NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15816 | 1yzc | 6552 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1HT ALA 1 -24.511 2.248 20.653 2 2H ALA 1 2HT ALA 1 -25.767 2.803 21.654 3 3H ALA 1 3HT ALA 1 -25.754 1.192 21.115 4 HA ALA 1 HA ALA 1 -24.218 2.459 23.250 5 1HB ALA 1 1HB ALA 1 -24.501 0.077 24.141 6 2HB ALA 1 2HB ALA 1 -25.521 -0.222 22.734 7 3HB ALA 1 3HB ALA 1 -25.987 0.999 23.917 8 H ASP 2 H ASP 2 -22.097 1.836 23.745 9 HA ASP 2 HA ASP 2 -20.475 0.921 21.516 10 1HB ASP 2 2HB ASP 2 -18.610 1.041 23.200 11 2HB ASP 2 1HB ASP 2 -19.535 2.535 23.059 12 H LEU 3 H LEU 3 -19.217 -1.035 21.459 13 HA LEU 3 HA LEU 3 -20.561 -3.315 22.771 14 1HB LEU 3 2HB LEU 3 -18.693 -4.526 21.278 15 2HB LEU 3 1HB LEU 3 -20.181 -3.915 20.561 16 HG LEU 3 HG LEU 3 -17.860 -2.011 20.775 17 1HD1 LEU 3 1HD1 LEU 3 -17.027 -2.839 18.555 18 2HD1 LEU 3 2HD1 LEU 3 -18.059 -4.256 18.750 19 3HD1 LEU 3 3HD1 LEU 3 -16.743 -3.961 19.885 20 1HD2 LEU 3 1HD2 LEU 3 -19.726 -2.468 18.438 21 2HD2 LEU 3 2HD2 LEU 3 -18.861 -0.997 18.886 22 3HD2 LEU 3 3HD2 LEU 3 -20.243 -1.532 19.840 23 H GLU 4 H GLU 4 -17.090 -2.984 22.078 24 HA GLU 4 HA GLU 4 -15.227 -3.339 23.452 25 1HB GLU 4 2HB GLU 4 -16.945 -2.544 25.802 26 2HB GLU 4 1HB GLU 4 -15.229 -2.229 25.533 27 1HG GLU 4 2HG GLU 4 -16.027 -0.847 23.478 28 2HG GLU 4 1HG GLU 4 -17.609 -0.887 24.256 29 H ASP 5 H ASP 5 -15.227 -4.282 26.202 30 HA ASP 5 HA ASP 5 -15.137 -6.348 27.269 31 1HB ASP 5 2HB ASP 5 -17.238 -7.276 27.773 32 2HB ASP 5 1HB ASP 5 -17.598 -5.587 27.429 33 H ASN 6 H ASN 6 -14.398 -6.234 24.333 34 HA ASN 6 HA ASN 6 -15.066 -8.984 23.445 35 1HB ASN 6 2HB ASN 6 -13.302 -6.984 22.021 36 2HB ASN 6 1HB ASN 6 -14.161 -8.362 21.330 37 1HD2 ASN 6 1HD2 ASN 6 -14.333 -5.114 21.291 38 2HD2 ASN 6 2HD2 ASN 6 -16.015 -4.887 21.244 39 H ASP 7 H ASP 7 -13.550 -10.637 23.386 40 HA ASP 7 HA ASP 7 -10.710 -10.058 23.948 41 1HB ASP 7 2HB ASP 7 -12.418 -11.800 25.756 42 2HB ASP 7 1HB ASP 7 -10.659 -11.686 25.835 43 H GLU 8 H GLU 8 -13.270 -12.397 23.310 44 HA GLU 8 HA GLU 8 -11.391 -14.430 22.349 45 1HB GLU 8 2HB GLU 8 -13.788 -15.320 21.455 46 2HB GLU 8 1HB GLU 8 -13.261 -15.547 23.117 47 1HG GLU 8 2HG GLU 8 -14.510 -13.629 23.861 48 2HG GLU 8 1HG GLU 8 -14.857 -13.141 22.202 49 H THR 9 H THR 9 -11.811 -11.621 21.135 50 HA THR 9 HA THR 9 -12.635 -12.286 18.380 51 HB THR 9 HB THR 9 -13.351 -10.128 19.166 52 HG1 THR 9 1HG THR 9 -11.233 -9.137 17.776 53 1HG2 THR 9 1HG2 THR 9 -10.450 -9.771 19.948 54 2HG2 THR 9 2HG2 THR 9 -11.857 -9.777 21.012 55 3HG2 THR 9 3HG2 THR 9 -11.605 -8.439 19.891 56 H GLY 10 H GLY 10 -10.285 -13.591 19.492 57 1HA GLY 10 2HA GLY 10 -8.158 -14.207 18.694 58 2HA GLY 10 1HA GLY 10 -8.461 -13.178 17.293 59 H ASN 11 H ASN 11 -7.963 -12.674 20.797 60 HA ASN 11 HA ASN 11 -6.431 -10.215 20.228 61 1HB ASN 11 2HB ASN 11 -6.479 -9.881 22.646 62 2HB ASN 11 1HB ASN 11 -8.103 -10.280 22.087 63 1HD2 ASN 11 1HD2 ASN 11 -6.180 -10.914 24.630 64 2HD2 ASN 11 2HD2 ASN 11 -6.609 -12.522 24.963 65 H ASP 12 H ASP 12 -5.784 -13.433 20.277 66 HA ASP 12 HA ASP 12 -3.180 -13.246 21.675 67 1HB ASP 12 2HB ASP 12 -4.694 -15.253 21.931 68 2HB ASP 12 1HB ASP 12 -4.396 -15.616 20.231 69 H ASN 13 H ASN 13 -4.333 -12.454 18.696 70 HA ASN 13 HA ASN 13 -1.635 -12.575 17.522 71 1HB ASN 13 2HB ASN 13 -2.453 -13.733 15.456 72 2HB ASN 13 1HB ASN 13 -2.469 -14.769 16.884 73 1HD2 ASN 13 1HD2 ASN 13 -4.187 -15.233 14.602 74 2HD2 ASN 13 2HD2 ASN 13 -5.792 -15.000 15.106 75 H GLY 14 H GLY 14 -5.032 -11.678 17.247 76 1HA GLY 14 2HA GLY 14 -6.011 -9.766 16.293 77 2HA GLY 14 1HA GLY 14 -4.401 -9.043 16.307 78 H LYS 15 H LYS 15 -4.251 -11.976 14.693 79 HA LYS 15 HA LYS 15 -5.163 -11.005 12.082 80 1HB LYS 15 2HB LYS 15 -2.837 -11.352 11.080 81 2HB LYS 15 1HB LYS 15 -3.084 -9.880 12.010 82 1HG LYS 15 2HG LYS 15 -2.207 -11.913 13.864 83 2HG LYS 15 1HG LYS 15 -1.140 -11.983 12.469 84 1HD LYS 15 2HD LYS 15 -1.806 -9.386 13.881 85 2HD LYS 15 1HD LYS 15 -0.429 -10.393 14.322 86 1HE LYS 15 2HE LYS 15 0.640 -10.065 12.248 87 2HE LYS 15 1HE LYS 15 -0.845 -9.533 11.460 88 1HZ LYS 15 1HZ LYS 15 -0.229 -7.876 13.676 89 2HZ LYS 15 2HZ LYS 15 -0.439 -7.454 12.044 90 3HZ LYS 15 3HZ LYS 15 1.087 -7.942 12.608 91 H GLY 16 H GLY 16 -2.527 -13.299 12.759 92 1HA GLY 16 2HA GLY 16 -2.407 -15.606 12.321 93 2HA GLY 16 1HA GLY 16 -4.093 -15.669 12.845 94 H GLY 17 H GLY 17 -2.591 -14.002 10.078 95 1HA GLY 17 2HA GLY 17 -3.821 -15.831 8.160 96 2HA GLY 17 1HA GLY 17 -4.558 -14.227 8.203 97 H GLU 18 H GLU 18 -1.150 -14.843 8.828 98 HA GLU 18 HA GLU 18 -0.421 -12.950 6.703 99 1HB GLU 18 2HB GLU 18 1.121 -14.500 8.793 100 2HB GLU 18 1HB GLU 18 1.953 -13.626 7.505 101 1HG GLU 18 2HG GLU 18 1.196 -11.532 8.249 102 2HG GLU 18 1HG GLU 18 -0.145 -12.226 9.160 103 H LYS 19 H LYS 19 -1.292 -16.081 6.783 104 HA LYS 19 HA LYS 19 -0.918 -17.949 5.414 105 1HB LYS 19 2HB LYS 19 -1.922 -16.272 3.865 106 2HB LYS 19 1HB LYS 19 -0.299 -15.765 3.407 107 1HG LYS 19 2HG LYS 19 -1.148 -17.351 1.761 108 2HG LYS 19 1HG LYS 19 0.186 -18.084 2.648 109 1HD LYS 19 2HD LYS 19 -1.193 -19.584 3.771 110 2HD LYS 19 1HD LYS 19 -2.591 -18.513 3.709 111 1HE LYS 19 2HE LYS 19 -1.556 -19.590 1.108 112 2HE LYS 19 1HE LYS 19 -2.447 -20.686 2.163 113 1HZ LYS 19 1HZ LYS 19 -4.290 -19.770 1.389 114 2HZ LYS 19 2HZ LYS 19 -3.426 -18.573 0.548 115 3HZ LYS 19 3HZ LYS 19 -3.865 -18.327 2.170 116 H ALA 20 H ALA 20 1.469 -15.984 3.675 117 HA ALA 20 HA ALA 20 3.791 -16.276 3.437 118 1HB ALA 20 1HB ALA 20 5.029 -16.895 5.305 119 2HB ALA 20 2HB ALA 20 3.905 -18.174 5.762 120 3HB ALA 20 3HB ALA 20 3.498 -16.488 6.079 121 H ASP 21 H ASP 21 1.856 -17.943 2.128 122 HA ASP 21 HA ASP 21 2.907 -20.683 2.165 123 1HB ASP 21 2HB ASP 21 0.513 -20.388 1.856 124 2HB ASP 21 1HB ASP 21 0.786 -19.330 0.472 125 H ASN 22 H ASN 22 2.113 -18.849 -0.733 126 HA ASN 22 HA ASN 22 4.888 -18.662 -1.609 127 1HB ASN 22 2HB ASN 22 4.067 -21.123 -1.957 128 2HB ASN 22 1HB ASN 22 3.150 -20.442 -3.297 129 1HD2 ASN 22 1HD2 ASN 22 5.106 -18.418 -4.054 130 2HD2 ASN 22 2HD2 ASN 22 6.444 -19.233 -4.704 131 H ALA 23 H ALA 23 4.423 -16.518 -2.074 132 HA ALA 23 HA ALA 23 3.906 -14.786 -3.589 133 1HB ALA 23 1HB ALA 23 3.237 -15.295 -5.749 134 2HB ALA 23 2HB ALA 23 2.083 -16.521 -5.224 135 3HB ALA 23 3HB ALA 23 3.806 -16.886 -5.249 136 H ALA 24 H ALA 24 1.515 -16.851 -2.151 137 HA ALA 24 HA ALA 24 -0.785 -15.190 -2.605 138 1HB ALA 24 1HB ALA 24 -1.709 -16.357 -0.586 139 2HB ALA 24 2HB ALA 24 -0.126 -17.093 -0.336 140 3HB ALA 24 3HB ALA 24 -1.054 -17.473 -1.785 141 H GLN 25 H GLN 25 1.490 -15.430 0.114 142 HA GLN 25 HA GLN 25 0.436 -13.297 1.666 143 1HB GLN 25 2HB GLN 25 2.346 -13.552 2.985 144 2HB GLN 25 1HB GLN 25 2.258 -15.111 2.171 145 1HG GLN 25 2HG GLN 25 4.513 -14.544 1.863 146 2HG GLN 25 1HG GLN 25 3.789 -13.974 0.364 147 1HE2 GLN 25 1HE2 GLN 25 5.876 -12.527 0.525 148 2HE2 GLN 25 2HE2 GLN 25 5.700 -11.049 1.342 149 H VAL 26 H VAL 26 2.417 -13.251 -1.212 150 HA VAL 26 HA VAL 26 3.366 -10.541 -0.869 151 HB VAL 26 HB VAL 26 3.073 -12.267 -3.343 152 1HG1 VAL 26 1HG1 VAL 26 3.082 -9.999 -4.108 153 2HG1 VAL 26 2HG1 VAL 26 4.742 -10.569 -4.276 154 3HG1 VAL 26 3HG1 VAL 26 4.300 -9.532 -2.920 155 1HG2 VAL 26 1HG2 VAL 26 5.493 -11.480 -1.689 156 2HG2 VAL 26 2HG2 VAL 26 5.490 -12.552 -3.089 157 3HG2 VAL 26 3HG2 VAL 26 4.678 -13.042 -1.600 158 H LYS 27 H LYS 27 0.552 -12.003 -2.473 159 HA LYS 27 HA LYS 27 -0.381 -9.579 -3.688 160 1HB LYS 27 2HB LYS 27 -1.843 -12.086 -2.808 161 2HB LYS 27 1HB LYS 27 -2.607 -10.783 -3.718 162 1HG LYS 27 2HG LYS 27 -1.303 -11.174 -5.631 163 2HG LYS 27 1HG LYS 27 -0.053 -12.026 -4.731 164 1HD LYS 27 2HD LYS 27 -1.432 -13.574 -6.095 165 2HD LYS 27 1HD LYS 27 -1.560 -13.919 -4.374 166 1HE LYS 27 2HE LYS 27 -3.768 -13.940 -5.565 167 2HE LYS 27 1HE LYS 27 -3.696 -12.779 -4.240 168 1HZ LYS 27 1HZ LYS 27 -2.762 -11.589 -6.625 169 2HZ LYS 27 2HZ LYS 27 -4.080 -11.136 -5.653 170 3HZ LYS 27 3HZ LYS 27 -4.289 -12.274 -6.899 171 H ASP 28 H ASP 28 -1.302 -11.151 -0.598 172 HA ASP 28 HA ASP 28 -3.143 -9.157 0.238 173 1HB ASP 28 2HB ASP 28 -1.260 -10.781 1.976 174 2HB ASP 28 1HB ASP 28 -2.732 -9.973 2.517 175 H ALA 29 H ALA 29 0.364 -9.302 0.348 176 HA ALA 29 HA ALA 29 0.786 -7.024 2.043 177 1HB ALA 29 1HB ALA 29 2.451 -8.889 1.351 178 2HB ALA 29 2HB ALA 29 3.068 -7.237 1.455 179 3HB ALA 29 3HB ALA 29 2.684 -7.937 -0.118 180 H LEU 30 H LEU 30 0.860 -7.387 -1.509 181 HA LEU 30 HA LEU 30 1.312 -4.645 -2.006 182 1HB LEU 30 2HB LEU 30 -0.221 -6.607 -3.711 183 2HB LEU 30 1HB LEU 30 0.468 -5.087 -4.265 184 HG LEU 30 HG LEU 30 2.186 -7.192 -2.948 185 1HD1 LEU 30 1HD1 LEU 30 1.225 -8.368 -4.808 186 2HD1 LEU 30 2HD1 LEU 30 2.818 -7.832 -5.334 187 3HD1 LEU 30 3HD1 LEU 30 1.374 -6.962 -5.857 188 1HD2 LEU 30 1HD2 LEU 30 3.279 -5.075 -3.132 189 2HD2 LEU 30 2HD2 LEU 30 2.689 -4.831 -4.774 190 3HD2 LEU 30 3HD2 LEU 30 3.908 -6.061 -4.447 191 H THR 31 H THR 31 -1.748 -6.441 -1.716 192 HA THR 31 HA THR 31 -3.487 -4.234 -2.209 193 HB THR 31 HB THR 31 -5.082 -5.612 -0.691 194 HG1 THR 31 1HG THR 31 -2.702 -7.079 -0.672 195 1HG2 THR 31 1HG2 THR 31 -5.114 -5.747 -3.142 196 2HG2 THR 31 2HG2 THR 31 -5.335 -7.348 -2.439 197 3HG2 THR 31 3HG2 THR 31 -3.770 -6.888 -3.107 198 H LYS 32 H LYS 32 -1.800 -5.290 0.712 199 HA LYS 32 HA LYS 32 -3.152 -3.613 2.575 200 1HB LYS 32 2HB LYS 32 -1.571 -5.428 3.216 201 2HB LYS 32 1HB LYS 32 -0.236 -4.468 2.588 202 1HG LYS 32 2HG LYS 32 -2.010 -3.103 4.578 203 2HG LYS 32 1HG LYS 32 -1.008 -4.406 5.205 204 1HD LYS 32 2HD LYS 32 0.991 -3.287 4.140 205 2HD LYS 32 1HD LYS 32 -0.055 -1.920 3.752 206 1HE LYS 32 2HE LYS 32 1.138 -1.522 5.866 207 2HE LYS 32 1HE LYS 32 -0.598 -1.664 6.152 208 1HZ LYS 32 1HZ LYS 32 1.047 -2.977 7.626 209 2HZ LYS 32 2HZ LYS 32 1.116 -4.052 6.312 210 3HZ LYS 32 3HZ LYS 32 -0.366 -3.739 7.081 211 H MET 33 H MET 33 -0.163 -3.069 0.688 212 HA MET 33 HA MET 33 0.223 -0.364 1.536 213 1HB MET 33 2HB MET 33 0.950 -1.594 -1.140 214 2HB MET 33 1HB MET 33 1.639 -0.120 -0.455 215 1HG MET 33 2HG MET 33 2.250 -1.659 1.581 216 2HG MET 33 1HG MET 33 2.019 -2.975 0.431 217 1HE MET 33 1HE MET 33 5.743 -3.112 0.175 218 2HE MET 33 2HE MET 33 4.213 -3.980 0.068 219 3HE MET 33 3HE MET 33 4.633 -3.128 1.552 220 H ARG 34 H ARG 34 -1.810 -1.753 -1.006 221 HA ARG 34 HA ARG 34 -2.419 0.634 -2.426 222 1HB ARG 34 2HB ARG 34 -3.128 -1.507 -3.314 223 2HB ARG 34 1HB ARG 34 -4.119 -1.817 -1.896 224 1HG ARG 34 2HG ARG 34 -5.662 -0.097 -2.460 225 2HG ARG 34 1HG ARG 34 -4.578 0.574 -3.682 226 1HD ARG 34 2HD ARG 34 -4.800 -1.562 -4.973 227 2HD ARG 34 1HD ARG 34 -5.992 -2.108 -3.794 228 HE ARG 34 HE ARG 34 -6.655 0.487 -4.940 229 1HH1 ARG 34 1HH2 ARG 34 -6.747 -2.943 -5.297 230 2HH1 ARG 34 2HH2 ARG 34 -8.138 -2.933 -6.329 231 1HH2 ARG 34 1HH1 ARG 34 -8.478 0.518 -6.291 232 2HH2 ARG 34 2HH1 ARG 34 -9.116 -0.977 -6.891 233 H ALA 35 H ALA 35 -4.401 -0.880 0.156 234 HA ALA 35 HA ALA 35 -6.189 1.318 0.403 235 1HB ALA 35 1HB ALA 35 -6.618 0.404 2.718 236 2HB ALA 35 2HB ALA 35 -5.316 -0.751 2.432 237 3HB ALA 35 3HB ALA 35 -6.762 -0.784 1.423 238 H ALA 36 H ALA 36 -2.961 0.848 1.686 239 HA ALA 36 HA ALA 36 -3.012 2.802 3.757 240 1HB ALA 36 1HB ALA 36 -0.665 2.265 1.929 241 2HB ALA 36 2HB ALA 36 -1.129 1.175 3.237 242 3HB ALA 36 3HB ALA 36 -0.621 2.824 3.601 243 H ALA 37 H ALA 37 -2.209 3.122 0.291 244 HA ALA 37 HA ALA 37 -1.642 5.911 0.355 245 1HB ALA 37 1HB ALA 37 -1.294 4.178 -1.555 246 2HB ALA 37 2HB ALA 37 -1.724 5.829 -2.000 247 3HB ALA 37 3HB ALA 37 -2.954 4.565 -2.008 248 H LEU 38 H LEU 38 -4.692 4.204 -0.431 249 HA LEU 38 HA LEU 38 -6.214 6.635 -0.713 250 1HB LEU 38 2HB LEU 38 -7.328 3.951 0.116 251 2HB LEU 38 1HB LEU 38 -8.159 5.239 -0.749 252 HG LEU 38 HG LEU 38 -5.784 3.688 -1.827 253 1HD1 LEU 38 1HD1 LEU 38 -7.831 2.304 -1.615 254 2HD1 LEU 38 2HD1 LEU 38 -7.424 2.608 -3.303 255 3HD1 LEU 38 3HD1 LEU 38 -8.730 3.512 -2.533 256 1HD2 LEU 38 1HD2 LEU 38 -6.665 4.787 -3.994 257 2HD2 LEU 38 2HD2 LEU 38 -5.807 5.831 -2.860 258 3HD2 LEU 38 3HD2 LEU 38 -7.568 5.868 -2.933 259 H ASP 39 H ASP 39 -5.866 4.338 2.017 260 HA ASP 39 HA ASP 39 -7.558 5.739 3.814 261 1HB ASP 39 2HB ASP 39 -6.387 3.455 4.135 262 2HB ASP 39 1HB ASP 39 -4.989 4.392 4.673 263 H ALA 40 H ALA 40 -4.237 6.280 2.826 264 HA ALA 40 HA ALA 40 -3.643 8.274 4.824 265 1HB ALA 40 1HB ALA 40 -1.727 8.818 3.305 266 2HB ALA 40 2HB ALA 40 -2.395 7.695 2.123 267 3HB ALA 40 3HB ALA 40 -1.836 7.100 3.686 268 H GLN 41 H GLN 41 -5.477 8.281 1.917 269 HA GLN 41 HA GLN 41 -5.089 11.027 1.186 270 1HB GLN 41 2HB GLN 41 -6.691 10.633 -0.472 271 2HB GLN 41 1HB GLN 41 -6.078 9.013 -0.178 272 1HG GLN 41 2HG GLN 41 -8.158 9.130 1.649 273 2HG GLN 41 1HG GLN 41 -8.789 10.134 0.351 274 1HE2 GLN 41 1HE2 GLN 41 -7.612 8.690 -1.894 275 2HE2 GLN 41 2HE2 GLN 41 -8.355 7.170 -1.955 276 H LYS 42 H LYS 42 -7.963 11.573 0.978 277 HA LYS 42 HA LYS 42 -8.295 13.061 3.435 278 1HB LYS 42 2HB LYS 42 -10.451 12.441 1.398 279 2HB LYS 42 1HB LYS 42 -10.372 13.819 2.494 280 1HG LYS 42 2HG LYS 42 -8.441 14.717 1.318 281 2HG LYS 42 1HG LYS 42 -8.339 13.282 0.305 282 1HD LYS 42 2HD LYS 42 -9.446 14.823 -1.079 283 2HD LYS 42 1HD LYS 42 -10.765 13.865 -0.416 284 1HE LYS 42 2HE LYS 42 -11.245 15.581 1.242 285 2HE LYS 42 1HE LYS 42 -9.833 16.512 0.740 286 1HZ LYS 42 1HZ LYS 42 -12.428 16.250 -0.528 287 2HZ LYS 42 2HZ LYS 42 -11.097 16.220 -1.583 288 3HZ LYS 42 3HZ LYS 42 -11.335 17.546 -0.547 289 H ALA 43 H ALA 43 -7.904 10.594 4.361 290 HA ALA 43 HA ALA 43 -10.590 9.796 5.399 291 1HB ALA 43 1HB ALA 43 -8.555 7.750 4.490 292 2HB ALA 43 2HB ALA 43 -9.877 8.295 3.459 293 3HB ALA 43 3HB ALA 43 -10.227 7.468 4.977 294 H THR 44 H THR 44 -7.100 9.107 5.608 295 HA THR 44 HA THR 44 -7.280 9.346 8.579 296 HB THR 44 HB THR 44 -5.487 7.391 7.112 297 HG1 THR 44 1HG THR 44 -7.445 6.253 8.549 298 1HG2 THR 44 1HG2 THR 44 -5.189 6.426 9.328 299 2HG2 THR 44 2HG2 THR 44 -6.364 7.552 10.008 300 3HG2 THR 44 3HG2 THR 44 -4.821 8.149 9.397 301 HA PRO 45 HA PRO 45 -4.497 12.407 6.131 302 1HB PRO 45 2HB PRO 45 -5.254 13.601 8.793 303 2HB PRO 45 1HB PRO 45 -4.964 14.417 7.241 304 1HG PRO 45 2HG PRO 45 -7.447 13.857 8.113 305 2HG PRO 45 1HG PRO 45 -7.020 13.833 6.392 306 1HD PRO 45 2HD PRO 45 -7.710 11.564 8.139 307 2HD PRO 45 1HD PRO 45 -7.591 11.613 6.366 308 HA PRO 46 HA PRO 46 -1.343 10.202 8.750 309 1HB PRO 46 2HB PRO 46 0.397 11.288 6.568 310 2HB PRO 46 1HB PRO 46 0.318 9.643 7.231 311 1HG PRO 46 2HG PRO 46 -0.717 10.258 4.841 312 2HG PRO 46 1HG PRO 46 -1.472 9.054 5.906 313 1HD PRO 46 2HD PRO 46 -2.340 11.854 5.305 314 2HD PRO 46 1HD PRO 46 -3.323 10.425 5.685 315 H LYS 47 H LYS 47 -0.400 13.197 7.029 316 HA LYS 47 HA LYS 47 -0.001 14.567 9.611 317 1HB LYS 47 2HB LYS 47 2.317 15.303 8.828 318 2HB LYS 47 1HB LYS 47 2.192 13.628 9.361 319 1HG LYS 47 2HG LYS 47 2.051 12.838 7.084 320 2HG LYS 47 1HG LYS 47 1.939 14.482 6.465 321 1HD LYS 47 2HD LYS 47 4.333 13.693 8.118 322 2HD LYS 47 1HD LYS 47 4.259 13.208 6.427 323 1HE LYS 47 2HE LYS 47 4.050 16.051 7.468 324 2HE LYS 47 1HE LYS 47 5.433 15.349 6.631 325 1HZ LYS 47 1HZ LYS 47 4.282 16.438 4.962 326 2HZ LYS 47 2HZ LYS 47 2.758 15.987 5.564 327 3HZ LYS 47 3HZ LYS 47 3.746 14.837 4.796 328 H LEU 48 H LEU 48 -1.700 14.762 7.141 329 HA LEU 48 HA LEU 48 -0.831 17.192 5.785 330 1HB LEU 48 2HB LEU 48 -3.587 15.913 5.980 331 2HB LEU 48 1HB LEU 48 -3.148 17.202 4.864 332 HG LEU 48 HG LEU 48 -1.693 14.542 4.913 333 1HD1 LEU 48 1HD1 LEU 48 -3.136 13.803 3.082 334 2HD1 LEU 48 2HD1 LEU 48 -4.027 15.323 3.137 335 3HD1 LEU 48 3HD1 LEU 48 -4.132 14.192 4.485 336 1HD2 LEU 48 1HD2 LEU 48 -1.899 16.851 2.960 337 2HD2 LEU 48 2HD2 LEU 48 -1.291 15.268 2.482 338 3HD2 LEU 48 3HD2 LEU 48 -0.449 16.196 3.720 339 H GLU 49 H GLU 49 -4.004 17.079 7.241 340 HA GLU 49 HA GLU 49 -5.084 18.681 8.585 341 1HB GLU 49 2HB GLU 49 -3.641 17.134 10.110 342 2HB GLU 49 1HB GLU 49 -2.598 18.545 10.292 343 1HG GLU 49 2HG GLU 49 -4.777 19.824 10.891 344 2HG GLU 49 1HG GLU 49 -5.492 18.227 11.101 345 H ASP 50 H ASP 50 -3.188 19.777 6.498 346 HA ASP 50 HA ASP 50 -3.332 22.526 7.334 347 1HB ASP 50 2HB ASP 50 -1.275 21.473 8.616 348 2HB ASP 50 1HB ASP 50 -0.467 21.615 7.058 349 H LYS 51 H LYS 51 -3.839 20.655 5.029 350 HA LYS 51 HA LYS 51 -2.712 22.443 2.946 351 1HB LYS 51 2HB LYS 51 -2.244 19.462 3.103 352 2HB LYS 51 1HB LYS 51 -2.181 20.326 1.568 353 1HG LYS 51 2HG LYS 51 -0.482 21.880 2.587 354 2HG LYS 51 1HG LYS 51 -0.466 20.843 4.014 355 1HD LYS 51 2HD LYS 51 0.182 18.919 2.578 356 2HD LYS 51 1HD LYS 51 0.237 20.005 1.188 357 1HE LYS 51 2HE LYS 51 2.492 19.812 2.002 358 2HE LYS 51 1HE LYS 51 1.911 21.407 2.480 359 1HZ LYS 51 1HZ LYS 51 3.060 20.108 4.261 360 2HZ LYS 51 2HZ LYS 51 1.748 19.030 4.243 361 3HZ LYS 51 3HZ LYS 51 1.508 20.658 4.667 362 H SER 52 H SER 52 -4.612 19.370 3.160 363 HA SER 52 HA SER 52 -6.679 18.887 2.097 364 1HB SER 52 2HB SER 52 -6.947 21.183 3.596 365 2HB SER 52 1HB SER 52 -7.487 21.748 2.025 366 HG SER 52 HG SER 52 -9.287 20.812 2.607 367 HA PRO 53 HA PRO 53 -6.574 19.824 -2.235 368 1HB PRO 53 2HB PRO 53 -9.083 21.464 -2.171 369 2HB PRO 53 1HB PRO 53 -8.698 20.034 -3.153 370 1HG PRO 53 2HG PRO 53 -10.333 19.797 -1.107 371 2HG PRO 53 1HG PRO 53 -9.083 18.567 -1.387 372 1HD PRO 53 2HD PRO 53 -9.067 20.813 0.611 373 2HD PRO 53 1HD PRO 53 -8.612 19.104 0.828 374 H ASP 54 H ASP 54 -4.893 21.480 -1.043 375 HA ASP 54 HA ASP 54 -5.299 24.161 -2.301 376 1HB ASP 54 2HB ASP 54 -5.422 24.328 0.157 377 2HB ASP 54 1HB ASP 54 -3.868 23.498 0.299 378 H SER 55 H SER 55 -3.922 24.201 -4.025 379 HA SER 55 HA SER 55 -1.845 24.310 -5.111 380 1HB SER 55 2HB SER 55 -0.358 22.898 -2.933 381 2HB SER 55 1HB SER 55 0.100 24.328 -3.858 382 HG SER 55 HG SER 55 -0.429 25.230 -2.011 383 HA PRO 56 HA PRO 56 -1.183 20.324 -6.997 384 1HB PRO 56 2HB PRO 56 1.447 19.780 -5.649 385 2HB PRO 56 1HB PRO 56 1.018 19.677 -7.370 386 1HG PRO 56 2HG PRO 56 2.414 21.727 -6.488 387 2HG PRO 56 1HG PRO 56 1.096 21.989 -7.649 388 1HD PRO 56 2HD PRO 56 1.123 22.480 -4.684 389 2HD PRO 56 1HD PRO 56 0.409 23.469 -5.983 390 H GLU 57 H GLU 57 -1.496 20.517 -3.701 391 HA GLU 57 HA GLU 57 -0.992 17.975 -2.643 392 1HB GLU 57 2HB GLU 57 -1.919 19.694 -1.209 393 2HB GLU 57 1HB GLU 57 -3.380 19.796 -2.192 394 1HG GLU 57 2HG GLU 57 -3.683 18.494 -0.068 395 2HG GLU 57 1HG GLU 57 -4.055 17.559 -1.513 396 H MET 58 H MET 58 -3.637 19.018 -4.734 397 HA MET 58 HA MET 58 -5.127 16.563 -4.710 398 1HB MET 58 2HB MET 58 -4.930 18.868 -6.660 399 2HB MET 58 1HB MET 58 -5.978 17.483 -6.965 400 1HG MET 58 2HG MET 58 -7.407 18.005 -5.205 401 2HG MET 58 1HG MET 58 -6.155 18.851 -4.297 402 1HE MET 58 1HE MET 58 -9.327 19.568 -6.625 403 2HE MET 58 2HE MET 58 -8.085 18.589 -7.400 404 3HE MET 58 3HE MET 58 -8.411 20.213 -7.995 405 H LYS 59 H LYS 59 -2.888 17.850 -7.222 406 HA LYS 59 HA LYS 59 -2.902 15.464 -8.768 407 1HB LYS 59 2HB LYS 59 -0.572 17.373 -8.612 408 2HB LYS 59 1HB LYS 59 -1.076 16.383 -9.981 409 1HG LYS 59 2HG LYS 59 -3.183 17.681 -10.133 410 2HG LYS 59 1HG LYS 59 -2.647 18.680 -8.782 411 1HD LYS 59 2HD LYS 59 -1.931 20.001 -10.549 412 2HD LYS 59 1HD LYS 59 -0.491 19.017 -10.295 413 1HE LYS 59 2HE LYS 59 -0.903 18.960 -12.647 414 2HE LYS 59 1HE LYS 59 -1.461 17.405 -12.035 415 1HZ LYS 59 1HZ LYS 59 -3.023 18.560 -13.579 416 2HZ LYS 59 2HZ LYS 59 -3.242 19.747 -12.383 417 3HZ LYS 59 3HZ LYS 59 -3.693 18.137 -12.080 418 H ASP 60 H ASP 60 -0.339 16.572 -6.482 419 HA ASP 60 HA ASP 60 1.268 14.263 -6.731 420 1HB ASP 60 2HB ASP 60 1.915 16.248 -5.321 421 2HB ASP 60 1HB ASP 60 0.750 15.691 -4.119 422 H PHE 61 H PHE 61 -1.731 14.734 -4.935 423 HA PHE 61 HA PHE 61 -1.593 12.203 -3.546 424 1HB PHE 61 2HB PHE 61 -3.086 13.694 -2.534 425 2HB PHE 61 1HB PHE 61 -3.699 14.285 -4.073 426 HD1 PHE 61 1HD PHE 61 -6.036 13.994 -3.701 427 HD2 PHE 61 2HD PHE 61 -3.335 10.710 -3.118 428 HE1 PHE 61 1HE PHE 61 -7.958 12.451 -3.536 429 HE2 PHE 61 2HE PHE 61 -5.260 9.150 -2.958 430 HZ PHE 61 HZ PHE 61 -7.576 10.023 -3.162 431 H ARG 62 H ARG 62 -3.410 13.388 -6.378 432 HA ARG 62 HA ARG 62 -4.372 10.841 -7.146 433 1HB ARG 62 2HB ARG 62 -3.833 13.308 -8.798 434 2HB ARG 62 1HB ARG 62 -4.673 11.880 -9.404 435 1HG ARG 62 2HG ARG 62 -6.164 12.271 -7.192 436 2HG ARG 62 1HG ARG 62 -5.598 13.924 -7.405 437 1HD ARG 62 2HD ARG 62 -6.335 13.556 -9.895 438 2HD ARG 62 1HD ARG 62 -7.327 12.271 -9.216 439 HE ARG 62 HE ARG 62 -7.604 14.812 -7.802 440 1HH1 ARG 62 1HH2 ARG 62 -8.591 12.831 -10.443 441 2HH1 ARG 62 2HH2 ARG 62 -10.148 13.573 -10.596 442 1HH2 ARG 62 1HH1 ARG 62 -9.644 15.797 -7.986 443 2HH2 ARG 62 2HH1 ARG 62 -10.745 15.246 -9.204 444 H HIS 63 H HIS 63 -1.622 12.705 -8.460 445 HA HIS 63 HA HIS 63 -0.600 10.530 -10.024 446 1HB HIS 63 2HB HIS 63 -0.069 13.160 -9.959 447 2HB HIS 63 1HB HIS 63 1.252 12.630 -8.924 448 HD1 HIS 63 1HD HIS 63 1.911 13.814 -11.661 449 HD2 HIS 63 2HD HIS 63 1.334 9.731 -11.042 450 HE1 HIS 63 1HE HIS 63 3.086 12.628 -13.565 451 H GLY 64 H GLY 64 -0.449 11.239 -6.631 452 1HA GLY 64 2HA GLY 64 1.969 9.676 -6.118 453 2HA GLY 64 1HA GLY 64 0.887 10.329 -4.888 454 H PHE 65 H PHE 65 -1.451 9.153 -5.127 455 HA PHE 65 HA PHE 65 -0.956 6.422 -4.409 456 1HB PHE 65 2HB PHE 65 -3.174 6.357 -3.760 457 2HB PHE 65 1HB PHE 65 -2.995 8.102 -3.862 458 HD1 PHE 65 1HD PHE 65 -4.373 9.355 -5.340 459 HD2 PHE 65 2HD PHE 65 -4.042 5.110 -5.815 460 HE1 PHE 65 1HE PHE 65 -6.192 9.402 -7.026 461 HE2 PHE 65 2HE PHE 65 -5.850 5.152 -7.510 462 HZ PHE 65 HZ PHE 65 -6.928 7.300 -8.114 463 H ASP 66 H ASP 66 -1.397 7.970 -7.437 464 HA ASP 66 HA ASP 66 -2.432 5.699 -8.905 465 1HB ASP 66 2HB ASP 66 -2.607 7.950 -9.838 466 2HB ASP 66 1HB ASP 66 -0.849 8.113 -9.828 467 H ILE 67 H ILE 67 0.820 7.016 -8.375 468 HA ILE 67 HA ILE 67 2.221 5.052 -9.894 469 HB ILE 67 HB ILE 67 3.074 6.627 -7.447 470 1HG1 ILE 67 2HG1 ILE 67 3.855 7.114 -10.328 471 2HG1 ILE 67 1HG1 ILE 67 2.350 7.776 -9.682 472 1HG2 ILE 67 1HG2 ILE 67 4.608 4.864 -9.368 473 2HG2 ILE 67 2HG2 ILE 67 4.602 4.810 -7.606 474 3HG2 ILE 67 3HG2 ILE 67 5.399 6.139 -8.442 475 1HD1 ILE 67 1HD1 ILE 67 4.237 9.387 -9.494 476 2HD1 ILE 67 2HD1 ILE 67 5.103 8.230 -8.483 477 3HD1 ILE 67 3HD1 ILE 67 3.591 8.938 -7.915 478 H LEU 68 H LEU 68 1.416 5.177 -6.423 479 HA LEU 68 HA LEU 68 2.477 2.644 -5.702 480 1HB LEU 68 2HB LEU 68 0.272 4.389 -4.616 481 2HB LEU 68 1HB LEU 68 0.524 2.781 -3.935 482 HG LEU 68 HG LEU 68 2.874 4.655 -4.242 483 1HD1 LEU 68 1HD1 LEU 68 1.085 5.918 -3.050 484 2HD1 LEU 68 2HD1 LEU 68 2.462 5.554 -2.011 485 3HD1 LEU 68 3HD1 LEU 68 0.983 4.605 -1.874 486 1HD2 LEU 68 1HD2 LEU 68 2.151 2.423 -2.312 487 2HD2 LEU 68 2HD2 LEU 68 3.617 3.395 -2.203 488 3HD2 LEU 68 3HD2 LEU 68 3.358 2.348 -3.595 489 H VAL 69 H VAL 69 -0.821 3.545 -6.737 490 HA VAL 69 HA VAL 69 -1.799 0.845 -6.800 491 HB VAL 69 HB VAL 69 -2.674 3.464 -8.016 492 1HG1 VAL 69 1HG1 VAL 69 -3.715 0.719 -8.725 493 2HG1 VAL 69 2HG1 VAL 69 -3.255 2.031 -9.812 494 3HG1 VAL 69 3HG1 VAL 69 -4.728 2.160 -8.851 495 1HG2 VAL 69 1HG2 VAL 69 -4.673 3.017 -6.636 496 2HG2 VAL 69 2HG2 VAL 69 -3.206 2.935 -5.660 497 3HG2 VAL 69 3HG2 VAL 69 -4.005 1.452 -6.175 498 H GLY 70 H GLY 70 -0.082 2.869 -9.107 499 1HA GLY 70 2HA GLY 70 -0.398 1.217 -11.413 500 2HA GLY 70 1HA GLY 70 0.888 2.392 -11.177 501 H GLN 71 H GLN 71 2.075 1.128 -8.820 502 HA GLN 71 HA GLN 71 3.507 -1.027 -10.237 503 1HB GLN 71 2HB GLN 71 5.014 -0.958 -8.226 504 2HB GLN 71 1HB GLN 71 4.880 0.591 -9.057 505 1HG GLN 71 2HG GLN 71 2.980 1.093 -7.365 506 2HG GLN 71 1HG GLN 71 3.617 -0.253 -6.452 507 1HE2 GLN 71 1HE2 GLN 71 3.850 3.086 -6.740 508 2HE2 GLN 71 2HE2 GLN 71 5.416 3.294 -6.107 509 H ILE 72 H ILE 72 1.123 -0.646 -7.767 510 HA ILE 72 HA ILE 72 1.462 -3.191 -6.475 511 HB ILE 72 HB ILE 72 -0.823 -1.249 -6.795 512 1HG1 ILE 72 2HG1 ILE 72 0.542 -2.219 -4.275 513 2HG1 ILE 72 1HG1 ILE 72 1.217 -0.914 -5.251 514 1HG2 ILE 72 1HG2 ILE 72 -0.935 -4.061 -5.763 515 2HG2 ILE 72 2HG2 ILE 72 -2.175 -3.124 -6.586 516 3HG2 ILE 72 3HG2 ILE 72 -1.838 -2.831 -4.881 517 1HD1 ILE 72 1HD1 ILE 72 -0.240 0.569 -4.384 518 2HD1 ILE 72 2HD1 ILE 72 -0.725 -0.683 -3.244 519 3HD1 ILE 72 3HD1 ILE 72 -1.625 -0.465 -4.744 520 H ASP 73 H ASP 73 -0.393 -2.083 -9.286 521 HA ASP 73 HA ASP 73 -1.613 -4.642 -9.822 522 1HB ASP 73 2HB ASP 73 -2.421 -2.464 -10.778 523 2HB ASP 73 1HB ASP 73 -0.970 -2.411 -11.780 524 H ASP 74 H ASP 74 1.301 -2.974 -11.037 525 HA ASP 74 HA ASP 74 2.133 -5.025 -12.837 526 1HB ASP 74 2HB ASP 74 4.056 -3.291 -11.308 527 2HB ASP 74 1HB ASP 74 4.194 -3.898 -12.956 528 H ALA 75 H ALA 75 2.842 -4.524 -9.379 529 HA ALA 75 HA ALA 75 4.677 -6.748 -9.223 530 1HB ALA 75 1HB ALA 75 4.524 -6.424 -6.794 531 2HB ALA 75 2HB ALA 75 3.138 -5.357 -7.015 532 3HB ALA 75 3HB ALA 75 4.727 -4.875 -7.613 533 H LEU 76 H LEU 76 1.213 -6.360 -8.663 534 HA LEU 76 HA LEU 76 0.838 -8.903 -7.395 535 1HB LEU 76 2HB LEU 76 -0.819 -7.094 -7.249 536 2HB LEU 76 1HB LEU 76 -1.124 -7.209 -8.978 537 HG LEU 76 HG LEU 76 -1.397 -9.785 -7.494 538 1HD1 LEU 76 1HD1 LEU 76 -3.681 -9.180 -6.672 539 2HD1 LEU 76 2HD1 LEU 76 -3.324 -7.493 -7.040 540 3HD1 LEU 76 3HD1 LEU 76 -2.386 -8.347 -5.815 541 1HD2 LEU 76 1HD2 LEU 76 -2.000 -9.612 -9.860 542 2HD2 LEU 76 2HD2 LEU 76 -3.124 -8.304 -9.503 543 3HD2 LEU 76 3HD2 LEU 76 -3.446 -9.930 -8.905 544 H LYS 77 H LYS 77 0.517 -7.906 -10.825 545 HA LYS 77 HA LYS 77 -0.349 -10.452 -11.770 546 1HB LYS 77 2HB LYS 77 0.704 -9.791 -13.954 547 2HB LYS 77 1HB LYS 77 -0.370 -8.567 -13.316 548 1HG LYS 77 2HG LYS 77 1.374 -7.153 -12.681 549 2HG LYS 77 1HG LYS 77 2.557 -8.428 -12.655 550 1HD LYS 77 2HD LYS 77 1.280 -7.274 -15.127 551 2HD LYS 77 1HD LYS 77 2.910 -6.949 -14.551 552 1HE LYS 77 2HE LYS 77 1.853 -9.380 -15.919 553 2HE LYS 77 1HE LYS 77 3.445 -8.650 -16.003 554 1HZ LYS 77 1HZ LYS 77 3.545 -10.761 -14.874 555 2HZ LYS 77 2HZ LYS 77 2.398 -10.244 -13.733 556 3HZ LYS 77 3HZ LYS 77 3.928 -9.510 -13.797 557 H LEU 78 H LEU 78 2.855 -9.159 -11.031 558 HA LEU 78 HA LEU 78 4.374 -11.327 -12.044 559 1HB LEU 78 2HB LEU 78 4.960 -8.925 -10.860 560 2HB LEU 78 1HB LEU 78 5.345 -10.023 -9.545 561 HG LEU 78 HG LEU 78 7.350 -9.668 -10.854 562 1HD1 LEU 78 1HD1 LEU 78 7.997 -11.891 -11.142 563 2HD1 LEU 78 2HD1 LEU 78 6.435 -12.375 -11.800 564 3HD1 LEU 78 3HD1 LEU 78 6.607 -12.060 -10.072 565 1HD2 LEU 78 1HD2 LEU 78 7.476 -9.642 -13.153 566 2HD2 LEU 78 2HD2 LEU 78 5.772 -9.220 -13.018 567 3HD2 LEU 78 3HD2 LEU 78 6.245 -10.883 -13.360 568 H ALA 79 H ALA 79 2.997 -10.765 -8.793 569 HA ALA 79 HA ALA 79 3.909 -13.224 -7.684 570 1HB ALA 79 1HB ALA 79 2.192 -12.932 -5.993 571 2HB ALA 79 2HB ALA 79 1.288 -11.841 -7.043 572 3HB ALA 79 3HB ALA 79 2.844 -11.339 -6.380 573 H ASN 80 H ASN 80 0.798 -12.448 -9.249 574 HA ASN 80 HA ASN 80 -0.201 -15.118 -9.216 575 1HB ASN 80 2HB ASN 80 -0.743 -12.721 -10.961 576 2HB ASN 80 1HB ASN 80 -1.555 -14.255 -11.245 577 1HD2 ASN 80 1HD2 ASN 80 -2.240 -11.466 -9.957 578 2HD2 ASN 80 2HD2 ASN 80 -3.164 -11.891 -8.599 579 H GLU 81 H GLU 81 1.025 -13.360 -12.060 580 HA GLU 81 HA GLU 81 1.504 -15.761 -13.574 581 1HB GLU 81 2HB GLU 81 0.973 -13.611 -14.633 582 2HB GLU 81 1HB GLU 81 2.436 -12.897 -13.972 583 1HG GLU 81 2HG GLU 81 2.518 -13.618 -16.424 584 2HG GLU 81 1HG GLU 81 3.837 -14.178 -15.409 585 H GLY 82 H GLY 82 3.184 -14.794 -10.921 586 1HA GLY 82 2HA GLY 82 5.690 -16.062 -11.915 587 2HA GLY 82 1HA GLY 82 5.812 -14.517 -11.114 588 H LYS 83 H LYS 83 7.185 -16.576 -10.063 589 HA LYS 83 HA LYS 83 5.657 -17.965 -7.996 590 1HB LYS 83 2HB LYS 83 7.968 -18.591 -9.209 591 2HB LYS 83 1HB LYS 83 8.653 -17.695 -7.856 592 1HG LYS 83 2HG LYS 83 7.035 -19.211 -6.413 593 2HG LYS 83 1HG LYS 83 7.053 -20.239 -7.835 594 1HD LYS 83 2HD LYS 83 9.518 -19.286 -6.355 595 2HD LYS 83 1HD LYS 83 8.807 -20.895 -6.214 596 1HE LYS 83 2HE LYS 83 9.106 -21.157 -8.704 597 2HE LYS 83 1HE LYS 83 10.006 -19.642 -8.696 598 1HZ LYS 83 1HZ LYS 83 11.713 -20.554 -7.484 599 2HZ LYS 83 2HZ LYS 83 11.261 -21.870 -8.456 600 3HZ LYS 83 3HZ LYS 83 10.752 -21.794 -6.837 601 H VAL 84 H VAL 84 7.399 -17.617 -5.762 602 HA VAL 84 HA VAL 84 6.576 -14.890 -4.947 603 HB VAL 84 HB VAL 84 6.159 -16.931 -3.465 604 1HG1 VAL 84 1HG1 VAL 84 8.419 -17.977 -3.817 605 2HG1 VAL 84 2HG1 VAL 84 7.994 -17.768 -2.123 606 3HG1 VAL 84 3HG1 VAL 84 9.127 -16.656 -2.884 607 1HG2 VAL 84 1HG2 VAL 84 5.972 -14.756 -2.511 608 2HG2 VAL 84 2HG2 VAL 84 7.717 -14.529 -2.499 609 3HG2 VAL 84 3HG2 VAL 84 6.968 -15.683 -1.395 610 H LYS 85 H LYS 85 9.427 -16.858 -5.530 611 HA LYS 85 HA LYS 85 11.381 -15.020 -4.546 612 1HB LYS 85 2HB LYS 85 11.878 -17.386 -5.079 613 2HB LYS 85 1HB LYS 85 11.536 -17.079 -6.778 614 1HG LYS 85 2HG LYS 85 13.867 -16.944 -6.701 615 2HG LYS 85 1HG LYS 85 13.403 -15.257 -6.578 616 1HD LYS 85 2HD LYS 85 13.622 -15.381 -4.112 617 2HD LYS 85 1HD LYS 85 14.104 -17.071 -4.251 618 1HE LYS 85 2HE LYS 85 15.566 -14.714 -5.476 619 2HE LYS 85 1HE LYS 85 16.077 -15.605 -4.043 620 1HZ LYS 85 1HZ LYS 85 15.668 -17.548 -5.894 621 2HZ LYS 85 2HZ LYS 85 17.177 -16.897 -5.463 622 3HZ LYS 85 3HZ LYS 85 16.342 -16.293 -6.814 623 H GLU 86 H GLU 86 10.079 -15.590 -7.833 624 HA GLU 86 HA GLU 86 11.439 -13.405 -9.068 625 1HB GLU 86 2HB GLU 86 8.683 -14.415 -9.819 626 2HB GLU 86 1HB GLU 86 9.874 -13.660 -10.877 627 1HG GLU 86 2HG GLU 86 10.194 -16.336 -9.481 628 2HG GLU 86 1HG GLU 86 9.854 -16.103 -11.197 629 H ALA 87 H ALA 87 8.310 -13.652 -7.403 630 HA ALA 87 HA ALA 87 7.491 -10.939 -7.907 631 1HB ALA 87 1HB ALA 87 6.728 -12.538 -5.462 632 2HB ALA 87 2HB ALA 87 6.068 -12.883 -7.054 633 3HB ALA 87 3HB ALA 87 5.779 -11.315 -6.310 634 H GLN 88 H GLN 88 9.161 -12.418 -5.090 635 HA GLN 88 HA GLN 88 9.293 -10.015 -3.585 636 1HB GLN 88 2HB GLN 88 10.538 -11.226 -2.083 637 2HB GLN 88 1HB GLN 88 9.999 -12.575 -3.072 638 1HG GLN 88 2HG GLN 88 12.311 -12.907 -2.882 639 2HG GLN 88 1HG GLN 88 12.147 -12.160 -4.461 640 1HE2 GLN 88 1HE2 GLN 88 11.476 -9.710 -2.322 641 2HE2 GLN 88 2HE2 GLN 88 13.031 -9.057 -2.140 642 H ALA 89 H ALA 89 11.219 -11.192 -6.260 643 HA ALA 89 HA ALA 89 13.419 -9.391 -6.061 644 1HB ALA 89 1HB ALA 89 13.891 -9.954 -8.313 645 2HB ALA 89 2HB ALA 89 12.192 -10.243 -8.688 646 3HB ALA 89 3HB ALA 89 13.078 -11.383 -7.677 647 H ALA 90 H ALA 90 10.228 -9.054 -7.585 648 HA ALA 90 HA ALA 90 10.604 -6.501 -8.762 649 1HB ALA 90 1HB ALA 90 8.146 -7.876 -7.662 650 2HB ALA 90 2HB ALA 90 8.634 -7.719 -9.348 651 3HB ALA 90 3HB ALA 90 8.074 -6.305 -8.456 652 H ALA 91 H ALA 91 9.664 -7.447 -5.474 653 HA ALA 91 HA ALA 91 9.042 -4.832 -4.512 654 1HB ALA 91 1HB ALA 91 10.271 -7.106 -2.928 655 2HB ALA 91 2HB ALA 91 8.554 -6.992 -3.313 656 3HB ALA 91 3HB ALA 91 9.312 -5.769 -2.293 657 H GLU 92 H GLU 92 12.105 -6.600 -4.783 658 HA GLU 92 HA GLU 92 13.736 -4.812 -3.300 659 1HB GLU 92 2HB GLU 92 14.509 -6.409 -5.760 660 2HB GLU 92 1HB GLU 92 15.614 -5.762 -4.545 661 1HG GLU 92 2HG GLU 92 14.242 -7.113 -2.834 662 2HG GLU 92 1HG GLU 92 13.564 -7.949 -4.226 663 H GLN 93 H GLN 93 13.243 -4.896 -6.866 664 HA GLN 93 HA GLN 93 14.654 -2.436 -7.288 665 1HB GLN 93 2HB GLN 93 13.272 -2.346 -9.456 666 2HB GLN 93 1HB GLN 93 14.298 -3.761 -9.229 667 1HG GLN 93 2HG GLN 93 12.366 -5.036 -8.394 668 2HG GLN 93 1HG GLN 93 11.337 -3.623 -8.612 669 1HE2 GLN 93 1HE2 GLN 93 12.670 -6.377 -10.206 670 2HE2 GLN 93 2HE2 GLN 93 12.166 -5.986 -11.778 671 H LEU 94 H LEU 94 11.263 -3.135 -6.535 672 HA LEU 94 HA LEU 94 10.456 -0.345 -6.809 673 1HB LEU 94 2HB LEU 94 9.106 -2.747 -5.552 674 2HB LEU 94 1HB LEU 94 8.375 -1.147 -5.601 675 HG LEU 94 HG LEU 94 9.280 -2.697 -8.048 676 1HD1 LEU 94 1HD1 LEU 94 6.531 -2.290 -6.838 677 2HD1 LEU 94 2HD1 LEU 94 7.397 -3.820 -6.996 678 3HD1 LEU 94 3HD1 LEU 94 6.825 -2.976 -8.436 679 1HD2 LEU 94 1HD2 LEU 94 7.575 -0.888 -9.034 680 2HD2 LEU 94 2HD2 LEU 94 9.267 -0.483 -8.779 681 3HD2 LEU 94 3HD2 LEU 94 8.056 0.017 -7.598 682 H LYS 95 H LYS 95 12.083 -2.185 -4.402 683 HA LYS 95 HA LYS 95 11.142 -0.717 -2.090 684 1HB LYS 95 2HB LYS 95 12.248 -2.888 -1.827 685 2HB LYS 95 1HB LYS 95 13.725 -2.250 -2.538 686 1HG LYS 95 2HG LYS 95 12.698 -0.691 -0.214 687 2HG LYS 95 1HG LYS 95 13.231 -2.322 0.173 688 1HD LYS 95 2HD LYS 95 15.406 -1.851 -0.950 689 2HD LYS 95 1HD LYS 95 14.879 -0.194 -1.232 690 1HE LYS 95 2HE LYS 95 15.035 -1.474 1.509 691 2HE LYS 95 1HE LYS 95 16.301 -0.456 0.821 692 1HZ LYS 95 1HZ LYS 95 14.694 1.337 0.613 693 2HZ LYS 95 2HZ LYS 95 14.817 0.824 2.227 694 3HZ LYS 95 3HZ LYS 95 13.482 0.358 1.286 695 H THR 96 H THR 96 13.958 -0.363 -4.252 696 HA THR 96 HA THR 96 14.992 1.944 -2.842 697 HB THR 96 HB THR 96 16.558 0.782 -4.211 698 HG1 THR 96 1HG THR 96 16.542 2.544 -6.100 699 1HG2 THR 96 1HG2 THR 96 16.138 0.544 -6.697 700 2HG2 THR 96 2HG2 THR 96 14.481 1.067 -6.394 701 3HG2 THR 96 3HG2 THR 96 15.081 -0.428 -5.673 702 H THR 97 H THR 97 12.688 1.457 -5.477 703 HA THR 97 HA THR 97 12.474 4.346 -5.984 704 HB THR 97 HB THR 97 11.071 1.901 -7.093 705 HG1 THR 97 1HG THR 97 12.823 2.021 -8.239 706 1HG2 THR 97 1HG2 THR 97 10.144 3.593 -8.764 707 2HG2 THR 97 2HG2 THR 97 10.592 4.834 -7.595 708 3HG2 THR 97 3HG2 THR 97 9.413 3.597 -7.161 709 H GLY 98 H GLY 98 9.837 2.014 -5.535 710 1HA GLY 98 2HA GLY 98 7.828 2.239 -4.351 711 2HA GLY 98 1HA GLY 98 8.885 2.712 -3.022 712 H ARG 99 H ARG 99 9.076 4.889 -2.503 713 HA ARG 99 HA ARG 99 6.957 6.635 -3.506 714 1HB ARG 99 2HB ARG 99 8.211 8.299 -1.904 715 2HB ARG 99 1HB ARG 99 7.300 6.964 -1.212 716 1HG ARG 99 2HG ARG 99 10.135 6.321 -1.884 717 2HG ARG 99 1HG ARG 99 9.931 7.509 -0.604 718 1HD ARG 99 2HD ARG 99 10.003 4.946 -0.010 719 2HD ARG 99 1HD ARG 99 8.871 6.001 0.819 720 HE ARG 99 HE ARG 99 8.140 4.179 -1.448 721 1HH1 ARG 99 1HH2 ARG 99 7.256 6.055 1.363 722 2HH1 ARG 99 2HH2 ARG 99 5.662 5.395 1.427 723 1HH2 ARG 99 1HH1 ARG 99 6.064 3.358 -1.332 724 2HH2 ARG 99 2HH1 ARG 99 4.991 3.887 -0.080 725 H ALA 100 H ALA 100 8.005 9.102 -3.668 726 HA ALA 100 HA ALA 100 10.461 9.189 -5.231 727 1HB ALA 100 1HB ALA 100 7.774 9.514 -6.589 728 2HB ALA 100 2HB ALA 100 9.053 8.373 -7.003 729 3HB ALA 100 3HB ALA 100 9.287 10.097 -7.286 730 H GLY 101 H GLY 101 7.391 11.028 -5.029 731 1HA GLY 101 2HA GLY 101 8.861 13.544 -4.781 732 2HA GLY 101 1HA GLY 101 7.108 13.358 -4.731 733 H ASN 102 H ASN 102 6.393 12.041 -2.663 734 HA ASN 102 HA ASN 102 6.225 11.973 -0.339 735 1HB ASN 102 2HB ASN 102 8.698 11.208 -0.754 736 2HB ASN 102 1HB ASN 102 9.116 12.795 -0.111 737 1HD2 ASN 102 1HD2 ASN 102 8.020 13.318 2.093 738 2HD2 ASN 102 2HD2 ASN 102 7.853 12.036 3.193 739 H GLN 103 H GLN 103 8.094 14.724 -1.612 740 HA GLN 103 HA GLN 103 6.998 16.462 0.527 741 1HB GLN 103 2HB GLN 103 9.502 16.363 -0.482 742 2HB GLN 103 1HB GLN 103 8.812 17.521 -1.621 743 1HG GLN 103 2HG GLN 103 7.974 18.823 0.382 744 2HG GLN 103 1HG GLN 103 8.942 17.757 1.396 745 1HE2 GLN 103 1HE2 GLN 103 9.393 19.729 -1.607 746 2HE2 GLN 103 2HE2 GLN 103 10.939 20.284 -1.178 747 H LYS 104 H LYS 104 7.179 18.811 -1.225 748 HA LYS 104 HA LYS 104 5.759 20.110 -2.510 749 1HB LYS 104 2HB LYS 104 6.686 19.000 -4.361 750 2HB LYS 104 1HB LYS 104 5.871 17.497 -3.971 751 1HG LYS 104 2HG LYS 104 3.682 18.495 -4.595 752 2HG LYS 104 1HG LYS 104 4.486 20.038 -4.905 753 1HD LYS 104 2HD LYS 104 5.736 19.120 -6.743 754 2HD LYS 104 1HD LYS 104 5.230 17.479 -6.344 755 1HE LYS 104 2HE LYS 104 2.904 18.033 -6.895 756 2HE LYS 104 1HE LYS 104 3.362 19.705 -7.220 757 1HZ LYS 104 1HZ LYS 104 3.181 18.158 -9.195 758 2HZ LYS 104 2HZ LYS 104 4.616 17.436 -8.641 759 3HZ LYS 104 3HZ LYS 104 4.601 19.077 -9.079 760 H GLY 105 H GLY 105 3.633 20.723 -1.806 761 1HA GLY 105 2HA GLY 105 1.400 20.446 -1.154 762 2HA GLY 105 1HA GLY 105 1.384 19.157 -2.367 763 H GLY 106 H GLY 106 3.764 18.437 -0.144 764 1HA GLY 106 2HA GLY 106 1.942 17.054 1.754 765 2HA GLY 106 1HA GLY 106 3.073 16.067 0.827 Start of MODEL 2 1 1H ALA 1 1HT ALA 1 -20.347 -34.292 16.751 2 2H ALA 1 2HT ALA 1 -20.994 -35.005 15.352 3 3H ALA 1 3HT ALA 1 -21.409 -33.410 15.765 4 HA ALA 1 HA ALA 1 -18.572 -33.879 15.475 5 1HB ALA 1 1HB ALA 1 -19.845 -35.296 13.684 6 2HB ALA 1 2HB ALA 1 -18.526 -34.249 13.162 7 3HB ALA 1 3HB ALA 1 -20.200 -33.734 12.944 8 H ASP 2 H ASP 2 -17.665 -31.860 15.337 9 HA ASP 2 HA ASP 2 -19.435 -29.523 15.276 10 1HB ASP 2 2HB ASP 2 -16.437 -29.277 15.186 11 2HB ASP 2 1HB ASP 2 -17.614 -28.315 16.083 12 H LEU 3 H LEU 3 -20.236 -29.276 13.190 13 HA LEU 3 HA LEU 3 -18.451 -29.473 10.870 14 1HB LEU 3 2HB LEU 3 -21.267 -28.367 10.905 15 2HB LEU 3 1HB LEU 3 -20.418 -29.140 9.565 16 HG LEU 3 HG LEU 3 -21.337 -30.486 12.128 17 1HD1 LEU 3 1HD1 LEU 3 -22.745 -31.815 10.567 18 2HD1 LEU 3 2HD1 LEU 3 -22.175 -30.820 9.227 19 3HD1 LEU 3 3HD1 LEU 3 -23.146 -30.099 10.508 20 1HD2 LEU 3 1HD2 LEU 3 -19.595 -31.403 9.836 21 2HD2 LEU 3 2HD2 LEU 3 -20.522 -32.560 10.793 22 3HD2 LEU 3 3HD2 LEU 3 -19.302 -31.550 11.569 23 H GLU 4 H GLU 4 -18.034 -27.409 13.052 24 HA GLU 4 HA GLU 4 -18.636 -24.858 11.717 25 1HB GLU 4 2HB GLU 4 -16.986 -24.144 13.790 26 2HB GLU 4 1HB GLU 4 -18.724 -24.373 13.965 27 1HG GLU 4 2HG GLU 4 -18.434 -26.628 14.731 28 2HG GLU 4 1HG GLU 4 -16.713 -26.601 14.345 29 H ASP 5 H ASP 5 -15.537 -26.085 13.030 30 HA ASP 5 HA ASP 5 -14.066 -24.463 11.115 31 1HB ASP 5 2HB ASP 5 -13.111 -24.884 13.318 32 2HB ASP 5 1HB ASP 5 -13.139 -26.628 13.032 33 H ASN 6 H ASN 6 -13.874 -25.039 9.000 34 HA ASN 6 HA ASN 6 -13.182 -27.843 8.324 35 1HB ASN 6 2HB ASN 6 -15.460 -26.374 6.958 36 2HB ASN 6 1HB ASN 6 -14.901 -28.016 6.613 37 1HD2 ASN 6 1HD2 ASN 6 -17.155 -26.259 8.457 38 2HD2 ASN 6 2HD2 ASN 6 -17.529 -27.460 9.596 39 H ASP 7 H ASP 7 -11.516 -25.580 8.301 40 HA ASP 7 HA ASP 7 -10.819 -25.483 5.434 41 1HB ASP 7 2HB ASP 7 -10.586 -22.974 5.549 42 2HB ASP 7 1HB ASP 7 -12.253 -23.549 5.614 43 H GLU 8 H GLU 8 -8.796 -26.326 5.674 44 HA GLU 8 HA GLU 8 -6.571 -26.538 6.303 45 1HB GLU 8 2HB GLU 8 -6.867 -23.664 7.196 46 2HB GLU 8 1HB GLU 8 -5.372 -24.496 6.780 47 1HG GLU 8 2HG GLU 8 -5.854 -23.361 4.786 48 2HG GLU 8 1HG GLU 8 -6.553 -24.949 4.483 49 H THR 9 H THR 9 -8.922 -25.681 8.642 50 HA THR 9 HA THR 9 -8.924 -25.758 10.992 51 HB THR 9 HB THR 9 -9.243 -28.098 10.307 52 HG1 THR 9 1HG THR 9 -7.510 -27.723 12.516 53 1HG2 THR 9 1HG2 THR 9 -7.264 -28.574 9.021 54 2HG2 THR 9 2HG2 THR 9 -7.227 -29.634 10.427 55 3HG2 THR 9 3HG2 THR 9 -6.212 -28.198 10.386 56 H GLY 10 H GLY 10 -6.488 -24.443 9.804 57 1HA GLY 10 2HA GLY 10 -4.423 -23.619 10.603 58 2HA GLY 10 1HA GLY 10 -4.972 -24.094 12.219 59 H ASN 11 H ASN 11 -4.195 -25.764 9.212 60 HA ASN 11 HA ASN 11 -3.044 -28.010 10.685 61 1HB ASN 11 2HB ASN 11 -2.891 -29.045 8.519 62 2HB ASN 11 1HB ASN 11 -4.446 -28.218 8.603 63 1HD2 ASN 11 1HD2 ASN 11 -2.809 -28.864 6.192 64 2HD2 ASN 11 2HD2 ASN 11 -2.527 -27.382 5.415 65 H ASP 12 H ASP 12 -1.923 -25.027 9.779 66 HA ASP 12 HA ASP 12 0.859 -25.932 9.192 67 1HB ASP 12 2HB ASP 12 -0.128 -24.180 7.723 68 2HB ASP 12 1HB ASP 12 -0.379 -23.156 9.137 69 H ASN 13 H ASN 13 -1.169 -24.743 11.668 70 HA ASN 13 HA ASN 13 -0.782 -24.138 13.891 71 1HB ASN 13 2HB ASN 13 0.681 -26.253 13.685 72 2HB ASN 13 1HB ASN 13 2.038 -25.146 13.558 73 1HD2 ASN 13 1HD2 ASN 13 2.834 -24.216 15.500 74 2HD2 ASN 13 2HD2 ASN 13 2.101 -24.438 17.016 75 H GLY 14 H GLY 14 0.925 -22.780 11.326 76 1HA GLY 14 2HA GLY 14 2.010 -20.715 11.102 77 2HA GLY 14 1HA GLY 14 1.236 -20.266 12.626 78 H LYS 15 H LYS 15 3.838 -22.473 11.544 79 HA LYS 15 HA LYS 15 5.271 -22.100 14.077 80 1HB LYS 15 2HB LYS 15 6.069 -23.476 11.494 81 2HB LYS 15 1HB LYS 15 6.998 -23.531 12.991 82 1HG LYS 15 2HG LYS 15 5.362 -24.811 14.108 83 2HG LYS 15 1HG LYS 15 4.113 -24.392 12.937 84 1HD LYS 15 2HD LYS 15 5.043 -25.797 11.267 85 2HD LYS 15 1HD LYS 15 6.569 -25.951 12.135 86 1HE LYS 15 2HE LYS 15 5.206 -27.995 12.360 87 2HE LYS 15 1HE LYS 15 5.438 -27.209 13.922 88 1HZ LYS 15 1HZ LYS 15 3.280 -26.404 13.928 89 2HZ LYS 15 2HZ LYS 15 3.095 -27.964 13.276 90 3HZ LYS 15 3HZ LYS 15 3.078 -26.606 12.257 91 H GLY 16 H GLY 16 4.750 -19.865 12.005 92 1HA GLY 16 2HA GLY 16 7.502 -18.756 12.114 93 2HA GLY 16 1HA GLY 16 6.770 -18.920 10.516 94 H GLY 17 H GLY 17 4.122 -18.237 11.104 95 1HA GLY 17 2HA GLY 17 2.711 -16.415 11.628 96 2HA GLY 17 1HA GLY 17 4.043 -15.681 12.522 97 H GLU 18 H GLU 18 4.389 -16.760 9.190 98 HA GLU 18 HA GLU 18 4.099 -13.999 8.168 99 1HB GLU 18 2HB GLU 18 6.566 -14.609 8.985 100 2HB GLU 18 1HB GLU 18 6.640 -15.447 7.437 101 1HG GLU 18 2HG GLU 18 5.915 -13.315 6.316 102 2HG GLU 18 1HG GLU 18 6.032 -12.507 7.881 103 H LYS 19 H LYS 19 3.040 -16.910 7.848 104 HA LYS 19 HA LYS 19 2.293 -18.251 6.079 105 1HB LYS 19 2HB LYS 19 1.131 -16.176 5.476 106 2HB LYS 19 1HB LYS 19 2.560 -15.593 4.642 107 1HG LYS 19 2HG LYS 19 0.956 -16.493 3.027 108 2HG LYS 19 1HG LYS 19 2.399 -17.503 3.047 109 1HD LYS 19 2HD LYS 19 1.329 -19.236 4.229 110 2HD LYS 19 1HD LYS 19 0.053 -18.175 4.829 111 1HE LYS 19 2HE LYS 19 0.403 -18.796 1.889 112 2HE LYS 19 1HE LYS 19 -0.612 -19.774 2.950 113 1HZ LYS 19 1HZ LYS 19 -1.326 -17.192 3.491 114 2HZ LYS 19 2HZ LYS 19 -2.202 -18.301 2.550 115 3HZ LYS 19 3HZ LYS 19 -1.132 -17.215 1.804 116 H ALA 20 H ALA 20 4.130 -16.197 3.891 117 HA ALA 20 HA ALA 20 5.861 -16.762 2.407 118 1HB ALA 20 1HB ALA 20 6.802 -18.241 4.893 119 2HB ALA 20 2HB ALA 20 7.216 -16.586 4.444 120 3HB ALA 20 3HB ALA 20 7.799 -17.936 3.471 121 H ASP 21 H ASP 21 4.522 -18.038 1.009 122 HA ASP 21 HA ASP 21 5.107 -20.933 1.116 123 1HB ASP 21 2HB ASP 21 2.912 -20.283 2.322 124 2HB ASP 21 1HB ASP 21 2.279 -19.967 0.712 125 H ASN 22 H ASN 22 3.138 -18.528 -0.749 126 HA ASN 22 HA ASN 22 4.746 -19.162 -3.126 127 1HB ASN 22 2HB ASN 22 2.923 -20.936 -3.040 128 2HB ASN 22 1HB ASN 22 1.788 -19.617 -3.319 129 1HD2 ASN 22 1HD2 ASN 22 4.509 -18.561 -4.899 130 2HD2 ASN 22 2HD2 ASN 22 4.206 -19.212 -6.437 131 H ALA 23 H ALA 23 4.926 -16.794 -2.311 132 HA ALA 23 HA ALA 23 4.589 -14.548 -2.881 133 1HB ALA 23 1HB ALA 23 4.305 -15.782 -5.207 134 2HB ALA 23 2HB ALA 23 3.848 -14.090 -5.039 135 3HB ALA 23 3HB ALA 23 2.607 -15.342 -5.003 136 H ALA 24 H ALA 24 2.255 -16.605 -1.703 137 HA ALA 24 HA ALA 24 -0.125 -15.007 -1.732 138 1HB ALA 24 1HB ALA 24 -0.145 -17.370 -0.969 139 2HB ALA 24 2HB ALA 24 -0.782 -16.305 0.284 140 3HB ALA 24 3HB ALA 24 0.861 -16.928 0.414 141 H GLN 25 H GLN 25 2.503 -15.310 0.638 142 HA GLN 25 HA GLN 25 1.610 -13.203 2.331 143 1HB GLN 25 2HB GLN 25 3.603 -13.534 3.484 144 2HB GLN 25 1HB GLN 25 3.483 -15.056 2.605 145 1HG GLN 25 2HG GLN 25 5.052 -14.299 0.936 146 2HG GLN 25 1HG GLN 25 5.106 -12.677 1.642 147 1HE2 GLN 25 1HE2 GLN 25 7.521 -13.265 1.810 148 2HE2 GLN 25 2HE2 GLN 25 8.012 -14.099 3.206 149 H VAL 26 H VAL 26 3.694 -13.179 -0.548 150 HA VAL 26 HA VAL 26 4.253 -10.339 -0.319 151 HB VAL 26 HB VAL 26 4.496 -12.226 -2.672 152 1HG1 VAL 26 1HG1 VAL 26 4.418 -9.986 -3.527 153 2HG1 VAL 26 2HG1 VAL 26 6.120 -10.440 -3.470 154 3HG1 VAL 26 3HG1 VAL 26 5.449 -9.385 -2.225 155 1HG2 VAL 26 1HG2 VAL 26 6.830 -12.379 -2.031 156 2HG2 VAL 26 2HG2 VAL 26 5.853 -12.747 -0.612 157 3HG2 VAL 26 3HG2 VAL 26 6.610 -11.163 -0.771 158 H LYS 27 H LYS 27 1.729 -12.252 -1.887 159 HA LYS 27 HA LYS 27 0.781 -10.131 -3.591 160 1HB LYS 27 2HB LYS 27 -0.435 -12.673 -2.525 161 2HB LYS 27 1HB LYS 27 -1.413 -11.536 -3.452 162 1HG LYS 27 2HG LYS 27 -0.249 -11.907 -5.427 163 2HG LYS 27 1HG LYS 27 1.251 -12.334 -4.599 164 1HD LYS 27 2HD LYS 27 0.167 -14.301 -5.676 165 2HD LYS 27 1HD LYS 27 0.305 -14.484 -3.929 166 1HE LYS 27 2HE LYS 27 -1.976 -14.296 -3.587 167 2HE LYS 27 1HE LYS 27 -2.202 -13.212 -4.961 168 1HZ LYS 27 1HZ LYS 27 -3.149 -15.215 -5.614 169 2HZ LYS 27 2HZ LYS 27 -1.882 -16.147 -4.977 170 3HZ LYS 27 3HZ LYS 27 -1.630 -15.217 -6.374 171 H ASP 28 H ASP 28 -0.578 -11.370 -0.495 172 HA ASP 28 HA ASP 28 -2.525 -9.319 -0.184 173 1HB ASP 28 2HB ASP 28 -2.224 -9.846 2.328 174 2HB ASP 28 1HB ASP 28 -2.700 -11.185 1.283 175 H ALA 29 H ALA 29 0.920 -9.297 0.357 176 HA ALA 29 HA ALA 29 1.048 -7.004 2.054 177 1HB ALA 29 1HB ALA 29 3.084 -7.705 -0.070 178 2HB ALA 29 2HB ALA 29 2.947 -8.629 1.429 179 3HB ALA 29 3HB ALA 29 3.364 -6.911 1.478 180 H LEU 30 H LEU 30 1.019 -7.378 -1.490 181 HA LEU 30 HA LEU 30 1.274 -4.611 -2.031 182 1HB LEU 30 2HB LEU 30 -0.341 -6.541 -3.698 183 2HB LEU 30 1HB LEU 30 0.470 -5.075 -4.237 184 HG LEU 30 HG LEU 30 2.008 -7.350 -2.995 185 1HD1 LEU 30 1HD1 LEU 30 1.604 -6.937 -5.960 186 2HD1 LEU 30 2HD1 LEU 30 0.722 -8.140 -5.020 187 3HD1 LEU 30 3HD1 LEU 30 2.475 -8.250 -5.168 188 1HD2 LEU 30 1HD2 LEU 30 3.833 -6.316 -4.422 189 2HD2 LEU 30 2HD2 LEU 30 3.259 -5.310 -3.094 190 3HD2 LEU 30 3HD2 LEU 30 2.724 -4.984 -4.743 191 H THR 31 H THR 31 -1.577 -6.612 -1.337 192 HA THR 31 HA THR 31 -3.516 -4.521 -1.731 193 HB THR 31 HB THR 31 -4.987 -5.948 -0.286 194 HG1 THR 31 1HG THR 31 -2.610 -6.868 0.462 195 1HG2 THR 31 1HG2 THR 31 -4.860 -6.402 -2.686 196 2HG2 THR 31 2HG2 THR 31 -4.984 -7.918 -1.796 197 3HG2 THR 31 3HG2 THR 31 -3.427 -7.397 -2.438 198 H LYS 32 H LYS 32 -1.440 -5.413 0.956 199 HA LYS 32 HA LYS 32 -2.750 -3.860 2.971 200 1HB LYS 32 2HB LYS 32 -0.990 -5.584 3.405 201 2HB LYS 32 1HB LYS 32 0.203 -4.499 2.708 202 1HG LYS 32 2HG LYS 32 -1.509 -3.342 4.879 203 2HG LYS 32 1HG LYS 32 -0.354 -4.573 5.379 204 1HD LYS 32 2HD LYS 32 1.440 -3.251 4.160 205 2HD LYS 32 1HD LYS 32 0.248 -1.965 3.958 206 1HE LYS 32 2HE LYS 32 1.389 -3.070 6.519 207 2HE LYS 32 1HE LYS 32 1.431 -1.407 5.934 208 1HZ LYS 32 1HZ LYS 32 -1.182 -1.841 5.977 209 2HZ LYS 32 2HZ LYS 32 -0.327 -1.201 7.297 210 3HZ LYS 32 3HZ LYS 32 -0.712 -2.856 7.253 211 H MET 33 H MET 33 0.044 -3.104 0.853 212 HA MET 33 HA MET 33 0.313 -0.385 1.706 213 1HB MET 33 2HB MET 33 0.974 -1.549 -1.020 214 2HB MET 33 1HB MET 33 1.619 -0.051 -0.348 215 1HG MET 33 2HG MET 33 2.418 -1.592 1.627 216 2HG MET 33 1HG MET 33 2.200 -2.899 0.466 217 1HE MET 33 1HE MET 33 3.090 -2.979 -1.784 218 2HE MET 33 2HE MET 33 4.409 -3.689 -0.859 219 3HE MET 33 3HE MET 33 4.767 -2.551 -2.153 220 H ARG 34 H ARG 34 -1.867 -1.916 -0.596 221 HA ARG 34 HA ARG 34 -2.707 0.379 -2.057 222 1HB ARG 34 2HB ARG 34 -3.428 -1.868 -2.716 223 2HB ARG 34 1HB ARG 34 -4.295 -2.058 -1.201 224 1HG ARG 34 2HG ARG 34 -5.889 -0.417 -1.756 225 2HG ARG 34 1HG ARG 34 -4.908 0.215 -3.078 226 1HD ARG 34 2HD ARG 34 -5.202 -1.962 -4.278 227 2HD ARG 34 1HD ARG 34 -6.290 -2.484 -2.989 228 HE ARG 34 HE ARG 34 -7.086 0.079 -4.074 229 1HH1 ARG 34 1HH2 ARG 34 -7.140 -3.341 -4.602 230 2HH1 ARG 34 2HH2 ARG 34 -8.601 -3.294 -5.531 231 1HH2 ARG 34 1HH1 ARG 34 -8.994 0.134 -5.261 232 2HH2 ARG 34 2HH1 ARG 34 -9.629 -1.333 -5.926 233 H ALA 35 H ALA 35 -4.332 -1.085 0.773 234 HA ALA 35 HA ALA 35 -6.111 1.103 1.148 235 1HB ALA 35 1HB ALA 35 -4.985 -0.838 3.185 236 2HB ALA 35 2HB ALA 35 -6.475 -1.037 2.262 237 3HB ALA 35 3HB ALA 35 -6.351 0.239 3.473 238 H ALA 36 H ALA 36 -2.750 0.672 2.093 239 HA ALA 36 HA ALA 36 -2.557 2.735 4.053 240 1HB ALA 36 1HB ALA 36 -0.358 2.130 2.075 241 2HB ALA 36 2HB ALA 36 -0.791 0.983 3.342 242 3HB ALA 36 3HB ALA 36 -0.219 2.597 3.771 243 H ALA 37 H ALA 37 -2.094 2.896 0.495 244 HA ALA 37 HA ALA 37 -1.464 5.677 0.435 245 1HB ALA 37 1HB ALA 37 -3.035 4.249 -1.720 246 2HB ALA 37 2HB ALA 37 -1.315 3.958 -1.481 247 3HB ALA 37 3HB ALA 37 -1.880 5.573 -1.904 248 H LEU 38 H LEU 38 -4.562 3.952 0.140 249 HA LEU 38 HA LEU 38 -6.192 6.324 -0.087 250 1HB LEU 38 2HB LEU 38 -7.030 3.637 1.018 251 2HB LEU 38 1HB LEU 38 -8.061 4.846 0.264 252 HG LEU 38 HG LEU 38 -5.811 3.374 -1.138 253 1HD1 LEU 38 1HD1 LEU 38 -7.429 1.706 -0.882 254 2HD1 LEU 38 2HD1 LEU 38 -7.938 2.436 -2.402 255 3HD1 LEU 38 3HD1 LEU 38 -8.770 2.849 -0.903 256 1HD2 LEU 38 1HD2 LEU 38 -7.873 5.412 -2.006 257 2HD2 LEU 38 2HD2 LEU 38 -7.095 4.338 -3.165 258 3HD2 LEU 38 3HD2 LEU 38 -6.124 5.466 -2.222 259 H ASP 39 H ASP 39 -5.052 4.375 2.625 260 HA ASP 39 HA ASP 39 -6.739 5.415 4.643 261 1HB ASP 39 2HB ASP 39 -5.089 3.503 4.899 262 2HB ASP 39 1HB ASP 39 -3.820 4.722 5.041 263 H ALA 40 H ALA 40 -3.421 6.493 3.815 264 HA ALA 40 HA ALA 40 -3.582 8.825 5.471 265 1HB ALA 40 1HB ALA 40 -1.462 7.716 4.564 266 2HB ALA 40 2HB ALA 40 -1.498 9.479 4.516 267 3HB ALA 40 3HB ALA 40 -1.799 8.550 3.048 268 H GLN 41 H GLN 41 -4.948 8.122 2.428 269 HA GLN 41 HA GLN 41 -4.973 10.815 1.362 270 1HB GLN 41 2HB GLN 41 -5.323 8.499 0.167 271 2HB GLN 41 1HB GLN 41 -7.004 8.695 0.651 272 1HG GLN 41 2HG GLN 41 -6.426 11.192 -0.430 273 2HG GLN 41 1HG GLN 41 -5.463 10.126 -1.446 274 1HE2 GLN 41 1HE2 GLN 41 -7.017 7.886 -1.818 275 2HE2 GLN 41 2HE2 GLN 41 -8.521 8.296 -2.491 276 H LYS 42 H LYS 42 -7.952 10.330 0.776 277 HA LYS 42 HA LYS 42 -8.976 12.055 2.890 278 1HB LYS 42 2HB LYS 42 -10.528 10.630 0.709 279 2HB LYS 42 1HB LYS 42 -11.048 12.042 1.626 280 1HG LYS 42 2HG LYS 42 -8.523 12.139 -0.021 281 2HG LYS 42 1HG LYS 42 -10.084 12.382 -0.787 282 1HD LYS 42 2HD LYS 42 -9.545 13.967 1.702 283 2HD LYS 42 1HD LYS 42 -8.645 14.417 0.259 284 1HE LYS 42 2HE LYS 42 -11.663 14.126 0.349 285 2HE LYS 42 1HE LYS 42 -10.813 15.660 0.521 286 1HZ LYS 42 1HZ LYS 42 -10.690 15.797 -1.671 287 2HZ LYS 42 2HZ LYS 42 -11.509 14.317 -1.835 288 3HZ LYS 42 3HZ LYS 42 -9.813 14.349 -1.742 289 H ALA 43 H ALA 43 -8.178 9.958 4.310 290 HA ALA 43 HA ALA 43 -10.732 8.591 5.046 291 1HB ALA 43 1HB ALA 43 -8.106 7.249 4.418 292 2HB ALA 43 2HB ALA 43 -9.707 6.857 3.803 293 3HB ALA 43 3HB ALA 43 -9.292 6.487 5.477 294 H THR 44 H THR 44 -7.317 9.015 6.024 295 HA THR 44 HA THR 44 -8.266 9.642 8.791 296 HB THR 44 HB THR 44 -5.714 8.135 8.147 297 HG1 THR 44 1HG THR 44 -8.166 7.220 7.974 298 1HG2 THR 44 1HG2 THR 44 -5.993 9.421 10.336 299 2HG2 THR 44 2HG2 THR 44 -5.608 7.707 10.489 300 3HG2 THR 44 3HG2 THR 44 -7.262 8.263 10.739 301 HA PRO 45 HA PRO 45 -5.953 12.988 6.121 302 1HB PRO 45 2HB PRO 45 -7.615 14.141 8.362 303 2HB PRO 45 1HB PRO 45 -7.200 14.881 6.802 304 1HG PRO 45 2HG PRO 45 -9.536 13.617 7.176 305 2HG PRO 45 1HG PRO 45 -8.678 13.560 5.626 306 1HD PRO 45 2HD PRO 45 -9.137 11.363 7.519 307 2HD PRO 45 1HD PRO 45 -8.476 11.283 5.871 308 HA PRO 46 HA PRO 46 -3.080 12.947 9.756 309 1HB PRO 46 2HB PRO 46 -0.892 11.897 8.416 310 2HB PRO 46 1HB PRO 46 -2.122 10.913 9.227 311 1HG PRO 46 2HG PRO 46 -1.612 11.194 6.377 312 2HG PRO 46 1HG PRO 46 -2.684 10.062 7.211 313 1HD PRO 46 2HD PRO 46 -3.380 12.572 5.836 314 2HD PRO 46 1HD PRO 46 -4.452 11.269 6.390 315 H LYS 47 H LYS 47 -1.625 13.430 6.525 316 HA LYS 47 HA LYS 47 -0.110 15.753 7.458 317 1HB LYS 47 2HB LYS 47 -0.439 14.870 4.575 318 2HB LYS 47 1HB LYS 47 0.903 15.752 5.293 319 1HG LYS 47 2HG LYS 47 1.325 13.688 6.742 320 2HG LYS 47 1HG LYS 47 0.183 12.839 5.701 321 1HD LYS 47 2HD LYS 47 1.587 13.496 3.720 322 2HD LYS 47 1HD LYS 47 2.767 14.179 4.836 323 1HE LYS 47 2HE LYS 47 2.866 11.884 5.946 324 2HE LYS 47 1HE LYS 47 1.929 11.278 4.581 325 1HZ LYS 47 1HZ LYS 47 3.846 12.615 3.308 326 2HZ LYS 47 2HZ LYS 47 3.966 10.968 3.708 327 3HZ LYS 47 3HZ LYS 47 4.703 12.139 4.694 328 H LEU 48 H LEU 48 -3.215 15.175 6.178 329 HA LEU 48 HA LEU 48 -3.516 17.753 4.851 330 1HB LEU 48 2HB LEU 48 -5.331 15.449 5.537 331 2HB LEU 48 1HB LEU 48 -6.058 16.992 5.097 332 HG LEU 48 HG LEU 48 -4.527 16.910 3.011 333 1HD1 LEU 48 1HD1 LEU 48 -3.872 14.608 2.326 334 2HD1 LEU 48 2HD1 LEU 48 -4.393 14.009 3.900 335 3HD1 LEU 48 3HD1 LEU 48 -3.031 15.125 3.788 336 1HD2 LEU 48 1HD2 LEU 48 -6.875 16.607 2.722 337 2HD2 LEU 48 2HD2 LEU 48 -6.834 15.008 3.464 338 3HD2 LEU 48 3HD2 LEU 48 -6.112 15.261 1.874 339 H GLU 49 H GLU 49 -2.486 18.337 7.255 340 HA GLU 49 HA GLU 49 -4.697 19.118 9.079 341 1HB GLU 49 2HB GLU 49 -2.725 18.004 10.053 342 2HB GLU 49 1HB GLU 49 -1.691 19.274 9.393 343 1HG GLU 49 2HG GLU 49 -2.658 20.936 10.799 344 2HG GLU 49 1HG GLU 49 -4.007 19.887 11.237 345 H ASP 50 H ASP 50 -2.627 20.427 6.668 346 HA ASP 50 HA ASP 50 -3.823 23.062 6.830 347 1HB ASP 50 2HB ASP 50 -2.237 23.277 8.721 348 2HB ASP 50 1HB ASP 50 -0.913 22.797 7.657 349 H LYS 51 H LYS 51 -3.726 21.341 4.755 350 HA LYS 51 HA LYS 51 -1.920 22.717 2.838 351 1HB LYS 51 2HB LYS 51 -2.229 19.700 3.055 352 2HB LYS 51 1HB LYS 51 -1.349 20.547 1.782 353 1HG LYS 51 2HG LYS 51 0.175 21.512 3.477 354 2HG LYS 51 1HG LYS 51 -0.702 20.661 4.746 355 1HD LYS 51 2HD LYS 51 -0.017 18.521 3.922 356 2HD LYS 51 1HD LYS 51 0.585 19.220 2.418 357 1HE LYS 51 2HE LYS 51 1.711 20.006 5.112 358 2HE LYS 51 1HE LYS 51 2.355 18.648 4.190 359 1HZ LYS 51 1HZ LYS 51 2.085 21.405 3.127 360 2HZ LYS 51 2HZ LYS 51 2.865 20.091 2.380 361 3HZ LYS 51 3HZ LYS 51 3.512 20.785 3.791 362 H SER 52 H SER 52 -4.339 20.019 2.769 363 HA SER 52 HA SER 52 -6.192 19.785 1.312 364 1HB SER 52 2HB SER 52 -6.459 22.086 2.805 365 2HB SER 52 1HB SER 52 -6.646 22.720 1.179 366 HG SER 52 HG SER 52 -8.648 22.034 1.871 367 HA PRO 53 HA PRO 53 -5.259 20.645 -2.933 368 1HB PRO 53 2HB PRO 53 -7.476 22.645 -3.242 369 2HB PRO 53 1HB PRO 53 -7.147 21.173 -4.183 370 1HG PRO 53 2HG PRO 53 -9.109 21.180 -2.432 371 2HG PRO 53 1HG PRO 53 -8.021 19.779 -2.531 372 1HD PRO 53 2HD PRO 53 -8.022 22.001 -0.513 373 2HD PRO 53 1HD PRO 53 -7.841 20.247 -0.262 374 H ASP 54 H ASP 54 -3.722 22.195 -1.235 375 HA ASP 54 HA ASP 54 -3.561 24.885 -2.534 376 1HB ASP 54 2HB ASP 54 -3.770 25.008 -0.104 377 2HB ASP 54 1HB ASP 54 -2.420 23.886 0.102 378 H SER 55 H SER 55 -1.131 22.813 -0.943 379 HA SER 55 HA SER 55 0.843 23.483 -2.945 380 1HB SER 55 2HB SER 55 1.238 21.061 -1.238 381 2HB SER 55 1HB SER 55 2.319 22.432 -1.493 382 HG SER 55 HG SER 55 1.541 23.245 0.277 383 HA PRO 56 HA PRO 56 0.386 20.164 -5.928 384 1HB PRO 56 2HB PRO 56 2.532 18.423 -4.749 385 2HB PRO 56 1HB PRO 56 2.343 19.025 -6.414 386 1HG PRO 56 2HG PRO 56 4.149 20.084 -4.803 387 2HG PRO 56 1HG PRO 56 3.186 21.117 -5.883 388 1HD PRO 56 2HD PRO 56 2.858 20.665 -2.922 389 2HD PRO 56 1HD PRO 56 2.734 22.174 -3.855 390 H GLU 57 H GLU 57 -0.136 19.558 -2.697 391 HA GLU 57 HA GLU 57 -0.530 16.868 -2.269 392 1HB GLU 57 2HB GLU 57 -1.155 18.372 -0.520 393 2HB GLU 57 1HB GLU 57 -2.352 19.173 -1.539 394 1HG GLU 57 2HG GLU 57 -3.859 17.363 -1.408 395 2HG GLU 57 1HG GLU 57 -2.600 16.228 -0.919 396 H MET 58 H MET 58 -2.881 18.950 -4.017 397 HA MET 58 HA MET 58 -4.728 16.858 -4.592 398 1HB MET 58 2HB MET 58 -5.232 19.250 -4.949 399 2HB MET 58 1HB MET 58 -4.072 19.292 -6.276 400 1HG MET 58 2HG MET 58 -5.391 17.854 -7.623 401 2HG MET 58 1HG MET 58 -6.371 17.332 -6.250 402 1HE MET 58 1HE MET 58 -5.311 21.187 -6.805 403 2HE MET 58 2HE MET 58 -6.307 21.451 -8.234 404 3HE MET 58 3HE MET 58 -5.074 20.192 -8.250 405 H LYS 59 H LYS 59 -1.936 18.031 -6.583 406 HA LYS 59 HA LYS 59 -2.442 16.070 -8.642 407 1HB LYS 59 2HB LYS 59 0.259 17.298 -8.111 408 2HB LYS 59 1HB LYS 59 -0.424 16.760 -9.643 409 1HG LYS 59 2HG LYS 59 -2.084 18.570 -9.564 410 2HG LYS 59 1HG LYS 59 -1.448 19.085 -7.999 411 1HD LYS 59 2HD LYS 59 -0.244 20.518 -9.353 412 2HD LYS 59 1HD LYS 59 0.858 19.146 -9.350 413 1HE LYS 59 2HE LYS 59 0.693 19.655 -11.633 414 2HE LYS 59 1HE LYS 59 -0.492 18.363 -11.448 415 1HZ LYS 59 1HZ LYS 59 -1.626 19.999 -12.611 416 2HZ LYS 59 2HZ LYS 59 -0.945 21.270 -11.709 417 3HZ LYS 59 3HZ LYS 59 -2.127 20.267 -11.015 418 H ASP 60 H ASP 60 0.154 16.199 -6.154 419 HA ASP 60 HA ASP 60 1.305 13.694 -6.763 420 1HB ASP 60 2HB ASP 60 2.347 15.204 -5.112 421 2HB ASP 60 1HB ASP 60 0.983 14.944 -4.023 422 H PHE 61 H PHE 61 -1.639 14.491 -5.078 423 HA PHE 61 HA PHE 61 -2.080 11.900 -3.914 424 1HB PHE 61 2HB PHE 61 -3.443 13.606 -3.023 425 2HB PHE 61 1HB PHE 61 -3.795 14.286 -4.604 426 HD1 PHE 61 1HD PHE 61 -6.188 14.329 -4.345 427 HD2 PHE 61 2HD PHE 61 -4.022 10.659 -3.838 428 HE1 PHE 61 1HE PHE 61 -8.311 13.071 -4.370 429 HE2 PHE 61 2HE PHE 61 -6.148 9.390 -3.870 430 HZ PHE 61 HZ PHE 61 -8.301 10.596 -4.133 431 H ARG 62 H ARG 62 -3.229 13.547 -6.816 432 HA ARG 62 HA ARG 62 -4.513 11.290 -7.939 433 1HB ARG 62 2HB ARG 62 -3.343 13.740 -9.274 434 2HB ARG 62 1HB ARG 62 -4.453 12.612 -10.045 435 1HG ARG 62 2HG ARG 62 -5.375 13.664 -7.408 436 2HG ARG 62 1HG ARG 62 -5.249 14.875 -8.681 437 1HD ARG 62 2HD ARG 62 -6.678 13.506 -10.148 438 2HD ARG 62 1HD ARG 62 -6.781 12.263 -8.901 439 HE ARG 62 HE ARG 62 -7.652 14.900 -7.994 440 1HH1 ARG 62 1HH2 ARG 62 -8.507 11.975 -9.621 441 2HH1 ARG 62 2HH2 ARG 62 -10.175 12.049 -9.157 442 1HH2 ARG 62 1HH1 ARG 62 -9.837 15.008 -7.388 443 2HH2 ARG 62 2HH1 ARG 62 -10.925 13.766 -7.907 444 H HIS 63 H HIS 63 -1.412 12.769 -9.026 445 HA HIS 63 HA HIS 63 -0.720 10.496 -10.628 446 1HB HIS 63 2HB HIS 63 0.175 12.863 -10.812 447 2HB HIS 63 1HB HIS 63 1.216 12.490 -9.444 448 HD1 HIS 63 1HD HIS 63 3.179 12.939 -11.269 449 HD2 HIS 63 2HD HIS 63 0.915 9.485 -11.880 450 HE1 HIS 63 1HE HIS 63 4.484 11.498 -12.889 451 H GLY 64 H GLY 64 -0.375 11.042 -7.194 452 1HA GLY 64 2HA GLY 64 1.789 9.058 -6.925 453 2HA GLY 64 1HA GLY 64 1.016 9.914 -5.598 454 H PHE 65 H PHE 65 -1.672 9.177 -5.898 455 HA PHE 65 HA PHE 65 -1.591 6.500 -4.874 456 1HB PHE 65 2HB PHE 65 -3.775 6.852 -4.288 457 2HB PHE 65 1HB PHE 65 -3.462 8.510 -4.766 458 HD1 PHE 65 1HD PHE 65 -4.882 9.502 -6.375 459 HD2 PHE 65 2HD PHE 65 -4.554 5.226 -6.210 460 HE1 PHE 65 1HE PHE 65 -6.677 9.305 -8.053 461 HE2 PHE 65 2HE PHE 65 -6.348 5.023 -7.904 462 HZ PHE 65 HZ PHE 65 -7.418 7.060 -8.826 463 H ASP 66 H ASP 66 -1.887 7.800 -8.082 464 HA ASP 66 HA ASP 66 -2.938 5.393 -9.299 465 1HB ASP 66 2HB ASP 66 -3.081 7.568 -10.436 466 2HB ASP 66 1HB ASP 66 -1.319 7.643 -10.513 467 H ILE 67 H ILE 67 0.349 6.728 -8.964 468 HA ILE 67 HA ILE 67 1.685 4.602 -10.314 469 HB ILE 67 HB ILE 67 2.592 6.451 -8.088 470 1HG1 ILE 67 2HG1 ILE 67 3.229 6.463 -11.048 471 2HG1 ILE 67 1HG1 ILE 67 1.871 7.353 -10.355 472 1HG2 ILE 67 1HG2 ILE 67 4.901 5.688 -9.383 473 2HG2 ILE 67 2HG2 ILE 67 4.000 4.177 -9.411 474 3HG2 ILE 67 3HG2 ILE 67 4.342 4.972 -7.875 475 1HD1 ILE 67 1HD1 ILE 67 4.754 7.663 -9.467 476 2HD1 ILE 67 2HD1 ILE 67 3.379 8.627 -8.928 477 3HD1 ILE 67 3HD1 ILE 67 3.940 8.746 -10.597 478 H LEU 68 H LEU 68 0.935 5.043 -6.863 479 HA LEU 68 HA LEU 68 2.014 2.571 -5.955 480 1HB LEU 68 2HB LEU 68 -0.172 4.389 -4.919 481 2HB LEU 68 1HB LEU 68 0.261 2.900 -4.069 482 HG LEU 68 HG LEU 68 2.239 5.084 -4.805 483 1HD1 LEU 68 1HD1 LEU 68 0.652 5.946 -3.162 484 2HD1 LEU 68 2HD1 LEU 68 2.199 5.629 -2.377 485 3HD1 LEU 68 3HD1 LEU 68 0.861 4.500 -2.167 486 1HD2 LEU 68 1HD2 LEU 68 3.444 3.758 -2.805 487 2HD2 LEU 68 2HD2 LEU 68 3.590 3.224 -4.473 488 3HD2 LEU 68 3HD2 LEU 68 2.439 2.437 -3.393 489 H VAL 69 H VAL 69 -1.326 3.418 -6.855 490 HA VAL 69 HA VAL 69 -2.334 0.746 -6.643 491 HB VAL 69 HB VAL 69 -3.229 3.262 -8.057 492 1HG1 VAL 69 1HG1 VAL 69 -5.351 2.010 -8.622 493 2HG1 VAL 69 2HG1 VAL 69 -4.459 0.518 -8.319 494 3HG1 VAL 69 3HG1 VAL 69 -3.949 1.604 -9.613 495 1HG2 VAL 69 1HG2 VAL 69 -3.622 3.074 -5.644 496 2HG2 VAL 69 2HG2 VAL 69 -4.412 1.515 -5.879 497 3HG2 VAL 69 3HG2 VAL 69 -5.159 2.984 -6.504 498 H GLY 70 H GLY 70 -0.906 2.569 -9.348 499 1HA GLY 70 2HA GLY 70 -1.282 0.571 -11.360 500 2HA GLY 70 1HA GLY 70 -0.060 1.837 -11.405 501 H GLN 71 H GLN 71 1.088 0.828 -8.772 502 HA GLN 71 HA GLN 71 2.815 -1.220 -10.022 503 1HB GLN 71 2HB GLN 71 2.960 0.230 -7.358 504 2HB GLN 71 1HB GLN 71 4.177 -0.908 -7.945 505 1HG GLN 71 2HG GLN 71 4.862 0.505 -9.681 506 2HG GLN 71 1HG GLN 71 3.364 1.418 -9.684 507 1HE2 GLN 71 1HE2 GLN 71 2.974 2.641 -7.430 508 2HE2 GLN 71 2HE2 GLN 71 4.355 3.373 -6.763 509 H ILE 72 H ILE 72 0.478 -0.901 -7.447 510 HA ILE 72 HA ILE 72 0.916 -3.443 -6.221 511 HB ILE 72 HB ILE 72 -1.463 -1.597 -6.438 512 1HG1 ILE 72 2HG1 ILE 72 0.142 -2.317 -3.971 513 2HG1 ILE 72 1HG1 ILE 72 0.723 -1.100 -5.109 514 1HG2 ILE 72 1HG2 ILE 72 -2.104 -3.205 -4.304 515 2HG2 ILE 72 2HG2 ILE 72 -1.372 -4.386 -5.388 516 3HG2 ILE 72 3HG2 ILE 72 -2.750 -3.435 -5.925 517 1HD1 ILE 72 1HD1 ILE 72 -0.881 0.412 -4.530 518 2HD1 ILE 72 2HD1 ILE 72 -0.859 -0.498 -3.024 519 3HD1 ILE 72 3HD1 ILE 72 -2.104 -0.817 -4.229 520 H ASP 73 H ASP 73 -1.008 -2.410 -9.016 521 HA ASP 73 HA ASP 73 -2.211 -5.020 -9.463 522 1HB ASP 73 2HB ASP 73 -3.075 -2.768 -10.342 523 2HB ASP 73 1HB ASP 73 -1.781 -2.852 -11.536 524 H ASP 74 H ASP 74 0.566 -3.232 -10.842 525 HA ASP 74 HA ASP 74 1.359 -5.241 -12.732 526 1HB ASP 74 2HB ASP 74 3.176 -3.284 -11.314 527 2HB ASP 74 1HB ASP 74 3.483 -4.076 -12.855 528 H ALA 75 H ALA 75 2.396 -4.648 -9.386 529 HA ALA 75 HA ALA 75 4.347 -6.748 -9.384 530 1HB ALA 75 1HB ALA 75 4.097 -6.501 -6.836 531 2HB ALA 75 2HB ALA 75 2.932 -5.224 -7.194 532 3HB ALA 75 3HB ALA 75 4.606 -5.065 -7.725 533 H LEU 76 H LEU 76 0.907 -6.627 -8.635 534 HA LEU 76 HA LEU 76 0.840 -9.190 -7.326 535 1HB LEU 76 2HB LEU 76 -0.882 -7.393 -7.077 536 2HB LEU 76 1HB LEU 76 -1.411 -7.702 -8.723 537 HG LEU 76 HG LEU 76 -1.296 -10.096 -6.919 538 1HD1 LEU 76 1HD1 LEU 76 -3.642 -9.457 -6.063 539 2HD1 LEU 76 2HD1 LEU 76 -3.229 -7.804 -6.520 540 3HD1 LEU 76 3HD1 LEU 76 -2.270 -8.648 -5.304 541 1HD2 LEU 76 1HD2 LEU 76 -3.265 -9.024 -8.970 542 2HD2 LEU 76 2HD2 LEU 76 -3.502 -10.522 -8.073 543 3HD2 LEU 76 3HD2 LEU 76 -2.138 -10.361 -9.183 544 H LYS 77 H LYS 77 -0.035 -8.216 -10.670 545 HA LYS 77 HA LYS 77 -0.690 -10.844 -11.562 546 1HB LYS 77 2HB LYS 77 -0.126 -10.031 -13.840 547 2HB LYS 77 1HB LYS 77 -1.159 -8.894 -12.980 548 1HG LYS 77 2HG LYS 77 0.812 -7.527 -12.397 549 2HG LYS 77 1HG LYS 77 1.865 -8.667 -13.208 550 1HD LYS 77 2HD LYS 77 -0.332 -7.103 -14.575 551 2HD LYS 77 1HD LYS 77 1.367 -6.653 -14.555 552 1HE LYS 77 2HE LYS 77 1.189 -7.791 -16.589 553 2HE LYS 77 1HE LYS 77 1.794 -9.043 -15.502 554 1HZ LYS 77 1HZ LYS 77 -1.067 -8.838 -15.503 555 2HZ LYS 77 2HZ LYS 77 -0.080 -10.202 -15.716 556 3HZ LYS 77 3HZ LYS 77 -0.448 -9.204 -17.041 557 H LEU 78 H LEU 78 2.377 -9.143 -11.243 558 HA LEU 78 HA LEU 78 4.021 -11.048 -12.549 559 1HB LEU 78 2HB LEU 78 4.505 -8.653 -11.417 560 2HB LEU 78 1HB LEU 78 5.045 -9.666 -10.088 561 HG LEU 78 HG LEU 78 6.959 -9.214 -11.483 562 1HD1 LEU 78 1HD1 LEU 78 6.145 -11.994 -12.325 563 2HD1 LEU 78 2HD1 LEU 78 6.451 -11.620 -10.627 564 3HD1 LEU 78 3HD1 LEU 78 7.730 -11.408 -11.821 565 1HD2 LEU 78 1HD2 LEU 78 5.136 -9.092 -13.616 566 2HD2 LEU 78 2HD2 LEU 78 6.064 -10.551 -13.959 567 3HD2 LEU 78 3HD2 LEU 78 6.893 -9.013 -13.745 568 H ALA 79 H ALA 79 3.098 -10.769 -9.107 569 HA ALA 79 HA ALA 79 4.418 -13.124 -8.228 570 1HB ALA 79 1HB ALA 79 2.369 -13.128 -6.534 571 2HB ALA 79 2HB ALA 79 2.037 -11.561 -7.267 572 3HB ALA 79 3HB ALA 79 3.577 -11.842 -6.457 573 H ASN 80 H ASN 80 1.005 -12.727 -9.220 574 HA ASN 80 HA ASN 80 0.352 -15.494 -9.175 575 1HB ASN 80 2HB ASN 80 -0.766 -13.124 -10.655 576 2HB ASN 80 1HB ASN 80 -1.422 -14.737 -10.913 577 1HD2 ASN 80 1HD2 ASN 80 -2.491 -12.268 -9.504 578 2HD2 ASN 80 2HD2 ASN 80 -3.017 -12.824 -7.990 579 H GLU 81 H GLU 81 0.961 -13.490 -12.063 580 HA GLU 81 HA GLU 81 1.397 -15.782 -13.773 581 1HB GLU 81 2HB GLU 81 0.621 -13.354 -14.357 582 2HB GLU 81 1HB GLU 81 2.344 -12.986 -14.408 583 1HG GLU 81 2HG GLU 81 1.825 -13.581 -16.638 584 2HG GLU 81 1HG GLU 81 2.532 -15.051 -15.970 585 H GLY 82 H GLY 82 3.291 -14.914 -11.318 586 1HA GLY 82 2HA GLY 82 5.777 -15.707 -12.756 587 2HA GLY 82 1HA GLY 82 5.818 -14.280 -11.760 588 H LYS 83 H LYS 83 7.502 -16.344 -11.237 589 HA LYS 83 HA LYS 83 6.436 -18.134 -9.203 590 1HB LYS 83 2HB LYS 83 8.604 -18.347 -10.737 591 2HB LYS 83 1HB LYS 83 9.372 -17.436 -9.439 592 1HG LYS 83 2HG LYS 83 8.876 -19.139 -7.829 593 2HG LYS 83 1HG LYS 83 7.780 -19.962 -8.931 594 1HD LYS 83 2HD LYS 83 9.764 -20.329 -10.458 595 2HD LYS 83 1HD LYS 83 10.779 -19.731 -9.142 596 1HE LYS 83 2HE LYS 83 9.895 -21.491 -7.660 597 2HE LYS 83 1HE LYS 83 8.885 -22.091 -8.978 598 1HZ LYS 83 1HZ LYS 83 11.354 -22.969 -8.468 599 2HZ LYS 83 2HZ LYS 83 11.682 -21.766 -9.623 600 3HZ LYS 83 3HZ LYS 83 10.619 -23.037 -9.995 601 H VAL 84 H VAL 84 8.024 -17.917 -6.978 602 HA VAL 84 HA VAL 84 7.111 -15.395 -5.818 603 HB VAL 84 HB VAL 84 9.011 -17.365 -4.504 604 1HG1 VAL 84 1HG1 VAL 84 8.705 -15.263 -3.324 605 2HG1 VAL 84 2HG1 VAL 84 7.850 -16.531 -2.448 606 3HG1 VAL 84 3HG1 VAL 84 6.952 -15.397 -3.459 607 1HG2 VAL 84 1HG2 VAL 84 7.248 -18.808 -5.137 608 2HG2 VAL 84 2HG2 VAL 84 6.023 -17.563 -4.895 609 3HG2 VAL 84 3HG2 VAL 84 6.822 -18.299 -3.505 610 H LYS 85 H LYS 85 10.199 -16.844 -6.834 611 HA LYS 85 HA LYS 85 11.938 -14.832 -5.774 612 1HB LYS 85 2HB LYS 85 12.150 -16.912 -7.932 613 2HB LYS 85 1HB LYS 85 13.357 -15.630 -7.937 614 1HG LYS 85 2HG LYS 85 14.272 -17.405 -6.627 615 2HG LYS 85 1HG LYS 85 13.760 -16.177 -5.474 616 1HD LYS 85 2HD LYS 85 11.651 -17.399 -5.104 617 2HD LYS 85 1HD LYS 85 12.167 -18.630 -6.260 618 1HE LYS 85 2HE LYS 85 13.473 -17.930 -3.623 619 2HE LYS 85 1HE LYS 85 12.683 -19.449 -4.050 620 1HZ LYS 85 1HZ LYS 85 15.273 -18.384 -4.950 621 2HZ LYS 85 2HZ LYS 85 14.420 -19.467 -5.947 622 3HZ LYS 85 3HZ LYS 85 14.889 -19.935 -4.384 623 H GLU 86 H GLU 86 10.536 -15.142 -9.072 624 HA GLU 86 HA GLU 86 11.566 -12.674 -10.052 625 1HB GLU 86 2HB GLU 86 8.866 -13.861 -10.753 626 2HB GLU 86 1HB GLU 86 9.864 -12.805 -11.753 627 1HG GLU 86 2HG GLU 86 10.646 -15.580 -10.834 628 2HG GLU 86 1HG GLU 86 10.070 -15.166 -12.451 629 H ALA 87 H ALA 87 8.677 -13.436 -8.170 630 HA ALA 87 HA ALA 87 7.509 -10.821 -8.362 631 1HB ALA 87 1HB ALA 87 5.861 -11.673 -6.995 632 2HB ALA 87 2HB ALA 87 7.015 -12.457 -5.912 633 3HB ALA 87 3HB ALA 87 6.617 -13.193 -7.458 634 H GLN 88 H GLN 88 9.556 -12.321 -5.834 635 HA GLN 88 HA GLN 88 9.594 -10.056 -4.114 636 1HB GLN 88 2HB GLN 88 11.054 -11.290 -2.831 637 2HB GLN 88 1HB GLN 88 10.508 -12.577 -3.891 638 1HG GLN 88 2HG GLN 88 12.842 -12.769 -3.905 639 2HG GLN 88 1HG GLN 88 12.484 -11.942 -5.408 640 1HE2 GLN 88 1HE2 GLN 88 12.233 -10.120 -2.390 641 2HE2 GLN 88 2HE2 GLN 88 13.652 -9.221 -2.608 642 H ALA 89 H ALA 89 11.384 -10.825 -7.019 643 HA ALA 89 HA ALA 89 13.439 -8.857 -6.832 644 1HB ALA 89 1HB ALA 89 13.014 -10.706 -8.657 645 2HB ALA 89 2HB ALA 89 13.751 -9.182 -9.150 646 3HB ALA 89 3HB ALA 89 12.034 -9.467 -9.441 647 H ALA 90 H ALA 90 10.179 -8.704 -8.247 648 HA ALA 90 HA ALA 90 10.221 -5.962 -8.958 649 1HB ALA 90 1HB ALA 90 7.855 -7.638 -8.066 650 2HB ALA 90 2HB ALA 90 8.471 -7.535 -9.716 651 3HB ALA 90 3HB ALA 90 7.766 -6.115 -8.948 652 H ALA 91 H ALA 91 9.404 -7.563 -5.896 653 HA ALA 91 HA ALA 91 8.385 -5.218 -4.612 654 1HB ALA 91 1HB ALA 91 8.812 -6.439 -2.500 655 2HB ALA 91 2HB ALA 91 9.732 -7.652 -3.394 656 3HB ALA 91 3HB ALA 91 8.002 -7.457 -3.691 657 H GLU 92 H GLU 92 11.671 -6.589 -4.771 658 HA GLU 92 HA GLU 92 12.919 -4.808 -2.955 659 1HB GLU 92 2HB GLU 92 14.142 -6.000 -5.458 660 2HB GLU 92 1HB GLU 92 15.016 -5.416 -4.043 661 1HG GLU 92 2HG GLU 92 12.913 -7.429 -3.413 662 2HG GLU 92 1HG GLU 92 14.221 -8.046 -4.415 663 H GLN 93 H GLN 93 12.687 -4.488 -6.534 664 HA GLN 93 HA GLN 93 13.944 -1.918 -6.583 665 1HB GLN 93 2HB GLN 93 12.646 -1.634 -8.774 666 2HB GLN 93 1HB GLN 93 13.722 -3.024 -8.676 667 1HG GLN 93 2HG GLN 93 11.820 -4.475 -8.106 668 2HG GLN 93 1HG GLN 93 10.731 -3.087 -8.172 669 1HE2 GLN 93 1HE2 GLN 93 12.789 -5.200 -10.163 670 2HE2 GLN 93 2HE2 GLN 93 12.115 -4.741 -11.652 671 H LEU 94 H LEU 94 10.605 -2.894 -5.976 672 HA LEU 94 HA LEU 94 9.634 -0.136 -5.963 673 1HB LEU 94 2HB LEU 94 8.418 -2.802 -5.237 674 2HB LEU 94 1HB LEU 94 7.571 -1.290 -4.908 675 HG LEU 94 HG LEU 94 8.677 -1.820 -7.669 676 1HD1 LEU 94 1HD1 LEU 94 7.369 -3.801 -7.267 677 2HD1 LEU 94 2HD1 LEU 94 6.380 -2.717 -8.246 678 3HD1 LEU 94 3HD1 LEU 94 6.080 -2.865 -6.515 679 1HD2 LEU 94 1HD2 LEU 94 6.289 -0.268 -6.610 680 2HD2 LEU 94 2HD2 LEU 94 6.756 -0.379 -8.306 681 3HD2 LEU 94 3HD2 LEU 94 7.807 0.434 -7.154 682 H LYS 95 H LYS 95 10.908 -2.428 -3.612 683 HA LYS 95 HA LYS 95 9.959 -0.967 -1.290 684 1HB LYS 95 2HB LYS 95 11.048 -3.428 -1.552 685 2HB LYS 95 1HB LYS 95 12.506 -2.553 -1.115 686 1HG LYS 95 2HG LYS 95 9.930 -2.733 0.474 687 2HG LYS 95 1HG LYS 95 11.500 -3.404 0.901 688 1HD LYS 95 2HD LYS 95 12.338 -0.940 0.784 689 2HD LYS 95 1HD LYS 95 10.631 -0.516 0.879 690 1HE LYS 95 2HE LYS 95 11.743 -0.572 3.118 691 2HE LYS 95 1HE LYS 95 10.392 -1.695 2.991 692 1HZ LYS 95 1HZ LYS 95 12.386 -2.665 4.037 693 2HZ LYS 95 2HZ LYS 95 13.241 -2.437 2.588 694 3HZ LYS 95 3HZ LYS 95 11.914 -3.496 2.633 695 H THR 96 H THR 96 12.862 -0.874 -3.299 696 HA THR 96 HA THR 96 14.265 1.033 -1.659 697 HB THR 96 HB THR 96 14.640 0.686 -4.639 698 HG1 THR 96 1HG THR 96 14.892 -1.157 -2.602 699 1HG2 THR 96 1HG2 THR 96 16.866 1.281 -4.213 700 2HG2 THR 96 2HG2 THR 96 16.753 0.838 -2.510 701 3HG2 THR 96 3HG2 THR 96 15.977 2.309 -3.090 702 H THR 97 H THR 97 12.041 1.237 -4.433 703 HA THR 97 HA THR 97 12.152 4.192 -4.350 704 HB THR 97 HB THR 97 10.832 2.164 -6.178 705 HG1 THR 97 1HG THR 97 13.172 3.434 -6.131 706 1HG2 THR 97 1HG2 THR 97 10.380 4.370 -7.527 707 2HG2 THR 97 2HG2 THR 97 10.439 5.130 -5.939 708 3HG2 THR 97 3HG2 THR 97 9.250 3.874 -6.278 709 H GLY 98 H GLY 98 9.273 2.344 -5.062 710 1HA GLY 98 2HA GLY 98 7.127 2.454 -4.130 711 2HA GLY 98 1HA GLY 98 7.966 2.267 -2.590 712 H ARG 99 H ARG 99 9.024 5.011 -4.253 713 HA ARG 99 HA ARG 99 8.613 7.305 -3.990 714 1HB ARG 99 2HB ARG 99 6.137 6.330 -4.300 715 2HB ARG 99 1HB ARG 99 5.992 6.782 -2.607 716 1HG ARG 99 2HG ARG 99 5.410 8.840 -3.455 717 2HG ARG 99 1HG ARG 99 7.148 9.065 -3.623 718 1HD ARG 99 2HD ARG 99 5.215 8.089 -5.742 719 2HD ARG 99 1HD ARG 99 6.122 9.601 -5.747 720 HE ARG 99 HE ARG 99 7.179 6.948 -6.431 721 1HH1 ARG 99 1HH2 ARG 99 7.793 10.167 -5.388 722 2HH1 ARG 99 2HH2 ARG 99 9.417 10.198 -5.989 723 1HH2 ARG 99 1HH1 ARG 99 9.285 6.968 -7.257 724 2HH2 ARG 99 2HH1 ARG 99 10.254 8.394 -7.081 725 H ALA 100 H ALA 100 7.025 5.718 -1.217 726 HA ALA 100 HA ALA 100 7.662 5.649 1.041 727 1HB ALA 100 1HB ALA 100 9.926 7.579 0.585 728 2HB ALA 100 2HB ALA 100 10.069 5.938 -0.047 729 3HB ALA 100 3HB ALA 100 9.835 6.198 1.680 730 H GLY 101 H GLY 101 7.407 8.557 -0.826 731 1HA GLY 101 2HA GLY 101 5.737 9.803 1.217 732 2HA GLY 101 1HA GLY 101 7.293 10.596 0.990 733 H ASN 102 H ASN 102 7.797 11.477 -1.122 734 HA ASN 102 HA ASN 102 5.649 11.613 -3.135 735 1HB ASN 102 2HB ASN 102 6.772 14.109 -1.819 736 2HB ASN 102 1HB ASN 102 5.670 14.090 -3.180 737 1HD2 ASN 102 1HD2 ASN 102 5.509 14.904 -0.132 738 2HD2 ASN 102 2HD2 ASN 102 4.023 14.244 0.356 739 H GLN 103 H GLN 103 7.208 14.105 -4.134 740 HA GLN 103 HA GLN 103 9.764 12.819 -4.923 741 1HB GLN 103 2HB GLN 103 7.817 12.495 -6.641 742 2HB GLN 103 1HB GLN 103 8.060 14.206 -6.996 743 1HG GLN 103 2HG GLN 103 10.512 13.701 -7.307 744 2HG GLN 103 1HG GLN 103 10.107 11.987 -7.223 745 1HE2 GLN 103 1HE2 GLN 103 8.234 14.616 -8.801 746 2HE2 GLN 103 2HE2 GLN 103 8.300 13.936 -10.354 747 H LYS 104 H LYS 104 7.943 15.721 -5.913 748 HA LYS 104 HA LYS 104 10.377 17.341 -5.480 749 1HB LYS 104 2HB LYS 104 9.435 18.881 -6.945 750 2HB LYS 104 1HB LYS 104 8.688 17.395 -7.524 751 1HG LYS 104 2HG LYS 104 6.758 17.984 -5.820 752 2HG LYS 104 1HG LYS 104 7.465 19.605 -5.860 753 1HD LYS 104 2HD LYS 104 7.259 19.654 -8.310 754 2HD LYS 104 1HD LYS 104 6.572 18.033 -8.288 755 1HE LYS 104 2HE LYS 104 4.733 19.555 -8.452 756 2HE LYS 104 1HE LYS 104 4.729 18.943 -6.801 757 1HZ LYS 104 1HZ LYS 104 5.027 20.989 -6.027 758 2HZ LYS 104 2HZ LYS 104 4.800 21.577 -7.601 759 3HZ LYS 104 3HZ LYS 104 6.367 21.253 -7.028 760 H GLY 105 H GLY 105 7.260 16.682 -4.218 761 1HA GLY 105 2HA GLY 105 7.385 18.930 -2.286 762 2HA GLY 105 1HA GLY 105 5.987 17.885 -2.596 763 H GLY 106 H GLY 106 8.678 15.978 -2.622 764 1HA GLY 106 2HA GLY 106 8.174 14.994 0.133 765 2HA GLY 106 1HA GLY 106 9.017 14.111 -1.144 Start of MODEL 3 1 1H ALA 1 1HT ALA 1 -22.194 -9.769 18.107 2 2H ALA 1 2HT ALA 1 -23.866 -10.016 17.895 3 3H ALA 1 3HT ALA 1 -22.908 -9.478 16.594 4 HA ALA 1 HA ALA 1 -21.658 -11.770 17.319 5 1HB ALA 1 1HB ALA 1 -23.550 -13.428 17.396 6 2HB ALA 1 2HB ALA 1 -24.657 -12.073 17.620 7 3HB ALA 1 3HB ALA 1 -23.427 -12.417 18.834 8 H ASP 2 H ASP 2 -21.422 -10.341 15.157 9 HA ASP 2 HA ASP 2 -23.196 -11.279 12.994 10 1HB ASP 2 2HB ASP 2 -20.766 -9.450 12.940 11 2HB ASP 2 1HB ASP 2 -21.861 -9.736 11.582 12 H LEU 3 H LEU 3 -22.749 -13.364 12.352 13 HA LEU 3 HA LEU 3 -19.947 -14.315 12.307 14 1HB LEU 3 2HB LEU 3 -21.242 -16.452 11.433 15 2HB LEU 3 1HB LEU 3 -21.287 -16.039 13.142 16 HG LEU 3 HG LEU 3 -23.386 -14.856 11.339 17 1HD1 LEU 3 1HD1 LEU 3 -24.810 -16.841 11.625 18 2HD1 LEU 3 2HD1 LEU 3 -23.462 -17.702 12.374 19 3HD1 LEU 3 3HD1 LEU 3 -23.366 -17.204 10.683 20 1HD2 LEU 3 1HD2 LEU 3 -24.690 -14.747 13.275 21 2HD2 LEU 3 2HD2 LEU 3 -23.072 -14.461 13.913 22 3HD2 LEU 3 3HD2 LEU 3 -23.814 -16.049 14.079 23 H GLU 4 H GLU 4 -21.871 -12.582 10.216 24 HA GLU 4 HA GLU 4 -21.253 -14.006 7.740 25 1HB GLU 4 2HB GLU 4 -21.959 -11.533 6.854 26 2HB GLU 4 1HB GLU 4 -23.149 -12.736 7.346 27 1HG GLU 4 2HG GLU 4 -23.418 -11.746 9.501 28 2HG GLU 4 1HG GLU 4 -21.978 -10.746 9.305 29 H ASP 5 H ASP 5 -20.457 -10.603 8.399 30 HA ASP 5 HA ASP 5 -17.990 -10.850 6.881 31 1HB ASP 5 2HB ASP 5 -17.695 -8.426 7.632 32 2HB ASP 5 1HB ASP 5 -19.137 -8.765 6.686 33 H ASN 6 H ASN 6 -16.148 -11.640 7.736 34 HA ASN 6 HA ASN 6 -15.339 -10.827 10.470 35 1HB ASN 6 2HB ASN 6 -15.318 -13.713 9.538 36 2HB ASN 6 1HB ASN 6 -14.740 -13.118 11.095 37 1HD2 ASN 6 1HD2 ASN 6 -17.642 -13.842 9.207 38 2HD2 ASN 6 2HD2 ASN 6 -18.732 -13.672 10.497 39 H ASP 7 H ASP 7 -13.252 -13.065 10.042 40 HA ASP 7 HA ASP 7 -11.642 -11.818 7.872 41 1HB ASP 7 2HB ASP 7 -10.684 -12.127 10.742 42 2HB ASP 7 1HB ASP 7 -9.679 -11.625 9.378 43 H GLU 8 H GLU 8 -12.990 -14.488 8.422 44 HA GLU 8 HA GLU 8 -12.474 -16.781 8.293 45 1HB GLU 8 2HB GLU 8 -10.090 -15.750 6.748 46 2HB GLU 8 1HB GLU 8 -10.849 -17.334 6.592 47 1HG GLU 8 2HG GLU 8 -12.215 -14.690 5.996 48 2HG GLU 8 1HG GLU 8 -11.539 -15.772 4.778 49 H THR 9 H THR 9 -11.194 -15.142 10.514 50 HA THR 9 HA THR 9 -8.749 -16.776 11.030 51 HB THR 9 HB THR 9 -8.669 -14.273 11.350 52 HG1 THR 9 1HG THR 9 -8.345 -15.786 13.730 53 1HG2 THR 9 1HG2 THR 9 -11.074 -14.278 12.303 54 2HG2 THR 9 2HG2 THR 9 -9.890 -13.218 13.067 55 3HG2 THR 9 3HG2 THR 9 -10.319 -14.753 13.826 56 H GLY 10 H GLY 10 -11.667 -17.608 11.185 57 1HA GLY 10 2HA GLY 10 -11.420 -19.084 13.726 58 2HA GLY 10 1HA GLY 10 -12.820 -18.008 13.608 59 H ASN 11 H ASN 11 -11.612 -19.458 10.684 60 HA ASN 11 HA ASN 11 -14.164 -20.832 10.308 61 1HB ASN 11 2HB ASN 11 -13.413 -21.146 8.041 62 2HB ASN 11 1HB ASN 11 -12.933 -19.516 8.534 63 1HD2 ASN 11 1HD2 ASN 11 -11.407 -20.483 6.489 64 2HD2 ASN 11 2HD2 ASN 11 -9.889 -21.005 7.036 65 H ASP 12 H ASP 12 -12.657 -22.910 8.588 66 HA ASP 12 HA ASP 12 -12.140 -24.815 10.840 67 1HB ASP 12 2HB ASP 12 -13.036 -25.229 7.982 68 2HB ASP 12 1HB ASP 12 -12.471 -26.561 8.987 69 H ASN 13 H ASN 13 -10.352 -22.890 8.882 70 HA ASN 13 HA ASN 13 -7.995 -24.646 9.127 71 1HB ASN 13 2HB ASN 13 -9.375 -24.055 6.547 72 2HB ASN 13 1HB ASN 13 -7.619 -23.982 6.526 73 1HD2 ASN 13 1HD2 ASN 13 -6.431 -26.010 6.862 74 2HD2 ASN 13 2HD2 ASN 13 -7.215 -27.515 6.873 75 H GLY 14 H GLY 14 -9.090 -21.903 9.910 76 1HA GLY 14 2HA GLY 14 -7.167 -20.058 8.655 77 2HA GLY 14 1HA GLY 14 -8.358 -19.624 9.878 78 H LYS 15 H LYS 15 -6.273 -22.396 10.300 79 HA LYS 15 HA LYS 15 -5.185 -21.173 12.737 80 1HB LYS 15 2HB LYS 15 -3.858 -23.473 12.716 81 2HB LYS 15 1HB LYS 15 -5.561 -23.432 13.152 82 1HG LYS 15 2HG LYS 15 -5.058 -25.248 11.540 83 2HG LYS 15 1HG LYS 15 -6.200 -24.080 10.884 84 1HD LYS 15 2HD LYS 15 -4.605 -23.146 9.426 85 2HD LYS 15 1HD LYS 15 -3.240 -23.749 10.368 86 1HE LYS 15 2HE LYS 15 -3.619 -24.983 8.206 87 2HE LYS 15 1HE LYS 15 -3.666 -26.020 9.632 88 1HZ LYS 15 1HZ LYS 15 -5.515 -26.338 7.992 89 2HZ LYS 15 2HZ LYS 15 -6.084 -24.800 8.443 90 3HZ LYS 15 3HZ LYS 15 -6.004 -26.048 9.590 91 H GLY 16 H GLY 16 -4.351 -20.998 9.505 92 1HA GLY 16 2HA GLY 16 -1.410 -20.990 9.989 93 2HA GLY 16 1HA GLY 16 -2.193 -20.877 8.411 94 H GLY 17 H GLY 17 -4.085 -18.843 9.793 95 1HA GLY 17 2HA GLY 17 -4.134 -16.505 10.017 96 2HA GLY 17 1HA GLY 17 -2.430 -16.600 10.477 97 H GLU 18 H GLU 18 -4.483 -16.940 7.573 98 HA GLU 18 HA GLU 18 -4.102 -16.263 5.357 99 1HB GLU 18 2HB GLU 18 -3.686 -14.088 6.816 100 2HB GLU 18 1HB GLU 18 -2.010 -14.327 6.337 101 1HG GLU 18 2HG GLU 18 -3.030 -12.848 4.725 102 2HG GLU 18 1HG GLU 18 -2.802 -14.408 3.932 103 H LYS 19 H LYS 19 -2.168 -18.159 6.928 104 HA LYS 19 HA LYS 19 -0.154 -19.285 6.533 105 1HB LYS 19 2HB LYS 19 -1.249 -20.286 4.740 106 2HB LYS 19 1HB LYS 19 -1.312 -18.804 3.808 107 1HG LYS 19 2HG LYS 19 0.781 -19.133 2.889 108 2HG LYS 19 1HG LYS 19 1.467 -19.738 4.396 109 1HD LYS 19 2HD LYS 19 1.452 -21.543 2.770 110 2HD LYS 19 1HD LYS 19 0.252 -21.902 4.012 111 1HE LYS 19 2HE LYS 19 -1.554 -21.197 2.595 112 2HE LYS 19 1HE LYS 19 -0.443 -20.512 1.411 113 1HZ LYS 19 1HZ LYS 19 -0.946 -22.536 0.485 114 2HZ LYS 19 2HZ LYS 19 -1.059 -23.329 1.979 115 3HZ LYS 19 3HZ LYS 19 0.462 -22.925 1.341 116 H ALA 20 H ALA 20 1.505 -18.205 7.226 117 HA ALA 20 HA ALA 20 2.666 -15.980 5.631 118 1HB ALA 20 1HB ALA 20 4.024 -15.509 7.559 119 2HB ALA 20 2HB ALA 20 3.591 -17.049 8.307 120 3HB ALA 20 3HB ALA 20 2.382 -15.773 8.150 121 H ASP 21 H ASP 21 3.448 -17.403 3.883 122 HA ASP 21 HA ASP 21 5.962 -18.747 4.650 123 1HB ASP 21 2HB ASP 21 4.045 -20.381 4.773 124 2HB ASP 21 1HB ASP 21 3.877 -20.184 3.029 125 H ASN 22 H ASN 22 3.805 -18.045 1.779 126 HA ASN 22 HA ASN 22 6.168 -16.950 0.464 127 1HB ASN 22 2HB ASN 22 5.569 -19.737 0.180 128 2HB ASN 22 1HB ASN 22 5.277 -18.988 -1.378 129 1HD2 ASN 22 1HD2 ASN 22 7.121 -17.527 -2.174 130 2HD2 ASN 22 2HD2 ASN 22 8.703 -18.057 -1.847 131 H ALA 23 H ALA 23 3.280 -18.456 -0.986 132 HA ALA 23 HA ALA 23 2.919 -16.071 -2.643 133 1HB ALA 23 1HB ALA 23 2.699 -18.485 -3.445 134 2HB ALA 23 2HB ALA 23 1.408 -17.385 -3.932 135 3HB ALA 23 3HB ALA 23 1.145 -18.526 -2.610 136 H ALA 24 H ALA 24 1.018 -17.608 -0.058 137 HA ALA 24 HA ALA 24 -1.308 -16.003 -0.481 138 1HB ALA 24 1HB ALA 24 -0.279 -17.187 2.105 139 2HB ALA 24 2HB ALA 24 -1.289 -18.019 0.924 140 3HB ALA 24 3HB ALA 24 -1.925 -16.630 1.807 141 H GLN 25 H GLN 25 1.198 -15.574 2.010 142 HA GLN 25 HA GLN 25 0.307 -13.042 2.910 143 1HB GLN 25 2HB GLN 25 2.205 -13.101 4.243 144 2HB GLN 25 1HB GLN 25 2.051 -14.796 3.793 145 1HG GLN 25 2HG GLN 25 4.305 -14.447 3.378 146 2HG GLN 25 1HG GLN 25 3.620 -14.122 1.783 147 1HE2 GLN 25 1HE2 GLN 25 4.358 -12.188 0.881 148 2HE2 GLN 25 2HE2 GLN 25 4.834 -10.816 1.759 149 H VAL 26 H VAL 26 2.126 -13.928 0.095 150 HA VAL 26 HA VAL 26 3.278 -11.326 -0.334 151 HB VAL 26 HB VAL 26 3.004 -13.846 -1.919 152 1HG1 VAL 26 1HG1 VAL 26 3.398 -11.124 -3.158 153 2HG1 VAL 26 2HG1 VAL 26 2.485 -12.502 -3.766 154 3HG1 VAL 26 3HG1 VAL 26 4.245 -12.519 -3.832 155 1HG2 VAL 26 1HG2 VAL 26 4.932 -13.365 -0.404 156 2HG2 VAL 26 2HG2 VAL 26 5.344 -11.987 -1.427 157 3HG2 VAL 26 3HG2 VAL 26 5.414 -13.620 -2.082 158 H LYS 27 H LYS 27 0.320 -12.936 -1.624 159 HA LYS 27 HA LYS 27 -0.457 -10.711 -3.255 160 1HB LYS 27 2HB LYS 27 -1.986 -12.983 -1.982 161 2HB LYS 27 1HB LYS 27 -2.850 -11.690 -2.803 162 1HG LYS 27 2HG LYS 27 -1.812 -12.169 -4.886 163 2HG LYS 27 1HG LYS 27 -0.582 -13.185 -4.134 164 1HD LYS 27 2HD LYS 27 -2.336 -14.793 -3.458 165 2HD LYS 27 1HD LYS 27 -3.557 -13.792 -4.236 166 1HE LYS 27 2HE LYS 27 -2.099 -14.060 -6.374 167 2HE LYS 27 1HE LYS 27 -1.351 -15.405 -5.509 168 1HZ LYS 27 1HZ LYS 27 -4.261 -15.098 -6.015 169 2HZ LYS 27 2HZ LYS 27 -3.520 -16.402 -5.220 170 3HZ LYS 27 3HZ LYS 27 -3.222 -16.127 -6.871 171 H ASP 28 H ASP 28 -1.527 -11.586 0.078 172 HA ASP 28 HA ASP 28 -3.109 -9.274 0.493 173 1HB ASP 28 2HB ASP 28 -3.085 -11.165 2.079 174 2HB ASP 28 1HB ASP 28 -1.425 -10.759 2.534 175 H ALA 29 H ALA 29 0.378 -9.661 0.558 176 HA ALA 29 HA ALA 29 0.989 -7.229 1.960 177 1HB ALA 29 1HB ALA 29 2.581 -9.176 1.413 178 2HB ALA 29 2HB ALA 29 3.232 -7.552 1.188 179 3HB ALA 29 3HB ALA 29 2.689 -8.490 -0.204 180 H LEU 30 H LEU 30 0.751 -8.008 -1.499 181 HA LEU 30 HA LEU 30 1.306 -5.422 -2.447 182 1HB LEU 30 2HB LEU 30 -0.553 -7.467 -3.655 183 2HB LEU 30 1HB LEU 30 0.256 -6.174 -4.518 184 HG LEU 30 HG LEU 30 1.668 -8.383 -3.025 185 1HD1 LEU 30 1HD1 LEU 30 2.201 -9.278 -5.265 186 2HD1 LEU 30 2HD1 LEU 30 1.270 -7.974 -6.005 187 3HD1 LEU 30 3HD1 LEU 30 0.454 -9.194 -5.029 188 1HD2 LEU 30 1HD2 LEU 30 3.574 -7.421 -4.569 189 2HD2 LEU 30 2HD2 LEU 30 3.190 -6.625 -3.050 190 3HD2 LEU 30 3HD2 LEU 30 2.576 -5.970 -4.568 191 H THR 31 H THR 31 -1.864 -6.905 -1.759 192 HA THR 31 HA THR 31 -3.404 -4.562 -2.372 193 HB THR 31 HB THR 31 -5.019 -5.829 -0.622 194 HG1 THR 31 1HG THR 31 -3.377 -7.933 -1.502 195 1HG2 THR 31 1HG2 THR 31 -5.652 -5.720 -2.900 196 2HG2 THR 31 2HG2 THR 31 -5.558 -7.445 -2.548 197 3HG2 THR 31 3HG2 THR 31 -4.249 -6.653 -3.422 198 H LYS 32 H LYS 32 -1.721 -5.631 0.513 199 HA LYS 32 HA LYS 32 -2.979 -3.942 2.419 200 1HB LYS 32 2HB LYS 32 -1.408 -5.760 2.999 201 2HB LYS 32 1HB LYS 32 -0.082 -4.827 2.320 202 1HG LYS 32 2HG LYS 32 -1.794 -3.493 4.406 203 2HG LYS 32 1HG LYS 32 -0.687 -4.747 4.951 204 1HD LYS 32 2HD LYS 32 1.101 -3.404 3.539 205 2HD LYS 32 1HD LYS 32 -0.059 -2.084 3.679 206 1HE LYS 32 2HE LYS 32 1.356 -3.575 5.889 207 2HE LYS 32 1HE LYS 32 1.407 -1.847 5.533 208 1HZ LYS 32 1HZ LYS 32 -0.855 -1.620 6.175 209 2HZ LYS 32 2HZ LYS 32 -0.063 -2.467 7.416 210 3HZ LYS 32 3HZ LYS 32 -1.055 -3.299 6.316 211 H MET 33 H MET 33 -0.023 -3.379 0.482 212 HA MET 33 HA MET 33 0.404 -0.700 1.368 213 1HB MET 33 2HB MET 33 1.058 -1.831 -1.382 214 2HB MET 33 1HB MET 33 1.794 -0.413 -0.633 215 1HG MET 33 2HG MET 33 2.475 -2.010 1.281 216 2HG MET 33 1HG MET 33 2.086 -3.310 0.159 217 1HE MET 33 1HE MET 33 5.809 -3.560 0.000 218 2HE MET 33 2HE MET 33 4.484 -4.415 -0.784 219 3HE MET 33 3HE MET 33 4.337 -3.939 0.907 220 H ARG 34 H ARG 34 -1.700 -2.004 -1.169 221 HA ARG 34 HA ARG 34 -2.329 0.459 -2.447 222 1HB ARG 34 2HB ARG 34 -3.129 -1.422 -3.592 223 2HB ARG 34 1HB ARG 34 -3.770 -2.170 -2.138 224 1HG ARG 34 2HG ARG 34 -5.622 -0.587 -2.075 225 2HG ARG 34 1HG ARG 34 -4.925 0.332 -3.411 226 1HD ARG 34 2HD ARG 34 -5.135 -1.766 -4.817 227 2HD ARG 34 1HD ARG 34 -6.045 -2.477 -3.484 228 HE ARG 34 HE ARG 34 -7.144 0.095 -4.236 229 1HH1 ARG 34 1HH2 ARG 34 -6.855 -3.216 -5.100 230 2HH1 ARG 34 2HH2 ARG 34 -8.400 -3.301 -5.879 231 1HH2 ARG 34 1HH1 ARG 34 -9.150 0.059 -5.330 232 2HH2 ARG 34 2HH1 ARG 34 -9.694 -1.423 -6.041 233 H ALA 35 H ALA 35 -4.058 -1.162 0.246 234 HA ALA 35 HA ALA 35 -6.007 0.868 0.626 235 1HB ALA 35 1HB ALA 35 -4.846 -0.771 2.877 236 2HB ALA 35 2HB ALA 35 -5.889 -1.488 1.649 237 3HB ALA 35 3HB ALA 35 -6.502 -0.198 2.682 238 H ALA 36 H ALA 36 -2.707 0.634 1.778 239 HA ALA 36 HA ALA 36 -2.804 2.561 3.844 240 1HB ALA 36 1HB ALA 36 -0.355 2.830 3.354 241 2HB ALA 36 2HB ALA 36 -0.583 1.812 1.933 242 3HB ALA 36 3HB ALA 36 -0.861 1.151 3.546 243 H ALA 37 H ALA 37 -1.985 3.008 0.387 244 HA ALA 37 HA ALA 37 -1.608 5.830 0.547 245 1HB ALA 37 1HB ALA 37 -1.398 3.913 -1.454 246 2HB ALA 37 2HB ALA 37 -1.204 5.646 -1.706 247 3HB ALA 37 3HB ALA 37 -2.766 4.876 -2.011 248 H LEU 38 H LEU 38 -4.494 3.872 -0.214 249 HA LEU 38 HA LEU 38 -6.229 6.140 -0.599 250 1HB LEU 38 2HB LEU 38 -7.046 3.387 0.392 251 2HB LEU 38 1HB LEU 38 -8.064 4.568 -0.420 252 HG LEU 38 HG LEU 38 -5.664 3.175 -1.642 253 1HD1 LEU 38 1HD1 LEU 38 -7.513 2.194 -3.130 254 2HD1 LEU 38 2HD1 LEU 38 -8.656 2.779 -1.917 255 3HD1 LEU 38 3HD1 LEU 38 -7.437 1.585 -1.478 256 1HD2 LEU 38 1HD2 LEU 38 -7.553 5.324 -2.619 257 2HD2 LEU 38 2HD2 LEU 38 -6.769 4.236 -3.762 258 3HD2 LEU 38 3HD2 LEU 38 -5.791 5.270 -2.719 259 H ASP 39 H ASP 39 -5.476 4.107 2.227 260 HA ASP 39 HA ASP 39 -7.297 5.383 4.004 261 1HB ASP 39 2HB ASP 39 -5.867 3.258 4.411 262 2HB ASP 39 1HB ASP 39 -4.591 4.379 4.898 263 H ALA 40 H ALA 40 -3.985 6.246 3.051 264 HA ALA 40 HA ALA 40 -3.702 8.405 4.944 265 1HB ALA 40 1HB ALA 40 -1.898 9.144 3.166 266 2HB ALA 40 2HB ALA 40 -2.247 7.575 2.440 267 3HB ALA 40 3HB ALA 40 -1.641 7.664 4.092 268 H GLN 41 H GLN 41 -5.409 8.092 1.960 269 HA GLN 41 HA GLN 41 -5.315 10.851 1.170 270 1HB GLN 41 2HB GLN 41 -6.701 10.216 -0.591 271 2HB GLN 41 1HB GLN 41 -6.031 8.656 -0.160 272 1HG GLN 41 2HG GLN 41 -8.227 8.673 1.470 273 2HG GLN 41 1HG GLN 41 -8.826 9.668 0.147 274 1HE2 GLN 41 1HE2 GLN 41 -9.397 6.783 1.031 275 2HE2 GLN 41 2HE2 GLN 41 -9.250 5.894 -0.407 276 H LYS 42 H LYS 42 -8.178 11.092 0.858 277 HA LYS 42 HA LYS 42 -8.827 12.580 3.229 278 1HB LYS 42 2HB LYS 42 -10.947 11.625 1.313 279 2HB LYS 42 1HB LYS 42 -10.744 13.216 2.046 280 1HG LYS 42 2HG LYS 42 -8.576 13.356 0.605 281 2HG LYS 42 1HG LYS 42 -9.265 12.010 -0.297 282 1HD LYS 42 2HD LYS 42 -10.540 14.737 0.100 283 2HD LYS 42 1HD LYS 42 -9.849 14.110 -1.392 284 1HE LYS 42 2HE LYS 42 -12.108 13.666 -1.745 285 2HE LYS 42 1HE LYS 42 -11.599 12.149 -1.008 286 1HZ LYS 42 1HZ LYS 42 -13.308 14.238 0.043 287 2HZ LYS 42 2HZ LYS 42 -12.176 13.634 1.146 288 3HZ LYS 42 3HZ LYS 42 -13.279 12.581 0.401 289 H ALA 43 H ALA 43 -8.160 10.209 4.284 290 HA ALA 43 HA ALA 43 -10.758 9.157 5.295 291 1HB ALA 43 1HB ALA 43 -9.906 6.811 5.121 292 2HB ALA 43 2HB ALA 43 -8.522 7.414 4.208 293 3HB ALA 43 3HB ALA 43 -10.150 7.571 3.551 294 H THR 44 H THR 44 -7.209 8.948 5.620 295 HA THR 44 HA THR 44 -7.545 9.231 8.576 296 HB THR 44 HB THR 44 -5.422 7.523 7.257 297 HG1 THR 44 1HG THR 44 -7.103 6.285 6.892 298 1HG2 THR 44 1HG2 THR 44 -5.257 6.605 9.572 299 2HG2 THR 44 2HG2 THR 44 -6.464 7.776 10.095 300 3HG2 THR 44 3HG2 THR 44 -4.894 8.329 9.511 301 HA PRO 45 HA PRO 45 -5.195 12.588 6.011 302 1HB PRO 45 2HB PRO 45 -6.320 13.747 8.550 303 2HB PRO 45 1HB PRO 45 -6.093 14.520 6.973 304 1HG PRO 45 2HG PRO 45 -8.470 13.513 7.768 305 2HG PRO 45 1HG PRO 45 -7.963 13.562 6.070 306 1HD PRO 45 2HD PRO 45 -8.344 11.213 7.768 307 2HD PRO 45 1HD PRO 45 -8.007 11.282 6.023 308 HA PRO 46 HA PRO 46 -1.941 11.738 9.162 309 1HB PRO 46 2HB PRO 46 0.090 11.246 7.322 310 2HB PRO 46 1HB PRO 46 -0.960 10.007 8.020 311 1HG PRO 46 2HG PRO 46 -0.920 11.051 5.297 312 2HG PRO 46 1HG PRO 46 -1.750 9.622 5.937 313 1HD PRO 46 2HD PRO 46 -2.894 12.221 5.299 314 2HD PRO 46 1HD PRO 46 -3.734 10.760 5.847 315 H LYS 47 H LYS 47 -0.489 13.129 6.197 316 HA LYS 47 HA LYS 47 0.536 15.405 7.786 317 1HB LYS 47 2HB LYS 47 0.826 14.884 4.799 318 2HB LYS 47 1HB LYS 47 1.735 16.047 5.756 319 1HG LYS 47 2HG LYS 47 2.719 14.229 7.080 320 2HG LYS 47 1HG LYS 47 1.781 13.045 6.176 321 1HD LYS 47 2HD LYS 47 2.998 13.415 4.181 322 2HD LYS 47 1HD LYS 47 3.637 14.956 4.753 323 1HE LYS 47 2HE LYS 47 4.298 12.323 6.092 324 2HE LYS 47 1HE LYS 47 5.281 12.998 4.791 325 1HZ LYS 47 1HZ LYS 47 6.244 14.346 6.240 326 2HZ LYS 47 2HZ LYS 47 5.342 13.641 7.499 327 3HZ LYS 47 3HZ LYS 47 4.745 15.004 6.685 328 H LEU 48 H LEU 48 -2.243 14.617 6.091 329 HA LEU 48 HA LEU 48 -2.823 17.290 5.066 330 1HB LEU 48 2HB LEU 48 -3.934 14.620 4.796 331 2HB LEU 48 1HB LEU 48 -5.221 15.734 5.234 332 HG LEU 48 HG LEU 48 -3.285 16.344 2.990 333 1HD1 LEU 48 1HD1 LEU 48 -4.480 14.191 2.563 334 2HD1 LEU 48 2HD1 LEU 48 -4.950 15.462 1.439 335 3HD1 LEU 48 3HD1 LEU 48 -6.013 15.037 2.776 336 1HD2 LEU 48 1HD2 LEU 48 -6.037 17.362 3.805 337 2HD2 LEU 48 2HD2 LEU 48 -5.227 17.817 2.305 338 3HD2 LEU 48 3HD2 LEU 48 -4.526 18.264 3.856 339 H GLU 49 H GLU 49 -2.863 18.696 6.776 340 HA GLU 49 HA GLU 49 -5.133 18.418 8.659 341 1HB GLU 49 2HB GLU 49 -2.895 17.501 9.642 342 2HB GLU 49 1HB GLU 49 -2.416 19.198 9.728 343 1HG GLU 49 2HG GLU 49 -4.613 19.617 10.952 344 2HG GLU 49 1HG GLU 49 -4.772 17.867 11.078 345 H ASP 50 H ASP 50 -3.380 20.239 6.522 346 HA ASP 50 HA ASP 50 -4.885 22.624 6.980 347 1HB ASP 50 2HB ASP 50 -2.192 22.422 8.274 348 2HB ASP 50 1HB ASP 50 -2.561 23.948 7.470 349 H LYS 51 H LYS 51 -4.704 21.362 4.696 350 HA LYS 51 HA LYS 51 -2.990 23.088 3.002 351 1HB LYS 51 2HB LYS 51 -2.872 20.064 3.124 352 2HB LYS 51 1HB LYS 51 -2.299 20.971 1.724 353 1HG LYS 51 2HG LYS 51 -0.804 22.275 3.315 354 2HG LYS 51 1HG LYS 51 -1.265 21.128 4.574 355 1HD LYS 51 2HD LYS 51 -0.199 19.313 3.489 356 2HD LYS 51 1HD LYS 51 -0.145 20.153 1.941 357 1HE LYS 51 2HE LYS 51 2.099 20.137 2.967 358 2HE LYS 51 1HE LYS 51 1.474 21.784 2.893 359 1HZ LYS 51 1HZ LYS 51 2.365 20.474 5.126 360 2HZ LYS 51 2HZ LYS 51 0.675 20.470 5.278 361 3HZ LYS 51 3HZ LYS 51 1.507 21.938 5.083 362 H SER 52 H SER 52 -5.132 20.187 2.701 363 HA SER 52 HA SER 52 -6.920 19.889 1.188 364 1HB SER 52 2HB SER 52 -7.324 22.248 2.605 365 2HB SER 52 1HB SER 52 -7.503 22.783 0.942 366 HG SER 52 HG SER 52 -8.788 20.511 2.067 367 HA PRO 53 HA PRO 53 -5.634 20.814 -2.939 368 1HB PRO 53 2HB PRO 53 -8.006 22.464 -3.671 369 2HB PRO 53 1HB PRO 53 -7.466 20.910 -4.339 370 1HG PRO 53 2HG PRO 53 -9.616 21.062 -2.760 371 2HG PRO 53 1HG PRO 53 -8.503 19.684 -2.679 372 1HD PRO 53 2HD PRO 53 -8.706 22.038 -0.833 373 2HD PRO 53 1HD PRO 53 -8.472 20.316 -0.449 374 H ASP 54 H ASP 54 -4.657 22.644 -1.050 375 HA ASP 54 HA ASP 54 -4.731 25.308 -2.368 376 1HB ASP 54 2HB ASP 54 -5.139 25.109 0.087 377 2HB ASP 54 1HB ASP 54 -3.503 24.478 0.282 378 H SER 55 H SER 55 -2.986 22.564 -2.730 379 HA SER 55 HA SER 55 -0.796 23.943 -3.991 380 1HB SER 55 2HB SER 55 0.306 22.292 -1.765 381 2HB SER 55 1HB SER 55 0.890 23.813 -2.429 382 HG SER 55 HG SER 55 -1.389 23.478 -0.777 383 HA PRO 56 HA PRO 56 0.027 20.092 -6.076 384 1HB PRO 56 2HB PRO 56 2.315 19.242 -4.319 385 2HB PRO 56 1HB PRO 56 2.222 19.307 -6.093 386 1HG PRO 56 2HG PRO 56 3.546 21.163 -4.762 387 2HG PRO 56 1HG PRO 56 2.531 21.607 -6.148 388 1HD PRO 56 2HD PRO 56 1.980 21.949 -3.221 389 2HD PRO 56 1HD PRO 56 1.573 23.032 -4.574 390 H GLU 57 H GLU 57 -0.755 20.091 -2.814 391 HA GLU 57 HA GLU 57 -0.657 17.453 -1.920 392 1HB GLU 57 2HB GLU 57 -1.605 19.116 -0.448 393 2HB GLU 57 1HB GLU 57 -2.880 19.496 -1.605 394 1HG GLU 57 2HG GLU 57 -3.573 18.032 0.361 395 2HG GLU 57 1HG GLU 57 -3.966 17.389 -1.230 396 H MET 58 H MET 58 -3.306 18.877 -3.873 397 HA MET 58 HA MET 58 -4.726 16.432 -4.242 398 1HB MET 58 2HB MET 58 -5.746 18.585 -4.844 399 2HB MET 58 1HB MET 58 -4.547 18.823 -6.116 400 1HG MET 58 2HG MET 58 -5.384 16.878 -7.334 401 2HG MET 58 1HG MET 58 -6.482 16.482 -6.015 402 1HE MET 58 1HE MET 58 -9.388 18.766 -6.252 403 2HE MET 58 2HE MET 58 -8.121 18.571 -5.043 404 3HE MET 58 3HE MET 58 -8.771 17.154 -5.861 405 H LYS 59 H LYS 59 -2.153 17.936 -6.224 406 HA LYS 59 HA LYS 59 -2.119 15.857 -8.212 407 1HB LYS 59 2HB LYS 59 0.151 17.714 -7.440 408 2HB LYS 59 1HB LYS 59 -0.050 16.874 -8.976 409 1HG LYS 59 2HG LYS 59 -2.217 18.741 -8.005 410 2HG LYS 59 1HG LYS 59 -0.775 19.406 -8.758 411 1HD LYS 59 2HD LYS 59 -2.172 17.146 -10.161 412 2HD LYS 59 1HD LYS 59 -2.916 18.736 -10.204 413 1HE LYS 59 2HE LYS 59 -0.736 19.673 -11.049 414 2HE LYS 59 1HE LYS 59 -0.123 18.022 -11.142 415 1HZ LYS 59 1HZ LYS 59 -1.231 17.675 -13.016 416 2HZ LYS 59 2HZ LYS 59 -1.565 19.342 -13.064 417 3HZ LYS 59 3HZ LYS 59 -2.678 18.267 -12.367 418 H ASP 60 H ASP 60 0.132 16.531 -5.497 419 HA ASP 60 HA ASP 60 1.681 14.161 -5.787 420 1HB ASP 60 2HB ASP 60 2.221 16.047 -4.144 421 2HB ASP 60 1HB ASP 60 0.951 15.384 -3.108 422 H PHE 61 H PHE 61 -1.509 14.714 -4.421 423 HA PHE 61 HA PHE 61 -1.722 12.141 -3.139 424 1HB PHE 61 2HB PHE 61 -3.298 13.686 -2.333 425 2HB PHE 61 1HB PHE 61 -3.668 14.307 -3.938 426 HD1 PHE 61 1HD PHE 61 -6.029 14.057 -3.917 427 HD2 PHE 61 2HD PHE 61 -3.516 10.705 -2.978 428 HE1 PHE 61 1HE PHE 61 -7.979 12.560 -4.084 429 HE2 PHE 61 2HE PHE 61 -5.474 9.184 -3.148 430 HZ PHE 61 HZ PHE 61 -7.713 10.120 -3.703 431 H ARG 62 H ARG 62 -2.964 13.493 -6.196 432 HA ARG 62 HA ARG 62 -3.895 11.018 -7.212 433 1HB ARG 62 2HB ARG 62 -2.970 13.506 -8.654 434 2HB ARG 62 1HB ARG 62 -3.725 12.132 -9.459 435 1HG ARG 62 2HG ARG 62 -5.486 12.702 -7.329 436 2HG ARG 62 1HG ARG 62 -4.985 14.290 -7.884 437 1HD ARG 62 2HD ARG 62 -5.518 13.362 -10.267 438 2HD ARG 62 1HD ARG 62 -6.428 12.128 -9.400 439 HE ARG 62 HE ARG 62 -7.107 14.817 -8.525 440 1HH1 ARG 62 1HH2 ARG 62 -7.611 12.333 -10.892 441 2HH1 ARG 62 2HH2 ARG 62 -9.193 12.891 -11.325 442 1HH2 ARG 62 1HH1 ARG 62 -9.187 15.526 -9.079 443 2HH2 ARG 62 2HH1 ARG 62 -10.082 14.676 -10.297 444 H HIS 63 H HIS 63 -0.876 12.780 -8.078 445 HA HIS 63 HA HIS 63 0.206 10.575 -9.529 446 1HB HIS 63 2HB HIS 63 0.941 13.011 -9.598 447 2HB HIS 63 1HB HIS 63 1.811 12.698 -8.098 448 HD1 HIS 63 1HD HIS 63 4.106 13.061 -9.244 449 HD2 HIS 63 2HD HIS 63 1.900 9.949 -10.930 450 HE1 HIS 63 1HE HIS 63 5.699 11.778 -10.737 451 H GLY 64 H GLY 64 0.134 11.275 -6.095 452 1HA GLY 64 2HA GLY 64 2.305 9.478 -5.383 453 2HA GLY 64 1HA GLY 64 1.121 10.145 -4.259 454 H PHE 65 H PHE 65 -1.252 9.104 -4.998 455 HA PHE 65 HA PHE 65 -1.054 6.329 -4.281 456 1HB PHE 65 2HB PHE 65 -3.329 6.430 -3.963 457 2HB PHE 65 1HB PHE 65 -3.008 8.157 -3.993 458 HD1 PHE 65 1HD PHE 65 -4.275 9.507 -5.435 459 HD2 PHE 65 2HD PHE 65 -3.890 5.337 -6.322 460 HE1 PHE 65 1HE PHE 65 -5.919 9.745 -7.258 461 HE2 PHE 65 2HE PHE 65 -5.541 5.576 -8.173 462 HZ PHE 65 HZ PHE 65 -6.555 7.789 -8.628 463 H ASP 66 H ASP 66 -1.342 8.031 -7.312 464 HA ASP 66 HA ASP 66 -2.127 5.856 -8.958 465 1HB ASP 66 2HB ASP 66 -2.138 8.200 -9.747 466 2HB ASP 66 1HB ASP 66 -0.372 8.203 -9.730 467 H ILE 67 H ILE 67 1.062 7.048 -8.006 468 HA ILE 67 HA ILE 67 2.559 5.196 -9.564 469 HB ILE 67 HB ILE 67 3.156 6.674 -6.992 470 1HG1 ILE 67 2HG1 ILE 67 4.308 7.029 -9.763 471 2HG1 ILE 67 1HG1 ILE 67 2.803 7.821 -9.274 472 1HG2 ILE 67 1HG2 ILE 67 4.828 4.719 -8.565 473 2HG2 ILE 67 2HG2 ILE 67 4.671 4.896 -6.822 474 3HG2 ILE 67 3HG2 ILE 67 5.602 6.068 -7.732 475 1HD1 ILE 67 1HD1 ILE 67 4.767 9.307 -8.935 476 2HD1 ILE 67 2HD1 ILE 67 5.488 8.105 -7.863 477 3HD1 ILE 67 3HD1 ILE 67 3.991 8.918 -7.399 478 H LEU 68 H LEU 68 1.524 5.022 -6.157 479 HA LEU 68 HA LEU 68 2.517 2.426 -5.579 480 1HB LEU 68 2HB LEU 68 0.266 4.113 -4.474 481 2HB LEU 68 1HB LEU 68 0.594 2.500 -3.821 482 HG LEU 68 HG LEU 68 2.825 4.511 -4.115 483 1HD1 LEU 68 1HD1 LEU 68 1.095 5.686 -2.876 484 2HD1 LEU 68 2HD1 LEU 68 2.380 5.208 -1.764 485 3HD1 LEU 68 3HD1 LEU 68 0.871 4.302 -1.808 486 1HD2 LEU 68 1HD2 LEU 68 2.645 2.611 -1.812 487 2HD2 LEU 68 2HD2 LEU 68 4.033 3.054 -2.804 488 3HD2 LEU 68 3HD2 LEU 68 2.875 1.866 -3.394 489 H VAL 69 H VAL 69 -0.869 3.301 -6.401 490 HA VAL 69 HA VAL 69 -1.768 0.600 -6.602 491 HB VAL 69 HB VAL 69 -3.674 1.482 -7.881 492 1HG1 VAL 69 1HG1 VAL 69 -4.490 3.122 -6.271 493 2HG1 VAL 69 2HG1 VAL 69 -2.850 3.366 -5.674 494 3HG1 VAL 69 3HG1 VAL 69 -3.646 1.812 -5.442 495 1HG2 VAL 69 1HG2 VAL 69 -2.940 3.014 -9.436 496 2HG2 VAL 69 2HG2 VAL 69 -1.813 3.753 -8.316 497 3HG2 VAL 69 3HG2 VAL 69 -3.530 4.117 -8.197 498 H GLY 70 H GLY 70 -0.175 2.713 -8.932 499 1HA GLY 70 2HA GLY 70 -0.612 1.122 -11.261 500 2HA GLY 70 1HA GLY 70 0.695 2.285 -11.064 501 H GLN 71 H GLN 71 2.058 1.019 -8.853 502 HA GLN 71 HA GLN 71 3.328 -1.193 -10.337 503 1HB GLN 71 2HB GLN 71 5.016 -1.071 -8.511 504 2HB GLN 71 1HB GLN 71 4.781 0.486 -9.299 505 1HG GLN 71 2HG GLN 71 3.015 0.895 -7.417 506 2HG GLN 71 1HG GLN 71 3.823 -0.421 -6.594 507 1HE2 GLN 71 1HE2 GLN 71 3.765 2.869 -6.736 508 2HE2 GLN 71 2HE2 GLN 71 5.371 3.199 -6.288 509 H ILE 72 H ILE 72 1.340 -0.698 -7.472 510 HA ILE 72 HA ILE 72 1.816 -3.240 -6.270 511 HB ILE 72 HB ILE 72 -0.579 -1.384 -6.255 512 1HG1 ILE 72 2HG1 ILE 72 1.314 -2.108 -4.002 513 2HG1 ILE 72 1HG1 ILE 72 1.647 -0.778 -5.111 514 1HG2 ILE 72 1HG2 ILE 72 -0.152 -3.981 -4.787 515 2HG2 ILE 72 2HG2 ILE 72 -1.490 -3.567 -5.852 516 3HG2 ILE 72 3HG2 ILE 72 -1.332 -2.780 -4.286 517 1HD1 ILE 72 1HD1 ILE 72 -0.574 0.207 -4.507 518 2HD1 ILE 72 2HD1 ILE 72 0.520 0.084 -3.126 519 3HD1 ILE 72 3HD1 ILE 72 -0.783 -1.085 -3.329 520 H ASP 73 H ASP 73 -0.504 -2.154 -8.749 521 HA ASP 73 HA ASP 73 -1.748 -4.729 -9.086 522 1HB ASP 73 2HB ASP 73 -2.737 -2.604 -9.990 523 2HB ASP 73 1HB ASP 73 -1.449 -2.560 -11.198 524 H ASP 74 H ASP 74 1.005 -3.126 -10.711 525 HA ASP 74 HA ASP 74 1.484 -5.246 -12.572 526 1HB ASP 74 2HB ASP 74 3.677 -3.527 -11.435 527 2HB ASP 74 1HB ASP 74 3.524 -4.193 -13.057 528 H ALA 75 H ALA 75 2.198 -4.903 -9.197 529 HA ALA 75 HA ALA 75 4.272 -6.934 -9.187 530 1HB ALA 75 1HB ALA 75 4.280 -5.196 -7.472 531 2HB ALA 75 2HB ALA 75 4.106 -6.779 -6.726 532 3HB ALA 75 3HB ALA 75 2.697 -5.728 -6.894 533 H LEU 76 H LEU 76 0.785 -6.897 -8.743 534 HA LEU 76 HA LEU 76 0.564 -9.533 -7.578 535 1HB LEU 76 2HB LEU 76 -1.160 -7.661 -7.561 536 2HB LEU 76 1HB LEU 76 -1.489 -8.040 -9.248 537 HG LEU 76 HG LEU 76 -1.598 -10.295 -7.252 538 1HD1 LEU 76 1HD1 LEU 76 -2.859 -8.576 -6.117 539 2HD1 LEU 76 2HD1 LEU 76 -4.000 -9.719 -6.828 540 3HD1 LEU 76 3HD1 LEU 76 -3.714 -8.157 -7.602 541 1HD2 LEU 76 1HD2 LEU 76 -1.975 -10.808 -9.627 542 2HD2 LEU 76 2HD2 LEU 76 -3.213 -9.559 -9.721 543 3HD2 LEU 76 3HD2 LEU 76 -3.478 -10.998 -8.739 544 H LYS 77 H LYS 77 -0.089 -8.313 -10.899 545 HA LYS 77 HA LYS 77 -0.546 -10.845 -12.061 546 1HB LYS 77 2HB LYS 77 0.309 -9.775 -14.212 547 2HB LYS 77 1HB LYS 77 -1.030 -8.956 -13.424 548 1HG LYS 77 2HG LYS 77 0.196 -7.076 -13.013 549 2HG LYS 77 1HG LYS 77 1.576 -7.994 -12.429 550 1HD LYS 77 2HD LYS 77 0.910 -7.364 -15.312 551 2HD LYS 77 1HD LYS 77 2.247 -6.717 -14.370 552 1HE LYS 77 2HE LYS 77 3.445 -8.410 -15.343 553 2HE LYS 77 1HE LYS 77 2.675 -9.431 -14.123 554 1HZ LYS 77 1HZ LYS 77 1.963 -10.539 -15.933 555 2HZ LYS 77 2HZ LYS 77 2.123 -9.199 -16.968 556 3HZ LYS 77 3HZ LYS 77 0.761 -9.345 -15.960 557 H LEU 78 H LEU 78 2.454 -9.158 -11.278 558 HA LEU 78 HA LEU 78 4.236 -11.004 -12.557 559 1HB LEU 78 2HB LEU 78 4.703 -8.656 -11.355 560 2HB LEU 78 1HB LEU 78 5.013 -9.687 -9.963 561 HG LEU 78 HG LEU 78 7.127 -9.327 -11.081 562 1HD1 LEU 78 1HD1 LEU 78 6.310 -12.066 -12.038 563 2HD1 LEU 78 2HD1 LEU 78 6.425 -11.706 -10.314 564 3HD1 LEU 78 3HD1 LEU 78 7.847 -11.554 -11.335 565 1HD2 LEU 78 1HD2 LEU 78 7.496 -9.402 -13.369 566 2HD2 LEU 78 2HD2 LEU 78 5.805 -8.911 -13.383 567 3HD2 LEU 78 3HD2 LEU 78 6.237 -10.596 -13.657 568 H ALA 79 H ALA 79 3.006 -10.814 -9.195 569 HA ALA 79 HA ALA 79 4.165 -13.268 -8.329 570 1HB ALA 79 1HB ALA 79 3.218 -11.897 -6.623 571 2HB ALA 79 2HB ALA 79 2.152 -13.300 -6.719 572 3HB ALA 79 3HB ALA 79 1.678 -11.779 -7.473 573 H ASN 80 H ASN 80 1.062 -12.524 -9.845 574 HA ASN 80 HA ASN 80 0.000 -15.166 -9.921 575 1HB ASN 80 2HB ASN 80 -1.071 -12.851 -10.476 576 2HB ASN 80 1HB ASN 80 -0.433 -13.124 -12.097 577 1HD2 ASN 80 1HD2 ASN 80 -3.271 -13.055 -11.306 578 2HD2 ASN 80 2HD2 ASN 80 -3.910 -14.573 -11.725 579 H GLU 81 H GLU 81 1.298 -13.385 -12.720 580 HA GLU 81 HA GLU 81 1.961 -15.765 -14.239 581 1HB GLU 81 2HB GLU 81 1.371 -13.356 -15.047 582 2HB GLU 81 1HB GLU 81 3.068 -12.992 -14.736 583 1HG GLU 81 2HG GLU 81 3.109 -13.619 -16.991 584 2HG GLU 81 1HG GLU 81 3.515 -15.138 -16.196 585 H GLY 82 H GLY 82 3.416 -14.864 -11.484 586 1HA GLY 82 2HA GLY 82 6.108 -15.762 -12.422 587 2HA GLY 82 1HA GLY 82 5.991 -14.293 -11.483 588 H LYS 83 H LYS 83 7.537 -16.378 -10.596 589 HA LYS 83 HA LYS 83 6.085 -17.973 -8.607 590 1HB LYS 83 2HB LYS 83 8.359 -18.504 -9.840 591 2HB LYS 83 1HB LYS 83 9.072 -17.502 -8.583 592 1HG LYS 83 2HG LYS 83 8.199 -18.966 -6.849 593 2HG LYS 83 1HG LYS 83 7.302 -19.904 -8.036 594 1HD LYS 83 2HD LYS 83 9.464 -20.538 -9.108 595 2HD LYS 83 1HD LYS 83 10.315 -19.650 -7.842 596 1HE LYS 83 2HE LYS 83 9.634 -21.148 -6.154 597 2HE LYS 83 1HE LYS 83 8.342 -21.823 -7.147 598 1HZ LYS 83 1HZ LYS 83 9.755 -23.157 -8.240 599 2HZ LYS 83 2HZ LYS 83 10.703 -22.966 -6.838 600 3HZ LYS 83 3HZ LYS 83 11.023 -22.031 -8.220 601 H VAL 84 H VAL 84 7.379 -17.622 -6.182 602 HA VAL 84 HA VAL 84 6.562 -14.910 -5.449 603 HB VAL 84 HB VAL 84 7.529 -17.314 -3.900 604 1HG1 VAL 84 1HG1 VAL 84 7.529 -14.436 -3.028 605 2HG1 VAL 84 2HG1 VAL 84 8.635 -15.734 -2.590 606 3HG1 VAL 84 3HG1 VAL 84 7.032 -15.665 -1.857 607 1HG2 VAL 84 1HG2 VAL 84 5.071 -15.575 -3.588 608 2HG2 VAL 84 2HG2 VAL 84 5.375 -17.152 -2.861 609 3HG2 VAL 84 3HG2 VAL 84 5.131 -17.020 -4.599 610 H LYS 85 H LYS 85 9.601 -16.664 -5.892 611 HA LYS 85 HA LYS 85 11.305 -14.666 -4.718 612 1HB LYS 85 2HB LYS 85 11.650 -16.998 -6.548 613 2HB LYS 85 1HB LYS 85 12.901 -15.764 -6.677 614 1HG LYS 85 2HG LYS 85 12.120 -16.649 -3.915 615 2HG LYS 85 1HG LYS 85 13.054 -17.776 -4.894 616 1HD LYS 85 2HD LYS 85 14.854 -16.244 -5.148 617 2HD LYS 85 1HD LYS 85 13.894 -14.893 -4.534 618 1HE LYS 85 2HE LYS 85 14.713 -17.336 -2.939 619 2HE LYS 85 1HE LYS 85 15.446 -15.737 -2.805 620 1HZ LYS 85 1HZ LYS 85 12.645 -15.517 -2.590 621 2HZ LYS 85 2HZ LYS 85 13.832 -15.117 -1.444 622 3HZ LYS 85 3HZ LYS 85 13.191 -16.690 -1.493 623 H GLU 86 H GLU 86 10.258 -15.202 -8.080 624 HA GLU 86 HA GLU 86 11.589 -12.892 -9.136 625 1HB GLU 86 2HB GLU 86 9.019 -14.029 -10.254 626 2HB GLU 86 1HB GLU 86 10.331 -13.244 -11.126 627 1HG GLU 86 2HG GLU 86 10.581 -15.907 -9.680 628 2HG GLU 86 1HG GLU 86 10.343 -15.731 -11.415 629 H ALA 87 H ALA 87 8.389 -13.363 -7.668 630 HA ALA 87 HA ALA 87 7.334 -10.777 -8.345 631 1HB ALA 87 1HB ALA 87 6.205 -12.933 -7.319 632 2HB ALA 87 2HB ALA 87 5.545 -11.341 -6.961 633 3HB ALA 87 3HB ALA 87 6.574 -12.157 -5.785 634 H GLN 88 H GLN 88 8.588 -11.891 -5.164 635 HA GLN 88 HA GLN 88 8.585 -9.325 -3.985 636 1HB GLN 88 2HB GLN 88 9.914 -10.237 -2.229 637 2HB GLN 88 1HB GLN 88 8.884 -11.545 -2.799 638 1HG GLN 88 2HG GLN 88 10.949 -12.601 -2.721 639 2HG GLN 88 1HG GLN 88 10.904 -12.089 -4.389 640 1HE2 GLN 88 1HE2 GLN 88 11.360 -9.291 -2.464 641 2HE2 GLN 88 2HE2 GLN 88 13.048 -9.214 -2.568 642 H ALA 89 H ALA 89 10.892 -10.804 -6.174 643 HA ALA 89 HA ALA 89 13.137 -9.085 -5.739 644 1HB ALA 89 1HB ALA 89 12.992 -11.169 -7.248 645 2HB ALA 89 2HB ALA 89 13.905 -9.806 -7.890 646 3HB ALA 89 3HB ALA 89 12.263 -10.109 -8.456 647 H ALA 90 H ALA 90 10.252 -8.744 -7.789 648 HA ALA 90 HA ALA 90 10.906 -6.255 -9.003 649 1HB ALA 90 1HB ALA 90 8.143 -7.229 -8.240 650 2HB ALA 90 2HB ALA 90 9.029 -7.812 -9.645 651 3HB ALA 90 3HB ALA 90 8.560 -6.116 -9.545 652 H ALA 91 H ALA 91 9.583 -7.010 -5.804 653 HA ALA 91 HA ALA 91 8.648 -4.345 -5.260 654 1HB ALA 91 1HB ALA 91 8.300 -5.093 -3.058 655 2HB ALA 91 2HB ALA 91 9.685 -6.182 -3.104 656 3HB ALA 91 3HB ALA 91 8.213 -6.593 -3.981 657 H GLU 92 H GLU 92 11.713 -6.010 -4.616 658 HA GLU 92 HA GLU 92 13.004 -3.932 -3.199 659 1HB GLU 92 2HB GLU 92 14.307 -5.943 -5.041 660 2HB GLU 92 1HB GLU 92 15.047 -5.129 -3.658 661 1HG GLU 92 2HG GLU 92 13.140 -6.165 -2.260 662 2HG GLU 92 1HG GLU 92 12.855 -7.207 -3.655 663 H GLN 93 H GLN 93 13.207 -4.634 -6.744 664 HA GLN 93 HA GLN 93 14.901 -2.359 -7.207 665 1HB GLN 93 2HB GLN 93 14.380 -2.631 -9.581 666 2HB GLN 93 1HB GLN 93 14.597 -4.223 -8.855 667 1HG GLN 93 2HG GLN 93 12.071 -4.261 -8.517 668 2HG GLN 93 1HG GLN 93 11.999 -2.863 -9.588 669 1HE2 GLN 93 1HE2 GLN 93 13.338 -6.210 -9.481 670 2HE2 GLN 93 2HE2 GLN 93 13.156 -6.508 -11.141 671 H LEU 94 H LEU 94 11.383 -2.774 -7.125 672 HA LEU 94 HA LEU 94 10.832 -0.006 -7.880 673 1HB LEU 94 2HB LEU 94 9.097 -2.049 -6.466 674 2HB LEU 94 1HB LEU 94 8.539 -0.463 -7.001 675 HG LEU 94 HG LEU 94 9.754 -2.495 -8.885 676 1HD1 LEU 94 1HD1 LEU 94 6.928 -2.186 -7.888 677 2HD1 LEU 94 2HD1 LEU 94 7.862 -3.656 -8.158 678 3HD1 LEU 94 3HD1 LEU 94 7.223 -2.761 -9.530 679 1HD2 LEU 94 1HD2 LEU 94 8.241 0.106 -9.210 680 2HD2 LEU 94 2HD2 LEU 94 8.265 -1.090 -10.501 681 3HD2 LEU 94 3HD2 LEU 94 9.774 -0.380 -9.939 682 H LYS 95 H LYS 95 11.958 -1.535 -5.039 683 HA LYS 95 HA LYS 95 10.645 0.157 -3.107 684 1HB LYS 95 2HB LYS 95 11.820 -2.002 -2.550 685 2HB LYS 95 1HB LYS 95 13.354 -1.205 -2.870 686 1HG LYS 95 2HG LYS 95 11.825 0.470 -1.070 687 2HG LYS 95 1HG LYS 95 11.819 -1.165 -0.429 688 1HD LYS 95 2HD LYS 95 14.293 -1.233 -0.568 689 2HD LYS 95 1HD LYS 95 14.296 0.397 -1.234 690 1HE LYS 95 2HE LYS 95 13.675 1.382 0.790 691 2HE LYS 95 1HE LYS 95 12.918 -0.089 1.396 692 1HZ LYS 95 1HZ LYS 95 14.796 -0.440 2.505 693 2HZ LYS 95 2HZ LYS 95 15.614 0.801 1.683 694 3HZ LYS 95 3HZ LYS 95 15.554 -0.762 1.020 695 H THR 96 H THR 96 13.868 0.255 -4.616 696 HA THR 96 HA THR 96 14.434 2.906 -3.542 697 HB THR 96 HB THR 96 16.246 1.321 -3.899 698 HG1 THR 96 1HG THR 96 16.305 3.750 -4.567 699 1HG2 THR 96 1HG2 THR 96 15.450 1.451 -6.822 700 2HG2 THR 96 2HG2 THR 96 15.266 0.059 -5.758 701 3HG2 THR 96 3HG2 THR 96 16.880 0.626 -6.193 702 H THR 97 H THR 97 12.965 1.659 -6.473 703 HA THR 97 HA THR 97 13.213 4.294 -7.817 704 HB THR 97 HB THR 97 12.387 1.528 -8.703 705 HG1 THR 97 1HG THR 97 14.597 2.144 -8.712 706 1HG2 THR 97 1HG2 THR 97 10.766 2.922 -9.776 707 2HG2 THR 97 2HG2 THR 97 12.010 2.591 -10.971 708 3HG2 THR 97 3HG2 THR 97 11.975 4.149 -10.150 709 H GLY 98 H GLY 98 10.857 2.210 -6.227 710 1HA GLY 98 2HA GLY 98 8.566 3.712 -7.217 711 2HA GLY 98 1HA GLY 98 8.530 2.516 -5.923 712 H ARG 99 H ARG 99 10.938 4.959 -5.647 713 HA ARG 99 HA ARG 99 11.201 6.692 -4.086 714 1HB ARG 99 2HB ARG 99 8.205 7.051 -4.296 715 2HB ARG 99 1HB ARG 99 9.427 8.278 -3.985 716 1HG ARG 99 2HG ARG 99 9.136 6.738 -6.590 717 2HG ARG 99 1HG ARG 99 8.592 8.388 -6.319 718 1HD ARG 99 2HD ARG 99 11.444 7.367 -6.258 719 2HD ARG 99 1HD ARG 99 10.742 8.534 -7.378 720 HE ARG 99 HE ARG 99 10.380 9.714 -4.898 721 1HH1 ARG 99 1HH2 ARG 99 12.988 8.357 -6.689 722 2HH1 ARG 99 2HH2 ARG 99 14.184 9.407 -6.001 723 1HH2 ARG 99 1HH1 ARG 99 11.957 11.121 -4.014 724 2HH2 ARG 99 2HH1 ARG 99 13.605 10.956 -4.517 725 H ALA 100 H ALA 100 10.717 7.281 -1.833 726 HA ALA 100 HA ALA 100 9.932 4.923 -0.256 727 1HB ALA 100 1HB ALA 100 10.667 6.242 1.677 728 2HB ALA 100 2HB ALA 100 10.834 7.670 0.657 729 3HB ALA 100 3HB ALA 100 11.902 6.285 0.417 730 H GLY 101 H GLY 101 8.558 7.893 -1.349 731 1HA GLY 101 2HA GLY 101 5.981 7.214 -0.199 732 2HA GLY 101 1HA GLY 101 6.710 8.633 0.563 733 H ASN 102 H ASN 102 6.979 10.564 -0.737 734 HA ASN 102 HA ASN 102 5.195 10.667 -3.089 735 1HB ASN 102 2HB ASN 102 6.588 12.801 -1.461 736 2HB ASN 102 1HB ASN 102 5.658 13.137 -2.920 737 1HD2 ASN 102 1HD2 ASN 102 4.944 14.064 -0.240 738 2HD2 ASN 102 2HD2 ASN 102 3.441 13.369 0.135 739 H GLN 103 H GLN 103 6.436 12.770 -4.449 740 HA GLN 103 HA GLN 103 9.137 11.804 -5.178 741 1HB GLN 103 2HB GLN 103 7.223 10.736 -6.557 742 2HB GLN 103 1HB GLN 103 7.057 12.331 -7.297 743 1HG GLN 103 2HG GLN 103 9.584 12.249 -7.693 744 2HG GLN 103 1HG GLN 103 9.481 10.517 -7.343 745 1HE2 GLN 103 1HE2 GLN 103 8.042 13.052 -9.413 746 2HE2 GLN 103 2HE2 GLN 103 7.716 12.033 -10.737 747 H LYS 104 H LYS 104 6.600 14.118 -6.027 748 HA LYS 104 HA LYS 104 8.526 16.135 -6.893 749 1HB LYS 104 2HB LYS 104 6.456 16.239 -8.060 750 2HB LYS 104 1HB LYS 104 5.518 16.013 -6.591 751 1HG LYS 104 2HG LYS 104 5.830 18.244 -5.884 752 2HG LYS 104 1HG LYS 104 7.229 18.480 -6.941 753 1HD LYS 104 2HD LYS 104 5.766 18.365 -8.917 754 2HD LYS 104 1HD LYS 104 4.371 18.079 -7.872 755 1HE LYS 104 2HE LYS 104 4.346 20.419 -8.374 756 2HE LYS 104 1HE LYS 104 4.930 20.275 -6.718 757 1HZ LYS 104 1HZ LYS 104 6.249 21.350 -8.980 758 2HZ LYS 104 2HZ LYS 104 7.159 20.067 -8.332 759 3HZ LYS 104 3HZ LYS 104 6.724 21.384 -7.354 760 H GLY 105 H GLY 105 5.846 16.490 -4.596 761 1HA GLY 105 2HA GLY 105 7.516 18.309 -2.999 762 2HA GLY 105 1HA GLY 105 5.800 17.963 -2.746 763 H GLY 106 H GLY 106 8.628 15.798 -2.935 764 1HA GLY 106 2HA GLY 106 7.785 14.517 -0.384 765 2HA GLY 106 1HA GLY 106 8.908 13.825 -1.564 Start of MODEL 4 1 1H ALA 1 1HT ALA 1 -0.376 -16.932 27.090 2 2H ALA 1 2HT ALA 1 -0.166 -17.707 28.587 3 3H ALA 1 3HT ALA 1 -0.161 -18.613 27.149 4 HA ALA 1 HA ALA 1 1.794 -16.710 26.792 5 1HB ALA 1 1HB ALA 1 3.213 -16.955 28.751 6 2HB ALA 1 2HB ALA 1 2.055 -18.054 29.501 7 3HB ALA 1 3HB ALA 1 1.640 -16.353 29.274 8 H ASP 2 H ASP 2 2.192 -18.143 25.073 9 HA ASP 2 HA ASP 2 3.937 -20.373 25.643 10 1HB ASP 2 2HB ASP 2 1.575 -21.284 26.119 11 2HB ASP 2 1HB ASP 2 1.300 -21.148 24.382 12 H LEU 3 H LEU 3 3.555 -17.908 23.953 13 HA LEU 3 HA LEU 3 3.610 -19.007 21.205 14 1HB LEU 3 2HB LEU 3 4.048 -16.121 21.981 15 2HB LEU 3 1HB LEU 3 3.422 -16.767 20.464 16 HG LEU 3 HG LEU 3 2.040 -16.805 23.162 17 1HD1 LEU 3 1HD1 LEU 3 0.313 -15.509 21.820 18 2HD1 LEU 3 2HD1 LEU 3 1.521 -15.381 20.542 19 3HD1 LEU 3 3HD1 LEU 3 1.826 -14.655 22.120 20 1HD2 LEU 3 1HD2 LEU 3 1.428 -18.862 22.159 21 2HD2 LEU 3 2HD2 LEU 3 1.404 -18.168 20.538 22 3HD2 LEU 3 3HD2 LEU 3 0.130 -17.767 21.689 23 H GLU 4 H GLU 4 5.738 -16.918 23.209 24 HA GLU 4 HA GLU 4 8.065 -16.627 23.119 25 1HB GLU 4 2HB GLU 4 8.098 -19.497 22.159 26 2HB GLU 4 1HB GLU 4 9.347 -18.652 23.073 27 1HG GLU 4 2HG GLU 4 7.819 -18.452 24.994 28 2HG GLU 4 1HG GLU 4 6.559 -19.287 24.083 29 H ASP 5 H ASP 5 10.039 -16.982 21.583 30 HA ASP 5 HA ASP 5 10.920 -16.208 19.539 31 1HB ASP 5 2HB ASP 5 10.518 -17.806 17.726 32 2HB ASP 5 1HB ASP 5 10.734 -18.655 19.257 33 H ASN 6 H ASN 6 8.569 -14.689 20.313 34 HA ASN 6 HA ASN 6 7.044 -14.326 17.801 35 1HB ASN 6 2HB ASN 6 6.836 -13.211 20.597 36 2HB ASN 6 1HB ASN 6 5.970 -12.446 19.265 37 1HD2 ASN 6 1HD2 ASN 6 3.921 -13.156 20.327 38 2HD2 ASN 6 2HD2 ASN 6 3.403 -14.764 20.163 39 H ASP 7 H ASP 7 7.450 -12.672 16.371 40 HA ASP 7 HA ASP 7 9.781 -10.923 16.940 41 1HB ASP 7 2HB ASP 7 9.639 -12.207 14.783 42 2HB ASP 7 1HB ASP 7 8.218 -11.250 14.361 43 H GLU 8 H GLU 8 7.728 -10.170 18.506 44 HA GLU 8 HA GLU 8 6.336 -8.381 19.063 45 1HB GLU 8 2HB GLU 8 7.853 -7.029 16.821 46 2HB GLU 8 1HB GLU 8 6.942 -6.226 18.096 47 1HG GLU 8 2HG GLU 8 8.442 -7.062 19.792 48 2HG GLU 8 1HG GLU 8 9.267 -8.092 18.624 49 H THR 9 H THR 9 6.018 -10.021 16.213 50 HA THR 9 HA THR 9 3.801 -8.340 15.179 51 HB THR 9 HB THR 9 5.487 -10.585 14.092 52 HG1 THR 9 1HG THR 9 6.092 -8.466 13.677 53 1HG2 THR 9 1HG2 THR 9 3.925 -10.547 12.072 54 2HG2 THR 9 2HG2 THR 9 2.738 -9.791 13.131 55 3HG2 THR 9 3HG2 THR 9 3.344 -11.409 13.495 56 H GLY 10 H GLY 10 4.242 -10.528 17.479 57 1HA GLY 10 2HA GLY 10 2.743 -11.892 18.692 58 2HA GLY 10 1HA GLY 10 1.452 -11.268 17.663 59 H ASN 11 H ASN 11 2.963 -12.093 15.236 60 HA ASN 11 HA ASN 11 2.874 -13.821 13.713 61 1HB ASN 11 2HB ASN 11 4.160 -15.742 14.286 62 2HB ASN 11 1HB ASN 11 4.861 -14.383 15.159 63 1HD2 ASN 11 1HD2 ASN 11 2.901 -17.323 15.547 64 2HD2 ASN 11 2HD2 ASN 11 3.072 -17.417 17.233 65 H ASP 12 H ASP 12 1.810 -15.557 16.688 66 HA ASP 12 HA ASP 12 -0.443 -16.665 15.087 67 1HB ASP 12 2HB ASP 12 1.091 -18.200 16.364 68 2HB ASP 12 1HB ASP 12 0.501 -17.462 17.853 69 H ASN 13 H ASN 13 0.226 -14.237 17.374 70 HA ASN 13 HA ASN 13 -2.456 -14.315 18.612 71 1HB ASN 13 2HB ASN 13 -0.259 -13.584 19.783 72 2HB ASN 13 1HB ASN 13 -0.453 -12.068 18.901 73 1HD2 ASN 13 1HD2 ASN 13 -2.907 -11.214 19.091 74 2HD2 ASN 13 2HD2 ASN 13 -3.545 -11.253 20.665 75 H GLY 14 H GLY 14 -0.927 -12.935 15.868 76 1HA GLY 14 2HA GLY 14 -2.879 -10.720 15.624 77 2HA GLY 14 1HA GLY 14 -1.533 -11.040 14.529 78 H LYS 15 H LYS 15 -2.853 -13.983 14.966 79 HA LYS 15 HA LYS 15 -4.119 -15.360 13.551 80 1HB LYS 15 2HB LYS 15 -5.895 -12.899 13.481 81 2HB LYS 15 1HB LYS 15 -6.374 -14.521 12.999 82 1HG LYS 15 2HG LYS 15 -7.105 -14.711 15.166 83 2HG LYS 15 1HG LYS 15 -5.409 -15.018 15.530 84 1HD LYS 15 2HD LYS 15 -5.077 -12.605 15.977 85 2HD LYS 15 1HD LYS 15 -6.778 -12.308 15.623 86 1HE LYS 15 2HE LYS 15 -6.640 -12.478 17.998 87 2HE LYS 15 1HE LYS 15 -7.306 -14.018 17.454 88 1HZ LYS 15 1HZ LYS 15 -4.896 -13.517 18.845 89 2HZ LYS 15 2HZ LYS 15 -4.558 -14.285 17.366 90 3HZ LYS 15 3HZ LYS 15 -5.625 -15.003 18.475 91 H GLY 16 H GLY 16 -2.401 -12.852 12.388 92 1HA GLY 16 2HA GLY 16 -2.865 -13.691 9.591 93 2HA GLY 16 1HA GLY 16 -3.161 -11.988 9.943 94 H GLY 17 H GLY 17 -0.629 -14.360 10.834 95 1HA GLY 17 2HA GLY 17 1.414 -12.650 9.553 96 2HA GLY 17 1HA GLY 17 1.556 -12.842 11.303 97 H GLU 18 H GLU 18 0.473 -15.613 11.190 98 HA GLU 18 HA GLU 18 3.006 -16.954 10.540 99 1HB GLU 18 2HB GLU 18 1.420 -17.389 12.591 100 2HB GLU 18 1HB GLU 18 0.494 -18.367 11.454 101 1HG GLU 18 2HG GLU 18 2.538 -19.674 10.936 102 2HG GLU 18 1HG GLU 18 3.438 -18.711 12.108 103 H LYS 19 H LYS 19 1.169 -15.792 8.468 104 HA LYS 19 HA LYS 19 -0.035 -18.018 7.048 105 1HB LYS 19 2HB LYS 19 -0.805 -15.652 6.814 106 2HB LYS 19 1HB LYS 19 0.731 -15.243 6.064 107 1HG LYS 19 2HG LYS 19 -0.611 -15.592 4.187 108 2HG LYS 19 1HG LYS 19 0.113 -17.178 4.382 109 1HD LYS 19 2HD LYS 19 -2.153 -17.710 4.123 110 2HD LYS 19 1HD LYS 19 -1.982 -17.690 5.872 111 1HE LYS 19 2HE LYS 19 -2.979 -15.517 6.041 112 2HE LYS 19 1HE LYS 19 -2.875 -15.258 4.302 113 1HZ LYS 19 1HZ LYS 19 -4.272 -17.534 4.430 114 2HZ LYS 19 2HZ LYS 19 -4.970 -15.991 4.324 115 3HZ LYS 19 3HZ LYS 19 -4.814 -16.752 5.834 116 H ALA 20 H ALA 20 2.322 -15.872 5.509 117 HA ALA 20 HA ALA 20 4.104 -16.434 4.084 118 1HB ALA 20 1HB ALA 20 5.364 -16.737 6.067 119 2HB ALA 20 2HB ALA 20 5.638 -18.224 5.161 120 3HB ALA 20 3HB ALA 20 4.489 -18.207 6.498 121 H ASP 21 H ASP 21 1.556 -17.791 3.585 122 HA ASP 21 HA ASP 21 2.157 -20.560 2.942 123 1HB ASP 21 2HB ASP 21 -0.173 -19.398 3.406 124 2HB ASP 21 1HB ASP 21 -0.124 -19.041 1.681 125 H ASN 22 H ASN 22 3.696 -18.149 1.823 126 HA ASN 22 HA ASN 22 4.963 -17.871 -0.121 127 1HB ASN 22 2HB ASN 22 4.198 -20.527 -0.268 128 2HB ASN 22 1HB ASN 22 3.525 -19.900 -1.763 129 1HD2 ASN 22 1HD2 ASN 22 5.226 -18.428 -3.013 130 2HD2 ASN 22 2HD2 ASN 22 6.799 -19.067 -3.065 131 H ALA 23 H ALA 23 1.794 -18.862 -1.428 132 HA ALA 23 HA ALA 23 1.739 -16.533 -3.175 133 1HB ALA 23 1HB ALA 23 0.879 -18.550 -4.109 134 2HB ALA 23 2HB ALA 23 -0.518 -17.511 -3.836 135 3HB ALA 23 3HB ALA 23 -0.168 -18.828 -2.718 136 H ALA 24 H ALA 24 0.143 -17.494 -0.180 137 HA ALA 24 HA ALA 24 -1.943 -15.525 -0.273 138 1HB ALA 24 1HB ALA 24 -2.083 -15.874 2.184 139 2HB ALA 24 2HB ALA 24 -0.582 -16.794 2.123 140 3HB ALA 24 3HB ALA 24 -2.023 -17.401 1.305 141 H GLN 25 H GLN 25 1.160 -15.495 1.484 142 HA GLN 25 HA GLN 25 0.988 -12.819 2.402 143 1HB GLN 25 2HB GLN 25 3.177 -13.141 3.133 144 2HB GLN 25 1HB GLN 25 2.663 -14.810 2.908 145 1HG GLN 25 2HG GLN 25 4.736 -14.770 1.818 146 2HG GLN 25 1HG GLN 25 3.605 -14.531 0.488 147 1HE2 GLN 25 1HE2 GLN 25 5.142 -13.308 -0.795 148 2HE2 GLN 25 2HE2 GLN 25 5.633 -11.745 -0.351 149 H VAL 26 H VAL 26 1.476 -14.015 -0.770 150 HA VAL 26 HA VAL 26 3.074 -11.851 -1.760 151 HB VAL 26 HB VAL 26 2.136 -14.299 -2.731 152 1HG1 VAL 26 1HG1 VAL 26 0.113 -13.428 -3.704 153 2HG1 VAL 26 2HG1 VAL 26 1.246 -13.769 -4.996 154 3HG1 VAL 26 3HG1 VAL 26 0.990 -12.109 -4.479 155 1HG2 VAL 26 1HG2 VAL 26 3.548 -12.179 -4.363 156 2HG2 VAL 26 2HG2 VAL 26 3.636 -13.925 -4.590 157 3HG2 VAL 26 3HG2 VAL 26 4.341 -13.188 -3.153 158 H LYS 27 H LYS 27 -0.404 -12.471 -2.338 159 HA LYS 27 HA LYS 27 -0.791 -9.803 -3.364 160 1HB LYS 27 2HB LYS 27 -3.136 -10.351 -3.449 161 2HB LYS 27 1HB LYS 27 -2.234 -11.799 -3.891 162 1HG LYS 27 2HG LYS 27 -2.401 -12.323 -1.290 163 2HG LYS 27 1HG LYS 27 -3.770 -11.214 -1.369 164 1HD LYS 27 2HD LYS 27 -4.666 -12.601 -3.288 165 2HD LYS 27 1HD LYS 27 -3.393 -13.772 -2.951 166 1HE LYS 27 2HE LYS 27 -5.451 -14.456 -1.825 167 2HE LYS 27 1HE LYS 27 -4.249 -13.993 -0.623 168 1HZ LYS 27 1HZ LYS 27 -5.288 -11.772 -0.570 169 2HZ LYS 27 2HZ LYS 27 -6.337 -13.008 -0.064 170 3HZ LYS 27 3HZ LYS 27 -6.501 -12.334 -1.614 171 H ASP 28 H ASP 28 -1.085 -11.196 -0.136 172 HA ASP 28 HA ASP 28 -2.618 -9.141 1.078 173 1HB ASP 28 2HB ASP 28 -1.938 -11.321 2.153 174 2HB ASP 28 1HB ASP 28 -0.331 -10.629 2.391 175 H ALA 29 H ALA 29 0.953 -9.409 0.925 176 HA ALA 29 HA ALA 29 1.466 -6.874 2.125 177 1HB ALA 29 1HB ALA 29 3.259 -8.471 2.003 178 2HB ALA 29 2HB ALA 29 3.718 -7.128 0.954 179 3HB ALA 29 3HB ALA 29 3.087 -8.620 0.255 180 H LEU 30 H LEU 30 1.210 -7.836 -1.291 181 HA LEU 30 HA LEU 30 1.791 -5.271 -2.297 182 1HB LEU 30 2HB LEU 30 0.004 -7.405 -3.458 183 2HB LEU 30 1HB LEU 30 0.717 -6.080 -4.368 184 HG LEU 30 HG LEU 30 2.352 -8.086 -2.795 185 1HD1 LEU 30 1HD1 LEU 30 2.724 -9.326 -4.773 186 2HD1 LEU 30 2HD1 LEU 30 2.085 -8.042 -5.796 187 3HD1 LEU 30 3HD1 LEU 30 0.991 -9.006 -4.806 188 1HD2 LEU 30 1HD2 LEU 30 4.113 -7.184 -4.491 189 2HD2 LEU 30 2HD2 LEU 30 3.695 -6.192 -3.105 190 3HD2 LEU 30 3HD2 LEU 30 2.999 -5.832 -4.683 191 H THR 31 H THR 31 -1.467 -6.724 -1.893 192 HA THR 31 HA THR 31 -2.834 -4.268 -2.333 193 HB THR 31 HB THR 31 -3.962 -6.338 -0.483 194 HG1 THR 31 1HG THR 31 -2.763 -7.188 -2.450 195 1HG2 THR 31 1HG2 THR 31 -5.305 -4.364 -1.105 196 2HG2 THR 31 2HG2 THR 31 -6.017 -5.852 -1.728 197 3HG2 THR 31 3HG2 THR 31 -5.118 -4.784 -2.807 198 H LYS 32 H LYS 32 -1.121 -5.420 0.487 199 HA LYS 32 HA LYS 32 -2.523 -3.948 2.487 200 1HB LYS 32 2HB LYS 32 -0.800 -5.574 3.104 201 2HB LYS 32 1HB LYS 32 0.437 -4.606 2.314 202 1HG LYS 32 2HG LYS 32 -1.173 -3.150 4.363 203 2HG LYS 32 1HG LYS 32 -0.148 -4.436 4.993 204 1HD LYS 32 2HD LYS 32 1.809 -3.431 3.838 205 2HD LYS 32 1HD LYS 32 0.786 -2.116 3.269 206 1HE LYS 32 2HE LYS 32 1.747 -1.210 5.206 207 2HE LYS 32 1HE LYS 32 0.191 -1.797 5.792 208 1HZ LYS 32 1HZ LYS 32 1.395 -3.920 6.347 209 2HZ LYS 32 2HZ LYS 32 1.797 -2.572 7.300 210 3HZ LYS 32 3HZ LYS 32 2.844 -3.086 6.064 211 H MET 33 H MET 33 0.363 -3.028 0.586 212 HA MET 33 HA MET 33 0.477 -0.331 1.517 213 1HB MET 33 2HB MET 33 1.272 -1.417 -1.208 214 2HB MET 33 1HB MET 33 1.786 0.134 -0.539 215 1HG MET 33 2HG MET 33 2.616 -1.376 1.485 216 2HG MET 33 1HG MET 33 2.605 -2.647 0.260 217 1HE MET 33 1HE MET 33 3.470 -0.902 -2.502 218 2HE MET 33 2HE MET 33 3.554 -2.551 -1.889 219 3HE MET 33 3HE MET 33 5.033 -1.718 -2.362 220 H ARG 34 H ARG 34 -1.469 -1.841 -1.032 221 HA ARG 34 HA ARG 34 -2.372 0.527 -2.330 222 1HB ARG 34 2HB ARG 34 -2.851 -1.569 -3.348 223 2HB ARG 34 1HB ARG 34 -3.654 -2.168 -1.909 224 1HG ARG 34 2HG ARG 34 -5.558 -0.844 -2.252 225 2HG ARG 34 1HG ARG 34 -4.715 0.245 -3.356 226 1HD ARG 34 2HD ARG 34 -4.568 -1.502 -5.049 227 2HD ARG 34 1HD ARG 34 -5.264 -2.686 -3.934 228 HE ARG 34 HE ARG 34 -6.743 -0.713 -5.483 229 1HH1 ARG 34 1HH2 ARG 34 -6.583 -2.560 -2.577 230 2HH1 ARG 34 2HH2 ARG 34 -8.298 -2.562 -2.321 231 1HH2 ARG 34 1HH1 ARG 34 -8.994 -0.706 -5.165 232 2HH2 ARG 34 2HH1 ARG 34 -9.659 -1.511 -3.784 233 H ALA 35 H ALA 35 -4.003 -1.298 0.299 234 HA ALA 35 HA ALA 35 -6.108 0.570 0.673 235 1HB ALA 35 1HB ALA 35 -6.404 -0.439 2.878 236 2HB ALA 35 2HB ALA 35 -4.782 -1.127 2.806 237 3HB ALA 35 3HB ALA 35 -6.034 -1.701 1.702 238 H ALA 36 H ALA 36 -2.796 0.560 1.909 239 HA ALA 36 HA ALA 36 -3.091 2.606 3.871 240 1HB ALA 36 1HB ALA 36 -1.031 1.162 3.454 241 2HB ALA 36 2HB ALA 36 -0.710 2.873 3.738 242 3HB ALA 36 3HB ALA 36 -0.668 2.229 2.097 243 H ALA 37 H ALA 37 -2.312 2.810 0.388 244 HA ALA 37 HA ALA 37 -2.055 5.644 0.287 245 1HB ALA 37 1HB ALA 37 -3.278 4.211 -2.048 246 2HB ALA 37 2HB ALA 37 -1.680 3.690 -1.522 247 3HB ALA 37 3HB ALA 37 -1.940 5.362 -2.014 248 H LEU 38 H LEU 38 -4.896 3.546 -0.244 249 HA LEU 38 HA LEU 38 -6.728 5.712 -0.702 250 1HB LEU 38 2HB LEU 38 -7.239 2.905 0.333 251 2HB LEU 38 1HB LEU 38 -8.485 4.008 -0.244 252 HG LEU 38 HG LEU 38 -6.127 3.110 -1.930 253 1HD1 LEU 38 1HD1 LEU 38 -7.539 1.484 -2.956 254 2HD1 LEU 38 2HD1 LEU 38 -8.975 2.123 -2.159 255 3HD1 LEU 38 3HD1 LEU 38 -7.757 1.261 -1.222 256 1HD2 LEU 38 1HD2 LEU 38 -8.607 4.763 -2.425 257 2HD2 LEU 38 2HD2 LEU 38 -7.872 3.863 -3.750 258 3HD2 LEU 38 3HD2 LEU 38 -6.942 5.089 -2.899 259 H ASP 39 H ASP 39 -6.149 3.727 2.226 260 HA ASP 39 HA ASP 39 -7.904 5.210 3.898 261 1HB ASP 39 2HB ASP 39 -6.563 2.992 4.364 262 2HB ASP 39 1HB ASP 39 -5.320 4.083 4.977 263 H ALA 40 H ALA 40 -4.616 5.838 2.849 264 HA ALA 40 HA ALA 40 -4.138 7.975 4.721 265 1HB ALA 40 1HB ALA 40 -2.226 6.893 3.736 266 2HB ALA 40 2HB ALA 40 -2.256 8.545 3.119 267 3HB ALA 40 3HB ALA 40 -2.816 7.214 2.106 268 H GLN 41 H GLN 41 -5.932 7.690 1.811 269 HA GLN 41 HA GLN 41 -5.697 10.390 0.885 270 1HB GLN 41 2HB GLN 41 -7.230 9.771 -0.760 271 2HB GLN 41 1HB GLN 41 -6.552 8.215 -0.314 272 1HG GLN 41 2HG GLN 41 -8.653 8.341 1.450 273 2HG GLN 41 1HG GLN 41 -9.312 9.271 0.113 274 1HE2 GLN 41 1HE2 GLN 41 -9.943 6.447 1.115 275 2HE2 GLN 41 2HE2 GLN 41 -9.802 5.476 -0.271 276 H LYS 42 H LYS 42 -8.570 10.797 0.615 277 HA LYS 42 HA LYS 42 -9.014 12.406 2.973 278 1HB LYS 42 2HB LYS 42 -11.337 11.694 1.212 279 2HB LYS 42 1HB LYS 42 -10.827 13.272 1.815 280 1HG LYS 42 2HG LYS 42 -8.804 13.022 0.243 281 2HG LYS 42 1HG LYS 42 -9.699 11.695 -0.501 282 1HD LYS 42 2HD LYS 42 -10.675 14.551 -0.211 283 2HD LYS 42 1HD LYS 42 -10.121 13.789 -1.703 284 1HE LYS 42 2HE LYS 42 -11.950 12.020 -1.266 285 2HE LYS 42 1HE LYS 42 -12.602 13.170 -0.097 286 1HZ LYS 42 1HZ LYS 42 -12.712 14.830 -1.849 287 2HZ LYS 42 2HZ LYS 42 -13.618 13.453 -2.266 288 3HZ LYS 42 3HZ LYS 42 -12.093 13.719 -2.971 289 H ALA 43 H ALA 43 -8.510 10.030 4.026 290 HA ALA 43 HA ALA 43 -11.172 9.078 5.037 291 1HB ALA 43 1HB ALA 43 -10.298 7.444 3.382 292 2HB ALA 43 2HB ALA 43 -10.334 6.767 5.011 293 3HB ALA 43 3HB ALA 43 -8.812 7.318 4.317 294 H THR 44 H THR 44 -7.655 8.856 5.536 295 HA THR 44 HA THR 44 -8.040 9.560 8.393 296 HB THR 44 HB THR 44 -6.182 7.333 7.516 297 HG1 THR 44 1HG THR 44 -8.551 6.816 8.892 298 1HG2 THR 44 1HG2 THR 44 -5.950 6.896 9.834 299 2HG2 THR 44 2HG2 THR 44 -7.367 7.865 10.239 300 3HG2 THR 44 3HG2 THR 44 -5.883 8.655 9.706 301 HA PRO 45 HA PRO 45 -5.045 12.003 5.563 302 1HB PRO 45 2HB PRO 45 -5.953 13.779 7.819 303 2HB PRO 45 1HB PRO 45 -5.547 14.213 6.144 304 1HG PRO 45 2HG PRO 45 -8.082 13.911 6.911 305 2HG PRO 45 1HG PRO 45 -7.533 13.396 5.305 306 1HD PRO 45 2HD PRO 45 -8.341 11.722 7.618 307 2HD PRO 45 1HD PRO 45 -8.252 11.292 5.895 308 HA PRO 46 HA PRO 46 -2.147 10.645 8.942 309 1HB PRO 46 2HB PRO 46 -0.157 10.603 6.737 310 2HB PRO 46 1HB PRO 46 -0.624 9.305 7.850 311 1HG PRO 46 2HG PRO 46 -1.315 9.293 5.245 312 2HG PRO 46 1HG PRO 46 -2.347 8.586 6.503 313 1HD PRO 46 2HD PRO 46 -2.641 11.215 5.080 314 2HD PRO 46 1HD PRO 46 -3.890 10.069 5.605 315 H LYS 47 H LYS 47 -0.857 12.647 6.267 316 HA LYS 47 HA LYS 47 -0.333 14.848 8.183 317 1HB LYS 47 2HB LYS 47 1.997 15.083 7.180 318 2HB LYS 47 1HB LYS 47 1.779 13.715 8.268 319 1HG LYS 47 2HG LYS 47 1.529 12.188 6.409 320 2HG LYS 47 1HG LYS 47 1.514 13.516 5.253 321 1HD LYS 47 2HD LYS 47 3.884 13.167 7.090 322 2HD LYS 47 1HD LYS 47 3.742 12.157 5.653 323 1HE LYS 47 2HE LYS 47 3.509 14.231 4.270 324 2HE LYS 47 1HE LYS 47 3.801 15.189 5.721 325 1HZ LYS 47 1HZ LYS 47 5.650 13.211 4.507 326 2HZ LYS 47 2HZ LYS 47 5.924 14.006 5.983 327 3HZ LYS 47 3HZ LYS 47 5.848 14.895 4.538 328 H LEU 48 H LEU 48 -1.779 13.927 5.482 329 HA LEU 48 HA LEU 48 -0.886 16.004 3.645 330 1HB LEU 48 2HB LEU 48 -3.314 14.205 3.572 331 2HB LEU 48 1HB LEU 48 -2.803 15.260 2.259 332 HG LEU 48 HG LEU 48 -0.958 13.170 3.436 333 1HD1 LEU 48 1HD1 LEU 48 -1.641 11.682 1.586 334 2HD1 LEU 48 2HD1 LEU 48 -2.863 12.855 1.096 335 3HD1 LEU 48 3HD1 LEU 48 -3.001 12.035 2.651 336 1HD2 LEU 48 1HD2 LEU 48 -1.035 14.798 0.880 337 2HD2 LEU 48 2HD2 LEU 48 -0.045 13.350 1.026 338 3HD2 LEU 48 3HD2 LEU 48 0.247 14.723 2.089 339 H GLU 49 H GLU 49 -2.683 16.079 6.386 340 HA GLU 49 HA GLU 49 -4.647 18.062 5.482 341 1HB GLU 49 2HB GLU 49 -5.480 16.627 7.161 342 2HB GLU 49 1HB GLU 49 -3.967 16.686 8.059 343 1HG GLU 49 2HG GLU 49 -5.570 19.216 7.697 344 2HG GLU 49 1HG GLU 49 -6.076 18.050 8.917 345 H ASP 50 H ASP 50 -1.462 17.942 6.437 346 HA ASP 50 HA ASP 50 -1.250 20.515 7.778 347 1HB ASP 50 2HB ASP 50 0.635 18.529 6.540 348 2HB ASP 50 1HB ASP 50 1.244 20.128 6.979 349 H LYS 51 H LYS 51 -2.316 19.818 4.831 350 HA LYS 51 HA LYS 51 -1.311 22.349 3.638 351 1HB LYS 51 2HB LYS 51 -0.922 19.554 2.619 352 2HB LYS 51 1HB LYS 51 -1.173 20.844 1.437 353 1HG LYS 51 2HG LYS 51 0.765 22.029 2.180 354 2HG LYS 51 1HG LYS 51 0.908 21.031 3.624 355 1HD LYS 51 2HD LYS 51 1.349 19.049 2.201 356 2HD LYS 51 1HD LYS 51 1.272 20.082 0.772 357 1HE LYS 51 2HE LYS 51 3.172 20.618 3.062 358 2HE LYS 51 1HE LYS 51 3.614 19.622 1.677 359 1HZ LYS 51 1HZ LYS 51 3.030 22.499 1.787 360 2HZ LYS 51 2HZ LYS 51 2.732 21.648 0.346 361 3HZ LYS 51 3HZ LYS 51 4.298 21.689 1.008 362 H SER 52 H SER 52 -3.575 19.568 3.256 363 HA SER 52 HA SER 52 -5.796 19.607 2.424 364 1HB SER 52 2HB SER 52 -5.514 21.753 4.119 365 2HB SER 52 1HB SER 52 -5.994 22.574 2.640 366 HG SER 52 HG SER 52 -7.344 20.278 3.598 367 HA PRO 53 HA PRO 53 -5.741 20.883 -1.828 368 1HB PRO 53 2HB PRO 53 -7.813 23.019 -1.467 369 2HB PRO 53 1HB PRO 53 -7.811 21.628 -2.572 370 1HG PRO 53 2HG PRO 53 -9.346 21.588 -0.429 371 2HG PRO 53 1HG PRO 53 -8.430 20.138 -0.890 372 1HD PRO 53 2HD PRO 53 -7.796 22.135 1.264 373 2HD PRO 53 1HD PRO 53 -7.718 20.354 1.310 374 H ASP 54 H ASP 54 -3.769 22.128 -0.378 375 HA ASP 54 HA ASP 54 -3.610 24.921 -1.414 376 1HB ASP 54 2HB ASP 54 -3.407 24.805 1.026 377 2HB ASP 54 1HB ASP 54 -2.167 23.554 0.898 378 H SER 55 H SER 55 -2.599 24.687 -3.400 379 HA SER 55 HA SER 55 -0.721 24.468 -4.789 380 1HB SER 55 2HB SER 55 0.450 24.394 -2.326 381 2HB SER 55 1HB SER 55 0.862 22.786 -2.904 382 HG SER 55 HG SER 55 1.328 25.275 -4.202 383 HA PRO 56 HA PRO 56 -0.980 20.478 -6.777 384 1HB PRO 56 2HB PRO 56 1.708 19.529 -5.830 385 2HB PRO 56 1HB PRO 56 1.028 19.524 -7.473 386 1HG PRO 56 2HG PRO 56 2.811 21.333 -6.797 387 2HG PRO 56 1HG PRO 56 1.402 21.803 -7.764 388 1HD PRO 56 2HD PRO 56 1.931 22.254 -4.846 389 2HD PRO 56 1HD PRO 56 1.164 23.334 -6.035 390 H GLU 57 H GLU 57 -1.053 20.620 -3.533 391 HA GLU 57 HA GLU 57 -0.626 18.082 -2.460 392 1HB GLU 57 2HB GLU 57 -1.402 19.807 -0.986 393 2HB GLU 57 1HB GLU 57 -2.862 20.063 -1.940 394 1HG GLU 57 2HG GLU 57 -3.188 18.748 0.212 395 2HG GLU 57 1HG GLU 57 -3.786 17.952 -1.243 396 H MET 58 H MET 58 -3.461 19.180 -4.315 397 HA MET 58 HA MET 58 -4.946 16.741 -4.161 398 1HB MET 58 2HB MET 58 -5.821 18.980 -4.922 399 2HB MET 58 1HB MET 58 -4.957 18.740 -6.439 400 1HG MET 58 2HG MET 58 -7.189 17.994 -6.842 401 2HG MET 58 1HG MET 58 -6.232 16.528 -6.653 402 1HE MET 58 1HE MET 58 -9.578 17.750 -5.943 403 2HE MET 58 2HE MET 58 -9.946 16.230 -5.130 404 3HE MET 58 3HE MET 58 -9.024 16.216 -6.631 405 H LYS 59 H LYS 59 -2.592 17.896 -6.595 406 HA LYS 59 HA LYS 59 -2.920 15.633 -8.327 407 1HB LYS 59 2HB LYS 59 -0.447 17.349 -8.101 408 2HB LYS 59 1HB LYS 59 -1.029 16.474 -9.517 409 1HG LYS 59 2HG LYS 59 -3.052 17.900 -9.562 410 2HG LYS 59 1HG LYS 59 -2.451 18.786 -8.163 411 1HD LYS 59 2HD LYS 59 -1.670 20.169 -9.847 412 2HD LYS 59 1HD LYS 59 -0.291 19.083 -9.696 413 1HE LYS 59 2HE LYS 59 -0.886 19.341 -12.057 414 2HE LYS 59 1HE LYS 59 -1.221 17.689 -11.537 415 1HZ LYS 59 1HZ LYS 59 -3.518 18.190 -11.321 416 2HZ LYS 59 2HZ LYS 59 -3.028 18.743 -12.850 417 3HZ LYS 59 3HZ LYS 59 -3.258 19.846 -11.578 418 H ASP 60 H ASP 60 -0.161 16.344 -6.084 419 HA ASP 60 HA ASP 60 1.179 13.910 -6.492 420 1HB ASP 60 2HB ASP 60 1.779 14.197 -3.918 421 2HB ASP 60 1HB ASP 60 2.389 15.333 -5.112 422 H PHE 61 H PHE 61 -1.752 14.538 -4.669 423 HA PHE 61 HA PHE 61 -1.791 11.997 -3.306 424 1HB PHE 61 2HB PHE 61 -3.303 13.477 -2.340 425 2HB PHE 61 1HB PHE 61 -3.696 14.240 -3.872 426 HD1 PHE 61 1HD PHE 61 -6.066 14.168 -3.822 427 HD2 PHE 61 2HD PHE 61 -3.808 10.590 -3.100 428 HE1 PHE 61 1HE PHE 61 -8.145 12.841 -3.938 429 HE2 PHE 61 2HE PHE 61 -5.895 9.251 -3.218 430 HZ PHE 61 HZ PHE 61 -8.065 10.377 -3.637 431 H ARG 62 H ARG 62 -3.216 13.319 -6.259 432 HA ARG 62 HA ARG 62 -4.289 10.840 -7.200 433 1HB ARG 62 2HB ARG 62 -3.499 13.316 -8.754 434 2HB ARG 62 1HB ARG 62 -4.538 12.023 -9.348 435 1HG ARG 62 2HG ARG 62 -5.299 13.316 -6.740 436 2HG ARG 62 1HG ARG 62 -5.547 14.251 -8.208 437 1HD ARG 62 2HD ARG 62 -6.852 12.373 -9.173 438 2HD ARG 62 1HD ARG 62 -6.622 11.462 -7.681 439 HE ARG 62 HE ARG 62 -7.829 14.087 -7.257 440 1HH1 ARG 62 1HH2 ARG 62 -8.296 10.754 -8.028 441 2HH1 ARG 62 2HH2 ARG 62 -9.936 10.718 -7.472 442 1HH2 ARG 62 1HH1 ARG 62 -9.981 14.054 -6.531 443 2HH2 ARG 62 2HH1 ARG 62 -10.887 12.582 -6.630 444 H HIS 63 H HIS 63 -1.419 12.678 -8.356 445 HA HIS 63 HA HIS 63 -0.448 10.532 -9.973 446 1HB HIS 63 2HB HIS 63 0.185 13.061 -9.977 447 2HB HIS 63 1HB HIS 63 1.360 12.613 -8.744 448 HD1 HIS 63 1HD HIS 63 2.686 13.581 -11.165 449 HD2 HIS 63 2HD HIS 63 1.434 9.614 -10.914 450 HE1 HIS 63 1HE HIS 63 4.032 12.293 -12.879 451 H GLY 64 H GLY 64 -0.093 11.199 -6.549 452 1HA GLY 64 2HA GLY 64 2.185 9.382 -6.229 453 2HA GLY 64 1HA GLY 64 1.303 10.167 -4.921 454 H PHE 65 H PHE 65 -1.242 9.257 -5.105 455 HA PHE 65 HA PHE 65 -0.995 6.514 -4.268 456 1HB PHE 65 2HB PHE 65 -3.085 6.844 -3.406 457 2HB PHE 65 1HB PHE 65 -2.958 8.497 -3.978 458 HD1 PHE 65 1HD PHE 65 -4.574 9.299 -5.491 459 HD2 PHE 65 2HD PHE 65 -3.938 5.072 -5.148 460 HE1 PHE 65 1HE PHE 65 -6.467 8.896 -7.032 461 HE2 PHE 65 2HE PHE 65 -5.834 4.662 -6.692 462 HZ PHE 65 HZ PHE 65 -7.100 6.576 -7.634 463 H ASP 66 H ASP 66 -1.539 8.022 -7.342 464 HA ASP 66 HA ASP 66 -2.719 5.759 -8.679 465 1HB ASP 66 2HB ASP 66 -2.883 7.952 -9.692 466 2HB ASP 66 1HB ASP 66 -1.127 8.111 -9.730 467 H ILE 67 H ILE 67 0.623 6.934 -8.429 468 HA ILE 67 HA ILE 67 1.797 4.843 -9.976 469 HB ILE 67 HB ILE 67 2.916 6.605 -7.778 470 1HG1 ILE 67 2HG1 ILE 67 3.320 6.701 -10.777 471 2HG1 ILE 67 1HG1 ILE 67 2.027 7.581 -9.959 472 1HG2 ILE 67 1HG2 ILE 67 5.065 5.789 -9.387 473 2HG2 ILE 67 2HG2 ILE 67 4.142 4.307 -9.176 474 3HG2 ILE 67 3HG2 ILE 67 4.724 5.194 -7.766 475 1HD1 ILE 67 1HD1 ILE 67 4.000 9.027 -10.271 476 2HD1 ILE 67 2HD1 ILE 67 4.997 7.864 -9.396 477 3HD1 ILE 67 3HD1 ILE 67 3.713 8.731 -8.556 478 H LEU 68 H LEU 68 1.169 5.094 -6.489 479 HA LEU 68 HA LEU 68 2.397 2.653 -5.723 480 1HB LEU 68 2HB LEU 68 0.667 4.620 -4.475 481 2HB LEU 68 1HB LEU 68 0.038 3.019 -4.101 482 HG LEU 68 HG LEU 68 2.525 2.438 -3.494 483 1HD1 LEU 68 1HD1 LEU 68 2.545 5.469 -3.316 484 2HD1 LEU 68 2HD1 LEU 68 3.507 4.493 -4.429 485 3HD1 LEU 68 3HD1 LEU 68 3.798 4.394 -2.692 486 1HD2 LEU 68 1HD2 LEU 68 0.892 4.344 -1.801 487 2HD2 LEU 68 2HD2 LEU 68 2.176 3.292 -1.210 488 3HD2 LEU 68 3HD2 LEU 68 0.697 2.593 -1.864 489 H VAL 69 H VAL 69 -1.101 3.225 -6.347 490 HA VAL 69 HA VAL 69 -1.744 0.446 -6.370 491 HB VAL 69 HB VAL 69 -3.237 2.765 -6.503 492 1HG1 VAL 69 1HG1 VAL 69 -4.487 2.852 -8.550 493 2HG1 VAL 69 2HG1 VAL 69 -3.704 1.395 -9.158 494 3HG1 VAL 69 3HG1 VAL 69 -2.782 2.888 -8.995 495 1HG2 VAL 69 1HG2 VAL 69 -4.024 -0.094 -7.085 496 2HG2 VAL 69 2HG2 VAL 69 -5.212 1.193 -6.874 497 3HG2 VAL 69 3HG2 VAL 69 -4.126 0.769 -5.553 498 H GLY 70 H GLY 70 -0.571 2.604 -8.899 499 1HA GLY 70 2HA GLY 70 -0.968 0.816 -11.106 500 2HA GLY 70 1HA GLY 70 0.204 2.134 -11.063 501 H GLN 71 H GLN 71 1.541 1.082 -8.652 502 HA GLN 71 HA GLN 71 3.273 -0.889 -10.011 503 1HB GLN 71 2HB GLN 71 3.470 0.471 -7.311 504 2HB GLN 71 1HB GLN 71 4.700 -0.590 -7.985 505 1HG GLN 71 2HG GLN 71 5.309 0.939 -9.649 506 2HG GLN 71 1HG GLN 71 3.776 1.806 -9.557 507 1HE2 GLN 71 1HE2 GLN 71 3.384 2.845 -7.215 508 2HE2 GLN 71 2HE2 GLN 71 4.752 3.568 -6.512 509 H ILE 72 H ILE 72 1.355 -0.642 -7.037 510 HA ILE 72 HA ILE 72 1.939 -3.219 -6.018 511 HB ILE 72 HB ILE 72 -0.603 -1.570 -5.840 512 1HG1 ILE 72 2HG1 ILE 72 1.545 -1.819 -3.719 513 2HG1 ILE 72 1HG1 ILE 72 1.715 -0.643 -5.019 514 1HG2 ILE 72 1HG2 ILE 72 0.392 -3.846 -4.111 515 2HG2 ILE 72 2HG2 ILE 72 -0.987 -3.928 -5.206 516 3HG2 ILE 72 3HG2 ILE 72 -1.039 -2.883 -3.792 517 1HD1 ILE 72 1HD1 ILE 72 -0.630 -0.833 -3.108 518 2HD1 ILE 72 2HD1 ILE 72 -0.469 0.339 -4.415 519 3HD1 ILE 72 3HD1 ILE 72 0.648 0.380 -3.050 520 H ASP 73 H ASP 73 -0.353 -2.078 -8.440 521 HA ASP 73 HA ASP 73 -1.676 -4.631 -8.786 522 1HB ASP 73 2HB ASP 73 -2.742 -2.535 -9.517 523 2HB ASP 73 1HB ASP 73 -1.439 -2.266 -10.675 524 H ASP 74 H ASP 74 0.927 -2.915 -10.584 525 HA ASP 74 HA ASP 74 1.361 -5.047 -12.459 526 1HB ASP 74 2HB ASP 74 3.448 -3.127 -11.459 527 2HB ASP 74 1HB ASP 74 3.442 -3.981 -12.993 528 H ALA 75 H ALA 75 2.324 -4.572 -9.158 529 HA ALA 75 HA ALA 75 4.466 -6.525 -9.235 530 1HB ALA 75 1HB ALA 75 4.129 -6.391 -6.666 531 2HB ALA 75 2HB ALA 75 2.996 -5.091 -7.027 532 3HB ALA 75 3HB ALA 75 4.687 -4.944 -7.502 533 H LEU 76 H LEU 76 1.008 -6.562 -8.550 534 HA LEU 76 HA LEU 76 0.951 -9.205 -7.395 535 1HB LEU 76 2HB LEU 76 -0.870 -7.428 -7.215 536 2HB LEU 76 1HB LEU 76 -1.325 -7.835 -8.865 537 HG LEU 76 HG LEU 76 -1.085 -10.155 -6.975 538 1HD1 LEU 76 1HD1 LEU 76 -2.218 -8.404 -5.590 539 2HD1 LEU 76 2HD1 LEU 76 -3.248 -9.789 -5.949 540 3HD1 LEU 76 3HD1 LEU 76 -3.461 -8.281 -6.837 541 1HD2 LEU 76 1HD2 LEU 76 -2.979 -10.980 -8.229 542 2HD2 LEU 76 2HD2 LEU 76 -1.845 -10.302 -9.393 543 3HD2 LEU 76 3HD2 LEU 76 -3.279 -9.391 -8.928 544 H LYS 77 H LYS 77 0.073 -8.053 -10.695 545 HA LYS 77 HA LYS 77 -0.391 -10.640 -11.773 546 1HB LYS 77 2HB LYS 77 0.390 -9.575 -13.995 547 2HB LYS 77 1HB LYS 77 -1.000 -8.847 -13.203 548 1HG LYS 77 2HG LYS 77 0.083 -6.875 -12.873 549 2HG LYS 77 1HG LYS 77 1.518 -7.673 -12.251 550 1HD LYS 77 2HD LYS 77 0.859 -7.403 -15.194 551 2HD LYS 77 1HD LYS 77 1.948 -6.342 -14.321 552 1HE LYS 77 2HE LYS 77 3.112 -8.648 -13.647 553 2HE LYS 77 1HE LYS 77 2.358 -9.199 -15.138 554 1HZ LYS 77 1HZ LYS 77 3.904 -8.156 -16.290 555 2HZ LYS 77 2HZ LYS 77 4.677 -7.704 -14.845 556 3HZ LYS 77 3HZ LYS 77 3.524 -6.675 -15.553 557 H LEU 78 H LEU 78 2.585 -8.826 -11.231 558 HA LEU 78 HA LEU 78 4.343 -10.618 -12.588 559 1HB LEU 78 2HB LEU 78 4.772 -8.258 -11.405 560 2HB LEU 78 1HB LEU 78 5.199 -9.272 -10.033 561 HG LEU 78 HG LEU 78 7.212 -8.799 -11.292 562 1HD1 LEU 78 1HD1 LEU 78 6.769 -11.139 -10.376 563 2HD1 LEU 78 2HD1 LEU 78 8.018 -11.011 -11.614 564 3HD1 LEU 78 3HD1 LEU 78 6.417 -11.617 -12.039 565 1HD2 LEU 78 1HD2 LEU 78 5.685 -8.577 -13.523 566 2HD2 LEU 78 2HD2 LEU 78 6.306 -10.208 -13.774 567 3HD2 LEU 78 3HD2 LEU 78 7.421 -8.860 -13.580 568 H ALA 79 H ALA 79 3.164 -10.473 -9.235 569 HA ALA 79 HA ALA 79 4.465 -12.845 -8.322 570 1HB ALA 79 1HB ALA 79 3.231 -11.182 -6.868 571 2HB ALA 79 2HB ALA 79 2.825 -12.866 -6.542 572 3HB ALA 79 3HB ALA 79 1.723 -11.859 -7.482 573 H ASN 80 H ASN 80 1.358 -12.301 -9.954 574 HA ASN 80 HA ASN 80 0.499 -15.033 -9.961 575 1HB ASN 80 2HB ASN 80 -0.032 -12.920 -12.068 576 2HB ASN 80 1HB ASN 80 -0.976 -14.382 -11.791 577 1HD2 ASN 80 1HD2 ASN 80 -2.880 -13.079 -11.305 578 2HD2 ASN 80 2HD2 ASN 80 -3.032 -12.254 -9.830 579 H GLU 81 H GLU 81 1.677 -13.231 -12.791 580 HA GLU 81 HA GLU 81 2.513 -15.594 -14.204 581 1HB GLU 81 2HB GLU 81 1.885 -13.655 -15.464 582 2HB GLU 81 1HB GLU 81 3.023 -12.630 -14.591 583 1HG GLU 81 2HG GLU 81 4.882 -13.498 -15.726 584 2HG GLU 81 1HG GLU 81 4.054 -14.998 -16.150 585 H GLY 82 H GLY 82 3.838 -14.489 -11.459 586 1HA GLY 82 2HA GLY 82 6.586 -15.376 -12.252 587 2HA GLY 82 1HA GLY 82 6.387 -13.912 -11.306 588 H LYS 83 H LYS 83 7.898 -15.760 -10.158 589 HA LYS 83 HA LYS 83 6.329 -17.599 -8.512 590 1HB LYS 83 2HB LYS 83 8.893 -17.676 -9.365 591 2HB LYS 83 1HB LYS 83 9.164 -16.917 -7.801 592 1HG LYS 83 2HG LYS 83 7.864 -18.791 -6.740 593 2HG LYS 83 1HG LYS 83 7.769 -19.559 -8.318 594 1HD LYS 83 2HD LYS 83 10.096 -19.937 -8.420 595 2HD LYS 83 1HD LYS 83 10.438 -18.754 -7.159 596 1HE LYS 83 2HE LYS 83 9.201 -20.249 -5.539 597 2HE LYS 83 1HE LYS 83 9.127 -21.464 -6.816 598 1HZ LYS 83 1HZ LYS 83 11.736 -20.649 -6.776 599 2HZ LYS 83 2HZ LYS 83 11.124 -22.095 -6.125 600 3HZ LYS 83 3HZ LYS 83 11.313 -20.728 -5.135 601 H VAL 84 H VAL 84 7.581 -17.247 -5.976 602 HA VAL 84 HA VAL 84 6.191 -14.796 -5.088 603 HB VAL 84 HB VAL 84 6.044 -17.200 -4.025 604 1HG1 VAL 84 1HG1 VAL 84 7.566 -17.465 -2.068 605 2HG1 VAL 84 2HG1 VAL 84 8.496 -16.080 -2.605 606 3HG1 VAL 84 3HG1 VAL 84 8.440 -17.543 -3.591 607 1HG2 VAL 84 1HG2 VAL 84 5.735 -16.081 -1.733 608 2HG2 VAL 84 2HG2 VAL 84 4.776 -15.469 -3.080 609 3HG2 VAL 84 3HG2 VAL 84 6.204 -14.582 -2.544 610 H LYS 85 H LYS 85 9.419 -16.299 -5.017 611 HA LYS 85 HA LYS 85 10.714 -14.101 -3.672 612 1HB LYS 85 2HB LYS 85 11.896 -16.148 -3.596 613 2HB LYS 85 1HB LYS 85 11.653 -16.457 -5.313 614 1HG LYS 85 2HG LYS 85 13.277 -14.893 -5.957 615 2HG LYS 85 1HG LYS 85 13.252 -14.072 -4.398 616 1HD LYS 85 2HD LYS 85 14.089 -16.965 -4.498 617 2HD LYS 85 1HD LYS 85 15.236 -15.734 -5.014 618 1HE LYS 85 2HE LYS 85 15.040 -14.590 -2.859 619 2HE LYS 85 1HE LYS 85 13.815 -15.743 -2.333 620 1HZ LYS 85 1HZ LYS 85 16.362 -16.817 -3.273 621 2HZ LYS 85 2HZ LYS 85 15.334 -17.377 -2.042 622 3HZ LYS 85 3HZ LYS 85 16.355 -16.051 -1.761 623 H GLU 86 H GLU 86 10.149 -15.012 -7.031 624 HA GLU 86 HA GLU 86 11.666 -12.960 -8.295 625 1HB GLU 86 2HB GLU 86 10.895 -14.542 -9.825 626 2HB GLU 86 1HB GLU 86 9.335 -14.701 -9.032 627 1HG GLU 86 2HG GLU 86 9.196 -13.617 -11.275 628 2HG GLU 86 1HG GLU 86 8.572 -12.597 -9.989 629 H ALA 87 H ALA 87 8.272 -13.078 -7.253 630 HA ALA 87 HA ALA 87 7.576 -10.424 -7.992 631 1HB ALA 87 1HB ALA 87 5.579 -10.892 -6.944 632 2HB ALA 87 2HB ALA 87 6.364 -11.488 -5.480 633 3HB ALA 87 3HB ALA 87 6.236 -12.526 -6.893 634 H GLN 88 H GLN 88 8.889 -11.668 -4.886 635 HA GLN 88 HA GLN 88 8.860 -9.156 -3.556 636 1HB GLN 88 2HB GLN 88 9.671 -10.412 -1.843 637 2HB GLN 88 1HB GLN 88 9.640 -11.778 -2.949 638 1HG GLN 88 2HG GLN 88 11.822 -11.698 -2.018 639 2HG GLN 88 1HG GLN 88 11.996 -11.102 -3.661 640 1HE2 GLN 88 1HE2 GLN 88 10.385 -8.666 -2.098 641 2HE2 GLN 88 2HE2 GLN 88 11.703 -7.734 -1.574 642 H ALA 89 H ALA 89 11.197 -10.581 -5.781 643 HA ALA 89 HA ALA 89 13.312 -8.714 -5.441 644 1HB ALA 89 1HB ALA 89 13.331 -10.852 -6.829 645 2HB ALA 89 2HB ALA 89 14.105 -9.456 -7.580 646 3HB ALA 89 3HB ALA 89 12.484 -9.942 -8.080 647 H ALA 90 H ALA 90 10.497 -8.618 -7.629 648 HA ALA 90 HA ALA 90 11.099 -6.167 -8.914 649 1HB ALA 90 1HB ALA 90 9.300 -7.737 -9.621 650 2HB ALA 90 2HB ALA 90 8.723 -6.078 -9.473 651 3HB ALA 90 3HB ALA 90 8.357 -7.256 -8.211 652 H ALA 91 H ALA 91 9.556 -6.856 -5.814 653 HA ALA 91 HA ALA 91 8.599 -4.213 -5.273 654 1HB ALA 91 1HB ALA 91 8.432 -4.936 -2.962 655 2HB ALA 91 2HB ALA 91 9.546 -6.270 -3.256 656 3HB ALA 91 3HB ALA 91 7.947 -6.276 -4.000 657 H GLU 92 H GLU 92 11.705 -5.799 -4.542 658 HA GLU 92 HA GLU 92 12.821 -3.726 -2.971 659 1HB GLU 92 2HB GLU 92 14.274 -5.574 -4.882 660 2HB GLU 92 1HB GLU 92 14.993 -4.700 -3.526 661 1HG GLU 92 2HG GLU 92 13.242 -5.895 -2.057 662 2HG GLU 92 1HG GLU 92 12.988 -6.956 -3.442 663 H GLN 93 H GLN 93 13.150 -4.258 -6.516 664 HA GLN 93 HA GLN 93 14.613 -1.822 -6.910 665 1HB GLN 93 2HB GLN 93 13.788 -2.001 -9.310 666 2HB GLN 93 1HB GLN 93 14.662 -3.406 -8.703 667 1HG GLN 93 2HG GLN 93 12.436 -4.439 -8.136 668 2HG GLN 93 1HG GLN 93 11.671 -3.092 -8.971 669 1HE2 GLN 93 1HE2 GLN 93 11.115 -3.662 -11.066 670 2HE2 GLN 93 2HE2 GLN 93 12.020 -4.685 -12.075 671 H LEU 94 H LEU 94 11.148 -2.544 -6.782 672 HA LEU 94 HA LEU 94 10.391 0.184 -7.499 673 1HB LEU 94 2HB LEU 94 8.791 -2.053 -6.222 674 2HB LEU 94 1HB LEU 94 8.117 -0.492 -6.699 675 HG LEU 94 HG LEU 94 9.534 -2.373 -8.609 676 1HD1 LEU 94 1HD1 LEU 94 7.435 -3.339 -7.645 677 2HD1 LEU 94 2HD1 LEU 94 7.345 -3.057 -9.383 678 3HD1 LEU 94 3HD1 LEU 94 6.562 -1.942 -8.268 679 1HD2 LEU 94 1HD2 LEU 94 9.597 -0.252 -9.612 680 2HD2 LEU 94 2HD2 LEU 94 8.074 0.250 -8.882 681 3HD2 LEU 94 3HD2 LEU 94 8.075 -0.886 -10.228 682 H LYS 95 H LYS 95 11.698 -1.251 -4.725 683 HA LYS 95 HA LYS 95 10.265 0.264 -2.722 684 1HB LYS 95 2HB LYS 95 11.702 -1.797 -2.332 685 2HB LYS 95 1HB LYS 95 13.113 -0.771 -2.550 686 1HG LYS 95 2HG LYS 95 10.941 -0.170 -0.521 687 2HG LYS 95 1HG LYS 95 12.349 -1.155 -0.140 688 1HD LYS 95 2HD LYS 95 13.650 0.963 -1.181 689 2HD LYS 95 1HD LYS 95 12.180 1.790 -0.680 690 1HE LYS 95 2HE LYS 95 13.883 0.055 1.133 691 2HE LYS 95 1HE LYS 95 13.947 1.815 1.077 692 1HZ LYS 95 1HZ LYS 95 12.076 0.124 2.391 693 2HZ LYS 95 2HZ LYS 95 11.285 1.198 1.339 694 3HZ LYS 95 3HZ LYS 95 12.312 1.795 2.554 695 H THR 96 H THR 96 13.391 0.726 -4.388 696 HA THR 96 HA THR 96 13.773 3.369 -3.222 697 HB THR 96 HB THR 96 15.775 2.261 -3.839 698 HG1 THR 96 1HG THR 96 16.643 3.809 -5.016 699 1HG2 THR 96 1HG2 THR 96 14.348 1.731 -6.447 700 2HG2 THR 96 2HG2 THR 96 14.995 0.557 -5.300 701 3HG2 THR 96 3HG2 THR 96 16.091 1.534 -6.275 702 H THR 97 H THR 97 12.354 2.134 -6.230 703 HA THR 97 HA THR 97 12.096 4.860 -7.331 704 HB THR 97 HB THR 97 11.425 2.093 -8.351 705 HG1 THR 97 1HG THR 97 13.013 2.698 -9.884 706 1HG2 THR 97 1HG2 THR 97 10.915 3.339 -10.519 707 2HG2 THR 97 2HG2 THR 97 10.784 4.792 -9.529 708 3HG2 THR 97 3HG2 THR 97 9.691 3.437 -9.252 709 H GLY 98 H GLY 98 10.127 2.435 -5.735 710 1HA GLY 98 2HA GLY 98 7.600 3.708 -6.421 711 2HA GLY 98 1HA GLY 98 7.804 2.384 -5.287 712 H ARG 99 H ARG 99 7.625 5.816 -5.629 713 HA ARG 99 HA ARG 99 7.123 6.149 -2.786 714 1HB ARG 99 2HB ARG 99 9.011 7.790 -2.456 715 2HB ARG 99 1HB ARG 99 9.532 6.113 -2.625 716 1HG ARG 99 2HG ARG 99 10.020 6.498 -5.011 717 2HG ARG 99 1HG ARG 99 9.494 8.175 -4.850 718 1HD ARG 99 2HD ARG 99 11.767 6.909 -3.298 719 2HD ARG 99 1HD ARG 99 11.966 7.959 -4.701 720 HE ARG 99 HE ARG 99 10.509 9.578 -3.116 721 1HH1 ARG 99 1HH2 ARG 99 13.179 7.492 -2.398 722 2HH1 ARG 99 2HH2 ARG 99 13.725 8.448 -1.064 723 1HH2 ARG 99 1HH1 ARG 99 11.226 10.824 -1.382 724 2HH2 ARG 99 2HH1 ARG 99 12.628 10.328 -0.492 725 H ALA 100 H ALA 100 6.007 8.073 -2.418 726 HA ALA 100 HA ALA 100 5.065 9.496 -4.782 727 1HB ALA 100 1HB ALA 100 4.532 9.996 -1.835 728 2HB ALA 100 2HB ALA 100 3.543 8.994 -2.896 729 3HB ALA 100 3HB ALA 100 3.655 10.732 -3.176 730 H GLY 101 H GLY 101 7.896 9.678 -3.272 731 1HA GLY 101 2HA GLY 101 9.559 11.340 -3.295 732 2HA GLY 101 1HA GLY 101 8.434 12.351 -4.197 733 H ASN 102 H ASN 102 6.649 11.488 -1.653 734 HA ASN 102 HA ASN 102 5.992 12.552 0.312 735 1HB ASN 102 2HB ASN 102 8.413 11.805 0.816 736 2HB ASN 102 1HB ASN 102 8.839 13.502 0.602 737 1HD2 ASN 102 1HD2 ASN 102 7.040 14.990 1.860 738 2HD2 ASN 102 2HD2 ASN 102 6.776 14.510 3.466 739 H GLN 103 H GLN 103 8.571 14.793 -0.777 740 HA GLN 103 HA GLN 103 6.644 17.030 -0.509 741 1HB GLN 103 2HB GLN 103 9.153 16.978 0.309 742 2HB GLN 103 1HB GLN 103 9.504 17.343 -1.380 743 1HG GLN 103 2HG GLN 103 7.506 19.161 -0.871 744 2HG GLN 103 1HG GLN 103 8.293 19.085 0.702 745 1HE2 GLN 103 1HE2 GLN 103 8.886 19.741 -2.762 746 2HE2 GLN 103 2HE2 GLN 103 10.285 20.673 -2.514 747 H LYS 104 H LYS 104 6.648 18.657 -2.207 748 HA LYS 104 HA LYS 104 7.462 17.919 -4.898 749 1HB LYS 104 2HB LYS 104 5.369 16.716 -4.847 750 2HB LYS 104 1HB LYS 104 4.538 18.081 -4.109 751 1HG LYS 104 2HG LYS 104 4.524 19.332 -6.099 752 2HG LYS 104 1HG LYS 104 5.875 18.426 -6.789 753 1HD LYS 104 2HD LYS 104 4.422 16.423 -6.974 754 2HD LYS 104 1HD LYS 104 3.073 17.354 -6.329 755 1HE LYS 104 2HE LYS 104 4.503 17.719 -8.962 756 2HE LYS 104 1HE LYS 104 2.784 17.444 -8.681 757 1HZ LYS 104 1HZ LYS 104 2.640 19.645 -8.865 758 2HZ LYS 104 2HZ LYS 104 4.297 19.896 -8.581 759 3HZ LYS 104 3HZ LYS 104 3.230 19.680 -7.277 760 H GLY 105 H GLY 105 4.721 19.933 -4.188 761 1HA GLY 105 2HA GLY 105 6.259 22.340 -4.980 762 2HA GLY 105 1HA GLY 105 4.500 22.217 -4.833 763 H GLY 106 H GLY 106 6.341 20.767 -2.347 764 1HA GLY 106 2HA GLY 106 5.374 22.774 -0.399 765 2HA GLY 106 1HA GLY 106 6.017 21.170 -0.016 Start of MODEL 5 1 1H ALA 1 1HT ALA 1 26.118 -17.325 4.212 2 2H ALA 1 2HT ALA 1 26.897 -18.724 3.646 3 3H ALA 1 3HT ALA 1 25.247 -18.772 4.051 4 HA ALA 1 HA ALA 1 26.434 -17.198 1.832 5 1HB ALA 1 1HB ALA 1 25.533 -18.828 0.352 6 2HB ALA 1 2HB ALA 1 24.576 -19.574 1.633 7 3HB ALA 1 3HB ALA 1 26.330 -19.759 1.619 8 H ASP 2 H ASP 2 24.509 -16.649 0.302 9 HA ASP 2 HA ASP 2 22.554 -15.406 0.000 10 1HB ASP 2 2HB ASP 2 21.638 -17.654 0.879 11 2HB ASP 2 1HB ASP 2 21.449 -16.826 2.426 12 H LEU 3 H LEU 3 24.674 -14.469 1.886 13 HA LEU 3 HA LEU 3 23.166 -12.984 3.937 14 1HB LEU 3 2HB LEU 3 25.786 -11.969 3.952 15 2HB LEU 3 1HB LEU 3 25.174 -13.248 4.989 16 HG LEU 3 HG LEU 3 25.835 -14.917 3.202 17 1HD1 LEU 3 1HD1 LEU 3 27.236 -12.476 2.056 18 2HD1 LEU 3 2HD1 LEU 3 25.928 -13.366 1.277 19 3HD1 LEU 3 3HD1 LEU 3 27.492 -14.135 1.527 20 1HD2 LEU 3 1HD2 LEU 3 27.887 -13.122 4.508 21 2HD2 LEU 3 2HD2 LEU 3 28.320 -14.619 3.684 22 3HD2 LEU 3 3HD2 LEU 3 27.268 -14.667 5.097 23 H GLU 4 H GLU 4 25.676 -11.704 1.745 24 HA GLU 4 HA GLU 4 25.729 -9.719 0.519 25 1HB GLU 4 2HB GLU 4 22.744 -10.065 0.192 26 2HB GLU 4 1HB GLU 4 23.896 -9.356 -0.942 27 1HG GLU 4 2HG GLU 4 24.985 -11.597 -1.168 28 2HG GLU 4 1HG GLU 4 23.724 -12.274 -0.137 29 H ASP 5 H ASP 5 26.113 -7.964 1.825 30 HA ASP 5 HA ASP 5 25.738 -6.242 3.367 31 1HB ASP 5 2HB ASP 5 24.766 -5.203 1.481 32 2HB ASP 5 1HB ASP 5 23.374 -6.275 1.515 33 H ASN 6 H ASN 6 25.546 -7.160 5.417 34 HA ASN 6 HA ASN 6 22.957 -8.346 6.244 35 1HB ASN 6 2HB ASN 6 25.558 -8.058 7.779 36 2HB ASN 6 1HB ASN 6 24.152 -8.999 8.281 37 1HD2 ASN 6 1HD2 ASN 6 26.937 -9.970 7.625 38 2HD2 ASN 6 2HD2 ASN 6 26.728 -11.117 6.391 39 H ASP 7 H ASP 7 22.227 -5.889 5.867 40 HA ASP 7 HA ASP 7 22.721 -4.265 8.314 41 1HB ASP 7 2HB ASP 7 21.471 -3.643 5.629 42 2HB ASP 7 1HB ASP 7 21.384 -2.533 6.996 43 H GLU 8 H GLU 8 21.406 -5.906 9.548 44 HA GLU 8 HA GLU 8 19.386 -6.639 10.490 45 1HB GLU 8 2HB GLU 8 18.501 -3.905 9.520 46 2HB GLU 8 1HB GLU 8 17.644 -4.898 10.697 47 1HG GLU 8 2HG GLU 8 19.388 -4.701 12.299 48 2HG GLU 8 1HG GLU 8 20.525 -4.085 11.099 49 H THR 9 H THR 9 19.944 -7.015 7.521 50 HA THR 9 HA THR 9 17.244 -7.034 6.353 51 HB THR 9 HB THR 9 19.728 -8.211 5.099 52 HG1 THR 9 1HG THR 9 20.195 -6.112 5.951 53 1HG2 THR 9 1HG2 THR 9 17.342 -6.707 4.011 54 2HG2 THR 9 2HG2 THR 9 17.558 -8.456 3.961 55 3HG2 THR 9 3HG2 THR 9 18.641 -7.405 3.049 56 H GLY 10 H GLY 10 17.676 -8.683 8.662 57 1HA GLY 10 2HA GLY 10 16.959 -10.837 9.308 58 2HA GLY 10 1HA GLY 10 16.718 -11.221 7.603 59 H ASN 11 H ASN 11 19.767 -9.944 7.967 60 HA ASN 11 HA ASN 11 21.854 -10.919 7.590 61 1HB ASN 11 2HB ASN 11 22.445 -12.522 9.517 62 2HB ASN 11 1HB ASN 11 21.969 -10.876 9.930 63 1HD2 ASN 11 1HD2 ASN 11 21.093 -14.238 10.255 64 2HD2 ASN 11 2HD2 ASN 11 19.692 -13.989 11.179 65 H ASP 12 H ASP 12 20.271 -13.881 8.807 66 HA ASP 12 HA ASP 12 21.345 -15.317 6.454 67 1HB ASP 12 2HB ASP 12 21.675 -16.282 8.702 68 2HB ASP 12 1HB ASP 12 19.925 -16.360 8.920 69 H ASN 13 H ASN 13 18.620 -13.595 6.998 70 HA ASN 13 HA ASN 13 16.497 -13.579 6.006 71 1HB ASN 13 2HB ASN 13 18.043 -14.023 3.994 72 2HB ASN 13 1HB ASN 13 17.536 -15.706 4.136 73 1HD2 ASN 13 1HD2 ASN 13 16.276 -15.720 2.170 74 2HD2 ASN 13 2HD2 ASN 13 14.838 -14.831 2.012 75 H GLY 14 H GLY 14 16.773 -15.277 8.239 76 1HA GLY 14 2HA GLY 14 15.536 -17.863 7.599 77 2HA GLY 14 1HA GLY 14 15.904 -17.265 9.217 78 H LYS 15 H LYS 15 14.192 -15.161 7.074 79 HA LYS 15 HA LYS 15 12.030 -14.277 7.184 80 1HB LYS 15 2HB LYS 15 11.212 -17.029 8.152 81 2HB LYS 15 1HB LYS 15 10.211 -15.846 7.315 82 1HG LYS 15 2HG LYS 15 12.697 -16.973 6.015 83 2HG LYS 15 1HG LYS 15 11.160 -17.825 5.936 84 1HD LYS 15 2HD LYS 15 10.094 -15.897 4.882 85 2HD LYS 15 1HD LYS 15 11.576 -14.959 5.036 86 1HE LYS 15 2HE LYS 15 11.561 -17.584 3.552 87 2HE LYS 15 1HE LYS 15 11.101 -16.080 2.754 88 1HZ LYS 15 1HZ LYS 15 13.335 -16.096 2.376 89 2HZ LYS 15 2HZ LYS 15 13.702 -16.897 3.829 90 3HZ LYS 15 3HZ LYS 15 13.304 -15.245 3.841 91 H GLY 16 H GLY 16 13.754 -15.050 9.827 92 1HA GLY 16 2HA GLY 16 13.545 -14.502 12.098 93 2HA GLY 16 1HA GLY 16 12.322 -13.342 11.579 94 H GLY 17 H GLY 17 11.558 -16.502 10.600 95 1HA GLY 17 2HA GLY 17 10.085 -18.119 11.472 96 2HA GLY 17 1HA GLY 17 10.275 -17.374 13.059 97 H GLU 18 H GLU 18 9.413 -15.239 10.498 98 HA GLU 18 HA GLU 18 6.767 -14.828 11.743 99 1HB GLU 18 2HB GLU 18 8.347 -13.355 9.630 100 2HB GLU 18 1HB GLU 18 6.658 -12.969 9.960 101 1HG GLU 18 2HG GLU 18 7.137 -12.361 12.221 102 2HG GLU 18 1HG GLU 18 8.758 -13.053 12.138 103 H LYS 19 H LYS 19 7.679 -17.171 9.919 104 HA LYS 19 HA LYS 19 6.711 -18.501 8.262 105 1HB LYS 19 2HB LYS 19 4.782 -18.399 9.802 106 2HB LYS 19 1HB LYS 19 4.251 -16.898 9.062 107 1HG LYS 19 2HG LYS 19 2.890 -18.485 8.009 108 2HG LYS 19 1HG LYS 19 4.182 -18.279 6.841 109 1HD LYS 19 2HD LYS 19 4.107 -20.604 6.960 110 2HD LYS 19 1HD LYS 19 5.297 -20.283 8.214 111 1HE LYS 19 2HE LYS 19 3.721 -21.818 9.156 112 2HE LYS 19 1HE LYS 19 3.371 -20.247 9.875 113 1HZ LYS 19 1HZ LYS 19 1.990 -21.210 7.442 114 2HZ LYS 19 2HZ LYS 19 1.532 -19.946 8.481 115 3HZ LYS 19 3HZ LYS 19 1.416 -21.561 8.997 116 H ALA 20 H ALA 20 4.661 -15.672 7.657 117 HA ALA 20 HA ALA 20 4.610 -14.225 5.828 118 1HB ALA 20 1HB ALA 20 6.627 -13.581 4.936 119 2HB ALA 20 2HB ALA 20 7.055 -15.232 4.496 120 3HB ALA 20 3HB ALA 20 7.306 -14.666 6.143 121 H ASP 21 H ASP 21 5.092 -17.529 5.554 122 HA ASP 21 HA ASP 21 4.490 -19.190 4.083 123 1HB ASP 21 2HB ASP 21 2.350 -18.631 4.931 124 2HB ASP 21 1HB ASP 21 2.275 -17.170 3.958 125 H ASN 22 H ASN 22 5.719 -16.408 2.997 126 HA ASN 22 HA ASN 22 6.533 -15.683 0.957 127 1HB ASN 22 2HB ASN 22 6.473 -18.598 0.912 128 2HB ASN 22 1HB ASN 22 6.194 -17.980 -0.705 129 1HD2 ASN 22 1HD2 ASN 22 7.918 -16.800 -1.723 130 2HD2 ASN 22 2HD2 ASN 22 9.496 -16.794 -1.103 131 H ALA 23 H ALA 23 3.750 -17.815 0.359 132 HA ALA 23 HA ALA 23 2.836 -16.121 -1.859 133 1HB ALA 23 1HB ALA 23 2.639 -18.593 -1.948 134 2HB ALA 23 2HB ALA 23 1.080 -17.792 -2.143 135 3HB ALA 23 3HB ALA 23 1.505 -18.534 -0.600 136 H ALA 24 H ALA 24 1.754 -16.763 1.497 137 HA ALA 24 HA ALA 24 -0.734 -15.316 1.123 138 1HB ALA 24 1HB ALA 24 -1.055 -15.522 3.444 139 2HB ALA 24 2HB ALA 24 0.675 -15.514 3.783 140 3HB ALA 24 3HB ALA 24 -0.075 -16.934 3.050 141 H GLN 25 H GLN 25 2.252 -14.401 2.805 142 HA GLN 25 HA GLN 25 1.596 -11.684 3.213 143 1HB GLN 25 2HB GLN 25 3.825 -11.445 3.892 144 2HB GLN 25 1HB GLN 25 3.525 -13.162 4.109 145 1HG GLN 25 2HG GLN 25 5.512 -13.326 2.956 146 2HG GLN 25 1HG GLN 25 4.425 -13.268 1.574 147 1HE2 GLN 25 1HE2 GLN 25 5.214 -11.826 0.018 148 2HE2 GLN 25 2HE2 GLN 25 6.005 -10.364 0.360 149 H VAL 26 H VAL 26 2.211 -13.281 0.269 150 HA VAL 26 HA VAL 26 3.492 -11.102 -1.098 151 HB VAL 26 HB VAL 26 2.955 -13.761 -1.680 152 1HG1 VAL 26 1HG1 VAL 26 1.847 -13.762 -3.894 153 2HG1 VAL 26 2HG1 VAL 26 1.362 -12.090 -3.643 154 3HG1 VAL 26 3HG1 VAL 26 0.743 -13.368 -2.588 155 1HG2 VAL 26 1HG2 VAL 26 4.128 -13.269 -3.834 156 2HG2 VAL 26 2HG2 VAL 26 4.911 -12.549 -2.427 157 3HG2 VAL 26 3HG2 VAL 26 3.928 -11.553 -3.499 158 H LYS 27 H LYS 27 0.121 -12.277 -1.341 159 HA LYS 27 HA LYS 27 -0.753 -9.932 -2.773 160 1HB LYS 27 2HB LYS 27 -2.208 -12.095 -1.247 161 2HB LYS 27 1HB LYS 27 -3.077 -10.750 -1.987 162 1HG LYS 27 2HG LYS 27 -2.442 -11.370 -4.168 163 2HG LYS 27 1HG LYS 27 -1.112 -12.376 -3.601 164 1HD LYS 27 2HD LYS 27 -2.651 -14.020 -2.711 165 2HD LYS 27 1HD LYS 27 -4.033 -12.983 -3.071 166 1HE LYS 27 2HE LYS 27 -3.525 -13.132 -5.479 167 2HE LYS 27 1HE LYS 27 -2.133 -14.158 -5.124 168 1HZ LYS 27 1HZ LYS 27 -4.450 -15.169 -3.854 169 2HZ LYS 27 2HZ LYS 27 -3.446 -15.917 -5.004 170 3HZ LYS 27 3HZ LYS 27 -4.754 -14.955 -5.507 171 H ASP 28 H ASP 28 -0.841 -10.805 0.675 172 HA ASP 28 HA ASP 28 -2.372 -8.609 1.590 173 1HB ASP 28 2HB ASP 28 -1.667 -10.586 2.963 174 2HB ASP 28 1HB ASP 28 -0.044 -9.904 3.037 175 H ALA 29 H ALA 29 1.065 -8.807 0.761 176 HA ALA 29 HA ALA 29 1.802 -6.250 1.856 177 1HB ALA 29 1HB ALA 29 3.790 -6.471 0.372 178 2HB ALA 29 2HB ALA 29 3.042 -7.881 -0.376 179 3HB ALA 29 3HB ALA 29 3.503 -7.927 1.325 180 H LEU 30 H LEU 30 0.919 -7.290 -1.432 181 HA LEU 30 HA LEU 30 1.187 -4.757 -2.621 182 1HB LEU 30 2HB LEU 30 -0.838 -6.880 -3.305 183 2HB LEU 30 1HB LEU 30 -0.202 -5.658 -4.392 184 HG LEU 30 HG LEU 30 1.414 -7.832 -3.056 185 1HD1 LEU 30 1HD1 LEU 30 0.147 -8.851 -4.775 186 2HD1 LEU 30 2HD1 LEU 30 1.705 -8.505 -5.527 187 3HD1 LEU 30 3HD1 LEU 30 0.323 -7.454 -5.833 188 1HD2 LEU 30 1HD2 LEU 30 2.953 -6.092 -3.321 189 2HD2 LEU 30 2HD2 LEU 30 2.156 -5.469 -4.764 190 3HD2 LEU 30 3HD2 LEU 30 3.121 -6.943 -4.855 191 H THR 31 H THR 31 -1.827 -6.276 -1.404 192 HA THR 31 HA THR 31 -3.394 -3.944 -1.763 193 HB THR 31 HB THR 31 -4.204 -6.298 -1.326 194 HG1 THR 31 1HG THR 31 -5.345 -4.180 0.157 195 1HG2 THR 31 1HG2 THR 31 -4.069 -5.460 1.565 196 2HG2 THR 31 2HG2 THR 31 -2.851 -6.490 0.822 197 3HG2 THR 31 3HG2 THR 31 -4.522 -7.034 0.914 198 H LYS 32 H LYS 32 -1.231 -4.860 0.843 199 HA LYS 32 HA LYS 32 -2.219 -3.092 2.844 200 1HB LYS 32 2HB LYS 32 -0.469 -4.728 3.358 201 2HB LYS 32 1HB LYS 32 0.632 -3.953 2.225 202 1HG LYS 32 2HG LYS 32 -0.483 -2.155 4.335 203 2HG LYS 32 1HG LYS 32 0.596 -3.417 4.919 204 1HD LYS 32 2HD LYS 32 2.324 -2.692 3.300 205 2HD LYS 32 1HD LYS 32 1.258 -1.400 2.748 206 1HE LYS 32 2HE LYS 32 2.333 -1.742 5.564 207 2HE LYS 32 1HE LYS 32 2.836 -0.517 4.400 208 1HZ LYS 32 1HZ LYS 32 1.266 0.496 5.808 209 2HZ LYS 32 2HZ LYS 32 0.189 -0.813 5.692 210 3HZ LYS 32 3HZ LYS 32 0.451 0.198 4.351 211 H MET 33 H MET 33 0.205 -2.634 0.286 212 HA MET 33 HA MET 33 0.527 0.191 0.781 213 1HB MET 33 2HB MET 33 1.035 -1.321 -1.797 214 2HB MET 33 1HB MET 33 1.723 0.239 -1.340 215 1HG MET 33 2HG MET 33 2.603 -1.059 0.768 216 2HG MET 33 1HG MET 33 2.324 -2.494 -0.222 217 1HE MET 33 1HE MET 33 4.087 -3.412 -1.840 218 2HE MET 33 2HE MET 33 4.640 -2.327 -3.115 219 3HE MET 33 3HE MET 33 2.921 -2.444 -2.754 220 H ARG 34 H ARG 34 -1.567 -1.660 -1.491 221 HA ARG 34 HA ARG 34 -2.598 0.600 -2.905 222 1HB ARG 34 2HB ARG 34 -3.077 -1.766 -3.551 223 2HB ARG 34 1HB ARG 34 -4.129 -1.893 -2.148 224 1HG ARG 34 2HG ARG 34 -5.669 -0.341 -2.982 225 2HG ARG 34 1HG ARG 34 -4.536 0.284 -4.184 226 1HD ARG 34 2HD ARG 34 -4.646 -1.795 -5.445 227 2HD ARG 34 1HD ARG 34 -5.643 -2.539 -4.198 228 HE ARG 34 HE ARG 34 -6.848 -0.120 -5.275 229 1HH1 ARG 34 1HH2 ARG 34 -6.270 -3.490 -5.721 230 2HH1 ARG 34 2HH2 ARG 34 -7.693 -3.747 -6.676 231 1HH2 ARG 34 1HH1 ARG 34 -8.717 -0.440 -6.533 232 2HH2 ARG 34 2HH1 ARG 34 -9.072 -2.024 -7.137 233 H ALA 35 H ALA 35 -4.273 -1.182 -0.313 234 HA ALA 35 HA ALA 35 -6.282 0.746 0.137 235 1HB ALA 35 1HB ALA 35 -6.643 -0.356 2.287 236 2HB ALA 35 2HB ALA 35 -5.040 -1.089 2.208 237 3HB ALA 35 3HB ALA 35 -6.288 -1.572 1.060 238 H ALA 36 H ALA 36 -2.941 0.707 1.261 239 HA ALA 36 HA ALA 36 -3.225 2.614 3.376 240 1HB ALA 36 1HB ALA 36 -1.118 1.400 3.029 241 2HB ALA 36 2HB ALA 36 -0.835 3.140 2.961 242 3HB ALA 36 3HB ALA 36 -0.900 2.201 1.470 243 H ALA 37 H ALA 37 -2.726 2.986 -0.128 244 HA ALA 37 HA ALA 37 -2.553 5.837 -0.142 245 1HB ALA 37 1HB ALA 37 -3.570 3.895 -2.237 246 2HB ALA 37 2HB ALA 37 -1.943 4.563 -2.117 247 3HB ALA 37 3HB ALA 37 -3.298 5.612 -2.535 248 H LEU 38 H LEU 38 -5.350 3.642 -0.523 249 HA LEU 38 HA LEU 38 -7.297 5.725 -0.826 250 1HB LEU 38 2HB LEU 38 -7.807 3.031 0.447 251 2HB LEU 38 1HB LEU 38 -8.946 4.041 -0.444 252 HG LEU 38 HG LEU 38 -6.496 2.672 -1.596 253 1HD1 LEU 38 1HD1 LEU 38 -8.259 1.426 -2.899 254 2HD1 LEU 38 2HD1 LEU 38 -9.473 2.171 -1.858 255 3HD1 LEU 38 3HD1 LEU 38 -8.267 1.087 -1.168 256 1HD2 LEU 38 1HD2 LEU 38 -7.771 3.479 -3.777 257 2HD2 LEU 38 2HD2 LEU 38 -6.703 4.590 -2.923 258 3HD2 LEU 38 3HD2 LEU 38 -8.448 4.693 -2.692 259 H ASP 39 H ASP 39 -5.869 4.182 2.013 260 HA ASP 39 HA ASP 39 -7.735 5.230 3.913 261 1HB ASP 39 2HB ASP 39 -5.821 3.468 4.247 262 2HB ASP 39 1HB ASP 39 -4.803 4.876 4.556 263 H ALA 40 H ALA 40 -4.434 6.446 3.208 264 HA ALA 40 HA ALA 40 -4.903 8.917 4.547 265 1HB ALA 40 1HB ALA 40 -2.828 9.634 3.661 266 2HB ALA 40 2HB ALA 40 -2.998 8.626 2.223 267 3HB ALA 40 3HB ALA 40 -2.658 7.885 3.788 268 H GLN 41 H GLN 41 -6.235 7.766 1.682 269 HA GLN 41 HA GLN 41 -6.316 10.254 0.201 270 1HB GLN 41 2HB GLN 41 -6.595 8.054 -0.913 271 2HB GLN 41 1HB GLN 41 -8.121 7.836 -0.071 272 1HG GLN 41 2HG GLN 41 -9.061 9.805 -1.152 273 2HG GLN 41 1HG GLN 41 -7.518 10.141 -1.935 274 1HE2 GLN 41 1HE2 GLN 41 -9.677 7.249 -1.584 275 2HE2 GLN 41 2HE2 GLN 41 -9.587 6.812 -3.221 276 H LYS 42 H LYS 42 -7.032 11.666 1.911 277 HA LYS 42 HA LYS 42 -8.665 12.903 3.062 278 1HB LYS 42 2HB LYS 42 -10.620 11.922 0.983 279 2HB LYS 42 1HB LYS 42 -10.502 13.517 1.727 280 1HG LYS 42 2HG LYS 42 -8.500 12.317 -0.220 281 2HG LYS 42 1HG LYS 42 -9.666 13.585 -0.591 282 1HD LYS 42 2HD LYS 42 -8.589 14.926 1.311 283 2HD LYS 42 1HD LYS 42 -7.288 13.739 1.270 284 1HE LYS 42 2HE LYS 42 -6.564 15.484 -0.170 285 2HE LYS 42 1HE LYS 42 -7.143 14.214 -1.248 286 1HZ LYS 42 1HZ LYS 42 -8.997 16.299 -0.320 287 2HZ LYS 42 2HZ LYS 42 -9.043 15.375 -1.746 288 3HZ LYS 42 3HZ LYS 42 -7.924 16.644 -1.586 289 H ALA 43 H ALA 43 -8.329 10.391 4.221 290 HA ALA 43 HA ALA 43 -11.114 9.858 5.188 291 1HB ALA 43 1HB ALA 43 -11.002 7.560 4.895 292 2HB ALA 43 2HB ALA 43 -9.243 7.522 4.987 293 3HB ALA 43 3HB ALA 43 -10.034 8.073 3.513 294 H THR 44 H THR 44 -7.654 9.220 5.778 295 HA THR 44 HA THR 44 -8.097 9.852 8.663 296 HB THR 44 HB THR 44 -6.145 7.757 7.677 297 HG1 THR 44 1HG THR 44 -8.400 7.256 7.214 298 1HG2 THR 44 1HG2 THR 44 -7.413 8.280 10.381 299 2HG2 THR 44 2HG2 THR 44 -5.784 8.769 9.914 300 3HG2 THR 44 3HG2 THR 44 -6.193 7.058 10.024 301 HA PRO 45 HA PRO 45 -5.148 12.568 5.914 302 1HB PRO 45 2HB PRO 45 -6.193 14.093 8.290 303 2HB PRO 45 1HB PRO 45 -5.774 14.696 6.672 304 1HG PRO 45 2HG PRO 45 -8.320 14.105 7.406 305 2HG PRO 45 1HG PRO 45 -7.734 13.947 5.741 306 1HD PRO 45 2HD PRO 45 -8.554 11.819 7.566 307 2HD PRO 45 1HD PRO 45 -8.099 11.683 5.855 308 HA PRO 46 HA PRO 46 -2.230 11.511 9.338 309 1HB PRO 46 2HB PRO 46 -0.567 9.871 7.850 310 2HB PRO 46 1HB PRO 46 -2.006 9.305 8.717 311 1HG PRO 46 2HG PRO 46 -1.583 9.482 5.850 312 2HG PRO 46 1HG PRO 46 -2.940 8.765 6.731 313 1HD PRO 46 2HD PRO 46 -2.767 11.427 5.453 314 2HD PRO 46 1HD PRO 46 -4.199 10.527 5.984 315 H LYS 47 H LYS 47 -0.640 11.495 6.133 316 HA LYS 47 HA LYS 47 1.381 13.383 7.101 317 1HB LYS 47 2HB LYS 47 1.019 12.505 4.230 318 2HB LYS 47 1HB LYS 47 2.497 13.008 5.046 319 1HG LYS 47 2HG LYS 47 2.184 10.985 6.577 320 2HG LYS 47 1HG LYS 47 0.945 10.447 5.447 321 1HD LYS 47 2HD LYS 47 2.828 9.358 4.599 322 2HD LYS 47 1HD LYS 47 2.813 10.828 3.628 323 1HE LYS 47 2HE LYS 47 4.499 11.851 5.051 324 2HE LYS 47 1HE LYS 47 4.422 10.502 6.183 325 1HZ LYS 47 1HZ LYS 47 6.249 10.592 4.349 326 2HZ LYS 47 2HZ LYS 47 5.020 9.955 3.365 327 3HZ LYS 47 3HZ LYS 47 5.517 9.118 4.758 328 H LEU 48 H LEU 48 -1.683 13.581 5.628 329 HA LEU 48 HA LEU 48 -1.239 16.095 4.214 330 1HB LEU 48 2HB LEU 48 -3.856 14.895 5.207 331 2HB LEU 48 1HB LEU 48 -3.680 16.151 3.982 332 HG LEU 48 HG LEU 48 -2.709 13.279 3.756 333 1HD1 LEU 48 1HD1 LEU 48 -4.934 14.816 2.393 334 2HD1 LEU 48 2HD1 LEU 48 -5.100 13.413 3.445 335 3HD1 LEU 48 3HD1 LEU 48 -4.363 13.235 1.853 336 1HD2 LEU 48 1HD2 LEU 48 -2.317 14.111 1.307 337 2HD2 LEU 48 2HD2 LEU 48 -1.115 14.502 2.533 338 3HD2 LEU 48 3HD2 LEU 48 -2.290 15.719 2.032 339 H GLU 49 H GLU 49 -2.824 15.116 7.232 340 HA GLU 49 HA GLU 49 -3.047 16.197 9.282 341 1HB GLU 49 2HB GLU 49 -0.491 16.636 8.496 342 2HB GLU 49 1HB GLU 49 -1.045 18.305 8.566 343 1HG GLU 49 2HG GLU 49 -1.295 16.294 10.828 344 2HG GLU 49 1HG GLU 49 -0.064 17.550 10.722 345 H ASP 50 H ASP 50 -4.490 17.109 6.819 346 HA ASP 50 HA ASP 50 -6.311 18.600 6.643 347 1HB ASP 50 2HB ASP 50 -5.791 19.174 9.175 348 2HB ASP 50 1HB ASP 50 -5.038 20.612 8.488 349 H LYS 51 H LYS 51 -4.317 18.401 4.872 350 HA LYS 51 HA LYS 51 -3.507 21.204 4.190 351 1HB LYS 51 2HB LYS 51 -2.438 18.471 3.517 352 2HB LYS 51 1HB LYS 51 -2.124 19.816 2.416 353 1HG LYS 51 2HG LYS 51 -1.028 21.075 4.149 354 2HG LYS 51 1HG LYS 51 -1.514 19.902 5.380 355 1HD LYS 51 2HD LYS 51 -0.166 18.165 4.202 356 2HD LYS 51 1HD LYS 51 0.364 19.390 3.050 357 1HE LYS 51 2HE LYS 51 2.079 19.166 4.748 358 2HE LYS 51 1HE LYS 51 1.273 20.717 4.981 359 1HZ LYS 51 1HZ LYS 51 0.458 18.260 6.420 360 2HZ LYS 51 2HZ LYS 51 0.032 19.868 6.768 361 3HZ LYS 51 3HZ LYS 51 1.622 19.332 7.032 362 H SER 52 H SER 52 -5.428 18.430 3.159 363 HA SER 52 HA SER 52 -6.896 18.234 1.287 364 1HB SER 52 2HB SER 52 -7.496 20.372 2.910 365 2HB SER 52 1HB SER 52 -7.386 21.169 1.347 366 HG SER 52 HG SER 52 -9.001 18.950 2.080 367 HA PRO 53 HA PRO 53 -5.222 19.613 -2.603 368 1HB PRO 53 2HB PRO 53 -7.435 21.574 -3.115 369 2HB PRO 53 1HB PRO 53 -6.875 20.223 -4.123 370 1HG PRO 53 2HG PRO 53 -9.127 19.992 -2.789 371 2HG PRO 53 1HG PRO 53 -7.981 18.635 -2.820 372 1HD PRO 53 2HD PRO 53 -8.440 20.633 -0.620 373 2HD PRO 53 1HD PRO 53 -8.251 18.862 -0.520 374 H ASP 54 H ASP 54 -4.463 21.170 -0.236 375 HA ASP 54 HA ASP 54 -4.002 23.900 -1.280 376 1HB ASP 54 2HB ASP 54 -4.857 23.457 1.115 377 2HB ASP 54 1HB ASP 54 -3.240 22.836 1.462 378 H SER 55 H SER 55 -2.183 23.950 -2.507 379 HA SER 55 HA SER 55 0.134 23.900 -2.910 380 1HB SER 55 2HB SER 55 0.669 21.867 -0.771 381 2HB SER 55 1HB SER 55 1.618 23.282 -1.231 382 HG SER 55 HG SER 55 0.672 24.285 0.318 383 HA PRO 56 HA PRO 56 0.705 20.277 -5.426 384 1HB PRO 56 2HB PRO 56 2.790 18.973 -3.710 385 2HB PRO 56 1HB PRO 56 2.826 19.347 -5.447 386 1HG PRO 56 2HG PRO 56 4.188 20.828 -3.739 387 2HG PRO 56 1HG PRO 56 3.310 21.584 -5.084 388 1HD PRO 56 2HD PRO 56 2.555 21.445 -2.179 389 2HD PRO 56 1HD PRO 56 2.386 22.795 -3.330 390 H GLU 57 H GLU 57 -0.387 19.794 -2.267 391 HA GLU 57 HA GLU 57 -0.508 17.011 -1.926 392 1HB GLU 57 2HB GLU 57 -1.485 18.365 -0.201 393 2HB GLU 57 1HB GLU 57 -2.605 19.122 -1.334 394 1HG GLU 57 2HG GLU 57 -3.898 17.129 -1.558 395 2HG GLU 57 1HG GLU 57 -2.640 16.139 -0.821 396 H MET 58 H MET 58 -2.793 19.040 -3.762 397 HA MET 58 HA MET 58 -4.514 17.047 -4.719 398 1HB MET 58 2HB MET 58 -4.876 19.455 -5.054 399 2HB MET 58 1HB MET 58 -3.510 19.524 -6.159 400 1HG MET 58 2HG MET 58 -5.570 17.485 -6.843 401 2HG MET 58 1HG MET 58 -6.095 19.159 -6.979 402 1HE MET 58 1HE MET 58 -5.475 18.970 -10.621 403 2HE MET 58 2HE MET 58 -6.284 19.832 -9.312 404 3HE MET 58 3HE MET 58 -6.474 18.085 -9.459 405 H LYS 59 H LYS 59 -1.592 18.281 -6.479 406 HA LYS 59 HA LYS 59 -1.823 16.237 -8.485 407 1HB LYS 59 2HB LYS 59 0.852 17.434 -7.823 408 2HB LYS 59 1HB LYS 59 0.142 17.072 -9.392 409 1HG LYS 59 2HG LYS 59 -1.508 18.924 -8.991 410 2HG LYS 59 1HG LYS 59 -0.620 19.323 -7.522 411 1HD LYS 59 2HD LYS 59 0.307 20.756 -9.150 412 2HD LYS 59 1HD LYS 59 1.469 19.440 -8.988 413 1HE LYS 59 2HE LYS 59 0.885 18.493 -11.054 414 2HE LYS 59 1HE LYS 59 -0.691 19.272 -11.083 415 1HZ LYS 59 1HZ LYS 59 1.918 20.317 -11.831 416 2HZ LYS 59 2HZ LYS 59 0.863 21.403 -11.061 417 3HZ LYS 59 3HZ LYS 59 0.393 20.630 -12.500 418 H ASP 60 H ASP 60 0.434 16.502 -5.696 419 HA ASP 60 HA ASP 60 1.657 13.972 -6.067 420 1HB ASP 60 2HB ASP 60 2.427 15.600 -4.316 421 2HB ASP 60 1HB ASP 60 0.982 15.199 -3.379 422 H PHE 61 H PHE 61 -1.482 14.817 -4.729 423 HA PHE 61 HA PHE 61 -2.004 12.199 -3.642 424 1HB PHE 61 2HB PHE 61 -3.417 13.878 -2.786 425 2HB PHE 61 1HB PHE 61 -3.675 14.601 -4.367 426 HD1 PHE 61 1HD PHE 61 -6.065 14.662 -4.200 427 HD2 PHE 61 2HD PHE 61 -3.945 10.957 -3.759 428 HE1 PHE 61 1HE PHE 61 -8.189 13.429 -4.415 429 HE2 PHE 61 2HE PHE 61 -6.069 9.708 -3.994 430 HZ PHE 61 HZ PHE 61 -8.201 10.945 -4.318 431 H ARG 62 H ARG 62 -2.900 13.909 -6.613 432 HA ARG 62 HA ARG 62 -4.071 11.659 -7.896 433 1HB ARG 62 2HB ARG 62 -2.793 14.160 -9.027 434 2HB ARG 62 1HB ARG 62 -3.693 12.997 -9.996 435 1HG ARG 62 2HG ARG 62 -5.196 13.834 -7.591 436 2HG ARG 62 1HG ARG 62 -4.789 15.196 -8.626 437 1HD ARG 62 2HD ARG 62 -5.853 14.153 -10.533 438 2HD ARG 62 1HD ARG 62 -6.101 12.654 -9.635 439 HE ARG 62 HE ARG 62 -7.362 14.857 -8.271 440 1HH1 ARG 62 1HH2 ARG 62 -7.585 12.763 -11.007 441 2HH1 ARG 62 2HH2 ARG 62 -9.312 12.846 -11.098 442 1HH2 ARG 62 1HH1 ARG 62 -9.629 14.974 -8.381 443 2HH2 ARG 62 2HH1 ARG 62 -10.465 14.093 -9.616 444 H HIS 63 H HIS 63 -0.860 13.156 -8.492 445 HA HIS 63 HA HIS 63 0.090 10.988 -10.102 446 1HB HIS 63 2HB HIS 63 0.980 13.454 -9.757 447 2HB HIS 63 1HB HIS 63 1.962 12.721 -8.492 448 HD1 HIS 63 1HD HIS 63 4.231 12.252 -9.409 449 HD2 HIS 63 2HD HIS 63 1.262 11.491 -12.237 450 HE1 HIS 63 1HE HIS 63 5.414 11.390 -11.474 451 H GLY 64 H GLY 64 0.099 11.496 -6.605 452 1HA GLY 64 2HA GLY 64 2.069 9.434 -6.066 453 2HA GLY 64 1HA GLY 64 1.016 10.174 -4.865 454 H PHE 65 H PHE 65 -1.502 9.460 -5.570 455 HA PHE 65 HA PHE 65 -1.551 6.662 -4.917 456 1HB PHE 65 2HB PHE 65 -3.753 7.013 -4.426 457 2HB PHE 65 1HB PHE 65 -3.383 8.709 -4.679 458 HD1 PHE 65 1HD PHE 65 -4.633 9.916 -6.270 459 HD2 PHE 65 2HD PHE 65 -4.445 5.641 -6.556 460 HE1 PHE 65 1HE PHE 65 -6.276 9.977 -8.113 461 HE2 PHE 65 2HE PHE 65 -6.091 5.695 -8.408 462 HZ PHE 65 HZ PHE 65 -7.009 7.864 -9.189 463 H ASP 66 H ASP 66 -1.604 8.373 -7.963 464 HA ASP 66 HA ASP 66 -2.643 6.184 -9.544 465 1HB ASP 66 2HB ASP 66 -2.531 8.561 -10.333 466 2HB ASP 66 1HB ASP 66 -0.776 8.411 -10.411 467 H ILE 67 H ILE 67 0.653 7.300 -8.810 468 HA ILE 67 HA ILE 67 1.975 5.251 -10.289 469 HB ILE 67 HB ILE 67 2.863 6.852 -7.878 470 1HG1 ILE 67 2HG1 ILE 67 3.639 7.086 -10.795 471 2HG1 ILE 67 1HG1 ILE 67 2.290 7.985 -10.092 472 1HG2 ILE 67 1HG2 ILE 67 5.193 6.142 -8.925 473 2HG2 ILE 67 2HG2 ILE 67 4.276 4.766 -9.535 474 3HG2 ILE 67 3HG2 ILE 67 4.367 5.064 -7.802 475 1HD1 ILE 67 1HD1 ILE 67 4.477 9.253 -10.122 476 2HD1 ILE 67 2HD1 ILE 67 5.119 8.061 -8.996 477 3HD1 ILE 67 3HD1 ILE 67 3.765 9.085 -8.518 478 H LEU 68 H LEU 68 1.255 5.396 -6.770 479 HA LEU 68 HA LEU 68 2.227 2.822 -6.142 480 1HB LEU 68 2HB LEU 68 0.493 4.805 -4.855 481 2HB LEU 68 1HB LEU 68 -0.095 3.178 -4.521 482 HG LEU 68 HG LEU 68 2.343 2.604 -3.884 483 1HD1 LEU 68 1HD1 LEU 68 2.492 5.629 -3.709 484 2HD1 LEU 68 2HD1 LEU 68 3.305 4.665 -4.942 485 3HD1 LEU 68 3HD1 LEU 68 3.751 4.483 -3.245 486 1HD2 LEU 68 1HD2 LEU 68 0.632 2.813 -2.205 487 2HD2 LEU 68 2HD2 LEU 68 0.680 4.573 -2.298 488 3HD2 LEU 68 3HD2 LEU 68 2.054 3.687 -1.634 489 H VAL 69 H VAL 69 -1.080 3.746 -7.144 490 HA VAL 69 HA VAL 69 -2.117 1.086 -7.180 491 HB VAL 69 HB VAL 69 -2.854 3.701 -8.476 492 1HG1 VAL 69 1HG1 VAL 69 -3.339 2.300 -10.324 493 2HG1 VAL 69 2HG1 VAL 69 -4.872 2.506 -9.478 494 3HG1 VAL 69 3HG1 VAL 69 -3.955 1.011 -9.287 495 1HG2 VAL 69 1HG2 VAL 69 -4.431 1.719 -6.810 496 2HG2 VAL 69 2HG2 VAL 69 -4.922 3.359 -7.227 497 3HG2 VAL 69 3HG2 VAL 69 -3.549 3.097 -6.152 498 H GLY 70 H GLY 70 -0.315 2.944 -9.595 499 1HA GLY 70 2HA GLY 70 -0.612 1.104 -11.765 500 2HA GLY 70 1HA GLY 70 0.654 2.315 -11.627 501 H GLN 71 H GLN 71 2.121 1.436 -9.432 502 HA GLN 71 HA GLN 71 3.475 -0.872 -10.600 503 1HB GLN 71 2HB GLN 71 4.681 -0.470 -8.105 504 2HB GLN 71 1HB GLN 71 5.180 0.310 -9.604 505 1HG GLN 71 2HG GLN 71 3.916 2.252 -9.147 506 2HG GLN 71 1HG GLN 71 2.991 1.450 -7.874 507 1HE2 GLN 71 1HE2 GLN 71 3.819 3.512 -6.676 508 2HE2 GLN 71 2HE2 GLN 71 5.323 3.364 -5.892 509 H ILE 72 H ILE 72 1.433 -0.302 -7.791 510 HA ILE 72 HA ILE 72 1.811 -2.849 -6.563 511 HB ILE 72 HB ILE 72 -0.568 -0.984 -6.633 512 1HG1 ILE 72 2HG1 ILE 72 1.384 -1.491 -4.370 513 2HG1 ILE 72 1HG1 ILE 72 1.702 -0.269 -5.605 514 1HG2 ILE 72 1HG2 ILE 72 -0.069 -3.557 -5.166 515 2HG2 ILE 72 2HG2 ILE 72 -1.537 -3.014 -5.973 516 3HG2 ILE 72 3HG2 ILE 72 -1.063 -2.315 -4.428 517 1HD1 ILE 72 1HD1 ILE 72 -0.679 0.619 -5.013 518 2HD1 ILE 72 2HD1 ILE 72 0.631 0.937 -3.880 519 3HD1 ILE 72 3HD1 ILE 72 -0.513 -0.363 -3.556 520 H ASP 73 H ASP 73 -0.294 -1.722 -9.168 521 HA ASP 73 HA ASP 73 -1.780 -4.183 -9.429 522 1HB ASP 73 2HB ASP 73 -2.570 -2.025 -10.371 523 2HB ASP 73 1HB ASP 73 -1.216 -2.040 -11.505 524 H ASP 74 H ASP 74 1.092 -2.845 -11.099 525 HA ASP 74 HA ASP 74 1.446 -5.080 -12.858 526 1HB ASP 74 2HB ASP 74 3.732 -3.441 -11.789 527 2HB ASP 74 1HB ASP 74 3.539 -4.149 -13.392 528 H ALA 75 H ALA 75 2.437 -4.493 -9.538 529 HA ALA 75 HA ALA 75 4.298 -6.684 -9.386 530 1HB ALA 75 1HB ALA 75 2.827 -5.576 -7.000 531 2HB ALA 75 2HB ALA 75 4.026 -4.595 -7.841 532 3HB ALA 75 3HB ALA 75 4.496 -6.131 -7.114 533 H LEU 76 H LEU 76 0.820 -6.421 -8.957 534 HA LEU 76 HA LEU 76 0.536 -8.935 -7.553 535 1HB LEU 76 2HB LEU 76 -1.186 -7.098 -7.550 536 2HB LEU 76 1HB LEU 76 -1.531 -7.464 -9.234 537 HG LEU 76 HG LEU 76 -1.625 -9.800 -7.359 538 1HD1 LEU 76 1HD1 LEU 76 -3.791 -7.676 -7.360 539 2HD1 LEU 76 2HD1 LEU 76 -2.715 -8.036 -6.010 540 3HD1 LEU 76 3HD1 LEU 76 -3.877 -9.244 -6.557 541 1HD2 LEU 76 1HD2 LEU 76 -3.661 -10.302 -8.726 542 2HD2 LEU 76 2HD2 LEU 76 -2.222 -10.090 -9.719 543 3HD2 LEU 76 3HD2 LEU 76 -3.411 -8.795 -9.604 544 H LYS 77 H LYS 77 -0.063 -8.008 -10.970 545 HA LYS 77 HA LYS 77 -0.721 -10.607 -11.882 546 1HB LYS 77 2HB LYS 77 0.176 -9.833 -14.127 547 2HB LYS 77 1HB LYS 77 -1.031 -8.768 -13.408 548 1HG LYS 77 2HG LYS 77 0.652 -7.219 -12.675 549 2HG LYS 77 1HG LYS 77 1.949 -8.330 -13.065 550 1HD LYS 77 2HD LYS 77 0.078 -7.066 -15.067 551 2HD LYS 77 1HD LYS 77 1.723 -6.548 -14.733 552 1HE LYS 77 2HE LYS 77 2.217 -7.935 -16.503 553 2HE LYS 77 1HE LYS 77 2.179 -9.190 -15.261 554 1HZ LYS 77 1HZ LYS 77 0.593 -10.106 -16.499 555 2HZ LYS 77 2HZ LYS 77 0.376 -8.706 -17.436 556 3HZ LYS 77 3HZ LYS 77 -0.434 -8.869 -15.952 557 H LEU 78 H LEU 78 2.397 -9.034 -11.414 558 HA LEU 78 HA LEU 78 4.037 -11.083 -12.478 559 1HB LEU 78 2HB LEU 78 4.560 -8.641 -11.475 560 2HB LEU 78 1HB LEU 78 4.927 -9.577 -10.034 561 HG LEU 78 HG LEU 78 6.972 -9.306 -11.287 562 1HD1 LEU 78 1HD1 LEU 78 7.656 -11.572 -11.442 563 2HD1 LEU 78 2HD1 LEU 78 6.042 -12.119 -11.898 564 3HD1 LEU 78 3HD1 LEU 78 6.357 -11.568 -10.253 565 1HD2 LEU 78 1HD2 LEU 78 7.202 -9.520 -13.570 566 2HD2 LEU 78 2HD2 LEU 78 5.492 -9.107 -13.546 567 3HD2 LEU 78 3HD2 LEU 78 5.990 -10.793 -13.700 568 H ALA 79 H ALA 79 2.932 -10.518 -9.117 569 HA ALA 79 HA ALA 79 3.991 -12.940 -8.058 570 1HB ALA 79 1HB ALA 79 2.581 -12.585 -6.180 571 2HB ALA 79 2HB ALA 79 1.369 -11.743 -7.147 572 3HB ALA 79 3HB ALA 79 2.910 -10.961 -6.784 573 H ASN 80 H ASN 80 0.901 -12.168 -9.591 574 HA ASN 80 HA ASN 80 -0.309 -14.740 -9.390 575 1HB ASN 80 2HB ASN 80 -1.325 -12.512 -10.218 576 2HB ASN 80 1HB ASN 80 -0.608 -12.910 -11.777 577 1HD2 ASN 80 1HD2 ASN 80 -3.431 -12.756 -11.389 578 2HD2 ASN 80 2HD2 ASN 80 -4.087 -14.306 -11.609 579 H GLU 81 H GLU 81 1.038 -13.351 -12.344 580 HA GLU 81 HA GLU 81 1.551 -15.906 -13.577 581 1HB GLU 81 2HB GLU 81 1.047 -13.567 -14.605 582 2HB GLU 81 1HB GLU 81 2.775 -13.276 -14.422 583 1HG GLU 81 2HG GLU 81 2.481 -14.131 -16.631 584 2HG GLU 81 1HG GLU 81 3.123 -15.480 -15.692 585 H GLY 82 H GLY 82 3.127 -14.813 -10.977 586 1HA GLY 82 2HA GLY 82 5.738 -15.935 -11.889 587 2HA GLY 82 1HA GLY 82 5.730 -14.366 -11.113 588 H LYS 83 H LYS 83 7.164 -16.503 -10.084 589 HA LYS 83 HA LYS 83 5.699 -17.806 -7.921 590 1HB LYS 83 2HB LYS 83 7.915 -18.556 -9.143 591 2HB LYS 83 1HB LYS 83 8.707 -17.492 -7.983 592 1HG LYS 83 2HG LYS 83 7.729 -18.755 -6.122 593 2HG LYS 83 1HG LYS 83 6.835 -19.769 -7.249 594 1HD LYS 83 2HD LYS 83 8.919 -20.638 -8.172 595 2HD LYS 83 1HD LYS 83 9.858 -19.546 -7.154 596 1HE LYS 83 2HE LYS 83 9.898 -21.609 -5.990 597 2HE LYS 83 1HE LYS 83 8.658 -20.672 -5.160 598 1HZ LYS 83 1HZ LYS 83 7.943 -22.424 -7.419 599 2HZ LYS 83 2HZ LYS 83 6.969 -21.879 -6.137 600 3HZ LYS 83 3HZ LYS 83 8.144 -23.077 -5.868 601 H VAL 84 H VAL 84 6.860 -17.396 -5.575 602 HA VAL 84 HA VAL 84 6.289 -14.615 -4.975 603 HB VAL 84 HB VAL 84 7.261 -16.946 -3.308 604 1HG1 VAL 84 1HG1 VAL 84 6.773 -15.412 -1.352 605 2HG1 VAL 84 2HG1 VAL 84 6.707 -14.076 -2.492 606 3HG1 VAL 84 3HG1 VAL 84 8.206 -14.974 -2.266 607 1HG2 VAL 84 1HG2 VAL 84 5.039 -16.990 -2.464 608 2HG2 VAL 84 2HG2 VAL 84 4.859 -16.774 -4.205 609 3HG2 VAL 84 3HG2 VAL 84 4.677 -15.397 -3.120 610 H LYS 85 H LYS 85 9.252 -16.609 -5.158 611 HA LYS 85 HA LYS 85 11.026 -14.639 -4.101 612 1HB LYS 85 2HB LYS 85 11.314 -17.028 -5.894 613 2HB LYS 85 1HB LYS 85 12.656 -15.885 -5.857 614 1HG LYS 85 2HG LYS 85 13.017 -16.202 -3.537 615 2HG LYS 85 1HG LYS 85 11.436 -16.951 -3.307 616 1HD LYS 85 2HD LYS 85 13.221 -18.652 -3.271 617 2HD LYS 85 1HD LYS 85 12.158 -18.892 -4.656 618 1HE LYS 85 2HE LYS 85 13.756 -18.102 -6.183 619 2HE LYS 85 1HE LYS 85 14.646 -17.215 -4.945 620 1HZ LYS 85 1HZ LYS 85 15.387 -19.278 -4.001 621 2HZ LYS 85 2HZ LYS 85 15.774 -19.255 -5.656 622 3HZ LYS 85 3HZ LYS 85 14.457 -20.172 -5.102 623 H GLU 86 H GLU 86 9.936 -15.254 -7.438 624 HA GLU 86 HA GLU 86 11.385 -13.050 -8.593 625 1HB GLU 86 2HB GLU 86 8.821 -14.361 -9.559 626 2HB GLU 86 1HB GLU 86 9.917 -13.371 -10.530 627 1HG GLU 86 2HG GLU 86 10.786 -15.899 -9.116 628 2HG GLU 86 1HG GLU 86 10.232 -15.876 -10.791 629 H ALA 87 H ALA 87 8.169 -13.383 -7.163 630 HA ALA 87 HA ALA 87 7.170 -10.810 -7.928 631 1HB ALA 87 1HB ALA 87 6.387 -12.118 -5.330 632 2HB ALA 87 2HB ALA 87 5.936 -12.846 -6.864 633 3HB ALA 87 3HB ALA 87 5.385 -11.223 -6.473 634 H GLN 88 H GLN 88 8.502 -11.841 -4.758 635 HA GLN 88 HA GLN 88 8.531 -9.235 -3.660 636 1HB GLN 88 2HB GLN 88 9.564 -10.199 -1.836 637 2HB GLN 88 1HB GLN 88 8.991 -11.654 -2.632 638 1HG GLN 88 2HG GLN 88 11.226 -12.148 -2.158 639 2HG GLN 88 1HG GLN 88 11.281 -11.661 -3.843 640 1HE2 GLN 88 1HE2 GLN 88 10.777 -9.040 -1.587 641 2HE2 GLN 88 2HE2 GLN 88 12.363 -8.448 -1.616 642 H ALA 89 H ALA 89 10.804 -10.842 -5.811 643 HA ALA 89 HA ALA 89 12.997 -9.036 -5.529 644 1HB ALA 89 1HB ALA 89 13.811 -9.931 -7.566 645 2HB ALA 89 2HB ALA 89 12.187 -10.268 -8.169 646 3HB ALA 89 3HB ALA 89 12.868 -11.249 -6.871 647 H ALA 90 H ALA 90 10.094 -8.935 -7.576 648 HA ALA 90 HA ALA 90 10.704 -6.583 -9.037 649 1HB ALA 90 1HB ALA 90 8.766 -8.147 -9.466 650 2HB ALA 90 2HB ALA 90 8.329 -6.439 -9.487 651 3HB ALA 90 3HB ALA 90 7.955 -7.426 -8.075 652 H ALA 91 H ALA 91 9.370 -7.058 -5.799 653 HA ALA 91 HA ALA 91 8.611 -4.335 -5.319 654 1HB ALA 91 1HB ALA 91 8.054 -6.465 -3.952 655 2HB ALA 91 2HB ALA 91 8.370 -4.982 -3.052 656 3HB ALA 91 3HB ALA 91 9.619 -6.220 -3.182 657 H GLU 92 H GLU 92 11.652 -6.098 -4.796 658 HA GLU 92 HA GLU 92 13.061 -4.089 -3.375 659 1HB GLU 92 2HB GLU 92 14.272 -6.009 -5.373 660 2HB GLU 92 1HB GLU 92 15.078 -5.242 -4.004 661 1HG GLU 92 2HG GLU 92 13.421 -6.391 -2.497 662 2HG GLU 92 1HG GLU 92 12.857 -7.284 -3.905 663 H GLN 93 H GLN 93 13.070 -4.723 -6.913 664 HA GLN 93 HA GLN 93 14.802 -2.557 -7.548 665 1HB GLN 93 2HB GLN 93 13.644 -2.631 -9.824 666 2HB GLN 93 1HB GLN 93 14.360 -4.144 -9.272 667 1HG GLN 93 2HG GLN 93 12.155 -4.872 -8.433 668 2HG GLN 93 1HG GLN 93 11.439 -3.377 -9.032 669 1HE2 GLN 93 1HE2 GLN 93 10.792 -3.350 -11.207 670 2HE2 GLN 93 2HE2 GLN 93 11.170 -4.563 -12.333 671 H LEU 94 H LEU 94 11.328 -2.637 -6.930 672 HA LEU 94 HA LEU 94 10.895 0.109 -7.768 673 1HB LEU 94 2HB LEU 94 9.312 -1.684 -5.905 674 2HB LEU 94 1HB LEU 94 8.796 -0.073 -6.422 675 HG LEU 94 HG LEU 94 9.441 -2.324 -8.355 676 1HD1 LEU 94 1HD1 LEU 94 6.883 -2.393 -8.581 677 2HD1 LEU 94 2HD1 LEU 94 6.838 -1.513 -7.052 678 3HD1 LEU 94 3HD1 LEU 94 7.569 -3.116 -7.125 679 1HD2 LEU 94 1HD2 LEU 94 7.856 -0.796 -9.786 680 2HD2 LEU 94 2HD2 LEU 94 9.532 -0.308 -9.573 681 3HD2 LEU 94 3HD2 LEU 94 8.266 0.449 -8.606 682 H LYS 95 H LYS 95 12.187 -1.491 -5.011 683 HA LYS 95 HA LYS 95 11.773 0.630 -3.085 684 1HB LYS 95 2HB LYS 95 12.464 -1.906 -2.777 685 2HB LYS 95 1HB LYS 95 14.101 -1.293 -2.978 686 1HG LYS 95 2HG LYS 95 12.097 -0.290 -0.930 687 2HG LYS 95 1HG LYS 95 13.425 -1.403 -0.603 688 1HD LYS 95 2HD LYS 95 14.876 0.542 -1.728 689 2HD LYS 95 1HD LYS 95 13.516 1.533 -1.197 690 1HE LYS 95 2HE LYS 95 15.237 -0.253 0.543 691 2HE LYS 95 1HE LYS 95 15.192 1.512 0.560 692 1HZ LYS 95 1HZ LYS 95 13.817 0.882 2.305 693 2HZ LYS 95 2HZ LYS 95 13.116 -0.397 1.435 694 3HZ LYS 95 3HZ LYS 95 12.724 1.211 1.050 695 H THR 96 H THR 96 14.174 -0.141 -5.529 696 HA THR 96 HA THR 96 16.194 1.694 -4.725 697 HB THR 96 HB THR 96 15.591 1.101 -7.625 698 HG1 THR 96 1HG THR 96 16.315 -0.936 -7.374 699 1HG2 THR 96 1HG2 THR 96 17.536 2.486 -7.092 700 2HG2 THR 96 2HG2 THR 96 18.062 0.916 -7.700 701 3HG2 THR 96 3HG2 THR 96 18.121 1.257 -5.972 702 H THR 97 H THR 97 13.507 2.078 -7.106 703 HA THR 97 HA THR 97 14.011 4.991 -7.152 704 HB THR 97 HB THR 97 13.383 4.273 -9.278 705 HG1 THR 97 1HG THR 97 11.731 5.517 -9.474 706 1HG2 THR 97 1HG2 THR 97 12.857 2.030 -9.186 707 2HG2 THR 97 2HG2 THR 97 11.241 2.698 -9.416 708 3HG2 THR 97 3HG2 THR 97 11.781 2.238 -7.804 709 H GLY 98 H GLY 98 10.846 3.686 -7.319 710 1HA GLY 98 2HA GLY 98 8.934 4.038 -6.000 711 2HA GLY 98 1HA GLY 98 10.012 3.870 -4.613 712 H ARG 99 H ARG 99 8.006 6.057 -6.205 713 HA ARG 99 HA ARG 99 7.705 8.368 -6.015 714 1HB ARG 99 2HB ARG 99 9.061 7.638 -3.410 715 2HB ARG 99 1HB ARG 99 8.698 9.316 -3.781 716 1HG ARG 99 2HG ARG 99 6.837 8.486 -2.532 717 2HG ARG 99 1HG ARG 99 6.296 8.598 -4.204 718 1HD ARG 99 2HD ARG 99 5.653 6.452 -3.045 719 2HD ARG 99 1HD ARG 99 6.583 6.219 -4.522 720 HE ARG 99 HE ARG 99 8.404 6.321 -2.338 721 1HH1 ARG 99 1HH2 ARG 99 5.856 4.414 -3.660 722 2HH1 ARG 99 2HH2 ARG 99 6.462 2.920 -3.027 723 1HH2 ARG 99 1HH1 ARG 99 9.212 4.382 -1.497 724 2HH2 ARG 99 2HH1 ARG 99 8.358 2.903 -1.792 725 H ALA 100 H ALA 100 9.225 10.444 -5.358 726 HA ALA 100 HA ALA 100 12.017 10.091 -6.138 727 1HB ALA 100 1HB ALA 100 10.014 11.325 -8.043 728 2HB ALA 100 2HB ALA 100 11.127 9.994 -8.356 729 3HB ALA 100 3HB ALA 100 11.749 11.632 -8.156 730 H GLY 101 H GLY 101 9.431 12.588 -6.117 731 1HA GLY 101 2HA GLY 101 11.311 14.583 -5.081 732 2HA GLY 101 1HA GLY 101 9.587 14.829 -5.367 733 H ASN 102 H ASN 102 8.084 13.962 -3.771 734 HA ASN 102 HA ASN 102 7.391 13.900 -1.515 735 1HB ASN 102 2HB ASN 102 8.545 11.598 -2.120 736 2HB ASN 102 1HB ASN 102 9.783 12.141 -0.989 737 1HD2 ASN 102 1HD2 ASN 102 8.230 13.440 0.969 738 2HD2 ASN 102 2HD2 ASN 102 7.180 12.320 1.696 739 H GLN 103 H GLN 103 9.576 15.869 -2.326 740 HA GLN 103 HA GLN 103 10.690 16.414 0.404 741 1HB GLN 103 2HB GLN 103 12.355 15.779 -1.405 742 2HB GLN 103 1HB GLN 103 11.850 17.240 -2.267 743 1HG GLN 103 2HG GLN 103 12.386 18.452 0.004 744 2HG GLN 103 1HG GLN 103 13.337 17.007 0.346 745 1HE2 GLN 103 1HE2 GLN 103 12.821 18.915 -2.681 746 2HE2 GLN 103 2HE2 GLN 103 14.473 19.145 -2.993 747 H LYS 104 H LYS 104 9.151 17.675 -2.494 748 HA LYS 104 HA LYS 104 9.214 20.427 -1.460 749 1HB LYS 104 2HB LYS 104 8.574 21.086 -3.598 750 2HB LYS 104 1HB LYS 104 9.372 19.560 -3.966 751 1HG LYS 104 2HG LYS 104 6.998 18.496 -3.713 752 2HG LYS 104 1HG LYS 104 6.413 20.156 -3.844 753 1HD LYS 104 2HD LYS 104 7.594 20.409 -5.997 754 2HD LYS 104 1HD LYS 104 8.178 18.750 -5.872 755 1HE LYS 104 2HE LYS 104 5.637 18.137 -5.637 756 2HE LYS 104 1HE LYS 104 5.368 19.733 -6.342 757 1HZ LYS 104 1HZ LYS 104 5.485 18.364 -8.173 758 2HZ LYS 104 2HZ LYS 104 6.708 17.389 -7.515 759 3HZ LYS 104 3HZ LYS 104 7.073 18.950 -8.076 760 H GLY 105 H GLY 105 6.894 17.832 -1.995 761 1HA GLY 105 2HA GLY 105 4.681 19.453 -0.891 762 2HA GLY 105 1HA GLY 105 4.557 17.846 -1.610 763 H GLY 106 H GLY 106 7.164 17.685 0.365 764 1HA GLY 106 2HA GLY 106 5.561 16.500 2.586 765 2HA GLY 106 1HA GLY 106 7.232 16.090 2.203 Start of MODEL 6 1 1H ALA 1 1HT ALA 1 -4.642 -30.749 -0.453 2 2H ALA 1 2HT ALA 1 -4.347 -29.429 -1.480 3 3H ALA 1 3HT ALA 1 -5.680 -29.409 -0.428 4 HA ALA 1 HA ALA 1 -3.477 -29.842 1.176 5 1HB ALA 1 1HB ALA 1 -3.047 -27.476 -0.663 6 2HB ALA 1 2HB ALA 1 -2.188 -29.005 -0.840 7 3HB ALA 1 3HB ALA 1 -1.977 -28.043 0.623 8 H ASP 2 H ASP 2 -6.308 -29.234 1.192 9 HA ASP 2 HA ASP 2 -6.552 -26.441 2.066 10 1HB ASP 2 2HB ASP 2 -8.444 -28.781 1.862 11 2HB ASP 2 1HB ASP 2 -8.908 -27.316 2.722 12 H LEU 3 H LEU 3 -4.912 -28.635 3.419 13 HA LEU 3 HA LEU 3 -5.574 -27.826 6.161 14 1HB LEU 3 2HB LEU 3 -5.675 -30.115 7.032 15 2HB LEU 3 1HB LEU 3 -6.966 -29.832 5.871 16 HG LEU 3 HG LEU 3 -4.362 -31.056 4.936 17 1HD1 LEU 3 1HD1 LEU 3 -5.256 -33.286 5.392 18 2HD1 LEU 3 2HD1 LEU 3 -6.688 -32.580 6.137 19 3HD1 LEU 3 3HD1 LEU 3 -5.111 -32.380 6.898 20 1HD2 LEU 3 1HD2 LEU 3 -5.955 -32.199 3.355 21 2HD2 LEU 3 2HD2 LEU 3 -5.936 -30.451 3.186 22 3HD2 LEU 3 3HD2 LEU 3 -7.260 -31.236 4.046 23 H GLU 4 H GLU 4 -3.383 -29.216 3.843 24 HA GLU 4 HA GLU 4 -1.059 -29.484 3.876 25 1HB GLU 4 2HB GLU 4 -1.127 -27.564 6.212 26 2HB GLU 4 1HB GLU 4 0.177 -27.798 5.047 27 1HG GLU 4 2HG GLU 4 -1.332 -26.989 3.239 28 2HG GLU 4 1HG GLU 4 -2.574 -26.676 4.452 29 H ASP 5 H ASP 5 0.849 -29.873 5.618 30 HA ASP 5 HA ASP 5 0.025 -32.239 7.109 31 1HB ASP 5 2HB ASP 5 2.459 -32.337 7.712 32 2HB ASP 5 1HB ASP 5 2.179 -32.247 5.972 33 H ASN 6 H ASN 6 -1.463 -30.852 8.551 34 HA ASN 6 HA ASN 6 -0.025 -29.293 10.621 35 1HB ASN 6 2HB ASN 6 -2.978 -29.969 10.551 36 2HB ASN 6 1HB ASN 6 -2.191 -28.670 11.443 37 1HD2 ASN 6 1HD2 ASN 6 -4.134 -27.669 9.957 38 2HD2 ASN 6 2HD2 ASN 6 -3.591 -27.004 8.492 39 H ASP 7 H ASP 7 0.633 -30.238 12.512 40 HA ASP 7 HA ASP 7 -0.835 -32.605 13.542 41 1HB ASP 7 2HB ASP 7 1.050 -33.432 12.094 42 2HB ASP 7 1HB ASP 7 2.175 -32.601 13.169 43 H GLU 8 H GLU 8 -0.761 -29.922 14.506 44 HA GLU 8 HA GLU 8 -0.308 -28.694 16.455 45 1HB GLU 8 2HB GLU 8 -0.132 -31.509 17.569 46 2HB GLU 8 1HB GLU 8 -0.357 -30.041 18.524 47 1HG GLU 8 2HG GLU 8 -2.247 -30.972 16.340 48 2HG GLU 8 1HG GLU 8 -2.508 -31.232 18.065 49 H THR 9 H THR 9 2.024 -29.494 14.781 50 HA THR 9 HA THR 9 4.167 -29.971 16.732 51 HB THR 9 HB THR 9 4.624 -29.248 13.839 52 HG1 THR 9 1HG THR 9 2.819 -30.786 14.113 53 1HG2 THR 9 1HG2 THR 9 5.846 -31.525 15.372 54 2HG2 THR 9 2HG2 THR 9 6.407 -29.879 15.647 55 3HG2 THR 9 3HG2 THR 9 6.525 -30.591 14.040 56 H GLY 10 H GLY 10 2.425 -27.491 16.626 57 1HA GLY 10 2HA GLY 10 2.715 -25.199 17.035 58 2HA GLY 10 1HA GLY 10 4.421 -25.561 17.314 59 H ASN 11 H ASN 11 2.176 -25.504 14.529 60 HA ASN 11 HA ASN 11 4.350 -24.646 12.742 61 1HB ASN 11 2HB ASN 11 2.617 -24.812 10.988 62 2HB ASN 11 1HB ASN 11 2.655 -26.274 11.977 63 1HD2 ASN 11 1HD2 ASN 11 1.016 -23.045 12.061 64 2HD2 ASN 11 2HD2 ASN 11 -0.480 -23.668 12.567 65 H ASP 12 H ASP 12 2.200 -23.102 14.824 66 HA ASP 12 HA ASP 12 2.597 -20.509 13.411 67 1HB ASP 12 2HB ASP 12 0.276 -21.527 13.052 68 2HB ASP 12 1HB ASP 12 0.002 -21.253 14.769 69 H ASN 13 H ASN 13 3.386 -22.188 15.998 70 HA ASN 13 HA ASN 13 2.679 -20.241 18.100 71 1HB ASN 13 2HB ASN 13 4.011 -22.935 18.006 72 2HB ASN 13 1HB ASN 13 4.306 -21.897 19.396 73 1HD2 ASN 13 1HD2 ASN 13 2.289 -21.098 20.565 74 2HD2 ASN 13 2HD2 ASN 13 0.920 -22.102 20.579 75 H GLY 14 H GLY 14 4.627 -19.871 15.695 76 1HA GLY 14 2HA GLY 14 7.159 -19.262 17.069 77 2HA GLY 14 1HA GLY 14 6.836 -19.046 15.349 78 H LYS 15 H LYS 15 4.385 -17.755 17.360 79 HA LYS 15 HA LYS 15 3.710 -15.520 17.663 80 1HB LYS 15 2HB LYS 15 6.679 -15.425 18.265 81 2HB LYS 15 1HB LYS 15 5.662 -13.999 18.413 82 1HG LYS 15 2HG LYS 15 5.446 -14.760 20.580 83 2HG LYS 15 1HG LYS 15 4.158 -15.728 19.877 84 1HD LYS 15 2HD LYS 15 6.053 -17.485 19.436 85 2HD LYS 15 1HD LYS 15 6.962 -16.558 20.628 86 1HE LYS 15 2HE LYS 15 4.973 -16.809 22.190 87 2HE LYS 15 1HE LYS 15 4.304 -17.959 21.034 88 1HZ LYS 15 1HZ LYS 15 5.743 -18.807 22.973 89 2HZ LYS 15 2HZ LYS 15 7.057 -18.287 22.033 90 3HZ LYS 15 3HZ LYS 15 5.991 -19.460 21.425 91 H GLY 16 H GLY 16 3.851 -16.119 15.002 92 1HA GLY 16 2HA GLY 16 5.537 -14.101 13.645 93 2HA GLY 16 1HA GLY 16 4.523 -15.306 12.856 94 H GLY 17 H GLY 17 2.031 -14.897 13.648 95 1HA GLY 17 2HA GLY 17 0.203 -13.387 13.667 96 2HA GLY 17 1HA GLY 17 1.352 -12.055 13.816 97 H GLU 18 H GLU 18 2.826 -13.396 11.452 98 HA GLU 18 HA GLU 18 0.969 -12.893 9.221 99 1HB GLU 18 2HB GLU 18 2.225 -11.143 8.189 100 2HB GLU 18 1HB GLU 18 2.014 -10.649 9.866 101 1HG GLU 18 2HG GLU 18 4.504 -11.908 8.659 102 2HG GLU 18 1HG GLU 18 4.321 -10.243 9.205 103 H LYS 19 H LYS 19 3.546 -14.441 10.650 104 HA LYS 19 HA LYS 19 5.277 -15.842 9.860 105 1HB LYS 19 2HB LYS 19 4.362 -17.815 8.865 106 2HB LYS 19 1HB LYS 19 3.143 -17.173 9.960 107 1HG LYS 19 2HG LYS 19 1.982 -16.123 8.029 108 2HG LYS 19 1HG LYS 19 3.174 -16.825 6.930 109 1HD LYS 19 2HD LYS 19 2.418 -19.015 7.301 110 2HD LYS 19 1HD LYS 19 1.675 -18.612 8.847 111 1HE LYS 19 2HE LYS 19 0.672 -17.559 6.186 112 2HE LYS 19 1HE LYS 19 0.020 -18.991 6.982 113 1HZ LYS 19 1HZ LYS 19 -1.342 -17.491 7.928 114 2HZ LYS 19 2HZ LYS 19 -0.281 -16.186 7.674 115 3HZ LYS 19 3HZ LYS 19 -0.040 -17.240 8.983 116 H ALA 20 H ALA 20 5.396 -17.232 7.387 117 HA ALA 20 HA ALA 20 5.703 -15.173 5.291 118 1HB ALA 20 1HB ALA 20 8.041 -15.533 4.967 119 2HB ALA 20 2HB ALA 20 8.048 -16.941 6.031 120 3HB ALA 20 3HB ALA 20 7.861 -15.324 6.708 121 H ASP 21 H ASP 21 3.820 -16.925 5.063 122 HA ASP 21 HA ASP 21 4.570 -19.547 4.119 123 1HB ASP 21 2HB ASP 21 2.274 -18.818 5.000 124 2HB ASP 21 1HB ASP 21 2.038 -18.036 3.442 125 H ASN 22 H ASN 22 5.331 -16.678 2.922 126 HA ASN 22 HA ASN 22 6.025 -15.901 0.852 127 1HB ASN 22 2HB ASN 22 6.182 -18.843 0.641 128 2HB ASN 22 1HB ASN 22 5.903 -18.077 -0.913 129 1HD2 ASN 22 1HD2 ASN 22 7.534 -16.503 -1.647 130 2HD2 ASN 22 2HD2 ASN 22 9.105 -16.545 -1.017 131 H ALA 23 H ALA 23 3.555 -18.387 0.180 132 HA ALA 23 HA ALA 23 2.245 -16.889 -1.882 133 1HB ALA 23 1HB ALA 23 1.258 -19.103 -0.053 134 2HB ALA 23 2HB ALA 23 1.870 -19.280 -1.698 135 3HB ALA 23 3HB ALA 23 0.326 -18.473 -1.413 136 H ALA 24 H ALA 24 1.750 -17.009 1.656 137 HA ALA 24 HA ALA 24 -0.636 -15.353 1.543 138 1HB ALA 24 1HB ALA 24 -0.404 -15.145 3.933 139 2HB ALA 24 2HB ALA 24 1.309 -15.556 3.866 140 3HB ALA 24 3HB ALA 24 0.091 -16.787 3.535 141 H GLN 25 H GLN 25 2.820 -14.818 1.963 142 HA GLN 25 HA GLN 25 2.765 -12.007 2.398 143 1HB GLN 25 2HB GLN 25 4.760 -14.080 1.675 144 2HB GLN 25 1HB GLN 25 5.200 -12.463 1.141 145 1HG GLN 25 2HG GLN 25 4.254 -12.955 3.970 146 2HG GLN 25 1HG GLN 25 5.930 -13.231 3.519 147 1HE2 GLN 25 1HE2 GLN 25 3.798 -10.613 2.248 148 2HE2 GLN 25 2HE2 GLN 25 4.760 -9.359 2.855 149 H VAL 26 H VAL 26 2.084 -13.791 -0.467 150 HA VAL 26 HA VAL 26 3.039 -11.944 -2.433 151 HB VAL 26 HB VAL 26 0.887 -14.046 -2.429 152 1HG1 VAL 26 1HG1 VAL 26 1.034 -13.599 -5.055 153 2HG1 VAL 26 2HG1 VAL 26 1.388 -11.957 -4.517 154 3HG1 VAL 26 3HG1 VAL 26 -0.126 -12.726 -4.057 155 1HG2 VAL 26 1HG2 VAL 26 2.407 -15.204 -3.893 156 2HG2 VAL 26 2HG2 VAL 26 3.309 -14.649 -2.484 157 3HG2 VAL 26 3HG2 VAL 26 3.444 -13.781 -4.011 158 H LYS 27 H LYS 27 -0.437 -12.455 -2.070 159 HA LYS 27 HA LYS 27 -1.012 -9.762 -2.862 160 1HB LYS 27 2HB LYS 27 -3.316 -10.310 -2.457 161 2HB LYS 27 1HB LYS 27 -2.534 -11.739 -3.130 162 1HG LYS 27 2HG LYS 27 -2.150 -12.376 -0.592 163 2HG LYS 27 1HG LYS 27 -3.469 -11.241 -0.310 164 1HD LYS 27 2HD LYS 27 -4.847 -12.510 -1.985 165 2HD LYS 27 1HD LYS 27 -3.549 -13.701 -2.082 166 1HE LYS 27 2HE LYS 27 -5.021 -14.620 -0.491 167 2HE LYS 27 1HE LYS 27 -3.777 -13.855 0.496 168 1HZ LYS 27 1HZ LYS 27 -6.436 -13.411 0.703 169 2HZ LYS 27 2HZ LYS 27 -5.924 -12.084 -0.228 170 3HZ LYS 27 3HZ LYS 27 -5.225 -12.377 1.291 171 H ASP 28 H ASP 28 -0.669 -11.236 0.349 172 HA ASP 28 HA ASP 28 -1.939 -9.221 1.876 173 1HB ASP 28 2HB ASP 28 -1.082 -11.310 2.868 174 2HB ASP 28 1HB ASP 28 0.574 -10.774 2.574 175 H ALA 29 H ALA 29 1.378 -9.317 0.570 176 HA ALA 29 HA ALA 29 2.184 -6.833 1.778 177 1HB ALA 29 1HB ALA 29 3.724 -8.615 0.822 178 2HB ALA 29 2HB ALA 29 4.104 -6.958 0.351 179 3HB ALA 29 3HB ALA 29 3.273 -8.028 -0.779 180 H LEU 30 H LEU 30 1.214 -7.627 -1.569 181 HA LEU 30 HA LEU 30 1.117 -4.935 -2.416 182 1HB LEU 30 2HB LEU 30 -0.705 -7.080 -3.473 183 2HB LEU 30 1HB LEU 30 -0.015 -5.716 -4.343 184 HG LEU 30 HG LEU 30 1.581 -8.041 -3.216 185 1HD1 LEU 30 1HD1 LEU 30 0.911 -7.326 -6.078 186 2HD1 LEU 30 2HD1 LEU 30 0.132 -8.614 -5.158 187 3HD1 LEU 30 3HD1 LEU 30 1.852 -8.719 -5.537 188 1HD2 LEU 30 1HD2 LEU 30 3.400 -7.038 -4.636 189 2HD2 LEU 30 2HD2 LEU 30 2.934 -6.024 -3.273 190 3HD2 LEU 30 3HD2 LEU 30 2.360 -5.639 -4.897 191 H THR 31 H THR 31 -1.513 -6.997 -1.136 192 HA THR 31 HA THR 31 -3.551 -5.012 -1.321 193 HB THR 31 HB THR 31 -4.657 -6.345 0.534 194 HG1 THR 31 1HG THR 31 -3.606 -8.154 1.228 195 1HG2 THR 31 1HG2 THR 31 -5.131 -8.219 -0.892 196 2HG2 THR 31 2HG2 THR 31 -3.590 -8.044 -1.726 197 3HG2 THR 31 3HG2 THR 31 -4.853 -6.837 -1.949 198 H LYS 32 H LYS 32 -1.198 -5.668 1.272 199 HA LYS 32 HA LYS 32 -2.337 -3.956 3.227 200 1HB LYS 32 2HB LYS 32 -0.512 -5.479 3.792 201 2HB LYS 32 1HB LYS 32 0.584 -4.617 2.715 202 1HG LYS 32 2HG LYS 32 -0.721 -2.835 4.698 203 2HG LYS 32 1HG LYS 32 0.260 -4.090 5.444 204 1HD LYS 32 2HD LYS 32 2.219 -3.402 4.224 205 2HD LYS 32 1HD LYS 32 1.273 -2.308 3.215 206 1HE LYS 32 2HE LYS 32 1.689 -2.046 6.208 207 2HE LYS 32 1HE LYS 32 2.443 -1.044 4.969 208 1HZ LYS 32 1HZ LYS 32 0.680 0.266 5.294 209 2HZ LYS 32 2HZ LYS 32 -0.230 -0.956 6.045 210 3HZ LYS 32 3HZ LYS 32 -0.166 -0.863 4.351 211 H MET 33 H MET 33 0.246 -3.229 0.847 212 HA MET 33 HA MET 33 0.324 -0.432 1.483 213 1HB MET 33 2HB MET 33 0.995 -1.709 -1.186 214 2HB MET 33 1HB MET 33 1.573 -0.155 -0.579 215 1HG MET 33 2HG MET 33 2.516 -1.504 1.416 216 2HG MET 33 1HG MET 33 2.265 -2.925 0.402 217 1HE MET 33 1HE MET 33 4.896 -2.957 -2.140 218 2HE MET 33 2HE MET 33 3.134 -2.963 -2.177 219 3HE MET 33 3HE MET 33 3.986 -3.852 -0.915 220 H ARG 34 H ARG 34 -1.776 -2.296 -0.667 221 HA ARG 34 HA ARG 34 -2.816 -0.118 -2.178 222 1HB ARG 34 2HB ARG 34 -3.363 -2.377 -2.838 223 2HB ARG 34 1HB ARG 34 -4.157 -2.686 -1.294 224 1HG ARG 34 2HG ARG 34 -5.984 -1.313 -1.795 225 2HG ARG 34 1HG ARG 34 -5.105 -0.409 -3.030 226 1HD ARG 34 2HD ARG 34 -5.102 -2.385 -4.499 227 2HD ARG 34 1HD ARG 34 -5.954 -3.313 -3.265 228 HE ARG 34 HE ARG 34 -7.473 -0.967 -3.835 229 1HH1 ARG 34 1HH2 ARG 34 -6.390 -3.917 -5.252 230 2HH1 ARG 34 2HH2 ARG 34 -7.770 -4.089 -6.283 231 1HH2 ARG 34 1HH1 ARG 34 -9.303 -1.187 -5.173 232 2HH2 ARG 34 2HH1 ARG 34 -9.415 -2.549 -6.236 233 H ALA 35 H ALA 35 -4.245 -1.621 0.733 234 HA ALA 35 HA ALA 35 -6.309 0.283 1.067 235 1HB ALA 35 1HB ALA 35 -6.265 -0.428 3.489 236 2HB ALA 35 2HB ALA 35 -4.820 -1.370 3.124 237 3HB ALA 35 3HB ALA 35 -6.354 -1.768 2.347 238 H ALA 36 H ALA 36 -2.910 0.420 1.960 239 HA ALA 36 HA ALA 36 -3.043 2.605 3.783 240 1HB ALA 36 1HB ALA 36 -0.705 2.908 3.371 241 2HB ALA 36 2HB ALA 36 -0.824 2.152 1.782 242 3HB ALA 36 3HB ALA 36 -1.006 1.175 3.239 243 H ALA 37 H ALA 37 -2.673 2.565 0.236 244 HA ALA 37 HA ALA 37 -2.512 5.398 -0.082 245 1HB ALA 37 1HB ALA 37 -3.330 4.897 -2.436 246 2HB ALA 37 2HB ALA 37 -3.472 3.209 -1.943 247 3HB ALA 37 3HB ALA 37 -1.896 4.001 -1.933 248 H LEU 38 H LEU 38 -5.305 3.183 0.004 249 HA LEU 38 HA LEU 38 -7.255 5.217 -0.581 250 1HB LEU 38 2HB LEU 38 -7.738 2.745 1.087 251 2HB LEU 38 1HB LEU 38 -8.903 3.637 0.111 252 HG LEU 38 HG LEU 38 -6.496 2.151 -0.981 253 1HD1 LEU 38 1HD1 LEU 38 -8.356 0.727 -0.033 254 2HD1 LEU 38 2HD1 LEU 38 -8.062 0.492 -1.755 255 3HD1 LEU 38 3HD1 LEU 38 -9.435 1.461 -1.223 256 1HD2 LEU 38 1HD2 LEU 38 -7.852 2.537 -3.157 257 2HD2 LEU 38 2HD2 LEU 38 -6.976 3.914 -2.492 258 3HD2 LEU 38 3HD2 LEU 38 -8.715 3.774 -2.240 259 H ASP 39 H ASP 39 -5.759 4.011 2.374 260 HA ASP 39 HA ASP 39 -7.438 5.345 4.239 261 1HB ASP 39 2HB ASP 39 -5.424 3.599 4.512 262 2HB ASP 39 1HB ASP 39 -4.490 5.067 4.790 263 H ALA 40 H ALA 40 -4.221 6.404 3.002 264 HA ALA 40 HA ALA 40 -4.460 9.039 4.103 265 1HB ALA 40 1HB ALA 40 -2.276 8.312 3.411 266 2HB ALA 40 2HB ALA 40 -2.725 9.639 2.341 267 3HB ALA 40 3HB ALA 40 -2.842 7.974 1.775 268 H GLN 41 H GLN 41 -6.001 7.574 1.385 269 HA GLN 41 HA GLN 41 -6.382 10.046 -0.098 270 1HB GLN 41 2HB GLN 41 -6.425 7.876 -1.250 271 2HB GLN 41 1HB GLN 41 -7.827 7.400 -0.300 272 1HG GLN 41 2HG GLN 41 -8.340 9.976 -1.575 273 2HG GLN 41 1HG GLN 41 -7.847 8.798 -2.786 274 1HE2 GLN 41 1HE2 GLN 41 -8.992 6.450 -2.108 275 2HE2 GLN 41 2HE2 GLN 41 -10.671 6.592 -1.915 276 H LYS 42 H LYS 42 -7.247 11.401 1.586 277 HA LYS 42 HA LYS 42 -8.967 12.284 2.958 278 1HB LYS 42 2HB LYS 42 -10.775 11.494 0.676 279 2HB LYS 42 1HB LYS 42 -10.782 12.975 1.632 280 1HG LYS 42 2HG LYS 42 -8.618 12.175 -0.349 281 2HG LYS 42 1HG LYS 42 -9.880 13.367 -0.642 282 1HD LYS 42 2HD LYS 42 -9.016 14.598 1.426 283 2HD LYS 42 1HD LYS 42 -7.619 13.529 1.366 284 1HE LYS 42 2HE LYS 42 -7.513 14.299 -1.171 285 2HE LYS 42 1HE LYS 42 -8.446 15.671 -0.570 286 1HZ LYS 42 1HZ LYS 42 -6.713 16.008 1.119 287 2HZ LYS 42 2HZ LYS 42 -6.112 16.160 -0.462 288 3HZ LYS 42 3HZ LYS 42 -5.806 14.749 0.433 289 H ALA 43 H ALA 43 -8.565 9.797 3.954 290 HA ALA 43 HA ALA 43 -11.349 8.856 4.523 291 1HB ALA 43 1HB ALA 43 -8.996 7.153 3.698 292 2HB ALA 43 2HB ALA 43 -10.596 7.227 2.964 293 3HB ALA 43 3HB ALA 43 -10.392 6.490 4.551 294 H THR 44 H THR 44 -7.924 8.587 5.489 295 HA THR 44 HA THR 44 -8.748 8.910 8.332 296 HB THR 44 HB THR 44 -6.614 6.964 7.391 297 HG1 THR 44 1HG THR 44 -9.237 6.428 8.325 298 1HG2 THR 44 1HG2 THR 44 -6.480 6.263 9.647 299 2HG2 THR 44 2HG2 THR 44 -8.000 7.049 10.071 300 3HG2 THR 44 3HG2 THR 44 -6.563 8.017 9.754 301 HA PRO 45 HA PRO 45 -5.706 11.955 6.093 302 1HB PRO 45 2HB PRO 45 -7.169 13.307 8.358 303 2HB PRO 45 1HB PRO 45 -6.570 14.003 6.837 304 1HG PRO 45 2HG PRO 45 -9.138 13.249 7.157 305 2HG PRO 45 1HG PRO 45 -8.298 13.137 5.599 306 1HD PRO 45 2HD PRO 45 -9.227 10.946 7.318 307 2HD PRO 45 1HD PRO 45 -8.598 10.871 5.660 308 HA PRO 46 HA PRO 46 -3.167 11.043 9.828 309 1HB PRO 46 2HB PRO 46 -1.034 9.879 8.511 310 2HB PRO 46 1HB PRO 46 -2.465 8.981 9.052 311 1HG PRO 46 2HG PRO 46 -1.642 9.643 6.328 312 2HG PRO 46 1HG PRO 46 -2.885 8.511 6.878 313 1HD PRO 46 2HD PRO 46 -3.240 11.244 5.869 314 2HD PRO 46 1HD PRO 46 -4.478 10.021 6.215 315 H LYS 47 H LYS 47 -1.344 11.760 6.822 316 HA LYS 47 HA LYS 47 0.092 13.916 8.249 317 1HB LYS 47 2HB LYS 47 0.550 13.292 5.344 318 2HB LYS 47 1HB LYS 47 1.702 13.808 6.574 319 1HG LYS 47 2HG LYS 47 1.208 11.492 7.683 320 2HG LYS 47 1HG LYS 47 0.537 11.063 6.109 321 1HD LYS 47 2HD LYS 47 2.632 11.474 5.001 322 2HD LYS 47 1HD LYS 47 3.328 12.204 6.444 323 1HE LYS 47 2HE LYS 47 3.623 10.154 7.506 324 2HE LYS 47 1HE LYS 47 2.334 9.369 6.586 325 1HZ LYS 47 1HZ LYS 47 3.678 9.209 4.706 326 2HZ LYS 47 2HZ LYS 47 4.730 8.819 5.980 327 3HZ LYS 47 3HZ LYS 47 4.789 10.362 5.273 328 H LEU 48 H LEU 48 -2.623 13.475 6.243 329 HA LEU 48 HA LEU 48 -2.585 16.134 5.014 330 1HB LEU 48 2HB LEU 48 -4.809 14.075 5.293 331 2HB LEU 48 1HB LEU 48 -4.926 15.547 4.335 332 HG LEU 48 HG LEU 48 -2.774 13.459 3.892 333 1HD1 LEU 48 1HD1 LEU 48 -4.796 12.280 3.466 334 2HD1 LEU 48 2HD1 LEU 48 -4.245 12.823 1.882 335 3HD1 LEU 48 3HD1 LEU 48 -5.549 13.679 2.707 336 1HD2 LEU 48 1HD2 LEU 48 -3.757 15.887 2.384 337 2HD2 LEU 48 2HD2 LEU 48 -2.923 14.584 1.542 338 3HD2 LEU 48 3HD2 LEU 48 -2.108 15.459 2.835 339 H GLU 49 H GLU 49 -2.351 17.495 6.875 340 HA GLU 49 HA GLU 49 -4.491 17.378 8.938 341 1HB GLU 49 2HB GLU 49 -1.956 17.471 9.438 342 2HB GLU 49 1HB GLU 49 -2.069 19.175 9.004 343 1HG GLU 49 2HG GLU 49 -3.688 19.577 10.761 344 2HG GLU 49 1HG GLU 49 -3.819 17.850 11.100 345 H ASP 50 H ASP 50 -3.107 19.660 6.561 346 HA ASP 50 HA ASP 50 -5.613 21.065 6.315 347 1HB ASP 50 2HB ASP 50 -4.842 21.920 8.560 348 2HB ASP 50 1HB ASP 50 -3.436 22.612 7.755 349 H LYS 51 H LYS 51 -3.888 19.946 4.463 350 HA LYS 51 HA LYS 51 -2.294 22.119 3.245 351 1HB LYS 51 2HB LYS 51 -2.764 19.214 2.530 352 2HB LYS 51 1HB LYS 51 -1.804 20.312 1.536 353 1HG LYS 51 2HG LYS 51 -0.256 20.695 3.370 354 2HG LYS 51 1HG LYS 51 -1.265 19.758 4.468 355 1HD LYS 51 2HD LYS 51 -0.857 17.728 3.178 356 2HD LYS 51 1HD LYS 51 0.062 18.642 1.982 357 1HE LYS 51 2HE LYS 51 0.842 18.625 4.900 358 2HE LYS 51 1HE LYS 51 1.413 17.392 3.777 359 1HZ LYS 51 1HZ LYS 51 1.949 19.543 2.359 360 2HZ LYS 51 2HZ LYS 51 3.044 18.907 3.486 361 3HZ LYS 51 3HZ LYS 51 2.069 20.231 3.908 362 H SER 52 H SER 52 -4.544 19.802 1.649 363 HA SER 52 HA SER 52 -6.309 20.267 0.140 364 1HB SER 52 2HB SER 52 -6.570 22.070 2.176 365 2HB SER 52 1HB SER 52 -6.373 23.170 0.813 366 HG SER 52 HG SER 52 -8.379 21.312 1.389 367 HA PRO 53 HA PRO 53 -4.535 22.070 -3.485 368 1HB PRO 53 2HB PRO 53 -6.515 24.302 -3.695 369 2HB PRO 53 1HB PRO 53 -6.134 23.018 -4.864 370 1HG PRO 53 2HG PRO 53 -8.387 22.926 -3.486 371 2HG PRO 53 1HG PRO 53 -7.443 21.450 -3.756 372 1HD PRO 53 2HD PRO 53 -7.575 23.144 -1.271 373 2HD PRO 53 1HD PRO 53 -7.624 21.369 -1.438 374 H ASP 54 H ASP 54 -3.601 23.148 -0.940 375 HA ASP 54 HA ASP 54 -2.875 25.960 -1.570 376 1HB ASP 54 2HB ASP 54 -3.685 25.389 0.735 377 2HB ASP 54 1HB ASP 54 -2.287 24.326 0.936 378 H SER 55 H SER 55 -1.738 22.878 -2.151 379 HA SER 55 HA SER 55 0.831 23.828 -3.044 380 1HB SER 55 2HB SER 55 0.811 23.311 -0.358 381 2HB SER 55 1HB SER 55 1.265 21.729 -0.973 382 HG SER 55 HG SER 55 2.673 24.084 -0.902 383 HA PRO 56 HA PRO 56 0.876 20.092 -5.495 384 1HB PRO 56 2HB PRO 56 2.987 18.733 -3.851 385 2HB PRO 56 1HB PRO 56 2.924 19.006 -5.606 386 1HG PRO 56 2HG PRO 56 4.510 20.476 -4.105 387 2HG PRO 56 1HG PRO 56 3.561 21.236 -5.400 388 1HD PRO 56 2HD PRO 56 3.035 21.240 -2.433 389 2HD PRO 56 1HD PRO 56 2.881 22.568 -3.610 390 H GLU 57 H GLU 57 -0.028 19.893 -2.299 391 HA GLU 57 HA GLU 57 -0.243 17.223 -1.602 392 1HB GLU 57 2HB GLU 57 -1.109 18.732 -0.036 393 2HB GLU 57 1HB GLU 57 -2.130 19.540 -1.219 394 1HG GLU 57 2HG GLU 57 -2.611 16.639 -0.534 395 2HG GLU 57 1HG GLU 57 -3.226 17.908 0.524 396 H MET 58 H MET 58 -2.610 18.957 -3.687 397 HA MET 58 HA MET 58 -4.189 16.668 -4.312 398 1HB MET 58 2HB MET 58 -3.611 19.236 -5.805 399 2HB MET 58 1HB MET 58 -4.661 17.999 -6.490 400 1HG MET 58 2HG MET 58 -6.001 18.106 -4.327 401 2HG MET 58 1HG MET 58 -5.058 19.538 -3.915 402 1HE MET 58 1HE MET 58 -8.521 19.096 -6.787 403 2HE MET 58 2HE MET 58 -8.282 18.439 -5.172 404 3HE MET 58 3HE MET 58 -7.323 17.820 -6.514 405 H LYS 59 H LYS 59 -1.402 18.073 -6.084 406 HA LYS 59 HA LYS 59 -1.395 16.072 -8.116 407 1HB LYS 59 2HB LYS 59 1.043 17.545 -7.135 408 2HB LYS 59 1HB LYS 59 0.721 16.936 -8.759 409 1HG LYS 59 2HG LYS 59 -1.190 18.524 -8.936 410 2HG LYS 59 1HG LYS 59 -0.766 19.164 -7.348 411 1HD LYS 59 2HD LYS 59 0.522 20.647 -8.532 412 2HD LYS 59 1HD LYS 59 1.666 19.307 -8.595 413 1HE LYS 59 2HE LYS 59 1.340 20.213 -10.843 414 2HE LYS 59 1HE LYS 59 0.657 18.590 -10.764 415 1HZ LYS 59 1HZ LYS 59 -1.354 20.281 -9.966 416 2HZ LYS 59 2HZ LYS 59 -1.230 19.477 -11.459 417 3HZ LYS 59 3HZ LYS 59 -0.636 21.063 -11.288 418 H ASP 60 H ASP 60 0.663 16.385 -5.203 419 HA ASP 60 HA ASP 60 2.042 13.927 -5.564 420 1HB ASP 60 2HB ASP 60 2.637 15.584 -3.765 421 2HB ASP 60 1HB ASP 60 1.180 15.078 -2.904 422 H PHE 61 H PHE 61 -1.153 14.663 -4.257 423 HA PHE 61 HA PHE 61 -1.651 11.979 -3.318 424 1HB PHE 61 2HB PHE 61 -3.086 13.556 -2.341 425 2HB PHE 61 1HB PHE 61 -3.336 14.419 -3.853 426 HD1 PHE 61 1HD PHE 61 -5.736 14.429 -3.841 427 HD2 PHE 61 2HD PHE 61 -3.586 10.731 -3.446 428 HE1 PHE 61 1HE PHE 61 -7.837 13.169 -4.190 429 HE2 PHE 61 2HE PHE 61 -5.681 9.464 -3.827 430 HZ PHE 61 HZ PHE 61 -7.810 10.689 -4.192 431 H ARG 62 H ARG 62 -2.567 13.837 -6.210 432 HA ARG 62 HA ARG 62 -3.822 11.692 -7.558 433 1HB ARG 62 2HB ARG 62 -2.312 14.048 -8.708 434 2HB ARG 62 1HB ARG 62 -3.345 12.977 -9.640 435 1HG ARG 62 2HG ARG 62 -4.731 13.984 -7.246 436 2HG ARG 62 1HG ARG 62 -4.173 15.301 -8.270 437 1HD ARG 62 2HD ARG 62 -6.397 14.659 -8.970 438 2HD ARG 62 1HD ARG 62 -5.269 14.158 -10.226 439 HE ARG 62 HE ARG 62 -5.755 12.059 -8.280 440 1HH1 ARG 62 1HH2 ARG 62 -6.895 13.690 -11.098 441 2HH1 ARG 62 2HH2 ARG 62 -7.873 12.364 -11.634 442 1HH2 ARG 62 1HH1 ARG 62 -7.031 10.315 -8.964 443 2HH2 ARG 62 2HH1 ARG 62 -7.952 10.455 -10.423 444 H HIS 63 H HIS 63 -0.523 12.983 -8.061 445 HA HIS 63 HA HIS 63 0.344 10.740 -9.627 446 1HB HIS 63 2HB HIS 63 1.297 13.193 -9.309 447 2HB HIS 63 1HB HIS 63 2.265 12.431 -8.048 448 HD1 HIS 63 1HD HIS 63 1.480 12.023 -11.747 449 HD2 HIS 63 2HD HIS 63 4.445 11.054 -9.003 450 HE1 HIS 63 1HE HIS 63 3.345 10.937 -13.072 451 H GLY 64 H GLY 64 0.089 11.212 -6.178 452 1HA GLY 64 2HA GLY 64 2.099 9.252 -5.444 453 2HA GLY 64 1HA GLY 64 0.881 9.920 -4.361 454 H PHE 65 H PHE 65 -1.503 9.063 -5.236 455 HA PHE 65 HA PHE 65 -1.428 6.255 -4.672 456 1HB PHE 65 2HB PHE 65 -3.739 6.354 -4.542 457 2HB PHE 65 1HB PHE 65 -3.355 8.056 -4.330 458 HD1 PHE 65 1HD PHE 65 -4.296 9.658 -5.794 459 HD2 PHE 65 2HD PHE 65 -4.226 5.538 -6.940 460 HE1 PHE 65 1HE PHE 65 -5.691 10.190 -7.762 461 HE2 PHE 65 2HE PHE 65 -5.622 6.060 -8.919 462 HZ PHE 65 HZ PHE 65 -6.356 8.392 -9.330 463 H ASP 66 H ASP 66 -1.378 8.054 -7.629 464 HA ASP 66 HA ASP 66 -2.187 5.982 -9.404 465 1HB ASP 66 2HB ASP 66 -2.041 8.376 -10.046 466 2HB ASP 66 1HB ASP 66 -0.284 8.266 -9.945 467 H ILE 67 H ILE 67 0.958 6.934 -8.115 468 HA ILE 67 HA ILE 67 2.462 5.029 -9.655 469 HB ILE 67 HB ILE 67 2.993 6.473 -7.048 470 1HG1 ILE 67 2HG1 ILE 67 4.189 6.763 -9.813 471 2HG1 ILE 67 1HG1 ILE 67 2.828 7.723 -9.225 472 1HG2 ILE 67 1HG2 ILE 67 4.356 4.544 -6.865 473 2HG2 ILE 67 2HG2 ILE 67 5.419 5.762 -7.548 474 3HG2 ILE 67 3HG2 ILE 67 4.719 4.523 -8.589 475 1HD1 ILE 67 1HD1 ILE 67 5.533 7.571 -7.854 476 2HD1 ILE 67 2HD1 ILE 67 4.204 8.653 -7.437 477 3HD1 ILE 67 3HD1 ILE 67 5.065 8.852 -8.963 478 H LEU 68 H LEU 68 1.222 4.970 -6.314 479 HA LEU 68 HA LEU 68 2.007 2.344 -5.635 480 1HB LEU 68 2HB LEU 68 -0.293 4.078 -4.722 481 2HB LEU 68 1HB LEU 68 0.075 2.524 -3.972 482 HG LEU 68 HG LEU 68 2.265 4.582 -4.276 483 1HD1 LEU 68 1HD1 LEU 68 1.717 5.619 -2.189 484 2HD1 LEU 68 2HD1 LEU 68 0.426 4.459 -1.876 485 3HD1 LEU 68 3HD1 LEU 68 0.247 5.660 -3.155 486 1HD2 LEU 68 1HD2 LEU 68 1.678 2.476 -2.173 487 2HD2 LEU 68 2HD2 LEU 68 3.133 3.468 -2.269 488 3HD2 LEU 68 3HD2 LEU 68 2.797 2.272 -3.516 489 H VAL 69 H VAL 69 -1.245 3.386 -6.785 490 HA VAL 69 HA VAL 69 -2.253 0.715 -7.015 491 HB VAL 69 HB VAL 69 -3.970 1.644 -8.501 492 1HG1 VAL 69 1HG1 VAL 69 -4.884 3.341 -7.023 493 2HG1 VAL 69 2HG1 VAL 69 -3.316 3.528 -6.251 494 3HG1 VAL 69 3HG1 VAL 69 -4.195 2.011 -6.096 495 1HG2 VAL 69 1HG2 VAL 69 -3.634 4.291 -8.823 496 2HG2 VAL 69 2HG2 VAL 69 -3.080 3.118 -10.013 497 3HG2 VAL 69 3HG2 VAL 69 -1.947 3.780 -8.849 498 H GLY 70 H GLY 70 -0.406 2.757 -9.195 499 1HA GLY 70 2HA GLY 70 -0.645 1.166 -11.544 500 2HA GLY 70 1HA GLY 70 0.663 2.298 -11.217 501 H GLN 71 H GLN 71 1.686 0.970 -8.833 502 HA GLN 71 HA GLN 71 3.109 -1.227 -10.208 503 1HB GLN 71 2HB GLN 71 4.610 -1.138 -8.232 504 2HB GLN 71 1HB GLN 71 4.439 0.441 -8.999 505 1HG GLN 71 2HG GLN 71 2.594 0.915 -7.337 506 2HG GLN 71 1HG GLN 71 3.066 -0.538 -6.488 507 1HE2 GLN 71 1HE2 GLN 71 3.519 2.767 -6.421 508 2HE2 GLN 71 2HE2 GLN 71 5.068 2.812 -5.716 509 H ILE 72 H ILE 72 0.749 -0.764 -7.681 510 HA ILE 72 HA ILE 72 1.054 -3.290 -6.374 511 HB ILE 72 HB ILE 72 -1.251 -1.371 -6.746 512 1HG1 ILE 72 2HG1 ILE 72 0.177 -2.240 -4.221 513 2HG1 ILE 72 1HG1 ILE 72 0.776 -0.923 -5.232 514 1HG2 ILE 72 1HG2 ILE 72 -2.338 -2.798 -4.878 515 2HG2 ILE 72 2HG2 ILE 72 -1.248 -4.075 -5.410 516 3HG2 ILE 72 3HG2 ILE 72 -2.432 -3.406 -6.528 517 1HD1 ILE 72 1HD1 ILE 72 -0.764 -0.312 -3.251 518 2HD1 ILE 72 2HD1 ILE 72 -2.076 -0.964 -4.237 519 3HD1 ILE 72 3HD1 ILE 72 -1.130 0.410 -4.817 520 H ASP 73 H ASP 73 -0.774 -2.222 -9.217 521 HA ASP 73 HA ASP 73 -1.947 -4.831 -9.725 522 1HB ASP 73 2HB ASP 73 -2.940 -2.740 -10.610 523 2HB ASP 73 1HB ASP 73 -1.514 -2.506 -11.620 524 H ASP 74 H ASP 74 0.829 -3.034 -11.135 525 HA ASP 74 HA ASP 74 1.589 -5.036 -13.016 526 1HB ASP 74 2HB ASP 74 3.562 -3.275 -11.549 527 2HB ASP 74 1HB ASP 74 3.693 -3.933 -13.180 528 H ALA 75 H ALA 75 2.523 -4.648 -9.595 529 HA ALA 75 HA ALA 75 4.379 -6.870 -9.715 530 1HB ALA 75 1HB ALA 75 4.657 -5.091 -8.048 531 2HB ALA 75 2HB ALA 75 4.431 -6.644 -7.243 532 3HB ALA 75 3HB ALA 75 3.099 -5.491 -7.334 533 H LEU 76 H LEU 76 0.964 -6.508 -8.989 534 HA LEU 76 HA LEU 76 0.626 -9.029 -7.661 535 1HB LEU 76 2HB LEU 76 -1.013 -7.109 -7.663 536 2HB LEU 76 1HB LEU 76 -1.423 -7.518 -9.322 537 HG LEU 76 HG LEU 76 -1.554 -9.700 -7.240 538 1HD1 LEU 76 1HD1 LEU 76 -2.726 -7.937 -6.102 539 2HD1 LEU 76 2HD1 LEU 76 -3.939 -9.020 -6.785 540 3HD1 LEU 76 3HD1 LEU 76 -3.590 -7.482 -7.572 541 1HD2 LEU 76 1HD2 LEU 76 -2.078 -10.490 -9.406 542 2HD2 LEU 76 2HD2 LEU 76 -2.980 -9.039 -9.836 543 3HD2 LEU 76 3HD2 LEU 76 -3.663 -10.197 -8.699 544 H LYS 77 H LYS 77 -0.087 -8.102 -11.079 545 HA LYS 77 HA LYS 77 -0.700 -10.746 -11.940 546 1HB LYS 77 2HB LYS 77 -0.038 -9.994 -14.228 547 2HB LYS 77 1HB LYS 77 -1.136 -8.871 -13.443 548 1HG LYS 77 2HG LYS 77 0.410 -7.282 -14.066 549 2HG LYS 77 1HG LYS 77 1.272 -7.837 -12.648 550 1HD LYS 77 2HD LYS 77 2.928 -7.965 -14.285 551 2HD LYS 77 1HD LYS 77 2.312 -9.614 -14.263 552 1HE LYS 77 2HE LYS 77 1.991 -7.498 -16.348 553 2HE LYS 77 1HE LYS 77 2.221 -9.235 -16.529 554 1HZ LYS 77 1HZ LYS 77 0.000 -9.653 -16.219 555 2HZ LYS 77 2HZ LYS 77 -0.065 -8.172 -17.051 556 3HZ LYS 77 3HZ LYS 77 -0.280 -8.215 -15.369 557 H LEU 78 H LEU 78 2.381 -9.024 -11.654 558 HA LEU 78 HA LEU 78 3.992 -11.055 -12.813 559 1HB LEU 78 2HB LEU 78 4.543 -8.589 -11.872 560 2HB LEU 78 1HB LEU 78 5.039 -9.507 -10.457 561 HG LEU 78 HG LEU 78 6.951 -9.154 -11.927 562 1HD1 LEU 78 1HD1 LEU 78 7.717 -11.429 -12.070 563 2HD1 LEU 78 2HD1 LEU 78 6.066 -12.044 -12.163 564 3HD1 LEU 78 3HD1 LEU 78 6.659 -11.315 -10.666 565 1HD2 LEU 78 1HD2 LEU 78 5.153 -9.320 -14.034 566 2HD2 LEU 78 2HD2 LEU 78 5.989 -10.872 -14.148 567 3HD2 LEU 78 3HD2 LEU 78 6.907 -9.369 -14.197 568 H ALA 79 H ALA 79 2.972 -10.504 -9.456 569 HA ALA 79 HA ALA 79 4.229 -12.793 -8.338 570 1HB ALA 79 1HB ALA 79 2.972 -10.861 -7.157 571 2HB ALA 79 2HB ALA 79 2.840 -12.480 -6.473 572 3HB ALA 79 3HB ALA 79 1.519 -11.820 -7.442 573 H ASN 80 H ASN 80 0.870 -12.438 -9.569 574 HA ASN 80 HA ASN 80 0.175 -15.173 -9.237 575 1HB ASN 80 2HB ASN 80 -0.832 -12.905 -10.895 576 2HB ASN 80 1HB ASN 80 -1.322 -14.512 -11.411 577 1HD2 ASN 80 1HD2 ASN 80 -2.692 -12.161 -9.903 578 2HD2 ASN 80 2HD2 ASN 80 -3.480 -12.921 -8.603 579 H GLU 81 H GLU 81 1.156 -13.554 -12.272 580 HA GLU 81 HA GLU 81 1.678 -16.084 -13.568 581 1HB GLU 81 2HB GLU 81 0.942 -14.124 -14.833 582 2HB GLU 81 1HB GLU 81 2.369 -13.232 -14.333 583 1HG GLU 81 2HG GLU 81 2.355 -14.277 -16.698 584 2HG GLU 81 1HG GLU 81 3.797 -14.494 -15.718 585 H GLY 82 H GLY 82 3.343 -14.798 -11.107 586 1HA GLY 82 2HA GLY 82 5.956 -15.868 -12.104 587 2HA GLY 82 1HA GLY 82 5.913 -14.313 -11.299 588 H LYS 83 H LYS 83 7.491 -15.981 -10.074 589 HA LYS 83 HA LYS 83 6.108 -17.650 -8.090 590 1HB LYS 83 2HB LYS 83 8.948 -17.040 -8.827 591 2HB LYS 83 1HB LYS 83 8.665 -17.535 -7.170 592 1HG LYS 83 2HG LYS 83 9.149 -19.513 -8.484 593 2HG LYS 83 1HG LYS 83 7.455 -19.544 -8.029 594 1HD LYS 83 2HD LYS 83 7.509 -20.149 -10.345 595 2HD LYS 83 1HD LYS 83 6.939 -18.488 -10.300 596 1HE LYS 83 2HE LYS 83 8.752 -19.075 -12.042 597 2HE LYS 83 1HE LYS 83 9.005 -17.628 -11.072 598 1HZ LYS 83 1HZ LYS 83 10.526 -18.763 -9.695 599 2HZ LYS 83 2HZ LYS 83 10.964 -19.150 -11.289 600 3HZ LYS 83 3HZ LYS 83 10.114 -20.276 -10.340 601 H VAL 84 H VAL 84 7.167 -17.177 -5.675 602 HA VAL 84 HA VAL 84 6.032 -14.547 -4.998 603 HB VAL 84 HB VAL 84 7.204 -16.739 -3.240 604 1HG1 VAL 84 1HG1 VAL 84 5.843 -14.102 -2.610 605 2HG1 VAL 84 2HG1 VAL 84 7.441 -14.634 -2.088 606 3HG1 VAL 84 3HG1 VAL 84 5.997 -15.401 -1.434 607 1HG2 VAL 84 1HG2 VAL 84 5.201 -17.665 -3.959 608 2HG2 VAL 84 2HG2 VAL 84 4.465 -16.101 -4.278 609 3HG2 VAL 84 3HG2 VAL 84 4.588 -16.694 -2.625 610 H LYS 85 H LYS 85 9.153 -16.256 -4.536 611 HA LYS 85 HA LYS 85 10.593 -13.990 -3.548 612 1HB LYS 85 2HB LYS 85 11.820 -15.948 -3.252 613 2HB LYS 85 1HB LYS 85 11.284 -16.631 -4.782 614 1HG LYS 85 2HG LYS 85 12.836 -15.250 -6.020 615 2HG LYS 85 1HG LYS 85 13.260 -14.335 -4.574 616 1HD LYS 85 2HD LYS 85 13.632 -17.318 -4.514 617 2HD LYS 85 1HD LYS 85 14.781 -16.369 -5.449 618 1HE LYS 85 2HE LYS 85 14.146 -15.457 -2.661 619 2HE LYS 85 1HE LYS 85 15.209 -16.848 -2.871 620 1HZ LYS 85 1HZ LYS 85 15.670 -14.069 -3.486 621 2HZ LYS 85 2HZ LYS 85 16.184 -15.154 -4.688 622 3HZ LYS 85 3HZ LYS 85 16.776 -15.298 -3.101 623 H GLU 86 H GLU 86 9.618 -15.075 -6.693 624 HA GLU 86 HA GLU 86 11.248 -13.375 -8.321 625 1HB GLU 86 2HB GLU 86 10.120 -15.151 -9.410 626 2HB GLU 86 1HB GLU 86 8.576 -14.751 -8.667 627 1HG GLU 86 2HG GLU 86 8.690 -14.147 -11.059 628 2HG GLU 86 1HG GLU 86 8.396 -12.749 -10.040 629 H ALA 87 H ALA 87 7.908 -13.003 -7.107 630 HA ALA 87 HA ALA 87 7.524 -10.340 -8.066 631 1HB ALA 87 1HB ALA 87 5.454 -10.955 -7.309 632 2HB ALA 87 2HB ALA 87 6.008 -10.535 -5.689 633 3HB ALA 87 3HB ALA 87 6.148 -12.195 -6.263 634 H GLN 88 H GLN 88 9.068 -11.577 -5.128 635 HA GLN 88 HA GLN 88 9.196 -9.114 -3.720 636 1HB GLN 88 2HB GLN 88 10.280 -10.417 -2.199 637 2HB GLN 88 1HB GLN 88 10.139 -11.733 -3.352 638 1HG GLN 88 2HG GLN 88 12.436 -11.576 -2.719 639 2HG GLN 88 1HG GLN 88 12.333 -10.972 -4.361 640 1HE2 GLN 88 1HE2 GLN 88 10.922 -8.652 -2.378 641 2HE2 GLN 88 2HE2 GLN 88 12.271 -7.648 -2.145 642 H ALA 89 H ALA 89 11.184 -10.458 -6.307 643 HA ALA 89 HA ALA 89 13.274 -8.542 -6.280 644 1HB ALA 89 1HB ALA 89 12.047 -9.920 -8.680 645 2HB ALA 89 2HB ALA 89 13.297 -10.607 -7.644 646 3HB ALA 89 3HB ALA 89 13.643 -9.174 -8.614 647 H ALA 90 H ALA 90 10.111 -8.512 -7.905 648 HA ALA 90 HA ALA 90 10.397 -6.074 -9.314 649 1HB ALA 90 1HB ALA 90 8.503 -7.605 -9.655 650 2HB ALA 90 2HB ALA 90 7.930 -5.982 -9.268 651 3HB ALA 90 3HB ALA 90 7.914 -7.242 -8.034 652 H ALA 91 H ALA 91 9.421 -6.679 -5.935 653 HA ALA 91 HA ALA 91 8.672 -3.973 -5.376 654 1HB ALA 91 1HB ALA 91 8.592 -4.611 -3.115 655 2HB ALA 91 2HB ALA 91 9.885 -5.796 -3.301 656 3HB ALA 91 3HB ALA 91 8.284 -6.126 -3.965 657 H GLU 92 H GLU 92 11.788 -5.643 -5.382 658 HA GLU 92 HA GLU 92 13.308 -3.658 -4.012 659 1HB GLU 92 2HB GLU 92 14.253 -5.425 -6.282 660 2HB GLU 92 1HB GLU 92 15.260 -4.654 -5.054 661 1HG GLU 92 2HG GLU 92 13.832 -5.920 -3.330 662 2HG GLU 92 1HG GLU 92 13.256 -6.872 -4.692 663 H GLN 93 H GLN 93 12.874 -4.105 -7.555 664 HA GLN 93 HA GLN 93 14.257 -1.701 -8.254 665 1HB GLN 93 2HB GLN 93 12.878 -1.808 -10.387 666 2HB GLN 93 1HB GLN 93 13.823 -3.251 -10.023 667 1HG GLN 93 2HG GLN 93 11.791 -4.244 -8.967 668 2HG GLN 93 1HG GLN 93 10.866 -2.841 -9.504 669 1HE2 GLN 93 1HE2 GLN 93 9.566 -3.937 -11.087 670 2HE2 GLN 93 2HE2 GLN 93 10.225 -4.668 -12.472 671 H LEU 94 H LEU 94 10.861 -2.296 -7.371 672 HA LEU 94 HA LEU 94 10.034 0.429 -7.932 673 1HB LEU 94 2HB LEU 94 8.846 -1.672 -6.094 674 2HB LEU 94 1HB LEU 94 8.099 -0.108 -6.421 675 HG LEU 94 HG LEU 94 8.854 -1.985 -8.667 676 1HD1 LEU 94 1HD1 LEU 94 7.421 -3.359 -7.369 677 2HD1 LEU 94 2HD1 LEU 94 6.369 -2.642 -8.586 678 3HD1 LEU 94 3HD1 LEU 94 6.376 -2.004 -6.940 679 1HD2 LEU 94 1HD2 LEU 94 8.313 0.193 -9.467 680 2HD2 LEU 94 2HD2 LEU 94 6.965 0.365 -8.341 681 3HD2 LEU 94 3HD2 LEU 94 6.847 -0.748 -9.701 682 H LYS 95 H LYS 95 11.958 -1.058 -5.546 683 HA LYS 95 HA LYS 95 11.355 0.835 -3.413 684 1HB LYS 95 2HB LYS 95 12.517 -1.556 -3.337 685 2HB LYS 95 1HB LYS 95 13.987 -0.625 -3.598 686 1HG LYS 95 2HG LYS 95 11.995 -0.092 -1.370 687 2HG LYS 95 1HG LYS 95 13.484 -1.013 -1.181 688 1HD LYS 95 2HD LYS 95 14.727 1.028 -2.061 689 2HD LYS 95 1HD LYS 95 13.211 1.916 -1.896 690 1HE LYS 95 2HE LYS 95 14.559 2.230 0.124 691 2HE LYS 95 1HE LYS 95 13.130 1.272 0.510 692 1HZ LYS 95 1HZ LYS 95 15.715 0.020 -0.199 693 2HZ LYS 95 2HZ LYS 95 14.373 -0.689 0.565 694 3HZ LYS 95 3HZ LYS 95 15.328 0.445 1.398 695 H THR 96 H THR 96 14.159 0.408 -5.602 696 HA THR 96 HA THR 96 15.282 2.977 -4.939 697 HB THR 96 HB THR 96 16.033 1.600 -7.491 698 HG1 THR 96 1HG THR 96 16.035 0.440 -4.945 699 1HG2 THR 96 1HG2 THR 96 17.234 3.563 -6.289 700 2HG2 THR 96 2HG2 THR 96 18.218 2.217 -6.862 701 3HG2 THR 96 3HG2 THR 96 17.790 2.330 -5.156 702 H THR 97 H THR 97 12.525 2.357 -6.692 703 HA THR 97 HA THR 97 12.827 4.919 -8.174 704 HB THR 97 HB THR 97 12.213 2.202 -9.317 705 HG1 THR 97 1HG THR 97 14.160 2.793 -9.911 706 1HG2 THR 97 1HG2 THR 97 11.161 4.848 -10.330 707 2HG2 THR 97 2HG2 THR 97 10.247 3.383 -9.974 708 3HG2 THR 97 3HG2 THR 97 11.332 3.429 -11.361 709 H GLY 98 H GLY 98 10.680 2.323 -7.058 710 1HA GLY 98 2HA GLY 98 8.292 4.008 -7.280 711 2HA GLY 98 1HA GLY 98 8.355 2.382 -6.610 712 H ARG 99 H ARG 99 9.806 5.562 -5.796 713 HA ARG 99 HA ARG 99 9.705 4.906 -2.948 714 1HB ARG 99 2HB ARG 99 11.545 6.253 -3.981 715 2HB ARG 99 1HB ARG 99 10.381 7.539 -4.295 716 1HG ARG 99 2HG ARG 99 10.090 8.013 -2.013 717 2HG ARG 99 1HG ARG 99 10.705 6.441 -1.504 718 1HD ARG 99 2HD ARG 99 12.390 8.582 -2.830 719 2HD ARG 99 1HD ARG 99 12.317 8.305 -1.089 720 HE ARG 99 HE ARG 99 12.961 5.817 -2.159 721 1HH1 ARG 99 1HH2 ARG 99 14.221 9.024 -2.178 722 2HH1 ARG 99 2HH2 ARG 99 15.848 8.526 -2.502 723 1HH2 ARG 99 1HH1 ARG 99 15.079 5.150 -2.598 724 2HH2 ARG 99 2HH1 ARG 99 16.330 6.338 -2.751 725 H ALA 100 H ALA 100 7.364 5.954 -5.084 726 HA ALA 100 HA ALA 100 5.222 6.843 -4.701 727 1HB ALA 100 1HB ALA 100 5.667 6.974 -1.740 728 2HB ALA 100 2HB ALA 100 5.730 5.384 -2.497 729 3HB ALA 100 3HB ALA 100 4.275 6.365 -2.644 730 H GLY 101 H GLY 101 8.073 8.337 -4.060 731 1HA GLY 101 2HA GLY 101 8.649 10.607 -4.057 732 2HA GLY 101 1HA GLY 101 6.945 10.978 -4.305 733 H ASN 102 H ASN 102 8.458 9.204 -1.611 734 HA ASN 102 HA ASN 102 6.983 10.860 0.308 735 1HB ASN 102 2HB ASN 102 7.547 8.318 0.470 736 2HB ASN 102 1HB ASN 102 9.129 8.862 1.029 737 1HD2 ASN 102 1HD2 ASN 102 8.155 11.224 2.475 738 2HD2 ASN 102 2HD2 ASN 102 7.300 10.663 3.830 739 H GLN 103 H GLN 103 9.251 11.939 -1.437 740 HA GLN 103 HA GLN 103 10.934 13.087 0.766 741 1HB GLN 103 2HB GLN 103 12.117 11.580 -0.917 742 2HB GLN 103 1HB GLN 103 11.717 12.789 -2.143 743 1HG GLN 103 2HG GLN 103 12.871 14.518 -0.758 744 2HG GLN 103 1HG GLN 103 13.376 13.249 0.358 745 1HE2 GLN 103 1HE2 GLN 103 13.562 14.091 -3.148 746 2HE2 GLN 103 2HE2 GLN 103 15.089 13.388 -3.388 747 H LYS 104 H LYS 104 8.941 13.623 -2.022 748 HA LYS 104 HA LYS 104 9.646 16.471 -2.197 749 1HB LYS 104 2HB LYS 104 9.176 15.461 -4.306 750 2HB LYS 104 1HB LYS 104 7.720 14.675 -3.698 751 1HG LYS 104 2HG LYS 104 6.514 16.744 -3.598 752 2HG LYS 104 1HG LYS 104 7.993 17.691 -3.786 753 1HD LYS 104 2HD LYS 104 8.251 16.637 -6.079 754 2HD LYS 104 1HD LYS 104 6.628 15.972 -5.869 755 1HE LYS 104 2HE LYS 104 6.519 18.093 -7.099 756 2HE LYS 104 1HE LYS 104 5.754 18.272 -5.521 757 1HZ LYS 104 1HZ LYS 104 8.556 18.816 -5.446 758 2HZ LYS 104 2HZ LYS 104 7.251 19.764 -4.908 759 3HZ LYS 104 3HZ LYS 104 7.741 19.832 -6.534 760 H GLY 105 H GLY 105 6.409 15.034 -2.201 761 1HA GLY 105 2HA GLY 105 5.457 17.199 -0.431 762 2HA GLY 105 1HA GLY 105 4.451 16.052 -1.316 763 H GLY 106 H GLY 106 7.167 15.443 0.896 764 1HA GLY 106 2HA GLY 106 5.432 13.594 2.450 765 2HA GLY 106 1HA GLY 106 7.199 13.642 2.500 Start of MODEL 7 1 1H ALA 1 1HT ALA 1 8.912 -40.547 -3.795 2 2H ALA 1 2HT ALA 1 8.706 -40.751 -2.119 3 3H ALA 1 3HT ALA 1 8.939 -39.199 -2.767 4 HA ALA 1 HA ALA 1 6.737 -40.376 -4.052 5 1HB ALA 1 1HB ALA 1 5.256 -40.575 -2.051 6 2HB ALA 1 2HB ALA 1 6.676 -40.398 -1.018 7 3HB ALA 1 3HB ALA 1 6.526 -41.799 -2.078 8 H ASP 2 H ASP 2 5.028 -38.760 -4.100 9 HA ASP 2 HA ASP 2 6.042 -36.059 -3.818 10 1HB ASP 2 2HB ASP 2 3.161 -36.843 -4.292 11 2HB ASP 2 1HB ASP 2 3.978 -35.361 -4.793 12 H LEU 3 H LEU 3 6.357 -35.435 -1.678 13 HA LEU 3 HA LEU 3 4.291 -36.023 0.343 14 1HB LEU 3 2HB LEU 3 6.740 -34.281 0.706 15 2HB LEU 3 1HB LEU 3 5.832 -35.151 1.943 16 HG LEU 3 HG LEU 3 7.609 -36.326 -0.209 17 1HD1 LEU 3 1HD1 LEU 3 8.815 -37.241 1.721 18 2HD1 LEU 3 2HD1 LEU 3 7.630 -36.535 2.820 19 3HD1 LEU 3 3HD1 LEU 3 8.686 -35.489 1.870 20 1HD2 LEU 3 1HD2 LEU 3 5.780 -37.831 -0.165 21 2HD2 LEU 3 2HD2 LEU 3 5.530 -37.617 1.568 22 3HD2 LEU 3 3HD2 LEU 3 6.920 -38.529 0.985 23 H GLU 4 H GLU 4 3.840 -34.150 -2.017 24 HA GLU 4 HA GLU 4 3.629 -31.499 -0.797 25 1HB GLU 4 2HB GLU 4 2.419 -32.519 -3.384 26 2HB GLU 4 1HB GLU 4 2.627 -30.833 -2.917 27 1HG GLU 4 2HG GLU 4 4.882 -32.826 -3.308 28 2HG GLU 4 1HG GLU 4 4.421 -31.575 -4.462 29 H ASP 5 H ASP 5 1.990 -34.165 -0.077 30 HA ASP 5 HA ASP 5 -0.757 -33.155 -0.296 31 1HB ASP 5 2HB ASP 5 -1.333 -35.198 1.005 32 2HB ASP 5 1HB ASP 5 -0.357 -35.572 -0.416 33 H ASN 6 H ASN 6 1.407 -31.694 1.262 34 HA ASN 6 HA ASN 6 0.362 -31.833 4.037 35 1HB ASN 6 2HB ASN 6 2.524 -29.962 3.068 36 2HB ASN 6 1HB ASN 6 2.283 -30.630 4.683 37 1HD2 ASN 6 1HD2 ASN 6 4.655 -30.808 2.751 38 2HD2 ASN 6 2HD2 ASN 6 4.971 -32.471 2.630 39 H ASP 7 H ASP 7 -0.801 -30.156 4.992 40 HA ASP 7 HA ASP 7 -1.776 -28.000 3.185 41 1HB ASP 7 2HB ASP 7 -2.701 -28.921 5.929 42 2HB ASP 7 1HB ASP 7 -3.406 -27.566 5.048 43 H GLU 8 H GLU 8 0.461 -27.017 3.368 44 HA GLU 8 HA GLU 8 1.937 -25.434 4.250 45 1HB GLU 8 2HB GLU 8 -0.548 -24.662 5.803 46 2HB GLU 8 1HB GLU 8 0.925 -23.701 5.715 47 1HG GLU 8 2HG GLU 8 0.660 -23.269 3.407 48 2HG GLU 8 1HG GLU 8 -0.513 -24.572 3.211 49 H THR 9 H THR 9 0.766 -27.950 6.025 50 HA THR 9 HA THR 9 1.214 -28.836 8.136 51 HB THR 9 HB THR 9 3.271 -29.330 6.903 52 HG1 THR 9 1HG THR 9 3.090 -28.931 9.576 53 1HG2 THR 9 1HG2 THR 9 4.083 -27.159 6.266 54 2HG2 THR 9 2HG2 THR 9 5.285 -27.860 7.345 55 3HG2 THR 9 3HG2 THR 9 4.176 -26.634 7.947 56 H GLY 10 H GLY 10 0.278 -26.076 8.203 57 1HA GLY 10 2HA GLY 10 1.136 -25.476 10.963 58 2HA GLY 10 1HA GLY 10 1.421 -24.201 9.773 59 H ASN 11 H ASN 11 -1.296 -26.462 9.790 60 HA ASN 11 HA ASN 11 -3.157 -24.183 9.694 61 1HB ASN 11 2HB ASN 11 -4.858 -25.839 9.207 62 2HB ASN 11 1HB ASN 11 -3.432 -26.225 8.243 63 1HD2 ASN 11 1HD2 ASN 11 -5.533 -28.121 9.140 64 2HD2 ASN 11 2HD2 ASN 11 -4.740 -29.287 10.084 65 H ASP 12 H ASP 12 -1.673 -25.995 12.075 66 HA ASP 12 HA ASP 12 -3.942 -25.797 13.988 67 1HB ASP 12 2HB ASP 12 -1.238 -27.150 14.091 68 2HB ASP 12 1HB ASP 12 -2.261 -26.982 15.517 69 H ASN 13 H ASN 13 -1.116 -24.174 12.982 70 HA ASN 13 HA ASN 13 -0.652 -22.796 15.536 71 1HB ASN 13 2HB ASN 13 0.500 -22.422 12.758 72 2HB ASN 13 1HB ASN 13 0.982 -21.463 14.158 73 1HD2 ASN 13 1HD2 ASN 13 2.659 -22.306 15.395 74 2HD2 ASN 13 2HD2 ASN 13 3.191 -23.915 15.339 75 H GLY 14 H GLY 14 -1.484 -21.740 12.232 76 1HA GLY 14 2HA GLY 14 -2.786 -19.928 11.506 77 2HA GLY 14 1HA GLY 14 -3.743 -20.190 12.968 78 H LYS 15 H LYS 15 -0.418 -19.686 13.538 79 HA LYS 15 HA LYS 15 -0.659 -16.760 13.831 80 1HB LYS 15 2HB LYS 15 -0.179 -16.788 16.214 81 2HB LYS 15 1HB LYS 15 -1.630 -17.739 15.908 82 1HG LYS 15 2HG LYS 15 0.278 -19.694 15.675 83 2HG LYS 15 1HG LYS 15 1.060 -18.634 16.847 84 1HD LYS 15 2HD LYS 15 -1.753 -19.729 17.117 85 2HD LYS 15 1HD LYS 15 -0.334 -20.394 17.918 86 1HE LYS 15 2HE LYS 15 -1.301 -17.538 18.246 87 2HE LYS 15 1HE LYS 15 -1.633 -18.839 19.386 88 1HZ LYS 15 1HZ LYS 15 0.322 -17.429 19.944 89 2HZ LYS 15 2HZ LYS 15 1.099 -18.038 18.562 90 3HZ LYS 15 3HZ LYS 15 0.668 -19.085 19.830 91 H GLY 16 H GLY 16 1.023 -17.988 12.068 92 1HA GLY 16 2HA GLY 16 3.670 -18.331 13.374 93 2HA GLY 16 1HA GLY 16 3.309 -18.645 11.677 94 H GLY 17 H GLY 17 2.102 -16.248 10.928 95 1HA GLY 17 2HA GLY 17 2.521 -13.955 10.513 96 2HA GLY 17 1HA GLY 17 3.779 -13.995 11.751 97 H GLU 18 H GLU 18 4.568 -16.574 10.033 98 HA GLU 18 HA GLU 18 5.839 -15.226 7.730 99 1HB GLU 18 2HB GLU 18 7.360 -15.055 9.814 100 2HB GLU 18 1HB GLU 18 7.558 -16.801 9.657 101 1HG GLU 18 2HG GLU 18 8.169 -16.298 7.182 102 2HG GLU 18 1HG GLU 18 8.384 -14.633 7.725 103 H LYS 19 H LYS 19 3.871 -16.946 7.398 104 HA LYS 19 HA LYS 19 4.693 -19.735 7.380 105 1HB LYS 19 2HB LYS 19 2.579 -20.091 6.189 106 2HB LYS 19 1HB LYS 19 2.328 -19.022 7.569 107 1HG LYS 19 2HG LYS 19 2.621 -17.069 5.970 108 2HG LYS 19 1HG LYS 19 2.562 -18.239 4.645 109 1HD LYS 19 2HD LYS 19 0.329 -18.910 5.227 110 2HD LYS 19 1HD LYS 19 0.392 -18.034 6.755 111 1HE LYS 19 2HE LYS 19 0.280 -15.927 5.689 112 2HE LYS 19 1HE LYS 19 0.711 -16.598 4.118 113 1HZ LYS 19 1HZ LYS 19 -1.825 -16.989 5.608 114 2HZ LYS 19 2HZ LYS 19 -1.409 -17.869 4.216 115 3HZ LYS 19 3HZ LYS 19 -1.616 -16.184 4.128 116 H ALA 20 H ALA 20 5.085 -17.074 5.216 117 HA ALA 20 HA ALA 20 5.902 -16.972 2.997 118 1HB ALA 20 1HB ALA 20 7.189 -19.653 3.494 119 2HB ALA 20 2HB ALA 20 7.747 -18.229 4.367 120 3HB ALA 20 3HB ALA 20 7.817 -18.265 2.606 121 H ASP 21 H ASP 21 3.376 -17.628 2.748 122 HA ASP 21 HA ASP 21 2.847 -20.304 1.799 123 1HB ASP 21 2HB ASP 21 1.118 -18.562 2.624 124 2HB ASP 21 1HB ASP 21 1.230 -17.879 1.005 125 H ASN 22 H ASN 22 4.697 -17.926 0.600 126 HA ASN 22 HA ASN 22 5.881 -17.851 -1.410 127 1HB ASN 22 2HB ASN 22 5.138 -20.376 -1.499 128 2HB ASN 22 1HB ASN 22 4.026 -19.811 -2.742 129 1HD2 ASN 22 1HD2 ASN 22 5.319 -18.164 -4.354 130 2HD2 ASN 22 2HD2 ASN 22 6.785 -18.799 -4.919 131 H ALA 23 H ALA 23 2.754 -16.954 -0.965 132 HA ALA 23 HA ALA 23 2.855 -14.985 -3.061 133 1HB ALA 23 1HB ALA 23 0.911 -15.814 -4.396 134 2HB ALA 23 2HB ALA 23 0.944 -17.314 -3.468 135 3HB ALA 23 3HB ALA 23 2.303 -16.890 -4.508 136 H ALA 24 H ALA 24 0.795 -16.792 -0.789 137 HA ALA 24 HA ALA 24 -1.318 -14.882 -0.654 138 1HB ALA 24 1HB ALA 24 -0.387 -16.410 1.779 139 2HB ALA 24 2HB ALA 24 -1.131 -17.259 0.424 140 3HB ALA 24 3HB ALA 24 -2.031 -16.012 1.283 141 H GLN 25 H GLN 25 1.513 -15.273 1.482 142 HA GLN 25 HA GLN 25 1.064 -12.905 2.974 143 1HB GLN 25 2HB GLN 25 3.447 -13.077 3.639 144 2HB GLN 25 1HB GLN 25 2.558 -14.576 3.820 145 1HG GLN 25 2HG GLN 25 4.878 -13.974 2.061 146 2HG GLN 25 1HG GLN 25 4.402 -15.449 2.841 147 1HE2 GLN 25 1HE2 GLN 25 3.041 -16.913 1.711 148 2HE2 GLN 25 2HE2 GLN 25 2.672 -16.726 0.073 149 H VAL 26 H VAL 26 2.570 -13.316 -0.179 150 HA VAL 26 HA VAL 26 3.635 -10.605 -0.185 151 HB VAL 26 HB VAL 26 3.364 -12.759 -2.276 152 1HG1 VAL 26 1HG1 VAL 26 2.880 -10.811 -3.571 153 2HG1 VAL 26 2HG1 VAL 26 4.599 -11.114 -3.802 154 3HG1 VAL 26 3HG1 VAL 26 4.067 -9.845 -2.698 155 1HG2 VAL 26 1HG2 VAL 26 5.662 -11.275 -0.962 156 2HG2 VAL 26 2HG2 VAL 26 5.872 -12.297 -2.375 157 3HG2 VAL 26 3HG2 VAL 26 5.287 -12.997 -0.866 158 H LYS 27 H LYS 27 0.790 -12.192 -1.668 159 HA LYS 27 HA LYS 27 -0.176 -9.856 -2.991 160 1HB LYS 27 2HB LYS 27 -1.572 -12.319 -1.928 161 2HB LYS 27 1HB LYS 27 -2.449 -11.040 -2.768 162 1HG LYS 27 2HG LYS 27 -1.372 -11.441 -4.806 163 2HG LYS 27 1HG LYS 27 0.020 -12.208 -4.041 164 1HD LYS 27 2HD LYS 27 -1.437 -13.854 -5.202 165 2HD LYS 27 1HD LYS 27 -1.326 -14.166 -3.472 166 1HE LYS 27 2HE LYS 27 -3.671 -14.307 -4.388 167 2HE LYS 27 1HE LYS 27 -3.483 -13.148 -3.074 168 1HZ LYS 27 1HZ LYS 27 -4.480 -12.651 -5.588 169 2HZ LYS 27 2HZ LYS 27 -2.934 -11.945 -5.589 170 3HZ LYS 27 3HZ LYS 27 -4.075 -11.500 -4.410 171 H ASP 28 H ASP 28 -0.937 -11.154 0.252 172 HA ASP 28 HA ASP 28 -2.787 -9.138 1.005 173 1HB ASP 28 2HB ASP 28 -0.749 -10.429 2.837 174 2HB ASP 28 1HB ASP 28 -2.330 -9.784 3.281 175 H ALA 29 H ALA 29 0.711 -9.173 0.832 176 HA ALA 29 HA ALA 29 1.179 -6.753 2.290 177 1HB ALA 29 1HB ALA 29 2.826 -8.650 1.479 178 2HB ALA 29 2HB ALA 29 3.404 -6.985 1.605 179 3HB ALA 29 3HB ALA 29 2.953 -7.645 0.032 180 H LEU 30 H LEU 30 0.948 -7.402 -1.225 181 HA LEU 30 HA LEU 30 1.164 -4.685 -1.978 182 1HB LEU 30 2HB LEU 30 -0.516 -6.699 -3.454 183 2HB LEU 30 1HB LEU 30 0.333 -5.310 -4.117 184 HG LEU 30 HG LEU 30 1.755 -7.628 -2.791 185 1HD1 LEU 30 1HD1 LEU 30 1.121 -7.123 -5.710 186 2HD1 LEU 30 2HD1 LEU 30 0.598 -8.497 -4.737 187 3HD1 LEU 30 3HD1 LEU 30 2.301 -8.306 -5.148 188 1HD2 LEU 30 1HD2 LEU 30 3.106 -5.629 -2.857 189 2HD2 LEU 30 2HD2 LEU 30 2.638 -5.307 -4.526 190 3HD2 LEU 30 3HD2 LEU 30 3.674 -6.684 -4.150 191 H THR 31 H THR 31 -1.786 -6.651 -1.481 192 HA THR 31 HA THR 31 -3.637 -4.530 -1.904 193 HB THR 31 HB THR 31 -5.103 -5.982 -0.293 194 HG1 THR 31 1HG THR 31 -2.726 -7.042 0.063 195 1HG2 THR 31 1HG2 THR 31 -3.942 -6.861 -2.934 196 2HG2 THR 31 2HG2 THR 31 -5.541 -6.196 -2.601 197 3HG2 THR 31 3HG2 THR 31 -5.150 -7.840 -2.101 198 H LYS 32 H LYS 32 -1.772 -5.443 0.952 199 HA LYS 32 HA LYS 32 -3.169 -3.808 2.833 200 1HB LYS 32 2HB LYS 32 -1.527 -5.442 3.592 201 2HB LYS 32 1HB LYS 32 -0.242 -4.617 2.719 202 1HG LYS 32 2HG LYS 32 -1.701 -2.834 4.586 203 2HG LYS 32 1HG LYS 32 -0.905 -4.178 5.394 204 1HD LYS 32 2HD LYS 32 1.231 -3.577 4.395 205 2HD LYS 32 1HD LYS 32 0.470 -2.303 3.446 206 1HE LYS 32 2HE LYS 32 0.606 -2.430 6.471 207 2HE LYS 32 1HE LYS 32 1.540 -1.346 5.438 208 1HZ LYS 32 1HZ LYS 32 -1.390 -1.379 5.870 209 2HZ LYS 32 2HZ LYS 32 -0.667 -0.540 4.582 210 3HZ LYS 32 3HZ LYS 32 -0.302 -0.118 6.189 211 H MET 33 H MET 33 -0.256 -3.131 0.861 212 HA MET 33 HA MET 33 -0.054 -0.362 1.549 213 1HB MET 33 2HB MET 33 0.707 -1.686 -1.070 214 2HB MET 33 1HB MET 33 1.314 -0.142 -0.471 215 1HG MET 33 2HG MET 33 2.124 -1.456 1.586 216 2HG MET 33 1HG MET 33 1.833 -2.905 0.628 217 1HE MET 33 1HE MET 33 4.313 -3.905 -0.108 218 2HE MET 33 2HE MET 33 4.179 -3.155 1.479 219 3HE MET 33 3HE MET 33 5.578 -2.808 0.467 220 H ARG 34 H ARG 34 -1.974 -2.063 -0.890 221 HA ARG 34 HA ARG 34 -2.768 0.151 -2.471 222 1HB ARG 34 2HB ARG 34 -3.309 -2.167 -3.095 223 2HB ARG 34 1HB ARG 34 -4.375 -2.307 -1.700 224 1HG ARG 34 2HG ARG 34 -5.891 -0.688 -2.562 225 2HG ARG 34 1HG ARG 34 -4.758 -0.195 -3.823 226 1HD ARG 34 2HD ARG 34 -4.940 -2.420 -4.870 227 2HD ARG 34 1HD ARG 34 -6.054 -2.931 -3.603 228 HE ARG 34 HE ARG 34 -7.144 -0.592 -4.751 229 1HH1 ARG 34 1HH2 ARG 34 -6.242 -3.799 -5.652 230 2HH1 ARG 34 2HH2 ARG 34 -7.491 -3.962 -6.841 231 1HH2 ARG 34 1HH1 ARG 34 -8.793 -0.793 -6.306 232 2HH2 ARG 34 2HH1 ARG 34 -8.933 -2.263 -7.208 233 H ALA 35 H ALA 35 -4.695 -1.290 0.188 234 HA ALA 35 HA ALA 35 -6.529 0.891 0.277 235 1HB ALA 35 1HB ALA 35 -5.770 -0.938 2.562 236 2HB ALA 35 2HB ALA 35 -6.936 -1.343 1.303 237 3HB ALA 35 3HB ALA 35 -7.257 -0.004 2.408 238 H ALA 36 H ALA 36 -3.328 0.523 1.635 239 HA ALA 36 HA ALA 36 -3.518 2.528 3.673 240 1HB ALA 36 1HB ALA 36 -1.109 1.701 2.030 241 2HB ALA 36 2HB ALA 36 -1.613 0.982 3.558 242 3HB ALA 36 3HB ALA 36 -1.055 2.655 3.512 243 H ALA 37 H ALA 37 -2.229 2.788 0.326 244 HA ALA 37 HA ALA 37 -1.886 5.614 0.395 245 1HB ALA 37 1HB ALA 37 -2.525 3.807 -1.957 246 2HB ALA 37 2HB ALA 37 -0.911 4.230 -1.385 247 3HB ALA 37 3HB ALA 37 -1.949 5.470 -2.088 248 H LEU 38 H LEU 38 -4.668 3.612 -0.609 249 HA LEU 38 HA LEU 38 -6.305 5.824 -1.417 250 1HB LEU 38 2HB LEU 38 -7.029 3.064 -0.405 251 2HB LEU 38 1HB LEU 38 -8.213 4.204 -1.031 252 HG LEU 38 HG LEU 38 -5.775 3.382 -2.632 253 1HD1 LEU 38 1HD1 LEU 38 -7.159 1.710 -3.749 254 2HD1 LEU 38 2HD1 LEU 38 -8.533 2.128 -2.725 255 3HD1 LEU 38 3HD1 LEU 38 -7.105 1.369 -2.019 256 1HD2 LEU 38 1HD2 LEU 38 -8.429 4.703 -3.270 257 2HD2 LEU 38 2HD2 LEU 38 -7.423 3.981 -4.522 258 3HD2 LEU 38 3HD2 LEU 38 -6.806 5.322 -3.568 259 H ASP 39 H ASP 39 -6.407 3.937 1.629 260 HA ASP 39 HA ASP 39 -8.244 5.657 2.944 261 1HB ASP 39 2HB ASP 39 -7.352 3.374 3.721 262 2HB ASP 39 1HB ASP 39 -5.959 4.259 4.348 263 H ALA 40 H ALA 40 -4.720 5.873 2.649 264 HA ALA 40 HA ALA 40 -4.470 8.096 4.470 265 1HB ALA 40 1HB ALA 40 -2.637 7.110 2.266 266 2HB ALA 40 2HB ALA 40 -2.517 6.730 3.984 267 3HB ALA 40 3HB ALA 40 -2.214 8.372 3.420 268 H GLN 41 H GLN 41 -5.756 7.796 1.363 269 HA GLN 41 HA GLN 41 -4.960 10.284 0.222 270 1HB GLN 41 2HB GLN 41 -6.525 9.820 -1.456 271 2HB GLN 41 1HB GLN 41 -6.157 8.210 -0.850 272 1HG GLN 41 2HG GLN 41 -8.226 8.745 0.783 273 2HG GLN 41 1HG GLN 41 -8.651 9.826 -0.513 274 1HE2 GLN 41 1HE2 GLN 41 -9.383 6.832 0.508 275 2HE2 GLN 41 2HE2 GLN 41 -9.665 6.066 -0.979 276 H LYS 42 H LYS 42 -7.565 11.371 -0.305 277 HA LYS 42 HA LYS 42 -7.883 12.907 2.171 278 1HB LYS 42 2HB LYS 42 -8.929 14.566 0.943 279 2HB LYS 42 1HB LYS 42 -7.902 13.840 -0.276 280 1HG LYS 42 2HG LYS 42 -10.899 13.529 0.045 281 2HG LYS 42 1HG LYS 42 -10.010 14.207 -1.298 282 1HD LYS 42 2HD LYS 42 -8.928 11.831 -1.460 283 2HD LYS 42 1HD LYS 42 -10.348 11.324 -0.540 284 1HE LYS 42 2HE LYS 42 -11.033 11.062 -2.774 285 2HE LYS 42 1HE LYS 42 -11.701 12.633 -2.335 286 1HZ LYS 42 1HZ LYS 42 -10.430 13.627 -3.841 287 2HZ LYS 42 2HZ LYS 42 -9.998 12.091 -4.424 288 3HZ LYS 42 3HZ LYS 42 -9.025 12.870 -3.270 289 H ALA 43 H ALA 43 -8.552 10.271 2.539 290 HA ALA 43 HA ALA 43 -11.551 10.225 2.686 291 1HB ALA 43 1HB ALA 43 -11.123 7.758 3.265 292 2HB ALA 43 2HB ALA 43 -9.458 8.046 2.763 293 3HB ALA 43 3HB ALA 43 -10.773 8.248 1.608 294 H THR 44 H THR 44 -8.671 9.387 4.556 295 HA THR 44 HA THR 44 -9.973 10.390 7.029 296 HB THR 44 HB THR 44 -8.433 7.775 6.830 297 HG1 THR 44 1HG THR 44 -10.984 8.323 6.328 298 1HG2 THR 44 1HG2 THR 44 -9.638 9.346 9.100 299 2HG2 THR 44 2HG2 THR 44 -8.078 8.527 9.015 300 3HG2 THR 44 3HG2 THR 44 -9.557 7.588 9.197 301 HA PRO 45 HA PRO 45 -5.767 12.048 5.394 302 1HB PRO 45 2HB PRO 45 -7.091 14.126 7.133 303 2HB PRO 45 1HB PRO 45 -6.045 14.353 5.716 304 1HG PRO 45 2HG PRO 45 -8.725 14.477 5.539 305 2HG PRO 45 1HG PRO 45 -7.715 13.854 4.232 306 1HD PRO 45 2HD PRO 45 -9.586 12.380 5.958 307 2HD PRO 45 1HD PRO 45 -8.803 11.851 4.453 308 HA PRO 46 HA PRO 46 -4.510 10.903 9.677 309 1HB PRO 46 2HB PRO 46 -2.358 9.319 8.981 310 2HB PRO 46 1HB PRO 46 -4.024 8.727 9.097 311 1HG PRO 46 2HG PRO 46 -2.389 9.204 6.704 312 2HG PRO 46 1HG PRO 46 -3.845 8.221 6.894 313 1HD PRO 46 2HD PRO 46 -3.649 10.873 5.760 314 2HD PRO 46 1HD PRO 46 -5.110 9.888 5.965 315 H LYS 47 H LYS 47 -1.410 10.660 8.079 316 HA LYS 47 HA LYS 47 -0.257 12.706 9.697 317 1HB LYS 47 2HB LYS 47 1.640 12.579 7.980 318 2HB LYS 47 1HB LYS 47 1.222 11.075 8.801 319 1HG LYS 47 2HG LYS 47 0.049 10.237 6.918 320 2HG LYS 47 1HG LYS 47 -0.015 11.824 6.151 321 1HD LYS 47 2HD LYS 47 1.700 10.336 5.110 322 2HD LYS 47 1HD LYS 47 2.408 11.796 5.800 323 1HE LYS 47 2HE LYS 47 3.222 10.623 7.705 324 2HE LYS 47 1HE LYS 47 2.235 9.205 7.349 325 1HZ LYS 47 1HZ LYS 47 3.532 8.882 5.326 326 2HZ LYS 47 2HZ LYS 47 4.522 8.843 6.706 327 3HZ LYS 47 3HZ LYS 47 4.495 10.222 5.713 328 H LEU 48 H LEU 48 -2.170 12.925 6.851 329 HA LEU 48 HA LEU 48 -1.098 15.489 5.945 330 1HB LEU 48 2HB LEU 48 -3.754 14.168 5.295 331 2HB LEU 48 1HB LEU 48 -3.046 15.532 4.441 332 HG LEU 48 HG LEU 48 -1.669 12.840 4.678 333 1HD1 LEU 48 1HD1 LEU 48 -2.460 12.587 2.259 334 2HD1 LEU 48 2HD1 LEU 48 -3.591 13.898 2.593 335 3HD1 LEU 48 3HD1 LEU 48 -3.699 12.387 3.499 336 1HD2 LEU 48 1HD2 LEU 48 -1.237 15.340 3.025 337 2HD2 LEU 48 2HD2 LEU 48 -0.566 13.783 2.538 338 3HD2 LEU 48 3HD2 LEU 48 -0.086 14.508 4.071 339 H GLU 49 H GLU 49 -1.239 16.910 7.675 340 HA GLU 49 HA GLU 49 -3.953 17.882 8.349 341 1HB GLU 49 2HB GLU 49 -3.130 16.144 10.081 342 2HB GLU 49 1HB GLU 49 -1.945 17.360 10.550 343 1HG GLU 49 2HG GLU 49 -3.846 18.975 10.914 344 2HG GLU 49 1HG GLU 49 -4.963 17.645 10.607 345 H ASP 50 H ASP 50 -1.880 18.922 6.705 346 HA ASP 50 HA ASP 50 -1.624 21.587 7.759 347 1HB ASP 50 2HB ASP 50 0.103 20.517 9.165 348 2HB ASP 50 1HB ASP 50 0.887 19.880 7.720 349 H LYS 51 H LYS 51 -2.427 20.117 5.357 350 HA LYS 51 HA LYS 51 -0.889 21.678 3.364 351 1HB LYS 51 2HB LYS 51 -1.315 18.678 3.137 352 2HB LYS 51 1HB LYS 51 -0.600 19.712 1.899 353 1HG LYS 51 2HG LYS 51 1.178 20.355 3.555 354 2HG LYS 51 1HG LYS 51 0.513 19.156 4.661 355 1HD LYS 51 2HD LYS 51 0.833 17.433 2.836 356 2HD LYS 51 1HD LYS 51 1.724 18.658 1.935 357 1HE LYS 51 2HE LYS 51 3.314 17.305 3.187 358 2HE LYS 51 1HE LYS 51 3.259 18.918 3.894 359 1HZ LYS 51 1HZ LYS 51 3.019 17.692 5.765 360 2HZ LYS 51 2HZ LYS 51 2.295 16.382 4.964 361 3HZ LYS 51 3HZ LYS 51 1.385 17.768 5.325 362 H SER 52 H SER 52 -3.334 19.028 3.277 363 HA SER 52 HA SER 52 -5.438 19.030 2.179 364 1HB SER 52 2HB SER 52 -5.332 21.003 4.127 365 2HB SER 52 1HB SER 52 -5.902 21.900 2.730 366 HG SER 52 HG SER 52 -7.203 20.145 4.292 367 HA PRO 53 HA PRO 53 -5.333 20.809 -1.879 368 1HB PRO 53 2HB PRO 53 -7.607 22.702 -1.394 369 2HB PRO 53 1HB PRO 53 -7.437 21.433 -2.627 370 1HG PRO 53 2HG PRO 53 -9.035 21.040 -0.574 371 2HG PRO 53 1HG PRO 53 -7.969 19.731 -1.125 372 1HD PRO 53 2HD PRO 53 -7.593 21.577 1.220 373 2HD PRO 53 1HD PRO 53 -7.382 19.809 1.131 374 H ASP 54 H ASP 54 -3.682 22.130 0.026 375 HA ASP 54 HA ASP 54 -3.672 24.979 -0.888 376 1HB ASP 54 2HB ASP 54 -3.760 24.356 1.621 377 2HB ASP 54 1HB ASP 54 -2.086 23.822 1.427 378 H SER 55 H SER 55 -1.154 22.743 0.289 379 HA SER 55 HA SER 55 0.795 23.772 -1.560 380 1HB SER 55 2HB SER 55 1.221 21.072 -0.348 381 2HB SER 55 1HB SER 55 2.283 22.481 -0.343 382 HG SER 55 HG SER 55 0.381 23.323 1.054 383 HA PRO 56 HA PRO 56 0.454 21.094 -5.120 384 1HB PRO 56 2HB PRO 56 2.639 19.189 -4.434 385 2HB PRO 56 1HB PRO 56 2.471 20.254 -5.843 386 1HG PRO 56 2HG PRO 56 4.212 20.781 -3.895 387 2HG PRO 56 1HG PRO 56 3.350 22.070 -4.752 388 1HD PRO 56 2HD PRO 56 2.854 20.968 -2.007 389 2HD PRO 56 1HD PRO 56 2.754 22.644 -2.591 390 H GLU 57 H GLU 57 -0.794 20.115 -2.516 391 HA GLU 57 HA GLU 57 -0.789 17.245 -2.518 392 1HB GLU 57 2HB GLU 57 -1.506 18.332 -0.528 393 2HB GLU 57 1HB GLU 57 -2.675 19.323 -1.397 394 1HG GLU 57 2HG GLU 57 -4.104 17.426 -1.798 395 2HG GLU 57 1HG GLU 57 -2.868 16.303 -1.227 396 H MET 58 H MET 58 -2.914 19.634 -4.070 397 HA MET 58 HA MET 58 -4.882 17.801 -5.030 398 1HB MET 58 2HB MET 58 -4.903 20.393 -4.958 399 2HB MET 58 1HB MET 58 -4.073 20.307 -6.509 400 1HG MET 58 2HG MET 58 -6.066 18.602 -7.071 401 2HG MET 58 1HG MET 58 -6.885 19.528 -5.820 402 1HE MET 58 1HE MET 58 -7.954 22.653 -7.357 403 2HE MET 58 2HE MET 58 -7.104 22.209 -5.878 404 3HE MET 58 3HE MET 58 -8.402 21.183 -6.480 405 H LYS 59 H LYS 59 -2.089 16.819 -5.644 406 HA LYS 59 HA LYS 59 -2.690 15.935 -8.316 407 1HB LYS 59 2HB LYS 59 -0.557 16.911 -9.328 408 2HB LYS 59 1HB LYS 59 -1.941 17.972 -9.168 409 1HG LYS 59 2HG LYS 59 -0.523 19.416 -8.125 410 2HG LYS 59 1HG LYS 59 -0.684 18.370 -6.729 411 1HD LYS 59 2HD LYS 59 1.611 18.382 -6.930 412 2HD LYS 59 1HD LYS 59 1.259 16.999 -7.944 413 1HE LYS 59 2HE LYS 59 2.604 18.211 -9.405 414 2HE LYS 59 1HE LYS 59 1.023 18.877 -9.835 415 1HZ LYS 59 1HZ LYS 59 2.814 20.054 -7.781 416 2HZ LYS 59 2HZ LYS 59 1.386 20.728 -8.409 417 3HZ LYS 59 3HZ LYS 59 2.762 20.573 -9.394 418 H ASP 60 H ASP 60 0.226 16.382 -6.184 419 HA ASP 60 HA ASP 60 1.497 14.007 -7.082 420 1HB ASP 60 2HB ASP 60 2.324 13.978 -4.536 421 2HB ASP 60 1HB ASP 60 2.892 15.199 -5.663 422 H PHE 61 H PHE 61 -1.280 14.502 -5.064 423 HA PHE 61 HA PHE 61 -1.341 11.872 -3.881 424 1HB PHE 61 2HB PHE 61 -2.731 13.278 -2.695 425 2HB PHE 61 1HB PHE 61 -3.082 14.265 -4.100 426 HD1 PHE 61 1HD PHE 61 -5.420 14.427 -4.144 427 HD2 PHE 61 2HD PHE 61 -3.583 10.577 -3.625 428 HE1 PHE 61 1HE PHE 61 -7.629 13.359 -4.339 429 HE2 PHE 61 2HE PHE 61 -5.802 9.492 -3.818 430 HZ PHE 61 HZ PHE 61 -7.835 10.883 -4.174 431 H ARG 62 H ARG 62 -2.831 13.426 -6.698 432 HA ARG 62 HA ARG 62 -4.230 11.152 -7.640 433 1HB ARG 62 2HB ARG 62 -2.979 13.302 -9.376 434 2HB ARG 62 1HB ARG 62 -4.367 12.299 -9.776 435 1HG ARG 62 2HG ARG 62 -4.532 13.992 -7.291 436 2HG ARG 62 1HG ARG 62 -4.671 14.794 -8.847 437 1HD ARG 62 2HD ARG 62 -6.539 13.349 -9.472 438 2HD ARG 62 1HD ARG 62 -6.359 12.430 -7.977 439 HE ARG 62 HE ARG 62 -6.722 15.230 -7.405 440 1HH1 ARG 62 1HH2 ARG 62 -8.331 12.358 -8.444 441 2HH1 ARG 62 2HH2 ARG 62 -9.865 12.825 -7.793 442 1HH2 ARG 62 1HH1 ARG 62 -8.725 15.851 -6.545 443 2HH2 ARG 62 2HH1 ARG 62 -10.088 14.798 -6.718 444 H HIS 63 H HIS 63 -1.085 12.441 -8.767 445 HA HIS 63 HA HIS 63 -0.446 10.094 -10.299 446 1HB HIS 63 2HB HIS 63 0.503 12.592 -10.334 447 2HB HIS 63 1HB HIS 63 1.713 11.911 -9.253 448 HD1 HIS 63 1HD HIS 63 3.710 11.118 -10.509 449 HD2 HIS 63 2HD HIS 63 0.220 10.640 -12.740 450 HE1 HIS 63 1HE HIS 63 4.406 10.100 -12.723 451 H GLY 64 H GLY 64 0.448 11.180 -7.039 452 1HA GLY 64 2HA GLY 64 2.382 9.184 -6.480 453 2HA GLY 64 1HA GLY 64 1.449 10.040 -5.257 454 H PHE 65 H PHE 65 -1.113 9.146 -5.640 455 HA PHE 65 HA PHE 65 -0.958 6.465 -4.594 456 1HB PHE 65 2HB PHE 65 -3.084 6.874 -3.868 457 2HB PHE 65 1HB PHE 65 -2.851 8.503 -4.478 458 HD1 PHE 65 1HD PHE 65 -4.330 9.329 -6.132 459 HD2 PHE 65 2HD PHE 65 -3.943 5.103 -5.573 460 HE1 PHE 65 1HE PHE 65 -6.170 8.960 -7.730 461 HE2 PHE 65 2HE PHE 65 -5.786 4.719 -7.191 462 HZ PHE 65 HZ PHE 65 -6.903 6.652 -8.267 463 H ASP 66 H ASP 66 -1.448 7.752 -7.805 464 HA ASP 66 HA ASP 66 -2.594 5.369 -8.964 465 1HB ASP 66 2HB ASP 66 -2.765 7.503 -10.127 466 2HB ASP 66 1HB ASP 66 -1.009 7.634 -10.210 467 H ILE 67 H ILE 67 0.754 6.589 -8.815 468 HA ILE 67 HA ILE 67 1.903 4.394 -10.219 469 HB ILE 67 HB ILE 67 3.074 6.223 -8.100 470 1HG1 ILE 67 2HG1 ILE 67 3.542 6.287 -11.090 471 2HG1 ILE 67 1HG1 ILE 67 2.144 7.098 -10.380 472 1HG2 ILE 67 1HG2 ILE 67 5.222 5.420 -9.578 473 2HG2 ILE 67 2HG2 ILE 67 4.261 3.947 -9.643 474 3HG2 ILE 67 3HG2 ILE 67 4.742 4.623 -8.085 475 1HD1 ILE 67 1HD1 ILE 67 3.516 8.553 -9.092 476 2HD1 ILE 67 2HD1 ILE 67 4.264 8.513 -10.687 477 3HD1 ILE 67 3HD1 ILE 67 4.955 7.570 -9.366 478 H LEU 68 H LEU 68 1.372 4.892 -6.725 479 HA LEU 68 HA LEU 68 2.438 2.410 -5.839 480 1HB LEU 68 2HB LEU 68 0.321 4.278 -4.763 481 2HB LEU 68 1HB LEU 68 0.668 2.761 -3.928 482 HG LEU 68 HG LEU 68 2.824 4.779 -4.639 483 1HD1 LEU 68 1HD1 LEU 68 2.633 5.732 -2.456 484 2HD1 LEU 68 2HD1 LEU 68 1.507 4.483 -1.931 485 3HD1 LEU 68 3HD1 LEU 68 0.992 5.701 -3.099 486 1HD2 LEU 68 1HD2 LEU 68 2.676 2.301 -2.912 487 2HD2 LEU 68 2HD2 LEU 68 3.862 3.554 -2.560 488 3HD2 LEU 68 3HD2 LEU 68 3.888 2.738 -4.115 489 H VAL 69 H VAL 69 -0.924 3.311 -6.638 490 HA VAL 69 HA VAL 69 -1.949 0.637 -6.374 491 HB VAL 69 HB VAL 69 -2.943 3.189 -7.647 492 1HG1 VAL 69 1HG1 VAL 69 -5.157 1.821 -7.917 493 2HG1 VAL 69 2HG1 VAL 69 -4.083 0.422 -7.972 494 3HG1 VAL 69 3HG1 VAL 69 -3.922 1.709 -9.171 495 1HG2 VAL 69 1HG2 VAL 69 -4.695 2.925 -5.912 496 2HG2 VAL 69 2HG2 VAL 69 -3.078 2.945 -5.210 497 3HG2 VAL 69 3HG2 VAL 69 -3.941 1.418 -5.394 498 H GLY 70 H GLY 70 -0.746 2.495 -9.153 499 1HA GLY 70 2HA GLY 70 -1.383 0.554 -11.156 500 2HA GLY 70 1HA GLY 70 -0.143 1.796 -11.309 501 H GLN 71 H GLN 71 1.252 0.747 -8.856 502 HA GLN 71 HA GLN 71 2.883 -1.255 -10.260 503 1HB GLN 71 2HB GLN 71 3.042 0.049 -7.529 504 2HB GLN 71 1HB GLN 71 4.198 -1.159 -8.082 505 1HG GLN 71 2HG GLN 71 5.011 0.227 -9.802 506 2HG GLN 71 1HG GLN 71 3.615 1.294 -9.734 507 1HE2 GLN 71 1HE2 GLN 71 3.351 2.442 -7.440 508 2HE2 GLN 71 2HE2 GLN 71 4.802 2.971 -6.725 509 H ILE 72 H ILE 72 0.507 -1.116 -7.760 510 HA ILE 72 HA ILE 72 0.972 -3.662 -6.573 511 HB ILE 72 HB ILE 72 -1.417 -1.836 -6.821 512 1HG1 ILE 72 2HG1 ILE 72 0.096 -2.719 -4.350 513 2HG1 ILE 72 1HG1 ILE 72 0.693 -1.400 -5.368 514 1HG2 ILE 72 1HG2 ILE 72 -1.279 -4.601 -5.625 515 2HG2 ILE 72 2HG2 ILE 72 -2.544 -3.891 -6.618 516 3HG2 ILE 72 3HG2 ILE 72 -2.356 -3.385 -4.940 517 1HD1 ILE 72 1HD1 ILE 72 -1.156 -1.216 -3.284 518 2HD1 ILE 72 2HD1 ILE 72 -2.132 -1.033 -4.741 519 3HD1 ILE 72 3HD1 ILE 72 -0.764 0.043 -4.451 520 H ASP 73 H ASP 73 -0.889 -2.660 -9.427 521 HA ASP 73 HA ASP 73 -1.942 -5.322 -9.903 522 1HB ASP 73 2HB ASP 73 -2.952 -3.278 -10.935 523 2HB ASP 73 1HB ASP 73 -1.493 -3.083 -11.907 524 H ASP 74 H ASP 74 0.862 -3.447 -11.091 525 HA ASP 74 HA ASP 74 1.865 -5.524 -12.808 526 1HB ASP 74 2HB ASP 74 3.685 -3.570 -11.406 527 2HB ASP 74 1HB ASP 74 3.800 -4.217 -13.043 528 H ALA 75 H ALA 75 2.362 -4.814 -9.367 529 HA ALA 75 HA ALA 75 4.419 -6.842 -9.058 530 1HB ALA 75 1HB ALA 75 4.403 -4.963 -7.531 531 2HB ALA 75 2HB ALA 75 4.056 -6.422 -6.604 532 3HB ALA 75 3HB ALA 75 2.749 -5.320 -7.038 533 H LEU 76 H LEU 76 0.929 -6.673 -8.491 534 HA LEU 76 HA LEU 76 0.717 -9.191 -7.139 535 1HB LEU 76 2HB LEU 76 -1.031 -7.447 -7.080 536 2HB LEU 76 1HB LEU 76 -1.341 -7.691 -8.795 537 HG LEU 76 HG LEU 76 -1.463 -10.183 -7.152 538 1HD1 LEU 76 1HD1 LEU 76 -3.591 -8.042 -6.847 539 2HD1 LEU 76 2HD1 LEU 76 -2.490 -8.579 -5.580 540 3HD1 LEU 76 3HD1 LEU 76 -3.689 -9.692 -6.235 541 1HD2 LEU 76 1HD2 LEU 76 -2.105 -10.181 -9.510 542 2HD2 LEU 76 2HD2 LEU 76 -3.285 -8.902 -9.220 543 3HD2 LEU 76 3HD2 LEU 76 -3.528 -10.503 -8.521 544 H LYS 77 H LYS 77 0.109 -8.341 -10.581 545 HA LYS 77 HA LYS 77 -0.437 -11.002 -11.435 546 1HB LYS 77 2HB LYS 77 0.360 -10.264 -13.695 547 2HB LYS 77 1HB LYS 77 -0.808 -9.160 -12.992 548 1HG LYS 77 2HG LYS 77 0.743 -7.552 -13.556 549 2HG LYS 77 1HG LYS 77 1.504 -8.043 -12.058 550 1HD LYS 77 2HD LYS 77 3.288 -8.172 -13.554 551 2HD LYS 77 1HD LYS 77 2.715 -9.833 -13.546 552 1HE LYS 77 2HE LYS 77 2.540 -7.786 -15.703 553 2HE LYS 77 1HE LYS 77 2.781 -9.528 -15.817 554 1HZ LYS 77 1HZ LYS 77 0.200 -8.321 -15.009 555 2HZ LYS 77 2HZ LYS 77 0.505 -9.923 -15.480 556 3HZ LYS 77 3HZ LYS 77 0.587 -8.668 -16.620 557 H LEU 78 H LEU 78 2.611 -9.252 -11.009 558 HA LEU 78 HA LEU 78 4.327 -11.249 -12.066 559 1HB LEU 78 2HB LEU 78 4.757 -8.770 -11.114 560 2HB LEU 78 1HB LEU 78 5.207 -9.659 -9.670 561 HG LEU 78 HG LEU 78 7.188 -9.278 -11.021 562 1HD1 LEU 78 1HD1 LEU 78 8.048 -11.448 -10.985 563 2HD1 LEU 78 2HD1 LEU 78 6.536 -12.173 -11.533 564 3HD1 LEU 78 3HD1 LEU 78 6.681 -11.575 -9.878 565 1HD2 LEU 78 1HD2 LEU 78 6.294 -10.959 -13.318 566 2HD2 LEU 78 2HD2 LEU 78 7.317 -9.527 -13.296 567 3HD2 LEU 78 3HD2 LEU 78 5.565 -9.353 -13.225 568 H ALA 79 H ALA 79 3.151 -10.699 -8.752 569 HA ALA 79 HA ALA 79 4.425 -12.958 -7.591 570 1HB ALA 79 1HB ALA 79 2.959 -12.661 -5.750 571 2HB ALA 79 2HB ALA 79 1.684 -11.992 -6.768 572 3HB ALA 79 3HB ALA 79 3.131 -11.043 -6.429 573 H ASN 80 H ASN 80 1.141 -12.660 -8.986 574 HA ASN 80 HA ASN 80 0.471 -15.417 -8.691 575 1HB ASN 80 2HB ASN 80 -0.442 -13.218 -10.526 576 2HB ASN 80 1HB ASN 80 -1.000 -14.863 -10.805 577 1HD2 ASN 80 1HD2 ASN 80 -2.265 -12.288 -9.648 578 2HD2 ASN 80 2HD2 ASN 80 -3.070 -12.822 -8.253 579 H GLU 81 H GLU 81 1.373 -13.789 -11.729 580 HA GLU 81 HA GLU 81 2.124 -16.238 -13.053 581 1HB GLU 81 2HB GLU 81 1.341 -13.990 -14.059 582 2HB GLU 81 1HB GLU 81 3.010 -13.464 -13.857 583 1HG GLU 81 2HG GLU 81 3.076 -14.306 -16.033 584 2HG GLU 81 1HG GLU 81 3.556 -15.733 -15.128 585 H GLY 82 H GLY 82 3.688 -15.006 -10.499 586 1HA GLY 82 2HA GLY 82 6.339 -15.919 -11.510 587 2HA GLY 82 1HA GLY 82 6.252 -14.356 -10.729 588 H LYS 83 H LYS 83 7.882 -16.219 -9.610 589 HA LYS 83 HA LYS 83 6.470 -17.711 -7.530 590 1HB LYS 83 2HB LYS 83 9.390 -17.092 -8.029 591 2HB LYS 83 1HB LYS 83 8.835 -17.982 -6.611 592 1HG LYS 83 2HG LYS 83 7.650 -19.561 -8.268 593 2HG LYS 83 1HG LYS 83 8.620 -18.781 -9.518 594 1HD LYS 83 2HD LYS 83 10.665 -19.497 -8.522 595 2HD LYS 83 1HD LYS 83 9.853 -19.968 -7.027 596 1HE LYS 83 2HE LYS 83 9.420 -21.269 -9.733 597 2HE LYS 83 1HE LYS 83 10.386 -21.945 -8.420 598 1HZ LYS 83 1HZ LYS 83 7.912 -21.233 -7.364 599 2HZ LYS 83 2HZ LYS 83 8.541 -22.797 -7.577 600 3HZ LYS 83 3HZ LYS 83 7.602 -22.081 -8.800 601 H VAL 84 H VAL 84 7.891 -17.163 -5.243 602 HA VAL 84 HA VAL 84 6.834 -14.501 -4.589 603 HB VAL 84 HB VAL 84 6.731 -16.739 -3.181 604 1HG1 VAL 84 1HG1 VAL 84 8.431 -16.946 -1.483 605 2HG1 VAL 84 2HG1 VAL 84 9.273 -15.518 -2.085 606 3HG1 VAL 84 3HG1 VAL 84 9.217 -16.989 -3.061 607 1HG2 VAL 84 1HG2 VAL 84 5.734 -14.612 -2.491 608 2HG2 VAL 84 2HG2 VAL 84 7.308 -14.050 -1.923 609 3HG2 VAL 84 3HG2 VAL 84 6.509 -15.398 -1.115 610 H LYS 85 H LYS 85 9.904 -16.128 -5.051 611 HA LYS 85 HA LYS 85 11.570 -14.057 -3.965 612 1HB LYS 85 2HB LYS 85 11.978 -16.607 -4.997 613 2HB LYS 85 1HB LYS 85 12.701 -15.593 -6.240 614 1HG LYS 85 2HG LYS 85 13.903 -14.395 -4.283 615 2HG LYS 85 1HG LYS 85 13.424 -15.787 -3.314 616 1HD LYS 85 2HD LYS 85 14.591 -17.302 -4.825 617 2HD LYS 85 1HD LYS 85 14.988 -15.968 -5.909 618 1HE LYS 85 2HE LYS 85 15.888 -16.134 -3.016 619 2HE LYS 85 1HE LYS 85 16.880 -16.605 -4.396 620 1HZ LYS 85 1HZ LYS 85 17.404 -14.368 -3.798 621 2HZ LYS 85 2HZ LYS 85 15.768 -13.908 -3.844 622 3HZ LYS 85 3HZ LYS 85 16.574 -14.334 -5.277 623 H GLU 86 H GLU 86 10.339 -14.737 -7.239 624 HA GLU 86 HA GLU 86 11.640 -12.559 -8.558 625 1HB GLU 86 2HB GLU 86 8.945 -13.794 -9.216 626 2HB GLU 86 1HB GLU 86 9.961 -12.858 -10.315 627 1HG GLU 86 2HG GLU 86 10.811 -15.447 -8.991 628 2HG GLU 86 1HG GLU 86 10.193 -15.329 -10.639 629 H ALA 87 H ALA 87 8.543 -12.807 -6.853 630 HA ALA 87 HA ALA 87 7.657 -10.143 -7.502 631 1HB ALA 87 1HB ALA 87 6.922 -12.179 -5.417 632 2HB ALA 87 2HB ALA 87 5.928 -11.470 -6.686 633 3HB ALA 87 3HB ALA 87 6.314 -10.529 -5.252 634 H GLN 88 H GLN 88 9.618 -11.472 -4.858 635 HA GLN 88 HA GLN 88 9.743 -9.108 -3.275 636 1HB GLN 88 2HB GLN 88 10.701 -10.794 -2.052 637 2HB GLN 88 1HB GLN 88 11.099 -11.709 -3.495 638 1HG GLN 88 2HG GLN 88 13.122 -11.178 -2.328 639 2HG GLN 88 1HG GLN 88 13.120 -10.235 -3.801 640 1HE2 GLN 88 1HE2 GLN 88 12.910 -7.905 -3.590 641 2HE2 GLN 88 2HE2 GLN 88 12.980 -7.126 -2.085 642 H ALA 89 H ALA 89 11.814 -10.315 -5.898 643 HA ALA 89 HA ALA 89 13.653 -8.156 -5.975 644 1HB ALA 89 1HB ALA 89 12.624 -9.964 -8.180 645 2HB ALA 89 2HB ALA 89 14.089 -10.182 -7.223 646 3HB ALA 89 3HB ALA 89 13.979 -8.853 -8.379 647 H ALA 90 H ALA 90 10.461 -8.522 -7.502 648 HA ALA 90 HA ALA 90 10.534 -6.206 -9.144 649 1HB ALA 90 1HB ALA 90 8.114 -6.321 -9.146 650 2HB ALA 90 2HB ALA 90 8.114 -7.284 -7.668 651 3HB ALA 90 3HB ALA 90 8.737 -7.971 -9.170 652 H ALA 91 H ALA 91 9.615 -6.618 -5.733 653 HA ALA 91 HA ALA 91 8.733 -3.955 -5.276 654 1HB ALA 91 1HB ALA 91 10.017 -5.941 -3.384 655 2HB ALA 91 2HB ALA 91 8.290 -5.718 -3.663 656 3HB ALA 91 3HB ALA 91 9.227 -4.448 -2.877 657 H GLU 92 H GLU 92 11.997 -5.389 -5.086 658 HA GLU 92 HA GLU 92 13.287 -3.097 -3.978 659 1HB GLU 92 2HB GLU 92 14.577 -4.979 -5.959 660 2HB GLU 92 1HB GLU 92 15.348 -4.077 -4.652 661 1HG GLU 92 2HG GLU 92 13.966 -5.378 -3.018 662 2HG GLU 92 1HG GLU 92 13.390 -6.362 -4.363 663 H GLN 93 H GLN 93 13.118 -4.093 -7.450 664 HA GLN 93 HA GLN 93 14.275 -1.635 -8.351 665 1HB GLN 93 2HB GLN 93 13.136 -2.169 -10.554 666 2HB GLN 93 1HB GLN 93 14.176 -3.447 -9.925 667 1HG GLN 93 2HG GLN 93 12.202 -4.580 -8.978 668 2HG GLN 93 1HG GLN 93 11.174 -3.307 -9.626 669 1HE2 GLN 93 1HE2 GLN 93 11.975 -6.390 -10.321 670 2HE2 GLN 93 2HE2 GLN 93 11.943 -6.344 -12.017 671 H LEU 94 H LEU 94 10.931 -2.570 -7.620 672 HA LEU 94 HA LEU 94 9.862 0.000 -8.492 673 1HB LEU 94 2HB LEU 94 8.652 -2.146 -6.740 674 2HB LEU 94 1HB LEU 94 7.799 -0.695 -7.268 675 HG LEU 94 HG LEU 94 9.037 -2.719 -9.155 676 1HD1 LEU 94 1HD1 LEU 94 6.117 -2.384 -8.465 677 2HD1 LEU 94 2HD1 LEU 94 7.150 -3.622 -7.754 678 3HD1 LEU 94 3HD1 LEU 94 6.837 -3.625 -9.489 679 1HD2 LEU 94 1HD2 LEU 94 7.232 -1.481 -10.668 680 2HD2 LEU 94 2HD2 LEU 94 8.826 -0.780 -10.429 681 3HD2 LEU 94 3HD2 LEU 94 7.457 -0.180 -9.499 682 H LYS 95 H LYS 95 11.680 -1.019 -5.812 683 HA LYS 95 HA LYS 95 10.433 0.619 -3.785 684 1HB LYS 95 2HB LYS 95 12.057 -1.217 -3.274 685 2HB LYS 95 1HB LYS 95 13.341 -0.234 -3.967 686 1HG LYS 95 2HG LYS 95 11.727 1.185 -1.916 687 2HG LYS 95 1HG LYS 95 12.622 -0.197 -1.295 688 1HD LYS 95 2HD LYS 95 14.711 0.698 -2.174 689 2HD LYS 95 1HD LYS 95 13.855 2.039 -2.936 690 1HE LYS 95 2HE LYS 95 14.773 2.868 -0.869 691 2HE LYS 95 1HE LYS 95 13.035 2.697 -0.633 692 1HZ LYS 95 1HZ LYS 95 15.071 0.689 0.169 693 2HZ LYS 95 2HZ LYS 95 13.400 0.589 0.449 694 3HZ LYS 95 3HZ LYS 95 14.322 1.788 1.222 695 H THR 96 H THR 96 13.361 1.157 -5.801 696 HA THR 96 HA THR 96 13.578 3.920 -4.983 697 HB THR 96 HB THR 96 14.742 2.525 -7.409 698 HG1 THR 96 1HG THR 96 15.309 1.519 -5.455 699 1HG2 THR 96 1HG2 THR 96 15.277 5.142 -6.020 700 2HG2 THR 96 2HG2 THR 96 15.037 4.829 -7.738 701 3HG2 THR 96 3HG2 THR 96 16.535 4.333 -6.953 702 H THR 97 H THR 97 11.850 2.245 -7.534 703 HA THR 97 HA THR 97 11.276 4.768 -8.959 704 HB THR 97 HB THR 97 10.752 1.851 -9.472 705 HG1 THR 97 1HG THR 97 12.659 3.520 -10.066 706 1HG2 THR 97 1HG2 THR 97 9.805 2.725 -11.698 707 2HG2 THR 97 2HG2 THR 97 9.574 4.251 -10.846 708 3HG2 THR 97 3HG2 THR 97 8.759 2.794 -10.280 709 H GLY 98 H GLY 98 9.833 2.614 -6.659 710 1HA GLY 98 2HA GLY 98 7.087 3.491 -7.141 711 2HA GLY 98 1HA GLY 98 7.624 2.487 -5.801 712 H ARG 99 H ARG 99 6.808 3.604 -4.048 713 HA ARG 99 HA ARG 99 6.432 5.368 -2.556 714 1HB ARG 99 2HB ARG 99 9.292 5.813 -3.453 715 2HB ARG 99 1HB ARG 99 8.548 6.725 -2.137 716 1HG ARG 99 2HG ARG 99 8.007 4.577 -0.995 717 2HG ARG 99 1HG ARG 99 8.875 3.715 -2.266 718 1HD ARG 99 2HD ARG 99 10.956 4.736 -1.660 719 2HD ARG 99 1HD ARG 99 10.154 5.901 -0.607 720 HE ARG 99 HE ARG 99 9.518 3.318 0.363 721 1HH1 ARG 99 1HH2 ARG 99 12.238 5.365 -0.152 722 2HH1 ARG 99 2HH2 ARG 99 13.129 4.751 1.200 723 1HH2 ARG 99 1HH1 ARG 99 10.656 2.505 2.137 724 2HH2 ARG 99 2HH1 ARG 99 12.226 3.136 2.502 725 H ALA 100 H ALA 100 8.238 7.907 -3.390 726 HA ALA 100 HA ALA 100 7.892 9.903 -4.545 727 1HB ALA 100 1HB ALA 100 5.729 8.643 -6.224 728 2HB ALA 100 2HB ALA 100 7.409 8.178 -6.485 729 3HB ALA 100 3HB ALA 100 6.922 9.861 -6.670 730 H GLY 101 H GLY 101 5.556 8.107 -2.911 731 1HA GLY 101 2HA GLY 101 3.475 10.164 -2.973 732 2HA GLY 101 1HA GLY 101 3.437 8.684 -2.017 733 H ASN 102 H ASN 102 6.411 9.893 -1.499 734 HA ASN 102 HA ASN 102 5.685 11.893 0.551 735 1HB ASN 102 2HB ASN 102 5.639 9.357 1.372 736 2HB ASN 102 1HB ASN 102 7.387 9.574 1.438 737 1HD2 ASN 102 1HD2 ASN 102 7.377 12.375 2.206 738 2HD2 ASN 102 2HD2 ASN 102 6.776 12.471 3.789 739 H GLN 103 H GLN 103 7.095 12.467 -1.709 740 HA GLN 103 HA GLN 103 9.870 12.848 -0.705 741 1HB GLN 103 2HB GLN 103 9.639 10.919 -2.344 742 2HB GLN 103 1HB GLN 103 9.164 12.123 -3.550 743 1HG GLN 103 2HG GLN 103 11.266 13.310 -3.256 744 2HG GLN 103 1HG GLN 103 11.768 12.180 -1.998 745 1HE2 GLN 103 1HE2 GLN 103 10.855 12.284 -5.477 746 2HE2 GLN 103 2HE2 GLN 103 11.793 10.941 -5.920 747 H LYS 104 H LYS 104 7.330 13.773 -2.989 748 HA LYS 104 HA LYS 104 8.673 16.318 -3.593 749 1HB LYS 104 2HB LYS 104 7.495 15.425 -5.462 750 2HB LYS 104 1HB LYS 104 6.090 15.018 -4.482 751 1HG LYS 104 2HG LYS 104 5.426 17.310 -4.284 752 2HG LYS 104 1HG LYS 104 6.989 17.879 -4.890 753 1HD LYS 104 2HD LYS 104 6.511 16.922 -7.095 754 2HD LYS 104 1HD LYS 104 4.986 16.267 -6.502 755 1HE LYS 104 2HE LYS 104 4.065 18.215 -7.266 756 2HE LYS 104 1HE LYS 104 4.788 18.978 -5.853 757 1HZ LYS 104 1HZ LYS 104 6.871 18.946 -7.484 758 2HZ LYS 104 2HZ LYS 104 5.757 20.229 -7.437 759 3HZ LYS 104 3HZ LYS 104 5.629 19.035 -8.636 760 H GLY 105 H GLY 105 5.308 15.667 -2.721 761 1HA GLY 105 2HA GLY 105 5.225 18.119 -1.094 762 2HA GLY 105 1HA GLY 105 3.861 17.066 -1.486 763 H GLY 106 H GLY 106 6.936 15.952 -0.246 764 1HA GLY 106 2HA GLY 106 5.693 15.307 2.395 765 2HA GLY 106 1HA GLY 106 6.609 14.094 1.499 Start of MODEL 8 1 1H ALA 1 1HT ALA 1 -5.882 -8.801 31.600 2 2H ALA 1 2HT ALA 1 -6.477 -7.357 30.932 3 3H ALA 1 3HT ALA 1 -6.869 -7.782 32.529 4 HA ALA 1 HA ALA 1 -4.648 -6.322 31.577 5 1HB ALA 1 1HB ALA 1 -5.383 -7.212 34.380 6 2HB ALA 1 2HB ALA 1 -6.111 -5.831 33.558 7 3HB ALA 1 3HB ALA 1 -4.389 -5.823 33.939 8 H ASP 2 H ASP 2 -2.564 -6.979 31.299 9 HA ASP 2 HA ASP 2 -0.686 -8.388 31.318 10 1HB ASP 2 2HB ASP 2 -0.975 -7.680 33.778 11 2HB ASP 2 1HB ASP 2 -1.677 -9.275 34.032 12 H LEU 3 H LEU 3 -0.079 -10.859 31.738 13 HA LEU 3 HA LEU 3 -2.220 -12.415 30.443 14 1HB LEU 3 2HB LEU 3 0.483 -13.523 31.213 15 2HB LEU 3 1HB LEU 3 -0.562 -13.981 29.874 16 HG LEU 3 HG LEU 3 0.978 -11.390 30.163 17 1HD1 LEU 3 1HD1 LEU 3 2.439 -13.116 29.407 18 2HD1 LEU 3 2HD1 LEU 3 1.947 -12.247 27.954 19 3HD1 LEU 3 3HD1 LEU 3 1.207 -13.798 28.347 20 1HD2 LEU 3 1HD2 LEU 3 -1.015 -10.722 29.103 21 2HD2 LEU 3 2HD2 LEU 3 -1.194 -12.255 28.249 22 3HD2 LEU 3 3HD2 LEU 3 0.038 -11.099 27.741 23 H GLU 4 H GLU 4 -0.016 -13.383 33.134 24 HA GLU 4 HA GLU 4 -0.474 -14.590 35.080 25 1HB GLU 4 2HB GLU 4 -3.161 -13.207 34.901 26 2HB GLU 4 1HB GLU 4 -2.411 -13.879 36.347 27 1HG GLU 4 2HG GLU 4 -0.461 -12.277 35.897 28 2HG GLU 4 1HG GLU 4 -1.527 -11.483 34.737 29 H ASP 5 H ASP 5 -1.476 -16.480 35.840 30 HA ASP 5 HA ASP 5 -2.405 -18.599 35.587 31 1HB ASP 5 2HB ASP 5 -4.772 -18.620 35.337 32 2HB ASP 5 1HB ASP 5 -4.361 -17.106 36.142 33 H ASN 6 H ASN 6 -3.453 -16.867 32.630 34 HA ASN 6 HA ASN 6 -3.391 -17.498 30.395 35 1HB ASN 6 2HB ASN 6 -0.893 -18.695 31.551 36 2HB ASN 6 1HB ASN 6 -1.281 -18.924 29.848 37 1HD2 ASN 6 1HD2 ASN 6 0.502 -17.572 29.161 38 2HD2 ASN 6 2HD2 ASN 6 0.481 -15.889 29.374 39 H ASP 7 H ASP 7 -3.664 -19.273 28.908 40 HA ASP 7 HA ASP 7 -4.294 -21.928 30.091 41 1HB ASP 7 2HB ASP 7 -6.418 -20.617 30.002 42 2HB ASP 7 1HB ASP 7 -6.173 -20.378 28.273 43 H GLU 8 H GLU 8 -3.803 -19.895 27.228 44 HA GLU 8 HA GLU 8 -3.298 -22.221 25.497 45 1HB GLU 8 2HB GLU 8 -2.805 -19.285 24.923 46 2HB GLU 8 1HB GLU 8 -2.917 -20.591 23.744 47 1HG GLU 8 2HG GLU 8 -5.159 -19.636 25.551 48 2HG GLU 8 1HG GLU 8 -5.022 -19.329 23.819 49 H THR 9 H THR 9 -1.577 -20.869 27.903 50 HA THR 9 HA THR 9 0.679 -20.518 28.362 51 HB THR 9 HB THR 9 0.536 -22.985 28.307 52 HG1 THR 9 1HG THR 9 2.531 -21.829 28.658 53 1HG2 THR 9 1HG2 THR 9 1.285 -22.622 25.392 54 2HG2 THR 9 2HG2 THR 9 -0.102 -23.489 26.052 55 3HG2 THR 9 3HG2 THR 9 1.520 -24.132 26.266 56 H GLY 10 H GLY 10 -0.432 -19.244 25.889 57 1HA GLY 10 2HA GLY 10 2.187 -18.411 24.777 58 2HA GLY 10 1HA GLY 10 1.010 -19.060 23.632 59 H ASN 11 H ASN 11 -1.111 -17.949 23.539 60 HA ASN 11 HA ASN 11 -2.315 -15.988 23.164 61 1HB ASN 11 2HB ASN 11 -2.870 -14.861 25.119 62 2HB ASN 11 1HB ASN 11 -2.171 -16.335 25.786 63 1HD2 ASN 11 1HD2 ASN 11 -1.358 -12.931 24.980 64 2HD2 ASN 11 2HD2 ASN 11 -0.113 -12.791 26.126 65 H ASP 12 H ASP 12 0.909 -16.033 22.843 66 HA ASP 12 HA ASP 12 0.947 -13.270 21.771 67 1HB ASP 12 2HB ASP 12 2.965 -14.336 23.768 68 2HB ASP 12 1HB ASP 12 3.184 -12.863 22.820 69 H ASN 13 H ASN 13 0.965 -16.081 20.734 70 HA ASN 13 HA ASN 13 3.648 -16.455 19.622 71 1HB ASN 13 2HB ASN 13 0.978 -17.809 19.177 72 2HB ASN 13 1HB ASN 13 2.405 -18.215 18.222 73 1HD2 ASN 13 1HD2 ASN 13 2.205 -20.414 19.287 74 2HD2 ASN 13 2HD2 ASN 13 2.849 -20.628 20.842 75 H GLY 14 H GLY 14 0.577 -16.355 17.843 76 1HA GLY 14 2HA GLY 14 0.005 -15.233 15.860 77 2HA GLY 14 1HA GLY 14 1.038 -13.924 16.442 78 H LYS 15 H LYS 15 1.569 -17.264 15.282 79 HA LYS 15 HA LYS 15 4.038 -16.404 13.931 80 1HB LYS 15 2HB LYS 15 3.998 -18.917 13.263 81 2HB LYS 15 1HB LYS 15 4.235 -18.520 14.965 82 1HG LYS 15 2HG LYS 15 1.942 -18.960 15.489 83 2HG LYS 15 1HG LYS 15 1.500 -19.067 13.786 84 1HD LYS 15 2HD LYS 15 3.481 -20.930 15.105 85 2HD LYS 15 1HD LYS 15 1.758 -21.276 15.023 86 1HE LYS 15 2HE LYS 15 2.052 -22.124 12.932 87 2HE LYS 15 1HE LYS 15 2.617 -20.554 12.369 88 1HZ LYS 15 1HZ LYS 15 4.689 -21.645 13.835 89 2HZ LYS 15 2HZ LYS 15 4.608 -21.453 12.147 90 3HZ LYS 15 3HZ LYS 15 4.102 -22.908 12.868 91 H GLY 16 H GLY 16 0.715 -16.782 13.190 92 1HA GLY 16 2HA GLY 16 1.219 -17.075 10.267 93 2HA GLY 16 1HA GLY 16 -0.357 -17.168 11.056 94 H GLY 17 H GLY 17 1.933 -14.652 11.849 95 1HA GLY 17 2HA GLY 17 -0.037 -12.620 11.050 96 2HA GLY 17 1HA GLY 17 1.468 -12.323 11.917 97 H GLU 18 H GLU 18 3.489 -12.967 10.427 98 HA GLU 18 HA GLU 18 3.011 -12.231 7.598 99 1HB GLU 18 2HB GLU 18 3.376 -10.124 9.058 100 2HB GLU 18 1HB GLU 18 5.045 -10.676 9.205 101 1HG GLU 18 2HG GLU 18 5.273 -10.686 6.755 102 2HG GLU 18 1HG GLU 18 3.593 -10.172 6.588 103 H LYS 19 H LYS 19 3.810 -14.709 8.445 104 HA LYS 19 HA LYS 19 6.724 -14.909 8.491 105 1HB LYS 19 2HB LYS 19 6.379 -17.286 8.562 106 2HB LYS 19 1HB LYS 19 5.137 -16.564 9.583 107 1HG LYS 19 2HG LYS 19 3.608 -16.619 7.532 108 2HG LYS 19 1HG LYS 19 4.821 -17.649 6.761 109 1HD LYS 19 2HD LYS 19 3.462 -18.240 9.415 110 2HD LYS 19 1HD LYS 19 3.021 -18.967 7.870 111 1HE LYS 19 2HE LYS 19 4.465 -20.589 8.716 112 2HE LYS 19 1HE LYS 19 5.599 -19.604 7.793 113 1HZ LYS 19 1HZ LYS 19 6.059 -20.216 10.275 114 2HZ LYS 19 2HZ LYS 19 5.057 -18.878 10.579 115 3HZ LYS 19 3HZ LYS 19 6.480 -18.691 9.669 116 H ALA 20 H ALA 20 7.580 -16.682 6.814 117 HA ALA 20 HA ALA 20 7.037 -15.572 4.118 118 1HB ALA 20 1HB ALA 20 9.085 -16.625 3.456 119 2HB ALA 20 2HB ALA 20 9.092 -17.666 4.880 120 3HB ALA 20 3HB ALA 20 9.400 -15.937 5.048 121 H ASP 21 H ASP 21 4.807 -16.710 4.422 122 HA ASP 21 HA ASP 21 4.804 -19.627 4.216 123 1HB ASP 21 2HB ASP 21 2.919 -18.371 5.269 124 2HB ASP 21 1HB ASP 21 2.575 -17.636 3.706 125 H ASN 22 H ASN 22 5.711 -17.256 2.238 126 HA ASN 22 HA ASN 22 5.998 -17.052 -0.061 127 1HB ASN 22 2HB ASN 22 5.979 -19.956 0.506 128 2HB ASN 22 1HB ASN 22 5.569 -19.566 -1.156 129 1HD2 ASN 22 1HD2 ASN 22 7.194 -17.604 -1.975 130 2HD2 ASN 22 2HD2 ASN 22 8.827 -17.957 -1.681 131 H ALA 23 H ALA 23 4.404 -15.888 -0.924 132 HA ALA 23 HA ALA 23 2.605 -15.637 -2.480 133 1HB ALA 23 1HB ALA 23 2.516 -18.238 -2.577 134 2HB ALA 23 2HB ALA 23 1.068 -17.320 -2.981 135 3HB ALA 23 3HB ALA 23 1.215 -18.076 -1.396 136 H ALA 24 H ALA 24 1.774 -16.876 0.788 137 HA ALA 24 HA ALA 24 -0.635 -15.337 0.977 138 1HB ALA 24 1HB ALA 24 0.299 -17.238 2.533 139 2HB ALA 24 2HB ALA 24 -0.690 -15.956 3.234 140 3HB ALA 24 3HB ALA 24 1.065 -15.907 3.397 141 H GLN 25 H GLN 25 2.456 -14.666 2.646 142 HA GLN 25 HA GLN 25 1.826 -11.975 3.297 143 1HB GLN 25 2HB GLN 25 4.077 -11.763 3.967 144 2HB GLN 25 1HB GLN 25 3.744 -13.480 4.151 145 1HG GLN 25 2HG GLN 25 5.706 -13.694 2.952 146 2HG GLN 25 1HG GLN 25 4.630 -13.499 1.582 147 1HE2 GLN 25 1HE2 GLN 25 7.059 -11.761 3.560 148 2HE2 GLN 25 2HE2 GLN 25 7.222 -10.468 2.479 149 H VAL 26 H VAL 26 2.480 -13.320 0.242 150 HA VAL 26 HA VAL 26 3.775 -11.022 -0.952 151 HB VAL 26 HB VAL 26 2.227 -13.208 -2.353 152 1HG1 VAL 26 1HG1 VAL 26 4.421 -11.288 -3.195 153 2HG1 VAL 26 2HG1 VAL 26 2.789 -11.396 -3.856 154 3HG1 VAL 26 3HG1 VAL 26 3.944 -12.697 -4.146 155 1HG2 VAL 26 1HG2 VAL 26 4.487 -14.295 -2.496 156 2HG2 VAL 26 2HG2 VAL 26 3.844 -14.207 -0.855 157 3HG2 VAL 26 3HG2 VAL 26 5.090 -13.075 -1.375 158 H LYS 27 H LYS 27 0.478 -12.305 -1.736 159 HA LYS 27 HA LYS 27 -0.345 -9.870 -2.955 160 1HB LYS 27 2HB LYS 27 -2.653 -10.705 -2.659 161 2HB LYS 27 1HB LYS 27 -1.584 -11.970 -3.255 162 1HG LYS 27 2HG LYS 27 -1.299 -12.442 -0.609 163 2HG LYS 27 1HG LYS 27 -2.884 -11.682 -0.566 164 1HD LYS 27 2HD LYS 27 -3.418 -13.939 -0.852 165 2HD LYS 27 1HD LYS 27 -3.466 -13.331 -2.501 166 1HE LYS 27 2HE LYS 27 -0.906 -14.042 -2.498 167 2HE LYS 27 1HE LYS 27 -1.436 -15.108 -1.199 168 1HZ LYS 27 1HZ LYS 27 -2.897 -14.960 -3.759 169 2HZ LYS 27 2HZ LYS 27 -2.928 -16.189 -2.587 170 3HZ LYS 27 3HZ LYS 27 -1.555 -15.982 -3.567 171 H ASP 28 H ASP 28 -0.451 -10.938 0.407 172 HA ASP 28 HA ASP 28 -2.077 -8.845 1.445 173 1HB ASP 28 2HB ASP 28 0.267 -10.277 2.733 174 2HB ASP 28 1HB ASP 28 -0.926 -9.304 3.595 175 H ALA 29 H ALA 29 1.415 -8.982 0.764 176 HA ALA 29 HA ALA 29 2.067 -6.423 1.860 177 1HB ALA 29 1HB ALA 29 3.729 -8.218 1.249 178 2HB ALA 29 2HB ALA 29 4.137 -6.622 0.618 179 3HB ALA 29 3HB ALA 29 3.430 -7.838 -0.447 180 H LEU 30 H LEU 30 1.384 -7.443 -1.491 181 HA LEU 30 HA LEU 30 1.524 -4.851 -2.597 182 1HB LEU 30 2HB LEU 30 -0.317 -7.062 -3.508 183 2HB LEU 30 1HB LEU 30 0.379 -5.785 -4.500 184 HG LEU 30 HG LEU 30 1.938 -7.963 -3.084 185 1HD1 LEU 30 1HD1 LEU 30 0.681 -8.773 -5.040 186 2HD1 LEU 30 2HD1 LEU 30 2.413 -8.750 -5.376 187 3HD1 LEU 30 3HD1 LEU 30 1.374 -7.480 -6.021 188 1HD2 LEU 30 1HD2 LEU 30 3.779 -6.963 -4.647 189 2HD2 LEU 30 2HD2 LEU 30 3.397 -6.115 -3.153 190 3HD2 LEU 30 3HD2 LEU 30 2.745 -5.533 -4.683 191 H THR 31 H THR 31 -1.356 -6.679 -1.570 192 HA THR 31 HA THR 31 -3.220 -4.557 -1.881 193 HB THR 31 HB THR 31 -4.509 -5.879 -0.081 194 HG1 THR 31 1HG THR 31 -3.576 -7.941 0.296 195 1HG2 THR 31 1HG2 THR 31 -5.083 -6.327 -2.330 196 2HG2 THR 31 2HG2 THR 31 -4.676 -7.910 -1.670 197 3HG2 THR 31 3HG2 THR 31 -3.511 -7.050 -2.676 198 H LYS 32 H LYS 32 -1.027 -5.330 0.804 199 HA LYS 32 HA LYS 32 -2.226 -3.649 2.761 200 1HB LYS 32 2HB LYS 32 -0.486 -5.225 3.385 201 2HB LYS 32 1HB LYS 32 0.687 -4.397 2.364 202 1HG LYS 32 2HG LYS 32 -0.640 -2.622 4.348 203 2HG LYS 32 1HG LYS 32 0.315 -3.907 5.077 204 1HD LYS 32 2HD LYS 32 2.247 -3.219 3.620 205 2HD LYS 32 1HD LYS 32 1.284 -1.846 3.073 206 1HE LYS 32 2HE LYS 32 2.383 -2.402 5.824 207 2HE LYS 32 1HE LYS 32 2.544 -0.943 4.847 208 1HZ LYS 32 1HZ LYS 32 -0.095 -1.075 5.104 209 2HZ LYS 32 2HZ LYS 32 0.906 -0.229 6.185 210 3HZ LYS 32 3HZ LYS 32 0.368 -1.795 6.570 211 H MET 33 H MET 33 0.435 -2.898 0.471 212 HA MET 33 HA MET 33 0.622 -0.139 1.201 213 1HB MET 33 2HB MET 33 1.149 -1.366 -1.524 214 2HB MET 33 1HB MET 33 1.775 0.176 -0.935 215 1HG MET 33 2HG MET 33 2.799 -1.192 1.002 216 2HG MET 33 1HG MET 33 2.467 -2.609 0.009 217 1HE MET 33 1HE MET 33 3.045 -1.890 -2.982 218 2HE MET 33 2HE MET 33 3.458 -3.283 -1.986 219 3HE MET 33 3HE MET 33 4.707 -2.482 -2.935 220 H ARG 34 H ARG 34 -1.464 -1.845 -1.114 221 HA ARG 34 HA ARG 34 -2.550 0.434 -2.415 222 1HB ARG 34 2HB ARG 34 -3.038 -1.743 -3.298 223 2HB ARG 34 1HB ARG 34 -3.754 -2.273 -1.779 224 1HG ARG 34 2HG ARG 34 -5.645 -0.877 -2.059 225 2HG ARG 34 1HG ARG 34 -4.864 0.072 -3.323 226 1HD ARG 34 2HD ARG 34 -4.921 -1.835 -4.849 227 2HD ARG 34 1HD ARG 34 -5.606 -2.858 -3.584 228 HE ARG 34 HE ARG 34 -7.081 -0.977 -5.214 229 1HH1 ARG 34 1HH2 ARG 34 -6.787 -2.449 -2.114 230 2HH1 ARG 34 2HH2 ARG 34 -8.437 -2.171 -1.673 231 1HH2 ARG 34 1HH1 ARG 34 -9.247 -0.594 -4.649 232 2HH2 ARG 34 2HH1 ARG 34 -9.829 -1.120 -3.105 233 H ALA 35 H ALA 35 -3.923 -1.358 0.365 234 HA ALA 35 HA ALA 35 -6.041 0.456 0.877 235 1HB ALA 35 1HB ALA 35 -4.545 -1.435 2.702 236 2HB ALA 35 2HB ALA 35 -6.101 -1.699 1.915 237 3HB ALA 35 3HB ALA 35 -5.962 -0.522 3.219 238 H ALA 36 H ALA 36 -2.646 0.582 1.896 239 HA ALA 36 HA ALA 36 -2.947 2.512 3.964 240 1HB ALA 36 1HB ALA 36 -0.622 2.926 3.766 241 2HB ALA 36 2HB ALA 36 -0.602 2.468 2.064 242 3HB ALA 36 3HB ALA 36 -0.822 1.234 3.304 243 H ALA 37 H ALA 37 -2.261 3.041 0.478 244 HA ALA 37 HA ALA 37 -2.314 5.886 0.664 245 1HB ALA 37 1HB ALA 37 -3.269 5.194 -1.923 246 2HB ALA 37 2HB ALA 37 -2.200 3.881 -1.439 247 3HB ALA 37 3HB ALA 37 -1.600 5.537 -1.468 248 H LEU 38 H LEU 38 -4.938 3.537 0.024 249 HA LEU 38 HA LEU 38 -6.953 5.511 -0.454 250 1HB LEU 38 2HB LEU 38 -7.189 2.695 0.611 251 2HB LEU 38 1HB LEU 38 -8.558 3.689 0.122 252 HG LEU 38 HG LEU 38 -6.255 2.849 -1.676 253 1HD1 LEU 38 1HD1 LEU 38 -8.004 1.096 -0.947 254 2HD1 LEU 38 2HD1 LEU 38 -7.753 1.306 -2.679 255 3HD1 LEU 38 3HD1 LEU 38 -9.157 2.032 -1.898 256 1HD2 LEU 38 1HD2 LEU 38 -8.607 4.694 -2.040 257 2HD2 LEU 38 2HD2 LEU 38 -8.066 3.733 -3.417 258 3HD2 LEU 38 3HD2 LEU 38 -6.957 4.857 -2.640 259 H ASP 39 H ASP 39 -5.922 3.887 2.524 260 HA ASP 39 HA ASP 39 -7.919 4.978 4.233 261 1HB ASP 39 2HB ASP 39 -6.193 3.143 4.759 262 2HB ASP 39 1HB ASP 39 -5.071 4.463 5.100 263 H ALA 40 H ALA 40 -4.555 6.131 3.800 264 HA ALA 40 HA ALA 40 -4.994 8.532 5.305 265 1HB ALA 40 1HB ALA 40 -2.853 9.276 4.046 266 2HB ALA 40 2HB ALA 40 -2.864 7.651 3.362 267 3HB ALA 40 3HB ALA 40 -2.737 7.872 5.107 268 H GLN 41 H GLN 41 -6.144 7.646 2.282 269 HA GLN 41 HA GLN 41 -5.884 10.118 0.858 270 1HB GLN 41 2HB GLN 41 -6.723 7.636 0.208 271 2HB GLN 41 1HB GLN 41 -8.288 8.387 0.376 272 1HG GLN 41 2HG GLN 41 -7.833 8.821 -1.870 273 2HG GLN 41 1HG GLN 41 -7.188 10.283 -1.124 274 1HE2 GLN 41 1HE2 GLN 41 -6.065 6.942 -1.957 275 2HE2 GLN 41 2HE2 GLN 41 -4.512 7.434 -2.441 276 H LYS 42 H LYS 42 -8.846 10.101 0.307 277 HA LYS 42 HA LYS 42 -9.567 12.245 2.128 278 1HB LYS 42 2HB LYS 42 -11.144 10.759 0.008 279 2HB LYS 42 1HB LYS 42 -11.776 12.134 0.914 280 1HG LYS 42 2HG LYS 42 -9.945 13.547 0.080 281 2HG LYS 42 1HG LYS 42 -9.275 12.178 -0.808 282 1HD LYS 42 2HD LYS 42 -10.593 13.537 -2.340 283 2HD LYS 42 1HD LYS 42 -11.413 11.999 -2.079 284 1HE LYS 42 2HE LYS 42 -13.126 12.965 -0.836 285 2HE LYS 42 1HE LYS 42 -12.123 14.308 -0.290 286 1HZ LYS 42 1HZ LYS 42 -13.536 15.242 -1.857 287 2HZ LYS 42 2HZ LYS 42 -13.403 13.924 -2.922 288 3HZ LYS 42 3HZ LYS 42 -12.098 14.994 -2.720 289 H ALA 43 H ALA 43 -9.032 10.167 3.754 290 HA ALA 43 HA ALA 43 -11.691 9.528 4.902 291 1HB ALA 43 1HB ALA 43 -9.515 7.483 4.360 292 2HB ALA 43 2HB ALA 43 -11.122 7.506 3.644 293 3HB ALA 43 3HB ALA 43 -10.928 7.191 5.369 294 H THR 44 H THR 44 -11.282 10.904 6.613 295 HA THR 44 HA THR 44 -10.251 11.774 8.509 296 HB THR 44 HB THR 44 -9.627 8.837 8.568 297 HG1 THR 44 1HG THR 44 -11.265 8.811 9.924 298 1HG2 THR 44 1HG2 THR 44 -9.100 9.593 11.142 299 2HG2 THR 44 2HG2 THR 44 -8.399 10.954 10.273 300 3HG2 THR 44 3HG2 THR 44 -7.838 9.311 9.949 301 HA PRO 45 HA PRO 45 -6.448 12.157 5.656 302 1HB PRO 45 2HB PRO 45 -7.090 14.947 6.581 303 2HB PRO 45 1HB PRO 45 -6.476 14.397 5.006 304 1HG PRO 45 2HG PRO 45 -9.024 15.015 5.290 305 2HG PRO 45 1HG PRO 45 -8.547 13.605 4.330 306 1HD PRO 45 2HD PRO 45 -9.773 13.692 7.064 307 2HD PRO 45 1HD PRO 45 -9.955 12.481 5.777 308 HA PRO 46 HA PRO 46 -4.331 12.436 9.717 309 1HB PRO 46 2HB PRO 46 -2.364 10.636 9.271 310 2HB PRO 46 1HB PRO 46 -4.029 10.134 9.616 311 1HG PRO 46 2HG PRO 46 -2.584 10.210 7.013 312 2HG PRO 46 1HG PRO 46 -3.779 9.043 7.606 313 1HD PRO 46 2HD PRO 46 -4.328 11.182 5.854 314 2HD PRO 46 1HD PRO 46 -5.541 10.275 6.778 315 H LYS 47 H LYS 47 -2.684 12.442 6.557 316 HA LYS 47 HA LYS 47 -0.720 14.446 7.630 317 1HB LYS 47 2HB LYS 47 -0.360 12.543 5.293 318 2HB LYS 47 1HB LYS 47 0.829 13.696 5.888 319 1HG LYS 47 2HG LYS 47 0.624 12.512 8.154 320 2HG LYS 47 1HG LYS 47 -0.232 11.240 7.288 321 1HD LYS 47 2HD LYS 47 1.943 10.427 7.138 322 2HD LYS 47 1HD LYS 47 1.872 11.377 5.656 323 1HE LYS 47 2HE LYS 47 2.907 13.293 6.853 324 2HE LYS 47 1HE LYS 47 3.007 12.310 8.314 325 1HZ LYS 47 1HZ LYS 47 4.126 11.143 5.899 326 2HZ LYS 47 2HZ LYS 47 4.701 11.102 7.497 327 3HZ LYS 47 3HZ LYS 47 4.962 12.475 6.530 328 H LEU 48 H LEU 48 -3.098 13.792 5.141 329 HA LEU 48 HA LEU 48 -2.218 15.979 3.441 330 1HB LEU 48 2HB LEU 48 -4.624 14.177 3.499 331 2HB LEU 48 1HB LEU 48 -4.656 15.626 2.501 332 HG LEU 48 HG LEU 48 -2.381 14.764 1.544 333 1HD1 LEU 48 1HD1 LEU 48 -3.508 12.242 2.799 334 2HD1 LEU 48 2HD1 LEU 48 -1.968 13.010 3.193 335 3HD1 LEU 48 3HD1 LEU 48 -2.208 12.274 1.609 336 1HD2 LEU 48 1HD2 LEU 48 -4.391 14.809 0.196 337 2HD2 LEU 48 2HD2 LEU 48 -5.021 13.374 1.007 338 3HD2 LEU 48 3HD2 LEU 48 -3.607 13.248 -0.041 339 H GLU 49 H GLU 49 -3.572 16.003 6.404 340 HA GLU 49 HA GLU 49 -5.378 18.284 5.965 341 1HB GLU 49 2HB GLU 49 -6.315 17.031 7.661 342 2HB GLU 49 1HB GLU 49 -4.757 16.344 8.110 343 1HG GLU 49 2HG GLU 49 -4.189 18.245 9.439 344 2HG GLU 49 1HG GLU 49 -5.485 19.216 8.739 345 H ASP 50 H ASP 50 -2.141 17.635 6.628 346 HA ASP 50 HA ASP 50 -1.532 20.092 8.067 347 1HB ASP 50 2HB ASP 50 -0.296 17.772 7.916 348 2HB ASP 50 1HB ASP 50 0.508 18.502 6.529 349 H LYS 51 H LYS 51 -2.645 19.721 5.063 350 HA LYS 51 HA LYS 51 -1.276 22.155 4.072 351 1HB LYS 51 2HB LYS 51 -0.977 19.381 2.998 352 2HB LYS 51 1HB LYS 51 -1.123 20.677 1.808 353 1HG LYS 51 2HG LYS 51 0.765 21.867 2.953 354 2HG LYS 51 1HG LYS 51 0.946 20.476 4.022 355 1HD LYS 51 2HD LYS 51 1.340 19.025 2.059 356 2HD LYS 51 1HD LYS 51 1.192 20.430 1.002 357 1HE LYS 51 2HE LYS 51 3.568 19.865 1.512 358 2HE LYS 51 1HE LYS 51 3.124 21.482 2.060 359 1HZ LYS 51 1HZ LYS 51 4.340 19.745 3.619 360 2HZ LYS 51 2HZ LYS 51 2.736 19.288 3.941 361 3HZ LYS 51 3HZ LYS 51 3.241 20.886 4.223 362 H SER 52 H SER 52 -3.843 19.702 3.624 363 HA SER 52 HA SER 52 -5.978 19.992 2.627 364 1HB SER 52 2HB SER 52 -5.486 22.130 4.297 365 2HB SER 52 1HB SER 52 -5.815 22.961 2.784 366 HG SER 52 HG SER 52 -7.803 22.645 3.507 367 HA PRO 53 HA PRO 53 -5.574 21.205 -1.639 368 1HB PRO 53 2HB PRO 53 -7.414 23.561 -1.372 369 2HB PRO 53 1HB PRO 53 -7.519 22.168 -2.468 370 1HG PRO 53 2HG PRO 53 -9.139 22.315 -0.405 371 2HG PRO 53 1HG PRO 53 -8.360 20.769 -0.807 372 1HD PRO 53 2HD PRO 53 -7.603 22.731 1.342 373 2HD PRO 53 1HD PRO 53 -7.740 20.956 1.429 374 H ASP 54 H ASP 54 -3.629 22.305 0.061 375 HA ASP 54 HA ASP 54 -3.013 24.950 -1.168 376 1HB ASP 54 2HB ASP 54 -3.421 24.798 1.389 377 2HB ASP 54 1HB ASP 54 -1.875 23.940 1.460 378 H SER 55 H SER 55 -1.458 24.651 -2.679 379 HA SER 55 HA SER 55 0.661 24.143 -3.513 380 1HB SER 55 2HB SER 55 1.106 23.818 -0.834 381 2HB SER 55 1HB SER 55 1.413 22.180 -1.401 382 HG SER 55 HG SER 55 2.490 24.406 -2.747 383 HA PRO 56 HA PRO 56 0.282 20.354 -5.793 384 1HB PRO 56 2HB PRO 56 2.625 19.021 -4.480 385 2HB PRO 56 1HB PRO 56 2.288 19.270 -6.205 386 1HG PRO 56 2HG PRO 56 4.077 20.757 -4.984 387 2HG PRO 56 1HG PRO 56 2.950 21.488 -6.145 388 1HD PRO 56 2HD PRO 56 2.885 21.580 -3.139 389 2HD PRO 56 1HD PRO 56 2.545 22.866 -4.323 390 H GLU 57 H GLU 57 -0.407 20.245 -2.613 391 HA GLU 57 HA GLU 57 -0.413 17.623 -1.694 392 1HB GLU 57 2HB GLU 57 -1.429 19.368 -0.341 393 2HB GLU 57 1HB GLU 57 -2.689 19.630 -1.547 394 1HG GLU 57 2HG GLU 57 -3.617 17.416 -1.123 395 2HG GLU 57 1HG GLU 57 -2.277 17.026 -0.042 396 H MET 58 H MET 58 -2.896 19.013 -3.865 397 HA MET 58 HA MET 58 -4.330 16.579 -4.305 398 1HB MET 58 2HB MET 58 -5.043 18.966 -4.885 399 2HB MET 58 1HB MET 58 -4.026 18.815 -6.317 400 1HG MET 58 2HG MET 58 -5.311 16.897 -7.085 401 2HG MET 58 1HG MET 58 -6.273 16.909 -5.606 402 1HE MET 58 1HE MET 58 -8.150 16.710 -7.292 403 2HE MET 58 2HE MET 58 -9.131 18.141 -7.597 404 3HE MET 58 3HE MET 58 -8.722 17.700 -5.942 405 H LYS 59 H LYS 59 -1.592 18.041 -6.041 406 HA LYS 59 HA LYS 59 -1.544 16.215 -8.217 407 1HB LYS 59 2HB LYS 59 0.823 17.634 -6.966 408 2HB LYS 59 1HB LYS 59 0.731 17.002 -8.604 409 1HG LYS 59 2HG LYS 59 -1.332 19.003 -7.683 410 2HG LYS 59 1HG LYS 59 0.266 19.571 -8.145 411 1HD LYS 59 2HD LYS 59 -1.046 17.647 -10.028 412 2HD LYS 59 1HD LYS 59 -1.759 19.251 -9.931 413 1HE LYS 59 2HE LYS 59 0.512 20.236 -10.354 414 2HE LYS 59 1HE LYS 59 1.135 18.601 -10.583 415 1HZ LYS 59 1HZ LYS 59 0.356 19.953 -12.616 416 2HZ LYS 59 2HZ LYS 59 -1.207 19.518 -12.114 417 3HZ LYS 59 3HZ LYS 59 -0.072 18.317 -12.505 418 H ASP 60 H ASP 60 0.624 16.165 -5.317 419 HA ASP 60 HA ASP 60 1.783 13.657 -5.888 420 1HB ASP 60 2HB ASP 60 1.907 13.480 -3.272 421 2HB ASP 60 1HB ASP 60 2.787 14.767 -4.085 422 H PHE 61 H PHE 61 -1.391 14.439 -4.673 423 HA PHE 61 HA PHE 61 -1.971 11.770 -3.735 424 1HB PHE 61 2HB PHE 61 -3.336 13.375 -2.736 425 2HB PHE 61 1HB PHE 61 -3.533 14.293 -4.221 426 HD1 PHE 61 1HD PHE 61 -5.933 14.437 -4.196 427 HD2 PHE 61 2HD PHE 61 -3.994 10.621 -3.922 428 HE1 PHE 61 1HE PHE 61 -8.105 13.305 -4.567 429 HE2 PHE 61 2HE PHE 61 -6.158 9.488 -4.312 430 HZ PHE 61 HZ PHE 61 -8.217 10.830 -4.635 431 H ARG 62 H ARG 62 -2.954 13.644 -6.629 432 HA ARG 62 HA ARG 62 -4.171 11.426 -7.903 433 1HB ARG 62 2HB ARG 62 -2.971 13.940 -9.067 434 2HB ARG 62 1HB ARG 62 -3.857 12.752 -10.021 435 1HG ARG 62 2HG ARG 62 -5.641 13.167 -7.958 436 2HG ARG 62 1HG ARG 62 -4.883 14.751 -8.060 437 1HD ARG 62 2HD ARG 62 -5.311 14.482 -10.637 438 2HD ARG 62 1HD ARG 62 -6.504 13.290 -10.127 439 HE ARG 62 HE ARG 62 -6.787 15.762 -8.650 440 1HH1 ARG 62 1HH2 ARG 62 -7.382 14.166 -11.651 441 2HH1 ARG 62 2HH2 ARG 62 -8.783 15.114 -12.027 442 1HH2 ARG 62 1HH1 ARG 62 -8.623 17.006 -9.133 443 2HH2 ARG 62 2HH1 ARG 62 -9.483 16.712 -10.606 444 H HIS 63 H HIS 63 -0.982 12.868 -8.644 445 HA HIS 63 HA HIS 63 -0.192 10.727 -10.359 446 1HB HIS 63 2HB HIS 63 0.792 13.154 -9.993 447 2HB HIS 63 1HB HIS 63 1.837 12.348 -8.833 448 HD1 HIS 63 1HD HIS 63 3.334 13.468 -11.089 449 HD2 HIS 63 2HD HIS 63 1.566 9.703 -11.412 450 HE1 HIS 63 1HE HIS 63 4.538 12.267 -12.961 451 H GLY 64 H GLY 64 0.412 11.284 -6.891 452 1HA GLY 64 2HA GLY 64 2.205 9.082 -6.540 453 2HA GLY 64 1HA GLY 64 1.326 9.877 -5.248 454 H PHE 65 H PHE 65 -1.276 9.240 -5.608 455 HA PHE 65 HA PHE 65 -1.386 6.505 -4.840 456 1HB PHE 65 2HB PHE 65 -3.520 7.027 -4.232 457 2HB PHE 65 1HB PHE 65 -3.196 8.644 -4.821 458 HD1 PHE 65 1HD PHE 65 -4.573 9.531 -6.512 459 HD2 PHE 65 2HD PHE 65 -4.300 5.271 -6.044 460 HE1 PHE 65 1HE PHE 65 -6.332 9.237 -8.222 461 HE2 PHE 65 2HE PHE 65 -6.063 4.979 -7.763 462 HZ PHE 65 HZ PHE 65 -7.078 6.958 -8.853 463 H ASP 66 H ASP 66 -1.451 7.969 -8.002 464 HA ASP 66 HA ASP 66 -2.576 5.661 -9.354 465 1HB ASP 66 2HB ASP 66 -2.610 7.805 -10.494 466 2HB ASP 66 1HB ASP 66 -0.855 7.940 -10.369 467 H ILE 67 H ILE 67 0.705 6.796 -8.656 468 HA ILE 67 HA ILE 67 2.058 4.698 -10.036 469 HB ILE 67 HB ILE 67 2.896 6.326 -7.618 470 1HG1 ILE 67 2HG1 ILE 67 3.794 6.576 -10.498 471 2HG1 ILE 67 1HG1 ILE 67 2.370 7.429 -9.901 472 1HG2 ILE 67 1HG2 ILE 67 4.426 4.414 -9.401 473 2HG2 ILE 67 2HG2 ILE 67 4.267 4.348 -7.647 474 3HG2 ILE 67 3HG2 ILE 67 5.220 5.629 -8.396 475 1HD1 ILE 67 1HD1 ILE 67 5.112 7.632 -8.618 476 2HD1 ILE 67 2HD1 ILE 67 3.694 8.610 -8.254 477 3HD1 ILE 67 3HD1 ILE 67 4.503 8.780 -9.809 478 H LEU 68 H LEU 68 1.280 4.963 -6.540 479 HA LEU 68 HA LEU 68 2.111 2.357 -5.818 480 1HB LEU 68 2HB LEU 68 0.344 4.441 -4.670 481 2HB LEU 68 1HB LEU 68 -0.137 2.809 -4.208 482 HG LEU 68 HG LEU 68 2.213 2.368 -3.470 483 1HD1 LEU 68 1HD1 LEU 68 3.386 4.020 -4.851 484 2HD1 LEU 68 2HD1 LEU 68 3.691 4.350 -3.148 485 3HD1 LEU 68 3HD1 LEU 68 2.531 5.330 -4.042 486 1HD2 LEU 68 1HD2 LEU 68 2.000 3.565 -1.405 487 2HD2 LEU 68 2HD2 LEU 68 0.363 3.238 -1.969 488 3HD2 LEU 68 3HD2 LEU 68 1.059 4.843 -2.175 489 H VAL 69 H VAL 69 -1.166 3.417 -6.844 490 HA VAL 69 HA VAL 69 -2.261 0.780 -6.876 491 HB VAL 69 HB VAL 69 -2.960 3.391 -8.214 492 1HG1 VAL 69 1HG1 VAL 69 -4.061 0.676 -8.908 493 2HG1 VAL 69 2HG1 VAL 69 -3.678 2.029 -9.974 494 3HG1 VAL 69 3HG1 VAL 69 -5.118 2.090 -8.956 495 1HG2 VAL 69 1HG2 VAL 69 -3.532 2.971 -5.837 496 2HG2 VAL 69 2HG2 VAL 69 -4.448 1.543 -6.321 497 3HG2 VAL 69 3HG2 VAL 69 -4.976 3.146 -6.829 498 H GLY 70 H GLY 70 -0.326 2.554 -9.227 499 1HA GLY 70 2HA GLY 70 -0.723 0.777 -11.443 500 2HA GLY 70 1HA GLY 70 0.624 1.893 -11.261 501 H GLN 71 H GLN 71 2.106 0.989 -9.219 502 HA GLN 71 HA GLN 71 3.328 -1.380 -10.300 503 1HB GLN 71 2HB GLN 71 4.439 -1.118 -7.751 504 2HB GLN 71 1HB GLN 71 5.020 -0.293 -9.196 505 1HG GLN 71 2HG GLN 71 3.821 1.672 -8.704 506 2HG GLN 71 1HG GLN 71 2.800 0.862 -7.515 507 1HE2 GLN 71 1HE2 GLN 71 3.819 3.005 -6.397 508 2HE2 GLN 71 2HE2 GLN 71 5.213 2.686 -5.466 509 H ILE 72 H ILE 72 1.190 -0.878 -7.510 510 HA ILE 72 HA ILE 72 1.477 -3.518 -6.450 511 HB ILE 72 HB ILE 72 -0.942 -1.682 -6.431 512 1HG1 ILE 72 2HG1 ILE 72 1.112 -2.074 -4.244 513 2HG1 ILE 72 1HG1 ILE 72 1.342 -0.860 -5.498 514 1HG2 ILE 72 1HG2 ILE 72 -1.941 -3.061 -4.857 515 2HG2 ILE 72 2HG2 ILE 72 -0.407 -3.635 -4.223 516 3HG2 ILE 72 3HG2 ILE 72 -1.040 -4.304 -5.716 517 1HD1 ILE 72 1HD1 ILE 72 -0.831 -1.022 -3.404 518 2HD1 ILE 72 2HD1 ILE 72 -1.024 -0.023 -4.846 519 3HD1 ILE 72 3HD1 ILE 72 0.289 0.301 -3.717 520 H ASP 73 H ASP 73 -0.627 -2.144 -8.950 521 HA ASP 73 HA ASP 73 -2.093 -4.561 -9.460 522 1HB ASP 73 2HB ASP 73 -2.841 -2.348 -10.275 523 2HB ASP 73 1HB ASP 73 -1.425 -2.250 -11.319 524 H ASP 74 H ASP 74 0.835 -3.121 -10.908 525 HA ASP 74 HA ASP 74 1.305 -5.239 -12.785 526 1HB ASP 74 2HB ASP 74 3.393 -3.464 -11.533 527 2HB ASP 74 1HB ASP 74 3.459 -4.251 -13.107 528 H ALA 75 H ALA 75 2.399 -4.738 -9.435 529 HA ALA 75 HA ALA 75 4.268 -6.926 -9.474 530 1HB ALA 75 1HB ALA 75 4.377 -6.622 -7.055 531 2HB ALA 75 2HB ALA 75 2.910 -5.644 -7.087 532 3HB ALA 75 3HB ALA 75 4.385 -5.048 -7.849 533 H LEU 76 H LEU 76 0.839 -6.681 -8.680 534 HA LEU 76 HA LEU 76 0.683 -9.248 -7.394 535 1HB LEU 76 2HB LEU 76 -1.045 -7.454 -7.183 536 2HB LEU 76 1HB LEU 76 -1.501 -7.723 -8.861 537 HG LEU 76 HG LEU 76 -1.459 -10.192 -7.184 538 1HD1 LEU 76 1HD1 LEU 76 -3.419 -7.945 -6.643 539 2HD1 LEU 76 2HD1 LEU 76 -2.381 -8.773 -5.483 540 3HD1 LEU 76 3HD1 LEU 76 -3.737 -9.627 -6.217 541 1HD2 LEU 76 1HD2 LEU 76 -2.325 -9.829 -9.610 542 2HD2 LEU 76 2HD2 LEU 76 -3.743 -9.113 -8.845 543 3HD2 LEU 76 3HD2 LEU 76 -3.314 -10.793 -8.514 544 H LYS 77 H LYS 77 0.023 -8.218 -10.768 545 HA LYS 77 HA LYS 77 -0.678 -10.814 -11.712 546 1HB LYS 77 2HB LYS 77 0.022 -10.005 -13.970 547 2HB LYS 77 1HB LYS 77 -1.063 -8.886 -13.150 548 1HG LYS 77 2HG LYS 77 0.766 -7.445 -12.546 549 2HG LYS 77 1HG LYS 77 1.956 -8.605 -13.099 550 1HD LYS 77 2HD LYS 77 -0.063 -7.224 -14.872 551 2HD LYS 77 1HD LYS 77 1.627 -6.765 -14.693 552 1HE LYS 77 2HE LYS 77 1.832 -8.126 -16.555 553 2HE LYS 77 1HE LYS 77 2.007 -9.363 -15.309 554 1HZ LYS 77 1HZ LYS 77 0.073 -10.278 -15.872 555 2HZ LYS 77 2HZ LYS 77 0.151 -9.348 -17.292 556 3HZ LYS 77 3HZ LYS 77 -0.730 -8.787 -15.952 557 H LEU 78 H LEU 78 2.476 -9.219 -11.351 558 HA LEU 78 HA LEU 78 4.044 -11.247 -12.562 559 1HB LEU 78 2HB LEU 78 4.637 -8.845 -11.472 560 2HB LEU 78 1HB LEU 78 5.103 -9.861 -10.116 561 HG LEU 78 HG LEU 78 7.043 -9.482 -11.530 562 1HD1 LEU 78 1HD1 LEU 78 6.066 -12.306 -12.046 563 2HD1 LEU 78 2HD1 LEU 78 6.652 -11.745 -10.478 564 3HD1 LEU 78 3HD1 LEU 78 7.735 -11.754 -11.868 565 1HD2 LEU 78 1HD2 LEU 78 5.332 -9.322 -13.653 566 2HD2 LEU 78 2HD2 LEU 78 5.952 -10.956 -13.887 567 3HD2 LEU 78 3HD2 LEU 78 7.065 -9.594 -13.822 568 H ALA 79 H ALA 79 2.982 -10.830 -9.185 569 HA ALA 79 HA ALA 79 4.144 -13.214 -8.162 570 1HB ALA 79 1HB ALA 79 3.113 -11.499 -6.708 571 2HB ALA 79 2HB ALA 79 2.387 -13.080 -6.417 572 3HB ALA 79 3HB ALA 79 1.531 -11.880 -7.384 573 H ASN 80 H ASN 80 0.974 -12.610 -9.680 574 HA ASN 80 HA ASN 80 -0.006 -15.288 -9.517 575 1HB ASN 80 2HB ASN 80 -0.507 -13.133 -11.579 576 2HB ASN 80 1HB ASN 80 -1.423 -14.636 -11.470 577 1HD2 ASN 80 1HD2 ASN 80 -3.229 -12.967 -11.064 578 2HD2 ASN 80 2HD2 ASN 80 -3.505 -12.491 -9.460 579 H GLU 81 H GLU 81 1.107 -13.725 -12.498 580 HA GLU 81 HA GLU 81 1.747 -16.201 -13.819 581 1HB GLU 81 2HB GLU 81 1.079 -14.267 -15.093 582 2HB GLU 81 1HB GLU 81 2.368 -13.291 -14.401 583 1HG GLU 81 2HG GLU 81 2.704 -14.182 -16.791 584 2HG GLU 81 1HG GLU 81 4.037 -14.406 -15.670 585 H GLY 82 H GLY 82 3.319 -15.054 -11.220 586 1HA GLY 82 2HA GLY 82 5.946 -16.104 -12.163 587 2HA GLY 82 1HA GLY 82 5.906 -14.551 -11.356 588 H LYS 83 H LYS 83 7.424 -16.523 -10.255 589 HA LYS 83 HA LYS 83 5.928 -17.992 -8.215 590 1HB LYS 83 2HB LYS 83 8.877 -17.489 -8.684 591 2HB LYS 83 1HB LYS 83 8.288 -18.386 -7.295 592 1HG LYS 83 2HG LYS 83 7.018 -19.826 -9.094 593 2HG LYS 83 1HG LYS 83 8.192 -19.132 -10.211 594 1HD LYS 83 2HD LYS 83 10.044 -20.011 -8.913 595 2HD LYS 83 1HD LYS 83 8.950 -20.552 -7.639 596 1HE LYS 83 2HE LYS 83 7.817 -21.996 -9.425 597 2HE LYS 83 1HE LYS 83 9.202 -21.631 -10.455 598 1HZ LYS 83 1HZ LYS 83 10.564 -22.912 -9.227 599 2HZ LYS 83 2HZ LYS 83 9.123 -23.688 -8.776 600 3HZ LYS 83 3HZ LYS 83 9.817 -22.519 -7.758 601 H VAL 84 H VAL 84 7.564 -17.490 -5.949 602 HA VAL 84 HA VAL 84 6.492 -14.870 -5.137 603 HB VAL 84 HB VAL 84 7.941 -17.049 -3.617 604 1HG1 VAL 84 1HG1 VAL 84 8.507 -15.118 -2.408 605 2HG1 VAL 84 2HG1 VAL 84 7.017 -15.623 -1.617 606 3HG1 VAL 84 3HG1 VAL 84 6.989 -14.310 -2.793 607 1HG2 VAL 84 1HG2 VAL 84 5.049 -16.219 -3.920 608 2HG2 VAL 84 2HG2 VAL 84 5.586 -17.079 -2.480 609 3HG2 VAL 84 3HG2 VAL 84 5.760 -17.826 -4.065 610 H LYS 85 H LYS 85 9.522 -16.516 -5.718 611 HA LYS 85 HA LYS 85 11.296 -14.503 -4.768 612 1HB LYS 85 2HB LYS 85 11.962 -16.834 -5.296 613 2HB LYS 85 1HB LYS 85 11.641 -16.536 -6.998 614 1HG LYS 85 2HG LYS 85 13.990 -16.300 -6.729 615 2HG LYS 85 1HG LYS 85 13.366 -14.663 -6.870 616 1HD LYS 85 2HD LYS 85 13.561 -14.288 -4.508 617 2HD LYS 85 1HD LYS 85 13.833 -16.001 -4.192 618 1HE LYS 85 2HE LYS 85 15.698 -14.113 -5.657 619 2HE LYS 85 1HE LYS 85 15.957 -14.821 -4.065 620 1HZ LYS 85 1HZ LYS 85 16.256 -16.010 -6.691 621 2HZ LYS 85 2HZ LYS 85 15.527 -17.006 -5.523 622 3HZ LYS 85 3HZ LYS 85 17.071 -16.353 -5.242 623 H GLU 86 H GLU 86 9.947 -15.131 -8.029 624 HA GLU 86 HA GLU 86 11.189 -12.878 -9.288 625 1HB GLU 86 2HB GLU 86 8.492 -14.050 -10.016 626 2HB GLU 86 1HB GLU 86 9.623 -13.218 -11.082 627 1HG GLU 86 2HG GLU 86 10.155 -15.858 -9.691 628 2HG GLU 86 1HG GLU 86 9.727 -15.673 -11.392 629 H ALA 87 H ALA 87 8.185 -13.250 -7.455 630 HA ALA 87 HA ALA 87 7.065 -10.689 -8.058 631 1HB ALA 87 1HB ALA 87 6.005 -12.739 -6.853 632 2HB ALA 87 2HB ALA 87 5.524 -11.125 -6.335 633 3HB ALA 87 3HB ALA 87 6.698 -12.044 -5.389 634 H GLN 88 H GLN 88 8.802 -11.688 -5.078 635 HA GLN 88 HA GLN 88 9.018 -9.068 -4.023 636 1HB GLN 88 2HB GLN 88 10.426 -9.977 -2.396 637 2HB GLN 88 1HB GLN 88 9.492 -11.373 -2.919 638 1HG GLN 88 2HG GLN 88 11.617 -12.271 -3.028 639 2HG GLN 88 1HG GLN 88 11.499 -11.634 -4.656 640 1HE2 GLN 88 1HE2 GLN 88 11.667 -8.816 -3.231 641 2HE2 GLN 88 2HE2 GLN 88 13.336 -8.619 -3.013 642 H ALA 89 H ALA 89 10.835 -10.652 -6.530 643 HA ALA 89 HA ALA 89 13.199 -9.069 -6.498 644 1HB ALA 89 1HB ALA 89 13.520 -9.787 -8.771 645 2HB ALA 89 2HB ALA 89 11.795 -10.089 -8.980 646 3HB ALA 89 3HB ALA 89 12.751 -11.125 -7.921 647 H ALA 90 H ALA 90 10.159 -8.588 -8.311 648 HA ALA 90 HA ALA 90 10.848 -6.128 -9.523 649 1HB ALA 90 1HB ALA 90 8.395 -5.767 -9.711 650 2HB ALA 90 2HB ALA 90 8.133 -7.128 -8.621 651 3HB ALA 90 3HB ALA 90 8.870 -7.396 -10.199 652 H ALA 91 H ALA 91 9.651 -6.869 -6.287 653 HA ALA 91 HA ALA 91 8.981 -4.180 -5.535 654 1HB ALA 91 1HB ALA 91 8.390 -6.346 -4.297 655 2HB ALA 91 2HB ALA 91 8.916 -4.994 -3.292 656 3HB ALA 91 3HB ALA 91 10.035 -6.305 -3.661 657 H GLU 92 H GLU 92 12.002 -6.010 -5.485 658 HA GLU 92 HA GLU 92 13.551 -4.213 -3.924 659 1HB GLU 92 2HB GLU 92 14.425 -5.972 -6.230 660 2HB GLU 92 1HB GLU 92 15.491 -5.278 -5.008 661 1HG GLU 92 2HG GLU 92 13.150 -6.847 -3.991 662 2HG GLU 92 1HG GLU 92 14.425 -7.765 -4.781 663 H GLN 93 H GLN 93 13.191 -4.371 -7.503 664 HA GLN 93 HA GLN 93 14.837 -2.048 -7.924 665 1HB GLN 93 2HB GLN 93 13.586 -1.890 -10.140 666 2HB GLN 93 1HB GLN 93 14.399 -3.425 -9.833 667 1HG GLN 93 2HG GLN 93 12.276 -4.380 -9.023 668 2HG GLN 93 1HG GLN 93 11.459 -2.857 -9.366 669 1HE2 GLN 93 1HE2 GLN 93 10.676 -2.583 -11.473 670 2HE2 GLN 93 2HE2 GLN 93 11.073 -3.582 -12.787 671 H LEU 94 H LEU 94 11.347 -2.446 -7.367 672 HA LEU 94 HA LEU 94 10.813 0.399 -7.663 673 1HB LEU 94 2HB LEU 94 9.215 -1.917 -6.556 674 2HB LEU 94 1HB LEU 94 8.610 -0.261 -6.508 675 HG LEU 94 HG LEU 94 9.604 -1.447 -9.103 676 1HD1 LEU 94 1HD1 LEU 94 6.844 -1.749 -7.890 677 2HD1 LEU 94 2HD1 LEU 94 7.961 -3.045 -8.318 678 3HD1 LEU 94 3HD1 LEU 94 7.225 -2.064 -9.585 679 1HD2 LEU 94 1HD2 LEU 94 7.658 0.759 -8.345 680 2HD2 LEU 94 2HD2 LEU 94 7.821 0.140 -9.987 681 3HD2 LEU 94 3HD2 LEU 94 9.188 0.927 -9.203 682 H LYS 95 H LYS 95 12.051 -1.616 -5.137 683 HA LYS 95 HA LYS 95 11.184 0.002 -2.903 684 1HB LYS 95 2HB LYS 95 12.013 -2.196 -2.415 685 2HB LYS 95 1HB LYS 95 13.504 -1.910 -3.295 686 1HG LYS 95 2HG LYS 95 12.981 -0.006 -1.064 687 2HG LYS 95 1HG LYS 95 13.279 -1.670 -0.573 688 1HD LYS 95 2HD LYS 95 15.430 -1.710 -1.575 689 2HD LYS 95 1HD LYS 95 15.111 -0.260 -2.523 690 1HE LYS 95 2HE LYS 95 15.421 -0.407 0.490 691 2HE LYS 95 1HE LYS 95 16.561 0.313 -0.649 692 1HZ LYS 95 1HZ LYS 95 14.261 1.560 -1.269 693 2HZ LYS 95 2HZ LYS 95 15.448 2.185 -0.226 694 3HZ LYS 95 3HZ LYS 95 14.095 1.372 0.408 695 H THR 96 H THR 96 13.836 0.122 -5.192 696 HA THR 96 HA THR 96 15.318 2.219 -3.882 697 HB THR 96 HB THR 96 15.266 1.471 -6.821 698 HG1 THR 96 1HG THR 96 16.278 0.211 -4.575 699 1HG2 THR 96 1HG2 THR 96 17.569 2.512 -5.183 700 2HG2 THR 96 2HG2 THR 96 16.451 3.594 -6.011 701 3HG2 THR 96 3HG2 THR 96 17.420 2.448 -6.937 702 H THR 97 H THR 97 12.760 2.082 -6.346 703 HA THR 97 HA THR 97 12.792 4.985 -6.729 704 HB THR 97 HB THR 97 10.664 3.070 -7.700 705 HG1 THR 97 1HG THR 97 12.937 3.646 -9.215 706 1HG2 THR 97 1HG2 THR 97 10.449 4.649 -9.491 707 2HG2 THR 97 2HG2 THR 97 11.908 5.501 -8.989 708 3HG2 THR 97 3HG2 THR 97 10.460 5.566 -7.986 709 H GLY 98 H GLY 98 10.002 2.872 -6.028 710 1HA GLY 98 2HA GLY 98 8.148 3.259 -4.647 711 2HA GLY 98 1HA GLY 98 9.353 3.764 -3.461 712 H ARG 99 H ARG 99 7.038 4.863 -5.826 713 HA ARG 99 HA ARG 99 6.193 6.993 -6.311 714 1HB ARG 99 2HB ARG 99 5.476 6.870 -3.986 715 2HB ARG 99 1HB ARG 99 7.060 7.422 -3.439 716 1HG ARG 99 2HG ARG 99 6.710 9.611 -4.161 717 2HG ARG 99 1HG ARG 99 5.557 9.132 -5.407 718 1HD ARG 99 2HD ARG 99 4.708 10.312 -3.196 719 2HD ARG 99 1HD ARG 99 3.782 8.993 -3.908 720 HE ARG 99 HE ARG 99 5.753 8.107 -1.939 721 1HH1 ARG 99 1HH2 ARG 99 2.572 9.284 -2.562 722 2HH1 ARG 99 2HH2 ARG 99 1.891 8.589 -1.132 723 1HH2 ARG 99 1HH1 ARG 99 4.878 7.192 -0.068 724 2HH2 ARG 99 2HH1 ARG 99 3.197 7.405 0.282 725 H ALA 100 H ALA 100 8.611 8.245 -4.062 726 HA ALA 100 HA ALA 100 10.624 9.406 -4.469 727 1HB ALA 100 1HB ALA 100 10.185 9.480 -7.437 728 2HB ALA 100 2HB ALA 100 10.621 7.943 -6.694 729 3HB ALA 100 3HB ALA 100 11.689 9.332 -6.525 730 H GLY 101 H GLY 101 8.294 10.597 -3.791 731 1HA GLY 101 2HA GLY 101 8.668 13.293 -4.839 732 2HA GLY 101 1HA GLY 101 7.111 12.590 -5.274 733 H ASN 102 H ASN 102 8.388 11.466 -2.300 734 HA ASN 102 HA ASN 102 6.236 12.837 -0.832 735 1HB ASN 102 2HB ASN 102 6.976 10.353 -0.607 736 2HB ASN 102 1HB ASN 102 8.286 10.991 0.390 737 1HD2 ASN 102 1HD2 ASN 102 7.139 12.939 1.923 738 2HD2 ASN 102 2HD2 ASN 102 5.834 12.335 2.825 739 H GLN 103 H GLN 103 8.533 14.453 -1.771 740 HA GLN 103 HA GLN 103 9.534 15.424 0.883 741 1HB GLN 103 2HB GLN 103 11.258 14.260 -0.577 742 2HB GLN 103 1HB GLN 103 11.019 15.568 -1.744 743 1HG GLN 103 2HG GLN 103 11.513 17.188 0.158 744 2HG GLN 103 1HG GLN 103 12.061 15.794 1.087 745 1HE2 GLN 103 1HE2 GLN 103 12.556 17.232 -2.193 746 2HE2 GLN 103 2HE2 GLN 103 14.218 16.874 -2.253 747 H LYS 104 H LYS 104 8.326 16.112 -2.310 748 HA LYS 104 HA LYS 104 8.592 19.018 -1.920 749 1HB LYS 104 2HB LYS 104 8.234 19.177 -4.202 750 2HB LYS 104 1HB LYS 104 8.760 17.501 -4.148 751 1HG LYS 104 2HG LYS 104 6.228 16.925 -3.825 752 2HG LYS 104 1HG LYS 104 5.945 18.576 -4.385 753 1HD LYS 104 2HD LYS 104 7.405 18.019 -6.402 754 2HD LYS 104 1HD LYS 104 7.324 16.336 -5.884 755 1HE LYS 104 2HE LYS 104 4.889 16.350 -6.063 756 2HE LYS 104 1HE LYS 104 4.900 18.070 -6.456 757 1HZ LYS 104 1HZ LYS 104 6.140 15.908 -8.071 758 2HZ LYS 104 2HZ LYS 104 6.183 17.566 -8.445 759 3HZ LYS 104 3HZ LYS 104 4.702 16.733 -8.444 760 H GLY 105 H GLY 105 6.385 16.514 -1.279 761 1HA GLY 105 2HA GLY 105 4.305 18.470 -0.483 762 2HA GLY 105 1HA GLY 105 3.859 17.214 -1.647 763 H GLY 106 H GLY 106 6.126 16.788 1.032 764 1HA GLY 106 2HA GLY 106 4.381 14.625 2.095 765 2HA GLY 106 1HA GLY 106 6.095 14.832 2.451 Start of MODEL 9 1 1H ALA 1 1HT ALA 1 -3.257 -6.162 13.825 2 2H ALA 1 2HT ALA 1 -4.128 -5.555 15.149 3 3H ALA 1 3HT ALA 1 -2.517 -5.079 14.902 4 HA ALA 1 HA ALA 1 -4.475 -4.559 12.782 5 1HB ALA 1 1HB ALA 1 -5.526 -3.784 14.914 6 2HB ALA 1 2HB ALA 1 -5.113 -2.447 13.839 7 3HB ALA 1 3HB ALA 1 -4.094 -2.807 15.232 8 H ASP 2 H ASP 2 -2.811 -4.370 11.287 9 HA ASP 2 HA ASP 2 -0.934 -3.458 10.221 10 1HB ASP 2 2HB ASP 2 -1.355 -1.075 12.041 11 2HB ASP 2 1HB ASP 2 -0.652 -1.092 10.422 12 H LEU 3 H LEU 3 0.762 -4.753 10.944 13 HA LEU 3 HA LEU 3 2.499 -3.599 13.042 14 1HB LEU 3 2HB LEU 3 2.747 -6.093 13.905 15 2HB LEU 3 1HB LEU 3 1.454 -5.071 14.519 16 HG LEU 3 HG LEU 3 0.741 -6.551 12.028 17 1HD1 LEU 3 1HD1 LEU 3 1.939 -8.385 12.898 18 2HD1 LEU 3 2HD1 LEU 3 0.290 -8.655 13.460 19 3HD1 LEU 3 3HD1 LEU 3 1.502 -7.998 14.561 20 1HD2 LEU 3 1HD2 LEU 3 -0.705 -6.614 14.676 21 2HD2 LEU 3 2HD2 LEU 3 -1.376 -6.679 13.044 22 3HD2 LEU 3 3HD2 LEU 3 -0.740 -5.161 13.680 23 H GLU 4 H GLU 4 2.454 -6.839 11.600 24 HA GLU 4 HA GLU 4 4.167 -7.977 10.484 25 1HB GLU 4 2HB GLU 4 4.598 -7.079 8.273 26 2HB GLU 4 1HB GLU 4 2.930 -6.743 8.692 27 1HG GLU 4 2HG GLU 4 3.355 -4.446 9.094 28 2HG GLU 4 1HG GLU 4 5.097 -4.678 9.167 29 H ASP 5 H ASP 5 6.393 -6.561 9.016 30 HA ASP 5 HA ASP 5 8.629 -6.113 9.492 31 1HB ASP 5 2HB ASP 5 8.976 -4.057 10.569 32 2HB ASP 5 1HB ASP 5 7.305 -3.927 10.030 33 H ASN 6 H ASN 6 6.876 -7.980 11.426 34 HA ASN 6 HA ASN 6 8.835 -8.141 13.653 35 1HB ASN 6 2HB ASN 6 6.077 -9.292 13.211 36 2HB ASN 6 1HB ASN 6 7.092 -9.744 14.585 37 1HD2 ASN 6 1HD2 ASN 6 4.604 -7.725 13.858 38 2HD2 ASN 6 2HD2 ASN 6 4.943 -6.436 14.910 39 H ASP 7 H ASP 7 10.528 -9.481 13.250 40 HA ASP 7 HA ASP 7 9.975 -12.166 12.101 41 1HB ASP 7 2HB ASP 7 12.199 -11.823 10.779 42 2HB ASP 7 1HB ASP 7 10.721 -11.110 10.133 43 H GLU 8 H GLU 8 10.333 -12.926 14.244 44 HA GLU 8 HA GLU 8 11.615 -13.700 16.037 45 1HB GLU 8 2HB GLU 8 13.855 -13.526 14.014 46 2HB GLU 8 1HB GLU 8 13.805 -14.554 15.447 47 1HG GLU 8 2HG GLU 8 11.744 -15.647 14.497 48 2HG GLU 8 1HG GLU 8 12.014 -14.734 13.013 49 H THR 9 H THR 9 11.384 -10.759 15.658 50 HA THR 9 HA THR 9 13.982 -9.764 16.644 51 HB THR 9 HB THR 9 11.392 -8.413 15.836 52 HG1 THR 9 1HG THR 9 12.488 -8.700 14.048 53 1HG2 THR 9 1HG2 THR 9 12.081 -6.967 17.526 54 2HG2 THR 9 2HG2 THR 9 12.936 -6.304 16.133 55 3HG2 THR 9 3HG2 THR 9 13.790 -7.328 17.287 56 H GLY 10 H GLY 10 11.495 -11.353 17.861 57 1HA GLY 10 2HA GLY 10 11.901 -10.268 20.589 58 2HA GLY 10 1HA GLY 10 10.239 -10.302 19.986 59 H ASN 11 H ASN 11 10.347 -12.664 18.500 60 HA ASN 11 HA ASN 11 9.813 -14.907 18.869 61 1HB ASN 11 2HB ASN 11 11.701 -16.234 19.411 62 2HB ASN 11 1HB ASN 11 12.349 -14.788 18.635 63 1HD2 ASN 11 1HD2 ASN 11 11.904 -16.369 21.804 64 2HD2 ASN 11 2HD2 ASN 11 13.092 -15.462 22.607 65 H ASP 12 H ASP 12 8.991 -12.947 21.024 66 HA ASP 12 HA ASP 12 8.988 -14.719 23.416 67 1HB ASP 12 2HB ASP 12 9.435 -12.228 23.645 68 2HB ASP 12 1HB ASP 12 7.771 -11.952 23.130 69 H ASN 13 H ASN 13 7.182 -13.900 20.673 70 HA ASN 13 HA ASN 13 5.013 -15.692 21.450 71 1HB ASN 13 2HB ASN 13 4.251 -13.582 22.495 72 2HB ASN 13 1HB ASN 13 4.396 -12.765 20.938 73 1HD2 ASN 13 1HD2 ASN 13 2.258 -12.455 20.230 74 2HD2 ASN 13 2HD2 ASN 13 1.077 -13.674 20.185 75 H GLY 14 H GLY 14 7.131 -14.990 19.302 76 1HA GLY 14 2HA GLY 14 7.289 -15.514 17.012 77 2HA GLY 14 1HA GLY 14 5.565 -15.888 17.025 78 H LYS 15 H LYS 15 4.672 -13.433 18.090 79 HA LYS 15 HA LYS 15 3.768 -11.462 17.135 80 1HB LYS 15 2HB LYS 15 6.766 -11.090 17.043 81 2HB LYS 15 1HB LYS 15 5.623 -9.778 16.762 82 1HG LYS 15 2HG LYS 15 5.105 -9.588 18.991 83 2HG LYS 15 1HG LYS 15 5.024 -11.331 19.215 84 1HD LYS 15 2HD LYS 15 7.395 -11.502 19.492 85 2HD LYS 15 1HD LYS 15 7.644 -9.834 18.969 86 1HE LYS 15 2HE LYS 15 7.755 -10.100 21.461 87 2HE LYS 15 1HE LYS 15 6.483 -8.994 20.944 88 1HZ LYS 15 1HZ LYS 15 4.962 -10.980 21.027 89 2HZ LYS 15 2HZ LYS 15 5.520 -10.416 22.529 90 3HZ LYS 15 3HZ LYS 15 6.206 -11.805 21.832 91 H GLY 16 H GLY 16 4.312 -13.685 15.158 92 1HA GLY 16 2HA GLY 16 5.069 -12.190 12.711 93 2HA GLY 16 1HA GLY 16 4.732 -13.920 12.809 94 H GLY 17 H GLY 17 2.480 -14.594 12.973 95 1HA GLY 17 2HA GLY 17 0.199 -14.466 12.431 96 2HA GLY 17 1HA GLY 17 0.283 -12.748 12.817 97 H GLU 18 H GLU 18 2.623 -12.956 10.623 98 HA GLU 18 HA GLU 18 0.816 -12.196 8.391 99 1HB GLU 18 2HB GLU 18 2.726 -10.720 9.018 100 2HB GLU 18 1HB GLU 18 3.835 -12.028 8.611 101 1HG GLU 18 2HG GLU 18 3.270 -11.953 6.311 102 2HG GLU 18 1HG GLU 18 1.810 -11.007 6.615 103 H LYS 19 H LYS 19 2.820 -14.790 9.455 104 HA LYS 19 HA LYS 19 3.491 -16.786 8.457 105 1HB LYS 19 2HB LYS 19 1.623 -17.919 7.812 106 2HB LYS 19 1HB LYS 19 0.759 -16.398 7.956 107 1HG LYS 19 2HG LYS 19 1.339 -15.925 5.537 108 2HG LYS 19 1HG LYS 19 2.003 -17.557 5.429 109 1HD LYS 19 2HD LYS 19 -0.844 -16.890 6.252 110 2HD LYS 19 1HD LYS 19 -0.364 -17.425 4.643 111 1HE LYS 19 2HE LYS 19 -0.982 -19.456 5.593 112 2HE LYS 19 1HE LYS 19 0.733 -19.439 6.001 113 1HZ LYS 19 1HZ LYS 19 -1.496 -19.443 7.725 114 2HZ LYS 19 2HZ LYS 19 -0.605 -18.019 7.984 115 3HZ LYS 19 3HZ LYS 19 0.151 -19.536 8.122 116 H ALA 20 H ALA 20 4.063 -17.814 6.305 117 HA ALA 20 HA ALA 20 4.703 -15.923 4.134 118 1HB ALA 20 1HB ALA 20 6.856 -17.557 5.523 119 2HB ALA 20 2HB ALA 20 6.654 -15.816 5.710 120 3HB ALA 20 3HB ALA 20 7.082 -16.488 4.139 121 H ASP 21 H ASP 21 2.902 -17.590 3.564 122 HA ASP 21 HA ASP 21 3.775 -20.316 3.065 123 1HB ASP 21 2HB ASP 21 1.350 -19.445 3.486 124 2HB ASP 21 1HB ASP 21 1.373 -19.022 1.776 125 H ASN 22 H ASN 22 4.944 -17.727 1.824 126 HA ASN 22 HA ASN 22 5.949 -17.153 -0.203 127 1HB ASN 22 2HB ASN 22 5.969 -20.065 -0.062 128 2HB ASN 22 1HB ASN 22 5.765 -19.563 -1.731 129 1HD2 ASN 22 1HD2 ASN 22 7.467 -17.988 -2.582 130 2HD2 ASN 22 2HD2 ASN 22 9.029 -18.086 -1.929 131 H ALA 23 H ALA 23 4.542 -15.776 -1.156 132 HA ALA 23 HA ALA 23 3.222 -15.164 -3.055 133 1HB ALA 23 1HB ALA 23 3.295 -17.661 -3.781 134 2HB ALA 23 2HB ALA 23 1.940 -16.668 -4.310 135 3HB ALA 23 3HB ALA 23 1.735 -17.783 -2.962 136 H ALA 24 H ALA 24 1.896 -16.924 -0.271 137 HA ALA 24 HA ALA 24 -0.680 -15.609 -0.373 138 1HB ALA 24 1HB ALA 24 -0.332 -17.651 0.970 139 2HB ALA 24 2HB ALA 24 -0.888 -16.329 1.993 140 3HB ALA 24 3HB ALA 24 0.813 -16.785 1.997 141 H GLN 25 H GLN 25 2.104 -15.089 1.813 142 HA GLN 25 HA GLN 25 1.192 -12.605 2.840 143 1HB GLN 25 2HB GLN 25 3.429 -12.318 3.691 144 2HB GLN 25 1HB GLN 25 3.065 -14.042 3.769 145 1HG GLN 25 2HG GLN 25 4.297 -14.403 1.659 146 2HG GLN 25 1HG GLN 25 4.670 -12.685 1.562 147 1HE2 GLN 25 1HE2 GLN 25 6.975 -13.902 1.620 148 2HE2 GLN 25 2HE2 GLN 25 7.661 -14.018 3.168 149 H VAL 26 H VAL 26 2.708 -13.418 -0.187 150 HA VAL 26 HA VAL 26 3.744 -10.809 -0.793 151 HB VAL 26 HB VAL 26 2.842 -12.882 -2.799 152 1HG1 VAL 26 1HG1 VAL 26 3.387 -10.781 -3.830 153 2HG1 VAL 26 2HG1 VAL 26 4.768 -11.849 -4.084 154 3HG1 VAL 26 3HG1 VAL 26 4.833 -10.600 -2.840 155 1HG2 VAL 26 1HG2 VAL 26 5.112 -13.795 -2.657 156 2HG2 VAL 26 2HG2 VAL 26 4.341 -13.881 -1.073 157 3HG2 VAL 26 3HG2 VAL 26 5.533 -12.624 -1.410 158 H LYS 27 H LYS 27 0.799 -12.415 -2.131 159 HA LYS 27 HA LYS 27 -0.084 -10.101 -3.513 160 1HB LYS 27 2HB LYS 27 -2.195 -11.214 -3.760 161 2HB LYS 27 1HB LYS 27 -0.948 -12.461 -3.800 162 1HG LYS 27 2HG LYS 27 -1.347 -12.723 -1.284 163 2HG LYS 27 1HG LYS 27 -2.800 -11.751 -1.519 164 1HD LYS 27 2HD LYS 27 -3.563 -13.372 -3.250 165 2HD LYS 27 1HD LYS 27 -2.148 -14.367 -2.908 166 1HE LYS 27 2HE LYS 27 -3.056 -15.193 -0.962 167 2HE LYS 27 1HE LYS 27 -3.747 -13.637 -0.505 168 1HZ LYS 27 1HZ LYS 27 -4.885 -15.763 -2.150 169 2HZ LYS 27 2HZ LYS 27 -5.271 -14.162 -2.564 170 3HZ LYS 27 3HZ LYS 27 -5.630 -14.747 -1.012 171 H ASP 28 H ASP 28 -0.969 -11.219 -0.235 172 HA ASP 28 HA ASP 28 -2.848 -9.172 0.318 173 1HB ASP 28 2HB ASP 28 -2.378 -11.198 1.746 174 2HB ASP 28 1HB ASP 28 -0.910 -10.391 2.303 175 H ALA 29 H ALA 29 0.670 -9.158 0.390 176 HA ALA 29 HA ALA 29 0.999 -6.668 1.772 177 1HB ALA 29 1HB ALA 29 2.809 -8.360 1.441 178 2HB ALA 29 2HB ALA 29 3.285 -6.738 0.933 179 3HB ALA 29 3HB ALA 29 2.836 -7.944 -0.273 180 H LEU 30 H LEU 30 0.815 -7.468 -1.695 181 HA LEU 30 HA LEU 30 1.174 -4.790 -2.569 182 1HB LEU 30 2HB LEU 30 -0.594 -6.794 -3.960 183 2HB LEU 30 1HB LEU 30 0.357 -5.504 -4.687 184 HG LEU 30 HG LEU 30 1.539 -7.885 -3.236 185 1HD1 LEU 30 1HD1 LEU 30 0.529 -8.669 -5.270 186 2HD1 LEU 30 2HD1 LEU 30 2.264 -8.539 -5.558 187 3HD1 LEU 30 3HD1 LEU 30 1.173 -7.299 -6.177 188 1HD2 LEU 30 1HD2 LEU 30 3.622 -7.048 -4.447 189 2HD2 LEU 30 2HD2 LEU 30 3.056 -6.035 -3.119 190 3HD2 LEU 30 3HD2 LEU 30 2.718 -5.574 -4.788 191 H THR 31 H THR 31 -1.754 -6.658 -1.849 192 HA THR 31 HA THR 31 -3.587 -4.500 -2.282 193 HB THR 31 HB THR 31 -4.294 -6.536 -0.222 194 HG1 THR 31 1HG THR 31 -3.432 -8.084 -1.315 195 1HG2 THR 31 1HG2 THR 31 -5.901 -4.975 -1.449 196 2HG2 THR 31 2HG2 THR 31 -6.327 -6.684 -1.460 197 3HG2 THR 31 3HG2 THR 31 -5.597 -5.951 -2.887 198 H LYS 32 H LYS 32 -1.512 -5.335 0.432 199 HA LYS 32 HA LYS 32 -2.863 -3.834 2.454 200 1HB LYS 32 2HB LYS 32 -0.928 -5.368 2.905 201 2HB LYS 32 1HB LYS 32 0.138 -4.206 2.125 202 1HG LYS 32 2HG LYS 32 -1.601 -3.120 4.305 203 2HG LYS 32 1HG LYS 32 -0.323 -4.219 4.809 204 1HD LYS 32 2HD LYS 32 1.369 -2.838 3.731 205 2HD LYS 32 1HD LYS 32 0.140 -1.772 3.073 206 1HE LYS 32 2HE LYS 32 -0.229 -0.715 5.092 207 2HE LYS 32 1HE LYS 32 0.117 -2.167 6.036 208 1HZ LYS 32 1HZ LYS 32 1.850 -0.512 6.290 209 2HZ LYS 32 2HZ LYS 32 2.130 -0.510 4.615 210 3HZ LYS 32 3HZ LYS 32 2.457 -1.902 5.536 211 H MET 33 H MET 33 -0.208 -2.935 0.244 212 HA MET 33 HA MET 33 -0.182 -0.166 0.949 213 1HB MET 33 2HB MET 33 0.486 -1.349 -1.764 214 2HB MET 33 1HB MET 33 1.066 0.182 -1.106 215 1HG MET 33 2HG MET 33 2.064 -1.202 0.815 216 2HG MET 33 1HG MET 33 1.753 -2.616 -0.191 217 1HE MET 33 1HE MET 33 5.369 -2.668 -0.985 218 2HE MET 33 2HE MET 33 3.936 -3.420 -0.293 219 3HE MET 33 3HE MET 33 4.794 -2.180 0.616 220 H ARG 34 H ARG 34 -2.216 -2.034 -1.233 221 HA ARG 34 HA ARG 34 -3.371 0.090 -2.742 222 1HB ARG 34 2HB ARG 34 -3.725 -2.342 -3.220 223 2HB ARG 34 1HB ARG 34 -4.745 -2.437 -1.791 224 1HG ARG 34 2HG ARG 34 -6.340 -0.927 -2.689 225 2HG ARG 34 1HG ARG 34 -5.271 -0.481 -4.021 226 1HD ARG 34 2HD ARG 34 -5.456 -2.687 -4.992 227 2HD ARG 34 1HD ARG 34 -6.355 -3.281 -3.589 228 HE ARG 34 HE ARG 34 -7.574 -1.001 -5.005 229 1HH1 ARG 34 1HH2 ARG 34 -7.339 -4.425 -4.557 230 2HH1 ARG 34 2HH2 ARG 34 -8.890 -4.748 -5.256 231 1HH2 ARG 34 1HH1 ARG 34 -9.593 -1.432 -5.944 232 2HH2 ARG 34 2HH1 ARG 34 -10.163 -3.066 -6.021 233 H ALA 35 H ALA 35 -4.986 -1.572 -0.023 234 HA ALA 35 HA ALA 35 -6.921 0.472 0.383 235 1HB ALA 35 1HB ALA 35 -7.291 -1.699 1.343 236 2HB ALA 35 2HB ALA 35 -7.154 -0.562 2.682 237 3HB ALA 35 3HB ALA 35 -5.796 -1.605 2.272 238 H ALA 36 H ALA 36 -3.611 0.201 1.535 239 HA ALA 36 HA ALA 36 -3.739 2.058 3.688 240 1HB ALA 36 1HB ALA 36 -1.377 2.192 3.543 241 2HB ALA 36 2HB ALA 36 -1.379 1.834 1.816 242 3HB ALA 36 3HB ALA 36 -1.767 0.566 2.978 243 H ALA 37 H ALA 37 -3.041 2.610 0.229 244 HA ALA 37 HA ALA 37 -2.661 5.422 0.422 245 1HB ALA 37 1HB ALA 37 -3.890 3.989 -1.942 246 2HB ALA 37 2HB ALA 37 -2.168 3.915 -1.571 247 3HB ALA 37 3HB ALA 37 -2.919 5.462 -1.958 248 H LEU 38 H LEU 38 -5.618 3.501 -0.103 249 HA LEU 38 HA LEU 38 -7.358 5.738 -0.517 250 1HB LEU 38 2HB LEU 38 -8.181 3.150 0.809 251 2HB LEU 38 1HB LEU 38 -9.154 4.220 -0.196 252 HG LEU 38 HG LEU 38 -6.789 2.565 -1.119 253 1HD1 LEU 38 1HD1 LEU 38 -8.403 1.235 -2.288 254 2HD1 LEU 38 2HD1 LEU 38 -9.699 2.377 -1.932 255 3HD1 LEU 38 3HD1 LEU 38 -9.003 1.403 -0.638 256 1HD2 LEU 38 1HD2 LEU 38 -8.533 4.609 -2.510 257 2HD2 LEU 38 2HD2 LEU 38 -7.651 3.374 -3.407 258 3HD2 LEU 38 3HD2 LEU 38 -6.771 4.552 -2.435 259 H ASP 39 H ASP 39 -6.615 3.877 2.446 260 HA ASP 39 HA ASP 39 -8.281 5.376 4.185 261 1HB ASP 39 2HB ASP 39 -6.963 3.184 4.617 262 2HB ASP 39 1HB ASP 39 -5.619 4.244 5.052 263 H ALA 40 H ALA 40 -4.826 5.857 3.397 264 HA ALA 40 HA ALA 40 -4.544 8.172 5.079 265 1HB ALA 40 1HB ALA 40 -2.574 6.956 4.334 266 2HB ALA 40 2HB ALA 40 -2.493 8.601 3.703 267 3HB ALA 40 3HB ALA 40 -2.974 7.273 2.645 268 H GLN 41 H GLN 41 -6.204 7.664 2.189 269 HA GLN 41 HA GLN 41 -5.814 10.234 0.948 270 1HB GLN 41 2HB GLN 41 -6.808 7.907 0.089 271 2HB GLN 41 1HB GLN 41 -8.333 8.642 0.557 272 1HG GLN 41 2HG GLN 41 -7.373 10.711 -0.817 273 2HG GLN 41 1HG GLN 41 -6.399 9.462 -1.591 274 1HE2 GLN 41 1HE2 GLN 41 -8.117 7.308 -1.811 275 2HE2 GLN 41 2HE2 GLN 41 -9.491 7.723 -2.718 276 H LYS 42 H LYS 42 -8.757 10.526 0.589 277 HA LYS 42 HA LYS 42 -9.242 12.463 2.698 278 1HB LYS 42 2HB LYS 42 -11.254 11.370 0.708 279 2HB LYS 42 1HB LYS 42 -11.327 12.912 1.557 280 1HG LYS 42 2HG LYS 42 -8.984 12.297 -0.244 281 2HG LYS 42 1HG LYS 42 -10.494 12.850 -0.949 282 1HD LYS 42 2HD LYS 42 -9.410 14.406 1.382 283 2HD LYS 42 1HD LYS 42 -8.578 14.563 -0.161 284 1HE LYS 42 2HE LYS 42 -11.534 15.063 0.315 285 2HE LYS 42 1HE LYS 42 -10.301 16.296 0.044 286 1HZ LYS 42 1HZ LYS 42 -11.285 14.256 -1.855 287 2HZ LYS 42 2HZ LYS 42 -9.831 15.099 -2.109 288 3HZ LYS 42 3HZ LYS 42 -11.303 15.942 -2.027 289 H ALA 43 H ALA 43 -8.815 10.258 4.141 290 HA ALA 43 HA ALA 43 -11.539 9.562 5.156 291 1HB ALA 43 1HB ALA 43 -9.443 7.424 4.720 292 2HB ALA 43 2HB ALA 43 -10.717 7.764 3.549 293 3HB ALA 43 3HB ALA 43 -11.134 7.205 5.169 294 H THR 44 H THR 44 -8.029 9.270 5.705 295 HA THR 44 HA THR 44 -8.485 9.882 8.574 296 HB THR 44 HB THR 44 -6.623 7.680 7.624 297 HG1 THR 44 1HG THR 44 -8.240 6.281 8.399 298 1HG2 THR 44 1HG2 THR 44 -7.765 8.139 10.381 299 2HG2 THR 44 2HG2 THR 44 -6.261 8.896 9.862 300 3HG2 THR 44 3HG2 THR 44 -6.387 7.139 9.924 301 HA PRO 45 HA PRO 45 -5.458 12.416 5.751 302 1HB PRO 45 2HB PRO 45 -6.591 14.139 7.947 303 2HB PRO 45 1HB PRO 45 -6.123 14.597 6.296 304 1HG PRO 45 2HG PRO 45 -8.690 14.062 7.018 305 2HG PRO 45 1HG PRO 45 -8.064 13.790 5.383 306 1HD PRO 45 2HD PRO 45 -8.928 11.789 7.324 307 2HD PRO 45 1HD PRO 45 -8.418 11.546 5.639 308 HA PRO 46 HA PRO 46 -2.710 11.587 9.373 309 1HB PRO 46 2HB PRO 46 -0.740 10.237 8.022 310 2HB PRO 46 1HB PRO 46 -2.218 9.466 8.623 311 1HG PRO 46 2HG PRO 46 -1.449 10.101 5.857 312 2HG PRO 46 1HG PRO 46 -2.644 8.946 6.458 313 1HD PRO 46 2HD PRO 46 -3.124 11.602 5.399 314 2HD PRO 46 1HD PRO 46 -4.321 10.425 5.981 315 H LYS 47 H LYS 47 -0.266 11.621 6.902 316 HA LYS 47 HA LYS 47 1.068 13.860 8.070 317 1HB LYS 47 2HB LYS 47 2.414 13.777 5.869 318 2HB LYS 47 1HB LYS 47 2.441 12.340 6.890 319 1HG LYS 47 2HG LYS 47 0.823 11.222 5.519 320 2HG LYS 47 1HG LYS 47 0.462 12.702 4.630 321 1HD LYS 47 2HD LYS 47 2.809 12.717 3.779 322 2HD LYS 47 1HD LYS 47 3.080 11.173 4.590 323 1HE LYS 47 2HE LYS 47 1.268 10.153 3.267 324 2HE LYS 47 1HE LYS 47 0.988 11.694 2.458 325 1HZ LYS 47 1HZ LYS 47 3.658 10.444 2.447 326 2HZ LYS 47 2HZ LYS 47 3.013 11.591 1.370 327 3HZ LYS 47 3HZ LYS 47 2.479 9.977 1.320 328 H LEU 48 H LEU 48 -1.722 13.871 6.252 329 HA LEU 48 HA LEU 48 -1.150 16.256 4.661 330 1HB LEU 48 2HB LEU 48 -3.773 14.911 5.384 331 2HB LEU 48 1HB LEU 48 -3.627 16.269 4.272 332 HG LEU 48 HG LEU 48 -2.185 13.622 3.895 333 1HD1 LEU 48 1HD1 LEU 48 -3.915 13.133 2.207 334 2HD1 LEU 48 2HD1 LEU 48 -4.730 14.645 2.601 335 3HD1 LEU 48 3HD1 LEU 48 -4.647 13.353 3.794 336 1HD2 LEU 48 1HD2 LEU 48 -2.495 16.146 2.259 337 2HD2 LEU 48 2HD2 LEU 48 -2.189 14.601 1.465 338 3HD2 LEU 48 3HD2 LEU 48 -1.029 15.238 2.621 339 H GLU 49 H GLU 49 -0.263 17.495 6.466 340 HA GLU 49 HA GLU 49 -2.375 19.074 7.792 341 1HB GLU 49 2HB GLU 49 -0.968 18.877 9.972 342 2HB GLU 49 1HB GLU 49 -2.034 17.539 9.543 343 1HG GLU 49 2HG GLU 49 -0.193 16.284 8.605 344 2HG GLU 49 1HG GLU 49 0.905 17.647 8.827 345 H ASP 50 H ASP 50 -0.620 19.687 5.658 346 HA ASP 50 HA ASP 50 0.529 22.148 6.604 347 1HB ASP 50 2HB ASP 50 2.242 20.453 7.409 348 2HB ASP 50 1HB ASP 50 2.551 20.074 5.712 349 H LYS 51 H LYS 51 -1.178 20.953 4.475 350 HA LYS 51 HA LYS 51 0.199 22.153 2.104 351 1HB LYS 51 2HB LYS 51 -1.324 19.552 2.293 352 2HB LYS 51 1HB LYS 51 -1.159 20.409 0.762 353 1HG LYS 51 2HG LYS 51 1.199 20.175 0.748 354 2HG LYS 51 1HG LYS 51 1.253 19.761 2.461 355 1HD LYS 51 2HD LYS 51 0.367 17.597 2.090 356 2HD LYS 51 1HD LYS 51 -0.216 18.017 0.480 357 1HE LYS 51 2HE LYS 51 2.048 18.144 -0.373 358 2HE LYS 51 1HE LYS 51 2.714 17.925 1.247 359 1HZ LYS 51 1HZ LYS 51 1.021 15.950 -0.187 360 2HZ LYS 51 2HZ LYS 51 1.737 15.739 1.341 361 3HZ LYS 51 3HZ LYS 51 2.709 15.864 -0.046 362 H SER 52 H SER 52 -3.034 21.025 3.263 363 HA SER 52 HA SER 52 -5.142 22.054 2.937 364 1HB SER 52 2HB SER 52 -3.408 23.790 4.201 365 2HB SER 52 1HB SER 52 -3.941 24.775 2.845 366 HG SER 52 HG SER 52 -5.246 24.109 5.092 367 HA PRO 53 HA PRO 53 -5.897 23.310 -1.265 368 1HB PRO 53 2HB PRO 53 -6.638 26.117 -0.506 369 2HB PRO 53 1HB PRO 53 -7.584 24.907 -1.401 370 1HG PRO 53 2HG PRO 53 -8.204 25.452 1.099 371 2HG PRO 53 1HG PRO 53 -8.184 23.767 0.538 372 1HD PRO 53 2HD PRO 53 -6.103 25.219 2.145 373 2HD PRO 53 1HD PRO 53 -6.777 23.588 2.383 374 H ASP 54 H ASP 54 -3.257 23.448 -0.758 375 HA ASP 54 HA ASP 54 -2.197 26.065 -1.633 376 1HB ASP 54 2HB ASP 54 -0.884 25.226 0.135 377 2HB ASP 54 1HB ASP 54 -0.988 23.561 -0.435 378 H SER 55 H SER 55 -3.449 23.382 -2.998 379 HA SER 55 HA SER 55 -3.671 23.142 -5.358 380 1HB SER 55 2HB SER 55 -1.986 25.042 -5.667 381 2HB SER 55 1HB SER 55 -0.762 23.786 -5.789 382 HG SER 55 HG SER 55 -1.902 24.533 -7.775 383 HA PRO 56 HA PRO 56 -0.558 19.488 -5.389 384 1HB PRO 56 2HB PRO 56 0.437 19.268 -2.612 385 2HB PRO 56 1HB PRO 56 1.331 19.160 -4.140 386 1HG PRO 56 2HG PRO 56 1.554 21.282 -2.499 387 2HG PRO 56 1HG PRO 56 1.673 21.410 -4.264 388 1HD PRO 56 2HD PRO 56 -0.640 22.126 -2.482 389 2HD PRO 56 1HD PRO 56 -0.010 22.943 -3.918 390 H GLU 57 H GLU 57 -2.842 20.437 -3.084 391 HA GLU 57 HA GLU 57 -3.385 17.873 -1.844 392 1HB GLU 57 2HB GLU 57 -4.107 20.076 -0.867 393 2HB GLU 57 1HB GLU 57 -5.277 20.235 -2.178 394 1HG GLU 57 2HG GLU 57 -6.553 18.384 -1.400 395 2HG GLU 57 1HG GLU 57 -5.231 17.794 -0.394 396 H MET 58 H MET 58 -3.041 17.300 -4.405 397 HA MET 58 HA MET 58 -5.338 15.847 -5.189 398 1HB MET 58 2HB MET 58 -5.362 18.639 -5.961 399 2HB MET 58 1HB MET 58 -5.238 17.660 -7.418 400 1HG MET 58 2HG MET 58 -7.231 16.400 -6.796 401 2HG MET 58 1HG MET 58 -7.324 17.240 -5.250 402 1HE MET 58 1HE MET 58 -7.685 19.862 -5.018 403 2HE MET 58 2HE MET 58 -9.078 18.783 -4.940 404 3HE MET 58 3HE MET 58 -9.201 20.306 -5.819 405 H LYS 59 H LYS 59 -2.557 17.681 -6.426 406 HA LYS 59 HA LYS 59 -1.943 15.871 -8.537 407 1HB LYS 59 2HB LYS 59 0.286 17.394 -7.232 408 2HB LYS 59 1HB LYS 59 -0.068 17.160 -8.935 409 1HG LYS 59 2HG LYS 59 -1.945 18.874 -7.306 410 2HG LYS 59 1HG LYS 59 -0.403 19.529 -7.805 411 1HD LYS 59 2HD LYS 59 -2.057 20.092 -9.478 412 2HD LYS 59 1HD LYS 59 -0.938 18.921 -10.156 413 1HE LYS 59 2HE LYS 59 -2.567 17.337 -10.409 414 2HE LYS 59 1HE LYS 59 -3.286 17.711 -8.846 415 1HZ LYS 59 1HZ LYS 59 -3.620 19.279 -11.339 416 2HZ LYS 59 2HZ LYS 59 -4.264 19.700 -9.823 417 3HZ LYS 59 3HZ LYS 59 -4.787 18.290 -10.608 418 H ASP 60 H ASP 60 -0.203 16.201 -5.367 419 HA ASP 60 HA ASP 60 1.215 13.736 -5.826 420 1HB ASP 60 2HB ASP 60 1.884 15.397 -4.038 421 2HB ASP 60 1HB ASP 60 0.498 14.827 -3.099 422 H PHE 61 H PHE 61 -2.013 14.412 -4.679 423 HA PHE 61 HA PHE 61 -2.395 11.782 -3.525 424 1HB PHE 61 2HB PHE 61 -3.934 13.319 -2.674 425 2HB PHE 61 1HB PHE 61 -4.169 14.103 -4.226 426 HD1 PHE 61 1HD PHE 61 -6.577 14.013 -4.301 427 HD2 PHE 61 2HD PHE 61 -4.300 10.433 -3.652 428 HE1 PHE 61 1HE PHE 61 -8.615 12.651 -4.662 429 HE2 PHE 61 2HE PHE 61 -6.334 9.067 -4.038 430 HZ PHE 61 HZ PHE 61 -8.493 10.179 -4.544 431 H ARG 62 H ARG 62 -3.497 13.353 -6.547 432 HA ARG 62 HA ARG 62 -4.473 10.970 -7.721 433 1HB ARG 62 2HB ARG 62 -3.378 13.467 -9.030 434 2HB ARG 62 1HB ARG 62 -4.168 12.165 -9.909 435 1HG ARG 62 2HG ARG 62 -5.916 12.821 -7.735 436 2HG ARG 62 1HG ARG 62 -5.395 14.356 -8.417 437 1HD ARG 62 2HD ARG 62 -5.995 13.312 -10.714 438 2HD ARG 62 1HD ARG 62 -6.871 12.104 -9.777 439 HE ARG 62 HE ARG 62 -7.536 14.840 -9.023 440 1HH1 ARG 62 1HH2 ARG 62 -8.092 12.219 -11.195 441 2HH1 ARG 62 2HH2 ARG 62 -9.718 12.693 -11.559 442 1HH2 ARG 62 1HH1 ARG 62 -9.656 15.471 -9.484 443 2HH2 ARG 62 2HH1 ARG 62 -10.599 14.541 -10.597 444 H HIS 63 H HIS 63 -1.359 12.616 -8.351 445 HA HIS 63 HA HIS 63 -0.304 10.445 -9.886 446 1HB HIS 63 2HB HIS 63 0.479 12.942 -9.662 447 2HB HIS 63 1HB HIS 63 1.457 12.332 -8.333 448 HD1 HIS 63 1HD HIS 63 3.767 12.296 -9.358 449 HD2 HIS 63 2HD HIS 63 0.942 10.478 -11.829 450 HE1 HIS 63 1HE HIS 63 5.052 11.255 -11.277 451 H GLY 64 H GLY 64 -0.591 10.918 -6.458 452 1HA GLY 64 2HA GLY 64 1.555 9.050 -5.776 453 2HA GLY 64 1HA GLY 64 0.416 9.763 -4.641 454 H PHE 65 H PHE 65 -2.025 8.866 -5.354 455 HA PHE 65 HA PHE 65 -1.933 6.114 -4.598 456 1HB PHE 65 2HB PHE 65 -4.225 6.229 -4.390 457 2HB PHE 65 1HB PHE 65 -3.886 7.952 -4.431 458 HD1 PHE 65 1HD PHE 65 -4.838 9.313 -6.123 459 HD2 PHE 65 2HD PHE 65 -4.802 5.054 -6.597 460 HE1 PHE 65 1HE PHE 65 -6.271 9.532 -8.131 461 HE2 PHE 65 2HE PHE 65 -6.238 5.269 -8.606 462 HZ PHE 65 HZ PHE 65 -6.973 7.510 -9.374 463 H ASP 66 H ASP 66 -1.983 7.634 -7.767 464 HA ASP 66 HA ASP 66 -2.772 5.242 -9.198 465 1HB ASP 66 2HB ASP 66 -2.977 7.420 -10.269 466 2HB ASP 66 1HB ASP 66 -1.235 7.677 -10.135 467 H ILE 67 H ILE 67 0.360 6.700 -8.390 468 HA ILE 67 HA ILE 67 1.970 4.786 -9.746 469 HB ILE 67 HB ILE 67 2.435 6.490 -7.289 470 1HG1 ILE 67 2HG1 ILE 67 3.589 6.669 -10.082 471 2HG1 ILE 67 1HG1 ILE 67 2.091 7.480 -9.610 472 1HG2 ILE 67 1HG2 ILE 67 4.051 4.851 -6.904 473 2HG2 ILE 67 2HG2 ILE 67 4.936 5.948 -7.958 474 3HG2 ILE 67 3HG2 ILE 67 4.232 4.471 -8.618 475 1HD1 ILE 67 1HD1 ILE 67 3.395 8.573 -7.731 476 2HD1 ILE 67 2HD1 ILE 67 3.903 9.065 -9.345 477 3HD1 ILE 67 3HD1 ILE 67 4.859 7.896 -8.437 478 H LEU 68 H LEU 68 0.906 4.842 -6.342 479 HA LEU 68 HA LEU 68 1.915 2.276 -5.631 480 1HB LEU 68 2HB LEU 68 -0.069 4.199 -4.526 481 2HB LEU 68 1HB LEU 68 -0.384 2.522 -4.089 482 HG LEU 68 HG LEU 68 2.036 2.360 -3.344 483 1HD1 LEU 68 1HD1 LEU 68 1.865 5.373 -3.659 484 2HD1 LEU 68 2HD1 LEU 68 2.880 4.298 -4.620 485 3HD1 LEU 68 3HD1 LEU 68 3.189 4.493 -2.895 486 1HD2 LEU 68 1HD2 LEU 68 0.137 2.697 -1.792 487 2HD2 LEU 68 2HD2 LEU 68 0.316 4.442 -1.973 488 3HD2 LEU 68 3HD2 LEU 68 1.599 3.493 -1.222 489 H VAL 69 H VAL 69 -1.409 3.176 -6.653 490 HA VAL 69 HA VAL 69 -2.377 0.501 -6.833 491 HB VAL 69 HB VAL 69 -3.214 3.105 -8.111 492 1HG1 VAL 69 1HG1 VAL 69 -5.374 1.719 -8.664 493 2HG1 VAL 69 2HG1 VAL 69 -4.273 0.340 -8.638 494 3HG1 VAL 69 3HG1 VAL 69 -4.002 1.666 -9.772 495 1HG2 VAL 69 1HG2 VAL 69 -5.214 2.698 -6.619 496 2HG2 VAL 69 2HG2 VAL 69 -3.697 2.917 -5.748 497 3HG2 VAL 69 3HG2 VAL 69 -4.366 1.299 -5.961 498 H GLY 70 H GLY 70 -0.941 2.586 -9.354 499 1HA GLY 70 2HA GLY 70 -1.253 0.757 -11.504 500 2HA GLY 70 1HA GLY 70 -0.009 2.003 -11.429 501 H GLN 71 H GLN 71 1.087 0.803 -8.885 502 HA GLN 71 HA GLN 71 2.828 -1.168 -10.221 503 1HB GLN 71 2HB GLN 71 2.884 0.061 -7.447 504 2HB GLN 71 1HB GLN 71 4.122 -1.020 -8.089 505 1HG GLN 71 2HG GLN 71 4.813 0.532 -9.711 506 2HG GLN 71 1HG GLN 71 3.332 1.469 -9.604 507 1HE2 GLN 71 1HE2 GLN 71 2.985 2.427 -7.190 508 2HE2 GLN 71 2HE2 GLN 71 4.392 3.066 -6.480 509 H ILE 72 H ILE 72 0.286 -1.091 -7.848 510 HA ILE 72 HA ILE 72 0.733 -3.667 -6.691 511 HB ILE 72 HB ILE 72 -1.725 -1.950 -7.079 512 1HG1 ILE 72 2HG1 ILE 72 -0.325 -2.761 -4.523 513 2HG1 ILE 72 1HG1 ILE 72 0.253 -1.401 -5.487 514 1HG2 ILE 72 1HG2 ILE 72 -2.716 -3.563 -5.309 515 2HG2 ILE 72 2HG2 ILE 72 -1.476 -4.694 -5.844 516 3HG2 ILE 72 3HG2 ILE 72 -2.684 -4.112 -6.983 517 1HD1 ILE 72 1HD1 ILE 72 -2.649 -1.300 -5.002 518 2HD1 ILE 72 2HD1 ILE 72 -1.415 -0.058 -4.786 519 3HD1 ILE 72 3HD1 ILE 72 -1.680 -1.261 -3.528 520 H ASP 73 H ASP 73 -1.078 -2.621 -9.567 521 HA ASP 73 HA ASP 73 -2.012 -5.262 -10.258 522 1HB ASP 73 2HB ASP 73 -2.986 -3.186 -11.220 523 2HB ASP 73 1HB ASP 73 -1.468 -2.880 -12.061 524 H ASP 74 H ASP 74 0.863 -3.328 -11.177 525 HA ASP 74 HA ASP 74 1.953 -5.289 -12.980 526 1HB ASP 74 2HB ASP 74 3.678 -3.396 -11.390 527 2HB ASP 74 1HB ASP 74 3.876 -3.952 -13.054 528 H ALA 75 H ALA 75 2.722 -4.646 -9.529 529 HA ALA 75 HA ALA 75 4.612 -6.820 -9.397 530 1HB ALA 75 1HB ALA 75 4.086 -6.475 -6.814 531 2HB ALA 75 2HB ALA 75 3.276 -5.022 -7.403 532 3HB ALA 75 3HB ALA 75 4.994 -5.262 -7.714 533 H LEU 76 H LEU 76 1.156 -6.587 -9.041 534 HA LEU 76 HA LEU 76 0.872 -9.114 -7.642 535 1HB LEU 76 2HB LEU 76 -0.849 -7.370 -7.496 536 2HB LEU 76 1HB LEU 76 -1.146 -7.478 -9.228 537 HG LEU 76 HG LEU 76 -1.420 -9.864 -7.382 538 1HD1 LEU 76 1HD1 LEU 76 -3.922 -9.317 -7.525 539 2HD1 LEU 76 2HD1 LEU 76 -3.425 -7.708 -8.047 540 3HD1 LEU 76 3HD1 LEU 76 -2.948 -8.302 -6.457 541 1HD2 LEU 76 1HD2 LEU 76 -1.968 -9.322 -10.262 542 2HD2 LEU 76 2HD2 LEU 76 -3.253 -10.183 -9.419 543 3HD2 LEU 76 3HD2 LEU 76 -1.622 -10.839 -9.441 544 H LYS 77 H LYS 77 0.255 -8.156 -11.073 545 HA LYS 77 HA LYS 77 -0.252 -10.825 -11.926 546 1HB LYS 77 2HB LYS 77 0.491 -10.105 -14.214 547 2HB LYS 77 1HB LYS 77 -0.747 -9.079 -13.511 548 1HG LYS 77 2HG LYS 77 0.679 -7.414 -14.245 549 2HG LYS 77 1HG LYS 77 1.416 -7.702 -12.685 550 1HD LYS 77 2HD LYS 77 3.114 -7.583 -14.449 551 2HD LYS 77 1HD LYS 77 3.095 -9.181 -13.728 552 1HE LYS 77 2HE LYS 77 3.053 -8.751 -16.421 553 2HE LYS 77 1HE LYS 77 2.374 -10.190 -15.660 554 1HZ LYS 77 1HZ LYS 77 0.228 -9.311 -15.765 555 2HZ LYS 77 2HZ LYS 77 0.908 -8.889 -17.263 556 3HZ LYS 77 3HZ LYS 77 0.774 -7.729 -16.029 557 H LEU 78 H LEU 78 2.728 -9.111 -11.240 558 HA LEU 78 HA LEU 78 4.481 -11.005 -12.458 559 1HB LEU 78 2HB LEU 78 4.826 -8.594 -11.190 560 2HB LEU 78 1HB LEU 78 5.401 -9.689 -9.946 561 HG LEU 78 HG LEU 78 7.255 -8.958 -11.380 562 1HD1 LEU 78 1HD1 LEU 78 8.213 -11.100 -11.795 563 2HD1 LEU 78 2HD1 LEU 78 6.633 -11.845 -12.042 564 3HD1 LEU 78 3HD1 LEU 78 7.121 -11.314 -10.429 565 1HD2 LEU 78 1HD2 LEU 78 6.345 -10.445 -13.790 566 2HD2 LEU 78 2HD2 LEU 78 7.193 -8.909 -13.662 567 3HD2 LEU 78 3HD2 LEU 78 5.445 -8.961 -13.459 568 H ALA 79 H ALA 79 3.223 -10.720 -9.136 569 HA ALA 79 HA ALA 79 4.452 -13.090 -8.172 570 1HB ALA 79 1HB ALA 79 1.837 -11.762 -7.415 571 2HB ALA 79 2HB ALA 79 3.390 -11.602 -6.594 572 3HB ALA 79 3HB ALA 79 2.515 -13.133 -6.535 573 H ASN 80 H ASN 80 1.204 -12.605 -9.593 574 HA ASN 80 HA ASN 80 0.443 -15.352 -9.642 575 1HB ASN 80 2HB ASN 80 -0.262 -13.137 -11.574 576 2HB ASN 80 1HB ASN 80 -1.091 -14.688 -11.458 577 1HD2 ASN 80 1HD2 ASN 80 -2.880 -12.952 -11.000 578 2HD2 ASN 80 2HD2 ASN 80 -3.158 -12.584 -9.368 579 H GLU 81 H GLU 81 1.390 -13.441 -12.473 580 HA GLU 81 HA GLU 81 2.133 -15.736 -14.040 581 1HB GLU 81 2HB GLU 81 1.326 -13.676 -15.064 582 2HB GLU 81 1HB GLU 81 2.696 -12.781 -14.429 583 1HG GLU 81 2HG GLU 81 3.359 -15.180 -16.079 584 2HG GLU 81 1HG GLU 81 2.643 -13.827 -16.942 585 H GLY 82 H GLY 82 3.730 -14.756 -11.396 586 1HA GLY 82 2HA GLY 82 6.360 -15.582 -12.528 587 2HA GLY 82 1HA GLY 82 6.293 -14.120 -11.578 588 H LYS 83 H LYS 83 7.926 -16.121 -10.751 589 HA LYS 83 HA LYS 83 6.593 -17.857 -8.830 590 1HB LYS 83 2HB LYS 83 9.118 -17.826 -10.025 591 2HB LYS 83 1HB LYS 83 9.488 -17.331 -8.382 592 1HG LYS 83 2HG LYS 83 7.799 -19.785 -8.973 593 2HG LYS 83 1HG LYS 83 9.552 -19.842 -8.919 594 1HD LYS 83 2HD LYS 83 9.382 -18.777 -6.590 595 2HD LYS 83 1HD LYS 83 7.660 -19.161 -6.669 596 1HE LYS 83 2HE LYS 83 9.994 -21.072 -6.729 597 2HE LYS 83 1HE LYS 83 8.654 -21.024 -5.582 598 1HZ LYS 83 1HZ LYS 83 8.450 -22.786 -7.285 599 2HZ LYS 83 2HZ LYS 83 8.352 -21.585 -8.482 600 3HZ LYS 83 3HZ LYS 83 7.147 -21.699 -7.289 601 H VAL 84 H VAL 84 8.105 -17.512 -6.499 602 HA VAL 84 HA VAL 84 6.983 -14.968 -5.510 603 HB VAL 84 HB VAL 84 8.224 -17.348 -4.116 604 1HG1 VAL 84 1HG1 VAL 84 7.306 -14.655 -3.107 605 2HG1 VAL 84 2HG1 VAL 84 8.746 -15.570 -2.667 606 3HG1 VAL 84 3HG1 VAL 84 7.166 -16.078 -2.073 607 1HG2 VAL 84 1HG2 VAL 84 5.951 -17.825 -3.446 608 2HG2 VAL 84 2HG2 VAL 84 5.921 -17.530 -5.182 609 3HG2 VAL 84 3HG2 VAL 84 5.387 -16.276 -4.065 610 H LYS 85 H LYS 85 10.074 -16.662 -5.845 611 HA LYS 85 HA LYS 85 11.709 -14.690 -4.598 612 1HB LYS 85 2HB LYS 85 12.205 -17.149 -5.544 613 2HB LYS 85 1HB LYS 85 12.750 -16.244 -6.953 614 1HG LYS 85 2HG LYS 85 13.713 -15.841 -4.108 615 2HG LYS 85 1HG LYS 85 14.613 -16.645 -5.394 616 1HD LYS 85 2HD LYS 85 14.313 -14.447 -6.723 617 2HD LYS 85 1HD LYS 85 13.862 -13.731 -5.176 618 1HE LYS 85 2HE LYS 85 16.491 -15.053 -5.886 619 2HE LYS 85 1HE LYS 85 16.220 -13.366 -5.450 620 1HZ LYS 85 1HZ LYS 85 17.093 -14.818 -3.632 621 2HZ LYS 85 2HZ LYS 85 15.593 -15.621 -3.637 622 3HZ LYS 85 3HZ LYS 85 15.678 -13.967 -3.254 623 H GLU 86 H GLU 86 10.789 -15.172 -8.023 624 HA GLU 86 HA GLU 86 12.175 -12.912 -9.070 625 1HB GLU 86 2HB GLU 86 9.541 -14.079 -10.037 626 2HB GLU 86 1HB GLU 86 10.631 -13.060 -10.976 627 1HG GLU 86 2HG GLU 86 11.588 -15.650 -9.752 628 2HG GLU 86 1HG GLU 86 10.778 -15.629 -11.317 629 H ALA 87 H ALA 87 8.858 -13.264 -7.824 630 HA ALA 87 HA ALA 87 8.122 -10.523 -8.255 631 1HB ALA 87 1HB ALA 87 6.202 -10.988 -6.999 632 2HB ALA 87 2HB ALA 87 7.052 -12.096 -5.920 633 3HB ALA 87 3HB ALA 87 6.659 -12.591 -7.565 634 H GLN 88 H GLN 88 10.028 -12.095 -5.794 635 HA GLN 88 HA GLN 88 9.928 -10.143 -3.736 636 1HB GLN 88 2HB GLN 88 11.148 -12.528 -4.045 637 2HB GLN 88 1HB GLN 88 12.534 -11.507 -4.369 638 1HG GLN 88 2HG GLN 88 11.052 -11.960 -1.822 639 2HG GLN 88 1HG GLN 88 12.768 -11.712 -2.103 640 1HE2 GLN 88 1HE2 GLN 88 12.859 -9.179 -3.283 641 2HE2 GLN 88 2HE2 GLN 88 12.176 -8.034 -2.234 642 H ALA 89 H ALA 89 12.294 -10.562 -6.362 643 HA ALA 89 HA ALA 89 13.807 -8.224 -5.957 644 1HB ALA 89 1HB ALA 89 13.100 -9.379 -8.665 645 2HB ALA 89 2HB ALA 89 14.314 -10.079 -7.594 646 3HB ALA 89 3HB ALA 89 14.541 -8.454 -8.239 647 H ALA 90 H ALA 90 10.671 -8.643 -7.563 648 HA ALA 90 HA ALA 90 10.519 -6.063 -8.768 649 1HB ALA 90 1HB ALA 90 8.237 -6.502 -9.059 650 2HB ALA 90 2HB ALA 90 8.098 -7.352 -7.518 651 3HB ALA 90 3HB ALA 90 8.886 -8.130 -8.889 652 H ALA 91 H ALA 91 9.685 -7.194 -5.501 653 HA ALA 91 HA ALA 91 8.716 -4.678 -4.533 654 1HB ALA 91 1HB ALA 91 8.193 -6.585 -3.222 655 2HB ALA 91 2HB ALA 91 9.379 -5.704 -2.260 656 3HB ALA 91 3HB ALA 91 9.870 -7.122 -3.186 657 H GLU 92 H GLU 92 11.942 -6.115 -4.696 658 HA GLU 92 HA GLU 92 13.316 -4.265 -3.063 659 1HB GLU 92 2HB GLU 92 14.282 -5.776 -5.502 660 2HB GLU 92 1HB GLU 92 15.330 -4.987 -4.321 661 1HG GLU 92 2HG GLU 92 14.123 -6.394 -2.544 662 2HG GLU 92 1HG GLU 92 13.471 -7.327 -3.880 663 H GLN 93 H GLN 93 12.779 -4.117 -6.631 664 HA GLN 93 HA GLN 93 14.147 -1.600 -6.892 665 1HB GLN 93 2HB GLN 93 12.767 -1.373 -9.021 666 2HB GLN 93 1HB GLN 93 13.751 -2.831 -8.910 667 1HG GLN 93 2HG GLN 93 11.846 -4.154 -8.266 668 2HG GLN 93 1HG GLN 93 10.853 -2.711 -8.095 669 1HE2 GLN 93 1HE2 GLN 93 11.908 -5.116 -10.334 670 2HE2 GLN 93 2HE2 GLN 93 11.253 -4.415 -11.734 671 H LEU 94 H LEU 94 10.854 -2.467 -5.995 672 HA LEU 94 HA LEU 94 9.896 0.287 -6.110 673 1HB LEU 94 2HB LEU 94 8.736 -2.185 -4.793 674 2HB LEU 94 1HB LEU 94 7.933 -0.614 -4.827 675 HG LEU 94 HG LEU 94 8.795 -2.096 -7.331 676 1HD1 LEU 94 1HD1 LEU 94 6.521 -2.870 -7.561 677 2HD1 LEU 94 2HD1 LEU 94 6.023 -1.977 -6.125 678 3HD1 LEU 94 3HD1 LEU 94 7.099 -3.366 -5.971 679 1HD2 LEU 94 1HD2 LEU 94 7.130 0.355 -6.758 680 2HD2 LEU 94 2HD2 LEU 94 6.913 -0.553 -8.253 681 3HD2 LEU 94 3HD2 LEU 94 8.470 0.178 -7.892 682 H LYS 95 H LYS 95 11.445 -1.750 -3.707 683 HA LYS 95 HA LYS 95 10.670 -0.135 -1.442 684 1HB LYS 95 2HB LYS 95 12.603 -2.336 -1.981 685 2HB LYS 95 1HB LYS 95 12.996 -1.314 -0.602 686 1HG LYS 95 2HG LYS 95 10.212 -2.436 -0.929 687 2HG LYS 95 1HG LYS 95 11.495 -3.412 -0.216 688 1HD LYS 95 2HD LYS 95 11.898 -1.666 1.480 689 2HD LYS 95 1HD LYS 95 10.631 -0.672 0.767 690 1HE LYS 95 2HE LYS 95 8.925 -2.240 1.365 691 2HE LYS 95 1HE LYS 95 10.110 -3.479 1.768 692 1HZ LYS 95 1HZ LYS 95 8.983 -1.678 3.495 693 2HZ LYS 95 2HZ LYS 95 10.552 -1.081 3.242 694 3HZ LYS 95 3HZ LYS 95 10.325 -2.668 3.808 695 H THR 96 H THR 96 13.586 -0.207 -3.491 696 HA THR 96 HA THR 96 14.840 1.978 -2.068 697 HB THR 96 HB THR 96 16.161 0.382 -3.414 698 HG1 THR 96 1HG THR 96 16.147 3.107 -4.115 699 1HG2 THR 96 1HG2 THR 96 14.498 0.017 -5.208 700 2HG2 THR 96 2HG2 THR 96 16.064 0.474 -5.870 701 3HG2 THR 96 3HG2 THR 96 14.768 1.662 -5.788 702 H THR 97 H THR 97 12.430 1.759 -4.565 703 HA THR 97 HA THR 97 12.777 4.614 -5.292 704 HB THR 97 HB THR 97 10.998 2.404 -6.355 705 HG1 THR 97 1HG THR 97 13.033 2.167 -7.105 706 1HG2 THR 97 1HG2 THR 97 10.593 4.168 -8.188 707 2HG2 THR 97 2HG2 THR 97 11.153 5.343 -6.998 708 3HG2 THR 97 3HG2 THR 97 9.725 4.365 -6.671 709 H GLY 98 H GLY 98 9.739 2.872 -5.062 710 1HA GLY 98 2HA GLY 98 7.735 3.492 -4.012 711 2HA GLY 98 1HA GLY 98 8.761 3.664 -2.588 712 H ARG 99 H ARG 99 9.628 5.715 -5.203 713 HA ARG 99 HA ARG 99 8.898 8.053 -3.626 714 1HB ARG 99 2HB ARG 99 10.367 7.638 -6.224 715 2HB ARG 99 1HB ARG 99 9.885 9.255 -5.715 716 1HG ARG 99 2HG ARG 99 11.383 7.460 -3.804 717 2HG ARG 99 1HG ARG 99 12.259 8.355 -5.042 718 1HD ARG 99 2HD ARG 99 11.216 10.465 -4.208 719 2HD ARG 99 1HD ARG 99 10.452 9.548 -2.913 720 HE ARG 99 HE ARG 99 13.248 9.011 -2.852 721 1HH1 ARG 99 1HH2 ARG 99 10.952 11.534 -2.397 722 2HH1 ARG 99 2HH2 ARG 99 11.879 12.344 -1.177 723 1HH2 ARG 99 1HH1 ARG 99 14.483 10.053 -1.269 724 2HH2 ARG 99 2HH1 ARG 99 13.885 11.508 -0.542 725 H ALA 100 H ALA 100 7.652 9.820 -4.508 726 HA ALA 100 HA ALA 100 5.890 9.334 -6.786 727 1HB ALA 100 1HB ALA 100 3.810 9.540 -5.386 728 2HB ALA 100 2HB ALA 100 4.820 9.339 -3.952 729 3HB ALA 100 3HB ALA 100 4.688 8.037 -5.136 730 H GLY 101 H GLY 101 7.820 11.348 -5.601 731 1HA GLY 101 2HA GLY 101 8.002 13.696 -5.816 732 2HA GLY 101 1HA GLY 101 6.316 13.739 -6.332 733 H ASN 102 H ASN 102 8.131 12.918 -3.339 734 HA ASN 102 HA ASN 102 5.879 13.850 -1.712 735 1HB ASN 102 2HB ASN 102 7.594 11.905 -1.239 736 2HB ASN 102 1HB ASN 102 8.590 13.198 -0.575 737 1HD2 ASN 102 1HD2 ASN 102 7.242 14.713 1.014 738 2HD2 ASN 102 2HD2 ASN 102 6.209 13.900 2.088 739 H GLN 103 H GLN 103 8.099 15.595 -3.363 740 HA GLN 103 HA GLN 103 8.487 17.612 -1.186 741 1HB GLN 103 2HB GLN 103 10.491 16.639 -2.530 742 2HB GLN 103 1HB GLN 103 9.897 17.639 -3.857 743 1HG GLN 103 2HG GLN 103 9.847 19.481 -1.847 744 2HG GLN 103 1HG GLN 103 11.165 18.464 -1.276 745 1HE2 GLN 103 1HE2 GLN 103 10.380 21.014 -3.438 746 2HE2 GLN 103 2HE2 GLN 103 11.827 21.010 -4.326 747 H LYS 104 H LYS 104 9.141 19.422 -3.624 748 HA LYS 104 HA LYS 104 8.059 21.086 -4.825 749 1HB LYS 104 2HB LYS 104 7.085 19.838 -6.461 750 2HB LYS 104 1HB LYS 104 6.604 18.593 -5.324 751 1HG LYS 104 2HG LYS 104 4.592 19.832 -4.720 752 2HG LYS 104 1HG LYS 104 5.119 21.213 -5.690 753 1HD LYS 104 2HD LYS 104 4.827 20.045 -7.735 754 2HD LYS 104 1HD LYS 104 4.758 18.479 -6.930 755 1HE LYS 104 2HE LYS 104 2.569 18.835 -6.144 756 2HE LYS 104 1HE LYS 104 2.676 20.585 -6.351 757 1HZ LYS 104 1HZ LYS 104 3.041 19.878 -8.837 758 2HZ LYS 104 2HZ LYS 104 1.481 20.033 -8.185 759 3HZ LYS 104 3HZ LYS 104 2.187 18.497 -8.344 760 H GLY 105 H GLY 105 5.935 19.492 -2.444 761 1HA GLY 105 2HA GLY 105 5.225 22.163 -1.399 762 2HA GLY 105 1HA GLY 105 3.890 21.193 -2.037 763 H GLY 106 H GLY 106 6.694 20.783 0.161 764 1HA GLY 106 2HA GLY 106 5.019 18.985 1.866 765 2HA GLY 106 1HA GLY 106 6.780 19.003 1.841 Start of MODEL 10 1 1H ALA 1 1HT ALA 1 2.473 12.252 20.710 2 2H ALA 1 2HT ALA 1 3.070 10.896 21.544 3 3H ALA 1 3HT ALA 1 1.807 11.823 22.208 4 HA ALA 1 HA ALA 1 0.539 10.180 21.370 5 1HB ALA 1 1HB ALA 1 0.055 12.316 20.107 6 2HB ALA 1 2HB ALA 1 -0.392 10.843 19.248 7 3HB ALA 1 3HB ALA 1 1.082 11.703 18.809 8 H ASP 2 H ASP 2 0.227 8.768 19.191 9 HA ASP 2 HA ASP 2 0.997 6.773 18.238 10 1HB ASP 2 2HB ASP 2 2.976 7.162 16.711 11 2HB ASP 2 1HB ASP 2 1.613 8.249 16.477 12 H LEU 3 H LEU 3 3.237 5.512 17.792 13 HA LEU 3 HA LEU 3 4.717 5.369 20.393 14 1HB LEU 3 2HB LEU 3 4.143 2.989 18.608 15 2HB LEU 3 1HB LEU 3 4.684 2.985 20.283 16 HG LEU 3 HG LEU 3 1.982 4.012 19.366 17 1HD1 LEU 3 1HD1 LEU 3 2.863 1.345 20.495 18 2HD1 LEU 3 2HD1 LEU 3 1.994 1.645 18.992 19 3HD1 LEU 3 3HD1 LEU 3 1.187 1.891 20.540 20 1HD2 LEU 3 1HD2 LEU 3 3.276 3.542 22.063 21 2HD2 LEU 3 2HD2 LEU 3 1.531 3.707 21.866 22 3HD2 LEU 3 3HD2 LEU 3 2.597 5.040 21.436 23 H GLU 4 H GLU 4 4.793 5.058 16.888 24 HA GLU 4 HA GLU 4 6.570 5.033 15.371 25 1HB GLU 4 2HB GLU 4 8.133 6.189 17.706 26 2HB GLU 4 1HB GLU 4 8.627 6.208 16.016 27 1HG GLU 4 2HG GLU 4 6.030 7.423 16.980 28 2HG GLU 4 1HG GLU 4 7.526 8.346 16.836 29 H ASP 5 H ASP 5 6.025 2.753 17.194 30 HA ASP 5 HA ASP 5 8.440 1.216 16.573 31 1HB ASP 5 2HB ASP 5 8.874 2.321 18.820 32 2HB ASP 5 1HB ASP 5 7.507 1.400 19.447 33 H ASN 6 H ASN 6 7.360 -0.648 18.839 34 HA ASN 6 HA ASN 6 5.990 -2.554 18.824 35 1HB ASN 6 2HB ASN 6 4.189 -0.274 18.045 36 2HB ASN 6 1HB ASN 6 3.555 -1.899 18.315 37 1HD2 ASN 6 1HD2 ASN 6 5.370 0.754 19.912 38 2HD2 ASN 6 2HD2 ASN 6 4.952 0.304 21.492 39 H ASP 7 H ASP 7 7.548 -2.498 16.512 40 HA ASP 7 HA ASP 7 5.699 -3.768 14.577 41 1HB ASP 7 2HB ASP 7 6.562 -2.446 12.694 42 2HB ASP 7 1HB ASP 7 5.833 -1.388 13.902 43 H GLU 8 H GLU 8 8.546 -3.052 12.989 44 HA GLU 8 HA GLU 8 9.488 -5.794 13.324 45 1HB GLU 8 2HB GLU 8 10.639 -3.476 11.742 46 2HB GLU 8 1HB GLU 8 11.174 -5.153 11.634 47 1HG GLU 8 2HG GLU 8 8.327 -4.270 11.106 48 2HG GLU 8 1HG GLU 8 9.535 -4.477 9.839 49 H THR 9 H THR 9 9.661 -3.672 15.533 50 HA THR 9 HA THR 9 12.574 -3.493 15.944 51 HB THR 9 HB THR 9 10.134 -2.437 17.390 52 HG1 THR 9 1HG THR 9 10.603 -0.745 16.276 53 1HG2 THR 9 1HG2 THR 9 12.046 -1.162 18.701 54 2HG2 THR 9 2HG2 THR 9 12.972 -2.615 18.334 55 3HG2 THR 9 3HG2 THR 9 11.471 -2.731 19.256 56 H GLY 10 H GLY 10 10.804 -5.986 15.968 57 1HA GLY 10 2HA GLY 10 10.756 -8.018 17.125 58 2HA GLY 10 1HA GLY 10 12.219 -7.464 17.946 59 H ASN 11 H ASN 11 8.814 -6.396 17.927 60 HA ASN 11 HA ASN 11 8.940 -5.938 20.831 61 1HB ASN 11 2HB ASN 11 7.829 -4.361 19.207 62 2HB ASN 11 1HB ASN 11 6.608 -5.596 18.932 63 1HD2 ASN 11 1HD2 ASN 11 8.041 -3.567 21.519 64 2HD2 ASN 11 2HD2 ASN 11 6.671 -3.601 22.523 65 H ASP 12 H ASP 12 5.895 -6.613 20.724 66 HA ASP 12 HA ASP 12 6.234 -9.485 21.436 67 1HB ASP 12 2HB ASP 12 5.258 -7.858 23.113 68 2HB ASP 12 1HB ASP 12 3.891 -7.656 22.021 69 H ASN 13 H ASN 13 5.593 -7.887 18.739 70 HA ASN 13 HA ASN 13 3.871 -10.012 17.693 71 1HB ASN 13 2HB ASN 13 2.985 -7.118 17.628 72 2HB ASN 13 1HB ASN 13 2.181 -8.469 16.831 73 1HD2 ASN 13 1HD2 ASN 13 1.351 -10.243 18.322 74 2HD2 ASN 13 2HD2 ASN 13 0.870 -9.820 19.892 75 H GLY 14 H GLY 14 6.085 -10.121 16.721 76 1HA GLY 14 2HA GLY 14 6.066 -8.716 14.115 77 2HA GLY 14 1HA GLY 14 7.493 -8.481 15.129 78 H LYS 15 H LYS 15 5.622 -11.479 14.914 79 HA LYS 15 HA LYS 15 8.053 -12.971 14.319 80 1HB LYS 15 2HB LYS 15 5.201 -14.001 14.183 81 2HB LYS 15 1HB LYS 15 6.667 -14.944 14.423 82 1HG LYS 15 2HG LYS 15 5.896 -12.797 16.402 83 2HG LYS 15 1HG LYS 15 5.166 -14.395 16.495 84 1HD LYS 15 2HD LYS 15 8.159 -14.186 16.286 85 2HD LYS 15 1HD LYS 15 7.393 -13.854 17.832 86 1HE LYS 15 2HE LYS 15 6.873 -16.381 16.244 87 2HE LYS 15 1HE LYS 15 8.107 -16.260 17.500 88 1HZ LYS 15 1HZ LYS 15 6.265 -15.453 18.991 89 2HZ LYS 15 2HZ LYS 15 6.193 -17.093 18.544 90 3HZ LYS 15 3HZ LYS 15 5.175 -15.958 17.792 91 H GLY 16 H GLY 16 6.961 -10.913 12.398 92 1HA GLY 16 2HA GLY 16 6.152 -12.507 10.055 93 2HA GLY 16 1HA GLY 16 6.362 -10.754 10.099 94 H GLY 17 H GLY 17 8.989 -11.981 11.615 95 1HA GLY 17 2HA GLY 17 10.701 -11.622 9.230 96 2HA GLY 17 1HA GLY 17 11.259 -11.763 10.900 97 H GLU 18 H GLU 18 8.924 -14.071 10.323 98 HA GLU 18 HA GLU 18 10.784 -16.106 9.254 99 1HB GLU 18 2HB GLU 18 10.841 -15.841 11.904 100 2HB GLU 18 1HB GLU 18 9.344 -16.768 11.818 101 1HG GLU 18 2HG GLU 18 10.499 -18.532 10.541 102 2HG GLU 18 1HG GLU 18 11.997 -17.602 10.606 103 H LYS 19 H LYS 19 7.920 -14.720 8.932 104 HA LYS 19 HA LYS 19 6.109 -16.994 8.985 105 1HB LYS 19 2HB LYS 19 5.187 -14.743 9.133 106 2HB LYS 19 1HB LYS 19 5.936 -14.294 7.602 107 1HG LYS 19 2HG LYS 19 3.505 -14.804 7.380 108 2HG LYS 19 1HG LYS 19 4.507 -15.862 6.387 109 1HD LYS 19 2HD LYS 19 4.109 -17.729 7.734 110 2HD LYS 19 1HD LYS 19 3.814 -16.763 9.175 111 1HE LYS 19 2HE LYS 19 1.859 -16.410 6.944 112 2HE LYS 19 1HE LYS 19 1.806 -17.947 7.809 113 1HZ LYS 19 1HZ LYS 19 0.681 -15.604 8.630 114 2HZ LYS 19 2HZ LYS 19 2.092 -15.709 9.568 115 3HZ LYS 19 3HZ LYS 19 0.952 -16.971 9.596 116 H ALA 20 H ALA 20 6.776 -15.088 6.064 117 HA ALA 20 HA ALA 20 7.186 -15.796 3.866 118 1HB ALA 20 1HB ALA 20 8.636 -18.114 5.161 119 2HB ALA 20 2HB ALA 20 9.321 -16.493 5.076 120 3HB ALA 20 3HB ALA 20 8.962 -17.376 3.593 121 H ASP 21 H ASP 21 4.711 -16.395 4.180 122 HA ASP 21 HA ASP 21 4.178 -19.281 4.175 123 1HB ASP 21 2HB ASP 21 2.549 -17.523 5.036 124 2HB ASP 21 1HB ASP 21 2.306 -17.038 3.358 125 H ASN 22 H ASN 22 5.524 -17.137 2.150 126 HA ASN 22 HA ASN 22 5.924 -17.022 -0.131 127 1HB ASN 22 2HB ASN 22 5.677 -19.912 0.548 128 2HB ASN 22 1HB ASN 22 5.595 -19.529 -1.165 129 1HD2 ASN 22 1HD2 ASN 22 7.489 -18.067 -1.983 130 2HD2 ASN 22 2HD2 ASN 22 9.005 -18.330 -1.270 131 H ALA 23 H ALA 23 4.376 -15.815 -1.101 132 HA ALA 23 HA ALA 23 2.710 -15.566 -2.789 133 1HB ALA 23 1HB ALA 23 1.298 -17.292 -3.482 134 2HB ALA 23 2HB ALA 23 1.293 -18.071 -1.904 135 3HB ALA 23 3HB ALA 23 2.721 -18.174 -2.934 136 H ALA 24 H ALA 24 1.557 -16.948 0.319 137 HA ALA 24 HA ALA 24 -0.878 -15.424 0.277 138 1HB ALA 24 1HB ALA 24 -1.323 -16.611 2.175 139 2HB ALA 24 2HB ALA 24 0.120 -16.004 2.986 140 3HB ALA 24 3HB ALA 24 0.229 -17.402 1.922 141 H GLN 25 H GLN 25 1.885 -14.916 2.510 142 HA GLN 25 HA GLN 25 1.168 -12.249 3.179 143 1HB GLN 25 2HB GLN 25 3.213 -12.144 4.318 144 2HB GLN 25 1HB GLN 25 2.928 -13.877 4.244 145 1HG GLN 25 2HG GLN 25 5.152 -13.744 3.524 146 2HG GLN 25 1HG GLN 25 4.288 -13.738 1.989 147 1HE2 GLN 25 1HE2 GLN 25 6.413 -12.581 1.292 148 2HE2 GLN 25 2HE2 GLN 25 6.472 -10.895 1.488 149 H VAL 26 H VAL 26 2.610 -13.509 0.315 150 HA VAL 26 HA VAL 26 4.042 -11.174 -0.510 151 HB VAL 26 HB VAL 26 2.775 -13.347 -2.184 152 1HG1 VAL 26 1HG1 VAL 26 3.257 -11.479 -3.601 153 2HG1 VAL 26 2HG1 VAL 26 4.596 -12.611 -3.801 154 3HG1 VAL 26 3HG1 VAL 26 4.793 -11.179 -2.789 155 1HG2 VAL 26 1HG2 VAL 26 5.613 -12.997 -1.177 156 2HG2 VAL 26 2HG2 VAL 26 5.003 -14.347 -2.135 157 3HG2 VAL 26 3HG2 VAL 26 4.437 -14.112 -0.483 158 H LYS 27 H LYS 27 0.855 -12.341 -1.729 159 HA LYS 27 HA LYS 27 0.307 -9.856 -3.059 160 1HB LYS 27 2HB LYS 27 -1.908 -10.715 -3.418 161 2HB LYS 27 1HB LYS 27 -0.808 -12.089 -3.526 162 1HG LYS 27 2HG LYS 27 -1.290 -12.482 -1.038 163 2HG LYS 27 1HG LYS 27 -2.609 -11.328 -1.219 164 1HD LYS 27 2HD LYS 27 -3.608 -12.705 -2.978 165 2HD LYS 27 1HD LYS 27 -2.264 -13.842 -2.876 166 1HE LYS 27 2HE LYS 27 -4.412 -14.462 -1.592 167 2HE LYS 27 1HE LYS 27 -2.891 -14.561 -0.707 168 1HZ LYS 27 1HZ LYS 27 -4.385 -12.033 -0.682 169 2HZ LYS 27 2HZ LYS 27 -3.359 -12.693 0.502 170 3HZ LYS 27 3HZ LYS 27 -4.930 -13.310 0.294 171 H ASP 28 H ASP 28 -0.466 -11.045 0.183 172 HA ASP 28 HA ASP 28 -2.307 -9.032 0.956 173 1HB ASP 28 2HB ASP 28 -0.200 -10.412 2.647 174 2HB ASP 28 1HB ASP 28 -1.613 -9.555 3.269 175 H ALA 29 H ALA 29 1.248 -9.016 0.991 176 HA ALA 29 HA ALA 29 1.535 -6.495 2.311 177 1HB ALA 29 1HB ALA 29 3.385 -8.142 2.033 178 2HB ALA 29 2HB ALA 29 3.832 -6.548 1.423 179 3HB ALA 29 3HB ALA 29 3.375 -7.827 0.299 180 H LEU 30 H LEU 30 1.486 -7.392 -1.122 181 HA LEU 30 HA LEU 30 1.743 -4.739 -2.082 182 1HB LEU 30 2HB LEU 30 0.269 -6.981 -3.457 183 2HB LEU 30 1HB LEU 30 1.058 -5.605 -4.215 184 HG LEU 30 HG LEU 30 2.507 -7.699 -2.574 185 1HD1 LEU 30 1HD1 LEU 30 2.148 -7.371 -5.560 186 2HD1 LEU 30 2HD1 LEU 30 1.716 -8.768 -4.577 187 3HD1 LEU 30 3HD1 LEU 30 3.413 -8.372 -4.847 188 1HD2 LEU 30 1HD2 LEU 30 3.782 -5.699 -2.524 189 2HD2 LEU 30 2HD2 LEU 30 3.373 -5.297 -4.192 190 3HD2 LEU 30 3HD2 LEU 30 4.483 -6.623 -3.849 191 H THR 31 H THR 31 -1.214 -6.702 -1.608 192 HA THR 31 HA THR 31 -3.047 -4.617 -2.297 193 HB THR 31 HB THR 31 -4.593 -6.009 -0.655 194 HG1 THR 31 1HG THR 31 -2.385 -6.992 0.021 195 1HG2 THR 31 1HG2 THR 31 -4.954 -7.667 -2.398 196 2HG2 THR 31 2HG2 THR 31 -3.374 -7.323 -3.096 197 3HG2 THR 31 3HG2 THR 31 -4.646 -6.101 -3.147 198 H LYS 32 H LYS 32 -1.382 -5.394 0.706 199 HA LYS 32 HA LYS 32 -2.900 -3.742 2.451 200 1HB LYS 32 2HB LYS 32 -1.251 -5.337 3.289 201 2HB LYS 32 1HB LYS 32 0.052 -4.428 2.527 202 1HG LYS 32 2HG LYS 32 -1.656 -2.771 4.302 203 2HG LYS 32 1HG LYS 32 -0.816 -4.064 5.150 204 1HD LYS 32 2HD LYS 32 1.326 -3.284 4.408 205 2HD LYS 32 1HD LYS 32 0.591 -2.159 3.264 206 1HE LYS 32 2HE LYS 32 -0.012 -0.651 4.932 207 2HE LYS 32 1HE LYS 32 -0.123 -1.899 6.175 208 1HZ LYS 32 1HZ LYS 32 1.820 -0.762 6.676 209 2HZ LYS 32 2HZ LYS 32 2.291 -0.627 5.051 210 3HZ LYS 32 3HZ LYS 32 2.373 -2.130 5.840 211 H MET 33 H MET 33 0.026 -2.976 0.527 212 HA MET 33 HA MET 33 0.199 -0.244 1.331 213 1HB MET 33 2HB MET 33 0.934 -1.446 -1.356 214 2HB MET 33 1HB MET 33 1.492 0.111 -0.736 215 1HG MET 33 2HG MET 33 2.337 -1.287 1.309 216 2HG MET 33 1HG MET 33 2.192 -2.662 0.217 217 1HE MET 33 1HE MET 33 6.005 -1.917 0.369 218 2HE MET 33 2HE MET 33 4.666 -2.904 0.947 219 3HE MET 33 3HE MET 33 4.951 -1.316 1.656 220 H ARG 34 H ARG 34 -1.789 -1.811 -1.170 221 HA ARG 34 HA ARG 34 -2.687 0.563 -2.461 222 1HB ARG 34 2HB ARG 34 -3.248 -1.526 -3.486 223 2HB ARG 34 1HB ARG 34 -4.037 -2.114 -2.028 224 1HG ARG 34 2HG ARG 34 -5.856 -0.588 -2.271 225 2HG ARG 34 1HG ARG 34 -5.007 0.335 -3.513 226 1HD ARG 34 2HD ARG 34 -5.043 -1.830 -4.911 227 2HD ARG 34 1HD ARG 34 -6.208 -2.434 -3.735 228 HE ARG 34 HE ARG 34 -6.913 0.178 -4.849 229 1HH1 ARG 34 1HH2 ARG 34 -7.050 -3.258 -5.116 230 2HH1 ARG 34 2HH2 ARG 34 -8.445 -3.257 -6.143 231 1HH2 ARG 34 1HH1 ARG 34 -8.733 0.197 -6.206 232 2HH2 ARG 34 2HH1 ARG 34 -9.393 -1.303 -6.764 233 H ALA 35 H ALA 35 -4.183 -1.249 0.231 234 HA ALA 35 HA ALA 35 -6.286 0.585 0.729 235 1HB ALA 35 1HB ALA 35 -6.051 -1.716 1.734 236 2HB ALA 35 2HB ALA 35 -6.486 -0.464 2.898 237 3HB ALA 35 3HB ALA 35 -4.825 -1.053 2.816 238 H ALA 36 H ALA 36 -2.892 0.637 1.699 239 HA ALA 36 HA ALA 36 -3.106 2.698 3.672 240 1HB ALA 36 1HB ALA 36 -0.733 3.091 3.299 241 2HB ALA 36 2HB ALA 36 -0.800 2.237 1.760 242 3HB ALA 36 3HB ALA 36 -1.030 1.353 3.266 243 H ALA 37 H ALA 37 -2.538 2.842 0.145 244 HA ALA 37 HA ALA 37 -2.385 5.678 -0.046 245 1HB ALA 37 1HB ALA 37 -1.738 4.233 -1.909 246 2HB ALA 37 2HB ALA 37 -3.033 5.307 -2.435 247 3HB ALA 37 3HB ALA 37 -3.388 3.624 -2.045 248 H LEU 38 H LEU 38 -5.187 3.470 -0.349 249 HA LEU 38 HA LEU 38 -7.111 5.568 -0.808 250 1HB LEU 38 2HB LEU 38 -7.601 2.844 0.415 251 2HB LEU 38 1HB LEU 38 -8.786 3.869 -0.387 252 HG LEU 38 HG LEU 38 -6.319 2.711 -1.723 253 1HD1 LEU 38 1HD1 LEU 38 -7.804 1.132 -2.791 254 2HD1 LEU 38 2HD1 LEU 38 -9.219 1.900 -2.068 255 3HD1 LEU 38 3HD1 LEU 38 -8.075 1.028 -1.051 256 1HD2 LEU 38 1HD2 LEU 38 -8.630 4.422 -2.659 257 2HD2 LEU 38 2HD2 LEU 38 -7.748 3.397 -3.792 258 3HD2 LEU 38 3HD2 LEU 38 -6.902 4.670 -2.915 259 H ASP 39 H ASP 39 -5.952 3.973 2.138 260 HA ASP 39 HA ASP 39 -7.852 5.091 3.944 261 1HB ASP 39 2HB ASP 39 -6.043 3.293 4.381 262 2HB ASP 39 1HB ASP 39 -4.943 4.648 4.635 263 H ALA 40 H ALA 40 -4.544 6.268 3.255 264 HA ALA 40 HA ALA 40 -4.896 8.727 4.670 265 1HB ALA 40 1HB ALA 40 -3.108 8.259 2.271 266 2HB ALA 40 2HB ALA 40 -2.697 7.742 3.906 267 3HB ALA 40 3HB ALA 40 -2.885 9.459 3.542 268 H GLN 41 H GLN 41 -6.120 7.658 1.644 269 HA GLN 41 HA GLN 41 -6.315 10.232 0.354 270 1HB GLN 41 2HB GLN 41 -6.370 8.022 -0.830 271 2HB GLN 41 1HB GLN 41 -7.999 7.775 -0.203 272 1HG GLN 41 2HG GLN 41 -8.682 9.935 -1.265 273 2HG GLN 41 1HG GLN 41 -7.084 10.041 -1.984 274 1HE2 GLN 41 1HE2 GLN 41 -6.999 7.011 -2.464 275 2HE2 GLN 41 2HE2 GLN 41 -8.041 6.765 -3.773 276 H LYS 42 H LYS 42 -7.283 11.562 1.957 277 HA LYS 42 HA LYS 42 -9.081 12.509 3.174 278 1HB LYS 42 2HB LYS 42 -10.676 11.675 0.740 279 2HB LYS 42 1HB LYS 42 -10.905 13.099 1.746 280 1HG LYS 42 2HG LYS 42 -8.324 12.699 0.218 281 2HG LYS 42 1HG LYS 42 -9.726 13.393 -0.579 282 1HD LYS 42 2HD LYS 42 -8.830 14.527 2.072 283 2HD LYS 42 1HD LYS 42 -7.965 14.965 0.605 284 1HE LYS 42 2HE LYS 42 -9.934 15.902 -0.391 285 2HE LYS 42 1HE LYS 42 -10.972 15.223 0.865 286 1HZ LYS 42 1HZ LYS 42 -10.162 16.703 2.444 287 2HZ LYS 42 2HZ LYS 42 -10.319 17.663 1.050 288 3HZ LYS 42 3HZ LYS 42 -8.791 17.098 1.528 289 H ALA 43 H ALA 43 -8.692 9.917 4.036 290 HA ALA 43 HA ALA 43 -11.500 9.060 4.629 291 1HB ALA 43 1HB ALA 43 -9.429 6.908 4.429 292 2HB ALA 43 2HB ALA 43 -10.018 7.589 2.916 293 3HB ALA 43 3HB ALA 43 -11.148 6.848 4.046 294 H THR 44 H THR 44 -8.079 8.900 5.555 295 HA THR 44 HA THR 44 -8.877 9.060 8.409 296 HB THR 44 HB THR 44 -6.626 7.293 7.425 297 HG1 THR 44 1HG THR 44 -8.339 5.645 8.076 298 1HG2 THR 44 1HG2 THR 44 -6.605 6.441 9.628 299 2HG2 THR 44 2HG2 THR 44 -8.206 7.090 9.982 300 3HG2 THR 44 3HG2 THR 44 -6.824 8.177 9.843 301 HA PRO 45 HA PRO 45 -5.951 12.293 6.253 302 1HB PRO 45 2HB PRO 45 -7.388 13.554 8.582 303 2HB PRO 45 1HB PRO 45 -6.885 14.286 7.041 304 1HG PRO 45 2HG PRO 45 -9.416 13.392 7.518 305 2HG PRO 45 1HG PRO 45 -8.683 13.443 5.903 306 1HD PRO 45 2HD PRO 45 -9.421 11.090 7.457 307 2HD PRO 45 1HD PRO 45 -8.794 11.158 5.797 308 HA PRO 46 HA PRO 46 -3.334 11.284 9.919 309 1HB PRO 46 2HB PRO 46 -1.144 10.372 8.441 310 2HB PRO 46 1HB PRO 46 -2.445 9.346 9.069 311 1HG PRO 46 2HG PRO 46 -1.868 10.028 6.318 312 2HG PRO 46 1HG PRO 46 -3.077 8.898 6.946 313 1HD PRO 46 2HD PRO 46 -3.459 11.654 5.979 314 2HD PRO 46 1HD PRO 46 -4.675 10.401 6.291 315 H LYS 47 H LYS 47 -1.459 12.251 7.021 316 HA LYS 47 HA LYS 47 -0.189 14.415 8.591 317 1HB LYS 47 2HB LYS 47 0.257 13.796 5.657 318 2HB LYS 47 1HB LYS 47 1.322 14.673 6.752 319 1HG LYS 47 2HG LYS 47 1.834 12.671 7.991 320 2HG LYS 47 1HG LYS 47 0.594 11.758 7.133 321 1HD LYS 47 2HD LYS 47 1.809 11.910 5.056 322 2HD LYS 47 1HD LYS 47 2.962 13.043 5.755 323 1HE LYS 47 2HE LYS 47 3.815 10.681 5.608 324 2HE LYS 47 1HE LYS 47 3.828 11.341 7.244 325 1HZ LYS 47 1HZ LYS 47 2.035 10.073 7.867 326 2HZ LYS 47 2HZ LYS 47 2.838 9.007 6.816 327 3HZ LYS 47 3HZ LYS 47 1.471 9.865 6.281 328 H LEU 48 H LEU 48 -2.827 13.950 6.503 329 HA LEU 48 HA LEU 48 -2.904 16.677 5.440 330 1HB LEU 48 2HB LEU 48 -5.154 14.641 5.464 331 2HB LEU 48 1HB LEU 48 -4.982 16.025 4.392 332 HG LEU 48 HG LEU 48 -3.175 13.583 4.446 333 1HD1 LEU 48 1HD1 LEU 48 -5.249 14.559 2.461 334 2HD1 LEU 48 2HD1 LEU 48 -5.313 13.078 3.418 335 3HD1 LEU 48 3HD1 LEU 48 -4.110 13.249 2.142 336 1HD2 LEU 48 1HD2 LEU 48 -1.772 15.371 3.807 337 2HD2 LEU 48 2HD2 LEU 48 -3.065 16.199 2.940 338 3HD2 LEU 48 3HD2 LEU 48 -2.345 14.736 2.265 339 H GLU 49 H GLU 49 -3.044 18.093 7.152 340 HA GLU 49 HA GLU 49 -5.597 18.077 8.669 341 1HB GLU 49 2HB GLU 49 -3.408 16.992 9.841 342 2HB GLU 49 1HB GLU 49 -3.131 18.676 10.255 343 1HG GLU 49 2HG GLU 49 -5.679 17.125 10.826 344 2HG GLU 49 1HG GLU 49 -4.429 17.491 12.011 345 H ASP 50 H ASP 50 -3.543 19.702 6.742 346 HA ASP 50 HA ASP 50 -4.718 22.282 7.258 347 1HB ASP 50 2HB ASP 50 -2.999 22.037 9.145 348 2HB ASP 50 1HB ASP 50 -1.763 22.116 7.888 349 H LYS 51 H LYS 51 -3.513 20.136 5.231 350 HA LYS 51 HA LYS 51 -2.074 22.007 3.434 351 1HB LYS 51 2HB LYS 51 -2.548 19.018 3.262 352 2HB LYS 51 1HB LYS 51 -1.606 19.965 2.109 353 1HG LYS 51 2HG LYS 51 -0.068 20.641 3.918 354 2HG LYS 51 1HG LYS 51 -1.006 19.684 5.070 355 1HD LYS 51 2HD LYS 51 -0.545 17.648 3.724 356 2HD LYS 51 1HD LYS 51 0.444 18.616 2.629 357 1HE LYS 51 2HE LYS 51 1.969 17.612 4.172 358 2HE LYS 51 1HE LYS 51 1.810 19.297 4.675 359 1HZ LYS 51 1HZ LYS 51 1.101 16.916 6.076 360 2HZ LYS 51 2HZ LYS 51 -0.212 17.988 5.971 361 3HZ LYS 51 3HZ LYS 51 1.255 18.501 6.657 362 H SER 52 H SER 52 -4.556 19.446 2.927 363 HA SER 52 HA SER 52 -6.381 19.450 1.422 364 1HB SER 52 2HB SER 52 -6.612 21.605 3.121 365 2HB SER 52 1HB SER 52 -6.689 22.403 1.557 366 HG SER 52 HG SER 52 -8.190 20.072 2.076 367 HA PRO 53 HA PRO 53 -5.150 20.733 -2.637 368 1HB PRO 53 2HB PRO 53 -7.348 22.737 -2.957 369 2HB PRO 53 1HB PRO 53 -6.966 21.314 -3.950 370 1HG PRO 53 2HG PRO 53 -9.051 21.281 -2.318 371 2HG PRO 53 1HG PRO 53 -8.008 19.852 -2.474 372 1HD PRO 53 2HD PRO 53 -8.053 21.891 -0.267 373 2HD PRO 53 1HD PRO 53 -7.929 20.119 -0.167 374 H ASP 54 H ASP 54 -4.087 22.308 -0.404 375 HA ASP 54 HA ASP 54 -3.844 25.071 -1.377 376 1HB ASP 54 2HB ASP 54 -3.952 24.570 1.066 377 2HB ASP 54 1HB ASP 54 -2.451 23.651 0.928 378 H SER 55 H SER 55 -1.232 22.961 -0.221 379 HA SER 55 HA SER 55 0.588 24.003 -2.207 380 1HB SER 55 2HB SER 55 0.876 22.759 0.220 381 2HB SER 55 1HB SER 55 1.310 21.449 -0.867 382 HG SER 55 HG SER 55 2.807 23.447 -0.117 383 HA PRO 56 HA PRO 56 0.356 21.054 -5.570 384 1HB PRO 56 2HB PRO 56 2.680 19.407 -4.628 385 2HB PRO 56 1HB PRO 56 2.396 20.150 -6.215 386 1HG PRO 56 2HG PRO 56 4.142 21.215 -4.549 387 2HG PRO 56 1HG PRO 56 3.051 22.255 -5.484 388 1HD PRO 56 2HD PRO 56 2.880 21.477 -2.584 389 2HD PRO 56 1HD PRO 56 2.557 23.050 -3.352 390 H GLU 57 H GLU 57 -0.185 20.073 -2.476 391 HA GLU 57 HA GLU 57 -0.239 17.359 -2.215 392 1HB GLU 57 2HB GLU 57 -1.212 18.588 -0.444 393 2HB GLU 57 1HB GLU 57 -2.378 19.372 -1.513 394 1HG GLU 57 2HG GLU 57 -3.675 17.394 -1.728 395 2HG GLU 57 1HG GLU 57 -2.386 16.379 -1.084 396 H MET 58 H MET 58 -2.752 19.157 -4.023 397 HA MET 58 HA MET 58 -4.281 16.929 -4.842 398 1HB MET 58 2HB MET 58 -4.737 19.456 -5.170 399 2HB MET 58 1HB MET 58 -3.763 19.311 -6.634 400 1HG MET 58 2HG MET 58 -5.258 17.555 -7.476 401 2HG MET 58 1HG MET 58 -6.215 17.644 -6.001 402 1HE MET 58 1HE MET 58 -5.797 20.612 -9.406 403 2HE MET 58 2HE MET 58 -4.672 19.374 -8.851 404 3HE MET 58 3HE MET 58 -4.723 20.940 -8.043 405 H LYS 59 H LYS 59 -1.476 18.434 -6.466 406 HA LYS 59 HA LYS 59 -1.514 16.676 -8.708 407 1HB LYS 59 2HB LYS 59 0.850 18.156 -7.507 408 2HB LYS 59 1HB LYS 59 0.762 17.503 -9.143 409 1HG LYS 59 2HG LYS 59 -1.313 19.468 -8.162 410 2HG LYS 59 1HG LYS 59 0.234 20.036 -8.778 411 1HD LYS 59 2HD LYS 59 -1.117 18.014 -10.502 412 2HD LYS 59 1HD LYS 59 -1.965 19.543 -10.361 413 1HE LYS 59 2HE LYS 59 0.174 20.714 -10.999 414 2HE LYS 59 1HE LYS 59 0.888 19.128 -11.292 415 1HZ LYS 59 1HZ LYS 59 -1.605 19.265 -12.573 416 2HZ LYS 59 2HZ LYS 59 -0.065 19.076 -13.266 417 3HZ LYS 59 3HZ LYS 59 -0.701 20.631 -13.013 418 H ASP 60 H ASP 60 0.684 16.564 -5.847 419 HA ASP 60 HA ASP 60 1.784 14.033 -6.591 420 1HB ASP 60 2HB ASP 60 2.359 13.861 -4.108 421 2HB ASP 60 1HB ASP 60 2.981 15.277 -4.954 422 H PHE 61 H PHE 61 -1.237 14.890 -5.074 423 HA PHE 61 HA PHE 61 -1.740 12.303 -3.902 424 1HB PHE 61 2HB PHE 61 -3.075 14.001 -2.994 425 2HB PHE 61 1HB PHE 61 -3.407 14.728 -4.558 426 HD1 PHE 61 1HD PHE 61 -5.799 14.818 -4.326 427 HD2 PHE 61 2HD PHE 61 -3.710 11.093 -3.858 428 HE1 PHE 61 1HE PHE 61 -7.956 13.597 -4.395 429 HE2 PHE 61 2HE PHE 61 -5.857 9.875 -3.954 430 HZ PHE 61 HZ PHE 61 -7.981 11.124 -4.216 431 H ARG 62 H ARG 62 -2.922 13.915 -6.859 432 HA ARG 62 HA ARG 62 -4.139 11.568 -7.883 433 1HB ARG 62 2HB ARG 62 -3.116 14.041 -9.275 434 2HB ARG 62 1HB ARG 62 -4.018 12.766 -10.095 435 1HG ARG 62 2HG ARG 62 -5.737 13.185 -8.057 436 2HG ARG 62 1HG ARG 62 -4.976 14.774 -8.072 437 1HD ARG 62 2HD ARG 62 -5.422 14.538 -10.705 438 2HD ARG 62 1HD ARG 62 -6.711 13.483 -10.137 439 HE ARG 62 HE ARG 62 -6.677 16.000 -8.694 440 1HH1 ARG 62 1HH2 ARG 62 -7.622 14.330 -11.563 441 2HH1 ARG 62 2HH2 ARG 62 -8.876 15.456 -11.972 442 1HH2 ARG 62 1HH1 ARG 62 -8.320 17.492 -9.220 443 2HH2 ARG 62 2HH1 ARG 62 -9.268 17.239 -10.650 444 H HIS 63 H HIS 63 -1.047 13.102 -8.837 445 HA HIS 63 HA HIS 63 -0.206 10.904 -10.461 446 1HB HIS 63 2HB HIS 63 0.707 13.330 -10.355 447 2HB HIS 63 1HB HIS 63 1.717 12.743 -9.036 448 HD1 HIS 63 1HD HIS 63 3.987 12.360 -10.012 449 HD2 HIS 63 2HD HIS 63 0.976 10.969 -12.539 450 HE1 HIS 63 1HE HIS 63 5.148 11.228 -11.957 451 H GLY 64 H GLY 64 0.465 11.633 -7.020 452 1HA GLY 64 2HA GLY 64 2.337 9.478 -6.671 453 2HA GLY 64 1HA GLY 64 1.515 10.318 -5.365 454 H PHE 65 H PHE 65 -1.128 9.633 -5.677 455 HA PHE 65 HA PHE 65 -1.114 6.906 -4.791 456 1HB PHE 65 2HB PHE 65 -3.185 7.425 -4.013 457 2HB PHE 65 1HB PHE 65 -2.969 9.028 -4.691 458 HD1 PHE 65 1HD PHE 65 -4.509 9.793 -6.288 459 HD2 PHE 65 2HD PHE 65 -4.052 5.565 -5.672 460 HE1 PHE 65 1HE PHE 65 -6.402 9.365 -7.823 461 HE2 PHE 65 2HE PHE 65 -5.939 5.137 -7.224 462 HZ PHE 65 HZ PHE 65 -7.115 7.036 -8.295 463 H ASP 66 H ASP 66 -1.346 8.321 -7.941 464 HA ASP 66 HA ASP 66 -2.560 6.027 -9.242 465 1HB ASP 66 2HB ASP 66 -2.534 8.289 -10.276 466 2HB ASP 66 1HB ASP 66 -0.777 8.192 -10.395 467 H ILE 67 H ILE 67 0.762 7.189 -8.845 468 HA ILE 67 HA ILE 67 2.029 5.040 -10.215 469 HB ILE 67 HB ILE 67 3.015 6.809 -7.956 470 1HG1 ILE 67 2HG1 ILE 67 3.649 6.869 -10.912 471 2HG1 ILE 67 1HG1 ILE 67 2.330 7.804 -10.207 472 1HG2 ILE 67 1HG2 ILE 67 4.391 4.791 -8.009 473 2HG2 ILE 67 2HG2 ILE 67 5.289 6.108 -8.760 474 3HG2 ILE 67 3HG2 ILE 67 4.513 4.888 -9.766 475 1HD1 ILE 67 1HD1 ILE 67 4.375 9.174 -10.354 476 2HD1 ILE 67 2HD1 ILE 67 5.259 7.971 -9.414 477 3HD1 ILE 67 3HD1 ILE 67 3.951 8.889 -8.666 478 H LEU 68 H LEU 68 1.498 5.464 -6.684 479 HA LEU 68 HA LEU 68 2.500 2.972 -5.862 480 1HB LEU 68 2HB LEU 68 0.288 4.755 -4.828 481 2HB LEU 68 1HB LEU 68 0.591 3.206 -4.040 482 HG LEU 68 HG LEU 68 2.756 5.287 -4.504 483 1HD1 LEU 68 1HD1 LEU 68 0.974 6.241 -3.102 484 2HD1 LEU 68 2HD1 LEU 68 2.405 5.904 -2.124 485 3HD1 LEU 68 3HD1 LEU 68 1.018 4.815 -2.058 486 1HD2 LEU 68 1HD2 LEU 68 3.670 3.958 -2.420 487 2HD2 LEU 68 2HD2 LEU 68 3.840 3.246 -4.020 488 3HD2 LEU 68 3HD2 LEU 68 2.552 2.701 -2.946 489 H VAL 69 H VAL 69 -0.919 3.736 -6.657 490 HA VAL 69 HA VAL 69 -1.796 1.022 -6.575 491 HB VAL 69 HB VAL 69 -2.811 3.581 -7.767 492 1HG1 VAL 69 1HG1 VAL 69 -3.685 0.848 -8.670 493 2HG1 VAL 69 2HG1 VAL 69 -3.427 2.309 -9.624 494 3HG1 VAL 69 3HG1 VAL 69 -4.852 2.170 -8.596 495 1HG2 VAL 69 1HG2 VAL 69 -3.218 2.547 -5.372 496 2HG2 VAL 69 2HG2 VAL 69 -4.427 1.573 -6.205 497 3HG2 VAL 69 3HG2 VAL 69 -4.549 3.334 -6.220 498 H GLY 70 H GLY 70 -0.233 2.925 -9.103 499 1HA GLY 70 2HA GLY 70 -0.664 1.132 -11.280 500 2HA GLY 70 1HA GLY 70 0.648 2.300 -11.182 501 H GLN 71 H GLN 71 2.104 1.340 -9.009 502 HA GLN 71 HA GLN 71 3.365 -1.004 -10.241 503 1HB GLN 71 2HB GLN 71 4.742 -0.570 -7.853 504 2HB GLN 71 1HB GLN 71 5.148 0.169 -9.401 505 1HG GLN 71 2HG GLN 71 3.984 2.146 -8.898 506 2HG GLN 71 1HG GLN 71 3.103 1.399 -7.560 507 1HE2 GLN 71 1HE2 GLN 71 4.092 3.527 -6.557 508 2HE2 GLN 71 2HE2 GLN 71 5.608 3.327 -5.802 509 H ILE 72 H ILE 72 1.146 -0.463 -7.617 510 HA ILE 72 HA ILE 72 1.773 -2.872 -6.168 511 HB ILE 72 HB ILE 72 -0.738 -1.186 -6.345 512 1HG1 ILE 72 2HG1 ILE 72 1.112 -1.630 -3.989 513 2HG1 ILE 72 1HG1 ILE 72 1.466 -0.404 -5.204 514 1HG2 ILE 72 1HG2 ILE 72 -0.184 -3.740 -4.831 515 2HG2 ILE 72 2HG2 ILE 72 -1.618 -3.302 -5.752 516 3HG2 ILE 72 3HG2 ILE 72 -1.308 -2.546 -4.191 517 1HD1 ILE 72 1HD1 ILE 72 -0.080 0.017 -2.973 518 2HD1 ILE 72 2HD1 ILE 72 -1.318 -0.333 -4.178 519 3HD1 ILE 72 3HD1 ILE 72 -0.177 0.982 -4.439 520 H ASP 73 H ASP 73 -0.379 -2.115 -8.876 521 HA ASP 73 HA ASP 73 -1.490 -4.790 -9.038 522 1HB ASP 73 2HB ASP 73 -2.450 -2.596 -10.029 523 2HB ASP 73 1HB ASP 73 -1.306 -2.847 -11.347 524 H ASP 74 H ASP 74 1.233 -3.090 -10.581 525 HA ASP 74 HA ASP 74 1.927 -5.143 -12.449 526 1HB ASP 74 2HB ASP 74 3.784 -3.231 -11.010 527 2HB ASP 74 1HB ASP 74 4.148 -4.113 -12.492 528 H ALA 75 H ALA 75 2.842 -4.612 -9.066 529 HA ALA 75 HA ALA 75 4.702 -6.816 -9.037 530 1HB ALA 75 1HB ALA 75 3.340 -5.417 -6.723 531 2HB ALA 75 2HB ALA 75 4.859 -4.910 -7.461 532 3HB ALA 75 3HB ALA 75 4.762 -6.455 -6.614 533 H LEU 76 H LEU 76 1.274 -6.436 -8.325 534 HA LEU 76 HA LEU 76 1.011 -8.969 -6.983 535 1HB LEU 76 2HB LEU 76 -0.606 -7.000 -6.850 536 2HB LEU 76 1HB LEU 76 -1.195 -7.480 -8.435 537 HG LEU 76 HG LEU 76 -1.071 -9.659 -6.366 538 1HD1 LEU 76 1HD1 LEU 76 -1.973 -7.695 -5.102 539 2HD1 LEU 76 2HD1 LEU 76 -3.128 -9.014 -5.286 540 3HD1 LEU 76 3HD1 LEU 76 -3.265 -7.575 -6.298 541 1HD2 LEU 76 1HD2 LEU 76 -3.255 -10.236 -7.424 542 2HD2 LEU 76 2HD2 LEU 76 -1.945 -10.136 -8.596 543 3HD2 LEU 76 3HD2 LEU 76 -3.103 -8.819 -8.459 544 H LYS 77 H LYS 77 0.167 -7.975 -10.345 545 HA LYS 77 HA LYS 77 -0.699 -10.554 -11.172 546 1HB LYS 77 2HB LYS 77 -0.023 -9.889 -13.486 547 2HB LYS 77 1HB LYS 77 -0.980 -8.652 -12.694 548 1HG LYS 77 2HG LYS 77 0.701 -7.252 -13.399 549 2HG LYS 77 1HG LYS 77 1.511 -7.831 -11.955 550 1HD LYS 77 2HD LYS 77 3.167 -8.246 -13.522 551 2HD LYS 77 1HD LYS 77 2.319 -9.782 -13.586 552 1HE LYS 77 2HE LYS 77 2.168 -7.482 -15.520 553 2HE LYS 77 1HE LYS 77 2.551 -9.170 -15.828 554 1HZ LYS 77 1HZ LYS 77 0.292 -9.778 -15.326 555 2HZ LYS 77 2HZ LYS 77 0.306 -8.597 -16.546 556 3HZ LYS 77 3HZ LYS 77 -0.099 -8.170 -14.951 557 H LEU 78 H LEU 78 2.524 -9.145 -10.927 558 HA LEU 78 HA LEU 78 3.934 -11.280 -12.128 559 1HB LEU 78 2HB LEU 78 4.725 -8.887 -11.278 560 2HB LEU 78 1HB LEU 78 5.114 -9.767 -9.809 561 HG LEU 78 HG LEU 78 7.115 -9.797 -11.034 562 1HD1 LEU 78 1HD1 LEU 78 7.531 -12.092 -11.570 563 2HD1 LEU 78 2HD1 LEU 78 5.834 -12.405 -11.893 564 3HD1 LEU 78 3HD1 LEU 78 6.370 -12.071 -10.248 565 1HD2 LEU 78 1HD2 LEU 78 6.619 -8.966 -13.151 566 2HD2 LEU 78 2HD2 LEU 78 5.345 -10.138 -13.451 567 3HD2 LEU 78 3HD2 LEU 78 7.036 -10.637 -13.523 568 H ALA 79 H ALA 79 3.053 -10.703 -8.715 569 HA ALA 79 HA ALA 79 4.213 -13.089 -7.686 570 1HB ALA 79 1HB ALA 79 1.689 -11.632 -6.815 571 2HB ALA 79 2HB ALA 79 3.312 -11.364 -6.184 572 3HB ALA 79 3HB ALA 79 2.489 -12.895 -5.877 573 H ASN 80 H ASN 80 0.906 -12.485 -8.887 574 HA ASN 80 HA ASN 80 0.040 -15.195 -8.665 575 1HB ASN 80 2HB ASN 80 -0.840 -12.844 -10.321 576 2HB ASN 80 1HB ASN 80 -1.576 -14.425 -10.568 577 1HD2 ASN 80 1HD2 ASN 80 -2.532 -11.814 -9.255 578 2HD2 ASN 80 2HD2 ASN 80 -3.190 -12.306 -7.772 579 H GLU 81 H GLU 81 0.824 -13.475 -11.695 580 HA GLU 81 HA GLU 81 1.220 -15.907 -13.181 581 1HB GLU 81 2HB GLU 81 0.662 -13.482 -14.002 582 2HB GLU 81 1HB GLU 81 2.406 -13.249 -13.991 583 1HG GLU 81 2HG GLU 81 1.899 -13.982 -16.198 584 2HG GLU 81 1HG GLU 81 2.525 -15.418 -15.392 585 H GLY 82 H GLY 82 3.044 -15.033 -10.695 586 1HA GLY 82 2HA GLY 82 5.524 -16.131 -11.917 587 2HA GLY 82 1HA GLY 82 5.640 -14.632 -11.025 588 H LYS 83 H LYS 83 7.097 -16.804 -10.188 589 HA LYS 83 HA LYS 83 5.648 -18.232 -8.087 590 1HB LYS 83 2HB LYS 83 8.581 -17.964 -8.795 591 2HB LYS 83 1HB LYS 83 8.033 -18.849 -7.374 592 1HG LYS 83 2HG LYS 83 6.514 -20.165 -8.997 593 2HG LYS 83 1HG LYS 83 7.497 -19.467 -10.286 594 1HD LYS 83 2HD LYS 83 9.506 -20.446 -9.358 595 2HD LYS 83 1HD LYS 83 8.624 -21.006 -7.936 596 1HE LYS 83 2HE LYS 83 8.180 -21.910 -10.798 597 2HE LYS 83 1HE LYS 83 8.900 -22.868 -9.504 598 1HZ LYS 83 1HZ LYS 83 6.759 -23.575 -9.381 599 2HZ LYS 83 2HZ LYS 83 6.109 -22.102 -9.927 600 3HZ LYS 83 3HZ LYS 83 6.657 -22.252 -8.326 601 H VAL 84 H VAL 84 7.521 -17.914 -5.937 602 HA VAL 84 HA VAL 84 6.678 -15.246 -5.029 603 HB VAL 84 HB VAL 84 8.038 -17.566 -3.644 604 1HG1 VAL 84 1HG1 VAL 84 7.434 -14.760 -2.689 605 2HG1 VAL 84 2HG1 VAL 84 8.946 -15.657 -2.550 606 3HG1 VAL 84 3HG1 VAL 84 7.557 -16.108 -1.561 607 1HG2 VAL 84 1HG2 VAL 84 5.870 -17.553 -2.383 608 2HG2 VAL 84 2HG2 VAL 84 5.655 -17.857 -4.098 609 3HG2 VAL 84 3HG2 VAL 84 5.305 -16.262 -3.436 610 H LYS 85 H LYS 85 9.567 -17.022 -5.901 611 HA LYS 85 HA LYS 85 11.510 -15.156 -5.015 612 1HB LYS 85 2HB LYS 85 11.753 -17.576 -5.992 613 2HB LYS 85 1HB LYS 85 11.797 -16.765 -7.556 614 1HG LYS 85 2HG LYS 85 13.703 -15.425 -6.851 615 2HG LYS 85 1HG LYS 85 13.617 -16.109 -5.230 616 1HD LYS 85 2HD LYS 85 15.376 -17.205 -6.605 617 2HD LYS 85 1HD LYS 85 14.127 -18.337 -6.096 618 1HE LYS 85 2HE LYS 85 13.223 -18.511 -8.240 619 2HE LYS 85 1HE LYS 85 13.838 -16.938 -8.745 620 1HZ LYS 85 1HZ LYS 85 15.999 -18.589 -8.041 621 2HZ LYS 85 2HZ LYS 85 15.630 -17.912 -9.553 622 3HZ LYS 85 3HZ LYS 85 15.009 -19.437 -9.125 623 H GLU 86 H GLU 86 9.978 -15.547 -8.215 624 HA GLU 86 HA GLU 86 11.174 -13.233 -9.398 625 1HB GLU 86 2HB GLU 86 8.500 -14.487 -10.083 626 2HB GLU 86 1HB GLU 86 9.502 -13.490 -11.142 627 1HG GLU 86 2HG GLU 86 10.357 -16.144 -9.950 628 2HG GLU 86 1HG GLU 86 9.777 -15.926 -11.603 629 H ALA 87 H ALA 87 8.300 -13.675 -7.420 630 HA ALA 87 HA ALA 87 7.079 -11.148 -7.962 631 1HB ALA 87 1HB ALA 87 6.902 -12.368 -5.220 632 2HB ALA 87 2HB ALA 87 6.242 -13.251 -6.590 633 3HB ALA 87 3HB ALA 87 5.633 -11.644 -6.212 634 H GLN 88 H GLN 88 9.041 -12.054 -5.086 635 HA GLN 88 HA GLN 88 9.287 -9.388 -4.148 636 1HB GLN 88 2HB GLN 88 10.792 -10.207 -2.557 637 2HB GLN 88 1HB GLN 88 9.807 -11.608 -2.943 638 1HG GLN 88 2HG GLN 88 11.914 -12.546 -3.103 639 2HG GLN 88 1HG GLN 88 11.691 -12.042 -4.770 640 1HE2 GLN 88 1HE2 GLN 88 12.022 -9.148 -3.282 641 2HE2 GLN 88 2HE2 GLN 88 13.709 -8.968 -3.316 642 H ALA 89 H ALA 89 11.052 -11.087 -6.656 643 HA ALA 89 HA ALA 89 13.362 -9.420 -6.779 644 1HB ALA 89 1HB ALA 89 11.855 -10.721 -9.079 645 2HB ALA 89 2HB ALA 89 13.116 -11.499 -8.121 646 3HB ALA 89 3HB ALA 89 13.511 -10.119 -9.146 647 H ALA 90 H ALA 90 10.190 -9.130 -8.345 648 HA ALA 90 HA ALA 90 10.655 -6.718 -9.749 649 1HB ALA 90 1HB ALA 90 8.691 -7.870 -10.337 650 2HB ALA 90 2HB ALA 90 8.082 -6.474 -9.452 651 3HB ALA 90 3HB ALA 90 8.183 -8.046 -8.659 652 H ALA 91 H ALA 91 9.619 -7.310 -6.419 653 HA ALA 91 HA ALA 91 8.986 -4.605 -5.752 654 1HB ALA 91 1HB ALA 91 9.113 -5.316 -3.447 655 2HB ALA 91 2HB ALA 91 10.096 -6.714 -3.883 656 3HB ALA 91 3HB ALA 91 8.407 -6.633 -4.383 657 H GLU 92 H GLU 92 12.077 -6.343 -5.800 658 HA GLU 92 HA GLU 92 13.581 -4.417 -4.321 659 1HB GLU 92 2HB GLU 92 14.564 -6.121 -6.632 660 2HB GLU 92 1HB GLU 92 15.555 -5.386 -5.369 661 1HG GLU 92 2HG GLU 92 13.995 -6.726 -3.732 662 2HG GLU 92 1HG GLU 92 13.631 -7.689 -5.163 663 H GLN 93 H GLN 93 12.761 -4.693 -7.750 664 HA GLN 93 HA GLN 93 14.263 -2.406 -8.615 665 1HB GLN 93 2HB GLN 93 11.643 -3.177 -9.891 666 2HB GLN 93 1HB GLN 93 13.154 -2.679 -10.659 667 1HG GLN 93 2HG GLN 93 14.143 -4.871 -9.676 668 2HG GLN 93 1HG GLN 93 12.469 -5.344 -9.424 669 1HE2 GLN 93 1HE2 GLN 93 11.730 -6.614 -11.134 670 2HE2 GLN 93 2HE2 GLN 93 12.143 -6.394 -12.763 671 H LEU 94 H LEU 94 11.025 -2.809 -7.263 672 HA LEU 94 HA LEU 94 10.279 -0.022 -7.639 673 1HB LEU 94 2HB LEU 94 9.101 -2.203 -5.897 674 2HB LEU 94 1HB LEU 94 8.369 -0.620 -6.156 675 HG LEU 94 HG LEU 94 9.004 -2.612 -8.360 676 1HD1 LEU 94 1HD1 LEU 94 7.231 -3.484 -6.963 677 2HD1 LEU 94 2HD1 LEU 94 6.505 -2.858 -8.442 678 3HD1 LEU 94 3HD1 LEU 94 6.409 -1.924 -6.951 679 1HD2 LEU 94 1HD2 LEU 94 8.952 -0.545 -9.452 680 2HD2 LEU 94 2HD2 LEU 94 7.828 0.165 -8.294 681 3HD2 LEU 94 3HD2 LEU 94 7.243 -0.973 -9.508 682 H LYS 95 H LYS 95 12.135 -1.752 -5.268 683 HA LYS 95 HA LYS 95 11.619 0.032 -3.051 684 1HB LYS 95 2HB LYS 95 12.583 -2.132 -2.583 685 2HB LYS 95 1HB LYS 95 13.912 -1.844 -3.702 686 1HG LYS 95 2HG LYS 95 14.556 -1.562 -1.299 687 2HG LYS 95 1HG LYS 95 14.825 -0.111 -2.256 688 1HD LYS 95 2HD LYS 95 12.913 0.970 -1.354 689 2HD LYS 95 1HD LYS 95 12.258 -0.539 -0.720 690 1HE LYS 95 2HE LYS 95 14.170 -0.676 0.858 691 2HE LYS 95 1HE LYS 95 14.768 0.864 0.244 692 1HZ LYS 95 1HZ LYS 95 13.320 1.965 1.485 693 2HZ LYS 95 2HZ LYS 95 12.952 0.504 2.267 694 3HZ LYS 95 3HZ LYS 95 12.018 1.022 0.946 695 H THR 96 H THR 96 14.009 -0.079 -5.665 696 HA THR 96 HA THR 96 15.580 2.132 -4.776 697 HB THR 96 HB THR 96 15.139 1.448 -7.684 698 HG1 THR 96 1HG THR 96 15.433 -0.542 -6.977 699 1HG2 THR 96 1HG2 THR 96 17.506 1.953 -7.840 700 2HG2 THR 96 2HG2 THR 96 17.631 2.061 -6.084 701 3HG2 THR 96 3HG2 THR 96 16.706 3.267 -6.976 702 H THR 97 H THR 97 12.754 1.876 -6.941 703 HA THR 97 HA THR 97 12.644 4.803 -7.260 704 HB THR 97 HB THR 97 10.947 2.499 -8.259 705 HG1 THR 97 1HG THR 97 11.895 2.991 -10.184 706 1HG2 THR 97 1HG2 THR 97 10.568 5.477 -8.494 707 2HG2 THR 97 2HG2 THR 97 9.388 4.243 -8.059 708 3HG2 THR 97 3HG2 THR 97 9.950 4.374 -9.724 709 H GLY 98 H GLY 98 9.950 2.602 -6.596 710 1HA GLY 98 2HA GLY 98 8.106 2.895 -5.174 711 2HA GLY 98 1HA GLY 98 9.362 3.042 -3.944 712 H ARG 99 H ARG 99 9.872 5.064 -3.149 713 HA ARG 99 HA ARG 99 7.915 7.188 -3.656 714 1HB ARG 99 2HB ARG 99 10.335 7.072 -1.829 715 2HB ARG 99 1HB ARG 99 9.159 8.386 -1.861 716 1HG ARG 99 2HG ARG 99 7.360 6.710 -1.358 717 2HG ARG 99 1HG ARG 99 8.612 5.485 -1.169 718 1HD ARG 99 2HD ARG 99 8.241 7.996 0.483 719 2HD ARG 99 1HD ARG 99 8.099 6.326 1.031 720 HE ARG 99 HE ARG 99 10.607 7.783 0.555 721 1HH1 ARG 99 1HH2 ARG 99 8.979 4.764 1.013 722 2HH1 ARG 99 2HH2 ARG 99 10.417 3.918 1.472 723 1HH2 ARG 99 1HH1 ARG 99 12.483 6.679 1.140 724 2HH2 ARG 99 2HH1 ARG 99 12.394 4.995 1.539 725 H ALA 100 H ALA 100 8.237 8.682 -5.224 726 HA ALA 100 HA ALA 100 10.944 9.700 -5.788 727 1HB ALA 100 1HB ALA 100 9.315 8.514 -8.047 728 2HB ALA 100 2HB ALA 100 10.559 7.592 -7.201 729 3HB ALA 100 3HB ALA 100 10.994 9.053 -8.088 730 H GLY 101 H GLY 101 8.058 10.485 -4.991 731 1HA GLY 101 2HA GLY 101 8.086 13.025 -6.427 732 2HA GLY 101 1HA GLY 101 6.707 12.009 -6.838 733 H ASN 102 H ASN 102 7.689 11.414 -3.648 734 HA ASN 102 HA ASN 102 5.305 12.785 -2.619 735 1HB ASN 102 2HB ASN 102 6.029 10.498 -1.840 736 2HB ASN 102 1HB ASN 102 7.417 11.267 -1.064 737 1HD2 ASN 102 1HD2 ASN 102 7.021 12.601 0.836 738 2HD2 ASN 102 2HD2 ASN 102 5.515 12.625 1.616 739 H GLN 103 H GLN 103 8.027 14.107 -3.522 740 HA GLN 103 HA GLN 103 8.315 15.856 -1.111 741 1HB GLN 103 2HB GLN 103 10.321 14.364 -1.893 742 2HB GLN 103 1HB GLN 103 10.460 15.528 -3.210 743 1HG GLN 103 2HG GLN 103 10.328 17.301 -1.251 744 2HG GLN 103 1HG GLN 103 10.864 15.944 -0.255 745 1HE2 GLN 103 1HE2 GLN 103 11.729 17.312 -3.494 746 2HE2 GLN 103 2HE2 GLN 103 13.406 17.216 -3.244 747 H LYS 104 H LYS 104 10.114 17.448 -3.079 748 HA LYS 104 HA LYS 104 9.865 19.300 -4.465 749 1HB LYS 104 2HB LYS 104 9.031 18.513 -6.424 750 2HB LYS 104 1HB LYS 104 8.262 17.191 -5.562 751 1HG LYS 104 2HG LYS 104 6.284 18.697 -5.120 752 2HG LYS 104 1HG LYS 104 7.070 19.926 -6.116 753 1HD LYS 104 2HD LYS 104 6.948 18.580 -8.079 754 2HD LYS 104 1HD LYS 104 6.561 17.130 -7.155 755 1HE LYS 104 2HE LYS 104 4.404 18.269 -6.454 756 2HE LYS 104 1HE LYS 104 4.787 19.543 -7.614 757 1HZ LYS 104 1HZ LYS 104 4.988 16.847 -8.643 758 2HZ LYS 104 2HZ LYS 104 4.297 18.231 -9.344 759 3HZ LYS 104 3HZ LYS 104 3.420 17.322 -8.209 760 H GLY 105 H GLY 105 6.998 18.301 -2.654 761 1HA GLY 105 2HA GLY 105 6.585 21.099 -1.827 762 2HA GLY 105 1HA GLY 105 5.248 20.330 -2.689 763 H GLY 106 H GLY 106 4.572 18.144 -1.759 764 1HA GLY 106 2HA GLY 106 3.707 16.941 0.055 765 2HA GLY 106 1HA GLY 106 5.226 17.317 0.871
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