILE 46 3HD1 ILE 46 -7.521 -16.626 -14.661 425 H LEU 47 H LEU 47 -8.602 -18.812 -9.332 426 HA LEU 47 HA LEU 47 -9.858 -21.353 -9.956 427 1HB LEU 47 1HB LEU 47 -8.131 -21.172 -11.729 428 2HB LEU 47 2HB LEU 47 -6.868 -21.002 -10.510 429 HG LEU 47 HG LEU 47 -8.673 -23.349 -10.090 430 1HD1 LEU 47 1HD1 LEU 47 -8.661 -23.336 -12.550 431 2HD1 LEU 47 2HD1 LEU 47 -6.882 -23.301 -12.548 432 3HD1 LEU 47 3HD1 LEU 47 -7.751 -24.710 -11.900 433 1HD2 LEU 47 1HD2 LEU 47 -5.639 -23.126 -10.335 434 2HD2 LEU 47 2HD2 LEU 47 -6.552 -23.087 -8.815 435 3HD2 LEU 47 3HD2 LEU 47 -6.543 -24.554 -9.792 436 H GLY 48 H GLY 48 -10.546 -20.920 -7.832 437 1HA GLY 48 1HA GLY 48 -8.832 -21.777 -5.702 438 2HA GLY 48 2HA GLY 48 -9.064 -20.005 -5.709 439 1HN NH2 49 1HN NH2 49 -10.191 -20.768 -3.555 440 2HN NH2 49 2HN NH2 49 -11.934 -21.123 -3.695 441 1H ACE 0 H1 ACE 0 11.297 4.657 5.251 442 2H ACE 0 H2 ACE 0 10.306 4.913 6.705 443 3H ACE 0 H3 ACE 0 11.962 4.280 6.854 444 H ASP 1 H ASP 1 10.359 2.746 8.145 445 HA ASP 1 HA ASP 1 10.754 0.259 7.071 446 1HB ASP 1 1HB ASP 1 10.178 0.939 9.497 447 2HB ASP 1 2HB ASP 1 8.481 0.711 9.030 448 H TYR 2 H TYR 2 7.638 2.028 7.073 449 HA TYR 2 HA TYR 2 5.952 0.332 5.622 450 1HB TYR 2 1HB TYR 2 6.130 3.321 5.243 451 2HB TYR 2 2HB TYR 2 4.717 2.278 5.246 452 HD1 TYR 2 HD1 TYR 2 5.041 0.746 7.809 453 HD2 TYR 2 HD2 TYR 2 5.741 4.918 6.931 454 HE1 TYR 2 HE1 TYR 2 5.115 1.254 10.227 455 HE2 TYR 2 HE2 TYR 2 5.750 5.420 9.346 456 HH TYR 2 HH TYR 2 5.580 4.568 11.475 457 H LEU 3 H LEU 3 8.345 2.622 4.241 458 HA LEU 3 HA LEU 3 7.608 1.941 1.545 459 1HB LEU 3 1HB LEU 3 10.234 3.079 2.592 460 2HB LEU 3 2HB LEU 3 9.680 3.122 0.922 461 HG LEU 3 HG LEU 3 8.276 4.533 3.249 462 1HD1 LEU 3 1HD1 LEU 3 10.497 5.484 2.805 463 2HD1 LEU 3 2HD1 LEU 3 10.087 5.659 1.083 464 3HD1 LEU 3 3HD1 LEU 3 9.204 6.591 2.312 465 1HD2 LEU 3 1HD2 LEU 3 7.844 4.698 0.230 466 2HD2 LEU 3 2HD2 LEU 3 6.702 4.025 1.415 467 3HD2 LEU 3 3HD2 LEU 3 7.082 5.750 1.437 468 H ARG 4 H ARG 4 10.016 0.790 3.868 469 HA ARG 4 HA ARG 4 11.087 -1.241 2.070 470 1HB ARG 4 1HB ARG 4 11.493 -0.509 4.966 471 2HB ARG 4 2HB ARG 4 12.191 -1.990 4.312 472 1HG ARG 4 1HG ARG 4 12.580 0.658 2.872 473 2HG ARG 4 2HG ARG 4 13.605 0.229 4.241 474 1HD ARG 4 1HD ARG 4 14.712 -1.410 3.149 475 2HD ARG 4 2HD ARG 4 13.300 -1.950 2.222 476 HE ARG 4 HE ARG 4 13.819 0.471 1.091 477 1HH1 ARG 4 1HH2 ARG 4 15.790 -2.391 1.700 478 2HH1 ARG 4 2HH2 ARG 4 16.714 -2.254 0.231 479 1HH2 ARG 4 1HH1 ARG 4 14.974 0.648 -0.858 480 2HH2 ARG 4 2HH1 ARG 4 16.232 -0.483 -1.264 481 H GLU 5 H GLU 5 8.059 -1.090 3.193 482 HA GLU 5 HA GLU 5 7.854 -4.077 3.215 483 1HB GLU 5 1HB GLU 5 6.229 -2.041 4.794 484 2HB GLU 5 2HB GLU 5 5.749 -3.730 4.551 485 1HG GLU 5 1HG GLU 5 7.769 -4.511 5.692 486 2HG GLU 5 2HG GLU 5 8.334 -2.853 5.907 487 H LEU 6 H LEU 6 5.637 -1.296 2.929 488 HA LEU 6 HA LEU 6 3.939 -2.600 1.029 489 1HB LEU 6 1HB LEU 6 4.124 0.256 2.062 490 2HB LEU 6 2HB LEU 6 2.897 -0.318 0.932 491 HG LEU 6 HG LEU 6 1.875 -1.770 2.574 492 1HD1 LEU 6 1HD1 LEU 6 3.832 -2.400 3.925 493 2HD1 LEU 6 2HD1 LEU 6 3.927 -0.738 4.563 494 3HD1 LEU 6 3HD1 LEU 6 2.524 -1.790 4.888 495 1HD2 LEU 6 1HD2 LEU 6 2.314 0.976 3.782 496 2HD2 LEU 6 2HD2 LEU 6 1.523 0.801 2.215 497 3HD2 LEU 6 3HD2 LEU 6 0.798 0.049 3.605 498 H LEU 7 H LEU 7 6.947 -1.478 0.391 499 HA LEU 7 HA LEU 7 6.244 -1.018 -2.382 500 1HB LEU 7 1HB LEU 7 6.779 1.133 -2.106 501 2HB LEU 7 2HB LEU 7 7.740 0.862 -0.682 502 HG LEU 7 HG LEU 7 9.617 -0.006 -2.185 503 1HD1 LEU 7 1HD1 LEU 7 8.242 -0.535 -4.202 504 2HD1 LEU 7 2HD1 LEU 7 7.798 1.172 -4.339 505 3HD1 LEU 7 3HD1 LEU 7 9.484 0.670 -4.570 506 1HD2 LEU 7 1HD2 LEU 7 8.581 2.828 -2.479 507 2HD2 LEU 7 2HD2 LEU 7 9.646 2.200 -1.209 508 3HD2 LEU 7 3HD2 LEU 7 10.237 2.289 -2.874 509 H LYS 8 H LYS 8 8.994 -1.677 -0.186 510 HA LYS 8 HA LYS 8 10.508 -3.052 -2.031 511 1HB LYS 8 1HB LYS 8 11.441 -2.326 0.011 512 2HB LYS 8 2HB LYS 8 10.320 -3.307 0.968 513 1HG LYS 8 1HG LYS 8 12.102 -4.804 -0.914 514 2HG LYS 8 2HG LYS 8 12.889 -4.000 0.453 515 1HD LYS 8 1HD LYS 8 11.544 -5.152 2.086 516 2HD LYS 8 2HD LYS 8 10.455 -5.788 0.863 517 1HE LYS 8 1HE LYS 8 11.947 -7.538 1.626 518 2HE LYS 8 2HE LYS 8 12.216 -7.198 -0.090 519 1HZ LYS 8 1HZ LYS 8 14.120 -5.892 0.537 520 2HZ LYS 8 2HZ LYS 8 13.852 -6.188 2.138 521 3HZ LYS 8 3HZ LYS 8 14.259 -7.425 1.127 522 H LEU 9 H LEU 9 7.976 -4.408 0.122 523 HA LEU 9 HA LEU 9 8.430 -7.131 -0.843 524 1HB LEU 9 1HB LEU 9 6.123 -5.941 0.761 525 2HB LEU 9 2HB LEU 9 6.287 -7.637 0.369 526 HG LEU 9 HG LEU 9 8.389 -6.155 1.993 527 1HD1 LEU 9 1HD1 LEU 9 6.224 -6.089 3.165 528 2HD1 LEU 9 2HD1 LEU 9 6.023 -7.837 2.929 529 3HD1 LEU 9 3HD1 LEU 9 7.331 -7.219 3.962 530 1HD2 LEU 9 1HD2 LEU 9 7.767 -9.124 1.569 531 2HD2 LEU 9 2HD2 LEU 9 9.184 -8.267 0.931 532 3HD2 LEU 9 3HD2 LEU 9 8.997 -8.484 2.674 533 H GLU 10 H GLU 10 6.866 -4.351 -2.191 534 HA GLU 10 HA GLU 10 4.933 -5.924 -3.728 535 1HB GLU 10 1HB GLU 10 5.881 -3.139 -4.362 536 2HB GLU 10 2HB GLU 10 4.362 -3.956 -4.701 537 1HG GLU 10 1HG GLU 10 5.183 -3.136 -1.876 538 2HG GLU 10 2HG GLU 10 4.343 -2.064 -2.987 539 H LEU 11 H LEU 11 8.108 -4.334 -4.025 540 HA LEU 11 HA LEU 11 8.507 -4.425 -6.750 541 1HB LEU 11 1HB LEU 11 10.144 -3.945 -4.452 542 2HB LEU 11 2HB LEU 11 10.975 -5.213 -5.337 543 HG LEU 11 HG LEU 11 10.610 -3.675 -7.438 544 1HD1 LEU 11 1HD1 LEU 11 9.046 -2.095 -6.256 545 2HD1 LEU 11 2HD1 LEU 11 10.363 -1.660 -5.148 546 3HD1 LEU 11 3HD1 LEU 11 10.489 -1.269 -6.874 547 1HD2 LEU 11 1HD2 LEU 11 12.547 -2.958 -5.195 548 2HD2 LEU 11 2HD2 LEU 11 12.804 -4.164 -6.476 549 3HD2 LEU 11 3HD2 LEU 11 12.696 -2.445 -6.891 550 H GLN 12 H GLN 12 9.343 -7.003 -4.447 551 HA GLN 12 HA GLN 12 10.379 -8.889 -6.287 552 1HB GLN 12 1HB GLN 12 9.570 -10.599 -4.568 553 2HB GLN 12 2HB GLN 12 10.680 -9.360 -3.964 554 1HG GLN 12 1HG GLN 12 8.962 -8.168 -2.854 555 2HG GLN 12 2HG GLN 12 7.685 -8.992 -3.763 556 1HE2 GLN 12 2HE2 GLN 12 6.749 -9.215 -1.618 557 2HE2 GLN 12 1HE2 GLN 12 7.215 -10.626 -0.663 558 H LEU 13 H LEU 13 7.014 -7.987 -5.721 559 HA LEU 13 HA LEU 13 5.902 -10.433 -6.825 560 1HB LEU 13 1HB LEU 13 4.451 -7.803 -6.367 561 2HB LEU 13 2HB LEU 13 3.789 -9.428 -6.525 562 HG LEU 13 HG LEU 13 5.490 -8.345 -4.271 563 1HD1 LEU 13 1HD1 LEU 13 3.206 -7.612 -4.275 564 2HD1 LEU 13 2HD1 LEU 13 2.603 -9.285 -4.338 565 3HD1 LEU 13 3HD1 LEU 13 3.487 -8.719 -2.906 566 1HD2 LEU 13 1HD2 LEU 13 4.366 -11.134 -4.640 567 2HD2 LEU 13 2HD2 LEU 13 6.095 -10.724 -4.567 568 3HD2 LEU 13 3HD2 LEU 13 5.095 -10.507 -3.131 569 H ILE 14 H ILE 14 6.269 -6.978 -7.805 570 HA ILE 14 HA ILE 14 5.197 -7.344 -10.438 571 HB ILE 14 HB ILE 14 7.017 -5.345 -9.094 572 1HG1 ILE 14 1HG1 ILE 14 5.224 -3.836 -9.535 573 2HG1 ILE 14 2HG1 ILE 14 4.488 -4.906 -10.735 574 1HG2 ILE 14 1HG2 ILE 14 8.050 -5.469 -11.313 575 2HG2 ILE 14 2HG2 ILE 14 6.455 -5.360 -12.091 576 3HG2 ILE 14 3HG2 ILE 14 7.098 -3.991 -11.170 577 1HD1 ILE 14 1HD1 ILE 14 3.756 -6.448 -8.958 578 2HD1 ILE 14 2HD1 ILE 14 4.588 -5.445 -7.742 579 3HD1 ILE 14 3HD1 ILE 14 3.208 -4.812 -8.663 580 H LYS 15 H LYS 15 8.479 -8.034 -9.191 581 HA LYS 15 HA LYS 15 9.474 -8.863 -11.750 582 1HB LYS 15 1HB LYS 15 10.455 -8.519 -9.067 583 2HB LYS 15 2HB LYS 15 10.644 -10.211 -9.443 584 1HG LYS 15 1HG LYS 15 12.658 -9.113 -10.165 585 2HG LYS 15 2HG LYS 15 11.747 -9.448 -11.647 586 1HD LYS 15 1HD LYS 15 10.740 -7.024 -11.287 587 2HD LYS 15 2HD LYS 15 12.055 -6.814 -10.126 588 1HE LYS 15 1HE LYS 15 13.696 -7.367 -11.965 589 2HE LYS 15 2HE LYS 15 12.331 -7.523 -13.091 590 1HZ LYS 15 1HZ LYS 15 11.783 -5.238 -12.640 591 2HZ LYS 15 2HZ LYS 15 13.082 -5.087 -11.637 592 3HZ LYS 15 3HZ LYS 15 13.309 -5.379 -13.244 593 H GLN 16 H GLN 16 7.994 -10.667 -8.991 594 HA GLN 16 HA GLN 16 8.306 -13.215 -10.332 595 1HB GLN 16 1HB GLN 16 6.899 -12.272 -7.846 596 2HB GLN 16 2HB GLN 16 6.363 -13.781 -8.583 597 1HG GLN 16 1HG GLN 16 8.013 -14.317 -6.938 598 2HG GLN 16 2HG GLN 16 8.634 -14.695 -8.540 599 1HE2 GLN 16 2HE2 GLN 16 9.247 -12.982 -5.599 600 2HE2 GLN 16 1HE2 GLN 16 10.696 -12.168 -6.166 601 H TYR 17 H TYR 17 5.945 -10.709 -10.592 602 HA TYR 17 HA TYR 17 3.825 -12.186 -11.832 603 1HB TYR 17 1HB TYR 17 4.627 -9.307 -11.432 604 2HB TYR 17 2HB TYR 17 3.688 -9.642 -12.833 605 HD1 TYR 17 HD1 TYR 17 1.396 -10.517 -12.788 606 HD2 TYR 17 HD2 TYR 17 3.437 -8.882 -9.373 607 HE1 TYR 17 HE1 TYR 17 -0.768 -10.039 -11.713 608 HE2 TYR 17 HE2 TYR 17 1.284 -8.352 -8.333 609 HH TYR 17 HH TYR 17 -1.839 -9.346 -9.747 610 H ARG 18 H ARG 18 6.926 -10.881 -12.898 611 HA ARG 18 HA ARG 18 6.259 -11.100 -15.748 612 1HB ARG 18 1HB ARG 18 8.957 -10.719 -14.403 613 2HB ARG 18 2HB ARG 18 8.657 -10.769 -16.143 614 1HG ARG 18 1HG ARG 18 7.056 -8.825 -15.875 615 2HG ARG 18 2HG ARG 18 7.539 -8.756 -14.177 616 1HD ARG 18 1HD ARG 18 9.969 -8.550 -15.032 617 2HD ARG 18 2HD ARG 18 9.246 -8.307 -16.642 618 HE ARG 18 HE ARG 18 8.182 -6.592 -14.516 619 1HH1 ARG 18 1HH2 ARG 18 10.686 -6.889 -16.987 620 2HH1 ARG 18 2HH2 ARG 18 11.024 -5.182 -17.064 621 1HH2 ARG 18 1HH1 ARG 18 8.623 -4.373 -14.565 622 2HH2 ARG 18 2HH1 ARG 18 9.827 -3.711 -15.634 623 H GLU 19 H GLU 19 8.092 -12.783 -13.296 624 HA GLU 19 HA GLU 19 8.979 -15.017 -14.759 625 1HB GLU 19 1HB GLU 19 9.522 -14.259 -12.352 626 2HB GLU 19 2HB GLU 19 8.090 -15.196 -11.877 627 1HG GLU 19 1HG GLU 19 9.093 -17.235 -12.728 628 2HG GLU 19 2HG GLU 19 10.420 -16.336 -13.476 629 H ALA 20 H ALA 20 5.848 -14.499 -13.032 630 HA ALA 20 HA ALA 20 4.785 -17.035 -13.872 631 1HB ALA 20 1HB ALA 20 3.732 -16.121 -12.004 632 2HB ALA 20 2HB ALA 20 3.743 -14.492 -12.687 633 3HB ALA 20 3HB ALA 20 2.591 -15.710 -13.302 634 H LEU 21 H LEU 21 4.389 -13.738 -15.144 635 HA LEU 21 HA LEU 21 2.565 -14.189 -17.169 636 1HB LEU 21 1HB LEU 21 3.361 -11.984 -16.606 637 2HB LEU 21 2HB LEU 21 5.011 -12.425 -17.053 638 HG LEU 21 HG LEU 21 4.301 -12.621 -19.448 639 1HD1 LEU 21 1HD1 LEU 21 1.845 -12.939 -19.056 640 2HD1 LEU 21 2HD1 LEU 21 1.763 -11.290 -18.402 641 3HD1 LEU 21 3HD1 LEU 21 2.180 -11.552 -20.105 642 1HD2 LEU 21 1HD2 LEU 21 3.974 -9.999 -17.947 643 2HD2 LEU 21 2HD2 LEU 21 5.471 -10.685 -18.595 644 3HD2 LEU 21 3HD2 LEU 21 4.209 -10.138 -19.712 645 H GLU 22 H GLU 22 6.041 -15.050 -17.202 646 HA GLU 22 HA GLU 22 5.956 -15.588 -20.041 647 1HB GLU 22 1HB GLU 22 8.176 -16.563 -19.840 648 2HB GLU 22 2HB GLU 22 8.053 -14.886 -19.281 649 1HG GLU 22 1HG GLU 22 8.077 -15.569 -16.990 650 2HG GLU 22 2HG GLU 22 8.015 -17.293 -17.424 651 H TYR 23 H TYR 23 5.576 -17.503 -17.096 652 HA TYR 23 HA TYR 23 5.456 -20.083 -18.421 653 1HB TYR 23 1HB TYR 23 4.976 -18.967 -15.701 654 2HB TYR 23 2HB TYR 23 3.857 -20.233 -16.147 655 HD1 TYR 23 HD1 TYR 23 4.716 -22.482 -16.941 656 HD2 TYR 23 HD2 TYR 23 7.201 -19.551 -14.979 657 HE1 TYR 23 HE1 TYR 23 6.337 -24.259 -16.333 658 HE2 TYR 23 HE2 TYR 23 8.814 -21.322 -14.379 659 HH TYR 23 HH TYR 23 9.363 -23.543 -14.582 660 H VAL 24 H VAL 24 3.109 -17.603 -17.466 661 HA VAL 24 HA VAL 24 0.900 -19.408 -18.233 662 HB VAL 24 HB VAL 24 0.997 -16.853 -16.582 663 1HG1 VAL 24 1HG1 VAL 24 -1.220 -16.919 -17.675 664 2HG1 VAL 24 2HG1 VAL 24 -1.366 -18.659 -17.349 665 3HG1 VAL 24 3HG1 VAL 24 -1.397 -17.495 -16.016 666 1HG2 VAL 24 1HG2 VAL 24 0.459 -19.763 -15.902 667 2HG2 VAL 24 2HG2 VAL 24 1.942 -18.851 -15.525 668 3HG2 VAL 24 3HG2 VAL 24 0.407 -18.369 -14.803 669 H LYS 25 H LYS 25 2.455 -16.640 -19.623 670 HA LYS 25 HA LYS 25 2.019 -15.407 -21.470 671 1HB LYS 25 1HB LYS 25 1.131 -18.200 -22.281 672 2HB LYS 25 2HB LYS 25 1.301 -16.895 -23.453 673 1HG LYS 25 1HG LYS 25 3.575 -17.788 -21.639 674 2HG LYS 25 2HG LYS 25 3.279 -18.442 -23.251 675 1HD LYS 25 1HD LYS 25 3.412 -16.123 -24.214 676 2HD LYS 25 2HD LYS 25 3.855 -15.508 -22.606 677 1HE LYS 25 1HE LYS 25 5.843 -16.986 -22.579 678 2HE LYS 25 2HE LYS 25 5.438 -17.557 -24.208 679 1HZ LYS 25 1HZ LYS 25 5.651 -15.299 -24.977 680 2HZ LYS 25 2HZ LYS 25 6.026 -14.776 -23.458 681 3HZ LYS 25 3HZ LYS 25 7.046 -15.797 -24.252 682 H LEU 26 H LEU 26 0.279 -14.433 -19.945 683 HA LEU 26 HA LEU 26 -2.242 -14.310 -21.530 684 1HB LEU 26 1HB LEU 26 -2.213 -15.755 -19.413 685 2HB LEU 26 2HB LEU 26 -2.182 -14.251 -18.495 686 HG LEU 26 HG LEU 26 -4.298 -14.926 -20.601 687 1HD1 LEU 26 1HD1 LEU 26 -4.280 -16.697 -18.886 688 2HD1 LEU 26 2HD1 LEU 26 -4.354 -15.479 -17.598 689 3HD1 LEU 26 3HD1 LEU 26 -5.720 -15.684 -18.718 690 1HD2 LEU 26 1HD2 LEU 26 -4.270 -13.013 -18.221 691 2HD2 LEU 26 2HD2 LEU 26 -4.215 -12.544 -19.936 692 3HD2 LEU 26 3HD2 LEU 26 -5.667 -13.306 -19.280 693 HA PRO 27 HA PRO 27 -0.521 -10.186 -21.541 694 1HB PRO 27 1HB PRO 27 -2.667 -8.723 -22.545 695 2HB PRO 27 2HB PRO 27 -1.549 -9.711 -23.521 696 1HG PRO 27 1HG PRO 27 -4.272 -10.498 -22.467 697 2HG PRO 27 2HG PRO 27 -3.615 -10.744 -24.108 698 1HD PRO 27 1HD PRO 27 -3.606 -12.740 -22.300 699 2HD PRO 27 2HD PRO 27 -2.183 -12.508 -23.357 700 H VAL 28 H VAL 28 -3.798 -10.617 -20.218 701 HA VAL 28 HA VAL 28 -4.024 -8.282 -18.766 702 HB VAL 28 HB VAL 28 -5.140 -10.932 -17.955 703 1HG1 VAL 28 1HG1 VAL 28 -5.416 -9.246 -16.211 704 2HG1 VAL 28 2HG1 VAL 28 -6.079 -8.097 -17.388 705 3HG1 VAL 28 3HG1 VAL 28 -6.969 -9.577 -16.976 706 1HG2 VAL 28 1HG2 VAL 28 -6.220 -8.825 -19.881 707 2HG2 VAL 28 2HG2 VAL 28 -5.773 -10.492 -20.305 708 3HG2 VAL 28 3HG2 VAL 28 -7.160 -10.195 -19.261 709 H LEU 29 H LEU 29 -2.025 -11.155 -17.868 710 HA LEU 29 HA LEU 29 -1.719 -10.529 -15.103 711 1HB LEU 29 1HB LEU 29 -0.096 -11.955 -17.265 712 2HB LEU 29 2HB LEU 29 0.565 -11.706 -15.684 713 HG LEU 29 HG LEU 29 -2.077 -13.154 -16.143 714 1HD1 LEU 29 1HD1 LEU 29 -0.795 -15.220 -15.821 715 2HD1 LEU 29 2HD1 LEU 29 -0.166 -14.359 -17.242 716 3HD1 LEU 29 3HD1 LEU 29 0.718 -14.309 -15.700 717 1HD2 LEU 29 1HD2 LEU 29 -0.122 -12.928 -13.818 718 2HD2 LEU 29 2HD2 LEU 29 -1.774 -12.287 -13.846 719 3HD2 LEU 29 3HD2 LEU 29 -1.504 -14.041 -13.839 720 H ALA 30 H ALA 30 0.228 -9.659 -17.971 721 HA ALA 30 HA ALA 30 2.020 -8.023 -16.510 722 1HB ALA 30 1HB ALA 30 2.689 -7.140 -18.699 723 2HB ALA 30 2HB ALA 30 2.315 -8.862 -18.928 724 3HB ALA 30 3HB ALA 30 1.149 -7.635 -19.430 725 H LYS 31 H LYS 31 -1.224 -7.433 -17.811 726 HA LYS 31 HA LYS 31 -0.971 -4.549 -17.560 727 1HB LYS 31 1HB LYS 31 -2.467 -5.647 -19.179 728 2HB LYS 31 2HB LYS 31 -3.467 -6.238 -17.846 729 1HG LYS 31 1HG LYS 31 -2.894 -3.286 -17.898 730 2HG LYS 31 2HG LYS 31 -3.889 -3.880 -19.226 731 1HD LYS 31 1HD LYS 31 -4.517 -4.541 -16.317 732 2HD LYS 31 2HD LYS 31 -5.113 -3.077 -17.107 733 1HE LYS 31 1HE LYS 31 -6.351 -4.320 -18.755 734 2HE LYS 31 2HE LYS 31 -5.594 -5.851 -18.298 735 1HZ LYS 31 1HZ LYS 31 -6.653 -5.706 -16.181 736 2HZ LYS 31 2HZ LYS 31 -7.371 -4.277 -16.582 737 3HZ LYS 31 3HZ LYS 31 -7.767 -5.657 -17.392 738 H ILE 32 H ILE 32 -1.841 -7.183 -15.380 739 HA ILE 32 HA ILE 32 -3.087 -5.411 -13.442 740 HB ILE 32 HB ILE 32 -2.254 -8.340 -13.367 741 1HG1 ILE 32 1HG1 ILE 32 -5.049 -7.162 -13.091 742 2HG1 ILE 32 2HG1 ILE 32 -4.371 -7.511 -14.680 743 1HG2 ILE 32 1HG2 ILE 32 -1.977 -7.386 -11.123 744 2HG2 ILE 32 2HG2 ILE 32 -3.543 -6.589 -11.224 745 3HG2 ILE 32 3HG2 ILE 32 -3.460 -8.348 -11.135 746 1HD1 ILE 32 1HD1 ILE 32 -4.059 -9.880 -14.074 747 2HD1 ILE 32 2HD1 ILE 32 -4.738 -9.574 -12.460 748 3HD1 ILE 32 3HD1 ILE 32 -5.751 -9.371 -13.889 749 H LEU 33 H LEU 33 -0.006 -7.226 -13.904 750 HA LEU 33 HA LEU 33 1.245 -6.235 -11.519 751 1HB LEU 33 1HB LEU 33 3.130 -7.256 -12.236 752 2HB LEU 33 2HB LEU 33 1.910 -8.083 -13.217 753 HG LEU 33 HG LEU 33 2.478 -6.570 -15.081 754 1HD1 LEU 33 1HD1 LEU 33 3.718 -4.782 -14.648 755 2HD1 LEU 33 2HD1 LEU 33 4.353 -5.481 -13.134 756 3HD1 LEU 33 3HD1 LEU 33 5.083 -5.894 -14.709 757 1HD2 LEU 33 1HD2 LEU 33 4.764 -8.278 -14.098 758 2HD2 LEU 33 2HD2 LEU 33 3.273 -8.926 -14.846 759 3HD2 LEU 33 3HD2 LEU 33 4.359 -7.892 -15.784 760 H GLU 34 H GLU 34 0.911 -4.761 -14.799 761 HA GLU 34 HA GLU 34 2.627 -2.558 -14.327 762 1HB GLU 34 1HB GLU 34 1.557 -3.349 -16.502 763 2HB GLU 34 2HB GLU 34 0.118 -2.453 -16.041 764 1HG GLU 34 1HG GLU 34 2.935 -1.283 -16.296 765 2HG GLU 34 2HG GLU 34 1.725 -1.265 -17.586 766 H ASP 35 H ASP 35 -0.910 -2.834 -14.005 767 HA ASP 35 HA ASP 35 -1.410 -0.268 -12.909 768 1HB ASP 35 1HB ASP 35 -3.200 -1.729 -13.625 769 2HB ASP 35 2HB ASP 35 -2.803 -2.901 -12.345 770 H GLU 36 H GLU 36 -0.725 -3.337 -11.191 771 HA GLU 36 HA GLU 36 -0.585 -2.366 -8.554 772 1HB GLU 36 1HB GLU 36 1.124 -4.495 -9.877 773 2HB GLU 36 2HB GLU 36 0.982 -4.241 -8.143 774 1HG GLU 36 1HG GLU 36 -1.495 -4.843 -9.817 775 2HG GLU 36 2HG GLU 36 -0.407 -6.136 -9.297 776 H GLU 37 H GLU 37 2.038 -2.468 -11.123 777 HA GLU 37 HA GLU 37 4.081 -1.347 -9.650 778 1HB GLU 37 1HB GLU 37 3.675 -2.146 -12.261 779 2HB GLU 37 2HB GLU 37 3.842 -0.408 -12.475 780 1HG GLU 37 1HG GLU 37 5.792 -2.078 -10.842 781 2HG GLU 37 2HG GLU 37 5.818 -2.013 -12.600 782 H LYS 38 H LYS 38 1.418 0.347 -11.368 783 HA LYS 38 HA LYS 38 2.421 2.962 -10.761 784 1HB LYS 38 1HB LYS 38 0.673 2.378 -12.491 785 2HB LYS 38 2HB LYS 38 -0.463 2.108 -11.169 786 1HG LYS 38 1HG LYS 38 0.551 4.623 -10.525 787 2HG LYS 38 2HG LYS 38 0.611 4.673 -12.281 788 1HD LYS 38 1HD LYS 38 -1.782 4.268 -12.432 789 2HD LYS 38 2HD LYS 38 -1.878 3.823 -10.715 790 1HE LYS 38 1HE LYS 38 -1.249 6.097 -10.026 791 2HE LYS 38 2HE LYS 38 -1.110 6.603 -11.722 792 1HZ LYS 38 1HZ LYS 38 -3.435 6.153 -11.981 793 2HZ LYS 38 2HZ LYS 38 -3.562 5.625 -10.424 794 3HZ LYS 38 3HZ LYS 38 -3.206 7.205 -10.733 795 H HIS 39 H HIS 39 0.031 0.861 -9.031 796 HA HIS 39 HA HIS 39 -0.529 2.748 -6.951 797 1HB HIS 39 1HB HIS 39 -0.609 -0.277 -7.045 798 2HB HIS 39 2HB HIS 39 -1.033 0.626 -5.594 799 HD1 HIS 39 HD1 HIS 39 -3.152 2.398 -5.883 800 HD2 HIS 39 HD2 HIS 39 -2.536 -0.540 -8.822 801 HE1 HIS 39 HE1 HIS 39 -5.381 2.156 -7.152 802 HE2 HIS 39 HE2 HIS 39 -4.996 0.333 -8.921 803 H ILE 40 H ILE 40 2.011 0.293 -7.235 804 HA ILE 40 HA ILE 40 3.260 0.699 -4.685 805 HB ILE 40 HB ILE 40 4.312 -0.337 -7.342 806 1HG1 ILE 40 1HG1 ILE 40 3.459 -1.942 -4.917 807 2HG1 ILE 40 2HG1 ILE 40 2.283 -1.522 -6.106 808 1HG2 ILE 40 1HG2 ILE 40 6.191 0.303 -5.894 809 2HG2 ILE 40 2HG2 ILE 40 5.471 -0.575 -4.531 810 3HG2 ILE 40 3HG2 ILE 40 6.074 -1.449 -5.954 811 1HD1 ILE 40 1HD1 ILE 40 3.565 -2.600 -7.896 812 2HD1 ILE 40 2HD1 ILE 40 4.795 -3.112 -6.742 813 3HD1 ILE 40 3HD1 ILE 40 3.123 -3.713 -6.597 814 H GLU 41 H GLU 41 3.781 2.072 -7.929 815 HA GLU 41 HA GLU 41 5.993 3.698 -7.417 816 1HB GLU 41 1HB GLU 41 5.029 3.172 -9.661 817 2HB GLU 41 2HB GLU 41 3.678 4.254 -9.332 818 1HG GLU 41 1HG GLU 41 6.475 5.311 -9.080 819 2HG GLU 41 2HG GLU 41 5.787 5.016 -10.689 820 H TRP 42 H TRP 42 2.499 4.258 -6.755 821 HA TRP 42 HA TRP 42 2.624 6.925 -6.061 822 1HB TRP 42 1HB TRP 42 0.689 5.147 -6.171 823 2HB TRP 42 2HB TRP 42 1.015 4.943 -4.455 824 HD1 TRP 42 HD1 TRP 42 -0.332 7.468 -6.928 825 HE1 TRP 42 HE1 TRP 42 -1.360 9.465 -5.697 826 HE3 TRP 42 HE3 TRP 42 1.125 6.193 -2.278 827 HZ2 TRP 42 HZ2 TRP 42 -1.338 10.487 -2.888 828 HZ3 TRP 42 HZ3 TRP 42 0.576 7.632 -0.304 829 HH2 TRP 42 HH2 TRP 42 -0.521 9.840 -0.638 830 H LEU 43 H LEU 43 3.676 4.078 -4.236 831 HA LEU 43 HA LEU 43 4.234 5.534 -1.766 832 1HB LEU 43 1HB LEU 43 5.192 2.797 -2.695 833 2HB LEU 43 2HB LEU 43 5.574 3.551 -1.163 834 HG LEU 43 HG LEU 43 2.802 3.824 -1.220 835 1HD1 LEU 43 1HD1 LEU 43 2.608 2.406 -3.201 836 2HD1 LEU 43 2HD1 LEU 43 3.555 1.125 -2.430 837 3HD1 LEU 43 3HD1 LEU 43 1.953 1.551 -1.798 838 1HD2 LEU 43 1HD2 LEU 43 4.529 1.592 -0.062 839 2HD2 LEU 43 2HD2 LEU 43 4.150 3.136 0.718 840 3HD2 LEU 43 3HD2 LEU 43 2.858 1.956 0.432 841 H GLU 44 H GLU 44 5.987 5.053 -4.841 842 HA GLU 44 HA GLU 44 8.435 6.243 -3.617 843 1HB GLU 44 1HB GLU 44 7.904 5.210 -6.432 844 2HB GLU 44 2HB GLU 44 9.397 5.974 -5.870 845 1HG GLU 44 1HG GLU 44 9.545 4.240 -4.053 846 2HG GLU 44 2HG GLU 44 8.230 3.364 -4.870 847 H THR 45 H THR 45 5.754 7.681 -3.848 848 HA THR 45 HA THR 45 7.083 10.115 -4.891 849 HB THR 45 HB THR 45 5.518 8.807 -6.597 850 HG1 THR 45 HG1 THR 45 6.598 10.670 -7.080 851 1HG2 THR 45 1HG2 THR 45 3.452 8.879 -5.290 852 2HG2 THR 45 2HG2 THR 45 3.477 10.656 -5.360 853 3HG2 THR 45 3HG2 THR 45 3.334 9.687 -6.846 854 H ILE 46 H ILE 46 4.262 8.766 -3.353 855 HA ILE 46 HA ILE 46 2.974 9.404 -1.633 856 HB ILE 46 HB ILE 46 4.812 8.228 -0.671 857 1HG1 ILE 46 1HG1 ILE 46 4.700 8.765 1.611 858 2HG1 ILE 46 2HG1 ILE 46 4.231 10.439 1.321 859 1HG2 ILE 46 1HG2 ILE 46 6.768 9.477 -1.271 860 2HG2 ILE 46 2HG2 ILE 46 6.237 10.884 -0.314 861 3HG2 ILE 46 3HG2 ILE 46 6.706 9.368 0.483 862 1HD1 ILE 46 1HD1 ILE 46 2.065 9.682 0.409 863 2HD1 ILE 46 2HD1 ILE 46 2.609 7.984 0.553 864 3HD1 ILE 46 3HD1 ILE 46 2.332 8.970 2.008 865 H LEU 47 H LEU 47 3.097 11.473 -3.427 866 HA LEU 47 HA LEU 47 3.672 13.953 -2.052 867 1HB LEU 47 1HB LEU 47 4.089 13.363 -4.473 868 2HB LEU 47 2HB LEU 47 2.361 13.560 -4.767 869 HG LEU 47 HG LEU 47 3.511 15.862 -3.294 870 1HD1 LEU 47 1HD1 LEU 47 5.566 15.224 -4.478 871 2HD1 LEU 47 2HD1 LEU 47 4.692 15.217 -6.025 872 3HD1 LEU 47 3HD1 LEU 47 4.901 16.735 -5.122 873 1HD2 LEU 47 1HD2 LEU 47 2.175 15.655 -6.029 874 2HD2 LEU 47 2HD2 LEU 47 1.326 15.898 -4.487 875 3HD2 LEU 47 3HD2 LEU 47 2.437 17.140 -5.090 876 H GLY 48 H GLY 48 0.857 11.963 -2.281 877 1HA GLY 48 1HA GLY 48 -1.228 12.283 -1.318 878 2HA GLY 48 2HA GLY 48 -0.756 13.905 -0.811 879 1HN NH2 49 1HN NH2 49 -1.092 15.703 -2.246 880 2HN NH2 49 2HN NH2 49 -2.092 15.542 -3.715 Start of MODEL 9 1 1H ACE 0 H1 ACE 0 -5.885 5.134 9.528 2 2H ACE 0 H2 ACE 0 -6.521 3.768 10.474 3 3H ACE 0 H3 ACE 0 -5.843 5.188 11.307 4 H ASP 1 H ASP 1 -4.839 1.834 10.531 5 HA ASP 1 HA ASP 1 -2.289 2.063 9.925 6 1HB ASP 1 1HB ASP 1 -1.982 3.923 11.309 7 2HB ASP 1 2HB ASP 1 -2.721 3.012 12.646 8 H TYR 2 H TYR 2 -4.389 1.045 12.616 9 HA TYR 2 HA TYR 2 -3.585 -1.784 12.194 10 1HB TYR 2 1HB TYR 2 -5.418 -0.264 14.103 11 2HB TYR 2 2HB TYR 2 -5.639 -1.962 13.786 12 HD1 TYR 2 HD1 TYR 2 -3.927 0.363 15.866 13 HD2 TYR 2 HD2 TYR 2 -3.521 -3.523 14.029 14 HE1 TYR 2 HE1 TYR 2 -2.172 -0.234 17.502 15 HE2 TYR 2 HE2 TYR 2 -1.706 -4.077 15.610 16 HH TYR 2 HH TYR 2 -0.808 -1.908 18.293 17 H LEU 3 H LEU 3 -6.395 0.426 12.109 18 HA LEU 3 HA LEU 3 -8.050 -1.387 10.854 19 1HB LEU 3 1HB LEU 3 -8.365 1.631 10.657 20 2HB LEU 3 2HB LEU 3 -9.625 0.412 10.545 21 HG LEU 3 HG LEU 3 -8.398 -0.064 13.076 22 1HD1 LEU 3 1HD1 LEU 3 -7.335 2.156 12.921 23 2HD1 LEU 3 2HD1 LEU 3 -8.912 2.911 12.611 24 3HD1 LEU 3 3HD1 LEU 3 -8.580 2.147 14.179 25 1HD2 LEU 3 1HD2 LEU 3 -10.990 1.349 12.352 26 2HD2 LEU 3 2HD2 LEU 3 -10.737 -0.392 12.655 27 3HD2 LEU 3 3HD2 LEU 3 -10.555 0.770 13.975 28 H ARG 4 H ARG 4 -5.543 0.304 9.260 29 HA ARG 4 HA ARG 4 -6.570 0.509 6.628 30 1HB ARG 4 1HB ARG 4 -4.260 0.021 5.878 31 2HB ARG 4 2HB ARG 4 -4.369 1.339 7.052 32 1HG ARG 4 1HG ARG 4 -3.494 0.003 8.809 33 2HG ARG 4 2HG ARG 4 -3.641 -1.493 7.919 34 1HD ARG 4 1HD ARG 4 -1.627 -1.310 7.047 35 2HD ARG 4 2HD ARG 4 -2.017 0.268 6.332 36 HE ARG 4 HE ARG 4 -1.360 0.264 9.202 37 1HH1 ARG 4 1HH2 ARG 4 0.061 0.134 5.995 38 2HH1 ARG 4 2HH2 ARG 4 1.522 0.976 6.432 39 1HH2 ARG 4 1HH1 ARG 4 0.499 1.486 9.797 40 2HH2 ARG 4 2HH1 ARG 4 1.786 1.725 8.655 41 H GLU 5 H GLU 5 -5.609 -2.346 8.521 42 HA GLU 5 HA GLU 5 -5.824 -4.142 6.169 43 1HB GLU 5 1HB GLU 5 -5.024 -4.506 9.080 44 2HB GLU 5 2HB GLU 5 -5.295 -5.871 7.996 45 1HG GLU 5 1HG GLU 5 -3.584 -5.156 6.452 46 2HG GLU 5 2HG GLU 5 -3.390 -3.603 7.264 47 H LEU 6 H LEU 6 -8.061 -2.560 7.921 48 HA LEU 6 HA LEU 6 -9.989 -4.796 7.855 49 1HB LEU 6 1HB LEU 6 -9.689 -2.588 9.887 50 2HB LEU 6 2HB LEU 6 -11.106 -3.643 9.751 51 HG LEU 6 HG LEU 6 -8.309 -4.759 10.234 52 1HD1 LEU 6 1HD1 LEU 6 -8.873 -3.351 12.093 53 2HD1 LEU 6 2HD1 LEU 6 -10.544 -3.927 12.080 54 3HD1 LEU 6 3HD1 LEU 6 -9.243 -5.022 12.579 55 1HD2 LEU 6 1HD2 LEU 6 -10.394 -6.372 11.159 56 2HD2 LEU 6 2HD2 LEU 6 -10.904 -5.922 9.540 57 3HD2 LEU 6 3HD2 LEU 6 -9.330 -6.702 9.770 58 H LEU 7 H LEU 7 -9.345 -2.999 5.662 59 HA LEU 7 HA LEU 7 -11.995 -2.209 5.153 60 1HB LEU 7 1HB LEU 7 -11.568 0.203 4.566 61 2HB LEU 7 2HB LEU 7 -11.780 -0.201 6.256 62 HG LEU 7 HG LEU 7 -8.996 -0.288 5.966 63 1HD1 LEU 7 1HD1 LEU 7 -9.202 0.725 3.670 64 2HD1 LEU 7 2HD1 LEU 7 -10.052 2.101 4.392 65 3HD1 LEU 7 3HD1 LEU 7 -8.362 1.772 4.828 66 1HD2 LEU 7 1HD2 LEU 7 -10.749 2.080 6.761 67 2HD2 LEU 7 2HD2 LEU 7 -10.336 0.718 7.816 68 3HD2 LEU 7 3HD2 LEU 7 -9.061 1.809 7.247 69 H LYS 8 H LYS 8 -8.634 -1.522 4.066 70 HA LYS 8 HA LYS 8 -9.454 -1.322 1.422 71 1HB LYS 8 1HB LYS 8 -7.296 -0.559 2.637 72 2HB LYS 8 2HB LYS 8 -6.638 -2.155 2.258 73 1HG LYS 8 1HG LYS 8 -6.790 -1.703 -0.123 74 2HG LYS 8 2HG LYS 8 -7.818 -0.282 0.154 75 1HD LYS 8 1HD LYS 8 -6.008 0.877 1.337 76 2HD LYS 8 2HD LYS 8 -4.931 -0.517 1.121 77 1HE LYS 8 1HE LYS 8 -4.928 -0.215 -1.296 78 2HE LYS 8 2HE LYS 8 -6.207 1.013 -1.200 79 1HZ LYS 8 1HZ LYS 8 -4.725 2.429 -0.025 80 2HZ LYS 8 2HZ LYS 8 -3.523 1.300 -0.049 81 3HZ LYS 8 3HZ LYS 8 -4.045 1.983 -1.456 82 H LEU 9 H LEU 9 -8.071 -4.016 3.207 83 HA LEU 9 HA LEU 9 -8.126 -6.001 1.119 84 1HB LEU 9 1HB LEU 9 -8.355 -6.310 4.149 85 2HB LEU 9 2HB LEU 9 -8.015 -7.593 2.982 86 HG LEU 9 HG LEU 9 -6.183 -5.200 3.451 87 1HD1 LEU 9 1HD1 LEU 9 -6.350 -6.646 5.456 88 2HD1 LEU 9 2HD1 LEU 9 -5.953 -8.064 4.472 89 3HD1 LEU 9 3HD1 LEU 9 -4.759 -6.769 4.692 90 1HD2 LEU 9 1HD2 LEU 9 -5.778 -7.832 1.947 91 2HD2 LEU 9 2HD2 LEU 9 -5.885 -6.218 1.207 92 3HD2 LEU 9 3HD2 LEU 9 -4.520 -6.620 2.256 93 H GLU 10 H GLU 10 -10.433 -4.968 3.663 94 HA GLU 10 HA GLU 10 -12.427 -6.871 3.200 95 1HB GLU 10 1HB GLU 10 -12.899 -3.957 3.938 96 2HB GLU 10 2HB GLU 10 -13.919 -5.354 4.152 97 1HG GLU 10 1HG GLU 10 -11.378 -4.804 5.663 98 2HG GLU 10 2HG GLU 10 -13.017 -4.842 6.307 99 H LEU 11 H LEU 11 -11.885 -3.700 1.566 100 HA LEU 11 HA LEU 11 -14.283 -3.819 -0.020 101 1HB LEU 11 1HB LEU 11 -12.439 -1.893 0.400 102 2HB LEU 11 2HB LEU 11 -11.694 -2.577 -1.035 103 HG LEU 11 HG LEU 11 -13.002 -0.682 -1.629 104 1HD1 LEU 11 1HD1 LEU 11 -14.494 -1.477 -3.314 105 2HD1 LEU 11 2HD1 LEU 11 -13.157 -2.639 -3.210 106 3HD1 LEU 11 3HD1 LEU 11 -14.743 -3.017 -2.488 107 1HD2 LEU 11 1HD2 LEU 11 -15.466 -1.943 -0.352 108 2HD2 LEU 11 2HD2 LEU 11 -14.475 -0.654 0.357 109 3HD2 LEU 11 3HD2 LEU 11 -15.351 -0.368 -1.152 110 H GLN 12 H GLN 12 -10.971 -5.112 -0.535 111 HA GLN 12 HA GLN 12 -11.299 -6.038 -3.130 112 1HB GLN 12 1HB GLN 12 -9.244 -6.142 -1.380 113 2HB GLN 12 2HB GLN 12 -9.861 -7.791 -1.162 114 1HG GLN 12 1HG GLN 12 -9.855 -7.888 -3.765 115 2HG GLN 12 2HG GLN 12 -8.832 -6.451 -3.681 116 1HE2 GLN 12 2HE2 GLN 12 -9.050 -9.938 -2.912 117 2HE2 GLN 12 1HE2 GLN 12 -7.329 -10.133 -2.645 118 H LEU 13 H LEU 13 -12.826 -7.258 -0.210 119 HA LEU 13 HA LEU 13 -13.429 -9.922 -1.133 120 1HB LEU 13 1HB LEU 13 -14.858 -8.306 0.990 121 2HB LEU 13 2HB LEU 13 -14.985 -10.022 0.679 122 HG LEU 13 HG LEU 13 -12.482 -8.591 1.656 123 1HD1 LEU 13 1HD1 LEU 13 -14.430 -8.606 3.174 124 2HD1 LEU 13 2HD1 LEU 13 -14.577 -10.356 3.013 125 3HD1 LEU 13 3HD1 LEU 13 -13.169 -9.631 3.812 126 1HD2 LEU 13 1HD2 LEU 13 -13.095 -11.474 0.923 127 2HD2 LEU 13 2HD2 LEU 13 -11.748 -10.456 0.386 128 3HD2 LEU 13 3HD2 LEU 13 -11.788 -11.071 2.036 129 H ILE 14 H ILE 14 -15.414 -6.967 -0.579 130 HA ILE 14 HA ILE 14 -17.727 -7.974 -1.974 131 HB ILE 14 HB ILE 14 -16.705 -5.185 -1.160 132 1HG1 ILE 14 1HG1 ILE 14 -19.008 -5.413 0.096 133 2HG1 ILE 14 2HG1 ILE 14 -18.916 -7.118 -0.278 134 1HG2 ILE 14 1HG2 ILE 14 -17.979 -4.791 -3.239 135 2HG2 ILE 14 2HG2 ILE 14 -19.308 -5.810 -2.642 136 3HG2 ILE 14 3HG2 ILE 14 -18.924 -4.272 -1.848 137 1HD1 ILE 14 1HD1 ILE 14 -16.863 -7.317 1.041 138 2HD1 ILE 14 2HD1 ILE 14 -16.771 -5.542 1.218 139 3HD1 ILE 14 3HD1 ILE 14 -18.081 -6.464 1.979 140 H LYS 15 H LYS 15 -14.839 -6.301 -2.993 141 HA LYS 15 HA LYS 15 -15.739 -5.960 -5.710 142 1HB LYS 15 1HB LYS 15 -13.548 -5.060 -4.428 143 2HB LYS 15 2HB LYS 15 -12.810 -6.461 -5.197 144 1HG LYS 15 1HG LYS 15 -12.490 -4.490 -6.538 145 2HG LYS 15 2HG LYS 15 -13.592 -5.558 -7.425 146 1HD LYS 15 1HD LYS 15 -15.480 -4.166 -6.970 147 2HD LYS 15 2HD LYS 15 -14.688 -3.391 -5.583 148 1HE LYS 15 1HE LYS 15 -13.149 -2.202 -7.084 149 2HE LYS 15 2HE LYS 15 -13.863 -3.008 -8.497 150 1HZ LYS 15 1HZ LYS 15 -15.931 -1.944 -7.983 151 2HZ LYS 15 2HZ LYS 15 -15.293 -1.232 -6.643 152 3HZ LYS 15 3HZ LYS 15 -14.744 -0.812 -8.137 153 H GLN 16 H GLN 16 -13.759 -8.601 -4.258 154 HA GLN 16 HA GLN 16 -13.629 -9.993 -6.799 155 1HB GLN 16 1HB GLN 16 -12.549 -11.800 -5.661 156 2HB GLN 16 2HB GLN 16 -11.900 -10.259 -5.066 157 1HG GLN 16 1HG GLN 16 -13.455 -10.446 -3.144 158 2HG GLN 16 2HG GLN 16 -13.961 -12.028 -3.662 159 1HE2 GLN 16 2HE2 GLN 16 -13.165 -12.386 -1.307 160 2HE2 GLN 16 1HE2 GLN 16 -11.467 -12.785 -1.133 161 H TYR 17 H TYR 17 -15.897 -10.020 -4.120 162 HA TYR 17 HA TYR 17 -17.358 -12.393 -4.763 163 1HB TYR 17 1HB TYR 17 -17.909 -9.800 -3.302 164 2HB TYR 17 2HB TYR 17 -19.240 -10.818 -3.728 165 HD1 TYR 17 HD1 TYR 17 -18.926 -13.439 -3.137 166 HD2 TYR 17 HD2 TYR 17 -17.417 -10.043 -0.972 167 HE1 TYR 17 HE1 TYR 17 -18.614 -14.847 -1.113 168 HE2 TYR 17 HE2 TYR 17 -17.034 -11.458 1.006 169 HH TYR 17 HH TYR 17 -16.777 -13.707 1.678 170 H ARG 18 H ARG 18 -17.260 -9.204 -6.229 171 HA ARG 18 HA ARG 18 -19.816 -9.715 -7.635 172 1HB ARG 18 1HB ARG 18 -17.903 -7.345 -7.601 173 2HB ARG 18 2HB ARG 18 -19.099 -7.571 -8.888 174 1HG ARG 18 1HG ARG 18 -20.871 -7.837 -7.112 175 2HG ARG 18 2HG ARG 18 -19.684 -7.284 -5.915 176 1HD ARG 18 1HD ARG 18 -19.693 -5.100 -6.758 177 2HD ARG 18 2HD ARG 18 -20.154 -5.629 -8.394 178 HE ARG 18 HE ARG 18 -22.236 -6.195 -6.492 179 1HH1 ARG 18 1HH2 ARG 18 -20.797 -3.549 -8.304 180 2HH1 ARG 18 2HH2 ARG 18 -22.302 -2.727 -8.615 181 1HH2 ARG 18 1HH1 ARG 18 -24.229 -5.178 -6.897 182 2HH2 ARG 18 2HH1 ARG 18 -24.308 -3.676 -7.775 183 H GLU 19 H GLU 19 -16.381 -9.813 -8.207 184 HA GLU 19 HA GLU 19 -16.592 -10.524 -10.982 185 1HB GLU 19 1HB GLU 19 -14.446 -9.901 -9.634 186 2HB GLU 19 2HB GLU 19 -14.435 -11.613 -9.175 187 1HG GLU 19 1HG GLU 19 -14.606 -12.136 -11.691 188 2HG GLU 19 2HG GLU 19 -14.309 -10.415 -11.973 189 H ALA 20 H ALA 20 -16.413 -12.539 -7.951 190 HA ALA 20 HA ALA 20 -16.477 -14.927 -9.596 191 1HB ALA 20 1HB ALA 20 -15.458 -14.508 -7.246 192 2HB ALA 20 2HB ALA 20 -17.054 -15.030 -6.660 193 3HB ALA 20 3HB ALA 20 -16.059 -16.112 -7.644 194 H LEU 21 H LEU 21 -18.981 -13.005 -7.982 195 HA LEU 21 HA LEU 21 -21.200 -14.578 -7.913 196 1HB LEU 21 1HB LEU 21 -21.271 -12.252 -7.324 197 2HB LEU 21 2HB LEU 21 -20.837 -11.765 -8.965 198 HG LEU 21 HG LEU 21 -23.041 -12.543 -9.796 199 1HD1 LEU 21 1HD1 LEU 21 -23.548 -14.293 -8.127 200 2HD1 LEU 21 2HD1 LEU 21 -23.570 -13.071 -6.842 201 3HD1 LEU 21 3HD1 LEU 21 -24.813 -13.057 -8.113 202 1HD2 LEU 21 1HD2 LEU 21 -23.093 -10.582 -7.467 203 2HD2 LEU 21 2HD2 LEU 21 -22.671 -10.215 -9.150 204 3HD2 LEU 21 3HD2 LEU 21 -24.323 -10.714 -8.748 205 H GLU 22 H GLU 22 -19.868 -13.111 -10.928 206 HA GLU 22 HA GLU 22 -22.080 -14.135 -12.502 207 1HB GLU 22 1HB GLU 22 -19.441 -12.873 -13.367 208 2HB GLU 22 2HB GLU 22 -20.776 -13.336 -14.433 209 1HG GLU 22 1HG GLU 22 -22.291 -11.849 -12.958 210 2HG GLU 22 2HG GLU 22 -20.794 -11.197 -12.265 211 H TYR 23 H TYR 23 -18.685 -15.135 -11.913 212 HA TYR 23 HA TYR 23 -18.717 -17.291 -13.798 213 1HB TYR 23 1HB TYR 23 -17.097 -16.541 -11.334 214 2HB TYR 23 2HB TYR 23 -16.855 -18.064 -12.134 215 HD1 TYR 23 HD1 TYR 23 -15.637 -14.779 -12.025 216 HD2 TYR 23 HD2 TYR 23 -16.653 -17.897 -14.832 217 HE1 TYR 23 HE1 TYR 23 -14.111 -13.780 -13.703 218 HE2 TYR 23 HE2 TYR 23 -15.163 -16.869 -16.511 219 HH TYR 23 HH TYR 23 -13.682 -15.176 -16.963 220 H VAL 24 H VAL 24 -19.871 -16.933 -10.490 221 HA VAL 24 HA VAL 24 -20.301 -19.821 -10.162 222 HB VAL 24 HB VAL 24 -20.829 -17.398 -8.429 223 1HG1 VAL 24 1HG1 VAL 24 -22.468 -19.086 -7.774 224 2HG1 VAL 24 2HG1 VAL 24 -21.226 -20.356 -7.784 225 3HG1 VAL 24 3HG1 VAL 24 -21.171 -19.063 -6.571 226 1HG2 VAL 24 1HG2 VAL 24 -18.826 -19.698 -8.143 227 2HG2 VAL 24 2HG2 VAL 24 -18.401 -18.112 -8.791 228 3HG2 VAL 24 3HG2 VAL 24 -18.937 -18.260 -7.112 229 H LYS 25 H LYS 25 -22.268 -16.975 -10.963 230 HA LYS 25 HA LYS 25 -24.466 -16.701 -11.450 231 1HB LYS 25 1HB LYS 25 -23.998 -19.485 -12.557 232 2HB LYS 25 2HB LYS 25 -25.581 -18.732 -12.648 233 1HG LYS 25 1HG LYS 25 -23.488 -16.891 -13.561 234 2HG LYS 25 2HG LYS 25 -23.491 -18.411 -14.456 235 1HD LYS 25 1HD LYS 25 -25.977 -18.134 -14.839 236 2HD LYS 25 2HD LYS 25 -25.912 -16.597 -13.960 237 1HE LYS 25 1HE LYS 25 -25.899 -16.168 -16.356 238 2HE LYS 25 2HE LYS 25 -24.328 -15.702 -15.677 239 1HZ LYS 25 1HZ LYS 25 -23.436 -17.759 -16.468 240 2HZ LYS 25 2HZ LYS 25 -24.903 -18.242 -17.044 241 3HZ LYS 25 3HZ LYS 25 -24.136 -16.948 -17.718 242 H LEU 26 H LEU 26 -24.385 -16.763 -8.908 243 HA LEU 26 HA LEU 26 -26.841 -18.269 -8.222 244 1HB LEU 26 1HB LEU 26 -24.892 -19.656 -7.494 245 2HB LEU 26 2HB LEU 26 -24.338 -18.291 -6.518 246 HG LEU 26 HG LEU 26 -26.587 -18.430 -5.281 247 1HD1 LEU 26 1HD1 LEU 26 -27.830 -19.860 -6.919 248 2HD1 LEU 26 2HD1 LEU 26 -26.675 -21.169 -6.620 249 3HD1 LEU 26 3HD1 LEU 26 -27.737 -20.600 -5.316 250 1HD2 LEU 26 1HD2 LEU 26 -24.724 -20.843 -5.152 251 2HD2 LEU 26 2HD2 LEU 26 -24.400 -19.276 -4.392 252 3HD2 LEU 26 3HD2 LEU 26 -25.780 -20.254 -3.851 253 HA PRO 27 HA PRO 27 -27.277 -14.046 -6.566 254 1HB PRO 27 1HB PRO 27 -29.948 -13.993 -6.084 255 2HB PRO 27 2HB PRO 27 -29.294 -14.042 -7.739 256 1HG PRO 27 1HG PRO 27 -30.253 -16.391 -6.078 257 2HG PRO 27 2HG PRO 27 -30.759 -15.956 -7.736 258 1HD PRO 27 1HD PRO 27 -28.806 -17.787 -7.238 259 2HD PRO 27 2HD PRO 27 -28.694 -16.693 -8.647 260 H VAL 28 H VAL 28 -26.133 -16.090 -4.942 261 HA VAL 28 HA VAL 28 -27.254 -15.477 -2.251 262 HB VAL 28 HB VAL 28 -25.738 -17.841 -3.245 263 1HG1 VAL 28 1HG1 VAL 28 -24.524 -17.271 -1.290 264 2HG1 VAL 28 2HG1 VAL 28 -26.008 -16.882 -0.385 265 3HG1 VAL 28 3HG1 VAL 28 -25.631 -18.560 -0.818 266 1HG2 VAL 28 1HG2 VAL 28 -28.261 -17.599 -1.549 267 2HG2 VAL 28 2HG2 VAL 28 -28.249 -17.932 -3.294 268 3HG2 VAL 28 3HG2 VAL 28 -27.555 -19.108 -2.163 269 H LEU 29 H LEU 29 -24.337 -15.740 -4.399 270 HA LEU 29 HA LEU 29 -22.500 -14.651 -2.541 271 1HB LEU 29 1HB LEU 29 -22.662 -15.022 -5.549 272 2HB LEU 29 2HB LEU 29 -21.533 -13.859 -4.884 273 HG LEU 29 HG LEU 29 -20.656 -15.655 -3.334 274 1HD1 LEU 29 1HD1 LEU 29 -22.487 -17.260 -3.417 275 2HD1 LEU 29 2HD1 LEU 29 -22.298 -17.437 -5.176 276 3HD1 LEU 29 3HD1 LEU 29 -21.028 -18.011 -4.074 277 1HD2 LEU 29 1HD2 LEU 29 -20.340 -16.137 -6.323 278 2HD2 LEU 29 2HD2 LEU 29 -19.462 -14.919 -5.372 279 3HD2 LEU 29 3HD2 LEU 29 -19.213 -16.642 -5.047 280 H ALA 30 H ALA 30 -24.682 -13.196 -5.004 281 HA ALA 30 HA ALA 30 -23.823 -10.568 -4.506 282 1HB ALA 30 1HB ALA 30 -25.230 -11.174 -6.460 283 2HB ALA 30 2HB ALA 30 -26.606 -11.481 -5.375 284 3HB ALA 30 3HB ALA 30 -25.947 -9.840 -5.540 285 H LYS 31 H LYS 31 -25.854 -12.662 -2.565 286 HA LYS 31 HA LYS 31 -26.996 -10.388 -1.069 287 1HB LYS 31 1HB LYS 31 -27.917 -12.977 -1.556 288 2HB LYS 31 2HB LYS 31 -27.308 -13.082 0.103 289 1HG LYS 31 1HG LYS 31 -28.645 -10.961 0.605 290 2HG LYS 31 2HG LYS 31 -29.317 -11.100 -1.033 291 1HD LYS 31 1HD LYS 31 -30.044 -13.502 -0.346 292 2HD LYS 31 2HD LYS 31 -29.581 -13.049 1.303 293 1HE LYS 31 1HE LYS 31 -31.945 -12.662 1.131 294 2HE LYS 31 2HE LYS 31 -31.179 -11.066 1.113 295 1HZ LYS 31 1HZ LYS 31 -31.394 -11.092 -1.289 296 2HZ LYS 31 2HZ LYS 31 -32.108 -12.573 -1.237 297 3HZ LYS 31 3HZ LYS 31 -32.862 -11.272 -0.566 298 H ILE 32 H ILE 32 -24.554 -12.875 -0.853 299 HA ILE 32 HA ILE 32 -23.910 -12.520 1.974 300 HB ILE 32 HB ILE 32 -22.406 -13.766 -0.364 301 1HG1 ILE 32 1HG1 ILE 32 -23.566 -14.995 2.183 302 2HG1 ILE 32 2HG1 ILE 32 -24.420 -14.927 0.646 303 1HG2 ILE 32 1HG2 ILE 32 -20.647 -12.896 1.007 304 2HG2 ILE 32 2HG2 ILE 32 -21.481 -13.355 2.496 305 3HG2 ILE 32 3HG2 ILE 32 -20.770 -14.589 1.441 306 1HD1 ILE 32 1HD1 ILE 32 -22.546 -16.231 -0.416 307 2HD1 ILE 32 2HD1 ILE 32 -21.848 -16.464 1.202 308 3HD1 ILE 32 3HD1 ILE 32 -23.446 -17.105 0.844 309 H LEU 33 H LEU 33 -22.715 -11.202 -1.165 310 HA LEU 33 HA LEU 33 -20.486 -9.922 0.007 311 1HB LEU 33 1HB LEU 33 -20.060 -9.190 -2.133 312 2HB LEU 33 2HB LEU 33 -20.974 -10.690 -2.348 313 HG LEU 33 HG LEU 33 -22.948 -9.378 -2.901 314 1HD1 LEU 33 1HD1 LEU 33 -22.912 -7.201 -2.282 315 2HD1 LEU 33 2HD1 LEU 33 -21.130 -7.153 -2.205 316 3HD1 LEU 33 3HD1 LEU 33 -21.972 -6.965 -3.763 317 1HD2 LEU 33 1HD2 LEU 33 -20.346 -8.914 -4.429 318 2HD2 LEU 33 2HD2 LEU 33 -21.349 -10.373 -4.533 319 3HD2 LEU 33 3HD2 LEU 33 -21.969 -8.833 -5.155 320 H GLU 34 H GLU 34 -23.846 -9.014 -0.537 321 HA GLU 34 HA GLU 34 -23.685 -6.266 0.084 322 1HB GLU 34 1HB GLU 34 -25.613 -7.708 -0.962 323 2HB GLU 34 2HB GLU 34 -26.079 -8.075 0.679 324 1HG GLU 34 1HG GLU 34 -25.777 -5.233 -0.420 325 2HG GLU 34 2HG GLU 34 -27.305 -6.119 -0.347 326 H ASP 35 H ASP 35 -24.571 -9.060 2.126 327 HA ASP 35 HA ASP 35 -24.916 -7.581 4.501 328 1HB ASP 35 1HB ASP 35 -25.484 -10.029 4.164 329 2HB ASP 35 2HB ASP 35 -23.770 -10.403 4.430 330 H GLU 36 H GLU 36 -21.960 -9.270 3.355 331 HA GLU 36 HA GLU 36 -20.187 -8.476 5.371 332 1HB GLU 36 1HB GLU 36 -19.640 -8.806 2.398 333 2HB GLU 36 2HB GLU 36 -18.406 -8.761 3.662 334 1HG GLU 36 1HG GLU 36 -20.599 -10.880 3.697 335 2HG GLU 36 2HG GLU 36 -19.104 -11.069 2.780 336 H GLU 37 H GLU 37 -21.147 -6.616 2.392 337 HA GLU 37 HA GLU 37 -19.437 -4.538 2.645 338 1HB GLU 37 1HB GLU 37 -21.440 -5.240 0.958 339 2HB GLU 37 2HB GLU 37 -22.347 -4.034 1.852 340 1HG GLU 37 1HG GLU 37 -19.566 -3.453 0.817 341 2HG GLU 37 2HG GLU 37 -20.934 -3.549 -0.288 342 H LYS 38 H LYS 38 -22.574 -4.942 4.354 343 HA LYS 38 HA LYS 38 -22.431 -2.374 5.678 344 1HB LYS 38 1HB LYS 38 -24.477 -3.670 5.326 345 2HB LYS 38 2HB LYS 38 -23.893 -4.945 6.389 346 1HG LYS 38 1HG LYS 38 -24.385 -3.825 8.295 347 2HG LYS 38 2HG LYS 38 -23.805 -2.272 7.698 348 1HD LYS 38 1HD LYS 38 -26.425 -3.483 6.736 349 2HD LYS 38 2HD LYS 38 -26.348 -2.492 8.198 350 1HE LYS 38 1HE LYS 38 -25.297 -1.506 5.497 351 2HE LYS 38 2HE LYS 38 -26.960 -1.249 6.039 352 1HZ LYS 38 1HZ LYS 38 -26.126 -0.071 7.925 353 2HZ LYS 38 2HZ LYS 38 -24.563 -0.325 7.468 354 3HZ LYS 38 3HZ LYS 38 -25.544 0.600 6.539 355 H HIS 39 H HIS 39 -21.459 -5.658 6.651 356 HA HIS 39 HA HIS 39 -20.546 -5.098 9.277 357 1HB HIS 39 1HB HIS 39 -19.796 -7.087 7.123 358 2HB HIS 39 2HB HIS 39 -18.863 -7.060 8.546 359 HD1 HIS 39 HD1 HIS 39 -20.514 -7.597 10.910 360 HD2 HIS 39 HD2 HIS 39 -22.045 -8.302 7.063 361 HE1 HIS 39 HE1 HIS 39 -22.669 -9.067 11.114 362 HE2 HIS 39 HE2 HIS 39 -23.562 -9.407 8.826 363 H ILE 40 H ILE 40 -18.935 -4.670 6.166 364 HA ILE 40 HA ILE 40 -16.403 -3.771 7.320 365 HB ILE 40 HB ILE 40 -17.546 -4.194 4.559 366 1HG1 ILE 40 1HG1 ILE 40 -15.105 -5.443 5.873 367 2HG1 ILE 40 2HG1 ILE 40 -16.673 -6.018 6.319 368 1HG2 ILE 40 1HG2 ILE 40 -16.060 -2.248 4.335 369 2HG2 ILE 40 2HG2 ILE 40 -14.777 -3.109 5.209 370 3HG2 ILE 40 3HG2 ILE 40 -15.337 -3.673 3.611 371 1HD1 ILE 40 1HD1 ILE 40 -17.271 -6.696 4.118 372 2HD1 ILE 40 2HD1 ILE 40 -15.813 -6.007 3.406 373 3HD1 ILE 40 3HD1 ILE 40 -15.703 -7.383 4.532 374 H GLU 41 H GLU 41 -19.298 -2.344 5.929 375 HA GLU 41 HA GLU 41 -18.507 0.270 5.426 376 1HB GLU 41 1HB GLU 41 -20.810 -0.764 5.001 377 2HB GLU 41 2HB GLU 41 -21.135 -0.538 6.737 378 1HG GLU 41 1HG GLU 41 -20.555 1.945 6.306 379 2HG GLU 41 2HG GLU 41 -20.690 1.530 4.588 380 H TRP 42 H TRP 42 -19.418 -1.352 8.496 381 HA TRP 42 HA TRP 42 -19.501 0.699 10.276 382 1HB TRP 42 1HB TRP 42 -19.662 -1.856 10.584 383 2HB TRP 42 2HB TRP 42 -17.913 -1.843 10.789 384 HD1 TRP 42 HD1 TRP 42 -21.126 -0.818 12.422 385 HE1 TRP 42 HE1 TRP 42 -20.718 0.222 14.763 386 HE3 TRP 42 HE3 TRP 42 -16.106 -0.643 12.264 387 HZ2 TRP 42 HZ2 TRP 42 -18.424 1.255 16.233 388 HZ3 TRP 42 HZ3 TRP 42 -14.772 0.435 14.094 389 HH2 TRP 42 HH2 TRP 42 -15.948 1.477 16.019 390 H LEU 43 H LEU 43 -16.577 -0.757 8.913 391 HA LEU 43 HA LEU 43 -14.682 0.867 10.478 392 1HB LEU 43 1HB LEU 43 -14.445 -1.074 8.113 393 2HB LEU 43 2HB LEU 43 -13.082 -0.197 8.763 394 HG LEU 43 HG LEU 43 -14.673 -1.550 10.867 395 1HD1 LEU 43 1HD1 LEU 43 -15.143 -3.188 9.208 396 2HD1 LEU 43 2HD1 LEU 43 -13.454 -3.308 8.714 397 3HD1 LEU 43 3HD1 LEU 43 -13.947 -3.844 10.322 398 1HD2 LEU 43 1HD2 LEU 43 -11.744 -1.487 10.081 399 2HD2 LEU 43 2HD2 LEU 43 -12.566 -0.470 11.262 400 3HD2 LEU 43 3HD2 LEU 43 -12.384 -2.205 11.572 401 H GLU 44 H GLU 44 -15.873 0.646 7.151 402 HA GLU 44 HA GLU 44 -14.434 3.068 6.320 403 1HB GLU 44 1HB GLU 44 -16.508 1.417 4.823 404 2HB GLU 44 2HB GLU 44 -15.493 2.695 4.147 405 1HG GLU 44 1HG GLU 44 -13.467 1.387 4.880 406 2HG GLU 44 2HG GLU 44 -14.535 0.023 5.269 407 H THR 45 H THR 45 -16.416 3.394 8.506 408 HA THR 45 HA THR 45 -17.642 5.809 7.410 409 HB THR 45 HB THR 45 -19.173 3.763 7.067 410 HG1 THR 45 HG1 THR 45 -19.858 6.281 8.087 411 1HG2 THR 45 1HG2 THR 45 -19.116 2.865 9.385 412 2HG2 THR 45 2HG2 THR 45 -20.061 4.263 9.902 413 3HG2 THR 45 3HG2 THR 45 -20.720 3.128 8.711 414 H ILE 46 H ILE 46 -17.374 3.575 10.095 415 HA ILE 46 HA ILE 46 -17.173 3.824 12.313 416 HB ILE 46 HB ILE 46 -14.944 3.985 11.453 417 1HG1 ILE 46 1HG1 ILE 46 -13.736 4.993 13.284 418 2HG1 ILE 46 2HG1 ILE 46 -15.171 5.849 13.850 419 1HG2 ILE 46 1HG2 ILE 46 -14.949 5.923 10.036 420 2HG2 ILE 46 2HG2 ILE 46 -15.271 7.006 11.412 421 3HG2 ILE 46 3HG2 ILE 46 -13.725 6.153 11.274 422 1HD1 ILE 46 1HD1 ILE 46 -16.272 3.687 14.329 423 2HD1 ILE 46 2HD1 ILE 46 -14.891 2.833 13.592 424 3HD1 ILE 46 3HD1 ILE 46 -14.681 3.742 15.105 425 H LEU 47 H LEU 47 -19.412 4.968 11.690 426 HA LEU 47 HA LEU 47 -19.492 7.770 12.460 427 1HB LEU 47 1HB LEU 47 -20.955 6.173 10.715 428 2HB LEU 47 2HB LEU 47 -22.108 6.460 12.009 429 HG LEU 47 HG LEU 47 -20.513 8.605 10.537 430 1HD1 LEU 47 1HD1 LEU 47 -22.109 7.444 9.061 431 2HD1 LEU 47 2HD1 LEU 47 -23.420 7.744 10.223 432 3HD1 LEU 47 3HD1 LEU 47 -22.633 9.105 9.391 433 1HD2 LEU 47 1HD2 LEU 47 -22.877 8.846 12.464 434 2HD2 LEU 47 2HD2 LEU 47 -21.205 9.325 12.821 435 3HD2 LEU 47 3HD2 LEU 47 -22.117 10.181 11.573 436 H GLY 48 H GLY 48 -18.983 7.845 14.646 437 1HA GLY 48 1HA GLY 48 -21.183 6.930 16.486 438 2HA GLY 48 2HA GLY 48 -19.475 6.739 16.905 439 1HN NH2 49 1HN NH2 49 -20.836 9.515 15.086 440 2HN NH2 49 2HN NH2 49 -20.579 10.718 16.378 441 1H ACE 0 H1 ACE 0 -11.123 -24.605 -7.295 442 2H ACE 0 H2 ACE 0 -11.495 -24.046 -8.940 443 3H ACE 0 H3 ACE 0 -9.822 -24.461 -8.495 444 H ASP 1 H ASP 1 -9.956 -22.077 -9.598 445 HA ASP 1 HA ASP 1 -8.669 -20.303 -8.129 446 1HB ASP 1 1HB ASP 1 -10.522 -20.135 -10.497 447 2HB ASP 1 2HB ASP 1 -10.034 -18.647 -9.727 448 H TYR 2 H TYR 2 -12.198 -19.888 -8.644 449 HA TYR 2 HA TYR 2 -12.610 -17.806 -6.860 450 1HB TYR 2 1HB TYR 2 -14.529 -20.112 -7.407 451 2HB TYR 2 2HB TYR 2 -14.921 -18.436 -7.075 452 HD1 TYR 2 HD1 TYR 2 -15.103 -20.717 -9.604 453 HD2 TYR 2 HD2 TYR 2 -13.435 -16.793 -8.901 454 HE1 TYR 2 HE1 TYR 2 -14.828 -20.394 -12.032 455 HE2 TYR 2 HE2 TYR 2 -13.150 -16.490 -11.339 456 HH TYR 2 HH TYR 2 -14.016 -19.022 -13.704 457 H LEU 3 H LEU 3 -12.666 -21.294 -6.056 458 HA LEU 3 HA LEU 3 -13.517 -20.764 -3.363 459 1HB LEU 3 1HB LEU 3 -12.142 -23.184 -4.594 460 2HB LEU 3 2HB LEU 3 -12.824 -23.156 -2.968 461 HG LEU 3 HG LEU 3 -14.550 -22.520 -5.404 462 1HD1 LEU 3 1HD1 LEU 3 -13.533 -24.705 -5.827 463 2HD1 LEU 3 2HD1 LEU 3 -14.018 -25.265 -4.210 464 3HD1 LEU 3 3HD1 LEU 3 -15.252 -24.874 -5.428 465 1HD2 LEU 3 1HD2 LEU 3 -15.213 -23.629 -2.636 466 2HD2 LEU 3 2HD2 LEU 3 -15.477 -21.953 -3.158 467 3HD2 LEU 3 3HD2 LEU 3 -16.372 -23.270 -3.928 468 H ARG 4 H ARG 4 -10.328 -21.242 -4.903 469 HA ARG 4 HA ARG 4 -8.968 -20.817 -2.326 470 1HB ARG 4 1HB ARG 4 -6.923 -21.086 -3.477 471 2HB ARG 4 2HB ARG 4 -8.023 -22.370 -3.994 472 1HG ARG 4 1HG ARG 4 -8.463 -21.195 -6.092 473 2HG ARG 4 2HG ARG 4 -7.505 -19.798 -5.578 474 1HD ARG 4 1HD ARG 4 -6.108 -20.996 -7.020 475 2HD ARG 4 2HD ARG 4 -5.517 -21.347 -5.382 476 HE ARG 4 HE ARG 4 -7.473 -23.289 -6.261 477 1HH1 ARG 4 1HH2 ARG 4 -4.109 -22.335 -6.637 478 2HH1 ARG 4 2HH2 ARG 4 -3.564 -23.872 -7.253 479 1HH2 ARG 4 1HH1 ARG 4 -6.826 -25.300 -7.122 480 2HH2 ARG 4 2HH1 ARG 4 -5.163 -25.607 -7.548 481 H GLU 5 H GLU 5 -10.736 -18.682 -3.856 482 HA GLU 5 HA GLU 5 -8.795 -16.416 -3.428 483 1HB GLU 5 1HB GLU 5 -10.961 -16.877 -5.474 484 2HB GLU 5 2HB GLU 5 -10.464 -15.230 -5.045 485 1HG GLU 5 1HG GLU 5 -8.309 -15.517 -5.937 486 2HG GLU 5 2HG GLU 5 -8.374 -17.280 -5.806 487 H LEU 6 H LEU 6 -12.302 -17.045 -3.659 488 HA LEU 6 HA LEU 6 -12.906 -14.862 -1.904 489 1HB LEU 6 1HB LEU 6 -14.623 -17.048 -3.145 490 2HB LEU 6 2HB LEU 6 -15.234 -15.747 -2.116 491 HG LEU 6 HG LEU 6 -14.101 -14.112 -3.815 492 1HD1 LEU 6 1HD1 LEU 6 -12.919 -15.975 -5.120 493 2HD1 LEU 6 2HD1 LEU 6 -14.521 -16.443 -5.702 494 3HD1 LEU 6 3HD1 LEU 6 -13.826 -14.825 -6.029 495 1HD2 LEU 6 1HD2 LEU 6 -16.579 -15.679 -4.507 496 2HD2 LEU 6 2HD2 LEU 6 -16.459 -14.328 -3.357 497 3HD2 LEU 6 3HD2 LEU 6 -16.085 -14.044 -5.054 498 H LEU 7 H LEU 7 -11.683 -17.806 -1.019 499 HA LEU 7 HA LEU 7 -12.897 -17.578 1.612 500 1HB LEU 7 1HB LEU 7 -13.738 -19.590 1.424 501 2HB LEU 7 2HB LEU 7 -13.043 -19.801 -0.168 502 HG LEU 7 HG LEU 7 -10.953 -20.731 0.934 503 1HD1 LEU 7 1HD1 LEU 7 -12.738 -20.447 3.402 504 2HD1 LEU 7 2HD1 LEU 7 -11.432 -21.642 3.303 505 3HD1 LEU 7 3HD1 LEU 7 -11.054 -19.925 3.228 506 1HD2 LEU 7 1HD2 LEU 7 -13.646 -22.046 1.394 507 2HD2 LEU 7 2HD2 LEU 7 -12.672 -22.112 -0.083 508 3HD2 LEU 7 3HD2 LEU 7 -12.074 -22.888 1.389 509 H LYS 8 H LYS 8 -10.031 -18.814 -0.171 510 HA LYS 8 HA LYS 8 -8.364 -18.852 2.037 511 1HB LYS 8 1HB LYS 8 -7.757 -19.965 0.041 512 2HB LYS 8 2HB LYS 8 -7.791 -18.467 -0.896 513 1HG LYS 8 1HG LYS 8 -5.892 -18.530 1.416 514 2HG LYS 8 2HG LYS 8 -5.512 -19.606 0.062 515 1HD LYS 8 1HD LYS 8 -5.287 -17.877 -1.499 516 2HD LYS 8 2HD LYS 8 -6.240 -16.735 -0.568 517 1HE LYS 8 1HE LYS 8 -3.862 -16.134 -0.520 518 2HE LYS 8 2HE LYS 8 -4.507 -16.450 1.097 519 1HZ LYS 8 1HZ LYS 8 -3.526 -18.624 1.002 520 2HZ LYS 8 2HZ LYS 8 -2.934 -18.343 -0.513 521 3HZ LYS 8 3HZ LYS 8 -2.380 -17.466 0.769 522 H LEU 9 H LEU 9 -9.118 -16.136 -0.170 523 HA LEU 9 HA LEU 9 -7.218 -14.346 1.127 524 1HB LEU 9 1HB LEU 9 -9.486 -13.709 -0.806 525 2HB LEU 9 2HB LEU 9 -8.242 -12.591 -0.293 526 HG LEU 9 HG LEU 9 -7.562 -15.167 -1.770 527 1HD1 LEU 9 1HD1 LEU 9 -9.026 -13.830 -3.198 528 2HD1 LEU 9 2HD1 LEU 9 -8.041 -12.385 -2.904 529 3HD1 LEU 9 3HD1 LEU 9 -7.362 -13.765 -3.794 530 1HD2 LEU 9 1HD2 LEU 9 -6.033 -12.561 -1.304 531 2HD2 LEU 9 2HD2 LEU 9 -5.681 -14.116 -0.522 532 3HD2 LEU 9 3HD2 LEU 9 -5.461 -13.936 -2.268 533 H GLU 10 H GLU 10 -10.279 -15.565 2.065 534 HA GLU 10 HA GLU 10 -11.017 -13.162 3.609 535 1HB GLU 10 1HB GLU 10 -12.127 -16.000 3.619 536 2HB GLU 10 2HB GLU 10 -12.672 -14.630 4.531 537 1HG GLU 10 1HG GLU 10 -12.633 -14.460 1.477 538 2HG GLU 10 2HG GLU 10 -13.888 -15.374 2.304 539 H LEU 11 H LEU 11 -9.693 -16.450 3.945 540 HA LEU 11 HA LEU 11 -9.748 -16.636 6.778 541 1HB LEU 11 1HB LEU 11 -9.248 -18.327 4.798 542 2HB LEU 11 2HB LEU 11 -7.559 -17.912 5.058 543 HG LEU 11 HG LEU 11 -9.420 -18.914 7.270 544 1HD1 LEU 11 1HD1 LEU 11 -9.447 -20.545 5.432 545 2HD1 LEU 11 2HD1 LEU 11 -7.671 -20.557 5.390 546 3HD1 LEU 11 3HD1 LEU 11 -8.542 -21.179 6.810 547 1HD2 LEU 11 1HD2 LEU 11 -6.376 -18.956 6.956 548 2HD2 LEU 11 2HD2 LEU 11 -7.301 -17.963 8.104 549 3HD2 LEU 11 3HD2 LEU 11 -7.287 -19.722 8.274 550 H GLN 12 H GLN 12 -7.146 -15.325 4.716 551 HA GLN 12 HA GLN 12 -5.368 -14.682 6.881 552 1HB GLN 12 1HB GLN 12 -4.569 -12.862 5.212 553 2HB GLN 12 2HB GLN 12 -4.593 -14.487 4.516 554 1HG GLN 12 1HG GLN 12 -6.642 -14.056 3.327 555 2HG GLN 12 2HG GLN 12 -6.912 -12.537 4.188 556 1HE2 GLN 12 2HE2 GLN 12 -7.254 -11.696 2.049 557 2HE2 GLN 12 1HE2 GLN 12 -5.841 -11.134 1.153 558 H LEU 13 H LEU 13 -8.359 -13.184 6.021 559 HA LEU 13 HA LEU 13 -7.742 -10.603 7.145 560 1HB LEU 13 1HB LEU 13 -10.504 -11.706 6.574 561 2HB LEU 13 2HB LEU 13 -9.994 -10.053 6.874 562 HG LEU 13 HG LEU 13 -9.297 -11.712 4.446 563 1HD1 LEU 13 1HD1 LEU 13 -11.544 -10.999 4.362 564 2HD1 LEU 13 2HD1 LEU 13 -11.174 -9.403 5.028 565 3HD1 LEU 13 3HD1 LEU 13 -10.657 -9.790 3.384 566 1HD2 LEU 13 1HD2 LEU 13 -8.559 -8.822 5.049 567 2HD2 LEU 13 2HD2 LEU 13 -7.407 -10.178 4.956 568 3HD2 LEU 13 3HD2 LEU 13 -8.299 -9.701 3.516 569 H ILE 14 H ILE 14 -9.228 -13.740 8.066 570 HA ILE 14 HA ILE 14 -10.352 -12.735 10.491 571 HB ILE 14 HB ILE 14 -9.583 -15.597 9.639 572 1HG1 ILE 14 1HG1 ILE 14 -10.992 -14.863 7.975 573 2HG1 ILE 14 2HG1 ILE 14 -12.072 -15.656 9.100 574 1HG2 ILE 14 1HG2 ILE 14 -10.165 -15.419 12.125 575 2HG2 ILE 14 2HG2 ILE 14 -11.699 -14.660 11.671 576 3HG2 ILE 14 3HG2 ILE 14 -11.370 -16.322 11.191 577 1HD1 ILE 14 1HD1 ILE 14 -12.550 -13.323 10.086 578 2HD1 ILE 14 2HD1 ILE 14 -11.686 -12.669 8.676 579 3HD1 ILE 14 3HD1 ILE 14 -13.139 -13.636 8.445 580 H LYS 15 H LYS 15 -7.121 -14.365 10.148 581 HA LYS 15 HA LYS 15 -5.890 -13.805 12.464 582 1HB LYS 15 1HB LYS 15 -5.311 -14.153 9.512 583 2HB LYS 15 2HB LYS 15 -4.114 -13.378 10.477 584 1HG LYS 15 1HG LYS 15 -3.582 -15.658 10.296 585 2HG LYS 15 2HG LYS 15 -4.042 -15.390 11.981 586 1HD LYS 15 1HD LYS 15 -6.124 -16.538 11.696 587 2HD LYS 15 2HD LYS 15 -6.077 -16.382 9.927 588 1HE LYS 15 1HE LYS 15 -4.212 -17.920 9.738 589 2HE LYS 15 2HE LYS 15 -4.041 -18.028 11.502 590 1HZ LYS 15 1HZ LYS 15 -6.157 -19.079 11.600 591 2HZ LYS 15 2HZ LYS 15 -6.400 -18.890 9.982 592 3HZ LYS 15 3HZ LYS 15 -5.205 -19.885 10.524 593 H GLN 16 H GLN 16 -6.265 -11.606 9.517 594 HA GLN 16 HA GLN 16 -4.645 -9.562 10.809 595 1HB GLN 16 1HB GLN 16 -6.481 -9.502 8.403 596 2HB GLN 16 2HB GLN 16 -5.942 -8.017 9.150 597 1HG GLN 16 1HG GLN 16 -4.430 -8.286 7.466 598 2HG GLN 16 2HG GLN 16 -3.544 -8.803 8.901 599 1HE2 GLN 16 2HE2 GLN 16 -2.983 -11.062 9.083 600 2HE2 GLN 16 1HE2 GLN 16 -3.150 -12.137 7.695 601 H TYR 17 H TYR 17 -7.997 -10.411 10.910 602 HA TYR 17 HA TYR 17 -9.047 -7.876 11.824 603 1HB TYR 17 1HB TYR 17 -10.108 -10.660 11.344 604 2HB TYR 17 2HB TYR 17 -10.829 -9.787 12.631 605 HD1 TYR 17 HD1 TYR 17 -10.847 -10.191 9.045 606 HD2 TYR 17 HD2 TYR 17 -12.266 -7.865 12.362 607 HE1 TYR 17 HE1 TYR 17 -12.439 -9.111 7.575 608 HE2 TYR 17 HE2 TYR 17 -13.897 -6.756 10.860 609 HH TYR 17 HH TYR 17 -14.263 -7.706 7.445 610 H ARG 18 H ARG 18 -7.980 -10.949 13.190 611 HA ARG 18 HA ARG 18 -8.571 -10.267 15.949 612 1HB ARG 18 1HB ARG 18 -6.674 -12.303 14.745 613 2HB ARG 18 2HB ARG 18 -6.991 -12.133 16.484 614 1HG ARG 18 1HG ARG 18 -9.329 -12.696 16.214 615 2HG ARG 18 2HG ARG 18 -9.223 -12.589 14.467 616 1HD ARG 18 1HD ARG 18 -9.224 -14.861 14.824 617 2HD ARG 18 2HD ARG 18 -7.519 -14.547 14.573 618 HE ARG 18 HE ARG 18 -8.957 -15.364 17.017 619 1HH1 ARG 18 1HH2 ARG 18 -5.890 -14.129 15.789 620 2HH1 ARG 18 2HH2 ARG 18 -4.964 -14.634 17.176 621 1HH2 ARG 18 1HH1 ARG 18 -7.801 -15.993 18.834 622 2HH2 ARG 18 2HH1 ARG 18 -6.090 -15.705 18.968 623 H GLU 19 H GLU 19 -5.752 -10.142 13.903 624 HA GLU 19 HA GLU 19 -3.862 -9.039 15.673 625 1HB GLU 19 1HB GLU 19 -3.510 -10.079 13.343 626 2HB GLU 19 2HB GLU 19 -3.907 -8.465 12.715 627 1HG GLU 19 1HG GLU 19 -2.011 -7.506 13.945 628 2HG GLU 19 2HG GLU 19 -1.666 -9.079 14.683 629 H ALA 20 H ALA 20 -6.549 -7.483 13.901 630 HA ALA 20 HA ALA 20 -5.696 -4.875 15.151 631 1HB ALA 20 1HB ALA 20 -5.450 -4.826 12.751 632 2HB ALA 20 2HB ALA 20 -7.076 -5.477 12.518 633 3HB ALA 20 3HB ALA 20 -6.857 -3.846 13.202 634 H LEU 21 H LEU 21 -7.493 -7.138 16.194 635 HA LEU 21 HA LEU 21 -10.089 -5.732 16.470 636 1HB LEU 21 1HB LEU 21 -10.134 -8.054 15.981 637 2HB LEU 21 2HB LEU 21 -8.973 -8.449 17.237 638 HG LEU 21 HG LEU 21 -11.708 -8.732 17.178 639 1HD1 LEU 21 1HD1 LEU 21 -10.238 -10.214 18.340 640 2HD1 LEU 21 2HD1 LEU 21 -9.770 -8.945 19.495 641 3HD1 LEU 21 3HD1 LEU 21 -11.414 -9.598 19.516 642 1HD2 LEU 21 1HD2 LEU 21 -11.247 -6.772 19.437 643 2HD2 LEU 21 2HD2 LEU 21 -11.974 -6.355 17.865 644 3HD2 LEU 21 3HD2 LEU 21 -12.742 -7.560 18.902 645 H GLU 22 H GLU 22 -7.728 -7.282 18.598 646 HA GLU 22 HA GLU 22 -8.722 -5.714 20.846 647 1HB GLU 22 1HB GLU 22 -7.349 -7.306 22.241 648 2HB GLU 22 2HB GLU 22 -8.661 -8.058 21.329 649 1HG GLU 22 1HG GLU 22 -7.037 -8.795 19.593 650 2HG GLU 22 2HG GLU 22 -5.732 -8.007 20.511 651 H TYR 23 H TYR 23 -5.893 -6.091 18.799 652 HA TYR 23 HA TYR 23 -3.899 -4.821 20.336 653 1HB TYR 23 1HB TYR 23 -4.514 -5.072 17.376 654 2HB TYR 23 2HB TYR 23 -3.145 -4.178 17.972 655 HD1 TYR 23 HD1 TYR 23 -1.083 -5.190 17.947 656 HD2 TYR 23 HD2 TYR 23 -4.607 -7.648 18.349 657 HE1 TYR 23 HE1 TYR 23 0.292 -7.223 17.678 658 HE2 TYR 23 HE2 TYR 23 -3.215 -9.668 18.185 659 HH TYR 23 HH TYR 23 -1.113 -10.502 17.755 660 H VAL 24 H VAL 24 -6.772 -3.554 18.792 661 HA VAL 24 HA VAL 24 -5.802 -0.757 19.149 662 HB VAL 24 HB VAL 24 -6.687 -1.008 17.091 663 1HG1 VAL 24 1HG1 VAL 24 -8.009 -3.090 17.285 664 2HG1 VAL 24 2HG1 VAL 24 -9.392 -2.123 17.830 665 3HG1 VAL 24 3HG1 VAL 24 -8.676 -1.819 16.260 666 1HG2 VAL 24 1HG2 VAL 24 -9.078 0.235 18.402 667 2HG2 VAL 24 2HG2 VAL 24 -7.463 0.989 18.508 668 3HG2 VAL 24 3HG2 VAL 24 -8.225 0.706 16.931 669 H LYS 25 H LYS 25 -9.009 -1.868 19.577 670 HA LYS 25 HA LYS 25 -9.249 -2.299 22.333 671 1HB LYS 25 1HB LYS 25 -10.041 -0.082 23.219 672 2HB LYS 25 2HB LYS 25 -8.348 -0.105 22.843 673 1HG LYS 25 1HG LYS 25 -9.138 0.864 20.489 674 2HG LYS 25 2HG LYS 25 -10.600 1.291 21.368 675 1HD LYS 25 1HD LYS 25 -7.733 2.057 22.133 676 2HD LYS 25 2HD LYS 25 -8.810 3.067 21.159 677 1HE LYS 25 1HE LYS 25 -10.442 3.160 23.044 678 2HE LYS 25 2HE LYS 25 -9.321 2.213 24.044 679 1HZ LYS 25 1HZ LYS 25 -7.719 3.960 23.798 680 2HZ LYS 25 2HZ LYS 25 -8.740 4.833 22.842 681 3HZ LYS 25 3HZ LYS 25 -9.118 4.566 24.423 682 H LEU 26 H LEU 26 -10.620 -2.981 19.722 683 HA LEU 26 HA LEU 26 -13.326 -1.765 20.248 684 1HB LEU 26 1HB LEU 26 -12.041 -0.888 18.266 685 2HB LEU 26 2HB LEU 26 -12.266 -2.473 17.541 686 HG LEU 26 HG LEU 26 -14.835 -1.863 18.535 687 1HD1 LEU 26 1HD1 LEU 26 -15.352 0.399 17.947 688 2HD1 LEU 26 2HD1 LEU 26 -13.976 0.448 19.055 689 3HD1 LEU 26 3HD1 LEU 26 -13.715 0.684 17.313 690 1HD2 LEU 26 1HD2 LEU 26 -13.763 -1.336 15.745 691 2HD2 LEU 26 2HD2 LEU 26 -14.385 -2.876 16.389 692 3HD2 LEU 26 3HD2 LEU 26 -15.473 -1.498 16.216 693 HA PRO 27 HA PRO 27 -13.572 -6.373 20.670 694 1HB PRO 27 1HB PRO 27 -15.916 -6.449 22.179 695 2HB PRO 27 2HB PRO 27 -14.254 -6.351 22.817 696 1HG PRO 27 1HG PRO 27 -16.192 -4.081 22.349 697 2HG PRO 27 2HG PRO 27 -15.155 -4.367 23.779 698 1HD PRO 27 1HD PRO 27 -14.444 -2.604 21.884 699 2HD PRO 27 2HD PRO 27 -13.196 -3.668 22.589 700 H VAL 28 H VAL 28 -16.123 -4.104 19.679 701 HA VAL 28 HA VAL 28 -17.969 -5.736 18.424 702 HB VAL 28 HB VAL 28 -16.860 -3.069 17.652 703 1HG1 VAL 28 1HG1 VAL 28 -17.783 -3.923 15.587 704 2HG1 VAL 28 2HG1 VAL 28 -19.234 -4.524 16.424 705 3HG1 VAL 28 3HG1 VAL 28 -18.942 -2.779 16.256 706 1HG2 VAL 28 1HG2 VAL 28 -19.496 -3.886 18.942 707 2HG2 VAL 28 2HG2 VAL 28 -18.113 -3.172 19.801 708 3HG2 VAL 28 3HG2 VAL 28 -18.985 -2.227 18.584 709 H LEU 29 H LEU 29 -14.649 -5.115 17.322 710 HA LEU 29 HA LEU 29 -15.113 -5.671 14.557 711 1HB LEU 29 1HB LEU 29 -12.826 -5.113 16.327 712 2HB LEU 29 2HB LEU 29 -12.427 -6.347 15.151 713 HG LEU 29 HG LEU 29 -13.741 -3.696 14.400 714 1HD1 LEU 29 1HD1 LEU 29 -11.551 -3.315 15.594 715 2HD1 LEU 29 2HD1 LEU 29 -10.783 -4.390 14.424 716 3HD1 LEU 29 3HD1 LEU 29 -11.499 -2.852 13.891 717 1HD2 LEU 29 1HD2 LEU 29 -12.064 -5.690 12.827 718 2HD2 LEU 29 2HD2 LEU 29 -13.839 -5.585 12.756 719 3HD2 LEU 29 3HD2 LEU 29 -12.847 -4.242 12.191 720 H ALA 30 H ALA 30 -14.386 -7.651 17.376 721 HA ALA 30 HA ALA 30 -13.960 -10.060 15.879 722 1HB ALA 30 1HB ALA 30 -14.775 -9.540 18.798 723 2HB ALA 30 2HB ALA 30 -14.523 -11.169 18.149 724 3HB ALA 30 3HB ALA 30 -13.181 -10.030 18.199 725 H LYS 31 H LYS 31 -16.859 -8.318 16.880 726 HA LYS 31 HA LYS 31 -18.502 -10.733 16.403 727 1HB LYS 31 1HB LYS 31 -19.108 -7.921 17.259 728 2HB LYS 31 2HB LYS 31 -20.381 -8.886 16.481 729 1HG LYS 31 1HG LYS 31 -20.125 -10.687 18.043 730 2HG LYS 31 2HG LYS 31 -18.722 -9.936 18.816 731 1HD LYS 31 1HD LYS 31 -19.992 -8.422 20.000 732 2HD LYS 31 2HD LYS 31 -21.240 -8.299 18.743 733 1HE LYS 31 1HE LYS 31 -22.179 -10.456 19.330 734 2HE LYS 31 2HE LYS 31 -20.874 -10.783 20.485 735 1HZ LYS 31 1HZ LYS 31 -21.651 -9.003 21.821 736 2HZ LYS 31 2HZ LYS 31 -22.802 -8.579 20.716 737 3HZ LYS 31 3HZ LYS 31 -22.908 -10.021 21.510 738 H ILE 32 H ILE 32 -17.444 -7.966 14.458 739 HA ILE 32 HA ILE 32 -19.196 -8.490 12.293 740 HB ILE 32 HB ILE 32 -16.483 -7.075 12.428 741 1HG1 ILE 32 1HG1 ILE 32 -19.276 -5.833 12.687 742 2HG1 ILE 32 2HG1 ILE 32 -18.194 -6.062 14.045 743 1HG2 ILE 32 1HG2 ILE 32 -17.140 -6.129 10.327 744 2HG2 ILE 32 2HG2 ILE 32 -17.655 -7.820 10.195 745 3HG2 ILE 32 3HG2 ILE 32 -18.836 -6.563 10.620 746 1HD1 ILE 32 1HD1 ILE 32 -16.514 -4.582 13.053 747 2HD1 ILE 32 2HD1 ILE 32 -17.552 -4.324 11.639 748 3HD1 ILE 32 3HD1 ILE 32 -18.081 -3.768 13.227 749 H LEU 33 H LEU 33 -15.741 -9.210 13.126 750 HA LEU 33 HA LEU 33 -15.253 -10.700 10.803 751 1HB LEU 33 1HB LEU 33 -13.177 -11.098 11.618 752 2HB LEU 33 2HB LEU 33 -13.683 -9.734 12.615 753 HG LEU 33 HG LEU 33 -14.371 -11.406 14.357 754 1HD1 LEU 33 1HD1 LEU 33 -14.346 -13.549 13.870 755 2HD1 LEU 33 2HD1 LEU 33 -13.469 -13.264 12.346 756 3HD1 LEU 33 3HD1 LEU 33 -12.580 -13.472 13.876 757 1HD2 LEU 33 1HD2 LEU 33 -11.429 -11.449 13.704 758 2HD2 LEU 33 2HD2 LEU 33 -12.257 -9.986 14.327 759 3HD2 LEU 33 3HD2 LEU 33 -12.183 -11.463 15.306 760 H GLU 34 H GLU 34 -16.599 -11.774 13.966 761 HA GLU 34 HA GLU 34 -16.546 -14.541 13.418 762 1HB GLU 34 1HB GLU 34 -17.141 -13.310 15.589 763 2HB GLU 34 2HB GLU 34 -18.771 -13.143 14.958 764 1HG GLU 34 1HG GLU 34 -18.964 -15.600 14.815 765 2HG GLU 34 2HG GLU 34 -17.262 -15.783 15.274 766 H ASP 35 H ASP 35 -19.040 -12.105 12.821 767 HA ASP 35 HA ASP 35 -20.916 -13.745 11.481 768 1HB ASP 35 1HB ASP 35 -21.277 -11.358 12.189 769 2HB ASP 35 2HB ASP 35 -20.351 -10.845 10.769 770 H GLU 36 H GLU 36 -18.306 -11.716 9.923 771 HA GLU 36 HA GLU 36 -18.469 -12.726 7.396 772 1HB GLU 36 1HB GLU 36 -15.825 -12.109 8.756 773 2HB GLU 36 2HB GLU 36 -16.223 -12.092 7.040 774 1HG GLU 36 1HG GLU 36 -18.107 -10.304 8.108 775 2HG GLU 36 2HG GLU 36 -16.673 -10.013 9.080 776 H GLU 37 H GLU 37 -16.674 -14.315 10.179 777 HA GLU 37 HA GLU 37 -15.544 -16.386 8.767 778 1HB GLU 37 1HB GLU 37 -15.660 -15.546 11.354 779 2HB GLU 37 2HB GLU 37 -16.658 -16.998 11.469 780 1HG GLU 37 1HG GLU 37 -13.876 -16.842 10.218 781 2HG GLU 37 2HG GLU 37 -14.215 -17.092 11.926 782 H LYS 38 H LYS 38 -18.953 -16.028 9.753 783 HA LYS 38 HA LYS 38 -19.634 -18.747 8.977 784 1HB LYS 38 1HB LYS 38 -20.858 -17.173 10.613 785 2HB LYS 38 2HB LYS 38 -21.520 -16.378 9.176 786 1HG LYS 38 1HG LYS 38 -22.332 -18.693 8.407 787 2HG LYS 38 2HG LYS 38 -21.769 -19.321 9.963 788 1HD LYS 38 1HD LYS 38 -23.338 -17.631 11.088 789 2HD LYS 38 2HD LYS 38 -23.929 -17.210 9.472 790 1HE LYS 38 1HE LYS 38 -25.473 -18.818 10.415 791 2HE LYS 38 2HE LYS 38 -24.572 -19.638 9.129 792 1HZ LYS 38 1HZ LYS 38 -23.167 -20.590 10.824 793 2HZ LYS 38 2HZ LYS 38 -24.004 -19.813 12.009 794 3HZ LYS 38 3HZ LYS 38 -24.743 -20.972 11.100 795 H HIS 39 H HIS 39 -19.840 -15.538 7.359 796 HA HIS 39 HA HIS 39 -21.065 -16.529 4.950 797 1HB HIS 39 1HB HIS 39 -19.210 -14.170 5.453 798 2HB HIS 39 2HB HIS 39 -19.922 -14.531 3.888 799 HD1 HIS 39 HD1 HIS 39 -22.796 -14.753 4.038 800 HD2 HIS 39 HD2 HIS 39 -20.684 -12.631 7.002 801 HE1 HIS 39 HE1 HIS 39 -24.491 -13.180 5.175 802 HE2 HIS 39 HE2 HIS 39 -23.158 -11.882 6.964 803 H ILE 40 H ILE 40 -17.695 -16.309 6.005 804 HA ILE 40 HA ILE 40 -16.495 -17.257 3.592 805 HB ILE 40 HB ILE 40 -15.505 -17.331 6.470 806 1HG1 ILE 40 1HG1 ILE 40 -14.729 -15.386 4.302 807 2HG1 ILE 40 2HG1 ILE 40 -16.113 -15.015 5.266 808 1HG2 ILE 40 1HG2 ILE 40 -14.219 -18.888 5.046 809 2HG2 ILE 40 2HG2 ILE 40 -14.041 -17.640 3.802 810 3HG2 ILE 40 3HG2 ILE 40 -13.235 -17.461 5.372 811 1HD1 ILE 40 1HD1 ILE 40 -14.841 -14.988 7.317 812 2HD1 ILE 40 2HD1 ILE 40 -13.370 -15.498 6.485 813 3HD1 ILE 40 3HD1 ILE 40 -14.110 -13.914 6.141 814 H GLU 41 H GLU 41 -17.555 -18.867 6.636 815 HA GLU 41 HA GLU 41 -16.888 -21.477 5.983 816 1HB GLU 41 1HB GLU 41 -17.722 -20.645 8.165 817 2HB GLU 41 2HB GLU 41 -19.362 -20.564 7.514 818 1HG GLU 41 1HG GLU 41 -17.823 -23.150 7.333 819 2HG GLU 41 2HG GLU 41 -18.490 -22.632 8.889 820 H TRP 42 H TRP 42 -19.752 -19.575 4.820 821 HA TRP 42 HA TRP 42 -21.119 -21.626 3.606 822 1HB TRP 42 1HB TRP 42 -21.564 -19.078 3.794 823 2HB TRP 42 2HB TRP 42 -20.722 -18.959 2.256 824 HD1 TRP 42 HD1 TRP 42 -23.836 -20.495 3.766 825 HE1 TRP 42 HE1 TRP 42 -25.459 -21.225 1.876 826 HE3 TRP 42 HE3 TRP 42 -20.829 -19.544 -0.139 827 HZ2 TRP 42 HZ2 TRP 42 -25.321 -21.504 -1.065 828 HZ3 TRP 42 HZ3 TRP 42 -21.546 -20.028 -2.505 829 HH2 TRP 42 HH2 TRP 42 -23.722 -21.146 -2.920 830 H LEU 43 H LEU 43 -18.170 -20.005 2.558 831 HA LEU 43 HA LEU 43 -18.092 -21.305 -0.060 832 1HB LEU 43 1HB LEU 43 -15.932 -19.807 1.430 833 2HB LEU 43 2HB LEU 43 -15.749 -20.553 -0.154 834 HG LEU 43 HG LEU 43 -18.095 -19.011 -0.428 835 1HD1 LEU 43 1HD1 LEU 43 -17.654 -17.766 1.611 836 2HD1 LEU 43 2HD1 LEU 43 -15.979 -17.456 1.126 837 3HD1 LEU 43 3HD1 LEU 43 -17.312 -16.716 0.230 838 1HD2 LEU 43 1HD2 LEU 43 -15.230 -18.347 -1.213 839 2HD2 LEU 43 2HD2 LEU 43 -16.362 -19.336 -2.156 840 3HD2 LEU 43 3HD2 LEU 43 -16.694 -17.613 -1.905 841 H GLU 44 H GLU 44 -16.878 -22.140 3.259 842 HA GLU 44 HA GLU 44 -15.709 -24.614 2.078 843 1HB GLU 44 1HB GLU 44 -15.905 -23.689 4.968 844 2HB GLU 44 2HB GLU 44 -15.202 -25.207 4.397 845 1HG GLU 44 1HG GLU 44 -13.705 -23.806 2.867 846 2HG GLU 44 2HG GLU 44 -14.157 -22.415 3.879 847 H THR 45 H THR 45 -18.604 -24.078 1.645 848 HA THR 45 HA THR 45 -19.311 -26.804 2.536 849 HB THR 45 HB THR 45 -20.031 -24.900 4.195 850 HG1 THR 45 HG1 THR 45 -20.547 -27.008 4.547 851 1HG2 THR 45 1HG2 THR 45 -21.300 -23.556 2.655 852 2HG2 THR 45 2HG2 THR 45 -22.473 -24.863 2.448 853 3HG2 THR 45 3HG2 THR 45 -22.218 -24.095 4.046 854 H ILE 46 H ILE 46 -20.394 -23.954 0.813 855 HA ILE 46 HA ILE 46 -21.679 -23.717 -1.048 856 HB ILE 46 HB ILE 46 -19.397 -23.667 -1.740 857 1HG1 ILE 46 1HG1 ILE 46 -19.539 -24.083 -4.110 858 2HG1 ILE 46 2HG1 ILE 46 -20.966 -25.099 -3.926 859 1HG2 ILE 46 1HG2 ILE 46 -18.536 -25.829 -1.082 860 2HG2 ILE 46 2HG2 ILE 46 -19.521 -26.652 -2.309 861 3HG2 ILE 46 3HG2 ILE 46 -18.224 -25.552 -2.791 862 1HD1 ILE 46 1HD1 ILE 46 -22.262 -23.175 -3.120 863 2HD1 ILE 46 2HD1 ILE 46 -20.785 -22.173 -3.122 864 3HD1 ILE 46 3HD1 ILE 46 -21.475 -22.763 -4.650 865 H LEU 47 H LEU 47 -23.380 -25.045 0.082 866 HA LEU 47 HA LEU 47 -25.105 -26.528 0.016 867 1HB LEU 47 1HB LEU 47 -25.408 -25.646 -2.304 868 2HB LEU 47 2HB LEU 47 -24.381 -26.941 -2.905 869 HG LEU 47 HG LEU 47 -26.252 -28.382 -1.436 870 1HD1 LEU 47 1HD1 LEU 47 -27.616 -26.352 -1.039 871 2HD1 LEU 47 2HD1 LEU 47 -27.744 -26.105 -2.796 872 3HD1 LEU 47 3HD1 LEU 47 -28.456 -27.547 -2.043 873 1HD2 LEU 47 1HD2 LEU 47 -26.386 -27.598 -4.373 874 2HD2 LEU 47 2HD2 LEU 47 -25.417 -28.917 -3.681 875 3HD2 LEU 47 3HD2 LEU 47 -27.186 -28.997 -3.619 876 H GLY 48 H GLY 48 -23.305 -27.573 1.422 877 1HA GLY 48 1HA GLY 48 -22.071 -29.997 0.535 878 2HA GLY 48 2HA GLY 48 -22.348 -29.476 2.203 879 1HN NH2 49 1HN NH2 49 -24.168 -30.773 -0.665 880 2HN NH2 49 2HN NH2 49 -25.289 -31.771 0.299 Start of MODEL 10 1 1H ACE 0 H1 ACE 0 6.570 14.609 -3.408 2 2H ACE 0 H2 ACE 0 5.492 15.632 -4.377 3 3H ACE 0 H3 ACE 0 7.140 15.291 -4.949 4 H ASP 1 H ASP 1 5.474 14.755 -6.824 5 HA ASP 1 HA ASP 1 3.735 12.643 -6.570 6 1HB ASP 1 1HB ASP 1 3.882 14.401 -8.412 7 2HB ASP 1 2HB ASP 1 5.060 13.348 -9.211 8 H TYR 2 H TYR 2 7.099 12.407 -7.123 9 HA TYR 2 HA TYR 2 8.216 9.979 -7.608 10 1HB TYR 2 1HB TYR 2 8.237 11.960 -5.432 11 2HB TYR 2 2HB TYR 2 8.397 10.363 -4.764 12 HD1 TYR 2 HD1 TYR 2 9.937 8.825 -6.651 13 HD2 TYR 2 HD2 TYR 2 10.356 12.945 -5.457 14 HE1 TYR 2 HE1 TYR 2 12.367 8.646 -6.854 15 HE2 TYR 2 HE2 TYR 2 12.762 12.826 -5.946 16 HH TYR 2 HH TYR 2 14.147 10.055 -7.699 17 H LEU 3 H LEU 3 5.834 10.292 -4.866 18 HA LEU 3 HA LEU 3 5.991 7.597 -4.117 19 1HB LEU 3 1HB LEU 3 3.572 9.471 -3.929 20 2HB LEU 3 2HB LEU 3 3.583 7.827 -3.317 21 HG LEU 3 HG LEU 3 5.771 8.646 -2.014 22 1HD1 LEU 3 1HD1 LEU 3 5.756 10.955 -2.766 23 2HD1 LEU 3 2HD1 LEU 3 4.041 11.149 -2.317 24 3HD1 LEU 3 3HD1 LEU 3 5.271 10.928 -1.064 25 1HD2 LEU 3 1HD2 LEU 3 2.887 9.137 -1.167 26 2HD2 LEU 3 2HD2 LEU 3 3.779 7.611 -0.990 27 3HD2 LEU 3 3HD2 LEU 3 4.269 9.031 -0.058 28 H ARG 4 H ARG 4 4.236 8.820 -6.870 29 HA ARG 4 HA ARG 4 2.571 6.696 -7.511 30 1HB ARG 4 1HB ARG 4 2.727 7.427 -9.766 31 2HB ARG 4 2HB ARG 4 2.848 8.856 -8.733 32 1HG ARG 4 1HG ARG 4 5.438 8.559 -8.986 33 2HG ARG 4 2HG ARG 4 5.038 7.441 -10.308 34 1HD ARG 4 1HD ARG 4 3.715 9.336 -11.364 35 2HD ARG 4 2HD ARG 4 4.320 10.362 -10.047 36 HE ARG 4 HE ARG 4 6.441 8.957 -11.431 37 1HH1 ARG 4 1HH2 ARG 4 4.377 11.837 -11.545 38 2HH1 ARG 4 2HH2 ARG 4 5.477 12.747 -12.538 39 1HH2 ARG 4 1HH1 ARG 4 7.880 10.133 -12.711 40 2HH2 ARG 4 2HH1 ARG 4 7.517 11.755 -13.227 41 H GLU 5 H GLU 5 6.093 6.866 -7.609 42 HA GLU 5 HA GLU 5 6.484 4.617 -9.421 43 1HB GLU 5 1HB GLU 5 8.423 5.972 -7.488 44 2HB GLU 5 2HB GLU 5 8.849 4.814 -8.747 45 1HG GLU 5 1HG GLU 5 8.090 6.377 -10.494 46 2HG GLU 5 2HG GLU 5 7.543 7.529 -9.266 47 H LEU 6 H LEU 6 5.885 5.058 -6.021 48 HA LEU 6 HA LEU 6 7.087 2.479 -5.259 49 1HB LEU 6 1HB LEU 6 5.924 4.783 -3.631 50 2HB LEU 6 2HB LEU 6 6.631 3.284 -3.004 51 HG LEU 6 HG LEU 6 8.805 3.915 -4.100 52 1HD1 LEU 6 1HD1 LEU 6 7.422 6.025 -5.315 53 2HD1 LEU 6 2HD1 LEU 6 8.140 6.800 -3.938 54 3HD1 LEU 6 3HD1 LEU 6 9.158 5.902 -5.098 55 1HD2 LEU 6 1HD2 LEU 6 7.609 5.741 -1.951 56 2HD2 LEU 6 2HD2 LEU 6 8.240 4.125 -1.648 57 3HD2 LEU 6 3HD2 LEU 6 9.339 5.405 -2.166 58 H LEU 7 H LEU 7 4.154 3.444 -6.560 59 HA LEU 7 HA LEU 7 2.715 1.390 -5.101 60 1HB LEU 7 1HB LEU 7 0.767 2.735 -4.822 61 2HB LEU 7 2HB LEU 7 2.174 3.443 -4.045 62 HG LEU 7 HG LEU 7 2.340 4.824 -6.308 63 1HD1 LEU 7 1HD1 LEU 7 0.105 3.683 -7.163 64 2HD1 LEU 7 2HD1 LEU 7 -0.679 4.739 -5.995 65 3HD1 LEU 7 3HD1 LEU 7 0.279 5.442 -7.297 66 1HD2 LEU 7 1HD2 LEU 7 0.447 5.506 -4.029 67 2HD2 LEU 7 2HD2 LEU 7 2.198 5.783 -4.051 68 3HD2 LEU 7 3HD2 LEU 7 1.152 6.665 -5.173 69 H LYS 8 H LYS 8 2.615 3.534 -7.983 70 HA LYS 8 HA LYS 8 0.630 1.985 -9.174 71 1HB LYS 8 1HB LYS 8 1.302 4.428 -9.545 72 2HB LYS 8 2HB LYS 8 2.526 3.845 -10.673 73 1HG LYS 8 1HG LYS 8 0.928 3.271 -12.272 74 2HG LYS 8 2HG LYS 8 -0.264 2.794 -11.056 75 1HD LYS 8 1HD LYS 8 -0.682 5.128 -10.445 76 2HD LYS 8 2HD LYS 8 0.467 5.699 -11.661 77 1HE LYS 8 1HE LYS 8 -1.817 3.881 -12.505 78 2HE LYS 8 2HE LYS 8 -2.174 5.562 -12.114 79 1HZ LYS 8 1HZ LYS 8 -0.627 6.275 -13.737 80 2HZ LYS 8 2HZ LYS 8 -0.194 4.730 -14.111 81 3HZ LYS 8 3HZ LYS 8 -1.721 5.262 -14.429 82 H LEU 9 H LEU 9 4.139 1.942 -9.300 83 HA LEU 9 HA LEU 9 4.351 -0.193 -11.274 84 1HB LEU 9 1HB LEU 9 6.227 0.977 -9.216 85 2HB LEU 9 2HB LEU 9 6.651 -0.455 -10.148 86 HG LEU 9 HG LEU 9 5.786 2.056 -11.592 87 1HD1 LEU 9 1HD1 LEU 9 7.659 2.762 -10.167 88 2HD1 LEU 9 2HD1 LEU 9 8.616 1.366 -10.681 89 3HD1 LEU 9 3HD1 LEU 9 8.190 2.634 -11.843 90 1HD2 LEU 9 1HD2 LEU 9 7.624 -0.283 -12.317 91 2HD2 LEU 9 2HD2 LEU 9 5.948 -0.095 -12.866 92 3HD2 LEU 9 3HD2 LEU 9 7.181 1.059 -13.387 93 H GLU 10 H GLU 10 4.231 -0.012 -7.643 94 HA GLU 10 HA GLU 10 4.594 -2.720 -7.103 95 1HB GLU 10 1HB GLU 10 2.877 -0.750 -5.657 96 2HB GLU 10 2HB GLU 10 3.226 -2.406 -5.193 97 1HG GLU 10 1HG GLU 10 5.453 -0.366 -5.457 98 2HG GLU 10 2HG GLU 10 4.547 -0.652 -3.979 99 H LEU 11 H LEU 11 1.568 -1.046 -8.019 100 HA LEU 11 HA LEU 11 -0.221 -3.184 -7.705 101 1HB LEU 11 1HB LEU 11 -0.966 -0.982 -8.233 102 2HB LEU 11 2HB LEU 11 -0.132 -0.960 -9.785 103 HG LEU 11 HG LEU 11 -2.140 -3.160 -9.389 104 1HD1 LEU 11 1HD1 LEU 11 -3.322 -1.269 -8.386 105 2HD1 LEU 11 2HD1 LEU 11 -2.949 -0.254 -9.796 106 3HD1 LEU 11 3HD1 LEU 11 -4.018 -1.664 -9.966 107 1HD2 LEU 11 1HD2 LEU 11 -1.572 -1.224 -11.694 108 2HD2 LEU 11 2HD2 LEU 11 -0.909 -2.860 -11.571 109 3HD2 LEU 11 3HD2 LEU 11 -2.649 -2.631 -11.753 110 H GLN 12 H GLN 12 2.076 -2.606 -10.394 111 HA GLN 12 HA GLN 12 1.058 -4.709 -12.073 112 1HB GLN 12 1HB GLN 12 3.888 -3.597 -11.967 113 2HB GLN 12 2HB GLN 12 3.173 -4.581 -13.244 114 1HG GLN 12 1HG GLN 12 1.417 -2.778 -13.569 115 2HG GLN 12 2HG GLN 12 2.364 -1.741 -12.488 116 1HE2 GLN 12 2HE2 GLN 12 4.969 -2.178 -13.196 117 2HE2 GLN 12 1HE2 GLN 12 5.211 -1.800 -14.895 118 H LEU 13 H LEU 13 3.118 -4.701 -9.215 119 HA LEU 13 HA LEU 13 4.366 -7.266 -9.735 120 1HB LEU 13 1HB LEU 13 4.133 -5.857 -7.066 121 2HB LEU 13 2HB LEU 13 5.259 -7.110 -7.575 122 HG LEU 13 HG LEU 13 5.170 -4.238 -8.570 123 1HD1 LEU 13 1HD1 LEU 13 6.206 -5.255 -6.209 124 2HD1 LEU 13 2HD1 LEU 13 7.594 -5.360 -7.306 125 3HD1 LEU 13 3HD1 LEU 13 6.799 -3.818 -7.029 126 1HD2 LEU 13 1HD2 LEU 13 7.069 -6.480 -9.362 127 2HD2 LEU 13 2HD2 LEU 13 5.935 -5.620 -10.432 128 3HD2 LEU 13 3HD2 LEU 13 7.295 -4.747 -9.704 129 H ILE 14 H ILE 14 1.703 -6.015 -7.636 130 HA ILE 14 HA ILE 14 1.006 -8.645 -6.606 131 HB ILE 14 HB ILE 14 -0.288 -5.919 -6.669 132 1HG1 ILE 14 1HG1 ILE 14 -0.223 -6.216 -4.259 133 2HG1 ILE 14 2HG1 ILE 14 0.192 -7.928 -4.413 134 1HG2 ILE 14 1HG2 ILE 14 -2.231 -7.325 -7.134 135 2HG2 ILE 14 2HG2 ILE 14 -1.747 -8.474 -5.864 136 3HG2 ILE 14 3HG2 ILE 14 -2.254 -6.827 -5.443 137 1HD1 ILE 14 1HD1 ILE 14 2.423 -7.331 -5.299 138 2HD1 ILE 14 2HD1 ILE 14 1.968 -5.631 -5.318 139 3HD1 ILE 14 3HD1 ILE 14 2.115 -6.530 -3.779 140 H LYS 15 H LYS 15 -0.105 -6.780 -9.423 141 HA LYS 15 HA LYS 15 -1.956 -8.723 -10.388 142 1HB LYS 15 1HB LYS 15 -1.949 -6.503 -11.179 143 2HB LYS 15 2HB LYS 15 -0.262 -6.557 -11.661 144 1HG LYS 15 1HG LYS 15 -2.204 -8.449 -13.004 145 2HG LYS 15 2HG LYS 15 -2.247 -6.722 -13.403 146 1HD LYS 15 1HD LYS 15 0.216 -6.760 -13.840 147 2HD LYS 15 2HD LYS 15 0.208 -8.516 -13.617 148 1HE LYS 15 1HE LYS 15 -1.418 -8.762 -15.483 149 2HE LYS 15 2HE LYS 15 -1.444 -6.999 -15.698 150 1HZ LYS 15 1HZ LYS 15 0.888 -7.101 -16.215 151 2HZ LYS 15 2HZ LYS 15 0.888 -8.745 -16.043 152 3HZ LYS 15 3HZ LYS 15 0.009 -8.040 -17.243 153 H GLN 16 H GLN 16 1.595 -8.330 -10.948 154 HA GLN 16 HA GLN 16 1.728 -10.661 -12.636 155 1HB GLN 16 1HB GLN 16 3.792 -8.922 -11.262 156 2HB GLN 16 2HB GLN 16 4.282 -10.464 -11.939 157 1HG GLN 16 1HG GLN 16 2.840 -8.322 -13.541 158 2HG GLN 16 2HG GLN 16 4.594 -8.584 -13.534 159 1HE2 GLN 16 2HE2 GLN 16 3.152 -8.769 -15.981 160 2HE2 GLN 16 1HE2 GLN 16 3.100 -10.474 -16.432 161 H TYR 17 H TYR 17 1.921 -10.224 -9.150 162 HA TYR 17 HA TYR 17 2.976 -12.822 -8.575 163 1HB TYR 17 1HB TYR 17 1.503 -10.689 -7.025 164 2HB TYR 17 2HB TYR 17 1.700 -12.245 -6.310 165 HD1 TYR 17 HD1 TYR 17 2.782 -9.420 -5.488 166 HD2 TYR 17 HD2 TYR 17 4.412 -13.103 -6.913 167 HE1 TYR 17 HE1 TYR 17 4.914 -8.914 -4.332 168 HE2 TYR 17 HE2 TYR 17 6.556 -12.597 -5.811 169 HH TYR 17 HH TYR 17 7.763 -11.033 -4.553 170 H ARG 18 H ARG 18 -0.232 -11.596 -9.388 171 HA ARG 18 HA ARG 18 -1.542 -14.101 -8.527 172 1HB ARG 18 1HB ARG 18 -2.548 -11.707 -10.116 173 2HB ARG 18 2HB ARG 18 -3.423 -13.243 -9.999 174 1HG ARG 18 1HG ARG 18 -3.256 -13.078 -7.483 175 2HG ARG 18 2HG ARG 18 -2.677 -11.418 -7.684 176 1HD ARG 18 1HD ARG 18 -4.820 -10.659 -8.126 177 2HD ARG 18 2HD ARG 18 -5.119 -11.950 -9.274 178 HE ARG 18 HE ARG 18 -6.186 -13.202 -7.722 179 1HH1 ARG 18 1HH2 ARG 18 -4.365 -10.689 -6.074 180 2HH1 ARG 18 2HH2 ARG 18 -5.011 -11.023 -4.492 181 1HH2 ARG 18 1HH1 ARG 18 -7.011 -13.728 -5.658 182 2HH2 ARG 18 2HH1 ARG 18 -6.540 -12.814 -4.251 183 H GLU 19 H GLU 19 -0.547 -12.557 -11.502 184 HA GLU 19 HA GLU 19 -1.147 -14.588 -13.345 185 1HB GLU 19 1HB GLU 19 -0.278 -12.273 -13.811 186 2HB GLU 19 2HB GLU 19 1.345 -12.861 -13.415 187 1HG GLU 19 1HG GLU 19 1.375 -14.355 -15.271 188 2HG GLU 19 2HG GLU 19 -0.361 -14.152 -15.559 189 H ALA 20 H ALA 20 1.784 -14.205 -11.271 190 HA ALA 20 HA ALA 20 2.860 -16.714 -12.263 191 1HB ALA 20 1HB ALA 20 4.323 -14.860 -11.993 192 2HB ALA 20 2HB ALA 20 3.796 -14.624 -10.351 193 3HB ALA 20 3HB ALA 20 4.792 -16.049 -10.769 194 H LEU 21 H LEU 21 1.060 -15.790 -9.350 195 HA LEU 21 HA LEU 21 1.613 -17.861 -7.626 196 1HB LEU 21 1HB LEU 21 0.144 -16.121 -6.944 197 2HB LEU 21 2HB LEU 21 -0.980 -16.456 -8.268 198 HG LEU 21 HG LEU 21 -1.690 -18.539 -7.181 199 1HD1 LEU 21 1HD1 LEU 21 0.468 -18.941 -5.817 200 2HD1 LEU 21 2HD1 LEU 21 -0.110 -17.662 -4.728 201 3HD1 LEU 21 3HD1 LEU 21 -1.058 -19.125 -4.932 202 1HD2 LEU 21 1HD2 LEU 21 -1.786 -16.104 -5.341 203 2HD2 LEU 21 2HD2 LEU 21 -2.852 -16.376 -6.731 204 3HD2 LEU 21 3HD2 LEU 21 -2.917 -17.474 -5.343 205 H GLU 22 H GLU 22 -0.622 -18.030 -10.405 206 HA GLU 22 HA GLU 22 -1.536 -20.698 -9.776 207 1HB GLU 22 1HB GLU 22 -1.649 -19.015 -12.323 208 2HB GLU 22 2HB GLU 22 -2.340 -20.639 -12.204 209 1HG GLU 22 1HG GLU 22 -3.129 -18.347 -10.349 210 2HG GLU 22 2HG GLU 22 -4.005 -18.803 -11.816 211 H TYR 23 H TYR 23 0.881 -19.389 -12.057 212 HA TYR 23 HA TYR 23 1.596 -21.917 -13.173 213 1HB TYR 23 1HB TYR 23 2.066 -19.446 -13.922 214 2HB TYR 23 2HB TYR 23 3.498 -19.577 -12.912 215 HD1 TYR 23 HD1 TYR 23 1.674 -20.941 -15.853 216 HD2 TYR 23 HD2 TYR 23 5.446 -20.764 -13.777 217 HE1 TYR 23 HE1 TYR 23 2.831 -21.628 -17.916 218 HE2 TYR 23 HE2 TYR 23 6.608 -21.466 -15.847 219 HH TYR 23 HH TYR 23 4.859 -22.144 -18.888 220 H VAL 24 H VAL 24 2.600 -20.155 -10.290 221 HA VAL 24 HA VAL 24 4.848 -21.942 -9.726 222 HB VAL 24 HB VAL 24 3.651 -19.583 -8.194 223 1HG1 VAL 24 1HG1 VAL 24 6.152 -21.291 -7.696 224 2HG1 VAL 24 2HG1 VAL 24 5.890 -19.699 -6.969 225 3HG1 VAL 24 3HG1 VAL 24 4.797 -21.036 -6.581 226 1HG2 VAL 24 1HG2 VAL 24 6.281 -19.915 -9.756 227 2HG2 VAL 24 2HG2 VAL 24 4.865 -19.117 -10.432 228 3HG2 VAL 24 3HG2 VAL 24 5.667 -18.425 -9.016 229 H LYS 25 H LYS 25 1.453 -21.756 -8.780 230 HA LYS 25 HA LYS 25 0.164 -23.069 -7.481 231 1HB LYS 25 1HB LYS 25 2.152 -24.961 -8.675 232 2HB LYS 25 2HB LYS 25 1.233 -25.591 -7.316 233 1HG LYS 25 1HG LYS 25 -0.883 -24.982 -8.394 234 2HG LYS 25 2HG LYS 25 0.008 -24.393 -9.813 235 1HD LYS 25 1HD LYS 25 0.929 -26.605 -10.233 236 2HD LYS 25 2HD LYS 25 0.261 -27.231 -8.712 237 1HE LYS 25 1HE LYS 25 -2.050 -26.811 -9.548 238 2HE LYS 25 2HE LYS 25 -1.383 -26.220 -11.082 239 1HZ LYS 25 1HZ LYS 25 -0.430 -28.383 -11.423 240 2HZ LYS 25 2HZ LYS 25 -1.028 -28.926 -9.986 241 3HZ LYS 25 3HZ LYS 25 -2.058 -28.507 -11.202 242 H LEU 26 H LEU 26 1.511 -21.358 -5.957 243 HA LEU 26 HA LEU 26 2.247 -22.948 -3.512 244 1HB LEU 26 1HB LEU 26 4.236 -21.989 -4.402 245 2HB LEU 26 2HB LEU 26 3.442 -20.426 -4.614 246 HG LEU 26 HG LEU 26 3.203 -20.223 -2.132 247 1HD1 LEU 26 1HD1 LEU 26 3.287 -22.509 -1.335 248 2HD1 LEU 26 2HD1 LEU 26 4.869 -22.772 -2.097 249 3HD1 LEU 26 3HD1 LEU 26 4.716 -21.678 -0.715 250 1HD2 LEU 26 1HD2 LEU 26 6.084 -20.599 -2.953 251 2HD2 LEU 26 2HD2 LEU 26 5.083 -19.208 -3.420 252 3HD2 LEU 26 3HD2 LEU 26 5.390 -19.516 -1.721 253 HA PRO 27 HA PRO 27 -1.439 -20.469 -2.372 254 1HB PRO 27 1HB PRO 27 -1.792 -21.425 0.212 255 2HB PRO 27 2HB PRO 27 -2.420 -22.192 -1.272 256 1HG PRO 27 1HG PRO 27 0.126 -22.861 0.220 257 2HG PRO 27 2HG PRO 27 -1.109 -23.991 -0.406 258 1HD PRO 27 1HD PRO 27 1.161 -23.543 -1.763 259 2HD PRO 27 2HD PRO 27 -0.374 -23.656 -2.665 260 H VAL 28 H VAL 28 1.524 -20.806 -0.354 261 HA VAL 28 HA VAL 28 1.213 -18.562 1.302 262 HB VAL 28 HB VAL 28 3.674 -19.713 0.061 263 1HG1 VAL 28 1HG1 VAL 28 4.356 -17.508 0.474 264 2HG1 VAL 28 2HG1 VAL 28 3.350 -17.364 1.944 265 3HG1 VAL 28 3HG1 VAL 28 4.805 -18.334 1.968 266 1HG2 VAL 28 1HG2 VAL 28 2.732 -19.727 2.945 267 2HG2 VAL 28 2HG2 VAL 28 2.536 -21.101 1.819 268 3HG2 VAL 28 3HG2 VAL 28 4.157 -20.546 2.283 269 H LEU 29 H LEU 29 1.773 -18.634 -2.178 270 HA LEU 29 HA LEU 29 3.091 -16.073 -2.335 271 1HB LEU 29 1HB LEU 29 2.489 -18.170 -4.199 272 2HB LEU 29 2HB LEU 29 1.812 -16.668 -4.828 273 HG LEU 29 HG LEU 29 4.671 -16.853 -3.855 274 1HD1 LEU 29 1HD1 LEU 29 4.301 -18.524 -5.659 275 2HD1 LEU 29 2HD1 LEU 29 3.638 -17.251 -6.697 276 3HD1 LEU 29 3HD1 LEU 29 5.333 -17.189 -6.189 277 1HD2 LEU 29 1HD2 LEU 29 3.244 -14.977 -5.803 278 2HD2 LEU 29 2HD2 LEU 29 3.676 -14.559 -4.132 279 3HD2 LEU 29 3HD2 LEU 29 4.950 -14.892 -5.319 280 H ALA 30 H ALA 30 -0.339 -17.201 -2.019 281 HA ALA 30 HA ALA 30 -1.275 -14.830 -3.177 282 1HB ALA 30 1HB ALA 30 -2.582 -16.958 -3.157 283 2HB ALA 30 2HB ALA 30 -2.718 -16.854 -1.394 284 3HB ALA 30 3HB ALA 30 -3.491 -15.624 -2.415 285 H LYS 31 H LYS 31 -0.348 -16.086 -0.027 286 HA LYS 31 HA LYS 31 -1.803 -14.075 1.603 287 1HB LYS 31 1HB LYS 31 0.240 -16.249 2.198 288 2HB LYS 31 2HB LYS 31 -0.403 -15.173 3.449 289 1HG LYS 31 1HG LYS 31 -2.564 -15.996 3.291 290 2HG LYS 31 2HG LYS 31 -2.386 -16.544 1.623 291 1HD LYS 31 1HD LYS 31 -1.022 -18.420 2.257 292 2HD LYS 31 2HD LYS 31 -0.972 -17.892 3.956 293 1HE LYS 31 1HE LYS 31 -3.390 -18.207 4.178 294 2HE LYS 31 2HE LYS 31 -3.556 -18.539 2.444 295 1HZ LYS 31 1HZ LYS 31 -2.277 -20.508 2.731 296 2HZ LYS 31 2HZ LYS 31 -2.062 -20.208 4.339 297 3HZ LYS 31 3HZ LYS 31 -3.569 -20.524 3.752 298 H ILE 32 H ILE 32 1.245 -14.679 0.488 299 HA ILE 32 HA ILE 32 2.967 -12.550 1.474 300 HB ILE 32 HB ILE 32 3.035 -14.370 -0.938 301 1HG1 ILE 32 1HG1 ILE 32 4.993 -13.769 1.320 302 2HG1 ILE 32 2HG1 ILE 32 3.912 -15.162 1.197 303 1HG2 ILE 32 1HG2 ILE 32 3.788 -12.169 -1.903 304 2HG2 ILE 32 2HG2 ILE 32 5.064 -12.129 -0.677 305 3HG2 ILE 32 3HG2 ILE 32 5.009 -13.402 -1.898 306 1HD1 ILE 32 1HD1 ILE 32 5.164 -15.764 -0.978 307 2HD1 ILE 32 2HD1 ILE 32 6.360 -14.528 -0.509 308 3HD1 ILE 32 3HD1 ILE 32 6.058 -15.905 0.542 309 H LEU 33 H LEU 33 1.175 -12.979 -1.655 310 HA LEU 33 HA LEU 33 1.733 -10.256 -2.316 311 1HB LEU 33 1HB LEU 33 0.777 -10.805 -4.376 312 2HB LEU 33 2HB LEU 33 1.321 -12.366 -3.769 313 HG LEU 33 HG LEU 33 -0.984 -12.787 -3.030 314 1HD1 LEU 33 1HD1 LEU 33 -2.302 -10.963 -2.895 315 2HD1 LEU 33 2HD1 LEU 33 -1.347 -10.058 -4.097 316 3HD1 LEU 33 3HD1 LEU 33 -2.546 -11.264 -4.620 317 1HD2 LEU 33 1HD2 LEU 33 -0.521 -12.192 -5.966 318 2HD2 LEU 33 2HD2 LEU 33 0.099 -13.625 -5.114 319 3HD2 LEU 33 3HD2 LEU 33 -1.648 -13.404 -5.307 320 H GLU 34 H GLU 34 -0.978 -11.681 -0.606 321 HA GLU 34 HA GLU 34 -2.576 -9.335 -0.569 322 1HB GLU 34 1HB GLU 34 -3.047 -11.762 0.246 323 2HB GLU 34 2HB GLU 34 -2.308 -11.268 1.762 324 1HG GLU 34 1HG GLU 34 -3.993 -9.474 2.001 325 2HG GLU 34 2HG GLU 34 -4.689 -9.903 0.427 326 H ASP 35 H ASP 35 -0.039 -10.507 1.627 327 HA ASP 35 HA ASP 35 -0.085 -8.351 3.459 328 1HB ASP 35 1HB ASP 35 1.125 -10.563 3.749 329 2HB ASP 35 2HB ASP 35 2.373 -9.951 2.655 330 H GLU 36 H GLU 36 1.944 -8.833 0.528 331 HA GLU 36 HA GLU 36 3.231 -6.312 0.560 332 1HB GLU 36 1HB GLU 36 2.381 -7.949 -1.856 333 2HB GLU 36 2HB GLU 36 3.562 -6.628 -1.844 334 1HG GLU 36 1HG GLU 36 3.935 -9.193 -0.227 335 2HG GLU 36 2HG GLU 36 4.556 -8.939 -1.851 336 H GLU 37 H GLU 37 0.083 -7.259 -1.066 337 HA GLU 37 HA GLU 37 -0.675 -4.824 -2.001 338 1HB GLU 37 1HB GLU 37 -1.862 -7.299 -1.677 339 2HB GLU 37 2HB GLU 37 -2.840 -6.342 -0.584 340 1HG GLU 37 1HG GLU 37 -2.259 -5.369 -3.396 341 2HG GLU 37 2HG GLU 37 -3.358 -6.717 -3.123 342 H LYS 38 H LYS 38 -1.113 -5.962 1.374 343 HA LYS 38 HA LYS 38 -2.364 -3.566 2.319 344 1HB LYS 38 1HB LYS 38 -2.223 -5.906 3.406 345 2HB LYS 38 2HB LYS 38 -0.559 -5.520 3.799 346 1HG LYS 38 1HG LYS 38 -1.459 -5.030 5.769 347 2HG LYS 38 2HG LYS 38 -1.590 -3.424 5.063 348 1HD LYS 38 1HD LYS 38 -3.851 -5.496 4.990 349 2HD LYS 38 2HD LYS 38 -3.605 -4.407 6.357 350 1HE LYS 38 1HE LYS 38 -3.864 -2.431 4.870 351 2HE LYS 38 2HE LYS 38 -4.183 -3.505 3.500 352 1HZ LYS 38 1HZ LYS 38 -6.083 -4.327 4.609 353 2HZ LYS 38 2HZ LYS 38 -5.797 -3.389 5.936 354 3HZ LYS 38 3HZ LYS 38 -6.162 -2.685 4.490 355 H HIS 39 H HIS 39 1.086 -4.526 2.250 356 HA HIS 39 HA HIS 39 2.060 -2.098 3.393 357 1HB HIS 39 1HB HIS 39 3.249 -4.284 1.689 358 2HB HIS 39 2HB HIS 39 4.123 -2.784 1.866 359 HD1 HIS 39 HD1 HIS 39 4.621 -2.050 4.518 360 HD2 HIS 39 HD2 HIS 39 3.357 -5.984 3.758 361 HE1 HIS 39 HE1 HIS 39 5.066 -3.375 6.668 362 HE2 HIS 39 HE2 HIS 39 4.341 -5.798 6.161 363 H ILE 40 H ILE 40 1.172 -2.876 0.047 364 HA ILE 40 HA ILE 40 2.225 -0.416 -1.061 365 HB ILE 40 HB ILE 40 0.379 -2.511 -2.221 366 1HG1 ILE 40 1HG1 ILE 40 3.273 -2.119 -3.007 367 2HG1 ILE 40 2HG1 ILE 40 2.962 -3.023 -1.552 368 1HG2 ILE 40 1HG2 ILE 40 0.209 -0.394 -3.535 369 2HG2 ILE 40 2HG2 ILE 40 1.979 -0.311 -3.614 370 3HG2 ILE 40 3HG2 ILE 40 1.098 -1.604 -4.445 371 1HD1 ILE 40 1HD1 ILE 40 1.535 -4.588 -2.739 372 2HD1 ILE 40 2HD1 ILE 40 1.738 -3.699 -4.241 373 3HD1 ILE 40 3HD1 ILE 40 3.147 -4.484 -3.478 374 H GLU 41 H GLU 41 -0.903 -1.575 0.148 375 HA GLU 41 HA GLU 41 -2.646 0.392 -0.785 376 1HB GLU 41 1HB GLU 41 -3.268 -1.747 0.386 377 2HB GLU 41 2HB GLU 41 -2.649 -1.062 1.892 378 1HG GLU 41 1HG GLU 41 -4.470 0.865 0.852 379 2HG GLU 41 2HG GLU 41 -5.223 -0.716 0.615 380 H TRP 42 H TRP 42 -0.451 0.243 2.067 381 HA TRP 42 HA TRP 42 -1.062 2.591 3.342 382 1HB TRP 42 1HB TRP 42 0.740 0.739 3.712 383 2HB TRP 42 2HB TRP 42 1.790 1.782 2.769 384 HD1 TRP 42 HD1 TRP 42 0.008 1.606 6.104 385 HE1 TRP 42 HE1 TRP 42 0.936 3.426 7.678 386 HE3 TRP 42 HE3 TRP 42 2.772 4.113 2.733 387 HZ2 TRP 42 HZ2 TRP 42 2.779 5.699 7.453 388 HZ3 TRP 42 HZ3 TRP 42 4.043 6.195 3.367 389 HH2 TRP 42 HH2 TRP 42 4.059 6.952 5.740 390 H LEU 43 H LEU 43 0.714 2.203 0.300 391 HA LEU 43 HA LEU 43 1.383 5.064 0.114 392 1HB LEU 43 1HB LEU 43 1.827 2.857 -1.910 393 2HB LEU 43 2HB LEU 43 2.359 4.543 -1.999 394 HG LEU 43 HG LEU 43 3.427 3.812 0.442 395 1HD1 LEU 43 1HD1 LEU 43 2.759 1.452 0.103 396 2HD1 LEU 43 2HD1 LEU 43 3.626 1.413 -1.445 397 3HD1 LEU 43 3HD1 LEU 43 4.523 1.603 0.076 398 1HD2 LEU 43 1HD2 LEU 43 4.542 3.549 -2.347 399 2HD2 LEU 43 2HD2 LEU 43 4.644 4.999 -1.337 400 3HD2 LEU 43 3HD2 LEU 43 5.574 3.546 -0.898 401 H GLU 44 H GLU 44 -0.908 2.708 -1.342 402 HA GLU 44 HA GLU 44 -2.206 4.860 -2.924 403 1HB GLU 44 1HB GLU 44 -3.051 1.974 -2.457 404 2HB GLU 44 2HB GLU 44 -3.863 3.146 -3.492 405 1HG GLU 44 1HG GLU 44 -1.232 3.334 -4.334 406 2HG GLU 44 2HG GLU 44 -1.397 1.602 -4.020 407 H THR 45 H THR 45 -1.954 5.438 -0.171 408 HA THR 45 HA THR 45 -4.701 6.203 0.333 409 HB THR 45 HB THR 45 -4.086 3.739 1.204 410 HG1 THR 45 HG1 THR 45 -6.119 4.617 1.231 411 1HG2 THR 45 1HG2 THR 45 -2.399 4.378 2.744 412 2HG2 THR 45 2HG2 THR 45 -3.576 5.300 3.702 413 3HG2 THR 45 3HG2 THR 45 -3.737 3.529 3.503 414 H ILE 46 H ILE 46 -1.333 6.055 1.345 415 HA ILE 46 HA ILE 46 -1.425 8.157 3.172 416 HB ILE 46 HB ILE 46 0.594 6.801 2.649 417 1HG1 ILE 46 1HG1 ILE 46 2.252 8.646 3.037 418 2HG1 ILE 46 2HG1 ILE 46 0.915 9.804 2.916 419 1HG2 ILE 46 1HG2 ILE 46 0.566 7.332 0.123 420 2HG2 ILE 46 2HG2 ILE 46 1.375 8.840 0.578 421 3HG2 ILE 46 3HG2 ILE 46 2.124 7.286 0.971 422 1HD1 ILE 46 1HD1 ILE 46 -0.193 8.739 4.832 423 2HD1 ILE 46 2HD1 ILE 46 0.991 7.412 4.808 424 3HD1 ILE 46 3HD1 ILE 46 1.503 9.058 5.249 425 H LEU 47 H LEU 47 -2.851 9.693 2.757 426 HA LEU 47 HA LEU 47 -3.705 11.675 2.148 427 1HB LEU 47 1HB LEU 47 -1.119 12.018 0.605 428 2HB LEU 47 2HB LEU 47 -2.496 12.995 0.170 429 HG LEU 47 HG LEU 47 -0.918 14.069 1.712 430 1HD1 LEU 47 1HD1 LEU 47 -3.266 14.822 1.517 431 2HD1 LEU 47 2HD1 LEU 47 -3.713 13.790 2.891 432 3HD1 LEU 47 3HD1 LEU 47 -2.575 15.127 3.118 433 1HD2 LEU 47 1HD2 LEU 47 -1.970 12.172 3.850 434 2HD2 LEU 47 2HD2 LEU 47 -0.351 12.101 3.115 435 3HD2 LEU 47 3HD2 LEU 47 -0.835 13.517 4.068 436 H GLY 48 H GLY 48 -4.851 12.666 0.228 437 1HA GLY 48 1HA GLY 48 -5.293 11.102 -2.114 438 2HA GLY 48 2HA GLY 48 -6.525 10.756 -0.872 439 1HN NH2 49 1HN NH2 49 -7.513 11.934 -3.106 440 2HN NH2 49 2HN NH2 49 -7.837 13.667 -2.833 441 1H ACE 0 H1 ACE 0 13.426 -18.555 -14.979 442 2H ACE 0 H2 ACE 0 12.209 -19.169 -16.120 443 3H ACE 0 H3 ACE 0 13.650 -18.319 -16.724 444 H ASP 1 H ASP 1 11.333 -17.394 -17.641 445 HA ASP 1 HA ASP 1 11.593 -14.720 -17.278 446 1HB ASP 1 1HB ASP 1 10.427 -15.771 -19.181 447 2HB ASP 1 2HB ASP 1 9.028 -16.120 -18.146 448 H TYR 2 H TYR 2 8.785 -16.495 -15.891 449 HA TYR 2 HA TYR 2 7.512 -14.752 -14.201 450 1HB TYR 2 1HB TYR 2 8.485 -17.629 -13.844 451 2HB TYR 2 2HB TYR 2 7.471 -16.801 -12.689 452 HD1 TYR 2 HD1 TYR 2 7.594 -18.084 -16.154 453 HD2 TYR 2 HD2 TYR 2 5.144 -16.586 -12.986 454 HE1 TYR 2 HE1 TYR 2 5.560 -18.807 -17.373 455 HE2 TYR 2 HE2 TYR 2 3.092 -17.203 -14.273 456 HH TYR 2 HH TYR 2 3.282 -18.490 -17.596 457 H LEU 3 H LEU 3 10.544 -16.539 -13.412 458 HA LEU 3 HA LEU 3 10.631 -15.301 -10.835 459 1HB LEU 3 1HB LEU 3 12.925 -16.647 -12.369 460 2HB LEU 3 2HB LEU 3 12.908 -16.313 -10.639 461 HG LEU 3 HG LEU 3 11.041 -18.269 -12.065 462 1HD1 LEU 3 1HD1 LEU 3 13.396 -19.008 -12.081 463 2HD1 LEU 3 2HD1 LEU 3 13.497 -18.755 -10.325 464 3HD1 LEU 3 3HD1 LEU 3 12.423 -20.004 -10.987 465 1HD2 LEU 3 1HD2 LEU 3 11.493 -17.696 -9.096 466 2HD2 LEU 3 2HD2 LEU 3 10.003 -17.375 -10.013 467 3HD2 LEU 3 3HD2 LEU 3 10.533 -19.040 -9.746 468 H ARG 4 H ARG 4 12.431 -14.698 -13.839 469 HA ARG 4 HA ARG 4 13.839 -12.440 -12.770 470 1HB ARG 4 1HB ARG 4 12.988 -13.008 -15.637 471 2HB ARG 4 2HB ARG 4 14.094 -11.730 -15.105 472 1HG ARG 4 1HG ARG 4 15.497 -13.567 -13.983 473 2HG ARG 4 2HG ARG 4 14.512 -14.739 -14.876 474 1HD ARG 4 1HD ARG 4 15.204 -13.659 -17.012 475 2HD ARG 4 2HD ARG 4 16.163 -12.479 -16.081 476 HE ARG 4 HE ARG 4 16.873 -15.188 -15.408 477 1HH1 ARG 4 1HH2 ARG 4 17.310 -12.746 -17.907 478 2HH1 ARG 4 2HH2 ARG 4 18.883 -13.307 -18.402 479 1HH2 ARG 4 1HH1 ARG 4 18.899 -15.977 -16.049 480 2HH2 ARG 4 2HH1 ARG 4 19.801 -15.218 -17.329 481 H GLU 5 H GLU 5 10.444 -12.831 -13.493 482 HA GLU 5 HA GLU 5 10.062 -9.928 -14.030 483 1HB GLU 5 1HB GLU 5 8.139 -12.279 -13.882 484 2HB GLU 5 2HB GLU 5 7.598 -10.605 -13.967 485 1HG GLU 5 1HG GLU 5 8.684 -10.248 -16.087 486 2HG GLU 5 2HG GLU 5 9.513 -11.801 -16.010 487 H LEU 6 H LEU 6 8.735 -12.269 -11.648 488 HA LEU 6 HA LEU 6 8.008 -10.278 -9.724 489 1HB LEU 6 1HB LEU 6 8.458 -13.260 -9.523 490 2HB LEU 6 2HB LEU 6 7.883 -12.244 -8.199 491 HG LEU 6 HG LEU 6 5.715 -11.818 -9.314 492 1HD1 LEU 6 1HD1 LEU 6 6.445 -11.783 -11.685 493 2HD1 LEU 6 2HD1 LEU 6 6.695 -13.546 -11.605 494 3HD1 LEU 6 3HD1 LEU 6 5.089 -12.840 -11.354 495 1HD2 LEU 6 1HD2 LEU 6 6.434 -14.763 -9.525 496 2HD2 LEU 6 2HD2 LEU 6 6.457 -13.938 -7.966 497 3HD2 LEU 6 3HD2 LEU 6 4.973 -13.994 -8.853 498 H LEU 7 H LEU 7 11.164 -11.224 -10.640 499 HA LEU 7 HA LEU 7 12.223 -10.531 -8.024 500 1HB LEU 7 1HB LEU 7 13.146 -12.581 -8.921 501 2HB LEU 7 2HB LEU 7 13.623 -11.740 -10.414 502 HG LEU 7 HG LEU 7 15.240 -10.375 -9.238 503 1HD1 LEU 7 1HD1 LEU 7 14.232 -10.000 -7.068 504 2HD1 LEU 7 2HD1 LEU 7 14.186 -11.739 -6.725 505 3HD1 LEU 7 3HD1 LEU 7 15.740 -10.874 -6.806 506 1HD2 LEU 7 1HD2 LEU 7 15.468 -13.300 -8.439 507 2HD2 LEU 7 2HD2 LEU 7 15.847 -12.645 -10.044 508 3HD2 LEU 7 3HD2 LEU 7 16.803 -12.137 -8.644 509 H LYS 8 H LYS 8 12.962 -9.761 -11.520 510 HA LYS 8 HA LYS 8 14.585 -7.625 -10.704 511 1HB LYS 8 1HB LYS 8 13.379 -8.187 -13.436 512 2HB LYS 8 2HB LYS 8 14.521 -6.892 -13.084 513 1HG LYS 8 1HG LYS 8 16.197 -8.478 -12.278 514 2HG LYS 8 2HG LYS 8 15.115 -9.846 -12.609 515 1HD LYS 8 1HD LYS 8 15.151 -9.436 -14.971 516 2HD LYS 8 2HD LYS 8 15.875 -7.833 -14.770 517 1HE LYS 8 1HE LYS 8 17.968 -8.809 -13.941 518 2HE LYS 8 2HE LYS 8 17.292 -10.444 -14.059 519 1HZ LYS 8 1HZ LYS 8 17.112 -10.141 -16.408 520 2HZ LYS 8 2HZ LYS 8 17.667 -8.592 -16.310 521 3HZ LYS 8 3HZ LYS 8 18.663 -9.849 -15.934 522 H LEU 9 H LEU 9 11.149 -7.835 -11.609 523 HA LEU 9 HA LEU 9 10.782 -4.941 -11.775 524 1HB LEU 9 1HB LEU 9 8.767 -7.157 -11.279 525 2HB LEU 9 2HB LEU 9 8.377 -5.462 -11.529 526 HG LEU 9 HG LEU 9 9.947 -6.964 -13.637 527 1HD1 LEU 9 1HD1 LEU 9 7.864 -8.220 -13.266 528 2HD1 LEU 9 2HD1 LEU 9 6.918 -6.726 -13.394 529 3HD1 LEU 9 3HD1 LEU 9 7.805 -7.347 -14.804 530 1HD2 LEU 9 1HD2 LEU 9 8.105 -4.520 -13.719 531 2HD2 LEU 9 2HD2 LEU 9 9.875 -4.452 -13.760 532 3HD2 LEU 9 3HD2 LEU 9 8.991 -5.201 -15.093 533 H GLU 10 H GLU 10 10.900 -7.352 -9.178 534 HA GLU 10 HA GLU 10 9.778 -5.486 -7.203 535 1HB GLU 10 1HB GLU 10 11.389 -8.089 -6.991 536 2HB GLU 10 2HB GLU 10 10.880 -7.116 -5.648 537 1HG GLU 10 1HG GLU 10 8.952 -8.410 -7.627 538 2HG GLU 10 2HG GLU 10 9.450 -9.131 -6.096 539 H LEU 11 H LEU 11 13.019 -6.616 -8.115 540 HA LEU 11 HA LEU 11 14.466 -5.264 -6.155 541 1HB LEU 11 1HB LEU 11 15.248 -7.052 -7.872 542 2HB LEU 11 2HB LEU 11 15.469 -5.706 -8.990 543 HG LEU 11 HG LEU 11 16.877 -4.678 -6.949 544 1HD1 LEU 11 1HD1 LEU 11 16.275 -6.538 -5.374 545 2HD1 LEU 11 2HD1 LEU 11 17.086 -7.686 -6.455 546 3HD1 LEU 11 3HD1 LEU 11 18.022 -6.417 -5.641 547 1HD2 LEU 11 1HD2 LEU 11 17.907 -6.912 -8.743 548 2HD2 LEU 11 2HD2 LEU 11 17.811 -5.183 -9.150 549 3HD2 LEU 11 3HD2 LEU 11 18.911 -5.730 -7.873 550 H GLN 12 H GLN 12 13.542 -4.175 -9.431 551 HA GLN 12 HA GLN 12 14.857 -1.659 -9.455 552 1HB GLN 12 1HB GLN 12 12.313 -2.716 -10.734 553 2HB GLN 12 2HB GLN 12 12.879 -1.066 -11.022 554 1HG GLN 12 1HG GLN 12 14.947 -1.784 -11.970 555 2HG GLN 12 2HG GLN 12 14.699 -3.463 -11.469 556 1HE2 GLN 12 2HE2 GLN 12 12.655 -4.487 -12.322 557 2HE2 GLN 12 1HE2 GLN 12 12.228 -4.164 -14.006 558 H LEU 13 H LEU 13 11.688 -2.595 -8.104 559 HA LEU 13 HA LEU 13 10.791 0.030 -7.520 560 1HB LEU 13 1HB LEU 13 9.980 -2.587 -6.197 561 2HB LEU 13 2HB LEU 13 9.215 -1.030 -6.006 562 HG LEU 13 HG LEU 13 8.783 -3.061 -7.967 563 1HD1 LEU 13 1HD1 LEU 13 7.144 -1.701 -6.607 564 2HD1 LEU 13 2HD1 LEU 13 7.461 -0.320 -7.650 565 3HD1 LEU 13 3HD1 LEU 13 6.733 -1.807 -8.320 566 1HD2 LEU 13 1HD2 LEU 13 9.282 -0.325 -9.249 567 2HD2 LEU 13 2HD2 LEU 13 10.200 -1.795 -9.619 568 3HD2 LEU 13 3HD2 LEU 13 8.505 -1.725 -10.020 569 H ILE 14 H ILE 14 12.317 -2.523 -5.482 570 HA ILE 14 HA ILE 14 12.492 -0.907 -3.124 571 HB ILE 14 HB ILE 14 13.910 -3.348 -4.155 572 1HG1 ILE 14 1HG1 ILE 14 12.981 -4.337 -2.154 573 2HG1 ILE 14 2HG1 ILE 14 12.555 -2.758 -1.484 574 1HG2 ILE 14 1HG2 ILE 14 15.810 -2.200 -3.132 575 2HG2 ILE 14 2HG2 ILE 14 14.839 -1.840 -1.685 576 3HG2 ILE 14 3HG2 ILE 14 15.260 -3.510 -2.087 577 1HD1 ILE 14 1HD1 ILE 14 10.810 -2.447 -3.172 578 2HD1 ILE 14 2HD1 ILE 14 11.334 -3.926 -4.014 579 3HD1 ILE 14 3HD1 ILE 14 10.619 -4.010 -2.397 580 H LYS 15 H LYS 15 14.662 -0.920 -6.012 581 HA LYS 15 HA LYS 15 16.414 1.053 -4.885 582 1HB LYS 15 1HB LYS 15 16.097 -0.519 -7.314 583 2HB LYS 15 2HB LYS 15 16.194 1.160 -7.742 584 1HG LYS 15 1HG LYS 15 18.416 0.129 -7.716 585 2HG LYS 15 2HG LYS 15 18.335 1.313 -6.397 586 1HD LYS 15 1HD LYS 15 17.872 -0.554 -4.778 587 2HD LYS 15 2HD LYS 15 17.895 -1.714 -6.109 588 1HE LYS 15 1HE LYS 15 20.259 -1.280 -6.519 589 2HE LYS 15 2HE LYS 15 20.258 0.091 -5.392 590 1HZ LYS 15 1HZ LYS 15 19.812 -1.418 -3.616 591 2HZ LYS 15 2HZ LYS 15 19.780 -2.707 -4.641 592 3HZ LYS 15 3HZ LYS 15 21.181 -1.871 -4.410 593 H GLN 16 H GLN 16 13.399 1.288 -6.869 594 HA GLN 16 HA GLN 16 13.621 4.173 -7.180 595 1HB GLN 16 1HB GLN 16 11.377 2.176 -7.511 596 2HB GLN 16 2HB GLN 16 11.000 3.889 -7.397 597 1HG GLN 16 1HG GLN 16 11.139 3.329 -9.696 598 2HG GLN 16 2HG GLN 16 12.470 4.412 -9.297 599 1HE2 GLN 16 2HE2 GLN 16 14.670 3.373 -9.024 600 2HE2 GLN 16 1HE2 GLN 16 14.980 1.898 -9.931 601 H TYR 17 H TYR 17 12.285 2.103 -4.699 602 HA TYR 17 HA TYR 17 10.866 4.063 -3.190 603 1HB TYR 17 1HB TYR 17 11.895 1.263 -2.811 604 2HB TYR 17 2HB TYR 17 11.749 2.188 -1.358 605 HD1 TYR 17 HD1 TYR 17 9.745 2.277 -0.157 606 HD2 TYR 17 HD2 TYR 17 9.665 1.236 -4.343 607 HE1 TYR 17 HE1 TYR 17 7.475 1.334 0.115 608 HE2 TYR 17 HE2 TYR 17 7.355 0.438 -4.086 609 HH TYR 17 HH TYR 17 5.483 0.602 -2.645 610 H ARG 18 H ARG 18 14.251 3.117 -3.334 611 HA ARG 18 HA ARG 18 14.947 4.599 -0.883 612 1HB ARG 18 1HB ARG 18 16.605 3.209 -3.019 613 2HB ARG 18 2HB ARG 18 17.316 4.363 -1.880 614 1HG ARG 18 1HG ARG 18 16.370 3.052 0.024 615 2HG ARG 18 2HG ARG 18 15.838 1.813 -1.127 616 1HD ARG 18 1HD ARG 18 18.166 1.343 -1.749 617 2HD ARG 18 2HD ARG 18 18.724 2.797 -0.920 618 HE ARG 18 HE ARG 18 18.758 1.755 1.076 619 1HH1 ARG 18 1HH2 ARG 18 16.784 -0.174 -1.117 620 2HH1 ARG 18 2HH2 ARG 18 16.661 -1.543 -0.049 621 1HH2 ARG 18 1HH1 ARG 18 18.550 0.025 2.529 622 2HH2 ARG 18 2HH1 ARG 18 17.668 -1.411 2.093 623 H GLU 19 H GLU 19 15.119 4.996 -4.345 624 HA GLU 19 HA GLU 19 16.278 7.558 -4.473 625 1HB GLU 19 1HB GLU 19 15.514 5.849 -6.364 626 2HB GLU 19 2HB GLU 19 14.027 6.812 -6.330 627 1HG GLU 19 1HG GLU 19 15.563 8.867 -6.589 628 2HG GLU 19 2HG GLU 19 16.862 7.726 -6.945 629 H ALA 20 H ALA 20 12.833 6.605 -4.007 630 HA ALA 20 HA ALA 20 12.013 9.460 -3.931 631 1HB ALA 20 1HB ALA 20 10.657 7.571 -4.981 632 2HB ALA 20 2HB ALA 20 10.290 7.038 -3.354 633 3HB ALA 20 3HB ALA 20 9.767 8.641 -3.907 634 H LEU 21 H LEU 21 12.785 6.982 -1.540 635 HA LEU 21 HA LEU 21 11.616 7.747 0.719 636 1HB LEU 21 1HB LEU 21 13.474 5.997 0.325 637 2HB LEU 21 2HB LEU 21 14.633 7.271 0.642 638 HG LEU 21 HG LEU 21 14.376 5.824 2.521 639 1HD1 LEU 21 1HD1 LEU 21 14.633 8.279 3.071 640 2HD1 LEU 21 2HD1 LEU 21 12.878 8.297 3.418 641 3HD1 LEU 21 3HD1 LEU 21 13.952 7.250 4.344 642 1HD2 LEU 21 1HD2 LEU 21 11.428 6.491 2.483 643 2HD2 LEU 21 2HD2 LEU 21 12.162 4.902 2.146 644 3HD2 LEU 21 3HD2 LEU 21 12.234 5.615 3.775 645 H GLU 22 H GLU 22 14.504 9.407 -0.531 646 HA GLU 22 HA GLU 22 14.787 11.131 1.770 647 1HB GLU 22 1HB GLU 22 15.990 11.228 -1.036 648 2HB GLU 22 2HB GLU 22 16.425 12.347 0.262 649 1HG GLU 22 1HG GLU 22 16.728 9.313 0.482 650 2HG GLU 22 2HG GLU 22 18.018 10.427 0.018 651 H TYR 23 H TYR 23 13.177 11.405 -1.356 652 HA TYR 23 HA TYR 23 12.612 14.262 -1.083 653 1HB TYR 23 1HB TYR 23 12.091 12.076 -3.026 654 2HB TYR 23 2HB TYR 23 10.756 13.175 -2.852 655 HD1 TYR 23 HD1 TYR 23 14.465 13.069 -3.412 656 HD2 TYR 23 HD2 TYR 23 10.822 15.313 -3.945 657 HE1 TYR 23 HE1 TYR 23 15.627 14.580 -4.989 658 HE2 TYR 23 HE2 TYR 23 11.993 16.830 -5.523 659 HH TYR 23 HH TYR 23 15.407 16.347 -6.439 660 H VAL 24 H VAL 24 11.058 11.179 -0.284 661 HA VAL 24 HA VAL 24 8.552 12.521 0.429 662 HB VAL 24 HB VAL 24 9.448 9.644 0.709 663 1HG1 VAL 24 1HG1 VAL 24 7.620 10.043 2.286 664 2HG1 VAL 24 2HG1 VAL 24 6.707 10.953 1.068 665 3HG1 VAL 24 3HG1 VAL 24 6.952 9.208 0.881 666 1HG2 VAL 24 1HG2 VAL 24 7.644 11.054 -1.310 667 2HG2 VAL 24 2HG2 VAL 24 9.269 10.480 -1.662 668 3HG2 VAL 24 3HG2 VAL 24 8.003 9.313 -1.281 669 H LYS 25 H LYS 25 11.373 11.433 2.220 670 HA LYS 25 HA LYS 25 11.921 11.399 4.409 671 1HB LYS 25 1HB LYS 25 10.401 14.033 4.334 672 2HB LYS 25 2HB LYS 25 11.367 13.461 5.698 673 1HG LYS 25 1HG LYS 25 13.093 13.129 3.515 674 2HG LYS 25 2HG LYS 25 12.282 14.648 3.159 675 1HD LYS 25 1HD LYS 25 13.675 13.901 5.787 676 2HD LYS 25 2HD LYS 25 14.401 14.876 4.501 677 1HE LYS 25 1HE LYS 25 12.752 16.648 4.807 678 2HE LYS 25 2HE LYS 25 11.844 15.686 5.984 679 1HZ LYS 25 1HZ LYS 25 13.724 15.740 7.429 680 2HZ LYS 25 2HZ LYS 25 14.599 16.624 6.346 681 3HZ LYS 25 3HZ LYS 25 13.254 17.272 7.047 682 H LEU 26 H LEU 26 10.290 9.495 4.312 683 HA LEU 26 HA LEU 26 8.910 9.720 6.928 684 1HB LEU 26 1HB LEU 26 7.646 9.159 4.366 685 2HB LEU 26 2HB LEU 26 7.446 7.788 5.455 686 HG LEU 26 HG LEU 26 6.799 10.609 6.366 687 1HD1 LEU 26 1HD1 LEU 26 5.534 10.337 4.334 688 2HD1 LEU 26 2HD1 LEU 26 5.060 8.689 4.767 689 3HD1 LEU 26 3HD1 LEU 26 4.425 10.068 5.690 690 1HD2 LEU 26 1HD2 LEU 26 5.250 9.374 7.876 691 2HD2 LEU 26 2HD2 LEU 26 5.763 7.836 7.164 692 3HD2 LEU 26 3HD2 LEU 26 6.909 8.808 8.099 693 HA PRO 27 HA PRO 27 11.903 6.310 7.141 694 1HB PRO 27 1HB PRO 27 11.381 5.412 9.696 695 2HB PRO 27 2HB PRO 27 12.376 6.847 9.324 696 1HG PRO 27 1HG PRO 27 9.442 6.778 10.074 697 2HG PRO 27 2HG PRO 27 10.719 7.830 10.747 698 1HD PRO 27 1HD PRO 27 9.058 8.717 8.835 699 2HD PRO 27 2HD PRO 27 10.787 9.154 8.755 700 H VAL 28 H VAL 28 8.423 6.122 7.828 701 HA VAL 28 HA VAL 28 8.085 3.367 7.945 702 HB VAL 28 HB VAL 28 6.223 5.341 6.681 703 1HG1 VAL 28 1HG1 VAL 28 5.523 3.099 6.134 704 2HG1 VAL 28 2HG1 VAL 28 5.847 2.522 7.783 705 3HG1 VAL 28 3HG1 VAL 28 4.498 3.622 7.474 706 1HG2 VAL 28 1HG2 VAL 28 6.450 4.385 9.570 707 2HG2 VAL 28 2HG2 VAL 28 6.777 6.035 8.999 708 3HG2 VAL 28 3HG2 VAL 28 5.137 5.391 8.927 709 H LEU 29 H LEU 29 8.564 5.399 4.989 710 HA LEU 29 HA LEU 29 7.923 3.401 3.076 711 1HB LEU 29 1HB LEU 29 9.477 5.978 3.192 712 2HB LEU 29 2HB LEU 29 9.799 4.845 1.883 713 HG LEU 29 HG LEU 29 7.352 4.841 1.361 714 1HD1 LEU 29 1HD1 LEU 29 6.482 5.758 3.496 715 2HD1 LEU 29 2HD1 LEU 29 7.353 7.276 3.173 716 3HD1 LEU 29 3HD1 LEU 29 6.022 6.778 2.116 717 1HD2 LEU 29 1HD2 LEU 29 8.863 7.490 1.216 718 2HD2 LEU 29 2HD2 LEU 29 9.082 6.137 0.101 719 3HD2 LEU 29 3HD2 LEU 29 7.535 7.004 0.138 720 H ALA 30 H ALA 30 10.970 4.240 4.860 721 HA ALA 30 HA ALA 30 12.479 2.351 3.442 722 1HB ALA 30 1HB ALA 30 13.626 4.108 4.697 723 2HB ALA 30 2HB ALA 30 12.981 3.474 6.230 724 3HB ALA 30 3HB ALA 30 14.133 2.522 5.283 725 H LYS 31 H LYS 31 10.348 2.173 6.223 726 HA LYS 31 HA LYS 31 11.242 -0.447 7.117 727 1HB LYS 31 1HB LYS 31 9.865 1.396 8.404 728 2HB LYS 31 2HB LYS 31 8.464 0.688 7.579 729 1HG LYS 31 1HG LYS 31 9.246 -1.578 8.539 730 2HG LYS 31 2HG LYS 31 10.385 -0.636 9.518 731 1HD LYS 31 1HD LYS 31 8.309 0.740 10.295 732 2HD LYS 31 2HD LYS 31 7.331 -0.481 9.469 733 1HE LYS 31 1HE LYS 31 7.415 -1.098 11.789 734 2HE LYS 31 2HE LYS 31 8.437 -2.252 10.916 735 1HZ LYS 31 1HZ LYS 31 10.343 -0.960 11.604 736 2HZ LYS 31 2HZ LYS 31 9.378 0.117 12.392 737 3HZ LYS 31 3HZ LYS 31 9.473 -1.443 12.916 738 H ILE 32 H ILE 32 8.973 0.766 4.765 739 HA ILE 32 HA ILE 32 7.516 -1.759 4.473 740 HB ILE 32 HB ILE 32 7.455 0.756 2.741 741 1HG1 ILE 32 1HG1 ILE 32 5.231 -0.268 4.545 742 2HG1 ILE 32 2HG1 ILE 32 6.440 0.826 5.177 743 1HG2 ILE 32 1HG2 ILE 32 6.839 -1.152 1.389 744 2HG2 ILE 32 2HG2 ILE 32 5.970 -1.898 2.735 745 3HG2 ILE 32 3HG2 ILE 32 5.292 -0.481 1.921 746 1HD1 ILE 32 1HD1 ILE 32 5.836 2.531 3.513 747 2HD1 ILE 32 2HD1 ILE 32 4.662 1.436 2.764 748 3HD1 ILE 32 3HD1 ILE 32 4.405 2.000 4.413 749 H LEU 33 H LEU 33 9.969 0.170 2.689 750 HA LEU 33 HA LEU 33 10.350 -1.757 0.559 751 1HB LEU 33 1HB LEU 33 11.831 -0.288 -0.246 752 2HB LEU 33 2HB LEU 33 10.942 0.759 0.857 753 HG LEU 33 HG LEU 33 12.765 0.513 2.504 754 1HD1 LEU 33 1HD1 LEU 33 13.980 -1.440 1.833 755 2HD1 LEU 33 2HD1 LEU 33 14.092 -0.825 0.165 756 3HD1 LEU 33 3HD1 LEU 33 14.981 -0.030 1.499 757 1HD2 LEU 33 1HD2 LEU 33 13.498 1.545 -0.269 758 2HD2 LEU 33 2HD2 LEU 33 12.416 2.416 0.843 759 3HD2 LEU 33 3HD2 LEU 33 14.121 2.174 1.266 760 H GLU 34 H GLU 34 11.794 -1.474 3.811 761 HA GLU 34 HA GLU 34 13.588 -3.633 3.509 762 1HB GLU 34 1HB GLU 34 13.315 -1.940 5.442 763 2HB GLU 34 2HB GLU 34 12.050 -2.972 6.062 764 1HG GLU 34 1HG GLU 34 14.895 -3.924 5.486 765 2HG GLU 34 2HG GLU 34 14.363 -3.303 7.053 766 H ASP 35 H ASP 35 10.274 -3.626 4.805 767 HA ASP 35 HA ASP 35 9.953 -6.378 5.200 768 1HB ASP 35 1HB ASP 35 8.348 -4.527 5.845 769 2HB ASP 35 2HB ASP 35 7.748 -4.528 4.180 770 H GLU 36 H GLU 36 9.099 -4.513 2.277 771 HA GLU 36 HA GLU 36 8.369 -6.607 0.582 772 1HB GLU 36 1HB GLU 36 9.811 -4.040 -0.125 773 2HB GLU 36 2HB GLU 36 8.967 -5.094 -1.264 774 1HG GLU 36 1HG GLU 36 7.422 -3.932 1.083 775 2HG GLU 36 2HG GLU 36 7.813 -2.915 -0.308 776 H GLU 37 H GLU 37 11.758 -5.181 1.050 777 HA GLU 37 HA GLU 37 13.119 -6.745 -0.701 778 1HB GLU 37 1HB GLU 37 13.730 -4.860 1.185 779 2HB GLU 37 2HB GLU 37 14.362 -6.265 2.006 780 1HG GLU 37 1HG GLU 37 14.960 -5.496 -0.903 781 2HG GLU 37 2HG GLU 37 15.814 -4.871 0.502 782 H LYS 38 H LYS 38 12.078 -7.667 2.598 783 HA LYS 38 HA LYS 38 13.366 -10.241 2.533 784 1HB LYS 38 1HB LYS 38 12.520 -9.003 4.570 785 2HB LYS 38 2HB LYS 38 10.879 -9.378 4.047 786 1HG LYS 38 1HG LYS 38 12.145 -11.888 3.943 787 2HG LYS 38 2HG LYS 38 12.901 -11.129 5.344 788 1HD LYS 38 1HD LYS 38 10.701 -10.756 6.369 789 2HD LYS 38 2HD LYS 38 9.877 -11.287 4.886 790 1HE LYS 38 1HE LYS 38 10.827 -13.551 5.113 791 2HE LYS 38 2HE LYS 38 11.694 -13.065 6.581 792 1HZ LYS 38 1HZ LYS 38 9.590 -12.657 7.618 793 2HZ LYS 38 2HZ LYS 38 8.775 -13.068 6.246 794 3HZ LYS 38 3HZ LYS 38 9.652 -14.206 7.056 795 H HIS 39 H HIS 39 10.009 -9.167 1.754 796 HA HIS 39 HA HIS 39 9.031 -11.767 1.040 797 1HB HIS 39 1HB HIS 39 8.173 -8.964 0.322 798 2HB HIS 39 2HB HIS 39 7.422 -10.371 -0.418 799 HD1 HIS 39 HD1 HIS 39 5.247 -10.952 0.793 800 HD2 HIS 39 HD2 HIS 39 8.252 -9.456 3.335 801 HE1 HIS 39 HE1 HIS 39 4.306 -11.043 3.170 802 HE2 HIS 39 HE2 HIS 39 6.091 -9.998 4.685 803 H ILE 40 H ILE 40 11.015 -9.461 -0.753 804 HA ILE 40 HA ILE 40 10.734 -10.877 -3.280 805 HB ILE 40 HB ILE 40 12.696 -8.740 -2.413 806 1HG1 ILE 40 1HG1 ILE 40 10.220 -8.421 -4.125 807 2HG1 ILE 40 2HG1 ILE 40 10.035 -8.297 -2.430 808 1HG2 ILE 40 1HG2 ILE 40 13.466 -9.964 -4.449 809 2HG2 ILE 40 2HG2 ILE 40 11.873 -9.754 -5.192 810 3HG2 ILE 40 3HG2 ILE 40 12.910 -8.352 -4.896 811 1HD1 ILE 40 1HD1 ILE 40 11.533 -6.447 -2.197 812 2HD1 ILE 40 2HD1 ILE 40 12.033 -6.524 -3.883 813 3HD1 ILE 40 3HD1 ILE 40 10.359 -6.090 -3.461 814 H GLU 41 H GLU 41 13.194 -10.686 -0.680 815 HA GLU 41 HA GLU 41 15.096 -12.456 -1.627 816 1HB GLU 41 1HB GLU 41 15.132 -11.052 0.475 817 2HB GLU 41 2HB GLU 41 14.132 -12.261 1.268 818 1HG GLU 41 1HG GLU 41 16.672 -13.180 -0.087 819 2HG GLU 41 2HG GLU 41 16.798 -12.239 1.401 820 H TRP 42 H TRP 42 11.926 -13.119 -0.171 821 HA TRP 42 HA TRP 42 11.875 -15.790 0.305 822 1HB TRP 42 1HB TRP 42 10.136 -13.806 0.374 823 2HB TRP 42 2HB TRP 42 9.615 -14.509 -1.163 824 HD1 TRP 42 HD1 TRP 42 9.181 -14.731 2.452 825 HE1 TRP 42 HE1 TRP 42 7.543 -16.625 3.032 826 HE3 TRP 42 HE3 TRP 42 9.232 -17.055 -2.007 827 HZ2 TRP 42 HZ2 TRP 42 6.734 -19.135 1.788 828 HZ3 TRP 42 HZ3 TRP 42 8.216 -19.361 -2.272 829 HH2 TRP 42 HH2 TRP 42 7.098 -20.457 -0.343 830 H LEU 43 H LEU 43 11.772 -14.101 -2.851 831 HA LEU 43 HA LEU 43 11.267 -16.521 -4.430 832 1HB LEU 43 1HB LEU 43 11.836 -13.613 -5.178 833 2HB LEU 43 2HB LEU 43 11.602 -14.918 -6.328 834 HG LEU 43 HG LEU 43 9.410 -15.236 -4.589 835 1HD1 LEU 43 1HD1 LEU 43 10.002 -13.025 -3.598 836 2HD1 LEU 43 2HD1 LEU 43 9.783 -12.255 -5.181 837 3HD1 LEU 43 3HD1 LEU 43 8.407 -13.030 -4.359 838 1HD2 LEU 43 1HD2 LEU 43 9.605 -13.633 -7.203 839 2HD2 LEU 43 2HD2 LEU 43 9.391 -15.393 -7.096 840 3HD2 LEU 43 3HD2 LEU 43 8.117 -14.311 -6.506 841 H GLU 44 H GLU 44 14.016 -14.390 -3.609 842 HA GLU 44 HA GLU 44 15.934 -15.972 -5.172 843 1HB GLU 44 1HB GLU 44 16.244 -13.807 -3.065 844 2HB GLU 44 2HB GLU 44 17.596 -14.513 -3.938 845 1HG GLU 44 1HG GLU 44 15.366 -13.364 -5.600 846 2HG GLU 44 2HG GLU 44 16.448 -12.254 -4.749 847 H THR 45 H THR 45 14.268 -17.426 -3.092 848 HA THR 45 HA THR 45 16.539 -18.881 -1.976 849 HB THR 45 HB THR 45 15.823 -16.949 -0.418 850 HG1 THR 45 HG1 THR 45 16.967 -18.051 0.918 851 1HG2 THR 45 1HG2 THR 45 13.484 -17.265 -0.258 852 2HG2 THR 45 2HG2 THR 45 13.686 -18.878 0.479 853 3HG2 THR 45 3HG2 THR 45 14.242 -17.414 1.316 854 H ILE 46 H ILE 46 13.016 -18.484 -1.880 855 HA ILE 46 HA ILE 46 11.333 -19.913 -2.314 856 HB ILE 46 HB ILE 46 12.134 -19.143 -4.443 857 1HG1 ILE 46 1HG1 ILE 46 11.082 -20.561 -5.967 858 2HG1 ILE 46 2HG1 ILE 46 11.245 -21.988 -4.948 859 1HG2 ILE 46 1HG2 ILE 46 14.378 -19.958 -4.660 860 2HG2 ILE 46 2HG2 ILE 46 13.837 -21.654 -4.604 861 3HG2 ILE 46 3HG2 ILE 46 13.444 -20.619 -5.987 862 1HD1 ILE 46 1HD1 ILE 46 9.650 -21.053 -3.337 863 2HD1 ILE 46 2HD1 ILE 46 9.628 -19.505 -4.228 864 3HD1 ILE 46 3HD1 ILE 46 8.952 -20.971 -4.966 865 H LEU 47 H LEU 47 12.925 -20.987 -0.367 866 HA LEU 47 HA LEU 47 14.091 -23.233 -0.184 867 1HB LEU 47 1HB LEU 47 13.335 -22.003 1.770 868 2HB LEU 47 2HB LEU 47 11.665 -22.512 1.500 869 HG LEU 47 HG LEU 47 12.293 -24.875 1.999 870 1HD1 LEU 47 1HD1 LEU 47 14.680 -24.855 1.368 871 2HD1 LEU 47 2HD1 LEU 47 15.025 -23.674 2.650 872 3HD1 LEU 47 3HD1 LEU 47 14.496 -25.318 3.062 873 1HD2 LEU 47 1HD2 LEU 47 13.071 -22.860 4.139 874 2HD2 LEU 47 2HD2 LEU 47 11.420 -23.390 3.750 875 3HD2 LEU 47 3HD2 LEU 47 12.588 -24.549 4.408 876 H GLY 48 H GLY 48 10.517 -23.411 -0.396 877 1HA GLY 48 1HA GLY 48 10.625 -25.928 -1.873 878 2HA GLY 48 2HA GLY 48 10.016 -26.093 -0.213 879 1HN NH2 49 1HN NH2 49 9.722 -23.836 -3.032 880 2HN NH2 49 2HN NH2 49 7.959 -23.604 -2.884 Start of MODEL 11 1 1H ACE 0 H1 ACE 0 11.926 8.610 -5.850 2 2H ACE 0 H2 ACE 0 11.110 9.027 -7.362 3 3H ACE 0 H3 ACE 0 10.624 7.576 -6.482 4 H ASP 1 H ASP 1 8.769 9.614 -4.025 5 HA ASP 1 HA ASP 1 9.148 6.911 -4.989 6 1HB ASP 1 1HB ASP 1 11.341 7.425 -3.897 7 2HB ASP 1 2HB ASP 1 10.535 7.772 -2.380 8 H TYR 2 H TYR 2 8.789 8.561 -1.927 9 HA TYR 2 HA TYR 2 7.059 7.539 -0.382 10 1HB TYR 2 1HB TYR 2 8.035 9.906 -0.531 11 2HB TYR 2 2HB TYR 2 6.505 10.379 -1.263 12 HD1 TYR 2 HD1 TYR 2 8.275 10.750 1.574 13 HD2 TYR 2 HD2 TYR 2 4.399 9.213 0.425 14 HE1 TYR 2 HE1 TYR 2 7.350 11.389 3.767 15 HE2 TYR 2 HE2 TYR 2 3.493 9.884 2.592 16 HH TYR 2 HH TYR 2 3.939 10.815 4.655 17 H LEU 3 H LEU 3 5.787 9.158 -3.306 18 HA LEU 3 HA LEU 3 3.498 7.350 -3.242 19 1HB LEU 3 1HB LEU 3 3.282 10.336 -3.875 20 2HB LEU 3 2HB LEU 3 1.953 9.183 -4.013 21 HG LEU 3 HG LEU 3 3.338 9.871 -1.394 22 1HD1 LEU 3 1HD1 LEU 3 2.245 11.847 -2.376 23 2HD1 LEU 3 2HD1 LEU 3 0.718 10.935 -2.491 24 3HD1 LEU 3 3HD1 LEU 3 1.450 11.269 -0.902 25 1HD2 LEU 3 1HD2 LEU 3 0.680 8.471 -1.967 26 2HD2 LEU 3 2HD2 LEU 3 2.141 7.657 -1.393 27 3HD2 LEU 3 3HD2 LEU 3 1.332 8.843 -0.364 28 H ARG 4 H ARG 4 5.741 9.308 -5.120 29 HA ARG 4 HA ARG 4 4.572 8.828 -7.636 30 1HB ARG 4 1HB ARG 4 7.547 8.976 -7.002 31 2HB ARG 4 2HB ARG 4 6.768 9.185 -8.572 32 1HG ARG 4 1HG ARG 4 5.324 11.010 -7.142 33 2HG ARG 4 2HG ARG 4 6.833 11.056 -6.211 34 1HD ARG 4 1HD ARG 4 6.530 11.448 -9.218 35 2HD ARG 4 2HD ARG 4 6.762 12.747 -8.026 36 HE ARG 4 HE ARG 4 8.910 11.145 -7.533 37 1HH1 ARG 4 1HH2 ARG 4 7.639 12.773 -10.396 38 2HH1 ARG 4 2HH2 ARG 4 9.188 12.955 -11.169 39 1HH2 ARG 4 1HH1 ARG 4 10.924 11.355 -8.505 40 2HH2 ARG 4 2HH1 ARG 4 11.123 12.125 -10.055 41 H GLU 5 H GLU 5 6.163 6.593 -5.478 42 HA GLU 5 HA GLU 5 6.006 4.477 -7.582 43 1HB GLU 5 1HB GLU 5 7.842 4.603 -5.166 44 2HB GLU 5 2HB GLU 5 7.649 3.249 -6.285 45 1HG GLU 5 1HG GLU 5 8.330 4.696 -8.194 46 2HG GLU 5 2HG GLU 5 8.598 6.045 -7.092 47 H LEU 6 H LEU 6 4.903 5.594 -4.420 48 HA LEU 6 HA LEU 6 3.604 2.988 -3.943 49 1HB LEU 6 1HB LEU 6 4.040 5.187 -2.025 50 2HB LEU 6 2HB LEU 6 3.098 3.730 -1.736 51 HG LEU 6 HG LEU 6 6.018 3.825 -2.344 52 1HD1 LEU 6 1HD1 LEU 6 5.455 4.506 -0.075 53 2HD1 LEU 6 2HD1 LEU 6 4.337 3.134 0.104 54 3HD1 LEU 6 3HD1 LEU 6 6.073 2.844 0.015 55 1HD2 LEU 6 1HD2 LEU 6 4.205 1.420 -1.968 56 2HD2 LEU 6 2HD2 LEU 6 5.249 1.761 -3.370 57 3HD2 LEU 6 3HD2 LEU 6 5.971 1.347 -1.833 58 H LEU 7 H LEU 7 2.588 4.867 -6.016 59 HA LEU 7 HA LEU 7 -0.120 4.854 -5.044 60 1HB LEU 7 1HB LEU 7 0.691 7.080 -4.309 61 2HB LEU 7 2HB LEU 7 0.971 7.555 -5.984 62 HG LEU 7 HG LEU 7 -1.763 6.595 -5.112 63 1HD1 LEU 7 1HD1 LEU 7 -1.104 8.288 -3.463 64 2HD1 LEU 7 2HD1 LEU 7 -0.663 9.417 -4.754 65 3HD1 LEU 7 3HD1 LEU 7 -2.357 8.925 -4.530 66 1HD2 LEU 7 1HD2 LEU 7 -0.849 8.672 -7.164 67 2HD2 LEU 7 2HD2 LEU 7 -1.478 7.052 -7.553 68 3HD2 LEU 7 3HD2 LEU 7 -2.530 8.249 -6.813 69 H LYS 8 H LYS 8 1.517 6.461 -7.835 70 HA LYS 8 HA LYS 8 -0.594 5.696 -9.505 71 1HB LYS 8 1HB LYS 8 2.240 6.567 -10.172 72 2HB LYS 8 2HB LYS 8 0.953 6.390 -11.384 73 1HG LYS 8 1HG LYS 8 -0.447 8.046 -10.251 74 2HG LYS 8 2HG LYS 8 0.683 8.134 -8.896 75 1HD LYS 8 1HD LYS 8 2.449 8.892 -10.653 76 2HD LYS 8 2HD LYS 8 1.045 9.213 -11.697 77 1HE LYS 8 1HE LYS 8 0.064 10.633 -9.842 78 2HE LYS 8 2HE LYS 8 1.509 10.310 -8.866 79 1HZ LYS 8 1HZ LYS 8 2.811 11.363 -10.586 80 2HZ LYS 8 2HZ LYS 8 1.438 11.743 -11.419 81 3HZ LYS 8 3HZ LYS 8 1.699 12.383 -9.923 82 H LEU 9 H LEU 9 2.606 4.315 -8.994 83 HA LEU 9 HA LEU 9 2.346 2.187 -10.895 84 1HB LEU 9 1HB LEU 9 4.168 2.338 -8.482 85 2HB LEU 9 2HB LEU 9 4.294 1.197 -9.819 86 HG LEU 9 HG LEU 9 4.687 4.213 -9.946 87 1HD1 LEU 9 1HD1 LEU 9 6.529 2.788 -8.984 88 2HD1 LEU 9 2HD1 LEU 9 6.595 1.899 -10.515 89 3HD1 LEU 9 3HD1 LEU 9 7.000 3.630 -10.472 90 1HD2 LEU 9 1HD2 LEU 9 4.699 2.165 -12.207 91 2HD2 LEU 9 2HD2 LEU 9 3.651 3.597 -12.062 92 3HD2 LEU 9 3HD2 LEU 9 5.383 3.800 -12.332 93 H GLU 10 H GLU 10 1.459 2.569 -7.486 94 HA GLU 10 HA GLU 10 0.763 -0.157 -6.960 95 1HB GLU 10 1HB GLU 10 -0.361 2.480 -5.896 96 2HB GLU 10 2HB GLU 10 -0.818 0.917 -5.348 97 1HG GLU 10 1HG GLU 10 2.032 1.940 -5.245 98 2HG GLU 10 2HG GLU 10 0.841 2.102 -3.921 99 H LEU 11 H LEU 11 -1.146 2.646 -8.133 100 HA LEU 11 HA LEU 11 -3.635 1.245 -8.034 101 1HB LEU 11 1HB LEU 11 -3.116 3.775 -8.135 102 2HB LEU 11 2HB LEU 11 -3.010 3.598 -9.888 103 HG LEU 11 HG LEU 11 -5.439 2.964 -8.132 104 1HD1 LEU 11 1HD1 LEU 11 -4.830 5.378 -8.209 105 2HD1 LEU 11 2HD1 LEU 11 -4.909 5.328 -9.983 106 3HD1 LEU 11 3HD1 LEU 11 -6.372 5.051 -9.010 107 1HD2 LEU 11 1HD2 LEU 11 -5.115 2.931 -11.157 108 2HD2 LEU 11 2HD2 LEU 11 -5.756 1.654 -10.088 109 3HD2 LEU 11 3HD2 LEU 11 -6.687 3.117 -10.352 110 H GLN 12 H GLN 12 -1.346 1.779 -10.771 111 HA GLN 12 HA GLN 12 -3.025 0.499 -12.686 112 1HB GLN 12 1HB GLN 12 -0.927 0.047 -13.977 113 2HB GLN 12 2HB GLN 12 -1.158 1.748 -13.541 114 1HG GLN 12 1HG GLN 12 0.502 1.715 -11.937 115 2HG GLN 12 2HG GLN 12 0.374 -0.027 -11.683 116 1HE2 GLN 12 2HE2 GLN 12 2.614 -0.278 -11.757 117 2HE2 GLN 12 1HE2 GLN 12 3.486 -0.190 -13.289 118 H LEU 13 H LEU 13 -1.330 -1.017 -9.977 119 HA LEU 13 HA LEU 13 -1.109 -3.590 -11.340 120 1HB LEU 13 1HB LEU 13 -0.863 -3.015 -8.366 121 2HB LEU 13 2HB LEU 13 -0.506 -4.486 -9.252 122 HG LEU 13 HG LEU 13 1.072 -1.995 -8.983 123 1HD1 LEU 13 1HD1 LEU 13 1.526 -4.208 -7.865 124 2HD1 LEU 13 2HD1 LEU 13 1.929 -4.881 -9.445 125 3HD1 LEU 13 3HD1 LEU 13 2.896 -3.544 -8.785 126 1HD2 LEU 13 1HD2 LEU 13 1.344 -3.806 -11.456 127 2HD2 LEU 13 2HD2 LEU 13 0.801 -2.134 -11.534 128 3HD2 LEU 13 3HD2 LEU 13 2.437 -2.472 -10.998 129 H ILE 14 H ILE 14 -3.192 -2.148 -8.769 130 HA ILE 14 HA ILE 14 -5.088 -4.349 -8.642 131 HB ILE 14 HB ILE 14 -5.179 -1.316 -8.115 132 1HG1 ILE 14 1HG1 ILE 14 -5.845 -2.087 -5.867 133 2HG1 ILE 14 2HG1 ILE 14 -5.721 -3.777 -6.370 134 1HG2 ILE 14 1HG2 ILE 14 -7.419 -1.792 -9.084 135 2HG2 ILE 14 2HG2 ILE 14 -7.588 -3.203 -8.017 136 3HG2 ILE 14 3HG2 ILE 14 -7.535 -1.555 -7.360 137 1HD1 ILE 14 1HD1 ILE 14 -3.285 -3.510 -6.655 138 2HD1 ILE 14 2HD1 ILE 14 -3.431 -1.758 -6.338 139 3HD1 ILE 14 3HD1 ILE 14 -3.784 -2.934 -5.061 140 H LYS 15 H LYS 15 -5.195 -1.303 -10.493 141 HA LYS 15 HA LYS 15 -7.274 -2.054 -12.162 142 1HB LYS 15 1HB LYS 15 -5.606 0.102 -12.084 143 2HB LYS 15 2HB LYS 15 -4.946 -0.703 -13.490 144 1HG LYS 15 1HG LYS 15 -6.582 0.832 -14.311 145 2HG LYS 15 2HG LYS 15 -7.422 -0.730 -14.361 146 1HD LYS 15 1HD LYS 15 -8.444 -0.190 -12.103 147 2HD LYS 15 2HD LYS 15 -7.575 1.350 -12.107 148 1HE LYS 15 1HE LYS 15 -8.823 2.063 -14.127 149 2HE LYS 15 2HE LYS 15 -9.683 0.509 -14.148 150 1HZ LYS 15 1HZ LYS 15 -10.573 1.049 -11.997 151 2HZ LYS 15 2HZ LYS 15 -9.774 2.487 -11.978 152 3HZ LYS 15 3HZ LYS 15 -10.960 2.221 -13.089 153 H GLN 16 H GLN 16 -3.869 -2.988 -12.786 154 HA GLN 16 HA GLN 16 -4.531 -4.414 -15.239 155 1HB GLN 16 1HB GLN 16 -2.074 -4.239 -13.474 156 2HB GLN 16 2HB GLN 16 -2.225 -5.637 -14.503 157 1HG GLN 16 1HG GLN 16 -2.429 -2.803 -15.559 158 2HG GLN 16 2HG GLN 16 -0.964 -3.806 -15.603 159 1HE2 GLN 16 2HE2 GLN 16 -2.370 -2.769 -17.993 160 2HE2 GLN 16 1HE2 GLN 16 -2.971 -4.202 -18.830 161 H TYR 17 H TYR 17 -4.518 -5.222 -11.830 162 HA TYR 17 HA TYR 17 -4.403 -8.089 -12.207 163 1HB TYR 17 1HB TYR 17 -5.193 -6.184 -9.979 164 2HB TYR 17 2HB TYR 17 -5.698 -7.816 -9.866 165 HD1 TYR 17 HD1 TYR 17 -3.742 -6.045 -8.123 166 HD2 TYR 17 HD2 TYR 17 -3.557 -9.507 -10.661 167 HE1 TYR 17 HE1 TYR 17 -2.130 -7.092 -6.593 168 HE2 TYR 17 HE2 TYR 17 -1.763 -10.450 -9.244 169 HH TYR 17 HH TYR 17 -0.433 -10.121 -7.389 170 H ARG 18 H ARG 18 -6.889 -5.672 -12.483 171 HA ARG 18 HA ARG 18 -9.139 -7.554 -12.406 172 1HB ARG 18 1HB ARG 18 -8.945 -4.631 -13.244 173 2HB ARG 18 2HB ARG 18 -10.441 -5.572 -13.229 174 1HG ARG 18 1HG ARG 18 -10.252 -5.962 -10.824 175 2HG ARG 18 2HG ARG 18 -8.679 -5.148 -10.774 176 1HD ARG 18 1HD ARG 18 -9.720 -3.040 -11.506 177 2HD ARG 18 2HD ARG 18 -11.320 -3.831 -11.527 178 HE ARG 18 HE ARG 18 -10.185 -4.280 -8.988 179 1HH1 ARG 18 1HH2 ARG 18 -11.326 -1.554 -10.897 180 2HH1 ARG 18 2HH2 ARG 18 -11.700 -0.550 -9.516 181 1HH2 ARG 18 1HH1 ARG 18 -10.692 -3.026 -7.178 182 2HH2 ARG 18 2HH1 ARG 18 -11.285 -1.404 -7.322 183 H GLU 19 H GLU 19 -7.177 -5.883 -14.774 184 HA GLU 19 HA GLU 19 -8.501 -6.735 -17.137 185 1HB GLU 19 1HB GLU 19 -6.736 -4.946 -16.932 186 2HB GLU 19 2HB GLU 19 -5.527 -6.234 -16.815 187 1HG GLU 19 1HG GLU 19 -6.033 -7.031 -19.025 188 2HG GLU 19 2HG GLU 19 -7.441 -5.957 -19.148 189 H ALA 20 H ALA 20 -5.869 -8.249 -15.163 190 HA ALA 20 HA ALA 20 -5.712 -10.473 -17.113 191 1HB ALA 20 1HB ALA 20 -3.689 -9.846 -16.166 192 2HB ALA 20 2HB ALA 20 -4.367 -9.804 -14.531 193 3HB ALA 20 3HB ALA 20 -4.090 -11.372 -15.350 194 H LEU 21 H LEU 21 -7.481 -9.965 -14.100 195 HA LEU 21 HA LEU 21 -7.801 -12.346 -12.971 196 1HB LEU 21 1HB LEU 21 -8.962 -10.407 -12.194 197 2HB LEU 21 2HB LEU 21 -9.928 -10.301 -13.670 198 HG LEU 21 HG LEU 21 -11.211 -12.268 -13.094 199 1HD1 LEU 21 1HD1 LEU 21 -9.434 -13.607 -11.915 200 2HD1 LEU 21 2HD1 LEU 21 -9.483 -12.431 -10.598 201 3HD1 LEU 21 3HD1 LEU 21 -10.896 -13.457 -10.961 202 1HD2 LEU 21 1HD2 LEU 21 -10.934 -10.391 -10.710 203 2HD2 LEU 21 2HD2 LEU 21 -11.861 -10.052 -12.184 204 3HD2 LEU 21 3HD2 LEU 21 -12.354 -11.380 -11.121 205 H GLU 22 H GLU 22 -9.719 -11.454 -15.821 206 HA GLU 22 HA GLU 22 -11.073 -14.057 -15.907 207 1HB GLU 22 1HB GLU 22 -12.268 -13.149 -17.829 208 2HB GLU 22 2HB GLU 22 -12.372 -12.073 -16.427 209 1HG GLU 22 1HG GLU 22 -10.613 -10.624 -17.387 210 2HG GLU 22 2HG GLU 22 -10.460 -11.734 -18.765 211 H TYR 23 H TYR 23 -8.247 -12.660 -17.451 212 HA TYR 23 HA TYR 23 -8.091 -14.698 -19.527 213 1HB TYR 23 1HB TYR 23 -6.268 -12.581 -18.353 214 2HB TYR 23 2HB TYR 23 -5.591 -13.892 -19.267 215 HD1 TYR 23 HD1 TYR 23 -8.094 -11.110 -19.434 216 HD2 TYR 23 HD2 TYR 23 -5.713 -13.932 -21.666 217 HE1 TYR 23 HE1 TYR 23 -8.860 -10.088 -21.545 218 HE2 TYR 23 HE2 TYR 23 -6.438 -12.862 -23.782 219 HH TYR 23 HH TYR 23 -8.739 -10.134 -23.838 220 H VAL 24 H VAL 24 -7.082 -14.255 -16.145 221 HA VAL 24 HA VAL 24 -5.668 -16.832 -16.129 222 HB VAL 24 HB VAL 24 -6.350 -14.976 -13.828 223 1HG1 VAL 24 1HG1 VAL 24 -5.793 -17.200 -12.979 224 2HG1 VAL 24 2HG1 VAL 24 -4.452 -17.360 -14.126 225 3HG1 VAL 24 3HG1 VAL 24 -4.343 -16.211 -12.792 226 1HG2 VAL 24 1HG2 VAL 24 -3.823 -15.282 -15.508 227 2HG2 VAL 24 2HG2 VAL 24 -4.890 -13.881 -15.559 228 3HG2 VAL 24 3HG2 VAL 24 -3.994 -14.228 -14.086 229 H LYS 25 H LYS 25 -8.900 -15.716 -15.370 230 HA LYS 25 HA LYS 25 -10.831 -16.812 -15.006 231 1HB LYS 25 1HB LYS 25 -9.376 -19.398 -15.689 232 2HB LYS 25 2HB LYS 25 -11.117 -19.113 -15.685 233 1HG LYS 25 1HG LYS 25 -10.885 -17.486 -17.535 234 2HG LYS 25 2HG LYS 25 -9.131 -17.683 -17.510 235 1HD LYS 25 1HD LYS 25 -9.887 -18.964 -19.312 236 2HD LYS 25 2HD LYS 25 -9.407 -20.111 -18.053 237 1HE LYS 25 1HE LYS 25 -11.795 -20.447 -17.438 238 2HE LYS 25 2HE LYS 25 -12.282 -19.198 -18.603 239 1HZ LYS 25 1HZ LYS 25 -11.404 -20.577 -20.343 240 2HZ LYS 25 2HZ LYS 25 -10.976 -21.742 -19.259 241 3HZ LYS 25 3HZ LYS 25 -12.567 -21.374 -19.489 242 H LEU 26 H LEU 26 -8.951 -16.346 -12.808 243 HA LEU 26 HA LEU 26 -9.605 -18.623 -10.974 244 1HB LEU 26 1HB LEU 26 -7.254 -18.490 -11.538 245 2HB LEU 26 2HB LEU 26 -7.218 -16.797 -11.054 246 HG LEU 26 HG LEU 26 -7.972 -17.622 -8.714 247 1HD1 LEU 26 1HD1 LEU 26 -8.673 -19.913 -9.324 248 2HD1 LEU 26 2HD1 LEU 26 -7.021 -20.274 -9.866 249 3HD1 LEU 26 3HD1 LEU 26 -7.345 -19.949 -8.155 250 1HD2 LEU 26 1HD2 LEU 26 -5.227 -18.461 -9.692 251 2HD2 LEU 26 2HD2 LEU 26 -5.689 -16.810 -9.227 252 3HD2 LEU 26 3HD2 LEU 26 -5.719 -18.095 -8.021 253 HA PRO 27 HA PRO 27 -11.808 -15.063 -9.084 254 1HB PRO 27 1HB PRO 27 -13.260 -16.407 -7.193 255 2HB PRO 27 2HB PRO 27 -13.722 -16.313 -8.916 256 1HG PRO 27 1HG PRO 27 -12.239 -18.553 -7.523 257 2HG PRO 27 2HG PRO 27 -13.638 -18.688 -8.626 258 1HD PRO 27 1HD PRO 27 -11.098 -19.071 -9.480 259 2HD PRO 27 2HD PRO 27 -12.277 -18.243 -10.537 260 H VAL 28 H VAL 28 -9.843 -17.602 -7.473 261 HA VAL 28 HA VAL 28 -9.356 -16.135 -5.082 262 HB VAL 28 HB VAL 28 -7.727 -18.170 -6.532 263 1HG1 VAL 28 1HG1 VAL 28 -6.052 -16.784 -5.447 264 2HG1 VAL 28 2HG1 VAL 28 -7.016 -16.711 -3.955 265 3HG1 VAL 28 3HG1 VAL 28 -6.274 -18.236 -4.476 266 1HG2 VAL 28 1HG2 VAL 28 -9.143 -18.167 -3.834 267 2HG2 VAL 28 2HG2 VAL 28 -9.780 -18.908 -5.320 268 3HG2 VAL 28 3HG2 VAL 28 -8.300 -19.541 -4.575 269 H LEU 29 H LEU 29 -8.047 -15.634 -8.414 270 HA LEU 29 HA LEU 29 -6.000 -13.819 -7.558 271 1HB LEU 29 1HB LEU 29 -6.762 -14.910 -10.012 272 2HB LEU 29 2HB LEU 29 -7.319 -13.249 -10.173 273 HG LEU 29 HG LEU 29 -4.570 -14.212 -9.410 274 1HD1 LEU 29 1HD1 LEU 29 -5.303 -14.483 -11.798 275 2HD1 LEU 29 2HD1 LEU 29 -5.490 -12.725 -11.922 276 3HD1 LEU 29 3HD1 LEU 29 -3.885 -13.433 -11.627 277 1HD2 LEU 29 1HD2 LEU 29 -5.555 -11.336 -9.842 278 2HD2 LEU 29 2HD2 LEU 29 -4.898 -11.998 -8.331 279 3HD2 LEU 29 3HD2 LEU 29 -3.849 -11.810 -9.731 280 H ALA 30 H ALA 30 -9.448 -13.625 -8.519 281 HA ALA 30 HA ALA 30 -9.506 -10.931 -8.474 282 1HB ALA 30 1HB ALA 30 -11.490 -12.346 -9.173 283 2HB ALA 30 2HB ALA 30 -11.899 -12.566 -7.467 284 3HB ALA 30 3HB ALA 30 -11.935 -10.952 -8.181 285 H LYS 31 H LYS 31 -9.790 -13.307 -5.854 286 HA LYS 31 HA LYS 31 -10.472 -11.441 -3.749 287 1HB LYS 31 1HB LYS 31 -10.957 -13.858 -3.563 288 2HB LYS 31 2HB LYS 31 -9.211 -14.190 -3.470 289 1HG LYS 31 1HG LYS 31 -9.039 -12.817 -1.419 290 2HG LYS 31 2HG LYS 31 -10.756 -12.401 -1.528 291 1HD LYS 31 1HD LYS 31 -11.388 -14.743 -1.184 292 2HD LYS 31 2HD LYS 31 -9.682 -15.246 -1.250 293 1HE LYS 31 1HE LYS 31 -9.186 -13.882 0.768 294 2HE LYS 31 2HE LYS 31 -10.878 -13.360 0.844 295 1HZ LYS 31 1HZ LYS 31 -11.502 -15.635 1.183 296 2HZ LYS 31 2HZ LYS 31 -9.933 -16.133 1.077 297 3HZ LYS 31 3HZ LYS 31 -10.409 -15.169 2.324 298 H ILE 32 H ILE 32 -7.414 -12.735 -5.024 299 HA ILE 32 HA ILE 32 -5.776 -11.615 -2.917 300 HB ILE 32 HB ILE 32 -5.208 -12.332 -5.815 301 1HG1 ILE 32 1HG1 ILE 32 -4.287 -13.665 -3.217 302 2HG1 ILE 32 2HG1 ILE 32 -5.741 -14.145 -4.065 303 1HG2 ILE 32 1HG2 ILE 32 -2.834 -12.077 -5.415 304 2HG2 ILE 32 2HG2 ILE 32 -3.594 -10.537 -5.039 305 3HG2 ILE 32 3HG2 ILE 32 -3.113 -11.628 -3.734 306 1HD1 ILE 32 1HD1 ILE 32 -4.342 -14.617 -6.112 307 2HD1 ILE 32 2HD1 ILE 32 -2.897 -14.300 -5.123 308 3HD1 ILE 32 3HD1 ILE 32 -3.992 -15.626 -4.696 309 H LEU 33 H LEU 33 -7.001 -10.378 -6.067 310 HA LEU 33 HA LEU 33 -5.449 -8.008 -5.868 311 1HB LEU 33 1HB LEU 33 -6.319 -7.475 -7.880 312 2HB LEU 33 2HB LEU 33 -6.406 -9.257 -7.879 313 HG LEU 33 HG LEU 33 -8.749 -9.146 -7.604 314 1HD1 LEU 33 1HD1 LEU 33 -9.450 -7.215 -6.551 315 2HD1 LEU 33 2HD1 LEU 33 -8.240 -6.202 -7.408 316 3HD1 LEU 33 3HD1 LEU 33 -9.721 -6.776 -8.235 317 1HD2 LEU 33 1HD2 LEU 33 -7.761 -7.315 -9.793 318 2HD2 LEU 33 2HD2 LEU 33 -7.520 -9.088 -9.808 319 3HD2 LEU 33 3HD2 LEU 33 -9.157 -8.405 -9.883 320 H GLU 34 H GLU 34 -8.622 -8.896 -4.651 321 HA GLU 34 HA GLU 34 -9.596 -6.309 -4.152 322 1HB GLU 34 1HB GLU 34 -10.798 -8.576 -4.075 323 2HB GLU 34 2HB GLU 34 -10.165 -8.783 -2.457 324 1HG GLU 34 1HG GLU 34 -11.849 -6.385 -3.334 325 2HG GLU 34 2HG GLU 34 -12.522 -7.846 -2.599 326 H ASP 35 H ASP 35 -7.858 -8.605 -2.091 327 HA ASP 35 HA ASP 35 -7.758 -7.081 0.273 328 1HB ASP 35 1HB ASP 35 -6.992 -9.473 -0.023 329 2HB ASP 35 2HB ASP 35 -5.482 -8.851 -0.718 330 H GLU 36 H GLU 36 -5.386 -7.148 -2.419 331 HA GLU 36 HA GLU 36 -3.596 -5.212 -1.495 332 1HB GLU 36 1HB GLU 36 -4.480 -5.657 -4.361 333 2HB GLU 36 2HB GLU 36 -3.026 -4.831 -3.815 334 1HG GLU 36 1HG GLU 36 -3.161 -7.494 -2.581 335 2HG GLU 36 2HG GLU 36 -3.391 -7.635 -4.323 336 H GLU 37 H GLU 37 -6.733 -4.706 -3.157 337 HA GLU 37 HA GLU 37 -6.471 -2.061 -3.762 338 1HB GLU 37 1HB GLU 37 -8.308 -4.076 -4.119 339 2HB GLU 37 2HB GLU 37 -9.167 -3.261 -2.840 340 1HG GLU 37 1HG GLU 37 -8.051 -1.729 -5.201 341 2HG GLU 37 2HG GLU 37 -9.430 -2.797 -5.441 342 H LYS 38 H LYS 38 -7.432 -3.453 -0.622 343 HA LYS 38 HA LYS 38 -8.037 -0.920 0.604 344 1HB LYS 38 1HB LYS 38 -8.660 -3.185 1.498 345 2HB LYS 38 2HB LYS 38 -6.949 -3.464 1.860 346 1HG LYS 38 1HG LYS 38 -7.048 -1.261 3.249 347 2HG LYS 38 2HG LYS 38 -8.802 -1.339 3.056 348 1HD LYS 38 1HD LYS 38 -8.848 -3.493 4.245 349 2HD LYS 38 2HD LYS 38 -7.071 -3.567 4.240 350 1HE LYS 38 1HE LYS 38 -6.972 -1.474 5.602 351 2HE LYS 38 2HE LYS 38 -8.744 -1.433 5.662 352 1HZ LYS 38 1HZ LYS 38 -8.678 -3.533 6.802 353 2HZ LYS 38 2HZ LYS 38 -7.031 -3.575 6.719 354 3HZ LYS 38 3HZ LYS 38 -7.781 -2.411 7.612 355 H HIS 39 H HIS 39 -5.018 -2.878 0.490 356 HA HIS 39 HA HIS 39 -3.488 -1.183 2.201 357 1HB HIS 39 1HB HIS 39 -2.670 -3.009 -0.091 358 2HB HIS 39 2HB HIS 39 -1.534 -2.213 0.979 359 HD1 HIS 39 HD1 HIS 39 -2.002 -2.926 3.746 360 HD2 HIS 39 HD2 HIS 39 -3.576 -5.330 0.676 361 HE1 HIS 39 HE1 HIS 39 -2.507 -5.233 4.783 362 HE2 HIS 39 HE2 HIS 39 -3.437 -6.684 2.859 363 H ILE 40 H ILE 40 -4.030 -1.141 -1.309 364 HA ILE 40 HA ILE 40 -2.237 1.122 -1.705 365 HB ILE 40 HB ILE 40 -4.124 -0.466 -3.495 366 1HG1 ILE 40 1HG1 ILE 40 -1.876 -0.777 -4.675 367 2HG1 ILE 40 2HG1 ILE 40 -1.113 0.131 -3.350 368 1HG2 ILE 40 1HG2 ILE 40 -4.291 1.854 -4.299 369 2HG2 ILE 40 2HG2 ILE 40 -2.526 2.051 -4.205 370 3HG2 ILE 40 3HG2 ILE 40 -3.247 0.936 -5.383 371 1HD1 ILE 40 1HD1 ILE 40 -1.599 -1.707 -1.811 372 2HD1 ILE 40 2HD1 ILE 40 -2.512 -2.546 -3.099 373 3HD1 ILE 40 3HD1 ILE 40 -0.779 -2.307 -3.247 374 H GLU 41 H GLU 41 -5.732 0.704 -1.149 375 HA GLU 41 HA GLU 41 -6.576 3.330 -1.625 376 1HB GLU 41 1HB GLU 41 -8.023 1.305 -0.897 377 2HB GLU 41 2HB GLU 41 -7.486 1.674 0.754 378 1HG GLU 41 1HG GLU 41 -8.315 4.097 0.188 379 2HG GLU 41 2HG GLU 41 -9.201 3.293 -1.114 380 H TRP 42 H TRP 42 -4.931 1.864 1.263 381 HA TRP 42 HA TRP 42 -5.022 3.972 3.013 382 1HB TRP 42 1HB TRP 42 -3.950 1.584 3.125 383 2HB TRP 42 2HB TRP 42 -2.492 2.379 2.551 384 HD1 TRP 42 HD1 TRP 42 -4.749 2.193 5.556 385 HE1 TRP 42 HE1 TRP 42 -3.594 3.299 7.594 386 HE3 TRP 42 HE3 TRP 42 -0.814 4.188 3.149 387 HZ2 TRP 42 HZ2 TRP 42 -1.208 4.931 8.060 388 HZ3 TRP 42 HZ3 TRP 42 0.926 5.550 4.367 389 HH2 TRP 42 HH2 TRP 42 0.685 5.955 6.808 390 H LEU 43 H LEU 43 -2.990 3.580 0.153 391 HA LEU 43 HA LEU 43 -1.377 5.954 0.863 392 1HB LEU 43 1HB LEU 43 -1.226 3.887 -1.391 393 2HB LEU 43 2HB LEU 43 -0.136 5.265 -1.287 394 HG LEU 43 HG LEU 43 -0.310 3.367 1.063 395 1HD1 LEU 43 1HD1 LEU 43 -0.009 1.813 -0.670 396 2HD1 LEU 43 2HD1 LEU 43 1.022 2.896 -1.613 397 3HD1 LEU 43 3HD1 LEU 43 1.635 2.181 -0.121 398 1HD2 LEU 43 1HD2 LEU 43 1.921 5.073 -0.159 399 2HD2 LEU 43 2HD2 LEU 43 0.971 5.497 1.276 400 3HD2 LEU 43 3HD2 LEU 43 2.053 4.094 1.315 401 H GLU 44 H GLU 44 -4.141 5.223 -1.055 402 HA GLU 44 HA GLU 44 -3.772 7.647 -2.740 403 1HB GLU 44 1HB GLU 44 -6.051 5.649 -2.512 404 2HB GLU 44 2HB GLU 44 -6.035 7.076 -3.567 405 1HG GLU 44 1HG GLU 44 -4.023 6.236 -4.717 406 2HG GLU 44 2HG GLU 44 -3.960 4.826 -3.649 407 H THR 45 H THR 45 -5.987 6.412 -0.525 408 HA THR 45 HA THR 45 -7.708 8.579 -0.148 409 HB THR 45 HB THR 45 -7.816 6.202 0.796 410 HG1 THR 45 HG1 THR 45 -8.818 8.410 2.252 411 1HG2 THR 45 1HG2 THR 45 -5.916 6.258 2.379 412 2HG2 THR 45 2HG2 THR 45 -6.802 7.436 3.374 413 3HG2 THR 45 3HG2 THR 45 -7.451 5.813 3.123 414 H ILE 46 H ILE 46 -4.857 7.873 1.600 415 HA ILE 46 HA ILE 46 -4.601 9.598 3.661 416 HB ILE 46 HB ILE 46 -3.055 7.891 3.067 417 1HG1 ILE 46 1HG1 ILE 46 -1.093 10.090 2.934 418 2HG1 ILE 46 2HG1 ILE 46 -2.258 10.173 4.276 419 1HG2 ILE 46 1HG2 ILE 46 -3.132 7.902 0.783 420 2HG2 ILE 46 2HG2 ILE 46 -2.324 9.448 0.597 421 3HG2 ILE 46 3HG2 ILE 46 -1.443 8.061 1.254 422 1HD1 ILE 46 1HD1 ILE 46 -1.793 7.872 4.931 423 2HD1 ILE 46 2HD1 ILE 46 -0.676 7.673 3.568 424 3HD1 ILE 46 3HD1 ILE 46 -0.281 8.799 4.895 425 H LEU 47 H LEU 47 -4.048 10.588 0.237 426 HA LEU 47 HA LEU 47 -3.285 13.321 1.086 427 1HB LEU 47 1HB LEU 47 -3.261 11.769 -1.438 428 2HB LEU 47 2HB LEU 47 -3.880 13.400 -1.637 429 HG LEU 47 HG LEU 47 -1.465 13.204 -2.051 430 1HD1 LEU 47 1HD1 LEU 47 -2.489 15.366 -1.408 431 2HD1 LEU 47 2HD1 LEU 47 -2.092 15.051 0.292 432 3HD1 LEU 47 3HD1 LEU 47 -0.798 15.226 -0.903 433 1HD2 LEU 47 1HD2 LEU 47 -1.152 12.735 0.952 434 2HD2 LEU 47 2HD2 LEU 47 -0.886 11.533 -0.325 435 3HD2 LEU 47 3HD2 LEU 47 0.129 12.992 -0.233 436 H GLY 48 H GLY 48 -4.896 14.117 2.186 437 1HA GLY 48 1HA GLY 48 -7.447 13.702 2.462 438 2HA GLY 48 2HA GLY 48 -6.816 15.351 2.515 439 1HN NH2 49 1HN NH2 49 -8.389 12.918 0.406 440 2HN NH2 49 2HN NH2 49 -9.149 14.110 -0.683 441 1H ACE 0 H1 ACE 0 2.963 -16.460 -23.194 442 2H ACE 0 H2 ACE 0 2.953 -16.535 -21.418 443 3H ACE 0 H3 ACE 0 1.417 -16.461 -22.317 444 H ASP 1 H ASP 1 1.155 -14.614 -20.721 445 HA ASP 1 HA ASP 1 2.616 -12.125 -21.341 446 1HB ASP 1 1HB ASP 1 0.744 -12.133 -22.919 447 2HB ASP 1 2HB ASP 1 -0.416 -12.428 -21.622 448 H TYR 2 H TYR 2 -0.300 -13.271 -19.662 449 HA TYR 2 HA TYR 2 -0.580 -12.017 -17.348 450 1HB TYR 2 1HB TYR 2 -1.894 -13.924 -17.792 451 2HB TYR 2 2HB TYR 2 -0.488 -14.961 -18.008 452 HD1 TYR 2 HD1 TYR 2 -1.023 -12.763 -15.010 453 HD2 TYR 2 HD2 TYR 2 -1.227 -16.752 -16.645 454 HE1 TYR 2 HE1 TYR 2 -1.235 -13.688 -12.736 455 HE2 TYR 2 HE2 TYR 2 -1.526 -17.661 -14.367 456 HH TYR 2 HH TYR 2 -1.444 -15.602 -11.454 457 H LEU 3 H LEU 3 1.752 -14.741 -17.359 458 HA LEU 3 HA LEU 3 2.628 -14.030 -14.748 459 1HB LEU 3 1HB LEU 3 3.928 -15.837 -16.837 460 2HB LEU 3 2HB LEU 3 4.401 -15.789 -15.137 461 HG LEU 3 HG LEU 3 1.600 -16.559 -16.079 462 1HD1 LEU 3 1HD1 LEU 3 3.268 -18.170 -16.903 463 2HD1 LEU 3 2HD1 LEU 3 3.946 -18.323 -15.266 464 3HD1 LEU 3 3HD1 LEU 3 2.292 -18.877 -15.603 465 1HD2 LEU 3 1HD2 LEU 3 3.017 -16.828 -13.383 466 2HD2 LEU 3 2HD2 LEU 3 1.642 -15.761 -13.736 467 3HD2 LEU 3 3HD2 LEU 3 1.429 -17.513 -13.777 468 H ARG 4 H ARG 4 3.602 -12.530 -17.671 469 HA ARG 4 HA ARG 4 6.285 -11.799 -16.766 470 1HB ARG 4 1HB ARG 4 4.488 -10.302 -18.703 471 2HB ARG 4 2HB ARG 4 6.239 -10.172 -18.508 472 1HG ARG 4 1HG ARG 4 6.396 -12.618 -19.282 473 2HG ARG 4 2HG ARG 4 4.669 -12.509 -19.665 474 1HD ARG 4 1HD ARG 4 5.410 -10.286 -20.936 475 2HD ARG 4 2HD ARG 4 7.004 -11.079 -20.932 476 HE ARG 4 HE ARG 4 4.874 -12.823 -21.870 477 1HH1 ARG 4 1HH2 ARG 4 6.927 -10.136 -22.860 478 2HH1 ARG 4 2HH2 ARG 4 6.596 -10.325 -24.562 479 1HH2 ARG 4 1HH1 ARG 4 4.354 -13.035 -24.011 480 2HH2 ARG 4 2HH1 ARG 4 5.100 -12.057 -25.255 481 H GLU 5 H GLU 5 2.968 -10.848 -16.137 482 HA GLU 5 HA GLU 5 3.822 -8.431 -14.627 483 1HB GLU 5 1HB GLU 5 1.457 -7.578 -15.275 484 2HB GLU 5 2HB GLU 5 2.760 -7.488 -16.455 485 1HG GLU 5 1HG GLU 5 1.918 -9.438 -17.655 486 2HG GLU 5 2HG GLU 5 0.665 -9.681 -16.427 487 H LEU 6 H LEU 6 1.557 -7.944 -13.282 488 HA LEU 6 HA LEU 6 0.386 -8.468 -11.424 489 1HB LEU 6 1HB LEU 6 0.191 -11.186 -12.795 490 2HB LEU 6 2HB LEU 6 -0.509 -10.823 -11.237 491 HG LEU 6 HG LEU 6 -1.893 -8.956 -12.309 492 1HD1 LEU 6 1HD1 LEU 6 -0.533 -8.608 -14.344 493 2HD1 LEU 6 2HD1 LEU 6 -0.921 -10.260 -14.876 494 3HD1 LEU 6 3HD1 LEU 6 -2.187 -9.020 -14.711 495 1HD2 LEU 6 1HD2 LEU 6 -2.444 -11.642 -13.563 496 2HD2 LEU 6 2HD2 LEU 6 -2.475 -11.481 -11.804 497 3HD2 LEU 6 3HD2 LEU 6 -3.552 -10.508 -12.764 498 H LEU 7 H LEU 7 3.461 -9.494 -11.818 499 HA LEU 7 HA LEU 7 3.694 -10.508 -9.120 500 1HB LEU 7 1HB LEU 7 3.343 -12.483 -10.548 501 2HB LEU 7 2HB LEU 7 4.604 -11.953 -11.663 502 HG LEU 7 HG LEU 7 6.336 -12.322 -9.977 503 1HD1 LEU 7 1HD1 LEU 7 3.963 -12.506 -8.144 504 2HD1 LEU 7 2HD1 LEU 7 5.326 -13.547 -7.790 505 3HD1 LEU 7 3HD1 LEU 7 5.558 -11.792 -7.866 506 1HD2 LEU 7 1HD2 LEU 7 5.555 -14.239 -11.341 507 2HD2 LEU 7 2HD2 LEU 7 6.170 -14.737 -9.758 508 3HD2 LEU 7 3HD2 LEU 7 4.421 -14.687 -10.050 509 H LYS 8 H LYS 8 5.701 -10.011 -12.068 510 HA LYS 8 HA LYS 8 7.988 -9.189 -10.714 511 1HB LYS 8 1HB LYS 8 7.969 -9.789 -13.096 512 2HB LYS 8 2HB LYS 8 6.916 -8.411 -13.458 513 1HG LYS 8 1HG LYS 8 8.718 -6.861 -12.687 514 2HG LYS 8 2HG LYS 8 9.784 -8.246 -12.419 515 1HD LYS 8 1HD LYS 8 9.780 -8.772 -14.792 516 2HD LYS 8 2HD LYS 8 8.443 -7.647 -15.100 517 1HE LYS 8 1HE LYS 8 9.876 -5.731 -14.395 518 2HE LYS 8 2HE LYS 8 11.229 -6.839 -14.125 519 1HZ LYS 8 1HZ LYS 8 11.165 -7.384 -16.444 520 2HZ LYS 8 2HZ LYS 8 9.865 -6.400 -16.692 521 3HZ LYS 8 3HZ LYS 8 11.316 -5.754 -16.256 522 H LEU 9 H LEU 9 5.282 -7.404 -12.067 523 HA LEU 9 HA LEU 9 5.990 -4.755 -11.371 524 1HB LEU 9 1HB LEU 9 3.205 -5.965 -11.535 525 2HB LEU 9 2HB LEU 9 3.638 -4.252 -11.604 526 HG LEU 9 HG LEU 9 4.406 -6.345 -13.680 527 1HD1 LEU 9 1HD1 LEU 9 1.993 -5.725 -13.657 528 2HD1 LEU 9 2HD1 LEU 9 2.442 -4.016 -13.814 529 3HD1 LEU 9 3HD1 LEU 9 2.816 -5.156 -15.121 530 1HD2 LEU 9 1HD2 LEU 9 4.936 -3.342 -13.572 531 2HD2 LEU 9 2HD2 LEU 9 6.147 -4.646 -13.625 532 3HD2 LEU 9 3HD2 LEU 9 5.116 -4.348 -15.026 533 H GLU 10 H GLU 10 4.290 -7.302 -9.513 534 HA GLU 10 HA GLU 10 3.653 -5.642 -7.261 535 1HB GLU 10 1HB GLU 10 4.156 -8.649 -7.422 536 2HB GLU 10 2HB GLU 10 3.497 -7.729 -6.089 537 1HG GLU 10 1HG GLU 10 2.162 -7.990 -8.805 538 2HG GLU 10 2HG GLU 10 1.755 -8.951 -7.381 539 H LEU 11 H LEU 11 6.420 -7.768 -8.088 540 HA LEU 11 HA LEU 11 7.683 -7.671 -5.579 541 1HB LEU 11 1HB LEU 11 8.267 -9.266 -7.262 542 2HB LEU 11 2HB LEU 11 8.900 -8.030 -8.349 543 HG LEU 11 HG LEU 11 10.089 -8.167 -5.583 544 1HD1 LEU 11 1HD1 LEU 11 9.952 -10.536 -6.176 545 2HD1 LEU 11 2HD1 LEU 11 10.698 -10.209 -7.756 546 3HD1 LEU 11 3HD1 LEU 11 11.628 -9.973 -6.260 547 1HD2 LEU 11 1HD2 LEU 11 11.291 -7.809 -8.376 548 2HD2 LEU 11 2HD2 LEU 11 10.916 -6.486 -7.257 549 3HD2 LEU 11 3HD2 LEU 11 12.165 -7.662 -6.840 550 H GLN 12 H GLN 12 7.923 -5.404 -8.333 551 HA GLN 12 HA GLN 12 9.897 -3.691 -7.113 552 1HB GLN 12 1HB GLN 12 7.678 -3.188 -9.163 553 2HB GLN 12 2HB GLN 12 8.711 -1.899 -8.568 554 1HG GLN 12 1HG GLN 12 10.189 -2.352 -10.139 555 2HG GLN 12 2HG GLN 12 10.592 -3.837 -9.282 556 1HE2 GLN 12 2HE2 GLN 12 7.776 -2.829 -11.339 557 2HE2 GLN 12 1HE2 GLN 12 7.988 -4.142 -12.488 558 H LEU 13 H LEU 13 6.461 -3.885 -6.443 559 HA LEU 13 HA LEU 13 6.246 -1.380 -5.064 560 1HB LEU 13 1HB LEU 13 4.668 -3.930 -4.504 561 2HB LEU 13 2HB LEU 13 4.320 -2.289 -3.997 562 HG LEU 13 HG LEU 13 4.233 -3.314 -6.858 563 1HD1 LEU 13 1HD1 LEU 13 2.396 -4.198 -5.696 564 2HD1 LEU 13 2HD1 LEU 13 2.235 -2.816 -4.636 565 3HD1 LEU 13 3HD1 LEU 13 1.719 -2.673 -6.320 566 1HD2 LEU 13 1HD2 LEU 13 3.700 -0.539 -5.721 567 2HD2 LEU 13 2HD2 LEU 13 4.889 -0.993 -6.951 568 3HD2 LEU 13 3HD2 LEU 13 3.164 -1.081 -7.326 569 H ILE 14 H ILE 14 6.891 -4.788 -4.096 570 HA ILE 14 HA ILE 14 7.295 -4.147 -1.312 571 HB ILE 14 HB ILE 14 8.319 -6.502 -3.014 572 1HG1 ILE 14 1HG1 ILE 14 6.005 -6.561 -3.365 573 2HG1 ILE 14 2HG1 ILE 14 6.257 -7.692 -2.043 574 1HG2 ILE 14 1HG2 ILE 14 9.471 -6.656 -0.972 575 2HG2 ILE 14 2HG2 ILE 14 8.035 -6.201 -0.028 576 3HG2 ILE 14 3HG2 ILE 14 8.138 -7.785 -0.834 577 1HD1 ILE 14 1HD1 ILE 14 5.716 -5.696 -0.473 578 2HD1 ILE 14 2HD1 ILE 14 5.134 -4.883 -1.947 579 3HD1 ILE 14 3HD1 ILE 14 4.376 -6.379 -1.422 580 H LYS 15 H LYS 15 9.120 -2.864 -3.607 581 HA LYS 15 HA LYS 15 11.734 -3.241 -2.267 582 1HB LYS 15 1HB LYS 15 11.046 -3.815 -4.981 583 2HB LYS 15 2HB LYS 15 11.725 -2.202 -5.022 584 1HG LYS 15 1HG LYS 15 13.464 -3.763 -5.435 585 2HG LYS 15 2HG LYS 15 13.762 -3.140 -3.804 586 1HD LYS 15 1HD LYS 15 12.821 -5.174 -2.799 587 2HD LYS 15 2HD LYS 15 12.254 -5.757 -4.364 588 1HE LYS 15 1HE LYS 15 15.202 -5.309 -3.677 589 2HE LYS 15 2HE LYS 15 14.364 -6.863 -3.522 590 1HZ LYS 15 1HZ LYS 15 13.903 -6.815 -5.846 591 2HZ LYS 15 2HZ LYS 15 14.665 -5.366 -6.028 592 3HZ LYS 15 3HZ LYS 15 15.525 -6.700 -5.586 593 H GLN 16 H GLN 16 9.389 -1.305 -4.162 594 HA GLN 16 HA GLN 16 10.564 1.262 -3.563 595 1HB GLN 16 1HB GLN 16 7.837 0.329 -4.544 596 2HB GLN 16 2HB GLN 16 8.319 2.031 -4.451 597 1HG GLN 16 1HG GLN 16 10.086 1.750 -6.021 598 2HG GLN 16 2HG GLN 16 10.051 0.003 -5.954 599 1HE2 GLN 16 2HE2 GLN 16 9.639 2.084 -8.207 600 2HE2 GLN 16 1HE2 GLN 16 8.222 1.420 -9.020 601 H TYR 17 H TYR 17 8.303 -0.868 -1.947 602 HA TYR 17 HA TYR 17 7.328 0.998 -0.016 603 1HB TYR 17 1HB TYR 17 7.386 -2.036 -0.413 604 2HB TYR 17 2HB TYR 17 7.012 -1.448 1.163 605 HD1 TYR 17 HD1 TYR 17 5.298 -2.765 -1.455 606 HD2 TYR 17 HD2 TYR 17 5.311 0.665 1.106 607 HE1 TYR 17 HE1 TYR 17 2.902 -2.434 -1.886 608 HE2 TYR 17 HE2 TYR 17 2.865 0.808 0.955 609 HH TYR 17 HH TYR 17 0.998 -1.266 -1.299 610 H ARG 18 H ARG 18 10.150 -1.098 -0.200 611 HA ARG 18 HA ARG 18 10.771 -0.727 2.664 612 1HB ARG 18 1HB ARG 18 12.321 -2.067 0.417 613 2HB ARG 18 2HB ARG 18 12.878 -1.946 2.096 614 1HG ARG 18 1HG ARG 18 10.870 -3.178 2.882 615 2HG ARG 18 2HG ARG 18 10.267 -3.247 1.225 616 1HD ARG 18 1HD ARG 18 11.188 -5.350 1.585 617 2HD ARG 18 2HD ARG 18 12.390 -4.502 0.599 618 HE ARG 18 HE ARG 18 12.983 -4.147 3.388 619 1HH1 ARG 18 1HH2 ARG 18 13.002 -6.612 0.881 620 2HH1 ARG 18 2HH2 ARG 18 14.126 -7.668 1.688 621 1HH2 ARG 18 1HH1 ARG 18 14.418 -5.529 4.521 622 2HH2 ARG 18 2HH1 ARG 18 14.950 -7.031 3.818 623 H GLU 19 H GLU 19 11.747 0.406 -0.489 624 HA GLU 19 HA GLU 19 13.790 2.205 0.298 625 1HB GLU 19 1HB GLU 19 13.046 1.352 -2.055 626 2HB GLU 19 2HB GLU 19 11.910 2.710 -2.012 627 1HG GLU 19 1HG GLU 19 13.859 4.253 -1.681 628 2HG GLU 19 2HG GLU 19 14.948 2.857 -1.714 629 H ALA 20 H ALA 20 10.216 2.684 -0.127 630 HA ALA 20 HA ALA 20 10.426 5.442 0.698 631 1HB ALA 20 1HB ALA 20 8.633 4.880 -0.757 632 2HB ALA 20 2HB ALA 20 8.043 3.644 0.376 633 3HB ALA 20 3HB ALA 20 7.942 5.371 0.794 634 H LEU 21 H LEU 21 9.944 2.394 2.454 635 HA LEU 21 HA LEU 21 8.760 3.102 4.754 636 1HB LEU 21 1HB LEU 21 9.759 0.852 4.210 637 2HB LEU 21 2HB LEU 21 11.341 1.505 4.650 638 HG LEU 21 HG LEU 21 10.513 1.871 6.982 639 1HD1 LEU 21 1HD1 LEU 21 8.067 2.010 6.570 640 2HD1 LEU 21 2HD1 LEU 21 8.075 0.335 5.971 641 3HD1 LEU 21 3HD1 LEU 21 8.432 0.681 7.673 642 1HD2 LEU 21 1HD2 LEU 21 10.234 -0.964 5.889 643 2HD2 LEU 21 2HD2 LEU 21 11.757 -0.168 6.340 644 3HD2 LEU 21 3HD2 LEU 21 10.542 -0.525 7.582 645 H GLU 22 H GLU 22 12.121 3.953 3.938 646 HA GLU 22 HA GLU 22 12.637 5.127 6.553 647 1HB GLU 22 1HB GLU 22 14.291 5.214 3.993 648 2HB GLU 22 2HB GLU 22 14.785 5.778 5.597 649 1HG GLU 22 1HG GLU 22 14.295 3.399 6.448 650 2HG GLU 22 2HG GLU 22 14.189 2.913 4.746 651 H TYR 23 H TYR 23 11.863 6.289 3.276 652 HA TYR 23 HA TYR 23 12.180 9.097 3.793 653 1HB TYR 23 1HB TYR 23 10.972 7.379 1.694 654 2HB TYR 23 2HB TYR 23 10.113 8.879 1.944 655 HD1 TYR 23 HD1 TYR 23 10.831 10.837 0.863 656 HD2 TYR 23 HD2 TYR 23 13.606 7.577 1.403 657 HE1 TYR 23 HE1 TYR 23 12.518 12.043 -0.492 658 HE2 TYR 23 HE2 TYR 23 15.301 8.806 0.084 659 HH TYR 23 HH TYR 23 15.784 10.734 -1.076 660 H VAL 24 H VAL 24 9.552 6.800 4.349 661 HA VAL 24 HA VAL 24 7.709 8.973 5.136 662 HB VAL 24 HB VAL 24 7.245 5.982 4.971 663 1HG1 VAL 24 1HG1 VAL 24 5.575 7.180 6.350 664 2HG1 VAL 24 2HG1 VAL 24 5.350 8.385 5.080 665 3HG1 VAL 24 3HG1 VAL 24 4.833 6.713 4.812 666 1HG2 VAL 24 1HG2 VAL 24 6.519 8.126 2.945 667 2HG2 VAL 24 2HG2 VAL 24 7.859 7.013 2.711 668 3HG2 VAL 24 3HG2 VAL 24 6.207 6.396 2.794 669 H LYS 25 H LYS 25 9.516 6.304 6.641 670 HA LYS 25 HA LYS 25 9.718 5.533 8.730 671 1HB LYS 25 1HB LYS 25 9.316 8.442 9.528 672 2HB LYS 25 2HB LYS 25 9.822 7.127 10.589 673 1HG LYS 25 1HG LYS 25 11.707 6.767 8.721 674 2HG LYS 25 2HG LYS 25 11.353 8.465 8.373 675 1HD LYS 25 1HD LYS 25 11.686 8.989 10.817 676 2HD LYS 25 2HD LYS 25 12.061 7.276 11.109 677 1HE LYS 25 1HE LYS 25 13.992 7.476 9.494 678 2HE LYS 25 2HE LYS 25 13.665 9.215 9.388 679 1HZ LYS 25 1HZ LYS 25 14.018 9.339 11.766 680 2HZ LYS 25 2HZ LYS 25 14.349 7.726 11.831 681 3HZ LYS 25 3HZ LYS 25 15.349 8.737 11.002 682 H LEU 26 H LEU 26 7.638 4.417 8.144 683 HA LEU 26 HA LEU 26 5.730 4.903 10.361 684 1HB LEU 26 1HB LEU 26 5.214 5.415 7.619 685 2HB LEU 26 2HB LEU 26 4.359 3.932 7.952 686 HG LEU 26 HG LEU 26 3.968 6.105 9.991 687 1HD1 LEU 26 1HD1 LEU 26 4.052 7.529 8.050 688 2HD1 LEU 26 2HD1 LEU 26 3.003 6.432 7.125 689 3HD1 LEU 26 3HD1 LEU 26 2.363 7.324 8.522 690 1HD2 LEU 26 1HD2 LEU 26 2.031 4.396 8.365 691 2HD2 LEU 26 2HD2 LEU 26 2.694 3.947 9.954 692 3HD2 LEU 26 3HD2 LEU 26 1.636 5.363 9.795 693 HA PRO 27 HA PRO 27 6.858 0.551 10.650 694 1HB PRO 27 1HB PRO 27 5.187 -0.256 12.682 695 2HB PRO 27 2HB PRO 27 6.670 0.704 12.940 696 1HG PRO 27 1HG PRO 27 3.823 1.715 12.768 697 2HG PRO 27 2HG PRO 27 5.069 2.141 13.972 698 1HD PRO 27 1HD PRO 27 4.541 3.724 11.824 699 2HD PRO 27 2HD PRO 27 6.213 3.534 12.425 700 H VAL 28 H VAL 28 3.492 1.665 10.483 701 HA VAL 28 HA VAL 28 2.159 -0.661 9.766 702 HB VAL 28 HB VAL 28 1.616 2.086 8.711 703 1HG1 VAL 28 1HG1 VAL 28 0.292 0.353 7.583 704 2HG1 VAL 28 2HG1 VAL 28 -0.237 -0.291 9.149 705 3HG1 VAL 28 3HG1 VAL 28 -0.744 1.329 8.623 706 1HG2 VAL 28 1HG2 VAL 28 0.613 0.778 11.283 707 2HG2 VAL 28 2HG2 VAL 28 1.707 2.175 11.207 708 3HG2 VAL 28 3HG2 VAL 28 0.049 2.328 10.630 709 H LEU 29 H LEU 29 4.269 1.393 7.764 710 HA LEU 29 HA LEU 29 3.391 0.507 5.215 711 1HB LEU 29 1HB LEU 29 5.570 2.118 6.368 712 2HB LEU 29 2HB LEU 29 6.134 1.161 5.013 713 HG LEU 29 HG LEU 29 3.586 2.814 4.829 714 1HD1 LEU 29 1HD1 LEU 29 5.346 4.372 5.517 715 2HD1 LEU 29 2HD1 LEU 29 6.452 3.716 4.291 716 3HD1 LEU 29 3HD1 LEU 29 4.983 4.583 3.793 717 1HD2 LEU 29 1HD2 LEU 29 5.686 1.921 2.816 718 2HD2 LEU 29 2HD2 LEU 29 4.150 1.063 3.097 719 3HD2 LEU 29 3HD2 LEU 29 4.141 2.710 2.432 720 H ALA 30 H ALA 30 6.167 -0.664 7.201 721 HA ALA 30 HA ALA 30 6.787 -2.882 5.523 722 1HB ALA 30 1HB ALA 30 8.282 -2.048 7.314 723 2HB ALA 30 2HB ALA 30 7.105 -2.559 8.545 724 3HB ALA 30 3HB ALA 30 7.917 -3.771 7.529 725 H LYS 31 H LYS 31 4.217 -2.431 7.942 726 HA LYS 31 HA LYS 31 3.607 -5.298 8.040 727 1HB LYS 31 1HB LYS 31 2.856 -2.961 9.519 728 2HB LYS 31 2HB LYS 31 1.392 -3.537 8.733 729 1HG LYS 31 1HG LYS 31 1.403 -4.558 10.807 730 2HG LYS 31 2HG LYS 31 1.904 -5.853 9.724 731 1HD LYS 31 1HD LYS 31 3.902 -4.127 11.300 732 2HD LYS 31 2HD LYS 31 3.096 -5.536 12.004 733 1HE LYS 31 1HE LYS 31 4.021 -6.948 10.120 734 2HE LYS 31 2HE LYS 31 5.032 -5.562 9.653 735 1HZ LYS 31 1HZ LYS 31 6.018 -5.609 11.794 736 2HZ LYS 31 2HZ LYS 31 5.055 -6.862 12.274 737 3HZ LYS 31 3HZ LYS 31 6.155 -7.085 11.072 738 H ILE 32 H ILE 32 2.655 -2.603 6.041 739 HA ILE 32 HA ILE 32 0.350 -3.890 4.822 740 HB ILE 32 HB ILE 32 2.004 -1.388 4.264 741 1HG1 ILE 32 1HG1 ILE 32 -0.973 -1.696 4.813 742 2HG1 ILE 32 2HG1 ILE 32 0.219 -1.488 6.087 743 1HG2 ILE 32 1HG2 ILE 32 1.557 -2.158 2.064 744 2HG2 ILE 32 2HG2 ILE 32 -0.058 -2.716 2.512 745 3HG2 ILE 32 3HG2 ILE 32 0.291 -0.979 2.379 746 1HD1 ILE 32 1HD1 ILE 32 0.916 0.682 5.105 747 2HD1 ILE 32 2HD1 ILE 32 -0.321 0.513 3.842 748 3HD1 ILE 32 3HD1 ILE 32 -0.806 0.654 5.528 749 H LEU 33 H LEU 33 3.762 -3.151 3.963 750 HA LEU 33 HA LEU 33 3.653 -4.548 1.464 751 1HB LEU 33 1HB LEU 33 5.842 -3.921 1.226 752 2HB LEU 33 2HB LEU 33 5.286 -2.762 2.436 753 HG LEU 33 HG LEU 33 6.212 -4.316 4.161 754 1HD1 LEU 33 1HD1 LEU 33 6.983 -6.307 3.607 755 2HD1 LEU 33 2HD1 LEU 33 6.800 -5.958 1.876 756 3HD1 LEU 33 3HD1 LEU 33 8.299 -5.522 2.721 757 1HD2 LEU 33 1HD2 LEU 33 8.125 -3.101 2.144 758 2HD2 LEU 33 2HD2 LEU 33 7.249 -2.178 3.387 759 3HD2 LEU 33 3HD2 LEU 33 8.468 -3.373 3.869 760 H GLU 34 H GLU 34 4.402 -5.700 4.801 761 HA GLU 34 HA GLU 34 5.229 -8.291 4.005 762 1HB GLU 34 1HB GLU 34 5.242 -7.182 6.386 763 2HB GLU 34 2HB GLU 34 3.579 -7.720 6.499 764 1HG GLU 34 1HG GLU 34 4.694 -10.067 5.735 765 2HG GLU 34 2HG GLU 34 6.134 -9.319 6.431 766 H ASP 35 H ASP 35 2.018 -7.014 4.907 767 HA ASP 35 HA ASP 35 0.566 -9.427 4.552 768 1HB ASP 35 1HB ASP 35 -0.285 -7.265 5.564 769 2HB ASP 35 2HB ASP 35 -0.506 -6.657 3.913 770 H GLU 36 H GLU 36 1.163 -6.776 2.204 771 HA GLU 36 HA GLU 36 0.042 -8.024 -0.061 772 1HB GLU 36 1HB GLU 36 2.413 -6.120 0.127 773 2HB GLU 36 2HB GLU 36 1.547 -6.514 -1.364 774 1HG GLU 36 1HG GLU 36 0.197 -5.163 1.023 775 2HG GLU 36 2HG GLU 36 0.954 -4.342 -0.359 776 H GLU 37 H GLU 37 3.444 -8.390 1.293 777 HA GLU 37 HA GLU 37 4.596 -9.599 -0.844 778 1HB GLU 37 1HB GLU 37 5.815 -8.661 1.053 779 2HB GLU 37 2HB GLU 37 4.919 -9.648 2.193 780 1HG GLU 37 1HG GLU 37 5.755 -11.598 1.489 781 2HG GLU 37 2HG GLU 37 6.544 -10.844 0.068 782 H LYS 38 H LYS 38 2.501 -10.890 1.804 783 HA LYS 38 HA LYS 38 2.830 -13.611 0.907 784 1HB LYS 38 1HB LYS 38 1.927 -12.587 3.229 785 2HB LYS 38 2HB LYS 38 0.369 -12.724 2.406 786 1HG LYS 38 1HG LYS 38 0.659 -14.793 3.569 787 2HG LYS 38 2HG LYS 38 1.035 -15.150 1.876 788 1HD LYS 38 1HD LYS 38 3.547 -14.518 2.704 789 2HD LYS 38 2HD LYS 38 2.879 -14.915 4.281 790 1HE LYS 38 1HE LYS 38 2.291 -17.181 3.487 791 2HE LYS 38 2HE LYS 38 2.742 -16.747 1.827 792 1HZ LYS 38 1HZ LYS 38 4.980 -16.429 2.559 793 2HZ LYS 38 2HZ LYS 38 4.590 -16.872 4.099 794 3HZ LYS 38 3HZ LYS 38 4.468 -17.959 2.861 795 H HIS 39 H HIS 39 0.353 -11.135 0.213 796 HA HIS 39 HA HIS 39 -1.280 -12.806 -1.423 797 1HB HIS 39 1HB HIS 39 -0.854 -9.829 -1.141 798 2HB HIS 39 2HB HIS 39 -1.663 -10.401 -2.581 799 HD1 HIS 39 HD1 HIS 39 -3.758 -12.217 -2.024 800 HD2 HIS 39 HD2 HIS 39 -2.336 -9.778 1.091 801 HE1 HIS 39 HE1 HIS 39 -5.452 -12.441 -0.172 802 HE2 HIS 39 HE2 HIS 39 -4.606 -10.877 1.759 803 H ILE 40 H ILE 40 1.634 -10.982 -2.207 804 HA ILE 40 HA ILE 40 1.560 -11.593 -5.042 805 HB ILE 40 HB ILE 40 3.756 -10.553 -3.212 806 1HG1 ILE 40 1HG1 ILE 40 2.069 -8.958 -5.169 807 2HG1 ILE 40 2HG1 ILE 40 1.475 -9.209 -3.572 808 1HG2 ILE 40 1HG2 ILE 40 4.737 -11.464 -5.286 809 2HG2 ILE 40 2HG2 ILE 40 3.542 -10.592 -6.260 810 3HG2 ILE 40 3HG2 ILE 40 4.783 -9.707 -5.348 811 1HD1 ILE 40 1HD1 ILE 40 3.392 -8.209 -2.505 812 2HD1 ILE 40 2HD1 ILE 40 4.193 -7.939 -4.048 813 3HD1 ILE 40 3HD1 ILE 40 2.681 -7.083 -3.674 814 H GLU 41 H GLU 41 3.143 -12.936 -2.161 815 HA GLU 41 HA GLU 41 4.854 -14.796 -3.308 816 1HB GLU 41 1HB GLU 41 4.737 -14.223 -0.914 817 2HB GLU 41 2HB GLU 41 3.245 -15.163 -0.751 818 1HG GLU 41 1HG GLU 41 5.566 -16.573 -1.996 819 2HG GLU 41 2HG GLU 41 5.794 -16.042 -0.325 820 H TRP 42 H TRP 42 1.299 -14.963 -2.804 821 HA TRP 42 HA TRP 42 0.803 -17.576 -3.457 822 1HB TRP 42 1HB TRP 42 -0.724 -15.559 -2.845 823 2HB TRP 42 2HB TRP 42 -0.819 -15.294 -4.584 824 HD1 TRP 42 HD1 TRP 42 -1.988 -17.549 -1.839 825 HE1 TRP 42 HE1 TRP 42 -3.617 -19.334 -2.731 826 HE3 TRP 42 HE3 TRP 42 -1.394 -16.650 -6.759 827 HZ2 TRP 42 HZ2 TRP 42 -4.407 -20.370 -5.373 828 HZ3 TRP 42 HZ3 TRP 42 -2.603 -18.015 -8.495 829 HH2 TRP 42 HH2 TRP 42 -4.002 -19.943 -7.789 830 H LEU 43 H LEU 43 1.526 -14.889 -5.673 831 HA LEU 43 HA LEU 43 1.225 -16.497 -8.124 832 1HB LEU 43 1HB LEU 43 2.283 -13.706 -7.586 833 2HB LEU 43 2HB LEU 43 2.270 -14.469 -9.172 834 HG LEU 43 HG LEU 43 -0.382 -14.735 -8.178 835 1HD1 LEU 43 1HD1 LEU 43 0.096 -12.994 -6.497 836 2HD1 LEU 43 2HD1 LEU 43 0.701 -11.913 -7.766 837 3HD1 LEU 43 3HD1 LEU 43 -1.012 -12.374 -7.736 838 1HD2 LEU 43 1HD2 LEU 43 0.796 -12.764 -10.191 839 2HD2 LEU 43 2HD2 LEU 43 0.258 -14.412 -10.548 840 3HD2 LEU 43 3HD2 LEU 43 -0.919 -13.181 -10.048 841 H GLU 44 H GLU 44 3.824 -15.164 -6.070 842 HA GLU 44 HA GLU 44 5.978 -16.432 -7.545 843 1HB GLU 44 1HB GLU 44 5.633 -14.514 -5.378 844 2HB GLU 44 2HB GLU 44 6.799 -15.703 -4.861 845 1HG GLU 44 1HG GLU 44 7.221 -14.645 -7.628 846 2HG GLU 44 2HG GLU 44 7.298 -13.460 -6.324 847 H THR 45 H THR 45 3.830 -18.270 -6.555 848 HA THR 45 HA THR 45 5.683 -20.358 -5.670 849 HB THR 45 HB THR 45 4.777 -19.033 -3.664 850 HG1 THR 45 HG1 THR 45 5.028 -20.801 -2.456 851 1HG2 THR 45 1HG2 THR 45 2.418 -18.994 -4.203 852 2HG2 THR 45 2HG2 THR 45 2.321 -20.752 -3.995 853 3HG2 THR 45 3HG2 THR 45 2.738 -19.700 -2.628 854 H ILE 46 H ILE 46 2.371 -19.381 -6.209 855 HA ILE 46 HA ILE 46 0.598 -20.322 -7.188 856 HB ILE 46 HB ILE 46 1.806 -19.282 -8.978 857 1HG1 ILE 46 1HG1 ILE 46 0.802 -20.233 -10.897 858 2HG1 ILE 46 2HG1 ILE 46 0.565 -21.803 -10.123 859 1HG2 ILE 46 1HG2 ILE 46 3.918 -20.417 -9.062 860 2HG2 ILE 46 2HG2 ILE 46 3.147 -21.953 -9.520 861 3HG2 ILE 46 3HG2 ILE 46 3.139 -20.573 -10.631 862 1HD1 ILE 46 1HD1 ILE 46 -1.081 -20.826 -8.584 863 2HD1 ILE 46 2HD1 ILE 46 -0.684 -19.192 -9.180 864 3HD1 ILE 46 3HD1 ILE 46 -1.497 -20.363 -10.242 865 H LEU 47 H LEU 47 1.213 -21.940 -5.305 866 HA LEU 47 HA LEU 47 1.776 -24.634 -6.177 867 1HB LEU 47 1HB LEU 47 1.969 -23.145 -3.761 868 2HB LEU 47 2HB LEU 47 0.821 -24.403 -3.393 869 HG LEU 47 HG LEU 47 3.010 -25.090 -2.790 870 1HD1 LEU 47 1HD1 LEU 47 1.509 -26.838 -3.719 871 2HD1 LEU 47 2HD1 LEU 47 2.282 -26.646 -5.309 872 3HD1 LEU 47 3HD1 LEU 47 3.231 -27.210 -3.925 873 1HD2 LEU 47 1HD2 LEU 47 3.941 -24.680 -5.664 874 2HD2 LEU 47 2HD2 LEU 47 4.301 -23.618 -4.293 875 3HD2 LEU 47 3HD2 LEU 47 4.894 -25.287 -4.302 876 H GLY 48 H GLY 48 -0.180 -24.263 -7.730 877 1HA GLY 48 1HA GLY 48 -2.207 -26.138 -7.194 878 2HA GLY 48 2HA GLY 48 -2.832 -24.565 -6.657 879 1HN NH2 49 1HN NH2 49 -1.045 -26.021 -9.454 880 2HN NH2 49 2HN NH2 49 -1.931 -25.108 -10.704 Start of MODEL 12 1 1H ACE 0 H1 ACE 0 8.263 17.545 -5.225 2 2H ACE 0 H2 ACE 0 7.116 18.868 -4.947 3 3H ACE 0 H3 ACE 0 6.522 17.264 -5.426 4 H ASP 1 H ASP 1 5.461 18.450 -3.202 5 HA ASP 1 HA ASP 1 6.836 17.334 -0.805 6 1HB ASP 1 1HB ASP 1 6.140 19.709 -0.827 7 2HB ASP 1 2HB ASP 1 4.446 19.222 -0.959 8 H TYR 2 H TYR 2 3.436 17.633 -1.868 9 HA TYR 2 HA TYR 2 2.172 15.619 -0.562 10 1HB TYR 2 1HB TYR 2 0.814 16.839 -1.923 11 2HB TYR 2 2HB TYR 2 1.944 16.835 -3.279 12 HD1 TYR 2 HD1 TYR 2 0.145 14.104 -1.449 13 HD2 TYR 2 HD2 TYR 2 0.746 16.186 -5.159 14 HE1 TYR 2 HE1 TYR 2 -1.368 12.511 -2.586 15 HE2 TYR 2 HE2 TYR 2 -0.712 14.562 -6.308 16 HH TYR 2 HH TYR 2 -2.055 11.697 -4.670 17 H LEU 3 H LEU 3 3.657 15.090 -3.757 18 HA LEU 3 HA LEU 3 3.595 12.235 -3.265 19 1HB LEU 3 1HB LEU 3 4.428 12.166 -5.747 20 2HB LEU 3 2HB LEU 3 2.760 12.356 -5.228 21 HG LEU 3 HG LEU 3 2.850 14.746 -5.519 22 1HD1 LEU 3 1HD1 LEU 3 5.304 15.133 -5.231 23 2HD1 LEU 3 2HD1 LEU 3 5.603 14.275 -6.756 24 3HD1 LEU 3 3HD1 LEU 3 4.711 15.811 -6.759 25 1HD2 LEU 3 1HD2 LEU 3 3.648 13.179 -8.001 26 2HD2 LEU 3 2HD2 LEU 3 2.013 13.313 -7.321 27 3HD2 LEU 3 3HD2 LEU 3 2.812 14.745 -7.983 28 H ARG 4 H ARG 4 5.401 13.515 -1.570 29 HA ARG 4 HA ARG 4 8.114 13.311 -2.246 30 1HB ARG 4 1HB ARG 4 6.436 12.924 0.241 31 2HB ARG 4 2HB ARG 4 8.089 12.347 0.308 32 1HG ARG 4 1HG ARG 4 7.859 15.082 -0.831 33 2HG ARG 4 2HG ARG 4 7.272 14.943 0.830 34 1HD ARG 4 1HD ARG 4 9.704 15.525 0.654 35 2HD ARG 4 2HD ARG 4 9.323 14.082 1.624 36 HE ARG 4 HE ARG 4 9.918 13.511 -1.179 37 1HH1 ARG 4 1HH2 ARG 4 11.403 14.123 1.946 38 2HH1 ARG 4 2HH2 ARG 4 12.739 13.029 1.712 39 1HH2 ARG 4 1HH1 ARG 4 11.582 12.028 -1.512 40 2HH2 ARG 4 2HH1 ARG 4 12.873 11.834 -0.353 41 H GLU 5 H GLU 5 5.903 10.799 -1.120 42 HA GLU 5 HA GLU 5 7.858 8.654 -1.944 43 1HB GLU 5 1HB GLU 5 5.747 8.705 0.252 44 2HB GLU 5 2HB GLU 5 6.651 7.273 -0.265 45 1HG GLU 5 1HG GLU 5 8.795 8.423 0.276 46 2HG GLU 5 2HG GLU 5 7.896 9.836 0.840 47 H LEU 6 H LEU 6 4.669 9.935 -2.457 48 HA LEU 6 HA LEU 6 3.308 7.518 -2.992 49 1HB LEU 6 1HB LEU 6 2.627 10.341 -3.823 50 2HB LEU 6 2HB LEU 6 1.583 8.935 -3.969 51 HG LEU 6 HG LEU 6 1.163 8.715 -1.699 52 1HD1 LEU 6 1HD1 LEU 6 3.358 9.174 -0.667 53 2HD1 LEU 6 2HD1 LEU 6 3.260 10.871 -1.172 54 3HD1 LEU 6 3HD1 LEU 6 2.127 10.224 0.026 55 1HD2 LEU 6 1HD2 LEU 6 1.054 11.644 -2.041 56 2HD2 LEU 6 2HD2 LEU 6 0.222 10.600 -3.216 57 3HD2 LEU 6 3HD2 LEU 6 -0.187 10.461 -1.524 58 H LEU 7 H LEU 7 5.753 8.790 -4.841 59 HA LEU 7 HA LEU 7 4.659 7.706 -7.321 60 1HB LEU 7 1HB LEU 7 5.190 10.096 -7.414 61 2HB LEU 7 2HB LEU 7 6.856 9.795 -6.918 62 HG LEU 7 HG LEU 7 5.768 8.403 -9.372 63 1HD1 LEU 7 1HD1 LEU 7 5.071 10.767 -9.625 64 2HD1 LEU 7 2HD1 LEU 7 6.738 11.292 -9.309 65 3HD1 LEU 7 3HD1 LEU 7 6.356 10.351 -10.769 66 1HD2 LEU 7 1HD2 LEU 7 8.511 9.532 -8.657 67 2HD2 LEU 7 2HD2 LEU 7 8.066 7.815 -8.729 68 3HD2 LEU 7 3HD2 LEU 7 8.091 8.770 -10.205 69 H LYS 8 H LYS 8 7.612 7.872 -5.304 70 HA LYS 8 HA LYS 8 8.974 6.186 -7.075 71 1HB LYS 8 1HB LYS 8 9.999 7.854 -5.416 72 2HB LYS 8 2HB LYS 8 9.679 6.657 -4.146 73 1HG LYS 8 1HG LYS 8 11.045 4.996 -5.569 74 2HG LYS 8 2HG LYS 8 11.474 6.374 -6.599 75 1HD LYS 8 1HD LYS 8 12.435 7.522 -4.573 76 2HD LYS 8 2HD LYS 8 12.017 6.094 -3.601 77 1HE LYS 8 1HE LYS 8 13.453 4.690 -5.146 78 2HE LYS 8 2HE LYS 8 13.949 6.181 -5.971 79 1HZ LYS 8 1HZ LYS 8 14.832 6.947 -3.874 80 2HZ LYS 8 2HZ LYS 8 14.383 5.542 -3.137 81 3HZ LYS 8 3HZ LYS 8 15.522 5.519 -4.324 82 H LEU 9 H LEU 9 7.187 5.610 -4.075 83 HA LEU 9 HA LEU 9 8.017 2.789 -3.881 84 1HB LEU 9 1HB LEU 9 5.623 4.239 -2.682 85 2HB LEU 9 2HB LEU 9 6.116 2.578 -2.312 86 HG LEU 9 HG LEU 9 7.828 5.039 -1.761 87 1HD1 LEU 9 1HD1 LEU 9 5.755 4.993 -0.405 88 2HD1 LEU 9 2HD1 LEU 9 6.128 3.338 0.115 89 3HD1 LEU 9 3HD1 LEU 9 7.190 4.680 0.590 90 1HD2 LEU 9 1HD2 LEU 9 8.115 2.107 -0.934 91 2HD2 LEU 9 2HD2 LEU 9 9.210 3.004 -2.011 92 3HD2 LEU 9 3HD2 LEU 9 9.100 3.442 -0.306 93 H GLU 10 H GLU 10 5.299 4.664 -5.159 94 HA GLU 10 HA GLU 10 3.640 2.625 -6.030 95 1HB GLU 10 1HB GLU 10 4.171 5.537 -6.632 96 2HB GLU 10 2HB GLU 10 3.241 4.776 -7.842 97 1HG GLU 10 1HG GLU 10 1.679 5.653 -6.320 98 2HG GLU 10 2HG GLU 10 1.689 3.938 -5.930 99 H LEU 11 H LEU 11 6.302 4.196 -7.880 100 HA LEU 11 HA LEU 11 6.029 2.491 -10.188 101 1HB LEU 11 1HB LEU 11 7.283 4.622 -10.226 102 2HB LEU 11 2HB LEU 11 8.358 4.050 -8.948 103 HG LEU 11 HG LEU 11 9.297 2.327 -10.499 104 1HD1 LEU 11 1HD1 LEU 11 7.399 2.072 -12.062 105 2HD1 LEU 11 2HD1 LEU 11 7.578 3.764 -12.574 106 3HD1 LEU 11 3HD1 LEU 11 8.853 2.580 -12.931 107 1HD2 LEU 11 1HD2 LEU 11 9.420 5.208 -11.465 108 2HD2 LEU 11 2HD2 LEU 11 10.391 4.493 -10.159 109 3HD2 LEU 11 3HD2 LEU 11 10.602 3.930 -11.826 110 H GLN 12 H GLN 12 8.216 2.226 -7.304 111 HA GLN 12 HA GLN 12 9.636 0.009 -8.161 112 1HB GLN 12 1HB GLN 12 10.184 1.419 -6.259 113 2HB GLN 12 2HB GLN 12 8.769 0.872 -5.361 114 1HG GLN 12 1HG GLN 12 10.732 -1.210 -6.329 115 2HG GLN 12 2HG GLN 12 11.228 -0.107 -5.042 116 1HE2 GLN 12 2HE2 GLN 12 9.327 0.207 -3.285 117 2HE2 GLN 12 1HE2 GLN 12 8.706 -1.329 -2.701 118 H LEU 13 H LEU 13 6.428 0.092 -6.643 119 HA LEU 13 HA LEU 13 6.256 -2.681 -6.058 120 1HB LEU 13 1HB LEU 13 3.955 -0.783 -6.713 121 2HB LEU 13 2HB LEU 13 3.872 -2.358 -5.938 122 HG LEU 13 HG LEU 13 4.491 0.301 -4.832 123 1HD1 LEU 13 1HD1 LEU 13 2.531 -1.147 -4.309 124 2HD1 LEU 13 2HD1 LEU 13 3.631 -2.344 -3.586 125 3HD1 LEU 13 3HD1 LEU 13 3.516 -0.720 -2.890 126 1HD2 LEU 13 1HD2 LEU 13 6.061 -2.122 -3.779 127 2HD2 LEU 13 2HD2 LEU 13 6.777 -0.630 -4.419 128 3HD2 LEU 13 3HD2 LEU 13 5.851 -0.571 -2.932 129 H ILE 14 H ILE 14 5.002 -0.760 -8.832 130 HA ILE 14 HA ILE 14 3.934 -3.005 -10.282 131 HB ILE 14 HB ILE 14 4.797 -0.153 -10.915 132 1HG1 ILE 14 1HG1 ILE 14 2.490 0.135 -11.409 133 2HG1 ILE 14 2HG1 ILE 14 2.191 -1.599 -11.580 134 1HG2 ILE 14 1HG2 ILE 14 5.552 -1.376 -12.931 135 2HG2 ILE 14 2HG2 ILE 14 3.979 -2.202 -13.040 136 3HG2 ILE 14 3HG2 ILE 14 4.097 -0.449 -13.269 137 1HD1 ILE 14 1HD1 ILE 14 2.344 -1.932 -9.161 138 2HD1 ILE 14 2HD1 ILE 14 2.825 -0.233 -8.940 139 3HD1 ILE 14 3HD1 ILE 14 1.209 -0.652 -9.535 140 H LYS 15 H LYS 15 7.166 -1.535 -10.232 141 HA LYS 15 HA LYS 15 8.372 -3.363 -12.049 142 1HB LYS 15 1HB LYS 15 9.201 -1.217 -10.431 143 2HB LYS 15 2HB LYS 15 9.980 -2.582 -9.674 144 1HG LYS 15 1HG LYS 15 11.484 -1.626 -11.226 145 2HG LYS 15 2HG LYS 15 10.974 -3.161 -11.947 146 1HD LYS 15 1HD LYS 15 9.473 -2.036 -13.491 147 2HD LYS 15 2HD LYS 15 9.579 -0.510 -12.610 148 1HE LYS 15 1HE LYS 15 11.933 -1.814 -14.059 149 2HE LYS 15 2HE LYS 15 10.884 -0.570 -14.759 150 1HZ LYS 15 1HZ LYS 15 11.520 0.900 -12.995 151 2HZ LYS 15 2HZ LYS 15 12.529 -0.232 -12.353 152 3HZ LYS 15 3HZ LYS 15 12.838 0.395 -13.845 153 H GLN 16 H GLN 16 7.939 -3.642 -8.486 154 HA GLN 16 HA GLN 16 9.347 -6.167 -8.400 155 1HB GLN 16 1HB GLN 16 8.237 -4.272 -6.489 156 2HB GLN 16 2HB GLN 16 7.654 -5.884 -6.097 157 1HG GLN 16 1HG GLN 16 9.757 -5.343 -4.949 158 2HG GLN 16 2HG GLN 16 9.900 -6.755 -6.007 159 1HE2 GLN 16 2HE2 GLN 16 12.041 -6.752 -6.673 160 2HE2 GLN 16 1HE2 GLN 16 12.830 -5.354 -7.373 161 H TYR 17 H TYR 17 6.048 -5.276 -8.977 162 HA TYR 17 HA TYR 17 4.833 -7.844 -8.442 163 1HB TYR 17 1HB TYR 17 4.068 -5.244 -9.647 164 2HB TYR 17 2HB TYR 17 3.334 -6.595 -10.432 165 HD1 TYR 17 HD1 TYR 17 3.750 -5.021 -7.070 166 HD2 TYR 17 HD2 TYR 17 1.504 -7.802 -9.473 167 HE1 TYR 17 HE1 TYR 17 1.814 -4.735 -5.588 168 HE2 TYR 17 HE2 TYR 17 -0.456 -7.495 -7.986 169 HH TYR 17 HH TYR 17 -0.543 -4.865 -5.609 170 H ARG 18 H ARG 18 6.558 -6.384 -11.155 171 HA ARG 18 HA ARG 18 5.790 -8.494 -13.052 172 1HB ARG 18 1HB ARG 18 7.914 -6.320 -13.190 173 2HB ARG 18 2HB ARG 18 7.617 -7.514 -14.462 174 1HG ARG 18 1HG ARG 18 5.298 -6.756 -14.713 175 2HG ARG 18 2HG ARG 18 5.501 -5.596 -13.390 176 1HD ARG 18 1HD ARG 18 7.257 -4.423 -14.674 177 2HD ARG 18 2HD ARG 18 7.036 -5.572 -16.023 178 HE ARG 18 HE ARG 18 4.522 -4.426 -15.326 179 1HH1 ARG 18 1HH2 ARG 18 7.586 -3.507 -16.793 180 2HH1 ARG 18 2HH2 ARG 18 6.923 -2.201 -17.739 181 1HH2 ARG 18 1HH1 ARG 18 3.614 -2.735 -16.544 182 2HH2 ARG 18 2HH1 ARG 18 4.595 -1.749 -17.588 183 H GLU 19 H GLU 19 8.544 -7.614 -11.085 184 HA GLU 19 HA GLU 19 10.242 -9.795 -11.600 185 1HB GLU 19 1HB GLU 19 10.686 -7.701 -10.186 186 2HB GLU 19 2HB GLU 19 9.887 -8.566 -8.860 187 1HG GLU 19 1HG GLU 19 11.561 -10.378 -9.029 188 2HG GLU 19 2HG GLU 19 12.336 -9.537 -10.385 189 H ALA 20 H ALA 20 7.502 -9.553 -9.244 190 HA ALA 20 HA ALA 20 7.902 -12.322 -8.347 191 1HB ALA 20 1HB ALA 20 7.034 -10.857 -6.811 192 2HB ALA 20 2HB ALA 20 5.793 -10.227 -7.931 193 3HB ALA 20 3HB ALA 20 5.644 -11.868 -7.249 194 H LEU 21 H LEU 21 5.964 -10.852 -10.954 195 HA LEU 21 HA LEU 21 3.987 -12.701 -11.196 196 1HB LEU 21 1HB LEU 21 4.353 -10.646 -12.558 197 2HB LEU 21 2HB LEU 21 5.464 -11.537 -13.602 198 HG LEU 21 HG LEU 21 2.700 -12.661 -13.091 199 1HD1 LEU 21 1HD1 LEU 21 2.327 -10.243 -13.568 200 2HD1 LEU 21 2HD1 LEU 21 3.243 -10.415 -15.076 201 3HD1 LEU 21 3HD1 LEU 21 1.732 -11.324 -14.842 202 1HD2 LEU 21 1HD2 LEU 21 4.408 -12.572 -15.608 203 2HD2 LEU 21 2HD2 LEU 21 4.204 -13.984 -14.553 204 3HD2 LEU 21 3HD2 LEU 21 2.822 -13.350 -15.442 205 H GLU 22 H GLU 22 7.307 -13.178 -12.255 206 HA GLU 22 HA GLU 22 6.816 -15.650 -13.720 207 1HB GLU 22 1HB GLU 22 9.355 -15.812 -13.603 208 2HB GLU 22 2HB GLU 22 8.685 -14.452 -14.516 209 1HG GLU 22 1HG GLU 22 9.167 -12.893 -12.781 210 2HG GLU 22 2HG GLU 22 9.522 -14.183 -11.610 211 H TYR 23 H TYR 23 7.669 -14.765 -10.396 212 HA TYR 23 HA TYR 23 8.400 -17.466 -9.607 213 1HB TYR 23 1HB TYR 23 7.865 -14.806 -8.227 214 2HB TYR 23 2HB TYR 23 7.980 -16.264 -7.313 215 HD1 TYR 23 HD1 TYR 23 10.112 -17.807 -7.856 216 HD2 TYR 23 HD2 TYR 23 9.863 -13.556 -8.536 217 HE1 TYR 23 HE1 TYR 23 12.576 -17.622 -7.659 218 HE2 TYR 23 HE2 TYR 23 12.310 -13.377 -8.336 219 HH TYR 23 HH TYR 23 14.280 -14.502 -7.970 220 H VAL 24 H VAL 24 5.516 -15.399 -9.618 221 HA VAL 24 HA VAL 24 4.002 -17.392 -8.049 222 HB VAL 24 HB VAL 24 3.150 -14.739 -9.228 223 1HG1 VAL 24 1HG1 VAL 24 1.178 -16.113 -8.771 224 2HG1 VAL 24 2HG1 VAL 24 1.830 -16.606 -7.198 225 3HG1 VAL 24 3HG1 VAL 24 1.331 -14.931 -7.468 226 1HG2 VAL 24 1HG2 VAL 24 3.961 -15.476 -6.375 227 2HG2 VAL 24 2HG2 VAL 24 4.955 -14.517 -7.480 228 3HG2 VAL 24 3HG2 VAL 24 3.404 -13.885 -6.927 229 H LYS 25 H LYS 25 4.352 -16.482 -11.411 230 HA LYS 25 HA LYS 25 3.402 -17.122 -13.335 231 1HB LYS 25 1HB LYS 25 3.302 -19.825 -11.950 232 2HB LYS 25 2HB LYS 25 3.143 -19.520 -13.690 233 1HG LYS 25 1HG LYS 25 5.449 -18.252 -13.390 234 2HG LYS 25 2HG LYS 25 5.593 -19.256 -11.941 235 1HD LYS 25 1HD LYS 25 5.127 -20.202 -14.819 236 2HD LYS 25 2HD LYS 25 6.661 -20.281 -13.936 237 1HE LYS 25 1HE LYS 25 5.716 -21.870 -12.326 238 2HE LYS 25 2HE LYS 25 4.112 -21.742 -13.067 239 1HZ LYS 25 1HZ LYS 25 4.983 -22.654 -15.063 240 2HZ LYS 25 2HZ LYS 25 6.497 -22.770 -14.418 241 3HZ LYS 25 3HZ LYS 25 5.264 -23.676 -13.803 242 H LEU 26 H LEU 26 1.539 -15.689 -12.526 243 HA LEU 26 HA LEU 26 -0.903 -17.228 -13.142 244 1HB LEU 26 1HB LEU 26 -0.224 -16.159 -10.523 245 2HB LEU 26 2HB LEU 26 -1.638 -15.314 -11.122 246 HG LEU 26 HG LEU 26 -1.596 -18.329 -11.363 247 1HD1 LEU 26 1HD1 LEU 26 -0.774 -18.013 -9.106 248 2HD1 LEU 26 2HD1 LEU 26 -2.053 -16.833 -8.757 249 3HD1 LEU 26 3HD1 LEU 26 -2.466 -18.534 -9.057 250 1HD2 LEU 26 1HD2 LEU 26 -3.770 -16.372 -10.509 251 2HD2 LEU 26 2HD2 LEU 26 -3.493 -16.826 -12.203 252 3HD2 LEU 26 3HD2 LEU 26 -3.987 -18.053 -11.022 253 HA PRO 27 HA PRO 27 -1.245 -13.450 -15.584 254 1HB PRO 27 1HB PRO 27 -3.784 -13.778 -16.591 255 2HB PRO 27 2HB PRO 27 -2.324 -14.563 -17.254 256 1HG PRO 27 1HG PRO 27 -4.346 -15.734 -15.334 257 2HG PRO 27 2HG PRO 27 -3.650 -16.492 -16.796 258 1HD PRO 27 1HD PRO 27 -2.707 -17.053 -14.327 259 2HD PRO 27 2HD PRO 27 -1.576 -16.899 -15.698 260 H VAL 28 H VAL 28 -3.358 -14.549 -12.924 261 HA VAL 28 HA VAL 28 -4.747 -12.144 -12.481 262 HB VAL 28 HB VAL 28 -3.586 -13.951 -10.397 263 1HG1 VAL 28 1HG1 VAL 28 -4.116 -11.821 -9.355 264 2HG1 VAL 28 2HG1 VAL 28 -5.655 -11.716 -10.238 265 3HG1 VAL 28 3HG1 VAL 28 -5.440 -12.916 -8.968 266 1HG2 VAL 28 1HG2 VAL 28 -6.472 -13.806 -11.379 267 2HG2 VAL 28 2HG2 VAL 28 -5.335 -15.088 -11.856 268 3HG2 VAL 28 3HG2 VAL 28 -5.814 -14.905 -10.161 269 H LEU 29 H LEU 29 -1.186 -12.777 -12.089 270 HA LEU 29 HA LEU 29 -0.859 -10.453 -10.393 271 1HB LEU 29 1HB LEU 29 0.889 -12.432 -11.832 272 2HB LEU 29 2HB LEU 29 1.561 -10.868 -11.455 273 HG LEU 29 HG LEU 29 1.930 -12.722 -9.800 274 1HD1 LEU 29 1HD1 LEU 29 2.313 -10.337 -9.241 275 2HD1 LEU 29 2HD1 LEU 29 0.624 -10.177 -8.717 276 3HD1 LEU 29 3HD1 LEU 29 1.728 -11.243 -7.837 277 1HD2 LEU 29 1HD2 LEU 29 -0.987 -12.242 -9.109 278 2HD2 LEU 29 2HD2 LEU 29 -0.266 -13.734 -9.741 279 3HD2 LEU 29 3HD2 LEU 29 0.164 -13.142 -8.123 280 H ALA 30 H ALA 30 -0.163 -11.133 -13.868 281 HA ALA 30 HA ALA 30 0.266 -8.355 -14.566 282 1HB ALA 30 1HB ALA 30 0.652 -10.092 -16.283 283 2HB ALA 30 2HB ALA 30 -1.067 -10.554 -16.228 284 3HB ALA 30 3HB ALA 30 -0.578 -8.962 -16.837 285 H LYS 31 H LYS 31 -2.872 -10.053 -14.292 286 HA LYS 31 HA LYS 31 -4.063 -7.541 -15.175 287 1HB LYS 31 1HB LYS 31 -5.078 -10.249 -14.892 288 2HB LYS 31 2HB LYS 31 -6.151 -9.076 -14.114 289 1HG LYS 31 1HG LYS 31 -6.821 -9.270 -16.432 290 2HG LYS 31 2HG LYS 31 -6.133 -7.671 -16.148 291 1HD LYS 31 1HD LYS 31 -3.893 -8.652 -17.078 292 2HD LYS 31 2HD LYS 31 -4.861 -10.038 -17.594 293 1HE LYS 31 1HE LYS 31 -6.306 -8.468 -18.930 294 2HE LYS 31 2HE LYS 31 -5.321 -7.104 -18.364 295 1HZ LYS 31 1HZ LYS 31 -3.439 -8.063 -19.434 296 2HZ LYS 31 2HZ LYS 31 -4.331 -9.342 -19.976 297 3HZ LYS 31 3HZ LYS 31 -4.654 -7.818 -20.512 298 H ILE 32 H ILE 32 -3.288 -8.855 -11.973 299 HA ILE 32 HA ILE 32 -4.894 -6.683 -10.764 300 HB ILE 32 HB ILE 32 -2.583 -8.333 -9.710 301 1HG1 ILE 32 1HG1 ILE 32 -4.872 -9.432 -10.067 302 2HG1 ILE 32 2HG1 ILE 32 -4.184 -9.519 -8.440 303 1HG2 ILE 32 1HG2 ILE 32 -2.438 -6.222 -8.559 304 2HG2 ILE 32 2HG2 ILE 32 -4.187 -6.126 -8.406 305 3HG2 ILE 32 3HG2 ILE 32 -3.285 -7.330 -7.464 306 1HD1 ILE 32 1HD1 ILE 32 -5.751 -7.748 -7.711 307 2HD1 ILE 32 2HD1 ILE 32 -6.398 -7.647 -9.378 308 3HD1 ILE 32 3HD1 ILE 32 -6.591 -9.123 -8.430 309 H LEU 33 H LEU 33 -1.526 -7.061 -11.911 310 HA LEU 33 HA LEU 33 -0.623 -4.813 -10.508 311 1HB LEU 33 1HB LEU 33 1.429 -5.371 -11.203 312 2HB LEU 33 2HB LEU 33 0.544 -6.875 -11.360 313 HG LEU 33 HG LEU 33 0.436 -6.399 -13.841 314 1HD1 LEU 33 1HD1 LEU 33 0.974 -4.102 -14.062 315 2HD1 LEU 33 2HD1 LEU 33 2.331 -4.244 -12.921 316 3HD1 LEU 33 3HD1 LEU 33 2.423 -4.980 -14.546 317 1HD2 LEU 33 1HD2 LEU 33 3.185 -6.588 -12.541 318 2HD2 LEU 33 2HD2 LEU 33 2.034 -7.934 -12.475 319 3HD2 LEU 33 3HD2 LEU 33 2.664 -7.377 -14.038 320 H GLU 34 H GLU 34 -1.747 -5.355 -13.810 321 HA GLU 34 HA GLU 34 -1.132 -2.958 -15.126 322 1HB GLU 34 1HB GLU 34 -2.241 -5.209 -15.925 323 2HB GLU 34 2HB GLU 34 -3.755 -4.511 -15.441 324 1HG GLU 34 1HG GLU 34 -3.346 -2.578 -17.004 325 2HG GLU 34 2HG GLU 34 -1.775 -3.269 -17.436 326 H ASP 35 H ASP 35 -3.978 -3.729 -13.191 327 HA ASP 35 HA ASP 35 -5.295 -1.258 -13.678 328 1HB ASP 35 1HB ASP 35 -6.189 -3.468 -12.593 329 2HB ASP 35 2HB ASP 35 -5.648 -2.755 -11.070 330 H GLU 36 H GLU 36 -3.181 -2.268 -10.988 331 HA GLU 36 HA GLU 36 -3.085 0.137 -9.514 332 1HB GLU 36 1HB GLU 36 -0.826 -1.851 -9.983 333 2HB GLU 36 2HB GLU 36 -0.936 -0.662 -8.680 334 1HG GLU 36 1HG GLU 36 -2.896 -2.976 -9.041 335 2HG GLU 36 2HG GLU 36 -1.498 -2.972 -7.968 336 H GLU 37 H GLU 37 -1.160 -0.812 -12.427 337 HA GLU 37 HA GLU 37 0.565 1.301 -12.442 338 1HB GLU 37 1HB GLU 37 0.090 -0.936 -13.924 339 2HB GLU 37 2HB GLU 37 -0.614 0.214 -15.047 340 1HG GLU 37 1HG GLU 37 2.138 0.517 -13.776 341 2HG GLU 37 2HG GLU 37 1.823 -0.476 -15.197 342 H LYS 38 H LYS 38 -2.794 1.232 -13.654 343 HA LYS 38 HA LYS 38 -2.648 3.943 -14.722 344 1HB LYS 38 1HB LYS 38 -4.249 1.940 -15.348 345 2HB LYS 38 2HB LYS 38 -5.153 2.426 -13.915 346 1HG LYS 38 1HG LYS 38 -6.222 3.604 -15.668 347 2HG LYS 38 2HG LYS 38 -5.140 4.825 -14.973 348 1HD LYS 38 1HD LYS 38 -3.415 3.993 -16.795 349 2HD LYS 38 2HD LYS 38 -4.803 3.209 -17.542 350 1HE LYS 38 1HE LYS 38 -4.438 6.191 -16.962 351 2HE LYS 38 2HE LYS 38 -4.373 5.410 -18.545 352 1HZ LYS 38 1HZ LYS 38 -6.684 4.806 -18.256 353 2HZ LYS 38 2HZ LYS 38 -6.730 5.578 -16.799 354 3HZ LYS 38 3HZ LYS 38 -6.475 6.439 -18.179 355 H HIS 39 H HIS 39 -3.857 2.532 -11.677 356 HA HIS 39 HA HIS 39 -4.897 4.938 -10.564 357 1HB HIS 39 1HB HIS 39 -3.567 2.508 -9.328 358 2HB HIS 39 2HB HIS 39 -4.250 3.787 -8.355 359 HD1 HIS 39 HD1 HIS 39 -7.027 4.290 -9.657 360 HD2 HIS 39 HD2 HIS 39 -5.225 0.493 -9.345 361 HE1 HIS 39 HE1 HIS 39 -8.908 2.538 -9.859 362 HE2 HIS 39 HE2 HIS 39 -7.776 0.251 -9.694 363 H ILE 40 H ILE 40 -1.596 3.709 -10.742 364 HA ILE 40 HA ILE 40 -0.381 5.765 -9.089 365 HB ILE 40 HB ILE 40 0.625 3.600 -10.969 366 1HG1 ILE 40 1HG1 ILE 40 1.302 4.035 -8.073 367 2HG1 ILE 40 2HG1 ILE 40 -0.244 3.324 -8.461 368 1HG2 ILE 40 1HG2 ILE 40 2.276 5.309 -11.291 369 2HG2 ILE 40 2HG2 ILE 40 2.266 5.742 -9.566 370 3HG2 ILE 40 3HG2 ILE 40 2.952 4.196 -10.107 371 1HD1 ILE 40 1HD1 ILE 40 0.879 1.554 -9.767 372 2HD1 ILE 40 2HD1 ILE 40 2.454 2.192 -9.274 373 3HD1 ILE 40 3HD1 ILE 40 1.339 1.550 -8.051 374 H GLU 41 H GLU 41 -0.663 5.117 -12.590 375 HA GLU 41 HA GLU 41 0.724 7.208 -13.631 376 1HB GLU 41 1HB GLU 41 -0.611 5.397 -14.884 377 2HB GLU 41 2HB GLU 41 -2.033 6.441 -14.670 378 1HG GLU 41 1HG GLU 41 -0.582 8.285 -15.798 379 2HG GLU 41 2HG GLU 41 0.493 6.957 -16.258 380 H TRP 42 H TRP 42 -2.615 7.442 -12.247 381 HA TRP 42 HA TRP 42 -3.190 10.045 -12.990 382 1HB TRP 42 1HB TRP 42 -4.541 8.348 -11.631 383 2HB TRP 42 2HB TRP 42 -3.700 8.938 -10.214 384 HD1 TRP 42 HD1 TRP 42 -5.974 10.172 -12.969 385 HE1 TRP 42 HE1 TRP 42 -7.198 12.430 -12.220 386 HE3 TRP 42 HE3 TRP 42 -3.595 10.844 -8.625 387 HZ2 TRP 42 HZ2 TRP 42 -7.097 14.169 -9.902 388 HZ3 TRP 42 HZ3 TRP 42 -4.040 12.838 -7.167 389 HH2 TRP 42 HH2 TRP 42 -5.844 14.438 -7.769 390 H LEU 43 H LEU 43 -1.107 8.977 -10.355 391 HA LEU 43 HA LEU 43 -0.638 11.639 -9.227 392 1HB LEU 43 1HB LEU 43 0.829 8.975 -8.791 393 2HB LEU 43 2HB LEU 43 1.162 10.488 -7.963 394 HG LEU 43 HG LEU 43 -1.521 10.319 -7.503 395 1HD1 LEU 43 1HD1 LEU 43 -1.580 8.061 -8.647 396 2HD1 LEU 43 2HD1 LEU 43 -0.499 7.445 -7.384 397 3HD1 LEU 43 3HD1 LEU 43 -2.126 8.025 -6.975 398 1HD2 LEU 43 1HD2 LEU 43 0.656 8.925 -5.917 399 2HD2 LEU 43 2HD2 LEU 43 0.313 10.662 -5.815 400 3HD2 LEU 43 3HD2 LEU 43 -0.887 9.483 -5.249 401 H GLU 44 H GLU 44 1.044 9.343 -11.373 402 HA GLU 44 HA GLU 44 3.360 11.090 -11.652 403 1HB GLU 44 1HB GLU 44 2.653 8.710 -13.396 404 2HB GLU 44 2HB GLU 44 4.227 9.467 -13.139 405 1HG GLU 44 1HG GLU 44 3.969 8.826 -10.657 406 2HG GLU 44 2HG GLU 44 2.616 7.811 -11.151 407 H THR 45 H THR 45 0.563 12.123 -12.544 408 HA THR 45 HA THR 45 1.644 13.395 -14.959 409 HB THR 45 HB THR 45 0.360 11.283 -15.548 410 HG1 THR 45 HG1 THR 45 -0.220 12.208 -17.417 411 1HG2 THR 45 1HG2 THR 45 -1.628 11.503 -14.158 412 2HG2 THR 45 2HG2 THR 45 -2.136 12.928 -15.103 413 3HG2 THR 45 3HG2 THR 45 -2.003 11.334 -15.867 414 H ILE 46 H ILE 46 -1.219 13.017 -12.965 415 HA ILE 46 HA ILE 46 -2.540 14.272 -11.830 416 HB ILE 46 HB ILE 46 -0.601 14.317 -10.431 417 1HG1 ILE 46 1HG1 ILE 46 -1.015 16.287 -9.028 418 2HG1 ILE 46 2HG1 ILE 46 -2.091 16.953 -10.256 419 1HG2 ILE 46 1HG2 ILE 46 1.143 15.313 -11.622 420 2HG2 ILE 46 2HG2 ILE 46 0.247 16.844 -11.844 421 3HG2 ILE 46 3HG2 ILE 46 0.858 16.353 -10.249 422 1HD1 ILE 46 1HD1 ILE 46 -3.563 14.936 -9.965 423 2HD1 ILE 46 2HD1 ILE 46 -2.371 14.256 -8.835 424 3HD1 ILE 46 3HD1 ILE 46 -3.261 15.729 -8.408 425 H LEU 47 H LEU 47 -3.721 16.378 -11.529 426 HA LEU 47 HA LEU 47 -4.115 17.610 -14.170 427 1HB LEU 47 1HB LEU 47 -5.440 17.859 -11.465 428 2HB LEU 47 2HB LEU 47 -5.695 19.095 -12.691 429 HG LEU 47 HG LEU 47 -7.463 17.382 -12.633 430 1HD1 LEU 47 1HD1 LEU 47 -7.016 18.754 -14.656 431 2HD1 LEU 47 2HD1 LEU 47 -6.001 17.450 -15.306 432 3HD1 LEU 47 3HD1 LEU 47 -7.724 17.173 -15.022 433 1HD2 LEU 47 1HD2 LEU 47 -5.421 15.466 -13.835 434 2HD2 LEU 47 2HD2 LEU 47 -6.061 15.373 -12.178 435 3HD2 LEU 47 3HD2 LEU 47 -7.143 15.169 -13.568 436 H GLY 48 H GLY 48 -1.909 18.215 -14.350 437 1HA GLY 48 1HA GLY 48 -1.360 20.975 -13.787 438 2HA GLY 48 2HA GLY 48 -0.456 19.911 -12.684 439 1HN NH2 49 1HN NH2 49 0.170 17.695 -14.202 440 2HN NH2 49 2HN NH2 49 1.157 18.161 -15.613 441 1H ACE 0 H1 ACE 0 7.317 -16.786 1.876 442 2H ACE 0 H2 ACE 0 5.695 -16.124 1.586 443 3H ACE 0 H3 ACE 0 6.598 -16.869 0.250 444 H ASP 1 H ASP 1 8.934 -15.845 0.069 445 HA ASP 1 HA ASP 1 9.614 -13.257 0.741 446 1HB ASP 1 1HB ASP 1 11.169 -14.717 -0.389 447 2HB ASP 1 2HB ASP 1 10.168 -14.734 -1.856 448 H TYR 2 H TYR 2 7.876 -14.271 -2.236 449 HA TYR 2 HA TYR 2 7.427 -11.789 -3.343 450 1HB TYR 2 1HB TYR 2 5.434 -14.076 -3.424 451 2HB TYR 2 2HB TYR 2 5.828 -12.905 -4.672 452 HD1 TYR 2 HD1 TYR 2 6.089 -16.242 -4.045 453 HD2 TYR 2 HD2 TYR 2 8.680 -12.931 -5.025 454 HE1 TYR 2 HE1 TYR 2 7.973 -17.808 -4.392 455 HE2 TYR 2 HE2 TYR 2 10.562 -14.489 -5.310 456 HH TYR 2 HH TYR 2 11.240 -16.702 -5.280 457 H LEU 3 H LEU 3 5.403 -13.545 -0.966 458 HA LEU 3 HA LEU 3 3.360 -11.552 -0.991 459 1HB LEU 3 1HB LEU 3 4.055 -13.564 1.209 460 2HB LEU 3 2HB LEU 3 2.537 -12.676 1.093 461 HG LEU 3 HG LEU 3 3.506 -14.709 -0.974 462 1HD1 LEU 3 1HD1 LEU 3 3.048 -15.761 1.210 463 2HD1 LEU 3 2HD1 LEU 3 1.450 -14.986 1.257 464 3HD1 LEU 3 3HD1 LEU 3 1.816 -16.202 0.016 465 1HD2 LEU 3 1HD2 LEU 3 0.811 -13.315 -0.593 466 2HD2 LEU 3 2HD2 LEU 3 1.935 -13.069 -1.949 467 3HD2 LEU 3 3HD2 LEU 3 1.133 -14.630 -1.738 468 H ARG 4 H ARG 4 6.089 -12.052 1.285 469 HA ARG 4 HA ARG 4 5.319 -9.788 2.860 470 1HB ARG 4 1HB ARG 4 7.519 -9.797 3.818 471 2HB ARG 4 2HB ARG 4 6.912 -11.460 3.721 472 1HG ARG 4 1HG ARG 4 8.285 -11.918 1.813 473 2HG ARG 4 2HG ARG 4 8.756 -10.223 1.625 474 1HD ARG 4 1HD ARG 4 10.615 -11.061 2.549 475 2HD ARG 4 2HD ARG 4 9.796 -10.460 4.006 476 HE ARG 4 HE ARG 4 8.986 -13.131 3.672 477 1HH1 ARG 4 1HH2 ARG 4 11.987 -11.368 4.181 478 2HH1 ARG 4 2HH2 ARG 4 12.898 -12.734 4.753 479 1HH2 ARG 4 1HH1 ARG 4 10.151 -14.973 4.395 480 2HH2 ARG 4 2HH1 ARG 4 11.818 -14.842 4.886 481 H GLU 5 H GLU 5 6.464 -9.857 -0.373 482 HA GLU 5 HA GLU 5 7.701 -7.131 -0.176 483 1HB GLU 5 1HB GLU 5 7.553 -9.213 -2.380 484 2HB GLU 5 2HB GLU 5 8.091 -7.551 -2.658 485 1HG GLU 5 1HG GLU 5 9.947 -7.834 -1.123 486 2HG GLU 5 2HG GLU 5 9.369 -9.422 -0.615 487 H LEU 6 H LEU 6 5.414 -8.842 -2.314 488 HA LEU 6 HA LEU 6 4.334 -6.455 -3.391 489 1HB LEU 6 1HB LEU 6 3.315 -9.320 -3.406 490 2HB LEU 6 2HB LEU 6 2.537 -7.973 -4.239 491 HG LEU 6 HG LEU 6 4.606 -7.687 -5.692 492 1HD1 LEU 6 1HD1 LEU 6 6.230 -8.819 -4.161 493 2HD1 LEU 6 2HD1 LEU 6 5.526 -10.357 -4.731 494 3HD1 LEU 6 3HD1 LEU 6 6.254 -9.170 -5.853 495 1HD2 LEU 6 1HD2 LEU 6 3.214 -10.386 -5.713 496 2HD2 LEU 6 2HD2 LEU 6 2.520 -8.875 -6.335 497 3HD2 LEU 6 3HD2 LEU 6 3.948 -9.552 -7.094 498 H LEU 7 H LEU 7 3.628 -7.947 -0.313 499 HA LEU 7 HA LEU 7 0.960 -6.813 -0.285 500 1HB LEU 7 1HB LEU 7 1.380 -9.185 0.524 501 2HB LEU 7 2HB LEU 7 2.295 -8.473 1.863 502 HG LEU 7 HG LEU 7 0.127 -7.068 2.311 503 1HD1 LEU 7 1HD1 LEU 7 -0.938 -7.776 0.097 504 2HD1 LEU 7 2HD1 LEU 7 -1.096 -9.399 0.773 505 3HD1 LEU 7 3HD1 LEU 7 -1.942 -8.017 1.517 506 1HD2 LEU 7 1HD2 LEU 7 0.126 -10.068 2.822 507 2HD2 LEU 7 2HD2 LEU 7 1.012 -8.860 3.778 508 3HD2 LEU 7 3HD2 LEU 7 -0.752 -8.821 3.743 509 H LYS 8 H LYS 8 3.928 -6.767 1.746 510 HA LYS 8 HA LYS 8 2.929 -4.793 3.484 511 1HB LYS 8 1HB LYS 8 5.676 -5.890 2.925 512 2HB LYS 8 2HB LYS 8 5.465 -4.546 4.042 513 1HG LYS 8 1HG LYS 8 4.239 -5.733 5.580 514 2HG LYS 8 2HG LYS 8 3.736 -6.990 4.432 515 1HD LYS 8 1HD LYS 8 5.785 -8.098 4.493 516 2HD LYS 8 2HD LYS 8 6.683 -6.686 5.040 517 1HE LYS 8 1HE LYS 8 6.386 -8.490 6.789 518 2HE LYS 8 2HE LYS 8 5.868 -6.871 7.279 519 1HZ LYS 8 1HZ LYS 8 3.625 -7.495 6.840 520 2HZ LYS 8 2HZ LYS 8 4.072 -8.994 6.331 521 3HZ LYS 8 3HZ LYS 8 4.297 -8.553 7.901 522 H LEU 9 H LEU 9 4.992 -4.762 0.565 523 HA LEU 9 HA LEU 9 5.679 -1.955 0.837 524 1HB LEU 9 1HB LEU 9 5.712 -3.681 -1.658 525 2HB LEU 9 2HB LEU 9 6.540 -2.137 -1.421 526 HG LEU 9 HG LEU 9 7.166 -4.640 0.214 527 1HD1 LEU 9 1HD1 LEU 9 7.726 -4.903 -2.196 528 2HD1 LEU 9 2HD1 LEU 9 8.699 -3.422 -2.112 529 3HD1 LEU 9 3HD1 LEU 9 9.160 -4.845 -1.158 530 1HD2 LEU 9 1HD2 LEU 9 8.570 -1.950 0.018 531 2HD2 LEU 9 2HD2 LEU 9 7.749 -2.628 1.445 532 3HD2 LEU 9 3HD2 LEU 9 9.210 -3.397 0.825 533 H GLU 10 H GLU 10 3.017 -3.737 -0.654 534 HA GLU 10 HA GLU 10 1.722 -1.511 -1.926 535 1HB GLU 10 1HB GLU 10 0.952 -4.282 -1.039 536 2HB GLU 10 2HB GLU 10 -0.266 -3.099 -1.378 537 1HG GLU 10 1HG GLU 10 1.889 -3.880 -3.383 538 2HG GLU 10 2HG GLU 10 0.325 -4.675 -3.266 539 H LEU 11 H LEU 11 1.326 -3.033 1.305 540 HA LEU 11 HA LEU 11 -0.677 -1.323 2.263 541 1HB LEU 11 1HB LEU 11 1.229 -3.206 3.432 542 2HB LEU 11 2HB LEU 11 1.145 -1.761 4.430 543 HG LEU 11 HG LEU 11 -1.381 -1.982 4.420 544 1HD1 LEU 11 1HD1 LEU 11 -1.608 -3.453 2.418 545 2HD1 LEU 11 2HD1 LEU 11 -0.718 -4.736 3.260 546 3HD1 LEU 11 3HD1 LEU 11 -2.308 -4.214 3.855 547 1HD2 LEU 11 1HD2 LEU 11 0.247 -4.284 5.582 548 2HD2 LEU 11 2HD2 LEU 11 0.007 -2.688 6.326 549 3HD2 LEU 11 3HD2 LEU 11 -1.373 -3.780 6.114 550 H GLN 12 H GLN 12 2.860 -0.794 2.348 551 HA GLN 12 HA GLN 12 2.833 1.705 3.643 552 1HB GLN 12 1HB GLN 12 4.727 0.435 1.658 553 2HB GLN 12 2HB GLN 12 4.878 2.152 2.011 554 1HG GLN 12 1HG GLN 12 6.348 1.121 3.507 555 2HG GLN 12 2HG GLN 12 4.961 1.609 4.476 556 1HE2 GLN 12 2HE2 GLN 12 6.633 -1.149 2.958 557 2HE2 GLN 12 1HE2 GLN 12 5.848 -2.363 3.955 558 H LEU 13 H LEU 13 1.738 1.045 0.346 559 HA LEU 13 HA LEU 13 1.930 3.790 -0.555 560 1HB LEU 13 1HB LEU 13 0.046 1.638 -1.615 561 2HB LEU 13 2HB LEU 13 0.507 3.175 -2.326 562 HG LEU 13 HG LEU 13 2.106 0.657 -2.057 563 1HD1 LEU 13 1HD1 LEU 13 0.630 0.881 -3.995 564 2HD1 LEU 13 2HD1 LEU 13 1.258 2.490 -4.342 565 3HD1 LEU 13 3HD1 LEU 13 2.295 1.084 -4.573 566 1HD2 LEU 13 1HD2 LEU 13 3.194 3.424 -2.599 567 2HD2 LEU 13 2HD2 LEU 13 3.755 2.238 -1.412 568 3HD2 LEU 13 3HD2 LEU 13 4.013 1.944 -3.137 569 H ILE 14 H ILE 14 -0.733 1.640 0.565 570 HA ILE 14 HA ILE 14 -2.781 3.672 0.546 571 HB ILE 14 HB ILE 14 -2.417 0.990 1.936 572 1HG1 ILE 14 1HG1 ILE 14 -4.107 0.210 0.424 573 2HG1 ILE 14 2HG1 ILE 14 -4.479 1.836 -0.140 574 1HG2 ILE 14 1HG2 ILE 14 -3.869 2.236 3.455 575 2HG2 ILE 14 2HG2 ILE 14 -4.862 2.799 2.092 576 3HG2 ILE 14 3HG2 ILE 14 -4.838 1.084 2.530 577 1HD1 ILE 14 1HD1 ILE 14 -2.401 1.968 -1.369 578 2HD1 ILE 14 2HD1 ILE 14 -1.875 0.405 -0.683 579 3HD1 ILE 14 3HD1 ILE 14 -3.264 0.496 -1.784 580 H LYS 15 H LYS 15 -0.374 2.757 2.914 581 HA LYS 15 HA LYS 15 -1.279 4.430 5.058 582 1HB LYS 15 1HB LYS 15 0.699 2.490 4.762 583 2HB LYS 15 2HB LYS 15 1.652 3.959 4.769 584 1HG LYS 15 1HG LYS 15 1.568 3.315 7.006 585 2HG LYS 15 2HG LYS 15 0.332 4.581 6.923 586 1HD LYS 15 1HD LYS 15 -1.421 2.757 6.654 587 2HD LYS 15 2HD LYS 15 -0.130 1.549 6.757 588 1HE LYS 15 1HE LYS 15 0.449 2.392 9.048 589 2HE LYS 15 2HE LYS 15 -0.908 3.532 8.948 590 1HZ LYS 15 1HZ LYS 15 -2.370 1.644 8.714 591 2HZ LYS 15 2HZ LYS 15 -1.099 0.602 8.824 592 3HZ LYS 15 3HZ LYS 15 -1.502 1.545 10.112 593 H GLN 16 H GLN 16 1.200 4.869 2.443 594 HA GLN 16 HA GLN 16 1.746 7.579 3.325 595 1HB GLN 16 1HB GLN 16 2.593 5.890 0.984 596 2HB GLN 16 2HB GLN 16 2.730 7.640 0.863 597 1HG GLN 16 1HG GLN 16 4.818 6.766 1.682 598 2HG GLN 16 2HG GLN 16 4.058 7.784 2.901 599 1HE2 GLN 16 2HE2 GLN 16 5.435 4.694 2.268 600 2HE2 GLN 16 1HE2 GLN 16 5.005 3.973 3.815 601 H TYR 17 H TYR 17 -0.554 6.235 1.066 602 HA TYR 17 HA TYR 17 -1.458 8.648 -0.184 603 1HB TYR 17 1HB TYR 17 -2.632 5.885 0.335 604 2HB TYR 17 2HB TYR 17 -3.619 7.157 -0.305 605 HD1 TYR 17 HD1 TYR 17 -3.111 8.272 -2.523 606 HD2 TYR 17 HD2 TYR 17 -2.003 4.302 -1.398 607 HE1 TYR 17 HE1 TYR 17 -2.655 7.715 -4.853 608 HE2 TYR 17 HE2 TYR 17 -1.313 3.822 -3.643 609 HH TYR 17 HH TYR 17 -1.487 4.470 -5.809 610 H ARG 18 H ARG 18 -2.155 7.012 2.907 611 HA ARG 18 HA ARG 18 -4.395 8.742 3.568 612 1HB ARG 18 1HB ARG 18 -2.847 6.685 5.146 613 2HB ARG 18 2HB ARG 18 -3.815 7.919 5.956 614 1HG ARG 18 1HG ARG 18 -5.774 7.252 4.483 615 2HG ARG 18 2HG ARG 18 -4.820 5.842 3.979 616 1HD ARG 18 1HD ARG 18 -4.723 5.061 6.305 617 2HD ARG 18 2HD ARG 18 -5.430 6.594 6.873 618 HE ARG 18 HE ARG 18 -7.115 5.199 4.968 619 1HH1 ARG 18 1HH2 ARG 18 -6.215 5.365 8.374 620 2HH1 ARG 18 2HH2 ARG 18 -7.772 4.860 8.969 621 1HH2 ARG 18 1HH1 ARG 18 -9.156 4.533 5.711 622 2HH2 ARG 18 2HH1 ARG 18 -9.483 4.356 7.410 623 H GLU 19 H GLU 19 -1.009 8.528 4.431 624 HA GLU 19 HA GLU 19 -0.752 10.829 6.037 625 1HB GLU 19 1HB GLU 19 1.021 9.065 5.489 626 2HB GLU 19 2HB GLU 19 1.290 9.956 3.982 627 1HG GLU 19 1HG GLU 19 1.793 12.007 5.330 628 2HG GLU 19 2HG GLU 19 1.638 11.031 6.802 629 H ALA 20 H ALA 20 -0.672 10.505 2.443 630 HA ALA 20 HA ALA 20 -0.266 13.391 2.160 631 1HB ALA 20 1HB ALA 20 0.059 11.126 0.495 632 2HB ALA 20 2HB ALA 20 -1.025 12.262 -0.329 633 3HB ALA 20 3HB ALA 20 0.582 12.775 0.236 634 H LEU 21 H LEU 21 -3.062 11.311 2.369 635 HA LEU 21 HA LEU 21 -4.981 12.711 1.022 636 1HB LEU 21 1HB LEU 21 -5.011 10.604 2.770 637 2HB LEU 21 2HB LEU 21 -5.784 11.807 3.776 638 HG LEU 21 HG LEU 21 -7.528 10.666 2.757 639 1HD1 LEU 21 1HD1 LEU 21 -7.843 13.116 2.383 640 2HD1 LEU 21 2HD1 LEU 21 -7.182 12.929 0.739 641 3HD1 LEU 21 3HD1 LEU 21 -8.669 12.096 1.196 642 1HD2 LEU 21 1HD2 LEU 21 -5.823 10.625 0.255 643 2HD2 LEU 21 2HD2 LEU 21 -6.322 9.266 1.271 644 3HD2 LEU 21 3HD2 LEU 21 -7.528 10.118 0.296 645 H GLU 22 H GLU 22 -3.636 13.449 4.218 646 HA GLU 22 HA GLU 22 -5.592 15.530 4.739 647 1HB GLU 22 1HB GLU 22 -4.162 16.063 6.725 648 2HB GLU 22 2HB GLU 22 -4.942 14.475 6.702 649 1HG GLU 22 1HG GLU 22 -2.893 13.371 6.117 650 2HG GLU 22 2HG GLU 22 -2.061 14.923 5.850 651 H TYR 23 H TYR 23 -2.309 15.173 3.562 652 HA TYR 23 HA TYR 23 -1.479 17.878 3.639 653 1HB TYR 23 1HB TYR 23 -0.346 15.416 2.991 654 2HB TYR 23 2HB TYR 23 -0.394 16.221 1.428 655 HD1 TYR 23 HD1 TYR 23 1.362 15.784 4.513 656 HD2 TYR 23 HD2 TYR 23 0.637 18.675 1.391 657 HE1 TYR 23 HE1 TYR 23 3.406 17.013 5.170 658 HE2 TYR 23 HE2 TYR 23 2.674 19.907 2.070 659 HH TYR 23 HH TYR 23 4.687 19.706 3.301 660 H VAL 24 H VAL 24 -3.345 16.007 1.286 661 HA VAL 24 HA VAL 24 -3.442 18.403 -0.542 662 HB VAL 24 HB VAL 24 -4.145 15.513 -1.106 663 1HG1 VAL 24 1HG1 VAL 24 -5.377 17.107 -2.586 664 2HG1 VAL 24 2HG1 VAL 24 -3.852 17.924 -2.965 665 3HG1 VAL 24 3HG1 VAL 24 -4.119 16.247 -3.479 666 1HG2 VAL 24 1HG2 VAL 24 -1.700 17.228 -1.749 667 2HG2 VAL 24 2HG2 VAL 24 -1.736 15.734 -0.782 668 3HG2 VAL 24 3HG2 VAL 24 -2.083 15.684 -2.525 669 H LYS 25 H LYS 25 -5.654 16.149 1.094 670 HA LYS 25 HA LYS 25 -7.873 16.104 1.400 671 1HB LYS 25 1HB LYS 25 -7.684 19.119 1.052 672 2HB LYS 25 2HB LYS 25 -9.095 18.251 1.655 673 1HG LYS 25 1HG LYS 25 -7.935 17.439 3.576 674 2HG LYS 25 2HG LYS 25 -6.364 17.982 2.967 675 1HD LYS 25 1HD LYS 25 -6.899 20.279 3.161 676 2HD LYS 25 2HD LYS 25 -8.611 19.969 3.487 677 1HE LYS 25 1HE LYS 25 -6.331 19.046 5.307 678 2HE LYS 25 2HE LYS 25 -7.204 20.571 5.521 679 1HZ LYS 25 1HZ LYS 25 -9.226 19.338 5.761 680 2HZ LYS 25 2HZ LYS 25 -8.431 17.908 5.581 681 3HZ LYS 25 3HZ LYS 25 -8.120 18.863 6.885 682 H LEU 26 H LEU 26 -7.144 15.255 -1.057 683 HA LEU 26 HA LEU 26 -9.407 16.155 -2.796 684 1HB LEU 26 1HB LEU 26 -6.660 15.403 -3.411 685 2HB LEU 26 2HB LEU 26 -7.788 14.363 -4.262 686 HG LEU 26 HG LEU 26 -8.253 17.342 -4.351 687 1HD1 LEU 26 1HD1 LEU 26 -5.928 17.179 -4.988 688 2HD1 LEU 26 2HD1 LEU 26 -6.245 15.756 -5.997 689 3HD1 LEU 26 3HD1 LEU 26 -6.881 17.346 -6.469 690 1HD2 LEU 26 1HD2 LEU 26 -8.663 15.100 -6.397 691 2HD2 LEU 26 2HD2 LEU 26 -9.928 15.648 -5.281 692 3HD2 LEU 26 3HD2 LEU 26 -9.275 16.756 -6.500 693 HA PRO 27 HA PRO 27 -11.007 12.244 -1.115 694 1HB PRO 27 1HB PRO 27 -13.356 12.063 -2.545 695 2HB PRO 27 2HB PRO 27 -13.131 13.095 -1.108 696 1HG PRO 27 1HG PRO 27 -12.921 13.912 -4.013 697 2HG PRO 27 2HG PRO 27 -13.815 14.738 -2.706 698 1HD PRO 27 1HD PRO 27 -11.374 15.572 -3.462 699 2HD PRO 27 2HD PRO 27 -11.786 15.548 -1.725 700 H VAL 28 H VAL 28 -10.631 13.023 -4.570 701 HA VAL 28 HA VAL 28 -10.768 10.562 -5.810 702 HB VAL 28 HB VAL 28 -8.727 12.724 -6.182 703 1HG1 VAL 28 1HG1 VAL 28 -7.770 10.756 -7.173 704 2HG1 VAL 28 2HG1 VAL 28 -9.325 10.292 -7.907 705 3HG1 VAL 28 3HG1 VAL 28 -8.436 11.709 -8.495 706 1HG2 VAL 28 1HG2 VAL 28 -11.204 12.055 -7.830 707 2HG2 VAL 28 2HG2 VAL 28 -11.058 13.447 -6.725 708 3HG2 VAL 28 3HG2 VAL 28 -10.046 13.346 -8.173 709 H LEU 29 H LEU 29 -8.165 11.683 -3.549 710 HA LEU 29 HA LEU 29 -6.287 9.682 -4.266 711 1HB LEU 29 1HB LEU 29 -6.730 11.270 -1.698 712 2HB LEU 29 2HB LEU 29 -5.300 10.351 -2.148 713 HG LEU 29 HG LEU 29 -6.325 12.931 -3.339 714 1HD1 LEU 29 1HD1 LEU 29 -4.941 13.110 -1.333 715 2HD1 LEU 29 2HD1 LEU 29 -3.678 12.114 -2.084 716 3HD1 LEU 29 3HD1 LEU 29 -4.055 13.719 -2.743 717 1HD2 LEU 29 1HD2 LEU 29 -4.172 11.131 -4.503 718 2HD2 LEU 29 2HD2 LEU 29 -5.681 11.653 -5.291 719 3HD2 LEU 29 3HD2 LEU 29 -4.431 12.842 -4.925 720 H ALA 30 H ALA 30 -8.820 9.898 -1.724 721 HA ALA 30 HA ALA 30 -8.284 7.242 -0.600 722 1HB ALA 30 1HB ALA 30 -9.545 8.982 0.663 723 2HB ALA 30 2HB ALA 30 -10.820 8.954 -0.577 724 3HB ALA 30 3HB ALA 30 -10.504 7.514 0.409 725 H LYS 31 H LYS 31 -10.309 8.487 -3.311 726 HA LYS 31 HA LYS 31 -11.617 5.908 -3.488 727 1HB LYS 31 1HB LYS 31 -12.363 8.237 -4.417 728 2HB LYS 31 2HB LYS 31 -11.351 7.852 -5.822 729 1HG LYS 31 1HG LYS 31 -12.665 5.768 -6.167 730 2HG LYS 31 2HG LYS 31 -13.614 6.124 -4.709 731 1HD LYS 31 1HD LYS 31 -14.321 8.314 -5.767 732 2HD LYS 31 2HD LYS 31 -13.536 7.794 -7.269 733 1HE LYS 31 1HE LYS 31 -15.820 6.358 -5.813 734 2HE LYS 31 2HE LYS 31 -15.982 7.337 -7.280 735 1HZ LYS 31 1HZ LYS 31 -14.559 5.770 -8.403 736 2HZ LYS 31 2HZ LYS 31 -14.429 4.854 -7.040 737 3HZ LYS 31 3HZ LYS 31 -15.887 5.019 -7.782 738 H ILE 32 H ILE 32 -8.827 7.253 -5.145 739 HA ILE 32 HA ILE 32 -8.339 5.004 -6.895 740 HB ILE 32 HB ILE 32 -6.426 7.087 -5.726 741 1HG1 ILE 32 1HG1 ILE 32 -7.595 6.890 -8.547 742 2HG1 ILE 32 2HG1 ILE 32 -8.253 7.946 -7.303 743 1HG2 ILE 32 1HG2 ILE 32 -5.282 4.947 -6.458 744 2HG2 ILE 32 2HG2 ILE 32 -6.063 5.145 -8.033 745 3HG2 ILE 32 3HG2 ILE 32 -4.846 6.303 -7.480 746 1HD1 ILE 32 1HD1 ILE 32 -6.028 9.091 -7.119 747 2HD1 ILE 32 2HD1 ILE 32 -5.450 8.126 -8.493 748 3HD1 ILE 32 3HD1 ILE 32 -6.791 9.242 -8.717 749 H LEU 33 H LEU 33 -7.177 6.010 -3.603 750 HA LEU 33 HA LEU 33 -5.405 3.912 -3.564 751 1HB LEU 33 1HB LEU 33 -4.759 4.550 -1.405 752 2HB LEU 33 2HB LEU 33 -5.356 6.014 -2.191 753 HG LEU 33 HG LEU 33 -7.544 5.460 -1.076 754 1HD1 LEU 33 1HD1 LEU 33 -7.801 3.650 0.131 755 2HD1 LEU 33 2HD1 LEU 33 -6.097 3.228 -0.076 756 3HD1 LEU 33 3HD1 LEU 33 -6.597 4.256 1.279 757 1HD2 LEU 33 1HD2 LEU 33 -5.170 6.142 0.677 758 2HD2 LEU 33 2HD2 LEU 33 -5.919 7.289 -0.475 759 3HD2 LEU 33 3HD2 LEU 33 -6.830 6.703 0.934 760 H GLU 34 H GLU 34 -8.764 4.191 -2.506 761 HA GLU 34 HA GLU 34 -9.111 1.854 -0.972 762 1HB GLU 34 1HB GLU 34 -10.756 3.818 -1.401 763 2HB GLU 34 2HB GLU 34 -11.167 3.040 -2.906 764 1HG GLU 34 1HG GLU 34 -11.929 1.037 -1.654 765 2HG GLU 34 2HG GLU 34 -11.325 1.731 -0.140 766 H ASP 35 H ASP 35 -9.450 2.494 -4.410 767 HA ASP 35 HA ASP 35 -10.071 -0.086 -5.349 768 1HB ASP 35 1HB ASP 35 -9.620 2.336 -6.557 769 2HB ASP 35 2HB ASP 35 -8.145 1.493 -7.001 770 H GLU 36 H GLU 36 -6.839 1.436 -4.902 771 HA GLU 36 HA GLU 36 -5.351 -0.876 -5.533 772 1HB GLU 36 1HB GLU 36 -4.505 1.344 -3.630 773 2HB GLU 36 2HB GLU 36 -3.484 0.126 -4.396 774 1HG GLU 36 1HG GLU 36 -4.762 1.148 -6.610 775 2HG GLU 36 2HG GLU 36 -4.710 2.590 -5.595 776 H GLU 37 H GLU 37 -6.456 0.163 -2.232 777 HA GLU 37 HA GLU 37 -5.535 -1.889 -0.695 778 1HB GLU 37 1HB GLU 37 -7.205 0.235 -0.405 779 2HB GLU 37 2HB GLU 37 -8.399 -1.059 -0.313 780 1HG GLU 37 1HG GLU 37 -5.827 -1.022 1.322 781 2HG GLU 37 2HG GLU 37 -7.263 -0.107 1.756 782 H LYS 38 H LYS 38 -8.411 -2.074 -2.815 783 HA LYS 38 HA LYS 38 -9.032 -4.821 -2.134 784 1HB LYS 38 1HB LYS 38 -10.518 -3.055 -3.223 785 2HB LYS 38 2HB LYS 38 -9.575 -3.281 -4.701 786 1HG LYS 38 1HG LYS 38 -10.161 -5.758 -4.629 787 2HG LYS 38 2HG LYS 38 -11.226 -5.415 -3.254 788 1HD LYS 38 1HD LYS 38 -12.565 -3.888 -4.683 789 2HD LYS 38 2HD LYS 38 -11.435 -4.147 -6.031 790 1HE LYS 38 1HE LYS 38 -11.972 -6.590 -6.008 791 2HE LYS 38 2HE LYS 38 -13.133 -6.317 -4.695 792 1HZ LYS 38 1HZ LYS 38 -14.362 -4.896 -6.176 793 2HZ LYS 38 2HZ LYS 38 -13.273 -5.151 -7.389 794 3HZ LYS 38 3HZ LYS 38 -14.188 -6.401 -6.826 795 H HIS 39 H HIS 39 -6.987 -3.428 -4.733 796 HA HIS 39 HA HIS 39 -6.444 -5.958 -5.978 797 1HB HIS 39 1HB HIS 39 -4.956 -3.308 -5.875 798 2HB HIS 39 2HB HIS 39 -4.287 -4.707 -6.685 799 HD1 HIS 39 HD1 HIS 39 -6.176 -5.891 -8.484 800 HD2 HIS 39 HD2 HIS 39 -6.662 -1.868 -7.353 801 HE1 HIS 39 HE1 HIS 39 -7.788 -4.893 -10.162 802 HE2 HIS 39 HE2 HIS 39 -8.059 -2.384 -9.478 803 H ILE 40 H ILE 40 -5.133 -4.397 -3.147 804 HA ILE 40 HA ILE 40 -2.871 -6.215 -2.839 805 HB ILE 40 HB ILE 40 -4.074 -4.274 -0.815 806 1HG1 ILE 40 1HG1 ILE 40 -1.728 -3.845 -2.660 807 2HG1 ILE 40 2HG1 ILE 40 -3.272 -3.276 -3.122 808 1HG2 ILE 40 1HG2 ILE 40 -2.509 -5.971 0.156 809 2HG2 ILE 40 2HG2 ILE 40 -1.303 -5.584 -1.085 810 3HG2 ILE 40 3HG2 ILE 40 -1.727 -4.398 0.149 811 1HD1 ILE 40 1HD1 ILE 40 -3.534 -1.782 -1.316 812 2HD1 ILE 40 2HD1 ILE 40 -2.098 -2.344 -0.478 813 3HD1 ILE 40 3HD1 ILE 40 -1.956 -1.498 -2.033 814 H GLU 41 H GLU 41 -6.143 -5.760 -1.537 815 HA GLU 41 HA GLU 41 -6.179 -7.684 0.434 816 1HB GLU 41 1HB GLU 41 -7.987 -6.065 -0.085 817 2HB GLU 41 2HB GLU 41 -8.458 -7.033 -1.492 818 1HG GLU 41 1HG GLU 41 -8.308 -8.575 1.025 819 2HG GLU 41 2HG GLU 41 -9.488 -7.256 1.030 820 H TRP 42 H TRP 42 -6.623 -8.254 -3.134 821 HA TRP 42 HA TRP 42 -7.206 -10.904 -2.916 822 1HB TRP 42 1HB TRP 42 -7.032 -9.593 -5.015 823 2HB TRP 42 2HB TRP 42 -5.289 -9.717 -4.955 824 HD1 TRP 42 HD1 TRP 42 -8.050 -12.249 -4.477 825 HE1 TRP 42 HE1 TRP 42 -7.296 -14.593 -5.501 826 HE3 TRP 42 HE3 TRP 42 -3.563 -10.872 -6.182 827 HZ2 TRP 42 HZ2 TRP 42 -5.056 -15.548 -7.056 828 HZ3 TRP 42 HZ3 TRP 42 -1.993 -12.521 -7.195 829 HH2 TRP 42 HH2 TRP 42 -2.783 -14.812 -7.779 830 H LEU 43 H LEU 43 -4.050 -9.435 -2.664 831 HA LEU 43 HA LEU 43 -2.521 -11.942 -2.687 832 1HB LEU 43 1HB LEU 43 -1.730 -9.198 -1.604 833 2HB LEU 43 2HB LEU 43 -0.701 -10.625 -1.644 834 HG LEU 43 HG LEU 43 -1.555 -10.511 -4.277 835 1HD1 LEU 43 1HD1 LEU 43 -2.613 -8.294 -3.877 836 2HD1 LEU 43 2HD1 LEU 43 -1.038 -7.641 -3.370 837 3HD1 LEU 43 3HD1 LEU 43 -1.280 -8.195 -5.037 838 1HD2 LEU 43 1HD2 LEU 43 0.882 -9.191 -3.011 839 2HD2 LEU 43 2HD2 LEU 43 0.766 -10.890 -3.525 840 3HD2 LEU 43 3HD2 LEU 43 0.716 -9.595 -4.736 841 H GLU 44 H GLU 44 -4.174 -9.994 -0.202 842 HA GLU 44 HA GLU 44 -3.423 -11.909 1.919 843 1HB GLU 44 1HB GLU 44 -4.909 -9.311 1.717 844 2HB GLU 44 2HB GLU 44 -5.383 -10.358 3.043 845 1HG GLU 44 1HG GLU 44 -2.455 -9.921 2.602 846 2HG GLU 44 2HG GLU 44 -3.425 -8.634 3.349 847 H THR 45 H THR 45 -4.921 -12.967 -0.519 848 HA THR 45 HA THR 45 -6.734 -14.543 1.219 849 HB THR 45 HB THR 45 -7.816 -12.362 0.195 850 HG1 THR 45 HG1 THR 45 -8.924 -13.861 1.433 851 1HG2 THR 45 1HG2 THR 45 -7.316 -12.898 -2.134 852 2HG2 THR 45 2HG2 THR 45 -8.494 -14.216 -2.057 853 3HG2 THR 45 3HG2 THR 45 -8.993 -12.521 -1.777 854 H ILE 46 H ILE 46 -5.529 -13.983 -1.946 855 HA ILE 46 HA ILE 46 -5.078 -15.286 -3.732 856 HB ILE 46 HB ILE 46 -3.109 -15.163 -2.450 857 1HG1 ILE 46 1HG1 ILE 46 -1.775 -16.948 -3.249 858 2HG1 ILE 46 2HG1 ILE 46 -3.149 -18.039 -3.444 859 1HG2 ILE 46 1HG2 ILE 46 -3.705 -16.032 -0.299 860 2HG2 ILE 46 2HG2 ILE 46 -3.992 -17.658 -0.964 861 3HG2 ILE 46 3HG2 ILE 46 -2.353 -16.975 -0.911 862 1HD1 ILE 46 1HD1 ILE 46 -2.835 -15.396 -4.918 863 2HD1 ILE 46 2HD1 ILE 46 -2.327 -16.967 -5.580 864 3HD1 ILE 46 3HD1 ILE 46 -4.042 -16.676 -5.241 865 H LEU 47 H LEU 47 -7.539 -15.791 -3.285 866 HA LEU 47 HA LEU 47 -8.468 -18.369 -2.876 867 1HB LEU 47 1HB LEU 47 -9.870 -16.400 -3.266 868 2HB LEU 47 2HB LEU 47 -9.438 -16.372 -4.979 869 HG LEU 47 HG LEU 47 -10.658 -18.882 -3.781 870 1HD1 LEU 47 1HD1 LEU 47 -12.102 -17.061 -2.985 871 2HD1 LEU 47 2HD1 LEU 47 -12.229 -16.419 -4.638 872 3HD1 LEU 47 3HD1 LEU 47 -12.917 -18.007 -4.238 873 1HD2 LEU 47 1HD2 LEU 47 -10.937 -17.544 -6.520 874 2HD2 LEU 47 2HD2 LEU 47 -9.958 -18.981 -6.185 875 3HD2 LEU 47 3HD2 LEU 47 -11.708 -19.061 -6.029 876 H GLY 48 H GLY 48 -8.156 -20.260 -3.874 877 1HA GLY 48 1HA GLY 48 -7.943 -21.463 -6.103 878 2HA GLY 48 2HA GLY 48 -6.596 -20.355 -6.430 879 1HN NH2 49 1HN NH2 49 -5.425 -20.092 -3.886 880 2HN NH2 49 2HN NH2 49 -4.793 -21.677 -3.364 Start of MODEL 13 1 1H ACE 0 H1 ACE 0 -1.139 -11.919 2.265 2 2H ACE 0 H2 ACE 0 0.377 -12.672 1.722 3 3H ACE 0 H3 ACE 0 0.224 -12.071 3.391 4 H ASP 1 H ASP 1 2.205 -10.861 2.867 5 HA ASP 1 HA ASP 1 1.777 -8.162 2.699 6 1HB ASP 1 1HB ASP 1 3.878 -9.212 3.503 7 2HB ASP 1 2HB ASP 1 4.330 -9.588 1.827 8 H TYR 2 H TYR 2 2.676 -10.289 -0.026 9 HA TYR 2 HA TYR 2 3.104 -8.632 -2.107 10 1HB TYR 2 1HB TYR 2 1.290 -11.079 -2.172 11 2HB TYR 2 2HB TYR 2 2.282 -10.432 -3.467 12 HD1 TYR 2 HD1 TYR 2 2.136 -12.918 -0.972 13 HD2 TYR 2 HD2 TYR 2 4.902 -10.230 -2.903 14 HE1 TYR 2 HE1 TYR 2 4.038 -14.090 0.109 15 HE2 TYR 2 HE2 TYR 2 6.792 -11.416 -1.845 16 HH TYR 2 HH TYR 2 7.418 -13.056 -0.370 17 H LEU 3 H LEU 3 -0.109 -9.432 -0.724 18 HA LEU 3 HA LEU 3 -1.564 -8.204 -2.849 19 1HB LEU 3 1HB LEU 3 -2.287 -8.755 0.076 20 2HB LEU 3 2HB LEU 3 -3.465 -8.223 -1.118 21 HG LEU 3 HG LEU 3 -1.834 -10.751 -1.608 22 1HD1 LEU 3 1HD1 LEU 3 -2.847 -11.037 0.604 23 2HD1 LEU 3 2HD1 LEU 3 -4.429 -10.531 -0.028 24 3HD1 LEU 3 3HD1 LEU 3 -3.681 -12.041 -0.595 25 1HD2 LEU 3 1HD2 LEU 3 -4.598 -9.795 -2.455 26 2HD2 LEU 3 2HD2 LEU 3 -3.156 -9.783 -3.489 27 3HD2 LEU 3 3HD2 LEU 3 -3.844 -11.326 -2.949 28 H ARG 4 H ARG 4 -0.430 -6.958 0.276 29 HA ARG 4 HA ARG 4 -1.622 -4.344 -0.159 30 1HB ARG 4 1HB ARG 4 0.497 -5.445 1.717 31 2HB ARG 4 2HB ARG 4 0.203 -3.709 1.623 32 1HG ARG 4 1HG ARG 4 -2.059 -5.684 2.076 33 2HG ARG 4 2HG ARG 4 -1.113 -5.018 3.413 34 1HD ARG 4 1HD ARG 4 -2.089 -2.938 3.271 35 2HD ARG 4 2HD ARG 4 -2.062 -2.931 1.518 36 HE ARG 4 HE ARG 4 -4.182 -3.671 1.408 37 1HH1 ARG 4 1HH2 ARG 4 -2.950 -4.410 4.616 38 2HH1 ARG 4 2HH2 ARG 4 -4.490 -4.894 5.274 39 1HH2 ARG 4 1HH1 ARG 4 -6.199 -4.330 2.200 40 2HH2 ARG 4 2HH1 ARG 4 -6.394 -4.860 3.845 41 H GLU 5 H GLU 5 0.972 -5.954 -1.715 42 HA GLU 5 HA GLU 5 2.524 -3.430 -2.085 43 1HB GLU 5 1HB GLU 5 3.647 -5.585 -1.448 44 2HB GLU 5 2HB GLU 5 3.180 -6.262 -3.007 45 1HG GLU 5 1HG GLU 5 4.479 -4.495 -4.162 46 2HG GLU 5 2HG GLU 5 4.891 -3.774 -2.595 47 H LEU 6 H LEU 6 1.216 -6.092 -4.083 48 HA LEU 6 HA LEU 6 1.324 -4.585 -6.532 49 1HB LEU 6 1HB LEU 6 0.125 -7.269 -5.770 50 2HB LEU 6 2HB LEU 6 0.128 -6.580 -7.399 51 HG LEU 6 HG LEU 6 2.506 -6.737 -7.633 52 1HD1 LEU 6 1HD1 LEU 6 3.282 -6.376 -5.340 53 2HD1 LEU 6 2HD1 LEU 6 2.667 -7.991 -4.886 54 3HD1 LEU 6 3HD1 LEU 6 3.963 -7.794 -6.092 55 1HD2 LEU 6 1HD2 LEU 6 1.401 -9.344 -6.532 56 2HD2 LEU 6 2HD2 LEU 6 0.721 -8.564 -7.964 57 3HD2 LEU 6 3HD2 LEU 6 2.379 -9.080 -7.999 58 H LEU 7 H LEU 7 -0.737 -4.000 -4.093 59 HA LEU 7 HA LEU 7 -2.874 -3.296 -5.957 60 1HB LEU 7 1HB LEU 7 -3.664 -4.977 -4.281 61 2HB LEU 7 2HB LEU 7 -3.139 -3.885 -2.986 62 HG LEU 7 HG LEU 7 -4.804 -2.201 -3.676 63 1HD1 LEU 7 1HD1 LEU 7 -5.034 -2.645 -6.070 64 2HD1 LEU 7 2HD1 LEU 7 -5.608 -4.292 -5.745 65 3HD1 LEU 7 3HD1 LEU 7 -6.599 -2.892 -5.292 66 1HD2 LEU 7 1HD2 LEU 7 -5.899 -5.003 -3.218 67 2HD2 LEU 7 2HD2 LEU 7 -5.357 -3.870 -1.969 68 3HD2 LEU 7 3HD2 LEU 7 -6.790 -3.490 -2.942 69 H LYS 8 H LYS 8 -1.028 -2.298 -3.067 70 HA LYS 8 HA LYS 8 -2.489 0.094 -2.886 71 1HB LYS 8 1HB LYS 8 -1.429 -1.116 -1.007 72 2HB LYS 8 2HB LYS 8 0.166 -0.544 -1.554 73 1HG LYS 8 1HG LYS 8 -0.271 1.652 -0.893 74 2HG LYS 8 2HG LYS 8 -2.018 1.486 -1.078 75 1HD LYS 8 1HD LYS 8 -1.442 1.663 1.278 76 2HD LYS 8 2HD LYS 8 -2.154 0.079 0.928 77 1HE LYS 8 1HE LYS 8 0.140 -0.932 0.876 78 2HE LYS 8 2HE LYS 8 0.837 0.660 1.223 79 1HZ LYS 8 1HZ LYS 8 -0.363 0.649 3.294 80 2HZ LYS 8 2HZ LYS 8 -1.008 -0.830 2.957 81 3HZ LYS 8 3HZ LYS 8 0.618 -0.670 3.180 82 H LEU 9 H LEU 9 0.696 -0.837 -4.150 83 HA LEU 9 HA LEU 9 1.639 1.767 -4.895 84 1HB LEU 9 1HB LEU 9 2.191 -0.933 -6.152 85 2HB LEU 9 2HB LEU 9 3.108 0.558 -6.430 86 HG LEU 9 HG LEU 9 2.880 -0.778 -3.705 87 1HD1 LEU 9 1HD1 LEU 9 4.018 -2.251 -5.320 88 2HD1 LEU 9 2HD1 LEU 9 5.104 -0.927 -5.786 89 3HD1 LEU 9 3HD1 LEU 9 5.165 -1.594 -4.140 90 1HD2 LEU 9 1HD2 LEU 9 4.705 1.419 -4.793 91 2HD2 LEU 9 2HD2 LEU 9 3.442 1.621 -3.557 92 3HD2 LEU 9 3HD2 LEU 9 4.870 0.642 -3.207 93 H GLU 10 H GLU 10 -0.285 -0.676 -6.649 94 HA GLU 10 HA GLU 10 -0.623 0.695 -9.180 95 1HB GLU 10 1HB GLU 10 -2.446 -1.214 -7.643 96 2HB GLU 10 2HB GLU 10 -2.649 -0.634 -9.292 97 1HG GLU 10 1HG GLU 10 -1.840 -3.011 -9.023 98 2HG GLU 10 2HG GLU 10 -0.939 -2.012 -10.144 99 H LEU 11 H LEU 11 -2.579 0.701 -6.168 100 HA LEU 11 HA LEU 11 -4.578 2.441 -7.124 101 1HB LEU 11 1HB LEU 11 -4.452 1.020 -4.915 102 2HB LEU 11 2HB LEU 11 -3.599 2.410 -4.243 103 HG LEU 11 HG LEU 11 -5.688 3.775 -5.130 104 1HD1 LEU 11 1HD1 LEU 11 -6.679 1.853 -6.412 105 2HD1 LEU 11 2HD1 LEU 11 -6.846 0.951 -4.894 106 3HD1 LEU 11 3HD1 LEU 11 -7.771 2.442 -5.148 107 1HD2 LEU 11 1HD2 LEU 11 -5.122 3.503 -2.761 108 2HD2 LEU 11 2HD2 LEU 11 -6.870 3.313 -2.996 109 3HD2 LEU 11 3HD2 LEU 11 -5.848 1.880 -2.747 110 H GLN 12 H GLN 12 -1.543 3.243 -5.345 111 HA GLN 12 HA GLN 12 -1.960 6.087 -5.418 112 1HB GLN 12 1HB GLN 12 0.621 4.439 -5.356 113 2HB GLN 12 2HB GLN 12 0.594 6.190 -5.425 114 1HG GLN 12 1HG GLN 12 0.735 6.091 -3.208 115 2HG GLN 12 2HG GLN 12 -1.022 5.981 -3.307 116 1HE2 GLN 12 2HE2 GLN 12 1.727 3.666 -3.724 117 2HE2 GLN 12 1HE2 GLN 12 1.099 2.486 -2.594 118 H LEU 13 H LEU 13 -0.652 3.852 -7.870 119 HA LEU 13 HA LEU 13 0.360 5.928 -9.512 120 1HB LEU 13 1HB LEU 13 -0.371 3.142 -10.392 121 2HB LEU 13 2HB LEU 13 0.561 4.355 -11.254 122 HG LEU 13 HG LEU 13 1.329 2.561 -9.073 123 1HD1 LEU 13 1HD1 LEU 13 2.171 2.495 -11.435 124 2HD1 LEU 13 2HD1 LEU 13 3.002 4.034 -11.149 125 3HD1 LEU 13 3HD1 LEU 13 3.464 2.594 -10.221 126 1HD2 LEU 13 1HD2 LEU 13 2.572 5.363 -9.127 127 2HD2 LEU 13 2HD2 LEU 13 1.729 4.631 -7.744 128 3HD2 LEU 13 3HD2 LEU 13 3.249 3.956 -8.286 129 H ILE 14 H ILE 14 -2.739 4.139 -9.527 130 HA ILE 14 HA ILE 14 -3.928 5.507 -11.747 131 HB ILE 14 HB ILE 14 -5.209 4.456 -9.173 132 1HG1 ILE 14 1HG1 ILE 14 -4.195 2.628 -10.263 133 2HG1 ILE 14 2HG1 ILE 14 -5.884 2.559 -10.723 134 1HG2 ILE 14 1HG2 ILE 14 -6.774 6.029 -10.255 135 2HG2 ILE 14 2HG2 ILE 14 -6.580 5.192 -11.804 136 3HG2 ILE 14 3HG2 ILE 14 -7.327 4.366 -10.429 137 1HD1 ILE 14 1HD1 ILE 14 -5.161 3.836 -12.875 138 2HD1 ILE 14 2HD1 ILE 14 -3.495 3.441 -12.379 139 3HD1 ILE 14 3HD1 ILE 14 -4.652 2.155 -12.719 140 H LYS 15 H LYS 15 -3.953 6.409 -8.396 141 HA LYS 15 HA LYS 15 -5.082 8.957 -8.474 142 1HB LYS 15 1HB LYS 15 -3.826 7.321 -6.561 143 2HB LYS 15 2HB LYS 15 -2.739 8.671 -6.704 144 1HG LYS 15 1HG LYS 15 -4.125 9.383 -5.016 145 2HG LYS 15 2HG LYS 15 -4.960 10.119 -6.393 146 1HD LYS 15 1HD LYS 15 -6.493 8.099 -6.456 147 2HD LYS 15 2HD LYS 15 -5.600 7.415 -5.087 148 1HE LYS 15 1HE LYS 15 -6.213 9.465 -3.727 149 2HE LYS 15 2HE LYS 15 -7.256 9.979 -5.068 150 1HZ LYS 15 1HZ LYS 15 -8.465 7.917 -4.797 151 2HZ LYS 15 2HZ LYS 15 -7.492 7.477 -3.542 152 3HZ LYS 15 3HZ LYS 15 -8.468 8.795 -3.402 153 H GLN 16 H GLN 16 -1.602 8.010 -8.936 154 HA GLN 16 HA GLN 16 -0.689 10.700 -9.405 155 1HB GLN 16 1HB GLN 16 0.442 7.997 -9.512 156 2HB GLN 16 2HB GLN 16 0.964 8.931 -10.895 157 1HG GLN 16 1HG GLN 16 2.630 9.403 -9.464 158 2HG GLN 16 2HG GLN 16 1.581 10.769 -9.092 159 1HE2 GLN 16 2HE2 GLN 16 1.262 11.058 -6.861 160 2HE2 GLN 16 1HE2 GLN 16 1.511 9.776 -5.682 161 H TYR 17 H TYR 17 -2.024 8.198 -11.477 162 HA TYR 17 HA TYR 17 -1.388 9.366 -14.005 163 1HB TYR 17 1HB TYR 17 -3.125 7.133 -12.967 164 2HB TYR 17 2HB TYR 17 -3.595 7.856 -14.468 165 HD1 TYR 17 HD1 TYR 17 -2.222 7.879 -16.414 166 HD2 TYR 17 HD2 TYR 17 -1.581 5.270 -13.092 167 HE1 TYR 17 HE1 TYR 17 -1.081 6.279 -17.925 168 HE2 TYR 17 HE2 TYR 17 -0.585 3.597 -14.604 169 HH TYR 17 HH TYR 17 0.163 4.305 -18.022 170 H ARG 18 H ARG 18 -3.990 9.712 -11.693 171 HA ARG 18 HA ARG 18 -5.744 11.270 -13.444 172 1HB ARG 18 1HB ARG 18 -5.741 10.721 -10.450 173 2HB ARG 18 2HB ARG 18 -6.906 11.793 -11.234 174 1HG ARG 18 1HG ARG 18 -7.794 10.022 -12.590 175 2HG ARG 18 2HG ARG 18 -6.522 8.897 -12.098 176 1HD ARG 18 1HD ARG 18 -7.291 8.854 -9.818 177 2HD ARG 18 2HD ARG 18 -8.470 10.136 -10.092 178 HE ARG 18 HE ARG 18 -8.685 7.296 -10.735 179 1HH1 ARG 18 1HH2 ARG 18 -9.863 10.500 -11.598 180 2HH1 ARG 18 2HH2 ARG 18 -11.411 9.950 -12.182 181 1HH2 ARG 18 1HH1 ARG 18 -10.674 6.530 -11.522 182 2HH2 ARG 18 2HH1 ARG 18 -11.870 7.621 -12.160 183 H GLU 19 H GLU 19 -3.450 11.846 -10.859 184 HA GLU 19 HA GLU 19 -3.566 14.669 -10.760 185 1HB GLU 19 1HB GLU 19 -2.240 13.074 -9.236 186 2HB GLU 19 2HB GLU 19 -1.002 13.089 -10.503 187 1HG GLU 19 1HG GLU 19 -0.970 15.618 -10.322 188 2HG GLU 19 2HG GLU 19 -2.016 15.459 -8.899 189 H ALA 20 H ALA 20 -1.605 12.478 -12.895 190 HA ALA 20 HA ALA 20 -0.403 14.829 -14.181 191 1HB ALA 20 1HB ALA 20 0.899 12.900 -13.898 192 2HB ALA 20 2HB ALA 20 -0.292 11.866 -14.707 193 3HB ALA 20 3HB ALA 20 0.652 13.048 -15.646 194 H LEU 21 H LEU 21 -3.047 12.602 -15.018 195 HA LEU 21 HA LEU 21 -3.537 12.982 -17.638 196 1HB LEU 21 1HB LEU 21 -4.958 11.594 -16.317 197 2HB LEU 21 2HB LEU 21 -5.436 12.947 -15.288 198 HG LEU 21 HG LEU 21 -6.741 13.939 -17.131 199 1HD1 LEU 21 1HD1 LEU 21 -5.457 12.942 -19.073 200 2HD1 LEU 21 2HD1 LEU 21 -6.123 11.359 -18.617 201 3HD1 LEU 21 3HD1 LEU 21 -7.200 12.649 -19.168 202 1HD2 LEU 21 1HD2 LEU 21 -7.363 11.026 -16.494 203 2HD2 LEU 21 2HD2 LEU 21 -7.772 12.427 -15.485 204 3HD2 LEU 21 3HD2 LEU 21 -8.527 12.240 -17.079 205 H GLU 22 H GLU 22 -4.573 15.327 -15.138 206 HA GLU 22 HA GLU 22 -5.863 17.012 -17.114 207 1HB GLU 22 1HB GLU 22 -5.239 17.450 -14.162 208 2HB GLU 22 2HB GLU 22 -6.167 18.572 -15.170 209 1HG GLU 22 1HG GLU 22 -6.951 15.656 -14.673 210 2HG GLU 22 2HG GLU 22 -7.627 17.056 -13.833 211 H TYR 23 H TYR 23 -2.717 17.033 -15.440 212 HA TYR 23 HA TYR 23 -1.907 19.624 -16.412 213 1HB TYR 23 1HB TYR 23 -0.590 17.192 -15.187 214 2HB TYR 23 2HB TYR 23 0.412 18.335 -16.030 215 HD1 TYR 23 HD1 TYR 23 0.050 20.897 -15.421 216 HD2 TYR 23 HD2 TYR 23 -0.963 17.581 -12.860 217 HE1 TYR 23 HE1 TYR 23 0.090 22.400 -13.449 218 HE2 TYR 23 HE2 TYR 23 -0.880 19.072 -10.895 219 HH TYR 23 HH TYR 23 -0.557 21.224 -10.140 220 H VAL 24 H VAL 24 -1.839 16.317 -17.690 221 HA VAL 24 HA VAL 24 -0.171 17.117 -19.976 222 HB VAL 24 HB VAL 24 -1.480 14.499 -19.198 223 1HG1 VAL 24 1HG1 VAL 24 -1.197 14.462 -21.619 224 2HG1 VAL 24 2HG1 VAL 24 0.427 15.171 -21.488 225 3HG1 VAL 24 3HG1 VAL 24 0.124 13.524 -20.911 226 1HG2 VAL 24 1HG2 VAL 24 1.441 15.399 -19.152 227 2HG2 VAL 24 2HG2 VAL 24 0.414 15.291 -17.717 228 3HG2 VAL 24 3HG2 VAL 24 0.814 13.827 -18.620 229 H LYS 25 H LYS 25 -3.603 16.648 -19.355 230 HA LYS 25 HA LYS 25 -5.454 17.011 -20.563 231 1HB LYS 25 1HB LYS 25 -3.709 18.739 -22.364 232 2HB LYS 25 2HB LYS 25 -5.471 18.762 -22.243 233 1HG LYS 25 1HG LYS 25 -5.278 19.445 -19.844 234 2HG LYS 25 2HG LYS 25 -3.515 19.528 -20.029 235 1HD LYS 25 1HD LYS 25 -3.744 21.217 -21.807 236 2HD LYS 25 2HD LYS 25 -5.516 21.110 -21.713 237 1HE LYS 25 1HE LYS 25 -5.422 21.884 -19.336 238 2HE LYS 25 2HE LYS 25 -3.661 22.037 -19.467 239 1HZ LYS 25 1HZ LYS 25 -3.995 23.661 -21.191 240 2HZ LYS 25 2HZ LYS 25 -5.632 23.506 -21.083 241 3HZ LYS 25 3HZ LYS 25 -4.778 24.118 -19.815 242 H LEU 26 H LEU 26 -4.358 14.563 -21.100 243 HA LEU 26 HA LEU 26 -4.891 14.193 -24.035 244 1HB LEU 26 1HB LEU 26 -2.542 13.823 -23.602 245 2HB LEU 26 2HB LEU 26 -2.937 12.746 -22.265 246 HG LEU 26 HG LEU 26 -4.181 11.313 -24.045 247 1HD1 LEU 26 1HD1 LEU 26 -4.036 12.892 -25.990 248 2HD1 LEU 26 2HD1 LEU 26 -2.262 12.775 -25.917 249 3HD1 LEU 26 3HD1 LEU 26 -3.225 11.358 -26.321 250 1HD2 LEU 26 1HD2 LEU 26 -1.150 11.416 -24.139 251 2HD2 LEU 26 2HD2 LEU 26 -2.117 10.553 -22.919 252 3HD2 LEU 26 3HD2 LEU 26 -2.196 10.066 -24.596 253 HA PRO 27 HA PRO 27 -8.173 11.808 -21.953 254 1HB PRO 27 1HB PRO 27 -9.616 10.998 -24.147 255 2HB PRO 27 2HB PRO 27 -9.729 12.616 -23.403 256 1HG PRO 27 1HG PRO 27 -8.085 11.800 -25.807 257 2HG PRO 27 2HG PRO 27 -9.145 13.229 -25.634 258 1HD PRO 27 1HD PRO 27 -6.461 13.392 -25.302 259 2HD PRO 27 2HD PRO 27 -7.553 14.344 -24.253 260 H VAL 28 H VAL 28 -6.210 10.573 -24.712 261 HA VAL 28 HA VAL 28 -6.527 7.815 -24.387 262 HB VAL 28 HB VAL 28 -4.275 9.519 -25.263 263 1HG1 VAL 28 1HG1 VAL 28 -2.988 7.906 -23.910 264 2HG1 VAL 28 2HG1 VAL 28 -3.904 6.564 -24.637 265 3HG1 VAL 28 3HG1 VAL 28 -2.800 7.532 -25.617 266 1HG2 VAL 28 1HG2 VAL 28 -5.470 7.044 -26.532 267 2HG2 VAL 28 2HG2 VAL 28 -5.959 8.721 -26.901 268 3HG2 VAL 28 3HG2 VAL 28 -4.316 8.164 -27.259 269 H LEU 29 H LEU 29 -4.780 10.103 -22.256 270 HA LEU 29 HA LEU 29 -3.385 8.158 -20.758 271 1HB LEU 29 1HB LEU 29 -3.418 10.910 -21.034 272 2HB LEU 29 2HB LEU 29 -4.215 10.772 -19.479 273 HG LEU 29 HG LEU 29 -1.683 9.268 -20.053 274 1HD1 LEU 29 1HD1 LEU 29 -1.139 11.485 -20.861 275 2HD1 LEU 29 2HD1 LEU 29 -1.819 12.230 -19.397 276 3HD1 LEU 29 3HD1 LEU 29 -0.348 11.236 -19.295 277 1HD2 LEU 29 1HD2 LEU 29 -2.556 10.798 -17.544 278 2HD2 LEU 29 2HD2 LEU 29 -3.102 9.147 -17.884 279 3HD2 LEU 29 3HD2 LEU 29 -1.361 9.497 -17.684 280 H ALA 30 H ALA 30 -6.556 9.748 -20.271 281 HA ALA 30 HA ALA 30 -7.110 8.300 -17.856 282 1HB ALA 30 1HB ALA 30 -8.341 10.385 -18.531 283 2HB ALA 30 2HB ALA 30 -9.090 9.495 -19.867 284 3HB ALA 30 3HB ALA 30 -9.435 9.034 -18.187 285 H LYS 31 H LYS 31 -7.610 7.642 -21.348 286 HA LYS 31 HA LYS 31 -9.374 5.396 -20.818 287 1HB LYS 31 1HB LYS 31 -8.150 6.629 -23.214 288 2HB LYS 31 2HB LYS 31 -8.414 4.888 -23.352 289 1HG LYS 31 1HG LYS 31 -10.548 6.805 -22.340 290 2HG LYS 31 2HG LYS 31 -10.376 6.394 -24.053 291 1HD LYS 31 1HD LYS 31 -11.325 4.338 -23.811 292 2HD LYS 31 2HD LYS 31 -10.368 3.957 -22.385 293 1HE LYS 31 1HE LYS 31 -12.717 3.924 -21.812 294 2HE LYS 31 2HE LYS 31 -11.898 5.225 -20.938 295 1HZ LYS 31 1HZ LYS 31 -12.774 6.769 -22.530 296 2HZ LYS 31 2HZ LYS 31 -13.505 5.554 -23.377 297 3HZ LYS 31 3HZ LYS 31 -13.994 5.902 -21.842 298 H ILE 32 H ILE 32 -5.923 5.682 -21.272 299 HA ILE 32 HA ILE 32 -5.190 2.903 -21.215 300 HB ILE 32 HB ILE 32 -3.844 5.559 -20.561 301 1HG1 ILE 32 1HG1 ILE 32 -3.197 3.376 -22.588 302 2HG1 ILE 32 2HG1 ILE 32 -4.171 4.806 -22.916 303 1HG2 ILE 32 1HG2 ILE 32 -2.883 4.193 -18.865 304 2HG2 ILE 32 2HG2 ILE 32 -2.752 2.813 -19.959 305 3HG2 ILE 32 3HG2 ILE 32 -1.704 4.235 -20.157 306 1HD1 ILE 32 1HD1 ILE 32 -2.184 6.235 -22.245 307 2HD1 ILE 32 2HD1 ILE 32 -1.208 4.748 -22.219 308 3HD1 ILE 32 3HD1 ILE 32 -1.971 5.268 -23.719 309 H LEU 33 H LEU 33 -5.384 5.500 -18.719 310 HA LEU 33 HA LEU 33 -4.680 3.672 -16.733 311 1HB LEU 33 1HB LEU 33 -4.722 5.447 -15.259 312 2HB LEU 33 2HB LEU 33 -4.563 6.239 -16.822 313 HG LEU 33 HG LEU 33 -7.071 6.535 -16.771 314 1HD1 LEU 33 1HD1 LEU 33 -8.139 5.359 -15.202 315 2HD1 LEU 33 2HD1 LEU 33 -6.688 5.215 -14.182 316 3HD1 LEU 33 3HD1 LEU 33 -7.687 6.696 -14.143 317 1HD2 LEU 33 1HD2 LEU 33 -5.647 7.899 -14.503 318 2HD2 LEU 33 2HD2 LEU 33 -5.218 8.239 -16.207 319 3HD2 LEU 33 3HD2 LEU 33 -6.849 8.584 -15.601 320 H GLU 34 H GLU 34 -7.876 4.485 -17.997 321 HA GLU 34 HA GLU 34 -9.490 3.344 -15.995 322 1HB GLU 34 1HB GLU 34 -10.138 4.652 -18.130 323 2HB GLU 34 2HB GLU 34 -10.033 3.125 -18.986 324 1HG GLU 34 1HG GLU 34 -11.738 2.152 -17.443 325 2HG GLU 34 2HG GLU 34 -11.811 3.688 -16.562 326 H ASP 35 H ASP 35 -8.029 1.892 -18.882 327 HA ASP 35 HA ASP 35 -8.990 -0.760 -18.435 328 1HB ASP 35 1HB ASP 35 -8.006 0.025 -20.595 329 2HB ASP 35 2HB ASP 35 -6.402 0.027 -19.836 330 H GLU 36 H GLU 36 -5.931 0.832 -17.456 331 HA GLU 36 HA GLU 36 -4.815 -1.341 -16.020 332 1HB GLU 36 1HB GLU 36 -4.712 1.605 -15.226 333 2HB GLU 36 2HB GLU 36 -3.636 0.343 -14.657 334 1HG GLU 36 1HG GLU 36 -3.785 1.029 -17.624 335 2HG GLU 36 2HG GLU 36 -2.783 1.932 -16.483 336 H GLU 37 H GLU 37 -7.199 1.146 -14.940 337 HA GLU 37 HA GLU 37 -7.340 0.444 -12.303 338 1HB GLU 37 1HB GLU 37 -8.534 2.263 -13.975 339 2HB GLU 37 2HB GLU 37 -9.920 1.238 -13.634 340 1HG GLU 37 1HG GLU 37 -8.064 2.409 -11.504 341 2HG GLU 37 2HG GLU 37 -9.403 3.280 -12.239 342 H LYS 38 H LYS 38 -9.212 -1.024 -14.988 343 HA LYS 38 HA LYS 38 -10.639 -2.957 -13.342 344 1HB LYS 38 1HB LYS 38 -11.234 -2.296 -15.722 345 2HB LYS 38 2HB LYS 38 -9.705 -2.978 -16.251 346 1HG LYS 38 1HG LYS 38 -10.937 -4.742 -16.808 347 2HG LYS 38 2HG LYS 38 -10.721 -5.236 -15.137 348 1HD LYS 38 1HD LYS 38 -13.119 -3.740 -16.305 349 2HD LYS 38 2HD LYS 38 -13.045 -5.466 -15.912 350 1HE LYS 38 1HE LYS 38 -12.622 -4.850 -13.494 351 2HE LYS 38 2HE LYS 38 -12.881 -3.149 -13.931 352 1HZ LYS 38 1HZ LYS 38 -15.071 -3.721 -14.653 353 2HZ LYS 38 2HZ LYS 38 -14.842 -5.304 -14.246 354 3HZ LYS 38 3HZ LYS 38 -14.841 -4.141 -13.076 355 H HIS 39 H HIS 39 -7.540 -3.224 -15.109 356 HA HIS 39 HA HIS 39 -7.068 -5.944 -14.362 357 1HB HIS 39 1HB HIS 39 -5.375 -3.600 -15.248 358 2HB HIS 39 2HB HIS 39 -4.580 -4.950 -14.463 359 HD1 HIS 39 HD1 HIS 39 -3.404 -5.939 -16.552 360 HD2 HIS 39 HD2 HIS 39 -7.598 -5.614 -16.806 361 HE1 HIS 39 HE1 HIS 39 -4.153 -7.583 -18.362 362 HE2 HIS 39 HE2 HIS 39 -6.698 -7.270 -18.610 363 H ILE 40 H ILE 40 -6.448 -2.949 -12.654 364 HA ILE 40 HA ILE 40 -4.958 -4.114 -10.451 365 HB ILE 40 HB ILE 40 -6.214 -1.399 -10.900 366 1HG1 ILE 40 1HG1 ILE 40 -3.261 -2.112 -10.726 367 2HG1 ILE 40 2HG1 ILE 40 -4.102 -2.293 -12.244 368 1HG2 ILE 40 1HG2 ILE 40 -6.080 -1.828 -8.456 369 2HG2 ILE 40 2HG2 ILE 40 -4.386 -2.322 -8.632 370 3HG2 ILE 40 3HG2 ILE 40 -4.879 -0.642 -8.937 371 1HD1 ILE 40 1HD1 ILE 40 -4.773 0.017 -12.284 372 2HD1 ILE 40 2HD1 ILE 40 -3.966 0.343 -10.749 373 3HD1 ILE 40 3HD1 ILE 40 -3.007 -0.129 -12.166 374 H GLU 41 H GLU 41 -8.335 -3.207 -11.179 375 HA GLU 41 HA GLU 41 -9.428 -3.485 -8.641 376 1HB GLU 41 1HB GLU 41 -10.597 -2.707 -10.816 377 2HB GLU 41 2HB GLU 41 -10.828 -4.433 -11.174 378 1HG GLU 41 1HG GLU 41 -11.938 -4.586 -8.858 379 2HG GLU 41 2HG GLU 41 -11.907 -2.814 -8.850 380 H TRP 42 H TRP 42 -8.669 -6.093 -11.074 381 HA TRP 42 HA TRP 42 -9.824 -8.134 -9.680 382 1HB TRP 42 1HB TRP 42 -8.605 -8.432 -11.792 383 2HB TRP 42 2HB TRP 42 -7.071 -8.214 -10.965 384 HD1 TRP 42 HD1 TRP 42 -10.076 -10.205 -9.939 385 HE1 TRP 42 HE1 TRP 42 -9.310 -12.542 -8.983 386 HE3 TRP 42 HE3 TRP 42 -5.180 -9.690 -10.657 387 HZ2 TRP 42 HZ2 TRP 42 -6.800 -14.035 -8.873 388 HZ3 TRP 42 HZ3 TRP 42 -3.573 -11.532 -10.263 389 HH2 TRP 42 HH2 TRP 42 -4.353 -13.679 -9.258 390 H LEU 43 H LEU 43 -6.741 -6.607 -9.083 391 HA LEU 43 HA LEU 43 -5.877 -8.438 -6.991 392 1HB LEU 43 1HB LEU 43 -4.826 -5.676 -7.681 393 2HB LEU 43 2HB LEU 43 -4.128 -6.777 -6.501 394 HG LEU 43 HG LEU 43 -4.490 -8.297 -8.919 395 1HD1 LEU 43 1HD1 LEU 43 -4.550 -6.215 -10.153 396 2HD1 LEU 43 2HD1 LEU 43 -3.078 -5.625 -9.343 397 3HD1 LEU 43 3HD1 LEU 43 -3.003 -7.011 -10.452 398 1HD2 LEU 43 1HD2 LEU 43 -1.988 -7.190 -7.619 399 2HD2 LEU 43 2HD2 LEU 43 -2.781 -8.721 -7.190 400 3HD2 LEU 43 3HD2 LEU 43 -2.059 -8.511 -8.799 401 H GLU 44 H GLU 44 -8.370 -6.008 -6.939 402 HA GLU 44 HA GLU 44 -8.041 -5.750 -4.043 403 1HB GLU 44 1HB GLU 44 -9.380 -3.984 -4.062 404 2HB GLU 44 2HB GLU 44 -8.882 -3.903 -5.756 405 1HG GLU 44 1HG GLU 44 -11.020 -5.193 -6.311 406 2HG GLU 44 2HG GLU 44 -11.414 -5.133 -4.607 407 H THR 45 H THR 45 -9.532 -7.806 -6.267 408 HA THR 45 HA THR 45 -11.771 -8.539 -4.477 409 HB THR 45 HB THR 45 -11.997 -9.829 -6.891 410 HG1 THR 45 HG1 THR 45 -10.914 -7.308 -7.511 411 1HG2 THR 45 1HG2 THR 45 -13.800 -8.474 -5.780 412 2HG2 THR 45 2HG2 THR 45 -12.927 -6.984 -6.221 413 3HG2 THR 45 3HG2 THR 45 -13.635 -8.006 -7.492 414 H ILE 46 H ILE 46 -8.770 -9.703 -5.632 415 HA ILE 46 HA ILE 46 -8.919 -12.387 -5.751 416 HB ILE 46 HB ILE 46 -6.915 -11.235 -6.247 417 1HG1 ILE 46 1HG1 ILE 46 -5.151 -12.370 -4.875 418 2HG1 ILE 46 2HG1 ILE 46 -6.398 -12.957 -3.768 419 1HG2 ILE 46 1HG2 ILE 46 -7.141 -9.314 -4.707 420 2HG2 ILE 46 2HG2 ILE 46 -6.625 -10.333 -3.365 421 3HG2 ILE 46 3HG2 ILE 46 -5.528 -10.006 -4.726 422 1HD1 ILE 46 1HD1 ILE 46 -7.537 -14.027 -5.783 423 2HD1 ILE 46 2HD1 ILE 46 -6.156 -13.444 -6.740 424 3HD1 ILE 46 3HD1 ILE 46 -5.905 -14.646 -5.452 425 H LEU 47 H LEU 47 -10.189 -13.607 -4.447 426 HA LEU 47 HA LEU 47 -9.406 -14.081 -1.710 427 1HB LEU 47 1HB LEU 47 -10.984 -11.872 -1.882 428 2HB LEU 47 2HB LEU 47 -12.255 -13.067 -1.963 429 HG LEU 47 HG LEU 47 -12.001 -12.307 0.273 430 1HD1 LEU 47 1HD1 LEU 47 -12.424 -14.762 0.007 431 2HD1 LEU 47 2HD1 LEU 47 -10.682 -15.050 0.242 432 3HD1 LEU 47 3HD1 LEU 47 -11.642 -14.324 1.537 433 1HD2 LEU 47 1HD2 LEU 47 -9.061 -13.111 0.249 434 2HD2 LEU 47 2HD2 LEU 47 -9.677 -11.457 0.085 435 3HD2 LEU 47 3HD2 LEU 47 -9.967 -12.369 1.576 436 H GLY 48 H GLY 48 -12.178 -14.280 -3.968 437 1HA GLY 48 1HA GLY 48 -12.581 -16.574 -4.964 438 2HA GLY 48 2HA GLY 48 -12.509 -17.202 -3.312 439 1HN NH2 49 1HN NH2 49 -13.795 -15.044 -1.934 440 2HN NH2 49 2HN NH2 49 -15.510 -15.030 -2.426 441 1H ACE 0 H1 ACE 0 11.471 14.360 -13.553 442 2H ACE 0 H2 ACE 0 12.681 15.480 -14.197 443 3H ACE 0 H3 ACE 0 11.242 16.121 -13.391 444 H ASP 1 H ASP 1 9.118 15.396 -16.306 445 HA ASP 1 HA ASP 1 9.210 14.753 -13.402 446 1HB ASP 1 1HB ASP 1 8.879 17.144 -13.474 447 2HB ASP 1 2HB ASP 1 7.608 17.008 -14.686 448 H TYR 2 H TYR 2 6.218 15.539 -15.110 449 HA TYR 2 HA TYR 2 4.685 13.543 -14.462 450 1HB TYR 2 1HB TYR 2 4.829 14.833 -17.171 451 2HB TYR 2 2HB TYR 2 3.498 13.881 -16.531 452 HD1 TYR 2 HD1 TYR 2 2.466 14.572 -14.226 453 HD2 TYR 2 HD2 TYR 2 4.890 17.141 -16.681 454 HE1 TYR 2 HE1 TYR 2 1.717 16.532 -12.908 455 HE2 TYR 2 HE2 TYR 2 4.158 19.116 -15.337 456 HH TYR 2 HH TYR 2 1.892 18.811 -12.605 457 H LEU 3 H LEU 3 6.760 13.270 -17.372 458 HA LEU 3 HA LEU 3 5.822 10.671 -17.931 459 1HB LEU 3 1HB LEU 3 8.576 11.840 -18.623 460 2HB LEU 3 2HB LEU 3 7.818 10.471 -19.442 461 HG LEU 3 HG LEU 3 6.774 13.346 -19.489 462 1HD1 LEU 3 1HD1 LEU 3 8.913 13.067 -20.689 463 2HD1 LEU 3 2HD1 LEU 3 8.228 11.707 -21.605 464 3HD1 LEU 3 3HD1 LEU 3 7.574 13.344 -21.816 465 1HD2 LEU 3 1HD2 LEU 3 5.879 10.838 -20.987 466 2HD2 LEU 3 2HD2 LEU 3 4.933 11.732 -19.776 467 3HD2 LEU 3 3HD2 LEU 3 5.317 12.488 -21.327 468 H ARG 4 H ARG 4 8.721 11.563 -16.081 469 HA ARG 4 HA ARG 4 9.531 8.823 -15.661 470 1HB ARG 4 1HB ARG 4 9.976 11.308 -13.956 471 2HB ARG 4 2HB ARG 4 10.814 9.759 -13.764 472 1HG ARG 4 1HG ARG 4 11.709 9.953 -16.087 473 2HG ARG 4 2HG ARG 4 10.854 11.490 -16.273 474 1HD ARG 4 1HD ARG 4 12.254 12.041 -14.005 475 2HD ARG 4 2HD ARG 4 13.389 10.935 -14.784 476 HE ARG 4 HE ARG 4 12.754 13.644 -15.499 477 1HH1 ARG 4 1HH2 ARG 4 13.649 10.591 -17.000 478 2HH1 ARG 4 2HH2 ARG 4 13.900 11.275 -18.583 479 1HH2 ARG 4 1HH1 ARG 4 12.860 14.521 -17.519 480 2HH2 ARG 4 2HH1 ARG 4 13.526 13.631 -18.873 481 H GLU 5 H GLU 5 6.935 10.807 -14.457 482 HA GLU 5 HA GLU 5 6.917 9.494 -11.814 483 1HB GLU 5 1HB GLU 5 6.395 12.033 -12.415 484 2HB GLU 5 2HB GLU 5 4.793 11.415 -12.788 485 1HG GLU 5 1HG GLU 5 4.656 12.121 -10.559 486 2HG GLU 5 2HG GLU 5 4.851 10.371 -10.402 487 H LEU 6 H LEU 6 5.074 9.561 -14.859 488 HA LEU 6 HA LEU 6 3.437 7.231 -14.012 489 1HB LEU 6 1HB LEU 6 3.389 9.099 -16.413 490 2HB LEU 6 2HB LEU 6 2.387 7.653 -16.227 491 HG LEU 6 HG LEU 6 1.380 8.696 -14.122 492 1HD1 LEU 6 1HD1 LEU 6 3.147 10.468 -13.795 493 2HD1 LEU 6 2HD1 LEU 6 2.419 11.316 -15.172 494 3HD1 LEU 6 3HD1 LEU 6 1.482 10.898 -13.691 495 1HD2 LEU 6 1HD2 LEU 6 1.121 10.070 -16.853 496 2HD2 LEU 6 2HD2 LEU 6 0.384 8.520 -16.422 497 3HD2 LEU 6 3HD2 LEU 6 -0.144 9.989 -15.621 498 H LEU 7 H LEU 7 6.458 7.100 -14.536 499 HA LEU 7 HA LEU 7 6.208 4.899 -16.423 500 1HB LEU 7 1HB LEU 7 7.178 6.857 -17.670 501 2HB LEU 7 2HB LEU 7 8.538 6.835 -16.532 502 HG LEU 7 HG LEU 7 8.672 4.264 -17.315 503 1HD1 LEU 7 1HD1 LEU 7 6.510 4.544 -18.655 504 2HD1 LEU 7 2HD1 LEU 7 7.404 5.615 -19.734 505 3HD1 LEU 7 3HD1 LEU 7 7.886 3.908 -19.570 506 1HD2 LEU 7 1HD2 LEU 7 9.583 6.573 -19.081 507 2HD2 LEU 7 2HD2 LEU 7 10.445 5.945 -17.658 508 3HD2 LEU 7 3HD2 LEU 7 10.231 4.917 -19.082 509 H LYS 8 H LYS 8 8.644 6.434 -14.224 510 HA LYS 8 HA LYS 8 9.917 3.948 -13.896 511 1HB LYS 8 1HB LYS 8 10.191 6.459 -12.221 512 2HB LYS 8 2HB LYS 8 11.285 5.057 -12.223 513 1HG LYS 8 1HG LYS 8 11.257 5.526 -14.877 514 2HG LYS 8 2HG LYS 8 10.884 7.167 -14.362 515 1HD LYS 8 1HD LYS 8 13.291 5.523 -13.402 516 2HD LYS 8 2HD LYS 8 13.319 6.578 -14.810 517 1HE LYS 8 1HE LYS 8 14.317 7.726 -12.932 518 2HE LYS 8 2HE LYS 8 12.833 8.556 -13.416 519 1HZ LYS 8 1HZ LYS 8 11.725 7.540 -11.583 520 2HZ LYS 8 2HZ LYS 8 13.059 6.661 -11.179 521 3HZ LYS 8 3HZ LYS 8 13.074 8.303 -11.035 522 H LEU 9 H LEU 9 7.609 5.790 -11.900 523 HA LEU 9 HA LEU 9 7.374 3.885 -9.782 524 1HB LEU 9 1HB LEU 9 5.460 5.903 -10.950 525 2HB LEU 9 2HB LEU 9 5.001 4.864 -9.611 526 HG LEU 9 HG LEU 9 7.531 6.529 -9.416 527 1HD1 LEU 9 1HD1 LEU 9 5.845 8.178 -9.899 528 2HD1 LEU 9 2HD1 LEU 9 4.689 7.423 -8.780 529 3HD1 LEU 9 3HD1 LEU 9 6.153 8.223 -8.164 530 1HD2 LEU 9 1HD2 LEU 9 5.559 5.486 -7.326 531 2HD2 LEU 9 2HD2 LEU 9 7.104 4.711 -7.718 532 3HD2 LEU 9 3HD2 LEU 9 7.087 6.328 -7.003 533 H GLU 10 H GLU 10 5.760 4.046 -13.032 534 HA GLU 10 HA GLU 10 4.100 1.786 -12.566 535 1HB GLU 10 1HB GLU 10 5.331 2.487 -15.228 536 2HB GLU 10 2HB GLU 10 3.841 1.631 -14.808 537 1HG GLU 10 1HG GLU 10 4.275 4.595 -14.424 538 2HG GLU 10 2HG GLU 10 3.436 3.869 -15.794 539 H LEU 11 H LEU 11 7.440 2.106 -13.755 540 HA LEU 11 HA LEU 11 7.874 -0.556 -14.559 541 1HB LEU 11 1HB LEU 11 9.388 1.588 -14.819 542 2HB LEU 11 2HB LEU 11 9.997 1.158 -13.218 543 HG LEU 11 HG LEU 11 10.478 -1.191 -14.246 544 1HD1 LEU 11 1HD1 LEU 11 9.200 -0.846 -16.371 545 2HD1 LEU 11 2HD1 LEU 11 10.269 0.508 -16.784 546 3HD1 LEU 11 3HD1 LEU 11 10.915 -1.141 -16.688 547 1HD2 LEU 11 1HD2 LEU 11 12.037 1.284 -15.107 548 2HD2 LEU 11 2HD2 LEU 11 12.226 0.394 -13.581 549 3HD2 LEU 11 3HD2 LEU 11 12.658 -0.382 -15.115 550 H GLN 12 H GLN 12 8.253 0.976 -11.335 551 HA GLN 12 HA GLN 12 9.171 -1.393 -10.023 552 1HB GLN 12 1HB GLN 12 7.692 1.071 -9.014 553 2HB GLN 12 2HB GLN 12 8.034 -0.297 -7.974 554 1HG GLN 12 1HG GLN 12 10.003 0.572 -7.506 555 2HG GLN 12 2HG GLN 12 10.535 0.118 -9.120 556 1HE2 GLN 12 2HE2 GLN 12 8.533 2.745 -7.644 557 2HE2 GLN 12 1HE2 GLN 12 9.407 4.047 -8.442 558 H LEU 13 H LEU 13 5.909 -0.630 -11.150 559 HA LEU 13 HA LEU 13 4.601 -2.568 -9.434 560 1HB LEU 13 1HB LEU 13 3.630 -1.572 -12.151 561 2HB LEU 13 2HB LEU 13 2.758 -2.444 -10.909 562 HG LEU 13 HG LEU 13 3.716 0.418 -10.827 563 1HD1 LEU 13 1HD1 LEU 13 1.643 0.007 -12.066 564 2HD1 LEU 13 2HD1 LEU 13 1.000 -0.980 -10.741 565 3HD1 LEU 13 3HD1 LEU 13 1.206 0.752 -10.518 566 1HD2 LEU 13 1HD2 LEU 13 2.532 -1.208 -8.546 567 2HD2 LEU 13 2HD2 LEU 13 4.104 -0.386 -8.578 568 3HD2 LEU 13 3HD2 LEU 13 2.612 0.564 -8.602 569 H ILE 14 H ILE 14 5.562 -2.482 -12.903 570 HA ILE 14 HA ILE 14 5.037 -5.231 -13.510 571 HB ILE 14 HB ILE 14 7.361 -3.451 -14.515 572 1HG1 ILE 14 1HG1 ILE 14 5.491 -2.111 -14.912 573 2HG1 ILE 14 2HG1 ILE 14 5.847 -2.910 -16.436 574 1HG2 ILE 14 1HG2 ILE 14 7.229 -4.801 -16.575 575 2HG2 ILE 14 2HG2 ILE 14 7.637 -5.796 -15.180 576 3HG2 ILE 14 3HG2 ILE 14 5.991 -5.837 -15.835 577 1HD1 ILE 14 1HD1 ILE 14 4.063 -4.641 -15.785 578 2HD1 ILE 14 2HD1 ILE 14 3.591 -3.526 -14.485 579 3HD1 ILE 14 3HD1 ILE 14 3.495 -3.016 -16.175 580 H LYS 15 H LYS 15 7.964 -3.715 -12.467 581 HA LYS 15 HA LYS 15 9.509 -6.048 -12.049 582 1HB LYS 15 1HB LYS 15 10.195 -3.516 -11.726 583 2HB LYS 15 2HB LYS 15 9.746 -3.806 -10.045 584 1HG LYS 15 1HG LYS 15 12.018 -4.350 -10.024 585 2HG LYS 15 2HG LYS 15 11.315 -5.947 -10.318 586 1HD LYS 15 1HD LYS 15 11.595 -5.405 -12.856 587 2HD LYS 15 2HD LYS 15 12.523 -3.992 -12.332 588 1HE LYS 15 1HE LYS 15 14.050 -5.596 -11.049 589 2HE LYS 15 2HE LYS 15 13.177 -6.933 -11.828 590 1HZ LYS 15 1HZ LYS 15 13.829 -5.991 -13.949 591 2HZ LYS 15 2HZ LYS 15 14.680 -4.806 -13.184 592 3HZ LYS 15 3HZ LYS 15 15.139 -6.379 -13.029 593 H GLN 16 H GLN 16 7.330 -4.488 -9.619 594 HA GLN 16 HA GLN 16 7.866 -6.486 -7.559 595 1HB GLN 16 1HB GLN 16 5.846 -4.262 -7.926 596 2HB GLN 16 2HB GLN 16 5.459 -5.570 -6.830 597 1HG GLN 16 1HG GLN 16 6.426 -3.797 -5.573 598 2HG GLN 16 2HG GLN 16 7.459 -5.224 -5.503 599 1HE2 GLN 16 2HE2 GLN 16 9.385 -5.183 -7.127 600 2HE2 GLN 16 1HE2 GLN 16 10.146 -3.610 -7.322 601 H TYR 17 H TYR 17 5.644 -6.247 -10.252 602 HA TYR 17 HA TYR 17 3.849 -8.309 -9.399 603 1HB TYR 17 1HB TYR 17 4.494 -6.867 -11.994 604 2HB TYR 17 2HB TYR 17 3.516 -8.279 -12.021 605 HD1 TYR 17 HD1 TYR 17 3.133 -4.990 -12.412 606 HD2 TYR 17 HD2 TYR 17 1.539 -8.280 -10.165 607 HE1 TYR 17 HE1 TYR 17 0.972 -3.848 -12.309 608 HE2 TYR 17 HE2 TYR 17 -0.651 -7.117 -10.042 609 HH TYR 17 HH TYR 17 -1.262 -4.062 -11.772 610 H ARG 18 H ARG 18 6.922 -8.248 -11.069 611 HA ARG 18 HA ARG 18 6.768 -11.033 -11.995 612 1HB ARG 18 1HB ARG 18 9.140 -9.138 -11.796 613 2HB ARG 18 2HB ARG 18 9.203 -10.804 -12.401 614 1HG ARG 18 1HG ARG 18 7.629 -10.254 -14.216 615 2HG ARG 18 2HG ARG 18 7.503 -8.603 -13.616 616 1HD ARG 18 1HD ARG 18 8.994 -8.472 -15.404 617 2HD ARG 18 2HD ARG 18 10.027 -8.363 -13.993 618 HE ARG 18 HE ARG 18 9.762 -10.536 -15.988 619 1HH1 ARG 18 1HH2 ARG 18 11.173 -9.667 -12.876 620 2HH1 ARG 18 2HH2 ARG 18 12.470 -10.828 -12.973 621 1HH2 ARG 18 1HH1 ARG 18 11.414 -12.053 -16.139 622 2HH2 ARG 18 2HH1 ARG 18 12.596 -12.236 -14.874 623 H GLU 19 H GLU 19 8.274 -9.207 -9.413 624 HA GLU 19 HA GLU 19 9.520 -11.326 -8.022 625 1HB GLU 19 1HB GLU 19 9.743 -8.834 -7.577 626 2HB GLU 19 2HB GLU 19 8.194 -8.935 -6.722 627 1HG GLU 19 1HG GLU 19 9.185 -10.696 -5.228 628 2HG GLU 19 2HG GLU 19 10.747 -10.435 -6.026 629 H ALA 20 H ALA 20 6.149 -10.040 -7.752 630 HA ALA 20 HA ALA 20 5.596 -11.924 -5.568 631 1HB ALA 20 1HB ALA 20 4.536 -9.856 -5.397 632 2HB ALA 20 2HB ALA 20 4.017 -9.881 -7.079 633 3HB ALA 20 3HB ALA 20 3.216 -10.930 -5.885 634 H LEU 21 H LEU 21 5.485 -12.094 -9.037 635 HA LEU 21 HA LEU 21 3.352 -13.479 -9.671 636 1HB LEU 21 1HB LEU 21 5.380 -12.738 -11.085 637 2HB LEU 21 2HB LEU 21 6.098 -14.308 -10.763 638 HG LEU 21 HG LEU 21 4.978 -14.000 -12.958 639 1HD1 LEU 21 1HD1 LEU 21 5.176 -16.313 -12.011 640 2HD1 LEU 21 2HD1 LEU 21 3.504 -16.165 -11.411 641 3HD1 LEU 21 3HD1 LEU 21 3.829 -16.080 -13.142 642 1HD2 LEU 21 1HD2 LEU 21 2.325 -14.031 -11.450 643 2HD2 LEU 21 2HD2 LEU 21 3.110 -12.549 -12.085 644 3HD2 LEU 21 3HD2 LEU 21 2.639 -13.874 -13.154 645 H GLU 22 H GLU 22 6.288 -15.109 -8.476 646 HA GLU 22 HA GLU 22 4.979 -17.726 -8.700 647 1HB GLU 22 1HB GLU 22 7.842 -17.027 -7.926 648 2HB GLU 22 2HB GLU 22 7.155 -18.651 -8.074 649 1HG GLU 22 1HG GLU 22 6.532 -18.101 -10.476 650 2HG GLU 22 2HG GLU 22 7.487 -16.616 -10.318 651 H TYR 23 H TYR 23 5.536 -15.298 -6.247 652 HA TYR 23 HA TYR 23 5.278 -17.125 -3.999 653 1HB TYR 23 1HB TYR 23 5.079 -14.128 -4.457 654 2HB TYR 23 2HB TYR 23 4.420 -14.836 -3.015 655 HD1 TYR 23 HD1 TYR 23 7.330 -13.340 -4.268 656 HD2 TYR 23 HD2 TYR 23 6.006 -16.597 -1.769 657 HE1 TYR 23 HE1 TYR 23 9.473 -13.270 -3.026 658 HE2 TYR 23 HE2 TYR 23 8.170 -16.575 -0.587 659 HH TYR 23 HH TYR 23 10.181 -15.508 -0.331 660 H VAL 24 H VAL 24 3.159 -15.280 -6.191 661 HA VAL 24 HA VAL 24 0.786 -16.209 -4.650 662 HB VAL 24 HB VAL 24 1.058 -14.290 -6.940 663 1HG1 VAL 24 1HG1 VAL 24 -1.252 -15.160 -6.875 664 2HG1 VAL 24 2HG1 VAL 24 -1.292 -15.015 -5.107 665 3HG1 VAL 24 3HG1 VAL 24 -1.284 -13.564 -6.117 666 1HG2 VAL 24 1HG2 VAL 24 0.698 -13.797 -3.954 667 2HG2 VAL 24 2HG2 VAL 24 2.162 -13.445 -4.889 668 3HG2 VAL 24 3HG2 VAL 24 0.681 -12.545 -5.213 669 H LYS 25 H LYS 25 2.424 -16.980 -7.690 670 HA LYS 25 HA LYS 25 2.089 -18.634 -9.208 671 1HB LYS 25 1HB LYS 25 0.902 -19.805 -6.696 672 2HB LYS 25 2HB LYS 25 0.663 -20.674 -8.210 673 1HG LYS 25 1HG LYS 25 2.953 -20.937 -8.622 674 2HG LYS 25 2HG LYS 25 3.414 -19.830 -7.314 675 1HD LYS 25 1HD LYS 25 2.663 -21.281 -5.608 676 2HD LYS 25 2HD LYS 25 1.747 -22.308 -6.718 677 1HE LYS 25 1HE LYS 25 4.792 -22.049 -6.756 678 2HE LYS 25 2HE LYS 25 3.909 -23.317 -5.889 679 1HZ LYS 25 1HZ LYS 25 2.953 -24.012 -7.960 680 2HZ LYS 25 2HZ LYS 25 3.796 -22.862 -8.786 681 3HZ LYS 25 3HZ LYS 25 4.598 -24.080 -8.020 682 H LEU 26 H LEU 26 0.739 -16.855 -10.350 683 HA LEU 26 HA LEU 26 -1.719 -18.216 -11.120 684 1HB LEU 26 1HB LEU 26 -1.784 -16.244 -9.089 685 2HB LEU 26 2HB LEU 26 -2.424 -15.418 -10.493 686 HG LEU 26 HG LEU 26 -3.469 -18.203 -9.871 687 1HD1 LEU 26 1HD1 LEU 26 -3.433 -17.239 -7.671 688 2HD1 LEU 26 2HD1 LEU 26 -4.193 -15.743 -8.250 689 3HD1 LEU 26 3HD1 LEU 26 -5.098 -17.271 -8.275 690 1HD2 LEU 26 1HD2 LEU 26 -4.842 -15.628 -10.742 691 2HD2 LEU 26 2HD2 LEU 26 -4.231 -16.866 -11.858 692 3HD2 LEU 26 3HD2 LEU 26 -5.543 -17.257 -10.733 693 HA PRO 27 HA PRO 27 -0.398 -16.351 -14.939 694 1HB PRO 27 1HB PRO 27 -2.456 -17.091 -16.600 695 2HB PRO 27 2HB PRO 27 -1.145 -18.185 -16.080 696 1HG PRO 27 1HG PRO 27 -3.912 -17.912 -14.877 697 2HG PRO 27 2HG PRO 27 -3.057 -19.415 -15.330 698 1HD PRO 27 1HD PRO 27 -3.080 -18.558 -12.780 699 2HD PRO 27 2HD PRO 27 -1.577 -19.231 -13.466 700 H VAL 28 H VAL 28 -3.572 -15.680 -13.401 701 HA VAL 28 HA VAL 28 -4.261 -13.453 -15.036 702 HB VAL 28 HB VAL 28 -4.684 -13.697 -12.080 703 1HG1 VAL 28 1HG1 VAL 28 -5.236 -11.463 -12.954 704 2HG1 VAL 28 2HG1 VAL 28 -6.274 -12.178 -14.196 705 3HG1 VAL 28 3HG1 VAL 28 -6.718 -12.305 -12.490 706 1HG2 VAL 28 1HG2 VAL 28 -6.710 -14.609 -14.147 707 2HG2 VAL 28 2HG2 VAL 28 -5.671 -15.732 -13.249 708 3HG2 VAL 28 3HG2 VAL 28 -6.825 -14.714 -12.382 709 H LEU 29 H LEU 29 -1.947 -13.784 -12.338 710 HA LEU 29 HA LEU 29 -1.443 -10.938 -12.030 711 1HB LEU 29 1HB LEU 29 -0.240 -13.568 -11.117 712 2HB LEU 29 2HB LEU 29 0.844 -12.207 -11.255 713 HG LEU 29 HG LEU 29 -1.682 -12.108 -9.599 714 1HD1 LEU 29 1HD1 LEU 29 -0.274 -13.864 -8.770 715 2HD1 LEU 29 2HD1 LEU 29 1.170 -12.824 -8.863 716 3HD1 LEU 29 3HD1 LEU 29 -0.123 -12.434 -7.711 717 1HD2 LEU 29 1HD2 LEU 29 0.882 -10.453 -9.574 718 2HD2 LEU 29 2HD2 LEU 29 -0.648 -9.876 -10.272 719 3HD2 LEU 29 3HD2 LEU 29 -0.549 -10.235 -8.538 720 H ALA 30 H ALA 30 0.350 -13.698 -13.461 721 HA ALA 30 HA ALA 30 2.265 -12.232 -14.552 722 1HB ALA 30 1HB ALA 30 2.044 -14.817 -14.894 723 2HB ALA 30 2HB ALA 30 0.891 -14.484 -16.178 724 3HB ALA 30 3HB ALA 30 2.570 -13.962 -16.352 725 H LYS 31 H LYS 31 -1.037 -12.752 -15.959 726 HA LYS 31 HA LYS 31 -0.380 -11.357 -18.448 727 1HB LYS 31 1HB LYS 31 -2.939 -12.543 -17.336 728 2HB LYS 31 2HB LYS 31 -2.956 -11.421 -18.706 729 1HG LYS 31 1HG LYS 31 -1.316 -12.822 -19.919 730 2HG LYS 31 2HG LYS 31 -1.391 -14.028 -18.617 731 1HD LYS 31 1HD LYS 31 -3.763 -14.424 -19.075 732 2HD LYS 31 2HD LYS 31 -3.826 -13.047 -20.197 733 1HE LYS 31 1HE LYS 31 -2.251 -14.161 -21.732 734 2HE LYS 31 2HE LYS 31 -2.127 -15.548 -20.633 735 1HZ LYS 31 1HZ LYS 31 -4.459 -15.940 -20.976 736 2HZ LYS 31 2HZ LYS 31 -4.575 -14.638 -21.980 737 3HZ LYS 31 3HZ LYS 31 -3.659 -15.933 -22.417 738 H ILE 32 H ILE 32 -1.444 -10.365 -15.235 739 HA ILE 32 HA ILE 32 -2.563 -7.870 -16.371 740 HB ILE 32 HB ILE 32 -1.942 -8.761 -13.549 741 1HG1 ILE 32 1HG1 ILE 32 -4.530 -7.677 -14.762 742 2HG1 ILE 32 2HG1 ILE 32 -4.097 -9.381 -14.921 743 1HG2 ILE 32 1HG2 ILE 32 -1.261 -6.452 -13.575 744 2HG2 ILE 32 2HG2 ILE 32 -2.607 -5.989 -14.624 745 3HG2 ILE 32 3HG2 ILE 32 -2.905 -6.438 -12.938 746 1HD1 ILE 32 1HD1 ILE 32 -3.901 -9.565 -12.477 747 2HD1 ILE 32 2HD1 ILE 32 -4.442 -7.883 -12.295 748 3HD1 ILE 32 3HD1 ILE 32 -5.539 -9.079 -13.001 749 H LEU 33 H LEU 33 0.469 -9.180 -14.946 750 HA LEU 33 HA LEU 33 1.696 -6.656 -14.831 751 1HB LEU 33 1HB LEU 33 3.484 -7.683 -14.075 752 2HB LEU 33 2HB LEU 33 2.184 -8.848 -13.662 753 HG LEU 33 HG LEU 33 2.976 -10.364 -15.188 754 1HD1 LEU 33 1HD1 LEU 33 3.889 -9.394 -17.062 755 2HD1 LEU 33 2HD1 LEU 33 4.805 -8.183 -16.099 756 3HD1 LEU 33 3HD1 LEU 33 5.333 -9.892 -16.188 757 1HD2 LEU 33 1HD2 LEU 33 5.158 -9.071 -13.517 758 2HD2 LEU 33 2HD2 LEU 33 3.935 -10.229 -12.938 759 3HD2 LEU 33 3HD2 LEU 33 5.190 -10.758 -14.067 760 H GLU 34 H GLU 34 1.456 -9.047 -17.425 761 HA GLU 34 HA GLU 34 3.250 -7.758 -19.147 762 1HB GLU 34 1HB GLU 34 2.144 -10.098 -19.348 763 2HB GLU 34 2HB GLU 34 0.747 -9.284 -20.030 764 1HG GLU 34 1HG GLU 34 2.198 -8.313 -21.829 765 2HG GLU 34 2HG GLU 34 3.565 -9.238 -21.185 766 H ASP 35 H ASP 35 -0.316 -7.556 -18.963 767 HA ASP 35 HA ASP 35 -0.677 -5.792 -21.151 768 1HB ASP 35 1HB ASP 35 -2.521 -6.995 -19.989 769 2HB ASP 35 2HB ASP 35 -2.348 -5.860 -18.626 770 H GLU 36 H GLU 36 -0.143 -5.023 -17.676 771 HA GLU 36 HA GLU 36 -0.307 -2.200 -17.861 772 1HB GLU 36 1HB GLU 36 1.427 -3.982 -16.109 773 2HB GLU 36 2HB GLU 36 1.206 -2.241 -15.882 774 1HG GLU 36 1HG GLU 36 -1.424 -3.439 -16.090 775 2HG GLU 36 2HG GLU 36 -0.458 -4.466 -15.034 776 H GLU 37 H GLU 37 2.432 -4.434 -18.586 777 HA GLU 37 HA GLU 37 4.448 -2.583 -18.889 778 1HB GLU 37 1HB GLU 37 4.096 -5.317 -19.067 779 2HB GLU 37 2HB GLU 37 4.251 -4.993 -20.773 780 1HG GLU 37 1HG GLU 37 6.201 -3.958 -18.660 781 2HG GLU 37 2HG GLU 37 6.247 -5.603 -19.287 782 H LYS 38 H LYS 38 1.989 -3.497 -21.325 783 HA LYS 38 HA LYS 38 3.186 -1.875 -23.410 784 1HB LYS 38 1HB LYS 38 1.702 -3.821 -23.779 785 2HB LYS 38 2HB LYS 38 0.347 -2.934 -23.064 786 1HG LYS 38 1HG LYS 38 0.395 -1.275 -24.857 787 2HG LYS 38 2HG LYS 38 1.922 -1.925 -25.487 788 1HD LYS 38 1HD LYS 38 0.818 -4.038 -26.082 789 2HD LYS 38 2HD LYS 38 -0.717 -3.463 -25.394 790 1HE LYS 38 1HE LYS 38 -0.827 -1.647 -27.055 791 2HE LYS 38 2HE LYS 38 0.770 -2.088 -27.692 792 1HZ LYS 38 1HZ LYS 38 -0.127 -4.179 -28.370 793 2HZ LYS 38 2HZ LYS 38 -1.612 -3.802 -27.763 794 3HZ LYS 38 3HZ LYS 38 -0.997 -2.947 -29.033 795 H HIS 39 H HIS 39 0.627 -1.212 -20.997 796 HA HIS 39 HA HIS 39 -0.111 1.345 -22.083 797 1HB HIS 39 1HB HIS 39 -0.165 0.188 -19.278 798 2HB HIS 39 2HB HIS 39 -0.788 1.782 -19.656 799 HD1 HIS 39 HD1 HIS 39 -2.605 1.529 -22.012 800 HD2 HIS 39 HD2 HIS 39 -2.028 -1.650 -19.311 801 HE1 HIS 39 HE1 HIS 39 -4.641 -0.027 -22.257 802 HE2 HIS 39 HE2 HIS 39 -4.272 -1.951 -20.591 803 H ILE 40 H ILE 40 2.448 0.310 -19.889 804 HA ILE 40 HA ILE 40 3.356 2.958 -19.139 805 HB ILE 40 HB ILE 40 4.706 0.237 -18.957 806 1HG1 ILE 40 1HG1 ILE 40 3.313 1.873 -16.809 807 2HG1 ILE 40 2HG1 ILE 40 2.409 0.719 -17.717 808 1HG2 ILE 40 1HG2 ILE 40 6.337 2.151 -18.750 809 2HG2 ILE 40 2HG2 ILE 40 5.282 2.908 -17.541 810 3HG2 ILE 40 3HG2 ILE 40 6.099 1.383 -17.186 811 1HD1 ILE 40 1HD1 ILE 40 3.984 -1.097 -17.164 812 2HD1 ILE 40 2HD1 ILE 40 4.835 -0.026 -16.045 813 3HD1 ILE 40 3HD1 ILE 40 3.132 -0.439 -15.755 814 H GLU 41 H GLU 41 4.460 0.431 -21.407 815 HA GLU 41 HA GLU 41 6.530 1.667 -22.676 816 1HB GLU 41 1HB GLU 41 5.690 -0.639 -23.073 817 2HB GLU 41 2HB GLU 41 4.377 0.014 -24.062 818 1HG GLU 41 1HG GLU 41 7.120 0.893 -24.832 819 2HG GLU 41 2HG GLU 41 6.765 -0.830 -25.018 820 H TRP 42 H TRP 42 3.013 2.394 -23.388 821 HA TRP 42 HA TRP 42 3.495 3.994 -25.616 822 1HB TRP 42 1HB TRP 42 1.331 3.241 -24.398 823 2HB TRP 42 2HB TRP 42 1.485 4.720 -23.486 824 HD1 TRP 42 HD1 TRP 42 0.977 3.519 -27.067 825 HE1 TRP 42 HE1 TRP 42 -0.206 5.436 -28.487 826 HE3 TRP 42 HE3 TRP 42 1.118 7.115 -23.596 827 HZ2 TRP 42 HZ2 TRP 42 -0.864 8.230 -28.053 828 HZ3 TRP 42 HZ3 TRP 42 0.215 9.417 -24.040 829 HH2 TRP 42 HH2 TRP 42 -0.668 9.991 -26.308 830 H LEU 43 H LEU 43 3.895 4.797 -22.188 831 HA LEU 43 HA LEU 43 4.457 7.620 -22.588 832 1HB LEU 43 1HB LEU 43 5.050 5.767 -20.242 833 2HB LEU 43 2HB LEU 43 5.451 7.464 -20.280 834 HG LEU 43 HG LEU 43 2.736 7.462 -21.011 835 1HD1 LEU 43 1HD1 LEU 43 2.541 5.101 -20.334 836 2HD1 LEU 43 2HD1 LEU 43 3.241 5.462 -18.750 837 3HD1 LEU 43 3HD1 LEU 43 1.663 6.136 -19.192 838 1HD2 LEU 43 1HD2 LEU 43 4.135 7.900 -18.341 839 2HD2 LEU 43 2HD2 LEU 43 3.812 9.118 -19.580 840 3HD2 LEU 43 3HD2 LEU 43 2.462 8.391 -18.685 841 H GLU 44 H GLU 44 6.348 4.893 -23.395 842 HA GLU 44 HA GLU 44 8.872 6.495 -23.377 843 1HB GLU 44 1HB GLU 44 8.297 3.516 -23.616 844 2HB GLU 44 2HB GLU 44 9.851 4.202 -24.074 845 1HG GLU 44 1HG GLU 44 8.860 4.993 -21.377 846 2HG GLU 44 2HG GLU 44 9.303 3.287 -21.575 847 H THR 45 H THR 45 6.254 5.949 -25.276 848 HA THR 45 HA THR 45 7.800 5.880 -27.828 849 HB THR 45 HB THR 45 5.666 4.338 -26.937 850 HG1 THR 45 HG1 THR 45 7.048 3.750 -28.518 851 1HG2 THR 45 1HG2 THR 45 3.995 6.133 -27.319 852 2HG2 THR 45 2HG2 THR 45 4.537 6.243 -29.011 853 3HG2 THR 45 3HG2 THR 45 3.802 4.748 -28.393 854 H ILE 46 H ILE 46 5.266 7.595 -26.054 855 HA ILE 46 HA ILE 46 4.500 9.556 -27.670 856 HB ILE 46 HB ILE 46 3.763 9.126 -25.394 857 1HG1 ILE 46 1HG1 ILE 46 4.142 11.985 -25.004 858 2HG1 ILE 46 2HG1 ILE 46 3.966 11.648 -26.735 859 1HG2 ILE 46 1HG2 ILE 46 6.013 9.023 -24.298 860 2HG2 ILE 46 2HG2 ILE 46 6.037 10.794 -24.282 861 3HG2 ILE 46 3HG2 ILE 46 4.761 9.926 -23.425 862 1HD1 ILE 46 1HD1 ILE 46 1.971 10.328 -26.327 863 2HD1 ILE 46 2HD1 ILE 46 2.098 10.675 -24.576 864 3HD1 ILE 46 3HD1 ILE 46 1.777 11.995 -25.733 865 H LEU 47 H LEU 47 5.489 10.941 -28.989 866 HA LEU 47 HA LEU 47 8.113 12.149 -28.327 867 1HB LEU 47 1HB LEU 47 7.919 13.188 -30.533 868 2HB LEU 47 2HB LEU 47 7.937 11.432 -30.579 869 HG LEU 47 HG LEU 47 5.210 12.696 -30.532 870 1HD1 LEU 47 1HD1 LEU 47 6.404 14.222 -32.037 871 2HD1 LEU 47 2HD1 LEU 47 7.036 12.843 -32.965 872 3HD1 LEU 47 3HD1 LEU 47 5.292 13.187 -32.950 873 1HD2 LEU 47 1HD2 LEU 47 6.448 10.505 -32.269 874 2HD2 LEU 47 2HD2 LEU 47 5.566 10.194 -30.769 875 3HD2 LEU 47 3HD2 LEU 47 4.725 10.916 -32.148 876 H GLY 48 H GLY 48 6.556 12.845 -26.351 877 1HA GLY 48 1HA GLY 48 5.622 14.646 -25.220 878 2HA GLY 48 2HA GLY 48 6.276 15.696 -26.494 879 1HN NH2 49 1HN NH2 49 4.377 17.029 -26.617 880 2HN NH2 49 2HN NH2 49 2.834 16.407 -27.263 Start of MODEL 14 1 1H ACE 0 H1 ACE 0 -1.813 20.178 -2.869 2 2H ACE 0 H2 ACE 0 -1.704 18.517 -2.240 3 3H ACE 0 H3 ACE 0 -2.950 18.939 -3.433 4 H ASP 1 H ASP 1 0.490 19.837 -3.381 5 HA ASP 1 HA ASP 1 1.069 19.663 -6.049 6 1HB ASP 1 1HB ASP 1 2.658 20.532 -4.397 7 2HB ASP 1 2HB ASP 1 2.885 18.914 -3.709 8 H TYR 2 H TYR 2 1.601 16.985 -3.720 9 HA TYR 2 HA TYR 2 2.574 15.128 -5.490 10 1HB TYR 2 1HB TYR 2 1.072 14.994 -2.858 11 2HB TYR 2 2HB TYR 2 1.483 13.542 -3.725 12 HD1 TYR 2 HD1 TYR 2 2.653 15.616 -1.203 13 HD2 TYR 2 HD2 TYR 2 4.004 13.395 -4.633 14 HE1 TYR 2 HE1 TYR 2 4.851 15.267 -0.127 15 HE2 TYR 2 HE2 TYR 2 6.108 12.875 -3.464 16 HH TYR 2 HH TYR 2 6.942 14.356 -0.303 17 H LEU 3 H LEU 3 -0.812 16.150 -5.090 18 HA LEU 3 HA LEU 3 -1.933 13.638 -5.889 19 1HB LEU 3 1HB LEU 3 -3.227 16.388 -5.973 20 2HB LEU 3 2HB LEU 3 -4.050 14.829 -5.956 21 HG LEU 3 HG LEU 3 -2.408 16.004 -3.659 22 1HD1 LEU 3 1HD1 LEU 3 -4.580 17.121 -4.068 23 2HD1 LEU 3 2HD1 LEU 3 -5.403 15.551 -3.957 24 3HD1 LEU 3 3HD1 LEU 3 -4.569 16.224 -2.539 25 1HD2 LEU 3 1HD2 LEU 3 -3.991 13.401 -3.829 26 2HD2 LEU 3 2HD2 LEU 3 -2.234 13.554 -3.603 27 3HD2 LEU 3 3HD2 LEU 3 -3.337 14.108 -2.337 28 H ARG 4 H ARG 4 -0.329 16.045 -7.747 29 HA ARG 4 HA ARG 4 -1.772 15.434 -10.230 30 1HB ARG 4 1HB ARG 4 1.003 16.612 -9.804 31 2HB ARG 4 2HB ARG 4 0.092 16.523 -11.320 32 1HG ARG 4 1HG ARG 4 -1.777 17.768 -9.774 33 2HG ARG 4 2HG ARG 4 -0.319 18.318 -8.937 34 1HD ARG 4 1HD ARG 4 -0.995 18.578 -11.892 35 2HD ARG 4 2HD ARG 4 -0.981 19.905 -10.712 36 HE ARG 4 HE ARG 4 1.552 19.005 -10.482 37 1HH1 ARG 4 1HH2 ARG 4 -0.356 19.830 -13.337 38 2HH1 ARG 4 2HH2 ARG 4 1.016 20.262 -14.317 39 1HH2 ARG 4 1HH1 ARG 4 3.351 19.599 -11.718 40 2HH2 ARG 4 2HH1 ARG 4 3.184 20.148 -13.361 41 H GLU 5 H GLU 5 0.612 13.865 -8.263 42 HA GLU 5 HA GLU 5 1.588 12.076 -10.441 43 1HB GLU 5 1HB GLU 5 2.235 12.104 -7.461 44 2HB GLU 5 2HB GLU 5 3.111 11.236 -8.721 45 1HG GLU 5 1HG GLU 5 3.968 13.310 -9.662 46 2HG GLU 5 2HG GLU 5 2.980 14.284 -8.561 47 H LEU 6 H LEU 6 1.712 9.745 -9.191 48 HA LEU 6 HA LEU 6 0.560 7.903 -8.717 49 1HB LEU 6 1HB LEU 6 -0.789 9.757 -6.781 50 2HB LEU 6 2HB LEU 6 -1.120 8.020 -6.860 51 HG LEU 6 HG LEU 6 1.605 9.184 -6.286 52 1HD1 LEU 6 1HD1 LEU 6 -0.133 9.506 -4.515 53 2HD1 LEU 6 2HD1 LEU 6 -0.542 7.783 -4.603 54 3HD1 LEU 6 3HD1 LEU 6 1.034 8.289 -3.997 55 1HD2 LEU 6 1HD2 LEU 6 0.613 6.329 -6.527 56 2HD2 LEU 6 2HD2 LEU 6 1.988 7.075 -7.367 57 3HD2 LEU 6 3HD2 LEU 6 2.091 6.779 -5.651 58 H LEU 7 H LEU 7 -0.495 9.600 -10.975 59 HA LEU 7 HA LEU 7 -2.727 7.880 -11.430 60 1HB LEU 7 1HB LEU 7 -4.395 9.577 -12.064 61 2HB LEU 7 2HB LEU 7 -3.998 9.553 -10.361 62 HG LEU 7 HG LEU 7 -2.281 11.538 -11.203 63 1HD1 LEU 7 1HD1 LEU 7 -3.354 11.488 -13.543 64 2HD1 LEU 7 2HD1 LEU 7 -4.884 11.908 -12.764 65 3HD1 LEU 7 3HD1 LEU 7 -3.512 13.029 -12.686 66 1HD2 LEU 7 1HD2 LEU 7 -5.170 11.777 -10.299 67 2HD2 LEU 7 2HD2 LEU 7 -3.732 11.657 -9.262 68 3HD2 LEU 7 3HD2 LEU 7 -3.979 13.087 -10.281 69 H LYS 8 H LYS 8 -1.268 10.844 -12.811 70 HA LYS 8 HA LYS 8 -1.578 10.003 -15.419 71 1HB LYS 8 1HB LYS 8 -0.460 12.242 -14.064 72 2HB LYS 8 2HB LYS 8 0.866 11.650 -15.059 73 1HG LYS 8 1HG LYS 8 -1.955 12.209 -16.096 74 2HG LYS 8 2HG LYS 8 -0.654 13.406 -16.079 75 1HD LYS 8 1HD LYS 8 0.749 12.025 -17.523 76 2HD LYS 8 2HD LYS 8 -0.442 10.710 -17.516 77 1HE LYS 8 1HE LYS 8 -2.085 12.094 -18.662 78 2HE LYS 8 2HE LYS 8 -1.044 13.526 -18.540 79 1HZ LYS 8 1HZ LYS 8 0.534 12.451 -19.944 80 2HZ LYS 8 2HZ LYS 8 -0.392 11.090 -20.042 81 3HZ LYS 8 3HZ LYS 8 -0.934 12.505 -20.690 82 H LEU 9 H LEU 9 1.078 9.469 -13.186 83 HA LEU 9 HA LEU 9 2.766 7.984 -15.017 84 1HB LEU 9 1HB LEU 9 2.562 7.947 -11.971 85 2HB LEU 9 2HB LEU 9 3.839 7.158 -12.899 86 HG LEU 9 HG LEU 9 3.303 10.170 -12.949 87 1HD1 LEU 9 1HD1 LEU 9 4.036 9.425 -10.714 88 2HD1 LEU 9 2HD1 LEU 9 5.422 8.583 -11.438 89 3HD1 LEU 9 3HD1 LEU 9 5.305 10.352 -11.529 90 1HD2 LEU 9 1HD2 LEU 9 5.617 8.482 -14.018 91 2HD2 LEU 9 2HD2 LEU 9 4.459 9.413 -14.993 92 3HD2 LEU 9 3HD2 LEU 9 5.598 10.253 -13.941 93 H GLU 10 H GLU 10 0.038 7.144 -12.872 94 HA GLU 10 HA GLU 10 0.442 4.302 -13.036 95 1HB GLU 10 1HB GLU 10 -2.108 5.819 -12.485 96 2HB GLU 10 2HB GLU 10 -1.703 4.142 -12.115 97 1HG GLU 10 1HG GLU 10 -0.437 6.611 -10.827 98 2HG GLU 10 2HG GLU 10 -1.635 5.591 -10.062 99 H LEU 11 H LEU 11 -1.333 6.611 -15.082 100 HA LEU 11 HA LEU 11 -2.793 4.632 -16.534 101 1HB LEU 11 1HB LEU 11 -3.091 7.104 -16.788 102 2HB LEU 11 2HB LEU 11 -1.488 7.219 -17.525 103 HG LEU 11 HG LEU 11 -2.271 5.811 -19.440 104 1HD1 LEU 11 1HD1 LEU 11 -4.102 4.549 -18.377 105 2HD1 LEU 11 2HD1 LEU 11 -4.988 6.059 -18.063 106 3HD1 LEU 11 3HD1 LEU 11 -4.731 5.496 -19.727 107 1HD2 LEU 11 1HD2 LEU 11 -3.939 8.290 -18.870 108 2HD2 LEU 11 2HD2 LEU 11 -2.296 8.266 -19.550 109 3HD2 LEU 11 3HD2 LEU 11 -3.643 7.566 -20.466 110 H GLN 12 H GLN 12 0.634 5.581 -16.833 111 HA GLN 12 HA GLN 12 1.104 4.191 -19.275 112 1HB GLN 12 1HB GLN 12 3.291 4.800 -18.977 113 2HB GLN 12 2HB GLN 12 2.619 5.852 -17.732 114 1HG GLN 12 1HG GLN 12 3.111 3.884 -16.086 115 2HG GLN 12 2HG GLN 12 4.025 3.167 -17.409 116 1HE2 GLN 12 2HE2 GLN 12 3.855 5.724 -15.057 117 2HE2 GLN 12 1HE2 GLN 12 5.521 6.291 -15.251 118 H LEU 13 H LEU 13 0.646 3.026 -16.040 119 HA LEU 13 HA LEU 13 2.145 0.571 -16.275 120 1HB LEU 13 1HB LEU 13 -0.131 1.195 -14.352 121 2HB LEU 13 2HB LEU 13 1.120 -0.032 -14.193 122 HG LEU 13 HG LEU 13 1.648 2.977 -14.195 123 1HD1 LEU 13 1HD1 LEU 13 0.242 2.212 -12.301 124 2HD1 LEU 13 2HD1 LEU 13 1.378 0.914 -11.981 125 3HD1 LEU 13 3HD1 LEU 13 1.872 2.629 -11.755 126 1HD2 LEU 13 1HD2 LEU 13 3.443 0.590 -13.682 127 2HD2 LEU 13 2HD2 LEU 13 3.605 1.790 -14.967 128 3HD2 LEU 13 3HD2 LEU 13 3.849 2.280 -13.296 129 H ILE 14 H ILE 14 -1.341 1.493 -16.238 130 HA ILE 14 HA ILE 14 -2.329 -1.108 -16.822 131 HB ILE 14 HB ILE 14 -3.371 1.731 -17.058 132 1HG1 ILE 14 1HG1 ILE 14 -4.952 0.960 -15.428 133 2HG1 ILE 14 2HG1 ILE 14 -4.555 -0.740 -15.691 134 1HG2 ILE 14 1HG2 ILE 14 -4.405 0.659 -19.037 135 2HG2 ILE 14 2HG2 ILE 14 -4.867 -0.753 -18.055 136 3HG2 ILE 14 3HG2 ILE 14 -5.596 0.829 -17.740 137 1HD1 ILE 14 1HD1 ILE 14 -2.410 -0.461 -14.563 138 2HD1 ILE 14 2HD1 ILE 14 -2.700 1.297 -14.430 139 3HD1 ILE 14 3HD1 ILE 14 -3.734 0.136 -13.563 140 H LYS 15 H LYS 15 -1.230 1.449 -19.097 141 HA LYS 15 HA LYS 15 -1.593 -0.064 -21.441 142 1HB LYS 15 1HB LYS 15 -0.699 2.501 -20.797 143 2HB LYS 15 2HB LYS 15 0.793 1.721 -21.296 144 1HG LYS 15 1HG LYS 15 -0.142 2.759 -23.215 145 2HG LYS 15 2HG LYS 15 -0.404 1.019 -23.429 146 1HD LYS 15 1HD LYS 15 -2.775 1.318 -22.609 147 2HD LYS 15 2HD LYS 15 -2.463 3.043 -22.375 148 1HE LYS 15 1HE LYS 15 -2.109 3.351 -24.778 149 2HE LYS 15 2HE LYS 15 -2.203 1.601 -25.058 150 1HZ LYS 15 1HZ LYS 15 -4.463 1.650 -24.323 151 2HZ LYS 15 2HZ LYS 15 -4.394 3.273 -24.044 152 3HZ LYS 15 3HZ LYS 15 -4.250 2.693 -25.580 153 H GLN 16 H GLN 16 1.286 0.143 -19.256 154 HA GLN 16 HA GLN 16 2.893 -1.617 -20.900 155 1HB GLN 16 1HB GLN 16 3.083 -0.776 -17.986 156 2HB GLN 16 2HB GLN 16 4.177 -1.959 -18.709 157 1HG GLN 16 1HG GLN 16 4.912 -0.356 -20.402 158 2HG GLN 16 2HG GLN 16 3.811 0.870 -19.755 159 1HE2 GLN 16 2HE2 GLN 16 5.569 2.334 -19.230 160 2HE2 GLN 16 1HE2 GLN 16 6.656 1.969 -17.906 161 H TYR 17 H TYR 17 0.481 -2.157 -18.442 162 HA TYR 17 HA TYR 17 1.072 -4.907 -17.898 163 1HB TYR 17 1HB TYR 17 -1.169 -2.964 -17.301 164 2HB TYR 17 2HB TYR 17 -1.526 -4.655 -17.217 165 HD1 TYR 17 HD1 TYR 17 -0.261 -6.224 -15.755 166 HD2 TYR 17 HD2 TYR 17 -0.401 -1.959 -15.240 167 HE1 TYR 17 HE1 TYR 17 0.204 -6.470 -13.321 168 HE2 TYR 17 HE2 TYR 17 0.321 -2.200 -12.899 169 HH TYR 17 HH TYR 17 1.188 -3.698 -11.332 170 H ARG 18 H ARG 18 -0.800 -3.169 -20.325 171 HA ARG 18 HA ARG 18 -2.079 -5.631 -21.306 172 1HB ARG 18 1HB ARG 18 -1.955 -2.852 -22.518 173 2HB ARG 18 2HB ARG 18 -2.731 -4.261 -23.258 174 1HG ARG 18 1HG ARG 18 -4.115 -4.507 -21.106 175 2HG ARG 18 2HG ARG 18 -3.476 -2.939 -20.627 176 1HD ARG 18 1HD ARG 18 -5.589 -2.517 -21.675 177 2HD ARG 18 2HD ARG 18 -4.345 -2.027 -22.848 178 HE ARG 18 HE ARG 18 -5.195 -4.809 -23.106 179 1HH1 ARG 18 1HH2 ARG 18 -6.025 -1.510 -24.020 180 2HH1 ARG 18 2HH2 ARG 18 -6.972 -1.971 -25.409 181 1HH2 ARG 18 1HH1 ARG 18 -6.458 -5.449 -24.862 182 2HH2 ARG 18 2HH1 ARG 18 -7.240 -4.281 -25.890 183 H GLU 19 H GLU 19 0.574 -3.507 -22.157 184 HA GLU 19 HA GLU 19 1.514 -4.850 -24.467 185 1HB GLU 19 1HB GLU 19 2.299 -2.620 -23.490 186 2HB GLU 19 2HB GLU 19 3.318 -3.576 -22.396 187 1HG GLU 19 1HG GLU 19 4.415 -4.636 -24.355 188 2HG GLU 19 2HG GLU 19 3.404 -3.665 -25.440 189 H ALA 20 H ALA 20 2.162 -5.453 -20.980 190 HA ALA 20 HA ALA 20 3.974 -7.654 -21.598 191 1HB ALA 20 1HB ALA 20 4.362 -6.295 -19.646 192 2HB ALA 20 2HB ALA 20 2.752 -6.703 -19.021 193 3HB ALA 20 3HB ALA 20 4.007 -7.964 -19.149 194 H LEU 21 H LEU 21 0.521 -7.361 -20.747 195 HA LEU 21 HA LEU 21 -0.215 -9.805 -19.911 196 1HB LEU 21 1HB LEU 21 -1.717 -7.870 -20.409 197 2HB LEU 21 2HB LEU 21 -1.660 -8.270 -22.122 198 HG LEU 21 HG LEU 21 -3.712 -8.837 -20.963 199 1HD1 LEU 21 1HD1 LEU 21 -3.043 -10.137 -22.990 200 2HD1 LEU 21 2HD1 LEU 21 -2.528 -11.452 -21.897 201 3HD1 LEU 21 3HD1 LEU 21 -4.207 -10.915 -21.900 202 1HD2 LEU 21 1HD2 LEU 21 -2.132 -10.959 -19.452 203 2HD2 LEU 21 2HD2 LEU 21 -2.805 -9.447 -18.795 204 3HD2 LEU 21 3HD2 LEU 21 -3.882 -10.720 -19.404 205 H GLU 22 H GLU 22 0.494 -8.996 -23.293 206 HA GLU 22 HA GLU 22 -0.349 -11.568 -24.279 207 1HB GLU 22 1HB GLU 22 0.823 -10.794 -26.423 208 2HB GLU 22 2HB GLU 22 -0.586 -9.875 -25.874 209 1HG GLU 22 1HG GLU 22 0.768 -8.100 -25.007 210 2HG GLU 22 2HG GLU 22 2.260 -9.041 -25.231 211 H TYR 23 H TYR 23 2.773 -10.166 -23.372 212 HA TYR 23 HA TYR 23 4.422 -12.388 -24.232 213 1HB TYR 23 1HB TYR 23 4.734 -9.912 -22.599 214 2HB TYR 23 2HB TYR 23 5.657 -11.270 -21.996 215 HD1 TYR 23 HD1 TYR 23 5.160 -9.051 -24.939 216 HD2 TYR 23 HD2 TYR 23 7.560 -12.159 -23.154 217 HE1 TYR 23 HE1 TYR 23 6.904 -8.689 -26.653 218 HE2 TYR 23 HE2 TYR 23 9.313 -11.785 -24.871 219 HH TYR 23 HH TYR 23 8.961 -9.342 -27.448 220 H VAL 24 H VAL 24 2.639 -11.521 -21.303 221 HA VAL 24 HA VAL 24 3.640 -13.785 -19.767 222 HB VAL 24 HB VAL 24 1.465 -11.721 -19.277 223 1HG1 VAL 24 1HG1 VAL 24 0.893 -13.660 -17.935 224 2HG1 VAL 24 2HG1 VAL 24 2.578 -13.872 -17.418 225 3HG1 VAL 24 3HG1 VAL 24 1.642 -12.471 -16.868 226 1HG2 VAL 24 1HG2 VAL 24 4.255 -12.099 -18.104 227 2HG2 VAL 24 2HG2 VAL 24 3.864 -10.908 -19.357 228 3HG2 VAL 24 3HG2 VAL 24 3.161 -10.758 -17.747 229 H LYS 25 H LYS 25 0.910 -13.211 -21.921 230 HA LYS 25 HA LYS 25 -0.510 -14.535 -22.869 231 1HB LYS 25 1HB LYS 25 2.026 -15.657 -22.879 232 2HB LYS 25 2HB LYS 25 1.044 -17.005 -22.291 233 1HG LYS 25 1HG LYS 25 -0.480 -16.609 -24.210 234 2HG LYS 25 2HG LYS 25 0.567 -15.312 -24.809 235 1HD LYS 25 1HD LYS 25 1.871 -17.942 -24.176 236 2HD LYS 25 2HD LYS 25 0.850 -17.895 -25.624 237 1HE LYS 25 1HE LYS 25 3.098 -15.892 -25.088 238 2HE LYS 25 2HE LYS 25 3.339 -17.401 -25.983 239 1HZ LYS 25 1HZ LYS 25 1.688 -16.688 -27.548 240 2HZ LYS 25 2HZ LYS 25 1.468 -15.270 -26.735 241 3HZ LYS 25 3HZ LYS 25 2.915 -15.592 -27.453 242 H LEU 26 H LEU 26 -0.980 -14.119 -20.016 243 HA LEU 26 HA LEU 26 -2.675 -16.501 -19.405 244 1HB LEU 26 1HB LEU 26 -0.579 -16.536 -18.089 245 2HB LEU 26 2HB LEU 26 -0.913 -14.891 -17.549 246 HG LEU 26 HG LEU 26 -3.079 -15.793 -16.507 247 1HD1 LEU 26 1HD1 LEU 26 -3.155 -18.003 -17.655 248 2HD1 LEU 26 2HD1 LEU 26 -1.628 -18.447 -16.861 249 3HD1 LEU 26 3HD1 LEU 26 -3.087 -18.165 -15.892 250 1HD2 LEU 26 1HD2 LEU 26 -0.391 -16.755 -15.462 251 2HD2 LEU 26 2HD2 LEU 26 -1.074 -15.133 -15.232 252 3HD2 LEU 26 3HD2 LEU 26 -1.870 -16.538 -14.501 253 HA PRO 27 HA PRO 27 -5.360 -12.842 -19.349 254 1HB PRO 27 1HB PRO 27 -7.815 -14.026 -19.121 255 2HB PRO 27 2HB PRO 27 -6.831 -14.088 -20.605 256 1HG PRO 27 1HG PRO 27 -7.001 -16.188 -18.428 257 2HG PRO 27 2HG PRO 27 -7.191 -16.424 -20.190 258 1HD PRO 27 1HD PRO 27 -4.834 -16.877 -18.923 259 2HD PRO 27 2HD PRO 27 -4.856 -16.156 -20.560 260 H VAL 28 H VAL 28 -4.102 -14.081 -16.759 261 HA VAL 28 HA VAL 28 -6.092 -13.353 -14.704 262 HB VAL 28 HB VAL 28 -3.269 -14.341 -14.596 263 1HG1 VAL 28 1HG1 VAL 28 -3.482 -12.854 -12.727 264 2HG1 VAL 28 2HG1 VAL 28 -5.097 -13.483 -12.326 265 3HG1 VAL 28 3HG1 VAL 28 -3.653 -14.494 -12.105 266 1HG2 VAL 28 1HG2 VAL 28 -5.884 -15.587 -13.643 267 2HG2 VAL 28 2HG2 VAL 28 -5.023 -16.060 -15.122 268 3HG2 VAL 28 3HG2 VAL 28 -4.276 -16.329 -13.538 269 H LEU 29 H LEU 29 -3.121 -12.184 -16.365 270 HA LEU 29 HA LEU 29 -2.636 -10.063 -14.516 271 1HB LEU 29 1HB LEU 29 -1.570 -10.955 -17.157 272 2HB LEU 29 2HB LEU 29 -1.644 -9.213 -16.958 273 HG LEU 29 HG LEU 29 -0.024 -11.149 -15.311 274 1HD1 LEU 29 1HD1 LEU 29 0.777 -10.290 -17.547 275 2HD1 LEU 29 2HD1 LEU 29 0.651 -8.639 -16.926 276 3HD1 LEU 29 3HD1 LEU 29 1.798 -9.774 -16.189 277 1HD2 LEU 29 1HD2 LEU 29 -0.779 -8.264 -14.715 278 2HD2 LEU 29 2HD2 LEU 29 -0.715 -9.641 -13.591 279 3HD2 LEU 29 3HD2 LEU 29 0.776 -8.939 -14.192 280 H ALA 30 H ALA 30 -4.580 -10.389 -17.475 281 HA ALA 30 HA ALA 30 -5.196 -7.598 -17.548 282 1HB ALA 30 1HB ALA 30 -5.507 -8.984 -19.572 283 2HB ALA 30 2HB ALA 30 -6.729 -9.970 -18.731 284 3HB ALA 30 3HB ALA 30 -7.048 -8.261 -19.100 285 H LYS 31 H LYS 31 -6.367 -10.200 -15.566 286 HA LYS 31 HA LYS 31 -8.839 -8.742 -14.912 287 1HB LYS 31 1HB LYS 31 -8.225 -11.387 -14.811 288 2HB LYS 31 2HB LYS 31 -7.868 -10.939 -13.132 289 1HG LYS 31 1HG LYS 31 -10.148 -9.879 -12.995 290 2HG LYS 31 2HG LYS 31 -10.442 -10.363 -14.680 291 1HD LYS 31 1HD LYS 31 -10.079 -12.762 -14.019 292 2HD LYS 31 2HD LYS 31 -9.952 -12.236 -12.323 293 1HE LYS 31 1HE LYS 31 -12.248 -11.239 -12.486 294 2HE LYS 31 2HE LYS 31 -12.360 -11.794 -14.168 295 1HZ LYS 31 1HZ LYS 31 -12.138 -14.037 -13.376 296 2HZ LYS 31 2HZ LYS 31 -12.058 -13.517 -11.812 297 3HZ LYS 31 3HZ LYS 31 -13.437 -13.293 -12.686 298 H ILE 32 H ILE 32 -5.723 -9.494 -13.487 299 HA ILE 32 HA ILE 32 -5.963 -8.024 -11.047 300 HB ILE 32 HB ILE 32 -3.503 -8.580 -12.773 301 1HG1 ILE 32 1HG1 ILE 32 -4.343 -9.786 -10.101 302 2HG1 ILE 32 2HG1 ILE 32 -4.789 -10.513 -11.650 303 1HG2 ILE 32 1HG2 ILE 32 -2.973 -6.615 -11.461 304 2HG2 ILE 32 2HG2 ILE 32 -3.829 -7.267 -10.063 305 3HG2 ILE 32 3HG2 ILE 32 -2.281 -7.959 -10.561 306 1HD1 ILE 32 1HD1 ILE 32 -2.399 -10.733 -12.259 307 2HD1 ILE 32 2HD1 ILE 32 -1.932 -10.091 -10.674 308 3HD1 ILE 32 3HD1 ILE 32 -2.826 -11.610 -10.781 309 H LEU 33 H LEU 33 -4.726 -7.012 -14.249 310 HA LEU 33 HA LEU 33 -4.066 -4.442 -13.400 311 1HB LEU 33 1HB LEU 33 -3.418 -3.975 -15.558 312 2HB LEU 33 2HB LEU 33 -3.251 -5.720 -15.404 313 HG LEU 33 HG LEU 33 -5.558 -5.866 -16.460 314 1HD1 LEU 33 1HD1 LEU 33 -6.646 -3.895 -16.637 315 2HD1 LEU 33 2HD1 LEU 33 -5.144 -2.946 -16.568 316 3HD1 LEU 33 3HD1 LEU 33 -5.680 -3.698 -18.093 317 1HD2 LEU 33 1HD2 LEU 33 -3.381 -4.602 -18.152 318 2HD2 LEU 33 2HD2 LEU 33 -3.264 -6.274 -17.533 319 3HD2 LEU 33 3HD2 LEU 33 -4.552 -5.819 -18.670 320 H GLU 34 H GLU 34 -7.113 -5.806 -14.489 321 HA GLU 34 HA GLU 34 -8.540 -3.383 -14.968 322 1HB GLU 34 1HB GLU 34 -9.129 -5.860 -15.506 323 2HB GLU 34 2HB GLU 34 -9.725 -5.982 -13.878 324 1HG GLU 34 1HG GLU 34 -10.648 -3.905 -15.938 325 2HG GLU 34 2HG GLU 34 -11.472 -5.434 -15.615 326 H ASP 35 H ASP 35 -8.137 -5.461 -12.136 327 HA ASP 35 HA ASP 35 -9.565 -3.890 -10.263 328 1HB ASP 35 1HB ASP 35 -8.507 -6.266 -10.023 329 2HB ASP 35 2HB ASP 35 -7.060 -5.406 -9.470 330 H GLU 36 H GLU 36 -6.057 -3.812 -11.076 331 HA GLU 36 HA GLU 36 -5.344 -1.603 -9.489 332 1HB GLU 36 1HB GLU 36 -4.269 -2.419 -12.227 333 2HB GLU 36 2HB GLU 36 -3.518 -1.236 -11.159 334 1HG GLU 36 1HG GLU 36 -4.018 -4.103 -10.252 335 2HG GLU 36 2HG GLU 36 -2.532 -3.567 -11.042 336 H GLU 37 H GLU 37 -6.608 -1.509 -12.952 337 HA GLU 37 HA GLU 37 -6.528 1.146 -13.288 338 1HB GLU 37 1HB GLU 37 -7.382 -0.969 -14.703 339 2HB GLU 37 2HB GLU 37 -8.982 -0.493 -14.151 340 1HG GLU 37 1HG GLU 37 -7.088 1.517 -15.341 341 2HG GLU 37 2HG GLU 37 -7.825 0.296 -16.377 342 H LYS 38 H LYS 38 -9.021 -0.656 -11.464 343 HA LYS 38 HA LYS 38 -10.593 1.673 -10.838 344 1HB LYS 38 1HB LYS 38 -11.188 -0.866 -10.710 345 2HB LYS 38 2HB LYS 38 -10.319 -0.857 -9.176 346 1HG LYS 38 1HG LYS 38 -12.544 -0.487 -8.499 347 2HG LYS 38 2HG LYS 38 -11.874 1.149 -8.530 348 1HD LYS 38 1HD LYS 38 -12.780 1.195 -11.026 349 2HD LYS 38 2HD LYS 38 -13.722 -0.215 -10.524 350 1HE LYS 38 1HE LYS 38 -14.621 1.220 -8.595 351 2HE LYS 38 2HE LYS 38 -13.756 2.595 -9.315 352 1HZ LYS 38 1HZ LYS 38 -15.031 2.264 -11.309 353 2HZ LYS 38 2HZ LYS 38 -15.873 1.030 -10.608 354 3HZ LYS 38 3HZ LYS 38 -16.006 2.565 -10.016 355 H HIS 39 H HIS 39 -8.005 0.026 -8.945 356 HA HIS 39 HA HIS 39 -8.221 1.802 -6.705 357 1HB HIS 39 1HB HIS 39 -6.068 -0.020 -7.762 358 2HB HIS 39 2HB HIS 39 -5.632 1.190 -6.557 359 HD1 HIS 39 HD1 HIS 39 -6.792 1.011 -4.140 360 HD2 HIS 39 HD2 HIS 39 -7.667 -2.046 -6.895 361 HE1 HIS 39 HE1 HIS 39 -7.957 -0.840 -2.802 362 HE2 HIS 39 HE2 HIS 39 -8.457 -2.728 -4.500 363 H ILE 40 H ILE 40 -6.474 2.102 -9.747 364 HA ILE 40 HA ILE 40 -5.107 4.572 -9.036 365 HB ILE 40 HB ILE 40 -5.495 2.940 -11.553 366 1HG1 ILE 40 1HG1 ILE 40 -2.866 3.806 -10.329 367 2HG1 ILE 40 2HG1 ILE 40 -3.763 2.562 -9.500 368 1HG2 ILE 40 1HG2 ILE 40 -5.470 5.268 -12.349 369 2HG2 ILE 40 2HG2 ILE 40 -4.043 5.607 -11.347 370 3HG2 ILE 40 3HG2 ILE 40 -3.947 4.474 -12.723 371 1HD1 ILE 40 1HD1 ILE 40 -3.773 1.119 -11.420 372 2HD1 ILE 40 2HD1 ILE 40 -2.985 2.351 -12.419 373 3HD1 ILE 40 3HD1 ILE 40 -2.112 1.614 -11.054 374 H GLU 41 H GLU 41 -8.121 3.622 -10.741 375 HA GLU 41 HA GLU 41 -8.886 6.085 -11.654 376 1HB GLU 41 1HB GLU 41 -10.167 3.851 -11.924 377 2HB GLU 41 2HB GLU 41 -10.859 4.192 -10.326 378 1HG GLU 41 1HG GLU 41 -11.367 6.560 -11.565 379 2HG GLU 41 2HG GLU 41 -11.329 5.495 -12.971 380 H TRP 42 H TRP 42 -9.191 4.799 -8.280 381 HA TRP 42 HA TRP 42 -10.730 6.794 -7.161 382 1HB TRP 42 1HB TRP 42 -9.605 4.719 -6.146 383 2HB TRP 42 2HB TRP 42 -8.182 5.719 -5.909 384 HD1 TRP 42 HD1 TRP 42 -11.848 5.571 -4.932 385 HE1 TRP 42 HE1 TRP 42 -12.179 6.746 -2.610 386 HE3 TRP 42 HE3 TRP 42 -7.196 7.350 -4.356 387 HZ2 TRP 42 HZ2 TRP 42 -10.508 8.212 -0.728 388 HZ3 TRP 42 HZ3 TRP 42 -6.517 8.630 -2.285 389 HH2 TRP 42 HH2 TRP 42 -8.163 8.954 -0.445 390 H LEU 43 H LEU 43 -7.261 6.920 -7.952 391 HA LEU 43 HA LEU 43 -6.848 9.553 -6.809 392 1HB LEU 43 1HB LEU 43 -5.238 7.983 -8.854 393 2HB LEU 43 2HB LEU 43 -4.727 9.486 -8.115 394 HG LEU 43 HG LEU 43 -5.538 7.558 -6.044 395 1HD1 LEU 43 1HD1 LEU 43 -4.611 5.659 -6.752 396 2HD1 LEU 43 2HD1 LEU 43 -3.940 6.394 -8.202 397 3HD1 LEU 43 3HD1 LEU 43 -3.035 6.463 -6.697 398 1HD2 LEU 43 1HD2 LEU 43 -3.039 9.153 -6.654 399 2HD2 LEU 43 2HD2 LEU 43 -4.350 9.593 -5.560 400 3HD2 LEU 43 3HD2 LEU 43 -3.294 8.220 -5.166 401 H GLU 44 H GLU 44 -7.798 8.385 -10.102 402 HA GLU 44 HA GLU 44 -7.380 11.084 -11.159 403 1HB GLU 44 1HB GLU 44 -7.696 10.302 -13.219 404 2HB GLU 44 2HB GLU 44 -7.021 8.897 -12.377 405 1HG GLU 44 1HG GLU 44 -9.458 8.153 -12.075 406 2HG GLU 44 2HG GLU 44 -9.894 9.454 -13.177 407 H THR 45 H THR 45 -9.643 10.095 -9.056 408 HA THR 45 HA THR 45 -11.946 11.490 -10.385 409 HB THR 45 HB THR 45 -11.635 8.856 -9.974 410 HG1 THR 45 HG1 THR 45 -13.740 8.693 -10.495 411 1HG2 THR 45 1HG2 THR 45 -11.732 8.979 -7.521 412 2HG2 THR 45 2HG2 THR 45 -13.386 9.606 -7.643 413 3HG2 THR 45 3HG2 THR 45 -12.986 7.976 -8.244 414 H ILE 46 H ILE 46 -10.161 10.863 -7.445 415 HA ILE 46 HA ILE 46 -11.739 11.941 -5.510 416 HB ILE 46 HB ILE 46 -9.489 10.857 -5.361 417 1HG1 ILE 46 1HG1 ILE 46 -9.213 13.267 -3.606 418 2HG1 ILE 46 2HG1 ILE 46 -10.759 12.406 -3.507 419 1HG2 ILE 46 1HG2 ILE 46 -8.368 12.392 -6.998 420 2HG2 ILE 46 2HG2 ILE 46 -8.288 13.619 -5.732 421 3HG2 ILE 46 3HG2 ILE 46 -7.456 12.060 -5.520 422 1HD1 ILE 46 1HD1 ILE 46 -9.654 10.286 -3.167 423 2HD1 ILE 46 2HD1 ILE 46 -8.052 11.051 -3.301 424 3HD1 ILE 46 3HD1 ILE 46 -9.126 11.454 -1.931 425 H LEU 47 H LEU 47 -10.109 13.760 -8.007 426 HA LEU 47 HA LEU 47 -10.072 15.899 -8.651 427 1HB LEU 47 1HB LEU 47 -12.629 15.901 -7.079 428 2HB LEU 47 2HB LEU 47 -11.845 17.459 -7.306 429 HG LEU 47 HG LEU 47 -11.763 17.088 -9.756 430 1HD1 LEU 47 1HD1 LEU 47 -11.895 14.590 -9.785 431 2HD1 LEU 47 2HD1 LEU 47 -13.555 14.694 -9.154 432 3HD1 LEU 47 3HD1 LEU 47 -13.169 15.335 -10.760 433 1HD2 LEU 47 1HD2 LEU 47 -14.516 16.914 -8.458 434 2HD2 LEU 47 2HD2 LEU 47 -13.564 18.396 -8.690 435 3HD2 LEU 47 3HD2 LEU 47 -14.174 17.507 -10.098 436 H GLY 48 H GLY 48 -10.787 16.215 -5.144 437 1HA GLY 48 1HA GLY 48 -9.597 17.275 -3.474 438 2HA GLY 48 2HA GLY 48 -8.155 17.272 -4.502 439 1HN NH2 49 1HN NH2 49 -8.415 18.850 -6.537 440 2HN NH2 49 2HN NH2 49 -9.058 20.465 -6.138 441 1H ACE 0 H1 ACE 0 13.695 -11.341 -18.899 442 2H ACE 0 H2 ACE 0 12.043 -11.659 -19.478 443 3H ACE 0 H3 ACE 0 12.396 -11.691 -17.737 444 H ASP 1 H ASP 1 12.704 -9.476 -20.574 445 HA ASP 1 HA ASP 1 12.887 -7.084 -19.108 446 1HB ASP 1 1HB ASP 1 12.503 -7.882 -21.930 447 2HB ASP 1 2HB ASP 1 11.544 -6.471 -21.518 448 H TYR 2 H TYR 2 9.983 -8.539 -20.650 449 HA TYR 2 HA TYR 2 8.007 -6.889 -19.816 450 1HB TYR 2 1HB TYR 2 6.565 -8.670 -20.116 451 2HB TYR 2 2HB TYR 2 7.857 -8.883 -21.269 452 HD1 TYR 2 HD1 TYR 2 6.141 -10.280 -18.346 453 HD2 TYR 2 HD2 TYR 2 9.507 -10.752 -21.000 454 HE1 TYR 2 HE1 TYR 2 6.477 -12.598 -17.522 455 HE2 TYR 2 HE2 TYR 2 9.859 -13.047 -20.138 456 HH TYR 2 HH TYR 2 9.097 -14.699 -18.709 457 H LEU 3 H LEU 3 9.509 -9.520 -17.915 458 HA LEU 3 HA LEU 3 7.948 -8.997 -15.603 459 1HB LEU 3 1HB LEU 3 10.265 -10.742 -16.320 460 2HB LEU 3 2HB LEU 3 10.348 -10.188 -14.651 461 HG LEU 3 HG LEU 3 7.864 -11.463 -15.815 462 1HD1 LEU 3 1HD1 LEU 3 9.753 -13.048 -16.011 463 2HD1 LEU 3 2HD1 LEU 3 10.158 -12.791 -14.300 464 3HD1 LEU 3 3HD1 LEU 3 8.626 -13.572 -14.748 465 1HD2 LEU 3 1HD2 LEU 3 8.843 -11.092 -12.940 466 2HD2 LEU 3 2HD2 LEU 3 7.534 -10.170 -13.702 467 3HD2 LEU 3 3HD2 LEU 3 7.343 -11.906 -13.421 468 H ARG 4 H ARG 4 11.274 -7.905 -16.340 469 HA ARG 4 HA ARG 4 11.548 -6.436 -13.914 470 1HB ARG 4 1HB ARG 4 12.658 -5.965 -16.705 471 2HB ARG 4 2HB ARG 4 13.044 -4.926 -15.323 472 1HG ARG 4 1HG ARG 4 13.887 -6.831 -14.039 473 2HG ARG 4 2HG ARG 4 13.492 -7.943 -15.361 474 1HD ARG 4 1HD ARG 4 15.379 -5.557 -15.657 475 2HD ARG 4 2HD ARG 4 15.951 -7.157 -15.206 476 HE ARG 4 HE ARG 4 15.115 -6.233 -17.837 477 1HH1 ARG 4 1HH2 ARG 4 15.353 -9.087 -15.796 478 2HH1 ARG 4 2HH2 ARG 4 15.683 -10.196 -17.098 479 1HH2 ARG 4 1HH1 ARG 4 15.457 -7.660 -19.591 480 2HH2 ARG 4 2HH1 ARG 4 15.773 -9.348 -19.311 481 H GLU 5 H GLU 5 9.468 -5.854 -16.662 482 HA GLU 5 HA GLU 5 9.133 -2.973 -16.050 483 1HB GLU 5 1HB GLU 5 7.630 -4.801 -17.962 484 2HB GLU 5 2HB GLU 5 7.306 -3.086 -17.733 485 1HG GLU 5 1HG GLU 5 9.423 -2.432 -18.603 486 2HG GLU 5 2HG GLU 5 10.089 -4.062 -18.497 487 H LEU 6 H LEU 6 7.301 -6.020 -15.765 488 HA LEU 6 HA LEU 6 5.313 -4.690 -14.078 489 1HB LEU 6 1HB LEU 6 5.311 -7.399 -15.294 490 2HB LEU 6 2HB LEU 6 4.154 -6.831 -14.068 491 HG LEU 6 HG LEU 6 4.566 -5.582 -16.762 492 1HD1 LEU 6 1HD1 LEU 6 3.343 -7.769 -16.704 493 2HD1 LEU 6 2HD1 LEU 6 2.316 -7.171 -15.383 494 3HD1 LEU 6 3HD1 LEU 6 2.160 -6.481 -16.985 495 1HD2 LEU 6 1HD2 LEU 6 2.805 -4.696 -14.466 496 2HD2 LEU 6 2HD2 LEU 6 3.962 -3.727 -15.409 497 3HD2 LEU 6 3HD2 LEU 6 2.481 -4.266 -16.159 498 H LEU 7 H LEU 7 8.032 -4.918 -13.125 499 HA LEU 7 HA LEU 7 7.357 -6.066 -10.588 500 1HB LEU 7 1HB LEU 7 8.300 -8.018 -11.833 501 2HB LEU 7 2HB LEU 7 9.836 -7.175 -12.020 502 HG LEU 7 HG LEU 7 8.788 -7.440 -9.237 503 1HD1 LEU 7 1HD1 LEU 7 8.258 -9.665 -10.216 504 2HD1 LEU 7 2HD1 LEU 7 9.931 -9.808 -10.790 505 3HD1 LEU 7 3HD1 LEU 7 9.584 -9.775 -9.047 506 1HD2 LEU 7 1HD2 LEU 7 11.544 -7.835 -10.479 507 2HD2 LEU 7 2HD2 LEU 7 10.990 -6.415 -9.562 508 3HD2 LEU 7 3HD2 LEU 7 11.165 -7.968 -8.750 509 H LYS 8 H LYS 8 10.440 -5.044 -12.161 510 HA LYS 8 HA LYS 8 11.253 -3.985 -9.701 511 1HB LYS 8 1HB LYS 8 12.605 -4.749 -11.928 512 2HB LYS 8 2HB LYS 8 12.538 -3.013 -12.254 513 1HG LYS 8 1HG LYS 8 13.420 -2.813 -9.757 514 2HG LYS 8 2HG LYS 8 13.834 -4.523 -9.969 515 1HD LYS 8 1HD LYS 8 15.049 -3.743 -12.163 516 2HD LYS 8 2HD LYS 8 14.790 -2.100 -11.562 517 1HE LYS 8 1HE LYS 8 16.990 -2.687 -10.863 518 2HE LYS 8 2HE LYS 8 15.993 -2.818 -9.406 519 1HZ LYS 8 1HZ LYS 8 15.891 -5.197 -9.809 520 2HZ LYS 8 2HZ LYS 8 16.831 -5.036 -11.152 521 3HZ LYS 8 3HZ LYS 8 17.451 -4.688 -9.667 522 H LEU 9 H LEU 9 9.996 -2.563 -12.663 523 HA LEU 9 HA LEU 9 9.999 0.173 -11.701 524 1HB LEU 9 1HB LEU 9 8.724 -1.269 -14.026 525 2HB LEU 9 2HB LEU 9 8.232 0.379 -13.633 526 HG LEU 9 HG LEU 9 11.175 -0.313 -13.928 527 1HD1 LEU 9 1HD1 LEU 9 10.267 -1.106 -15.997 528 2HD1 LEU 9 2HD1 LEU 9 9.210 0.316 -16.167 529 3HD1 LEU 9 3HD1 LEU 9 10.975 0.476 -16.318 530 1HD2 LEU 9 1HD2 LEU 9 9.573 2.242 -14.438 531 2HD2 LEU 9 2HD2 LEU 9 10.533 1.928 -12.980 532 3HD2 LEU 9 3HD2 LEU 9 11.336 2.073 -14.549 533 H GLU 10 H GLU 10 7.495 -2.517 -11.766 534 HA GLU 10 HA GLU 10 5.503 -1.008 -10.607 535 1HB GLU 10 1HB GLU 10 6.176 -3.907 -9.997 536 2HB GLU 10 2HB GLU 10 4.691 -3.044 -9.615 537 1HG GLU 10 1HG GLU 10 5.675 -3.508 -12.392 538 2HG GLU 10 2HG GLU 10 4.427 -4.490 -11.583 539 H LEU 11 H LEU 11 8.251 -2.568 -8.865 540 HA LEU 11 HA LEU 11 7.152 -2.131 -6.255 541 1HB LEU 11 1HB LEU 11 9.059 -3.608 -6.848 542 2HB LEU 11 2HB LEU 11 10.105 -2.207 -7.082 543 HG LEU 11 HG LEU 11 8.652 -2.614 -4.440 544 1HD1 LEU 11 1HD1 LEU 11 9.703 -4.779 -4.938 545 2HD1 LEU 11 2HD1 LEU 11 11.252 -3.971 -5.264 546 3HD1 LEU 11 3HD1 LEU 11 10.560 -3.956 -3.627 547 1HD2 LEU 11 1HD2 LEU 11 11.379 -1.419 -5.154 548 2HD2 LEU 11 2HD2 LEU 11 9.942 -0.490 -4.691 549 3HD2 LEU 11 3HD2 LEU 11 10.710 -1.553 -3.516 550 H GLN 12 H GLN 12 9.114 0.004 -8.344 551 HA GLN 12 HA GLN 12 9.578 2.059 -6.521 552 1HB GLN 12 1HB GLN 12 10.561 1.737 -8.797 553 2HB GLN 12 2HB GLN 12 9.051 2.304 -9.515 554 1HG GLN 12 1HG GLN 12 10.143 4.158 -7.470 555 2HG GLN 12 2HG GLN 12 11.241 3.821 -8.807 556 1HE2 GLN 12 2HE2 GLN 12 7.744 4.695 -8.283 557 2HE2 GLN 12 1HE2 GLN 12 7.660 5.671 -9.741 558 H LEU 13 H LEU 13 6.541 1.125 -8.024 559 HA LEU 13 HA LEU 13 5.266 3.733 -7.903 560 1HB LEU 13 1HB LEU 13 3.955 0.987 -8.027 561 2HB LEU 13 2HB LEU 13 3.254 2.543 -8.466 562 HG LEU 13 HG LEU 13 5.609 1.222 -9.906 563 1HD1 LEU 13 1HD1 LEU 13 3.624 -0.194 -9.924 564 2HD1 LEU 13 2HD1 LEU 13 2.614 1.182 -10.274 565 3HD1 LEU 13 3HD1 LEU 13 3.776 0.583 -11.506 566 1HD2 LEU 13 1HD2 LEU 13 3.800 3.515 -10.764 567 2HD2 LEU 13 2HD2 LEU 13 5.461 3.702 -10.168 568 3HD2 LEU 13 3HD2 LEU 13 5.177 2.818 -11.657 569 H ILE 14 H ILE 14 4.803 0.629 -6.184 570 HA ILE 14 HA ILE 14 3.173 1.520 -4.025 571 HB ILE 14 HB ILE 14 5.182 -0.732 -4.519 572 1HG1 ILE 14 1HG1 ILE 14 3.269 -2.140 -4.165 573 2HG1 ILE 14 2HG1 ILE 14 2.257 -0.793 -3.623 574 1HG2 ILE 14 1HG2 ILE 14 5.611 -0.209 -2.160 575 2HG2 ILE 14 2HG2 ILE 14 3.863 -0.164 -1.825 576 3HG2 ILE 14 3HG2 ILE 14 4.662 -1.680 -2.282 577 1HD1 ILE 14 1HD1 ILE 14 2.237 0.125 -5.906 578 2HD1 ILE 14 2HD1 ILE 14 3.366 -1.153 -6.440 579 3HD1 ILE 14 3HD1 ILE 14 1.725 -1.565 -5.904 580 H LYS 15 H LYS 15 6.679 1.542 -4.499 581 HA LYS 15 HA LYS 15 7.260 2.715 -1.921 582 1HB LYS 15 1HB LYS 15 8.968 1.650 -3.112 583 2HB LYS 15 2HB LYS 15 8.764 2.659 -4.535 584 1HG LYS 15 1HG LYS 15 9.522 3.983 -1.923 585 2HG LYS 15 2HG LYS 15 10.742 3.045 -2.808 586 1HD LYS 15 1HD LYS 15 10.309 4.313 -4.867 587 2HD LYS 15 2HD LYS 15 9.103 5.298 -4.044 588 1HE LYS 15 1HE LYS 15 10.840 6.083 -2.413 589 2HE LYS 15 2HE LYS 15 12.067 5.176 -3.321 590 1HZ LYS 15 1HZ LYS 15 11.530 6.536 -5.229 591 2HZ LYS 15 2HZ LYS 15 10.416 7.379 -4.353 592 3HZ LYS 15 3HZ LYS 15 12.009 7.462 -3.954 593 H GLN 16 H GLN 16 6.582 4.294 -5.101 594 HA GLN 16 HA GLN 16 6.977 6.962 -4.091 595 1HB GLN 16 1HB GLN 16 6.322 5.792 -6.629 596 2HB GLN 16 2HB GLN 16 4.961 6.810 -6.250 597 1HG GLN 16 1HG GLN 16 7.508 8.232 -5.743 598 2HG GLN 16 2HG GLN 16 7.441 7.551 -7.361 599 1HE2 GLN 16 2HE2 GLN 16 5.270 9.369 -5.067 600 2HE2 GLN 16 1HE2 GLN 16 4.769 10.502 -6.320 601 H TYR 17 H TYR 17 4.254 4.783 -4.154 602 HA TYR 17 HA TYR 17 2.167 6.595 -3.458 603 1HB TYR 17 1HB TYR 17 2.650 3.627 -3.354 604 2HB TYR 17 2HB TYR 17 1.432 4.273 -2.314 605 HD1 TYR 17 HD1 TYR 17 2.093 3.121 -5.628 606 HD2 TYR 17 HD2 TYR 17 -0.548 5.512 -3.212 607 HE1 TYR 17 HE1 TYR 17 0.335 2.846 -7.306 608 HE2 TYR 17 HE2 TYR 17 -2.368 5.133 -4.853 609 HH TYR 17 HH TYR 17 -1.921 2.987 -7.668 610 H ARG 18 H ARG 18 4.753 5.197 -1.573 611 HA ARG 18 HA ARG 18 3.381 5.660 1.004 612 1HB ARG 18 1HB ARG 18 6.271 4.922 0.340 613 2HB ARG 18 2HB ARG 18 5.653 5.176 1.976 614 1HG ARG 18 1HG ARG 18 3.961 3.362 1.596 615 2HG ARG 18 2HG ARG 18 4.663 3.088 -0.001 616 1HD ARG 18 1HD ARG 18 5.560 1.446 1.431 617 2HD ARG 18 2HD ARG 18 6.875 2.611 1.159 618 HE ARG 18 HE ARG 18 5.468 3.423 3.477 619 1HH1 ARG 18 1HH2 ARG 18 7.409 0.687 2.410 620 2HH1 ARG 18 2HH2 ARG 18 7.874 0.182 4.010 621 1HH2 ARG 18 1HH1 ARG 18 6.036 2.791 5.592 622 2HH2 ARG 18 2HH1 ARG 18 7.075 1.421 5.871 623 H GLU 19 H GLU 19 5.864 7.077 -0.970 624 HA GLU 19 HA GLU 19 6.472 9.350 0.582 625 1HB GLU 19 1HB GLU 19 7.666 8.470 -1.473 626 2HB GLU 19 2HB GLU 19 6.420 9.270 -2.444 627 1HG GLU 19 1HG GLU 19 7.003 11.438 -1.540 628 2HG GLU 19 2HG GLU 19 8.173 10.726 -0.426 629 H ALA 20 H ALA 20 3.952 8.936 -1.989 630 HA ALA 20 HA ALA 20 2.870 11.631 -1.180 631 1HB ALA 20 1HB ALA 20 3.223 11.455 -3.539 632 2HB ALA 20 2HB ALA 20 2.385 9.938 -3.662 633 3HB ALA 20 3HB ALA 20 1.484 11.411 -3.275 634 H LEU 21 H LEU 21 2.556 8.916 0.367 635 HA LEU 21 HA LEU 21 -0.367 9.265 0.866 636 1HB LEU 21 1HB LEU 21 0.201 7.033 0.728 637 2HB LEU 21 2HB LEU 21 1.699 7.205 1.621 638 HG LEU 21 HG LEU 21 -0.410 6.044 2.567 639 1HD1 LEU 21 1HD1 LEU 21 0.420 6.241 4.809 640 2HD1 LEU 21 2HD1 LEU 21 1.767 6.152 3.669 641 3HD1 LEU 21 3HD1 LEU 21 1.309 7.708 4.400 642 1HD2 LEU 21 1HD2 LEU 21 -0.919 8.650 4.003 643 2HD2 LEU 21 2HD2 LEU 21 -1.833 8.221 2.546 644 3HD2 LEU 21 3HD2 LEU 21 -1.863 7.182 3.977 645 H GLU 22 H GLU 22 2.805 9.367 2.516 646 HA GLU 22 HA GLU 22 1.716 9.967 5.074 647 1HB GLU 22 1HB GLU 22 4.478 10.349 3.841 648 2HB GLU 22 2HB GLU 22 4.144 10.889 5.487 649 1HG GLU 22 1HG GLU 22 3.653 8.019 4.583 650 2HG GLU 22 2HG GLU 22 5.180 8.587 5.263 651 H TYR 23 H TYR 23 3.151 12.095 2.623 652 HA TYR 23 HA TYR 23 2.848 14.521 4.046 653 1HB TYR 23 1HB TYR 23 4.120 13.959 1.859 654 2HB TYR 23 2HB TYR 23 2.588 14.195 1.039 655 HD1 TYR 23 HD1 TYR 23 1.559 16.475 0.934 656 HD2 TYR 23 HD2 TYR 23 5.381 15.793 2.813 657 HE1 TYR 23 HE1 TYR 23 2.178 18.829 0.534 658 HE2 TYR 23 HE2 TYR 23 5.997 18.154 2.417 659 HH TYR 23 HH TYR 23 3.755 20.479 0.878 660 H VAL 24 H VAL 24 0.571 12.583 2.166 661 HA VAL 24 HA VAL 24 -1.386 14.789 1.926 662 HB VAL 24 HB VAL 24 -1.351 11.899 1.155 663 1HG1 VAL 24 1HG1 VAL 24 -3.707 12.526 1.395 664 2HG1 VAL 24 2HG1 VAL 24 -3.437 14.021 0.471 665 3HG1 VAL 24 3HG1 VAL 24 -3.323 12.440 -0.326 666 1HG2 VAL 24 1HG2 VAL 24 -1.058 14.442 -0.514 667 2HG2 VAL 24 2HG2 VAL 24 0.232 13.275 -0.158 668 3HG2 VAL 24 3HG2 VAL 24 -1.129 12.802 -1.180 669 H LYS 25 H LYS 25 -0.853 11.970 3.974 670 HA LYS 25 HA LYS 25 -1.934 11.066 5.724 671 1HB LYS 25 1HB LYS 25 -3.099 13.840 6.190 672 2HB LYS 25 2HB LYS 25 -3.067 12.475 7.317 673 1HG LYS 25 1HG LYS 25 -0.497 12.546 7.103 674 2HG LYS 25 2HG LYS 25 -0.728 14.117 6.323 675 1HD LYS 25 1HD LYS 25 -2.438 14.187 8.601 676 2HD LYS 25 2HD LYS 25 -1.004 13.323 9.175 677 1HE LYS 25 1HE LYS 25 0.408 15.240 8.443 678 2HE LYS 25 2HE LYS 25 -1.033 16.048 7.789 679 1HZ LYS 25 1HZ LYS 25 -1.950 16.089 9.988 680 2HZ LYS 25 2HZ LYS 25 -0.610 15.359 10.611 681 3HZ LYS 25 3HZ LYS 25 -0.498 16.868 9.954 682 H LEU 26 H LEU 26 -3.182 10.295 3.513 683 HA LEU 26 HA LEU 26 -6.060 10.297 4.367 684 1HB LEU 26 1HB LEU 26 -4.804 10.317 1.710 685 2HB LEU 26 2HB LEU 26 -6.023 9.056 1.901 686 HG LEU 26 HG LEU 26 -6.606 11.908 2.748 687 1HD1 LEU 26 1HD1 LEU 26 -5.941 12.109 0.450 688 2HD1 LEU 26 2HD1 LEU 26 -6.854 10.671 -0.020 689 3HD1 LEU 26 3HD1 LEU 26 -7.711 12.141 0.493 690 1HD2 LEU 26 1HD2 LEU 26 -8.370 9.561 1.864 691 2HD2 LEU 26 2HD2 LEU 26 -8.164 10.111 3.534 692 3HD2 LEU 26 3HD2 LEU 26 -8.945 11.164 2.352 693 HA PRO 27 HA PRO 27 -4.541 6.227 5.738 694 1HB PRO 27 1HB PRO 27 -6.869 5.250 6.820 695 2HB PRO 27 2HB PRO 27 -5.765 6.364 7.675 696 1HG PRO 27 1HG PRO 27 -8.281 7.061 6.146 697 2HG PRO 27 2HG PRO 27 -7.791 7.631 7.767 698 1HD PRO 27 1HD PRO 27 -7.412 9.137 5.561 699 2HD PRO 27 2HD PRO 27 -6.162 9.116 6.839 700 H VAL 28 H VAL 28 -7.476 6.990 3.803 701 HA VAL 28 HA VAL 28 -7.746 4.442 2.589 702 HB VAL 28 HB VAL 28 -8.285 7.125 1.376 703 1HG1 VAL 28 1HG1 VAL 28 -8.238 5.475 -0.374 704 2HG1 VAL 28 2HG1 VAL 28 -9.121 4.293 0.615 705 3HG1 VAL 28 3HG1 VAL 28 -9.944 5.732 -0.002 706 1HG2 VAL 28 1HG2 VAL 28 -10.149 5.216 2.854 707 2HG2 VAL 28 2HG2 VAL 28 -9.604 6.800 3.459 708 3HG2 VAL 28 3HG2 VAL 28 -10.639 6.708 2.029 709 H LEU 29 H LEU 29 -5.336 7.049 2.021 710 HA LEU 29 HA LEU 29 -4.456 5.879 -0.499 711 1HB LEU 29 1HB LEU 29 -3.852 8.290 1.012 712 2HB LEU 29 2HB LEU 29 -2.367 7.440 0.590 713 HG LEU 29 HG LEU 29 -4.469 7.890 -1.528 714 1HD1 LEU 29 1HD1 LEU 29 -4.105 10.096 -0.578 715 2HD1 LEU 29 2HD1 LEU 29 -2.340 9.875 -0.635 716 3HD1 LEU 29 3HD1 LEU 29 -3.280 9.982 -2.139 717 1HD2 LEU 29 1HD2 LEU 29 -1.419 7.672 -1.597 718 2HD2 LEU 29 2HD2 LEU 29 -2.546 6.350 -1.975 719 3HD2 LEU 29 3HD2 LEU 29 -2.496 7.797 -2.996 720 H ALA 30 H ALA 30 -3.248 5.910 2.949 721 HA ALA 30 HA ALA 30 -1.193 4.053 2.546 722 1HB ALA 30 1HB ALA 30 -1.583 5.088 4.745 723 2HB ALA 30 2HB ALA 30 -3.079 4.149 4.934 724 3HB ALA 30 3HB ALA 30 -1.510 3.327 4.869 725 H LYS 31 H LYS 31 -4.667 3.413 3.028 726 HA LYS 31 HA LYS 31 -4.273 0.607 3.128 727 1HB LYS 31 1HB LYS 31 -6.254 2.071 3.986 728 2HB LYS 31 2HB LYS 31 -6.935 1.855 2.362 729 1HG LYS 31 1HG LYS 31 -6.893 -0.603 2.678 730 2HG LYS 31 2HG LYS 31 -6.011 -0.403 4.203 731 1HD LYS 31 1HD LYS 31 -7.970 0.985 5.061 732 2HD LYS 31 2HD LYS 31 -8.876 0.460 3.627 733 1HE LYS 31 1HE LYS 31 -8.625 -1.902 4.318 734 2HE LYS 31 2HE LYS 31 -7.573 -1.424 5.665 735 1HZ LYS 31 1HZ LYS 31 -9.397 -0.218 6.604 736 2HZ LYS 31 2HZ LYS 31 -10.395 -0.685 5.378 737 3HZ LYS 31 3HZ LYS 31 -9.776 -1.808 6.414 738 H ILE 32 H ILE 32 -4.735 2.971 0.616 739 HA ILE 32 HA ILE 32 -5.590 0.993 -1.460 740 HB ILE 32 HB ILE 32 -4.752 3.893 -1.632 741 1HG1 ILE 32 1HG1 ILE 32 -7.183 2.362 -2.700 742 2HG1 ILE 32 2HG1 ILE 32 -7.136 3.111 -1.110 743 1HG2 ILE 32 1HG2 ILE 32 -3.583 2.893 -3.534 744 2HG2 ILE 32 2HG2 ILE 32 -5.026 1.971 -3.985 745 3HG2 ILE 32 3HG2 ILE 32 -4.991 3.733 -4.135 746 1HD1 ILE 32 1HD1 ILE 32 -6.660 5.322 -2.234 747 2HD1 ILE 32 2HD1 ILE 32 -6.972 4.538 -3.801 748 3HD1 ILE 32 3HD1 ILE 32 -8.252 4.613 -2.592 749 H LEU 33 H LEU 33 -2.568 2.544 -0.324 750 HA LEU 33 HA LEU 33 -1.079 1.584 -2.511 751 1HB LEU 33 1HB LEU 33 0.682 2.519 -1.596 752 2HB LEU 33 2HB LEU 33 -0.684 3.523 -1.001 753 HG LEU 33 HG LEU 33 -0.315 2.720 1.163 754 1HD1 LEU 33 1HD1 LEU 33 0.598 0.551 1.089 755 2HD1 LEU 33 2HD1 LEU 33 1.811 1.026 -0.141 756 3HD1 LEU 33 3HD1 LEU 33 1.959 1.570 1.557 757 1HD2 LEU 33 1HD2 LEU 33 2.237 3.562 -0.272 758 2HD2 LEU 33 2HD2 LEU 33 0.887 4.666 0.038 759 3HD2 LEU 33 3HD2 LEU 33 1.784 3.977 1.401 760 H GLU 34 H GLU 34 -1.916 0.238 0.591 761 HA GLU 34 HA GLU 34 -0.366 -2.123 0.529 762 1HB GLU 34 1HB GLU 34 -1.851 -1.031 2.406 763 2HB GLU 34 2HB GLU 34 -3.200 -1.844 1.667 764 1HG GLU 34 1HG GLU 34 -0.683 -3.294 2.623 765 2HG GLU 34 2HG GLU 34 -2.140 -3.084 3.604 766 H ASP 35 H ASP 35 -3.719 -1.556 -0.550 767 HA ASP 35 HA ASP 35 -4.217 -4.165 -1.436 768 1HB ASP 35 1HB ASP 35 -5.793 -2.056 -1.349 769 2HB ASP 35 2HB ASP 35 -5.297 -1.842 -3.036 770 H GLU 36 H GLU 36 -2.851 -1.429 -3.303 771 HA GLU 36 HA GLU 36 -2.512 -2.815 -5.770 772 1HB GLU 36 1HB GLU 36 -0.978 -0.463 -4.621 773 2HB GLU 36 2HB GLU 36 -0.803 -1.106 -6.260 774 1HG GLU 36 1HG GLU 36 -3.611 -0.833 -5.913 775 2HG GLU 36 2HG GLU 36 -2.921 0.615 -5.178 776 H GLU 37 H GLU 37 -0.274 -2.616 -2.927 777 HA GLU 37 HA GLU 37 1.913 -3.856 -3.991 778 1HB GLU 37 1HB GLU 37 1.066 -2.912 -1.533 779 2HB GLU 37 2HB GLU 37 0.820 -4.605 -1.189 780 1HG GLU 37 1HG GLU 37 3.407 -3.600 -2.383 781 2HG GLU 37 2HG GLU 37 3.027 -3.295 -0.688 782 H LYS 38 H LYS 38 -1.006 -5.526 -2.779 783 HA LYS 38 HA LYS 38 0.078 -8.147 -3.144 784 1HB LYS 38 1HB LYS 38 -1.913 -7.414 -1.774 785 2HB LYS 38 2HB LYS 38 -2.826 -7.252 -3.283 786 1HG LYS 38 1HG LYS 38 -2.392 -9.682 -3.778 787 2HG LYS 38 2HG LYS 38 -1.432 -9.801 -2.293 788 1HD LYS 38 1HD LYS 38 -3.447 -9.229 -0.951 789 2HD LYS 38 2HD LYS 38 -4.410 -9.135 -2.443 790 1HE LYS 38 1HE LYS 38 -3.875 -11.526 -2.933 791 2HE LYS 38 2HE LYS 38 -2.897 -11.613 -1.456 792 1HZ LYS 38 1HZ LYS 38 -4.868 -11.152 -0.195 793 2HZ LYS 38 2HZ LYS 38 -5.783 -11.080 -1.566 794 3HZ LYS 38 3HZ LYS 38 -5.071 -12.500 -1.122 795 H HIS 39 H HIS 39 -1.637 -5.985 -5.402 796 HA HIS 39 HA HIS 39 -2.017 -8.011 -7.430 797 1HB HIS 39 1HB HIS 39 -1.941 -4.981 -7.538 798 2HB HIS 39 2HB HIS 39 -2.310 -5.992 -8.919 799 HD1 HIS 39 HD1 HIS 39 -4.494 -7.874 -8.215 800 HD2 HIS 39 HD2 HIS 39 -4.028 -4.265 -6.099 801 HE1 HIS 39 HE1 HIS 39 -6.725 -7.394 -6.999 802 HE2 HIS 39 HE2 HIS 39 -6.409 -5.179 -5.767 803 H ILE 40 H ILE 40 0.629 -5.772 -6.643 804 HA ILE 40 HA ILE 40 2.180 -6.503 -9.016 805 HB ILE 40 HB ILE 40 2.848 -4.833 -6.561 806 1HG1 ILE 40 1HG1 ILE 40 3.066 -3.074 -8.283 807 2HG1 ILE 40 2HG1 ILE 40 2.703 -4.238 -9.573 808 1HG2 ILE 40 1HG2 ILE 40 4.989 -5.994 -7.416 809 2HG2 ILE 40 2HG2 ILE 40 4.607 -5.447 -9.048 810 3HG2 ILE 40 3HG2 ILE 40 4.996 -4.281 -7.783 811 1HD1 ILE 40 1HD1 ILE 40 0.361 -4.320 -8.799 812 2HD1 ILE 40 2HD1 ILE 40 0.794 -3.220 -7.455 813 3HD1 ILE 40 3HD1 ILE 40 0.905 -2.676 -9.127 814 H GLU 41 H GLU 41 2.080 -7.441 -5.578 815 HA GLU 41 HA GLU 41 4.149 -9.226 -5.400 816 1HB GLU 41 1HB GLU 41 2.405 -8.582 -3.605 817 2HB GLU 41 2HB GLU 41 1.406 -9.878 -4.302 818 1HG GLU 41 1HG GLU 41 3.500 -11.384 -3.947 819 2HG GLU 41 2HG GLU 41 4.062 -10.084 -2.886 820 H TRP 42 H TRP 42 0.927 -9.830 -6.966 821 HA TRP 42 HA TRP 42 1.123 -12.531 -7.389 822 1HB TRP 42 1HB TRP 42 -0.683 -10.804 -8.029 823 2HB TRP 42 2HB TRP 42 0.185 -10.634 -9.546 824 HD1 TRP 42 HD1 TRP 42 -1.944 -13.012 -7.585 825 HE1 TRP 42 HE1 TRP 42 -2.518 -15.138 -8.988 826 HE3 TRP 42 HE3 TRP 42 1.064 -12.111 -11.505 827 HZ2 TRP 42 HZ2 TRP 42 -1.542 -16.366 -11.466 828 HZ3 TRP 42 HZ3 TRP 42 1.302 -13.768 -13.386 829 HH2 TRP 42 HH2 TRP 42 0.162 -15.969 -13.228 830 H LEU 43 H LEU 43 2.722 -9.951 -9.183 831 HA LEU 43 HA LEU 43 3.929 -11.663 -11.240 832 1HB LEU 43 1HB LEU 43 4.372 -8.779 -10.358 833 2HB LEU 43 2HB LEU 43 5.324 -9.562 -11.594 834 HG LEU 43 HG LEU 43 2.399 -9.923 -12.005 835 1HD1 LEU 43 1HD1 LEU 43 2.121 -7.785 -11.053 836 2HD1 LEU 43 2HD1 LEU 43 3.536 -7.111 -11.858 837 3HD1 LEU 43 3HD1 LEU 43 2.109 -7.544 -12.805 838 1HD2 LEU 43 1HD2 LEU 43 4.752 -8.991 -13.691 839 2HD2 LEU 43 2HD2 LEU 43 3.996 -10.585 -13.676 840 3HD2 LEU 43 3HD2 LEU 43 3.103 -9.190 -14.307 841 H GLU 44 H GLU 44 4.904 -10.075 -8.198 842 HA GLU 44 HA GLU 44 7.588 -11.202 -8.277 843 1HB GLU 44 1HB GLU 44 6.287 -10.055 -5.796 844 2HB GLU 44 2HB GLU 44 7.988 -10.134 -6.245 845 1HG GLU 44 1HG GLU 44 7.212 -8.608 -8.282 846 2HG GLU 44 2HG GLU 44 5.833 -8.264 -7.245 847 H THR 45 H THR 45 5.268 -13.154 -8.319 848 HA THR 45 HA THR 45 6.480 -14.983 -6.359 849 HB THR 45 HB THR 45 4.519 -13.656 -5.345 850 HG1 THR 45 HG1 THR 45 5.407 -15.451 -4.345 851 1HG2 THR 45 1HG2 THR 45 2.874 -13.876 -7.041 852 2HG2 THR 45 2HG2 THR 45 2.792 -15.640 -6.812 853 3HG2 THR 45 3HG2 THR 45 2.314 -14.527 -5.508 854 H ILE 46 H ILE 46 3.952 -14.474 -8.746 855 HA ILE 46 HA ILE 46 3.213 -15.686 -10.475 856 HB ILE 46 HB ILE 46 5.127 -14.580 -11.370 857 1HG1 ILE 46 1HG1 ILE 46 5.577 -15.829 -13.340 858 2HG1 ILE 46 2HG1 ILE 46 5.062 -17.351 -12.603 859 1HG2 ILE 46 1HG2 ILE 46 6.988 -15.332 -10.049 860 2HG2 ILE 46 2HG2 ILE 46 6.819 -16.998 -10.648 861 3HG2 ILE 46 3HG2 ILE 46 7.311 -15.693 -11.738 862 1HD1 ILE 46 1HD1 ILE 46 2.751 -16.542 -12.476 863 2HD1 ILE 46 2HD1 ILE 46 3.281 -14.917 -12.986 864 3HD1 ILE 46 3HD1 ILE 46 3.356 -16.285 -14.119 865 H LEU 47 H LEU 47 2.548 -17.070 -8.592 866 HA LEU 47 HA LEU 47 3.897 -19.457 -7.990 867 1HB LEU 47 1HB LEU 47 2.334 -18.075 -6.602 868 2HB LEU 47 2HB LEU 47 0.967 -18.831 -7.413 869 HG LEU 47 HG LEU 47 3.140 -20.488 -6.046 870 1HD1 LEU 47 1HD1 LEU 47 2.443 -18.806 -4.412 871 2HD1 LEU 47 2HD1 LEU 47 0.733 -19.192 -4.706 872 3HD1 LEU 47 3HD1 LEU 47 1.811 -20.397 -3.963 873 1HD2 LEU 47 1HD2 LEU 47 0.157 -20.956 -6.531 874 2HD2 LEU 47 2HD2 LEU 47 1.497 -21.787 -7.353 875 3HD2 LEU 47 3HD2 LEU 47 1.227 -22.045 -5.629 876 H GLY 48 H GLY 48 4.277 -20.426 -10.041 877 1HA GLY 48 1HA GLY 48 2.476 -22.635 -10.517 878 2HA GLY 48 2HA GLY 48 2.428 -21.470 -11.857 879 1HN NH2 49 1HN NH2 49 4.762 -20.655 -12.522 880 2HN NH2 49 2HN NH2 49 5.974 -21.950 -12.711
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