NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3688 | 1e10 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 1 H2 PRO 1 3.218 7.803 32.230 2 H3 PRO 1 H3 PRO 1 4.525 7.077 31.419 3 HA PRO 1 HA PRO 1 3.529 7.587 29.510 4 1HB PRO 1 1HB PRO 1 1.264 6.059 29.417 5 2HB PRO 1 2HB PRO 1 2.895 5.377 29.279 6 1HG PRO 1 1HG PRO 1 1.053 5.447 31.614 7 2HG PRO 1 2HG PRO 1 2.166 4.175 31.093 8 1HD PRO 1 1HD PRO 1 2.674 5.927 33.142 9 2HD PRO 1 2HD PRO 1 3.932 5.103 32.201 10 H THR 2 H THR 2 2.934 9.808 29.846 11 HA THR 2 HA THR 2 0.070 10.240 30.636 12 HB THR 2 HB THR 2 2.538 11.978 30.956 13 HG1 THR 2 HG1 THR 2 1.927 11.638 33.205 14 1HG2 THR 2 1HG2 THR 2 0.352 13.191 30.465 15 2HG2 THR 2 2HG2 THR 2 -0.254 12.525 31.982 16 3HG2 THR 2 3HG2 THR 2 1.134 13.614 31.988 17 H VAL 3 H VAL 3 -1.163 11.577 29.289 18 HA VAL 3 HA VAL 3 0.182 12.694 26.854 19 HB VAL 3 HB VAL 3 -2.397 11.107 27.086 20 1HG1 VAL 3 1HG1 VAL 3 -1.860 13.137 25.290 21 2HG1 VAL 3 2HG1 VAL 3 -1.330 11.701 24.414 22 3HG1 VAL 3 3HG1 VAL 3 -2.986 11.808 25.011 23 1HG2 VAL 3 1HG2 VAL 3 0.384 10.437 26.480 24 2HG2 VAL 3 2HG2 VAL 3 -0.971 9.368 26.841 25 3HG2 VAL 3 3HG2 VAL 3 -0.719 9.947 25.194 26 H GLU 4 H GLU 4 -0.271 14.866 26.711 27 HA GLU 4 HA GLU 4 -2.339 16.055 28.426 28 1HB GLU 4 1HB GLU 4 0.122 16.784 27.344 29 2HB GLU 4 2HB GLU 4 -1.035 17.772 26.453 30 1HG GLU 4 1HG GLU 4 -1.905 18.733 28.452 31 2HG GLU 4 2HG GLU 4 -1.121 17.521 29.465 32 H TYR 5 H TYR 5 -4.426 16.310 27.753 33 HA TYR 5 HA TYR 5 -5.009 16.232 24.823 34 1HB TYR 5 2HB TYR 5 -7.267 15.661 25.579 35 2HB TYR 5 1HB TYR 5 -6.098 14.642 26.420 36 HD1 TYR 5 HD1 TYR 5 -8.358 17.556 26.746 37 HD2 TYR 5 HD2 TYR 5 -5.687 14.884 28.788 38 HE1 TYR 5 HE1 TYR 5 -9.188 18.393 28.929 39 HE2 TYR 5 HE2 TYR 5 -6.516 15.720 30.970 40 HH TYR 5 HH TYR 5 -8.842 16.860 31.735 41 H LEU 6 H LEU 6 -5.826 18.038 23.794 42 HA LEU 6 HA LEU 6 -6.643 20.375 25.490 43 1HB LEU 6 1HB LEU 6 -4.336 20.058 23.920 44 2HB LEU 6 2HB LEU 6 -5.405 21.073 22.951 45 HG LEU 6 HG LEU 6 -4.522 21.577 25.809 46 1HD1 LEU 6 1HD1 LEU 6 -3.108 22.101 23.599 47 2HD1 LEU 6 2HD1 LEU 6 -4.171 23.508 23.557 48 3HD1 LEU 6 3HD1 LEU 6 -3.142 23.222 24.961 49 1HD2 LEU 6 1HD2 LEU 6 -6.458 23.101 24.039 50 2HD2 LEU 6 2HD2 LEU 6 -6.861 22.241 25.525 51 3HD2 LEU 6 3HD2 LEU 6 -5.840 23.679 25.587 52 H ASN 7 H ASN 7 -8.704 20.994 24.959 53 HA ASN 7 HA ASN 7 -10.251 19.865 22.858 54 1HB ASN 7 1HB ASN 7 -10.985 21.047 24.980 55 2HB ASN 7 2HB ASN 7 -10.609 22.571 24.176 56 2HD2 ASN 7 2HD2 ASN 7 -12.852 23.263 24.063 57 1HD2 ASN 7 1HD2 ASN 7 -13.977 22.495 23.050 58 H TYR 8 H TYR 8 -9.940 20.172 20.692 59 HA TYR 8 HA TYR 8 -8.296 22.156 19.503 60 1HB TYR 8 1HB TYR 8 -8.919 20.129 18.354 61 2HB TYR 8 2HB TYR 8 -10.635 20.505 18.506 62 HD1 TYR 8 HD1 TYR 8 -7.711 22.622 17.492 63 HD2 TYR 8 HD2 TYR 8 -11.477 20.895 16.362 64 HE1 TYR 8 HE1 TYR 8 -7.634 23.861 15.345 65 HE2 TYR 8 HE2 TYR 8 -11.401 22.135 14.214 66 HH TYR 8 HH TYR 8 -10.160 23.420 12.878 67 H GLU 9 H GLU 9 -11.668 22.240 20.501 68 HA GLU 9 HA GLU 9 -12.486 24.561 19.007 69 1HB GLU 9 1HB GLU 9 -13.764 22.726 20.419 70 2HB GLU 9 2HB GLU 9 -13.524 23.867 21.742 71 1HG GLU 9 1HG GLU 9 -14.437 25.208 19.322 72 2HG GLU 9 2HG GLU 9 -15.567 23.955 19.835 73 H THR 10 H THR 10 -11.009 24.115 22.214 74 HA THR 10 HA THR 10 -11.155 26.828 23.105 75 HB THR 10 HB THR 10 -9.127 24.627 23.634 76 HG1 THR 10 HG1 THR 10 -11.403 25.385 25.134 77 1HG2 THR 10 1HG2 THR 10 -8.945 27.272 24.375 78 2HG2 THR 10 2HG2 THR 10 -9.762 26.551 25.762 79 3HG2 THR 10 3HG2 THR 10 -8.197 25.928 25.238 80 H LEU 11 H LEU 11 -9.054 25.202 20.825 81 HA LEU 11 HA LEU 11 -6.861 27.059 20.819 82 1HB LEU 11 1HB LEU 11 -6.763 24.813 19.856 83 2HB LEU 11 2HB LEU 11 -8.033 25.223 18.703 84 HG LEU 11 HG LEU 11 -6.618 26.801 17.576 85 1HD1 LEU 11 1HD1 LEU 11 -4.829 26.414 19.980 86 2HD1 LEU 11 2HD1 LEU 11 -4.220 27.098 18.473 87 3HD1 LEU 11 3HD1 LEU 11 -5.509 27.917 19.355 88 1HD2 LEU 11 1HD2 LEU 11 -5.071 24.297 18.304 89 2HD2 LEU 11 2HD2 LEU 11 -6.175 24.494 16.943 90 3HD2 LEU 11 3HD2 LEU 11 -4.647 25.374 16.974 91 H ASP 12 H ASP 12 -9.868 26.876 18.904 92 HA ASP 12 HA ASP 12 -9.255 29.272 17.352 93 1HB ASP 12 1HB ASP 12 -11.551 27.372 17.744 94 2HB ASP 12 2HB ASP 12 -11.829 28.889 16.889 95 H ASP 13 H ASP 13 -11.673 28.515 19.893 96 HA ASP 13 HA ASP 13 -12.775 31.070 20.252 97 1HB ASP 13 1HB ASP 13 -13.306 28.778 21.318 98 2HB ASP 13 2HB ASP 13 -12.070 29.185 22.509 99 H GLN 14 H GLN 14 -10.051 29.685 22.138 100 HA GLN 14 HA GLN 14 -9.366 32.126 23.470 101 1HB GLN 14 1HB GLN 14 -8.745 29.691 23.983 102 2HB GLN 14 2HB GLN 14 -7.508 29.852 22.737 103 1HG GLN 14 2HG GLN 14 -6.155 30.796 24.271 104 2HG GLN 14 1HG GLN 14 -7.282 32.148 24.374 105 2HE2 GLN 14 2HE2 GLN 14 -5.903 29.594 26.169 106 1HE2 GLN 14 1HE2 GLN 14 -6.980 29.616 27.480 107 H GLY 15 H GLY 15 -8.788 31.011 20.242 108 1HA GLY 15 2HA GLY 15 -7.654 33.508 19.407 109 2HA GLY 15 1HA GLY 15 -7.683 32.033 18.440 110 H TRP 16 H TRP 16 -6.222 30.405 20.330 111 HA TRP 16 HA TRP 16 -3.568 31.771 20.483 112 1HB TRP 16 1HB TRP 16 -5.108 29.964 22.111 113 2HB TRP 16 2HB TRP 16 -3.579 29.196 21.689 114 HD1 TRP 16 HD1 TRP 16 -2.106 29.541 23.750 115 HE1 TRP 16 HE1 TRP 16 -1.350 31.579 25.135 116 HE3 TRP 16 HE3 TRP 16 -5.016 33.169 21.640 117 HZ2 TRP 16 HZ2 TRP 16 -1.906 34.379 25.323 118 HZ3 TRP 16 HZ3 TRP 16 -4.882 35.510 22.441 119 HH2 TRP 16 HH2 TRP 16 -3.333 36.119 24.278 120 H ASP 17 H ASP 17 -1.800 29.777 20.328 121 HA ASP 17 HA ASP 17 -2.279 28.543 17.636 122 1HB ASP 17 1HB ASP 17 0.247 29.436 19.065 123 2HB ASP 17 2HB ASP 17 0.213 28.682 17.471 124 H MET 18 H MET 18 -1.037 26.439 17.341 125 HA MET 18 HA MET 18 -1.590 24.648 19.586 126 1HB MET 18 1HB MET 18 -1.964 24.167 17.147 127 2HB MET 18 2HB MET 18 -0.213 24.142 16.931 128 1HG MET 18 1HG MET 18 0.007 22.110 17.947 129 2HG MET 18 2HG MET 18 -1.231 22.469 19.150 130 1HE MET 18 1HE MET 18 -2.996 21.650 19.407 131 2HE MET 18 2HE MET 18 -4.248 21.108 18.292 132 3HE MET 18 3HE MET 18 -2.982 19.991 18.796 133 H ASP 19 H ASP 19 1.332 25.941 17.999 134 HA ASP 19 HA ASP 19 2.943 24.748 20.237 135 1HB ASP 19 1HB ASP 19 4.740 24.535 18.508 136 2HB ASP 19 2HB ASP 19 3.302 23.593 18.115 137 H ASP 20 H ASP 20 2.000 27.608 18.619 138 HA ASP 20 HA ASP 20 4.412 29.170 18.974 139 1HB ASP 20 1HB ASP 20 2.028 29.421 17.656 140 2HB ASP 20 2HB ASP 20 1.774 30.513 19.017 141 H ASP 21 H ASP 21 1.290 29.730 20.627 142 HA ASP 21 HA ASP 21 2.653 30.889 22.940 143 1HB ASP 21 1HB ASP 21 -0.038 30.637 21.799 144 2HB ASP 21 2HB ASP 21 -0.022 30.561 23.561 145 H ASP 22 H ASP 22 2.574 27.781 22.128 146 HA ASP 22 HA ASP 22 2.477 25.735 23.320 147 1HB ASP 22 1HB ASP 22 3.373 27.776 25.381 148 2HB ASP 22 2HB ASP 22 3.488 26.032 25.617 149 H LEU 23 H LEU 23 -0.065 26.643 23.021 150 HA LEU 23 HA LEU 23 -1.739 27.400 25.052 151 1HB LEU 23 1HB LEU 23 -1.864 25.834 22.659 152 2HB LEU 23 2HB LEU 23 -2.865 25.047 23.879 153 HG LEU 23 HG LEU 23 -3.045 27.923 22.944 154 1HD1 LEU 23 1HD1 LEU 23 -4.212 25.593 21.970 155 2HD1 LEU 23 2HD1 LEU 23 -5.458 26.272 23.016 156 3HD1 LEU 23 3HD1 LEU 23 -4.799 27.232 21.692 157 1HD2 LEU 23 1HD2 LEU 23 -4.070 26.535 25.384 158 2HD2 LEU 23 2HD2 LEU 23 -3.565 28.213 25.177 159 3HD2 LEU 23 3HD2 LEU 23 -5.141 27.686 24.585 160 H PHE 24 H PHE 24 -0.384 24.106 24.695 161 HA PHE 24 HA PHE 24 -1.680 22.830 26.848 162 1HB PHE 24 1HB PHE 24 0.992 22.607 25.486 163 2HB PHE 24 2HB PHE 24 0.646 21.586 26.882 164 HD1 PHE 24 HD1 PHE 24 -1.400 20.097 26.845 165 HD2 PHE 24 HD2 PHE 24 0.036 22.149 23.356 166 HE1 PHE 24 HE1 PHE 24 -2.719 18.570 25.405 167 HE2 PHE 24 HE2 PHE 24 -1.284 20.622 21.916 168 HZ PHE 24 HZ PHE 24 -2.661 18.832 22.940 169 H GLU 25 H GLU 25 0.935 25.167 26.854 170 HA GLU 25 HA GLU 25 1.420 24.760 29.763 171 1HB GLU 25 1HB GLU 25 2.735 26.585 27.725 172 2HB GLU 25 2HB GLU 25 3.352 26.198 29.331 173 1HG GLU 25 1HG GLU 25 3.101 23.702 28.426 174 2HG GLU 25 2HG GLU 25 3.277 24.507 26.867 175 H LYS 26 H LYS 26 0.275 27.233 27.471 176 HA LYS 26 HA LYS 26 -0.076 29.293 29.484 177 1HB LYS 26 1HB LYS 26 -0.650 28.812 26.610 178 2HB LYS 26 2HB LYS 26 -1.658 30.022 27.405 179 1HG LYS 26 1HG LYS 26 1.329 30.062 27.776 180 2HG LYS 26 2HG LYS 26 0.606 30.776 26.335 181 1HD LYS 26 1HD LYS 26 -1.005 31.819 28.267 182 2HD LYS 26 2HD LYS 26 0.519 31.699 29.148 183 1HE LYS 26 1HE LYS 26 1.626 33.169 27.683 184 2HE LYS 26 2HE LYS 26 0.464 32.886 26.373 185 1HZ LYS 26 1HZ LYS 26 -0.400 34.006 28.970 186 2HZ LYS 26 2HZ LYS 26 0.222 35.022 27.759 187 3HZ LYS 26 3HZ LYS 26 -1.176 34.103 27.462 188 H ALA 27 H ALA 27 -2.139 26.776 28.100 189 HA ALA 27 HA ALA 27 -4.667 27.693 29.042 190 1HB ALA 27 1HB ALA 27 -4.372 25.881 27.429 191 2HB ALA 27 3HB ALA 27 -3.526 24.909 28.633 192 3HB ALA 27 2HB ALA 27 -5.243 25.259 28.831 193 H ALA 28 H ALA 28 -1.998 26.103 30.689 194 HA ALA 28 HA ALA 28 -3.516 25.338 33.054 195 1HB ALA 28 1HB ALA 28 -0.549 25.826 32.978 196 2HB ALA 28 3HB ALA 28 -1.233 24.508 32.026 197 3HB ALA 28 2HB ALA 28 -1.438 24.531 33.778 198 H ASP 29 H ASP 29 -2.139 28.277 31.883 199 HA ASP 29 HA ASP 29 -1.828 29.507 34.544 200 1HB ASP 29 1HB ASP 29 -1.253 30.105 31.697 201 2HB ASP 29 2HB ASP 29 -1.609 31.509 32.703 202 H ALA 30 H ALA 30 -4.350 29.029 32.267 203 HA ALA 30 HA ALA 30 -5.899 31.357 33.325 204 1HB ALA 30 1HB ALA 30 -7.076 29.785 31.163 205 2HB ALA 30 3HB ALA 30 -5.443 30.326 30.773 206 3HB ALA 30 2HB ALA 30 -6.682 31.504 31.204 207 H GLY 31 H GLY 31 -6.880 28.160 32.111 208 1HA GLY 31 2HA GLY 31 -8.492 27.821 34.610 209 2HA GLY 31 1HA GLY 31 -7.678 26.468 33.825 210 H LEU 32 H LEU 32 -8.336 26.157 31.447 211 HA LEU 32 HA LEU 32 -11.026 27.130 30.731 212 1HB LEU 32 2HB LEU 32 -9.111 25.191 29.388 213 2HB LEU 32 1HB LEU 32 -10.521 25.934 28.634 214 HG LEU 32 HG LEU 32 -8.671 27.851 29.900 215 1HD1 LEU 32 1HD1 LEU 32 -7.052 26.202 29.012 216 2HD1 LEU 32 2HD1 LEU 32 -7.832 26.295 27.433 217 3HD1 LEU 32 3HD1 LEU 32 -7.002 27.706 28.091 218 1HD2 LEU 32 1HD2 LEU 32 -10.504 27.616 27.613 219 2HD2 LEU 32 2HD2 LEU 32 -10.081 29.034 28.572 220 3HD2 LEU 32 3HD2 LEU 32 -9.035 28.521 27.248 221 H ASP 33 H ASP 33 -12.357 25.140 29.614 222 HA ASP 33 HA ASP 33 -13.521 23.610 31.662 223 1HB ASP 33 1HB ASP 33 -13.234 23.210 28.674 224 2HB ASP 33 2HB ASP 33 -14.265 22.180 29.666 225 H GLY 34 H GLY 34 -12.410 22.178 32.963 226 1HA GLY 34 2HA GLY 34 -11.195 20.238 33.521 227 2HA GLY 34 1HA GLY 34 -9.965 20.929 32.463 228 H GLU 35 H GLU 35 -13.178 19.964 31.392 229 HA GLU 35 HA GLU 35 -12.391 17.362 30.375 230 1HB GLU 35 1HB GLU 35 -14.712 18.516 30.998 231 2HB GLU 35 2HB GLU 35 -14.690 18.948 29.289 232 1HG GLU 35 1HG GLU 35 -14.024 16.377 29.025 233 2HG GLU 35 2HG GLU 35 -14.874 16.251 30.565 234 H ASP 36 H ASP 36 -11.798 20.539 29.314 235 HA ASP 36 HA ASP 36 -11.603 19.750 26.443 236 1HB ASP 36 1HB ASP 36 -11.646 22.323 28.020 237 2HB ASP 36 2HB ASP 36 -11.134 22.310 26.333 238 H TYR 37 H TYR 37 -9.640 21.120 29.095 239 HA TYR 37 HA TYR 37 -7.189 20.262 27.590 240 1HB TYR 37 1HB TYR 37 -7.222 22.605 27.377 241 2HB TYR 37 2HB TYR 37 -7.930 22.834 28.974 242 HD1 TYR 37 HD1 TYR 37 -4.902 21.063 27.618 243 HD2 TYR 37 HD2 TYR 37 -6.483 23.849 30.480 244 HE1 TYR 37 HE1 TYR 37 -2.637 21.354 28.587 245 HE2 TYR 37 HE2 TYR 37 -4.219 24.139 31.449 246 HH TYR 37 HH TYR 37 -1.502 23.453 30.009 247 H GLY 38 H GLY 38 -5.496 19.438 28.921 248 1HA GLY 38 2HA GLY 38 -6.376 18.398 31.519 249 2HA GLY 38 1HA GLY 38 -5.054 19.562 31.613 250 H THR 39 H THR 39 -3.779 17.714 32.458 251 HA THR 39 HA THR 39 -2.373 16.332 30.264 252 HB THR 39 HB THR 39 -1.745 15.856 33.136 253 HG1 THR 39 HG1 THR 39 -0.958 17.942 33.374 254 1HG2 THR 39 1HG2 THR 39 -0.417 15.319 30.901 255 2HG2 THR 39 2HG2 THR 39 0.124 16.986 31.093 256 3HG2 THR 39 3HG2 THR 39 0.436 15.806 32.366 257 H MET 40 H MET 40 -3.169 14.372 29.585 258 HA MET 40 HA MET 40 -4.911 12.768 31.327 259 1HB MET 40 1HB MET 40 -4.816 13.244 28.675 260 2HB MET 40 2HB MET 40 -3.866 11.760 28.726 261 1HG MET 40 1HG MET 40 -6.478 11.916 30.208 262 2HG MET 40 2HG MET 40 -6.472 11.601 28.473 263 1HE MET 40 1HE MET 40 -6.409 9.946 27.495 264 2HE MET 40 2HE MET 40 -5.235 8.629 27.620 265 3HE MET 40 3HE MET 40 -6.855 8.436 28.286 266 H GLU 41 H GLU 41 -4.369 10.673 32.121 267 HA GLU 41 HA GLU 41 -1.518 9.818 31.793 268 1HB GLU 41 1HB GLU 41 -2.848 10.900 34.101 269 2HB GLU 41 2HB GLU 41 -2.421 9.221 34.428 270 1HG GLU 41 1HG GLU 41 -0.100 9.801 33.485 271 2HG GLU 41 2HG GLU 41 -0.591 11.489 33.623 272 H VAL 42 H VAL 42 -1.707 7.831 30.808 273 HA VAL 42 HA VAL 42 -3.661 5.886 31.980 274 HB VAL 42 HB VAL 42 -4.707 6.694 29.998 275 1HG1 VAL 42 1HG1 VAL 42 -2.639 7.869 29.172 276 2HG1 VAL 42 2HG1 VAL 42 -2.067 6.320 28.553 277 3HG1 VAL 42 3HG1 VAL 42 -3.539 7.042 27.901 278 1HG2 VAL 42 1HG2 VAL 42 -4.528 4.193 30.181 279 2HG2 VAL 42 2HG2 VAL 42 -4.694 4.765 28.521 280 3HG2 VAL 42 3HG2 VAL 42 -3.116 4.263 29.127 281 H ALA 43 H ALA 43 -2.887 3.748 32.054 282 HA ALA 43 HA ALA 43 -0.098 3.260 32.151 283 1HB ALA 43 1HB ALA 43 -2.559 1.904 32.553 284 2HB ALA 43 3HB ALA 43 -0.951 1.367 33.041 285 3HB ALA 43 2HB ALA 43 -1.601 0.893 31.472 286 H GLU 44 H GLU 44 1.340 2.308 30.638 287 HA GLU 44 HA GLU 44 0.938 2.919 27.862 288 1HB GLU 44 1HB GLU 44 3.026 2.345 29.521 289 2HB GLU 44 2HB GLU 44 2.895 0.829 28.630 290 1HG GLU 44 1HG GLU 44 2.751 3.352 27.048 291 2HG GLU 44 2HG GLU 44 4.326 2.902 27.702 292 H GLY 45 H GLY 45 -0.282 1.781 26.416 293 1HA GLY 45 2HA GLY 45 -0.565 -1.167 26.831 294 2HA GLY 45 1HA GLY 45 -0.641 -0.378 25.255 295 H GLU 46 H GLU 46 -2.182 1.322 27.802 296 HA GLU 46 HA GLU 46 -4.819 0.053 27.420 297 1HB GLU 46 1HB GLU 46 -3.452 1.571 29.381 298 2HB GLU 46 2HB GLU 46 -4.813 2.562 28.855 299 1HG GLU 46 1HG GLU 46 -6.320 0.598 29.202 300 2HG GLU 46 2HG GLU 46 -4.945 -0.303 29.841 301 H TYR 47 H TYR 47 -6.294 0.774 25.928 302 HA TYR 47 HA TYR 47 -5.776 2.624 23.892 303 1HB TYR 47 1HB TYR 47 -8.465 2.040 25.170 304 2HB TYR 47 2HB TYR 47 -8.166 2.490 23.491 305 HD1 TYR 47 HD1 TYR 47 -5.715 0.843 22.956 306 HD2 TYR 47 HD2 TYR 47 -9.391 -0.138 24.950 307 HE1 TYR 47 HE1 TYR 47 -5.393 -1.547 22.375 308 HE2 TYR 47 HE2 TYR 47 -9.070 -2.527 24.369 309 HH TYR 47 HH TYR 47 -6.979 -3.589 22.054 310 H ILE 48 H ILE 48 -5.319 4.779 24.099 311 HA ILE 48 HA ILE 48 -5.621 6.415 26.346 312 HB ILE 48 HB ILE 48 -5.716 7.005 23.376 313 1HG1 ILE 48 1HG1 ILE 48 -3.510 7.262 25.443 314 2HG1 ILE 48 2HG1 ILE 48 -3.649 5.956 24.265 315 1HG2 ILE 48 1HG2 ILE 48 -5.402 8.907 25.719 316 2HG2 ILE 48 2HG2 ILE 48 -5.110 9.338 24.033 317 3HG2 ILE 48 3HG2 ILE 48 -6.731 8.885 24.560 318 1HD1 ILE 48 1HD1 ILE 48 -3.716 8.773 23.261 319 2HD1 ILE 48 2HD1 ILE 48 -2.162 8.108 23.762 320 3HD1 ILE 48 3HD1 ILE 48 -3.086 7.322 22.482 321 H LEU 49 H LEU 49 -7.791 6.576 23.496 322 HA LEU 49 HA LEU 49 -9.806 8.204 24.418 323 1HB LEU 49 1HB LEU 49 -9.809 7.213 22.213 324 2HB LEU 49 2HB LEU 49 -9.958 5.591 22.888 325 HG LEU 49 HG LEU 49 -12.094 7.106 23.968 326 1HD1 LEU 49 1HD1 LEU 49 -11.568 8.662 22.021 327 2HD1 LEU 49 2HD1 LEU 49 -12.015 7.334 20.950 328 3HD1 LEU 49 3HD1 LEU 49 -13.210 8.020 22.051 329 1HD2 LEU 49 1HD2 LEU 49 -11.693 4.617 22.966 330 2HD2 LEU 49 2HD2 LEU 49 -13.296 5.292 23.261 331 3HD2 LEU 49 3HD2 LEU 49 -12.604 5.339 21.639 332 H GLU 50 H GLU 50 -9.334 4.785 25.287 333 HA GLU 50 HA GLU 50 -11.766 4.590 26.868 334 1HB GLU 50 1HB GLU 50 -10.331 2.771 25.717 335 2HB GLU 50 2HB GLU 50 -9.266 2.910 27.116 336 1HG GLU 50 1HG GLU 50 -10.711 1.227 27.826 337 2HG GLU 50 2HG GLU 50 -11.518 2.657 28.470 338 H ALA 51 H ALA 51 -8.293 4.758 27.763 339 HA ALA 51 HA ALA 51 -8.575 4.921 30.551 340 1HB ALA 51 1HB ALA 51 -6.565 6.676 29.248 341 2HB ALA 51 3HB ALA 51 -6.552 4.984 28.750 342 3HB ALA 51 2HB ALA 51 -6.331 5.405 30.448 343 H ALA 52 H ALA 52 -8.762 7.520 28.145 344 HA ALA 52 HA ALA 52 -9.188 9.598 30.161 345 1HB ALA 52 1HB ALA 52 -8.507 9.371 27.416 346 2HB ALA 52 3HB ALA 52 -9.998 10.311 27.488 347 3HB ALA 52 2HB ALA 52 -8.575 10.846 28.382 348 H GLU 53 H GLU 53 -11.185 7.591 28.063 349 HA GLU 53 HA GLU 53 -13.653 8.992 28.248 350 1HB GLU 53 1HB GLU 53 -13.385 7.190 26.701 351 2HB GLU 53 2HB GLU 53 -12.866 6.082 27.971 352 1HG GLU 53 1HG GLU 53 -15.033 5.815 28.804 353 2HG GLU 53 2HG GLU 53 -15.586 7.349 28.133 354 H ALA 54 H ALA 54 -11.965 6.955 30.550 355 HA ALA 54 HA ALA 54 -14.233 6.488 32.308 356 1HB ALA 54 1HB ALA 54 -11.417 6.478 33.292 357 2HB ALA 54 3HB ALA 54 -11.800 5.388 31.959 358 3HB ALA 54 2HB ALA 54 -12.675 5.258 33.485 359 H GLN 55 H GLN 55 -11.846 9.037 31.934 360 HA GLN 55 HA GLN 55 -12.406 10.254 34.551 361 1HB GLN 55 2HB GLN 55 -10.895 11.206 32.094 362 2HB GLN 55 1HB GLN 55 -10.819 11.950 33.691 363 1HG GLN 55 1HG GLN 55 -10.322 9.062 33.760 364 2HG GLN 55 2HG GLN 55 -9.148 9.934 32.774 365 2HE2 GLN 55 2HE2 GLN 55 -7.438 10.831 33.935 366 1HE2 GLN 55 1HE2 GLN 55 -7.473 11.206 35.590 367 H GLY 56 H GLY 56 -13.850 10.296 31.441 368 1HA GLY 56 2HA GLY 56 -15.333 12.792 32.166 369 2HA GLY 56 1HA GLY 56 -16.083 11.426 31.341 370 H TYR 57 H TYR 57 -12.950 11.813 30.209 371 HA TYR 57 HA TYR 57 -13.196 13.985 28.360 372 1HB TYR 57 1HB TYR 57 -11.564 11.428 28.376 373 2HB TYR 57 2HB TYR 57 -11.274 12.769 27.268 374 HD1 TYR 57 HD1 TYR 57 -11.737 15.124 28.946 375 HD2 TYR 57 HD2 TYR 57 -9.771 11.425 29.895 376 HE1 TYR 57 HE1 TYR 57 -10.412 16.278 30.695 377 HE2 TYR 57 HE2 TYR 57 -8.445 12.578 31.643 378 HH TYR 57 HH TYR 57 -8.347 14.492 32.911 379 H ASP 58 H ASP 58 -14.510 14.101 26.587 380 HA ASP 58 HA ASP 58 -15.648 11.576 25.474 381 1HB ASP 58 1HB ASP 58 -16.959 13.668 26.325 382 2HB ASP 58 2HB ASP 58 -16.466 14.398 24.796 383 H TRP 59 H TRP 59 -15.536 11.186 23.194 384 HA TRP 59 HA TRP 59 -13.695 12.962 21.637 385 1HB TRP 59 1HB TRP 59 -13.641 9.930 21.787 386 2HB TRP 59 2HB TRP 59 -12.534 10.942 20.861 387 HD1 TRP 59 HD1 TRP 59 -13.548 10.217 24.505 388 HE1 TRP 59 HE1 TRP 59 -11.550 10.787 26.031 389 HE3 TRP 59 HE3 TRP 59 -10.338 12.194 21.059 390 HZ2 TRP 59 HZ2 TRP 59 -8.937 11.929 25.819 391 HZ3 TRP 59 HZ3 TRP 59 -8.103 13.013 21.748 392 HH2 TRP 59 HH2 TRP 59 -7.399 12.884 24.122 393 HA PRO 60 HA PRO 60 -16.872 12.502 18.614 394 1HB PRO 60 1HB PRO 60 -15.456 13.312 16.415 395 2HB PRO 60 2HB PRO 60 -16.047 14.436 17.653 396 1HG PRO 60 2HG PRO 60 -13.319 13.301 17.261 397 2HG PRO 60 1HG PRO 60 -13.801 14.931 17.751 398 1HD PRO 60 1HD PRO 60 -12.910 13.020 19.493 399 2HD PRO 60 2HD PRO 60 -14.006 14.339 19.955 400 H PHE 61 H PHE 61 -16.657 10.070 18.949 401 HA PHE 61 HA PHE 61 -14.928 8.322 17.637 402 1HB PHE 61 1HB PHE 61 -17.670 8.339 18.686 403 2HB PHE 61 2HB PHE 61 -17.424 7.135 17.421 404 HD1 PHE 61 HD1 PHE 61 -14.963 5.946 17.645 405 HD2 PHE 61 HD2 PHE 61 -17.292 7.594 20.857 406 HE1 PHE 61 HE1 PHE 61 -13.767 4.492 19.259 407 HE2 PHE 61 HE2 PHE 61 -16.094 6.140 22.470 408 HZ PHE 61 HZ PHE 61 -14.332 4.589 21.671 409 H SER 62 H SER 62 -14.325 9.141 15.545 410 HA SER 62 HA SER 62 -16.393 9.614 13.503 411 1HB SER 62 1HB SER 62 -14.224 10.891 13.790 412 2HB SER 62 2HB SER 62 -13.375 9.440 13.257 413 HG SER 62 HG SER 62 -15.089 9.665 11.445 414 H CYS 63 H CYS 63 -16.511 6.955 14.515 415 HA CYS 63 HA CYS 63 -15.066 5.170 12.681 416 1HB CYS 63 1HB CYS 63 -16.581 5.070 15.149 417 2HB CYS 63 2HB CYS 63 -17.151 3.827 14.036 418 H ARG 64 H ARG 64 -15.806 4.830 10.620 419 HA ARG 64 HA ARG 64 -18.603 5.499 9.922 420 1HB ARG 64 1HB ARG 64 -16.014 5.428 8.677 421 2HB ARG 64 2HB ARG 64 -17.117 4.413 7.747 422 1HG ARG 64 1HG ARG 64 -18.443 6.183 7.135 423 2HG ARG 64 2HG ARG 64 -18.187 7.034 8.658 424 1HD ARG 64 1HD ARG 64 -15.667 7.135 7.627 425 2HD ARG 64 2HD ARG 64 -16.629 7.176 6.137 426 HE ARG 64 HE ARG 64 -17.822 8.916 8.078 427 1HH1 ARG 64 1HH1 ARG 64 -17.286 9.677 5.230 428 2HH1 ARG 64 2HH1 ARG 64 -16.076 10.904 5.405 429 1HH2 ARG 64 1HH2 ARG 64 -15.291 10.039 8.670 430 2HH2 ARG 64 2HH2 ARG 64 -14.945 11.108 7.351 431 H ALA 65 H ALA 65 -19.683 3.853 8.356 432 HA ALA 65 HA ALA 65 -19.911 1.292 9.726 433 1HB ALA 65 1HB ALA 65 -21.823 2.426 8.720 434 2HB ALA 65 3HB ALA 65 -21.037 2.418 7.141 435 3HB ALA 65 2HB ALA 65 -21.562 0.902 7.872 436 H GLY 66 H GLY 66 -18.442 -0.333 9.397 437 1HA GLY 66 2HA GLY 66 -17.525 -0.851 6.614 438 2HA GLY 66 1HA GLY 66 -17.487 -2.021 7.934 439 H ALA 67 H ALA 67 -15.739 -1.957 9.409 440 HA ALA 67 HA ALA 67 -13.550 -1.447 10.149 441 1HB ALA 67 1HB ALA 67 -12.907 -0.479 7.404 442 2HB ALA 67 2HB ALA 67 -13.560 -2.112 7.535 443 3HB ALA 67 3HB ALA 67 -12.078 -1.684 8.389 444 H CYS 68 H CYS 68 -11.789 0.452 9.899 445 HA CYS 68 HA CYS 68 -12.740 3.098 9.237 446 1HB CYS 68 1HB CYS 68 -14.212 2.787 11.107 447 2HB CYS 68 2HB CYS 68 -12.918 2.105 12.093 448 H ALA 69 H ALA 69 -11.130 4.743 9.800 449 HA ALA 69 HA ALA 69 -8.691 4.072 11.223 450 1HB ALA 69 1HB ALA 69 -7.242 3.762 9.339 451 2HB ALA 69 2HB ALA 69 -8.643 2.734 9.037 452 3HB ALA 69 3HB ALA 69 -8.492 4.284 8.209 453 H ASN 70 H ASN 70 -10.672 6.256 11.020 454 HA ASN 70 HA ASN 70 -8.760 8.496 10.644 455 1HB ASN 70 1HB ASN 70 -10.871 7.706 8.809 456 2HB ASN 70 2HB ASN 70 -11.147 9.339 9.415 457 2HD2 ASN 70 2HD2 ASN 70 -10.143 8.365 6.687 458 1HD2 ASN 70 1HD2 ASN 70 -8.687 9.205 6.449 459 H CYS 71 H CYS 71 -9.273 8.130 13.098 460 HA CYS 71 HA CYS 71 -11.824 8.746 14.211 461 1HB CYS 71 1HB CYS 71 -9.069 9.329 15.342 462 2HB CYS 71 2HB CYS 71 -10.543 9.014 16.258 463 H ALA 72 H ALA 72 -9.981 11.032 15.725 464 HA ALA 72 HA ALA 72 -10.148 13.266 13.898 465 1HB ALA 72 1HB ALA 72 -12.486 12.444 15.513 466 2HB ALA 72 3HB ALA 72 -12.099 14.162 15.596 467 3HB ALA 72 2HB ALA 72 -12.426 13.407 14.036 468 H SER 73 H SER 73 -7.980 13.233 15.042 469 HA SER 73 HA SER 73 -8.115 14.958 17.466 470 1HB SER 73 2HB SER 73 -6.514 12.389 17.210 471 2HB SER 73 1HB SER 73 -6.513 13.466 18.606 472 HG SER 73 HG SER 73 -8.539 12.892 19.086 473 H ILE 74 H ILE 74 -5.682 15.613 17.990 474 HA ILE 74 HA ILE 74 -4.046 15.794 15.505 475 HB ILE 74 HB ILE 74 -4.886 18.168 17.199 476 1HG1 ILE 74 1HG1 ILE 74 -6.783 17.177 15.909 477 2HG1 ILE 74 2HG1 ILE 74 -6.344 18.786 15.340 478 1HG2 ILE 74 1HG2 ILE 74 -3.003 17.728 14.961 479 2HG2 ILE 74 2HG2 ILE 74 -4.053 19.134 14.791 480 3HG2 ILE 74 3HG2 ILE 74 -3.004 18.982 16.201 481 1HD1 ILE 74 1HD1 ILE 74 -5.075 16.367 14.080 482 2HD1 ILE 74 2HD1 ILE 74 -6.697 16.858 13.593 483 3HD1 ILE 74 3HD1 ILE 74 -5.342 17.969 13.392 484 H VAL 75 H VAL 75 -2.533 14.422 16.674 485 HA VAL 75 HA VAL 75 -1.536 14.810 19.279 486 HB VAL 75 HB VAL 75 -1.049 12.879 17.849 487 1HG1 VAL 75 1HG1 VAL 75 -0.448 14.905 15.950 488 2HG1 VAL 75 2HG1 VAL 75 1.039 13.995 16.213 489 3HG1 VAL 75 3HG1 VAL 75 -0.428 13.159 15.703 490 1HG2 VAL 75 1HG2 VAL 75 0.594 13.670 19.652 491 2HG2 VAL 75 2HG2 VAL 75 1.249 12.588 18.423 492 3HG2 VAL 75 3HG2 VAL 75 1.566 14.320 18.332 493 H LYS 76 H LYS 76 -0.621 16.646 20.124 494 HA LYS 76 HA LYS 76 0.535 18.700 18.364 495 1HB LYS 76 1HB LYS 76 -0.875 18.789 20.631 496 2HB LYS 76 2HB LYS 76 0.735 18.736 21.349 497 1HG LYS 76 1HG LYS 76 0.760 20.588 19.154 498 2HG LYS 76 2HG LYS 76 -0.591 20.983 20.216 499 1HD LYS 76 1HD LYS 76 0.939 22.032 21.515 500 2HD LYS 76 2HD LYS 76 1.462 20.417 21.994 501 1HE LYS 76 1HE LYS 76 3.272 20.421 20.485 502 2HE LYS 76 2HE LYS 76 2.546 21.687 19.476 503 1HZ LYS 76 1HZ LYS 76 2.664 23.118 21.551 504 2HZ LYS 76 2HZ LYS 76 3.708 21.943 22.193 505 3HZ LYS 76 3HZ LYS 76 4.144 22.787 20.786 506 H GLU 77 H GLU 77 1.682 15.946 20.063 507 HA GLU 77 HA GLU 77 4.356 16.141 19.149 508 1HB GLU 77 1HB GLU 77 3.669 17.925 21.284 509 2HB GLU 77 2HB GLU 77 4.806 16.730 21.907 510 1HG GLU 77 1HG GLU 77 5.255 18.204 19.303 511 2HG GLU 77 2HG GLU 77 5.854 18.804 20.850 512 H GLY 78 H GLY 78 4.999 14.032 19.285 513 1HA GLY 78 2HA GLY 78 3.989 12.409 21.586 514 2HA GLY 78 1HA GLY 78 5.652 12.266 21.016 515 H GLU 79 H GLU 79 4.402 9.936 20.962 516 HA GLU 79 HA GLU 79 3.336 9.589 18.180 517 1HB GLU 79 1HB GLU 79 5.703 9.000 18.257 518 2HB GLU 79 2HB GLU 79 5.436 7.988 19.677 519 1HG GLU 79 1HG GLU 79 4.413 6.310 18.459 520 2HG GLU 79 2HG GLU 79 3.811 7.424 17.232 521 H ILE 80 H ILE 80 1.762 7.932 17.972 522 HA ILE 80 HA ILE 80 0.828 6.709 20.551 523 HB ILE 80 HB ILE 80 -0.696 7.714 18.125 524 1HG1 ILE 80 1HG1 ILE 80 -0.491 8.691 20.990 525 2HG1 ILE 80 2HG1 ILE 80 0.102 9.521 19.552 526 1HG2 ILE 80 1HG2 ILE 80 -1.524 5.611 19.508 527 2HG2 ILE 80 2HG2 ILE 80 -1.994 6.839 20.683 528 3HG2 ILE 80 3HG2 ILE 80 -2.660 6.880 19.050 529 1HD1 ILE 80 1HD1 ILE 80 -2.803 8.853 20.125 530 2HD1 ILE 80 2HD1 ILE 80 -2.070 10.449 20.285 531 3HD1 ILE 80 3HD1 ILE 80 -2.205 9.696 18.696 532 H ASP 81 H ASP 81 0.161 4.515 20.441 533 HA ASP 81 HA ASP 81 1.087 3.042 18.018 534 1HB ASP 81 1HB ASP 81 1.358 2.733 20.801 535 2HB ASP 81 2HB ASP 81 0.254 1.451 20.303 536 H MET 82 H MET 82 -0.303 1.281 17.197 537 HA MET 82 HA MET 82 -3.084 1.069 18.066 538 1HB MET 82 1HB MET 82 -3.964 2.046 15.915 539 2HB MET 82 2HB MET 82 -3.160 3.229 16.948 540 1HG MET 82 1HG MET 82 -1.153 3.135 15.623 541 2HG MET 82 2HG MET 82 -1.751 1.746 14.714 542 1HE MET 82 1HE MET 82 -2.677 1.730 12.784 543 2HE MET 82 2HE MET 82 -4.334 2.086 13.265 544 3HE MET 82 3HE MET 82 -3.596 2.953 11.911 545 H ASP 83 H ASP 83 -4.335 -0.222 16.238 546 HA ASP 83 HA ASP 83 -3.033 -2.699 15.779 547 1HB ASP 83 1HB ASP 83 -5.547 -1.480 15.391 548 2HB ASP 83 2HB ASP 83 -5.069 -2.085 13.805 549 H MET 84 H MET 84 -3.190 -3.438 13.183 550 HA MET 84 HA MET 84 -0.842 -2.578 11.935 551 1HB MET 84 1HB MET 84 -1.852 -3.579 9.914 552 2HB MET 84 2HB MET 84 -2.213 -4.554 11.339 553 1HG MET 84 1HG MET 84 -4.294 -2.712 11.272 554 2HG MET 84 2HG MET 84 -4.035 -3.099 9.571 555 1HE MET 84 1HE MET 84 -6.406 -3.960 9.491 556 2HE MET 84 2HE MET 84 -7.068 -5.306 10.428 557 3HE MET 84 3HE MET 84 -6.721 -3.768 11.214 558 H GLN 85 H GLN 85 -1.006 -1.477 9.568 559 HA GLN 85 HA GLN 85 -2.886 0.794 9.478 560 1HB GLN 85 1HB GLN 85 -0.986 1.335 11.088 561 2HB GLN 85 2HB GLN 85 0.098 1.268 9.699 562 1HG GLN 85 1HG GLN 85 -2.167 2.883 9.006 563 2HG GLN 85 2HG GLN 85 -1.528 3.450 10.549 564 2HE2 GLN 85 2HE2 GLN 85 1.148 3.286 10.411 565 1HE2 GLN 85 1HE2 GLN 85 1.780 4.080 9.050 566 H GLN 86 H GLN 86 -2.701 1.971 7.427 567 HA GLN 86 HA GLN 86 -0.781 1.325 5.389 568 1HB GLN 86 1HB GLN 86 -2.400 -0.776 5.914 569 2HB GLN 86 2HB GLN 86 -3.394 0.063 4.723 570 1HG GLN 86 1HG GLN 86 -1.381 0.148 3.213 571 2HG GLN 86 2HG GLN 86 -0.530 -0.868 4.376 572 2HE2 GLN 86 2HE2 GLN 86 -0.572 -2.277 2.222 573 1HE2 GLN 86 1HE2 GLN 86 -1.880 -3.350 2.082 574 H ILE 87 H ILE 87 -4.309 1.898 5.700 575 HA ILE 87 HA ILE 87 -4.574 3.571 3.404 576 HB ILE 87 HB ILE 87 -6.081 3.357 6.027 577 1HG1 ILE 87 1HG1 ILE 87 -6.121 1.311 4.727 578 2HG1 ILE 87 2HG1 ILE 87 -7.690 2.100 4.558 579 1HG2 ILE 87 1HG2 ILE 87 -6.378 5.217 3.779 580 2HG2 ILE 87 2HG2 ILE 87 -7.847 4.300 4.114 581 3HG2 ILE 87 3HG2 ILE 87 -7.106 5.272 5.384 582 1HD1 ILE 87 1HD1 ILE 87 -6.574 3.231 2.461 583 2HD1 ILE 87 2HD1 ILE 87 -5.461 1.866 2.556 584 3HD1 ILE 87 3HD1 ILE 87 -7.188 1.583 2.337 585 H LEU 88 H LEU 88 -4.176 4.461 6.858 586 HA LEU 88 HA LEU 88 -4.155 7.258 6.616 587 1HB LEU 88 1HB LEU 88 -3.997 5.662 8.654 588 2HB LEU 88 2HB LEU 88 -2.256 5.706 8.381 589 HG LEU 88 HG LEU 88 -3.362 8.382 8.281 590 1HD1 LEU 88 1HD1 LEU 88 -4.990 7.086 9.862 591 2HD1 LEU 88 2HD1 LEU 88 -3.633 7.093 10.988 592 3HD1 LEU 88 3HD1 LEU 88 -4.311 8.617 10.416 593 1HD2 LEU 88 1HD2 LEU 88 -1.122 6.886 9.400 594 2HD2 LEU 88 2HD2 LEU 88 -1.198 8.576 8.900 595 3HD2 LEU 88 3HD2 LEU 88 -1.716 8.111 10.520 596 H SER 89 H SER 89 -2.146 8.689 6.780 597 HA SER 89 HA SER 89 0.181 7.605 5.249 598 1HB SER 89 1HB SER 89 -0.571 8.736 3.440 599 2HB SER 89 2HB SER 89 -1.879 9.454 4.379 600 HG SER 89 HG SER 89 -0.749 11.202 4.026 601 H ASP 90 H ASP 90 2.138 8.441 5.978 602 HA ASP 90 HA ASP 90 2.419 9.650 8.491 603 1HB ASP 90 2HB ASP 90 4.712 9.975 7.810 604 2HB ASP 90 1HB ASP 90 4.138 8.512 7.010 605 H GLU 91 H GLU 91 2.183 11.206 5.305 606 HA GLU 91 HA GLU 91 2.741 13.880 6.036 607 1HB GLU 91 1HB GLU 91 2.180 12.641 3.764 608 2HB GLU 91 2HB GLU 91 0.538 13.181 4.115 609 1HG GLU 91 1HG GLU 91 1.265 15.052 2.991 610 2HG GLU 91 2HG GLU 91 1.850 15.482 4.598 611 H GLU 92 H GLU 92 -0.110 11.909 6.590 612 HA GLU 92 HA GLU 92 -1.900 14.089 7.282 613 1HB GLU 92 1HB GLU 92 -1.976 11.306 6.850 614 2HB GLU 92 2HB GLU 92 -2.479 11.528 8.526 615 1HG GLU 92 1HG GLU 92 -4.445 11.661 7.098 616 2HG GLU 92 2HG GLU 92 -4.110 13.266 7.748 617 H VAL 93 H VAL 93 0.261 11.933 9.102 618 HA VAL 93 HA VAL 93 -0.557 12.950 11.714 619 HB VAL 93 HB VAL 93 1.938 11.432 10.894 620 1HG1 VAL 93 1HG1 VAL 93 0.604 12.136 13.436 621 2HG1 VAL 93 2HG1 VAL 93 1.089 10.446 13.298 622 3HG1 VAL 93 3HG1 VAL 93 2.290 11.724 13.126 623 1HG2 VAL 93 1HG2 VAL 93 -0.901 10.658 10.877 624 2HG2 VAL 93 2HG2 VAL 93 0.482 9.876 10.111 625 3HG2 VAL 93 3HG2 VAL 93 0.125 9.570 11.811 626 H GLU 94 H GLU 94 1.662 13.947 9.245 627 HA GLU 94 HA GLU 94 3.253 15.611 11.126 628 1HB GLU 94 1HB GLU 94 4.471 14.356 9.469 629 2HB GLU 94 2HB GLU 94 3.414 14.927 8.178 630 1HG GLU 94 1HG GLU 94 5.425 16.233 8.044 631 2HG GLU 94 2HG GLU 94 4.190 17.282 8.741 632 H GLU 95 H GLU 95 1.070 15.956 8.320 633 HA GLU 95 HA GLU 95 1.140 18.908 8.567 634 1HB GLU 95 1HB GLU 95 1.191 17.550 6.400 635 2HB GLU 95 2HB GLU 95 -0.501 17.164 6.713 636 1HG GLU 95 1HG GLU 95 -0.615 19.829 7.055 637 2HG GLU 95 2HG GLU 95 0.741 19.757 5.929 638 H LYS 96 H LYS 96 -0.897 16.202 9.449 639 HA LYS 96 HA LYS 96 -3.024 18.131 10.328 640 1HB LYS 96 1HB LYS 96 -3.063 15.814 8.672 641 2HB LYS 96 2HB LYS 96 -3.922 15.407 10.158 642 1HG LYS 96 1HG LYS 96 -5.696 16.459 9.216 643 2HG LYS 96 2HG LYS 96 -4.845 17.954 9.606 644 1HD LYS 96 1HD LYS 96 -4.296 18.348 7.433 645 2HD LYS 96 2HD LYS 96 -3.936 16.650 7.119 646 1HE LYS 96 1HE LYS 96 -6.797 17.524 7.512 647 2HE LYS 96 2HE LYS 96 -6.014 17.711 5.931 648 1HZ LYS 96 1HZ LYS 96 -5.208 15.311 6.388 649 2HZ LYS 96 2HZ LYS 96 -6.503 15.249 7.486 650 3HZ LYS 96 3HZ LYS 96 -6.798 15.547 5.840 651 H ASP 97 H ASP 97 -0.740 15.738 11.314 652 HA ASP 97 HA ASP 97 -0.264 14.812 13.436 653 1HB ASP 97 1HB ASP 97 -1.489 17.469 13.767 654 2HB ASP 97 2HB ASP 97 -1.602 16.452 15.204 655 H VAL 98 H VAL 98 -2.937 14.205 11.955 656 HA VAL 98 HA VAL 98 -4.786 13.561 14.142 657 HB VAL 98 HB VAL 98 -5.373 14.271 11.775 658 1HG1 VAL 98 1HG1 VAL 98 -4.422 11.448 11.205 659 2HG1 VAL 98 2HG1 VAL 98 -5.335 12.445 10.072 660 3HG1 VAL 98 3HG1 VAL 98 -3.719 12.938 10.577 661 1HG2 VAL 98 1HG2 VAL 98 -6.737 12.704 13.504 662 2HG2 VAL 98 2HG2 VAL 98 -7.379 13.173 11.929 663 3HG2 VAL 98 3HG2 VAL 98 -6.617 11.596 12.137 664 H ARG 99 H ARG 99 -5.575 11.199 14.319 665 HA ARG 99 HA ARG 99 -3.898 9.027 13.427 666 1HB ARG 99 1HB ARG 99 -3.051 10.622 15.706 667 2HB ARG 99 2HB ARG 99 -3.276 8.933 16.162 668 1HG ARG 99 1HG ARG 99 -1.902 9.323 13.580 669 2HG ARG 99 2HG ARG 99 -1.010 9.924 14.979 670 1HD ARG 99 1HD ARG 99 -1.189 7.741 16.078 671 2HD ARG 99 2HD ARG 99 -2.185 7.128 14.743 672 HE ARG 99 HE ARG 99 0.417 8.273 13.954 673 1HH1 ARG 99 1HH1 ARG 99 -0.722 6.420 12.096 674 2HH1 ARG 99 2HH1 ARG 99 0.009 4.900 12.485 675 1HH2 ARG 99 1HH2 ARG 99 1.060 5.911 15.632 676 2HH2 ARG 99 2HH2 ARG 99 1.019 4.611 14.488 677 H LEU 100 H LEU 100 -4.185 7.168 15.380 678 HA LEU 100 HA LEU 100 -7.142 6.916 15.641 679 1HB LEU 100 1HB LEU 100 -4.812 5.187 15.220 680 2HB LEU 100 2HB LEU 100 -5.913 4.552 16.442 681 HG LEU 100 HG LEU 100 -7.780 5.115 14.712 682 1HD1 LEU 100 1HD1 LEU 100 -5.552 6.064 13.315 683 2HD1 LEU 100 2HD1 LEU 100 -5.934 4.529 12.535 684 3HD1 LEU 100 3HD1 LEU 100 -7.162 5.791 12.648 685 1HD2 LEU 100 1HD2 LEU 100 -5.903 2.845 14.904 686 2HD2 LEU 100 2HD2 LEU 100 -7.667 2.851 14.931 687 3HD2 LEU 100 3HD2 LEU 100 -6.808 2.916 13.392 688 H THR 101 H THR 101 -8.005 7.436 17.620 689 HA THR 101 HA THR 101 -6.257 7.142 20.041 690 HB THR 101 HB THR 101 -8.666 8.928 19.571 691 HG1 THR 101 HG1 THR 101 -6.601 10.410 19.723 692 1HG2 THR 101 1HG2 THR 101 -7.602 8.155 21.948 693 2HG2 THR 101 2HG2 THR 101 -6.600 9.562 21.595 694 3HG2 THR 101 3HG2 THR 101 -8.353 9.728 21.684 695 H CYS 102 H CYS 102 -9.229 6.177 18.508 696 HA CYS 102 HA CYS 102 -10.853 5.447 20.700 697 1HB CYS 102 1HB CYS 102 -10.397 4.031 18.051 698 2HB CYS 102 2HB CYS 102 -11.814 3.834 19.081 699 H ILE 103 H ILE 103 -9.125 2.945 18.847 700 HA ILE 103 HA ILE 103 -8.613 1.493 21.409 701 HB ILE 103 HB ILE 103 -8.491 -0.463 19.935 702 1HG1 ILE 103 1HG1 ILE 103 -8.865 1.512 17.664 703 2HG1 ILE 103 2HG1 ILE 103 -7.340 0.722 18.061 704 1HG2 ILE 103 1HG2 ILE 103 -10.732 0.346 20.612 705 2HG2 ILE 103 2HG2 ILE 103 -10.793 1.361 19.172 706 3HG2 ILE 103 3HG2 ILE 103 -10.774 -0.395 19.012 707 1HD1 ILE 103 1HD1 ILE 103 -8.403 -1.487 17.709 708 2HD1 ILE 103 2HD1 ILE 103 -9.914 -0.683 17.283 709 3HD1 ILE 103 3HD1 ILE 103 -8.493 -0.491 16.256 710 H GLY 104 H GLY 104 -6.924 3.745 20.419 711 1HA GLY 104 2HA GLY 104 -4.690 3.964 19.393 712 2HA GLY 104 1HA GLY 104 -4.413 2.263 19.768 713 H SER 105 H SER 105 -2.576 2.599 21.064 714 HA SER 105 HA SER 105 -3.114 3.945 23.689 715 1HB SER 105 1HB SER 105 -1.100 2.353 24.278 716 2HB SER 105 2HB SER 105 -2.715 1.670 24.089 717 HG SER 105 HG SER 105 -2.174 0.834 22.193 718 HA PRO 106 HA PRO 106 0.200 6.727 22.967 719 1HB PRO 106 1HB PRO 106 1.402 6.868 25.420 720 2HB PRO 106 2HB PRO 106 -0.176 7.597 25.072 721 1HG PRO 106 2HG PRO 106 0.476 5.049 26.467 722 2HG PRO 106 1HG PRO 106 -0.795 6.229 26.812 723 1HD PRO 106 1HD PRO 106 -1.215 3.854 25.507 724 2HD PRO 106 2HD PRO 106 -2.241 5.290 25.311 725 H ALA 107 H ALA 107 2.186 6.461 22.004 726 HA ALA 107 HA ALA 107 3.686 3.951 22.499 727 1HB ALA 107 1HB ALA 107 3.339 5.968 20.375 728 2HB ALA 107 3HB ALA 107 3.669 4.242 20.237 729 3HB ALA 107 2HB ALA 107 4.991 5.371 20.534 730 H ALA 108 H ALA 108 3.851 7.350 23.230 731 HA ALA 108 HA ALA 108 6.671 7.015 24.201 732 1HB ALA 108 1HB ALA 108 7.056 9.163 23.457 733 2HB ALA 108 3HB ALA 108 5.418 9.695 23.839 734 3HB ALA 108 2HB ALA 108 5.723 8.763 22.374 735 H ASP 109 H ASP 109 6.919 8.975 26.009 736 HA ASP 109 HA ASP 109 5.145 8.129 28.203 737 1HB ASP 109 1HB ASP 109 7.657 8.453 28.315 738 2HB ASP 109 2HB ASP 109 7.374 10.186 28.154 739 H GLU 110 H GLU 110 6.258 11.412 27.310 740 HA GLU 110 HA GLU 110 3.589 12.471 28.094 741 1HB GLU 110 1HB GLU 110 6.376 13.539 27.704 742 2HB GLU 110 2HB GLU 110 5.011 14.655 27.707 743 1HG GLU 110 1HG GLU 110 4.398 13.187 29.895 744 2HG GLU 110 2HG GLU 110 6.156 13.057 29.936 745 H VAL 111 H VAL 111 2.190 12.327 26.335 746 HA VAL 111 HA VAL 111 3.206 13.367 23.708 747 HB VAL 111 HB VAL 111 1.031 11.325 24.260 748 1HG1 VAL 111 1HG1 VAL 111 1.665 12.838 21.966 749 2HG1 VAL 111 2HG1 VAL 111 2.309 11.224 21.665 750 3HG1 VAL 111 3HG1 VAL 111 0.601 11.435 22.051 751 1HG2 VAL 111 1HG2 VAL 111 3.400 10.657 24.929 752 2HG2 VAL 111 2HG2 VAL 111 2.627 9.620 23.731 753 3HG2 VAL 111 3HG2 VAL 111 3.828 10.809 23.225 754 H LYS 112 H LYS 112 2.156 15.183 23.008 755 HA LYS 112 HA LYS 112 -0.319 16.035 24.422 756 1HB LYS 112 1HB LYS 112 1.759 17.334 22.653 757 2HB LYS 112 2HB LYS 112 0.252 18.160 23.051 758 1HG LYS 112 1HG LYS 112 0.736 18.084 25.404 759 2HG LYS 112 2HG LYS 112 2.096 16.991 25.149 760 1HD LYS 112 1HD LYS 112 3.113 18.855 23.702 761 2HD LYS 112 2HD LYS 112 1.884 19.911 24.398 762 1HE LYS 112 1HE LYS 112 2.719 19.503 26.645 763 2HE LYS 112 2HE LYS 112 3.840 18.266 26.047 764 1HZ LYS 112 1HZ LYS 112 3.876 20.933 24.814 765 2HZ LYS 112 2HZ LYS 112 4.617 20.741 26.330 766 3HZ LYS 112 3HZ LYS 112 5.143 19.818 25.006 767 H ILE 113 H ILE 113 -2.265 16.398 23.282 768 HA ILE 113 HA ILE 113 -2.387 16.078 20.361 769 HB ILE 113 HB ILE 113 -2.226 13.766 21.203 770 1HG1 ILE 113 1HG1 ILE 113 -5.103 13.786 20.621 771 2HG1 ILE 113 2HG1 ILE 113 -4.162 14.764 19.494 772 1HG2 ILE 113 1HG2 ILE 113 -4.009 14.850 23.226 773 2HG2 ILE 113 2HG2 ILE 113 -4.678 13.382 22.515 774 3HG2 ILE 113 3HG2 ILE 113 -3.077 13.353 23.252 775 1HD1 ILE 113 1HD1 ILE 113 -2.649 12.842 19.106 776 2HD1 ILE 113 2HD1 ILE 113 -3.614 11.867 20.215 777 3HD1 ILE 113 3HD1 ILE 113 -4.317 12.437 18.701 778 H VAL 114 H VAL 114 -4.381 16.862 19.535 779 HA VAL 114 HA VAL 114 -6.033 18.364 21.487 780 HB VAL 114 HB VAL 114 -4.975 18.874 18.979 781 1HG1 VAL 114 1HG1 VAL 114 -7.930 18.268 18.683 782 2HG1 VAL 114 2HG1 VAL 114 -7.003 19.226 17.529 783 3HG1 VAL 114 3HG1 VAL 114 -6.600 17.529 17.792 784 1HG2 VAL 114 1HG2 VAL 114 -5.760 20.462 20.769 785 2HG2 VAL 114 2HG2 VAL 114 -6.172 20.963 19.129 786 3HG2 VAL 114 3HG2 VAL 114 -7.403 20.240 20.165 787 H TYR 115 H TYR 115 -8.140 17.765 21.988 788 HA TYR 115 HA TYR 115 -9.165 15.280 20.686 789 1HB TYR 115 2HB TYR 115 -9.786 14.693 22.794 790 2HB TYR 115 1HB TYR 115 -8.785 16.037 23.331 791 HD1 TYR 115 HD1 TYR 115 -9.832 18.288 23.731 792 HD2 TYR 115 HD2 TYR 115 -12.170 14.766 22.976 793 HE1 TYR 115 HE1 TYR 115 -11.839 19.428 24.632 794 HE2 TYR 115 HE2 TYR 115 -14.179 15.906 23.881 795 HH TYR 115 HH TYR 115 -14.480 19.096 24.227 796 H ASN 116 H ASN 116 -11.571 15.211 20.337 797 HA ASN 116 HA ASN 116 -13.576 16.120 19.473 798 1HB ASN 116 1HB ASN 116 -12.497 18.013 21.394 799 2HB ASN 116 2HB ASN 116 -13.359 18.849 20.109 800 2HD2 ASN 116 2HD2 ASN 116 -14.061 15.580 21.411 801 1HD2 ASN 116 1HD2 ASN 116 -15.619 15.967 21.965 802 H ALA 117 H ALA 117 -11.269 15.956 17.759 803 HA ALA 117 HA ALA 117 -10.726 18.377 16.328 804 1HB ALA 117 1HB ALA 117 -9.484 16.170 16.293 805 2HB ALA 117 3HB ALA 117 -9.784 16.853 14.695 806 3HB ALA 117 2HB ALA 117 -10.785 15.528 15.290 807 H LYS 118 H LYS 118 -13.473 16.254 16.346 808 HA LYS 118 HA LYS 118 -14.641 16.414 13.856 809 1HB LYS 118 1HB LYS 118 -16.776 16.394 15.091 810 2HB LYS 118 2HB LYS 118 -15.587 15.377 15.905 811 1HG LYS 118 1HG LYS 118 -15.148 17.060 17.555 812 2HG LYS 118 2HG LYS 118 -16.044 18.277 16.645 813 1HD LYS 118 1HD LYS 118 -17.839 16.136 17.019 814 2HD LYS 118 2HD LYS 118 -17.031 16.353 18.571 815 1HE LYS 118 1HE LYS 118 -17.520 18.962 17.842 816 2HE LYS 118 2HE LYS 118 -18.947 18.127 17.198 817 H HIS 119 H HIS 119 -14.158 19.072 16.116 818 HA HIS 119 HA HIS 119 -15.949 20.982 14.968 819 1HB HIS 119 1HB HIS 119 -13.295 21.217 16.415 820 2HB HIS 119 2HB HIS 119 -14.338 22.595 16.074 821 HD1 HIS 119 HD1 HIS 119 -16.991 22.058 16.918 822 HD2 HIS 119 HD2 HIS 119 -13.848 20.160 18.895 823 HE1 HIS 119 HE1 HIS 119 -17.903 21.310 19.159 824 H LEU 120 H LEU 120 -12.864 19.746 13.904 825 HA LEU 120 HA LEU 120 -11.710 21.698 12.343 826 1HB LEU 120 1HB LEU 120 -11.953 18.812 12.368 827 2HB LEU 120 2HB LEU 120 -11.841 19.400 10.709 828 HG LEU 120 HG LEU 120 -9.909 20.908 11.749 829 1HD1 LEU 120 1HD1 LEU 120 -10.299 20.090 14.056 830 2HD1 LEU 120 2HD1 LEU 120 -9.942 18.447 13.524 831 3HD1 LEU 120 3HD1 LEU 120 -8.680 19.678 13.492 832 1HD2 LEU 120 1HD2 LEU 120 -9.873 18.055 10.808 833 2HD2 LEU 120 2HD2 LEU 120 -9.298 19.505 9.985 834 3HD2 LEU 120 3HD2 LEU 120 -8.367 18.818 11.316 835 H ASP 121 H ASP 121 -12.030 22.482 10.175 836 HA ASP 121 HA ASP 121 -14.843 22.740 9.384 837 1HB ASP 121 1HB ASP 121 -12.573 24.279 9.245 838 2HB ASP 121 2HB ASP 121 -12.691 23.678 7.591 839 H TYR 122 H TYR 122 -12.154 20.715 8.560 840 HA TYR 122 HA TYR 122 -12.882 20.035 5.857 841 1HB TYR 122 1HB TYR 122 -10.873 19.483 7.745 842 2HB TYR 122 2HB TYR 122 -11.593 17.916 7.375 843 HD1 TYR 122 HD1 TYR 122 -12.095 17.523 4.783 844 HD2 TYR 122 HD2 TYR 122 -9.191 20.278 6.341 845 HE1 TYR 122 HE1 TYR 122 -10.892 17.482 2.614 846 HE2 TYR 122 HE2 TYR 122 -7.989 20.237 4.173 847 HH TYR 122 HH TYR 122 -9.347 18.871 1.344 848 H LEU 123 H LEU 123 -14.438 19.397 8.800 849 HA LEU 123 HA LEU 123 -15.921 17.099 7.564 850 1HB LEU 123 1HB LEU 123 -15.039 17.531 10.437 851 2HB LEU 123 2HB LEU 123 -16.038 16.186 9.886 852 HG LEU 123 HG LEU 123 -13.685 16.442 8.217 853 1HD1 LEU 123 1HD1 LEU 123 -13.194 17.193 10.867 854 2HD1 LEU 123 2HD1 LEU 123 -12.718 15.496 10.799 855 3HD1 LEU 123 3HD1 LEU 123 -11.989 16.661 9.693 856 1HD2 LEU 123 1HD2 LEU 123 -15.379 14.471 9.074 857 2HD2 LEU 123 2HD2 LEU 123 -13.817 14.169 8.313 858 3HD2 LEU 123 3HD2 LEU 123 -13.958 14.156 10.071 859 H GLN 124 H GLN 124 -16.014 19.988 9.590 860 HA GLN 124 HA GLN 124 -18.530 20.020 10.705 861 1HB GLN 124 1HB GLN 124 -16.664 21.810 10.515 862 2HB GLN 124 2HB GLN 124 -17.506 22.330 9.055 863 1HG GLN 124 1HG GLN 124 -19.082 23.386 10.272 864 2HG GLN 124 2HG GLN 124 -19.388 21.932 11.222 865 2HE2 GLN 124 2HE2 GLN 124 -19.424 22.963 13.307 866 1HE2 GLN 124 1HE2 GLN 124 -18.058 23.710 13.983 867 H ASN 125 H ASN 125 -17.795 20.667 7.280 868 HA ASN 125 HA ASN 125 -20.486 21.252 6.467 869 1HB ASN 125 1HB ASN 125 -18.101 20.122 4.966 870 2HB ASN 125 2HB ASN 125 -19.527 20.828 4.208 871 2HD2 ASN 125 2HD2 ASN 125 -17.042 22.030 3.705 872 1HD2 ASN 125 1HD2 ASN 125 -16.955 23.523 4.508 873 H ARG 126 H ARG 126 -18.642 18.214 6.653 874 HA ARG 126 HA ARG 126 -20.888 16.671 5.505 875 1HB ARG 126 1HB ARG 126 -18.027 16.372 6.064 876 2HB ARG 126 2HB ARG 126 -18.951 14.927 6.473 877 1HG ARG 126 1HG ARG 126 -18.808 14.427 4.265 878 2HG ARG 126 2HG ARG 126 -20.043 15.667 4.045 879 1HD ARG 126 1HD ARG 126 -18.165 17.367 3.850 880 2HD ARG 126 2HD ARG 126 -17.035 16.000 3.805 881 HE ARG 126 HE ARG 126 -19.273 15.724 1.938 882 1HH1 ARG 126 1HH1 ARG 126 -17.214 18.231 1.859 883 2HH1 ARG 126 2HH1 ARG 126 -16.303 17.739 0.471 884 1HH2 ARG 126 1HH2 ARG 126 -17.629 14.536 0.405 885 2HH2 ARG 126 2HH2 ARG 126 -16.540 15.648 -0.354 886 H VAL 127 H VAL 127 -21.026 18.107 8.221 887 HA VAL 127 HA VAL 127 -21.059 16.036 10.258 888 HB VAL 127 HB VAL 127 -22.104 18.858 9.976 889 1HG1 VAL 127 1HG1 VAL 127 -22.831 16.810 11.951 890 2HG1 VAL 127 2HG1 VAL 127 -22.174 18.276 12.679 891 3HG1 VAL 127 3HG1 VAL 127 -23.583 18.372 11.623 892 1HG2 VAL 127 1HG2 VAL 127 -19.601 18.099 10.318 893 2HG2 VAL 127 2HG2 VAL 127 -20.243 19.457 11.243 894 3HG2 VAL 127 3HG2 VAL 127 -20.112 17.865 11.990 895 H ILE 128 H ILE 128 -23.598 17.684 8.353 896 HA ILE 128 HA ILE 128 -25.776 16.150 9.506 897 HB ILE 128 HB ILE 128 -25.619 17.661 6.880 898 1HG1 ILE 128 2HG1 ILE 128 -24.773 19.132 8.589 899 2HG1 ILE 128 1HG1 ILE 128 -26.450 19.594 8.295 900 1HG2 ILE 128 1HG2 ILE 128 -27.680 16.183 8.014 901 2HG2 ILE 128 2HG2 ILE 128 -28.045 17.836 8.508 902 3HG2 ILE 128 3HG2 ILE 128 -27.870 17.445 6.798 903 1HD1 ILE 128 1HD1 ILE 128 -26.813 17.727 10.228 904 2HD1 ILE 128 2HD1 ILE 128 -25.223 18.337 10.689 905 3HD1 ILE 128 3HD1 ILE 128 -26.593 19.442 10.575 No H/Q in entry = 905 Start of MODEL 2 1 H2 PRO 1 H2 PRO 1 3.341 7.872 30.658 2 H3 PRO 1 H3 PRO 1 3.952 6.783 29.502 3 HA PRO 1 HA PRO 1 2.235 7.279 28.199 4 1HB PRO 1 1HB PRO 1 -0.005 6.410 29.507 5 2HB PRO 1 2HB PRO 1 1.191 5.306 28.800 6 1HG PRO 1 2HG PRO 1 0.835 6.166 31.632 7 2HG PRO 1 1HG PRO 1 1.238 4.570 30.982 8 1HD PRO 1 1HD PRO 1 3.080 6.256 32.067 9 2HD PRO 1 2HD PRO 1 3.470 5.067 30.808 10 H THR 2 H THR 2 2.723 9.665 28.788 11 HA THR 2 HA THR 2 0.427 10.881 30.287 12 HB THR 2 HB THR 2 3.064 12.188 29.598 13 HG1 THR 2 HG1 THR 2 3.927 11.310 31.400 14 1HG2 THR 2 1HG2 THR 2 0.945 12.580 31.722 15 2HG2 THR 2 2HG2 THR 2 2.518 13.376 31.771 16 3HG2 THR 2 3HG2 THR 2 1.406 13.704 30.443 17 H VAL 3 H VAL 3 -1.075 11.247 28.630 18 HA VAL 3 HA VAL 3 -0.109 12.690 26.188 19 HB VAL 3 HB VAL 3 -2.640 11.109 26.755 20 1HG1 VAL 3 1HG1 VAL 3 -1.683 12.748 24.462 21 2HG1 VAL 3 2HG1 VAL 3 -2.438 11.204 24.067 22 3HG1 VAL 3 3HG1 VAL 3 -3.331 12.410 24.993 23 1HG2 VAL 3 1HG2 VAL 3 0.038 10.298 26.098 24 2HG2 VAL 3 2HG2 VAL 3 -1.390 9.289 26.330 25 3HG2 VAL 3 3HG2 VAL 3 -1.022 9.941 24.733 26 H GLU 4 H GLU 4 -0.403 14.881 26.444 27 HA GLU 4 HA GLU 4 -2.458 15.963 28.235 28 1HB GLU 4 1HB GLU 4 -0.038 16.779 27.672 29 2HB GLU 4 2HB GLU 4 -0.795 17.511 26.258 30 1HG GLU 4 1HG GLU 4 -2.110 18.956 27.549 31 2HG GLU 4 2HG GLU 4 -1.989 17.938 28.985 32 H TYR 5 H TYR 5 -4.549 16.216 27.553 33 HA TYR 5 HA TYR 5 -5.123 16.394 24.639 34 1HB TYR 5 1HB TYR 5 -7.434 15.947 25.408 35 2HB TYR 5 2HB TYR 5 -6.308 14.764 26.072 36 HD1 TYR 5 HD1 TYR 5 -8.206 17.869 26.837 37 HD2 TYR 5 HD2 TYR 5 -5.924 14.595 28.424 38 HE1 TYR 5 HE1 TYR 5 -8.896 18.501 29.134 39 HE2 TYR 5 HE2 TYR 5 -6.612 15.227 30.721 40 HH TYR 5 HH TYR 5 -8.683 18.074 31.299 41 H LEU 6 H LEU 6 -5.934 18.264 23.709 42 HA LEU 6 HA LEU 6 -6.523 20.580 25.528 43 1HB LEU 6 1HB LEU 6 -4.311 20.291 23.971 44 2HB LEU 6 2HB LEU 6 -5.400 21.064 22.820 45 HG LEU 6 HG LEU 6 -4.531 22.099 25.527 46 1HD1 LEU 6 1HD1 LEU 6 -3.787 22.573 22.769 47 2HD1 LEU 6 2HD1 LEU 6 -4.402 24.054 23.502 48 3HD1 LEU 6 3HD1 LEU 6 -3.044 23.202 24.240 49 1HD2 LEU 6 1HD2 LEU 6 -6.941 22.707 23.880 50 2HD2 LEU 6 2HD2 LEU 6 -6.725 22.794 25.628 51 3HD2 LEU 6 3HD2 LEU 6 -6.090 24.076 24.597 52 H ASN 7 H ASN 7 -8.499 21.525 25.103 53 HA ASN 7 HA ASN 7 -10.331 20.427 23.194 54 1HB ASN 7 1HB ASN 7 -10.826 21.661 25.335 55 2HB ASN 7 2HB ASN 7 -10.355 23.154 24.525 56 2HD2 ASN 7 2HD2 ASN 7 -12.561 24.019 24.643 57 1HD2 ASN 7 1HD2 ASN 7 -13.803 23.397 23.668 58 H TYR 8 H TYR 8 -10.100 20.657 21.005 59 HA TYR 8 HA TYR 8 -8.456 22.546 19.670 60 1HB TYR 8 1HB TYR 8 -9.217 20.500 18.633 61 2HB TYR 8 2HB TYR 8 -10.905 20.962 18.843 62 HD1 TYR 8 HD1 TYR 8 -11.754 23.048 17.634 63 HD2 TYR 8 HD2 TYR 8 -8.004 21.167 16.714 64 HE1 TYR 8 HE1 TYR 8 -11.713 24.205 15.440 65 HE2 TYR 8 HE2 TYR 8 -7.963 22.324 14.520 66 HH TYR 8 HH TYR 8 -8.895 24.101 13.363 67 H GLU 9 H GLU 9 -11.589 22.918 21.092 68 HA GLU 9 HA GLU 9 -12.501 25.140 19.457 69 1HB GLU 9 1HB GLU 9 -13.361 23.516 21.689 70 2HB GLU 9 2HB GLU 9 -13.663 25.219 22.036 71 1HG GLU 9 1HG GLU 9 -14.575 25.243 19.556 72 2HG GLU 9 2HG GLU 9 -14.760 23.511 19.826 73 H THR 10 H THR 10 -10.828 24.855 22.600 74 HA THR 10 HA THR 10 -10.788 27.602 23.317 75 HB THR 10 HB THR 10 -8.689 25.441 23.724 76 HG1 THR 10 HG1 THR 10 -11.201 25.605 24.544 77 1HG2 THR 10 1HG2 THR 10 -9.302 27.971 25.274 78 2HG2 THR 10 2HG2 THR 10 -8.138 26.739 25.762 79 3HG2 THR 10 3HG2 THR 10 -7.867 27.676 24.293 80 H LEU 11 H LEU 11 -8.796 25.754 21.055 81 HA LEU 11 HA LEU 11 -6.813 27.834 20.626 82 1HB LEU 11 1HB LEU 11 -6.290 25.528 20.174 83 2HB LEU 11 2HB LEU 11 -7.706 25.349 19.138 84 HG LEU 11 HG LEU 11 -6.760 26.781 17.459 85 1HD1 LEU 11 1HD1 LEU 11 -5.781 28.404 19.118 86 2HD1 LEU 11 2HD1 LEU 11 -4.443 27.278 19.349 87 3HD1 LEU 11 3HD1 LEU 11 -4.705 28.025 17.773 88 1HD2 LEU 11 1HD2 LEU 11 -5.069 24.613 18.590 89 2HD2 LEU 11 2HD2 LEU 11 -5.763 24.773 16.977 90 3HD2 LEU 11 3HD2 LEU 11 -4.301 25.664 17.399 91 H ASP 12 H ASP 12 -9.804 26.820 18.979 92 HA ASP 12 HA ASP 12 -9.555 28.834 16.869 93 1HB ASP 12 1HB ASP 12 -10.660 26.739 16.415 94 2HB ASP 12 2HB ASP 12 -11.718 26.932 17.813 95 H ASP 13 H ASP 13 -11.513 28.418 19.825 96 HA ASP 13 HA ASP 13 -13.069 30.813 19.544 97 1HB ASP 13 1HB ASP 13 -13.254 28.691 21.079 98 2HB ASP 13 2HB ASP 13 -12.226 29.613 22.175 99 H GLN 14 H GLN 14 -9.965 30.139 21.162 100 HA GLN 14 HA GLN 14 -9.694 32.894 22.141 101 1HB GLN 14 1HB GLN 14 -8.839 30.612 23.103 102 2HB GLN 14 2HB GLN 14 -7.511 30.824 21.961 103 1HG GLN 14 1HG GLN 14 -6.802 31.806 24.039 104 2HG GLN 14 2HG GLN 14 -7.177 33.140 22.947 105 2HE2 GLN 14 2HE2 GLN 14 -8.377 31.335 25.774 106 1HE2 GLN 14 1HE2 GLN 14 -9.521 32.498 26.241 107 H GLY 15 H GLY 15 -8.497 30.956 19.430 108 1HA GLY 15 2HA GLY 15 -7.772 33.366 17.964 109 2HA GLY 15 1HA GLY 15 -7.570 31.709 17.393 110 H TRP 16 H TRP 16 -5.950 30.631 19.366 111 HA TRP 16 HA TRP 16 -3.540 32.410 19.415 112 1HB TRP 16 1HB TRP 16 -4.874 30.659 21.287 113 2HB TRP 16 2HB TRP 16 -3.208 30.129 21.055 114 HD1 TRP 16 HD1 TRP 16 -4.609 31.807 23.594 115 HE1 TRP 16 HE1 TRP 16 -3.335 33.891 24.418 116 HE3 TRP 16 HE3 TRP 16 -1.664 32.703 19.522 117 HZ2 TRP 16 HZ2 TRP 16 -1.329 35.699 23.473 118 HZ3 TRP 16 HZ3 TRP 16 -0.082 34.611 19.511 119 HH2 TRP 16 HH2 TRP 16 0.090 36.109 21.479 120 H ASP 17 H ASP 17 -1.599 30.499 19.805 121 HA ASP 17 HA ASP 17 -1.716 28.876 17.280 122 1HB ASP 17 1HB ASP 17 0.031 30.961 18.198 123 2HB ASP 17 2HB ASP 17 0.960 29.469 18.068 124 H MET 18 H MET 18 -0.809 26.771 17.389 125 HA MET 18 HA MET 18 -0.768 25.530 20.036 126 1HB MET 18 1HB MET 18 -0.258 24.603 17.196 127 2HB MET 18 2HB MET 18 -0.209 23.511 18.580 128 1HG MET 18 1HG MET 18 -2.575 24.745 19.047 129 2HG MET 18 2HG MET 18 -2.536 24.825 17.286 130 1HE MET 18 1HE MET 18 -1.690 23.110 15.924 131 2HE MET 18 2HE MET 18 -1.926 21.373 16.099 132 3HE MET 18 3HE MET 18 -3.307 22.429 15.771 133 H ASP 19 H ASP 19 1.627 26.504 17.613 134 HA ASP 19 HA ASP 19 3.849 25.283 19.133 135 1HB ASP 19 1HB ASP 19 5.157 26.174 17.216 136 2HB ASP 19 2HB ASP 19 3.762 25.243 16.670 137 H ASP 20 H ASP 20 2.634 28.534 18.307 138 HA ASP 20 HA ASP 20 4.764 29.903 19.768 139 1HB ASP 20 1HB ASP 20 2.567 30.474 17.972 140 2HB ASP 20 2HB ASP 20 2.548 31.600 19.330 141 H ASP 21 H ASP 21 1.313 30.532 20.274 142 HA ASP 21 HA ASP 21 1.493 31.202 23.001 143 1HB ASP 21 1HB ASP 21 -0.415 31.401 21.252 144 2HB ASP 21 2HB ASP 21 -0.868 29.778 21.774 145 H ASP 22 H ASP 22 1.629 28.065 21.524 146 HA ASP 22 HA ASP 22 1.589 25.883 22.463 147 1HB ASP 22 1HB ASP 22 3.492 27.617 23.593 148 2HB ASP 22 2HB ASP 22 2.798 26.750 24.962 149 H LEU 23 H LEU 23 -0.915 26.793 22.791 150 HA LEU 23 HA LEU 23 -2.118 27.407 25.176 151 1HB LEU 23 1HB LEU 23 -2.779 25.388 23.033 152 2HB LEU 23 2HB LEU 23 -3.885 25.665 24.378 153 HG LEU 23 HG LEU 23 -2.955 28.182 23.264 154 1HD1 LEU 23 1HD1 LEU 23 -3.528 26.064 21.373 155 2HD1 LEU 23 2HD1 LEU 23 -4.731 27.348 21.239 156 3HD1 LEU 23 3HD1 LEU 23 -3.017 27.722 21.058 157 1HD2 LEU 23 1HD2 LEU 23 -4.961 27.794 24.712 158 2HD2 LEU 23 2HD2 LEU 23 -5.351 28.636 23.212 159 3HD2 LEU 23 3HD2 LEU 23 -5.712 26.918 23.378 160 H PHE 24 H PHE 24 -0.599 24.307 24.381 161 HA PHE 24 HA PHE 24 -1.542 22.700 26.505 162 1HB PHE 24 1HB PHE 24 1.011 22.908 24.916 163 2HB PHE 24 2HB PHE 24 0.873 21.712 26.205 164 HD1 PHE 24 HD1 PHE 24 -1.316 20.245 26.173 165 HD2 PHE 24 HD2 PHE 24 0.226 22.376 22.777 166 HE1 PHE 24 HE1 PHE 24 -2.597 18.757 24.657 167 HE2 PHE 24 HE2 PHE 24 -1.056 20.889 21.262 168 HZ PHE 24 HZ PHE 24 -2.467 19.080 22.202 169 H GLU 25 H GLU 25 0.722 25.370 26.513 170 HA GLU 25 HA GLU 25 1.437 24.802 29.366 171 1HB GLU 25 1HB GLU 25 2.819 25.733 27.013 172 2HB GLU 25 2HB GLU 25 2.919 26.963 28.272 173 1HG GLU 25 1HG GLU 25 3.823 25.363 29.848 174 2HG GLU 25 2HG GLU 25 3.549 24.032 28.723 175 H LYS 26 H LYS 26 0.332 27.413 27.186 176 HA LYS 26 HA LYS 26 -0.028 29.386 29.255 177 1HB LYS 26 1HB LYS 26 -0.507 28.999 26.400 178 2HB LYS 26 2HB LYS 26 -1.790 29.942 27.157 179 1HG LYS 26 1HG LYS 26 -0.179 31.563 26.553 180 2HG LYS 26 2HG LYS 26 0.128 31.283 28.266 181 1HD LYS 26 1HD LYS 26 2.142 30.282 27.874 182 2HD LYS 26 2HD LYS 26 1.569 29.478 26.412 183 1HE LYS 26 1HE LYS 26 1.524 32.010 25.507 184 2HE LYS 26 2HE LYS 26 2.799 32.182 26.727 185 1HZ LYS 26 1HZ LYS 26 2.864 29.769 25.091 186 2HZ LYS 26 2HZ LYS 26 3.257 31.215 24.293 187 3HZ LYS 26 3HZ LYS 26 4.147 30.728 25.657 188 H ALA 27 H ALA 27 -1.945 26.677 28.179 189 HA ALA 27 HA ALA 27 -4.519 27.587 29.123 190 1HB ALA 27 1HB ALA 27 -4.057 25.744 27.488 191 2HB ALA 27 3HB ALA 27 -3.401 24.781 28.811 192 3HB ALA 27 2HB ALA 27 -5.106 25.232 28.809 193 H ALA 28 H ALA 28 -1.725 26.153 30.682 194 HA ALA 28 HA ALA 28 -3.033 25.180 33.057 195 1HB ALA 28 1HB ALA 28 -0.329 25.677 32.005 196 2HB ALA 28 3HB ALA 28 -0.443 25.831 33.758 197 3HB ALA 28 2HB ALA 28 -0.923 24.327 32.973 198 H ASP 29 H ASP 29 -1.886 28.344 32.049 199 HA ASP 29 HA ASP 29 -2.282 29.465 34.773 200 1HB ASP 29 1HB ASP 29 -1.202 30.499 32.138 201 2HB ASP 29 2HB ASP 29 -1.381 31.525 33.563 202 H ALA 30 H ALA 30 -4.337 28.627 32.429 203 HA ALA 30 HA ALA 30 -5.934 31.159 32.504 204 1HB ALA 30 1HB ALA 30 -6.384 28.745 30.744 205 2HB ALA 30 3HB ALA 30 -5.158 29.949 30.344 206 3HB ALA 30 2HB ALA 30 -6.855 30.419 30.446 207 H GLY 31 H GLY 31 -5.866 27.811 33.490 208 1HA GLY 31 2HA GLY 31 -8.257 28.204 35.127 209 2HA GLY 31 1HA GLY 31 -7.273 26.743 35.065 210 H LEU 32 H LEU 32 -7.466 26.703 32.069 211 HA LEU 32 HA LEU 32 -10.116 26.589 31.109 212 1HB LEU 32 1HB LEU 32 -7.459 25.722 30.381 213 2HB LEU 32 2HB LEU 32 -8.630 24.476 29.947 214 HG LEU 32 HG LEU 32 -9.816 26.942 29.240 215 1HD1 LEU 32 1HD1 LEU 32 -7.083 27.358 29.353 216 2HD1 LEU 32 2HD1 LEU 32 -7.342 26.929 27.661 217 3HD1 LEU 32 3HD1 LEU 32 -8.214 28.288 28.370 218 1HD2 LEU 32 1HD2 LEU 32 -9.525 24.452 28.180 219 2HD2 LEU 32 2HD2 LEU 32 -10.146 25.830 27.271 220 3HD2 LEU 32 3HD2 LEU 32 -8.448 25.374 27.131 221 H ASP 33 H ASP 33 -11.756 25.057 31.283 222 HA ASP 33 HA ASP 33 -12.001 23.326 33.463 223 1HB ASP 33 1HB ASP 33 -13.596 24.142 31.492 224 2HB ASP 33 2HB ASP 33 -13.183 22.567 30.815 225 H GLY 34 H GLY 34 -11.819 20.977 33.620 226 1HA GLY 34 2HA GLY 34 -10.492 19.038 33.459 227 2HA GLY 34 1HA GLY 34 -9.398 19.936 32.408 228 H GLU 35 H GLU 35 -12.818 19.732 31.692 229 HA GLU 35 HA GLU 35 -12.741 17.413 29.987 230 1HB GLU 35 1HB GLU 35 -14.716 18.630 31.079 231 2HB GLU 35 2HB GLU 35 -14.577 19.810 29.776 232 1HG GLU 35 2HG GLU 35 -16.163 18.265 28.955 233 2HG GLU 35 1HG GLU 35 -14.656 17.755 28.193 234 H ASP 36 H ASP 36 -11.332 20.463 29.606 235 HA ASP 36 HA ASP 36 -11.369 20.209 26.614 236 1HB ASP 36 1HB ASP 36 -11.339 22.521 28.549 237 2HB ASP 36 2HB ASP 36 -10.762 22.740 26.896 238 H TYR 37 H TYR 37 -9.337 21.311 29.357 239 HA TYR 37 HA TYR 37 -6.940 20.411 27.789 240 1HB TYR 37 1HB TYR 37 -6.938 22.786 27.758 241 2HB TYR 37 2HB TYR 37 -7.494 22.889 29.428 242 HD1 TYR 37 HD1 TYR 37 -4.718 21.040 27.697 243 HD2 TYR 37 HD2 TYR 37 -5.850 23.751 30.830 244 HE1 TYR 37 HE1 TYR 37 -2.365 21.122 28.475 245 HE2 TYR 37 HE2 TYR 37 -3.497 23.833 31.609 246 HH TYR 37 HH TYR 37 -1.093 23.366 30.246 247 H GLY 38 H GLY 38 -5.441 19.204 28.961 248 1HA GLY 38 2HA GLY 38 -6.287 18.138 31.539 249 2HA GLY 38 1HA GLY 38 -4.870 19.181 31.662 250 H THR 39 H THR 39 -3.933 17.002 32.397 251 HA THR 39 HA THR 39 -2.562 15.769 30.084 252 HB THR 39 HB THR 39 -2.240 15.228 33.048 253 HG1 THR 39 HG1 THR 39 -0.608 17.036 31.710 254 1HG2 THR 39 1HG2 THR 39 -0.874 14.426 30.602 255 2HG2 THR 39 2HG2 THR 39 0.223 15.214 31.738 256 3HG2 THR 39 3HG2 THR 39 -0.698 13.796 32.240 257 H MET 40 H MET 40 -3.281 13.866 29.220 258 HA MET 40 HA MET 40 -5.379 12.319 30.607 259 1HB MET 40 1HB MET 40 -4.967 13.019 28.040 260 2HB MET 40 2HB MET 40 -4.137 11.463 28.034 261 1HG MET 40 1HG MET 40 -6.912 11.767 29.188 262 2HG MET 40 2HG MET 40 -6.656 11.456 27.469 263 1HE MET 40 1HE MET 40 -6.496 9.771 26.474 264 2HE MET 40 2HE MET 40 -5.088 8.751 26.758 265 3HE MET 40 3HE MET 40 -6.703 8.112 27.050 266 H GLU 41 H GLU 41 -5.028 10.309 31.551 267 HA GLU 41 HA GLU 41 -2.203 9.323 31.598 268 1HB GLU 41 1HB GLU 41 -4.167 9.856 33.555 269 2HB GLU 41 2HB GLU 41 -4.026 8.100 33.489 270 1HG GLU 41 1HG GLU 41 -1.387 9.114 33.342 271 2HG GLU 41 2HG GLU 41 -2.193 10.015 34.625 272 H VAL 42 H VAL 42 -1.857 7.610 30.238 273 HA VAL 42 HA VAL 42 -4.141 5.758 29.664 274 HB VAL 42 HB VAL 42 -1.549 6.305 28.181 275 1HG1 VAL 42 1HG1 VAL 42 -3.768 4.365 27.843 276 2HG1 VAL 42 2HG1 VAL 42 -3.242 5.191 26.377 277 3HG1 VAL 42 3HG1 VAL 42 -2.087 4.253 27.324 278 1HG2 VAL 42 1HG2 VAL 42 -3.299 8.173 28.308 279 2HG2 VAL 42 2HG2 VAL 42 -2.835 7.652 26.688 280 3HG2 VAL 42 3HG2 VAL 42 -4.357 7.102 27.388 281 H ALA 43 H ALA 43 -4.012 3.865 30.802 282 HA ALA 43 HA ALA 43 -1.577 2.998 32.136 283 1HB ALA 43 1HB ALA 43 -4.255 2.649 32.469 284 2HB ALA 43 3HB ALA 43 -3.047 1.595 33.202 285 3HB ALA 43 2HB ALA 43 -3.835 1.121 31.696 286 H GLU 44 H GLU 44 0.018 1.737 31.249 287 HA GLU 44 HA GLU 44 0.285 1.007 28.583 288 1HB GLU 44 1HB GLU 44 2.070 0.856 30.235 289 2HB GLU 44 2HB GLU 44 1.208 -0.416 31.099 290 1HG GLU 44 1HG GLU 44 1.520 -1.973 29.323 291 2HG GLU 44 2HG GLU 44 2.013 -0.707 28.200 292 H GLY 45 H GLY 45 -1.091 -0.200 27.343 293 1HA GLY 45 2HA GLY 45 -2.183 -2.716 28.523 294 2HA GLY 45 1HA GLY 45 -1.916 -2.452 26.798 295 H GLU 46 H GLU 46 -3.107 0.404 27.923 296 HA GLU 46 HA GLU 46 -5.955 -0.429 27.485 297 1HB GLU 46 1HB GLU 46 -4.735 1.876 29.040 298 2HB GLU 46 2HB GLU 46 -6.464 1.569 28.885 299 1HG GLU 46 1HG GLU 46 -4.453 -0.362 30.083 300 2HG GLU 46 2HG GLU 46 -5.553 0.659 31.009 301 H TYR 47 H TYR 47 -7.001 0.520 25.766 302 HA TYR 47 HA TYR 47 -5.592 2.015 23.777 303 1HB TYR 47 1HB TYR 47 -8.557 1.706 24.357 304 2HB TYR 47 2HB TYR 47 -7.875 2.249 22.822 305 HD1 TYR 47 HD1 TYR 47 -5.712 0.587 22.170 306 HD2 TYR 47 HD2 TYR 47 -9.294 -0.499 24.277 307 HE1 TYR 47 HE1 TYR 47 -5.406 -1.774 21.474 308 HE2 TYR 47 HE2 TYR 47 -8.988 -2.860 23.581 309 HH TYR 47 HH TYR 47 -7.867 -4.206 22.088 310 H ILE 48 H ILE 48 -5.263 4.207 23.577 311 HA ILE 48 HA ILE 48 -5.482 6.074 25.616 312 HB ILE 48 HB ILE 48 -5.592 6.243 22.608 313 1HG1 ILE 48 1HG1 ILE 48 -3.475 7.466 24.319 314 2HG1 ILE 48 2HG1 ILE 48 -3.541 5.705 24.251 315 1HG2 ILE 48 1HG2 ILE 48 -5.773 8.497 24.612 316 2HG2 ILE 48 2HG2 ILE 48 -5.106 8.744 22.998 317 3HG2 ILE 48 3HG2 ILE 48 -6.778 8.218 23.190 318 1HD1 ILE 48 1HD1 ILE 48 -3.496 5.834 21.762 319 2HD1 ILE 48 2HD1 ILE 48 -3.334 7.587 21.879 320 3HD1 ILE 48 3HD1 ILE 48 -2.055 6.539 22.494 321 H LEU 49 H LEU 49 -7.808 6.017 22.878 322 HA LEU 49 HA LEU 49 -9.753 7.723 23.888 323 1HB LEU 49 1HB LEU 49 -9.949 6.826 21.690 324 2HB LEU 49 2HB LEU 49 -9.905 5.165 22.282 325 HG LEU 49 HG LEU 49 -12.074 6.689 23.496 326 1HD1 LEU 49 1HD1 LEU 49 -11.663 7.573 20.982 327 2HD1 LEU 49 2HD1 LEU 49 -12.613 6.132 20.622 328 3HD1 LEU 49 3HD1 LEU 49 -13.276 7.388 21.668 329 1HD2 LEU 49 1HD2 LEU 49 -11.446 4.044 22.602 330 2HD2 LEU 49 2HD2 LEU 49 -12.812 4.565 23.588 331 3HD2 LEU 49 3HD2 LEU 49 -12.951 4.541 21.830 332 H GLU 50 H GLU 50 -9.101 4.390 24.859 333 HA GLU 50 HA GLU 50 -11.532 4.133 26.469 334 1HB GLU 50 1HB GLU 50 -10.364 2.243 25.370 335 2HB GLU 50 2HB GLU 50 -8.944 2.543 26.371 336 1HG GLU 50 1HG GLU 50 -9.861 1.499 28.160 337 2HG GLU 50 2HG GLU 50 -11.412 2.309 27.936 338 H ALA 51 H ALA 51 -8.046 4.588 27.177 339 HA ALA 51 HA ALA 51 -8.220 4.674 30.001 340 1HB ALA 51 1HB ALA 51 -6.373 6.501 28.522 341 2HB ALA 51 2HB ALA 51 -6.253 4.773 28.196 342 3HB ALA 51 3HB ALA 51 -6.017 5.380 29.835 343 H ALA 52 H ALA 52 -8.584 7.276 27.616 344 HA ALA 52 HA ALA 52 -9.059 9.337 29.631 345 1HB ALA 52 1HB ALA 52 -8.450 9.131 26.882 346 2HB ALA 52 3HB ALA 52 -10.015 9.939 26.965 347 3HB ALA 52 2HB ALA 52 -8.628 10.616 27.818 348 H GLU 53 H GLU 53 -11.020 7.106 27.767 349 HA GLU 53 HA GLU 53 -13.553 8.409 27.983 350 1HB GLU 53 1HB GLU 53 -12.450 5.706 27.450 351 2HB GLU 53 2HB GLU 53 -14.133 5.749 27.977 352 1HG GLU 53 1HG GLU 53 -13.294 7.708 25.885 353 2HG GLU 53 2HG GLU 53 -13.457 6.021 25.399 354 H ALA 54 H ALA 54 -11.792 6.259 30.166 355 HA ALA 54 HA ALA 54 -13.966 6.020 32.095 356 1HB ALA 54 1HB ALA 54 -11.220 5.576 33.032 357 2HB ALA 54 3HB ALA 54 -11.562 4.757 31.508 358 3HB ALA 54 2HB ALA 54 -12.562 4.435 32.924 359 H GLN 55 H GLN 55 -11.914 8.557 31.277 360 HA GLN 55 HA GLN 55 -11.779 9.639 34.055 361 1HB GLN 55 1HB GLN 55 -10.495 10.400 31.413 362 2HB GLN 55 2HB GLN 55 -10.233 11.278 32.920 363 1HG GLN 55 1HG GLN 55 -9.798 8.630 33.638 364 2HG GLN 55 2HG GLN 55 -9.092 8.734 32.026 365 2HE2 GLN 55 2HE2 GLN 55 -8.610 9.554 35.349 366 1HE2 GLN 55 1HE2 GLN 55 -7.216 10.499 35.140 367 H GLY 56 H GLY 56 -13.376 10.076 30.976 368 1HA GLY 56 2HA GLY 56 -14.704 12.527 32.069 369 2HA GLY 56 1HA GLY 56 -15.567 11.306 31.133 370 H TYR 57 H TYR 57 -13.118 11.022 29.357 371 HA TYR 57 HA TYR 57 -13.190 13.640 27.927 372 1HB TYR 57 1HB TYR 57 -11.417 11.182 27.772 373 2HB TYR 57 2HB TYR 57 -11.225 12.596 26.734 374 HD1 TYR 57 HD1 TYR 57 -11.750 14.843 28.508 375 HD2 TYR 57 HD2 TYR 57 -9.639 11.185 29.295 376 HE1 TYR 57 HE1 TYR 57 -10.456 15.975 30.296 377 HE2 TYR 57 HE2 TYR 57 -8.345 12.317 31.082 378 HH TYR 57 HH TYR 57 -9.179 15.477 32.233 379 H ASP 58 H ASP 58 -15.060 13.576 26.649 380 HA ASP 58 HA ASP 58 -15.770 11.121 25.168 381 1HB ASP 58 1HB ASP 58 -17.760 12.404 24.615 382 2HB ASP 58 2HB ASP 58 -17.397 12.661 26.321 383 H TRP 59 H TRP 59 -14.648 10.741 23.292 384 HA TRP 59 HA TRP 59 -13.727 13.063 21.657 385 1HB TRP 59 2HB TRP 59 -13.082 10.099 21.503 386 2HB TRP 59 1HB TRP 59 -12.235 11.396 20.659 387 HD1 TRP 59 HD1 TRP 59 -13.001 10.261 24.270 388 HE1 TRP 59 HE1 TRP 59 -11.049 11.009 25.777 389 HE3 TRP 59 HE3 TRP 59 -10.202 12.846 20.871 390 HZ2 TRP 59 HZ2 TRP 59 -8.617 12.504 25.570 391 HZ3 TRP 59 HZ3 TRP 59 -8.074 13.920 21.550 392 HH2 TRP 59 HH2 TRP 59 -7.278 13.752 23.893 393 HA PRO 60 HA PRO 60 -16.984 12.217 18.795 394 1HB PRO 60 1HB PRO 60 -15.992 13.632 16.671 395 2HB PRO 60 2HB PRO 60 -16.737 14.402 18.084 396 1HG PRO 60 1HG PRO 60 -13.859 14.061 17.402 397 2HG PRO 60 2HG PRO 60 -14.682 15.435 18.154 398 1HD PRO 60 1HD PRO 60 -13.205 13.592 19.539 399 2HD PRO 60 2HD PRO 60 -14.536 14.527 20.250 400 H PHE 61 H PHE 61 -16.049 9.895 18.823 401 HA PHE 61 HA PHE 61 -14.430 9.268 16.398 402 1HB PHE 61 1HB PHE 61 -14.308 7.021 17.568 403 2HB PHE 61 2HB PHE 61 -13.634 8.363 18.493 404 HD1 PHE 61 HD1 PHE 61 -16.884 6.561 17.962 405 HD2 PHE 61 HD2 PHE 61 -14.339 8.684 20.695 406 HE1 PHE 61 HE1 PHE 61 -18.472 6.089 19.807 407 HE2 PHE 61 HE2 PHE 61 -15.927 8.211 22.541 408 HZ PHE 61 HZ PHE 61 -17.994 6.914 22.097 409 H SER 62 H SER 62 -15.173 7.551 14.966 410 HA SER 62 HA SER 62 -17.846 6.421 15.194 411 1HB SER 62 1HB SER 62 -17.790 9.034 14.435 412 2HB SER 62 2HB SER 62 -17.647 8.250 12.861 413 HG SER 62 HG SER 62 -19.635 7.743 14.819 414 H CYS 63 H CYS 63 -16.358 4.575 14.758 415 HA CYS 63 HA CYS 63 -15.016 4.434 12.151 416 1HB CYS 63 2HB CYS 63 -15.552 2.135 14.030 417 2HB CYS 63 1HB CYS 63 -14.150 2.405 12.998 418 H ARG 64 H ARG 64 -18.176 4.423 12.795 419 HA ARG 64 HA ARG 64 -19.321 2.038 11.831 420 1HB ARG 64 2HB ARG 64 -21.237 3.456 11.349 421 2HB ARG 64 1HB ARG 64 -20.443 4.083 12.794 422 1HG ARG 64 1HG ARG 64 -19.280 5.773 11.449 423 2HG ARG 64 2HG ARG 64 -20.001 5.122 9.977 424 1HD ARG 64 1HD ARG 64 -21.252 7.117 10.790 425 2HD ARG 64 2HD ARG 64 -22.264 5.662 10.869 426 HE ARG 64 HE ARG 64 -20.677 6.264 13.288 427 1HH1 ARG 64 1HH1 ARG 64 -23.388 7.553 11.772 428 2HH1 ARG 64 2HH1 ARG 64 -24.465 7.306 13.105 429 1HH2 ARG 64 1HH2 ARG 64 -22.183 5.461 14.951 430 2HH2 ARG 64 2HH2 ARG 64 -23.782 6.124 14.907 431 H ALA 65 H ALA 65 -17.617 4.562 10.088 432 HA ALA 65 HA ALA 65 -18.555 3.857 7.435 433 1HB ALA 65 1HB ALA 65 -16.407 5.512 8.705 434 2HB ALA 65 3HB ALA 65 -17.677 6.002 7.583 435 3HB ALA 65 2HB ALA 65 -16.257 5.142 6.987 436 H GLY 66 H GLY 66 -17.722 2.312 6.041 437 1HA GLY 66 2HA GLY 66 -16.254 0.661 5.205 438 2HA GLY 66 1HA GLY 66 -16.343 0.059 6.861 439 H ALA 67 H ALA 67 -14.338 -0.248 7.684 440 HA ALA 67 HA ALA 67 -12.081 0.175 8.247 441 1HB ALA 67 1HB ALA 67 -12.465 0.118 5.488 442 2HB ALA 67 2HB ALA 67 -10.909 0.024 6.311 443 3HB ALA 67 3HB ALA 67 -11.513 1.581 5.742 444 H CYS 68 H CYS 68 -12.384 1.788 9.881 445 HA CYS 68 HA CYS 68 -13.052 4.502 9.519 446 1HB CYS 68 1HB CYS 68 -12.555 2.931 11.610 447 2HB CYS 68 2HB CYS 68 -10.965 3.690 11.512 448 H ALA 69 H ALA 69 -11.941 6.239 8.685 449 HA ALA 69 HA ALA 69 -9.199 5.774 7.642 450 1HB ALA 69 1HB ALA 69 -10.914 6.678 6.159 451 2HB ALA 69 3HB ALA 69 -11.256 7.979 7.299 452 3HB ALA 69 2HB ALA 69 -9.707 7.928 6.459 453 H ASN 70 H ASN 70 -10.816 8.562 9.224 454 HA ASN 70 HA ASN 70 -8.326 8.940 10.858 455 1HB ASN 70 1HB ASN 70 -8.479 11.293 10.408 456 2HB ASN 70 2HB ASN 70 -8.698 10.486 8.856 457 2HD2 ASN 70 2HD2 ASN 70 -9.737 13.079 9.157 458 1HD2 ASN 70 1HD2 ASN 70 -11.432 13.011 9.220 459 H CYS 71 H CYS 71 -8.747 10.164 12.898 460 HA CYS 71 HA CYS 71 -11.457 9.517 13.978 461 1HB CYS 71 1HB CYS 71 -8.816 10.123 15.348 462 2HB CYS 71 2HB CYS 71 -10.283 9.549 16.142 463 H ALA 72 H ALA 72 -9.546 11.762 15.773 464 HA ALA 72 HA ALA 72 -10.367 14.232 14.572 465 1HB ALA 72 1HB ALA 72 -12.429 12.733 15.736 466 2HB ALA 72 3HB ALA 72 -12.058 13.978 16.929 467 3HB ALA 72 2HB ALA 72 -12.505 14.437 15.286 468 H SER 73 H SER 73 -7.965 13.822 15.588 469 HA SER 73 HA SER 73 -7.916 15.478 18.049 470 1HB SER 73 2HB SER 73 -6.065 13.290 18.351 471 2HB SER 73 1HB SER 73 -7.413 13.737 19.395 472 HG SER 73 HG SER 73 -7.411 12.032 17.145 473 H ILE 74 H ILE 74 -6.392 17.030 17.667 474 HA ILE 74 HA ILE 74 -4.407 16.668 15.521 475 HB ILE 74 HB ILE 74 -4.915 18.968 17.434 476 1HG1 ILE 74 2HG1 ILE 74 -6.986 18.514 16.308 477 2HG1 ILE 74 1HG1 ILE 74 -6.243 19.870 15.459 478 1HG2 ILE 74 1HG2 ILE 74 -2.751 18.868 16.055 479 2HG2 ILE 74 2HG2 ILE 74 -3.779 19.052 14.634 480 3HG2 ILE 74 3HG2 ILE 74 -3.738 20.316 15.862 481 1HD1 ILE 74 1HD1 ILE 74 -5.300 18.271 13.798 482 2HD1 ILE 74 2HD1 ILE 74 -6.140 16.956 14.620 483 3HD1 ILE 74 3HD1 ILE 74 -7.063 18.236 13.833 484 H VAL 75 H VAL 75 -3.207 14.915 16.734 485 HA VAL 75 HA VAL 75 -1.962 15.178 19.241 486 HB VAL 75 HB VAL 75 -1.948 13.168 17.819 487 1HG1 VAL 75 1HG1 VAL 75 -1.258 14.895 15.801 488 2HG1 VAL 75 2HG1 VAL 75 0.281 14.102 16.131 489 3HG1 VAL 75 3HG1 VAL 75 -1.131 13.139 15.697 490 1HG2 VAL 75 1HG2 VAL 75 0.468 14.333 19.026 491 2HG2 VAL 75 2HG2 VAL 75 -0.226 12.724 19.229 492 3HG2 VAL 75 3HG2 VAL 75 0.806 13.070 17.842 493 H LYS 76 H LYS 76 -0.832 16.992 19.904 494 HA LYS 76 HA LYS 76 0.654 18.641 17.981 495 1HB LYS 76 1HB LYS 76 -0.672 19.065 20.327 496 2HB LYS 76 2HB LYS 76 0.995 19.015 20.900 497 1HG LYS 76 1HG LYS 76 -0.168 20.834 18.776 498 2HG LYS 76 2HG LYS 76 0.529 21.305 20.326 499 1HD LYS 76 1HD LYS 76 2.710 20.270 19.530 500 2HD LYS 76 2HD LYS 76 1.971 20.129 17.935 501 1HE LYS 76 1HE LYS 76 2.019 22.413 17.567 502 2HE LYS 76 2HE LYS 76 1.823 22.796 19.288 503 1HZ LYS 76 1HZ LYS 76 4.234 21.413 18.266 504 2HZ LYS 76 2HZ LYS 76 4.136 23.108 18.274 505 3HZ LYS 76 3HZ LYS 76 4.038 22.244 19.734 506 H GLU 77 H GLU 77 1.378 15.876 19.882 507 HA GLU 77 HA GLU 77 4.112 15.764 19.001 508 1HB GLU 77 1HB GLU 77 3.837 17.690 20.822 509 2HB GLU 77 2HB GLU 77 3.960 16.330 21.939 510 1HG GLU 77 1HG GLU 77 5.973 15.882 20.036 511 2HG GLU 77 2HG GLU 77 6.046 17.612 20.374 512 H GLY 78 H GLY 78 5.250 13.882 19.975 513 1HA GLY 78 2HA GLY 78 3.727 12.147 21.788 514 2HA GLY 78 1HA GLY 78 5.328 11.807 21.128 515 H GLU 79 H GLU 79 4.473 9.627 20.658 516 HA GLU 79 HA GLU 79 2.628 9.564 18.295 517 1HB GLU 79 1HB GLU 79 4.892 9.380 17.482 518 2HB GLU 79 2HB GLU 79 5.307 8.216 18.739 519 1HG GLU 79 1HG GLU 79 4.103 6.490 17.721 520 2HG GLU 79 2HG GLU 79 3.064 7.605 16.834 521 H ILE 80 H ILE 80 1.610 7.400 18.013 522 HA ILE 80 HA ILE 80 1.428 5.899 20.606 523 HB ILE 80 HB ILE 80 -0.662 6.499 18.487 524 1HG1 ILE 80 1HG1 ILE 80 -1.680 7.639 20.619 525 2HG1 ILE 80 2HG1 ILE 80 -0.015 7.622 21.200 526 1HG2 ILE 80 1HG2 ILE 80 -0.876 4.259 19.640 527 2HG2 ILE 80 2HG2 ILE 80 -1.010 5.128 21.167 528 3HG2 ILE 80 3HG2 ILE 80 -2.233 5.349 19.916 529 1HD1 ILE 80 1HD1 ILE 80 -0.101 8.523 18.454 530 2HD1 ILE 80 2HD1 ILE 80 -1.186 9.498 19.446 531 3HD1 ILE 80 3HD1 ILE 80 0.520 9.363 19.874 532 H ASP 81 H ASP 81 0.865 3.570 20.314 533 HA ASP 81 HA ASP 81 1.882 2.501 17.699 534 1HB ASP 81 1HB ASP 81 3.065 2.330 20.136 535 2HB ASP 81 2HB ASP 81 2.056 0.885 20.187 536 H MET 82 H MET 82 0.367 1.315 16.614 537 HA MET 82 HA MET 82 -1.813 -0.003 18.204 538 1HB MET 82 1HB MET 82 -3.188 0.491 16.112 539 2HB MET 82 2HB MET 82 -2.704 1.908 17.042 540 1HG MET 82 1HG MET 82 -0.703 1.111 15.052 541 2HG MET 82 2HG MET 82 -2.256 1.536 14.331 542 1HE MET 82 1HE MET 82 -1.500 3.123 13.091 543 2HE MET 82 2HE MET 82 -2.618 4.334 13.713 544 3HE MET 82 3HE MET 82 -0.917 4.741 13.501 545 H ASP 83 H ASP 83 -2.930 -1.688 16.543 546 HA ASP 83 HA ASP 83 -1.190 -3.846 16.126 547 1HB ASP 83 1HB ASP 83 -3.872 -2.968 15.280 548 2HB ASP 83 2HB ASP 83 -3.130 -4.134 14.184 549 H MET 84 H MET 84 -0.145 -4.667 14.203 550 HA MET 84 HA MET 84 1.230 -2.741 12.601 551 1HB MET 84 1HB MET 84 0.680 -5.696 12.169 552 2HB MET 84 2HB MET 84 1.949 -4.772 11.365 553 1HG MET 84 1HG MET 84 3.083 -4.367 13.443 554 2HG MET 84 2HG MET 84 1.722 -4.987 14.378 555 1HE MET 84 1HE MET 84 0.983 -6.876 14.687 556 2HE MET 84 2HE MET 84 1.164 -8.296 13.661 557 3HE MET 84 3HE MET 84 2.127 -8.137 15.136 558 H GLN 85 H GLN 85 -0.360 -1.371 11.586 559 HA GLN 85 HA GLN 85 -1.501 -2.506 9.108 560 1HB GLN 85 1HB GLN 85 -3.033 -1.711 11.547 561 2HB GLN 85 2HB GLN 85 -3.732 -1.297 9.982 562 1HG GLN 85 1HG GLN 85 -3.332 -3.725 9.308 563 2HG GLN 85 2HG GLN 85 -2.977 -4.044 11.006 564 2HE2 GLN 85 2HE2 GLN 85 -5.539 -2.390 9.055 565 1HE2 GLN 85 1HE2 GLN 85 -6.826 -2.947 10.012 566 H GLN 86 H GLN 86 -2.950 -0.482 8.150 567 HA GLN 86 HA GLN 86 -1.444 2.053 8.647 568 1HB GLN 86 1HB GLN 86 -1.806 0.481 6.096 569 2HB GLN 86 2HB GLN 86 -1.484 2.214 6.051 570 1HG GLN 86 1HG GLN 86 0.605 1.942 7.201 571 2HG GLN 86 2HG GLN 86 0.240 0.261 7.594 572 2HE2 GLN 86 2HE2 GLN 86 1.946 2.180 5.410 573 1HE2 GLN 86 1HE2 GLN 86 2.089 1.064 4.140 574 H ILE 87 H ILE 87 -3.476 2.738 9.696 575 HA ILE 87 HA ILE 87 -5.866 2.958 7.941 576 HB ILE 87 HB ILE 87 -5.424 3.742 10.839 577 1HG1 ILE 87 1HG1 ILE 87 -4.925 1.317 10.302 578 2HG1 ILE 87 2HG1 ILE 87 -6.246 1.559 11.445 579 1HG2 ILE 87 1HG2 ILE 87 -7.812 3.453 9.036 580 2HG2 ILE 87 2HG2 ILE 87 -7.987 3.166 10.767 581 3HG2 ILE 87 3HG2 ILE 87 -7.437 4.737 10.185 582 1HD1 ILE 87 1HD1 ILE 87 -7.862 1.379 9.545 583 2HD1 ILE 87 2HD1 ILE 87 -6.511 1.011 8.473 584 3HD1 ILE 87 3HD1 ILE 87 -6.923 -0.094 9.784 585 H LEU 88 H LEU 88 -3.116 4.760 8.645 586 HA LEU 88 HA LEU 88 -4.368 7.220 7.563 587 1HB LEU 88 1HB LEU 88 -3.351 8.503 9.506 588 2HB LEU 88 2HB LEU 88 -4.701 7.456 9.943 589 HG LEU 88 HG LEU 88 -2.342 5.872 10.073 590 1HD1 LEU 88 1HD1 LEU 88 -2.006 8.683 10.991 591 2HD1 LEU 88 2HD1 LEU 88 -1.431 7.423 12.084 592 3HD1 LEU 88 3HD1 LEU 88 -0.793 7.526 10.444 593 1HD2 LEU 88 1HD2 LEU 88 -4.660 6.285 11.508 594 2HD2 LEU 88 2HD2 LEU 88 -3.333 5.241 12.016 595 3HD2 LEU 88 3HD2 LEU 88 -3.427 6.899 12.608 596 H SER 89 H SER 89 -2.653 8.838 6.987 597 HA SER 89 HA SER 89 -0.118 7.444 6.232 598 1HB SER 89 1HB SER 89 -1.681 9.817 5.202 599 2HB SER 89 2HB SER 89 -0.027 9.508 4.675 600 HG SER 89 HG SER 89 -2.068 7.555 4.578 601 H ASP 90 H ASP 90 1.910 8.649 6.494 602 HA ASP 90 HA ASP 90 2.248 9.898 9.032 603 1HB ASP 90 1HB ASP 90 3.830 9.651 6.486 604 2HB ASP 90 2HB ASP 90 4.455 10.636 7.810 605 H GLU 91 H GLU 91 2.089 11.329 5.768 606 HA GLU 91 HA GLU 91 2.456 14.044 6.444 607 1HB GLU 91 1HB GLU 91 1.203 12.438 4.293 608 2HB GLU 91 2HB GLU 91 0.643 14.107 4.398 609 1HG GLU 91 1HG GLU 91 3.585 13.600 4.571 610 2HG GLU 91 2HG GLU 91 2.813 13.466 2.991 611 H GLU 92 H GLU 92 -0.206 11.925 7.106 612 HA GLU 92 HA GLU 92 -2.253 13.961 7.450 613 1HB GLU 92 1HB GLU 92 -2.122 11.223 7.245 614 2HB GLU 92 2HB GLU 92 -2.438 11.433 8.967 615 1HG GLU 92 1HG GLU 92 -4.124 13.269 7.638 616 2HG GLU 92 2HG GLU 92 -4.252 11.755 6.741 617 H VAL 93 H VAL 93 -0.090 12.184 9.673 618 HA VAL 93 HA VAL 93 -1.062 13.628 12.028 619 HB VAL 93 HB VAL 93 1.455 11.976 11.684 620 1HG1 VAL 93 1HG1 VAL 93 1.097 13.213 13.833 621 2HG1 VAL 93 2HG1 VAL 93 -0.423 12.341 14.039 622 3HG1 VAL 93 3HG1 VAL 93 1.106 11.462 14.041 623 1HG2 VAL 93 1HG2 VAL 93 -1.435 11.135 11.928 624 2HG2 VAL 93 2HG2 VAL 93 -0.228 10.580 10.768 625 3HG2 VAL 93 3HG2 VAL 93 -0.122 10.082 12.456 626 H GLU 94 H GLU 94 1.181 14.260 9.520 627 HA GLU 94 HA GLU 94 2.768 16.159 11.186 628 1HB GLU 94 1HB GLU 94 3.577 14.342 9.416 629 2HB GLU 94 2HB GLU 94 3.220 15.633 8.269 630 1HG GLU 94 1HG GLU 94 4.903 16.994 9.065 631 2HG GLU 94 2HG GLU 94 4.790 16.351 10.704 632 H GLU 95 H GLU 95 0.447 16.008 8.539 633 HA GLU 95 HA GLU 95 0.662 18.915 8.012 634 1HB GLU 95 1HB GLU 95 0.386 17.058 6.276 635 2HB GLU 95 2HB GLU 95 -1.264 16.874 6.871 636 1HG GLU 95 2HG GLU 95 -1.907 18.595 5.572 637 2HG GLU 95 1HG GLU 95 -0.815 19.656 6.460 638 H LYS 96 H LYS 96 -1.711 16.562 9.272 639 HA LYS 96 HA LYS 96 -3.341 18.869 10.281 640 1HB LYS 96 1HB LYS 96 -4.119 17.007 8.544 641 2HB LYS 96 2HB LYS 96 -4.381 16.071 10.015 642 1HG LYS 96 1HG LYS 96 -6.001 17.558 10.826 643 2HG LYS 96 2HG LYS 96 -5.422 18.887 9.821 644 1HD LYS 96 1HD LYS 96 -6.584 18.174 7.973 645 2HD LYS 96 2HD LYS 96 -6.401 16.470 8.389 646 1HE LYS 96 1HE LYS 96 -7.996 17.165 10.421 647 2HE LYS 96 2HE LYS 96 -8.494 18.421 9.271 648 1HZ LYS 96 1HZ LYS 96 -8.238 15.548 8.554 649 2HZ LYS 96 2HZ LYS 96 -9.704 16.249 9.046 650 3HZ LYS 96 3HZ LYS 96 -8.942 16.784 7.626 651 H ASP 97 H ASP 97 -1.394 16.184 11.187 652 HA ASP 97 HA ASP 97 -0.846 15.315 13.320 653 1HB ASP 97 2HB ASP 97 -2.458 17.533 14.552 654 2HB ASP 97 1HB ASP 97 -0.885 16.901 15.036 655 H VAL 98 H VAL 98 -3.505 14.732 11.937 656 HA VAL 98 HA VAL 98 -5.483 14.414 14.042 657 HB VAL 98 HB VAL 98 -5.161 13.240 11.260 658 1HG1 VAL 98 1HG1 VAL 98 -7.067 12.684 13.371 659 2HG1 VAL 98 2HG1 VAL 98 -7.879 13.398 11.977 660 3HG1 VAL 98 3HG1 VAL 98 -6.919 11.931 11.783 661 1HG2 VAL 98 1HG2 VAL 98 -5.374 15.803 11.671 662 2HG2 VAL 98 2HG2 VAL 98 -6.449 15.054 10.490 663 3HG2 VAL 98 3HG2 VAL 98 -7.044 15.437 12.105 664 H ARG 99 H ARG 99 -5.678 12.723 15.451 665 HA ARG 99 HA ARG 99 -5.053 9.996 14.915 666 1HB ARG 99 1HB ARG 99 -2.787 11.555 15.087 667 2HB ARG 99 2HB ARG 99 -2.937 10.947 16.737 668 1HG ARG 99 1HG ARG 99 -2.361 8.849 16.117 669 2HG ARG 99 2HG ARG 99 -3.448 8.879 14.729 670 1HD ARG 99 2HD ARG 99 -1.624 9.091 13.396 671 2HD ARG 99 1HD ARG 99 -1.331 10.680 14.131 672 HE ARG 99 HE ARG 99 -0.114 9.384 15.973 673 1HH1 ARG 99 1HH1 ARG 99 -1.090 6.947 14.064 674 2HH1 ARG 99 2HH1 ARG 99 0.477 6.379 13.594 675 1HH2 ARG 99 1HH2 ARG 99 2.145 9.156 14.831 676 2HH2 ARG 99 2HH2 ARG 99 2.309 7.631 14.029 677 H LEU 100 H LEU 100 -6.938 9.655 16.188 678 HA LEU 100 HA LEU 100 -6.969 10.649 18.987 679 1HB LEU 100 1HB LEU 100 -8.882 10.595 17.167 680 2HB LEU 100 2HB LEU 100 -9.068 8.924 17.700 681 HG LEU 100 HG LEU 100 -8.960 11.190 19.690 682 1HD1 LEU 100 1HD1 LEU 100 -10.927 10.922 17.700 683 2HD1 LEU 100 2HD1 LEU 100 -11.639 10.212 19.149 684 3HD1 LEU 100 3HD1 LEU 100 -11.048 11.873 19.180 685 1HD2 LEU 100 1HD2 LEU 100 -9.502 8.290 19.681 686 2HD2 LEU 100 2HD2 LEU 100 -8.944 9.326 20.995 687 3HD2 LEU 100 3HD2 LEU 100 -10.663 9.241 20.607 688 H THR 101 H THR 101 -5.930 7.900 17.292 689 HA THR 101 HA THR 101 -5.485 5.666 17.960 690 HB THR 101 HB THR 101 -4.250 5.661 20.063 691 HG1 THR 101 HG1 THR 101 -5.098 8.274 20.599 692 1HG2 THR 101 1HG2 THR 101 -3.983 7.842 18.107 693 2HG2 THR 101 2HG2 THR 101 -3.199 8.165 19.652 694 3HG2 THR 101 3HG2 THR 101 -2.763 6.728 18.726 695 H CYS 102 H CYS 102 -7.892 5.177 17.797 696 HA CYS 102 HA CYS 102 -9.405 5.100 20.326 697 1HB CYS 102 1HB CYS 102 -10.008 4.022 17.551 698 2HB CYS 102 2HB CYS 102 -11.179 4.263 18.848 699 H ILE 103 H ILE 103 -7.230 3.066 18.622 700 HA ILE 103 HA ILE 103 -7.852 0.826 20.484 701 HB ILE 103 HB ILE 103 -7.589 0.557 17.472 702 1HG1 ILE 103 1HG1 ILE 103 -10.020 0.540 19.282 703 2HG1 ILE 103 2HG1 ILE 103 -9.679 1.672 17.974 704 1HG2 ILE 103 1HG2 ILE 103 -7.063 -1.326 19.353 705 2HG2 ILE 103 2HG2 ILE 103 -8.802 -1.555 19.168 706 3HG2 ILE 103 3HG2 ILE 103 -7.739 -1.708 17.770 707 1HD1 ILE 103 1HD1 ILE 103 -9.630 -0.374 16.427 708 2HD1 ILE 103 2HD1 ILE 103 -10.350 -1.268 17.765 709 3HD1 ILE 103 3HD1 ILE 103 -11.210 0.097 17.052 710 H GLY 104 H GLY 104 -5.674 2.367 20.899 711 1HA GLY 104 2HA GLY 104 -3.304 2.101 19.535 712 2HA GLY 104 1HA GLY 104 -3.462 0.540 20.341 713 H SER 105 H SER 105 -1.470 1.267 21.512 714 HA SER 105 HA SER 105 -2.231 2.845 23.934 715 1HB SER 105 1HB SER 105 -1.158 1.173 25.011 716 2HB SER 105 2HB SER 105 -0.950 0.370 23.456 717 HG SER 105 HG SER 105 0.860 1.715 24.993 718 HA PRO 106 HA PRO 106 0.562 6.029 22.744 719 1HB PRO 106 1HB PRO 106 1.140 7.074 25.205 720 2HB PRO 106 2HB PRO 106 -0.422 7.311 24.398 721 1HG PRO 106 2HG PRO 106 0.319 5.464 26.605 722 2HG PRO 106 1HG PRO 106 -1.192 6.338 26.324 723 1HD PRO 106 1HD PRO 106 -0.792 3.660 25.779 724 2HD PRO 106 2HD PRO 106 -2.046 4.669 25.030 725 H ALA 107 H ALA 107 2.739 5.955 22.259 726 HA ALA 107 HA ALA 107 4.462 4.086 23.802 727 1HB ALA 107 1HB ALA 107 4.590 5.468 21.119 728 2HB ALA 107 3HB ALA 107 4.483 3.739 21.449 729 3HB ALA 107 2HB ALA 107 5.981 4.609 21.781 730 H ALA 108 H ALA 108 4.409 7.468 22.688 731 HA ALA 108 HA ALA 108 6.905 8.204 23.956 732 1HB ALA 108 1HB ALA 108 6.112 9.494 22.119 733 2HB ALA 108 3HB ALA 108 5.880 10.533 23.525 734 3HB ALA 108 2HB ALA 108 4.509 9.665 22.835 735 H ASP 109 H ASP 109 7.250 8.943 26.041 736 HA ASP 109 HA ASP 109 5.381 8.439 28.131 737 1HB ASP 109 1HB ASP 109 7.033 9.896 29.418 738 2HB ASP 109 2HB ASP 109 7.752 8.551 28.532 739 H GLU 110 H GLU 110 6.078 11.378 26.268 740 HA GLU 110 HA GLU 110 3.726 12.683 27.602 741 1HB GLU 110 1HB GLU 110 6.450 13.711 26.786 742 2HB GLU 110 2HB GLU 110 5.099 14.810 27.068 743 1HG GLU 110 1HG GLU 110 4.983 14.295 29.342 744 2HG GLU 110 2HG GLU 110 5.750 12.722 29.127 745 H VAL 111 H VAL 111 2.144 12.541 26.021 746 HA VAL 111 HA VAL 111 2.918 13.287 23.219 747 HB VAL 111 HB VAL 111 0.684 11.536 24.296 748 1HG1 VAL 111 1HG1 VAL 111 0.213 12.782 22.140 749 2HG1 VAL 111 2HG1 VAL 111 1.585 11.929 21.430 750 3HG1 VAL 111 3HG1 VAL 111 0.181 11.024 21.995 751 1HG2 VAL 111 1HG2 VAL 111 3.294 10.875 24.214 752 2HG2 VAL 111 2HG2 VAL 111 2.013 9.710 23.878 753 3HG2 VAL 111 3HG2 VAL 111 2.859 10.500 22.547 754 H LYS 112 H LYS 112 2.116 15.250 22.606 755 HA LYS 112 HA LYS 112 -0.099 16.487 24.143 756 1HB LYS 112 1HB LYS 112 1.606 17.532 21.858 757 2HB LYS 112 2HB LYS 112 0.615 18.497 22.951 758 1HG LYS 112 1HG LYS 112 2.005 17.799 24.854 759 2HG LYS 112 2HG LYS 112 2.977 16.785 23.788 760 1HD LYS 112 1HD LYS 112 4.124 18.562 22.936 761 2HD LYS 112 2HD LYS 112 2.697 19.599 22.922 762 1HE LYS 112 1HE LYS 112 2.935 20.113 25.256 763 2HE LYS 112 2HE LYS 112 4.133 18.826 25.484 764 1HZ LYS 112 1HZ LYS 112 5.113 20.289 23.399 765 2HZ LYS 112 2HZ LYS 112 4.483 21.479 24.433 766 3HZ LYS 112 3HZ LYS 112 5.648 20.386 25.007 767 H ILE 113 H ILE 113 -2.144 16.835 23.239 768 HA ILE 113 HA ILE 113 -2.609 16.498 20.359 769 HB ILE 113 HB ILE 113 -2.422 14.194 21.282 770 1HG1 ILE 113 1HG1 ILE 113 -4.088 14.959 19.423 771 2HG1 ILE 113 2HG1 ILE 113 -4.271 13.351 20.116 772 1HG2 ILE 113 1HG2 ILE 113 -4.225 15.370 23.280 773 2HG2 ILE 113 2HG2 ILE 113 -4.759 13.794 22.691 774 3HG2 ILE 113 3HG2 ILE 113 -3.158 13.972 23.412 775 1HD1 ILE 113 1HD1 ILE 113 -5.727 15.352 21.661 776 2HD1 ILE 113 2HD1 ILE 113 -6.246 15.323 19.976 777 3HD1 ILE 113 3HD1 ILE 113 -6.310 13.851 20.942 778 H VAL 114 H VAL 114 -4.721 17.230 19.749 779 HA VAL 114 HA VAL 114 -6.161 18.738 21.900 780 HB VAL 114 HB VAL 114 -6.216 19.038 18.879 781 1HG1 VAL 114 1HG1 VAL 114 -8.126 19.941 20.384 782 2HG1 VAL 114 2HG1 VAL 114 -6.931 21.106 20.956 783 3HG1 VAL 114 3HG1 VAL 114 -7.376 21.065 19.249 784 1HG2 VAL 114 1HG2 VAL 114 -4.201 19.766 20.823 785 2HG2 VAL 114 2HG2 VAL 114 -4.173 19.967 19.071 786 3HG2 VAL 114 3HG2 VAL 114 -4.892 21.213 20.090 787 H TYR 115 H TYR 115 -8.120 17.875 22.505 788 HA TYR 115 HA TYR 115 -9.317 15.722 20.880 789 1HB TYR 115 1HB TYR 115 -10.152 15.055 22.899 790 2HB TYR 115 2HB TYR 115 -8.980 16.191 23.558 791 HD1 TYR 115 HD1 TYR 115 -9.800 18.686 23.795 792 HD2 TYR 115 HD2 TYR 115 -12.412 15.294 23.416 793 HE1 TYR 115 HE1 TYR 115 -11.652 20.004 24.778 794 HE2 TYR 115 HE2 TYR 115 -14.267 16.616 24.400 795 HH TYR 115 HH TYR 115 -14.932 18.836 24.798 796 H ASN 116 H ASN 116 -11.735 15.788 20.505 797 HA ASN 116 HA ASN 116 -13.693 16.857 19.710 798 1HB ASN 116 1HB ASN 116 -12.646 18.436 21.768 799 2HB ASN 116 2HB ASN 116 -12.913 19.569 20.447 800 2HD2 ASN 116 2HD2 ASN 116 -14.553 19.798 22.705 801 1HD2 ASN 116 1HD2 ASN 116 -16.123 19.268 22.335 802 H ALA 117 H ALA 117 -11.519 16.466 17.920 803 HA ALA 117 HA ALA 117 -10.770 18.846 16.484 804 1HB ALA 117 1HB ALA 117 -9.599 16.674 16.380 805 2HB ALA 117 2HB ALA 117 -11.016 15.943 15.627 806 3HB ALA 117 3HB ALA 117 -10.101 17.182 14.768 807 H LYS 118 H LYS 118 -13.765 17.266 16.756 808 HA LYS 118 HA LYS 118 -14.858 17.472 14.133 809 1HB LYS 118 2HB LYS 118 -16.944 17.190 15.280 810 2HB LYS 118 1HB LYS 118 -15.746 16.340 16.256 811 1HG LYS 118 1HG LYS 118 -15.555 18.279 17.750 812 2HG LYS 118 2HG LYS 118 -16.698 19.178 16.754 813 1HD LYS 118 1HD LYS 118 -17.236 16.704 18.414 814 2HD LYS 118 2HD LYS 118 -17.964 18.300 18.589 815 1HE LYS 118 1HE LYS 118 -18.592 17.721 15.981 816 2HE LYS 118 2HE LYS 118 -18.667 16.114 16.727 817 H HIS 119 H HIS 119 -14.036 19.914 16.451 818 HA HIS 119 HA HIS 119 -15.883 21.965 15.566 819 1HB HIS 119 1HB HIS 119 -13.216 22.016 17.015 820 2HB HIS 119 2HB HIS 119 -14.291 23.406 16.867 821 HD1 HIS 119 HD1 HIS 119 -17.000 22.338 17.466 822 HD2 HIS 119 HD2 HIS 119 -13.643 21.005 19.549 823 HE1 HIS 119 HE1 HIS 119 -17.846 21.378 19.652 824 H LEU 120 H LEU 120 -12.821 20.759 14.384 825 HA LEU 120 HA LEU 120 -11.631 22.854 13.037 826 1HB LEU 120 1HB LEU 120 -11.676 20.043 12.936 827 2HB LEU 120 2HB LEU 120 -11.959 20.566 11.277 828 HG LEU 120 HG LEU 120 -9.804 21.923 12.858 829 1HD1 LEU 120 1HD1 LEU 120 -9.734 19.114 11.772 830 2HD1 LEU 120 2HD1 LEU 120 -8.268 20.093 11.806 831 3HD1 LEU 120 3HD1 LEU 120 -9.115 19.721 13.308 832 1HD2 LEU 120 1HD2 LEU 120 -10.773 21.981 10.216 833 2HD2 LEU 120 2HD2 LEU 120 -9.308 22.754 10.822 834 3HD2 LEU 120 3HD2 LEU 120 -9.229 21.135 10.126 835 H ASP 121 H ASP 121 -12.330 24.326 11.545 836 HA ASP 121 HA ASP 121 -14.976 24.517 10.575 837 1HB ASP 121 1HB ASP 121 -13.310 26.335 10.649 838 2HB ASP 121 2HB ASP 121 -12.365 25.527 9.399 839 H TYR 122 H TYR 122 -12.223 22.725 9.305 840 HA TYR 122 HA TYR 122 -13.397 22.235 6.678 841 1HB TYR 122 1HB TYR 122 -10.997 22.244 7.000 842 2HB TYR 122 2HB TYR 122 -11.116 21.027 8.271 843 HD1 TYR 122 HD1 TYR 122 -11.395 21.644 4.637 844 HD2 TYR 122 HD2 TYR 122 -11.462 18.685 7.751 845 HE1 TYR 122 HE1 TYR 122 -11.232 19.847 2.934 846 HE2 TYR 122 HE2 TYR 122 -11.299 16.889 6.047 847 HH TYR 122 HH TYR 122 -11.812 17.432 2.750 848 H LEU 123 H LEU 123 -13.443 20.639 9.812 849 HA LEU 123 HA LEU 123 -14.609 18.156 8.727 850 1HB LEU 123 1HB LEU 123 -13.057 18.833 10.886 851 2HB LEU 123 2HB LEU 123 -14.650 18.701 11.630 852 HG LEU 123 HG LEU 123 -13.955 16.546 9.717 853 1HD1 LEU 123 1HD1 LEU 123 -11.891 17.225 11.292 854 2HD1 LEU 123 2HD1 LEU 123 -12.797 16.251 12.450 855 3HD1 LEU 123 3HD1 LEU 123 -12.269 15.542 10.925 856 1HD2 LEU 123 1HD2 LEU 123 -15.964 16.936 11.454 857 2HD2 LEU 123 2HD2 LEU 123 -15.382 15.321 11.048 858 3HD2 LEU 123 3HD2 LEU 123 -14.840 16.106 12.532 859 H GLN 124 H GLN 124 -15.666 21.032 10.522 860 HA GLN 124 HA GLN 124 -18.192 20.358 11.424 861 1HB GLN 124 1HB GLN 124 -17.121 22.807 10.013 862 2HB GLN 124 2HB GLN 124 -18.741 22.775 10.708 863 1HG GLN 124 1HG GLN 124 -17.183 21.738 12.746 864 2HG GLN 124 2HG GLN 124 -16.137 22.974 12.048 865 2HE2 GLN 124 2HE2 GLN 124 -19.303 22.449 13.592 866 1HE2 GLN 124 1HE2 GLN 124 -19.576 24.081 13.973 867 H ASN 125 H ASN 125 -17.157 20.653 8.082 868 HA ASN 125 HA ASN 125 -19.609 20.981 6.732 869 1HB ASN 125 1HB ASN 125 -16.907 19.991 6.232 870 2HB ASN 125 2HB ASN 125 -18.105 19.160 5.239 871 2HD2 ASN 125 2HD2 ASN 125 -17.878 20.221 3.228 872 1HD2 ASN 125 1HD2 ASN 125 -18.024 21.898 3.018 873 H ARG 126 H ARG 126 -18.067 17.931 7.809 874 HA ARG 126 HA ARG 126 -19.898 16.054 6.847 875 1HB ARG 126 1HB ARG 126 -18.620 16.112 9.598 876 2HB ARG 126 2HB ARG 126 -19.089 14.678 8.686 877 1HG ARG 126 1HG ARG 126 -17.497 15.654 6.846 878 2HG ARG 126 2HG ARG 126 -16.814 16.581 8.182 879 1HD ARG 126 1HD ARG 126 -15.779 14.743 9.047 880 2HD ARG 126 2HD ARG 126 -17.219 13.732 8.822 881 HE ARG 126 HE ARG 126 -15.373 14.449 6.567 882 1HH1 ARG 126 1HH1 ARG 126 -16.426 11.982 8.598 883 2HH1 ARG 126 2HH1 ARG 126 -16.719 10.832 7.335 884 1HH2 ARG 126 1HH2 ARG 126 -16.196 13.112 4.776 885 2HH2 ARG 126 2HH2 ARG 126 -16.587 11.471 5.171 886 H VAL 127 H VAL 127 -20.193 18.115 9.736 887 HA VAL 127 HA VAL 127 -22.603 16.930 10.761 888 HB VAL 127 HB VAL 127 -21.396 19.707 10.983 889 1HG1 VAL 127 1HG1 VAL 127 -23.750 18.393 12.287 890 2HG1 VAL 127 2HG1 VAL 127 -22.750 19.476 13.254 891 3HG1 VAL 127 3HG1 VAL 127 -23.538 20.072 11.794 892 1HG2 VAL 127 1HG2 VAL 127 -20.257 17.407 11.777 893 2HG2 VAL 127 2HG2 VAL 127 -20.111 18.895 12.712 894 3HG2 VAL 127 3HG2 VAL 127 -21.306 17.680 13.167 895 H ILE 128 H ILE 128 -24.697 17.177 10.062 896 HA ILE 128 HA ILE 128 -25.395 18.384 7.593 897 HB ILE 128 HB ILE 128 -27.732 18.146 8.557 898 1HG1 ILE 128 1HG1 ILE 128 -26.486 16.846 10.946 899 2HG1 ILE 128 2HG1 ILE 128 -26.640 18.603 10.946 900 1HG2 ILE 128 1HG2 ILE 128 -25.682 15.939 8.649 901 2HG2 ILE 128 2HG2 ILE 128 -27.370 15.613 9.045 902 3HG2 ILE 128 3HG2 ILE 128 -26.942 16.226 7.448 903 1HD1 ILE 128 1HD1 ILE 128 -29.108 17.873 10.039 904 2HD1 ILE 128 2HD1 ILE 128 -28.739 16.523 11.112 905 3HD1 ILE 128 3HD1 ILE 128 -28.736 18.173 11.737 No H/Q in entry = 905 Start of MODEL 3 1 H2 PRO 1 H2 PRO 1 2.164 6.476 31.081 2 H3 PRO 1 H3 PRO 1 3.737 6.011 30.631 3 HA PRO 1 HA PRO 1 3.779 7.691 29.196 4 1HB PRO 1 1HB PRO 1 1.838 7.174 27.336 5 2HB PRO 1 2HB PRO 1 3.345 6.244 27.447 6 1HG PRO 1 2HG PRO 1 0.620 5.580 28.459 7 2HG PRO 1 1HG PRO 1 1.822 4.534 27.688 8 1HD PRO 1 1HD PRO 1 1.391 4.587 30.374 9 2HD PRO 1 2HD PRO 1 2.963 4.188 29.649 10 H THR 2 H THR 2 3.019 9.798 29.131 11 HA THR 2 HA THR 2 0.251 10.285 30.183 12 HB THR 2 HB THR 2 2.369 12.382 30.222 13 HG1 THR 2 HG1 THR 2 2.406 10.026 31.794 14 1HG2 THR 2 1HG2 THR 2 -0.074 12.330 31.233 15 2HG2 THR 2 2HG2 THR 2 0.722 11.473 32.553 16 3HG2 THR 2 3HG2 THR 2 1.242 13.102 32.118 17 H VAL 3 H VAL 3 -1.132 11.242 28.740 18 HA VAL 3 HA VAL 3 0.056 12.711 26.406 19 HB VAL 3 HB VAL 3 -2.425 10.980 26.660 20 1HG1 VAL 3 1HG1 VAL 3 -2.696 12.980 25.148 21 2HG1 VAL 3 2HG1 VAL 3 -1.340 12.375 24.196 22 3HG1 VAL 3 3HG1 VAL 3 -2.826 11.431 24.315 23 1HG2 VAL 3 1HG2 VAL 3 0.078 10.092 26.400 24 2HG2 VAL 3 2HG2 VAL 3 -1.255 9.342 25.522 25 3HG2 VAL 3 3HG2 VAL 3 -0.209 10.506 24.710 26 H GLU 4 H GLU 4 -0.349 14.879 26.680 27 HA GLU 4 HA GLU 4 -2.533 15.826 28.390 28 1HB GLU 4 1HB GLU 4 -0.121 16.747 27.975 29 2HB GLU 4 2HB GLU 4 -0.835 17.498 26.549 30 1HG GLU 4 1HG GLU 4 -2.214 18.888 27.805 31 2HG GLU 4 2HG GLU 4 -2.222 17.798 29.191 32 H TYR 5 H TYR 5 -4.603 15.904 27.583 33 HA TYR 5 HA TYR 5 -5.045 16.170 24.664 34 1HB TYR 5 1HB TYR 5 -7.373 15.665 25.312 35 2HB TYR 5 2HB TYR 5 -6.261 14.512 26.048 36 HD1 TYR 5 HD1 TYR 5 -8.211 17.621 26.690 37 HD2 TYR 5 HD2 TYR 5 -6.065 14.324 28.410 38 HE1 TYR 5 HE1 TYR 5 -9.045 18.250 28.940 39 HE2 TYR 5 HE2 TYR 5 -6.897 14.953 30.658 40 HH TYR 5 HH TYR 5 -9.203 17.622 31.080 41 H LEU 6 H LEU 6 -5.922 18.012 23.707 42 HA LEU 6 HA LEU 6 -6.577 20.321 25.514 43 1HB LEU 6 1HB LEU 6 -4.371 20.003 23.852 44 2HB LEU 6 2HB LEU 6 -5.472 20.971 22.876 45 HG LEU 6 HG LEU 6 -4.495 21.605 25.676 46 1HD1 LEU 6 1HD1 LEU 6 -3.157 22.034 23.406 47 2HD1 LEU 6 2HD1 LEU 6 -4.237 23.426 23.320 48 3HD1 LEU 6 3HD1 LEU 6 -3.164 23.227 24.705 49 1HD2 LEU 6 1HD2 LEU 6 -6.985 22.212 24.662 50 2HD2 LEU 6 2HD2 LEU 6 -6.145 23.149 25.898 51 3HD2 LEU 6 3HD2 LEU 6 -6.041 23.629 24.204 52 H ASN 7 H ASN 7 -8.735 20.773 25.200 53 HA ASN 7 HA ASN 7 -10.397 19.849 23.128 54 1HB ASN 7 1HB ASN 7 -11.885 21.683 23.897 55 2HB ASN 7 2HB ASN 7 -11.130 20.857 25.259 56 2HD2 ASN 7 2HD2 ASN 7 -12.050 23.492 25.629 57 1HD2 ASN 7 1HD2 ASN 7 -10.723 24.538 25.781 58 H TYR 8 H TYR 8 -10.389 20.328 20.968 59 HA TYR 8 HA TYR 8 -8.667 22.214 19.726 60 1HB TYR 8 1HB TYR 8 -9.493 20.466 18.396 61 2HB TYR 8 2HB TYR 8 -11.144 20.675 18.977 62 HD1 TYR 8 HD1 TYR 8 -8.543 22.000 16.706 63 HD2 TYR 8 HD2 TYR 8 -12.622 22.334 18.011 64 HE1 TYR 8 HE1 TYR 8 -9.048 23.450 14.759 65 HE2 TYR 8 HE2 TYR 8 -13.126 23.785 16.064 66 HH TYR 8 HH TYR 8 -11.025 24.106 13.421 67 H GLU 9 H GLU 9 -11.656 22.693 21.377 68 HA GLU 9 HA GLU 9 -12.605 25.032 19.979 69 1HB GLU 9 1HB GLU 9 -13.224 23.404 22.290 70 2HB GLU 9 2HB GLU 9 -13.391 25.113 22.691 71 1HG GLU 9 1HG GLU 9 -14.488 24.445 20.055 72 2HG GLU 9 2HG GLU 9 -15.286 23.581 21.370 73 H THR 10 H THR 10 -10.338 24.556 22.672 74 HA THR 10 HA THR 10 -10.151 27.343 23.414 75 HB THR 10 HB THR 10 -8.459 24.867 23.794 76 HG1 THR 10 HG1 THR 10 -10.015 26.508 25.505 77 1HG2 THR 10 1HG2 THR 10 -7.007 26.912 23.711 78 2HG2 THR 10 2HG2 THR 10 -7.961 27.587 25.031 79 3HG2 THR 10 3HG2 THR 10 -7.017 26.120 25.287 80 H LEU 11 H LEU 11 -8.494 25.319 21.032 81 HA LEU 11 HA LEU 11 -6.371 27.202 20.441 82 1HB LEU 11 1HB LEU 11 -6.201 24.823 19.949 83 2HB LEU 11 2HB LEU 11 -7.629 24.898 18.917 84 HG LEU 11 HG LEU 11 -6.418 26.515 17.441 85 1HD1 LEU 11 1HD1 LEU 11 -4.852 27.287 19.261 86 2HD1 LEU 11 2HD1 LEU 11 -3.997 25.752 19.097 87 3HD1 LEU 11 3HD1 LEU 11 -4.046 26.884 17.744 88 1HD2 LEU 11 1HD2 LEU 11 -5.061 23.846 17.932 89 2HD2 LEU 11 2HD2 LEU 11 -6.430 24.142 16.859 90 3HD2 LEU 11 3HD2 LEU 11 -4.849 24.827 16.481 91 H ASP 12 H ASP 12 -9.576 26.540 19.022 92 HA ASP 12 HA ASP 12 -9.269 28.525 16.901 93 1HB ASP 12 1HB ASP 12 -10.706 26.388 16.985 94 2HB ASP 12 2HB ASP 12 -11.821 27.316 17.990 95 H ASP 13 H ASP 13 -11.321 28.352 19.843 96 HA ASP 13 HA ASP 13 -12.463 30.906 19.777 97 1HB ASP 13 1HB ASP 13 -12.782 28.961 21.406 98 2HB ASP 13 2HB ASP 13 -11.347 29.550 22.247 99 H GLN 14 H GLN 14 -9.334 29.989 21.266 100 HA GLN 14 HA GLN 14 -8.631 32.790 21.796 101 1HB GLN 14 1HB GLN 14 -7.124 30.160 21.974 102 2HB GLN 14 2HB GLN 14 -6.526 31.698 22.598 103 1HG GLN 14 1HG GLN 14 -9.189 31.333 23.569 104 2HG GLN 14 2HG GLN 14 -8.293 29.844 23.870 105 2HE2 GLN 14 2HE2 GLN 14 -7.819 30.085 26.104 106 1HE2 GLN 14 1HE2 GLN 14 -6.938 31.391 26.741 107 H GLY 15 H GLY 15 -8.235 30.518 19.202 108 1HA GLY 15 2HA GLY 15 -7.151 32.452 17.408 109 2HA GLY 15 1HA GLY 15 -7.159 30.711 17.127 110 H TRP 16 H TRP 16 -5.607 29.970 19.421 111 HA TRP 16 HA TRP 16 -3.075 31.446 19.362 112 1HB TRP 16 1HB TRP 16 -4.448 29.543 20.982 113 2HB TRP 16 2HB TRP 16 -2.900 28.829 20.530 114 HD1 TRP 16 HD1 TRP 16 -3.780 30.093 23.454 115 HE1 TRP 16 HE1 TRP 16 -2.188 31.830 24.501 116 HE3 TRP 16 HE3 TRP 16 -1.204 31.544 19.293 117 HZ2 TRP 16 HZ2 TRP 16 -0.097 33.601 23.679 118 HZ3 TRP 16 HZ3 TRP 16 0.581 33.255 19.453 119 HH2 TRP 16 HH2 TRP 16 1.138 34.285 21.638 120 H ASP 17 H ASP 17 -1.104 29.623 19.252 121 HA ASP 17 HA ASP 17 -1.194 28.695 16.434 122 1HB ASP 17 1HB ASP 17 0.954 29.072 18.534 123 2HB ASP 17 2HB ASP 17 1.290 28.364 16.955 124 H MET 18 H MET 18 0.044 26.515 16.093 125 HA MET 18 HA MET 18 -1.372 24.454 17.608 126 1HB MET 18 1HB MET 18 0.690 24.441 15.387 127 2HB MET 18 2HB MET 18 -0.112 22.988 15.986 128 1HG MET 18 1HG MET 18 -1.945 23.432 14.754 129 2HG MET 18 2HG MET 18 -2.067 25.048 15.448 130 1HE MET 18 1HE MET 18 -0.022 22.818 13.222 131 2HE MET 18 2HE MET 18 -1.429 23.074 12.193 132 3HE MET 18 3HE MET 18 0.144 23.690 11.691 133 H ASP 19 H ASP 19 2.076 25.351 17.174 134 HA ASP 19 HA ASP 19 2.639 24.007 19.787 135 1HB ASP 19 1HB ASP 19 4.647 22.998 18.684 136 2HB ASP 19 2HB ASP 19 3.131 22.440 17.976 137 H ASP 20 H ASP 20 2.774 26.828 18.103 138 HA ASP 20 HA ASP 20 5.503 27.682 18.706 139 1HB ASP 20 1HB ASP 20 2.965 28.863 17.631 140 2HB ASP 20 2HB ASP 20 4.246 29.954 18.157 141 H ASP 21 H ASP 21 2.326 28.850 19.910 142 HA ASP 21 HA ASP 21 3.575 30.078 22.257 143 1HB ASP 21 1HB ASP 21 1.348 30.868 22.666 144 2HB ASP 21 2HB ASP 21 1.548 30.875 20.914 145 H ASP 22 H ASP 22 3.130 26.928 21.604 146 HA ASP 22 HA ASP 22 2.711 24.998 22.916 147 1HB ASP 22 1HB ASP 22 3.871 27.057 24.812 148 2HB ASP 22 2HB ASP 22 3.639 25.370 25.273 149 H LEU 23 H LEU 23 0.334 26.222 22.454 150 HA LEU 23 HA LEU 23 -1.293 27.341 24.345 151 1HB LEU 23 1HB LEU 23 -1.899 26.488 22.067 152 2HB LEU 23 2HB LEU 23 -1.961 24.856 22.736 153 HG LEU 23 HG LEU 23 -3.781 25.431 24.190 154 1HD1 LEU 23 1HD1 LEU 23 -2.883 28.203 23.562 155 2HD1 LEU 23 2HD1 LEU 23 -4.610 27.965 23.827 156 3HD1 LEU 23 3HD1 LEU 23 -3.456 27.525 25.086 157 1HD2 LEU 23 1HD2 LEU 23 -4.009 25.454 21.464 158 2HD2 LEU 23 2HD2 LEU 23 -5.382 25.522 22.571 159 3HD2 LEU 23 3HD2 LEU 23 -4.732 27.008 21.879 160 H PHE 24 H PHE 24 -0.382 23.878 24.305 161 HA PHE 24 HA PHE 24 -1.900 22.907 26.442 162 1HB PHE 24 1HB PHE 24 0.940 22.392 25.526 163 2HB PHE 24 2HB PHE 24 0.174 21.422 26.783 164 HD1 PHE 24 HD1 PHE 24 0.127 22.334 23.210 165 HD2 PHE 24 HD2 PHE 24 -1.666 19.910 26.269 166 HE1 PHE 24 HE1 PHE 24 -1.006 20.977 21.471 167 HE2 PHE 24 HE2 PHE 24 -2.800 18.555 24.529 168 HZ PHE 24 HZ PHE 24 -2.470 19.087 22.130 169 H GLU 25 H GLU 25 0.884 25.033 26.481 170 HA GLU 25 HA GLU 25 1.202 24.858 29.416 171 1HB GLU 25 1HB GLU 25 2.697 25.701 27.086 172 2HB GLU 25 2HB GLU 25 2.702 26.981 28.299 173 1HG GLU 25 2HG GLU 25 4.467 25.750 29.112 174 2HG GLU 25 1HG GLU 25 3.161 24.875 29.910 175 H LYS 26 H LYS 26 0.098 27.214 26.976 176 HA LYS 26 HA LYS 26 -0.439 29.345 28.849 177 1HB LYS 26 1HB LYS 26 -1.360 28.648 26.049 178 2HB LYS 26 2HB LYS 26 -1.820 30.151 26.850 179 1HG LYS 26 1HG LYS 26 1.016 29.747 27.143 180 2HG LYS 26 2HG LYS 26 0.581 29.610 25.439 181 1HD LYS 26 1HD LYS 26 -0.876 31.764 25.995 182 2HD LYS 26 2HD LYS 26 0.310 31.951 27.286 183 1HE LYS 26 2HE LYS 26 0.908 31.717 24.312 184 2HE LYS 26 1HE LYS 26 1.132 33.152 25.330 185 1HZ LYS 26 1HZ LYS 26 2.470 31.493 26.796 186 2HZ LYS 26 2HZ LYS 26 2.605 30.600 25.357 187 3HZ LYS 26 3HZ LYS 26 3.209 32.186 25.432 188 H ALA 27 H ALA 27 -2.128 26.441 27.990 189 HA ALA 27 HA ALA 27 -4.807 27.302 28.688 190 1HB ALA 27 1HB ALA 27 -3.585 25.136 27.489 191 2HB ALA 27 3HB ALA 27 -4.093 24.466 29.039 192 3HB ALA 27 2HB ALA 27 -5.283 25.195 27.959 193 H ALA 28 H ALA 28 -2.074 25.952 30.470 194 HA ALA 28 HA ALA 28 -3.429 25.211 32.872 195 1HB ALA 28 1HB ALA 28 -0.684 25.809 31.926 196 2HB ALA 28 3HB ALA 28 -0.929 25.954 33.666 197 3HB ALA 28 2HB ALA 28 -1.275 24.429 32.852 198 H ASP 29 H ASP 29 -2.346 28.319 31.639 199 HA ASP 29 HA ASP 29 -2.675 29.707 34.204 200 1HB ASP 29 1HB ASP 29 -2.003 30.384 31.354 201 2HB ASP 29 2HB ASP 29 -2.432 31.683 32.467 202 H ALA 30 H ALA 30 -4.774 28.630 31.746 203 HA ALA 30 HA ALA 30 -6.759 30.800 32.182 204 1HB ALA 30 1HB ALA 30 -6.686 28.363 30.374 205 2HB ALA 30 3HB ALA 30 -7.922 29.621 30.326 206 3HB ALA 30 2HB ALA 30 -6.253 30.007 29.907 207 H GLY 31 H GLY 31 -5.987 27.673 33.368 208 1HA GLY 31 2HA GLY 31 -8.114 27.629 35.259 209 2HA GLY 31 1HA GLY 31 -7.123 26.234 34.832 210 H LEU 32 H LEU 32 -7.842 26.280 32.007 211 HA LEU 32 HA LEU 32 -10.575 26.283 31.396 212 1HB LEU 32 1HB LEU 32 -8.134 24.820 30.497 213 2HB LEU 32 2HB LEU 32 -9.689 24.220 29.918 214 HG LEU 32 HG LEU 32 -9.094 27.162 29.786 215 1HD1 LEU 32 1HD1 LEU 32 -7.871 24.979 28.162 216 2HD1 LEU 32 2HD1 LEU 32 -8.426 26.412 27.297 217 3HD1 LEU 32 3HD1 LEU 32 -7.224 26.565 28.579 218 1HD2 LEU 32 1HD2 LEU 32 -11.309 25.722 29.208 219 2HD2 LEU 32 2HD2 LEU 32 -10.886 27.206 28.356 220 3HD2 LEU 32 3HD2 LEU 32 -10.490 25.639 27.649 221 H ASP 33 H ASP 33 -11.949 24.240 31.042 222 HA ASP 33 HA ASP 33 -12.304 22.861 33.570 223 1HB ASP 33 1HB ASP 33 -13.573 23.083 30.907 224 2HB ASP 33 2HB ASP 33 -13.845 21.546 31.727 225 H GLY 34 H GLY 34 -12.359 20.420 33.681 226 1HA GLY 34 2HA GLY 34 -11.032 18.466 33.654 227 2HA GLY 34 1HA GLY 34 -9.862 19.323 32.652 228 H GLU 35 H GLU 35 -13.186 19.323 31.649 229 HA GLU 35 HA GLU 35 -12.986 16.939 29.963 230 1HB GLU 35 1HB GLU 35 -15.007 18.262 31.122 231 2HB GLU 35 2HB GLU 35 -15.036 19.075 29.558 232 1HG GLU 35 1HG GLU 35 -14.722 16.248 29.139 233 2HG GLU 35 2HG GLU 35 -16.101 16.521 30.204 234 H ASP 36 H ASP 36 -11.404 19.761 29.665 235 HA ASP 36 HA ASP 36 -11.596 19.725 26.671 236 1HB ASP 36 1HB ASP 36 -11.883 21.916 28.675 237 2HB ASP 36 2HB ASP 36 -11.013 22.307 27.192 238 H TYR 37 H TYR 37 -9.628 20.733 29.486 239 HA TYR 37 HA TYR 37 -7.188 20.021 27.897 240 1HB TYR 37 1HB TYR 37 -7.342 22.405 27.862 241 2HB TYR 37 2HB TYR 37 -7.823 22.470 29.557 242 HD1 TYR 37 HD1 TYR 37 -5.037 20.884 27.590 243 HD2 TYR 37 HD2 TYR 37 -6.166 23.268 30.980 244 HE1 TYR 37 HE1 TYR 37 -2.656 21.059 28.260 245 HE2 TYR 37 HE2 TYR 37 -3.784 23.442 31.650 246 HH TYR 37 HH TYR 37 -1.232 21.770 29.810 247 H GLY 38 H GLY 38 -5.745 18.761 29.041 248 1HA GLY 38 2HA GLY 38 -6.495 17.665 31.593 249 2HA GLY 38 1HA GLY 38 -5.207 18.852 31.801 250 H THR 39 H THR 39 -4.008 16.833 32.530 251 HA THR 39 HA THR 39 -2.477 15.759 30.236 252 HB THR 39 HB THR 39 -2.192 15.621 33.252 253 HG1 THR 39 HG1 THR 39 -0.885 17.057 31.191 254 1HG2 THR 39 1HG2 THR 39 -1.046 13.943 31.258 255 2HG2 THR 39 2HG2 THR 39 0.225 15.014 31.847 256 3HG2 THR 39 3HG2 THR 39 -0.666 13.997 32.980 257 H MET 40 H MET 40 -3.250 13.893 29.310 258 HA MET 40 HA MET 40 -4.984 12.060 30.823 259 1HB MET 40 1HB MET 40 -4.945 12.856 28.277 260 2HB MET 40 2HB MET 40 -3.875 11.465 28.110 261 1HG MET 40 1HG MET 40 -5.759 10.222 27.954 262 2HG MET 40 2HG MET 40 -5.939 10.491 29.688 263 1HE MET 40 1HE MET 40 -8.371 10.362 29.932 264 2HE MET 40 2HE MET 40 -7.709 11.754 30.784 265 3HE MET 40 3HE MET 40 -9.245 11.892 29.917 266 H GLU 41 H GLU 41 -3.657 11.021 32.385 267 HA GLU 41 HA GLU 41 -1.150 9.711 31.478 268 1HB GLU 41 1HB GLU 41 -1.239 11.016 33.579 269 2HB GLU 41 2HB GLU 41 -2.511 9.953 34.183 270 1HG GLU 41 1HG GLU 41 -0.867 8.024 33.812 271 2HG GLU 41 2HG GLU 41 0.374 9.258 33.598 272 H VAL 42 H VAL 42 -1.622 7.789 30.408 273 HA VAL 42 HA VAL 42 -3.570 5.931 31.741 274 HB VAL 42 HB VAL 42 -4.094 5.149 29.511 275 1HG1 VAL 42 1HG1 VAL 42 -4.743 7.607 30.399 276 2HG1 VAL 42 2HG1 VAL 42 -3.863 8.064 28.940 277 3HG1 VAL 42 3HG1 VAL 42 -5.269 7.003 28.828 278 1HG2 VAL 42 1HG2 VAL 42 -1.484 6.348 28.933 279 2HG2 VAL 42 2HG2 VAL 42 -2.348 5.073 28.072 280 3HG2 VAL 42 3HG2 VAL 42 -2.708 6.767 27.734 281 H ALA 43 H ALA 43 -2.977 3.663 31.721 282 HA ALA 43 HA ALA 43 -0.183 3.136 32.192 283 1HB ALA 43 1HB ALA 43 -2.682 1.947 32.636 284 2HB ALA 43 3HB ALA 43 -1.118 1.293 33.119 285 3HB ALA 43 2HB ALA 43 -1.837 0.814 31.581 286 H GLU 44 H GLU 44 1.372 2.363 30.781 287 HA GLU 44 HA GLU 44 1.160 2.614 27.983 288 1HB GLU 44 1HB GLU 44 3.083 2.005 29.861 289 2HB GLU 44 2HB GLU 44 2.956 0.491 28.967 290 1HG GLU 44 1HG GLU 44 2.931 2.741 27.144 291 2HG GLU 44 2HG GLU 44 4.354 2.812 28.183 292 H GLY 45 H GLY 45 -0.238 1.503 26.684 293 1HA GLY 45 2HA GLY 45 -0.568 -1.427 27.186 294 2HA GLY 45 1HA GLY 45 -0.614 -0.698 25.579 295 H GLU 46 H GLU 46 -2.136 1.562 27.265 296 HA GLU 46 HA GLU 46 -4.808 0.195 27.158 297 1HB GLU 46 1HB GLU 46 -3.612 2.377 28.871 298 2HB GLU 46 2HB GLU 46 -5.358 2.151 28.770 299 1HG GLU 46 1HG GLU 46 -4.756 -0.371 29.259 300 2HG GLU 46 2HG GLU 46 -3.273 0.321 29.916 301 H TYR 47 H TYR 47 -6.521 1.339 26.126 302 HA TYR 47 HA TYR 47 -5.704 3.194 24.017 303 1HB TYR 47 2HB TYR 47 -8.485 2.379 24.908 304 2HB TYR 47 1HB TYR 47 -7.986 2.908 23.301 305 HD1 TYR 47 HD1 TYR 47 -5.259 1.293 23.554 306 HD2 TYR 47 HD2 TYR 47 -9.409 0.273 23.989 307 HE1 TYR 47 HE1 TYR 47 -4.745 -1.056 22.943 308 HE2 TYR 47 HE2 TYR 47 -8.896 -2.075 23.379 309 HH TYR 47 HH TYR 47 -7.309 -3.536 22.874 310 H ILE 48 H ILE 48 -5.638 5.390 24.260 311 HA ILE 48 HA ILE 48 -6.077 6.841 26.598 312 HB ILE 48 HB ILE 48 -6.443 7.606 23.687 313 1HG1 ILE 48 1HG1 ILE 48 -4.119 8.195 25.526 314 2HG1 ILE 48 2HG1 ILE 48 -4.206 6.702 24.592 315 1HG2 ILE 48 1HG2 ILE 48 -7.287 9.096 25.857 316 2HG2 ILE 48 2HG2 ILE 48 -5.652 9.700 25.587 317 3HG2 ILE 48 3HG2 ILE 48 -6.839 9.757 24.285 318 1HD1 ILE 48 1HD1 ILE 48 -4.831 8.653 22.721 319 2HD1 ILE 48 2HD1 ILE 48 -3.583 9.423 23.702 320 3HD1 ILE 48 3HD1 ILE 48 -3.257 7.882 22.908 321 H LEU 49 H LEU 49 -8.442 6.585 23.902 322 HA LEU 49 HA LEU 49 -10.597 7.956 24.991 323 1HB LEU 49 1HB LEU 49 -10.714 7.054 22.788 324 2HB LEU 49 2HB LEU 49 -10.405 5.414 23.363 325 HG LEU 49 HG LEU 49 -12.711 6.450 24.724 326 1HD1 LEU 49 1HD1 LEU 49 -12.534 6.999 21.788 327 2HD1 LEU 49 2HD1 LEU 49 -14.069 6.413 22.429 328 3HD1 LEU 49 3HD1 LEU 49 -13.368 7.907 23.050 329 1HD2 LEU 49 1HD2 LEU 49 -12.153 4.069 24.319 330 2HD2 LEU 49 2HD2 LEU 49 -13.762 4.467 23.716 331 3HD2 LEU 49 3HD2 LEU 49 -12.412 4.311 22.592 332 H GLU 50 H GLU 50 -9.510 4.673 25.807 333 HA GLU 50 HA GLU 50 -11.782 4.013 27.475 334 1HB GLU 50 1HB GLU 50 -9.335 2.865 26.517 335 2HB GLU 50 2HB GLU 50 -9.407 2.634 28.264 336 1HG GLU 50 1HG GLU 50 -11.898 2.107 26.705 337 2HG GLU 50 2HG GLU 50 -10.591 0.932 26.567 338 H ALA 51 H ALA 51 -8.450 5.102 28.247 339 HA ALA 51 HA ALA 51 -8.662 5.216 31.050 340 1HB ALA 51 1HB ALA 51 -7.246 7.456 29.752 341 2HB ALA 51 2HB ALA 51 -6.832 5.867 29.108 342 3HB ALA 51 3HB ALA 51 -6.618 6.206 30.826 343 H ALA 52 H ALA 52 -9.549 7.683 28.655 344 HA ALA 52 HA ALA 52 -10.522 9.554 30.683 345 1HB ALA 52 1HB ALA 52 -9.600 9.717 28.115 346 2HB ALA 52 3HB ALA 52 -10.533 10.992 28.900 347 3HB ALA 52 2HB ALA 52 -11.341 9.826 27.851 348 H GLU 53 H GLU 53 -11.905 7.126 28.538 349 HA GLU 53 HA GLU 53 -14.640 7.803 28.630 350 1HB GLU 53 1HB GLU 53 -13.898 6.063 27.196 351 2HB GLU 53 2HB GLU 53 -13.092 5.213 28.514 352 1HG GLU 53 1HG GLU 53 -15.999 5.635 28.882 353 2HG GLU 53 2HG GLU 53 -15.560 4.543 27.568 354 H ALA 54 H ALA 54 -12.625 6.197 31.039 355 HA ALA 54 HA ALA 54 -14.838 5.429 32.772 356 1HB ALA 54 1HB ALA 54 -11.876 5.759 33.343 357 2HB ALA 54 3HB ALA 54 -13.018 4.778 34.262 358 3HB ALA 54 2HB ALA 54 -12.592 4.323 32.613 359 H GLN 55 H GLN 55 -13.299 8.395 32.118 360 HA GLN 55 HA GLN 55 -13.904 9.487 34.832 361 1HB GLN 55 1HB GLN 55 -12.243 10.368 32.464 362 2HB GLN 55 2HB GLN 55 -12.574 11.445 33.821 363 1HG GLN 55 1HG GLN 55 -11.785 9.057 35.030 364 2HG GLN 55 2HG GLN 55 -10.702 9.213 33.646 365 2HE2 GLN 55 2HE2 GLN 55 -8.796 10.070 34.541 366 1HE2 GLN 55 1HE2 GLN 55 -8.735 11.462 35.511 367 H GLY 56 H GLY 56 -14.848 9.676 31.450 368 1HA GLY 56 2HA GLY 56 -16.898 11.720 32.210 369 2HA GLY 56 1HA GLY 56 -17.238 10.391 31.101 370 H TYR 57 H TYR 57 -14.543 10.658 29.834 371 HA TYR 57 HA TYR 57 -14.566 13.351 28.624 372 1HB TYR 57 1HB TYR 57 -12.863 10.864 28.474 373 2HB TYR 57 2HB TYR 57 -12.618 12.193 27.342 374 HD1 TYR 57 HD1 TYR 57 -12.127 14.507 28.237 375 HD2 TYR 57 HD2 TYR 57 -12.091 11.006 30.721 376 HE1 TYR 57 HE1 TYR 57 -10.828 15.737 29.951 377 HE2 TYR 57 HE2 TYR 57 -10.791 12.235 32.438 378 HH TYR 57 HH TYR 57 -10.069 15.690 32.067 379 H ASP 58 H ASP 58 -15.440 13.802 26.618 380 HA ASP 58 HA ASP 58 -16.803 11.579 25.177 381 1HB ASP 58 1HB ASP 58 -17.995 13.667 25.910 382 2HB ASP 58 2HB ASP 58 -16.953 14.590 24.827 383 H TRP 59 H TRP 59 -16.424 11.254 22.913 384 HA TRP 59 HA TRP 59 -14.180 12.782 21.676 385 1HB TRP 59 2HB TRP 59 -14.376 9.761 21.911 386 2HB TRP 59 1HB TRP 59 -13.092 10.646 21.085 387 HD1 TRP 59 HD1 TRP 59 -14.560 10.101 24.594 388 HE1 TRP 59 HE1 TRP 59 -12.732 10.629 26.333 389 HE3 TRP 59 HE3 TRP 59 -10.884 11.849 21.511 390 HZ2 TRP 59 HZ2 TRP 59 -10.064 11.654 26.409 391 HZ3 TRP 59 HZ3 TRP 59 -8.711 12.594 22.441 392 HH2 TRP 59 HH2 TRP 59 -8.296 12.498 24.884 393 HA PRO 60 HA PRO 60 -16.637 12.421 18.057 394 1HB PRO 60 1HB PRO 60 -14.709 12.387 16.113 395 2HB PRO 60 2HB PRO 60 -15.135 13.845 17.027 396 1HG PRO 60 2HG PRO 60 -12.836 11.982 17.383 397 2HG PRO 60 1HG PRO 60 -12.890 13.744 17.526 398 1HD PRO 60 1HD PRO 60 -12.894 12.042 19.666 399 2HD PRO 60 2HD PRO 60 -13.610 13.668 19.697 400 H PHE 61 H PHE 61 -17.102 10.092 18.876 401 HA PHE 61 HA PHE 61 -15.663 7.838 17.823 402 1HB PHE 61 1HB PHE 61 -17.214 7.860 19.773 403 2HB PHE 61 2HB PHE 61 -18.561 8.144 18.673 404 HD1 PHE 61 HD1 PHE 61 -15.684 5.987 17.811 405 HD2 PHE 61 HD2 PHE 61 -19.748 6.095 19.202 406 HE1 PHE 61 HE1 PHE 61 -15.883 3.548 17.423 407 HE2 PHE 61 HE2 PHE 61 -19.944 3.654 18.813 408 HZ PHE 61 HZ PHE 61 -18.012 2.381 17.924 409 H SER 62 H SER 62 -15.397 7.834 15.570 410 HA SER 62 HA SER 62 -17.908 7.656 13.958 411 1HB SER 62 1HB SER 62 -17.164 9.926 13.716 412 2HB SER 62 2HB SER 62 -15.485 9.421 13.527 413 HG SER 62 HG SER 62 -17.614 8.819 11.752 414 H CYS 63 H CYS 63 -15.862 5.662 14.934 415 HA CYS 63 HA CYS 63 -14.201 4.899 12.682 416 1HB CYS 63 1HB CYS 63 -14.629 4.205 15.403 417 2HB CYS 63 2HB CYS 63 -14.858 2.729 14.465 418 H ARG 64 H ARG 64 -14.674 2.227 12.257 419 HA ARG 64 HA ARG 64 -17.499 1.701 11.682 420 1HB ARG 64 1HB ARG 64 -16.639 3.380 9.957 421 2HB ARG 64 2HB ARG 64 -15.586 2.094 9.367 422 1HG ARG 64 2HG ARG 64 -17.344 1.519 8.051 423 2HG ARG 64 1HG ARG 64 -18.026 0.821 9.521 424 1HD ARG 64 1HD ARG 64 -19.665 2.340 8.466 425 2HD ARG 64 2HD ARG 64 -19.118 3.030 10.008 426 HE ARG 64 HE ARG 64 -17.649 3.785 7.528 427 1HH1 ARG 64 1HH1 ARG 64 -20.531 4.719 8.845 428 2HH1 ARG 64 2HH1 ARG 64 -20.071 6.350 9.202 429 1HH2 ARG 64 1HH2 ARG 64 -16.708 5.826 8.542 430 2HH2 ARG 64 2HH2 ARG 64 -17.906 6.977 9.031 431 H ALA 65 H ALA 65 -15.408 0.282 13.098 432 HA ALA 65 HA ALA 65 -14.328 -1.833 13.152 433 1HB ALA 65 1HB ALA 65 -17.057 -1.927 12.327 434 2HB ALA 65 3HB ALA 65 -16.143 -3.175 13.176 435 3HB ALA 65 2HB ALA 65 -16.189 -3.161 11.413 436 H GLY 66 H GLY 66 -12.434 -1.302 11.878 437 1HA GLY 66 2HA GLY 66 -12.609 -2.143 9.011 438 2HA GLY 66 1HA GLY 66 -11.268 -2.639 10.044 439 H ALA 67 H ALA 67 -12.532 -0.108 8.067 440 HA ALA 67 HA ALA 67 -9.988 1.375 8.316 441 1HB ALA 67 1HB ALA 67 -11.164 0.763 6.152 442 2HB ALA 67 3HB ALA 67 -12.428 1.912 6.595 443 3HB ALA 67 2HB ALA 67 -10.781 2.478 6.313 444 H CYS 68 H CYS 68 -10.187 3.847 8.438 445 HA CYS 68 HA CYS 68 -12.573 4.870 9.850 446 1HB CYS 68 1HB CYS 68 -11.347 3.838 11.655 447 2HB CYS 68 2HB CYS 68 -9.830 4.547 11.100 448 H ALA 69 H ALA 69 -9.235 6.068 10.028 449 HA ALA 69 HA ALA 69 -8.366 8.168 9.351 450 1HB ALA 69 1HB ALA 69 -9.031 6.535 7.242 451 2HB ALA 69 3HB ALA 69 -9.876 8.024 6.820 452 3HB ALA 69 2HB ALA 69 -8.133 8.044 7.085 453 H ASN 70 H ASN 70 -11.153 8.101 10.619 454 HA ASN 70 HA ASN 70 -12.074 10.763 9.587 455 1HB ASN 70 1HB ASN 70 -13.393 8.185 9.818 456 2HB ASN 70 2HB ASN 70 -14.246 9.408 10.761 457 2HD2 ASN 70 2HD2 ASN 70 -13.604 8.277 7.541 458 1HD2 ASN 70 1HD2 ASN 70 -14.420 9.515 6.717 459 H CYS 71 H CYS 71 -10.671 9.209 12.154 460 HA CYS 71 HA CYS 71 -12.121 10.022 14.454 461 1HB CYS 71 1HB CYS 71 -9.877 8.624 13.944 462 2HB CYS 71 2HB CYS 71 -9.140 10.147 14.444 463 H ALA 72 H ALA 72 -10.302 11.673 15.890 464 HA ALA 72 HA ALA 72 -9.874 14.156 14.374 465 1HB ALA 72 1HB ALA 72 -12.355 13.549 15.731 466 2HB ALA 72 3HB ALA 72 -11.588 14.950 16.477 467 3HB ALA 72 2HB ALA 72 -11.950 14.958 14.750 468 H SER 73 H SER 73 -7.716 13.777 15.286 469 HA SER 73 HA SER 73 -7.458 14.892 18.028 470 1HB SER 73 1HB SER 73 -6.706 12.139 17.085 471 2HB SER 73 2HB SER 73 -5.717 12.917 18.320 472 HG SER 73 HG SER 73 -7.925 11.635 18.712 473 H ILE 74 H ILE 74 -6.145 16.638 17.556 474 HA ILE 74 HA ILE 74 -4.139 16.451 15.398 475 HB ILE 74 HB ILE 74 -4.756 18.717 17.315 476 1HG1 ILE 74 1HG1 ILE 74 -6.825 17.890 16.217 477 2HG1 ILE 74 2HG1 ILE 74 -6.373 19.493 15.635 478 1HG2 ILE 74 1HG2 ILE 74 -3.598 18.607 14.512 479 2HG2 ILE 74 2HG2 ILE 74 -3.971 20.091 15.390 480 3HG2 ILE 74 3HG2 ILE 74 -2.717 19.003 15.988 481 1HD1 ILE 74 1HD1 ILE 74 -5.673 16.894 14.237 482 2HD1 ILE 74 2HD1 ILE 74 -7.011 17.948 13.781 483 3HD1 ILE 74 3HD1 ILE 74 -5.349 18.522 13.642 484 H VAL 75 H VAL 75 -2.813 14.791 16.592 485 HA VAL 75 HA VAL 75 -1.590 15.091 19.094 486 HB VAL 75 HB VAL 75 -1.424 13.148 17.553 487 1HG1 VAL 75 1HG1 VAL 75 -0.714 15.050 15.682 488 2HG1 VAL 75 2HG1 VAL 75 0.827 14.268 16.035 489 3HG1 VAL 75 3HG1 VAL 75 -0.541 13.307 15.472 490 1HG2 VAL 75 1HG2 VAL 75 0.976 14.436 18.777 491 2HG2 VAL 75 2HG2 VAL 75 0.202 12.901 19.173 492 3HG2 VAL 75 3HG2 VAL 75 1.240 13.026 17.752 493 H LYS 76 H LYS 76 -0.646 17.002 19.798 494 HA LYS 76 HA LYS 76 0.732 18.788 17.912 495 1HB LYS 76 1HB LYS 76 -0.700 19.103 20.207 496 2HB LYS 76 2HB LYS 76 0.943 19.183 20.843 497 1HG LYS 76 2HG LYS 76 0.399 21.426 20.262 498 2HG LYS 76 1HG LYS 76 1.421 20.848 18.946 499 1HD LYS 76 2HD LYS 76 -0.303 21.714 17.688 500 2HD LYS 76 1HD LYS 76 -0.960 20.100 17.962 501 1HE LYS 76 1HE LYS 76 -2.216 20.951 19.927 502 2HE LYS 76 2HE LYS 76 -1.574 22.576 19.621 503 1HZ LYS 76 1HZ LYS 76 -2.478 22.405 17.344 504 2HZ LYS 76 2HZ LYS 76 -3.196 20.921 17.753 505 3HZ LYS 76 3HZ LYS 76 -3.695 22.348 18.526 506 H GLU 77 H GLU 77 1.629 16.066 19.757 507 HA GLU 77 HA GLU 77 4.392 16.210 19.003 508 1HB GLU 77 1HB GLU 77 3.648 17.915 21.100 509 2HB GLU 77 2HB GLU 77 4.425 16.547 21.897 510 1HG GLU 77 1HG GLU 77 5.970 17.175 19.587 511 2HG GLU 77 2HG GLU 77 5.654 18.689 20.434 512 H GLY 78 H GLY 78 5.689 14.485 20.207 513 1HA GLY 78 2HA GLY 78 4.201 12.556 21.818 514 2HA GLY 78 1HA GLY 78 5.869 12.379 21.269 515 H GLU 79 H GLU 79 4.214 10.180 21.101 516 HA GLU 79 HA GLU 79 3.116 10.043 18.353 517 1HB GLU 79 1HB GLU 79 5.413 9.654 17.891 518 2HB GLU 79 2HB GLU 79 5.623 8.680 19.345 519 1HG GLU 79 1HG GLU 79 4.411 6.854 18.426 520 2HG GLU 79 2HG GLU 79 3.738 7.849 17.134 521 H ILE 80 H ILE 80 1.476 8.527 18.267 522 HA ILE 80 HA ILE 80 0.972 6.912 20.722 523 HB ILE 80 HB ILE 80 -0.795 7.422 18.311 524 1HG1 ILE 80 1HG1 ILE 80 -0.748 8.994 20.899 525 2HG1 ILE 80 2HG1 ILE 80 0.063 9.534 19.429 526 1HG2 ILE 80 1HG2 ILE 80 -1.169 6.327 21.081 527 2HG2 ILE 80 2HG2 ILE 80 -2.507 7.170 20.302 528 3HG2 ILE 80 3HG2 ILE 80 -1.815 5.732 19.551 529 1HD1 ILE 80 1HD1 ILE 80 -2.837 8.737 19.341 530 2HD1 ILE 80 2HD1 ILE 80 -2.381 10.348 19.898 531 3HD1 ILE 80 3HD1 ILE 80 -1.953 9.824 18.270 532 H ASP 81 H ASP 81 -0.157 4.701 20.126 533 HA ASP 81 HA ASP 81 1.397 3.411 17.904 534 1HB ASP 81 1HB ASP 81 1.856 3.014 20.491 535 2HB ASP 81 2HB ASP 81 0.471 1.935 20.343 536 H MET 82 H MET 82 0.292 1.570 16.891 537 HA MET 82 HA MET 82 -2.593 1.215 17.470 538 1HB MET 82 1HB MET 82 -1.550 3.000 15.494 539 2HB MET 82 2HB MET 82 -2.308 1.649 14.652 540 1HG MET 82 1HG MET 82 -3.825 2.708 16.964 541 2HG MET 82 2HG MET 82 -3.686 3.803 15.589 542 1HE MET 82 1HE MET 82 -5.505 1.526 17.322 543 2HE MET 82 2HE MET 82 -6.691 2.509 16.468 544 3HE MET 82 3HE MET 82 -6.669 0.755 16.248 545 H ASP 83 H ASP 83 -3.219 -0.878 16.959 546 HA ASP 83 HA ASP 83 -1.326 -2.902 16.346 547 1HB ASP 83 1HB ASP 83 -3.957 -2.704 17.138 548 2HB ASP 83 2HB ASP 83 -4.115 -3.383 15.518 549 H MET 84 H MET 84 -1.344 -4.293 14.343 550 HA MET 84 HA MET 84 -0.696 -2.935 11.987 551 1HB MET 84 1HB MET 84 -1.310 -5.199 10.930 552 2HB MET 84 2HB MET 84 -0.159 -5.247 12.266 553 1HG MET 84 1HG MET 84 -1.588 -6.406 13.588 554 2HG MET 84 2HG MET 84 -2.952 -5.374 13.154 555 1HE MET 84 1HE MET 84 -1.474 -8.603 13.171 556 2HE MET 84 2HE MET 84 -3.183 -8.594 13.599 557 3HE MET 84 3HE MET 84 -2.628 -9.568 12.238 558 H GLN 85 H GLN 85 -1.956 -1.628 10.729 559 HA GLN 85 HA GLN 85 -4.547 -2.468 9.733 560 1HB GLN 85 1HB GLN 85 -5.826 -0.684 10.945 561 2HB GLN 85 2HB GLN 85 -5.166 -1.906 12.031 562 1HG GLN 85 2HG GLN 85 -4.206 -0.209 13.171 563 2HG GLN 85 1HG GLN 85 -3.116 -0.026 11.798 564 2HE2 GLN 85 2HE2 GLN 85 -3.025 2.308 11.900 565 1HE2 GLN 85 1HE2 GLN 85 -4.372 3.281 11.553 566 H GLN 86 H GLN 86 -5.563 0.214 9.329 567 HA GLN 86 HA GLN 86 -3.693 1.091 7.205 568 1HB GLN 86 1HB GLN 86 -6.539 1.772 7.996 569 2HB GLN 86 2HB GLN 86 -5.711 2.521 6.630 570 1HG GLN 86 2HG GLN 86 -6.217 -0.448 6.997 571 2HG GLN 86 1HG GLN 86 -7.049 0.611 5.859 572 2HE2 GLN 86 2HE2 GLN 86 -5.855 1.339 3.962 573 1HE2 GLN 86 1HE2 GLN 86 -4.374 0.636 3.518 574 H ILE 87 H ILE 87 -2.049 2.223 8.358 575 HA ILE 87 HA ILE 87 -2.642 4.200 10.402 576 HB ILE 87 HB ILE 87 -0.225 4.629 10.202 577 1HG1 ILE 87 1HG1 ILE 87 0.171 2.647 8.052 578 2HG1 ILE 87 2HG1 ILE 87 -0.600 4.144 7.529 579 1HG2 ILE 87 1HG2 ILE 87 -1.216 1.787 10.103 580 2HG2 ILE 87 2HG2 ILE 87 0.509 2.120 10.252 581 3HG2 ILE 87 3HG2 ILE 87 -0.610 2.701 11.485 582 1HD1 ILE 87 1HD1 ILE 87 1.360 5.153 9.111 583 2HD1 ILE 87 2HD1 ILE 87 2.153 3.685 8.537 584 3HD1 ILE 87 3HD1 ILE 87 1.563 4.877 7.380 585 H LEU 88 H LEU 88 -1.888 6.542 10.066 586 HA LEU 88 HA LEU 88 -3.199 7.630 7.667 587 1HB LEU 88 1HB LEU 88 -1.947 8.719 10.191 588 2HB LEU 88 2HB LEU 88 -2.501 9.793 8.907 589 HG LEU 88 HG LEU 88 -4.294 7.647 10.047 590 1HD1 LEU 88 1HD1 LEU 88 -3.437 9.175 11.866 591 2HD1 LEU 88 2HD1 LEU 88 -4.147 10.526 10.981 592 3HD1 LEU 88 3HD1 LEU 88 -5.182 9.250 11.621 593 1HD2 LEU 88 1HD2 LEU 88 -4.475 9.611 7.977 594 2HD2 LEU 88 2HD2 LEU 88 -5.716 8.478 8.512 595 3HD2 LEU 88 3HD2 LEU 88 -5.595 10.069 9.260 596 H SER 89 H SER 89 -1.788 9.826 6.984 597 HA SER 89 HA SER 89 0.820 8.718 6.009 598 1HB SER 89 2HB SER 89 -0.792 11.024 4.890 599 2HB SER 89 1HB SER 89 0.458 10.085 4.074 600 HG SER 89 HG SER 89 -2.199 9.546 4.427 601 H ASP 90 H ASP 90 2.696 9.969 6.289 602 HA ASP 90 HA ASP 90 3.051 11.614 8.500 603 1HB ASP 90 1HB ASP 90 4.398 11.203 5.873 604 2HB ASP 90 2HB ASP 90 4.932 12.577 6.841 605 H GLU 91 H GLU 91 2.355 12.697 5.172 606 HA GLU 91 HA GLU 91 2.377 15.484 5.588 607 1HB GLU 91 1HB GLU 91 0.804 15.473 3.628 608 2HB GLU 91 2HB GLU 91 2.190 14.407 3.401 609 1HG GLU 91 1HG GLU 91 0.858 12.467 4.032 610 2HG GLU 91 2HG GLU 91 -0.519 13.500 4.418 611 H GLU 92 H GLU 92 -0.030 13.084 6.473 612 HA GLU 92 HA GLU 92 -2.109 15.047 7.112 613 1HB GLU 92 1HB GLU 92 -1.697 12.089 7.639 614 2HB GLU 92 2HB GLU 92 -3.166 12.956 8.088 615 1HG GLU 92 1HG GLU 92 -2.903 13.748 5.499 616 2HG GLU 92 2HG GLU 92 -2.198 12.134 5.410 617 H VAL 93 H VAL 93 0.318 13.157 8.902 618 HA VAL 93 HA VAL 93 -0.580 14.139 11.509 619 HB VAL 93 HB VAL 93 0.603 11.916 10.791 620 1HG1 VAL 93 1HG1 VAL 93 2.584 13.665 10.010 621 2HG1 VAL 93 2HG1 VAL 93 3.160 13.131 11.587 622 3HG1 VAL 93 3HG1 VAL 93 2.823 11.946 10.325 623 1HG2 VAL 93 1HG2 VAL 93 1.038 13.583 13.236 624 2HG2 VAL 93 2HG2 VAL 93 0.184 12.049 13.063 625 3HG2 VAL 93 3HG2 VAL 93 1.948 12.081 13.077 626 H GLU 94 H GLU 94 1.531 15.260 9.004 627 HA GLU 94 HA GLU 94 3.069 17.030 10.817 628 1HB GLU 94 1HB GLU 94 3.129 16.132 7.966 629 2HB GLU 94 2HB GLU 94 3.886 17.678 8.347 630 1HG GLU 94 1HG GLU 94 4.480 15.091 9.814 631 2HG GLU 94 2HG GLU 94 5.462 15.725 8.493 632 H GLU 95 H GLU 95 0.748 17.307 8.110 633 HA GLU 95 HA GLU 95 0.521 20.231 8.568 634 1HB GLU 95 1HB GLU 95 0.731 19.164 6.299 635 2HB GLU 95 2HB GLU 95 -0.837 18.402 6.564 636 1HG GLU 95 1HG GLU 95 -1.945 20.309 6.073 637 2HG GLU 95 2HG GLU 95 -0.906 21.263 7.133 638 H LYS 96 H LYS 96 -1.164 17.270 9.290 639 HA LYS 96 HA LYS 96 -3.522 18.864 10.246 640 1HB LYS 96 1HB LYS 96 -3.320 16.742 8.419 641 2HB LYS 96 2HB LYS 96 -3.954 16.009 9.893 642 1HG LYS 96 1HG LYS 96 -5.779 17.590 9.976 643 2HG LYS 96 2HG LYS 96 -5.087 18.533 8.655 644 1HD LYS 96 1HD LYS 96 -5.965 17.157 7.089 645 2HD LYS 96 2HD LYS 96 -5.440 15.713 7.955 646 1HE LYS 96 1HE LYS 96 -7.481 16.712 9.565 647 2HE LYS 96 2HE LYS 96 -8.077 16.985 7.917 648 1HZ LYS 96 1HZ LYS 96 -6.733 14.453 8.612 649 2HZ LYS 96 2HZ LYS 96 -8.375 14.660 8.995 650 3HZ LYS 96 3HZ LYS 96 -7.861 14.760 7.379 651 H ASP 97 H ASP 97 -0.935 16.766 11.139 652 HA ASP 97 HA ASP 97 -0.401 15.706 13.192 653 1HB ASP 97 1HB ASP 97 -1.612 18.327 13.598 654 2HB ASP 97 2HB ASP 97 -1.870 17.277 14.993 655 H VAL 98 H VAL 98 -3.058 15.034 11.740 656 HA VAL 98 HA VAL 98 -4.951 14.343 13.834 657 HB VAL 98 HB VAL 98 -4.592 13.569 10.925 658 1HG1 VAL 98 1HG1 VAL 98 -6.899 13.017 12.817 659 2HG1 VAL 98 2HG1 VAL 98 -6.950 12.771 11.071 660 3HG1 VAL 98 3HG1 VAL 98 -5.855 11.811 12.065 661 1HG2 VAL 98 1HG2 VAL 98 -5.189 15.985 11.794 662 2HG2 VAL 98 2HG2 VAL 98 -6.082 15.295 10.439 663 3HG2 VAL 98 3HG2 VAL 98 -6.783 15.280 12.058 664 H ARG 99 H ARG 99 -5.311 12.292 14.750 665 HA ARG 99 HA ARG 99 -3.691 9.974 13.925 666 1HB ARG 99 1HB ARG 99 -2.494 11.708 15.589 667 2HB ARG 99 2HB ARG 99 -3.409 10.790 16.785 668 1HG ARG 99 1HG ARG 99 -2.115 8.940 16.523 669 2HG ARG 99 2HG ARG 99 -2.056 9.120 14.769 670 1HD ARG 99 1HD ARG 99 -0.414 11.031 15.122 671 2HD ARG 99 2HD ARG 99 -0.348 10.554 16.829 672 HE ARG 99 HE ARG 99 0.448 8.320 16.074 673 1HH1 ARG 99 1HH1 ARG 99 -0.524 9.621 13.227 674 2HH1 ARG 99 2HH1 ARG 99 0.979 9.443 12.384 675 1HH2 ARG 99 1HH2 ARG 99 2.782 8.623 15.231 676 2HH2 ARG 99 2HH2 ARG 99 2.850 8.877 13.518 677 H LEU 100 H LEU 100 -4.273 8.046 15.367 678 HA LEU 100 HA LEU 100 -7.178 8.099 15.904 679 1HB LEU 100 2HB LEU 100 -5.127 5.869 16.085 680 2HB LEU 100 1HB LEU 100 -6.878 5.677 16.000 681 HG LEU 100 HG LEU 100 -5.087 6.852 13.852 682 1HD1 LEU 100 1HD1 LEU 100 -6.016 4.188 14.443 683 2HD1 LEU 100 2HD1 LEU 100 -6.720 4.731 12.921 684 3HD1 LEU 100 3HD1 LEU 100 -4.969 4.724 13.129 685 1HD2 LEU 100 1HD2 LEU 100 -7.954 7.109 14.388 686 2HD2 LEU 100 2HD2 LEU 100 -6.942 8.003 13.253 687 3HD2 LEU 100 3HD2 LEU 100 -7.620 6.442 12.790 688 H THR 101 H THR 101 -8.011 8.288 17.947 689 HA THR 101 HA THR 101 -6.146 7.906 20.268 690 HB THR 101 HB THR 101 -8.497 9.763 19.798 691 HG1 THR 101 HG1 THR 101 -6.079 10.037 19.141 692 1HG2 THR 101 1HG2 THR 101 -8.478 8.891 22.122 693 2HG2 THR 101 2HG2 THR 101 -6.806 9.427 22.290 694 3HG2 THR 101 3HG2 THR 101 -8.092 10.611 22.059 695 H CYS 102 H CYS 102 -8.899 6.701 18.699 696 HA CYS 102 HA CYS 102 -10.518 5.901 20.946 697 1HB CYS 102 1HB CYS 102 -10.174 4.833 18.125 698 2HB CYS 102 2HB CYS 102 -11.486 4.364 19.206 699 H ILE 103 H ILE 103 -9.222 3.400 18.842 700 HA ILE 103 HA ILE 103 -8.426 1.827 21.226 701 HB ILE 103 HB ILE 103 -8.296 1.015 18.317 702 1HG1 ILE 103 2HG1 ILE 103 -10.505 2.044 18.694 703 2HG1 ILE 103 1HG1 ILE 103 -10.654 0.295 18.514 704 1HG2 ILE 103 1HG2 ILE 103 -8.464 -0.341 20.985 705 2HG2 ILE 103 2HG2 ILE 103 -9.161 -1.145 19.579 706 3HG2 ILE 103 3HG2 ILE 103 -7.448 -0.729 19.596 707 1HD1 ILE 103 1HD1 ILE 103 -10.442 0.243 21.109 708 2HD1 ILE 103 2HD1 ILE 103 -10.851 1.956 21.021 709 3HD1 ILE 103 3HD1 ILE 103 -11.978 0.747 20.406 710 H GLY 104 H GLY 104 -6.716 4.018 20.843 711 1HA GLY 104 2HA GLY 104 -4.562 4.463 19.619 712 2HA GLY 104 1HA GLY 104 -4.278 2.724 19.686 713 H SER 105 H SER 105 -2.332 2.950 20.868 714 HA SER 105 HA SER 105 -2.691 3.817 23.719 715 1HB SER 105 1HB SER 105 -2.319 1.523 23.805 716 2HB SER 105 2HB SER 105 -1.342 1.526 22.337 717 HG SER 105 HG SER 105 -0.067 1.223 24.201 718 HA PRO 106 HA PRO 106 0.492 6.750 22.838 719 1HB PRO 106 1HB PRO 106 1.193 7.346 25.415 720 2HB PRO 106 2HB PRO 106 -0.299 7.934 24.658 721 1HG PRO 106 2HG PRO 106 0.107 5.675 26.557 722 2HG PRO 106 1HG PRO 106 -1.219 6.842 26.460 723 1HD PRO 106 1HD PRO 106 -1.363 4.273 25.513 724 2HD PRO 106 2HD PRO 106 -2.342 5.617 24.888 725 H ALA 107 H ALA 107 2.792 6.767 22.738 726 HA ALA 107 HA ALA 107 4.139 4.358 23.915 727 1HB ALA 107 1HB ALA 107 4.031 5.590 21.249 728 2HB ALA 107 3HB ALA 107 5.671 5.222 21.782 729 3HB ALA 107 2HB ALA 107 4.461 3.942 21.704 730 H ALA 108 H ALA 108 4.407 7.818 23.228 731 HA ALA 108 HA ALA 108 7.085 8.021 24.432 732 1HB ALA 108 1HB ALA 108 7.066 9.921 23.206 733 2HB ALA 108 3HB ALA 108 5.457 9.465 22.644 734 3HB ALA 108 2HB ALA 108 5.634 10.508 24.056 735 H ASP 109 H ASP 109 7.493 9.320 26.366 736 HA ASP 109 HA ASP 109 5.761 8.771 28.576 737 1HB ASP 109 1HB ASP 109 8.034 10.713 28.086 738 2HB ASP 109 2HB ASP 109 7.296 10.497 29.673 739 H GLU 110 H GLU 110 6.427 11.878 26.911 740 HA GLU 110 HA GLU 110 3.783 12.873 27.928 741 1HB GLU 110 1HB GLU 110 6.406 13.816 28.285 742 2HB GLU 110 2HB GLU 110 5.695 14.900 27.088 743 1HG GLU 110 1HG GLU 110 3.645 14.617 28.911 744 2HG GLU 110 2HG GLU 110 5.073 14.597 29.947 745 H VAL 111 H VAL 111 2.378 12.752 26.196 746 HA VAL 111 HA VAL 111 3.401 13.611 23.509 747 HB VAL 111 HB VAL 111 1.117 11.757 24.262 748 1HG1 VAL 111 1HG1 VAL 111 1.308 13.140 21.968 749 2HG1 VAL 111 2HG1 VAL 111 2.384 11.802 21.562 750 3HG1 VAL 111 3HG1 VAL 111 0.709 11.483 22.013 751 1HG2 VAL 111 1HG2 VAL 111 3.382 10.875 24.833 752 2HG2 VAL 111 2HG2 VAL 111 2.604 9.952 23.549 753 3HG2 VAL 111 3HG2 VAL 111 3.870 11.116 23.156 754 H LYS 112 H LYS 112 2.313 15.291 22.504 755 HA LYS 112 HA LYS 112 0.068 16.552 24.014 756 1HB LYS 112 1HB LYS 112 1.800 17.581 21.744 757 2HB LYS 112 2HB LYS 112 0.714 18.542 22.747 758 1HG LYS 112 1HG LYS 112 2.272 17.274 24.632 759 2HG LYS 112 2HG LYS 112 3.425 17.559 23.330 760 1HD LYS 112 1HD LYS 112 1.590 19.696 24.449 761 2HD LYS 112 2HD LYS 112 3.254 19.456 24.984 762 1HE LYS 112 1HE LYS 112 4.141 20.079 22.872 763 2HE LYS 112 2HE LYS 112 2.583 19.845 22.057 764 1HZ LYS 112 1HZ LYS 112 1.893 21.575 23.952 765 2HZ LYS 112 2HZ LYS 112 3.503 22.060 23.717 766 3HZ LYS 112 3HZ LYS 112 2.415 22.064 22.413 767 H ILE 113 H ILE 113 -1.966 16.715 23.088 768 HA ILE 113 HA ILE 113 -2.375 16.326 20.205 769 HB ILE 113 HB ILE 113 -2.043 14.050 21.275 770 1HG1 ILE 113 1HG1 ILE 113 -3.366 14.445 19.169 771 2HG1 ILE 113 2HG1 ILE 113 -3.873 13.022 20.077 772 1HG2 ILE 113 1HG2 ILE 113 -3.649 15.094 23.258 773 2HG2 ILE 113 2HG2 ILE 113 -4.770 14.057 22.376 774 3HG2 ILE 113 3HG2 ILE 113 -3.287 13.381 23.047 775 1HD1 ILE 113 1HD1 ILE 113 -5.425 15.026 21.184 776 2HD1 ILE 113 2HD1 ILE 113 -5.357 15.485 19.482 777 3HD1 ILE 113 3HD1 ILE 113 -5.960 13.894 19.943 778 H VAL 114 H VAL 114 -4.386 17.164 19.562 779 HA VAL 114 HA VAL 114 -5.946 18.550 21.684 780 HB VAL 114 HB VAL 114 -6.060 18.693 18.653 781 1HG1 VAL 114 1HG1 VAL 114 -8.049 19.509 20.065 782 2HG1 VAL 114 2HG1 VAL 114 -6.962 20.759 20.666 783 3HG1 VAL 114 3HG1 VAL 114 -7.343 20.676 18.946 784 1HG2 VAL 114 1HG2 VAL 114 -4.449 20.202 20.714 785 2HG2 VAL 114 2HG2 VAL 114 -3.874 19.396 19.254 786 3HG2 VAL 114 3HG2 VAL 114 -4.801 20.892 19.130 787 H TYR 115 H TYR 115 -7.814 17.600 22.396 788 HA TYR 115 HA TYR 115 -8.946 15.313 20.912 789 1HB TYR 115 2HB TYR 115 -9.470 14.654 23.014 790 2HB TYR 115 1HB TYR 115 -8.570 16.054 23.582 791 HD1 TYR 115 HD1 TYR 115 -9.802 18.242 23.977 792 HD2 TYR 115 HD2 TYR 115 -11.833 14.527 23.242 793 HE1 TYR 115 HE1 TYR 115 -11.889 19.201 24.901 794 HE2 TYR 115 HE2 TYR 115 -13.922 15.489 24.169 795 HH TYR 115 HH TYR 115 -13.982 18.405 25.922 796 H ASN 116 H ASN 116 -11.260 15.224 20.402 797 HA ASN 116 HA ASN 116 -13.304 16.121 19.614 798 1HB ASN 116 1HB ASN 116 -12.551 17.628 21.817 799 2HB ASN 116 2HB ASN 116 -12.791 18.850 20.567 800 2HD2 ASN 116 2HD2 ASN 116 -14.682 19.143 22.390 801 1HD2 ASN 116 1HD2 ASN 116 -16.149 18.396 21.974 802 H ALA 117 H ALA 117 -10.758 16.263 18.083 803 HA ALA 117 HA ALA 117 -10.486 18.773 16.728 804 1HB ALA 117 1HB ALA 117 -9.136 16.438 16.836 805 2HB ALA 117 3HB ALA 117 -8.912 17.597 15.525 806 3HB ALA 117 2HB ALA 117 -9.976 16.207 15.303 807 H LYS 118 H LYS 118 -12.890 16.293 16.520 808 HA LYS 118 HA LYS 118 -13.761 16.459 13.840 809 1HB LYS 118 2HB LYS 118 -15.930 15.750 14.811 810 2HB LYS 118 1HB LYS 118 -14.588 14.892 15.567 811 1HG LYS 118 1HG LYS 118 -14.831 16.000 17.574 812 2HG LYS 118 2HG LYS 118 -15.441 17.468 16.809 813 1HD LYS 118 1HD LYS 118 -17.066 14.931 16.767 814 2HD LYS 118 2HD LYS 118 -17.107 15.999 18.170 815 1HE LYS 118 1HE LYS 118 -17.579 17.896 16.453 816 2HE LYS 118 2HE LYS 118 -17.989 16.579 15.338 817 H HIS 119 H HIS 119 -13.847 18.856 16.333 818 HA HIS 119 HA HIS 119 -16.073 20.418 15.308 819 1HB HIS 119 1HB HIS 119 -13.725 21.012 17.138 820 2HB HIS 119 2HB HIS 119 -15.078 22.115 16.884 821 HD1 HIS 119 HD1 HIS 119 -17.502 20.436 17.038 822 HD2 HIS 119 HD2 HIS 119 -14.227 19.689 19.508 823 HE1 HIS 119 HE1 HIS 119 -18.382 19.124 19.018 824 H LEU 120 H LEU 120 -12.768 20.021 14.373 825 HA LEU 120 HA LEU 120 -11.914 22.455 13.371 826 1HB LEU 120 1HB LEU 120 -11.420 19.695 12.966 827 2HB LEU 120 2HB LEU 120 -11.585 20.405 11.363 828 HG LEU 120 HG LEU 120 -9.970 21.950 13.321 829 1HD1 LEU 120 1HD1 LEU 120 -9.297 19.564 13.711 830 2HD1 LEU 120 2HD1 LEU 120 -8.891 19.443 11.999 831 3HD1 LEU 120 3HD1 LEU 120 -8.001 20.554 13.040 832 1HD2 LEU 120 1HD2 LEU 120 -9.717 21.194 10.395 833 2HD2 LEU 120 2HD2 LEU 120 -10.235 22.750 11.043 834 3HD2 LEU 120 3HD2 LEU 120 -8.566 22.220 11.252 835 H ASP 121 H ASP 121 -12.517 23.817 11.689 836 HA ASP 121 HA ASP 121 -15.142 23.424 10.459 837 1HB ASP 121 1HB ASP 121 -14.465 25.625 11.152 838 2HB ASP 121 2HB ASP 121 -12.942 25.498 10.272 839 H TYR 122 H TYR 122 -11.771 23.070 9.497 840 HA TYR 122 HA TYR 122 -12.308 22.870 6.638 841 1HB TYR 122 1HB TYR 122 -10.158 23.610 7.491 842 2HB TYR 122 2HB TYR 122 -9.977 22.131 8.435 843 HD1 TYR 122 HD1 TYR 122 -10.856 22.988 4.879 844 HD2 TYR 122 HD2 TYR 122 -8.458 20.618 7.542 845 HE1 TYR 122 HE1 TYR 122 -9.792 21.877 2.934 846 HE2 TYR 122 HE2 TYR 122 -7.396 19.507 5.597 847 HH TYR 122 HH TYR 122 -8.465 19.238 2.823 848 H LEU 123 H LEU 123 -12.695 20.749 9.301 849 HA LEU 123 HA LEU 123 -12.504 18.318 7.571 850 1HB LEU 123 1HB LEU 123 -11.535 18.879 10.054 851 2HB LEU 123 2HB LEU 123 -13.078 18.135 10.476 852 HG LEU 123 HG LEU 123 -11.451 16.776 8.381 853 1HD1 LEU 123 1HD1 LEU 123 -9.993 17.560 10.453 854 2HD1 LEU 123 2HD1 LEU 123 -10.800 16.210 11.251 855 3HD1 LEU 123 3HD1 LEU 123 -9.827 15.927 9.808 856 1HD2 LEU 123 1HD2 LEU 123 -13.660 15.938 9.139 857 2HD2 LEU 123 2HD2 LEU 123 -12.371 14.791 9.502 858 3HD2 LEU 123 3HD2 LEU 123 -13.033 15.806 10.782 859 H GLN 124 H GLN 124 -14.734 20.180 9.605 860 HA GLN 124 HA GLN 124 -16.930 18.306 9.477 861 1HB GLN 124 1HB GLN 124 -16.642 20.070 11.184 862 2HB GLN 124 2HB GLN 124 -16.827 21.305 9.938 863 1HG GLN 124 1HG GLN 124 -19.099 20.821 9.615 864 2HG GLN 124 2HG GLN 124 -18.952 19.208 10.312 865 2HE2 GLN 124 2HE2 GLN 124 -17.376 21.857 11.979 866 1HE2 GLN 124 1HE2 GLN 124 -18.482 21.964 13.263 867 H ASN 125 H ASN 125 -15.738 20.808 7.331 868 HA ASN 125 HA ASN 125 -18.111 21.296 5.807 869 1HB ASN 125 1HB ASN 125 -15.205 21.727 5.656 870 2HB ASN 125 2HB ASN 125 -15.973 21.580 4.076 871 2HD2 ASN 125 2HD2 ASN 125 -15.702 23.904 3.659 872 1HD2 ASN 125 1HD2 ASN 125 -16.659 25.053 4.461 873 H ARG 126 H ARG 126 -16.209 18.479 6.088 874 HA ARG 126 HA ARG 126 -16.277 17.393 3.458 875 1HB ARG 126 1HB ARG 126 -14.976 16.507 5.351 876 2HB ARG 126 2HB ARG 126 -16.467 16.074 6.186 877 1HG ARG 126 2HG ARG 126 -15.834 14.051 5.169 878 2HG ARG 126 1HG ARG 126 -17.000 14.715 4.024 879 1HD ARG 126 1HD ARG 126 -14.922 15.819 2.892 880 2HD ARG 126 2HD ARG 126 -13.992 14.614 3.803 881 HE ARG 126 HE ARG 126 -16.299 13.803 2.069 882 1HH1 ARG 126 1HH1 ARG 126 -14.782 11.789 3.728 883 2HH1 ARG 126 2HH1 ARG 126 -13.670 11.144 2.567 884 1HH2 ARG 126 1HH2 ARG 126 -14.113 13.737 0.308 885 2HH2 ARG 126 2HH2 ARG 126 -13.292 12.246 0.630 886 H VAL 127 H VAL 127 -18.752 17.574 5.972 887 HA VAL 127 HA VAL 127 -20.583 15.718 4.651 888 HB VAL 127 HB VAL 127 -22.145 16.689 6.407 889 1HG1 VAL 127 1HG1 VAL 127 -19.921 14.995 6.661 890 2HG1 VAL 127 2HG1 VAL 127 -19.828 16.082 8.046 891 3HG1 VAL 127 3HG1 VAL 127 -21.282 15.122 7.776 892 1HG2 VAL 127 1HG2 VAL 127 -20.262 18.780 6.335 893 2HG2 VAL 127 2HG2 VAL 127 -21.615 18.614 7.452 894 3HG2 VAL 127 3HG2 VAL 127 -20.026 17.991 7.894 895 H ILE 128 H ILE 128 -20.883 16.577 2.512 896 HA ILE 128 HA ILE 128 -21.793 19.353 2.155 897 HB ILE 128 HB ILE 128 -21.684 18.763 -0.188 898 1HG1 ILE 128 1HG1 ILE 128 -21.453 15.877 0.717 899 2HG1 ILE 128 2HG1 ILE 128 -22.923 16.602 0.064 900 1HG2 ILE 128 1HG2 ILE 128 -19.549 18.617 1.485 901 2HG2 ILE 128 2HG2 ILE 128 -19.489 17.009 0.762 902 3HG2 ILE 128 3HG2 ILE 128 -19.422 18.442 -0.265 903 1HD1 ILE 128 1HD1 ILE 128 -20.291 16.644 -1.429 904 2HD1 ILE 128 2HD1 ILE 128 -21.461 15.336 -1.611 905 3HD1 ILE 128 3HD1 ILE 128 -21.902 16.983 -2.063 No H/Q in entry = 905 Start of MODEL 4 1 H2 PRO 1 H2 PRO 1 3.260 7.830 31.268 2 H3 PRO 1 H3 PRO 1 4.268 6.932 30.232 3 HA PRO 1 HA PRO 1 2.838 7.308 28.589 4 1HB PRO 1 1HB PRO 1 0.506 6.059 29.289 5 2HB PRO 1 2HB PRO 1 1.975 5.177 28.825 6 1HG PRO 1 2HG PRO 1 0.874 5.746 31.536 7 2HG PRO 1 1HG PRO 1 1.633 4.273 30.916 8 1HD PRO 1 1HD PRO 1 2.930 6.078 32.488 9 2HD PRO 1 2HD PRO 1 3.754 5.060 31.290 10 H THR 2 H THR 2 2.928 9.641 29.871 11 HA THR 2 HA THR 2 0.187 10.448 30.699 12 HB THR 2 HB THR 2 2.950 11.676 30.797 13 HG1 THR 2 HG1 THR 2 1.881 10.077 32.360 14 1HG2 THR 2 1HG2 THR 2 0.274 12.960 31.024 15 2HG2 THR 2 2HG2 THR 2 1.488 13.427 32.216 16 3HG2 THR 2 3HG2 THR 2 1.810 13.646 30.496 17 H VAL 3 H VAL 3 -1.038 11.917 29.483 18 HA VAL 3 HA VAL 3 0.185 13.029 26.993 19 HB VAL 3 HB VAL 3 -2.463 11.558 27.171 20 1HG1 VAL 3 1HG1 VAL 3 -1.085 13.157 25.119 21 2HG1 VAL 3 2HG1 VAL 3 -1.620 11.577 24.548 22 3HG1 VAL 3 3HG1 VAL 3 -2.787 12.706 25.238 23 1HG2 VAL 3 1HG2 VAL 3 0.288 10.666 26.282 24 2HG2 VAL 3 2HG2 VAL 3 -0.752 9.919 27.494 25 3HG2 VAL 3 3HG2 VAL 3 -1.184 9.832 25.786 26 H GLU 4 H GLU 4 -0.307 15.184 26.872 27 HA GLU 4 HA GLU 4 -2.368 16.325 28.651 28 1HB GLU 4 1HB GLU 4 0.096 17.110 27.844 29 2HB GLU 4 2HB GLU 4 -0.889 17.961 26.654 30 1HG GLU 4 1HG GLU 4 -0.716 19.477 28.472 31 2HG GLU 4 2HG GLU 4 -2.311 18.745 28.658 32 H TYR 5 H TYR 5 -4.457 16.406 27.910 33 HA TYR 5 HA TYR 5 -4.971 16.421 24.984 34 1HB TYR 5 1HB TYR 5 -7.270 15.897 25.723 35 2HB TYR 5 2HB TYR 5 -6.105 14.817 26.487 36 HD1 TYR 5 HD1 TYR 5 -8.266 17.781 27.002 37 HD2 TYR 5 HD2 TYR 5 -5.694 14.887 28.862 38 HE1 TYR 5 HE1 TYR 5 -9.054 18.516 29.236 39 HE2 TYR 5 HE2 TYR 5 -6.483 15.622 31.096 40 HH TYR 5 HH TYR 5 -9.106 17.103 31.720 41 H LEU 6 H LEU 6 -5.769 18.200 23.926 42 HA LEU 6 HA LEU 6 -6.633 20.562 25.564 43 1HB LEU 6 1HB LEU 6 -4.321 20.222 23.975 44 2HB LEU 6 2HB LEU 6 -5.398 21.253 23.034 45 HG LEU 6 HG LEU 6 -4.545 21.724 25.909 46 1HD1 LEU 6 1HD1 LEU 6 -3.100 22.207 23.635 47 2HD1 LEU 6 2HD1 LEU 6 -3.997 23.717 23.797 48 3HD1 LEU 6 3HD1 LEU 6 -2.965 23.159 25.114 49 1HD2 LEU 6 1HD2 LEU 6 -6.926 22.456 24.869 50 2HD2 LEU 6 2HD2 LEU 6 -6.043 23.459 26.020 51 3HD2 LEU 6 3HD2 LEU 6 -5.938 23.799 24.293 52 H ASN 7 H ASN 7 -8.718 21.090 25.014 53 HA ASN 7 HA ASN 7 -10.225 19.890 22.940 54 1HB ASN 7 1HB ASN 7 -11.788 21.792 23.422 55 2HB ASN 7 2HB ASN 7 -11.184 21.013 24.884 56 2HD2 ASN 7 2HD2 ASN 7 -12.086 23.610 25.179 57 1HD2 ASN 7 1HD2 ASN 7 -10.778 24.674 25.379 58 H TYR 8 H TYR 8 -10.257 20.250 20.758 59 HA TYR 8 HA TYR 8 -8.461 21.964 19.390 60 1HB TYR 8 1HB TYR 8 -9.449 20.115 18.262 61 2HB TYR 8 2HB TYR 8 -11.080 20.618 18.703 62 HD1 TYR 8 HD1 TYR 8 -8.224 21.228 16.458 63 HD2 TYR 8 HD2 TYR 8 -12.203 22.441 17.529 64 HE1 TYR 8 HE1 TYR 8 -8.401 22.517 14.346 65 HE2 TYR 8 HE2 TYR 8 -12.380 23.727 15.417 66 HH TYR 8 HH TYR 8 -9.899 24.667 13.624 67 H GLU 9 H GLU 9 -11.460 22.667 20.966 68 HA GLU 9 HA GLU 9 -12.308 24.959 19.457 69 1HB GLU 9 1HB GLU 9 -12.831 23.625 22.028 70 2HB GLU 9 2HB GLU 9 -13.111 25.365 22.069 71 1HG GLU 9 1HG GLU 9 -14.827 25.264 20.527 72 2HG GLU 9 2HG GLU 9 -14.157 23.847 19.718 73 H THR 10 H THR 10 -10.235 24.639 22.355 74 HA THR 10 HA THR 10 -9.758 27.414 22.792 75 HB THR 10 HB THR 10 -8.219 24.864 23.325 76 HG1 THR 10 HG1 THR 10 -8.896 25.410 25.462 77 1HG2 THR 10 1HG2 THR 10 -7.209 27.553 23.362 78 2HG2 THR 10 2HG2 THR 10 -7.302 26.947 25.015 79 3HG2 THR 10 3HG2 THR 10 -6.380 26.059 23.802 80 H LEU 11 H LEU 11 -8.208 25.070 20.632 81 HA LEU 11 HA LEU 11 -5.987 26.715 19.833 82 1HB LEU 11 1HB LEU 11 -6.768 24.139 19.515 83 2HB LEU 11 2HB LEU 11 -7.209 24.778 17.933 84 HG LEU 11 HG LEU 11 -4.955 24.038 17.705 85 1HD1 LEU 11 1HD1 LEU 11 -5.411 26.324 16.812 86 2HD1 LEU 11 2HD1 LEU 11 -4.822 27.004 18.329 87 3HD1 LEU 11 3HD1 LEU 11 -3.724 26.106 17.281 88 1HD2 LEU 11 1HD2 LEU 11 -4.632 23.942 20.242 89 2HD2 LEU 11 2HD2 LEU 11 -3.225 24.436 19.301 90 3HD2 LEU 11 3HD2 LEU 11 -4.189 25.646 20.147 91 H ASP 12 H ASP 12 -9.225 26.179 18.415 92 HA ASP 12 HA ASP 12 -8.767 28.077 16.236 93 1HB ASP 12 1HB ASP 12 -10.594 26.014 16.996 94 2HB ASP 12 2HB ASP 12 -11.532 27.478 16.707 95 H ASP 13 H ASP 13 -11.140 28.035 18.927 96 HA ASP 13 HA ASP 13 -12.172 30.590 18.769 97 1HB ASP 13 1HB ASP 13 -12.702 28.788 20.431 98 2HB ASP 13 2HB ASP 13 -11.223 29.204 21.297 99 H GLN 14 H GLN 14 -9.167 29.736 20.535 100 HA GLN 14 HA GLN 14 -8.487 32.502 21.096 101 1HB GLN 14 2HB GLN 14 -6.762 30.005 21.072 102 2HB GLN 14 1HB GLN 14 -6.450 31.489 21.971 103 1HG GLN 14 1HG GLN 14 -9.095 30.227 22.438 104 2HG GLN 14 2HG GLN 14 -7.700 29.338 23.049 105 2HE2 GLN 14 2HE2 GLN 14 -7.823 29.832 25.287 106 1HE2 GLN 14 1HE2 GLN 14 -7.782 31.413 25.904 107 H GLY 15 H GLY 15 -7.588 30.155 18.587 108 1HA GLY 15 2HA GLY 15 -6.727 32.317 16.824 109 2HA GLY 15 1HA GLY 15 -6.711 30.597 16.437 110 H TRP 16 H TRP 16 -5.081 29.481 18.271 111 HA TRP 16 HA TRP 16 -2.535 31.062 18.179 112 1HB TRP 16 1HB TRP 16 -3.926 29.452 20.153 113 2HB TRP 16 2HB TRP 16 -2.293 28.840 19.893 114 HD1 TRP 16 HD1 TRP 16 -0.516 31.205 19.563 115 HE1 TRP 16 HE1 TRP 16 -0.248 33.044 21.352 116 HE3 TRP 16 HE3 TRP 16 -4.854 30.535 22.173 117 HZ2 TRP 16 HZ2 TRP 16 -1.686 34.091 23.593 118 HZ3 TRP 16 HZ3 TRP 16 -5.379 31.965 24.128 119 HH2 TRP 16 HH2 TRP 16 -3.802 33.740 24.841 120 H ASP 17 H ASP 17 -0.685 29.096 18.470 121 HA ASP 17 HA ASP 17 -0.888 27.626 15.891 122 1HB ASP 17 1HB ASP 17 1.035 29.179 16.811 123 2HB ASP 17 2HB ASP 17 1.518 27.730 17.691 124 H MET 18 H MET 18 0.758 25.485 16.317 125 HA MET 18 HA MET 18 -0.932 23.654 17.828 126 1HB MET 18 1HB MET 18 1.743 23.414 16.417 127 2HB MET 18 2HB MET 18 0.855 22.039 17.073 128 1HG MET 18 1HG MET 18 -0.891 22.264 15.524 129 2HG MET 18 2HG MET 18 -0.505 23.953 15.190 130 1HE MET 18 1HE MET 18 -1.064 23.286 12.967 131 2HE MET 18 2HE MET 18 0.090 22.713 11.765 132 3HE MET 18 3HE MET 18 -0.864 21.555 12.703 133 H ASP 19 H ASP 19 2.390 24.919 18.224 134 HA ASP 19 HA ASP 19 2.180 24.366 21.147 135 1HB ASP 19 1HB ASP 19 4.039 23.186 19.124 136 2HB ASP 19 2HB ASP 19 4.697 23.554 20.718 137 H ASP 20 H ASP 20 2.398 26.728 19.109 138 HA ASP 20 HA ASP 20 4.927 28.026 19.569 139 1HB ASP 20 1HB ASP 20 3.239 28.465 17.750 140 2HB ASP 20 2HB ASP 20 2.209 29.227 18.961 141 H ASP 21 H ASP 21 1.721 29.009 20.837 142 HA ASP 21 HA ASP 21 2.955 30.494 23.036 143 1HB ASP 21 1HB ASP 21 0.808 30.967 21.667 144 2HB ASP 21 2HB ASP 21 0.045 29.761 22.701 145 H ASP 22 H ASP 22 2.740 27.279 22.665 146 HA ASP 22 HA ASP 22 2.492 25.442 24.138 147 1HB ASP 22 1HB ASP 22 3.684 27.755 25.623 148 2HB ASP 22 2HB ASP 22 3.281 26.302 26.537 149 H LEU 23 H LEU 23 0.019 26.477 23.623 150 HA LEU 23 HA LEU 23 -1.608 27.581 25.567 151 1HB LEU 23 1HB LEU 23 -2.049 25.239 23.696 152 2HB LEU 23 2HB LEU 23 -3.361 26.012 24.586 153 HG LEU 23 HG LEU 23 -1.483 27.391 22.642 154 1HD1 LEU 23 1HD1 LEU 23 -3.851 25.870 22.229 155 2HD1 LEU 23 2HD1 LEU 23 -4.273 27.565 21.986 156 3HD1 LEU 23 3HD1 LEU 23 -2.970 26.837 21.047 157 1HD2 LEU 23 1HD2 LEU 23 -3.352 28.357 24.700 158 2HD2 LEU 23 2HD2 LEU 23 -2.052 29.215 23.871 159 3HD2 LEU 23 3HD2 LEU 23 -3.632 29.053 23.103 160 H PHE 24 H PHE 24 -0.329 24.269 25.507 161 HA PHE 24 HA PHE 24 -1.868 23.122 27.590 162 1HB PHE 24 1HB PHE 24 0.955 22.768 26.573 163 2HB PHE 24 2HB PHE 24 0.315 21.753 27.865 164 HD1 PHE 24 HD1 PHE 24 -2.184 20.854 27.353 165 HD2 PHE 24 HD2 PHE 24 0.729 21.970 24.401 166 HE1 PHE 24 HE1 PHE 24 -3.351 19.453 25.673 167 HE2 PHE 24 HE2 PHE 24 -0.438 20.569 22.720 168 HZ PHE 24 HZ PHE 24 -2.479 19.311 23.355 169 H GLU 25 H GLU 25 0.574 25.579 27.704 170 HA GLU 25 HA GLU 25 0.891 25.252 30.659 171 1HB GLU 25 1HB GLU 25 2.429 26.503 28.406 172 2HB GLU 25 2HB GLU 25 2.682 27.106 30.043 173 1HG GLU 25 1HG GLU 25 3.170 24.795 30.802 174 2HG GLU 25 2HG GLU 25 2.960 24.219 29.149 175 H LYS 26 H LYS 26 0.092 27.693 28.169 176 HA LYS 26 HA LYS 26 -0.552 29.772 30.094 177 1HB LYS 26 1HB LYS 26 -0.238 29.417 27.285 178 2HB LYS 26 2HB LYS 26 -1.844 30.100 27.547 179 1HG LYS 26 2HG LYS 26 0.758 31.210 28.646 180 2HG LYS 26 1HG LYS 26 -0.178 31.895 27.317 181 1HD LYS 26 1HD LYS 26 -2.070 31.643 29.317 182 2HD LYS 26 2HD LYS 26 -0.620 32.099 30.214 183 1HE LYS 26 1HE LYS 26 -0.888 33.668 27.766 184 2HE LYS 26 2HE LYS 26 -2.298 33.854 28.826 185 1HZ LYS 26 1HZ LYS 26 -0.732 34.149 30.697 186 2HZ LYS 26 2HZ LYS 26 0.563 34.127 29.599 187 3HZ LYS 26 3HZ LYS 26 -0.587 35.374 29.531 188 H ALA 27 H ALA 27 -2.263 27.053 28.766 189 HA ALA 27 HA ALA 27 -4.961 27.983 29.015 190 1HB ALA 27 1HB ALA 27 -4.687 26.009 27.806 191 2HB ALA 27 3HB ALA 27 -5.221 25.361 29.357 192 3HB ALA 27 2HB ALA 27 -3.506 25.359 28.943 193 H ALA 28 H ALA 28 -2.618 26.840 31.361 194 HA ALA 28 HA ALA 28 -4.494 26.240 33.488 195 1HB ALA 28 1HB ALA 28 -1.619 26.359 32.979 196 2HB ALA 28 3HB ALA 28 -2.023 26.922 34.600 197 3HB ALA 28 2HB ALA 28 -2.512 25.310 34.079 198 H ASP 29 H ASP 29 -3.349 29.171 32.117 199 HA ASP 29 HA ASP 29 -3.566 30.801 34.544 200 1HB ASP 29 1HB ASP 29 -2.584 30.987 31.852 201 2HB ASP 29 2HB ASP 29 -3.680 32.337 32.145 202 H ALA 30 H ALA 30 -5.596 29.990 31.769 203 HA ALA 30 HA ALA 30 -7.695 31.901 32.578 204 1HB ALA 30 1HB ALA 30 -7.117 30.025 30.316 205 2HB ALA 30 3HB ALA 30 -8.784 30.549 30.563 206 3HB ALA 30 2HB ALA 30 -7.519 31.742 30.264 207 H GLY 31 H GLY 31 -7.452 28.368 32.116 208 1HA GLY 31 2HA GLY 31 -9.398 28.028 34.345 209 2HA GLY 31 1HA GLY 31 -8.287 26.784 33.771 210 H LEU 32 H LEU 32 -8.692 26.086 31.423 211 HA LEU 32 HA LEU 32 -11.398 26.488 30.367 212 1HB LEU 32 1HB LEU 32 -9.229 24.532 29.547 213 2HB LEU 32 2HB LEU 32 -10.555 25.123 28.548 214 HG LEU 32 HG LEU 32 -8.582 27.042 29.778 215 1HD1 LEU 32 1HD1 LEU 32 -7.815 25.003 28.049 216 2HD1 LEU 32 2HD1 LEU 32 -8.094 26.373 26.973 217 3HD1 LEU 32 3HD1 LEU 32 -6.947 26.516 28.306 218 1HD2 LEU 32 1HD2 LEU 32 -10.483 27.058 27.425 219 2HD2 LEU 32 2HD2 LEU 32 -10.517 28.095 28.851 220 3HD2 LEU 32 3HD2 LEU 32 -9.243 28.292 27.647 221 H ASP 33 H ASP 33 -12.707 24.460 29.791 222 HA ASP 33 HA ASP 33 -13.520 23.035 32.084 223 1HB ASP 33 1HB ASP 33 -14.180 23.257 29.368 224 2HB ASP 33 2HB ASP 33 -13.847 21.542 29.604 225 H GLY 34 H GLY 34 -12.985 20.963 32.900 226 1HA GLY 34 2HA GLY 34 -11.551 19.166 33.388 227 2HA GLY 34 1HA GLY 34 -10.284 20.074 32.561 228 H GLU 35 H GLU 35 -13.308 19.165 31.018 229 HA GLU 35 HA GLU 35 -12.198 16.802 29.696 230 1HB GLU 35 2HB GLU 35 -14.392 16.696 28.710 231 2HB GLU 35 1HB GLU 35 -14.617 17.265 30.364 232 1HG GLU 35 1HG GLU 35 -14.463 19.642 29.374 233 2HG GLU 35 2HG GLU 35 -14.694 18.869 27.806 234 H ASP 36 H ASP 36 -11.512 19.985 29.297 235 HA ASP 36 HA ASP 36 -11.267 19.766 26.312 236 1HB ASP 36 1HB ASP 36 -12.007 21.905 28.239 237 2HB ASP 36 2HB ASP 36 -11.008 22.410 26.875 238 H TYR 37 H TYR 37 -9.660 21.052 29.245 239 HA TYR 37 HA TYR 37 -7.035 20.583 27.878 240 1HB TYR 37 1HB TYR 37 -7.314 22.902 27.684 241 2HB TYR 37 2HB TYR 37 -8.192 23.020 29.207 242 HD1 TYR 37 HD1 TYR 37 -4.815 21.937 27.959 243 HD2 TYR 37 HD2 TYR 37 -7.070 23.917 31.034 244 HE1 TYR 37 HE1 TYR 37 -2.709 22.503 29.141 245 HE2 TYR 37 HE2 TYR 37 -4.963 24.481 32.215 246 HH TYR 37 HH TYR 37 -2.011 23.038 31.493 247 H GLY 38 H GLY 38 -5.640 19.431 29.161 248 1HA GLY 38 2HA GLY 38 -6.468 18.585 31.817 249 2HA GLY 38 1HA GLY 38 -5.117 19.715 31.871 250 H THR 39 H THR 39 -4.399 17.395 32.853 251 HA THR 39 HA THR 39 -2.678 16.206 30.746 252 HB THR 39 HB THR 39 -2.633 15.486 33.661 253 HG1 THR 39 HG1 THR 39 -2.753 17.641 33.860 254 1HG2 THR 39 1HG2 THR 39 -1.027 14.919 31.488 255 2HG2 THR 39 2HG2 THR 39 -0.176 16.258 32.259 256 3HG2 THR 39 3HG2 THR 39 -0.534 14.794 33.177 257 H MET 40 H MET 40 -2.963 14.106 30.023 258 HA MET 40 HA MET 40 -5.320 12.616 31.074 259 1HB MET 40 1HB MET 40 -4.593 13.287 28.571 260 2HB MET 40 2HB MET 40 -3.750 11.743 28.694 261 1HG MET 40 1HG MET 40 -5.866 10.652 29.375 262 2HG MET 40 2HG MET 40 -6.704 12.197 29.220 263 1HE MET 40 1HE MET 40 -5.798 9.161 28.119 264 2HE MET 40 2HE MET 40 -6.496 9.005 26.501 265 3HE MET 40 3HE MET 40 -4.778 9.341 26.695 266 H GLU 41 H GLU 41 -5.098 10.305 31.499 267 HA GLU 41 HA GLU 41 -2.293 9.429 32.109 268 1HB GLU 41 1HB GLU 41 -4.804 9.526 33.735 269 2HB GLU 41 2HB GLU 41 -3.696 8.184 34.016 270 1HG GLU 41 1HG GLU 41 -2.873 9.790 35.501 271 2HG GLU 41 2HG GLU 41 -1.869 10.074 34.080 272 H VAL 42 H VAL 42 -1.991 7.889 30.489 273 HA VAL 42 HA VAL 42 -4.195 5.918 30.014 274 HB VAL 42 HB VAL 42 -1.735 6.473 28.340 275 1HG1 VAL 42 1HG1 VAL 42 -3.559 4.458 28.168 276 2HG1 VAL 42 2HG1 VAL 42 -4.328 5.679 27.155 277 3HG1 VAL 42 3HG1 VAL 42 -2.700 5.119 26.777 278 1HG2 VAL 42 1HG2 VAL 42 -3.933 8.224 28.891 279 2HG2 VAL 42 2HG2 VAL 42 -2.601 8.466 27.760 280 3HG2 VAL 42 3HG2 VAL 42 -4.076 7.660 27.225 281 H ALA 43 H ALA 43 -3.865 3.845 30.724 282 HA ALA 43 HA ALA 43 -1.346 3.105 32.019 283 1HB ALA 43 1HB ALA 43 -4.114 2.274 31.903 284 2HB ALA 43 3HB ALA 43 -3.061 0.877 31.687 285 3HB ALA 43 2HB ALA 43 -2.900 1.887 33.122 286 H GLU 44 H GLU 44 0.350 2.169 30.946 287 HA GLU 44 HA GLU 44 0.646 1.725 28.245 288 1HB GLU 44 1HB GLU 44 2.352 0.006 28.964 289 2HB GLU 44 2HB GLU 44 2.455 1.530 29.847 290 1HG GLU 44 1HG GLU 44 1.954 0.525 31.808 291 2HG GLU 44 2HG GLU 44 0.586 -0.332 31.097 292 H GLY 45 H GLY 45 -0.621 0.558 26.860 293 1HA GLY 45 2HA GLY 45 -1.488 -2.163 27.724 294 2HA GLY 45 1HA GLY 45 -1.271 -1.663 26.046 295 H GLU 46 H GLU 46 -2.681 0.933 27.441 296 HA GLU 46 HA GLU 46 -5.458 -0.104 26.968 297 1HB GLU 46 1HB GLU 46 -4.241 1.891 28.871 298 2HB GLU 46 2HB GLU 46 -5.959 1.968 28.481 299 1HG GLU 46 1HG GLU 46 -5.356 -0.758 28.997 300 2HG GLU 46 2HG GLU 46 -4.609 0.181 30.288 301 H TYR 47 H TYR 47 -6.467 0.789 25.214 302 HA TYR 47 HA TYR 47 -5.294 2.624 23.420 303 1HB TYR 47 2HB TYR 47 -8.254 2.247 23.962 304 2HB TYR 47 1HB TYR 47 -7.496 2.668 22.426 305 HD1 TYR 47 HD1 TYR 47 -5.370 0.905 21.956 306 HD2 TYR 47 HD2 TYR 47 -9.050 0.064 24.006 307 HE1 TYR 47 HE1 TYR 47 -5.115 -1.506 21.425 308 HE2 TYR 47 HE2 TYR 47 -8.796 -2.346 23.474 309 HH TYR 47 HH TYR 47 -6.352 -3.493 21.273 310 H ILE 48 H ILE 48 -5.256 4.865 23.314 311 HA ILE 48 HA ILE 48 -5.461 6.514 25.558 312 HB ILE 48 HB ILE 48 -5.876 7.040 22.604 313 1HG1 ILE 48 1HG1 ILE 48 -3.483 7.967 24.089 314 2HG1 ILE 48 2HG1 ILE 48 -3.644 6.220 23.916 315 1HG2 ILE 48 1HG2 ILE 48 -6.860 8.805 24.208 316 2HG2 ILE 48 2HG2 ILE 48 -5.191 9.125 24.679 317 3HG2 ILE 48 3HG2 ILE 48 -5.698 9.371 23.008 318 1HD1 ILE 48 1HD1 ILE 48 -4.150 7.898 21.498 319 2HD1 ILE 48 2HD1 ILE 48 -2.477 7.715 22.027 320 3HD1 ILE 48 3HD1 ILE 48 -3.433 6.291 21.619 321 H LEU 49 H LEU 49 -7.910 6.533 22.932 322 HA LEU 49 HA LEU 49 -9.927 8.004 24.099 323 1HB LEU 49 1HB LEU 49 -10.217 7.156 21.905 324 2HB LEU 49 2HB LEU 49 -9.940 5.493 22.421 325 HG LEU 49 HG LEU 49 -12.168 6.637 23.873 326 1HD1 LEU 49 1HD1 LEU 49 -12.114 7.912 21.561 327 2HD1 LEU 49 2HD1 LEU 49 -12.743 6.388 20.937 328 3HD1 LEU 49 3HD1 LEU 49 -13.635 7.269 22.178 329 1HD2 LEU 49 1HD2 LEU 49 -11.325 4.182 22.835 330 2HD2 LEU 49 2HD2 LEU 49 -12.847 4.491 23.670 331 3HD2 LEU 49 3HD2 LEU 49 -12.776 4.569 21.910 332 H GLU 50 H GLU 50 -9.029 4.670 24.892 333 HA GLU 50 HA GLU 50 -11.299 4.254 26.692 334 1HB GLU 50 1HB GLU 50 -9.434 2.712 25.335 335 2HB GLU 50 2HB GLU 50 -8.914 2.571 27.015 336 1HG GLU 50 1HG GLU 50 -11.209 1.918 27.664 337 2HG GLU 50 2HG GLU 50 -11.719 2.046 25.981 338 H ALA 51 H ALA 51 -7.782 4.796 27.114 339 HA ALA 51 HA ALA 51 -7.646 4.784 29.920 340 1HB ALA 51 1HB ALA 51 -6.202 6.149 27.680 341 2HB ALA 51 3HB ALA 51 -5.801 6.600 29.337 342 3HB ALA 51 2HB ALA 51 -5.607 4.930 28.807 343 H ALA 52 H ALA 52 -8.082 7.645 27.844 344 HA ALA 52 HA ALA 52 -8.648 9.459 29.999 345 1HB ALA 52 1HB ALA 52 -8.212 9.525 27.244 346 2HB ALA 52 3HB ALA 52 -9.870 10.100 27.425 347 3HB ALA 52 2HB ALA 52 -8.556 10.919 28.268 348 H GLU 53 H GLU 53 -10.677 7.356 28.023 349 HA GLU 53 HA GLU 53 -13.228 8.462 28.720 350 1HB GLU 53 1HB GLU 53 -13.023 6.956 26.874 351 2HB GLU 53 2HB GLU 53 -12.228 5.735 27.869 352 1HG GLU 53 1HG GLU 53 -14.956 6.625 28.696 353 2HG GLU 53 2HG GLU 53 -14.833 5.582 27.279 354 H ALA 54 H ALA 54 -10.977 6.454 30.468 355 HA ALA 54 HA ALA 54 -12.842 5.300 32.355 356 1HB ALA 54 1HB ALA 54 -9.905 5.630 31.982 357 2HB ALA 54 3HB ALA 54 -10.455 5.289 33.623 358 3HB ALA 54 2HB ALA 54 -10.836 4.170 32.315 359 H GLN 55 H GLN 55 -11.025 8.329 32.206 360 HA GLN 55 HA GLN 55 -11.657 9.071 34.977 361 1HB GLN 55 1HB GLN 55 -10.485 10.577 32.616 362 2HB GLN 55 2HB GLN 55 -10.503 11.165 34.279 363 1HG GLN 55 1HG GLN 55 -9.415 8.442 33.975 364 2HG GLN 55 2HG GLN 55 -8.464 9.693 33.172 365 2HE2 GLN 55 2HE2 GLN 55 -8.228 8.081 35.893 366 1HE2 GLN 55 1HE2 GLN 55 -7.822 9.300 37.003 367 H GLY 56 H GLY 56 -13.053 9.527 31.798 368 1HA GLY 56 2HA GLY 56 -15.037 11.426 32.984 369 2HA GLY 56 1HA GLY 56 -15.543 10.079 31.967 370 H TYR 57 H TYR 57 -12.756 10.885 30.560 371 HA TYR 57 HA TYR 57 -13.334 13.388 29.237 372 1HB TYR 57 1HB TYR 57 -11.501 11.033 28.761 373 2HB TYR 57 2HB TYR 57 -11.534 12.405 27.653 374 HD1 TYR 57 HD1 TYR 57 -11.999 14.671 29.477 375 HD2 TYR 57 HD2 TYR 57 -9.469 11.231 29.940 376 HE1 TYR 57 HE1 TYR 57 -10.542 15.951 31.021 377 HE2 TYR 57 HE2 TYR 57 -8.010 12.511 31.482 378 HH TYR 57 HH TYR 57 -8.933 15.502 32.825 379 H ASP 58 H ASP 58 -13.894 13.599 26.917 380 HA ASP 58 HA ASP 58 -15.542 11.301 25.907 381 1HB ASP 58 1HB ASP 58 -16.878 13.154 26.864 382 2HB ASP 58 2HB ASP 58 -16.082 14.285 25.769 383 H TRP 59 H TRP 59 -15.247 10.797 23.751 384 HA TRP 59 HA TRP 59 -13.659 12.685 22.053 385 1HB TRP 59 1HB TRP 59 -13.270 9.681 22.201 386 2HB TRP 59 2HB TRP 59 -12.238 10.853 21.383 387 HD1 TRP 59 HD1 TRP 59 -13.435 10.019 24.962 388 HE1 TRP 59 HE1 TRP 59 -11.550 10.648 26.604 389 HE3 TRP 59 HE3 TRP 59 -10.071 12.062 21.707 390 HZ2 TRP 59 HZ2 TRP 59 -8.959 11.857 26.545 391 HZ3 TRP 59 HZ3 TRP 59 -7.905 12.944 22.526 392 HH2 TRP 59 HH2 TRP 59 -7.346 12.843 24.940 393 HA PRO 60 HA PRO 60 -16.807 11.737 19.120 394 1HB PRO 60 1HB PRO 60 -15.452 12.306 16.807 395 2HB PRO 60 2HB PRO 60 -16.064 13.559 17.903 396 1HG PRO 60 1HG PRO 60 -13.305 12.457 17.626 397 2HG PRO 60 2HG PRO 60 -13.828 14.128 17.885 398 1HD PRO 60 1HD PRO 60 -12.864 12.537 19.875 399 2HD PRO 60 2HD PRO 60 -14.038 13.841 20.156 400 H PHE 61 H PHE 61 -17.219 9.528 18.976 401 HA PHE 61 HA PHE 61 -15.369 7.925 17.256 402 1HB PHE 61 1HB PHE 61 -15.332 6.182 18.897 403 2HB PHE 61 2HB PHE 61 -15.037 7.679 19.782 404 HD1 PHE 61 HD1 PHE 61 -17.143 8.887 20.758 405 HD2 PHE 61 HD2 PHE 61 -17.076 4.764 19.556 406 HE1 PHE 61 HE1 PHE 61 -19.139 8.446 22.162 407 HE2 PHE 61 HE2 PHE 61 -19.071 4.323 20.961 408 HZ PHE 61 HZ PHE 61 -20.103 6.163 22.264 409 H SER 62 H SER 62 -16.552 7.072 15.611 410 HA SER 62 HA SER 62 -19.329 6.115 16.170 411 1HB SER 62 1HB SER 62 -19.741 7.142 13.775 412 2HB SER 62 2HB SER 62 -19.768 8.197 15.187 413 HG SER 62 HG SER 62 -18.311 8.567 13.146 414 H CYS 63 H CYS 63 -16.998 4.512 15.980 415 HA CYS 63 HA CYS 63 -16.197 3.499 13.515 416 1HB CYS 63 1HB CYS 63 -16.435 2.608 16.292 417 2HB CYS 63 2HB CYS 63 -16.523 1.269 15.148 418 H ARG 64 H ARG 64 -17.896 3.474 11.948 419 HA ARG 64 HA ARG 64 -19.439 1.060 11.766 420 1HB ARG 64 1HB ARG 64 -20.691 2.090 13.595 421 2HB ARG 64 2HB ARG 64 -20.867 3.581 12.670 422 1HG ARG 64 1HG ARG 64 -22.109 2.294 10.920 423 2HG ARG 64 2HG ARG 64 -22.017 0.866 11.952 424 1HD ARG 64 1HD ARG 64 -23.484 1.768 13.548 425 2HD ARG 64 2HD ARG 64 -23.156 3.437 13.045 426 HE ARG 64 HE ARG 64 -24.387 1.660 11.017 427 1HH1 ARG 64 1HH1 ARG 64 -24.292 4.782 11.352 428 2HH1 ARG 64 2HH1 ARG 64 -25.972 5.089 11.636 429 1HH2 ARG 64 1HH2 ARG 64 -26.749 1.768 12.256 430 2HH2 ARG 64 2HH2 ARG 64 -27.363 3.383 12.148 431 H ALA 65 H ALA 65 -20.838 1.084 9.811 432 HA ALA 65 HA ALA 65 -21.382 1.771 7.609 433 1HB ALA 65 1HB ALA 65 -21.410 4.031 9.196 434 2HB ALA 65 3HB ALA 65 -20.266 4.477 7.931 435 3HB ALA 65 2HB ALA 65 -21.904 3.985 7.502 436 H GLY 66 H GLY 66 -18.488 3.737 8.387 437 1HA GLY 66 2HA GLY 66 -17.197 3.198 5.895 438 2HA GLY 66 1HA GLY 66 -16.574 2.084 7.113 439 H ALA 67 H ALA 67 -14.792 2.830 8.147 440 HA ALA 67 HA ALA 67 -13.169 4.353 8.951 441 1HB ALA 67 1HB ALA 67 -13.737 5.190 6.541 442 2HB ALA 67 2HB ALA 67 -12.887 6.286 7.631 443 3HB ALA 67 3HB ALA 67 -14.622 6.470 7.372 444 H CYS 68 H CYS 68 -13.387 6.996 9.743 445 HA CYS 68 HA CYS 68 -15.870 7.272 11.348 446 1HB CYS 68 1HB CYS 68 -13.066 7.067 12.493 447 2HB CYS 68 2HB CYS 68 -14.516 7.441 13.424 448 H ALA 69 H ALA 69 -15.913 9.134 9.732 449 HA ALA 69 HA ALA 69 -14.058 11.206 9.504 450 1HB ALA 69 1HB ALA 69 -17.038 10.949 9.449 451 2HB ALA 69 3HB ALA 69 -16.356 12.575 9.423 452 3HB ALA 69 2HB ALA 69 -15.933 11.421 8.158 453 H ASN 70 H ASN 70 -16.780 11.186 11.849 454 HA ASN 70 HA ASN 70 -16.075 13.450 13.347 455 1HB ASN 70 1HB ASN 70 -17.837 11.234 13.481 456 2HB ASN 70 2HB ASN 70 -17.030 11.320 15.047 457 2HD2 ASN 70 2HD2 ASN 70 -17.794 14.071 12.876 458 1HD2 ASN 70 1HD2 ASN 70 -18.835 14.847 13.968 459 H CYS 71 H CYS 71 -14.859 10.115 13.668 460 HA CYS 71 HA CYS 71 -13.298 10.552 16.044 461 1HB CYS 71 1HB CYS 71 -14.066 8.377 14.975 462 2HB CYS 71 2HB CYS 71 -12.794 8.605 13.775 463 H ALA 72 H ALA 72 -11.993 12.433 15.841 464 HA ALA 72 HA ALA 72 -9.602 12.109 14.122 465 1HB ALA 72 1HB ALA 72 -11.869 13.922 13.639 466 2HB ALA 72 3HB ALA 72 -10.605 13.389 12.532 467 3HB ALA 72 2HB ALA 72 -10.303 14.734 13.630 468 H SER 73 H SER 73 -7.810 13.210 14.970 469 HA SER 73 HA SER 73 -8.244 15.022 17.306 470 1HB SER 73 1HB SER 73 -6.805 12.387 17.147 471 2HB SER 73 2HB SER 73 -6.230 13.614 18.276 472 HG SER 73 HG SER 73 -8.628 12.190 18.240 473 H ILE 74 H ILE 74 -5.785 15.746 17.969 474 HA ILE 74 HA ILE 74 -4.168 16.173 15.502 475 HB ILE 74 HB ILE 74 -5.228 18.326 17.363 476 1HG1 ILE 74 1HG1 ILE 74 -6.904 17.370 15.775 477 2HG1 ILE 74 2HG1 ILE 74 -6.530 19.059 15.431 478 1HG2 ILE 74 1HG2 ILE 74 -2.864 18.522 16.237 479 2HG2 ILE 74 2HG2 ILE 74 -3.793 18.809 14.766 480 3HG2 ILE 74 3HG2 ILE 74 -3.978 19.887 16.150 481 1HD1 ILE 74 1HD1 ILE 74 -5.192 16.715 14.045 482 2HD1 ILE 74 2HD1 ILE 74 -6.569 17.600 13.384 483 3HD1 ILE 74 3HD1 ILE 74 -5.032 18.425 13.638 484 H VAL 75 H VAL 75 -2.616 14.765 16.577 485 HA VAL 75 HA VAL 75 -1.611 15.075 19.212 486 HB VAL 75 HB VAL 75 -1.211 13.153 17.731 487 1HG1 VAL 75 1HG1 VAL 75 -0.630 15.130 15.845 488 2HG1 VAL 75 2HG1 VAL 75 0.928 14.365 16.161 489 3HG1 VAL 75 3HG1 VAL 75 -0.441 13.392 15.620 490 1HG2 VAL 75 1HG2 VAL 75 1.120 14.693 18.829 491 2HG2 VAL 75 2HG2 VAL 75 0.424 13.174 19.393 492 3HG2 VAL 75 3HG2 VAL 75 1.417 13.202 17.936 493 H LYS 76 H LYS 76 -0.591 16.851 20.074 494 HA LYS 76 HA LYS 76 0.636 18.867 18.295 495 1HB LYS 76 1HB LYS 76 0.279 18.670 21.304 496 2HB LYS 76 2HB LYS 76 0.811 20.111 20.439 497 1HG LYS 76 1HG LYS 76 -1.757 18.770 19.638 498 2HG LYS 76 2HG LYS 76 -1.733 19.828 21.048 499 1HD LYS 76 1HD LYS 76 -1.792 21.633 19.707 500 2HD LYS 76 2HD LYS 76 -0.292 21.116 18.936 501 1HE LYS 76 1HE LYS 76 -1.388 20.281 17.108 502 2HE LYS 76 2HE LYS 76 -2.708 19.616 18.090 503 1HZ LYS 76 1HZ LYS 76 -2.443 22.517 18.057 504 2HZ LYS 76 2HZ LYS 76 -2.968 21.813 16.604 505 3HZ LYS 76 3HZ LYS 76 -3.844 21.558 18.037 506 H GLU 77 H GLU 77 1.619 16.076 19.973 507 HA GLU 77 HA GLU 77 4.356 16.255 19.214 508 1HB GLU 77 1HB GLU 77 3.632 17.957 21.340 509 2HB GLU 77 2HB GLU 77 4.493 16.612 22.091 510 1HG GLU 77 1HG GLU 77 6.420 16.957 20.706 511 2HG GLU 77 2HG GLU 77 5.546 18.074 19.658 512 H GLY 78 H GLY 78 5.680 14.525 20.372 513 1HA GLY 78 2HA GLY 78 4.150 12.596 21.983 514 2HA GLY 78 1HA GLY 78 5.857 12.466 21.559 515 H GLU 79 H GLU 79 4.355 10.199 21.286 516 HA GLU 79 HA GLU 79 3.507 10.021 18.436 517 1HB GLU 79 1HB GLU 79 5.866 9.592 18.340 518 2HB GLU 79 2HB GLU 79 5.801 8.560 19.769 519 1HG GLU 79 1HG GLU 79 5.281 6.757 18.519 520 2HG GLU 79 2HG GLU 79 3.952 7.618 17.743 521 H ILE 80 H ILE 80 1.976 8.383 18.112 522 HA ILE 80 HA ILE 80 1.185 6.818 20.547 523 HB ILE 80 HB ILE 80 -0.446 7.662 18.130 524 1HG1 ILE 80 1HG1 ILE 80 -0.068 8.924 20.854 525 2HG1 ILE 80 2HG1 ILE 80 0.192 9.667 19.275 526 1HG2 ILE 80 1HG2 ILE 80 -1.254 5.663 19.398 527 2HG2 ILE 80 2HG2 ILE 80 -1.302 6.651 20.859 528 3HG2 ILE 80 3HG2 ILE 80 -2.362 7.031 19.502 529 1HD1 ILE 80 1HD1 ILE 80 -2.282 9.287 18.819 530 2HD1 ILE 80 2HD1 ILE 80 -2.446 8.853 20.521 531 3HD1 ILE 80 3HD1 ILE 80 -1.924 10.477 20.069 532 H ASP 81 H ASP 81 0.857 4.579 20.297 533 HA ASP 81 HA ASP 81 1.956 3.388 17.803 534 1HB ASP 81 1HB ASP 81 2.071 2.878 20.600 535 2HB ASP 81 2HB ASP 81 1.245 1.506 19.864 536 H MET 82 H MET 82 0.393 3.015 16.265 537 HA MET 82 HA MET 82 -2.264 1.968 17.188 538 1HB MET 82 1HB MET 82 -1.941 4.255 15.975 539 2HB MET 82 2HB MET 82 -1.682 3.275 14.533 540 1HG MET 82 1HG MET 82 -4.050 2.605 16.215 541 2HG MET 82 2HG MET 82 -4.130 4.099 15.280 542 1HE MET 82 1HE MET 82 -5.776 1.363 15.261 543 2HE MET 82 2HE MET 82 -6.340 2.633 14.178 544 3HE MET 82 3HE MET 82 -6.076 0.996 13.565 545 H ASP 83 H ASP 83 -2.826 -0.058 16.446 546 HA ASP 83 HA ASP 83 -0.912 -1.668 14.980 547 1HB ASP 83 1HB ASP 83 -3.450 -1.918 16.407 548 2HB ASP 83 2HB ASP 83 -3.386 -2.958 14.984 549 H MET 84 H MET 84 -0.937 -2.227 12.796 550 HA MET 84 HA MET 84 -1.987 -0.562 10.819 551 1HB MET 84 1HB MET 84 -0.462 -2.829 10.960 552 2HB MET 84 2HB MET 84 -1.916 -3.449 10.178 553 1HG MET 84 1HG MET 84 -1.755 -1.780 8.427 554 2HG MET 84 2HG MET 84 -0.421 -0.978 9.256 555 1HE MET 84 1HE MET 84 -1.224 -2.530 6.431 556 2HE MET 84 2HE MET 84 0.283 -1.613 6.292 557 3HE MET 84 3HE MET 84 0.240 -3.317 5.849 558 H GLN 85 H GLN 85 -4.089 -0.089 10.333 559 HA GLN 85 HA GLN 85 -6.078 -2.221 10.023 560 1HB GLN 85 1HB GLN 85 -5.684 -1.047 12.542 561 2HB GLN 85 2HB GLN 85 -7.117 -0.247 11.896 562 1HG GLN 85 1HG GLN 85 -8.316 -2.249 11.723 563 2HG GLN 85 2HG GLN 85 -6.854 -3.236 11.691 564 2HE2 GLN 85 2HE2 GLN 85 -7.586 -4.534 13.534 565 1HE2 GLN 85 1HE2 GLN 85 -7.610 -3.894 15.106 566 H GLN 86 H GLN 86 -5.913 1.311 10.652 567 HA GLN 86 HA GLN 86 -7.768 1.741 8.354 568 1HB GLN 86 1HB GLN 86 -8.060 2.628 10.780 569 2HB GLN 86 2HB GLN 86 -6.804 3.789 10.350 570 1HG GLN 86 2HG GLN 86 -8.453 5.054 9.463 571 2HG GLN 86 1HG GLN 86 -8.548 3.853 8.175 572 2HE2 GLN 86 2HE2 GLN 86 -9.874 1.747 9.067 573 1HE2 GLN 86 1HE2 GLN 86 -11.350 2.139 9.810 574 H ILE 87 H ILE 87 -7.232 3.544 6.866 575 HA ILE 87 HA ILE 87 -4.414 3.484 6.077 576 HB ILE 87 HB ILE 87 -6.298 3.416 4.477 577 1HG1 ILE 87 1HG1 ILE 87 -4.759 6.013 4.220 578 2HG1 ILE 87 2HG1 ILE 87 -4.079 4.427 3.851 579 1HG2 ILE 87 1HG2 ILE 87 -6.850 6.211 5.521 580 2HG2 ILE 87 2HG2 ILE 87 -7.622 5.495 4.108 581 3HG2 ILE 87 3HG2 ILE 87 -7.898 4.806 5.705 582 1HD1 ILE 87 1HD1 ILE 87 -5.956 4.073 2.220 583 2HD1 ILE 87 2HD1 ILE 87 -6.469 5.735 2.517 584 3HD1 ILE 87 3HD1 ILE 87 -4.896 5.414 1.785 585 H LEU 88 H LEU 88 -2.902 5.008 6.601 586 HA LEU 88 HA LEU 88 -3.816 7.702 7.521 587 1HB LEU 88 1HB LEU 88 -1.905 5.789 8.903 588 2HB LEU 88 2HB LEU 88 -2.144 7.467 9.388 589 HG LEU 88 HG LEU 88 -4.396 5.449 9.197 590 1HD1 LEU 88 1HD1 LEU 88 -2.785 6.351 11.606 591 2HD1 LEU 88 2HD1 LEU 88 -4.260 5.387 11.685 592 3HD1 LEU 88 3HD1 LEU 88 -2.814 4.726 10.921 593 1HD2 LEU 88 1HD2 LEU 88 -4.190 8.316 9.694 594 2HD2 LEU 88 2HD2 LEU 88 -5.624 7.335 9.386 595 3HD2 LEU 88 3HD2 LEU 88 -4.989 7.477 11.025 596 H SER 89 H SER 89 -2.383 9.361 6.902 597 HA SER 89 HA SER 89 -0.017 8.489 5.276 598 1HB SER 89 1HB SER 89 -2.277 10.198 4.802 599 2HB SER 89 2HB SER 89 -0.807 11.169 4.726 600 HG SER 89 HG SER 89 -1.301 10.210 2.716 601 H ASP 90 H ASP 90 1.972 9.244 5.922 602 HA ASP 90 HA ASP 90 2.532 10.358 8.414 603 1HB ASP 90 1HB ASP 90 3.889 10.406 5.726 604 2HB ASP 90 2HB ASP 90 4.640 11.197 7.112 605 H GLU 91 H GLU 91 1.853 12.065 5.374 606 HA GLU 91 HA GLU 91 2.421 14.720 6.197 607 1HB GLU 91 1HB GLU 91 0.865 13.296 4.135 608 2HB GLU 91 2HB GLU 91 0.261 14.913 4.493 609 1HG GLU 91 1HG GLU 91 2.666 15.727 4.254 610 2HG GLU 91 2HG GLU 91 3.045 14.134 3.598 611 H GLU 92 H GLU 92 -0.522 12.758 6.573 612 HA GLU 92 HA GLU 92 -2.282 14.712 7.604 613 1HB GLU 92 1HB GLU 92 -2.096 11.892 7.328 614 2HB GLU 92 2HB GLU 92 -2.521 12.203 9.011 615 1HG GLU 92 1HG GLU 92 -4.411 13.586 8.319 616 2HG GLU 92 2HG GLU 92 -3.956 13.405 6.624 617 H VAL 93 H VAL 93 0.190 12.768 9.281 618 HA VAL 93 HA VAL 93 -0.400 13.951 11.894 619 HB VAL 93 HB VAL 93 2.042 12.404 10.988 620 1HG1 VAL 93 1HG1 VAL 93 0.557 12.640 13.623 621 2HG1 VAL 93 2HG1 VAL 93 1.921 11.559 13.335 622 3HG1 VAL 93 3HG1 VAL 93 2.148 13.307 13.256 623 1HG2 VAL 93 1HG2 VAL 93 -0.795 11.564 11.275 624 2HG2 VAL 93 2HG2 VAL 93 0.487 10.878 10.276 625 3HG2 VAL 93 3HG2 VAL 93 0.410 10.497 11.997 626 H GLU 94 H GLU 94 1.672 14.674 9.180 627 HA GLU 94 HA GLU 94 3.457 16.434 10.732 628 1HB GLU 94 1HB GLU 94 3.149 15.479 7.902 629 2HB GLU 94 2HB GLU 94 4.162 16.885 8.224 630 1HG GLU 94 1HG GLU 94 4.511 14.411 9.890 631 2HG GLU 94 2HG GLU 94 5.220 14.473 8.277 632 H GLU 95 H GLU 95 0.701 16.731 8.516 633 HA GLU 95 HA GLU 95 0.851 19.710 8.781 634 1HB GLU 95 1HB GLU 95 0.167 17.780 6.697 635 2HB GLU 95 2HB GLU 95 -1.073 19.021 6.882 636 1HG GLU 95 1HG GLU 95 0.240 20.478 5.780 637 2HG GLU 95 2HG GLU 95 1.460 20.315 7.043 638 H LYS 96 H LYS 96 -1.275 16.908 9.267 639 HA LYS 96 HA LYS 96 -3.363 18.728 10.400 640 1HB LYS 96 1HB LYS 96 -3.295 16.010 9.130 641 2HB LYS 96 2HB LYS 96 -4.623 16.409 10.218 642 1HG LYS 96 1HG LYS 96 -4.562 18.661 8.710 643 2HG LYS 96 2HG LYS 96 -3.989 17.486 7.526 644 1HD LYS 96 1HD LYS 96 -6.332 16.682 9.176 645 2HD LYS 96 2HD LYS 96 -6.611 17.935 7.967 646 1HE LYS 96 1HE LYS 96 -5.061 16.048 6.611 647 2HE LYS 96 2HE LYS 96 -6.182 15.071 7.579 648 1HZ LYS 96 1HZ LYS 96 -7.898 16.826 6.827 649 2HZ LYS 96 2HZ LYS 96 -6.786 17.172 5.591 650 3HZ LYS 96 3HZ LYS 96 -7.447 15.613 5.726 651 H ASP 97 H ASP 97 -0.940 16.454 11.312 652 HA ASP 97 HA ASP 97 -0.398 15.512 13.417 653 1HB ASP 97 2HB ASP 97 -2.371 17.423 14.645 654 2HB ASP 97 1HB ASP 97 -0.755 16.984 15.200 655 H VAL 98 H VAL 98 -2.995 14.755 11.880 656 HA VAL 98 HA VAL 98 -4.808 13.904 14.030 657 HB VAL 98 HB VAL 98 -4.670 13.612 11.024 658 1HG1 VAL 98 1HG1 VAL 98 -6.729 12.481 12.943 659 2HG1 VAL 98 2HG1 VAL 98 -6.947 12.587 11.196 660 3HG1 VAL 98 3HG1 VAL 98 -5.680 11.559 11.867 661 1HG2 VAL 98 1HG2 VAL 98 -5.365 15.769 12.317 662 2HG2 VAL 98 2HG2 VAL 98 -6.400 15.206 11.004 663 3HG2 VAL 98 3HG2 VAL 98 -6.845 14.880 12.679 664 H ARG 99 H ARG 99 -5.372 11.585 14.312 665 HA ARG 99 HA ARG 99 -3.816 9.443 13.197 666 1HB ARG 99 1HB ARG 99 -2.498 11.056 15.097 667 2HB ARG 99 2HB ARG 99 -2.921 9.572 15.952 668 1HG ARG 99 1HG ARG 99 -2.010 8.396 13.786 669 2HG ARG 99 2HG ARG 99 -1.182 9.931 13.527 670 1HD ARG 99 1HD ARG 99 -0.537 9.576 16.111 671 2HD ARG 99 2HD ARG 99 -0.741 7.876 15.650 672 HE ARG 99 HE ARG 99 0.970 9.728 14.028 673 1HH1 ARG 99 1HH1 ARG 99 0.068 6.545 14.612 674 2HH1 ARG 99 2HH1 ARG 99 1.677 5.905 14.612 675 1HH2 ARG 99 1HH2 ARG 99 3.201 9.018 14.508 676 2HH2 ARG 99 2HH2 ARG 99 3.451 7.305 14.553 677 H LEU 100 H LEU 100 -5.013 7.612 13.571 678 HA LEU 100 HA LEU 100 -7.416 7.591 15.085 679 1HB LEU 100 1HB LEU 100 -5.643 5.702 13.664 680 2HB LEU 100 2HB LEU 100 -6.652 4.960 14.906 681 HG LEU 100 HG LEU 100 -7.835 4.968 12.755 682 1HD1 LEU 100 1HD1 LEU 100 -8.969 5.515 15.044 683 2HD1 LEU 100 2HD1 LEU 100 -9.119 7.146 14.392 684 3HD1 LEU 100 3HD1 LEU 100 -9.884 5.790 13.563 685 1HD2 LEU 100 1HD2 LEU 100 -7.431 7.971 12.907 686 2HD2 LEU 100 2HD2 LEU 100 -6.706 6.881 11.724 687 3HD2 LEU 100 3HD2 LEU 100 -8.449 7.150 11.723 688 H THR 101 H THR 101 -7.534 7.793 17.289 689 HA THR 101 HA THR 101 -5.398 6.496 18.950 690 HB THR 101 HB THR 101 -6.033 8.228 20.613 691 HG1 THR 101 HG1 THR 101 -7.877 9.162 20.375 692 1HG2 THR 101 1HG2 THR 101 -4.571 8.579 18.329 693 2HG2 THR 101 2HG2 THR 101 -5.740 9.891 18.196 694 3HG2 THR 101 3HG2 THR 101 -4.702 9.776 19.617 695 H CYS 102 H CYS 102 -8.167 5.535 17.814 696 HA CYS 102 HA CYS 102 -9.799 5.081 20.191 697 1HB CYS 102 1HB CYS 102 -9.804 4.507 17.287 698 2HB CYS 102 2HB CYS 102 -10.656 3.322 18.277 699 H ILE 103 H ILE 103 -7.548 3.124 18.232 700 HA ILE 103 HA ILE 103 -7.506 1.114 20.461 701 HB ILE 103 HB ILE 103 -8.776 0.370 18.463 702 1HG1 ILE 103 1HG1 ILE 103 -6.388 -1.278 18.088 703 2HG1 ILE 103 2HG1 ILE 103 -6.751 -0.997 19.790 704 1HG2 ILE 103 1HG2 ILE 103 -6.537 1.624 17.131 705 2HG2 ILE 103 2HG2 ILE 103 -6.701 -0.048 16.595 706 3HG2 ILE 103 3HG2 ILE 103 -8.060 1.063 16.442 707 1HD1 ILE 103 1HD1 ILE 103 -9.169 -1.630 19.223 708 2HD1 ILE 103 2HD1 ILE 103 -8.544 -2.216 17.681 709 3HD1 ILE 103 3HD1 ILE 103 -7.993 -2.944 19.191 710 H GLY 104 H GLY 104 -5.674 3.340 20.158 711 1HA GLY 104 2HA GLY 104 -3.366 3.533 19.074 712 2HA GLY 104 1HA GLY 104 -3.175 1.833 19.499 713 H SER 105 H SER 105 -1.366 2.300 20.876 714 HA SER 105 HA SER 105 -2.156 3.538 23.489 715 1HB SER 105 1HB SER 105 -0.799 1.918 24.489 716 2HB SER 105 2HB SER 105 -1.392 1.042 23.078 717 HG SER 105 HG SER 105 0.776 0.786 23.044 718 HA PRO 106 HA PRO 106 0.891 6.647 22.926 719 1HB PRO 106 1HB PRO 106 1.686 7.069 25.509 720 2HB PRO 106 2HB PRO 106 0.115 7.599 24.882 721 1HG PRO 106 2HG PRO 106 0.798 5.229 26.549 722 2HG PRO 106 1HG PRO 106 -0.623 6.281 26.614 723 1HD PRO 106 1HD PRO 106 -0.596 3.796 25.449 724 2HD PRO 106 2HD PRO 106 -1.723 5.092 25.002 725 H ALA 107 H ALA 107 2.884 6.209 22.042 726 HA ALA 107 HA ALA 107 4.573 4.051 23.113 727 1HB ALA 107 1HB ALA 107 4.372 5.790 20.717 728 2HB ALA 107 3HB ALA 107 4.753 4.072 20.827 729 3HB ALA 107 2HB ALA 107 6.005 5.273 21.141 730 H ALA 108 H ALA 108 4.325 7.508 23.375 731 HA ALA 108 HA ALA 108 7.024 7.633 24.676 732 1HB ALA 108 1HB ALA 108 6.577 9.023 22.634 733 2HB ALA 108 3HB ALA 108 5.284 9.834 23.516 734 3HB ALA 108 2HB ALA 108 6.955 9.997 24.054 735 H ASP 109 H ASP 109 7.118 8.358 26.816 736 HA ASP 109 HA ASP 109 4.935 8.113 28.567 737 1HB ASP 109 1HB ASP 109 7.494 9.729 28.662 738 2HB ASP 109 2HB ASP 109 6.427 9.565 30.056 739 H GLU 110 H GLU 110 6.391 11.262 27.654 740 HA GLU 110 HA GLU 110 3.852 12.629 28.317 741 1HB GLU 110 2HB GLU 110 5.226 14.622 28.112 742 2HB GLU 110 1HB GLU 110 6.158 13.410 28.992 743 1HG GLU 110 1HG GLU 110 7.768 13.903 27.450 744 2HG GLU 110 2HG GLU 110 6.846 12.801 26.429 745 H VAL 111 H VAL 111 2.349 13.043 26.744 746 HA VAL 111 HA VAL 111 3.282 13.452 23.935 747 HB VAL 111 HB VAL 111 0.980 11.672 24.798 748 1HG1 VAL 111 1HG1 VAL 111 1.999 12.692 22.235 749 2HG1 VAL 111 2HG1 VAL 111 1.796 10.940 22.267 750 3HG1 VAL 111 3HG1 VAL 111 0.426 11.993 22.621 751 1HG2 VAL 111 1HG2 VAL 111 3.838 11.025 24.030 752 2HG2 VAL 111 2HG2 VAL 111 3.008 10.608 25.530 753 3HG2 VAL 111 3HG2 VAL 111 2.544 9.827 24.017 754 H LYS 112 H LYS 112 2.030 14.979 22.812 755 HA LYS 112 HA LYS 112 -0.226 16.217 24.356 756 1HB LYS 112 1HB LYS 112 1.860 17.384 22.488 757 2HB LYS 112 2HB LYS 112 0.506 18.305 23.144 758 1HG LYS 112 1HG LYS 112 1.280 17.976 25.403 759 2HG LYS 112 2HG LYS 112 2.496 16.814 24.875 760 1HD LYS 112 1HD LYS 112 3.783 18.505 23.788 761 2HD LYS 112 2HD LYS 112 2.469 19.677 23.900 762 1HE LYS 112 1HE LYS 112 3.221 18.618 26.526 763 2HE LYS 112 2HE LYS 112 4.567 19.442 25.714 764 1HZ LYS 112 1HZ LYS 112 3.063 21.286 25.213 765 2HZ LYS 112 2HZ LYS 112 1.803 20.502 26.040 766 3HZ LYS 112 3HZ LYS 112 3.173 21.037 26.889 767 H ILE 113 H ILE 113 -2.166 16.422 23.275 768 HA ILE 113 HA ILE 113 -2.330 16.346 20.345 769 HB ILE 113 HB ILE 113 -2.122 14.008 20.708 770 1HG1 ILE 113 1HG1 ILE 113 -5.091 14.632 20.771 771 2HG1 ILE 113 2HG1 ILE 113 -4.085 14.601 19.323 772 1HG2 ILE 113 1HG2 ILE 113 -3.930 14.481 23.092 773 2HG2 ILE 113 2HG2 ILE 113 -3.538 12.871 22.487 774 3HG2 ILE 113 3HG2 ILE 113 -2.259 13.915 23.106 775 1HD1 ILE 113 1HD1 ILE 113 -4.217 12.208 21.151 776 2HD1 ILE 113 2HD1 ILE 113 -5.452 12.466 19.919 777 3HD1 ILE 113 3HD1 ILE 113 -3.764 12.271 19.448 778 H VAL 114 H VAL 114 -4.360 17.118 19.620 779 HA VAL 114 HA VAL 114 -6.048 18.356 21.719 780 HB VAL 114 HB VAL 114 -5.106 18.995 19.109 781 1HG1 VAL 114 1HG1 VAL 114 -8.108 18.655 19.250 782 2HG1 VAL 114 2HG1 VAL 114 -7.339 19.776 18.127 783 3HG1 VAL 114 3HG1 VAL 114 -7.004 18.047 18.016 784 1HG2 VAL 114 1HG2 VAL 114 -5.604 20.362 21.293 785 2HG2 VAL 114 2HG2 VAL 114 -5.727 21.155 19.724 786 3HG2 VAL 114 3HG2 VAL 114 -7.185 20.608 20.552 787 H TYR 115 H TYR 115 -8.141 17.648 22.149 788 HA TYR 115 HA TYR 115 -9.039 15.215 20.671 789 1HB TYR 115 1HB TYR 115 -9.750 14.480 22.712 790 2HB TYR 115 2HB TYR 115 -8.681 15.730 23.337 791 HD1 TYR 115 HD1 TYR 115 -9.761 18.147 23.531 792 HD2 TYR 115 HD2 TYR 115 -11.987 14.477 23.351 793 HE1 TYR 115 HE1 TYR 115 -11.708 19.275 24.567 794 HE2 TYR 115 HE2 TYR 115 -13.934 15.607 24.388 795 HH TYR 115 HH TYR 115 -14.652 18.366 24.425 796 H ASN 116 H ASN 116 -11.431 15.051 20.285 797 HA ASN 116 HA ASN 116 -13.482 15.925 19.490 798 1HB ASN 116 1HB ASN 116 -12.526 17.646 21.568 799 2HB ASN 116 2HB ASN 116 -13.210 18.655 20.298 800 2HD2 ASN 116 2HD2 ASN 116 -15.082 19.140 21.711 801 1HD2 ASN 116 1HD2 ASN 116 -16.299 17.982 21.952 802 H ALA 117 H ALA 117 -11.273 15.861 17.713 803 HA ALA 117 HA ALA 117 -10.736 18.367 16.417 804 1HB ALA 117 1HB ALA 117 -9.478 16.180 16.247 805 2HB ALA 117 3HB ALA 117 -9.813 16.937 14.689 806 3HB ALA 117 2HB ALA 117 -10.789 15.573 15.235 807 H LYS 118 H LYS 118 -13.495 16.255 16.360 808 HA LYS 118 HA LYS 118 -14.629 16.641 13.836 809 1HB LYS 118 1HB LYS 118 -16.805 16.501 15.136 810 2HB LYS 118 2HB LYS 118 -15.633 15.244 15.532 811 1HG LYS 118 1HG LYS 118 -15.011 16.314 17.561 812 2HG LYS 118 2HG LYS 118 -15.782 17.829 17.089 813 1HD LYS 118 1HD LYS 118 -17.689 15.642 17.034 814 2HD LYS 118 2HD LYS 118 -16.926 15.768 18.619 815 1HE LYS 118 1HE LYS 118 -17.407 18.324 18.403 816 2HE LYS 118 2HE LYS 118 -18.558 17.836 17.144 817 H HIS 119 H HIS 119 -14.117 18.996 16.362 818 HA HIS 119 HA HIS 119 -16.051 20.965 15.588 819 1HB HIS 119 1HB HIS 119 -13.328 21.070 16.919 820 2HB HIS 119 2HB HIS 119 -14.385 22.476 16.789 821 HD1 HIS 119 HD1 HIS 119 -17.106 21.246 17.386 822 HD2 HIS 119 HD2 HIS 119 -13.678 20.295 19.560 823 HE1 HIS 119 HE1 HIS 119 -17.898 20.372 19.626 824 H LEU 120 H LEU 120 -12.943 20.033 14.263 825 HA LEU 120 HA LEU 120 -12.016 22.223 12.863 826 1HB LEU 120 1HB LEU 120 -11.593 19.532 12.867 827 2HB LEU 120 2HB LEU 120 -12.324 19.734 11.276 828 HG LEU 120 HG LEU 120 -10.533 21.861 11.459 829 1HD1 LEU 120 1HD1 LEU 120 -9.737 19.850 13.321 830 2HD1 LEU 120 2HD1 LEU 120 -8.614 19.798 11.962 831 3HD1 LEU 120 3HD1 LEU 120 -8.855 21.303 12.850 832 1HD2 LEU 120 1HD2 LEU 120 -11.018 19.556 9.861 833 2HD2 LEU 120 2HD2 LEU 120 -10.085 20.990 9.432 834 3HD2 LEU 120 3HD2 LEU 120 -9.285 19.610 10.184 835 H ASP 121 H ASP 121 -12.836 23.558 11.281 836 HA ASP 121 HA ASP 121 -15.571 23.444 10.454 837 1HB ASP 121 1HB ASP 121 -13.817 25.366 10.542 838 2HB ASP 121 2HB ASP 121 -13.348 24.808 8.935 839 H TYR 122 H TYR 122 -12.603 22.173 9.005 840 HA TYR 122 HA TYR 122 -13.655 21.598 6.396 841 1HB TYR 122 1HB TYR 122 -11.235 21.630 7.392 842 2HB TYR 122 2HB TYR 122 -11.570 19.952 7.823 843 HD1 TYR 122 HD1 TYR 122 -11.728 22.320 4.921 844 HD2 TYR 122 HD2 TYR 122 -11.263 18.256 6.232 845 HE1 TYR 122 HE1 TYR 122 -11.242 21.623 2.591 846 HE2 TYR 122 HE2 TYR 122 -10.776 17.560 3.902 847 HH TYR 122 HH TYR 122 -10.408 18.247 1.819 848 H LEU 123 H LEU 123 -14.236 20.163 9.470 849 HA LEU 123 HA LEU 123 -15.270 17.657 8.200 850 1HB LEU 123 1HB LEU 123 -13.914 18.397 10.694 851 2HB LEU 123 2HB LEU 123 -15.327 17.375 10.964 852 HG LEU 123 HG LEU 123 -13.163 16.743 8.938 853 1HD1 LEU 123 1HD1 LEU 123 -13.532 15.824 11.801 854 2HD1 LEU 123 2HD1 LEU 123 -12.499 14.989 10.640 855 3HD1 LEU 123 3HD1 LEU 123 -12.132 16.647 11.115 856 1HD2 LEU 123 1HD2 LEU 123 -15.748 15.575 9.716 857 2HD2 LEU 123 2HD2 LEU 123 -14.804 15.337 8.245 858 3HD2 LEU 123 3HD2 LEU 123 -14.422 14.412 9.697 859 H GLN 124 H GLN 124 -16.168 20.519 10.008 860 HA GLN 124 HA GLN 124 -18.744 19.650 10.948 861 1HB GLN 124 1HB GLN 124 -17.381 21.628 11.701 862 2HB GLN 124 2HB GLN 124 -17.788 22.425 10.181 863 1HG GLN 124 2HG GLN 124 -19.625 23.199 11.250 864 2HG GLN 124 1HG GLN 124 -20.249 21.555 11.126 865 2HE2 GLN 124 2HE2 GLN 124 -21.105 23.006 13.323 866 1HE2 GLN 124 1HE2 GLN 124 -20.336 22.462 14.735 867 H ASN 125 H ASN 125 -17.585 20.783 7.842 868 HA ASN 125 HA ASN 125 -19.956 21.726 6.636 869 1HB ASN 125 1HB ASN 125 -17.650 21.774 5.700 870 2HB ASN 125 2HB ASN 125 -17.734 20.030 5.449 871 2HD2 ASN 125 2HD2 ASN 125 -17.319 21.211 3.115 872 1HD2 ASN 125 1HD2 ASN 125 -18.736 21.421 2.204 873 H ARG 126 H ARG 126 -19.039 18.465 7.519 874 HA ARG 126 HA ARG 126 -21.061 17.183 5.813 875 1HB ARG 126 1HB ARG 126 -18.697 16.458 7.055 876 2HB ARG 126 2HB ARG 126 -19.916 15.673 8.060 877 1HG ARG 126 1HG ARG 126 -19.297 14.156 6.258 878 2HG ARG 126 2HG ARG 126 -20.941 14.725 5.976 879 1HD ARG 126 1HD ARG 126 -18.890 16.468 4.781 880 2HD ARG 126 2HD ARG 126 -18.914 14.829 4.105 881 HE ARG 126 HE ARG 126 -21.603 15.832 4.436 882 1HH1 ARG 126 1HH1 ARG 126 -19.604 14.658 2.134 883 2HH1 ARG 126 2HH1 ARG 126 -20.081 15.729 0.860 884 1HH2 ARG 126 1HH2 ARG 126 -21.872 17.842 2.947 885 2HH2 ARG 126 2HH2 ARG 126 -21.364 17.532 1.320 886 H VAL 127 H VAL 127 -20.735 18.168 9.204 887 HA VAL 127 HA VAL 127 -23.029 16.788 10.234 888 HB VAL 127 HB VAL 127 -21.672 19.383 11.039 889 1HG1 VAL 127 1HG1 VAL 127 -23.758 17.654 12.342 890 2HG1 VAL 127 2HG1 VAL 127 -22.605 18.536 13.344 891 3HG1 VAL 127 3HG1 VAL 127 -23.674 19.414 12.250 892 1HG2 VAL 127 1HG2 VAL 127 -20.963 16.549 11.251 893 2HG2 VAL 127 2HG2 VAL 127 -19.960 17.977 11.504 894 3HG2 VAL 127 3HG2 VAL 127 -20.971 17.366 12.814 895 H ILE 128 H ILE 128 -25.033 17.077 9.283 896 HA ILE 128 HA ILE 128 -25.872 19.885 8.639 897 HB ILE 128 HB ILE 128 -27.274 18.854 6.924 898 1HG1 ILE 128 1HG1 ILE 128 -26.168 16.181 7.814 899 2HG1 ILE 128 2HG1 ILE 128 -27.736 16.791 8.342 900 1HG2 ILE 128 1HG2 ILE 128 -24.385 18.492 7.072 901 2HG2 ILE 128 2HG2 ILE 128 -25.141 17.288 6.028 902 3HG2 ILE 128 3HG2 ILE 128 -25.378 19.006 5.707 903 1HD1 ILE 128 1HD1 ILE 128 -26.889 16.382 5.456 904 2HD1 ILE 128 2HD1 ILE 128 -27.967 15.322 6.364 905 3HD1 ILE 128 3HD1 ILE 128 -28.462 16.973 5.993 No H/Q in entry = 905 Start of MODEL 5 1 H2 PRO 1 H2 PRO 1 2.490 6.974 31.376 2 H3 PRO 1 H3 PRO 1 4.052 6.529 30.868 3 HA PRO 1 HA PRO 1 3.944 8.099 29.315 4 1HB PRO 1 1HB PRO 1 1.928 7.374 27.614 5 2HB PRO 1 2HB PRO 1 3.472 6.505 27.707 6 1HG PRO 1 1HG PRO 1 0.834 5.832 28.925 7 2HG PRO 1 2HG PRO 1 2.026 4.769 28.163 8 1HD PRO 1 1HD PRO 1 1.749 5.013 30.859 9 2HD PRO 1 2HD PRO 1 3.290 4.612 30.073 10 H THR 2 H THR 2 3.195 10.181 29.468 11 HA THR 2 HA THR 2 0.398 10.610 30.448 12 HB THR 2 HB THR 2 2.797 12.468 30.463 13 HG1 THR 2 HG1 THR 2 1.791 10.669 32.406 14 1HG2 THR 2 1HG2 THR 2 0.041 12.867 30.997 15 2HG2 THR 2 2HG2 THR 2 0.869 12.879 32.554 16 3HG2 THR 2 3HG2 THR 2 1.368 13.995 31.283 17 H VAL 3 H VAL 3 -1.023 11.488 28.995 18 HA VAL 3 HA VAL 3 0.107 12.922 26.611 19 HB VAL 3 HB VAL 3 -2.430 11.273 26.834 20 1HG1 VAL 3 1HG1 VAL 3 -1.334 13.050 24.830 21 2HG1 VAL 3 2HG1 VAL 3 -1.455 11.410 24.193 22 3HG1 VAL 3 3HG1 VAL 3 -2.886 12.212 24.839 23 1HG2 VAL 3 1HG2 VAL 3 0.303 10.433 26.699 24 2HG2 VAL 3 2HG2 VAL 3 -1.149 9.433 26.635 25 3HG2 VAL 3 3HG2 VAL 3 -0.457 10.081 25.148 26 H GLU 4 H GLU 4 -0.334 15.080 26.895 27 HA GLU 4 HA GLU 4 -2.616 15.986 28.506 28 1HB GLU 4 1HB GLU 4 -0.144 16.929 28.060 29 2HB GLU 4 2HB GLU 4 -0.987 17.800 26.778 30 1HG GLU 4 1HG GLU 4 -1.859 19.236 28.277 31 2HG GLU 4 2HG GLU 4 -2.549 17.900 29.199 32 H TYR 5 H TYR 5 -4.633 16.166 27.621 33 HA TYR 5 HA TYR 5 -4.925 16.346 24.669 34 1HB TYR 5 2HB TYR 5 -7.266 15.773 25.199 35 2HB TYR 5 1HB TYR 5 -6.162 14.661 26.008 36 HD1 TYR 5 HD1 TYR 5 -8.335 17.629 26.479 37 HD2 TYR 5 HD2 TYR 5 -5.976 14.599 28.403 38 HE1 TYR 5 HE1 TYR 5 -9.295 18.275 28.673 39 HE2 TYR 5 HE2 TYR 5 -6.936 15.243 30.597 40 HH TYR 5 HH TYR 5 -9.465 16.591 31.171 41 H LEU 6 H LEU 6 -5.770 18.164 23.663 42 HA LEU 6 HA LEU 6 -6.611 20.450 25.415 43 1HB LEU 6 1HB LEU 6 -4.318 20.170 23.810 44 2HB LEU 6 2HB LEU 6 -5.395 21.221 22.891 45 HG LEU 6 HG LEU 6 -4.476 21.625 25.753 46 1HD1 LEU 6 1HD1 LEU 6 -2.991 22.193 23.683 47 2HD1 LEU 6 2HD1 LEU 6 -4.129 23.517 23.435 48 3HD1 LEU 6 3HD1 LEU 6 -3.200 23.420 24.932 49 1HD2 LEU 6 1HD2 LEU 6 -6.929 22.260 25.081 50 2HD2 LEU 6 2HD2 LEU 6 -5.939 23.448 25.930 51 3HD2 LEU 6 3HD2 LEU 6 -6.156 23.567 24.184 52 H ASN 7 H ASN 7 -8.547 21.366 24.800 53 HA ASN 7 HA ASN 7 -10.211 20.189 22.785 54 1HB ASN 7 1HB ASN 7 -10.867 21.443 24.873 55 2HB ASN 7 2HB ASN 7 -10.382 22.933 24.065 56 2HD2 ASN 7 2HD2 ASN 7 -12.551 23.800 23.938 57 1HD2 ASN 7 1HD2 ASN 7 -13.737 23.113 22.938 58 H TYR 8 H TYR 8 -10.003 20.464 20.591 59 HA TYR 8 HA TYR 8 -8.239 22.247 19.283 60 1HB TYR 8 1HB TYR 8 -9.155 20.359 18.129 61 2HB TYR 8 2HB TYR 8 -10.808 20.852 18.490 62 HD1 TYR 8 HD1 TYR 8 -11.685 23.013 17.461 63 HD2 TYR 8 HD2 TYR 8 -8.050 21.119 16.175 64 HE1 TYR 8 HE1 TYR 8 -11.772 24.288 15.339 65 HE2 TYR 8 HE2 TYR 8 -8.136 22.397 14.050 66 HH TYR 8 HH TYR 8 -9.495 24.941 13.492 67 H GLU 9 H GLU 9 -11.508 22.718 20.470 68 HA GLU 9 HA GLU 9 -12.104 25.151 19.043 69 1HB GLU 9 1HB GLU 9 -13.498 23.409 20.526 70 2HB GLU 9 2HB GLU 9 -13.162 24.598 21.785 71 1HG GLU 9 1HG GLU 9 -13.964 25.940 19.357 72 2HG GLU 9 2HG GLU 9 -15.170 24.732 19.798 73 H THR 10 H THR 10 -10.578 24.453 22.179 74 HA THR 10 HA THR 10 -10.418 27.082 23.223 75 HB THR 10 HB THR 10 -8.547 24.696 23.371 76 HG1 THR 10 HG1 THR 10 -9.647 24.475 25.399 77 1HG2 THR 10 1HG2 THR 10 -8.648 27.225 25.037 78 2HG2 THR 10 2HG2 THR 10 -7.735 25.781 25.478 79 3HG2 THR 10 3HG2 THR 10 -7.311 26.681 24.022 80 H LEU 11 H LEU 11 -8.412 25.407 20.827 81 HA LEU 11 HA LEU 11 -6.370 27.463 20.659 82 1HB LEU 11 1HB LEU 11 -5.865 25.231 19.958 83 2HB LEU 11 2HB LEU 11 -7.292 25.160 18.923 84 HG LEU 11 HG LEU 11 -6.330 26.897 17.463 85 1HD1 LEU 11 1HD1 LEU 11 -4.994 27.892 19.447 86 2HD1 LEU 11 2HD1 LEU 11 -3.778 26.673 19.061 87 3HD1 LEU 11 3HD1 LEU 11 -4.220 27.890 17.862 88 1HD2 LEU 11 1HD2 LEU 11 -5.765 24.379 17.266 89 2HD2 LEU 11 2HD2 LEU 11 -4.736 25.514 16.393 90 3HD2 LEU 11 3HD2 LEU 11 -4.187 24.820 17.919 91 H ASP 12 H ASP 12 -9.417 26.812 18.966 92 HA ASP 12 HA ASP 12 -9.023 28.929 16.984 93 1HB ASP 12 1HB ASP 12 -10.929 26.800 17.674 94 2HB ASP 12 2HB ASP 12 -11.706 28.250 17.039 95 H ASP 13 H ASP 13 -11.455 28.485 19.587 96 HA ASP 13 HA ASP 13 -12.603 31.024 19.608 97 1HB ASP 13 1HB ASP 13 -12.742 28.763 21.109 98 2HB ASP 13 2HB ASP 13 -11.929 29.837 22.247 99 H GLN 14 H GLN 14 -9.707 30.018 21.469 100 HA GLN 14 HA GLN 14 -9.163 32.727 22.398 101 1HB GLN 14 1HB GLN 14 -8.573 30.303 23.314 102 2HB GLN 14 2HB GLN 14 -7.131 30.524 22.323 103 1HG GLN 14 1HG GLN 14 -6.236 31.927 23.842 104 2HG GLN 14 2HG GLN 14 -7.685 32.932 23.826 105 2HE2 GLN 14 2HE2 GLN 14 -6.551 29.776 25.174 106 1HE2 GLN 14 1HE2 GLN 14 -7.423 29.918 26.624 107 H GLY 15 H GLY 15 -8.482 30.957 19.514 108 1HA GLY 15 2HA GLY 15 -7.280 33.177 18.193 109 2HA GLY 15 1HA GLY 15 -7.230 31.513 17.610 110 H TRP 16 H TRP 16 -5.863 30.389 19.868 111 HA TRP 16 HA TRP 16 -3.353 31.865 20.251 112 1HB TRP 16 1HB TRP 16 -4.798 29.584 21.345 113 2HB TRP 16 2HB TRP 16 -3.088 29.212 21.126 114 HD1 TRP 16 HD1 TRP 16 -2.441 29.354 23.662 115 HE1 TRP 16 HE1 TRP 16 -2.253 31.320 25.321 116 HE3 TRP 16 HE3 TRP 16 -4.849 32.987 21.001 117 HZ2 TRP 16 HZ2 TRP 16 -3.023 34.069 25.495 118 HZ3 TRP 16 HZ3 TRP 16 -5.108 35.267 21.936 119 HH2 TRP 16 HH2 TRP 16 -4.200 35.812 24.177 120 H ASP 17 H ASP 17 -1.322 30.201 19.993 121 HA ASP 17 HA ASP 17 -1.217 29.605 17.091 122 1HB ASP 17 1HB ASP 17 0.549 30.484 19.197 123 2HB ASP 17 2HB ASP 17 1.226 29.050 18.429 124 H MET 18 H MET 18 0.153 27.530 16.581 125 HA MET 18 HA MET 18 -1.262 25.240 17.709 126 1HB MET 18 1HB MET 18 -0.630 25.451 15.332 127 2HB MET 18 2HB MET 18 1.074 25.494 15.785 128 1HG MET 18 1HG MET 18 0.700 23.231 16.903 129 2HG MET 18 2HG MET 18 -0.867 23.191 16.092 130 1HE MET 18 1HE MET 18 -1.187 23.510 13.552 131 2HE MET 18 2HE MET 18 -0.096 24.891 13.483 132 3HE MET 18 3HE MET 18 0.102 23.546 12.351 133 H ASP 19 H ASP 19 2.172 26.285 17.670 134 HA ASP 19 HA ASP 19 2.576 24.654 20.155 135 1HB ASP 19 1HB ASP 19 3.523 23.447 18.308 136 2HB ASP 19 2HB ASP 19 4.249 24.911 17.645 137 H ASP 20 H ASP 20 2.700 27.711 18.755 138 HA ASP 20 HA ASP 20 5.107 28.746 20.024 139 1HB ASP 20 1HB ASP 20 3.616 29.538 17.981 140 2HB ASP 20 2HB ASP 20 2.746 30.421 19.234 141 H ASP 21 H ASP 21 1.631 29.393 20.668 142 HA ASP 21 HA ASP 21 2.115 30.644 23.218 143 1HB ASP 21 1HB ASP 21 -0.269 29.426 21.813 144 2HB ASP 21 2HB ASP 21 -0.413 30.172 23.405 145 H ASP 22 H ASP 22 2.106 27.363 22.224 146 HA ASP 22 HA ASP 22 2.146 25.336 23.439 147 1HB ASP 22 1HB ASP 22 3.800 27.325 24.587 148 2HB ASP 22 2HB ASP 22 3.019 26.502 25.938 149 H LEU 23 H LEU 23 -0.408 26.307 23.378 150 HA LEU 23 HA LEU 23 -1.840 27.029 25.619 151 1HB LEU 23 1HB LEU 23 -2.376 24.883 23.547 152 2HB LEU 23 2HB LEU 23 -3.607 25.459 24.671 153 HG LEU 23 HG LEU 23 -2.092 27.546 23.187 154 1HD1 LEU 23 1HD1 LEU 23 -2.815 25.488 21.642 155 2HD1 LEU 23 2HD1 LEU 23 -4.387 26.281 21.750 156 3HD1 LEU 23 3HD1 LEU 23 -3.000 27.155 21.099 157 1HD2 LEU 23 1HD2 LEU 23 -4.959 27.064 24.033 158 2HD2 LEU 23 2HD2 LEU 23 -3.829 28.252 24.682 159 3HD2 LEU 23 3HD2 LEU 23 -4.473 28.446 23.051 160 H PHE 24 H PHE 24 -0.345 23.874 25.008 161 HA PHE 24 HA PHE 24 -1.539 22.366 27.098 162 1HB PHE 24 1HB PHE 24 1.122 22.353 25.672 163 2HB PHE 24 2HB PHE 24 0.771 21.170 26.932 164 HD1 PHE 24 HD1 PHE 24 -1.828 20.244 26.671 165 HD2 PHE 24 HD2 PHE 24 0.757 21.582 23.512 166 HE1 PHE 24 HE1 PHE 24 -3.118 18.891 25.042 167 HE2 PHE 24 HE2 PHE 24 -0.533 20.229 21.883 168 HZ PHE 24 HZ PHE 24 -2.470 18.882 22.647 169 H GLU 25 H GLU 25 0.682 25.011 27.242 170 HA GLU 25 HA GLU 25 1.325 24.368 30.101 171 1HB GLU 25 1HB GLU 25 2.949 24.920 27.920 172 2HB GLU 25 2HB GLU 25 2.867 26.471 28.756 173 1HG GLU 25 1HG GLU 25 4.609 25.508 29.930 174 2HG GLU 25 2HG GLU 25 3.255 24.916 30.894 175 H LYS 26 H LYS 26 0.347 26.976 27.871 176 HA LYS 26 HA LYS 26 0.020 28.956 29.983 177 1HB LYS 26 1HB LYS 26 -0.826 28.714 27.084 178 2HB LYS 26 2HB LYS 26 -1.151 30.153 28.050 179 1HG LYS 26 1HG LYS 26 1.639 29.043 27.951 180 2HG LYS 26 2HG LYS 26 1.049 30.024 26.609 181 1HD LYS 26 1HD LYS 26 1.672 31.810 27.857 182 2HD LYS 26 2HD LYS 26 0.241 31.469 28.829 183 1HE LYS 26 1HE LYS 26 2.100 31.571 30.367 184 2HE LYS 26 2HE LYS 26 1.723 29.848 30.169 185 1HZ LYS 26 1HZ LYS 26 3.505 31.021 28.188 186 2HZ LYS 26 2HZ LYS 26 4.152 30.863 29.749 187 3HZ LYS 26 3HZ LYS 26 3.566 29.495 28.929 188 H ALA 27 H ALA 27 -1.975 26.460 28.572 189 HA ALA 27 HA ALA 27 -4.566 27.487 29.239 190 1HB ALA 27 1HB ALA 27 -4.076 25.620 27.688 191 2HB ALA 27 2HB ALA 27 -3.517 24.644 29.046 192 3HB ALA 27 3HB ALA 27 -5.213 25.119 28.939 193 H ALA 28 H ALA 28 -2.174 25.631 31.094 194 HA ALA 28 HA ALA 28 -3.811 24.915 33.315 195 1HB ALA 28 1HB ALA 28 -0.885 25.675 33.412 196 2HB ALA 28 3HB ALA 28 -1.439 24.192 32.635 197 3HB ALA 28 2HB ALA 28 -1.716 24.440 34.359 198 H ASP 29 H ASP 29 -2.229 27.938 32.463 199 HA ASP 29 HA ASP 29 -2.784 29.125 35.121 200 1HB ASP 29 1HB ASP 29 -0.794 29.404 33.270 201 2HB ASP 29 2HB ASP 29 -1.820 30.780 32.862 202 H ALA 30 H ALA 30 -4.030 29.164 31.831 203 HA ALA 30 HA ALA 30 -5.680 31.521 32.101 204 1HB ALA 30 1HB ALA 30 -5.994 29.099 30.301 205 2HB ALA 30 3HB ALA 30 -4.879 30.429 29.981 206 3HB ALA 30 2HB ALA 30 -6.619 30.721 29.999 207 H GLY 31 H GLY 31 -6.201 28.065 32.679 208 1HA GLY 31 2HA GLY 31 -8.570 28.719 34.308 209 2HA GLY 31 1HA GLY 31 -7.798 27.137 34.193 210 H LEU 32 H LEU 32 -7.952 26.207 31.823 211 HA LEU 32 HA LEU 32 -10.454 26.961 30.431 212 1HB LEU 32 1HB LEU 32 -7.968 25.430 29.925 213 2HB LEU 32 2HB LEU 32 -9.407 24.802 29.122 214 HG LEU 32 HG LEU 32 -8.189 26.490 27.737 215 1HD1 LEU 32 1HD1 LEU 32 -10.844 26.157 27.997 216 2HD1 LEU 32 2HD1 LEU 32 -10.733 27.846 28.496 217 3HD1 LEU 32 3HD1 LEU 32 -10.152 27.356 26.904 218 1HD2 LEU 32 1HD2 LEU 32 -7.730 27.805 30.041 219 2HD2 LEU 32 2HD2 LEU 32 -7.741 28.620 28.477 220 3HD2 LEU 32 3HD2 LEU 32 -9.170 28.673 29.509 221 H ASP 33 H ASP 33 -11.804 24.947 29.674 222 HA ASP 33 HA ASP 33 -12.889 23.646 32.006 223 1HB ASP 33 1HB ASP 33 -13.282 23.710 29.064 224 2HB ASP 33 2HB ASP 33 -13.885 22.270 29.884 225 H GLY 34 H GLY 34 -12.469 21.600 32.824 226 1HA GLY 34 2HA GLY 34 -11.362 19.555 33.135 227 2HA GLY 34 1HA GLY 34 -10.020 20.288 32.263 228 H GLU 35 H GLU 35 -13.317 19.511 31.171 229 HA GLU 35 HA GLU 35 -12.688 17.172 29.679 230 1HB GLU 35 1HB GLU 35 -14.752 19.295 29.028 231 2HB GLU 35 2HB GLU 35 -14.847 17.570 28.668 232 1HG GLU 35 1HG GLU 35 -14.581 17.289 31.263 233 2HG GLU 35 2HG GLU 35 -15.115 18.969 31.318 234 H ASP 36 H ASP 36 -11.890 20.474 29.083 235 HA ASP 36 HA ASP 36 -11.484 20.020 26.168 236 1HB ASP 36 1HB ASP 36 -11.472 22.382 28.050 237 2HB ASP 36 2HB ASP 36 -10.851 22.529 26.406 238 H TYR 37 H TYR 37 -9.597 21.256 28.960 239 HA TYR 37 HA TYR 37 -7.126 20.226 27.599 240 1HB TYR 37 1HB TYR 37 -7.047 22.589 27.523 241 2HB TYR 37 2HB TYR 37 -7.767 22.749 29.124 242 HD1 TYR 37 HD1 TYR 37 -4.858 20.818 27.734 243 HD2 TYR 37 HD2 TYR 37 -6.263 23.626 30.664 244 HE1 TYR 37 HE1 TYR 37 -2.595 20.895 28.747 245 HE2 TYR 37 HE2 TYR 37 -4.000 23.703 31.677 246 HH TYR 37 HH TYR 37 -1.954 21.986 31.729 247 H GLY 38 H GLY 38 -5.635 19.132 28.939 248 1HA GLY 38 2HA GLY 38 -6.707 18.033 31.421 249 2HA GLY 38 1HA GLY 38 -5.352 19.131 31.684 250 H THR 39 H THR 39 -4.367 17.045 32.529 251 HA THR 39 HA THR 39 -2.727 15.833 30.394 252 HB THR 39 HB THR 39 -2.702 15.273 33.368 253 HG1 THR 39 HG1 THR 39 -1.780 17.149 33.693 254 1HG2 THR 39 1HG2 THR 39 -1.013 14.661 31.065 255 2HG2 THR 39 2HG2 THR 39 -0.117 15.444 32.366 256 3HG2 THR 39 3HG2 THR 39 -1.005 13.954 32.680 257 H MET 40 H MET 40 -3.438 13.990 29.403 258 HA MET 40 HA MET 40 -5.512 12.314 30.678 259 1HB MET 40 1HB MET 40 -4.855 13.115 28.102 260 2HB MET 40 2HB MET 40 -4.319 11.435 28.144 261 1HG MET 40 1HG MET 40 -6.627 10.946 29.221 262 2HG MET 40 2HG MET 40 -7.086 12.539 28.621 263 1HE MET 40 1HE MET 40 -7.472 9.311 28.335 264 2HE MET 40 2HE MET 40 -7.700 8.835 26.655 265 3HE MET 40 3HE MET 40 -6.095 8.747 27.379 266 H GLU 41 H GLU 41 -4.334 11.266 32.390 267 HA GLU 41 HA GLU 41 -1.790 9.972 32.054 268 1HB GLU 41 1HB GLU 41 -3.980 10.183 34.009 269 2HB GLU 41 2HB GLU 41 -3.119 8.645 34.082 270 1HG GLU 41 1HG GLU 41 -1.732 11.339 34.061 271 2HG GLU 41 2HG GLU 41 -2.135 10.464 35.539 272 H VAL 42 H VAL 42 -1.450 8.256 30.688 273 HA VAL 42 HA VAL 42 -3.666 6.255 30.373 274 HB VAL 42 HB VAL 42 -1.468 7.149 28.480 275 1HG1 VAL 42 1HG1 VAL 42 -3.670 5.086 28.213 276 2HG1 VAL 42 2HG1 VAL 42 -2.788 5.743 26.834 277 3HG1 VAL 42 3HG1 VAL 42 -1.933 4.820 28.071 278 1HG2 VAL 42 1HG2 VAL 42 -3.561 8.631 29.002 279 2HG2 VAL 42 2HG2 VAL 42 -3.117 8.348 27.319 280 3HG2 VAL 42 3HG2 VAL 42 -4.434 7.429 28.050 281 H ALA 43 H ALA 43 -3.156 4.151 30.905 282 HA ALA 43 HA ALA 43 -0.558 3.571 32.116 283 1HB ALA 43 1HB ALA 43 -3.001 2.758 32.659 284 2HB ALA 43 3HB ALA 43 -1.654 1.638 32.863 285 3HB ALA 43 2HB ALA 43 -2.669 1.543 31.424 286 H GLU 44 H GLU 44 0.784 1.725 31.389 287 HA GLU 44 HA GLU 44 1.485 1.841 28.621 288 1HB GLU 44 1HB GLU 44 2.090 0.090 30.987 289 2HB GLU 44 2HB GLU 44 2.693 -0.374 29.396 290 1HG GLU 44 1HG GLU 44 3.565 2.056 29.233 291 2HG GLU 44 2HG GLU 44 3.297 2.126 30.976 292 H GLY 45 H GLY 45 0.359 0.963 26.934 293 1HA GLY 45 2HA GLY 45 -0.749 -1.752 27.175 294 2HA GLY 45 1HA GLY 45 -0.661 -0.796 25.695 295 H GLU 46 H GLU 46 -1.868 1.331 27.834 296 HA GLU 46 HA GLU 46 -4.667 0.381 27.879 297 1HB GLU 46 1HB GLU 46 -3.233 1.723 29.652 298 2HB GLU 46 2HB GLU 46 -3.730 3.117 28.692 299 1HG GLU 46 1HG GLU 46 -5.987 2.828 29.197 300 2HG GLU 46 2HG GLU 46 -5.795 1.108 29.532 301 H TYR 47 H TYR 47 -6.125 0.939 26.304 302 HA TYR 47 HA TYR 47 -5.408 2.398 23.952 303 1HB TYR 47 2HB TYR 47 -8.195 2.002 25.070 304 2HB TYR 47 1HB TYR 47 -7.712 2.072 23.375 305 HD1 TYR 47 HD1 TYR 47 -5.136 0.376 23.798 306 HD2 TYR 47 HD2 TYR 47 -9.242 -0.189 24.923 307 HE1 TYR 47 HE1 TYR 47 -4.798 -2.081 23.799 308 HE2 TYR 47 HE2 TYR 47 -8.905 -2.646 24.924 309 HH TYR 47 HH TYR 47 -6.671 -4.192 25.274 310 H ILE 48 H ILE 48 -5.478 4.592 23.522 311 HA ILE 48 HA ILE 48 -5.619 6.557 25.533 312 HB ILE 48 HB ILE 48 -6.261 6.688 22.570 313 1HG1 ILE 48 1HG1 ILE 48 -3.717 7.178 24.149 314 2HG1 ILE 48 2HG1 ILE 48 -4.019 5.827 23.055 315 1HG2 ILE 48 1HG2 ILE 48 -7.051 8.645 24.033 316 2HG2 ILE 48 2HG2 ILE 48 -5.344 8.960 24.341 317 3HG2 ILE 48 3HG2 ILE 48 -5.975 9.050 22.697 318 1HD1 ILE 48 1HD1 ILE 48 -4.167 8.716 22.163 319 2HD1 ILE 48 2HD1 ILE 48 -2.685 7.764 22.068 320 3HD1 ILE 48 3HD1 ILE 48 -4.108 7.275 21.148 321 H LEU 49 H LEU 49 -8.177 5.993 23.076 322 HA LEU 49 HA LEU 49 -10.201 7.563 24.197 323 1HB LEU 49 1HB LEU 49 -10.482 6.574 22.050 324 2HB LEU 49 2HB LEU 49 -10.199 4.951 22.675 325 HG LEU 49 HG LEU 49 -12.298 5.131 24.003 326 1HD1 LEU 49 1HD1 LEU 49 -12.608 7.742 22.487 327 2HD1 LEU 49 2HD1 LEU 49 -13.836 7.006 23.517 328 3HD1 LEU 49 3HD1 LEU 49 -12.328 7.587 24.222 329 1HD2 LEU 49 1HD2 LEU 49 -12.276 5.407 21.015 330 2HD2 LEU 49 2HD2 LEU 49 -12.704 4.009 22.003 331 3HD2 LEU 49 3HD2 LEU 49 -13.825 5.362 21.856 332 H GLU 50 H GLU 50 -8.982 4.471 25.316 333 HA GLU 50 HA GLU 50 -11.272 3.879 27.036 334 1HB GLU 50 1HB GLU 50 -9.871 2.113 26.118 335 2HB GLU 50 2HB GLU 50 -8.431 2.832 26.837 336 1HG GLU 50 1HG GLU 50 -8.853 1.334 28.511 337 2HG GLU 50 2HG GLU 50 -9.985 2.575 29.048 338 H ALA 51 H ALA 51 -7.903 4.974 27.620 339 HA ALA 51 HA ALA 51 -8.062 5.317 30.419 340 1HB ALA 51 1HB ALA 51 -6.128 6.745 30.089 341 2HB ALA 51 2HB ALA 51 -6.055 5.462 28.883 342 3HB ALA 51 3HB ALA 51 -6.603 7.074 28.423 343 H ALA 52 H ALA 52 -9.070 7.459 27.795 344 HA ALA 52 HA ALA 52 -9.811 9.657 29.582 345 1HB ALA 52 1HB ALA 52 -9.761 9.000 26.690 346 2HB ALA 52 3HB ALA 52 -11.002 10.155 27.177 347 3HB ALA 52 2HB ALA 52 -9.303 10.493 27.509 348 H GLU 53 H GLU 53 -11.369 6.844 28.192 349 HA GLU 53 HA GLU 53 -14.105 7.659 28.435 350 1HB GLU 53 1HB GLU 53 -12.504 5.256 27.967 351 2HB GLU 53 2HB GLU 53 -13.988 4.910 28.853 352 1HG GLU 53 1HG GLU 53 -15.015 6.546 26.997 353 2HG GLU 53 2HG GLU 53 -13.630 5.953 26.080 354 H ALA 54 H ALA 54 -11.864 6.107 30.694 355 HA ALA 54 HA ALA 54 -13.786 5.631 32.792 356 1HB ALA 54 1HB ALA 54 -10.836 6.129 33.176 357 2HB ALA 54 3HB ALA 54 -11.398 4.687 32.330 358 3HB ALA 54 2HB ALA 54 -11.871 4.969 34.006 359 H GLN 55 H GLN 55 -12.233 8.482 31.645 360 HA GLN 55 HA GLN 55 -12.596 9.921 34.226 361 1HB GLN 55 1HB GLN 55 -11.378 10.680 31.550 362 2HB GLN 55 2HB GLN 55 -11.364 11.704 32.984 363 1HG GLN 55 1HG GLN 55 -10.160 9.882 34.210 364 2HG GLN 55 2HG GLN 55 -10.076 8.975 32.699 365 2HE2 GLN 55 2HE2 GLN 55 -9.593 12.487 33.390 366 1HE2 GLN 55 1HE2 GLN 55 -8.045 12.559 32.697 367 H GLY 56 H GLY 56 -14.403 9.194 31.496 368 1HA GLY 56 2HA GLY 56 -16.338 11.318 32.109 369 2HA GLY 56 1HA GLY 56 -16.575 10.000 30.960 370 H TYR 57 H TYR 57 -14.164 10.414 29.459 371 HA TYR 57 HA TYR 57 -14.286 13.192 28.442 372 1HB TYR 57 1HB TYR 57 -12.582 10.738 27.993 373 2HB TYR 57 2HB TYR 57 -12.431 12.148 26.946 374 HD1 TYR 57 HD1 TYR 57 -13.456 12.861 30.344 375 HD2 TYR 57 HD2 TYR 57 -10.037 12.252 27.814 376 HE1 TYR 57 HE1 TYR 57 -12.010 13.959 32.032 377 HE2 TYR 57 HE2 TYR 57 -8.593 13.351 29.502 378 HH TYR 57 HH TYR 57 -8.727 14.834 31.348 379 H ASP 58 H ASP 58 -14.519 13.505 26.038 380 HA ASP 58 HA ASP 58 -16.179 11.380 24.734 381 1HB ASP 58 1HB ASP 58 -17.603 13.340 23.924 382 2HB ASP 58 2HB ASP 58 -17.716 12.986 25.647 383 H TRP 59 H TRP 59 -15.571 11.025 22.617 384 HA TRP 59 HA TRP 59 -13.849 13.097 21.295 385 1HB TRP 59 1HB TRP 59 -13.581 10.086 21.091 386 2HB TRP 59 2HB TRP 59 -12.435 11.301 20.524 387 HD1 TRP 59 HD1 TRP 59 -13.981 10.032 23.823 388 HE1 TRP 59 HE1 TRP 59 -12.278 10.428 25.716 389 HE3 TRP 59 HE3 TRP 59 -10.331 12.482 21.226 390 HZ2 TRP 59 HZ2 TRP 59 -9.706 11.624 26.081 391 HZ3 TRP 59 HZ3 TRP 59 -8.266 13.237 22.371 392 HH2 TRP 59 HH2 TRP 59 -7.950 12.811 24.793 393 HA PRO 60 HA PRO 60 -16.824 12.616 18.058 394 1HB PRO 60 1HB PRO 60 -15.509 14.086 16.165 395 2HB PRO 60 2HB PRO 60 -16.364 14.821 17.534 396 1HG PRO 60 2HG PRO 60 -13.455 14.373 17.129 397 2HG PRO 60 1HG PRO 60 -14.291 15.707 17.935 398 1HD PRO 60 1HD PRO 60 -13.043 13.606 19.228 399 2HD PRO 60 2HD PRO 60 -14.307 14.629 19.940 400 H PHE 61 H PHE 61 -16.583 12.091 15.527 401 HA PHE 61 HA PHE 61 -14.579 9.868 15.284 402 1HB PHE 61 1HB PHE 61 -16.363 9.043 13.601 403 2HB PHE 61 2HB PHE 61 -16.789 8.983 15.312 404 HD1 PHE 61 HD1 PHE 61 -17.123 11.037 12.217 405 HD2 PHE 61 HD2 PHE 61 -18.609 10.239 16.168 406 HE1 PHE 61 HE1 PHE 61 -19.054 12.534 11.793 407 HE2 PHE 61 HE2 PHE 61 -20.540 11.736 15.744 408 HZ PHE 61 HZ PHE 61 -20.762 12.884 13.557 409 H SER 62 H SER 62 -14.090 9.422 12.851 410 HA SER 62 HA SER 62 -14.356 11.592 10.949 411 1HB SER 62 1HB SER 62 -12.182 11.579 12.918 412 2HB SER 62 2HB SER 62 -11.602 11.697 11.258 413 HG SER 62 HG SER 62 -12.249 13.673 11.259 414 H CYS 63 H CYS 63 -12.490 8.756 12.006 415 HA CYS 63 HA CYS 63 -11.527 8.141 9.323 416 1HB CYS 63 1HB CYS 63 -10.270 6.581 10.457 417 2HB CYS 63 2HB CYS 63 -10.735 7.564 11.841 418 H ARG 64 H ARG 64 -12.058 5.806 8.469 419 HA ARG 64 HA ARG 64 -15.000 5.298 8.771 420 1HB ARG 64 2HB ARG 64 -15.057 4.943 6.350 421 2HB ARG 64 1HB ARG 64 -14.350 6.522 6.688 422 1HG ARG 64 1HG ARG 64 -12.163 5.776 6.210 423 2HG ARG 64 2HG ARG 64 -12.609 4.078 6.382 424 1HD ARG 64 2HD ARG 64 -13.592 5.925 4.171 425 2HD ARG 64 1HD ARG 64 -12.348 4.673 3.988 426 HE ARG 64 HE ARG 64 -15.223 4.153 4.630 427 1HH1 ARG 64 1HH1 ARG 64 -12.786 3.384 2.523 428 2HH1 ARG 64 2HH1 ARG 64 -12.944 1.664 2.657 429 1HH2 ARG 64 1HH2 ARG 64 -15.124 1.808 5.351 430 2HH2 ARG 64 2HH2 ARG 64 -14.266 0.772 4.259 431 H ALA 65 H ALA 65 -12.353 4.001 9.799 432 HA ALA 65 HA ALA 65 -12.803 1.255 8.683 433 1HB ALA 65 1HB ALA 65 -10.549 2.352 8.484 434 2HB ALA 65 3HB ALA 65 -10.462 2.393 10.246 435 3HB ALA 65 2HB ALA 65 -10.510 0.847 9.401 436 H GLY 66 H GLY 66 -13.626 -0.288 10.058 437 1HA GLY 66 2HA GLY 66 -13.205 -0.180 12.937 438 2HA GLY 66 1HA GLY 66 -14.194 -1.364 12.081 439 H ALA 67 H ALA 67 -15.369 -0.569 14.307 440 HA ALA 67 HA ALA 67 -17.701 0.940 13.391 441 1HB ALA 67 1HB ALA 67 -17.986 0.531 16.091 442 2HB ALA 67 2HB ALA 67 -16.839 -0.739 15.662 443 3HB ALA 67 3HB ALA 67 -18.407 -0.658 14.858 444 H CYS 68 H CYS 68 -16.473 3.004 12.986 445 HA CYS 68 HA CYS 68 -15.114 4.506 14.971 446 1HB CYS 68 1HB CYS 68 -15.559 4.793 12.383 447 2HB CYS 68 2HB CYS 68 -16.923 5.768 12.929 448 H ALA 69 H ALA 69 -15.936 5.149 16.928 449 HA ALA 69 HA ALA 69 -18.833 5.937 17.051 450 1HB ALA 69 1HB ALA 69 -18.969 4.824 19.118 451 2HB ALA 69 3HB ALA 69 -17.900 3.770 18.193 452 3HB ALA 69 2HB ALA 69 -17.226 4.892 19.374 453 H ASN 70 H ASN 70 -15.790 6.336 18.917 454 HA ASN 70 HA ASN 70 -16.050 9.268 18.807 455 1HB ASN 70 1HB ASN 70 -16.073 9.262 21.403 456 2HB ASN 70 2HB ASN 70 -17.584 8.885 20.576 457 2HD2 ASN 70 2HD2 ASN 70 -18.503 6.826 20.957 458 1HD2 ASN 70 1HD2 ASN 70 -17.753 5.608 21.870 459 H CYS 71 H CYS 71 -13.916 9.499 18.127 460 HA CYS 71 HA CYS 71 -11.779 9.396 19.995 461 1HB CYS 71 1HB CYS 71 -10.634 7.358 18.724 462 2HB CYS 71 2HB CYS 71 -11.738 7.072 20.064 463 H ALA 72 H ALA 72 -11.414 11.407 18.879 464 HA ALA 72 HA ALA 72 -9.736 11.124 16.462 465 1HB ALA 72 1HB ALA 72 -12.335 11.373 16.004 466 2HB ALA 72 3HB ALA 72 -12.018 13.073 16.356 467 3HB ALA 72 2HB ALA 72 -11.175 12.275 15.028 468 H SER 73 H SER 73 -7.969 12.212 17.310 469 HA SER 73 HA SER 73 -8.470 14.946 18.437 470 1HB SER 73 1HB SER 73 -6.269 13.063 19.298 471 2HB SER 73 2HB SER 73 -6.894 14.473 20.155 472 HG SER 73 HG SER 73 -7.650 12.000 20.449 473 H ILE 74 H ILE 74 -6.073 16.002 18.598 474 HA ILE 74 HA ILE 74 -4.750 15.623 15.938 475 HB ILE 74 HB ILE 74 -5.913 17.965 17.360 476 1HG1 ILE 74 1HG1 ILE 74 -6.238 18.715 15.012 477 2HG1 ILE 74 2HG1 ILE 74 -5.334 17.306 14.458 478 1HG2 ILE 74 1HG2 ILE 74 -3.200 18.031 16.069 479 2HG2 ILE 74 2HG2 ILE 74 -4.262 19.431 15.942 480 3HG2 ILE 74 3HG2 ILE 74 -3.754 18.849 17.528 481 1HD1 ILE 74 1HD1 ILE 74 -7.483 16.626 16.336 482 2HD1 ILE 74 2HD1 ILE 74 -8.072 17.394 14.863 483 3HD1 ILE 74 3HD1 ILE 74 -7.104 15.923 14.764 484 H VAL 75 H VAL 75 -3.145 14.262 16.986 485 HA VAL 75 HA VAL 75 -1.735 14.795 19.357 486 HB VAL 75 HB VAL 75 -1.584 12.715 18.089 487 1HG1 VAL 75 1HG1 VAL 75 -1.143 14.528 15.916 488 2HG1 VAL 75 2HG1 VAL 75 0.237 13.433 16.014 489 3HG1 VAL 75 3HG1 VAL 75 -1.394 12.783 15.849 490 1HG2 VAL 75 1HG2 VAL 75 0.561 14.024 19.264 491 2HG2 VAL 75 2HG2 VAL 75 0.531 12.323 18.801 492 3HG2 VAL 75 3HG2 VAL 75 1.206 13.525 17.700 493 H LYS 76 H LYS 76 -0.818 16.786 19.807 494 HA LYS 76 HA LYS 76 0.395 18.417 17.681 495 1HB LYS 76 1HB LYS 76 -0.774 18.775 20.228 496 2HB LYS 76 2HB LYS 76 0.907 19.279 20.397 497 1HG LYS 76 2HG LYS 76 0.159 21.250 19.530 498 2HG LYS 76 1HG LYS 76 0.262 20.400 17.987 499 1HD LYS 76 1HD LYS 76 -2.122 19.638 18.354 500 2HD LYS 76 2HD LYS 76 -2.187 20.722 19.743 501 1HE LYS 76 1HE LYS 76 -1.726 22.652 18.307 502 2HE LYS 76 2HE LYS 76 -1.527 21.589 16.902 503 1HZ LYS 76 1HZ LYS 76 -3.834 20.709 17.632 504 2HZ LYS 76 2HZ LYS 76 -3.966 22.190 18.451 505 3HZ LYS 76 3HZ LYS 76 -3.751 22.167 16.767 506 H GLU 77 H GLU 77 1.434 15.918 19.766 507 HA GLU 77 HA GLU 77 4.145 15.975 18.826 508 1HB GLU 77 1HB GLU 77 3.424 17.747 21.000 509 2HB GLU 77 2HB GLU 77 4.615 16.567 21.548 510 1HG GLU 77 1HG GLU 77 5.044 17.891 18.897 511 2HG GLU 77 2HG GLU 77 5.375 18.821 20.359 512 H GLY 78 H GLY 78 5.545 14.468 20.304 513 1HA GLY 78 2HA GLY 78 3.958 12.610 21.958 514 2HA GLY 78 1HA GLY 78 5.708 12.571 21.750 515 H GLU 79 H GLU 79 3.635 10.410 21.426 516 HA GLU 79 HA GLU 79 3.359 9.800 18.616 517 1HB GLU 79 1HB GLU 79 5.912 9.738 19.256 518 2HB GLU 79 2HB GLU 79 5.500 8.183 19.980 519 1HG GLU 79 1HG GLU 79 4.806 7.275 17.903 520 2HG GLU 79 2HG GLU 79 4.699 8.866 17.150 521 H ILE 80 H ILE 80 2.163 7.859 18.341 522 HA ILE 80 HA ILE 80 1.481 6.383 20.866 523 HB ILE 80 HB ILE 80 -0.269 7.176 18.514 524 1HG1 ILE 80 1HG1 ILE 80 -0.924 8.076 21.244 525 2HG1 ILE 80 2HG1 ILE 80 0.571 8.751 20.598 526 1HG2 ILE 80 1HG2 ILE 80 -0.915 5.006 19.509 527 2HG2 ILE 80 2HG2 ILE 80 -0.954 5.753 21.105 528 3HG2 ILE 80 3HG2 ILE 80 -2.111 6.251 19.871 529 1HD1 ILE 80 1HD1 ILE 80 -1.985 8.720 18.988 530 2HD1 ILE 80 2HD1 ILE 80 -1.597 10.042 20.089 531 3HD1 ILE 80 3HD1 ILE 80 -0.539 9.694 18.721 532 H ASP 81 H ASP 81 0.977 4.107 20.550 533 HA ASP 81 HA ASP 81 1.932 2.999 17.928 534 1HB ASP 81 1HB ASP 81 3.123 2.839 20.431 535 2HB ASP 81 2HB ASP 81 2.254 1.310 20.306 536 H MET 82 H MET 82 0.412 1.720 16.948 537 HA MET 82 HA MET 82 -1.607 0.319 18.653 538 1HB MET 82 2HB MET 82 -3.381 1.176 17.277 539 2HB MET 82 1HB MET 82 -2.373 2.560 17.700 540 1HG MET 82 1HG MET 82 -1.117 2.108 15.504 541 2HG MET 82 2HG MET 82 -2.461 1.045 15.085 542 1HE MET 82 1HE MET 82 -0.846 4.023 15.215 543 2HE MET 82 2HE MET 82 -1.650 4.582 13.741 544 3HE MET 82 3HE MET 82 -1.934 5.408 15.272 545 H ASP 83 H ASP 83 -3.064 -0.886 16.677 546 HA ASP 83 HA ASP 83 -1.293 -2.979 15.740 547 1HB ASP 83 1HB ASP 83 -3.851 -2.889 16.409 548 2HB ASP 83 2HB ASP 83 -4.072 -2.515 14.700 549 H MET 84 H MET 84 -1.584 -3.651 13.289 550 HA MET 84 HA MET 84 -0.426 -1.535 11.668 551 1HB MET 84 1HB MET 84 -0.857 -4.398 11.635 552 2HB MET 84 2HB MET 84 -1.261 -3.706 10.064 553 1HG MET 84 2HG MET 84 1.128 -4.307 10.161 554 2HG MET 84 1HG MET 84 0.931 -2.560 10.012 555 1HE MET 84 1HE MET 84 2.223 -5.379 11.404 556 2HE MET 84 2HE MET 84 3.683 -4.475 11.796 557 3HE MET 84 3HE MET 84 2.694 -5.170 13.089 558 H GLN 85 H GLN 85 -1.381 -0.722 9.655 559 HA GLN 85 HA GLN 85 -4.225 -1.158 9.099 560 1HB GLN 85 1HB GLN 85 -3.555 0.628 11.106 561 2HB GLN 85 2HB GLN 85 -3.725 1.677 9.698 562 1HG GLN 85 1HG GLN 85 -5.918 1.569 10.549 563 2HG GLN 85 2HG GLN 85 -5.929 0.359 9.266 564 2HE2 GLN 85 2HE2 GLN 85 -6.304 0.844 12.689 565 1HE2 GLN 85 1HE2 GLN 85 -6.497 -0.788 13.111 566 H GLN 86 H GLN 86 -4.919 0.506 7.321 567 HA GLN 86 HA GLN 86 -2.547 1.214 5.625 568 1HB GLN 86 1HB GLN 86 -4.154 -0.888 5.170 569 2HB GLN 86 2HB GLN 86 -5.130 0.360 4.394 570 1HG GLN 86 1HG GLN 86 -3.695 0.532 2.655 571 2HG GLN 86 2HG GLN 86 -2.291 0.583 3.722 572 2HE2 GLN 86 2HE2 GLN 86 -2.113 -0.934 1.362 573 1HE2 GLN 86 1HE2 GLN 86 -2.110 -2.587 1.746 574 H ILE 87 H ILE 87 -5.299 2.343 7.204 575 HA ILE 87 HA ILE 87 -5.924 4.437 5.193 576 HB ILE 87 HB ILE 87 -7.669 3.141 6.455 577 1HG1 ILE 87 1HG1 ILE 87 -9.086 5.032 6.847 578 2HG1 ILE 87 2HG1 ILE 87 -7.708 6.075 7.195 579 1HG2 ILE 87 1HG2 ILE 87 -6.020 4.044 8.672 580 2HG2 ILE 87 2HG2 ILE 87 -7.706 4.512 8.900 581 3HG2 ILE 87 3HG2 ILE 87 -7.286 2.817 8.654 582 1HD1 ILE 87 1HD1 ILE 87 -8.139 4.735 4.513 583 2HD1 ILE 87 2HD1 ILE 87 -8.704 6.365 4.879 584 3HD1 ILE 87 3HD1 ILE 87 -6.978 6.003 4.902 585 H LEU 88 H LEU 88 -3.424 4.162 7.133 586 HA LEU 88 HA LEU 88 -3.649 6.814 8.482 587 1HB LEU 88 1HB LEU 88 -2.490 4.275 9.062 588 2HB LEU 88 2HB LEU 88 -1.167 5.432 8.921 589 HG LEU 88 HG LEU 88 -2.041 5.338 11.237 590 1HD1 LEU 88 1HD1 LEU 88 -1.923 7.709 9.547 591 2HD1 LEU 88 2HD1 LEU 88 -3.003 7.944 10.920 592 3HD1 LEU 88 3HD1 LEU 88 -1.323 7.479 11.190 593 1HD2 LEU 88 1HD2 LEU 88 -4.400 4.755 10.461 594 2HD2 LEU 88 2HD2 LEU 88 -4.299 5.949 11.755 595 3HD2 LEU 88 3HD2 LEU 88 -4.608 6.468 10.097 596 H SER 89 H SER 89 -2.298 8.531 7.874 597 HA SER 89 HA SER 89 -0.341 8.023 5.665 598 1HB SER 89 1HB SER 89 -2.867 9.417 5.616 599 2HB SER 89 2HB SER 89 -1.561 10.553 5.280 600 HG SER 89 HG SER 89 -1.120 9.552 3.477 601 H ASP 90 H ASP 90 1.626 8.825 6.279 602 HA ASP 90 HA ASP 90 2.271 10.177 8.616 603 1HB ASP 90 1HB ASP 90 3.651 9.200 6.572 604 2HB ASP 90 2HB ASP 90 3.664 10.886 6.055 605 H GLU 91 H GLU 91 1.635 11.702 5.450 606 HA GLU 91 HA GLU 91 1.859 14.409 6.213 607 1HB GLU 91 1HB GLU 91 1.579 13.431 3.913 608 2HB GLU 91 2HB GLU 91 -0.122 13.155 4.284 609 1HG GLU 91 1HG GLU 91 -0.605 15.288 3.753 610 2HG GLU 91 2HG GLU 91 0.544 15.867 4.961 611 H GLU 92 H GLU 92 -0.694 12.082 6.807 612 HA GLU 92 HA GLU 92 -2.833 13.860 7.469 613 1HB GLU 92 1HB GLU 92 -2.607 11.243 7.143 614 2HB GLU 92 2HB GLU 92 -2.341 11.255 8.886 615 1HG GLU 92 1HG GLU 92 -4.491 12.831 8.840 616 2HG GLU 92 2HG GLU 92 -4.799 11.962 7.336 617 H VAL 93 H VAL 93 -0.357 12.306 9.536 618 HA VAL 93 HA VAL 93 -1.211 13.774 11.924 619 HB VAL 93 HB VAL 93 1.215 12.071 11.256 620 1HG1 VAL 93 1HG1 VAL 93 0.506 13.652 13.598 621 2HG1 VAL 93 2HG1 VAL 93 0.674 11.942 13.997 622 3HG1 VAL 93 3HG1 VAL 93 2.011 12.806 13.236 623 1HG2 VAL 93 1HG2 VAL 93 -1.118 11.030 11.120 624 2HG2 VAL 93 2HG2 VAL 93 0.012 10.249 12.226 625 3HG2 VAL 93 3HG2 VAL 93 -1.241 11.319 12.855 626 H GLU 94 H GLU 94 1.361 14.023 9.502 627 HA GLU 94 HA GLU 94 2.851 16.108 10.866 628 1HB GLU 94 1HB GLU 94 3.284 14.347 8.835 629 2HB GLU 94 2HB GLU 94 2.976 15.819 7.915 630 1HG GLU 94 1HG GLU 94 4.722 17.001 9.135 631 2HG GLU 94 2HG GLU 94 4.970 15.610 10.192 632 H GLU 95 H GLU 95 0.089 16.049 8.706 633 HA GLU 95 HA GLU 95 0.256 19.018 8.375 634 1HB GLU 95 1HB GLU 95 0.157 17.495 6.381 635 2HB GLU 95 2HB GLU 95 -1.430 16.953 6.929 636 1HG GLU 95 1HG GLU 95 -2.438 18.816 6.138 637 2HG GLU 95 2HG GLU 95 -1.224 19.865 6.868 638 H LYS 96 H LYS 96 -1.884 16.387 9.462 639 HA LYS 96 HA LYS 96 -3.767 18.469 10.526 640 1HB LYS 96 1HB LYS 96 -4.131 16.242 8.842 641 2HB LYS 96 2HB LYS 96 -4.798 15.758 10.401 642 1HG LYS 96 1HG LYS 96 -6.634 16.974 9.934 643 2HG LYS 96 2HG LYS 96 -5.636 18.426 9.990 644 1HD LYS 96 1HD LYS 96 -5.331 16.937 7.484 645 2HD LYS 96 2HD LYS 96 -6.986 17.484 7.756 646 1HE LYS 96 1HE LYS 96 -5.230 19.624 8.492 647 2HE LYS 96 2HE LYS 96 -4.757 19.046 6.883 648 1HZ LYS 96 1HZ LYS 96 -7.123 19.076 6.262 649 2HZ LYS 96 2HZ LYS 96 -7.512 19.737 7.778 650 3HZ LYS 96 3HZ LYS 96 -6.564 20.624 6.681 651 H ASP 97 H ASP 97 -1.540 16.002 11.395 652 HA ASP 97 HA ASP 97 -0.953 15.108 13.507 653 1HB ASP 97 1HB ASP 97 -2.331 17.697 13.953 654 2HB ASP 97 2HB ASP 97 -2.212 16.646 15.367 655 H VAL 98 H VAL 98 -3.780 14.623 12.120 656 HA VAL 98 HA VAL 98 -5.434 13.794 14.400 657 HB VAL 98 HB VAL 98 -6.365 14.703 12.303 658 1HG1 VAL 98 1HG1 VAL 98 -4.412 13.144 11.099 659 2HG1 VAL 98 2HG1 VAL 98 -5.902 12.279 10.722 660 3HG1 VAL 98 3HG1 VAL 98 -5.723 13.970 10.258 661 1HG2 VAL 98 1HG2 VAL 98 -7.203 12.386 13.659 662 2HG2 VAL 98 2HG2 VAL 98 -8.191 13.418 12.624 663 3HG2 VAL 98 3HG2 VAL 98 -7.378 12.008 11.946 664 H ARG 99 H ARG 99 -5.184 11.853 15.410 665 HA ARG 99 HA ARG 99 -3.773 9.650 13.945 666 1HB ARG 99 1HB ARG 99 -3.108 10.882 16.263 667 2HB ARG 99 2HB ARG 99 -4.152 9.610 16.897 668 1HG ARG 99 1HG ARG 99 -2.135 8.474 16.854 669 2HG ARG 99 2HG ARG 99 -2.719 8.102 15.232 670 1HD ARG 99 1HD ARG 99 -1.299 9.717 14.228 671 2HD ARG 99 2HD ARG 99 -1.014 10.546 15.771 672 HE ARG 99 HE ARG 99 0.113 8.338 16.483 673 1HH1 ARG 99 1HH1 ARG 99 -0.616 7.231 13.655 674 2HH1 ARG 99 2HH1 ARG 99 0.946 7.274 12.909 675 1HH2 ARG 99 1HH2 ARG 99 2.342 9.319 15.340 676 2HH2 ARG 99 2HH2 ARG 99 2.622 8.458 13.862 677 H LEU 100 H LEU 100 -4.700 7.867 16.217 678 HA LEU 100 HA LEU 100 -7.522 7.466 15.270 679 1HB LEU 100 1HB LEU 100 -5.225 5.834 15.096 680 2HB LEU 100 2HB LEU 100 -6.227 5.110 16.353 681 HG LEU 100 HG LEU 100 -8.176 5.498 14.633 682 1HD1 LEU 100 1HD1 LEU 100 -6.049 6.547 13.177 683 2HD1 LEU 100 2HD1 LEU 100 -6.276 4.943 12.482 684 3HD1 LEU 100 3HD1 LEU 100 -7.619 6.084 12.521 685 1HD2 LEU 100 1HD2 LEU 100 -6.281 3.354 15.085 686 2HD2 LEU 100 2HD2 LEU 100 -8.009 3.253 14.752 687 3HD2 LEU 100 3HD2 LEU 100 -6.857 3.323 13.419 688 H THR 101 H THR 101 -5.327 6.677 17.995 689 HA THR 101 HA THR 101 -5.787 6.477 20.306 690 HB THR 101 HB THR 101 -6.833 8.437 21.157 691 HG1 THR 101 HG1 THR 101 -8.356 9.575 19.966 692 1HG2 THR 101 1HG2 THR 101 -4.867 8.690 19.414 693 2HG2 THR 101 2HG2 THR 101 -6.112 9.472 18.439 694 3HG2 THR 101 3HG2 THR 101 -5.699 10.119 20.027 695 H CYS 102 H CYS 102 -7.529 4.943 18.303 696 HA CYS 102 HA CYS 102 -10.136 4.782 19.687 697 1HB CYS 102 2HB CYS 102 -9.060 3.005 17.484 698 2HB CYS 102 1HB CYS 102 -10.740 3.412 17.829 699 H ILE 103 H ILE 103 -7.401 2.574 18.978 700 HA ILE 103 HA ILE 103 -7.884 1.206 21.573 701 HB ILE 103 HB ILE 103 -7.880 -0.140 18.850 702 1HG1 ILE 103 1HG1 ILE 103 -10.060 0.195 20.933 703 2HG1 ILE 103 2HG1 ILE 103 -9.994 1.011 19.371 704 1HG2 ILE 103 1HG2 ILE 103 -7.600 -1.131 21.642 705 2HG2 ILE 103 2HG2 ILE 103 -8.675 -2.049 20.587 706 3HG2 ILE 103 3HG2 ILE 103 -6.985 -1.816 20.138 707 1HD1 ILE 103 1HD1 ILE 103 -9.996 -2.003 19.664 708 2HD1 ILE 103 2HD1 ILE 103 -11.467 -1.057 19.437 709 3HD1 ILE 103 3HD1 ILE 103 -10.225 -1.069 18.186 710 H GLY 104 H GLY 104 -5.716 2.902 20.675 711 1HA GLY 104 2HA GLY 104 -3.415 2.479 19.735 712 2HA GLY 104 1HA GLY 104 -3.512 0.886 20.487 713 H SER 105 H SER 105 -1.416 1.792 21.467 714 HA SER 105 HA SER 105 -2.092 3.222 24.016 715 1HB SER 105 1HB SER 105 0.383 1.895 24.237 716 2HB SER 105 2HB SER 105 -1.158 1.363 24.908 717 HG SER 105 HG SER 105 -0.212 -0.207 23.537 718 HA PRO 106 HA PRO 106 0.661 6.421 22.792 719 1HB PRO 106 1HB PRO 106 1.496 7.305 25.244 720 2HB PRO 106 2HB PRO 106 -0.127 7.623 24.602 721 1HG PRO 106 1HG PRO 106 0.767 5.588 26.586 722 2HG PRO 106 2HG PRO 106 -0.713 6.557 26.555 723 1HD PRO 106 1HD PRO 106 -0.590 3.931 25.787 724 2HD PRO 106 2HD PRO 106 -1.789 5.086 25.169 725 H ALA 107 H ALA 107 2.954 6.882 22.638 726 HA ALA 107 HA ALA 107 4.693 4.621 23.552 727 1HB ALA 107 1HB ALA 107 4.650 6.477 21.179 728 2HB ALA 107 3HB ALA 107 4.669 4.714 21.195 729 3HB ALA 107 2HB ALA 107 6.126 5.616 21.612 730 H ALA 108 H ALA 108 5.419 7.941 22.501 731 HA ALA 108 HA ALA 108 7.624 8.384 24.186 732 1HB ALA 108 1HB ALA 108 6.934 9.800 22.293 733 2HB ALA 108 3HB ALA 108 7.113 10.779 23.749 734 3HB ALA 108 2HB ALA 108 5.505 10.317 23.189 735 H ASP 109 H ASP 109 7.793 9.587 26.212 736 HA ASP 109 HA ASP 109 5.940 8.794 28.245 737 1HB ASP 109 1HB ASP 109 8.342 9.366 28.549 738 2HB ASP 109 2HB ASP 109 7.972 11.050 28.184 739 H GLU 110 H GLU 110 6.559 12.067 26.910 740 HA GLU 110 HA GLU 110 3.865 12.906 27.896 741 1HB GLU 110 1HB GLU 110 6.177 14.049 28.390 742 2HB GLU 110 2HB GLU 110 6.000 14.702 26.761 743 1HG GLU 110 2HG GLU 110 4.640 16.294 27.592 744 2HG GLU 110 1HG GLU 110 3.490 15.032 28.038 745 H VAL 111 H VAL 111 2.301 12.738 26.330 746 HA VAL 111 HA VAL 111 3.097 13.250 23.485 747 HB VAL 111 HB VAL 111 0.653 11.784 24.497 748 1HG1 VAL 111 1HG1 VAL 111 2.030 12.223 21.901 749 2HG1 VAL 111 2HG1 VAL 111 1.399 10.601 22.181 750 3HG1 VAL 111 3HG1 VAL 111 0.315 11.991 22.239 751 1HG2 VAL 111 1HG2 VAL 111 3.492 10.961 24.493 752 2HG2 VAL 111 2HG2 VAL 111 2.134 10.311 25.409 753 3HG2 VAL 111 3HG2 VAL 111 2.388 9.813 23.737 754 H LYS 112 H LYS 112 2.151 14.982 22.479 755 HA LYS 112 HA LYS 112 0.060 16.502 23.970 756 1HB LYS 112 1HB LYS 112 1.710 17.252 21.536 757 2HB LYS 112 2HB LYS 112 0.791 18.348 22.567 758 1HG LYS 112 1HG LYS 112 2.437 16.986 24.354 759 2HG LYS 112 2HG LYS 112 3.473 17.258 22.952 760 1HD LYS 112 1HD LYS 112 1.833 19.592 23.630 761 2HD LYS 112 2HD LYS 112 2.928 19.121 24.930 762 1HE LYS 112 1HE LYS 112 4.420 18.917 22.520 763 2HE LYS 112 2HE LYS 112 3.566 20.471 22.465 764 1HZ LYS 112 1HZ LYS 112 4.804 19.571 24.982 765 2HZ LYS 112 2HZ LYS 112 5.785 20.272 23.785 766 3HZ LYS 112 3HZ LYS 112 4.493 21.152 24.448 767 H ILE 113 H ILE 113 -2.005 16.677 23.133 768 HA ILE 113 HA ILE 113 -2.548 16.148 20.294 769 HB ILE 113 HB ILE 113 -2.302 13.904 21.407 770 1HG1 ILE 113 1HG1 ILE 113 -5.113 13.709 20.866 771 2HG1 ILE 113 2HG1 ILE 113 -4.403 14.868 19.744 772 1HG2 ILE 113 1HG2 ILE 113 -3.741 15.170 23.450 773 2HG2 ILE 113 2HG2 ILE 113 -4.883 14.023 22.749 774 3HG2 ILE 113 3HG2 ILE 113 -3.331 13.456 23.367 775 1HD1 ILE 113 1HD1 ILE 113 -2.513 12.909 19.696 776 2HD1 ILE 113 2HD1 ILE 113 -3.966 11.948 19.975 777 3HD1 ILE 113 3HD1 ILE 113 -3.859 12.994 18.559 778 H VAL 114 H VAL 114 -4.712 16.740 19.723 779 HA VAL 114 HA VAL 114 -6.125 18.317 21.846 780 HB VAL 114 HB VAL 114 -5.258 18.815 19.096 781 1HG1 VAL 114 1HG1 VAL 114 -7.702 18.352 18.689 782 2HG1 VAL 114 2HG1 VAL 114 -8.080 19.670 19.799 783 3HG1 VAL 114 3HG1 VAL 114 -7.210 20.000 18.301 784 1HG2 VAL 114 1HG2 VAL 114 -4.950 20.111 21.357 785 2HG2 VAL 114 2HG2 VAL 114 -5.140 21.017 19.857 786 3HG2 VAL 114 3HG2 VAL 114 -6.512 20.820 20.948 787 H TYR 115 H TYR 115 -8.114 17.527 22.420 788 HA TYR 115 HA TYR 115 -9.298 15.331 20.842 789 1HB TYR 115 2HB TYR 115 -10.200 14.745 22.860 790 2HB TYR 115 1HB TYR 115 -9.015 15.873 23.507 791 HD1 TYR 115 HD1 TYR 115 -9.844 18.450 23.422 792 HD2 TYR 115 HD2 TYR 115 -12.397 14.996 23.557 793 HE1 TYR 115 HE1 TYR 115 -11.681 19.840 24.332 794 HE2 TYR 115 HE2 TYR 115 -14.234 16.392 24.469 795 HH TYR 115 HH TYR 115 -14.929 18.588 24.701 796 H ASN 116 H ASN 116 -11.737 15.441 20.441 797 HA ASN 116 HA ASN 116 -13.638 16.537 19.546 798 1HB ASN 116 1HB ASN 116 -12.453 18.287 21.476 799 2HB ASN 116 2HB ASN 116 -12.959 19.262 20.100 800 2HD2 ASN 116 2HD2 ASN 116 -14.547 19.956 22.021 801 1HD2 ASN 116 1HD2 ASN 116 -16.016 19.108 22.079 802 H ALA 117 H ALA 117 -11.517 15.955 17.801 803 HA ALA 117 HA ALA 117 -10.577 18.227 16.297 804 1HB ALA 117 1HB ALA 117 -9.604 15.925 16.334 805 2HB ALA 117 3HB ALA 117 -9.923 16.492 14.694 806 3HB ALA 117 2HB ALA 117 -11.020 15.343 15.458 807 H LYS 118 H LYS 118 -13.669 16.790 16.528 808 HA LYS 118 HA LYS 118 -14.703 16.995 13.897 809 1HB LYS 118 1HB LYS 118 -16.873 17.228 15.117 810 2HB LYS 118 2HB LYS 118 -15.857 15.958 15.797 811 1HG LYS 118 1HG LYS 118 -15.553 17.081 17.756 812 2HG LYS 118 2HG LYS 118 -15.406 18.640 16.946 813 1HD LYS 118 1HD LYS 118 -18.007 17.151 17.413 814 2HD LYS 118 2HD LYS 118 -17.449 18.540 18.344 815 1HE LYS 118 1HE LYS 118 -17.294 19.757 16.049 816 2HE LYS 118 2HE LYS 118 -18.331 18.445 15.456 817 H HIS 119 H HIS 119 -13.664 19.471 16.066 818 HA HIS 119 HA HIS 119 -15.338 21.629 15.097 819 1HB HIS 119 1HB HIS 119 -12.711 21.405 16.582 820 2HB HIS 119 2HB HIS 119 -13.468 22.961 16.243 821 HD1 HIS 119 HD1 HIS 119 -16.370 22.478 16.804 822 HD2 HIS 119 HD2 HIS 119 -13.379 20.839 19.204 823 HE1 HIS 119 HE1 HIS 119 -17.444 21.970 19.040 824 H LEU 120 H LEU 120 -12.429 20.077 13.954 825 HA LEU 120 HA LEU 120 -11.047 21.944 12.473 826 1HB LEU 120 1HB LEU 120 -11.514 19.133 12.470 827 2HB LEU 120 2HB LEU 120 -11.598 19.675 10.794 828 HG LEU 120 HG LEU 120 -9.424 21.074 11.714 829 1HD1 LEU 120 1HD1 LEU 120 -9.753 18.569 13.312 830 2HD1 LEU 120 2HD1 LEU 120 -8.131 18.984 12.758 831 3HD1 LEU 120 3HD1 LEU 120 -9.029 20.108 13.777 832 1HD2 LEU 120 1HD2 LEU 120 -9.864 19.472 9.674 833 2HD2 LEU 120 2HD2 LEU 120 -8.210 19.738 10.227 834 3HD2 LEU 120 3HD2 LEU 120 -9.070 18.269 10.691 835 H ASP 121 H ASP 121 -11.902 23.600 11.260 836 HA ASP 121 HA ASP 121 -14.500 23.631 10.074 837 1HB ASP 121 1HB ASP 121 -11.946 25.153 9.457 838 2HB ASP 121 2HB ASP 121 -13.548 25.621 8.885 839 H TYR 122 H TYR 122 -11.377 22.508 8.881 840 HA TYR 122 HA TYR 122 -11.885 22.384 6.097 841 1HB TYR 122 1HB TYR 122 -9.767 21.926 7.482 842 2HB TYR 122 2HB TYR 122 -10.414 20.305 7.731 843 HD1 TYR 122 HD1 TYR 122 -9.764 22.762 4.970 844 HD2 TYR 122 HD2 TYR 122 -9.908 18.641 6.173 845 HE1 TYR 122 HE1 TYR 122 -8.909 22.082 2.743 846 HE2 TYR 122 HE2 TYR 122 -9.054 17.961 3.946 847 HH TYR 122 HH TYR 122 -7.692 20.152 1.755 848 H LEU 123 H LEU 123 -13.209 20.521 8.717 849 HA LEU 123 HA LEU 123 -14.382 18.558 6.779 850 1HB LEU 123 1HB LEU 123 -13.254 18.462 9.484 851 2HB LEU 123 2HB LEU 123 -14.816 17.652 9.372 852 HG LEU 123 HG LEU 123 -14.027 16.271 7.535 853 1HD1 LEU 123 1HD1 LEU 123 -12.099 18.382 7.284 854 2HD1 LEU 123 2HD1 LEU 123 -11.240 16.856 7.493 855 3HD1 LEU 123 3HD1 LEU 123 -12.403 17.040 6.180 856 1HD2 LEU 123 1HD2 LEU 123 -13.283 15.930 10.080 857 2HD2 LEU 123 2HD2 LEU 123 -12.720 14.852 8.803 858 3HD2 LEU 123 3HD2 LEU 123 -11.681 16.154 9.380 859 H GLN 124 H GLN 124 -15.093 21.112 9.028 860 HA GLN 124 HA GLN 124 -17.771 20.535 9.751 861 1HB GLN 124 1HB GLN 124 -16.338 22.341 10.658 862 2HB GLN 124 2HB GLN 124 -16.437 23.186 9.112 863 1HG GLN 124 1HG GLN 124 -18.397 24.110 9.713 864 2HG GLN 124 2HG GLN 124 -19.092 22.512 9.985 865 2HE2 GLN 124 2HE2 GLN 124 -17.693 21.554 12.170 866 1HE2 GLN 124 1HE2 GLN 124 -17.895 22.581 13.507 867 H ASN 125 H ASN 125 -16.434 21.886 6.769 868 HA ASN 125 HA ASN 125 -18.915 22.763 5.606 869 1HB ASN 125 1HB ASN 125 -16.240 21.882 4.481 870 2HB ASN 125 2HB ASN 125 -17.511 22.607 3.498 871 2HD2 ASN 125 2HD2 ASN 125 -16.734 24.709 3.103 872 1HD2 ASN 125 1HD2 ASN 125 -16.233 25.787 4.315 873 H ARG 126 H ARG 126 -17.525 19.627 6.075 874 HA ARG 126 HA ARG 126 -19.033 18.338 3.900 875 1HB ARG 126 2HB ARG 126 -17.402 17.268 6.227 876 2HB ARG 126 1HB ARG 126 -17.963 16.314 4.854 877 1HG ARG 126 1HG ARG 126 -16.169 18.748 4.627 878 2HG ARG 126 2HG ARG 126 -15.593 17.081 4.605 879 1HD ARG 126 1HD ARG 126 -17.121 16.662 2.631 880 2HD ARG 126 2HD ARG 126 -17.444 18.406 2.595 881 HE ARG 126 HE ARG 126 -14.598 17.573 2.625 882 1HH1 ARG 126 1HH1 ARG 126 -16.932 17.434 0.287 883 2HH1 ARG 126 2HH1 ARG 126 -16.218 18.597 -0.779 884 1HH2 ARG 126 1HH2 ARG 126 -13.840 19.637 1.519 885 2HH2 ARG 126 2HH2 ARG 126 -14.468 19.845 -0.081 886 H VAL 127 H VAL 127 -19.616 19.258 7.165 887 HA VAL 127 HA VAL 127 -21.306 17.227 8.150 888 HB VAL 127 HB VAL 127 -20.438 19.365 9.249 889 1HG1 VAL 127 1HG1 VAL 127 -21.840 20.574 7.189 890 2HG1 VAL 127 2HG1 VAL 127 -22.906 20.800 8.576 891 3HG1 VAL 127 3HG1 VAL 127 -21.245 21.392 8.635 892 1HG2 VAL 127 1HG2 VAL 127 -23.002 18.002 9.583 893 2HG2 VAL 127 2HG2 VAL 127 -21.833 18.501 10.805 894 3HG2 VAL 127 3HG2 VAL 127 -23.034 19.649 10.213 895 H ILE 128 H ILE 128 -21.856 19.521 5.577 896 HA ILE 128 HA ILE 128 -24.721 19.536 5.542 897 HB ILE 128 HB ILE 128 -24.390 20.427 3.308 898 1HG1 ILE 128 1HG1 ILE 128 -21.649 19.153 3.540 899 2HG1 ILE 128 2HG1 ILE 128 -22.918 18.744 2.384 900 1HG2 ILE 128 1HG2 ILE 128 -22.946 21.313 5.604 901 2HG2 ILE 128 2HG2 ILE 128 -21.915 21.565 4.196 902 3HG2 ILE 128 3HG2 ILE 128 -23.527 22.280 4.249 903 1HD1 ILE 128 1HD1 ILE 128 -21.677 21.501 2.550 904 2HD1 ILE 128 2HD1 ILE 128 -21.062 20.238 1.484 905 3HD1 ILE 128 3HD1 ILE 128 -22.699 20.854 1.267 No H/Q in entry = 905 Start of MODEL 6 1 H2 PRO 1 H2 PRO 1 3.621 8.207 30.929 2 H3 PRO 1 H3 PRO 1 4.677 7.381 29.880 3 HA PRO 1 HA PRO 1 3.194 7.633 28.260 4 1HB PRO 1 1HB PRO 1 0.972 6.223 29.010 5 2HB PRO 1 2HB PRO 1 2.493 5.448 28.527 6 1HG PRO 1 2HG PRO 1 1.403 5.961 31.253 7 2HG PRO 1 1HG PRO 1 2.253 4.540 30.630 8 1HD PRO 1 1HD PRO 1 3.448 6.443 32.164 9 2HD PRO 1 2HD PRO 1 4.321 5.482 30.954 10 H THR 2 H THR 2 3.087 10.000 29.220 11 HA THR 2 HA THR 2 0.341 10.617 30.226 12 HB THR 2 HB THR 2 2.723 12.466 30.013 13 HG1 THR 2 HG1 THR 2 3.247 11.768 32.107 14 1HG2 THR 2 1HG2 THR 2 0.153 12.371 31.571 15 2HG2 THR 2 2HG2 THR 2 1.527 13.296 32.176 16 3HG2 THR 2 3HG2 THR 2 0.816 13.693 30.611 17 H VAL 3 H VAL 3 -1.070 11.762 28.921 18 HA VAL 3 HA VAL 3 0.016 12.940 26.386 19 HB VAL 3 HB VAL 3 -2.577 11.404 26.753 20 1HG1 VAL 3 1HG1 VAL 3 -1.147 12.669 24.424 21 2HG1 VAL 3 2HG1 VAL 3 -2.223 11.297 24.165 22 3HG1 VAL 3 3HG1 VAL 3 -2.849 12.787 24.873 23 1HG2 VAL 3 1HG2 VAL 3 0.156 10.484 26.447 24 2HG2 VAL 3 2HG2 VAL 3 -1.313 9.538 26.686 25 3HG2 VAL 3 3HG2 VAL 3 -0.819 10.002 25.059 26 H GLU 4 H GLU 4 -0.304 15.123 26.648 27 HA GLU 4 HA GLU 4 -2.463 16.196 28.309 28 1HB GLU 4 1HB GLU 4 0.046 16.977 27.492 29 2HB GLU 4 2HB GLU 4 -0.991 17.973 26.470 30 1HG GLU 4 1HG GLU 4 -1.789 19.184 28.235 31 2HG GLU 4 2HG GLU 4 -1.798 17.791 29.317 32 H TYR 5 H TYR 5 -4.531 16.227 27.486 33 HA TYR 5 HA TYR 5 -4.955 16.451 24.559 34 1HB TYR 5 1HB TYR 5 -7.274 15.906 25.182 35 2HB TYR 5 2HB TYR 5 -6.158 14.788 25.964 36 HD1 TYR 5 HD1 TYR 5 -8.350 17.725 26.476 37 HD2 TYR 5 HD2 TYR 5 -5.826 14.804 28.357 38 HE1 TYR 5 HE1 TYR 5 -9.236 18.389 28.696 39 HE2 TYR 5 HE2 TYR 5 -6.711 15.466 30.576 40 HH TYR 5 HH TYR 5 -8.116 16.777 31.677 41 H LEU 6 H LEU 6 -5.846 18.274 23.588 42 HA LEU 6 HA LEU 6 -6.596 20.571 25.366 43 1HB LEU 6 1HB LEU 6 -4.269 20.288 23.878 44 2HB LEU 6 2HB LEU 6 -5.300 21.251 22.823 45 HG LEU 6 HG LEU 6 -4.453 21.879 25.659 46 1HD1 LEU 6 1HD1 LEU 6 -3.232 22.471 23.312 47 2HD1 LEU 6 2HD1 LEU 6 -4.334 23.843 23.434 48 3HD1 LEU 6 3HD1 LEU 6 -3.170 23.529 24.721 49 1HD2 LEU 6 1HD2 LEU 6 -6.918 22.554 24.283 50 2HD2 LEU 6 2HD2 LEU 6 -6.437 22.913 25.941 51 3HD2 LEU 6 3HD2 LEU 6 -5.979 24.006 24.635 52 H ASN 7 H ASN 7 -8.575 21.406 24.796 53 HA ASN 7 HA ASN 7 -10.151 20.346 22.650 54 1HB ASN 7 1HB ASN 7 -11.009 21.369 24.735 55 2HB ASN 7 2HB ASN 7 -10.371 22.933 24.230 56 2HD2 ASN 7 2HD2 ASN 7 -12.845 23.448 24.459 57 1HD2 ASN 7 1HD2 ASN 7 -13.797 23.207 23.074 58 H TYR 8 H TYR 8 -9.413 20.658 20.541 59 HA TYR 8 HA TYR 8 -7.870 22.828 19.578 60 1HB TYR 8 1HB TYR 8 -8.094 20.849 18.273 61 2HB TYR 8 2HB TYR 8 -9.855 20.916 18.337 62 HD1 TYR 8 HD1 TYR 8 -11.066 22.772 17.130 63 HD2 TYR 8 HD2 TYR 8 -6.873 22.016 16.592 64 HE1 TYR 8 HE1 TYR 8 -11.104 24.079 15.027 65 HE2 TYR 8 HE2 TYR 8 -6.908 23.330 14.487 66 HH TYR 8 HH TYR 8 -8.893 23.911 12.719 67 H GLU 9 H GLU 9 -11.358 22.501 20.029 68 HA GLU 9 HA GLU 9 -12.176 24.814 18.537 69 1HB GLU 9 1HB GLU 9 -13.293 22.759 20.132 70 2HB GLU 9 2HB GLU 9 -13.807 24.279 20.866 71 1HG GLU 9 1HG GLU 9 -14.790 25.040 18.823 72 2HG GLU 9 2HG GLU 9 -14.016 23.757 17.893 73 H THR 10 H THR 10 -11.256 24.356 21.954 74 HA THR 10 HA THR 10 -11.831 26.989 22.882 75 HB THR 10 HB THR 10 -9.728 24.943 23.666 76 HG1 THR 10 HG1 THR 10 -12.225 25.554 24.847 77 1HG2 THR 10 1HG2 THR 10 -10.113 27.641 24.560 78 2HG2 THR 10 2HG2 THR 10 -10.560 26.541 25.864 79 3HG2 THR 10 3HG2 THR 10 -8.954 26.446 25.143 80 H LEU 11 H LEU 11 -9.033 25.643 21.180 81 HA LEU 11 HA LEU 11 -7.255 27.872 21.522 82 1HB LEU 11 1HB LEU 11 -6.451 25.717 20.815 83 2HB LEU 11 2HB LEU 11 -7.565 25.683 19.448 84 HG LEU 11 HG LEU 11 -6.388 27.494 18.360 85 1HD1 LEU 11 1HD1 LEU 11 -4.962 27.669 21.012 86 2HD1 LEU 11 2HD1 LEU 11 -4.239 28.329 19.546 87 3HD1 LEU 11 3HD1 LEU 11 -5.786 28.949 20.122 88 1HD2 LEU 11 1HD2 LEU 11 -5.145 25.009 19.069 89 2HD2 LEU 11 2HD2 LEU 11 -4.932 25.957 17.598 90 3HD2 LEU 11 3HD2 LEU 11 -3.901 26.256 18.997 91 H ASP 12 H ASP 12 -9.656 27.066 19.011 92 HA ASP 12 HA ASP 12 -9.067 29.441 17.413 93 1HB ASP 12 1HB ASP 12 -9.926 27.213 16.594 94 2HB ASP 12 2HB ASP 12 -11.460 27.577 17.383 95 H ASP 13 H ASP 13 -11.474 28.523 19.853 96 HA ASP 13 HA ASP 13 -13.160 30.855 19.496 97 1HB ASP 13 1HB ASP 13 -13.422 28.465 20.683 98 2HB ASP 13 2HB ASP 13 -12.942 29.401 22.099 99 H GLN 14 H GLN 14 -10.542 30.014 21.775 100 HA GLN 14 HA GLN 14 -10.680 32.547 23.204 101 1HB GLN 14 1HB GLN 14 -9.630 30.041 23.610 102 2HB GLN 14 2HB GLN 14 -8.181 30.975 23.242 103 1HG GLN 14 1HG GLN 14 -8.793 32.617 24.977 104 2HG GLN 14 2HG GLN 14 -10.256 31.700 25.335 105 2HE2 GLN 14 2HE2 GLN 14 -8.609 31.979 27.485 106 1HE2 GLN 14 1HE2 GLN 14 -7.738 30.555 27.797 107 H GLY 15 H GLY 15 -9.320 31.564 20.204 108 1HA GLY 15 2HA GLY 15 -8.177 34.213 19.779 109 2HA GLY 15 1HA GLY 15 -8.167 32.884 18.619 110 H TRP 16 H TRP 16 -7.008 31.130 20.846 111 HA TRP 16 HA TRP 16 -4.333 32.283 21.286 112 1HB TRP 16 1HB TRP 16 -6.050 30.224 22.359 113 2HB TRP 16 2HB TRP 16 -4.462 29.546 22.003 114 HD1 TRP 16 HD1 TRP 16 -2.618 30.002 23.700 115 HE1 TRP 16 HE1 TRP 16 -2.326 31.585 25.715 116 HE3 TRP 16 HE3 TRP 16 -6.867 32.802 23.249 117 HZ2 TRP 16 HZ2 TRP 16 -3.710 33.751 26.967 118 HZ3 TRP 16 HZ3 TRP 16 -7.354 34.616 24.864 119 HH2 TRP 16 HH2 TRP 16 -5.782 35.095 26.722 120 H ASP 17 H ASP 17 -2.615 30.216 20.967 121 HA ASP 17 HA ASP 17 -2.851 29.460 18.071 122 1HB ASP 17 1HB ASP 17 -0.761 30.808 19.694 123 2HB ASP 17 2HB ASP 17 -0.179 29.625 18.522 124 H MET 18 H MET 18 -1.202 27.597 17.601 125 HA MET 18 HA MET 18 -1.806 25.395 19.430 126 1HB MET 18 1HB MET 18 -0.674 25.859 16.734 127 2HB MET 18 2HB MET 18 -0.058 24.430 17.563 128 1HG MET 18 1HG MET 18 -2.614 24.025 18.103 129 2HG MET 18 2HG MET 18 -2.860 25.059 16.696 130 1HE MET 18 1HE MET 18 -4.064 22.429 16.672 131 2HE MET 18 2HE MET 18 -3.186 21.032 16.031 132 3HE MET 18 3HE MET 18 -2.906 21.571 17.685 133 H ASP 19 H ASP 19 1.194 26.996 18.296 134 HA ASP 19 HA ASP 19 2.556 25.927 20.749 135 1HB ASP 19 1HB ASP 19 3.184 24.879 18.548 136 2HB ASP 19 2HB ASP 19 3.734 26.464 18.005 137 H ASP 20 H ASP 20 1.683 28.692 18.914 138 HA ASP 20 HA ASP 20 3.844 30.472 19.540 139 1HB ASP 20 1HB ASP 20 1.474 30.489 18.103 140 2HB ASP 20 2HB ASP 20 1.150 31.635 19.405 141 H ASP 21 H ASP 21 0.569 30.462 21.011 142 HA ASP 21 HA ASP 21 1.539 31.897 23.369 143 1HB ASP 21 1HB ASP 21 -1.023 30.858 22.245 144 2HB ASP 21 2HB ASP 21 -0.971 31.147 23.984 145 H ASP 22 H ASP 22 1.882 28.745 22.458 146 HA ASP 22 HA ASP 22 2.220 26.724 23.636 147 1HB ASP 22 1HB ASP 22 3.335 29.012 25.054 148 2HB ASP 22 2HB ASP 22 2.950 27.694 26.160 149 H LEU 23 H LEU 23 -0.462 27.296 23.554 150 HA LEU 23 HA LEU 23 -1.928 27.678 25.905 151 1HB LEU 23 1HB LEU 23 -2.554 27.175 23.397 152 2HB LEU 23 2HB LEU 23 -2.630 25.502 23.948 153 HG LEU 23 HG LEU 23 -4.294 26.071 25.622 154 1HD1 LEU 23 1HD1 LEU 23 -3.261 28.747 25.147 155 2HD1 LEU 23 2HD1 LEU 23 -5.022 28.717 25.047 156 3HD1 LEU 23 3HD1 LEU 23 -4.211 28.146 26.506 157 1HD2 LEU 23 1HD2 LEU 23 -4.766 27.094 22.827 158 2HD2 LEU 23 2HD2 LEU 23 -5.363 25.614 23.577 159 3HD2 LEU 23 3HD2 LEU 23 -6.046 27.172 24.037 160 H PHE 24 H PHE 24 -0.495 24.629 24.707 161 HA PHE 24 HA PHE 24 -1.410 22.851 26.691 162 1HB PHE 24 1HB PHE 24 1.013 23.128 24.948 163 2HB PHE 24 2HB PHE 24 1.017 21.871 26.184 164 HD1 PHE 24 HD1 PHE 24 -1.241 20.453 26.317 165 HD2 PHE 24 HD2 PHE 24 0.116 22.614 22.862 166 HE1 PHE 24 HE1 PHE 24 -2.656 19.023 24.867 167 HE2 PHE 24 HE2 PHE 24 -1.297 21.183 21.412 168 HZ PHE 24 HZ PHE 24 -2.684 19.389 22.414 169 H GLU 25 H GLU 25 0.912 25.437 26.907 170 HA GLU 25 HA GLU 25 1.807 24.496 29.601 171 1HB GLU 25 1HB GLU 25 3.004 25.791 27.312 172 2HB GLU 25 2HB GLU 25 3.218 26.795 28.746 173 1HG GLU 25 1HG GLU 25 3.678 24.064 29.478 174 2HG GLU 25 2HG GLU 25 4.636 24.423 28.042 175 H LYS 26 H LYS 26 0.439 27.314 27.895 176 HA LYS 26 HA LYS 26 0.242 28.948 30.297 177 1HB LYS 26 1HB LYS 26 -0.215 29.110 27.438 178 2HB LYS 26 2HB LYS 26 -1.559 29.841 28.317 179 1HG LYS 26 1HG LYS 26 -0.050 31.290 29.539 180 2HG LYS 26 2HG LYS 26 1.357 30.467 28.865 181 1HD LYS 26 1HD LYS 26 1.249 31.641 26.929 182 2HD LYS 26 2HD LYS 26 -0.500 31.452 26.815 183 1HE LYS 26 1HE LYS 26 -0.901 33.465 27.837 184 2HE LYS 26 2HE LYS 26 0.436 33.253 28.983 185 1HZ LYS 26 1HZ LYS 26 1.984 33.607 27.118 186 2HZ LYS 26 2HZ LYS 26 0.668 33.924 26.091 187 3HZ LYS 26 3HZ LYS 26 1.002 34.966 27.391 188 H ALA 27 H ALA 27 -1.841 26.651 28.634 189 HA ALA 27 HA ALA 27 -4.339 27.361 29.842 190 1HB ALA 27 1HB ALA 27 -3.908 25.853 27.866 191 2HB ALA 27 2HB ALA 27 -3.316 24.632 28.991 192 3HB ALA 27 3HB ALA 27 -5.000 25.151 29.060 193 H ALA 28 H ALA 28 -1.515 25.807 31.113 194 HA ALA 28 HA ALA 28 -2.820 24.335 33.256 195 1HB ALA 28 1HB ALA 28 0.018 25.321 33.316 196 2HB ALA 28 3HB ALA 28 -0.458 24.146 32.091 197 3HB ALA 28 2HB ALA 28 -0.620 23.750 33.802 198 H ASP 29 H ASP 29 -1.721 27.623 32.797 199 HA ASP 29 HA ASP 29 -1.813 28.249 35.685 200 1HB ASP 29 1HB ASP 29 -0.868 29.435 33.156 201 2HB ASP 29 2HB ASP 29 -1.532 30.607 34.295 202 H ALA 30 H ALA 30 -4.105 27.848 33.305 203 HA ALA 30 HA ALA 30 -5.838 30.081 34.259 204 1HB ALA 30 1HB ALA 30 -7.080 28.620 32.200 205 2HB ALA 30 3HB ALA 30 -5.367 28.645 31.782 206 3HB ALA 30 2HB ALA 30 -6.236 30.159 32.035 207 H GLY 31 H GLY 31 -6.497 26.739 33.210 208 1HA GLY 31 2HA GLY 31 -8.125 26.391 35.695 209 2HA GLY 31 1HA GLY 31 -7.277 25.066 34.899 210 H LEU 32 H LEU 32 -7.941 25.494 32.239 211 HA LEU 32 HA LEU 32 -10.717 26.041 31.754 212 1HB LEU 32 1HB LEU 32 -8.592 24.425 30.316 213 2HB LEU 32 2HB LEU 32 -10.175 24.773 29.620 214 HG LEU 32 HG LEU 32 -8.232 26.888 30.595 215 1HD1 LEU 32 1HD1 LEU 32 -8.414 25.397 28.087 216 2HD1 LEU 32 2HD1 LEU 32 -8.559 27.138 27.842 217 3HD1 LEU 32 3HD1 LEU 32 -7.142 26.476 28.657 218 1HD2 LEU 32 1HD2 LEU 32 -10.851 27.005 29.071 219 2HD2 LEU 32 2HD2 LEU 32 -10.542 27.634 30.690 220 3HD2 LEU 32 3HD2 LEU 32 -9.773 28.384 29.291 221 H ASP 33 H ASP 33 -12.172 24.196 30.817 222 HA ASP 33 HA ASP 33 -12.829 22.343 32.869 223 1HB ASP 33 1HB ASP 33 -13.809 23.234 30.397 224 2HB ASP 33 2HB ASP 33 -13.594 21.495 30.190 225 H GLY 34 H GLY 34 -12.725 19.930 32.690 226 1HA GLY 34 2HA GLY 34 -11.230 18.085 32.730 227 2HA GLY 34 1HA GLY 34 -10.030 19.074 31.899 228 H GLU 35 H GLU 35 -13.252 18.942 30.612 229 HA GLU 35 HA GLU 35 -12.784 16.707 28.794 230 1HB GLU 35 1HB GLU 35 -14.994 17.455 29.714 231 2HB GLU 35 2HB GLU 35 -14.851 18.930 28.759 232 1HG GLU 35 1HG GLU 35 -14.344 16.906 26.918 233 2HG GLU 35 2HG GLU 35 -15.637 16.244 27.918 234 H ASP 36 H ASP 36 -11.523 19.782 28.869 235 HA ASP 36 HA ASP 36 -11.319 19.916 25.874 236 1HB ASP 36 1HB ASP 36 -11.397 22.096 27.988 237 2HB ASP 36 2HB ASP 36 -11.166 22.387 26.265 238 H TYR 37 H TYR 37 -9.659 20.860 28.915 239 HA TYR 37 HA TYR 37 -7.059 20.232 27.559 240 1HB TYR 37 1HB TYR 37 -7.313 22.625 27.567 241 2HB TYR 37 2HB TYR 37 -7.873 22.617 29.240 242 HD1 TYR 37 HD1 TYR 37 -4.982 21.045 27.426 243 HD2 TYR 37 HD2 TYR 37 -6.286 23.513 30.691 244 HE1 TYR 37 HE1 TYR 37 -2.639 21.241 28.215 245 HE2 TYR 37 HE2 TYR 37 -3.942 23.708 31.479 246 HH TYR 37 HH TYR 37 -1.716 21.979 31.064 247 H GLY 38 H GLY 38 -5.542 19.202 28.897 248 1HA GLY 38 2HA GLY 38 -6.586 18.059 31.388 249 2HA GLY 38 1HA GLY 38 -5.228 19.161 31.615 250 H THR 39 H THR 39 -4.115 17.172 32.423 251 HA THR 39 HA THR 39 -2.576 15.918 30.252 252 HB THR 39 HB THR 39 -2.488 15.466 33.250 253 HG1 THR 39 HG1 THR 39 -1.202 17.414 31.639 254 1HG2 THR 39 1HG2 THR 39 -1.196 14.080 31.345 255 2HG2 THR 39 2HG2 THR 39 -0.084 15.441 31.495 256 3HG2 THR 39 3HG2 THR 39 -0.459 14.450 32.904 257 H MET 40 H MET 40 -3.231 14.020 29.325 258 HA MET 40 HA MET 40 -5.331 12.393 30.614 259 1HB MET 40 1HB MET 40 -5.072 13.110 28.128 260 2HB MET 40 2HB MET 40 -3.877 11.819 28.035 261 1HG MET 40 1HG MET 40 -5.824 10.440 29.238 262 2HG MET 40 2HG MET 40 -6.833 11.645 28.437 263 1HE MET 40 1HE MET 40 -7.101 12.154 26.468 264 2HE MET 40 2HE MET 40 -7.548 10.790 25.433 265 3HE MET 40 3HE MET 40 -6.133 11.766 25.047 266 H GLU 41 H GLU 41 -4.637 10.916 32.120 267 HA GLU 41 HA GLU 41 -1.930 9.772 32.019 268 1HB GLU 41 1HB GLU 41 -3.967 10.281 33.919 269 2HB GLU 41 2HB GLU 41 -3.760 8.530 33.883 270 1HG GLU 41 1HG GLU 41 -2.074 9.021 35.364 271 2HG GLU 41 2HG GLU 41 -1.168 9.265 33.872 272 H VAL 42 H VAL 42 -1.685 8.250 30.377 273 HA VAL 42 HA VAL 42 -3.846 6.201 30.048 274 HB VAL 42 HB VAL 42 -1.545 6.842 28.189 275 1HG1 VAL 42 1HG1 VAL 42 -4.186 5.400 27.977 276 2HG1 VAL 42 2HG1 VAL 42 -3.387 6.043 26.542 277 3HG1 VAL 42 3HG1 VAL 42 -2.580 4.826 27.530 278 1HG2 VAL 42 1HG2 VAL 42 -2.906 8.888 28.733 279 2HG2 VAL 42 2HG2 VAL 42 -2.995 8.407 27.039 280 3HG2 VAL 42 3HG2 VAL 42 -4.330 8.040 28.132 281 H ALA 43 H ALA 43 -3.353 4.374 31.205 282 HA ALA 43 HA ALA 43 -0.820 3.628 32.225 283 1HB ALA 43 1HB ALA 43 -3.116 2.771 32.833 284 2HB ALA 43 3HB ALA 43 -1.917 1.496 32.625 285 3HB ALA 43 2HB ALA 43 -3.093 1.816 31.351 286 H GLU 44 H GLU 44 0.590 1.837 31.487 287 HA GLU 44 HA GLU 44 1.298 2.034 28.699 288 1HB GLU 44 1HB GLU 44 2.050 0.032 30.855 289 2HB GLU 44 2HB GLU 44 2.931 0.287 29.349 290 1HG GLU 44 1HG GLU 44 3.484 2.554 29.978 291 2HG GLU 44 2HG GLU 44 2.423 2.475 31.384 292 H GLY 45 H GLY 45 0.149 1.079 27.071 293 1HA GLY 45 2HA GLY 45 -0.768 -1.720 27.441 294 2HA GLY 45 1HA GLY 45 -0.609 -0.888 25.894 295 H GLU 46 H GLU 46 -2.048 1.214 28.048 296 HA GLU 46 HA GLU 46 -4.804 0.221 27.828 297 1HB GLU 46 1HB GLU 46 -3.318 1.946 29.464 298 2HB GLU 46 2HB GLU 46 -4.443 3.003 28.610 299 1HG GLU 46 1HG GLU 46 -6.286 1.381 29.247 300 2HG GLU 46 2HG GLU 46 -5.115 0.572 30.289 301 H TYR 47 H TYR 47 -6.422 1.137 26.492 302 HA TYR 47 HA TYR 47 -5.541 2.301 23.982 303 1HB TYR 47 2HB TYR 47 -8.357 2.183 25.086 304 2HB TYR 47 1HB TYR 47 -7.849 2.081 23.401 305 HD1 TYR 47 HD1 TYR 47 -5.405 0.239 24.064 306 HD2 TYR 47 HD2 TYR 47 -9.586 0.067 25.030 307 HE1 TYR 47 HE1 TYR 47 -5.258 -2.229 24.262 308 HE2 TYR 47 HE2 TYR 47 -9.439 -2.402 25.227 309 HH TYR 47 HH TYR 47 -6.488 -4.139 24.370 310 H ILE 48 H ILE 48 -5.496 4.461 23.414 311 HA ILE 48 HA ILE 48 -5.409 6.559 25.263 312 HB ILE 48 HB ILE 48 -6.251 6.514 22.349 313 1HG1 ILE 48 1HG1 ILE 48 -3.993 5.559 22.996 314 2HG1 ILE 48 2HG1 ILE 48 -3.927 6.924 21.880 315 1HG2 ILE 48 1HG2 ILE 48 -5.442 8.785 24.179 316 2HG2 ILE 48 2HG2 ILE 48 -5.380 8.908 22.421 317 3HG2 ILE 48 3HG2 ILE 48 -6.923 8.640 23.232 318 1HD1 ILE 48 1HD1 ILE 48 -3.607 8.429 23.886 319 2HD1 ILE 48 2HD1 ILE 48 -3.444 6.976 24.873 320 3HD1 ILE 48 3HD1 ILE 48 -2.274 7.312 23.597 321 H LEU 49 H LEU 49 -8.212 5.754 23.157 322 HA LEU 49 HA LEU 49 -10.041 7.628 24.208 323 1HB LEU 49 2HB LEU 49 -11.680 6.259 23.132 324 2HB LEU 49 1HB LEU 49 -10.197 6.022 22.209 325 HG LEU 49 HG LEU 49 -9.803 4.035 23.886 326 1HD1 LEU 49 1HD1 LEU 49 -12.372 4.994 24.686 327 2HD1 LEU 49 2HD1 LEU 49 -12.592 3.403 23.959 328 3HD1 LEU 49 3HD1 LEU 49 -11.486 3.605 25.317 329 1HD2 LEU 49 1HD2 LEU 49 -11.043 4.297 21.325 330 2HD2 LEU 49 2HD2 LEU 49 -10.156 2.915 21.968 331 3HD2 LEU 49 3HD2 LEU 49 -11.898 3.037 22.216 332 H GLU 50 H GLU 50 -8.920 4.585 25.564 333 HA GLU 50 HA GLU 50 -11.040 4.292 27.525 334 1HB GLU 50 1HB GLU 50 -9.522 2.499 26.623 335 2HB GLU 50 2HB GLU 50 -8.195 3.236 27.521 336 1HG GLU 50 1HG GLU 50 -9.827 3.033 29.566 337 2HG GLU 50 2HG GLU 50 -10.636 1.825 28.569 338 H ALA 51 H ALA 51 -7.668 5.493 27.714 339 HA ALA 51 HA ALA 51 -7.695 6.176 30.478 340 1HB ALA 51 1HB ALA 51 -5.755 7.578 29.819 341 2HB ALA 51 2HB ALA 51 -5.692 5.988 29.058 342 3HB ALA 51 3HB ALA 51 -6.214 7.391 28.127 343 H ALA 52 H ALA 52 -8.641 8.029 27.610 344 HA ALA 52 HA ALA 52 -9.209 10.460 29.135 345 1HB ALA 52 1HB ALA 52 -9.173 9.500 26.355 346 2HB ALA 52 3HB ALA 52 -10.442 10.680 26.677 347 3HB ALA 52 2HB ALA 52 -8.757 11.090 26.993 348 H GLU 53 H GLU 53 -11.095 7.840 27.676 349 HA GLU 53 HA GLU 53 -13.702 8.890 28.229 350 1HB GLU 53 1HB GLU 53 -13.400 7.097 26.667 351 2HB GLU 53 2HB GLU 53 -12.541 6.118 27.856 352 1HG GLU 53 1HG GLU 53 -15.294 6.983 28.585 353 2HG GLU 53 2HG GLU 53 -15.162 5.773 27.309 354 H ALA 54 H ALA 54 -11.325 7.283 30.236 355 HA ALA 54 HA ALA 54 -13.193 6.552 32.366 356 1HB ALA 54 1HB ALA 54 -10.272 6.472 31.783 357 2HB ALA 54 3HB ALA 54 -10.733 6.454 33.485 358 3HB ALA 54 2HB ALA 54 -11.327 5.199 32.398 359 H GLN 55 H GLN 55 -11.603 9.434 31.385 360 HA GLN 55 HA GLN 55 -11.711 10.634 34.108 361 1HB GLN 55 2HB GLN 55 -10.721 11.730 31.456 362 2HB GLN 55 1HB GLN 55 -10.399 12.405 33.053 363 1HG GLN 55 1HG GLN 55 -9.659 9.652 33.120 364 2HG GLN 55 2HG GLN 55 -8.950 10.358 31.668 365 2HE2 GLN 55 2HE2 GLN 55 -8.603 10.103 35.078 366 1HE2 GLN 55 1HE2 GLN 55 -7.402 11.285 35.274 367 H GLY 56 H GLY 56 -13.456 10.541 31.109 368 1HA GLY 56 2HA GLY 56 -15.264 12.682 32.147 369 2HA GLY 56 1HA GLY 56 -15.794 11.341 31.131 370 H TYR 57 H TYR 57 -13.474 11.539 29.333 371 HA TYR 57 HA TYR 57 -13.751 14.241 28.126 372 1HB TYR 57 1HB TYR 57 -11.996 11.831 27.558 373 2HB TYR 57 2HB TYR 57 -11.877 13.365 26.698 374 HD1 TYR 57 HD1 TYR 57 -12.871 14.343 29.844 375 HD2 TYR 57 HD2 TYR 57 -9.448 12.665 27.861 376 HE1 TYR 57 HE1 TYR 57 -11.401 15.229 31.631 377 HE2 TYR 57 HE2 TYR 57 -7.979 13.552 29.650 378 HH TYR 57 HH TYR 57 -9.192 14.754 32.597 379 H ASP 58 H ASP 58 -14.655 14.554 26.068 380 HA ASP 58 HA ASP 58 -16.187 12.236 24.957 381 1HB ASP 58 1HB ASP 58 -17.706 13.898 24.145 382 2HB ASP 58 2HB ASP 58 -17.270 14.422 25.771 383 H TRP 59 H TRP 59 -16.066 11.844 22.663 384 HA TRP 59 HA TRP 59 -13.987 13.374 21.164 385 1HB TRP 59 2HB TRP 59 -14.143 10.356 21.452 386 2HB TRP 59 1HB TRP 59 -12.951 11.239 20.498 387 HD1 TRP 59 HD1 TRP 59 -14.094 10.790 24.142 388 HE1 TRP 59 HE1 TRP 59 -12.112 11.347 25.693 389 HE3 TRP 59 HE3 TRP 59 -10.683 12.379 20.689 390 HZ2 TRP 59 HZ2 TRP 59 -9.436 12.326 25.500 391 HZ3 TRP 59 HZ3 TRP 59 -8.427 13.115 21.402 392 HH2 TRP 59 HH2 TRP 59 -7.800 13.090 23.799 393 HA PRO 60 HA PRO 60 -17.271 13.036 18.191 394 1HB PRO 60 1HB PRO 60 -15.961 14.305 16.149 395 2HB PRO 60 2HB PRO 60 -16.692 15.169 17.515 396 1HG PRO 60 2HG PRO 60 -13.842 14.440 17.031 397 2HG PRO 60 1HG PRO 60 -14.524 15.919 17.722 398 1HD PRO 60 1HD PRO 60 -13.412 13.923 19.216 399 2HD PRO 60 2HD PRO 60 -14.673 15.017 19.821 400 H PHE 61 H PHE 61 -17.060 12.511 15.577 401 HA PHE 61 HA PHE 61 -16.475 10.893 13.951 402 1HB PHE 61 1HB PHE 61 -14.172 11.742 14.861 403 2HB PHE 61 2HB PHE 61 -14.122 10.188 15.694 404 HD1 PHE 61 HD1 PHE 61 -14.576 8.069 14.258 405 HD2 PHE 61 HD2 PHE 61 -13.514 11.890 12.610 406 HE1 PHE 61 HE1 PHE 61 -13.858 6.963 12.157 407 HE2 PHE 61 HE2 PHE 61 -12.797 10.786 10.508 408 HZ PHE 61 HZ PHE 61 -12.969 8.321 10.282 409 H SER 62 H SER 62 -16.894 8.663 13.676 410 HA SER 62 HA SER 62 -16.703 6.683 15.750 411 1HB SER 62 1HB SER 62 -18.912 8.533 15.856 412 2HB SER 62 2HB SER 62 -19.529 6.913 15.536 413 HG SER 62 HG SER 62 -18.419 7.940 17.796 414 H CYS 63 H CYS 63 -16.517 4.851 14.528 415 HA CYS 63 HA CYS 63 -17.264 4.694 11.762 416 1HB CYS 63 2HB CYS 63 -16.737 2.472 13.762 417 2HB CYS 63 1HB CYS 63 -16.527 2.385 12.013 418 H ARG 64 H ARG 64 -19.621 5.523 12.459 419 HA ARG 64 HA ARG 64 -21.925 4.988 12.423 420 1HB ARG 64 1HB ARG 64 -20.706 3.296 10.770 421 2HB ARG 64 2HB ARG 64 -21.182 2.117 11.991 422 1HG ARG 64 1HG ARG 64 -23.517 2.768 11.781 423 2HG ARG 64 2HG ARG 64 -23.089 4.082 10.685 424 1HD ARG 64 1HD ARG 64 -22.521 1.154 10.098 425 2HD ARG 64 2HD ARG 64 -23.933 2.035 9.483 426 HE ARG 64 HE ARG 64 -21.220 2.325 8.508 427 1HH1 ARG 64 1HH1 ARG 64 -21.343 5.028 9.391 428 2HH1 ARG 64 2HH1 ARG 64 -22.278 5.850 8.186 429 1HH2 ARG 64 1HH2 ARG 64 -23.640 2.943 6.877 430 2HH2 ARG 64 2HH2 ARG 64 -23.579 4.670 6.763 431 H ALA 65 H ALA 65 -19.964 4.311 14.840 432 HA ALA 65 HA ALA 65 -20.239 3.448 17.026 433 1HB ALA 65 1HB ALA 65 -23.130 3.761 16.145 434 2HB ALA 65 2HB ALA 65 -22.130 5.033 16.845 435 3HB ALA 65 3HB ALA 65 -22.582 3.632 17.816 436 H GLY 66 H GLY 66 -22.173 1.695 18.059 437 1HA GLY 66 2HA GLY 66 -22.200 -0.645 16.228 438 2HA GLY 66 1HA GLY 66 -23.138 -0.498 17.715 439 H ALA 67 H ALA 67 -19.965 -1.227 16.387 440 HA ALA 67 HA ALA 67 -19.229 -2.436 19.031 441 1HB ALA 67 1HB ALA 67 -19.635 -3.728 16.757 442 2HB ALA 67 3HB ALA 67 -17.995 -3.183 16.398 443 3HB ALA 67 2HB ALA 67 -18.300 -4.194 17.811 444 H CYS 68 H CYS 68 -18.627 0.303 17.395 445 HA CYS 68 HA CYS 68 -15.676 0.262 17.938 446 1HB CYS 68 1HB CYS 68 -17.165 0.899 15.659 447 2HB CYS 68 2HB CYS 68 -16.722 2.467 16.333 448 H ALA 69 H ALA 69 -14.804 2.013 19.148 449 HA ALA 69 HA ALA 69 -16.700 3.353 20.956 450 1HB ALA 69 1HB ALA 69 -14.261 4.289 21.628 451 2HB ALA 69 2HB ALA 69 -13.769 2.872 20.702 452 3HB ALA 69 3HB ALA 69 -14.817 2.686 22.107 453 H ASN 70 H ASN 70 -13.818 4.984 19.804 454 HA ASN 70 HA ASN 70 -15.012 6.724 17.867 455 1HB ASN 70 1HB ASN 70 -15.128 8.725 19.527 456 2HB ASN 70 2HB ASN 70 -16.437 7.544 19.568 457 2HD2 ASN 70 2HD2 ASN 70 -13.164 7.929 21.069 458 1HD2 ASN 70 1HD2 ASN 70 -13.655 7.411 22.610 459 H CYS 71 H CYS 71 -13.512 8.428 17.224 460 HA CYS 71 HA CYS 71 -11.008 8.842 18.660 461 1HB CYS 71 1HB CYS 71 -9.698 7.794 16.683 462 2HB CYS 71 2HB CYS 71 -10.428 6.692 17.849 463 H ALA 72 H ALA 72 -10.256 10.833 18.060 464 HA ALA 72 HA ALA 72 -10.117 11.849 15.398 465 1HB ALA 72 1HB ALA 72 -12.708 11.664 16.272 466 2HB ALA 72 3HB ALA 72 -12.306 13.314 16.747 467 3HB ALA 72 2HB ALA 72 -12.161 12.821 15.060 468 H SER 73 H SER 73 -8.083 12.528 16.425 469 HA SER 73 HA SER 73 -8.397 15.054 17.999 470 1HB SER 73 1HB SER 73 -6.193 13.951 19.124 471 2HB SER 73 2HB SER 73 -7.819 13.692 19.753 472 HG SER 73 HG SER 73 -6.807 12.048 17.715 473 H ILE 74 H ILE 74 -5.803 15.765 18.301 474 HA ILE 74 HA ILE 74 -4.479 15.533 15.636 475 HB ILE 74 HB ILE 74 -5.249 18.080 17.095 476 1HG1 ILE 74 1HG1 ILE 74 -7.087 16.937 15.860 477 2HG1 ILE 74 2HG1 ILE 74 -6.659 18.486 15.135 478 1HG2 ILE 74 1HG2 ILE 74 -2.987 18.036 15.883 479 2HG2 ILE 74 2HG2 ILE 74 -3.912 17.842 14.395 480 3HG2 ILE 74 3HG2 ILE 74 -4.121 19.289 15.380 481 1HD1 ILE 74 1HD1 ILE 74 -5.236 17.317 13.485 482 2HD1 ILE 74 2HD1 ILE 74 -5.679 15.769 14.204 483 3HD1 ILE 74 3HD1 ILE 74 -6.904 16.751 13.400 484 H VAL 75 H VAL 75 -2.985 14.200 17.034 485 HA VAL 75 HA VAL 75 -1.607 14.937 19.321 486 HB VAL 75 HB VAL 75 -1.271 12.838 18.131 487 1HG1 VAL 75 1HG1 VAL 75 -0.837 14.647 15.911 488 2HG1 VAL 75 2HG1 VAL 75 0.505 13.512 16.050 489 3HG1 VAL 75 3HG1 VAL 75 -1.144 12.911 15.883 490 1HG2 VAL 75 1HG2 VAL 75 1.178 14.585 18.418 491 2HG2 VAL 75 2HG2 VAL 75 0.589 13.341 19.522 492 3HG2 VAL 75 3HG2 VAL 75 1.299 12.882 17.975 493 H LYS 76 H LYS 76 -0.567 16.829 19.829 494 HA LYS 76 HA LYS 76 0.446 18.565 17.647 495 1HB LYS 76 1HB LYS 76 -0.642 18.827 20.308 496 2HB LYS 76 2HB LYS 76 0.910 19.660 20.220 497 1HG LYS 76 2HG LYS 76 -1.420 20.037 18.311 498 2HG LYS 76 1HG LYS 76 -0.915 21.175 19.561 499 1HD LYS 76 1HD LYS 76 1.169 20.286 17.623 500 2HD LYS 76 2HD LYS 76 -0.075 21.379 17.014 501 1HE LYS 76 1HE LYS 76 0.438 23.005 18.776 502 2HE LYS 76 2HE LYS 76 1.622 21.891 19.488 503 1HZ LYS 76 1HZ LYS 76 2.410 21.874 16.955 504 2HZ LYS 76 2HZ LYS 76 1.778 23.449 17.023 505 3HZ LYS 76 3HZ LYS 76 3.015 22.984 18.088 506 H GLU 77 H GLU 77 1.650 16.201 19.820 507 HA GLU 77 HA GLU 77 4.356 16.442 18.889 508 1HB GLU 77 1HB GLU 77 3.677 18.467 20.583 509 2HB GLU 77 2HB GLU 77 4.283 17.276 21.734 510 1HG GLU 77 1HG GLU 77 6.161 17.144 19.722 511 2HG GLU 77 2HG GLU 77 5.746 18.857 19.731 512 H GLY 78 H GLY 78 4.913 14.303 19.045 513 1HA GLY 78 2HA GLY 78 3.900 12.737 21.365 514 2HA GLY 78 1HA GLY 78 5.632 12.738 21.034 515 H GLU 79 H GLU 79 4.450 10.310 20.953 516 HA GLU 79 HA GLU 79 3.759 9.734 18.109 517 1HB GLU 79 1HB GLU 79 5.558 8.125 17.952 518 2HB GLU 79 2HB GLU 79 6.258 9.632 18.544 519 1HG GLU 79 1HG GLU 79 5.813 8.666 20.909 520 2HG GLU 79 2HG GLU 79 5.630 7.116 20.087 521 H ILE 80 H ILE 80 2.051 8.327 18.099 522 HA ILE 80 HA ILE 80 1.560 6.689 20.560 523 HB ILE 80 HB ILE 80 -0.292 7.673 18.366 524 1HG1 ILE 80 1HG1 ILE 80 -0.132 8.571 21.252 525 2HG1 ILE 80 2HG1 ILE 80 0.716 9.401 19.947 526 1HG2 ILE 80 1HG2 ILE 80 -0.646 5.917 20.762 527 2HG2 ILE 80 2HG2 ILE 80 -1.946 7.037 20.354 528 3HG2 ILE 80 3HG2 ILE 80 -1.425 5.827 19.182 529 1HD1 ILE 80 1HD1 ILE 80 -2.274 8.893 20.005 530 2HD1 ILE 80 2HD1 ILE 80 -1.511 10.417 20.456 531 3HD1 ILE 80 3HD1 ILE 80 -1.393 9.829 18.797 532 H ASP 81 H ASP 81 0.797 4.485 20.221 533 HA ASP 81 HA ASP 81 1.916 3.261 17.751 534 1HB ASP 81 1HB ASP 81 1.483 2.556 20.575 535 2HB ASP 81 2HB ASP 81 1.086 1.249 19.458 536 H MET 82 H MET 82 0.512 2.741 16.125 537 HA MET 82 HA MET 82 -2.327 2.096 16.856 538 1HB MET 82 1HB MET 82 -2.224 4.301 15.880 539 2HB MET 82 2HB MET 82 -1.159 3.739 14.593 540 1HG MET 82 1HG MET 82 -3.131 2.094 14.048 541 2HG MET 82 2HG MET 82 -4.101 3.243 14.966 542 1HE MET 82 1HE MET 82 -3.736 2.093 11.935 543 2HE MET 82 2HE MET 82 -3.419 3.337 10.717 544 3HE MET 82 3HE MET 82 -2.085 2.610 11.609 545 H ASP 83 H ASP 83 -1.998 -0.189 16.692 546 HA ASP 83 HA ASP 83 -0.542 -1.663 14.840 547 1HB ASP 83 1HB ASP 83 -2.307 -3.390 15.209 548 2HB ASP 83 2HB ASP 83 -1.839 -2.590 16.709 549 H MET 84 H MET 84 -1.293 -2.771 12.821 550 HA MET 84 HA MET 84 -2.297 -0.934 10.866 551 1HB MET 84 1HB MET 84 -1.553 -3.803 11.086 552 2HB MET 84 2HB MET 84 -2.592 -3.377 9.725 553 1HG MET 84 1HG MET 84 -0.037 -1.894 10.398 554 2HG MET 84 2HG MET 84 -0.110 -3.225 9.243 555 1HE MET 84 1HE MET 84 0.877 -2.136 7.693 556 2HE MET 84 2HE MET 84 -0.345 -2.272 6.430 557 3HE MET 84 3HE MET 84 0.408 -0.708 6.775 558 H GLN 85 H GLN 85 -4.365 -0.762 9.926 559 HA GLN 85 HA GLN 85 -6.545 -2.576 10.398 560 1HB GLN 85 1HB GLN 85 -5.834 -0.740 12.503 561 2HB GLN 85 2HB GLN 85 -7.433 -0.325 11.887 562 1HG GLN 85 1HG GLN 85 -8.002 -2.808 12.073 563 2HG GLN 85 2HG GLN 85 -6.505 -2.987 12.987 564 2HE2 GLN 85 2HE2 GLN 85 -9.800 -1.789 13.126 565 1HE2 GLN 85 1HE2 GLN 85 -9.758 -1.301 14.751 566 H GLN 86 H GLN 86 -5.569 0.791 9.811 567 HA GLN 86 HA GLN 86 -7.639 0.926 7.650 568 1HB GLN 86 1HB GLN 86 -7.353 2.459 10.118 569 2HB GLN 86 2HB GLN 86 -7.365 3.505 8.698 570 1HG GLN 86 1HG GLN 86 -9.378 1.314 8.753 571 2HG GLN 86 2HG GLN 86 -9.630 2.643 9.885 572 2HE2 GLN 86 2HE2 GLN 86 -10.419 1.685 6.798 573 1HE2 GLN 86 1HE2 GLN 86 -10.642 3.205 6.079 574 H ILE 87 H ILE 87 -6.733 1.573 5.733 575 HA ILE 87 HA ILE 87 -4.025 1.911 5.215 576 HB ILE 87 HB ILE 87 -5.767 1.652 3.517 577 1HG1 ILE 87 1HG1 ILE 87 -4.980 4.207 2.492 578 2HG1 ILE 87 2HG1 ILE 87 -3.624 3.530 3.393 579 1HG2 ILE 87 1HG2 ILE 87 -7.249 3.367 4.917 580 2HG2 ILE 87 2HG2 ILE 87 -6.562 4.524 3.777 581 3HG2 ILE 87 3HG2 ILE 87 -7.498 3.152 3.184 582 1HD1 ILE 87 1HD1 ILE 87 -4.380 1.317 2.073 583 2HD1 ILE 87 2HD1 ILE 87 -4.952 2.524 0.921 584 3HD1 ILE 87 3HD1 ILE 87 -3.250 2.481 1.379 585 H LEU 88 H LEU 88 -2.867 3.251 6.650 586 HA LEU 88 HA LEU 88 -3.582 6.165 6.571 587 1HB LEU 88 1HB LEU 88 -3.739 4.496 8.731 588 2HB LEU 88 2HB LEU 88 -2.090 5.098 8.896 589 HG LEU 88 HG LEU 88 -3.283 7.429 8.373 590 1HD1 LEU 88 1HD1 LEU 88 -5.504 6.165 8.135 591 2HD1 LEU 88 2HD1 LEU 88 -5.443 5.947 9.885 592 3HD1 LEU 88 3HD1 LEU 88 -5.514 7.571 9.201 593 1HD2 LEU 88 1HD2 LEU 88 -1.981 6.716 10.423 594 2HD2 LEU 88 2HD2 LEU 88 -3.292 7.851 10.748 595 3HD2 LEU 88 3HD2 LEU 88 -3.501 6.136 11.104 596 H SER 89 H SER 89 -1.475 7.432 7.385 597 HA SER 89 HA SER 89 1.050 6.169 6.504 598 1HB SER 89 1HB SER 89 -0.218 6.999 4.473 599 2HB SER 89 2HB SER 89 -0.065 8.629 5.128 600 HG SER 89 HG SER 89 1.684 8.429 3.876 601 H ASP 90 H ASP 90 2.913 7.658 6.909 602 HA ASP 90 HA ASP 90 2.699 9.016 9.431 603 1HB ASP 90 1HB ASP 90 5.050 9.739 8.766 604 2HB ASP 90 2HB ASP 90 4.760 8.000 8.710 605 H GLU 91 H GLU 91 2.560 10.124 6.082 606 HA GLU 91 HA GLU 91 2.925 12.913 6.471 607 1HB GLU 91 1HB GLU 91 1.799 13.075 4.317 608 2HB GLU 91 2HB GLU 91 2.796 11.619 4.315 609 1HG GLU 91 1HG GLU 91 0.588 10.488 5.232 610 2HG GLU 91 2HG GLU 91 -0.190 11.877 4.471 611 H GLU 92 H GLU 92 0.214 10.831 7.221 612 HA GLU 92 HA GLU 92 -1.750 12.981 7.461 613 1HB GLU 92 1HB GLU 92 -1.569 10.054 8.179 614 2HB GLU 92 2HB GLU 92 -2.975 11.017 8.636 615 1HG GLU 92 1HG GLU 92 -2.735 11.737 6.032 616 2HG GLU 92 2HG GLU 92 -2.102 10.093 5.954 617 H VAL 93 H VAL 93 0.418 11.231 9.666 618 HA VAL 93 HA VAL 93 -0.721 12.443 12.074 619 HB VAL 93 HB VAL 93 0.499 10.180 11.743 620 1HG1 VAL 93 1HG1 VAL 93 2.536 11.890 10.875 621 2HG1 VAL 93 2HG1 VAL 93 3.053 11.374 12.479 622 3HG1 VAL 93 3HG1 VAL 93 2.700 10.173 11.238 623 1HG2 VAL 93 1HG2 VAL 93 0.011 11.650 13.940 624 2HG2 VAL 93 2HG2 VAL 93 0.892 10.123 14.010 625 3HG2 VAL 93 3HG2 VAL 93 1.774 11.650 14.002 626 H GLU 94 H GLU 94 1.638 13.338 9.699 627 HA GLU 94 HA GLU 94 2.860 15.384 11.489 628 1HB GLU 94 1HB GLU 94 4.230 13.843 10.052 629 2HB GLU 94 2HB GLU 94 3.485 14.571 8.630 630 1HG GLU 94 1HG GLU 94 4.309 16.800 9.974 631 2HG GLU 94 2HG GLU 94 5.567 15.652 10.435 632 H GLU 95 H GLU 95 0.994 15.054 8.479 633 HA GLU 95 HA GLU 95 0.764 17.997 8.203 634 1HB GLU 95 1HB GLU 95 1.057 16.045 6.405 635 2HB GLU 95 2HB GLU 95 -0.701 16.002 6.515 636 1HG GLU 95 1HG GLU 95 0.514 18.700 6.281 637 2HG GLU 95 2HG GLU 95 0.636 17.674 4.851 638 H LYS 96 H LYS 96 -1.123 15.213 9.236 639 HA LYS 96 HA LYS 96 -3.519 16.972 9.620 640 1HB LYS 96 1HB LYS 96 -3.047 14.317 8.609 641 2HB LYS 96 2HB LYS 96 -4.093 14.215 10.026 642 1HG LYS 96 1HG LYS 96 -5.570 14.538 8.186 643 2HG LYS 96 2HG LYS 96 -5.451 16.117 8.962 644 1HD LYS 96 2HD LYS 96 -5.162 16.582 6.658 645 2HD LYS 96 1HD LYS 96 -3.522 16.571 7.303 646 1HE LYS 96 2HE LYS 96 -3.024 14.998 5.740 647 2HE LYS 96 1HE LYS 96 -4.084 13.884 6.624 648 1HZ LYS 96 1HZ LYS 96 -5.891 15.381 5.395 649 2HZ LYS 96 2HZ LYS 96 -4.639 15.497 4.254 650 3HZ LYS 96 3HZ LYS 96 -5.250 13.974 4.693 651 H ASP 97 H ASP 97 -1.064 15.139 11.248 652 HA ASP 97 HA ASP 97 -0.645 14.796 13.548 653 1HB ASP 97 1HB ASP 97 -2.368 17.211 13.285 654 2HB ASP 97 2HB ASP 97 -2.193 16.539 14.907 655 H VAL 98 H VAL 98 -3.176 13.610 12.070 656 HA VAL 98 HA VAL 98 -4.977 13.092 14.349 657 HB VAL 98 HB VAL 98 -5.795 13.481 12.047 658 1HG1 VAL 98 1HG1 VAL 98 -3.617 11.860 11.357 659 2HG1 VAL 98 2HG1 VAL 98 -5.036 10.883 10.976 660 3HG1 VAL 98 3HG1 VAL 98 -4.848 12.483 10.257 661 1HG2 VAL 98 1HG2 VAL 98 -6.984 11.920 13.676 662 2HG2 VAL 98 2HG2 VAL 98 -7.365 11.671 11.972 663 3HG2 VAL 98 3HG2 VAL 98 -6.247 10.582 12.793 664 H ARG 99 H ARG 99 -5.450 10.855 15.032 665 HA ARG 99 HA ARG 99 -3.556 8.724 14.299 666 1HB ARG 99 1HB ARG 99 -2.601 10.437 16.074 667 2HB ARG 99 2HB ARG 99 -3.628 9.536 17.189 668 1HG ARG 99 1HG ARG 99 -1.988 7.994 17.327 669 2HG ARG 99 2HG ARG 99 -2.322 7.582 15.644 670 1HD ARG 99 1HD ARG 99 -0.754 9.458 14.967 671 2HD ARG 99 2HD ARG 99 -0.301 9.600 16.677 672 HE ARG 99 HE ARG 99 0.197 7.054 16.475 673 1HH1 ARG 99 1HH1 ARG 99 -0.450 8.132 13.425 674 2HH1 ARG 99 2HH1 ARG 99 1.096 7.751 12.742 675 1HH2 ARG 99 1HH2 ARG 99 2.573 7.060 15.802 676 2HH2 ARG 99 2HH2 ARG 99 2.808 7.143 14.089 677 H LEU 100 H LEU 100 -4.501 6.725 14.680 678 HA LEU 100 HA LEU 100 -7.261 6.480 15.289 679 1HB LEU 100 1HB LEU 100 -5.353 4.911 14.245 680 2HB LEU 100 2HB LEU 100 -5.369 4.247 15.879 681 HG LEU 100 HG LEU 100 -7.855 3.978 15.681 682 1HD1 LEU 100 1HD1 LEU 100 -7.348 5.508 13.283 683 2HD1 LEU 100 2HD1 LEU 100 -8.126 3.982 12.868 684 3HD1 LEU 100 3HD1 LEU 100 -8.895 5.080 14.015 685 1HD2 LEU 100 1HD2 LEU 100 -5.812 2.550 14.092 686 2HD2 LEU 100 2HD2 LEU 100 -6.987 1.916 15.244 687 3HD2 LEU 100 3HD2 LEU 100 -7.477 2.264 13.585 688 H THR 101 H THR 101 -8.044 7.197 17.261 689 HA THR 101 HA THR 101 -6.534 6.912 19.746 690 HB THR 101 HB THR 101 -9.467 7.565 19.379 691 HG1 THR 101 HG1 THR 101 -8.896 9.299 18.373 692 1HG2 THR 101 1HG2 THR 101 -8.403 7.290 21.681 693 2HG2 THR 101 2HG2 THR 101 -7.443 8.721 21.303 694 3HG2 THR 101 3HG2 THR 101 -9.202 8.833 21.382 695 H CYS 102 H CYS 102 -8.529 4.838 17.916 696 HA CYS 102 HA CYS 102 -9.510 3.306 20.261 697 1HB CYS 102 1HB CYS 102 -9.830 3.005 17.256 698 2HB CYS 102 2HB CYS 102 -10.655 2.007 18.453 699 H ILE 103 H ILE 103 -8.510 1.426 20.942 700 HA ILE 103 HA ILE 103 -6.906 -0.308 21.039 701 HB ILE 103 HB ILE 103 -7.324 -0.025 18.045 702 1HG1 ILE 103 2HG1 ILE 103 -8.599 -2.307 19.169 703 2HG1 ILE 103 1HG1 ILE 103 -9.018 -0.923 20.180 704 1HG2 ILE 103 1HG2 ILE 103 -5.722 -1.880 19.700 705 2HG2 ILE 103 2HG2 ILE 103 -6.767 -2.658 18.511 706 3HG2 ILE 103 3HG2 ILE 103 -5.567 -1.475 17.990 707 1HD1 ILE 103 1HD1 ILE 103 -9.105 -0.486 17.238 708 2HD1 ILE 103 2HD1 ILE 103 -10.356 -1.530 17.913 709 3HD1 ILE 103 3HD1 ILE 103 -10.178 0.123 18.498 710 H GLY 104 H GLY 104 -6.115 2.684 20.403 711 1HA GLY 104 2HA GLY 104 -4.149 3.716 19.369 712 2HA GLY 104 1HA GLY 104 -3.391 2.125 19.324 713 H SER 105 H SER 105 -1.686 2.161 20.717 714 HA SER 105 HA SER 105 -2.181 3.182 23.489 715 1HB SER 105 2HB SER 105 -0.740 1.470 24.197 716 2HB SER 105 1HB SER 105 -1.527 0.725 22.805 717 HG SER 105 HG SER 105 0.922 0.762 23.024 718 HA PRO 106 HA PRO 106 0.756 6.370 22.730 719 1HB PRO 106 1HB PRO 106 1.522 6.873 25.310 720 2HB PRO 106 2HB PRO 106 -0.043 7.381 24.649 721 1HG PRO 106 2HG PRO 106 0.624 5.041 26.373 722 2HG PRO 106 1HG PRO 106 -0.783 6.113 26.425 723 1HD PRO 106 1HD PRO 106 -0.823 3.620 25.313 724 2HD PRO 106 2HD PRO 106 -1.889 4.941 24.793 725 H ALA 107 H ALA 107 2.954 6.404 22.273 726 HA ALA 107 HA ALA 107 4.616 4.185 23.421 727 1HB ALA 107 1HB ALA 107 4.662 5.663 20.772 728 2HB ALA 107 3HB ALA 107 4.227 3.975 21.037 729 3HB ALA 107 2HB ALA 107 5.895 4.501 21.260 730 H ALA 108 H ALA 108 4.150 7.525 23.487 731 HA ALA 108 HA ALA 108 7.027 8.009 24.200 732 1HB ALA 108 1HB ALA 108 6.723 9.449 22.444 733 2HB ALA 108 3HB ALA 108 4.970 9.455 22.627 734 3HB ALA 108 2HB ALA 108 5.968 10.465 23.672 735 H ASP 109 H ASP 109 7.428 9.095 26.159 736 HA ASP 109 HA ASP 109 5.680 8.802 28.345 737 1HB ASP 109 1HB ASP 109 8.220 9.956 27.713 738 2HB ASP 109 2HB ASP 109 7.330 11.114 28.702 739 H GLU 110 H GLU 110 6.555 12.078 27.277 740 HA GLU 110 HA GLU 110 3.785 12.968 27.897 741 1HB GLU 110 1HB GLU 110 5.714 14.108 28.915 742 2HB GLU 110 2HB GLU 110 6.377 14.441 27.315 743 1HG GLU 110 1HG GLU 110 5.020 16.225 27.025 744 2HG GLU 110 2HG GLU 110 3.603 15.321 27.559 745 H VAL 111 H VAL 111 2.389 13.033 26.181 746 HA VAL 111 HA VAL 111 3.485 13.828 23.501 747 HB VAL 111 HB VAL 111 1.362 11.806 24.282 748 1HG1 VAL 111 1HG1 VAL 111 1.415 13.391 21.982 749 2HG1 VAL 111 2HG1 VAL 111 2.154 11.870 21.477 750 3HG1 VAL 111 3HG1 VAL 111 0.537 11.874 22.181 751 1HG2 VAL 111 1HG2 VAL 111 4.131 11.576 24.051 752 2HG2 VAL 111 2HG2 VAL 111 2.974 10.246 24.014 753 3HG2 VAL 111 3HG2 VAL 111 3.526 10.977 22.507 754 H LYS 112 H LYS 112 2.536 15.667 22.722 755 HA LYS 112 HA LYS 112 0.197 16.813 24.106 756 1HB LYS 112 1HB LYS 112 1.932 17.744 21.793 757 2HB LYS 112 2HB LYS 112 0.730 18.736 22.616 758 1HG LYS 112 1HG LYS 112 2.627 17.422 24.440 759 2HG LYS 112 2HG LYS 112 3.385 18.565 23.333 760 1HD LYS 112 1HD LYS 112 1.284 20.060 24.046 761 2HD LYS 112 2HD LYS 112 1.380 19.056 25.492 762 1HE LYS 112 1HE LYS 112 2.949 20.577 26.177 763 2HE LYS 112 2HE LYS 112 4.032 19.715 25.068 764 1HZ LYS 112 1HZ LYS 112 2.203 21.655 23.880 765 2HZ LYS 112 2HZ LYS 112 3.471 22.299 24.808 766 3HZ LYS 112 3HZ LYS 112 3.815 21.299 23.479 767 H ILE 113 H ILE 113 -1.849 17.064 23.144 768 HA ILE 113 HA ILE 113 -2.293 16.362 20.322 769 HB ILE 113 HB ILE 113 -2.141 14.166 21.325 770 1HG1 ILE 113 1HG1 ILE 113 -5.108 14.563 21.325 771 2HG1 ILE 113 2HG1 ILE 113 -4.220 14.921 19.843 772 1HG2 ILE 113 1HG2 ILE 113 -3.444 15.556 23.543 773 2HG2 ILE 113 2HG2 ILE 113 -4.198 14.001 23.191 774 3HG2 ILE 113 3HG2 ILE 113 -2.476 14.083 23.560 775 1HD1 ILE 113 1HD1 ILE 113 -3.087 12.569 20.386 776 2HD1 ILE 113 2HD1 ILE 113 -4.605 12.306 21.243 777 3HD1 ILE 113 3HD1 ILE 113 -4.618 12.666 19.517 778 H VAL 114 H VAL 114 -4.242 17.240 19.590 779 HA VAL 114 HA VAL 114 -5.888 18.699 21.629 780 HB VAL 114 HB VAL 114 -5.733 19.201 18.648 781 1HG1 VAL 114 1HG1 VAL 114 -7.548 20.251 20.042 782 2HG1 VAL 114 2HG1 VAL 114 -6.290 21.058 20.979 783 3HG1 VAL 114 3HG1 VAL 114 -6.483 21.422 19.264 784 1HG2 VAL 114 1HG2 VAL 114 -3.684 19.624 20.697 785 2HG2 VAL 114 2HG2 VAL 114 -3.555 19.743 18.941 786 3HG2 VAL 114 3HG2 VAL 114 -4.142 21.118 19.877 787 H TYR 115 H TYR 115 -7.878 17.759 21.971 788 HA TYR 115 HA TYR 115 -8.887 15.759 20.063 789 1HB TYR 115 2HB TYR 115 -9.973 14.962 21.906 790 2HB TYR 115 1HB TYR 115 -8.862 16.013 22.775 791 HD1 TYR 115 HD1 TYR 115 -9.685 18.550 23.004 792 HD2 TYR 115 HD2 TYR 115 -12.243 15.164 22.328 793 HE1 TYR 115 HE1 TYR 115 -11.608 19.822 23.902 794 HE2 TYR 115 HE2 TYR 115 -14.168 16.442 23.229 795 HH TYR 115 HH TYR 115 -13.940 19.854 23.929 796 H ASN 116 H ASN 116 -11.603 16.035 20.153 797 HA ASN 116 HA ASN 116 -13.452 17.289 19.346 798 1HB ASN 116 1HB ASN 116 -11.703 19.173 20.551 799 2HB ASN 116 2HB ASN 116 -12.167 19.851 18.994 800 2HD2 ASN 116 2HD2 ASN 116 -14.098 17.719 21.153 801 1HD2 ASN 116 1HD2 ASN 116 -15.360 18.832 21.375 802 H ALA 117 H ALA 117 -11.044 16.187 17.748 803 HA ALA 117 HA ALA 117 -10.258 17.499 15.497 804 1HB ALA 117 1HB ALA 117 -9.743 15.193 15.841 805 2HB ALA 117 3HB ALA 117 -11.448 14.742 15.824 806 3HB ALA 117 2HB ALA 117 -10.658 15.256 14.334 807 H LYS 118 H LYS 118 -13.596 16.621 16.205 808 HA LYS 118 HA LYS 118 -14.911 16.668 13.792 809 1HB LYS 118 1HB LYS 118 -16.759 17.753 15.046 810 2HB LYS 118 2HB LYS 118 -15.964 16.510 16.012 811 1HG LYS 118 1HG LYS 118 -15.124 18.022 17.498 812 2HG LYS 118 2HG LYS 118 -14.797 19.219 16.247 813 1HD LYS 118 1HD LYS 118 -17.587 18.556 17.222 814 2HD LYS 118 2HD LYS 118 -16.618 19.872 17.885 815 1HE LYS 118 1HE LYS 118 -16.442 20.858 15.596 816 2HE LYS 118 2HE LYS 118 -17.504 19.573 14.991 817 H HIS 119 H HIS 119 -13.192 19.371 15.237 818 HA HIS 119 HA HIS 119 -14.372 21.498 13.718 819 1HB HIS 119 1HB HIS 119 -12.218 22.630 14.381 820 2HB HIS 119 2HB HIS 119 -13.050 21.849 15.726 821 HD1 HIS 119 HD1 HIS 119 -10.419 20.846 13.135 822 HD2 HIS 119 HD2 HIS 119 -11.330 20.232 17.162 823 HE1 HIS 119 HE1 HIS 119 -8.556 19.417 14.082 824 H LEU 120 H LEU 120 -12.025 19.037 12.904 825 HA LEU 120 HA LEU 120 -10.497 20.141 10.864 826 1HB LEU 120 1HB LEU 120 -11.159 17.625 11.834 827 2HB LEU 120 2HB LEU 120 -11.683 17.557 10.152 828 HG LEU 120 HG LEU 120 -9.090 18.866 10.438 829 1HD1 LEU 120 1HD1 LEU 120 -9.565 16.523 12.049 830 2HD1 LEU 120 2HD1 LEU 120 -8.418 16.135 10.767 831 3HD1 LEU 120 3HD1 LEU 120 -8.082 17.461 11.879 832 1HD2 LEU 120 1HD2 LEU 120 -10.487 16.891 8.747 833 2HD2 LEU 120 2HD2 LEU 120 -9.362 18.169 8.288 834 3HD2 LEU 120 3HD2 LEU 120 -8.749 16.630 8.893 835 H ASP 121 H ASP 121 -10.848 20.701 8.696 836 HA ASP 121 HA ASP 121 -13.506 21.487 7.896 837 1HB ASP 121 1HB ASP 121 -10.766 21.740 7.054 838 2HB ASP 121 2HB ASP 121 -11.754 21.293 5.663 839 H TYR 122 H TYR 122 -11.361 18.815 6.849 840 HA TYR 122 HA TYR 122 -12.982 17.688 4.838 841 1HB TYR 122 1HB TYR 122 -10.709 16.962 5.320 842 2HB TYR 122 2HB TYR 122 -11.180 16.428 6.933 843 HD1 TYR 122 HD1 TYR 122 -13.282 15.989 3.919 844 HD2 TYR 122 HD2 TYR 122 -10.569 14.100 6.663 845 HE1 TYR 122 HE1 TYR 122 -13.899 13.770 3.002 846 HE2 TYR 122 HE2 TYR 122 -11.186 11.880 5.745 847 HH TYR 122 HH TYR 122 -12.824 11.482 2.849 848 H LEU 123 H LEU 123 -13.362 17.672 8.312 849 HA LEU 123 HA LEU 123 -15.472 15.588 8.228 850 1HB LEU 123 1HB LEU 123 -13.582 16.660 10.097 851 2HB LEU 123 2HB LEU 123 -15.200 16.882 10.764 852 HG LEU 123 HG LEU 123 -13.923 14.297 9.839 853 1HD1 LEU 123 1HD1 LEU 123 -13.885 15.535 12.285 854 2HD1 LEU 123 2HD1 LEU 123 -15.315 14.513 12.433 855 3HD1 LEU 123 3HD1 LEU 123 -13.751 13.792 12.052 856 1HD2 LEU 123 1HD2 LEU 123 -16.763 15.098 10.044 857 2HD2 LEU 123 2HD2 LEU 123 -16.029 13.781 9.131 858 3HD2 LEU 123 3HD2 LEU 123 -16.356 13.586 10.853 859 H GLN 124 H GLN 124 -15.095 19.080 8.751 860 HA GLN 124 HA GLN 124 -17.739 19.682 9.620 861 1HB GLN 124 1HB GLN 124 -15.483 21.052 9.364 862 2HB GLN 124 2HB GLN 124 -16.186 21.498 7.810 863 1HG GLN 124 1HG GLN 124 -17.429 23.046 8.873 864 2HG GLN 124 2HG GLN 124 -18.264 21.739 9.713 865 2HE2 GLN 124 2HE2 GLN 124 -18.380 23.044 11.704 866 1HE2 GLN 124 1HE2 GLN 124 -17.000 23.295 12.659 867 H ASN 125 H ASN 125 -16.350 19.532 6.347 868 HA ASN 125 HA ASN 125 -18.744 20.310 4.952 869 1HB ASN 125 1HB ASN 125 -16.289 18.704 4.180 870 2HB ASN 125 2HB ASN 125 -17.484 19.283 3.020 871 2HD2 ASN 125 2HD2 ASN 125 -18.034 21.857 4.015 872 1HD2 ASN 125 1HD2 ASN 125 -16.625 22.801 3.958 873 H ARG 126 H ARG 126 -17.969 17.474 6.662 874 HA ARG 126 HA ARG 126 -19.812 15.783 5.030 875 1HB ARG 126 1HB ARG 126 -17.644 15.334 7.071 876 2HB ARG 126 2HB ARG 126 -18.811 14.056 6.733 877 1HG ARG 126 1HG ARG 126 -17.566 15.394 4.381 878 2HG ARG 126 2HG ARG 126 -16.530 14.327 5.329 879 1HD ARG 126 1HD ARG 126 -17.546 12.491 4.465 880 2HD ARG 126 2HD ARG 126 -19.149 13.121 4.889 881 HE ARG 126 HE ARG 126 -17.894 14.469 2.601 882 1HH1 ARG 126 1HH1 ARG 126 -18.870 11.313 2.987 883 2HH1 ARG 126 2HH1 ARG 126 -20.141 11.361 1.813 884 1HH2 ARG 126 1HH2 ARG 126 -19.985 14.799 1.391 885 2HH2 ARG 126 2HH2 ARG 126 -20.771 13.334 0.908 886 H VAL 127 H VAL 127 -20.172 17.958 7.417 887 HA VAL 127 HA VAL 127 -21.442 16.716 9.602 888 HB VAL 127 HB VAL 127 -20.880 19.107 9.417 889 1HG1 VAL 127 1HG1 VAL 127 -22.266 18.851 6.947 890 2HG1 VAL 127 2HG1 VAL 127 -23.162 20.015 7.923 891 3HG1 VAL 127 3HG1 VAL 127 -21.453 20.280 7.583 892 1HG2 VAL 127 1HG2 VAL 127 -23.231 18.025 10.503 893 2HG2 VAL 127 2HG2 VAL 127 -22.495 19.572 10.920 894 3HG2 VAL 127 3HG2 VAL 127 -23.748 19.495 9.680 895 H ILE 128 H ILE 128 -23.442 15.746 9.868 896 HA ILE 128 HA ILE 128 -25.602 16.162 7.903 897 HB ILE 128 HB ILE 128 -24.014 14.469 6.929 898 1HG1 ILE 128 1HG1 ILE 128 -26.304 12.744 7.473 899 2HG1 ILE 128 2HG1 ILE 128 -26.800 14.395 7.102 900 1HG2 ILE 128 1HG2 ILE 128 -23.371 13.543 9.196 901 2HG2 ILE 128 2HG2 ILE 128 -24.937 12.734 9.236 902 3HG2 ILE 128 3HG2 ILE 128 -23.762 12.317 7.989 903 1HD1 ILE 128 1HD1 ILE 128 -24.799 12.870 5.418 904 2HD1 ILE 128 2HD1 ILE 128 -26.532 12.852 5.090 905 3HD1 ILE 128 3HD1 ILE 128 -25.636 14.368 5.008 No H/Q in entry = 905 Start of MODEL 7 1 H2 PRO 1 H2 PRO 1 3.486 7.462 31.204 2 H3 PRO 1 H3 PRO 1 4.208 6.388 30.100 3 HA PRO 1 HA PRO 1 2.560 6.818 28.690 4 1HB PRO 1 1HB PRO 1 0.284 5.843 29.855 5 2HB PRO 1 2HB PRO 1 1.572 4.798 29.226 6 1HG PRO 1 2HG PRO 1 0.987 5.619 32.028 7 2HG PRO 1 1HG PRO 1 1.527 4.055 31.402 8 1HD PRO 1 1HD PRO 1 3.183 5.858 32.615 9 2HD PRO 1 2HD PRO 1 3.731 4.676 31.409 10 H THR 2 H THR 2 3.082 9.193 29.816 11 HA THR 2 HA THR 2 0.531 10.309 30.898 12 HB THR 2 HB THR 2 3.403 11.273 30.764 13 HG1 THR 2 HG1 THR 2 1.657 10.473 32.846 14 1HG2 THR 2 1HG2 THR 2 1.049 12.843 30.862 15 2HG2 THR 2 2HG2 THR 2 1.715 12.837 32.494 16 3HG2 THR 2 3HG2 THR 2 2.708 13.376 31.140 17 H VAL 3 H VAL 3 -0.797 11.190 29.361 18 HA VAL 3 HA VAL 3 0.457 12.380 26.912 19 HB VAL 3 HB VAL 3 -2.283 11.204 27.482 20 1HG1 VAL 3 1HG1 VAL 3 -1.131 12.402 24.944 21 2HG1 VAL 3 2HG1 VAL 3 -2.645 11.501 25.030 22 3HG1 VAL 3 3HG1 VAL 3 -2.485 13.039 25.879 23 1HG2 VAL 3 1HG2 VAL 3 0.162 9.992 26.844 24 2HG2 VAL 3 2HG2 VAL 3 -1.437 9.258 26.718 25 3HG2 VAL 3 3HG2 VAL 3 -0.719 10.054 25.318 26 H GLU 4 H GLU 4 -0.868 14.260 26.012 27 HA GLU 4 HA GLU 4 -2.091 15.898 28.207 28 1HB GLU 4 1HB GLU 4 0.381 16.322 27.365 29 2HB GLU 4 2HB GLU 4 -0.432 17.094 26.003 30 1HG GLU 4 1HG GLU 4 -1.442 18.724 27.375 31 2HG GLU 4 2HG GLU 4 -1.194 17.774 28.840 32 H TYR 5 H TYR 5 -4.244 15.922 27.532 33 HA TYR 5 HA TYR 5 -4.873 16.147 24.646 34 1HB TYR 5 1HB TYR 5 -7.144 15.679 25.423 35 2HB TYR 5 2HB TYR 5 -6.022 14.558 26.192 36 HD1 TYR 5 HD1 TYR 5 -7.972 17.683 26.696 37 HD2 TYR 5 HD2 TYR 5 -5.684 14.560 28.557 38 HE1 TYR 5 HE1 TYR 5 -8.719 18.466 28.927 39 HE2 TYR 5 HE2 TYR 5 -6.430 15.344 30.788 40 HH TYR 5 HH TYR 5 -8.481 18.235 31.129 41 H LEU 6 H LEU 6 -5.815 17.963 23.719 42 HA LEU 6 HA LEU 6 -6.319 20.333 25.487 43 1HB LEU 6 1HB LEU 6 -4.150 19.948 23.805 44 2HB LEU 6 2HB LEU 6 -5.261 20.871 22.793 45 HG LEU 6 HG LEU 6 -4.136 21.639 25.495 46 1HD1 LEU 6 1HD1 LEU 6 -3.362 22.168 22.851 47 2HD1 LEU 6 2HD1 LEU 6 -4.189 23.635 23.379 48 3HD1 LEU 6 3HD1 LEU 6 -2.812 23.019 24.294 49 1HD2 LEU 6 1HD2 LEU 6 -6.505 22.749 23.979 50 2HD2 LEU 6 2HD2 LEU 6 -6.436 22.238 25.666 51 3HD2 LEU 6 3HD2 LEU 6 -5.609 23.711 25.156 52 H ASN 7 H ASN 7 -8.354 21.165 25.095 53 HA ASN 7 HA ASN 7 -10.129 20.051 23.135 54 1HB ASN 7 1HB ASN 7 -10.636 21.237 25.334 55 2HB ASN 7 2HB ASN 7 -10.313 22.752 24.493 56 2HD2 ASN 7 2HD2 ASN 7 -12.470 23.569 24.389 57 1HD2 ASN 7 1HD2 ASN 7 -13.727 22.774 23.569 58 H TYR 8 H TYR 8 -9.949 20.394 20.945 59 HA TYR 8 HA TYR 8 -8.364 22.399 19.701 60 1HB TYR 8 1HB TYR 8 -9.109 20.381 18.567 61 2HB TYR 8 2HB TYR 8 -10.799 20.838 18.782 62 HD1 TYR 8 HD1 TYR 8 -11.711 22.848 17.590 63 HD2 TYR 8 HD2 TYR 8 -7.783 21.301 16.796 64 HE1 TYR 8 HE1 TYR 8 -11.635 24.129 15.468 65 HE2 TYR 8 HE2 TYR 8 -7.707 22.583 14.674 66 HH TYR 8 HH TYR 8 -9.499 25.078 13.970 67 H GLU 9 H GLU 9 -11.694 22.443 20.860 68 HA GLU 9 HA GLU 9 -12.575 24.819 19.509 69 1HB GLU 9 1HB GLU 9 -13.740 22.916 20.979 70 2HB GLU 9 2HB GLU 9 -13.506 24.102 22.263 71 1HG GLU 9 1HG GLU 9 -14.526 25.782 20.521 72 2HG GLU 9 2HG GLU 9 -15.158 24.322 19.760 73 H THR 10 H THR 10 -10.950 24.283 22.639 74 HA THR 10 HA THR 10 -11.071 26.918 23.676 75 HB THR 10 HB THR 10 -9.095 24.636 23.844 76 HG1 THR 10 HG1 THR 10 -11.229 25.664 25.311 77 1HG2 THR 10 1HG2 THR 10 -7.876 26.790 24.160 78 2HG2 THR 10 2HG2 THR 10 -9.010 27.209 25.445 79 3HG2 THR 10 3HG2 THR 10 -7.937 25.822 25.632 80 H LEU 11 H LEU 11 -8.964 25.479 21.233 81 HA LEU 11 HA LEU 11 -7.004 27.542 21.031 82 1HB LEU 11 1HB LEU 11 -7.493 25.116 19.898 83 2HB LEU 11 2HB LEU 11 -7.957 26.177 18.567 84 HG LEU 11 HG LEU 11 -5.318 26.331 20.056 85 1HD1 LEU 11 1HD1 LEU 11 -6.239 24.759 17.724 86 2HD1 LEU 11 2HD1 LEU 11 -4.726 25.633 17.484 87 3HD1 LEU 11 3HD1 LEU 11 -4.874 24.475 18.806 88 1HD2 LEU 11 1HD2 LEU 11 -6.699 28.168 18.372 89 2HD2 LEU 11 2HD2 LEU 11 -5.061 28.306 19.011 90 3HD2 LEU 11 3HD2 LEU 11 -5.336 27.531 17.451 91 H ASP 12 H ASP 12 -10.156 27.110 19.418 92 HA ASP 12 HA ASP 12 -9.945 29.623 17.930 93 1HB ASP 12 1HB ASP 12 -12.261 27.738 18.493 94 2HB ASP 12 2HB ASP 12 -12.242 28.993 17.254 95 H ASP 13 H ASP 13 -11.615 28.464 20.852 96 HA ASP 13 HA ASP 13 -13.255 30.711 21.383 97 1HB ASP 13 1HB ASP 13 -12.043 28.434 22.820 98 2HB ASP 13 2HB ASP 13 -12.455 29.803 23.852 99 H GLN 14 H GLN 14 -9.981 30.037 22.688 100 HA GLN 14 HA GLN 14 -9.663 32.661 23.855 101 1HB GLN 14 1HB GLN 14 -7.607 30.598 22.998 102 2HB GLN 14 2HB GLN 14 -7.366 31.873 24.192 103 1HG GLN 14 1HG GLN 14 -9.735 30.360 24.846 104 2HG GLN 14 2HG GLN 14 -8.366 29.266 24.646 105 2HE2 GLN 14 2HE2 GLN 14 -7.487 28.900 26.692 106 1HE2 GLN 14 1HE2 GLN 14 -7.203 30.101 27.859 107 H GLY 15 H GLY 15 -8.938 31.265 20.699 108 1HA GLY 15 2HA GLY 15 -8.417 33.968 19.644 109 2HA GLY 15 1HA GLY 15 -8.609 32.500 18.685 110 H TRP 16 H TRP 16 -6.720 30.821 19.796 111 HA TRP 16 HA TRP 16 -4.145 32.337 19.513 112 1HB TRP 16 1HB TRP 16 -4.943 29.806 20.976 113 2HB TRP 16 2HB TRP 16 -3.264 30.305 20.780 114 HD1 TRP 16 HD1 TRP 16 -4.390 33.506 21.019 115 HE1 TRP 16 HE1 TRP 16 -4.647 34.402 23.424 116 HE3 TRP 16 HE3 TRP 16 -4.494 29.098 23.597 117 HZ2 TRP 16 HZ2 TRP 16 -4.866 33.383 26.088 118 HZ3 TRP 16 HZ3 TRP 16 -4.727 29.090 26.064 119 HH2 TRP 16 HH2 TRP 16 -4.913 31.225 27.312 120 H ASP 17 H ASP 17 -2.349 30.725 18.670 121 HA ASP 17 HA ASP 17 -3.295 29.670 16.083 122 1HB ASP 17 1HB ASP 17 -0.850 30.643 17.330 123 2HB ASP 17 2HB ASP 17 -0.560 29.144 16.447 124 H MET 18 H MET 18 -1.490 27.549 15.722 125 HA MET 18 HA MET 18 -2.878 25.372 17.031 126 1HB MET 18 1HB MET 18 -0.899 25.849 14.948 127 2HB MET 18 2HB MET 18 -0.485 24.431 15.911 128 1HG MET 18 1HG MET 18 -2.774 23.544 15.567 129 2HG MET 18 2HG MET 18 -3.158 24.949 14.572 130 1HE MET 18 1HE MET 18 -3.652 22.150 13.624 131 2HE MET 18 2HE MET 18 -2.388 21.297 12.726 132 3HE MET 18 3HE MET 18 -2.309 21.398 14.483 133 H ASP 19 H ASP 19 0.405 26.753 17.385 134 HA ASP 19 HA ASP 19 0.485 25.856 20.192 135 1HB ASP 19 2HB ASP 19 2.289 24.318 19.892 136 2HB ASP 19 1HB ASP 19 1.133 23.929 18.617 137 H ASP 20 H ASP 20 0.738 28.376 18.501 138 HA ASP 20 HA ASP 20 3.473 29.279 18.561 139 1HB ASP 20 1HB ASP 20 0.730 30.481 18.324 140 2HB ASP 20 2HB ASP 20 2.117 31.551 18.533 141 H ASP 21 H ASP 21 0.772 30.485 20.584 142 HA ASP 21 HA ASP 21 2.626 31.441 22.631 143 1HB ASP 21 1HB ASP 21 0.422 32.468 21.869 144 2HB ASP 21 2HB ASP 21 -0.389 31.163 22.736 145 H ASP 22 H ASP 22 3.075 28.708 22.403 146 HA ASP 22 HA ASP 22 2.983 26.653 23.594 147 1HB ASP 22 1HB ASP 22 3.112 28.979 25.472 148 2HB ASP 22 2HB ASP 22 2.930 27.370 26.167 149 H LEU 23 H LEU 23 0.515 26.904 22.556 150 HA LEU 23 HA LEU 23 -1.778 27.342 24.025 151 1HB LEU 23 1HB LEU 23 -0.881 25.563 21.871 152 2HB LEU 23 2HB LEU 23 -2.279 24.937 22.744 153 HG LEU 23 HG LEU 23 -2.817 26.457 20.771 154 1HD1 LEU 23 1HD1 LEU 23 -3.737 27.313 23.534 155 2HD1 LEU 23 2HD1 LEU 23 -4.568 27.682 22.023 156 3HD1 LEU 23 3HD1 LEU 23 -4.438 26.011 22.571 157 1HD2 LEU 23 1HD2 LEU 23 -0.919 28.094 22.078 158 2HD2 LEU 23 2HD2 LEU 23 -1.881 28.502 20.658 159 3HD2 LEU 23 3HD2 LEU 23 -2.474 28.902 22.270 160 H PHE 24 H PHE 24 -0.241 24.103 23.922 161 HA PHE 24 HA PHE 24 -1.715 22.889 25.978 162 1HB PHE 24 1HB PHE 24 1.066 22.592 24.865 163 2HB PHE 24 2HB PHE 24 0.540 21.567 26.200 164 HD1 PHE 24 HD1 PHE 24 -0.073 22.493 22.674 165 HD2 PHE 24 HD2 PHE 24 -1.151 19.863 25.894 166 HE1 PHE 24 HE1 PHE 24 -1.290 21.038 21.078 167 HE2 PHE 24 HE2 PHE 24 -2.368 18.408 24.298 168 HZ PHE 24 HZ PHE 24 -2.437 18.995 21.890 169 H GLU 25 H GLU 25 1.018 25.094 26.193 170 HA GLU 25 HA GLU 25 1.326 24.668 29.102 171 1HB GLU 25 1HB GLU 25 2.849 25.649 26.890 172 2HB GLU 25 2HB GLU 25 2.753 26.935 28.094 173 1HG GLU 25 1HG GLU 25 4.156 25.840 29.482 174 2HG GLU 25 2HG GLU 25 3.220 24.351 29.346 175 H LYS 26 H LYS 26 0.632 27.511 27.020 176 HA LYS 26 HA LYS 26 -0.127 29.306 29.066 177 1HB LYS 26 1HB LYS 26 0.250 29.547 26.489 178 2HB LYS 26 2HB LYS 26 -1.470 29.181 26.370 179 1HG LYS 26 2HG LYS 26 -1.363 31.553 26.490 180 2HG LYS 26 1HG LYS 26 -1.811 31.042 28.117 181 1HD LYS 26 1HD LYS 26 0.694 31.064 28.654 182 2HD LYS 26 2HD LYS 26 0.909 31.918 27.126 183 1HE LYS 26 1HE LYS 26 -0.068 33.851 27.924 184 2HE LYS 26 2HE LYS 26 -1.196 32.968 28.970 185 1HZ LYS 26 1HZ LYS 26 0.726 32.316 30.346 186 2HZ LYS 26 2HZ LYS 26 1.735 33.288 29.387 187 3HZ LYS 26 3HZ LYS 26 0.505 33.999 30.318 188 H ALA 27 H ALA 27 -1.859 26.614 27.653 189 HA ALA 27 HA ALA 27 -4.538 27.323 28.353 190 1HB ALA 27 1HB ALA 27 -4.365 25.497 26.934 191 2HB ALA 27 3HB ALA 27 -4.575 24.651 28.467 192 3HB ALA 27 2HB ALA 27 -2.963 24.844 27.780 193 H ALA 28 H ALA 28 -1.948 25.732 30.204 194 HA ALA 28 HA ALA 28 -3.606 25.136 32.514 195 1HB ALA 28 1HB ALA 28 -1.040 24.556 31.524 196 2HB ALA 28 3HB ALA 28 -0.757 25.446 33.021 197 3HB ALA 28 2HB ALA 28 -1.732 23.977 33.040 198 H ASP 29 H ASP 29 -1.978 27.964 31.344 199 HA ASP 29 HA ASP 29 -1.770 29.280 33.961 200 1HB ASP 29 1HB ASP 29 -0.229 29.592 31.982 201 2HB ASP 29 2HB ASP 29 -1.556 30.403 31.151 202 H ALA 30 H ALA 30 -4.084 29.074 31.338 203 HA ALA 30 HA ALA 30 -5.624 31.417 32.253 204 1HB ALA 30 1HB ALA 30 -6.038 29.279 30.140 205 2HB ALA 30 3HB ALA 30 -7.104 30.667 30.360 206 3HB ALA 30 2HB ALA 30 -5.424 30.912 29.879 207 H GLY 31 H GLY 31 -5.629 27.937 32.661 208 1HA GLY 31 2HA GLY 31 -7.801 28.196 34.642 209 2HA GLY 31 1HA GLY 31 -6.798 26.768 34.388 210 H LEU 32 H LEU 32 -7.186 26.636 31.520 211 HA LEU 32 HA LEU 32 -9.859 26.676 30.629 212 1HB LEU 32 1HB LEU 32 -7.300 25.500 29.915 213 2HB LEU 32 2HB LEU 32 -8.625 24.408 29.514 214 HG LEU 32 HG LEU 32 -8.140 25.962 27.647 215 1HD1 LEU 32 1HD1 LEU 32 -10.571 25.241 28.576 216 2HD1 LEU 32 2HD1 LEU 32 -10.728 26.994 28.691 217 3HD1 LEU 32 3HD1 LEU 32 -10.361 26.240 27.139 218 1HD2 LEU 32 1HD2 LEU 32 -8.672 28.005 29.805 219 2HD2 LEU 32 2HD2 LEU 32 -7.288 27.898 28.718 220 3HD2 LEU 32 3HD2 LEU 32 -8.860 28.402 28.097 221 H ASP 33 H ASP 33 -11.546 25.128 30.700 222 HA ASP 33 HA ASP 33 -11.987 23.654 33.051 223 1HB ASP 33 1HB ASP 33 -13.451 24.367 30.953 224 2HB ASP 33 2HB ASP 33 -13.088 22.724 30.423 225 H GLY 34 H GLY 34 -11.442 21.580 33.714 226 1HA GLY 34 2HA GLY 34 -10.375 19.490 33.704 227 2HA GLY 34 1HA GLY 34 -9.247 20.206 32.554 228 H GLU 35 H GLU 35 -12.623 20.186 31.760 229 HA GLU 35 HA GLU 35 -12.656 17.641 30.354 230 1HB GLU 35 1HB GLU 35 -14.654 18.742 31.283 231 2HB GLU 35 2HB GLU 35 -14.408 20.119 30.208 232 1HG GLU 35 1HG GLU 35 -15.020 18.913 28.308 233 2HG GLU 35 2HG GLU 35 -14.615 17.360 29.041 234 H ASP 36 H ASP 36 -11.030 20.469 29.686 235 HA ASP 36 HA ASP 36 -11.215 20.025 26.722 236 1HB ASP 36 1HB ASP 36 -10.890 22.478 28.455 237 2HB ASP 36 2HB ASP 36 -10.440 22.503 26.751 238 H TYR 37 H TYR 37 -8.998 21.278 29.256 239 HA TYR 37 HA TYR 37 -6.734 20.058 27.704 240 1HB TYR 37 1HB TYR 37 -6.603 22.446 27.582 241 2HB TYR 37 2HB TYR 37 -6.995 22.622 29.293 242 HD1 TYR 37 HD1 TYR 37 -4.501 20.751 27.189 243 HD2 TYR 37 HD2 TYR 37 -5.212 23.125 30.697 244 HE1 TYR 37 HE1 TYR 37 -2.089 20.637 27.755 245 HE2 TYR 37 HE2 TYR 37 -2.800 23.012 31.263 246 HH TYR 37 HH TYR 37 -0.766 20.878 30.212 247 H GLY 38 H GLY 38 -5.114 19.006 28.951 248 1HA GLY 38 2HA GLY 38 -6.018 17.922 31.501 249 2HA GLY 38 1HA GLY 38 -4.655 19.030 31.675 250 H THR 39 H THR 39 -3.945 16.650 32.468 251 HA THR 39 HA THR 39 -2.295 15.571 30.234 252 HB THR 39 HB THR 39 -2.164 15.105 33.230 253 HG1 THR 39 HG1 THR 39 -0.338 16.639 32.895 254 1HG2 THR 39 1HG2 THR 39 -0.927 13.749 31.167 255 2HG2 THR 39 2HG2 THR 39 0.277 14.958 31.613 256 3HG2 THR 39 3HG2 THR 39 -0.337 13.834 32.828 257 H MET 40 H MET 40 -2.954 13.684 29.294 258 HA MET 40 HA MET 40 -5.040 12.044 30.607 259 1HB MET 40 1HB MET 40 -4.252 12.776 27.972 260 2HB MET 40 2HB MET 40 -4.091 11.025 28.095 261 1HG MET 40 1HG MET 40 -6.434 11.117 29.224 262 2HG MET 40 2HG MET 40 -6.544 12.724 28.507 263 1HE MET 40 1HE MET 40 -7.006 9.255 28.392 264 2HE MET 40 2HE MET 40 -7.213 8.716 26.727 265 3HE MET 40 3HE MET 40 -5.591 8.877 27.414 266 H GLU 41 H GLU 41 -3.707 11.083 32.307 267 HA GLU 41 HA GLU 41 -1.395 9.427 31.488 268 1HB GLU 41 1HB GLU 41 -1.587 10.890 33.581 269 2HB GLU 41 2HB GLU 41 -2.715 9.684 34.201 270 1HG GLU 41 1HG GLU 41 -0.159 8.638 33.108 271 2HG GLU 41 2HG GLU 41 -0.041 9.550 34.614 272 H VAL 42 H VAL 42 -1.949 7.467 30.574 273 HA VAL 42 HA VAL 42 -4.133 5.897 31.909 274 HB VAL 42 HB VAL 42 -4.833 5.185 29.736 275 1HG1 VAL 42 1HG1 VAL 42 -5.452 7.520 30.317 276 2HG1 VAL 42 2HG1 VAL 42 -3.996 8.093 29.503 277 3HG1 VAL 42 3HG1 VAL 42 -5.272 7.303 28.576 278 1HG2 VAL 42 1HG2 VAL 42 -2.109 6.160 28.938 279 2HG2 VAL 42 2HG2 VAL 42 -2.911 4.640 28.539 280 3HG2 VAL 42 3HG2 VAL 42 -3.396 6.133 27.732 281 H ALA 43 H ALA 43 -3.861 3.474 31.424 282 HA ALA 43 HA ALA 43 -1.149 2.652 32.136 283 1HB ALA 43 1HB ALA 43 -3.835 1.677 32.244 284 2HB ALA 43 3HB ALA 43 -2.403 0.993 33.014 285 3HB ALA 43 2HB ALA 43 -2.862 0.479 31.391 286 H GLU 44 H GLU 44 0.273 1.424 30.809 287 HA GLU 44 HA GLU 44 0.272 1.983 27.997 288 1HB GLU 44 1HB GLU 44 1.786 0.325 29.958 289 2HB GLU 44 2HB GLU 44 1.991 -0.077 28.254 290 1HG GLU 44 1HG GLU 44 2.982 1.953 27.753 291 2HG GLU 44 2HG GLU 44 2.133 2.805 29.043 292 H GLY 45 H GLY 45 -1.114 1.079 26.534 293 1HA GLY 45 2HA GLY 45 -1.729 -1.827 26.809 294 2HA GLY 45 1HA GLY 45 -1.754 -0.937 25.287 295 H GLU 46 H GLU 46 -3.097 1.171 27.377 296 HA GLU 46 HA GLU 46 -5.837 -0.018 27.246 297 1HB GLU 46 1HB GLU 46 -4.659 0.885 29.377 298 2HB GLU 46 2HB GLU 46 -4.981 2.483 28.704 299 1HG GLU 46 1HG GLU 46 -6.959 2.244 29.836 300 2HG GLU 46 2HG GLU 46 -7.422 1.349 28.389 301 H TYR 47 H TYR 47 -7.041 0.660 25.521 302 HA TYR 47 HA TYR 47 -6.453 2.572 23.606 303 1HB TYR 47 1HB TYR 47 -9.161 1.886 24.797 304 2HB TYR 47 2HB TYR 47 -8.895 2.577 23.197 305 HD1 TYR 47 HD1 TYR 47 -6.391 1.071 22.454 306 HD2 TYR 47 HD2 TYR 47 -10.071 -0.248 24.233 307 HE1 TYR 47 HE1 TYR 47 -6.020 -1.202 21.534 308 HE2 TYR 47 HE2 TYR 47 -9.701 -2.522 23.313 309 HH TYR 47 HH TYR 47 -8.460 -3.586 21.487 310 H ILE 48 H ILE 48 -6.002 4.721 23.841 311 HA ILE 48 HA ILE 48 -6.232 6.345 26.063 312 HB ILE 48 HB ILE 48 -6.588 6.970 23.118 313 1HG1 ILE 48 1HG1 ILE 48 -4.188 7.385 24.913 314 2HG1 ILE 48 2HG1 ILE 48 -4.441 5.901 23.994 315 1HG2 ILE 48 1HG2 ILE 48 -7.456 8.731 24.821 316 2HG2 ILE 48 2HG2 ILE 48 -5.754 8.960 25.225 317 3HG2 ILE 48 3HG2 ILE 48 -6.320 9.267 23.584 318 1HD1 ILE 48 1HD1 ILE 48 -4.844 8.214 22.300 319 2HD1 ILE 48 2HD1 ILE 48 -3.260 8.288 23.069 320 3HD1 ILE 48 3HD1 ILE 48 -3.706 6.882 22.103 321 H LEU 49 H LEU 49 -8.661 6.424 23.415 322 HA LEU 49 HA LEU 49 -10.621 8.009 24.529 323 1HB LEU 49 1HB LEU 49 -10.948 7.114 22.364 324 2HB LEU 49 2HB LEU 49 -10.719 5.457 22.920 325 HG LEU 49 HG LEU 49 -12.839 5.517 24.117 326 1HD1 LEU 49 1HD1 LEU 49 -12.621 7.984 24.695 327 2HD1 LEU 49 2HD1 LEU 49 -13.202 8.334 23.068 328 3HD1 LEU 49 3HD1 LEU 49 -14.235 7.471 24.206 329 1HD2 LEU 49 1HD2 LEU 49 -12.696 6.229 21.237 330 2HD2 LEU 49 2HD2 LEU 49 -13.434 4.829 22.015 331 3HD2 LEU 49 3HD2 LEU 49 -14.282 6.376 21.994 332 H GLU 50 H GLU 50 -10.257 4.495 25.161 333 HA GLU 50 HA GLU 50 -12.410 4.321 27.055 334 1HB GLU 50 1HB GLU 50 -11.459 2.394 25.903 335 2HB GLU 50 2HB GLU 50 -9.879 2.703 26.623 336 1HG GLU 50 1HG GLU 50 -12.148 2.422 28.521 337 2HG GLU 50 2HG GLU 50 -11.656 0.955 27.677 338 H ALA 51 H ALA 51 -8.891 4.794 27.469 339 HA ALA 51 HA ALA 51 -8.907 4.842 30.336 340 1HB ALA 51 1HB ALA 51 -7.023 6.354 28.524 341 2HB ALA 51 3HB ALA 51 -6.658 5.564 30.057 342 3HB ALA 51 2HB ALA 51 -6.990 4.594 28.623 343 H ALA 52 H ALA 52 -9.229 7.399 27.900 344 HA ALA 52 HA ALA 52 -9.363 9.536 29.890 345 1HB ALA 52 1HB ALA 52 -9.092 9.188 27.047 346 2HB ALA 52 3HB ALA 52 -10.391 10.339 27.366 347 3HB ALA 52 2HB ALA 52 -8.774 10.633 28.009 348 H GLU 53 H GLU 53 -11.673 7.704 27.929 349 HA GLU 53 HA GLU 53 -14.016 9.224 28.487 350 1HB GLU 53 1HB GLU 53 -13.723 7.397 26.793 351 2HB GLU 53 2HB GLU 53 -13.717 6.226 28.112 352 1HG GLU 53 1HG GLU 53 -15.966 6.450 27.070 353 2HG GLU 53 2HG GLU 53 -15.976 6.921 28.768 354 H ALA 54 H ALA 54 -12.285 6.814 30.377 355 HA ALA 54 HA ALA 54 -14.398 6.480 32.372 356 1HB ALA 54 1HB ALA 54 -11.554 5.637 31.933 357 2HB ALA 54 3HB ALA 54 -12.984 4.639 32.195 358 3HB ALA 54 2HB ALA 54 -12.233 5.478 33.553 359 H GLN 55 H GLN 55 -12.177 8.944 31.702 360 HA GLN 55 HA GLN 55 -11.945 9.781 34.558 361 1HB GLN 55 1HB GLN 55 -10.515 10.313 31.976 362 2HB GLN 55 2HB GLN 55 -10.421 11.525 33.253 363 1HG GLN 55 1HG GLN 55 -9.973 8.685 34.041 364 2HG GLN 55 2HG GLN 55 -8.697 9.471 33.113 365 2HE2 GLN 55 2HE2 GLN 55 -9.396 8.818 36.219 366 1HE2 GLN 55 1HE2 GLN 55 -8.798 10.211 36.984 367 H GLY 56 H GLY 56 -13.537 10.572 31.556 368 1HA GLY 56 2HA GLY 56 -14.535 13.114 32.775 369 2HA GLY 56 1HA GLY 56 -15.636 11.975 31.999 370 H TYR 57 H TYR 57 -12.927 11.711 30.208 371 HA TYR 57 HA TYR 57 -13.153 14.168 28.608 372 1HB TYR 57 1HB TYR 57 -11.604 11.576 28.305 373 2HB TYR 57 2HB TYR 57 -11.381 12.996 27.282 374 HD1 TYR 57 HD1 TYR 57 -11.717 15.163 29.317 375 HD2 TYR 57 HD2 TYR 57 -9.556 11.457 29.491 376 HE1 TYR 57 HE1 TYR 57 -10.184 16.136 31.008 377 HE2 TYR 57 HE2 TYR 57 -8.023 12.426 31.176 378 HH TYR 57 HH TYR 57 -8.640 14.981 32.964 379 H ASP 58 H ASP 58 -14.412 14.370 26.790 380 HA ASP 58 HA ASP 58 -15.761 11.901 25.752 381 1HB ASP 58 1HB ASP 58 -16.545 14.825 25.890 382 2HB ASP 58 2HB ASP 58 -17.459 13.637 24.962 383 H TRP 59 H TRP 59 -15.824 11.626 23.459 384 HA TRP 59 HA TRP 59 -14.122 13.522 21.877 385 1HB TRP 59 1HB TRP 59 -14.174 10.492 21.719 386 2HB TRP 59 2HB TRP 59 -13.075 11.570 20.857 387 HD1 TRP 59 HD1 TRP 59 -14.005 10.632 24.488 388 HE1 TRP 59 HE1 TRP 59 -11.903 10.910 25.955 389 HE3 TRP 59 HE3 TRP 59 -10.749 12.495 21.023 390 HZ2 TRP 59 HZ2 TRP 59 -9.201 11.803 25.692 391 HZ3 TRP 59 HZ3 TRP 59 -8.419 13.049 21.659 392 HH2 TRP 59 HH2 TRP 59 -7.641 12.704 23.988 393 HA PRO 60 HA PRO 60 -17.298 13.427 18.861 394 1HB PRO 60 1HB PRO 60 -15.872 13.434 16.521 395 2HB PRO 60 2HB PRO 60 -16.017 14.855 17.573 396 1HG PRO 60 1HG PRO 60 -13.782 12.894 17.322 397 2HG PRO 60 2HG PRO 60 -13.720 14.651 17.522 398 1HD PRO 60 1HD PRO 60 -13.301 12.899 19.564 399 2HD PRO 60 2HD PRO 60 -13.973 14.527 19.802 400 H PHE 61 H PHE 61 -18.316 11.402 19.034 401 HA PHE 61 HA PHE 61 -17.122 8.902 18.229 402 1HB PHE 61 1HB PHE 61 -20.011 9.769 18.574 403 2HB PHE 61 2HB PHE 61 -19.447 8.098 18.536 404 HD1 PHE 61 HD1 PHE 61 -17.049 8.052 20.111 405 HD2 PHE 61 HD2 PHE 61 -20.634 10.329 20.753 406 HE1 PHE 61 HE1 PHE 61 -16.541 8.169 22.535 407 HE2 PHE 61 HE2 PHE 61 -20.127 10.446 23.178 408 HZ PHE 61 HZ PHE 61 -18.080 9.365 24.070 409 H SER 62 H SER 62 -16.358 9.857 16.031 410 HA SER 62 HA SER 62 -18.445 10.138 13.970 411 1HB SER 62 1HB SER 62 -16.179 10.226 12.596 412 2HB SER 62 2HB SER 62 -16.638 11.575 13.637 413 HG SER 62 HG SER 62 -14.703 11.174 14.405 414 H CYS 63 H CYS 63 -17.255 7.510 15.511 415 HA CYS 63 HA CYS 63 -16.808 5.820 13.112 416 1HB CYS 63 1HB CYS 63 -15.744 5.932 15.648 417 2HB CYS 63 2HB CYS 63 -16.898 4.608 15.799 418 H ARG 64 H ARG 64 -18.783 5.337 12.150 419 HA ARG 64 HA ARG 64 -20.608 3.557 13.551 420 1HB ARG 64 1HB ARG 64 -22.543 5.245 13.270 421 2HB ARG 64 2HB ARG 64 -21.404 5.550 14.583 422 1HG ARG 64 1HG ARG 64 -20.290 7.258 13.365 423 2HG ARG 64 2HG ARG 64 -21.024 6.760 11.841 424 1HD ARG 64 1HD ARG 64 -23.198 7.306 13.548 425 2HD ARG 64 2HD ARG 64 -22.044 8.626 13.817 426 HE ARG 64 HE ARG 64 -22.019 8.961 11.338 427 1HH1 ARG 64 1HH1 ARG 64 -23.411 6.175 10.996 428 2HH1 ARG 64 2HH1 ARG 64 -24.963 6.693 10.431 429 1HH2 ARG 64 1HH2 ARG 64 -24.489 10.002 11.355 430 2HH2 ARG 64 2HH2 ARG 64 -25.574 8.861 10.632 431 H ALA 65 H ALA 65 -19.816 2.488 11.482 432 HA ALA 65 HA ALA 65 -21.831 2.759 9.385 433 1HB ALA 65 1HB ALA 65 -19.396 3.126 7.975 434 2HB ALA 65 3HB ALA 65 -20.713 4.286 8.154 435 3HB ALA 65 2HB ALA 65 -19.381 4.280 9.309 436 H GLY 66 H GLY 66 -18.614 1.494 10.269 437 1HA GLY 66 2HA GLY 66 -19.302 -1.018 8.797 438 2HA GLY 66 1HA GLY 66 -18.615 -1.063 10.421 439 H ALA 67 H ALA 67 -17.432 1.500 8.511 440 HA ALA 67 HA ALA 67 -14.821 0.094 8.231 441 1HB ALA 67 1HB ALA 67 -15.069 -0.092 5.994 442 2HB ALA 67 3HB ALA 67 -16.717 0.513 6.154 443 3HB ALA 67 2HB ALA 67 -15.389 1.637 5.865 444 H CYS 68 H CYS 68 -13.583 1.487 9.466 445 HA CYS 68 HA CYS 68 -13.561 4.365 8.672 446 1HB CYS 68 1HB CYS 68 -15.041 4.320 10.541 447 2HB CYS 68 2HB CYS 68 -14.038 3.151 11.402 448 H ALA 69 H ALA 69 -11.513 5.355 9.004 449 HA ALA 69 HA ALA 69 -9.344 3.689 10.193 450 1HB ALA 69 1HB ALA 69 -8.214 4.766 7.898 451 2HB ALA 69 3HB ALA 69 -8.781 3.104 8.069 452 3HB ALA 69 2HB ALA 69 -9.840 4.330 7.372 453 H ASN 70 H ASN 70 -10.906 6.499 10.358 454 HA ASN 70 HA ASN 70 -8.467 7.991 11.201 455 1HB ASN 70 1HB ASN 70 -9.321 8.398 8.747 456 2HB ASN 70 2HB ASN 70 -10.586 9.337 9.540 457 2HD2 ASN 70 2HD2 ASN 70 -7.093 8.980 10.368 458 1HD2 ASN 70 1HD2 ASN 70 -6.754 10.641 10.291 459 H CYS 71 H CYS 71 -8.875 9.310 12.989 460 HA CYS 71 HA CYS 71 -11.708 9.381 13.977 461 1HB CYS 71 2HB CYS 71 -9.146 9.558 15.587 462 2HB CYS 71 1HB CYS 71 -10.768 9.214 16.185 463 H ALA 72 H ALA 72 -10.410 11.242 16.131 464 HA ALA 72 HA ALA 72 -10.064 13.703 14.483 465 1HB ALA 72 1HB ALA 72 -11.910 13.794 16.832 466 2HB ALA 72 3HB ALA 72 -12.503 13.021 15.362 467 3HB ALA 72 2HB ALA 72 -11.975 14.703 15.322 468 H SER 73 H SER 73 -7.893 12.712 15.694 469 HA SER 73 HA SER 73 -7.630 14.289 18.238 470 1HB SER 73 1HB SER 73 -6.063 11.804 17.534 471 2HB SER 73 2HB SER 73 -6.339 12.508 19.127 472 HG SER 73 HG SER 73 -8.693 12.075 18.406 473 H ILE 74 H ILE 74 -6.370 16.054 17.722 474 HA ILE 74 HA ILE 74 -4.373 15.898 15.555 475 HB ILE 74 HB ILE 74 -5.129 18.150 17.442 476 1HG1 ILE 74 2HG1 ILE 74 -7.159 17.498 16.378 477 2HG1 ILE 74 1HG1 ILE 74 -6.557 18.859 15.433 478 1HG2 ILE 74 1HG2 ILE 74 -2.988 18.211 15.960 479 2HG2 ILE 74 2HG2 ILE 74 -4.117 18.413 14.620 480 3HG2 ILE 74 3HG2 ILE 74 -4.077 19.598 15.924 481 1HD1 ILE 74 1HD1 ILE 74 -5.330 16.882 14.101 482 2HD1 ILE 74 2HD1 ILE 74 -6.705 15.965 14.715 483 3HD1 ILE 74 3HD1 ILE 74 -6.973 17.387 13.707 484 H VAL 75 H VAL 75 -3.030 14.286 16.817 485 HA VAL 75 HA VAL 75 -1.830 14.721 19.317 486 HB VAL 75 HB VAL 75 -1.696 12.736 17.720 487 1HG1 VAL 75 1HG1 VAL 75 -0.872 14.307 15.831 488 2HG1 VAL 75 2HG1 VAL 75 0.711 14.166 16.595 489 3HG1 VAL 75 3HG1 VAL 75 -0.100 12.728 15.977 490 1HG2 VAL 75 1HG2 VAL 75 -0.324 12.985 19.816 491 2HG2 VAL 75 2HG2 VAL 75 0.461 12.018 18.566 492 3HG2 VAL 75 3HG2 VAL 75 0.959 13.689 18.831 493 H LYS 76 H LYS 76 -0.692 16.491 20.009 494 HA LYS 76 HA LYS 76 0.572 18.320 18.082 495 1HB LYS 76 1HB LYS 76 -0.762 18.842 20.242 496 2HB LYS 76 2HB LYS 76 0.714 18.398 21.099 497 1HG LYS 76 1HG LYS 76 0.577 20.847 20.663 498 2HG LYS 76 2HG LYS 76 1.972 20.108 19.879 499 1HD LYS 76 1HD LYS 76 0.618 21.717 18.434 500 2HD LYS 76 2HD LYS 76 0.887 20.117 17.743 501 1HE LYS 76 1HE LYS 76 -1.352 19.399 18.460 502 2HE LYS 76 2HE LYS 76 -1.623 20.967 19.240 503 1HZ LYS 76 1HZ LYS 76 -0.717 21.574 16.721 504 2HZ LYS 76 2HZ LYS 76 -1.781 20.275 16.468 505 3HZ LYS 76 3HZ LYS 76 -2.325 21.677 17.256 506 H GLU 77 H GLU 77 1.510 15.594 19.955 507 HA GLU 77 HA GLU 77 4.163 15.479 18.946 508 1HB GLU 77 1HB GLU 77 3.737 17.470 20.921 509 2HB GLU 77 2HB GLU 77 4.661 16.186 21.699 510 1HG GLU 77 1HG GLU 77 5.937 16.358 19.288 511 2HG GLU 77 2HG GLU 77 5.458 18.037 19.537 512 H GLY 78 H GLY 78 5.350 13.668 19.880 513 1HA GLY 78 2HA GLY 78 3.798 12.071 21.872 514 2HA GLY 78 1HA GLY 78 5.539 11.932 21.623 515 H GLU 79 H GLU 79 3.451 9.827 21.438 516 HA GLU 79 HA GLU 79 3.076 9.183 18.623 517 1HB GLU 79 1HB GLU 79 5.484 8.883 18.776 518 2HB GLU 79 2HB GLU 79 5.308 7.901 20.230 519 1HG GLU 79 1HG GLU 79 4.045 6.215 18.929 520 2HG GLU 79 2HG GLU 79 4.250 7.193 17.475 521 H ILE 80 H ILE 80 1.505 7.593 18.473 522 HA ILE 80 HA ILE 80 0.743 6.192 21.014 523 HB ILE 80 HB ILE 80 -0.790 7.158 18.587 524 1HG1 ILE 80 1HG1 ILE 80 -1.252 7.713 21.524 525 2HG1 ILE 80 2HG1 ILE 80 -0.191 8.710 20.528 526 1HG2 ILE 80 1HG2 ILE 80 -1.525 4.861 19.361 527 2HG2 ILE 80 2HG2 ILE 80 -1.909 5.586 20.922 528 3HG2 ILE 80 3HG2 ILE 80 -2.768 6.107 19.473 529 1HD1 ILE 80 1HD1 ILE 80 -2.173 8.925 18.911 530 2HD1 ILE 80 2HD1 ILE 80 -3.163 8.257 20.209 531 3HD1 ILE 80 3HD1 ILE 80 -2.316 9.785 20.444 532 H ASP 81 H ASP 81 0.555 3.943 20.955 533 HA ASP 81 HA ASP 81 1.759 2.534 18.687 534 1HB ASP 81 1HB ASP 81 0.933 2.053 21.474 535 2HB ASP 81 2HB ASP 81 0.717 0.656 20.421 536 H MET 82 H MET 82 0.538 2.041 16.901 537 HA MET 82 HA MET 82 -2.410 1.701 17.221 538 1HB MET 82 2HB MET 82 -0.727 1.986 14.717 539 2HB MET 82 1HB MET 82 -2.469 2.214 14.859 540 1HG MET 82 1HG MET 82 -1.484 3.938 16.779 541 2HG MET 82 2HG MET 82 -0.282 4.070 15.495 542 1HE MET 82 1HE MET 82 -1.420 3.650 12.942 543 2HE MET 82 2HE MET 82 -2.179 5.157 12.407 544 3HE MET 82 3HE MET 82 -0.626 5.195 13.240 545 H ASP 83 H ASP 83 -3.144 0.092 15.248 546 HA ASP 83 HA ASP 83 -2.492 -2.553 16.083 547 1HB ASP 83 1HB ASP 83 -3.699 -3.121 13.929 548 2HB ASP 83 2HB ASP 83 -4.567 -1.995 14.972 549 H MET 84 H MET 84 -1.672 -4.220 14.354 550 HA MET 84 HA MET 84 1.061 -3.466 13.627 551 1HB MET 84 1HB MET 84 -0.143 -5.724 14.466 552 2HB MET 84 2HB MET 84 -0.221 -6.005 12.727 553 1HG MET 84 1HG MET 84 2.232 -5.559 12.587 554 2HG MET 84 2HG MET 84 2.275 -5.403 14.343 555 1HE MET 84 1HE MET 84 2.741 -7.064 11.504 556 2HE MET 84 2HE MET 84 3.448 -8.576 12.068 557 3HE MET 84 3HE MET 84 1.795 -8.548 11.439 558 H GLN 85 H GLN 85 0.568 -1.800 11.979 559 HA GLN 85 HA GLN 85 0.484 -2.873 9.287 560 1HB GLN 85 1HB GLN 85 -1.969 -2.552 10.617 561 2HB GLN 85 2HB GLN 85 -1.857 -1.162 9.537 562 1HG GLN 85 1HG GLN 85 -1.980 -2.454 7.655 563 2HG GLN 85 2HG GLN 85 -1.039 -3.762 8.369 564 2HE2 GLN 85 2HE2 GLN 85 -2.394 -5.577 8.254 565 1HE2 GLN 85 1HE2 GLN 85 -4.002 -5.613 8.796 566 H GLN 86 H GLN 86 -0.705 -0.488 8.115 567 HA GLN 86 HA GLN 86 0.955 1.759 9.138 568 1HB GLN 86 1HB GLN 86 1.361 0.142 6.668 569 2HB GLN 86 2HB GLN 86 1.576 1.886 6.512 570 1HG GLN 86 1HG GLN 86 3.434 1.911 7.861 571 2HG GLN 86 2HG GLN 86 2.838 0.602 8.882 572 2HE2 GLN 86 2HE2 GLN 86 2.447 -1.491 7.132 573 1HE2 GLN 86 1HE2 GLN 86 3.890 -1.888 6.329 574 H ILE 87 H ILE 87 -0.329 1.477 5.874 575 HA ILE 87 HA ILE 87 -2.043 2.686 4.782 576 HB ILE 87 HB ILE 87 -3.308 2.673 7.532 577 1HG1 ILE 87 1HG1 ILE 87 -3.234 0.422 5.499 578 2HG1 ILE 87 2HG1 ILE 87 -2.335 0.442 7.016 579 1HG2 ILE 87 1HG2 ILE 87 -4.199 3.072 4.739 580 2HG2 ILE 87 2HG2 ILE 87 -5.222 2.006 5.701 581 3HG2 ILE 87 3HG2 ILE 87 -4.912 3.655 6.242 582 1HD1 ILE 87 1HD1 ILE 87 -5.307 0.888 7.045 583 2HD1 ILE 87 2HD1 ILE 87 -4.673 -0.753 6.919 584 3HD1 ILE 87 3HD1 ILE 87 -4.268 0.245 8.317 585 H LEU 88 H LEU 88 -3.291 4.836 4.918 586 HA LEU 88 HA LEU 88 -3.277 7.173 5.259 587 1HB LEU 88 1HB LEU 88 -1.854 6.412 7.826 588 2HB LEU 88 2HB LEU 88 -2.826 7.853 7.536 589 HG LEU 88 HG LEU 88 -4.007 5.092 7.233 590 1HD1 LEU 88 1HD1 LEU 88 -2.962 5.427 9.528 591 2HD1 LEU 88 2HD1 LEU 88 -4.093 6.761 9.756 592 3HD1 LEU 88 3HD1 LEU 88 -4.698 5.120 9.530 593 1HD2 LEU 88 1HD2 LEU 88 -5.092 7.874 7.737 594 2HD2 LEU 88 2HD2 LEU 88 -5.332 6.877 6.303 595 3HD2 LEU 88 3HD2 LEU 88 -6.080 6.417 7.832 596 H SER 89 H SER 89 -1.602 9.024 5.850 597 HA SER 89 HA SER 89 1.144 8.209 4.965 598 1HB SER 89 1HB SER 89 -0.806 10.201 3.857 599 2HB SER 89 2HB SER 89 0.917 10.554 3.736 600 HG SER 89 HG SER 89 -0.252 9.229 2.019 601 H ASP 90 H ASP 90 2.819 9.718 5.678 602 HA ASP 90 HA ASP 90 2.486 10.707 8.338 603 1HB ASP 90 1HB ASP 90 4.531 10.190 6.540 604 2HB ASP 90 2HB ASP 90 4.608 11.941 6.733 605 H GLU 91 H GLU 91 2.357 12.330 5.183 606 HA GLU 91 HA GLU 91 2.343 15.028 5.939 607 1HB GLU 91 1HB GLU 91 1.939 13.581 3.665 608 2HB GLU 91 2HB GLU 91 0.302 14.166 3.963 609 1HG GLU 91 2HG GLU 91 0.998 16.059 2.914 610 2HG GLU 91 1HG GLU 91 1.810 16.420 4.438 611 H GLU 92 H GLU 92 -0.154 12.587 6.309 612 HA GLU 92 HA GLU 92 -2.290 14.426 7.033 613 1HB GLU 92 1HB GLU 92 -2.001 11.757 6.347 614 2HB GLU 92 2HB GLU 92 -2.394 11.673 8.064 615 1HG GLU 92 1HG GLU 92 -4.309 13.289 7.565 616 2HG GLU 92 2HG GLU 92 -3.994 12.987 5.856 617 H VAL 93 H VAL 93 -0.086 12.297 8.876 618 HA VAL 93 HA VAL 93 -1.042 13.289 11.462 619 HB VAL 93 HB VAL 93 1.322 11.587 10.602 620 1HG1 VAL 93 1HG1 VAL 93 0.256 12.428 13.277 621 2HG1 VAL 93 2HG1 VAL 93 0.956 10.819 13.103 622 3HG1 VAL 93 3HG1 VAL 93 1.930 12.246 12.750 623 1HG2 VAL 93 1HG2 VAL 93 -1.096 10.806 10.146 624 2HG2 VAL 93 2HG2 VAL 93 -0.052 9.704 11.045 625 3HG2 VAL 93 3HG2 VAL 93 -1.250 10.677 11.898 626 H GLU 94 H GLU 94 0.997 14.529 9.088 627 HA GLU 94 HA GLU 94 2.800 15.916 11.012 628 1HB GLU 94 1HB GLU 94 2.700 15.478 8.023 629 2HB GLU 94 2HB GLU 94 3.813 16.642 8.740 630 1HG GLU 94 1HG GLU 94 4.319 14.534 10.339 631 2HG GLU 94 2HG GLU 94 3.825 13.668 8.884 632 H GLU 95 H GLU 95 0.432 16.592 8.431 633 HA GLU 95 HA GLU 95 0.532 19.494 8.974 634 1HB GLU 95 1HB GLU 95 -0.809 17.630 7.027 635 2HB GLU 95 2HB GLU 95 -1.351 19.303 7.157 636 1HG GLU 95 1HG GLU 95 1.333 19.685 7.037 637 2HG GLU 95 2HG GLU 95 1.190 18.212 6.077 638 H LYS 96 H LYS 96 -1.979 16.924 9.045 639 HA LYS 96 HA LYS 96 -3.769 18.681 10.608 640 1HB LYS 96 1HB LYS 96 -3.887 16.019 9.225 641 2HB LYS 96 2HB LYS 96 -5.112 16.401 10.436 642 1HG LYS 96 1HG LYS 96 -6.201 17.674 8.934 643 2HG LYS 96 2HG LYS 96 -4.775 18.698 8.767 644 1HD LYS 96 1HD LYS 96 -5.445 17.728 6.589 645 2HD LYS 96 2HD LYS 96 -3.853 17.151 7.084 646 1HE LYS 96 1HE LYS 96 -4.839 15.119 6.520 647 2HE LYS 96 2HE LYS 96 -5.354 15.220 8.215 648 1HZ LYS 96 1HZ LYS 96 -7.345 16.429 7.448 649 2HZ LYS 96 2HZ LYS 96 -6.868 16.176 5.838 650 3HZ LYS 96 3HZ LYS 96 -7.273 14.852 6.821 651 H ASP 97 H ASP 97 -1.573 15.996 11.121 652 HA ASP 97 HA ASP 97 -0.797 15.053 13.154 653 1HB ASP 97 2HB ASP 97 -2.561 17.049 14.570 654 2HB ASP 97 1HB ASP 97 -0.985 16.430 15.063 655 H VAL 98 H VAL 98 -3.437 14.320 11.822 656 HA VAL 98 HA VAL 98 -5.166 13.544 14.073 657 HB VAL 98 HB VAL 98 -6.003 14.321 11.858 658 1HG1 VAL 98 1HG1 VAL 98 -4.552 11.830 10.950 659 2HG1 VAL 98 2HG1 VAL 98 -5.849 12.553 9.997 660 3HG1 VAL 98 3HG1 VAL 98 -4.383 13.473 10.335 661 1HG2 VAL 98 1HG2 VAL 98 -6.658 11.445 12.569 662 2HG2 VAL 98 2HG2 VAL 98 -7.440 12.885 13.221 663 3HG2 VAL 98 3HG2 VAL 98 -7.637 12.469 11.518 664 H ARG 99 H ARG 99 -5.702 11.277 14.500 665 HA ARG 99 HA ARG 99 -4.059 9.147 13.330 666 1HB ARG 99 1HB ARG 99 -3.075 10.664 15.487 667 2HB ARG 99 2HB ARG 99 -3.625 9.149 16.202 668 1HG ARG 99 1HG ARG 99 -2.243 7.855 14.720 669 2HG ARG 99 2HG ARG 99 -1.865 9.271 13.740 670 1HD ARG 99 1HD ARG 99 -0.744 10.291 15.754 671 2HD ARG 99 2HD ARG 99 -0.993 8.755 16.605 672 HE ARG 99 HE ARG 99 0.162 7.960 14.233 673 1HH1 ARG 99 1HH1 ARG 99 1.118 9.269 17.171 674 2HH1 ARG 99 2HH1 ARG 99 2.738 9.637 16.682 675 1HH2 ARG 99 1HH2 ARG 99 2.184 8.881 13.344 676 2HH2 ARG 99 2HH2 ARG 99 3.341 9.418 14.515 677 H LEU 100 H LEU 100 -4.372 7.218 15.300 678 HA LEU 100 HA LEU 100 -7.353 7.019 15.480 679 1HB LEU 100 1HB LEU 100 -5.063 5.115 15.119 680 2HB LEU 100 2HB LEU 100 -6.560 4.515 15.834 681 HG LEU 100 HG LEU 100 -7.716 5.708 13.821 682 1HD1 LEU 100 1HD1 LEU 100 -4.820 5.826 13.141 683 2HD1 LEU 100 2HD1 LEU 100 -5.918 5.364 11.842 684 3HD1 LEU 100 3HD1 LEU 100 -6.131 6.906 12.669 685 1HD2 LEU 100 1HD2 LEU 100 -7.309 3.179 14.281 686 2HD2 LEU 100 2HD2 LEU 100 -7.708 3.672 12.636 687 3HD2 LEU 100 3HD2 LEU 100 -6.035 3.320 13.070 688 H THR 101 H THR 101 -8.226 7.164 17.502 689 HA THR 101 HA THR 101 -6.492 6.473 19.854 690 HB THR 101 HB THR 101 -6.763 8.906 19.545 691 HG1 THR 101 HG1 THR 101 -6.720 8.332 21.654 692 1HG2 THR 101 1HG2 THR 101 -9.532 8.066 19.035 693 2HG2 THR 101 2HG2 THR 101 -9.401 9.462 20.105 694 3HG2 THR 101 3HG2 THR 101 -8.678 9.512 18.497 695 H CYS 102 H CYS 102 -9.081 5.464 18.136 696 HA CYS 102 HA CYS 102 -11.043 5.057 20.269 697 1HB CYS 102 1HB CYS 102 -10.708 3.944 17.465 698 2HB CYS 102 2HB CYS 102 -12.151 3.731 18.457 699 H ILE 103 H ILE 103 -8.403 3.222 18.821 700 HA ILE 103 HA ILE 103 -8.721 1.167 20.952 701 HB ILE 103 HB ILE 103 -8.354 -0.550 19.056 702 1HG1 ILE 103 1HG1 ILE 103 -9.342 1.802 17.414 703 2HG1 ILE 103 2HG1 ILE 103 -7.694 1.174 17.369 704 1HG2 ILE 103 1HG2 ILE 103 -10.626 0.472 20.230 705 2HG2 ILE 103 2HG2 ILE 103 -10.980 0.664 18.513 706 3HG2 ILE 103 3HG2 ILE 103 -10.590 -0.930 19.160 707 1HD1 ILE 103 1HD1 ILE 103 -8.799 -1.110 16.846 708 2HD1 ILE 103 2HD1 ILE 103 -10.243 -0.168 16.470 709 3HD1 ILE 103 3HD1 ILE 103 -8.756 0.092 15.557 710 H GLY 104 H GLY 104 -6.767 3.374 20.215 711 1HA GLY 104 2HA GLY 104 -4.431 3.424 19.414 712 2HA GLY 104 1HA GLY 104 -4.335 1.697 19.761 713 H SER 105 H SER 105 -2.408 2.340 21.070 714 HA SER 105 HA SER 105 -3.218 3.401 23.759 715 1HB SER 105 1HB SER 105 -1.257 1.781 24.434 716 2HB SER 105 2HB SER 105 -2.846 1.106 24.067 717 HG SER 105 HG SER 105 -0.486 0.797 22.764 718 HA PRO 106 HA PRO 106 0.118 6.231 23.494 719 1HB PRO 106 1HB PRO 106 1.169 6.165 26.024 720 2HB PRO 106 2HB PRO 106 -0.387 6.926 25.640 721 1HG PRO 106 2HG PRO 106 0.180 4.251 26.829 722 2HG PRO 106 1HG PRO 106 -1.092 5.414 27.230 723 1HD PRO 106 1HD PRO 106 -1.509 3.194 25.700 724 2HD PRO 106 2HD PRO 106 -2.463 4.684 25.542 725 H ALA 107 H ALA 107 2.073 5.931 22.499 726 HA ALA 107 HA ALA 107 3.675 3.503 23.193 727 1HB ALA 107 1HB ALA 107 4.039 5.342 20.826 728 2HB ALA 107 3HB ALA 107 2.764 4.124 20.839 729 3HB ALA 107 2HB ALA 107 4.454 3.633 20.960 730 H ALA 108 H ALA 108 3.663 6.962 23.391 731 HA ALA 108 HA ALA 108 6.587 6.968 24.058 732 1HB ALA 108 1HB ALA 108 6.369 8.500 22.345 733 2HB ALA 108 3HB ALA 108 4.682 8.839 22.728 734 3HB ALA 108 2HB ALA 108 5.967 9.562 23.695 735 H ASP 109 H ASP 109 7.149 7.538 26.141 736 HA ASP 109 HA ASP 109 5.485 7.492 28.343 737 1HB ASP 109 1HB ASP 109 8.129 8.433 27.640 738 2HB ASP 109 2HB ASP 109 7.416 9.495 28.854 739 H GLU 110 H GLU 110 6.518 10.530 26.731 740 HA GLU 110 HA GLU 110 4.107 11.865 27.904 741 1HB GLU 110 1HB GLU 110 5.423 13.887 27.745 742 2HB GLU 110 2HB GLU 110 6.459 12.643 28.445 743 1HG GLU 110 2HG GLU 110 7.891 13.397 26.807 744 2HG GLU 110 1HG GLU 110 7.002 12.211 25.851 745 H VAL 111 H VAL 111 2.540 12.572 26.487 746 HA VAL 111 HA VAL 111 3.264 12.960 23.616 747 HB VAL 111 HB VAL 111 0.977 11.273 24.686 748 1HG1 VAL 111 1HG1 VAL 111 0.971 12.627 22.356 749 2HG1 VAL 111 2HG1 VAL 111 1.861 11.193 21.843 750 3HG1 VAL 111 3HG1 VAL 111 0.242 11.029 22.522 751 1HG2 VAL 111 1HG2 VAL 111 3.754 10.668 23.796 752 2HG2 VAL 111 2HG2 VAL 111 2.742 9.827 24.971 753 3HG2 VAL 111 3HG2 VAL 111 2.488 9.571 23.244 754 H LYS 112 H LYS 112 1.732 14.339 22.487 755 HA LYS 112 HA LYS 112 -0.209 15.782 24.261 756 1HB LYS 112 1HB LYS 112 1.654 16.976 22.182 757 2HB LYS 112 2HB LYS 112 0.586 17.868 23.264 758 1HG LYS 112 1HG LYS 112 2.130 16.161 24.910 759 2HG LYS 112 2HG LYS 112 3.255 16.887 23.764 760 1HD LYS 112 1HD LYS 112 1.397 18.893 24.665 761 2HD LYS 112 2HD LYS 112 2.112 18.093 26.065 762 1HE LYS 112 1HE LYS 112 3.936 19.410 25.739 763 2HE LYS 112 2HE LYS 112 4.251 18.472 24.268 764 1HZ LYS 112 1HZ LYS 112 2.373 19.980 23.316 765 2HZ LYS 112 2HZ LYS 112 2.811 21.024 24.581 766 3HZ LYS 112 3HZ LYS 112 3.959 20.578 23.410 767 H ILE 113 H ILE 113 -2.165 16.301 23.248 768 HA ILE 113 HA ILE 113 -2.469 16.142 20.328 769 HB ILE 113 HB ILE 113 -2.463 13.780 21.104 770 1HG1 ILE 113 1HG1 ILE 113 -5.307 13.981 20.527 771 2HG1 ILE 113 2HG1 ILE 113 -4.368 15.053 19.491 772 1HG2 ILE 113 1HG2 ILE 113 -4.817 14.721 22.771 773 2HG2 ILE 113 2HG2 ILE 113 -4.359 13.033 22.548 774 3HG2 ILE 113 3HG2 ILE 113 -3.269 14.139 23.384 775 1HD1 ILE 113 1HD1 ILE 113 -2.811 12.856 19.362 776 2HD1 ILE 113 2HD1 ILE 113 -4.372 12.083 19.636 777 3HD1 ILE 113 3HD1 ILE 113 -4.145 13.142 18.243 778 H VAL 114 H VAL 114 -4.613 16.885 19.658 779 HA VAL 114 HA VAL 114 -5.997 18.453 21.803 780 HB VAL 114 HB VAL 114 -6.224 18.762 18.800 781 1HG1 VAL 114 1HG1 VAL 114 -7.824 19.895 20.461 782 2HG1 VAL 114 2HG1 VAL 114 -6.434 20.855 20.969 783 3HG1 VAL 114 3HG1 VAL 114 -7.009 20.949 19.305 784 1HG2 VAL 114 1HG2 VAL 114 -3.818 18.836 19.580 785 2HG2 VAL 114 2HG2 VAL 114 -4.395 20.338 18.859 786 3HG2 VAL 114 3HG2 VAL 114 -4.262 20.195 20.612 787 H TYR 115 H TYR 115 -7.849 17.457 22.510 788 HA TYR 115 HA TYR 115 -9.156 15.385 20.914 789 1HB TYR 115 2HB TYR 115 -9.947 14.784 22.963 790 2HB TYR 115 1HB TYR 115 -8.819 15.982 23.587 791 HD1 TYR 115 HD1 TYR 115 -9.637 18.348 24.018 792 HD2 TYR 115 HD2 TYR 115 -12.293 15.088 23.134 793 HE1 TYR 115 HE1 TYR 115 -11.538 19.650 24.925 794 HE2 TYR 115 HE2 TYR 115 -14.196 16.394 24.043 795 HH TYR 115 HH TYR 115 -13.723 19.355 25.787 796 H ASN 116 H ASN 116 -11.374 15.494 20.184 797 HA ASN 116 HA ASN 116 -13.329 16.551 19.354 798 1HB ASN 116 1HB ASN 116 -12.564 18.050 21.547 799 2HB ASN 116 2HB ASN 116 -12.598 19.251 20.258 800 2HD2 ASN 116 2HD2 ASN 116 -14.547 18.972 22.503 801 1HD2 ASN 116 1HD2 ASN 116 -16.059 18.716 21.777 802 H ALA 117 H ALA 117 -11.120 16.212 17.672 803 HA ALA 117 HA ALA 117 -10.284 18.650 16.359 804 1HB ALA 117 1HB ALA 117 -9.085 16.474 16.301 805 2HB ALA 117 3HB ALA 117 -9.445 17.050 14.673 806 3HB ALA 117 2HB ALA 117 -10.425 15.773 15.393 807 H LYS 118 H LYS 118 -13.228 16.931 16.374 808 HA LYS 118 HA LYS 118 -14.172 17.213 13.707 809 1HB LYS 118 2HB LYS 118 -16.340 16.904 14.747 810 2HB LYS 118 1HB LYS 118 -15.171 15.950 15.661 811 1HG LYS 118 2HG LYS 118 -16.039 17.031 17.468 812 2HG LYS 118 1HG LYS 118 -15.013 18.365 16.944 813 1HD LYS 118 1HD LYS 118 -17.072 19.437 17.066 814 2HD LYS 118 2HD LYS 118 -17.079 18.916 15.381 815 1HE LYS 118 1HE LYS 118 -18.944 17.692 15.782 816 2HE LYS 118 2HE LYS 118 -18.064 16.755 17.004 817 H HIS 119 H HIS 119 -13.558 19.596 16.144 818 HA HIS 119 HA HIS 119 -15.429 21.620 15.298 819 1HB HIS 119 1HB HIS 119 -12.823 21.551 16.827 820 2HB HIS 119 2HB HIS 119 -13.681 23.066 16.544 821 HD1 HIS 119 HD1 HIS 119 -16.495 22.600 17.083 822 HD2 HIS 119 HD2 HIS 119 -13.599 20.547 19.274 823 HE1 HIS 119 HE1 HIS 119 -17.623 21.828 19.215 824 H LEU 120 H LEU 120 -12.189 20.691 14.223 825 HA LEU 120 HA LEU 120 -11.261 22.889 12.824 826 1HB LEU 120 1HB LEU 120 -10.923 20.076 12.839 827 2HB LEU 120 2HB LEU 120 -11.126 20.538 11.149 828 HG LEU 120 HG LEU 120 -9.397 22.392 12.607 829 1HD1 LEU 120 1HD1 LEU 120 -8.883 19.450 12.726 830 2HD1 LEU 120 2HD1 LEU 120 -7.512 20.509 12.397 831 3HD1 LEU 120 3HD1 LEU 120 -8.448 20.712 13.878 832 1HD2 LEU 120 1HD2 LEU 120 -9.758 22.053 10.080 833 2HD2 LEU 120 2HD2 LEU 120 -8.091 22.226 10.628 834 3HD2 LEU 120 3HD2 LEU 120 -8.731 20.628 10.245 835 H ASP 121 H ASP 121 -11.822 23.972 10.923 836 HA ASP 121 HA ASP 121 -14.482 24.028 9.991 837 1HB ASP 121 1HB ASP 121 -12.700 25.743 9.660 838 2HB ASP 121 2HB ASP 121 -11.922 24.674 8.492 839 H TYR 122 H TYR 122 -11.807 21.943 9.034 840 HA TYR 122 HA TYR 122 -13.011 20.964 6.585 841 1HB TYR 122 1HB TYR 122 -10.559 20.945 7.411 842 2HB TYR 122 2HB TYR 122 -11.022 19.524 8.348 843 HD1 TYR 122 HD1 TYR 122 -11.557 20.849 4.869 844 HD2 TYR 122 HD2 TYR 122 -10.605 17.470 7.344 845 HE1 TYR 122 HE1 TYR 122 -11.320 19.436 2.846 846 HE2 TYR 122 HE2 TYR 122 -10.368 16.056 5.320 847 HH TYR 122 HH TYR 122 -11.565 16.524 2.602 848 H LEU 123 H LEU 123 -13.711 20.449 9.881 849 HA LEU 123 HA LEU 123 -15.032 17.824 9.281 850 1HB LEU 123 1HB LEU 123 -13.697 19.068 11.658 851 2HB LEU 123 2HB LEU 123 -14.983 17.894 11.943 852 HG LEU 123 HG LEU 123 -13.215 16.933 9.869 853 1HD1 LEU 123 1HD1 LEU 123 -11.871 18.487 11.788 854 2HD1 LEU 123 2HD1 LEU 123 -11.619 16.815 12.289 855 3HD1 LEU 123 3HD1 LEU 123 -11.147 17.332 10.670 856 1HD2 LEU 123 1HD2 LEU 123 -14.757 15.952 11.976 857 2HD2 LEU 123 2HD2 LEU 123 -13.720 14.995 10.918 858 3HD2 LEU 123 3HD2 LEU 123 -13.100 15.588 12.459 859 H GLN 124 H GLN 124 -15.463 21.009 10.814 860 HA GLN 124 HA GLN 124 -18.101 20.693 11.801 861 1HB GLN 124 1HB GLN 124 -16.413 22.606 12.063 862 2HB GLN 124 2HB GLN 124 -16.968 23.176 10.489 863 1HG GLN 124 2HG GLN 124 -18.554 24.294 11.669 864 2HG GLN 124 1HG GLN 124 -19.342 22.723 11.815 865 2HE2 GLN 124 2HE2 GLN 124 -19.435 21.775 13.902 866 1HE2 GLN 124 1HE2 GLN 124 -18.717 22.460 15.279 867 H ASN 125 H ASN 125 -16.918 21.273 8.531 868 HA ASN 125 HA ASN 125 -19.141 22.187 7.147 869 1HB ASN 125 1HB ASN 125 -16.776 20.547 6.652 870 2HB ASN 125 2HB ASN 125 -18.109 20.108 5.584 871 2HD2 ASN 125 2HD2 ASN 125 -16.130 21.233 4.183 872 1HD2 ASN 125 1HD2 ASN 125 -16.415 22.869 3.835 873 H ARG 126 H ARG 126 -18.562 18.889 8.348 874 HA ARG 126 HA ARG 126 -20.574 17.399 7.175 875 1HB ARG 126 1HB ARG 126 -19.071 17.458 9.663 876 2HB ARG 126 2HB ARG 126 -20.683 16.789 9.917 877 1HG ARG 126 1HG ARG 126 -19.295 15.840 7.481 878 2HG ARG 126 2HG ARG 126 -18.564 15.334 9.003 879 1HD ARG 126 1HD ARG 126 -21.314 14.974 9.412 880 2HD ARG 126 2HD ARG 126 -21.028 14.396 7.759 881 HE ARG 126 HE ARG 126 -18.921 13.279 9.041 882 1HH1 ARG 126 1HH1 ARG 126 -19.309 12.831 11.584 883 2HH1 ARG 126 2HH1 ARG 126 -20.605 11.702 11.800 884 1HH2 ARG 126 1HH2 ARG 126 -21.863 12.127 8.597 885 2HH2 ARG 126 2HH2 ARG 126 -22.050 11.304 10.109 886 H VAL 127 H VAL 127 -20.949 19.806 9.767 887 HA VAL 127 HA VAL 127 -23.677 19.353 10.411 888 HB VAL 127 HB VAL 127 -21.963 21.856 10.347 889 1HG1 VAL 127 1HG1 VAL 127 -24.478 22.255 10.389 890 2HG1 VAL 127 2HG1 VAL 127 -24.501 21.406 11.935 891 3HG1 VAL 127 3HG1 VAL 127 -23.587 22.905 11.767 892 1HG2 VAL 127 1HG2 VAL 127 -22.612 19.781 12.453 893 2HG2 VAL 127 2HG2 VAL 127 -21.025 20.216 11.820 894 3HG2 VAL 127 3HG2 VAL 127 -21.906 21.348 12.847 895 H ILE 128 H ILE 128 -22.606 22.185 8.519 896 HA ILE 128 HA ILE 128 -24.753 21.633 6.518 897 HB ILE 128 HB ILE 128 -25.334 24.130 6.819 898 1HG1 ILE 128 1HG1 ILE 128 -24.416 23.972 9.613 899 2HG1 ILE 128 2HG1 ILE 128 -23.108 24.097 8.436 900 1HG2 ILE 128 1HG2 ILE 128 -25.852 22.080 8.990 901 2HG2 ILE 128 2HG2 ILE 128 -26.711 23.616 8.880 902 3HG2 ILE 128 3HG2 ILE 128 -26.862 22.427 7.586 903 1HD1 ILE 128 1HD1 ILE 128 -24.372 26.036 7.396 904 2HD1 ILE 128 2HD1 ILE 128 -25.458 25.979 8.784 905 3HD1 ILE 128 3HD1 ILE 128 -23.748 26.345 9.016 No H/Q in entry = 905 Start of MODEL 8 1 H2 PRO 1 H2 PRO 1 4.090 8.829 31.096 2 H3 PRO 1 H3 PRO 1 4.953 7.840 30.014 3 HA PRO 1 HA PRO 1 3.132 7.702 28.768 4 1HB PRO 1 1HB PRO 1 1.270 6.375 30.272 5 2HB PRO 1 2HB PRO 1 2.708 5.586 29.599 6 1HG PRO 1 2HG PRO 1 2.202 6.580 32.361 7 2HG PRO 1 1HG PRO 1 3.036 5.114 31.826 8 1HD PRO 1 1HD PRO 1 4.329 7.365 32.663 9 2HD PRO 1 2HD PRO 1 5.020 6.211 31.504 10 H THR 2 H THR 2 3.149 10.247 29.558 11 HA THR 2 HA THR 2 0.431 10.830 30.685 12 HB THR 2 HB THR 2 3.004 12.439 30.587 13 HG1 THR 2 HG1 THR 2 1.579 11.157 32.677 14 1HG2 THR 2 1HG2 THR 2 0.894 13.804 30.433 15 2HG2 THR 2 2HG2 THR 2 0.400 13.111 31.978 16 3HG2 THR 2 3HG2 THR 2 1.846 14.116 31.885 17 H VAL 3 H VAL 3 -1.010 11.536 29.168 18 HA VAL 3 HA VAL 3 0.059 12.879 26.704 19 HB VAL 3 HB VAL 3 -2.507 11.315 27.148 20 1HG1 VAL 3 1HG1 VAL 3 -1.197 12.595 24.751 21 2HG1 VAL 3 2HG1 VAL 3 -2.316 11.246 24.563 22 3HG1 VAL 3 3HG1 VAL 3 -2.864 12.748 25.306 23 1HG2 VAL 3 1HG2 VAL 3 -0.044 10.215 27.181 24 2HG2 VAL 3 2HG2 VAL 3 -1.435 9.404 26.460 25 3HG2 VAL 3 3HG2 VAL 3 -0.300 10.286 25.437 26 H GLU 4 H GLU 4 -0.314 15.065 26.844 27 HA GLU 4 HA GLU 4 -2.440 16.153 28.550 28 1HB GLU 4 1HB GLU 4 0.020 16.975 27.791 29 2HB GLU 4 2HB GLU 4 -0.949 17.823 26.586 30 1HG GLU 4 1HG GLU 4 -2.084 19.082 28.192 31 2HG GLU 4 2HG GLU 4 -1.771 17.912 29.474 32 H TYR 5 H TYR 5 -4.526 16.152 27.779 33 HA TYR 5 HA TYR 5 -5.023 16.237 24.859 34 1HB TYR 5 2HB TYR 5 -7.315 15.696 25.559 35 2HB TYR 5 1HB TYR 5 -6.172 14.642 26.390 36 HD1 TYR 5 HD1 TYR 5 -8.363 17.605 26.755 37 HD2 TYR 5 HD2 TYR 5 -5.834 14.781 28.773 38 HE1 TYR 5 HE1 TYR 5 -9.228 18.393 28.941 39 HE2 TYR 5 HE2 TYR 5 -6.697 15.570 30.959 40 HH TYR 5 HH TYR 5 -8.914 16.725 31.749 41 H LEU 6 H LEU 6 -5.935 18.013 23.819 42 HA LEU 6 HA LEU 6 -6.636 20.394 25.508 43 1HB LEU 6 1HB LEU 6 -4.390 20.031 23.904 44 2HB LEU 6 2HB LEU 6 -5.483 20.954 22.872 45 HG LEU 6 HG LEU 6 -4.594 21.696 25.677 46 1HD1 LEU 6 1HD1 LEU 6 -3.684 22.346 22.966 47 2HD1 LEU 6 2HD1 LEU 6 -4.050 23.777 23.929 48 3HD1 LEU 6 3HD1 LEU 6 -2.872 22.599 24.511 49 1HD2 LEU 6 1HD2 LEU 6 -6.751 22.725 23.872 50 2HD2 LEU 6 2HD2 LEU 6 -6.743 22.569 25.629 51 3HD2 LEU 6 3HD2 LEU 6 -5.855 23.882 24.856 52 H ASN 7 H ASN 7 -8.701 21.059 25.055 53 HA ASN 7 HA ASN 7 -10.363 19.922 23.043 54 1HB ASN 7 1HB ASN 7 -11.098 21.058 25.121 55 2HB ASN 7 2HB ASN 7 -10.537 22.595 24.469 56 2HD2 ASN 7 2HD2 ASN 7 -12.738 23.477 24.448 57 1HD2 ASN 7 1HD2 ASN 7 -13.884 22.950 23.312 58 H TYR 8 H TYR 8 -10.392 20.310 20.862 59 HA TYR 8 HA TYR 8 -8.665 22.168 19.550 60 1HB TYR 8 1HB TYR 8 -9.645 20.138 18.539 61 2HB TYR 8 2HB TYR 8 -11.254 20.850 18.658 62 HD1 TYR 8 HD1 TYR 8 -11.797 22.924 17.346 63 HD2 TYR 8 HD2 TYR 8 -8.142 20.740 16.781 64 HE1 TYR 8 HE1 TYR 8 -11.451 24.067 15.172 65 HE2 TYR 8 HE2 TYR 8 -7.795 21.882 14.608 66 HH TYR 8 HH TYR 8 -8.539 24.091 13.554 67 H GLU 9 H GLU 9 -12.010 22.418 20.678 68 HA GLU 9 HA GLU 9 -12.713 24.859 19.352 69 1HB GLU 9 1HB GLU 9 -13.857 22.981 21.060 70 2HB GLU 9 2HB GLU 9 -13.834 24.454 22.031 71 1HG GLU 9 1HG GLU 9 -14.658 24.981 19.283 72 2HG GLU 9 2HG GLU 9 -15.712 23.804 20.068 73 H THR 10 H THR 10 -10.999 24.167 22.374 74 HA THR 10 HA THR 10 -11.004 26.809 23.478 75 HB THR 10 HB THR 10 -9.173 24.406 23.660 76 HG1 THR 10 HG1 THR 10 -10.193 24.687 25.890 77 1HG2 THR 10 1HG2 THR 10 -7.920 26.534 24.108 78 2HG2 THR 10 2HG2 THR 10 -9.079 26.889 25.390 79 3HG2 THR 10 3HG2 THR 10 -8.036 25.472 25.513 80 H LEU 11 H LEU 11 -9.081 25.287 20.960 81 HA LEU 11 HA LEU 11 -6.949 27.247 20.902 82 1HB LEU 11 1HB LEU 11 -7.288 24.791 19.917 83 2HB LEU 11 2HB LEU 11 -7.826 25.689 18.498 84 HG LEU 11 HG LEU 11 -5.458 25.339 18.248 85 1HD1 LEU 11 1HD1 LEU 11 -6.024 28.137 19.275 86 2HD1 LEU 11 2HD1 LEU 11 -4.602 27.684 18.336 87 3HD1 LEU 11 3HD1 LEU 11 -6.209 27.576 17.614 88 1HD2 LEU 11 1HD2 LEU 11 -5.343 25.108 20.922 89 2HD2 LEU 11 2HD2 LEU 11 -3.914 25.468 19.952 90 3HD2 LEU 11 3HD2 LEU 11 -4.774 26.770 20.773 91 H ASP 12 H ASP 12 -9.887 26.770 18.905 92 HA ASP 12 HA ASP 12 -9.467 29.241 17.410 93 1HB ASP 12 1HB ASP 12 -11.804 27.329 17.717 94 2HB ASP 12 2HB ASP 12 -11.733 28.627 16.526 95 H ASP 13 H ASP 13 -11.739 28.183 19.966 96 HA ASP 13 HA ASP 13 -13.261 30.542 20.230 97 1HB ASP 13 1HB ASP 13 -13.614 28.320 21.334 98 2HB ASP 13 2HB ASP 13 -12.263 28.679 22.410 99 H GLN 14 H GLN 14 -10.404 29.648 22.217 100 HA GLN 14 HA GLN 14 -10.136 32.238 23.432 101 1HB GLN 14 1HB GLN 14 -8.172 29.969 22.967 102 2HB GLN 14 2HB GLN 14 -7.918 31.301 24.095 103 1HG GLN 14 1HG GLN 14 -10.450 29.703 24.286 104 2HG GLN 14 2HG GLN 14 -8.961 29.023 24.941 105 2HE2 GLN 14 2HE2 GLN 14 -8.744 29.505 27.126 106 1HE2 GLN 14 1HE2 GLN 14 -9.256 30.943 27.868 107 H GLY 15 H GLY 15 -9.466 31.179 20.266 108 1HA GLY 15 2HA GLY 15 -8.426 33.716 19.440 109 2HA GLY 15 1HA GLY 15 -8.424 32.252 18.458 110 H TRP 16 H TRP 16 -6.854 30.625 20.213 111 HA TRP 16 HA TRP 16 -4.275 32.097 20.481 112 1HB TRP 16 1HB TRP 16 -5.659 29.842 21.746 113 2HB TRP 16 2HB TRP 16 -3.966 29.492 21.402 114 HD1 TRP 16 HD1 TRP 16 -2.860 32.464 21.795 115 HE1 TRP 16 HE1 TRP 16 -2.675 33.422 24.181 116 HE3 TRP 16 HE3 TRP 16 -6.157 29.415 24.228 117 HZ2 TRP 16 HZ2 TRP 16 -3.778 32.957 26.779 118 HZ3 TRP 16 HZ3 TRP 16 -6.570 29.695 26.656 119 HH2 TRP 16 HH2 TRP 16 -5.387 31.459 27.933 120 H ASP 17 H ASP 17 -2.326 30.483 19.939 121 HA ASP 17 HA ASP 17 -2.658 29.745 17.091 122 1HB ASP 17 1HB ASP 17 -0.313 29.946 19.005 123 2HB ASP 17 2HB ASP 17 -0.148 29.504 17.305 124 H MET 18 H MET 18 -1.179 27.657 16.570 125 HA MET 18 HA MET 18 -2.523 25.396 17.823 126 1HB MET 18 1HB MET 18 -0.459 25.879 15.691 127 2HB MET 18 2HB MET 18 -0.726 24.236 16.276 128 1HG MET 18 1HG MET 18 -2.994 24.241 15.584 129 2HG MET 18 2HG MET 18 -3.022 25.995 15.409 130 1HE MET 18 1HE MET 18 -2.819 22.730 13.823 131 2HE MET 18 2HE MET 18 -4.046 23.853 13.239 132 3HE MET 18 3HE MET 18 -2.827 23.235 12.127 133 H ASP 19 H ASP 19 0.904 26.457 17.672 134 HA ASP 19 HA ASP 19 1.337 25.136 20.320 135 1HB ASP 19 1HB ASP 19 2.157 24.189 17.781 136 2HB ASP 19 2HB ASP 19 3.608 24.821 18.558 137 H ASP 20 H ASP 20 1.411 27.950 18.690 138 HA ASP 20 HA ASP 20 4.045 29.007 19.189 139 1HB ASP 20 1HB ASP 20 1.994 29.781 17.716 140 2HB ASP 20 2HB ASP 20 1.534 30.658 19.175 141 H ASP 21 H ASP 21 0.953 29.514 20.938 142 HA ASP 21 HA ASP 21 2.298 30.791 23.198 143 1HB ASP 21 1HB ASP 21 -0.068 31.160 22.225 144 2HB ASP 21 2HB ASP 21 -0.513 29.687 23.086 145 H ASP 22 H ASP 22 2.014 27.593 22.233 146 HA ASP 22 HA ASP 22 2.224 25.535 23.377 147 1HB ASP 22 1HB ASP 22 3.576 27.444 25.315 148 2HB ASP 22 2HB ASP 22 3.836 25.700 25.243 149 H LEU 23 H LEU 23 -0.302 26.525 23.733 150 HA LEU 23 HA LEU 23 -1.310 27.167 26.246 151 1HB LEU 23 1HB LEU 23 -2.395 25.139 24.262 152 2HB LEU 23 2HB LEU 23 -3.344 26.004 25.470 153 HG LEU 23 HG LEU 23 -1.916 27.156 23.063 154 1HD1 LEU 23 1HD1 LEU 23 -4.789 27.198 24.036 155 2HD1 LEU 23 2HD1 LEU 23 -4.199 28.055 22.613 156 3HD1 LEU 23 3HD1 LEU 23 -4.167 26.292 22.656 157 1HD2 LEU 23 1HD2 LEU 23 -3.191 28.622 25.395 158 2HD2 LEU 23 2HD2 LEU 23 -1.465 28.580 25.028 159 3HD2 LEU 23 3HD2 LEU 23 -2.584 29.375 23.920 160 H PHE 24 H PHE 24 -0.373 23.936 25.068 161 HA PHE 24 HA PHE 24 -1.236 22.288 27.144 162 1HB PHE 24 1HB PHE 24 1.268 22.369 25.452 163 2HB PHE 24 2HB PHE 24 0.961 21.041 26.572 164 HD1 PHE 24 HD1 PHE 24 -1.212 19.729 26.346 165 HD2 PHE 24 HD2 PHE 24 0.185 22.466 23.343 166 HE1 PHE 24 HE1 PHE 24 -2.718 18.673 24.682 167 HE2 PHE 24 HE2 PHE 24 -1.321 21.408 21.680 168 HZ PHE 24 HZ PHE 24 -2.772 19.512 22.349 169 H GLU 25 H GLU 25 1.237 24.736 27.197 170 HA GLU 25 HA GLU 25 2.071 23.874 29.948 171 1HB GLU 25 1HB GLU 25 3.430 24.774 27.566 172 2HB GLU 25 2HB GLU 25 3.768 25.888 28.891 173 1HG GLU 25 1HG GLU 25 3.990 22.881 29.175 174 2HG GLU 25 2HG GLU 25 5.352 23.902 28.707 175 H LYS 26 H LYS 26 1.182 26.721 27.980 176 HA LYS 26 HA LYS 26 1.083 28.496 30.305 177 1HB LYS 26 1HB LYS 26 1.066 28.623 27.435 178 2HB LYS 26 2HB LYS 26 -0.317 29.531 28.047 179 1HG LYS 26 1HG LYS 26 1.552 31.052 27.950 180 2HG LYS 26 2HG LYS 26 1.267 30.681 29.650 181 1HD LYS 26 1HD LYS 26 3.276 29.654 29.869 182 2HD LYS 26 2HD LYS 26 3.091 28.787 28.345 183 1HE LYS 26 1HE LYS 26 3.602 31.739 28.222 184 2HE LYS 26 2HE LYS 26 4.961 30.664 28.599 185 1HZ LYS 26 1HZ LYS 26 3.066 30.261 26.341 186 2HZ LYS 26 2HZ LYS 26 4.601 30.970 26.178 187 3HZ LYS 26 3HZ LYS 26 4.460 29.349 26.668 188 H ALA 27 H ALA 27 -1.230 26.657 28.359 189 HA ALA 27 HA ALA 27 -3.640 27.816 29.384 190 1HB ALA 27 1HB ALA 27 -4.662 25.902 28.361 191 2HB ALA 27 2HB ALA 27 -3.239 26.264 27.384 192 3HB ALA 27 3HB ALA 27 -3.196 24.939 28.547 193 H ALA 28 H ALA 28 -1.295 25.740 30.827 194 HA ALA 28 HA ALA 28 -2.992 24.384 32.733 195 1HB ALA 28 1HB ALA 28 -0.252 24.531 31.939 196 2HB ALA 28 3HB ALA 28 -0.317 24.776 33.684 197 3HB ALA 28 2HB ALA 28 -1.014 23.321 32.973 198 H ASP 29 H ASP 29 -1.346 27.496 32.667 199 HA ASP 29 HA ASP 29 -1.630 28.089 35.489 200 1HB ASP 29 1HB ASP 29 -0.192 29.080 33.452 201 2HB ASP 29 2HB ASP 29 -1.535 30.221 33.399 202 H ALA 30 H ALA 30 -3.696 28.453 32.670 203 HA ALA 30 HA ALA 30 -5.566 30.315 33.901 204 1HB ALA 30 1HB ALA 30 -6.791 28.888 31.800 205 2HB ALA 30 3HB ALA 30 -5.081 28.973 31.380 206 3HB ALA 30 2HB ALA 30 -5.989 30.454 31.685 207 H GLY 31 H GLY 31 -5.712 26.831 33.130 208 1HA GLY 31 2HA GLY 31 -7.464 26.428 35.485 209 2HA GLY 31 1HA GLY 31 -6.679 25.149 34.559 210 H LEU 32 H LEU 32 -7.476 25.908 31.962 211 HA LEU 32 HA LEU 32 -10.167 26.551 31.513 212 1HB LEU 32 1HB LEU 32 -7.988 25.078 30.185 213 2HB LEU 32 2HB LEU 32 -9.598 24.599 29.649 214 HG LEU 32 HG LEU 32 -9.425 27.482 29.902 215 1HD1 LEU 32 1HD1 LEU 32 -7.172 26.058 28.596 216 2HD1 LEU 32 2HD1 LEU 32 -7.892 27.371 27.664 217 3HD1 LEU 32 3HD1 LEU 32 -7.236 27.687 29.269 218 1HD2 LEU 32 1HD2 LEU 32 -10.290 25.398 27.987 219 2HD2 LEU 32 2HD2 LEU 32 -11.090 26.899 28.455 220 3HD2 LEU 32 3HD2 LEU 32 -9.798 26.926 27.254 221 H ASP 33 H ASP 33 -11.698 24.656 30.527 222 HA ASP 33 HA ASP 33 -12.640 23.124 32.766 223 1HB ASP 33 1HB ASP 33 -13.224 23.525 29.891 224 2HB ASP 33 2HB ASP 33 -13.763 21.980 30.547 225 H GLY 34 H GLY 34 -12.297 20.948 33.291 226 1HA GLY 34 2HA GLY 34 -11.102 18.925 33.383 227 2HA GLY 34 1HA GLY 34 -9.889 19.681 32.349 228 H GLU 35 H GLU 35 -13.260 19.487 31.409 229 HA GLU 35 HA GLU 35 -13.035 17.045 29.860 230 1HB GLU 35 1HB GLU 35 -14.955 19.384 29.964 231 2HB GLU 35 2HB GLU 35 -15.213 18.001 28.900 232 1HG GLU 35 1HG GLU 35 -15.705 16.585 30.639 233 2HG GLU 35 2HG GLU 35 -14.597 17.392 31.747 234 H ASP 36 H ASP 36 -11.649 20.055 29.403 235 HA ASP 36 HA ASP 36 -11.641 19.726 26.417 236 1HB ASP 36 1HB ASP 36 -11.901 22.048 28.280 237 2HB ASP 36 2HB ASP 36 -11.035 22.317 26.767 238 H TYR 37 H TYR 37 -9.705 21.065 29.131 239 HA TYR 37 HA TYR 37 -7.253 20.113 27.687 240 1HB TYR 37 1HB TYR 37 -7.376 22.487 27.425 241 2HB TYR 37 2HB TYR 37 -7.871 22.715 29.103 242 HD1 TYR 37 HD1 TYR 37 -5.127 20.731 27.482 243 HD2 TYR 37 HD2 TYR 37 -6.183 23.799 30.296 244 HE1 TYR 37 HE1 TYR 37 -2.748 20.934 28.154 245 HE2 TYR 37 HE2 TYR 37 -3.805 24.001 30.969 246 HH TYR 37 HH TYR 37 -1.623 21.927 30.649 247 H GLY 38 H GLY 38 -5.636 19.230 29.030 248 1HA GLY 38 2HA GLY 38 -6.519 18.314 31.660 249 2HA GLY 38 1HA GLY 38 -5.185 19.466 31.728 250 H THR 39 H THR 39 -3.938 17.621 32.633 251 HA THR 39 HA THR 39 -2.464 16.223 30.515 252 HB THR 39 HB THR 39 -2.217 15.927 33.517 253 HG1 THR 39 HG1 THR 39 -0.688 17.726 33.195 254 1HG2 THR 39 1HG2 THR 39 -0.882 14.594 31.658 255 2HG2 THR 39 2HG2 THR 39 0.051 16.088 31.571 256 3HG2 THR 39 3HG2 THR 39 -0.058 15.203 33.093 257 H MET 40 H MET 40 -3.137 14.258 29.749 258 HA MET 40 HA MET 40 -5.057 12.643 31.321 259 1HB MET 40 1HB MET 40 -4.723 13.264 28.659 260 2HB MET 40 2HB MET 40 -4.030 11.644 28.743 261 1HG MET 40 1HG MET 40 -6.590 12.031 30.194 262 2HG MET 40 2HG MET 40 -6.685 12.107 28.434 263 1HE MET 40 1HE MET 40 -6.676 10.677 27.011 264 2HE MET 40 2HE MET 40 -5.260 9.633 26.928 265 3HE MET 40 3HE MET 40 -6.864 8.934 27.191 266 H GLU 41 H GLU 41 -4.619 10.217 31.405 267 HA GLU 41 HA GLU 41 -1.703 9.573 31.571 268 1HB GLU 41 1HB GLU 41 -2.268 8.463 33.784 269 2HB GLU 41 2HB GLU 41 -2.389 10.222 33.795 270 1HG GLU 41 1HG GLU 41 -4.868 9.908 33.233 271 2HG GLU 41 2HG GLU 41 -4.636 8.205 33.630 272 H VAL 42 H VAL 42 -1.375 7.733 30.391 273 HA VAL 42 HA VAL 42 -3.483 5.608 30.439 274 HB VAL 42 HB VAL 42 -2.025 6.701 28.008 275 1HG1 VAL 42 1HG1 VAL 42 -3.021 4.172 28.367 276 2HG1 VAL 42 2HG1 VAL 42 -4.422 5.008 27.697 277 3HG1 VAL 42 3HG1 VAL 42 -2.901 4.981 26.805 278 1HG2 VAL 42 1HG2 VAL 42 -4.607 7.342 29.311 279 2HG2 VAL 42 2HG2 VAL 42 -3.611 8.328 28.240 280 3HG2 VAL 42 3HG2 VAL 42 -4.683 7.101 27.566 281 H ALA 43 H ALA 43 -2.418 3.871 31.329 282 HA ALA 43 HA ALA 43 0.480 3.557 31.153 283 1HB ALA 43 1HB ALA 43 -1.853 2.351 32.484 284 2HB ALA 43 3HB ALA 43 -0.589 1.186 32.084 285 3HB ALA 43 2HB ALA 43 -0.214 2.584 33.092 286 H GLU 44 H GLU 44 1.593 1.928 29.961 287 HA GLU 44 HA GLU 44 0.811 1.344 27.343 288 1HB GLU 44 1HB GLU 44 3.064 1.052 28.394 289 2HB GLU 44 2HB GLU 44 2.462 -0.390 29.211 290 1HG GLU 44 1HG GLU 44 1.768 -1.134 26.788 291 2HG GLU 44 2HG GLU 44 2.970 0.054 26.281 292 H GLY 45 H GLY 45 -1.006 0.275 26.692 293 1HA GLY 45 2HA GLY 45 -1.849 -2.127 28.266 294 2HA GLY 45 1HA GLY 45 -1.954 -2.055 26.506 295 H GLU 46 H GLU 46 -2.678 0.990 27.520 296 HA GLU 46 HA GLU 46 -5.614 0.376 27.653 297 1HB GLU 46 1HB GLU 46 -3.850 1.668 29.497 298 2HB GLU 46 2HB GLU 46 -4.958 2.886 28.864 299 1HG GLU 46 1HG GLU 46 -6.669 2.037 30.063 300 2HG GLU 46 2HG GLU 46 -6.372 0.419 29.427 301 H TYR 47 H TYR 47 -6.798 1.394 26.077 302 HA TYR 47 HA TYR 47 -5.503 3.026 24.059 303 1HB TYR 47 2HB TYR 47 -8.466 2.666 24.571 304 2HB TYR 47 1HB TYR 47 -7.663 2.938 23.024 305 HD1 TYR 47 HD1 TYR 47 -5.449 1.111 22.966 306 HD2 TYR 47 HD2 TYR 47 -9.373 0.516 24.609 307 HE1 TYR 47 HE1 TYR 47 -5.200 -1.338 22.674 308 HE2 TYR 47 HE2 TYR 47 -9.124 -1.934 24.316 309 HH TYR 47 HH TYR 47 -7.027 -3.349 22.375 310 H ILE 48 H ILE 48 -5.576 5.263 23.816 311 HA ILE 48 HA ILE 48 -5.811 6.985 26.024 312 HB ILE 48 HB ILE 48 -6.324 7.563 23.089 313 1HG1 ILE 48 1HG1 ILE 48 -3.668 8.072 24.274 314 2HG1 ILE 48 2HG1 ILE 48 -4.100 6.366 24.152 315 1HG2 ILE 48 1HG2 ILE 48 -6.721 9.297 25.089 316 2HG2 ILE 48 2HG2 ILE 48 -4.971 9.465 24.949 317 3HG2 ILE 48 3HG2 ILE 48 -6.004 9.798 23.558 318 1HD1 ILE 48 1HD1 ILE 48 -4.785 6.876 21.732 319 2HD1 ILE 48 2HD1 ILE 48 -3.944 8.413 21.932 320 3HD1 ILE 48 3HD1 ILE 48 -3.055 6.896 22.077 321 H LEU 49 H LEU 49 -8.198 6.895 23.344 322 HA LEU 49 HA LEU 49 -10.245 8.391 24.419 323 1HB LEU 49 1HB LEU 49 -10.439 7.461 22.237 324 2HB LEU 49 2HB LEU 49 -10.252 5.814 22.839 325 HG LEU 49 HG LEU 49 -12.506 7.278 24.042 326 1HD1 LEU 49 1HD1 LEU 49 -12.126 7.605 21.272 327 2HD1 LEU 49 2HD1 LEU 49 -13.342 6.338 21.430 328 3HD1 LEU 49 3HD1 LEU 49 -13.607 7.912 22.180 329 1HD2 LEU 49 1HD2 LEU 49 -11.759 4.715 23.976 330 2HD2 LEU 49 2HD2 LEU 49 -13.461 5.172 24.055 331 3HD2 LEU 49 3HD2 LEU 49 -12.740 4.722 22.510 332 H GLU 50 H GLU 50 -9.251 5.177 25.467 333 HA GLU 50 HA GLU 50 -11.630 4.642 27.059 334 1HB GLU 50 1HB GLU 50 -10.000 2.972 26.081 335 2HB GLU 50 2HB GLU 50 -8.827 3.503 27.286 336 1HG GLU 50 1HG GLU 50 -10.400 2.882 29.089 337 2HG GLU 50 2HG GLU 50 -11.568 2.346 27.882 338 H ALA 51 H ALA 51 -8.247 5.412 27.983 339 HA ALA 51 HA ALA 51 -8.779 5.882 30.744 340 1HB ALA 51 1HB ALA 51 -6.611 7.347 30.363 341 2HB ALA 51 3HB ALA 51 -6.671 6.648 28.745 342 3HB ALA 51 2HB ALA 51 -6.533 5.598 30.155 343 H ALA 52 H ALA 52 -9.052 7.950 27.907 344 HA ALA 52 HA ALA 52 -9.481 10.404 29.443 345 1HB ALA 52 1HB ALA 52 -9.228 9.501 26.657 346 2HB ALA 52 3HB ALA 52 -10.386 10.814 26.864 347 3HB ALA 52 2HB ALA 52 -8.715 11.021 27.389 348 H GLU 53 H GLU 53 -11.491 8.100 27.648 349 HA GLU 53 HA GLU 53 -13.994 9.448 27.964 350 1HB GLU 53 1HB GLU 53 -13.726 7.682 26.359 351 2HB GLU 53 2HB GLU 53 -13.161 6.560 27.596 352 1HG GLU 53 2HG GLU 53 -15.458 6.002 27.131 353 2HG GLU 53 1HG GLU 53 -15.428 6.799 28.704 354 H ALA 54 H ALA 54 -12.168 7.292 30.065 355 HA ALA 54 HA ALA 54 -14.304 6.810 31.972 356 1HB ALA 54 1HB ALA 54 -11.288 6.556 31.962 357 2HB ALA 54 3HB ALA 54 -12.259 6.103 33.362 358 3HB ALA 54 2HB ALA 54 -12.483 5.266 31.827 359 H GLN 55 H GLN 55 -12.325 9.509 31.286 360 HA GLN 55 HA GLN 55 -12.508 10.593 34.053 361 1HB GLN 55 1HB GLN 55 -11.005 11.220 31.520 362 2HB GLN 55 2HB GLN 55 -11.130 12.439 32.789 363 1HG GLN 55 1HG GLN 55 -10.352 9.676 33.609 364 2HG GLN 55 2HG GLN 55 -9.145 10.640 32.756 365 2HE2 GLN 55 2HE2 GLN 55 -8.229 10.299 35.174 366 1HE2 GLN 55 1HE2 GLN 55 -8.581 11.569 36.244 367 H GLY 56 H GLY 56 -13.919 10.925 30.872 368 1HA GLY 56 2HA GLY 56 -15.436 13.321 31.825 369 2HA GLY 56 1HA GLY 56 -16.240 11.983 31.004 370 H TYR 57 H TYR 57 -13.202 12.340 29.666 371 HA TYR 57 HA TYR 57 -13.602 14.585 27.895 372 1HB TYR 57 2HB TYR 57 -11.871 12.120 27.534 373 2HB TYR 57 1HB TYR 57 -11.597 13.717 26.840 374 HD1 TYR 57 HD1 TYR 57 -12.741 14.897 29.682 375 HD2 TYR 57 HD2 TYR 57 -9.502 12.359 28.445 376 HE1 TYR 57 HE1 TYR 57 -11.459 15.549 31.702 377 HE2 TYR 57 HE2 TYR 57 -8.220 13.014 30.464 378 HH TYR 57 HH TYR 57 -8.142 14.374 32.228 379 H ASP 58 H ASP 58 -14.685 14.653 25.945 380 HA ASP 58 HA ASP 58 -15.928 12.109 24.973 381 1HB ASP 58 1HB ASP 58 -16.687 14.978 25.153 382 2HB ASP 58 2HB ASP 58 -17.256 14.116 23.723 383 H TRP 59 H TRP 59 -15.697 11.535 22.779 384 HA TRP 59 HA TRP 59 -13.944 13.286 21.092 385 1HB TRP 59 1HB TRP 59 -13.767 10.270 21.381 386 2HB TRP 59 2HB TRP 59 -12.659 11.311 20.487 387 HD1 TRP 59 HD1 TRP 59 -13.943 10.888 24.109 388 HE1 TRP 59 HE1 TRP 59 -12.023 11.495 25.718 389 HE3 TRP 59 HE3 TRP 59 -10.379 12.301 20.737 390 HZ2 TRP 59 HZ2 TRP 59 -9.334 12.452 25.592 391 HZ3 TRP 59 HZ3 TRP 59 -8.146 13.053 21.509 392 HH2 TRP 59 HH2 TRP 59 -7.620 13.128 23.931 393 HA PRO 60 HA PRO 60 -17.111 12.490 18.129 394 1HB PRO 60 1HB PRO 60 -15.767 13.304 15.889 395 2HB PRO 60 2HB PRO 60 -16.422 14.434 17.089 396 1HG PRO 60 2HG PRO 60 -13.629 13.480 16.704 397 2HG PRO 60 1HG PRO 60 -14.218 15.084 17.158 398 1HD PRO 60 1HD PRO 60 -13.178 13.266 18.930 399 2HD PRO 60 2HD PRO 60 -14.324 14.545 19.378 400 H PHE 61 H PHE 61 -17.556 11.007 16.347 401 HA PHE 61 HA PHE 61 -15.384 9.022 15.777 402 1HB PHE 61 1HB PHE 61 -17.137 7.264 16.078 403 2HB PHE 61 2HB PHE 61 -16.852 8.183 17.556 404 HD1 PHE 61 HD1 PHE 61 -18.406 10.124 18.108 405 HD2 PHE 61 HD2 PHE 61 -19.278 7.234 15.052 406 HE1 PHE 61 HE1 PHE 61 -20.795 10.791 18.159 407 HE2 PHE 61 HE2 PHE 61 -21.666 7.900 15.103 408 HZ PHE 61 HZ PHE 61 -22.425 9.678 16.657 409 H SER 62 H SER 62 -15.082 9.443 13.591 410 HA SER 62 HA SER 62 -17.432 9.957 11.853 411 1HB SER 62 1HB SER 62 -15.575 11.417 11.540 412 2HB SER 62 2HB SER 62 -14.424 10.081 11.571 413 HG SER 62 HG SER 62 -15.024 10.977 9.445 414 H CYS 63 H CYS 63 -15.935 7.239 13.007 415 HA CYS 63 HA CYS 63 -15.525 5.667 10.623 416 1HB CYS 63 2HB CYS 63 -16.290 4.748 13.410 417 2HB CYS 63 1HB CYS 63 -15.369 3.846 12.207 418 H ARG 64 H ARG 64 -16.976 3.453 10.652 419 HA ARG 64 HA ARG 64 -19.865 4.219 10.794 420 1HB ARG 64 1HB ARG 64 -18.959 4.560 8.504 421 2HB ARG 64 2HB ARG 64 -18.425 2.879 8.479 422 1HG ARG 64 1HG ARG 64 -20.521 2.100 8.075 423 2HG ARG 64 2HG ARG 64 -21.254 3.221 9.223 424 1HD ARG 64 1HD ARG 64 -21.459 4.925 7.621 425 2HD ARG 64 2HD ARG 64 -20.172 4.250 6.602 426 HE ARG 64 HE ARG 64 -22.520 2.506 6.979 427 1HH1 ARG 64 1HH1 ARG 64 -20.503 2.600 4.654 428 2HH1 ARG 64 2HH1 ARG 64 -21.509 3.218 3.386 429 1HH2 ARG 64 1HH2 ARG 64 -24.009 4.296 5.534 430 2HH2 ARG 64 2HH2 ARG 64 -23.494 4.179 3.885 431 H ALA 65 H ALA 65 -18.881 2.707 12.788 432 HA ALA 65 HA ALA 65 -19.236 0.637 13.876 433 1HB ALA 65 1HB ALA 65 -21.108 0.858 11.680 434 2HB ALA 65 3HB ALA 65 -20.626 -0.825 11.892 435 3HB ALA 65 2HB ALA 65 -21.328 0.067 13.241 436 H GLY 66 H GLY 66 -19.057 -1.929 13.121 437 1HA GLY 66 2HA GLY 66 -17.372 -2.633 10.965 438 2HA GLY 66 1HA GLY 66 -17.509 -3.563 12.457 439 H ALA 67 H ALA 67 -15.044 -3.483 11.294 440 HA ALA 67 HA ALA 67 -13.243 -2.739 13.265 441 1HB ALA 67 1HB ALA 67 -12.431 -2.281 10.436 442 2HB ALA 67 3HB ALA 67 -13.119 -3.859 10.813 443 3HB ALA 67 2HB ALA 67 -11.681 -3.297 11.666 444 H CYS 68 H CYS 68 -13.415 -0.711 14.246 445 HA CYS 68 HA CYS 68 -14.093 1.754 13.070 446 1HB CYS 68 1HB CYS 68 -13.052 0.722 15.517 447 2HB CYS 68 2HB CYS 68 -12.063 2.112 15.069 448 H ALA 69 H ALA 69 -13.098 2.543 11.229 449 HA ALA 69 HA ALA 69 -10.438 1.961 10.384 450 1HB ALA 69 1HB ALA 69 -11.824 2.775 8.713 451 2HB ALA 69 3HB ALA 69 -12.581 3.959 9.780 452 3HB ALA 69 2HB ALA 69 -10.970 4.262 9.128 453 H ASN 70 H ASN 70 -11.168 5.359 10.826 454 HA ASN 70 HA ASN 70 -8.961 5.566 12.848 455 1HB ASN 70 1HB ASN 70 -8.664 6.155 10.243 456 2HB ASN 70 2HB ASN 70 -9.360 7.684 10.781 457 2HD2 ASN 70 2HD2 ASN 70 -7.961 9.130 11.843 458 1HD2 ASN 70 1HD2 ASN 70 -6.391 8.739 12.354 459 H CYS 71 H CYS 71 -9.132 7.504 14.209 460 HA CYS 71 HA CYS 71 -11.956 8.345 14.604 461 1HB CYS 71 1HB CYS 71 -9.873 7.560 16.257 462 2HB CYS 71 2HB CYS 71 -9.890 9.312 16.454 463 H ALA 72 H ALA 72 -10.916 10.810 16.032 464 HA ALA 72 HA ALA 72 -9.938 12.445 13.740 465 1HB ALA 72 1HB ALA 72 -12.457 13.022 15.329 466 2HB ALA 72 3HB ALA 72 -12.436 12.331 13.707 467 3HB ALA 72 2HB ALA 72 -11.836 13.967 13.976 468 H SER 73 H SER 73 -8.016 12.798 15.012 469 HA SER 73 HA SER 73 -8.405 14.767 17.225 470 1HB SER 73 2HB SER 73 -6.732 13.509 18.553 471 2HB SER 73 1HB SER 73 -8.132 12.502 18.184 472 HG SER 73 HG SER 73 -6.989 11.395 16.726 473 H ILE 74 H ILE 74 -5.916 15.467 17.832 474 HA ILE 74 HA ILE 74 -4.277 15.656 15.360 475 HB ILE 74 HB ILE 74 -5.304 18.034 16.947 476 1HG1 ILE 74 1HG1 ILE 74 -7.050 16.952 15.541 477 2HG1 ILE 74 2HG1 ILE 74 -6.621 18.556 14.952 478 1HG2 ILE 74 1HG2 ILE 74 -2.964 18.019 15.740 479 2HG2 ILE 74 2HG2 ILE 74 -3.937 18.173 14.277 480 3HG2 ILE 74 3HG2 ILE 74 -4.043 19.400 15.540 481 1HD1 ILE 74 1HD1 ILE 74 -5.242 16.096 13.873 482 2HD1 ILE 74 2HD1 ILE 74 -6.787 16.635 13.216 483 3HD1 ILE 74 3HD1 ILE 74 -5.380 17.695 13.141 484 H VAL 75 H VAL 75 -2.747 14.378 16.606 485 HA VAL 75 HA VAL 75 -1.793 14.957 19.211 486 HB VAL 75 HB VAL 75 -1.376 12.953 17.700 487 1HG1 VAL 75 1HG1 VAL 75 -0.665 14.435 15.757 488 2HG1 VAL 75 2HG1 VAL 75 0.858 14.681 16.613 489 3HG1 VAL 75 3HG1 VAL 75 0.395 13.064 16.085 490 1HG2 VAL 75 1HG2 VAL 75 0.449 14.281 19.553 491 2HG2 VAL 75 2HG2 VAL 75 0.028 12.572 19.431 492 3HG2 VAL 75 3HG2 VAL 75 1.304 13.241 18.414 493 H LYS 76 H LYS 76 -0.711 16.749 19.956 494 HA LYS 76 HA LYS 76 0.453 18.659 18.014 495 1HB LYS 76 1HB LYS 76 -1.013 18.931 20.282 496 2HB LYS 76 2HB LYS 76 0.612 19.075 20.954 497 1HG LYS 76 2HG LYS 76 0.386 21.266 20.347 498 2HG LYS 76 1HG LYS 76 0.845 20.663 18.755 499 1HD LYS 76 1HD LYS 76 -1.990 20.269 19.207 500 2HD LYS 76 2HD LYS 76 -1.558 21.963 19.442 501 1HE LYS 76 1HE LYS 76 -0.271 21.782 17.219 502 2HE LYS 76 2HE LYS 76 -1.139 20.255 16.975 503 1HZ LYS 76 1HZ LYS 76 -3.084 21.912 17.852 504 2HZ LYS 76 2HZ LYS 76 -2.136 22.970 16.921 505 3HZ LYS 76 3HZ LYS 76 -2.783 21.566 16.217 506 H GLU 77 H GLU 77 1.496 16.008 19.854 507 HA GLU 77 HA GLU 77 4.250 16.289 19.133 508 1HB GLU 77 1HB GLU 77 3.543 18.092 21.042 509 2HB GLU 77 2HB GLU 77 4.024 16.734 22.060 510 1HG GLU 77 1HG GLU 77 6.189 17.214 21.684 511 2HG GLU 77 2HG GLU 77 5.940 16.989 19.952 512 H GLY 78 H GLY 78 5.634 14.694 20.496 513 1HA GLY 78 2HA GLY 78 4.256 12.709 22.097 514 2HA GLY 78 1HA GLY 78 5.912 12.585 21.505 515 H GLU 79 H GLU 79 4.547 10.282 21.370 516 HA GLU 79 HA GLU 79 3.404 10.084 18.614 517 1HB GLU 79 1HB GLU 79 5.714 9.576 18.317 518 2HB GLU 79 2HB GLU 79 5.778 8.646 19.815 519 1HG GLU 79 1HG GLU 79 4.620 6.829 18.887 520 2HG GLU 79 2HG GLU 79 3.927 7.807 17.595 521 H ILE 80 H ILE 80 2.103 8.146 18.319 522 HA ILE 80 HA ILE 80 1.299 6.829 20.894 523 HB ILE 80 HB ILE 80 -0.356 7.598 18.467 524 1HG1 ILE 80 1HG1 ILE 80 -1.042 8.762 21.061 525 2HG1 ILE 80 2HG1 ILE 80 0.581 9.209 20.532 526 1HG2 ILE 80 1HG2 ILE 80 -1.004 5.513 19.860 527 2HG2 ILE 80 2HG2 ILE 80 -1.376 6.660 21.147 528 3HG2 ILE 80 3HG2 ILE 80 -2.242 6.744 19.613 529 1HD1 ILE 80 1HD1 ILE 80 -0.413 9.833 18.296 530 2HD1 ILE 80 2HD1 ILE 80 -2.009 9.581 19.003 531 3HD1 ILE 80 3HD1 ILE 80 -0.955 10.845 19.635 532 H ASP 81 H ASP 81 0.728 4.576 20.711 533 HA ASP 81 HA ASP 81 1.930 3.241 18.325 534 1HB ASP 81 1HB ASP 81 2.161 2.926 21.098 535 2HB ASP 81 2HB ASP 81 1.172 1.560 20.582 536 H MET 82 H MET 82 0.731 1.699 17.155 537 HA MET 82 HA MET 82 -2.106 1.233 17.960 538 1HB MET 82 1HB MET 82 -2.769 1.787 15.627 539 2HB MET 82 2HB MET 82 -2.015 3.163 16.431 540 1HG MET 82 1HG MET 82 0.094 2.734 15.320 541 2HG MET 82 2HG MET 82 -0.518 1.222 14.647 542 1HE MET 82 1HE MET 82 -2.209 0.864 13.362 543 2HE MET 82 2HE MET 82 -3.484 2.014 12.963 544 3HE MET 82 3HE MET 82 -2.221 1.665 11.786 545 H ASP 83 H ASP 83 -3.018 -0.414 16.129 546 HA ASP 83 HA ASP 83 -1.356 -2.795 16.324 547 1HB ASP 83 1HB ASP 83 -4.000 -2.020 15.106 548 2HB ASP 83 2HB ASP 83 -3.313 -3.614 14.791 549 H MET 84 H MET 84 -0.424 -3.956 14.532 550 HA MET 84 HA MET 84 0.860 -2.343 12.530 551 1HB MET 84 1HB MET 84 0.862 -5.024 13.549 552 2HB MET 84 2HB MET 84 0.780 -5.100 11.788 553 1HG MET 84 2HG MET 84 3.038 -4.826 11.899 554 2HG MET 84 1HG MET 84 2.642 -3.126 12.150 555 1HE MET 84 1HE MET 84 5.062 -4.207 12.609 556 2HE MET 84 2HE MET 84 5.405 -3.135 13.973 557 3HE MET 84 3HE MET 84 5.567 -4.879 14.158 558 H GLN 85 H GLN 85 -0.644 -1.274 11.181 559 HA GLN 85 HA GLN 85 -1.971 -2.963 9.157 560 1HB GLN 85 1HB GLN 85 -3.451 -2.664 11.258 561 2HB GLN 85 2HB GLN 85 -3.608 -0.982 10.750 562 1HG GLN 85 1HG GLN 85 -4.411 -1.782 8.518 563 2HG GLN 85 2HG GLN 85 -4.368 -3.434 9.134 564 2HE2 GLN 85 2HE2 GLN 85 -6.804 -2.044 8.273 565 1HE2 GLN 85 1HE2 GLN 85 -7.808 -1.911 9.634 566 H GLN 86 H GLN 86 -2.868 -1.577 7.382 567 HA GLN 86 HA GLN 86 -1.292 0.951 7.132 568 1HB GLN 86 1HB GLN 86 -2.657 -0.857 5.110 569 2HB GLN 86 2HB GLN 86 -1.695 0.565 4.704 570 1HG GLN 86 1HG GLN 86 0.264 -0.526 5.058 571 2HG GLN 86 2HG GLN 86 -0.332 -1.299 6.526 572 2HE2 GLN 86 2HE2 GLN 86 -1.874 -3.210 6.143 573 1HE2 GLN 86 1HE2 GLN 86 -1.612 -4.175 4.770 574 H ILE 87 H ILE 87 -2.491 2.747 7.631 575 HA ILE 87 HA ILE 87 -5.174 3.046 6.399 576 HB ILE 87 HB ILE 87 -5.240 1.963 8.744 577 1HG1 ILE 87 1HG1 ILE 87 -6.846 4.334 9.139 578 2HG1 ILE 87 2HG1 ILE 87 -6.906 3.834 7.449 579 1HG2 ILE 87 1HG2 ILE 87 -3.470 3.705 9.542 580 2HG2 ILE 87 2HG2 ILE 87 -4.850 4.791 9.705 581 3HG2 ILE 87 3HG2 ILE 87 -4.793 3.292 10.632 582 1HD1 ILE 87 1HD1 ILE 87 -7.087 1.436 8.858 583 2HD1 ILE 87 2HD1 ILE 87 -8.073 2.552 9.801 584 3HD1 ILE 87 3HD1 ILE 87 -8.428 2.290 8.093 585 H LEU 88 H LEU 88 -5.808 5.291 6.247 586 HA LEU 88 HA LEU 88 -5.347 7.588 5.921 587 1HB LEU 88 1HB LEU 88 -5.010 6.855 8.560 588 2HB LEU 88 2HB LEU 88 -3.487 7.671 8.203 589 HG LEU 88 HG LEU 88 -4.791 9.598 7.284 590 1HD1 LEU 88 1HD1 LEU 88 -6.909 7.713 7.435 591 2HD1 LEU 88 2HD1 LEU 88 -7.290 8.999 8.580 592 3HD1 LEU 88 3HD1 LEU 88 -6.996 9.386 6.885 593 1HD2 LEU 88 1HD2 LEU 88 -4.894 8.672 10.109 594 2HD2 LEU 88 2HD2 LEU 88 -4.194 10.143 9.432 595 3HD2 LEU 88 3HD2 LEU 88 -5.935 10.034 9.691 596 H SER 89 H SER 89 -3.213 9.170 6.068 597 HA SER 89 HA SER 89 -0.977 7.675 4.734 598 1HB SER 89 1HB SER 89 -2.503 9.040 3.251 599 2HB SER 89 2HB SER 89 -1.983 10.474 4.136 600 HG SER 89 HG SER 89 -0.636 10.317 2.417 601 H ASP 90 H ASP 90 1.154 8.563 5.122 602 HA ASP 90 HA ASP 90 1.711 9.468 7.740 603 1HB ASP 90 1HB ASP 90 3.188 9.634 5.104 604 2HB ASP 90 2HB ASP 90 3.932 10.114 6.629 605 H GLU 91 H GLU 91 1.270 11.323 4.743 606 HA GLU 91 HA GLU 91 1.999 13.898 5.667 607 1HB GLU 91 1HB GLU 91 0.512 12.641 3.493 608 2HB GLU 91 2HB GLU 91 -0.167 14.211 3.921 609 1HG GLU 91 1HG GLU 91 2.503 14.776 3.967 610 2HG GLU 91 2HG GLU 91 2.444 13.553 2.697 611 H GLU 92 H GLU 92 -1.010 12.074 6.061 612 HA GLU 92 HA GLU 92 -2.546 14.275 7.170 613 1HB GLU 92 1HB GLU 92 -2.759 11.319 6.814 614 2HB GLU 92 2HB GLU 92 -3.815 12.059 8.017 615 1HG GLU 92 1HG GLU 92 -3.952 13.778 5.811 616 2HG GLU 92 2HG GLU 92 -3.987 12.158 5.115 617 H VAL 93 H VAL 93 -0.498 11.717 8.532 618 HA VAL 93 HA VAL 93 -1.231 12.323 11.302 619 HB VAL 93 HB VAL 93 0.940 10.675 9.969 620 1HG1 VAL 93 1HG1 VAL 93 1.250 11.608 12.442 621 2HG1 VAL 93 2HG1 VAL 93 0.129 10.302 12.827 622 3HG1 VAL 93 3HG1 VAL 93 1.668 9.941 12.044 623 1HG2 VAL 93 1HG2 VAL 93 -1.434 9.948 9.656 624 2HG2 VAL 93 2HG2 VAL 93 -0.480 8.787 10.579 625 3HG2 VAL 93 3HG2 VAL 93 -1.604 9.863 11.409 626 H GLU 94 H GLU 94 1.243 13.337 9.020 627 HA GLU 94 HA GLU 94 2.867 14.638 11.122 628 1HB GLU 94 1HB GLU 94 3.305 13.511 8.611 629 2HB GLU 94 2HB GLU 94 3.461 15.244 8.322 630 1HG GLU 94 1HG GLU 94 5.425 15.340 9.433 631 2HG GLU 94 2HG GLU 94 4.773 14.433 10.798 632 H GLU 95 H GLU 95 0.764 15.570 8.393 633 HA GLU 95 HA GLU 95 1.085 18.441 9.024 634 1HB GLU 95 1HB GLU 95 0.709 17.003 6.739 635 2HB GLU 95 2HB GLU 95 -0.951 17.488 7.087 636 1HG GLU 95 1HG GLU 95 0.015 19.859 7.430 637 2HG GLU 95 2HG GLU 95 1.460 19.249 6.624 638 H LYS 96 H LYS 96 -1.594 16.054 8.916 639 HA LYS 96 HA LYS 96 -3.436 17.921 10.241 640 1HB LYS 96 1HB LYS 96 -3.580 15.677 8.578 641 2HB LYS 96 2HB LYS 96 -4.209 15.108 10.124 642 1HG LYS 96 2HG LYS 96 -6.023 16.049 8.748 643 2HG LYS 96 1HG LYS 96 -5.767 17.033 10.190 644 1HD LYS 96 1HD LYS 96 -4.544 18.687 8.942 645 2HD LYS 96 2HD LYS 96 -4.475 17.647 7.519 646 1HE LYS 96 1HE LYS 96 -6.473 18.448 6.808 647 2HE LYS 96 2HE LYS 96 -7.231 17.993 8.348 648 1HZ LYS 96 1HZ LYS 96 -6.108 19.996 9.317 649 2HZ LYS 96 2HZ LYS 96 -5.704 20.469 7.737 650 3HZ LYS 96 3HZ LYS 96 -7.334 20.351 8.196 651 H ASP 97 H ASP 97 -1.230 15.385 11.175 652 HA ASP 97 HA ASP 97 -0.600 14.631 13.329 653 1HB ASP 97 2HB ASP 97 -2.463 16.759 14.393 654 2HB ASP 97 1HB ASP 97 -0.951 16.179 15.090 655 H VAL 98 H VAL 98 -3.319 13.924 11.929 656 HA VAL 98 HA VAL 98 -5.060 13.259 14.187 657 HB VAL 98 HB VAL 98 -6.450 12.289 12.406 658 1HG1 VAL 98 1HG1 VAL 98 -5.183 14.966 12.115 659 2HG1 VAL 98 2HG1 VAL 98 -6.133 14.390 10.746 660 3HG1 VAL 98 3HG1 VAL 98 -6.880 14.543 12.335 661 1HG2 VAL 98 1HG2 VAL 98 -4.405 11.309 11.208 662 2HG2 VAL 98 2HG2 VAL 98 -5.669 11.984 10.178 663 3HG2 VAL 98 3HG2 VAL 98 -4.197 12.905 10.488 664 H ARG 99 H ARG 99 -5.627 11.024 14.747 665 HA ARG 99 HA ARG 99 -4.165 8.741 13.763 666 1HB ARG 99 1HB ARG 99 -2.389 10.118 14.927 667 2HB ARG 99 2HB ARG 99 -3.273 9.873 16.433 668 1HG ARG 99 1HG ARG 99 -2.144 7.935 16.675 669 2HG ARG 99 2HG ARG 99 -3.056 7.315 15.298 670 1HD ARG 99 1HD ARG 99 -1.318 7.741 13.790 671 2HD ARG 99 2HD ARG 99 -0.614 9.010 14.809 672 HE ARG 99 HE ARG 99 -0.654 6.361 16.068 673 1HH1 ARG 99 1HH1 ARG 99 1.202 9.024 15.302 674 2HH1 ARG 99 2HH1 ARG 99 2.683 8.157 15.064 675 1HH2 ARG 99 1HH2 ARG 99 1.188 5.033 15.224 676 2HH2 ARG 99 2HH2 ARG 99 2.674 5.897 15.019 677 H LEU 100 H LEU 100 -5.654 7.151 14.161 678 HA LEU 100 HA LEU 100 -7.934 7.228 15.713 679 1HB LEU 100 1HB LEU 100 -7.683 4.726 15.777 680 2HB LEU 100 2HB LEU 100 -7.369 5.416 14.185 681 HG LEU 100 HG LEU 100 -4.901 5.491 15.547 682 1HD1 LEU 100 1HD1 LEU 100 -6.533 3.471 16.677 683 2HD1 LEU 100 2HD1 LEU 100 -5.389 2.649 15.616 684 3HD1 LEU 100 3HD1 LEU 100 -4.799 3.697 16.906 685 1HD2 LEU 100 1HD2 LEU 100 -5.617 4.990 13.085 686 2HD2 LEU 100 2HD2 LEU 100 -4.171 4.207 13.720 687 3HD2 LEU 100 3HD2 LEU 100 -5.688 3.311 13.621 688 H THR 101 H THR 101 -8.409 7.127 17.895 689 HA THR 101 HA THR 101 -6.131 6.596 19.778 690 HB THR 101 HB THR 101 -7.400 8.278 21.231 691 HG1 THR 101 HG1 THR 101 -8.708 9.681 19.758 692 1HG2 THR 101 1HG2 THR 101 -5.366 8.754 19.759 693 2HG2 THR 101 2HG2 THR 101 -6.500 9.407 18.576 694 3HG2 THR 101 3HG2 THR 101 -6.366 10.146 20.172 695 H CYS 102 H CYS 102 -9.203 5.617 18.731 696 HA CYS 102 HA CYS 102 -10.445 4.803 21.182 697 1HB CYS 102 1HB CYS 102 -10.604 4.073 18.269 698 2HB CYS 102 2HB CYS 102 -11.525 3.139 19.449 699 H ILE 103 H ILE 103 -8.343 3.018 18.895 700 HA ILE 103 HA ILE 103 -7.899 0.986 21.061 701 HB ILE 103 HB ILE 103 -7.812 0.585 18.057 702 1HG1 ILE 103 1HG1 ILE 103 -10.064 0.236 20.046 703 2HG1 ILE 103 2HG1 ILE 103 -10.072 1.188 18.561 704 1HG2 ILE 103 1HG2 ILE 103 -6.875 -0.980 20.161 705 2HG2 ILE 103 2HG2 ILE 103 -8.449 -1.682 19.788 706 3HG2 ILE 103 3HG2 ILE 103 -7.223 -1.547 18.528 707 1HD1 ILE 103 1HD1 ILE 103 -9.450 -1.215 17.517 708 2HD1 ILE 103 2HD1 ILE 103 -10.355 -1.755 18.932 709 3HD1 ILE 103 3HD1 ILE 103 -11.118 -0.692 17.749 710 H GLY 104 H GLY 104 -6.255 3.260 20.953 711 1HA GLY 104 2HA GLY 104 -4.059 3.631 19.516 712 2HA GLY 104 1HA GLY 104 -3.686 2.019 20.123 713 H SER 105 H SER 105 -1.957 2.613 21.461 714 HA SER 105 HA SER 105 -2.674 4.354 23.798 715 1HB SER 105 1HB SER 105 -0.827 2.877 24.870 716 2HB SER 105 2HB SER 105 -2.385 2.121 24.538 717 HG SER 105 HG SER 105 -1.043 0.747 23.603 718 HA PRO 106 HA PRO 106 0.697 6.954 22.698 719 1HB PRO 106 1HB PRO 106 1.471 7.841 25.171 720 2HB PRO 106 2HB PRO 106 -0.013 8.388 24.366 721 1HG PRO 106 1HG PRO 106 0.344 6.352 26.515 722 2HG PRO 106 2HG PRO 106 -0.928 7.565 26.314 723 1HD PRO 106 1HD PRO 106 -1.240 4.928 25.680 724 2HD PRO 106 2HD PRO 106 -2.135 6.239 24.884 725 H ALA 107 H ALA 107 3.019 6.946 22.639 726 HA ALA 107 HA ALA 107 4.286 4.577 23.979 727 1HB ALA 107 1HB ALA 107 4.083 5.454 21.265 728 2HB ALA 107 3HB ALA 107 5.777 5.565 21.742 729 3HB ALA 107 2HB ALA 107 4.921 4.029 21.883 730 H ALA 108 H ALA 108 4.390 8.021 23.519 731 HA ALA 108 HA ALA 108 7.150 8.222 24.612 732 1HB ALA 108 1HB ALA 108 6.816 9.661 22.788 733 2HB ALA 108 3HB ALA 108 6.511 10.732 24.156 734 3HB ALA 108 2HB ALA 108 5.159 10.032 23.265 735 H ASP 109 H ASP 109 7.483 9.791 26.439 736 HA ASP 109 HA ASP 109 5.768 9.225 28.678 737 1HB ASP 109 1HB ASP 109 8.123 10.944 28.028 738 2HB ASP 109 2HB ASP 109 7.233 11.319 29.504 739 H GLU 110 H GLU 110 6.523 12.501 27.469 740 HA GLU 110 HA GLU 110 3.773 13.349 28.235 741 1HB GLU 110 1HB GLU 110 6.280 14.389 28.660 742 2HB GLU 110 2HB GLU 110 5.745 15.320 27.262 743 1HG GLU 110 1HG GLU 110 3.554 15.116 29.095 744 2HG GLU 110 2HG GLU 110 4.975 15.651 29.990 745 H VAL 111 H VAL 111 2.477 12.768 26.451 746 HA VAL 111 HA VAL 111 3.353 13.709 23.750 747 HB VAL 111 HB VAL 111 1.234 11.743 24.680 748 1HG1 VAL 111 1HG1 VAL 111 0.632 12.864 22.555 749 2HG1 VAL 111 2HG1 VAL 111 2.199 12.416 21.883 750 3HG1 VAL 111 3HG1 VAL 111 1.026 11.165 22.296 751 1HG2 VAL 111 1HG2 VAL 111 4.010 11.470 24.493 752 2HG2 VAL 111 2HG2 VAL 111 2.837 10.156 24.565 753 3HG2 VAL 111 3HG2 VAL 111 3.400 10.750 23.003 754 H LYS 112 H LYS 112 2.209 15.346 22.755 755 HA LYS 112 HA LYS 112 -0.103 16.504 24.250 756 1HB LYS 112 2HB LYS 112 1.655 17.624 22.042 757 2HB LYS 112 1HB LYS 112 0.478 18.533 22.989 758 1HG LYS 112 1HG LYS 112 1.756 17.972 25.054 759 2HG LYS 112 2HG LYS 112 2.961 17.156 24.057 760 1HD LYS 112 1HD LYS 112 3.603 19.187 22.992 761 2HD LYS 112 2HD LYS 112 2.181 20.039 23.593 762 1HE LYS 112 1HE LYS 112 3.190 20.514 25.580 763 2HE LYS 112 2HE LYS 112 3.837 18.869 25.733 764 1HZ LYS 112 1HZ LYS 112 4.874 20.731 23.684 765 2HZ LYS 112 2HZ LYS 112 5.477 20.781 25.271 766 3HZ LYS 112 3HZ LYS 112 5.624 19.361 24.350 767 H ILE 113 H ILE 113 -2.105 16.741 23.235 768 HA ILE 113 HA ILE 113 -2.434 16.264 20.355 769 HB ILE 113 HB ILE 113 -2.220 13.995 21.281 770 1HG1 ILE 113 1HG1 ILE 113 -5.146 14.065 20.933 771 2HG1 ILE 113 2HG1 ILE 113 -4.250 14.905 19.668 772 1HG2 ILE 113 1HG2 ILE 113 -3.210 14.970 23.567 773 2HG2 ILE 113 2HG2 ILE 113 -4.711 14.338 22.892 774 3HG2 ILE 113 3HG2 ILE 113 -3.342 13.260 23.160 775 1HD1 ILE 113 1HD1 ILE 113 -2.738 12.714 19.781 776 2HD1 ILE 113 2HD1 ILE 113 -4.227 12.005 20.409 777 3HD1 ILE 113 3HD1 ILE 113 -4.211 12.754 18.812 778 H VAL 114 H VAL 114 -4.605 16.790 19.653 779 HA VAL 114 HA VAL 114 -6.186 18.305 21.705 780 HB VAL 114 HB VAL 114 -6.081 18.633 18.689 781 1HG1 VAL 114 1HG1 VAL 114 -7.971 19.536 20.420 782 2HG1 VAL 114 2HG1 VAL 114 -6.806 20.856 20.512 783 3HG1 VAL 114 3HG1 VAL 114 -7.503 20.403 18.958 784 1HG2 VAL 114 1HG2 VAL 114 -4.121 19.299 20.663 785 2HG2 VAL 114 2HG2 VAL 114 -4.109 19.684 18.942 786 3HG2 VAL 114 3HG2 VAL 114 -4.853 20.797 20.090 787 H TYR 115 H TYR 115 -8.251 17.547 22.084 788 HA TYR 115 HA TYR 115 -9.225 15.281 20.445 789 1HB TYR 115 1HB TYR 115 -10.257 14.651 22.391 790 2HB TYR 115 2HB TYR 115 -9.129 15.787 23.123 791 HD1 TYR 115 HD1 TYR 115 -9.875 18.055 23.792 792 HD2 TYR 115 HD2 TYR 115 -12.612 15.159 22.185 793 HE1 TYR 115 HE1 TYR 115 -11.783 19.414 24.592 794 HE2 TYR 115 HE2 TYR 115 -14.523 16.522 22.989 795 HH TYR 115 HH TYR 115 -15.139 18.468 23.894 796 H ASN 116 H ASN 116 -11.640 15.301 19.908 797 HA ASN 116 HA ASN 116 -13.518 16.322 18.890 798 1HB ASN 116 1HB ASN 116 -12.516 18.121 20.894 799 2HB ASN 116 2HB ASN 116 -13.034 19.063 19.502 800 2HD2 ASN 116 2HD2 ASN 116 -15.053 19.835 20.296 801 1HD2 ASN 116 1HD2 ASN 116 -16.330 18.812 20.750 802 H ALA 117 H ALA 117 -11.202 15.879 17.321 803 HA ALA 117 HA ALA 117 -10.282 18.188 15.891 804 1HB ALA 117 1HB ALA 117 -9.243 15.912 15.962 805 2HB ALA 117 3HB ALA 117 -9.465 16.502 14.315 806 3HB ALA 117 2HB ALA 117 -10.577 15.307 14.981 807 H LYS 118 H LYS 118 -13.304 16.554 15.866 808 HA LYS 118 HA LYS 118 -14.213 16.769 13.214 809 1HB LYS 118 1HB LYS 118 -16.435 16.861 14.275 810 2HB LYS 118 2HB LYS 118 -15.391 15.738 15.146 811 1HG LYS 118 1HG LYS 118 -15.394 17.016 17.022 812 2HG LYS 118 2HG LYS 118 -15.207 18.512 16.107 813 1HD LYS 118 1HD LYS 118 -17.819 16.991 16.183 814 2HD LYS 118 2HD LYS 118 -17.417 18.225 17.377 815 1HE LYS 118 1HE LYS 118 -16.872 19.689 15.239 816 2HE LYS 118 2HE LYS 118 -17.960 18.540 14.438 817 H HIS 119 H HIS 119 -13.432 19.298 15.457 818 HA HIS 119 HA HIS 119 -15.084 21.386 14.297 819 1HB HIS 119 1HB HIS 119 -12.650 21.256 16.089 820 2HB HIS 119 2HB HIS 119 -13.373 22.794 15.618 821 HD1 HIS 119 HD1 HIS 119 -16.225 22.616 15.951 822 HD2 HIS 119 HD2 HIS 119 -13.733 20.430 18.482 823 HE1 HIS 119 HE1 HIS 119 -17.596 22.070 18.010 824 H LEU 120 H LEU 120 -12.030 19.933 13.466 825 HA LEU 120 HA LEU 120 -10.551 21.852 12.155 826 1HB LEU 120 1HB LEU 120 -11.069 18.999 11.948 827 2HB LEU 120 2HB LEU 120 -10.681 19.684 10.370 828 HG LEU 120 HG LEU 120 -8.980 20.633 12.596 829 1HD1 LEU 120 1HD1 LEU 120 -9.533 17.988 12.740 830 2HD1 LEU 120 2HD1 LEU 120 -8.224 17.954 11.557 831 3HD1 LEU 120 3HD1 LEU 120 -7.956 18.659 13.151 832 1HD2 LEU 120 1HD2 LEU 120 -8.914 20.705 9.853 833 2HD2 LEU 120 2HD2 LEU 120 -7.509 20.953 10.890 834 3HD2 LEU 120 3HD2 LEU 120 -7.825 19.361 10.197 835 H ASP 121 H ASP 121 -10.926 23.268 10.490 836 HA ASP 121 HA ASP 121 -13.508 23.510 9.240 837 1HB ASP 121 1HB ASP 121 -11.001 24.891 9.434 838 2HB ASP 121 2HB ASP 121 -11.450 24.800 7.730 839 H TYR 122 H TYR 122 -10.385 22.198 8.124 840 HA TYR 122 HA TYR 122 -11.267 21.582 5.442 841 1HB TYR 122 1HB TYR 122 -8.907 21.865 6.456 842 2HB TYR 122 2HB TYR 122 -9.086 20.203 7.016 843 HD1 TYR 122 HD1 TYR 122 -9.552 18.375 5.322 844 HD2 TYR 122 HD2 TYR 122 -8.387 22.352 4.187 845 HE1 TYR 122 HE1 TYR 122 -8.917 17.547 3.071 846 HE2 TYR 122 HE2 TYR 122 -7.752 21.523 1.937 847 HH TYR 122 HH TYR 122 -6.983 19.079 1.031 848 H LEU 123 H LEU 123 -12.100 20.232 8.423 849 HA LEU 123 HA LEU 123 -12.898 17.655 7.106 850 1HB LEU 123 1HB LEU 123 -11.073 18.130 9.204 851 2HB LEU 123 2HB LEU 123 -12.520 17.480 9.976 852 HG LEU 123 HG LEU 123 -12.464 15.701 8.081 853 1HD1 LEU 123 1HD1 LEU 123 -10.727 16.933 6.758 854 2HD1 LEU 123 2HD1 LEU 123 -9.569 16.608 8.049 855 3HD1 LEU 123 3HD1 LEU 123 -10.263 15.272 7.131 856 1HD2 LEU 123 1HD2 LEU 123 -10.393 15.809 10.295 857 2HD2 LEU 123 2HD2 LEU 123 -12.017 15.125 10.397 858 3HD2 LEU 123 3HD2 LEU 123 -10.793 14.349 9.390 859 H GLN 124 H GLN 124 -13.923 20.458 8.731 860 HA GLN 124 HA GLN 124 -16.035 19.619 10.400 861 1HB GLN 124 1HB GLN 124 -15.210 21.990 8.870 862 2HB GLN 124 2HB GLN 124 -16.951 21.906 9.139 863 1HG GLN 124 1HG GLN 124 -16.538 21.558 11.564 864 2HG GLN 124 2HG GLN 124 -14.805 21.709 11.275 865 2HE2 GLN 124 2HE2 GLN 124 -14.925 23.657 12.749 866 1HE2 GLN 124 1HE2 GLN 124 -15.457 25.137 12.112 867 H ASN 125 H ASN 125 -15.788 19.534 6.917 868 HA ASN 125 HA ASN 125 -18.360 19.615 5.938 869 1HB ASN 125 1HB ASN 125 -15.861 18.219 5.352 870 2HB ASN 125 2HB ASN 125 -17.269 17.316 4.789 871 2HD2 ASN 125 2HD2 ASN 125 -18.903 18.687 3.476 872 1HD2 ASN 125 1HD2 ASN 125 -18.269 19.895 2.465 873 H ARG 126 H ARG 126 -16.983 17.052 7.965 874 HA ARG 126 HA ARG 126 -18.796 14.969 7.700 875 1HB ARG 126 1HB ARG 126 -16.790 15.202 9.230 876 2HB ARG 126 2HB ARG 126 -17.820 16.118 10.331 877 1HG ARG 126 1HG ARG 126 -18.135 14.004 11.206 878 2HG ARG 126 2HG ARG 126 -19.415 13.998 9.994 879 1HD ARG 126 1HD ARG 126 -16.991 13.208 8.692 880 2HD ARG 126 2HD ARG 126 -17.164 12.238 10.168 881 HE ARG 126 HE ARG 126 -19.649 12.000 9.298 882 1HH1 ARG 126 1HH1 ARG 126 -18.187 13.313 6.754 883 2HH1 ARG 126 2HH1 ARG 126 -18.208 11.927 5.715 884 1HH2 ARG 126 1HH2 ARG 126 -19.073 9.716 8.241 885 2HH2 ARG 126 2HH2 ARG 126 -18.710 9.891 6.557 886 H VAL 127 H VAL 127 -19.294 18.027 9.459 887 HA VAL 127 HA VAL 127 -21.785 17.395 10.693 888 HB VAL 127 HB VAL 127 -21.997 19.875 10.770 889 1HG1 VAL 127 1HG1 VAL 127 -20.255 18.414 12.120 890 2HG1 VAL 127 2HG1 VAL 127 -19.077 19.299 11.151 891 3HG1 VAL 127 3HG1 VAL 127 -20.189 20.173 12.205 892 1HG2 VAL 127 1HG2 VAL 127 -20.298 19.619 8.428 893 2HG2 VAL 127 2HG2 VAL 127 -21.205 21.020 8.997 894 3HG2 VAL 127 3HG2 VAL 127 -19.581 20.712 9.613 895 H ILE 128 H ILE 128 -23.952 18.169 9.999 896 HA ILE 128 HA ILE 128 -24.243 18.310 7.015 897 HB ILE 128 HB ILE 128 -25.937 16.841 9.061 898 1HG1 ILE 128 1HG1 ILE 128 -24.813 15.213 6.968 899 2HG1 ILE 128 2HG1 ILE 128 -23.523 16.113 7.766 900 1HG2 ILE 128 1HG2 ILE 128 -26.354 17.616 6.247 901 2HG2 ILE 128 2HG2 ILE 128 -26.631 15.905 6.575 902 3HG2 ILE 128 3HG2 ILE 128 -27.533 17.131 7.466 903 1HD1 ILE 128 1HD1 ILE 128 -25.634 14.733 9.407 904 2HD1 ILE 128 2HD1 ILE 128 -24.272 13.813 8.769 905 3HD1 ILE 128 3HD1 ILE 128 -23.986 15.168 9.861 No H/Q in entry = 905 Start of MODEL 9 1 H2 PRO 1 H2 PRO 1 3.775 8.051 31.051 2 H3 PRO 1 H3 PRO 1 4.728 7.203 29.923 3 HA PRO 1 HA PRO 1 3.124 7.488 28.427 4 1HB PRO 1 1HB PRO 1 0.953 6.102 29.348 5 2HB PRO 1 2HB PRO 1 2.422 5.309 28.747 6 1HG PRO 1 1HG PRO 1 1.551 5.825 31.550 7 2HG PRO 1 2HG PRO 1 2.339 4.399 30.861 8 1HD PRO 1 1HD PRO 1 3.662 6.295 32.302 9 2HD PRO 1 2HD PRO 1 4.433 5.318 31.036 10 H THR 2 H THR 2 3.170 9.843 29.587 11 HA THR 2 HA THR 2 0.448 10.468 30.656 12 HB THR 2 HB THR 2 3.104 11.935 30.656 13 HG1 THR 2 HG1 THR 2 1.552 10.856 32.767 14 1HG2 THR 2 1HG2 THR 2 1.162 13.485 30.505 15 2HG2 THR 2 2HG2 THR 2 0.482 12.733 31.949 16 3HG2 THR 2 3HG2 THR 2 2.007 13.614 32.048 17 H VAL 3 H VAL 3 -0.927 11.041 28.999 18 HA VAL 3 HA VAL 3 0.164 12.487 26.637 19 HB VAL 3 HB VAL 3 -2.601 11.362 27.176 20 1HG1 VAL 3 1HG1 VAL 3 -1.110 12.145 24.654 21 2HG1 VAL 3 2HG1 VAL 3 -2.650 11.286 24.664 22 3HG1 VAL 3 3HG1 VAL 3 -2.549 12.922 25.314 23 1HG2 VAL 3 1HG2 VAL 3 -0.244 9.909 27.066 24 2HG2 VAL 3 2HG2 VAL 3 -1.850 9.276 26.706 25 3HG2 VAL 3 3HG2 VAL 3 -0.818 9.855 25.399 26 H GLU 4 H GLU 4 -1.242 14.329 25.812 27 HA GLU 4 HA GLU 4 -2.558 15.834 28.044 28 1HB GLU 4 1HB GLU 4 -0.060 16.358 27.239 29 2HB GLU 4 2HB GLU 4 -0.917 17.259 25.989 30 1HG GLU 4 2HG GLU 4 -0.819 18.905 27.599 31 2HG GLU 4 1HG GLU 4 -2.307 18.112 28.118 32 H TYR 5 H TYR 5 -4.662 16.064 27.364 33 HA TYR 5 HA TYR 5 -5.218 16.356 24.452 34 1HB TYR 5 1HB TYR 5 -7.498 15.788 25.122 35 2HB TYR 5 2HB TYR 5 -6.378 14.650 25.871 36 HD1 TYR 5 HD1 TYR 5 -8.607 17.530 26.448 37 HD2 TYR 5 HD2 TYR 5 -5.945 14.694 28.268 38 HE1 TYR 5 HE1 TYR 5 -9.458 18.171 28.689 39 HE2 TYR 5 HE2 TYR 5 -6.795 15.335 30.509 40 HH TYR 5 HH TYR 5 -9.352 17.798 30.869 41 H LEU 6 H LEU 6 -5.741 18.332 23.625 42 HA LEU 6 HA LEU 6 -6.581 20.498 25.525 43 1HB LEU 6 1HB LEU 6 -4.299 20.854 24.839 44 2HB LEU 6 2HB LEU 6 -4.685 20.490 23.160 45 HG LEU 6 HG LEU 6 -5.747 22.546 22.821 46 1HD1 LEU 6 1HD1 LEU 6 -6.261 22.398 25.761 47 2HD1 LEU 6 2HD1 LEU 6 -6.177 23.998 25.023 48 3HD1 LEU 6 3HD1 LEU 6 -7.362 22.826 24.451 49 1HD2 LEU 6 1HD2 LEU 6 -3.210 22.578 23.749 50 2HD2 LEU 6 2HD2 LEU 6 -4.057 24.029 23.214 51 3HD2 LEU 6 3HD2 LEU 6 -3.974 23.638 24.932 52 H ASN 7 H ASN 7 -8.706 20.911 25.065 53 HA ASN 7 HA ASN 7 -10.264 20.165 22.908 54 1HB ASN 7 1HB ASN 7 -10.833 21.396 25.084 55 2HB ASN 7 2HB ASN 7 -10.439 22.883 24.223 56 2HD2 ASN 7 2HD2 ASN 7 -12.290 23.845 23.387 57 1HD2 ASN 7 1HD2 ASN 7 -13.641 23.013 22.783 58 H TYR 8 H TYR 8 -10.030 20.529 20.742 59 HA TYR 8 HA TYR 8 -8.225 22.403 19.575 60 1HB TYR 8 1HB TYR 8 -8.940 20.525 18.304 61 2HB TYR 8 2HB TYR 8 -10.642 20.855 18.624 62 HD1 TYR 8 HD1 TYR 8 -11.763 22.810 17.544 63 HD2 TYR 8 HD2 TYR 8 -7.764 21.622 16.516 64 HE1 TYR 8 HE1 TYR 8 -11.892 24.166 15.472 65 HE2 TYR 8 HE2 TYR 8 -7.895 22.979 14.444 66 HH TYR 8 HH TYR 8 -10.115 25.330 13.923 67 H GLU 9 H GLU 9 -11.691 22.618 20.337 68 HA GLU 9 HA GLU 9 -12.288 25.063 19.013 69 1HB GLU 9 1HB GLU 9 -13.446 23.234 20.891 70 2HB GLU 9 2HB GLU 9 -13.681 24.870 21.505 71 1HG GLU 9 1HG GLU 9 -14.344 25.344 18.968 72 2HG GLU 9 2HG GLU 9 -14.715 23.620 18.993 73 H THR 10 H THR 10 -10.802 24.409 22.169 74 HA THR 10 HA THR 10 -10.879 27.038 23.256 75 HB THR 10 HB THR 10 -9.017 24.668 23.499 76 HG1 THR 10 HG1 THR 10 -10.598 25.787 25.520 77 1HG2 THR 10 1HG2 THR 10 -7.732 26.745 23.950 78 2HG2 THR 10 2HG2 THR 10 -8.946 27.217 25.140 79 3HG2 THR 10 3HG2 THR 10 -7.959 25.779 25.408 80 H LEU 11 H LEU 11 -8.834 25.587 20.796 81 HA LEU 11 HA LEU 11 -6.736 27.564 20.804 82 1HB LEU 11 1HB LEU 11 -6.931 25.178 19.759 83 2HB LEU 11 2HB LEU 11 -7.695 26.008 18.403 84 HG LEU 11 HG LEU 11 -4.927 26.540 19.524 85 1HD1 LEU 11 1HD1 LEU 11 -6.003 24.887 17.375 86 2HD1 LEU 11 2HD1 LEU 11 -4.830 26.059 16.775 87 3HD1 LEU 11 3HD1 LEU 11 -4.372 24.925 18.045 88 1HD2 LEU 11 1HD2 LEU 11 -6.579 27.977 17.435 89 2HD2 LEU 11 2HD2 LEU 11 -5.820 28.662 18.873 90 3HD2 LEU 11 3HD2 LEU 11 -4.823 28.122 17.520 91 H ASP 12 H ASP 12 -9.611 27.132 18.707 92 HA ASP 12 HA ASP 12 -9.242 29.717 17.398 93 1HB ASP 12 1HB ASP 12 -10.310 27.595 16.468 94 2HB ASP 12 2HB ASP 12 -11.695 27.936 17.505 95 H ASP 13 H ASP 13 -11.397 28.403 19.922 96 HA ASP 13 HA ASP 13 -13.159 30.522 20.341 97 1HB ASP 13 1HB ASP 13 -12.943 28.270 21.521 98 2HB ASP 13 2HB ASP 13 -11.693 29.010 22.522 99 H GLN 14 H GLN 14 -10.114 30.136 22.195 100 HA GLN 14 HA GLN 14 -10.106 32.890 23.092 101 1HB GLN 14 1HB GLN 14 -9.078 30.858 24.199 102 2HB GLN 14 2HB GLN 14 -7.835 30.884 22.949 103 1HG GLN 14 2HG GLN 14 -6.707 32.307 24.298 104 2HG GLN 14 1HG GLN 14 -7.908 33.516 23.843 105 2HE2 GLN 14 2HE2 GLN 14 -6.845 31.382 26.425 106 1HE2 GLN 14 1HE2 GLN 14 -7.957 31.921 27.589 107 H GLY 15 H GLY 15 -9.327 31.452 20.117 108 1HA GLY 15 2HA GLY 15 -8.370 33.928 18.994 109 2HA GLY 15 1HA GLY 15 -8.393 32.370 18.167 110 H TRP 16 H TRP 16 -6.779 30.967 20.115 111 HA TRP 16 HA TRP 16 -4.223 32.423 20.311 112 1HB TRP 16 1HB TRP 16 -5.541 30.035 21.393 113 2HB TRP 16 2HB TRP 16 -3.839 29.764 21.023 114 HD1 TRP 16 HD1 TRP 16 -2.886 29.825 23.431 115 HE1 TRP 16 HE1 TRP 16 -2.695 31.658 25.234 116 HE3 TRP 16 HE3 TRP 16 -5.931 33.389 21.401 117 HZ2 TRP 16 HZ2 TRP 16 -3.701 34.286 25.747 118 HZ3 TRP 16 HZ3 TRP 16 -6.296 35.544 22.564 119 HH2 TRP 16 HH2 TRP 16 -5.186 35.997 24.734 120 H ASP 17 H ASP 17 -2.217 31.009 19.594 121 HA ASP 17 HA ASP 17 -2.556 30.452 16.713 122 1HB ASP 17 1HB ASP 17 -0.513 31.328 18.553 123 2HB ASP 17 2HB ASP 17 0.084 29.951 17.626 124 H MET 18 H MET 18 -1.096 28.460 15.968 125 HA MET 18 HA MET 18 -2.317 26.064 17.071 126 1HB MET 18 1HB MET 18 -0.322 26.782 14.939 127 2HB MET 18 2HB MET 18 -0.530 25.091 15.393 128 1HG MET 18 1HG MET 18 -2.988 25.334 14.991 129 2HG MET 18 2HG MET 18 -2.696 26.976 14.418 130 1HE MET 18 1HE MET 18 -3.657 24.014 13.738 131 2HE MET 18 2HE MET 18 -3.914 24.435 12.040 132 3HE MET 18 3HE MET 18 -2.773 23.163 12.474 133 H ASP 19 H ASP 19 1.014 27.382 17.059 134 HA ASP 19 HA ASP 19 1.583 25.706 19.470 135 1HB ASP 19 1HB ASP 19 2.966 25.815 16.803 136 2HB ASP 19 2HB ASP 19 3.898 25.425 18.248 137 H ASP 20 H ASP 20 1.363 28.748 18.343 138 HA ASP 20 HA ASP 20 3.920 29.876 19.188 139 1HB ASP 20 1HB ASP 20 1.819 30.640 17.606 140 2HB ASP 20 2HB ASP 20 1.505 31.580 19.065 141 H ASP 21 H ASP 21 0.591 30.184 20.506 142 HA ASP 21 HA ASP 21 1.568 31.232 23.048 143 1HB ASP 21 1HB ASP 21 -0.981 30.639 21.671 144 2HB ASP 21 2HB ASP 21 -1.045 30.521 23.429 145 H ASP 22 H ASP 22 1.356 28.118 21.733 146 HA ASP 22 HA ASP 22 1.488 25.965 22.698 147 1HB ASP 22 2HB ASP 22 2.553 27.508 25.076 148 2HB ASP 22 1HB ASP 22 3.020 25.894 24.538 149 H LEU 23 H LEU 23 -1.066 26.932 22.892 150 HA LEU 23 HA LEU 23 -2.405 27.377 25.246 151 1HB LEU 23 1HB LEU 23 -2.944 25.530 22.922 152 2HB LEU 23 2HB LEU 23 -4.127 25.715 24.215 153 HG LEU 23 HG LEU 23 -2.942 28.082 22.751 154 1HD1 LEU 23 1HD1 LEU 23 -4.229 26.367 21.292 155 2HD1 LEU 23 2HD1 LEU 23 -5.655 26.892 22.186 156 3HD1 LEU 23 3HD1 LEU 23 -4.743 28.053 21.222 157 1HD2 LEU 23 1HD2 LEU 23 -5.283 27.618 24.605 158 2HD2 LEU 23 2HD2 LEU 23 -3.941 28.745 24.804 159 3HD2 LEU 23 3HD2 LEU 23 -5.176 29.052 23.584 160 H PHE 24 H PHE 24 -1.158 24.205 24.183 161 HA PHE 24 HA PHE 24 -2.099 22.487 26.153 162 1HB PHE 24 1HB PHE 24 0.478 22.808 24.644 163 2HB PHE 24 2HB PHE 24 0.379 21.561 25.886 164 HD1 PHE 24 HD1 PHE 24 -1.546 19.882 25.770 165 HD2 PHE 24 HD2 PHE 24 -0.492 22.476 22.514 166 HE1 PHE 24 HE1 PHE 24 -2.768 18.404 24.199 167 HE2 PHE 24 HE2 PHE 24 -1.713 20.998 20.940 168 HZ PHE 24 HZ PHE 24 -2.849 18.961 21.784 169 H GLU 25 H GLU 25 0.273 25.048 26.447 170 HA GLU 25 HA GLU 25 0.897 24.250 29.257 171 1HB GLU 25 1HB GLU 25 2.120 25.984 27.130 172 2HB GLU 25 2HB GLU 25 2.546 26.270 28.818 173 1HG GLU 25 1HG GLU 25 2.647 23.490 27.657 174 2HG GLU 25 2HG GLU 25 4.000 24.602 27.448 175 H LYS 26 H LYS 26 -0.132 27.130 27.384 176 HA LYS 26 HA LYS 26 -0.616 28.834 29.624 177 1HB LYS 26 1HB LYS 26 -0.441 29.365 27.133 178 2HB LYS 26 2HB LYS 26 -2.103 28.793 26.987 179 1HG LYS 26 2HG LYS 26 -2.745 30.886 27.547 180 2HG LYS 26 1HG LYS 26 -2.173 30.524 29.175 181 1HD LYS 26 1HD LYS 26 0.018 31.422 28.671 182 2HD LYS 26 2HD LYS 26 -0.401 31.611 26.967 183 1HE LYS 26 1HE LYS 26 -2.281 33.173 27.747 184 2HE LYS 26 2HE LYS 26 -1.489 33.162 29.334 185 1HZ LYS 26 1HZ LYS 26 -0.089 33.745 26.775 186 2HZ LYS 26 2HZ LYS 26 -0.682 34.949 27.816 187 3HZ LYS 26 3HZ LYS 26 0.543 33.897 28.344 188 H ALA 27 H ALA 27 -2.546 26.293 28.150 189 HA ALA 27 HA ALA 27 -5.083 27.009 29.321 190 1HB ALA 27 1HB ALA 27 -4.323 25.357 27.396 191 2HB ALA 27 2HB ALA 27 -4.254 24.188 28.714 192 3HB ALA 27 3HB ALA 27 -5.771 25.006 28.340 193 H ALA 28 H ALA 28 -2.217 25.900 30.748 194 HA ALA 28 HA ALA 28 -3.557 24.369 32.905 195 1HB ALA 28 1HB ALA 28 -0.830 24.808 31.830 196 2HB ALA 28 3HB ALA 28 -0.921 24.554 33.572 197 3HB ALA 28 2HB ALA 28 -1.559 23.336 32.468 198 H ASP 29 H ASP 29 -2.104 27.513 32.317 199 HA ASP 29 HA ASP 29 -2.239 28.225 35.199 200 1HB ASP 29 1HB ASP 29 -0.939 29.207 32.711 201 2HB ASP 29 2HB ASP 29 -1.355 30.436 33.904 202 H ALA 30 H ALA 30 -4.116 28.493 32.328 203 HA ALA 30 HA ALA 30 -5.536 30.942 33.156 204 1HB ALA 30 1HB ALA 30 -5.929 28.924 30.921 205 2HB ALA 30 3HB ALA 30 -6.812 30.443 31.064 206 3HB ALA 30 2HB ALA 30 -5.070 30.459 30.798 207 H GLY 31 H GLY 31 -5.753 27.579 33.786 208 1HA GLY 31 2HA GLY 31 -8.080 27.898 35.451 209 2HA GLY 31 1HA GLY 31 -7.329 26.359 35.030 210 H LEU 32 H LEU 32 -7.585 26.393 32.253 211 HA LEU 32 HA LEU 32 -10.196 27.116 31.299 212 1HB LEU 32 1HB LEU 32 -7.774 25.937 30.381 213 2HB LEU 32 2HB LEU 32 -9.080 24.837 29.941 214 HG LEU 32 HG LEU 32 -9.734 27.664 29.478 215 1HD1 LEU 32 1HD1 LEU 32 -7.112 26.950 28.856 216 2HD1 LEU 32 2HD1 LEU 32 -7.978 26.736 27.335 217 3HD1 LEU 32 3HD1 LEU 32 -8.012 28.296 28.157 218 1HD2 LEU 32 1HD2 LEU 32 -11.071 25.739 28.676 219 2HD2 LEU 32 2HD2 LEU 32 -10.500 26.727 27.331 220 3HD2 LEU 32 3HD2 LEU 32 -9.701 25.200 27.705 221 H ASP 33 H ASP 33 -11.710 25.274 30.433 222 HA ASP 33 HA ASP 33 -12.762 23.803 32.661 223 1HB ASP 33 1HB ASP 33 -13.841 24.674 30.469 224 2HB ASP 33 2HB ASP 33 -13.230 23.189 29.740 225 H GLY 34 H GLY 34 -11.893 21.962 33.520 226 1HA GLY 34 2HA GLY 34 -10.964 19.798 33.600 227 2HA GLY 34 1HA GLY 34 -9.706 20.521 32.599 228 H GLU 35 H GLU 35 -13.058 20.223 31.566 229 HA GLU 35 HA GLU 35 -12.731 17.754 30.092 230 1HB GLU 35 1HB GLU 35 -14.698 20.043 30.139 231 2HB GLU 35 2HB GLU 35 -14.883 18.710 29.000 232 1HG GLU 35 1HG GLU 35 -14.335 17.849 31.762 233 2HG GLU 35 2HG GLU 35 -15.860 18.716 31.573 234 H ASP 36 H ASP 36 -11.613 20.927 29.515 235 HA ASP 36 HA ASP 36 -11.560 20.537 26.556 236 1HB ASP 36 1HB ASP 36 -11.151 22.861 28.449 237 2HB ASP 36 2HB ASP 36 -10.747 22.980 26.737 238 H TYR 37 H TYR 37 -9.378 21.352 29.277 239 HA TYR 37 HA TYR 37 -7.123 20.204 27.666 240 1HB TYR 37 1HB TYR 37 -6.841 22.552 27.555 241 2HB TYR 37 2HB TYR 37 -7.378 22.780 29.219 242 HD1 TYR 37 HD1 TYR 37 -4.686 21.058 27.250 243 HD2 TYR 37 HD2 TYR 37 -5.783 23.029 30.906 244 HE1 TYR 37 HE1 TYR 37 -2.335 20.919 28.031 245 HE2 TYR 37 HE2 TYR 37 -3.433 22.891 31.687 246 HH TYR 37 HH TYR 37 -1.182 22.676 30.705 247 H GLY 38 H GLY 38 -5.634 18.982 28.876 248 1HA GLY 38 2HA GLY 38 -6.570 17.919 31.405 249 2HA GLY 38 1HA GLY 38 -5.174 18.977 31.622 250 H THR 39 H THR 39 -4.227 16.824 32.377 251 HA THR 39 HA THR 39 -2.694 15.646 30.152 252 HB THR 39 HB THR 39 -2.606 14.905 33.079 253 HG1 THR 39 HG1 THR 39 -1.036 16.678 33.151 254 1HG2 THR 39 1HG2 THR 39 -0.506 15.110 30.904 255 2HG2 THR 39 2HG2 THR 39 -0.205 14.616 32.571 256 3HG2 THR 39 3HG2 THR 39 -1.210 13.616 31.522 257 H MET 40 H MET 40 -3.208 13.696 29.224 258 HA MET 40 HA MET 40 -5.463 12.131 30.356 259 1HB MET 40 1HB MET 40 -4.430 12.824 27.783 260 2HB MET 40 2HB MET 40 -4.377 11.066 27.929 261 1HG MET 40 1HG MET 40 -6.713 10.936 28.388 262 2HG MET 40 2HG MET 40 -6.827 12.671 28.678 263 1HE MET 40 1HE MET 40 -6.720 9.797 26.639 264 2HE MET 40 2HE MET 40 -7.258 10.245 25.023 265 3HE MET 40 3HE MET 40 -5.542 10.297 25.417 266 H GLU 41 H GLU 41 -4.302 11.131 32.151 267 HA GLU 41 HA GLU 41 -1.838 9.686 31.860 268 1HB GLU 41 1HB GLU 41 -3.573 10.453 33.872 269 2HB GLU 41 2HB GLU 41 -3.765 8.700 33.852 270 1HG GLU 41 2HG GLU 41 -1.927 8.846 35.241 271 2HG GLU 41 1HG GLU 41 -1.096 8.794 33.687 272 H VAL 42 H VAL 42 -1.589 7.905 30.567 273 HA VAL 42 HA VAL 42 -3.918 6.036 30.268 274 HB VAL 42 HB VAL 42 -1.612 6.784 28.445 275 1HG1 VAL 42 1HG1 VAL 42 -3.594 4.532 28.354 276 2HG1 VAL 42 2HG1 VAL 42 -3.074 5.279 26.844 277 3HG1 VAL 42 3HG1 VAL 42 -1.886 4.532 27.913 278 1HG2 VAL 42 1HG2 VAL 42 -4.580 7.300 28.494 279 2HG2 VAL 42 2HG2 VAL 42 -3.263 8.451 28.269 280 3HG2 VAL 42 3HG2 VAL 42 -3.690 7.335 26.972 281 H ALA 43 H ALA 43 -3.600 4.077 31.238 282 HA ALA 43 HA ALA 43 -1.026 3.321 32.367 283 1HB ALA 43 1HB ALA 43 -3.824 2.547 32.445 284 2HB ALA 43 3HB ALA 43 -2.790 1.123 32.332 285 3HB ALA 43 2HB ALA 43 -2.566 2.271 33.650 286 H GLU 44 H GLU 44 0.591 2.491 31.102 287 HA GLU 44 HA GLU 44 0.585 1.707 28.465 288 1HB GLU 44 1HB GLU 44 2.507 0.221 29.157 289 2HB GLU 44 2HB GLU 44 2.587 1.848 29.831 290 1HG GLU 44 1HG GLU 44 2.741 0.885 31.867 291 2HG GLU 44 2HG GLU 44 1.056 0.399 31.674 292 H GLY 45 H GLY 45 -0.770 0.298 27.433 293 1HA GLY 45 2HA GLY 45 -1.397 -2.284 28.806 294 2HA GLY 45 1HA GLY 45 -1.219 -2.128 27.059 295 H GLU 46 H GLU 46 -2.711 0.642 27.838 296 HA GLU 46 HA GLU 46 -5.447 -0.571 27.591 297 1HB GLU 46 1HB GLU 46 -4.245 1.308 29.481 298 2HB GLU 46 2HB GLU 46 -5.703 1.962 28.734 299 1HG GLU 46 1HG GLU 46 -6.303 -0.726 29.321 300 2HG GLU 46 2HG GLU 46 -5.460 -0.110 30.743 301 H TYR 47 H TYR 47 -6.930 0.636 26.244 302 HA TYR 47 HA TYR 47 -5.664 2.020 24.009 303 1HB TYR 47 2HB TYR 47 -8.603 1.757 24.699 304 2HB TYR 47 1HB TYR 47 -7.893 1.958 23.098 305 HD1 TYR 47 HD1 TYR 47 -5.540 0.079 23.423 306 HD2 TYR 47 HD2 TYR 47 -9.694 -0.355 24.430 307 HE1 TYR 47 HE1 TYR 47 -5.336 -2.383 23.203 308 HE2 TYR 47 HE2 TYR 47 -9.490 -2.816 24.211 309 HH TYR 47 HH TYR 47 -6.718 -4.445 24.278 310 H ILE 48 H ILE 48 -5.766 4.239 23.547 311 HA ILE 48 HA ILE 48 -5.775 6.149 25.601 312 HB ILE 48 HB ILE 48 -6.456 6.332 22.654 313 1HG1 ILE 48 1HG1 ILE 48 -3.939 7.473 23.461 314 2HG1 ILE 48 2HG1 ILE 48 -4.056 5.827 24.081 315 1HG2 ILE 48 1HG2 ILE 48 -5.847 8.513 24.671 316 2HG2 ILE 48 2HG2 ILE 48 -5.825 8.753 22.924 317 3HG2 ILE 48 3HG2 ILE 48 -7.330 8.320 23.734 318 1HD1 ILE 48 1HD1 ILE 48 -5.086 5.813 21.423 319 2HD1 ILE 48 2HD1 ILE 48 -3.553 6.682 21.390 320 3HD1 ILE 48 3HD1 ILE 48 -3.619 5.037 22.019 321 H LEU 49 H LEU 49 -8.414 5.903 23.188 322 HA LEU 49 HA LEU 49 -10.335 7.497 24.346 323 1HB LEU 49 1HB LEU 49 -10.708 6.386 22.256 324 2HB LEU 49 2HB LEU 49 -10.550 4.794 22.999 325 HG LEU 49 HG LEU 49 -12.583 5.338 24.394 326 1HD1 LEU 49 1HD1 LEU 49 -12.175 7.892 23.060 327 2HD1 LEU 49 2HD1 LEU 49 -13.809 7.283 22.797 328 3HD1 LEU 49 3HD1 LEU 49 -13.204 7.506 24.439 329 1HD2 LEU 49 1HD2 LEU 49 -12.812 5.332 21.372 330 2HD2 LEU 49 2HD2 LEU 49 -12.860 3.936 22.448 331 3HD2 LEU 49 3HD2 LEU 49 -14.186 5.098 22.453 332 H GLU 50 H GLU 50 -9.319 4.309 25.483 333 HA GLU 50 HA GLU 50 -11.513 3.966 27.366 334 1HB GLU 50 1HB GLU 50 -9.625 2.379 26.219 335 2HB GLU 50 2HB GLU 50 -8.894 2.636 27.802 336 1HG GLU 50 1HG GLU 50 -11.644 1.509 27.209 337 2HG GLU 50 2HG GLU 50 -10.289 0.679 27.977 338 H ALA 51 H ALA 51 -8.025 4.684 27.828 339 HA ALA 51 HA ALA 51 -8.127 5.239 30.601 340 1HB ALA 51 1HB ALA 51 -6.143 6.853 29.693 341 2HB ALA 51 3HB ALA 51 -6.385 5.836 28.273 342 3HB ALA 51 2HB ALA 51 -5.970 5.102 29.823 343 H ALA 52 H ALA 52 -8.753 7.329 27.818 344 HA ALA 52 HA ALA 52 -9.067 9.757 29.405 345 1HB ALA 52 1HB ALA 52 -9.147 8.856 26.611 346 2HB ALA 52 3HB ALA 52 -10.317 10.129 26.960 347 3HB ALA 52 2HB ALA 52 -8.603 10.397 27.278 348 H GLU 53 H GLU 53 -11.124 7.108 28.437 349 HA GLU 53 HA GLU 53 -13.672 8.428 28.687 350 1HB GLU 53 1HB GLU 53 -12.545 5.782 28.276 351 2HB GLU 53 2HB GLU 53 -13.938 5.710 29.356 352 1HG GLU 53 1HG GLU 53 -14.093 7.343 26.836 353 2HG GLU 53 2HG GLU 53 -14.312 5.594 26.757 354 H ALA 54 H ALA 54 -11.623 6.634 30.951 355 HA ALA 54 HA ALA 54 -13.486 6.788 33.178 356 1HB ALA 54 1HB ALA 54 -10.544 6.161 32.836 357 2HB ALA 54 3HB ALA 54 -11.345 6.088 34.406 358 3HB ALA 54 2HB ALA 54 -11.868 5.026 33.099 359 H GLN 55 H GLN 55 -11.570 9.118 31.670 360 HA GLN 55 HA GLN 55 -11.058 10.655 34.171 361 1HB GLN 55 1HB GLN 55 -10.033 10.533 31.384 362 2HB GLN 55 2HB GLN 55 -10.043 12.131 32.129 363 1HG GLN 55 1HG GLN 55 -7.914 10.836 32.514 364 2HG GLN 55 2HG GLN 55 -8.725 11.336 33.999 365 2HE2 GLN 55 2HE2 GLN 55 -7.398 8.642 32.396 366 1HE2 GLN 55 1HE2 GLN 55 -8.117 7.423 33.333 367 H GLY 56 H GLY 56 -13.090 10.625 31.310 368 1HA GLY 56 2HA GLY 56 -14.436 13.088 32.336 369 2HA GLY 56 1HA GLY 56 -15.260 11.804 31.450 370 H TYR 57 H TYR 57 -12.863 11.622 29.593 371 HA TYR 57 HA TYR 57 -13.005 14.222 28.161 372 1HB TYR 57 2HB TYR 57 -11.432 11.674 27.648 373 2HB TYR 57 1HB TYR 57 -11.170 13.225 26.850 374 HD1 TYR 57 HD1 TYR 57 -11.740 14.925 29.386 375 HD2 TYR 57 HD2 TYR 57 -9.235 11.520 28.645 376 HE1 TYR 57 HE1 TYR 57 -10.243 15.619 31.239 377 HE2 TYR 57 HE2 TYR 57 -7.741 12.207 30.489 378 HH TYR 57 HH TYR 57 -8.397 15.168 32.376 379 H ASP 58 H ASP 58 -14.644 14.440 26.679 380 HA ASP 58 HA ASP 58 -15.891 12.030 25.485 381 1HB ASP 58 1HB ASP 58 -17.564 13.655 24.738 382 2HB ASP 58 2HB ASP 58 -17.194 13.948 26.437 383 H TRP 59 H TRP 59 -16.188 11.960 23.089 384 HA TRP 59 HA TRP 59 -14.127 13.512 21.576 385 1HB TRP 59 1HB TRP 59 -14.603 10.515 21.585 386 2HB TRP 59 2HB TRP 59 -13.526 11.345 20.460 387 HD1 TRP 59 HD1 TRP 59 -13.810 10.201 24.051 388 HE1 TRP 59 HE1 TRP 59 -11.575 10.619 25.262 389 HE3 TRP 59 HE3 TRP 59 -11.381 12.946 20.497 390 HZ2 TRP 59 HZ2 TRP 59 -9.082 11.940 24.786 391 HZ3 TRP 59 HZ3 TRP 59 -9.079 13.771 20.902 392 HH2 TRP 59 HH2 TRP 59 -7.928 13.270 23.041 393 HA PRO 60 HA PRO 60 -17.270 13.962 18.568 394 1HB PRO 60 1HB PRO 60 -15.786 14.044 16.268 395 2HB PRO 60 2HB PRO 60 -15.833 15.372 17.441 396 1HG PRO 60 1HG PRO 60 -13.763 13.269 17.032 397 2HG PRO 60 2HG PRO 60 -13.566 14.980 17.441 398 1HD PRO 60 1HD PRO 60 -13.372 12.941 19.256 399 2HD PRO 60 2HD PRO 60 -13.837 14.603 19.677 400 H PHE 61 H PHE 61 -18.534 12.723 17.114 401 HA PHE 61 HA PHE 61 -19.278 10.783 15.989 402 1HB PHE 61 1HB PHE 61 -16.398 11.070 15.541 403 2HB PHE 61 2HB PHE 61 -16.933 9.394 15.423 404 HD1 PHE 61 HD1 PHE 61 -19.578 9.486 14.326 405 HD2 PHE 61 HD2 PHE 61 -16.211 11.988 13.402 406 HE1 PHE 61 HE1 PHE 61 -20.537 9.948 12.086 407 HE2 PHE 61 HE2 PHE 61 -17.169 12.450 11.161 408 HZ PHE 61 HZ PHE 61 -19.332 11.430 10.504 409 H SER 62 H SER 62 -19.141 8.285 16.202 410 HA SER 62 HA SER 62 -18.122 7.419 18.870 411 1HB SER 62 1HB SER 62 -20.881 7.915 18.036 412 2HB SER 62 2HB SER 62 -20.654 6.271 18.633 413 HG SER 62 HG SER 62 -21.122 7.700 20.331 414 H CYS 63 H CYS 63 -19.164 4.868 18.903 415 HA CYS 63 HA CYS 63 -18.708 3.593 16.269 416 1HB CYS 63 1HB CYS 63 -16.856 3.480 18.644 417 2HB CYS 63 2HB CYS 63 -16.908 2.152 17.485 418 H ARG 64 H ARG 64 -21.097 3.332 17.272 419 HA ARG 64 HA ARG 64 -21.148 0.918 19.043 420 1HB ARG 64 1HB ARG 64 -23.278 2.957 18.316 421 2HB ARG 64 2HB ARG 64 -23.454 1.671 19.509 422 1HG ARG 64 1HG ARG 64 -21.567 2.636 20.802 423 2HG ARG 64 2HG ARG 64 -21.443 3.940 19.622 424 1HD ARG 64 1HD ARG 64 -23.852 4.526 20.136 425 2HD ARG 64 2HD ARG 64 -23.784 3.352 21.464 426 HE ARG 64 HE ARG 64 -22.303 5.911 21.331 427 1HH1 ARG 64 1HH1 ARG 64 -20.161 5.218 22.525 428 2HH1 ARG 64 2HH1 ARG 64 -20.484 4.581 24.102 429 1HH2 ARG 64 1HH2 ARG 64 -23.856 4.054 23.485 430 2HH2 ARG 64 2HH2 ARG 64 -22.578 3.923 24.647 431 H ALA 65 H ALA 65 -21.877 2.095 15.851 432 HA ALA 65 HA ALA 65 -23.159 -0.539 15.192 433 1HB ALA 65 1HB ALA 65 -24.608 1.554 15.190 434 2HB ALA 65 3HB ALA 65 -24.578 0.670 13.664 435 3HB ALA 65 2HB ALA 65 -23.621 2.139 13.851 436 H GLY 66 H GLY 66 -20.936 2.023 14.198 437 1HA GLY 66 2HA GLY 66 -19.747 2.094 12.063 438 2HA GLY 66 1HA GLY 66 -20.113 0.383 11.848 439 H ALA 67 H ALA 67 -17.764 0.117 11.493 440 HA ALA 67 HA ALA 67 -16.380 -0.902 13.758 441 1HB ALA 67 1HB ALA 67 -15.835 -0.222 10.919 442 2HB ALA 67 3HB ALA 67 -14.417 -0.387 11.953 443 3HB ALA 67 2HB ALA 67 -15.548 -1.730 11.786 444 H CYS 68 H CYS 68 -13.980 0.027 14.149 445 HA CYS 68 HA CYS 68 -14.359 2.754 15.224 446 1HB CYS 68 1HB CYS 68 -12.899 0.366 15.838 447 2HB CYS 68 2HB CYS 68 -11.744 1.686 15.653 448 H ALA 69 H ALA 69 -14.362 3.803 13.038 449 HA ALA 69 HA ALA 69 -11.564 4.309 12.117 450 1HB ALA 69 1HB ALA 69 -12.449 2.651 10.613 451 2HB ALA 69 3HB ALA 69 -13.987 3.503 10.484 452 3HB ALA 69 2HB ALA 69 -12.533 4.192 9.761 453 H ASN 70 H ASN 70 -13.500 5.873 13.752 454 HA ASN 70 HA ASN 70 -13.910 8.200 11.901 455 1HB ASN 70 1HB ASN 70 -15.452 7.304 14.359 456 2HB ASN 70 2HB ASN 70 -15.826 8.732 13.395 457 2HD2 ASN 70 2HD2 ASN 70 -17.415 6.153 13.824 458 1HD2 ASN 70 1HD2 ASN 70 -17.733 5.585 12.257 459 H CYS 71 H CYS 71 -14.694 9.329 14.837 460 HA CYS 71 HA CYS 71 -13.592 10.701 16.406 461 1HB CYS 71 1HB CYS 71 -11.673 8.447 15.831 462 2HB CYS 71 2HB CYS 71 -11.243 9.723 16.970 463 H ALA 72 H ALA 72 -11.501 12.080 16.648 464 HA ALA 72 HA ALA 72 -9.905 12.590 14.267 465 1HB ALA 72 1HB ALA 72 -12.436 13.535 14.111 466 2HB ALA 72 3HB ALA 72 -11.670 14.892 14.934 467 3HB ALA 72 2HB ALA 72 -11.068 14.359 13.364 468 H SER 73 H SER 73 -7.996 13.120 15.264 469 HA SER 73 HA SER 73 -8.066 15.163 17.445 470 1HB SER 73 1HB SER 73 -6.493 13.715 18.720 471 2HB SER 73 2HB SER 73 -8.042 12.917 18.447 472 HG SER 73 HG SER 73 -7.113 11.802 16.723 473 H ILE 74 H ILE 74 -5.661 15.805 17.944 474 HA ILE 74 HA ILE 74 -3.987 15.703 15.465 475 HB ILE 74 HB ILE 74 -4.546 18.216 17.059 476 1HG1 ILE 74 1HG1 ILE 74 -6.654 17.305 16.088 477 2HG1 ILE 74 2HG1 ILE 74 -6.171 18.825 15.336 478 1HG2 ILE 74 1HG2 ILE 74 -3.154 17.517 14.494 479 2HG2 ILE 74 2HG2 ILE 74 -3.900 19.106 14.659 480 3HG2 ILE 74 3HG2 ILE 74 -2.635 18.604 15.783 481 1HD1 ILE 74 1HD1 ILE 74 -5.069 16.382 14.072 482 2HD1 ILE 74 2HD1 ILE 74 -6.815 16.586 13.925 483 3HD1 ILE 74 3HD1 ILE 74 -5.728 17.837 13.326 484 H VAL 75 H VAL 75 -2.663 14.220 16.802 485 HA VAL 75 HA VAL 75 -1.600 14.704 19.348 486 HB VAL 75 HB VAL 75 -1.350 12.672 17.897 487 1HG1 VAL 75 1HG1 VAL 75 -0.555 14.319 15.952 488 2HG1 VAL 75 2HG1 VAL 75 1.036 13.938 16.614 489 3HG1 VAL 75 3HG1 VAL 75 -0.005 12.644 16.017 490 1HG2 VAL 75 1HG2 VAL 75 0.515 13.809 19.714 491 2HG2 VAL 75 2HG2 VAL 75 0.289 12.102 19.329 492 3HG2 VAL 75 3HG2 VAL 75 1.450 13.065 18.416 493 H LYS 76 H LYS 76 -0.583 16.551 20.044 494 HA LYS 76 HA LYS 76 0.808 18.327 18.158 495 1HB LYS 76 1HB LYS 76 -0.522 18.491 20.636 496 2HB LYS 76 2HB LYS 76 1.160 18.894 20.984 497 1HG LYS 76 1HG LYS 76 0.162 20.962 20.377 498 2HG LYS 76 2HG LYS 76 1.029 20.446 18.931 499 1HD LYS 76 1HD LYS 76 -1.675 19.352 19.027 500 2HD LYS 76 2HD LYS 76 -1.676 21.115 19.070 501 1HE LYS 76 1HE LYS 76 0.067 19.665 17.081 502 2HE LYS 76 2HE LYS 76 -1.649 19.946 16.732 503 1HZ LYS 76 1HZ LYS 76 -1.316 22.293 17.287 504 2HZ LYS 76 2HZ LYS 76 0.338 22.009 17.546 505 3HZ LYS 76 3HZ LYS 76 -0.323 21.826 15.992 506 H GLU 77 H GLU 77 1.649 15.685 20.208 507 HA GLU 77 HA GLU 77 4.386 15.625 19.367 508 1HB GLU 77 1HB GLU 77 3.865 17.643 21.166 509 2HB GLU 77 2HB GLU 77 4.395 16.339 22.230 510 1HG GLU 77 1HG GLU 77 6.537 16.586 21.573 511 2HG GLU 77 2HG GLU 77 6.079 16.487 19.872 512 H GLY 78 H GLY 78 5.513 13.798 20.326 513 1HA GLY 78 2HA GLY 78 3.857 12.127 22.165 514 2HA GLY 78 1HA GLY 78 5.609 12.001 22.005 515 H GLU 79 H GLU 79 3.758 9.806 21.692 516 HA GLU 79 HA GLU 79 3.451 9.287 18.820 517 1HB GLU 79 1HB GLU 79 5.893 9.046 19.254 518 2HB GLU 79 2HB GLU 79 5.536 7.821 20.471 519 1HG GLU 79 1HG GLU 79 5.449 6.251 18.862 520 2HG GLU 79 2HG GLU 79 4.129 7.123 18.083 521 H ILE 80 H ILE 80 2.289 7.294 18.454 522 HA ILE 80 HA ILE 80 1.367 5.853 20.909 523 HB ILE 80 HB ILE 80 -0.244 7.170 18.710 524 1HG1 ILE 80 2HG1 ILE 80 -1.289 7.586 21.314 525 2HG1 ILE 80 1HG1 ILE 80 0.456 7.812 21.429 526 1HG2 ILE 80 1HG2 ILE 80 -0.852 4.800 20.367 527 2HG2 ILE 80 2HG2 ILE 80 -2.095 6.051 20.385 528 3HG2 ILE 80 3HG2 ILE 80 -1.587 5.336 18.855 529 1HD1 ILE 80 1HD1 ILE 80 0.298 9.308 19.391 530 2HD1 ILE 80 2HD1 ILE 80 -1.457 9.212 19.542 531 3HD1 ILE 80 3HD1 ILE 80 -0.500 9.942 20.830 532 H ASP 81 H ASP 81 1.076 3.637 20.572 533 HA ASP 81 HA ASP 81 1.766 2.618 17.842 534 1HB ASP 81 1HB ASP 81 2.171 1.725 20.675 535 2HB ASP 81 2HB ASP 81 2.107 0.497 19.410 536 H MET 82 H MET 82 0.411 1.054 16.875 537 HA MET 82 HA MET 82 -1.933 0.017 18.335 538 1HB MET 82 1HB MET 82 -3.511 1.089 16.757 539 2HB MET 82 2HB MET 82 -2.572 2.300 17.630 540 1HG MET 82 1HG MET 82 -0.993 2.405 15.694 541 2HG MET 82 2HG MET 82 -2.042 1.288 14.819 542 1HE MET 82 1HE MET 82 -4.631 1.649 15.172 543 2HE MET 82 2HE MET 82 -4.831 2.775 16.512 544 3HE MET 82 3HE MET 82 -5.433 3.205 14.913 545 H ASP 83 H ASP 83 -3.413 -1.026 16.362 546 HA ASP 83 HA ASP 83 -1.858 -3.190 15.310 547 1HB ASP 83 1HB ASP 83 -4.618 -2.084 15.076 548 2HB ASP 83 2HB ASP 83 -4.116 -3.243 13.846 549 H MET 84 H MET 84 -1.387 -3.638 13.033 550 HA MET 84 HA MET 84 -0.377 -1.321 11.589 551 1HB MET 84 1HB MET 84 -0.181 -4.207 11.597 552 2HB MET 84 2HB MET 84 -0.410 -3.623 9.949 553 1HG MET 84 1HG MET 84 1.642 -2.653 9.886 554 2HG MET 84 2HG MET 84 1.486 -2.016 11.525 555 1HE MET 84 1HE MET 84 3.164 -2.429 12.941 556 2HE MET 84 2HE MET 84 1.976 -3.461 13.748 557 3HE MET 84 3HE MET 84 3.645 -4.000 13.578 558 H GLN 85 H GLN 85 -1.534 -0.106 10.150 559 HA GLN 85 HA GLN 85 -3.594 -1.348 8.444 560 1HB GLN 85 1HB GLN 85 -4.200 -0.123 10.951 561 2HB GLN 85 2HB GLN 85 -4.800 0.944 9.681 562 1HG GLN 85 1HG GLN 85 -5.499 -1.597 8.785 563 2HG GLN 85 2HG GLN 85 -5.786 -1.678 10.523 564 2HE2 GLN 85 2HE2 GLN 85 -6.611 0.214 7.593 565 1HE2 GLN 85 1HE2 GLN 85 -8.051 0.856 8.221 566 H GLN 86 H GLN 86 -3.431 -0.347 6.469 567 HA GLN 86 HA GLN 86 -2.011 2.271 6.327 568 1HB GLN 86 1HB GLN 86 -2.444 -0.113 4.588 569 2HB GLN 86 2HB GLN 86 -2.231 1.438 3.778 570 1HG GLN 86 1HG GLN 86 -0.301 1.218 5.896 571 2HG GLN 86 2HG GLN 86 -0.217 -0.229 4.892 572 2HE2 GLN 86 2HE2 GLN 86 1.349 0.069 3.304 573 1HE2 GLN 86 1HE2 GLN 86 1.606 1.508 2.442 574 H ILE 87 H ILE 87 -4.280 3.079 7.216 575 HA ILE 87 HA ILE 87 -6.146 3.516 4.911 576 HB ILE 87 HB ILE 87 -7.081 2.345 6.852 577 1HG1 ILE 87 1HG1 ILE 87 -8.879 3.998 7.455 578 2HG1 ILE 87 2HG1 ILE 87 -7.954 5.238 6.608 579 1HG2 ILE 87 1HG2 ILE 87 -5.401 4.184 8.270 580 2HG2 ILE 87 2HG2 ILE 87 -7.062 4.416 8.814 581 3HG2 ILE 87 3HG2 ILE 87 -6.316 2.821 8.915 582 1HD1 ILE 87 1HD1 ILE 87 -8.044 3.843 4.542 583 2HD1 ILE 87 2HD1 ILE 87 -9.057 2.682 5.401 584 3HD1 ILE 87 3HD1 ILE 87 -9.647 4.317 5.104 585 H LEU 88 H LEU 88 -3.950 5.047 7.097 586 HA LEU 88 HA LEU 88 -5.022 7.750 6.370 587 1HB LEU 88 2HB LEU 88 -3.792 8.467 8.395 588 2HB LEU 88 1HB LEU 88 -4.908 7.154 8.772 589 HG LEU 88 HG LEU 88 -2.526 5.885 7.989 590 1HD1 LEU 88 1HD1 LEU 88 -1.581 8.276 8.390 591 2HD1 LEU 88 2HD1 LEU 88 -1.854 7.932 10.097 592 3HD1 LEU 88 3HD1 LEU 88 -0.759 6.918 9.158 593 1HD2 LEU 88 1HD2 LEU 88 -4.137 6.285 10.444 594 2HD2 LEU 88 2HD2 LEU 88 -3.564 4.790 9.707 595 3HD2 LEU 88 3HD2 LEU 88 -2.477 5.753 10.707 596 H SER 89 H SER 89 -3.117 9.418 6.286 597 HA SER 89 HA SER 89 -0.941 8.244 4.592 598 1HB SER 89 1HB SER 89 -2.691 10.610 4.491 599 2HB SER 89 2HB SER 89 -0.996 10.973 4.162 600 HG SER 89 HG SER 89 -1.561 10.304 2.239 601 H ASP 90 H ASP 90 1.030 8.208 5.594 602 HA ASP 90 HA ASP 90 1.730 9.074 8.111 603 1HB ASP 90 2HB ASP 90 4.025 8.991 7.299 604 2HB ASP 90 1HB ASP 90 3.091 7.753 6.459 605 H GLU 91 H GLU 91 1.873 11.041 5.147 606 HA GLU 91 HA GLU 91 3.017 13.395 6.230 607 1HB GLU 91 1HB GLU 91 1.995 12.505 3.825 608 2HB GLU 91 2HB GLU 91 0.847 13.766 4.273 609 1HG GLU 91 2HG GLU 91 2.403 15.129 3.289 610 2HG GLU 91 1HG GLU 91 3.169 15.023 4.873 611 H GLU 92 H GLU 92 -0.263 12.124 6.435 612 HA GLU 92 HA GLU 92 -1.509 14.552 7.403 613 1HB GLU 92 1HB GLU 92 -2.784 12.754 6.387 614 2HB GLU 92 2HB GLU 92 -2.190 11.601 7.583 615 1HG GLU 92 1HG GLU 92 -3.512 12.490 9.289 616 2HG GLU 92 2HG GLU 92 -3.636 14.066 8.508 617 H VAL 93 H VAL 93 -0.009 11.732 8.976 618 HA VAL 93 HA VAL 93 -0.688 12.563 11.679 619 HB VAL 93 HB VAL 93 1.474 10.702 10.636 620 1HG1 VAL 93 1HG1 VAL 93 0.020 10.845 13.296 621 2HG1 VAL 93 2HG1 VAL 93 1.195 9.611 12.841 622 3HG1 VAL 93 3HG1 VAL 93 1.704 11.291 13.017 623 1HG2 VAL 93 1HG2 VAL 93 -1.484 10.344 11.111 624 2HG2 VAL 93 2HG2 VAL 93 -0.534 9.886 9.697 625 3HG2 VAL 93 3HG2 VAL 93 -0.376 8.974 11.199 626 H GLU 94 H GLU 94 1.930 13.223 9.439 627 HA GLU 94 HA GLU 94 3.671 14.382 11.522 628 1HB GLU 94 1HB GLU 94 3.846 14.315 8.492 629 2HB GLU 94 2HB GLU 94 5.159 14.737 9.590 630 1HG GLU 94 1HG GLU 94 4.426 12.336 10.625 631 2HG GLU 94 2HG GLU 94 4.024 12.076 8.928 632 H GLU 95 H GLU 95 1.759 15.529 8.723 633 HA GLU 95 HA GLU 95 2.287 18.348 9.470 634 1HB GLU 95 1HB GLU 95 2.005 16.996 7.110 635 2HB GLU 95 2HB GLU 95 0.383 17.658 7.311 636 1HG GLU 95 1HG GLU 95 1.123 19.860 7.214 637 2HG GLU 95 2HG GLU 95 2.740 19.449 7.783 638 H LYS 96 H LYS 96 -0.547 16.185 9.053 639 HA LYS 96 HA LYS 96 -2.367 18.181 10.204 640 1HB LYS 96 1HB LYS 96 -2.538 16.015 8.488 641 2HB LYS 96 2HB LYS 96 -3.272 15.397 9.967 642 1HG LYS 96 1HG LYS 96 -4.935 17.066 9.982 643 2HG LYS 96 2HG LYS 96 -4.024 18.110 8.891 644 1HD LYS 96 1HD LYS 96 -4.738 17.003 7.021 645 2HD LYS 96 2HD LYS 96 -4.728 15.432 7.823 646 1HE LYS 96 1HE LYS 96 -6.869 15.756 8.756 647 2HE LYS 96 2HE LYS 96 -6.778 17.518 8.582 648 1HZ LYS 96 1HZ LYS 96 -6.377 16.614 6.053 649 2HZ LYS 96 2HZ LYS 96 -7.535 15.521 6.644 650 3HZ LYS 96 3HZ LYS 96 -7.856 17.188 6.657 651 H ASP 97 H ASP 97 -0.318 15.695 11.421 652 HA ASP 97 HA ASP 97 -0.019 14.866 13.616 653 1HB ASP 97 1HB ASP 97 -1.329 17.509 13.778 654 2HB ASP 97 2HB ASP 97 -1.514 16.516 15.224 655 H VAL 98 H VAL 98 -2.651 14.367 11.896 656 HA VAL 98 HA VAL 98 -4.616 13.654 13.951 657 HB VAL 98 HB VAL 98 -4.353 13.195 10.965 658 1HG1 VAL 98 1HG1 VAL 98 -5.731 11.451 12.275 659 2HG1 VAL 98 2HG1 VAL 98 -6.853 12.771 12.606 660 3HG1 VAL 98 3HG1 VAL 98 -6.541 12.275 10.943 661 1HG2 VAL 98 1HG2 VAL 98 -4.704 15.536 11.804 662 2HG2 VAL 98 2HG2 VAL 98 -6.036 14.943 10.813 663 3HG2 VAL 98 3HG2 VAL 98 -6.197 14.992 12.568 664 H ARG 99 H ARG 99 -5.215 11.479 14.502 665 HA ARG 99 HA ARG 99 -3.772 9.175 13.434 666 1HB ARG 99 1HB ARG 99 -2.087 10.336 14.871 667 2HB ARG 99 2HB ARG 99 -3.177 10.153 16.245 668 1HG ARG 99 1HG ARG 99 -3.153 7.638 15.719 669 2HG ARG 99 2HG ARG 99 -1.776 7.985 14.672 670 1HD ARG 99 2HD ARG 99 -1.972 8.490 17.663 671 2HD ARG 99 1HD ARG 99 -0.864 7.384 16.828 672 HE ARG 99 HE ARG 99 -0.799 10.363 16.461 673 1HH1 ARG 99 1HH1 ARG 99 0.589 8.058 14.763 674 2HH1 ARG 99 2HH1 ARG 99 2.221 8.281 15.301 675 1HH2 ARG 99 1HH2 ARG 99 1.342 10.316 17.969 676 2HH2 ARG 99 2HH2 ARG 99 2.647 9.559 17.117 677 H LEU 100 H LEU 100 -4.532 7.159 14.465 678 HA LEU 100 HA LEU 100 -7.270 7.459 15.575 679 1HB LEU 100 1HB LEU 100 -5.730 5.565 13.963 680 2HB LEU 100 2HB LEU 100 -6.653 4.758 15.230 681 HG LEU 100 HG LEU 100 -8.689 5.981 14.486 682 1HD1 LEU 100 1HD1 LEU 100 -6.737 7.057 12.447 683 2HD1 LEU 100 2HD1 LEU 100 -8.475 7.040 12.150 684 3HD1 LEU 100 3HD1 LEU 100 -7.820 7.963 13.504 685 1HD2 LEU 100 1HD2 LEU 100 -7.158 4.082 12.799 686 2HD2 LEU 100 2HD2 LEU 100 -8.785 3.936 13.463 687 3HD2 LEU 100 3HD2 LEU 100 -8.509 4.890 12.005 688 H THR 101 H THR 101 -7.097 7.826 17.800 689 HA THR 101 HA THR 101 -5.310 6.008 19.376 690 HB THR 101 HB THR 101 -5.519 7.788 21.089 691 HG1 THR 101 HG1 THR 101 -7.005 9.202 19.144 692 1HG2 THR 101 1HG2 THR 101 -4.151 7.928 18.686 693 2HG2 THR 101 2HG2 THR 101 -4.971 9.487 18.768 694 3HG2 THR 101 3HG2 THR 101 -3.894 8.987 20.072 695 H CYS 102 H CYS 102 -7.402 4.543 18.717 696 HA CYS 102 HA CYS 102 -9.313 4.756 21.023 697 1HB CYS 102 2HB CYS 102 -9.784 3.828 18.172 698 2HB CYS 102 1HB CYS 102 -11.005 3.868 19.444 699 H ILE 103 H ILE 103 -7.385 2.671 18.928 700 HA ILE 103 HA ILE 103 -7.987 0.374 20.767 701 HB ILE 103 HB ILE 103 -7.634 -1.034 18.742 702 1HG1 ILE 103 1HG1 ILE 103 -7.460 1.629 17.300 703 2HG1 ILE 103 2HG1 ILE 103 -6.089 0.561 17.601 704 1HG2 ILE 103 1HG2 ILE 103 -9.862 0.303 19.426 705 2HG2 ILE 103 2HG2 ILE 103 -9.596 1.021 17.837 706 3HG2 ILE 103 3HG2 ILE 103 -9.790 -0.725 17.995 707 1HD1 ILE 103 1HD1 ILE 103 -7.495 -1.260 16.424 708 2HD1 ILE 103 2HD1 ILE 103 -8.499 0.071 15.849 709 3HD1 ILE 103 3HD1 ILE 103 -6.792 0.001 15.408 710 H GLY 104 H GLY 104 -5.709 2.572 20.354 711 1HA GLY 104 2HA GLY 104 -3.274 2.072 19.709 712 2HA GLY 104 1HA GLY 104 -3.485 0.596 20.652 713 H SER 105 H SER 105 -1.540 1.740 21.762 714 HA SER 105 HA SER 105 -2.582 3.585 23.889 715 1HB SER 105 1HB SER 105 -2.113 1.853 25.266 716 2HB SER 105 2HB SER 105 -1.343 0.955 23.958 717 HG SER 105 HG SER 105 0.553 1.688 24.538 718 HA PRO 106 HA PRO 106 0.795 6.217 22.922 719 1HB PRO 106 1HB PRO 106 1.445 7.214 25.388 720 2HB PRO 106 2HB PRO 106 -0.022 7.686 24.509 721 1HG PRO 106 2HG PRO 106 0.310 5.760 26.756 722 2HG PRO 106 1HG PRO 106 -0.999 6.905 26.438 723 1HD PRO 106 1HD PRO 106 -1.150 4.219 25.914 724 2HD PRO 106 2HD PRO 106 -2.098 5.451 25.055 725 H ALA 107 H ALA 107 3.061 6.093 22.766 726 HA ALA 107 HA ALA 107 4.365 3.918 24.366 727 1HB ALA 107 1HB ALA 107 4.065 3.922 21.763 728 2HB ALA 107 3HB ALA 107 5.393 5.082 21.786 729 3HB ALA 107 2HB ALA 107 5.628 3.459 22.435 730 H ALA 108 H ALA 108 4.407 7.310 23.610 731 HA ALA 108 HA ALA 108 7.157 7.673 24.676 732 1HB ALA 108 1HB ALA 108 7.092 9.399 23.220 733 2HB ALA 108 3HB ALA 108 5.442 8.943 22.793 734 3HB ALA 108 2HB ALA 108 5.730 10.104 24.090 735 H ASP 109 H ASP 109 7.546 8.945 26.574 736 HA ASP 109 HA ASP 109 5.742 8.643 28.752 737 1HB ASP 109 1HB ASP 109 8.345 9.601 28.219 738 2HB ASP 109 2HB ASP 109 7.505 10.926 29.026 739 H GLU 110 H GLU 110 6.611 11.703 27.088 740 HA GLU 110 HA GLU 110 4.014 12.854 28.010 741 1HB GLU 110 1HB GLU 110 6.582 13.755 28.174 742 2HB GLU 110 2HB GLU 110 6.071 14.517 26.668 743 1HG GLU 110 1HG GLU 110 4.726 15.974 27.756 744 2HG GLU 110 2HG GLU 110 4.029 14.697 28.754 745 H VAL 111 H VAL 111 2.403 12.829 26.495 746 HA VAL 111 HA VAL 111 3.153 13.236 23.620 747 HB VAL 111 HB VAL 111 1.098 11.333 24.795 748 1HG1 VAL 111 1HG1 VAL 111 1.078 12.499 22.311 749 2HG1 VAL 111 2HG1 VAL 111 2.006 11.031 22.004 750 3HG1 VAL 111 3HG1 VAL 111 0.380 10.921 22.676 751 1HG2 VAL 111 1HG2 VAL 111 3.931 11.013 23.849 752 2HG2 VAL 111 2HG2 VAL 111 3.135 10.289 25.246 753 3HG2 VAL 111 3HG2 VAL 111 2.791 9.686 23.624 754 H LYS 112 H LYS 112 2.186 15.119 22.960 755 HA LYS 112 HA LYS 112 -0.266 16.067 24.356 756 1HB LYS 112 1HB LYS 112 1.662 17.335 22.384 757 2HB LYS 112 2HB LYS 112 0.311 18.179 23.143 758 1HG LYS 112 1HG LYS 112 1.292 17.609 25.382 759 2HG LYS 112 2HG LYS 112 2.690 16.926 24.551 760 1HD LYS 112 1HD LYS 112 2.790 19.248 23.348 761 2HD LYS 112 2HD LYS 112 1.796 19.796 24.698 762 1HE LYS 112 1HE LYS 112 3.700 19.997 25.917 763 2HE LYS 112 2HE LYS 112 3.881 18.234 25.831 764 1HZ LYS 112 1HZ LYS 112 4.706 20.111 23.675 765 2HZ LYS 112 2HZ LYS 112 5.773 19.485 24.837 766 3HZ LYS 112 3HZ LYS 112 5.003 18.440 23.741 767 H ILE 113 H ILE 113 -2.196 16.482 23.212 768 HA ILE 113 HA ILE 113 -2.352 16.088 20.306 769 HB ILE 113 HB ILE 113 -2.307 13.791 21.068 770 1HG1 ILE 113 1HG1 ILE 113 -5.239 14.433 20.725 771 2HG1 ILE 113 2HG1 ILE 113 -4.096 14.569 19.389 772 1HG2 ILE 113 1HG2 ILE 113 -4.163 14.875 23.159 773 2HG2 ILE 113 2HG2 ILE 113 -4.297 13.178 22.701 774 3HG2 ILE 113 3HG2 ILE 113 -2.779 13.799 23.347 775 1HD1 ILE 113 1HD1 ILE 113 -3.393 12.141 20.118 776 2HD1 ILE 113 2HD1 ILE 113 -4.983 12.117 20.882 777 3HD1 ILE 113 3HD1 ILE 113 -4.844 12.370 19.142 778 H VAL 114 H VAL 114 -4.190 17.106 19.484 779 HA VAL 114 HA VAL 114 -5.795 18.686 21.387 780 HB VAL 114 HB VAL 114 -5.930 18.445 18.363 781 1HG1 VAL 114 1HG1 VAL 114 -7.836 19.556 19.670 782 2HG1 VAL 114 2HG1 VAL 114 -6.663 20.793 20.122 783 3HG1 VAL 114 3HG1 VAL 114 -7.069 20.539 18.424 784 1HG2 VAL 114 1HG2 VAL 114 -3.887 19.541 20.101 785 2HG2 VAL 114 2HG2 VAL 114 -3.896 19.418 18.342 786 3HG2 VAL 114 3HG2 VAL 114 -4.621 20.819 19.131 787 H TYR 115 H TYR 115 -7.822 18.098 22.069 788 HA TYR 115 HA TYR 115 -9.034 15.643 20.899 789 1HB TYR 115 1HB TYR 115 -9.428 15.207 23.083 790 2HB TYR 115 2HB TYR 115 -8.605 16.706 23.495 791 HD1 TYR 115 HD1 TYR 115 -11.879 15.105 22.930 792 HD2 TYR 115 HD2 TYR 115 -9.853 18.729 24.036 793 HE1 TYR 115 HE1 TYR 115 -14.022 16.058 23.743 794 HE2 TYR 115 HE2 TYR 115 -11.991 19.679 24.848 795 HH TYR 115 HH TYR 115 -14.510 19.265 24.305 796 H ASN 116 H ASN 116 -11.268 15.650 20.225 797 HA ASN 116 HA ASN 116 -13.267 16.601 19.380 798 1HB ASN 116 1HB ASN 116 -12.450 18.188 21.554 799 2HB ASN 116 2HB ASN 116 -12.788 19.331 20.258 800 2HD2 ASN 116 2HD2 ASN 116 -14.644 19.751 22.009 801 1HD2 ASN 116 1HD2 ASN 116 -16.084 18.889 21.752 802 H ALA 117 H ALA 117 -10.941 16.456 17.756 803 HA ALA 117 HA ALA 117 -10.273 18.931 16.460 804 1HB ALA 117 1HB ALA 117 -9.054 16.700 16.450 805 2HB ALA 117 3HB ALA 117 -9.203 17.469 14.870 806 3HB ALA 117 2HB ALA 117 -10.266 16.130 15.303 807 H LYS 118 H LYS 118 -13.013 16.788 16.182 808 HA LYS 118 HA LYS 118 -13.939 17.154 13.581 809 1HB LYS 118 2HB LYS 118 -16.150 16.813 14.559 810 2HB LYS 118 1HB LYS 118 -14.979 15.835 15.443 811 1HG LYS 118 1HG LYS 118 -15.057 17.200 17.324 812 2HG LYS 118 2HG LYS 118 -15.556 18.618 16.403 813 1HD LYS 118 1HD LYS 118 -17.404 16.267 16.479 814 2HD LYS 118 2HD LYS 118 -17.296 17.288 17.913 815 1HE LYS 118 1HE LYS 118 -17.508 19.219 16.033 816 2HE LYS 118 2HE LYS 118 -18.406 17.921 15.223 817 H HIS 119 H HIS 119 -13.643 19.546 16.108 818 HA HIS 119 HA HIS 119 -15.490 21.503 15.079 819 1HB HIS 119 1HB HIS 119 -13.004 21.604 16.810 820 2HB HIS 119 2HB HIS 119 -14.020 23.014 16.518 821 HD1 HIS 119 HD1 HIS 119 -16.792 22.146 16.849 822 HD2 HIS 119 HD2 HIS 119 -13.778 20.486 19.205 823 HE1 HIS 119 HE1 HIS 119 -17.929 21.188 18.900 824 H LEU 120 H LEU 120 -12.247 20.553 14.189 825 HA LEU 120 HA LEU 120 -11.186 22.820 12.947 826 1HB LEU 120 1HB LEU 120 -10.101 20.609 13.190 827 2HB LEU 120 2HB LEU 120 -11.202 19.940 11.984 828 HG LEU 120 HG LEU 120 -10.327 21.521 10.305 829 1HD1 LEU 120 1HD1 LEU 120 -8.985 22.604 12.720 830 2HD1 LEU 120 2HD1 LEU 120 -8.007 22.559 11.252 831 3HD1 LEU 120 3HD1 LEU 120 -9.535 23.439 11.266 832 1HD2 LEU 120 1HD2 LEU 120 -8.922 19.347 11.500 833 2HD2 LEU 120 2HD2 LEU 120 -8.809 19.927 9.838 834 3HD2 LEU 120 3HD2 LEU 120 -7.732 20.577 11.074 835 H ASP 121 H ASP 121 -12.203 24.172 11.511 836 HA ASP 121 HA ASP 121 -14.557 23.793 10.093 837 1HB ASP 121 1HB ASP 121 -13.533 25.936 10.159 838 2HB ASP 121 2HB ASP 121 -12.018 25.321 9.497 839 H TYR 122 H TYR 122 -11.299 22.729 9.165 840 HA TYR 122 HA TYR 122 -11.835 21.936 6.484 841 1HB TYR 122 1HB TYR 122 -9.745 21.891 8.338 842 2HB TYR 122 2HB TYR 122 -10.016 20.191 7.957 843 HD1 TYR 122 HD1 TYR 122 -10.627 19.901 5.271 844 HD2 TYR 122 HD2 TYR 122 -8.128 22.919 7.029 845 HE1 TYR 122 HE1 TYR 122 -9.467 20.205 3.100 846 HE2 TYR 122 HE2 TYR 122 -6.969 23.224 4.859 847 HH TYR 122 HH TYR 122 -6.563 22.029 2.809 848 H LEU 123 H LEU 123 -12.500 20.355 9.563 849 HA LEU 123 HA LEU 123 -13.420 17.882 8.183 850 1HB LEU 123 1HB LEU 123 -12.597 18.743 10.918 851 2HB LEU 123 2HB LEU 123 -13.775 17.434 10.822 852 HG LEU 123 HG LEU 123 -11.538 17.151 8.931 853 1HD1 LEU 123 1HD1 LEU 123 -10.759 18.159 11.346 854 2HD1 LEU 123 2HD1 LEU 123 -10.749 16.430 11.690 855 3HD1 LEU 123 3HD1 LEU 123 -9.770 17.072 10.372 856 1HD2 LEU 123 1HD2 LEU 123 -13.461 15.532 9.900 857 2HD2 LEU 123 2HD2 LEU 123 -11.911 14.917 9.326 858 3HD2 LEU 123 3HD2 LEU 123 -12.179 15.161 11.052 859 H GLN 124 H GLN 124 -14.628 20.711 9.871 860 HA GLN 124 HA GLN 124 -17.278 19.724 10.457 861 1HB GLN 124 1HB GLN 124 -15.682 22.113 10.698 862 2HB GLN 124 2HB GLN 124 -17.278 22.537 10.079 863 1HG GLN 124 1HG GLN 124 -18.368 21.467 11.939 864 2HG GLN 124 2HG GLN 124 -16.853 20.748 12.486 865 2HE2 GLN 124 2HE2 GLN 124 -17.376 21.951 14.584 866 1HE2 GLN 124 1HE2 GLN 124 -16.934 23.585 14.700 867 H ASN 125 H ASN 125 -15.763 20.986 7.571 868 HA ASN 125 HA ASN 125 -18.129 21.871 6.190 869 1HB ASN 125 1HB ASN 125 -15.408 21.926 5.832 870 2HB ASN 125 2HB ASN 125 -15.899 20.748 4.615 871 2HD2 ASN 125 2HD2 ASN 125 -17.765 21.506 3.141 872 1HD2 ASN 125 1HD2 ASN 125 -17.824 23.154 2.738 873 H ARG 126 H ARG 126 -17.227 18.764 7.152 874 HA ARG 126 HA ARG 126 -18.216 17.318 4.796 875 1HB ARG 126 1HB ARG 126 -17.345 16.591 7.602 876 2HB ARG 126 2HB ARG 126 -17.915 15.382 6.452 877 1HG ARG 126 1HG ARG 126 -16.120 16.722 4.906 878 2HG ARG 126 2HG ARG 126 -15.372 16.903 6.493 879 1HD ARG 126 2HD ARG 126 -14.558 14.835 5.444 880 2HD ARG 126 1HD ARG 126 -15.604 14.412 6.814 881 HE ARG 126 HE ARG 126 -17.146 14.713 4.383 882 1HH1 ARG 126 1HH1 ARG 126 -15.175 12.611 6.279 883 2HH1 ARG 126 2HH1 ARG 126 -15.717 11.171 5.484 884 1HH2 ARG 126 1HH2 ARG 126 -17.786 12.850 3.267 885 2HH2 ARG 126 2HH2 ARG 126 -17.194 11.306 3.782 886 H VAL 127 H VAL 127 -19.815 19.119 7.027 887 HA VAL 127 HA VAL 127 -21.952 17.264 7.777 888 HB VAL 127 HB VAL 127 -22.923 19.321 8.736 889 1HG1 VAL 127 1HG1 VAL 127 -20.027 18.662 9.101 890 2HG1 VAL 127 2HG1 VAL 127 -20.661 20.095 9.910 891 3HG1 VAL 127 3HG1 VAL 127 -21.363 18.512 10.243 892 1HG2 VAL 127 1HG2 VAL 127 -21.722 20.576 6.597 893 2HG2 VAL 127 2HG2 VAL 127 -22.399 21.402 8.001 894 3HG2 VAL 127 3HG2 VAL 127 -20.674 21.041 7.938 895 H ILE 128 H ILE 128 -24.287 17.927 7.180 896 HA ILE 128 HA ILE 128 -24.385 18.570 4.253 897 HB ILE 128 HB ILE 128 -26.275 16.999 6.036 898 1HG1 ILE 128 1HG1 ILE 128 -25.174 15.290 4.152 899 2HG1 ILE 128 2HG1 ILE 128 -23.808 16.304 4.617 900 1HG2 ILE 128 1HG2 ILE 128 -26.915 18.229 3.706 901 2HG2 ILE 128 2HG2 ILE 128 -26.279 16.708 3.082 902 3HG2 ILE 128 3HG2 ILE 128 -27.630 16.700 4.215 903 1HD1 ILE 128 1HD1 ILE 128 -24.559 15.865 7.051 904 2HD1 ILE 128 2HD1 ILE 128 -25.532 14.559 6.376 905 3HD1 ILE 128 3HD1 ILE 128 -23.778 14.537 6.194 No H/Q in entry = 905 Start of MODEL 10 1 H2 PRO 1 H2 PRO 1 2.706 6.543 30.651 2 H3 PRO 1 H3 PRO 1 4.273 6.089 30.168 3 HA PRO 1 HA PRO 1 4.300 7.809 28.782 4 1HB PRO 1 1HB PRO 1 2.337 7.351 26.931 5 2HB PRO 1 2HB PRO 1 3.843 6.416 26.998 6 1HG PRO 1 2HG PRO 1 1.130 5.726 28.022 7 2HG PRO 1 1HG PRO 1 2.320 4.701 27.207 8 1HD PRO 1 1HD PRO 1 1.923 4.674 29.898 9 2HD PRO 1 2HD PRO 1 3.485 4.297 29.143 10 H THR 2 H THR 2 3.565 9.913 28.832 11 HA THR 2 HA THR 2 0.900 10.417 30.080 12 HB THR 2 HB THR 2 3.450 12.009 29.704 13 HG1 THR 2 HG1 THR 2 2.150 10.659 31.755 14 1HG2 THR 2 1HG2 THR 2 1.351 13.406 29.412 15 2HG2 THR 2 2HG2 THR 2 0.925 12.970 31.067 16 3HG2 THR 2 3HG2 THR 2 2.394 13.893 30.748 17 H VAL 3 H VAL 3 -0.673 11.602 28.968 18 HA VAL 3 HA VAL 3 0.048 12.656 26.258 19 HB VAL 3 HB VAL 3 -2.341 10.951 27.042 20 1HG1 VAL 3 1HG1 VAL 3 -2.415 12.834 25.149 21 2HG1 VAL 3 2HG1 VAL 3 -1.604 11.577 24.215 22 3HG1 VAL 3 3HG1 VAL 3 -3.192 11.267 24.917 23 1HG2 VAL 3 1HG2 VAL 3 0.020 9.893 26.791 24 2HG2 VAL 3 2HG2 VAL 3 -1.313 9.168 25.891 25 3HG2 VAL 3 3HG2 VAL 3 -0.173 10.237 25.072 26 H GLU 4 H GLU 4 -0.255 14.850 26.633 27 HA GLU 4 HA GLU 4 -2.410 15.824 28.375 28 1HB GLU 4 1HB GLU 4 0.036 16.706 27.872 29 2HB GLU 4 2HB GLU 4 -0.764 17.530 26.532 30 1HG GLU 4 1HG GLU 4 -2.357 18.559 28.113 31 2HG GLU 4 2HG GLU 4 -1.563 17.730 29.454 32 H TYR 5 H TYR 5 -4.478 15.927 27.573 33 HA TYR 5 HA TYR 5 -4.915 16.174 24.651 34 1HB TYR 5 2HB TYR 5 -7.215 15.606 25.265 35 2HB TYR 5 1HB TYR 5 -6.106 14.518 26.098 36 HD1 TYR 5 HD1 TYR 5 -8.188 17.576 26.505 37 HD2 TYR 5 HD2 TYR 5 -5.949 14.486 28.478 38 HE1 TYR 5 HE1 TYR 5 -9.113 18.299 28.689 39 HE2 TYR 5 HE2 TYR 5 -6.875 15.209 30.662 40 HH TYR 5 HH TYR 5 -8.251 16.594 31.703 41 H LEU 6 H LEU 6 -5.996 17.943 23.707 42 HA LEU 6 HA LEU 6 -6.678 20.259 25.479 43 1HB LEU 6 1HB LEU 6 -4.358 20.001 23.974 44 2HB LEU 6 2HB LEU 6 -5.409 20.943 22.919 45 HG LEU 6 HG LEU 6 -4.605 21.599 25.766 46 1HD1 LEU 6 1HD1 LEU 6 -3.556 22.268 23.201 47 2HD1 LEU 6 2HD1 LEU 6 -4.310 23.721 23.858 48 3HD1 LEU 6 3HD1 LEU 6 -3.050 22.890 24.772 49 1HD2 LEU 6 1HD2 LEU 6 -6.701 22.826 23.959 50 2HD2 LEU 6 2HD2 LEU 6 -6.926 22.180 25.585 51 3HD2 LEU 6 3HD2 LEU 6 -6.018 23.673 25.347 52 H ASN 7 H ASN 7 -8.683 21.063 24.912 53 HA ASN 7 HA ASN 7 -10.265 19.946 22.811 54 1HB ASN 7 1HB ASN 7 -11.089 21.045 24.872 55 2HB ASN 7 2HB ASN 7 -10.489 22.592 24.281 56 2HD2 ASN 7 2HD2 ASN 7 -12.890 23.208 24.450 57 1HD2 ASN 7 1HD2 ASN 7 -13.895 22.832 23.136 58 H TYR 8 H TYR 8 -10.149 20.360 20.640 59 HA TYR 8 HA TYR 8 -8.359 22.244 19.457 60 1HB TYR 8 1HB TYR 8 -9.119 20.330 18.232 61 2HB TYR 8 2HB TYR 8 -10.812 20.742 18.508 62 HD1 TYR 8 HD1 TYR 8 -11.695 22.938 17.511 63 HD2 TYR 8 HD2 TYR 8 -7.976 21.143 16.329 64 HE1 TYR 8 HE1 TYR 8 -11.716 24.272 15.421 65 HE2 TYR 8 HE2 TYR 8 -7.997 22.478 14.238 66 HH TYR 8 HH TYR 8 -8.980 24.526 13.375 67 H GLU 9 H GLU 9 -11.781 22.468 20.354 68 HA GLU 9 HA GLU 9 -12.410 24.915 19.014 69 1HB GLU 9 1HB GLU 9 -13.776 23.067 20.384 70 2HB GLU 9 2HB GLU 9 -13.562 24.232 21.691 71 1HG GLU 9 2HG GLU 9 -15.646 24.736 20.547 72 2HG GLU 9 1HG GLU 9 -14.484 26.010 20.175 73 H THR 10 H THR 10 -10.845 24.229 22.113 74 HA THR 10 HA THR 10 -10.961 26.831 23.270 75 HB THR 10 HB THR 10 -8.949 24.565 23.418 76 HG1 THR 10 HG1 THR 10 -11.280 25.319 24.776 77 1HG2 THR 10 1HG2 THR 10 -8.896 27.257 24.566 78 2HG2 THR 10 2HG2 THR 10 -8.800 25.988 25.788 79 3HG2 THR 10 3HG2 THR 10 -7.616 26.046 24.482 80 H LEU 11 H LEU 11 -8.646 25.373 20.989 81 HA LEU 11 HA LEU 11 -6.751 27.519 20.956 82 1HB LEU 11 1HB LEU 11 -6.351 25.265 20.058 83 2HB LEU 11 2HB LEU 11 -7.594 25.517 18.833 84 HG LEU 11 HG LEU 11 -6.308 27.196 17.729 85 1HD1 LEU 11 1HD1 LEU 11 -4.635 27.157 20.249 86 2HD1 LEU 11 2HD1 LEU 11 -4.059 27.892 18.753 87 3HD1 LEU 11 3HD1 LEU 11 -5.505 28.518 19.544 88 1HD2 LEU 11 1HD2 LEU 11 -4.910 24.703 18.535 89 2HD2 LEU 11 2HD2 LEU 11 -5.290 25.310 16.924 90 3HD2 LEU 11 3HD2 LEU 11 -3.902 25.951 17.803 91 H ASP 12 H ASP 12 -9.771 26.968 19.180 92 HA ASP 12 HA ASP 12 -9.426 29.303 17.446 93 1HB ASP 12 1HB ASP 12 -11.698 27.403 18.098 94 2HB ASP 12 2HB ASP 12 -11.839 28.691 16.902 95 H ASP 13 H ASP 13 -11.297 28.501 20.373 96 HA ASP 13 HA ASP 13 -12.776 30.939 20.567 97 1HB ASP 13 1HB ASP 13 -11.783 28.849 22.512 98 2HB ASP 13 2HB ASP 13 -12.768 30.209 23.050 99 H GLN 14 H GLN 14 -9.755 29.968 22.245 100 HA GLN 14 HA GLN 14 -9.269 32.578 23.375 101 1HB GLN 14 1HB GLN 14 -7.351 30.304 22.770 102 2HB GLN 14 2HB GLN 14 -7.131 31.566 23.983 103 1HG GLN 14 1HG GLN 14 -9.694 30.233 24.310 104 2HG GLN 14 2HG GLN 14 -8.364 29.076 24.369 105 2HE2 GLN 14 2HE2 GLN 14 -6.341 30.279 25.677 106 1HE2 GLN 14 1HE2 GLN 14 -6.817 30.877 27.194 107 H GLY 15 H GLY 15 -8.840 31.294 20.212 108 1HA GLY 15 2HA GLY 15 -7.918 33.762 19.116 109 2HA GLY 15 1HA GLY 15 -7.870 32.209 18.280 110 H TRP 16 H TRP 16 -6.193 30.891 20.247 111 HA TRP 16 HA TRP 16 -3.684 32.464 20.331 112 1HB TRP 16 1HB TRP 16 -4.947 30.217 21.696 113 2HB TRP 16 2HB TRP 16 -3.266 29.870 21.292 114 HD1 TRP 16 HD1 TRP 16 -2.531 30.077 23.838 115 HE1 TRP 16 HE1 TRP 16 -2.115 32.127 25.344 116 HE3 TRP 16 HE3 TRP 16 -4.850 33.698 21.072 117 HZ2 TRP 16 HZ2 TRP 16 -2.685 34.927 25.372 118 HZ3 TRP 16 HZ3 TRP 16 -4.896 36.044 21.864 119 HH2 TRP 16 HH2 TRP 16 -3.818 36.663 24.008 120 H ASP 17 H ASP 17 -1.646 31.043 19.750 121 HA ASP 17 HA ASP 17 -1.935 30.246 16.935 122 1HB ASP 17 1HB ASP 17 0.222 30.825 18.913 123 2HB ASP 17 2HB ASP 17 0.648 29.791 17.549 124 H MET 18 H MET 18 -0.492 28.170 16.380 125 HA MET 18 HA MET 18 -1.831 25.892 17.606 126 1HB MET 18 1HB MET 18 -1.029 26.294 15.178 127 2HB MET 18 2HB MET 18 0.572 25.850 15.772 128 1HG MET 18 1HG MET 18 -0.847 23.814 16.817 129 2HG MET 18 2HG MET 18 -1.857 24.162 15.415 130 1HE MET 18 1HE MET 18 -1.545 23.598 13.275 131 2HE MET 18 2HE MET 18 -0.314 24.812 12.934 132 3HE MET 18 3HE MET 18 -0.067 23.148 12.414 133 H ASP 19 H ASP 19 1.556 27.064 17.545 134 HA ASP 19 HA ASP 19 2.035 25.492 20.052 135 1HB ASP 19 1HB ASP 19 4.292 24.966 19.024 136 2HB ASP 19 2HB ASP 19 2.924 24.223 18.195 137 H ASP 20 H ASP 20 1.951 28.500 18.712 138 HA ASP 20 HA ASP 20 4.458 29.629 19.654 139 1HB ASP 20 1HB ASP 20 2.434 30.354 17.958 140 2HB ASP 20 2HB ASP 20 2.075 31.358 19.363 141 H ASP 21 H ASP 21 1.084 29.837 20.869 142 HA ASP 21 HA ASP 21 1.940 31.108 23.362 143 1HB ASP 21 1HB ASP 21 -0.613 30.091 22.137 144 2HB ASP 21 2HB ASP 21 -0.580 30.565 23.835 145 H ASP 22 H ASP 22 2.107 27.949 22.277 146 HA ASP 22 HA ASP 22 2.260 25.860 23.383 147 1HB ASP 22 1HB ASP 22 3.114 27.779 25.576 148 2HB ASP 22 2HB ASP 22 3.516 26.064 25.501 149 H LEU 23 H LEU 23 -0.357 26.646 23.326 150 HA LEU 23 HA LEU 23 -1.874 27.158 25.563 151 1HB LEU 23 1HB LEU 23 -2.248 25.020 23.444 152 2HB LEU 23 2HB LEU 23 -3.532 25.580 24.515 153 HG LEU 23 HG LEU 23 -2.525 27.951 23.549 154 1HD1 LEU 23 1HD1 LEU 23 -1.867 25.780 21.668 155 2HD1 LEU 23 2HD1 LEU 23 -2.768 27.111 20.942 156 3HD1 LEU 23 3HD1 LEU 23 -1.234 27.424 21.755 157 1HD2 LEU 23 1HD2 LEU 23 -4.919 27.036 23.738 158 2HD2 LEU 23 2HD2 LEU 23 -4.594 28.116 22.382 159 3HD2 LEU 23 3HD2 LEU 23 -4.673 26.374 22.122 160 H PHE 24 H PHE 24 -0.538 23.946 24.717 161 HA PHE 24 HA PHE 24 -1.528 22.397 26.822 162 1HB PHE 24 1HB PHE 24 1.066 22.489 25.287 163 2HB PHE 24 2HB PHE 24 0.825 21.275 26.542 164 HD1 PHE 24 HD1 PHE 24 -1.546 20.042 26.425 165 HD2 PHE 24 HD2 PHE 24 0.409 21.961 23.117 166 HE1 PHE 24 HE1 PHE 24 -2.874 18.668 24.844 167 HE2 PHE 24 HE2 PHE 24 -0.920 20.589 21.536 168 HZ PHE 24 HZ PHE 24 -2.561 18.942 22.399 169 H GLU 25 H GLU 25 0.820 24.965 26.904 170 HA GLU 25 HA GLU 25 1.551 24.294 29.728 171 1HB GLU 25 1HB GLU 25 2.749 26.031 27.556 172 2HB GLU 25 2HB GLU 25 3.341 26.052 29.218 173 1HG GLU 25 1HG GLU 25 3.721 23.593 29.079 174 2HG GLU 25 2HG GLU 25 3.207 23.632 27.393 175 H LYS 26 H LYS 26 0.522 27.059 27.691 176 HA LYS 26 HA LYS 26 0.120 28.874 29.898 177 1HB LYS 26 1HB LYS 26 0.462 29.388 27.437 178 2HB LYS 26 2HB LYS 26 -1.197 28.854 27.165 179 1HG LYS 26 1HG LYS 26 -1.712 31.038 27.561 180 2HG LYS 26 2HG LYS 26 -1.543 30.579 29.255 181 1HD LYS 26 1HD LYS 26 0.124 32.084 29.429 182 2HD LYS 26 2HD LYS 26 1.075 31.080 28.335 183 1HE LYS 26 1HE LYS 26 -0.935 32.731 26.949 184 2HE LYS 26 2HE LYS 26 0.311 33.673 27.790 185 1HZ LYS 26 1HZ LYS 26 1.223 31.285 26.399 186 2HZ LYS 26 2HZ LYS 26 0.694 32.552 25.399 187 3HZ LYS 26 3HZ LYS 26 1.948 32.817 26.511 188 H ALA 27 H ALA 27 -1.798 26.309 28.520 189 HA ALA 27 HA ALA 27 -4.408 27.177 29.344 190 1HB ALA 27 1HB ALA 27 -4.021 25.417 27.705 191 2HB ALA 27 2HB ALA 27 -3.160 24.446 28.901 192 3HB ALA 27 3HB ALA 27 -4.894 24.723 29.072 193 H ALA 28 H ALA 28 -1.852 25.328 30.993 194 HA ALA 28 HA ALA 28 -3.335 24.494 33.275 195 1HB ALA 28 1HB ALA 28 -0.581 24.726 32.360 196 2HB ALA 28 3HB ALA 28 -0.708 25.056 34.087 197 3HB ALA 28 2HB ALA 28 -1.295 23.525 33.438 198 H ASP 29 H ASP 29 -1.989 27.609 32.394 199 HA ASP 29 HA ASP 29 -2.194 28.743 35.092 200 1HB ASP 29 1HB ASP 29 -0.672 29.294 32.979 201 2HB ASP 29 2HB ASP 29 -2.019 30.359 32.574 202 H ALA 30 H ALA 30 -4.076 28.800 32.091 203 HA ALA 30 HA ALA 30 -6.026 30.742 33.020 204 1HB ALA 30 1HB ALA 30 -5.530 28.947 30.713 205 2HB ALA 30 3HB ALA 30 -7.223 29.354 30.999 206 3HB ALA 30 2HB ALA 30 -6.041 30.635 30.731 207 H GLY 31 H GLY 31 -5.511 27.408 33.658 208 1HA GLY 31 2HA GLY 31 -7.677 27.195 35.486 209 2HA GLY 31 1HA GLY 31 -6.794 25.821 34.818 210 H LEU 32 H LEU 32 -7.410 26.310 32.065 211 HA LEU 32 HA LEU 32 -10.087 26.734 31.370 212 1HB LEU 32 1HB LEU 32 -7.800 25.099 30.369 213 2HB LEU 32 2HB LEU 32 -9.385 24.779 29.662 214 HG LEU 32 HG LEU 32 -8.303 27.587 29.921 215 1HD1 LEU 32 1HD1 LEU 32 -7.779 25.505 27.808 216 2HD1 LEU 32 2HD1 LEU 32 -7.807 27.217 27.391 217 3HD1 LEU 32 3HD1 LEU 32 -6.640 26.617 28.568 218 1HD2 LEU 32 1HD2 LEU 32 -10.462 26.221 28.302 219 2HD2 LEU 32 2HD2 LEU 32 -10.651 27.520 29.480 220 3HD2 LEU 32 3HD2 LEU 32 -9.882 27.843 27.926 221 H ASP 33 H ASP 33 -11.424 24.653 30.457 222 HA ASP 33 HA ASP 33 -12.372 23.254 32.815 223 1HB ASP 33 1HB ASP 33 -13.333 23.992 30.340 224 2HB ASP 33 2HB ASP 33 -13.133 22.250 30.151 225 H GLY 34 H GLY 34 -12.518 20.831 32.896 226 1HA GLY 34 2HA GLY 34 -11.154 18.897 33.214 227 2HA GLY 34 1HA GLY 34 -9.914 19.635 32.199 228 H GLU 35 H GLU 35 -13.198 19.622 31.068 229 HA GLU 35 HA GLU 35 -12.994 17.114 29.573 230 1HB GLU 35 2HB GLU 35 -14.926 19.421 29.211 231 2HB GLU 35 1HB GLU 35 -15.207 17.718 28.851 232 1HG GLU 35 1HG GLU 35 -14.433 17.789 31.557 233 2HG GLU 35 2HG GLU 35 -15.554 19.135 31.357 234 H ASP 36 H ASP 36 -11.404 19.944 29.166 235 HA ASP 36 HA ASP 36 -11.406 19.710 26.169 236 1HB ASP 36 1HB ASP 36 -11.477 22.083 28.043 237 2HB ASP 36 2HB ASP 36 -10.912 22.253 26.382 238 H TYR 37 H TYR 37 -9.575 20.848 29.024 239 HA TYR 37 HA TYR 37 -7.054 20.044 27.609 240 1HB TYR 37 1HB TYR 37 -7.077 22.408 27.586 241 2HB TYR 37 2HB TYR 37 -7.821 22.504 29.182 242 HD1 TYR 37 HD1 TYR 37 -4.749 20.995 27.621 243 HD2 TYR 37 HD2 TYR 37 -6.435 23.163 30.924 244 HE1 TYR 37 HE1 TYR 37 -2.503 21.158 28.661 245 HE2 TYR 37 HE2 TYR 37 -4.190 23.326 31.964 246 HH TYR 37 HH TYR 37 -1.327 22.595 30.276 247 H GLY 38 H GLY 38 -5.521 18.985 28.931 248 1HA GLY 38 2HA GLY 38 -6.544 17.763 31.367 249 2HA GLY 38 1HA GLY 38 -5.263 18.934 31.682 250 H THR 39 H THR 39 -3.987 17.061 32.443 251 HA THR 39 HA THR 39 -2.403 15.903 30.240 252 HB THR 39 HB THR 39 -1.978 15.252 33.127 253 HG1 THR 39 HG1 THR 39 -2.145 17.281 33.613 254 1HG2 THR 39 1HG2 THR 39 -0.400 14.529 31.365 255 2HG2 THR 39 2HG2 THR 39 -0.161 16.213 30.898 256 3HG2 THR 39 3HG2 THR 39 0.361 15.656 32.489 257 H MET 40 H MET 40 -3.186 14.032 29.328 258 HA MET 40 HA MET 40 -4.860 12.185 30.915 259 1HB MET 40 1HB MET 40 -4.690 13.025 28.256 260 2HB MET 40 2HB MET 40 -4.090 11.366 28.221 261 1HG MET 40 1HG MET 40 -6.111 10.593 29.382 262 2HG MET 40 2HG MET 40 -6.702 12.251 29.488 263 1HE MET 40 1HE MET 40 -7.624 9.437 28.376 264 2HE MET 40 2HE MET 40 -8.114 9.450 26.683 265 3HE MET 40 3HE MET 40 -6.452 9.047 27.109 266 H GLU 41 H GLU 41 -2.797 11.783 32.323 267 HA GLU 41 HA GLU 41 -0.640 10.207 31.166 268 1HB GLU 41 1HB GLU 41 -1.580 10.658 34.018 269 2HB GLU 41 2HB GLU 41 -0.020 9.974 33.561 270 1HG GLU 41 1HG GLU 41 0.747 12.004 32.661 271 2HG GLU 41 2HG GLU 41 -0.885 12.647 32.477 272 H VAL 42 H VAL 42 -0.992 8.124 30.486 273 HA VAL 42 HA VAL 42 -2.702 6.367 32.217 274 HB VAL 42 HB VAL 42 -3.584 5.390 30.114 275 1HG1 VAL 42 1HG1 VAL 42 -4.779 7.270 31.184 276 2HG1 VAL 42 2HG1 VAL 42 -3.820 8.412 30.242 277 3HG1 VAL 42 3HG1 VAL 42 -4.948 7.327 29.430 278 1HG2 VAL 42 1HG2 VAL 42 -1.664 7.379 28.926 279 2HG2 VAL 42 2HG2 VAL 42 -1.906 5.685 28.503 280 3HG2 VAL 42 3HG2 VAL 42 -3.101 6.892 28.028 281 H ALA 43 H ALA 43 -2.007 4.165 32.298 282 HA ALA 43 HA ALA 43 0.805 3.686 32.076 283 1HB ALA 43 1HB ALA 43 -1.616 2.375 32.935 284 2HB ALA 43 3HB ALA 43 -0.629 1.238 32.015 285 3HB ALA 43 2HB ALA 43 0.045 2.047 33.430 286 H GLU 44 H GLU 44 1.911 2.246 30.581 287 HA GLU 44 HA GLU 44 1.322 2.643 27.823 288 1HB GLU 44 1HB GLU 44 3.533 2.104 28.796 289 2HB GLU 44 2HB GLU 44 2.949 0.496 29.225 290 1HG GLU 44 1HG GLU 44 2.311 0.654 26.547 291 2HG GLU 44 2HG GLU 44 3.838 1.534 26.621 292 H GLY 45 H GLY 45 -0.465 1.821 26.811 293 1HA GLY 45 2HA GLY 45 -1.197 -1.022 27.388 294 2HA GLY 45 1HA GLY 45 -1.419 -0.251 25.817 295 H GLU 46 H GLU 46 -2.169 2.138 27.884 296 HA GLU 46 HA GLU 46 -4.886 1.264 28.640 297 1HB GLU 46 1HB GLU 46 -2.966 3.021 29.616 298 2HB GLU 46 2HB GLU 46 -4.174 4.095 28.910 299 1HG GLU 46 1HG GLU 46 -5.065 3.801 31.035 300 2HG GLU 46 2HG GLU 46 -5.863 2.488 30.170 301 H TYR 47 H TYR 47 -6.328 1.226 26.928 302 HA TYR 47 HA TYR 47 -6.195 2.608 24.495 303 1HB TYR 47 1HB TYR 47 -8.477 1.637 26.225 304 2HB TYR 47 2HB TYR 47 -8.757 2.310 24.620 305 HD1 TYR 47 HD1 TYR 47 -6.876 1.366 22.834 306 HD2 TYR 47 HD2 TYR 47 -8.376 -0.686 26.296 307 HE1 TYR 47 HE1 TYR 47 -6.257 -0.808 21.814 308 HE2 TYR 47 HE2 TYR 47 -7.757 -2.860 25.276 309 HH TYR 47 HH TYR 47 -6.306 -3.760 23.609 310 H ILE 48 H ILE 48 -5.926 4.800 24.293 311 HA ILE 48 HA ILE 48 -6.325 6.854 26.077 312 HB ILE 48 HB ILE 48 -6.813 6.701 23.094 313 1HG1 ILE 48 1HG1 ILE 48 -4.532 6.188 23.894 314 2HG1 ILE 48 2HG1 ILE 48 -4.565 7.707 22.998 315 1HG2 ILE 48 1HG2 ILE 48 -6.550 9.157 24.857 316 2HG2 ILE 48 2HG2 ILE 48 -6.581 9.168 23.093 317 3HG2 ILE 48 3HG2 ILE 48 -8.007 8.656 23.997 318 1HD1 ILE 48 1HD1 ILE 48 -4.852 8.875 25.249 319 2HD1 ILE 48 2HD1 ILE 48 -4.463 7.327 25.998 320 3HD1 ILE 48 3HD1 ILE 48 -3.276 8.132 24.971 321 H LEU 49 H LEU 49 -8.781 6.437 23.517 322 HA LEU 49 HA LEU 49 -10.868 7.867 24.599 323 1HB LEU 49 1HB LEU 49 -11.201 6.923 22.485 324 2HB LEU 49 2HB LEU 49 -10.684 5.321 23.010 325 HG LEU 49 HG LEU 49 -13.125 6.467 24.295 326 1HD1 LEU 49 1HD1 LEU 49 -12.865 6.353 21.469 327 2HD1 LEU 49 2HD1 LEU 49 -13.876 4.987 21.944 328 3HD1 LEU 49 3HD1 LEU 49 -14.335 6.627 22.404 329 1HD2 LEU 49 1HD2 LEU 49 -11.772 4.006 24.219 330 2HD2 LEU 49 2HD2 LEU 49 -13.354 4.315 24.933 331 3HD2 LEU 49 3HD2 LEU 49 -13.235 3.754 23.266 332 H GLU 50 H GLU 50 -9.675 4.762 25.742 333 HA GLU 50 HA GLU 50 -11.988 4.216 27.453 334 1HB GLU 50 1HB GLU 50 -10.156 2.667 26.336 335 2HB GLU 50 2HB GLU 50 -9.253 3.025 27.808 336 1HG GLU 50 1HG GLU 50 -10.417 1.259 28.660 337 2HG GLU 50 2HG GLU 50 -11.711 2.443 28.844 338 H ALA 51 H ALA 51 -8.564 5.084 28.111 339 HA ALA 51 HA ALA 51 -8.762 5.482 30.889 340 1HB ALA 51 1HB ALA 51 -7.079 7.462 29.616 341 2HB ALA 51 2HB ALA 51 -6.939 5.916 28.777 342 3HB ALA 51 3HB ALA 51 -6.599 6.016 30.505 343 H ALA 52 H ALA 52 -9.487 7.727 28.246 344 HA ALA 52 HA ALA 52 -10.156 9.943 30.029 345 1HB ALA 52 1HB ALA 52 -9.921 9.338 27.164 346 2HB ALA 52 3HB ALA 52 -11.233 10.459 27.530 347 3HB ALA 52 2HB ALA 52 -9.583 10.843 28.020 348 H GLU 53 H GLU 53 -11.865 7.277 28.524 349 HA GLU 53 HA GLU 53 -14.537 8.295 28.677 350 1HB GLU 53 1HB GLU 53 -13.113 5.836 28.133 351 2HB GLU 53 2HB GLU 53 -14.532 5.500 29.122 352 1HG GLU 53 1HG GLU 53 -14.766 7.325 26.743 353 2HG GLU 53 2HG GLU 53 -14.786 5.577 26.514 354 H ALA 54 H ALA 54 -12.411 6.794 31.049 355 HA ALA 54 HA ALA 54 -14.457 6.329 33.058 356 1HB ALA 54 1HB ALA 54 -11.616 6.759 33.820 357 2HB ALA 54 3HB ALA 54 -11.909 5.510 32.610 358 3HB ALA 54 2HB ALA 54 -12.684 5.406 34.190 359 H GLN 55 H GLN 55 -13.028 9.162 31.874 360 HA GLN 55 HA GLN 55 -13.359 10.609 34.471 361 1HB GLN 55 2HB GLN 55 -12.019 11.365 31.853 362 2HB GLN 55 1HB GLN 55 -11.987 12.327 33.330 363 1HG GLN 55 1HG GLN 55 -10.948 10.327 34.488 364 2HG GLN 55 2HG GLN 55 -10.790 9.578 32.900 365 2HE2 GLN 55 2HE2 GLN 55 -9.305 11.775 35.099 366 1HE2 GLN 55 1HE2 GLN 55 -8.118 12.376 34.045 367 H GLY 56 H GLY 56 -14.715 10.216 31.297 368 1HA GLY 56 2HA GLY 56 -16.699 12.349 31.932 369 2HA GLY 56 1HA GLY 56 -17.002 10.978 30.865 370 H TYR 57 H TYR 57 -14.130 11.519 29.801 371 HA TYR 57 HA TYR 57 -14.259 14.087 28.455 372 1HB TYR 57 1HB TYR 57 -12.633 11.551 28.134 373 2HB TYR 57 2HB TYR 57 -12.345 12.990 27.159 374 HD1 TYR 57 HD1 TYR 57 -13.586 13.926 30.352 375 HD2 TYR 57 HD2 TYR 57 -10.010 12.642 28.347 376 HE1 TYR 57 HE1 TYR 57 -12.215 14.886 32.181 377 HE2 TYR 57 HE2 TYR 57 -8.641 13.603 30.177 378 HH TYR 57 HH TYR 57 -9.786 14.367 33.124 379 H ASP 58 H ASP 58 -15.072 14.539 26.406 380 HA ASP 58 HA ASP 58 -16.661 12.393 25.094 381 1HB ASP 58 1HB ASP 58 -17.468 14.760 25.755 382 2HB ASP 58 2HB ASP 58 -16.521 15.325 24.377 383 H TRP 59 H TRP 59 -16.236 11.729 22.968 384 HA TRP 59 HA TRP 59 -13.916 12.990 21.561 385 1HB TRP 59 2HB TRP 59 -14.418 10.034 22.052 386 2HB TRP 59 1HB TRP 59 -13.073 10.698 21.124 387 HD1 TRP 59 HD1 TRP 59 -14.419 10.413 24.680 388 HE1 TRP 59 HE1 TRP 59 -12.542 11.022 26.334 389 HE3 TRP 59 HE3 TRP 59 -10.837 12.017 21.410 390 HZ2 TRP 59 HZ2 TRP 59 -9.872 12.041 26.285 391 HZ3 TRP 59 HZ3 TRP 59 -8.637 12.798 22.242 392 HH2 TRP 59 HH2 TRP 59 -8.151 12.812 24.673 393 HA PRO 60 HA PRO 60 -16.390 12.650 17.967 394 1HB PRO 60 1HB PRO 60 -14.580 11.895 16.049 395 2HB PRO 60 2HB PRO 60 -14.648 13.530 16.736 396 1HG PRO 60 2HG PRO 60 -12.821 11.264 17.396 397 2HG PRO 60 1HG PRO 60 -12.463 12.990 17.242 398 1HD PRO 60 1HD PRO 60 -12.766 11.749 19.638 399 2HD PRO 60 2HD PRO 60 -13.171 13.458 19.378 400 H PHE 61 H PHE 61 -17.841 11.057 17.518 401 HA PHE 61 HA PHE 61 -18.751 8.903 17.197 402 1HB PHE 61 1HB PHE 61 -16.120 9.040 15.787 403 2HB PHE 61 2HB PHE 61 -16.915 7.468 15.881 404 HD1 PHE 61 HD1 PHE 61 -19.441 7.396 15.240 405 HD2 PHE 61 HD2 PHE 61 -16.777 10.583 14.143 406 HE1 PHE 61 HE1 PHE 61 -20.993 8.070 13.427 407 HE2 PHE 61 HE2 PHE 61 -18.330 11.257 12.330 408 HZ PHE 61 HZ PHE 61 -20.438 10.000 11.973 409 H SER 62 H SER 62 -18.220 6.460 17.620 410 HA SER 62 HA SER 62 -16.255 6.100 19.833 411 1HB SER 62 1HB SER 62 -19.208 6.173 19.964 412 2HB SER 62 2HB SER 62 -18.472 4.796 20.784 413 HG SER 62 HG SER 62 -16.978 6.644 21.563 414 H CYS 63 H CYS 63 -15.530 4.958 17.614 415 HA CYS 63 HA CYS 63 -16.643 2.700 16.484 416 1HB CYS 63 1HB CYS 63 -13.870 3.540 17.251 417 2HB CYS 63 2HB CYS 63 -14.099 1.914 16.608 418 H ARG 64 H ARG 64 -17.088 0.604 17.148 419 HA ARG 64 HA ARG 64 -16.451 -0.072 19.997 420 1HB ARG 64 1HB ARG 64 -18.699 -0.659 18.088 421 2HB ARG 64 2HB ARG 64 -18.416 -1.737 19.455 422 1HG ARG 64 1HG ARG 64 -19.335 -0.262 20.891 423 2HG ARG 64 2HG ARG 64 -18.298 1.036 20.296 424 1HD ARG 64 1HD ARG 64 -19.927 1.858 18.906 425 2HD ARG 64 2HD ARG 64 -20.501 0.238 18.469 426 HE ARG 64 HE ARG 64 -21.054 1.379 21.184 427 1HH1 ARG 64 1HH1 ARG 64 -21.846 -1.356 19.745 428 2HH1 ARG 64 2HH1 ARG 64 -23.547 -1.079 19.577 429 1HH2 ARG 64 1HH2 ARG 64 -23.338 2.302 20.318 430 2HH2 ARG 64 2HH2 ARG 64 -24.391 0.992 19.902 431 H ALA 65 H ALA 65 -17.253 -2.009 17.094 432 HA ALA 65 HA ALA 65 -15.001 -3.843 17.815 433 1HB ALA 65 1HB ALA 65 -17.379 -4.289 15.989 434 2HB ALA 65 3HB ALA 65 -16.315 -5.520 16.669 435 3HB ALA 65 2HB ALA 65 -17.409 -4.621 17.720 436 H GLY 66 H GLY 66 -15.680 -1.349 15.686 437 1HA GLY 66 2HA GLY 66 -15.092 -1.865 13.131 438 2HA GLY 66 1HA GLY 66 -13.538 -2.270 13.859 439 H ALA 67 H ALA 67 -12.455 -0.517 12.827 440 HA ALA 67 HA ALA 67 -12.750 2.062 14.220 441 1HB ALA 67 1HB ALA 67 -10.639 0.628 13.393 442 2HB ALA 67 2HB ALA 67 -10.866 1.610 11.946 443 3HB ALA 67 3HB ALA 67 -10.574 2.388 13.501 444 H CYS 68 H CYS 68 -12.929 4.099 12.977 445 HA CYS 68 HA CYS 68 -14.625 3.759 10.533 446 1HB CYS 68 1HB CYS 68 -15.475 5.992 11.180 447 2HB CYS 68 2HB CYS 68 -15.619 4.851 12.517 448 H ALA 69 H ALA 69 -11.748 3.621 10.317 449 HA ALA 69 HA ALA 69 -10.096 4.506 8.869 450 1HB ALA 69 1HB ALA 69 -12.539 5.208 7.838 451 2HB ALA 69 3HB ALA 69 -10.997 5.561 7.055 452 3HB ALA 69 2HB ALA 69 -11.784 6.788 8.049 453 H ASN 70 H ASN 70 -9.261 5.134 11.161 454 HA ASN 70 HA ASN 70 -8.062 6.747 12.412 455 1HB ASN 70 1HB ASN 70 -8.314 7.683 9.708 456 2HB ASN 70 2HB ASN 70 -8.465 9.061 10.797 457 2HD2 ASN 70 2HD2 ASN 70 -6.216 9.469 9.626 458 1HD2 ASN 70 1HD2 ASN 70 -4.855 8.838 10.419 459 H CYS 71 H CYS 71 -8.822 7.817 14.200 460 HA CYS 71 HA CYS 71 -11.615 8.531 14.458 461 1HB CYS 71 1HB CYS 71 -9.621 7.836 16.133 462 2HB CYS 71 2HB CYS 71 -9.533 9.587 16.316 463 H ALA 72 H ALA 72 -10.719 11.030 16.068 464 HA ALA 72 HA ALA 72 -10.167 12.911 13.823 465 1HB ALA 72 1HB ALA 72 -12.725 12.310 14.786 466 2HB ALA 72 3HB ALA 72 -12.312 13.836 15.568 467 3HB ALA 72 2HB ALA 72 -12.284 13.711 13.810 468 H SER 73 H SER 73 -8.107 13.045 15.122 469 HA SER 73 HA SER 73 -8.420 15.018 17.350 470 1HB SER 73 1HB SER 73 -8.082 12.504 17.984 471 2HB SER 73 2HB SER 73 -6.421 12.763 17.451 472 HG SER 73 HG SER 73 -7.829 14.153 19.476 473 H ILE 74 H ILE 74 -5.865 15.584 17.939 474 HA ILE 74 HA ILE 74 -4.300 15.863 15.429 475 HB ILE 74 HB ILE 74 -5.462 18.109 17.096 476 1HG1 ILE 74 1HG1 ILE 74 -6.879 17.144 15.290 477 2HG1 ILE 74 2HG1 ILE 74 -6.424 18.814 14.960 478 1HG2 ILE 74 1HG2 ILE 74 -2.976 18.354 16.431 479 2HG2 ILE 74 2HG2 ILE 74 -3.569 18.461 14.773 480 3HG2 ILE 74 3HG2 ILE 74 -4.071 19.657 15.968 481 1HD1 ILE 74 1HD1 ILE 74 -4.427 17.812 13.662 482 2HD1 ILE 74 2HD1 ILE 74 -5.316 16.290 13.727 483 3HD1 ILE 74 3HD1 ILE 74 -6.020 17.689 12.914 484 H VAL 75 H VAL 75 -2.784 14.479 16.633 485 HA VAL 75 HA VAL 75 -1.739 15.036 19.219 486 HB VAL 75 HB VAL 75 -1.457 12.963 17.844 487 1HG1 VAL 75 1HG1 VAL 75 -0.650 14.710 15.876 488 2HG1 VAL 75 2HG1 VAL 75 0.887 14.042 16.427 489 3HG1 VAL 75 3HG1 VAL 75 -0.382 12.966 15.844 490 1HG2 VAL 75 1HG2 VAL 75 0.914 14.399 19.022 491 2HG2 VAL 75 2HG2 VAL 75 0.006 13.039 19.682 492 3HG2 VAL 75 3HG2 VAL 75 1.103 12.791 18.324 493 H LYS 76 H LYS 76 -0.639 16.863 19.865 494 HA LYS 76 HA LYS 76 0.529 18.684 17.873 495 1HB LYS 76 1HB LYS 76 -0.713 19.022 20.234 496 2HB LYS 76 2HB LYS 76 0.953 18.986 20.812 497 1HG LYS 76 1HG LYS 76 1.005 20.612 18.519 498 2HG LYS 76 2HG LYS 76 -0.445 21.098 19.396 499 1HD LYS 76 1HD LYS 76 0.760 22.043 21.066 500 2HD LYS 76 2HD LYS 76 1.863 20.668 21.153 501 1HE LYS 76 1HE LYS 76 2.219 22.213 18.688 502 2HE LYS 76 2HE LYS 76 2.513 23.177 20.147 503 1HZ LYS 76 1HZ LYS 76 3.510 20.453 20.228 504 2HZ LYS 76 2HZ LYS 76 4.295 21.459 19.108 505 3HZ LYS 76 3HZ LYS 76 4.247 21.890 20.749 506 H GLU 77 H GLU 77 1.605 16.003 19.707 507 HA GLU 77 HA GLU 77 4.245 16.009 18.642 508 1HB GLU 77 1HB GLU 77 3.810 17.957 20.618 509 2HB GLU 77 2HB GLU 77 4.685 16.667 21.442 510 1HG GLU 77 1HG GLU 77 6.567 16.914 20.124 511 2HG GLU 77 2HG GLU 77 5.644 17.480 18.731 512 H GLY 78 H GLY 78 5.430 14.154 19.382 513 1HA GLY 78 2HA GLY 78 4.103 12.509 21.484 514 2HA GLY 78 1HA GLY 78 5.774 12.313 20.953 515 H GLU 79 H GLU 79 4.029 10.115 21.016 516 HA GLU 79 HA GLU 79 3.011 9.689 18.275 517 1HB GLU 79 1HB GLU 79 5.334 9.266 17.923 518 2HB GLU 79 2HB GLU 79 5.479 8.392 19.447 519 1HG GLU 79 1HG GLU 79 4.118 6.573 18.601 520 2HG GLU 79 2HG GLU 79 3.754 7.475 17.130 521 H ILE 80 H ILE 80 1.439 8.078 18.262 522 HA ILE 80 HA ILE 80 0.843 6.778 20.883 523 HB ILE 80 HB ILE 80 -0.771 7.246 18.354 524 1HG1 ILE 80 1HG1 ILE 80 -1.429 8.460 21.000 525 2HG1 ILE 80 2HG1 ILE 80 -0.050 9.126 20.124 526 1HG2 ILE 80 1HG2 ILE 80 -1.489 5.990 21.015 527 2HG2 ILE 80 2HG2 ILE 80 -2.697 6.586 19.876 528 3HG2 ILE 80 3HG2 ILE 80 -1.625 5.265 19.414 529 1HD1 ILE 80 1HD1 ILE 80 -2.510 8.639 18.528 530 2HD1 ILE 80 2HD1 ILE 80 -2.589 9.952 19.701 531 3HD1 ILE 80 3HD1 ILE 80 -1.357 9.970 18.440 532 H ASP 81 H ASP 81 -0.141 4.501 20.623 533 HA ASP 81 HA ASP 81 1.347 2.974 18.508 534 1HB ASP 81 1HB ASP 81 2.077 2.946 21.021 535 2HB ASP 81 2HB ASP 81 0.665 1.913 21.245 536 H MET 82 H MET 82 0.236 1.099 17.688 537 HA MET 82 HA MET 82 -2.443 0.403 18.653 538 1HB MET 82 1HB MET 82 -2.346 2.614 17.127 539 2HB MET 82 2HB MET 82 -2.391 1.406 15.841 540 1HG MET 82 1HG MET 82 -4.300 0.824 17.977 541 2HG MET 82 2HG MET 82 -4.594 2.393 17.226 542 1HE MET 82 1HE MET 82 -6.922 0.955 16.822 543 2HE MET 82 2HE MET 82 -7.021 -0.429 15.725 544 3HE MET 82 3HE MET 82 -6.184 -0.581 17.267 545 H ASP 83 H ASP 83 -3.469 -1.137 16.851 546 HA ASP 83 HA ASP 83 -1.577 -3.284 16.400 547 1HB ASP 83 1HB ASP 83 -4.128 -3.298 16.844 548 2HB ASP 83 2HB ASP 83 -4.295 -2.948 15.124 549 H MET 84 H MET 84 -1.293 -4.253 14.151 550 HA MET 84 HA MET 84 0.074 -2.650 12.359 551 1HB MET 84 1HB MET 84 -0.136 -5.122 12.296 552 2HB MET 84 2HB MET 84 -1.795 -4.958 11.720 553 1HG MET 84 1HG MET 84 -0.409 -3.355 9.957 554 2HG MET 84 2HG MET 84 0.739 -4.662 10.251 555 1HE MET 84 1HE MET 84 0.893 -5.191 8.198 556 2HE MET 84 2HE MET 84 0.410 -6.885 8.242 557 3HE MET 84 3HE MET 84 -0.295 -5.806 7.040 558 H GLN 85 H GLN 85 -0.487 -1.088 10.864 559 HA GLN 85 HA GLN 85 -3.254 -0.929 9.834 560 1HB GLN 85 1HB GLN 85 -3.382 1.467 10.681 561 2HB GLN 85 2HB GLN 85 -3.454 0.230 11.936 562 1HG GLN 85 1HG GLN 85 -1.744 1.339 12.919 563 2HG GLN 85 2HG GLN 85 -0.728 0.681 11.638 564 2HE2 GLN 85 2HE2 GLN 85 -2.738 3.531 12.475 565 1HE2 GLN 85 1HE2 GLN 85 -1.928 4.603 11.440 566 H GLN 86 H GLN 86 -3.381 0.402 7.948 567 HA GLN 86 HA GLN 86 -1.014 1.914 7.056 568 1HB GLN 86 1HB GLN 86 -0.949 -0.731 6.613 569 2HB GLN 86 2HB GLN 86 -1.925 -0.262 5.220 570 1HG GLN 86 1HG GLN 86 0.030 1.631 5.117 571 2HG GLN 86 2HG GLN 86 0.931 0.276 5.797 572 2HE2 GLN 86 2HE2 GLN 86 -0.834 1.393 2.939 573 1HE2 GLN 86 1HE2 GLN 86 -0.357 0.116 1.926 574 H ILE 87 H ILE 87 -3.304 3.169 7.457 575 HA ILE 87 HA ILE 87 -4.665 3.314 4.785 576 HB ILE 87 HB ILE 87 -5.750 3.903 7.559 577 1HG1 ILE 87 1HG1 ILE 87 -6.321 1.539 5.749 578 2HG1 ILE 87 2HG1 ILE 87 -5.199 1.484 7.108 579 1HG2 ILE 87 1HG2 ILE 87 -7.005 3.800 4.804 580 2HG2 ILE 87 2HG2 ILE 87 -7.948 3.782 6.294 581 3HG2 ILE 87 3HG2 ILE 87 -6.943 5.178 5.903 582 1HD1 ILE 87 1HD1 ILE 87 -7.303 2.515 8.396 583 2HD1 ILE 87 2HD1 ILE 87 -8.179 1.680 7.112 584 3HD1 ILE 87 3HD1 ILE 87 -7.112 0.775 8.186 585 H LEU 88 H LEU 88 -4.278 5.334 7.733 586 HA LEU 88 HA LEU 88 -4.555 7.844 6.429 587 1HB LEU 88 1HB LEU 88 -3.331 8.638 8.511 588 2HB LEU 88 2HB LEU 88 -4.720 7.598 8.826 589 HG LEU 88 HG LEU 88 -2.353 5.987 8.429 590 1HD1 LEU 88 1HD1 LEU 88 -1.369 8.227 9.293 591 2HD1 LEU 88 2HD1 LEU 88 -2.163 7.825 10.816 592 3HD1 LEU 88 3HD1 LEU 88 -0.929 6.752 10.154 593 1HD2 LEU 88 1HD2 LEU 88 -4.698 5.890 9.854 594 2HD2 LEU 88 2HD2 LEU 88 -3.335 4.800 10.102 595 3HD2 LEU 88 3HD2 LEU 88 -3.522 6.223 11.126 596 H SER 89 H SER 89 -2.862 9.406 5.868 597 HA SER 89 HA SER 89 -0.480 8.095 4.675 598 1HB SER 89 1HB SER 89 -2.277 10.019 3.854 599 2HB SER 89 2HB SER 89 -0.893 10.994 4.352 600 HG SER 89 HG SER 89 -0.711 10.344 2.183 601 H ASP 90 H ASP 90 1.625 8.560 5.359 602 HA ASP 90 HA ASP 90 2.219 9.314 7.981 603 1HB ASP 90 1HB ASP 90 3.749 8.254 6.338 604 2HB ASP 90 2HB ASP 90 3.854 9.785 5.469 605 H GLU 91 H GLU 91 2.224 11.415 5.100 606 HA GLU 91 HA GLU 91 2.968 13.848 6.335 607 1HB GLU 91 1HB GLU 91 1.318 13.019 3.961 608 2HB GLU 91 2HB GLU 91 1.416 14.728 4.386 609 1HG GLU 91 1HG GLU 91 3.904 14.556 4.344 610 2HG GLU 91 2HG GLU 91 3.754 12.880 3.815 611 H GLU 92 H GLU 92 0.007 12.036 6.526 612 HA GLU 92 HA GLU 92 -1.727 14.214 7.355 613 1HB GLU 92 1HB GLU 92 -2.011 11.634 6.498 614 2HB GLU 92 2HB GLU 92 -2.281 11.438 8.230 615 1HG GLU 92 1HG GLU 92 -3.930 13.352 8.093 616 2HG GLU 92 2HG GLU 92 -3.765 13.282 6.338 617 H VAL 93 H VAL 93 0.098 11.674 9.083 618 HA VAL 93 HA VAL 93 -0.742 12.507 11.727 619 HB VAL 93 HB VAL 93 1.519 10.833 10.600 620 1HG1 VAL 93 1HG1 VAL 93 0.975 11.750 13.376 621 2HG1 VAL 93 2HG1 VAL 93 1.373 10.044 13.178 622 3HG1 VAL 93 3HG1 VAL 93 2.500 11.281 12.625 623 1HG2 VAL 93 1HG2 VAL 93 -1.164 10.313 10.802 624 2HG2 VAL 93 2HG2 VAL 93 0.091 9.074 10.805 625 3HG2 VAL 93 3HG2 VAL 93 -0.567 9.665 12.330 626 H GLU 94 H GLU 94 1.726 13.554 9.498 627 HA GLU 94 HA GLU 94 3.156 15.085 11.615 628 1HB GLU 94 1HB GLU 94 3.758 13.814 9.085 629 2HB GLU 94 2HB GLU 94 4.261 15.505 9.043 630 1HG GLU 94 1HG GLU 94 5.113 14.770 11.534 631 2HG GLU 94 2HG GLU 94 5.322 13.259 10.648 632 H GLU 95 H GLU 95 1.436 15.575 8.524 633 HA GLU 95 HA GLU 95 1.559 18.511 8.819 634 1HB GLU 95 1HB GLU 95 1.595 16.818 6.710 635 2HB GLU 95 2HB GLU 95 -0.134 17.162 6.775 636 1HG GLU 95 1HG GLU 95 0.149 19.310 6.086 637 2HG GLU 95 2HG GLU 95 1.582 19.539 7.089 638 H LYS 96 H LYS 96 -0.809 15.885 9.110 639 HA LYS 96 HA LYS 96 -2.943 17.850 9.792 640 1HB LYS 96 1HB LYS 96 -2.759 15.357 8.421 641 2HB LYS 96 2HB LYS 96 -3.768 15.100 9.844 642 1HG LYS 96 2HG LYS 96 -5.466 16.052 8.706 643 2HG LYS 96 1HG LYS 96 -4.587 17.578 8.803 644 1HD LYS 96 1HD LYS 96 -3.993 15.541 6.653 645 2HD LYS 96 2HD LYS 96 -5.247 16.763 6.449 646 1HE LYS 96 1HE LYS 96 -2.858 18.029 7.455 647 2HE LYS 96 2HE LYS 96 -2.465 17.086 6.005 648 1HZ LYS 96 1HZ LYS 96 -4.673 18.063 5.132 649 2HZ LYS 96 2HZ LYS 96 -4.459 19.238 6.338 650 3HZ LYS 96 3HZ LYS 96 -3.290 19.049 5.121 651 H ASP 97 H ASP 97 -0.653 15.817 11.304 652 HA ASP 97 HA ASP 97 -0.369 15.154 13.558 653 1HB ASP 97 1HB ASP 97 -1.985 17.650 13.487 654 2HB ASP 97 2HB ASP 97 -1.958 16.786 15.026 655 H VAL 98 H VAL 98 -2.847 14.216 11.846 656 HA VAL 98 HA VAL 98 -4.826 13.569 13.918 657 HB VAL 98 HB VAL 98 -5.344 14.109 11.528 658 1HG1 VAL 98 1HG1 VAL 98 -3.419 11.941 11.150 659 2HG1 VAL 98 2HG1 VAL 98 -4.906 11.682 10.239 660 3HG1 VAL 98 3HG1 VAL 98 -3.972 13.159 10.001 661 1HG2 VAL 98 1HG2 VAL 98 -6.733 12.548 13.095 662 2HG2 VAL 98 2HG2 VAL 98 -7.113 12.571 11.373 663 3HG2 VAL 98 3HG2 VAL 98 -6.151 11.254 12.045 664 H ARG 99 H ARG 99 -5.508 11.210 14.132 665 HA ARG 99 HA ARG 99 -3.779 9.025 13.502 666 1HB ARG 99 1HB ARG 99 -2.577 10.717 15.244 667 2HB ARG 99 2HB ARG 99 -3.440 9.686 16.385 668 1HG ARG 99 1HG ARG 99 -2.143 7.868 15.918 669 2HG ARG 99 2HG ARG 99 -2.045 8.255 14.201 670 1HD ARG 99 1HD ARG 99 -0.354 9.967 14.638 671 2HD ARG 99 2HD ARG 99 -0.518 9.720 16.387 672 HE ARG 99 HE ARG 99 0.964 7.906 16.078 673 1HH1 ARG 99 1HH1 ARG 99 -1.228 6.235 14.908 674 2HH1 ARG 99 2HH1 ARG 99 -0.560 5.776 13.378 675 1HH2 ARG 99 1HH2 ARG 99 1.902 8.217 13.424 676 2HH2 ARG 99 2HH2 ARG 99 1.213 6.899 12.537 677 H LEU 100 H LEU 100 -4.193 7.239 15.462 678 HA LEU 100 HA LEU 100 -7.163 7.200 15.751 679 1HB LEU 100 1HB LEU 100 -5.312 5.384 14.820 680 2HB LEU 100 2HB LEU 100 -5.567 4.828 16.474 681 HG LEU 100 HG LEU 100 -8.090 5.549 15.240 682 1HD1 LEU 100 1HD1 LEU 100 -6.191 4.303 13.492 683 2HD1 LEU 100 2HD1 LEU 100 -7.440 3.124 13.890 684 3HD1 LEU 100 3HD1 LEU 100 -7.887 4.674 13.178 685 1HD2 LEU 100 1HD2 LEU 100 -6.871 3.464 16.879 686 2HD2 LEU 100 2HD2 LEU 100 -8.541 4.033 16.852 687 3HD2 LEU 100 3HD2 LEU 100 -8.011 2.801 15.708 688 H THR 101 H THR 101 -8.052 7.488 17.762 689 HA THR 101 HA THR 101 -6.233 7.291 20.142 690 HB THR 101 HB THR 101 -8.246 8.885 20.960 691 HG1 THR 101 HG1 THR 101 -9.285 8.678 18.913 692 1HG2 THR 101 1HG2 THR 101 -5.644 9.330 19.641 693 2HG2 THR 101 2HG2 THR 101 -6.718 10.728 19.648 694 3HG2 THR 101 3HG2 THR 101 -6.256 9.962 21.169 695 H CYS 102 H CYS 102 -9.166 6.161 18.669 696 HA CYS 102 HA CYS 102 -10.641 5.358 20.979 697 1HB CYS 102 1HB CYS 102 -10.478 4.659 18.080 698 2HB CYS 102 2HB CYS 102 -11.391 3.574 19.129 699 H ILE 103 H ILE 103 -9.525 2.769 18.892 700 HA ILE 103 HA ILE 103 -8.674 1.232 21.269 701 HB ILE 103 HB ILE 103 -8.709 0.470 18.332 702 1HG1 ILE 103 1HG1 ILE 103 -10.937 -0.369 20.086 703 2HG1 ILE 103 2HG1 ILE 103 -10.904 1.352 19.705 704 1HG2 ILE 103 1HG2 ILE 103 -8.105 -0.896 20.838 705 2HG2 ILE 103 2HG2 ILE 103 -9.399 -1.699 19.948 706 3HG2 ILE 103 3HG2 ILE 103 -7.833 -1.433 19.180 707 1HD1 ILE 103 1HD1 ILE 103 -10.322 0.095 17.276 708 2HD1 ILE 103 2HD1 ILE 103 -11.589 -0.903 17.991 709 3HD1 ILE 103 3HD1 ILE 103 -11.865 0.820 17.731 710 H GLY 104 H GLY 104 -6.766 2.816 21.546 711 1HA GLY 104 2HA GLY 104 -4.656 3.222 19.815 712 2HA GLY 104 1HA GLY 104 -4.380 1.585 20.411 713 H SER 105 H SER 105 -2.506 2.168 21.597 714 HA SER 105 HA SER 105 -3.048 3.832 24.035 715 1HB SER 105 1HB SER 105 -1.129 2.323 24.916 716 2HB SER 105 2HB SER 105 -2.704 1.570 24.667 717 HG SER 105 HG SER 105 -0.582 0.656 23.708 718 HA PRO 106 HA PRO 106 0.172 6.496 22.649 719 1HB PRO 106 1HB PRO 106 0.941 7.550 25.057 720 2HB PRO 106 2HB PRO 106 -0.564 8.007 24.236 721 1HG PRO 106 1HG PRO 106 -0.131 6.106 26.493 722 2HG PRO 106 2HG PRO 106 -1.435 7.276 26.242 723 1HD PRO 106 1HD PRO 106 -1.698 4.605 25.760 724 2HD PRO 106 2HD PRO 106 -2.620 5.848 24.889 725 H ALA 107 H ALA 107 2.321 6.112 22.195 726 HA ALA 107 HA ALA 107 3.737 4.032 23.781 727 1HB ALA 107 1HB ALA 107 3.381 4.414 21.115 728 2HB ALA 107 3HB ALA 107 4.921 5.243 21.344 729 3HB ALA 107 2HB ALA 107 4.761 3.544 21.786 730 H ALA 108 H ALA 108 4.752 7.038 22.144 731 HA ALA 108 HA ALA 108 7.111 7.530 23.570 732 1HB ALA 108 1HB ALA 108 6.388 8.789 21.609 733 2HB ALA 108 3HB ALA 108 6.644 9.919 22.939 734 3HB ALA 108 2HB ALA 108 5.007 9.437 22.494 735 H ASP 109 H ASP 109 7.563 8.813 25.466 736 HA ASP 109 HA ASP 109 5.836 8.423 27.701 737 1HB ASP 109 1HB ASP 109 8.356 9.775 27.014 738 2HB ASP 109 2HB ASP 109 7.492 10.538 28.349 739 H GLU 110 H GLU 110 6.823 11.686 26.686 740 HA GLU 110 HA GLU 110 4.189 12.738 27.505 741 1HB GLU 110 1HB GLU 110 6.627 13.647 27.897 742 2HB GLU 110 2HB GLU 110 6.435 14.317 26.278 743 1HG GLU 110 1HG GLU 110 4.810 15.806 26.939 744 2HG GLU 110 2HG GLU 110 4.186 14.730 28.189 745 H VAL 111 H VAL 111 2.558 12.804 26.010 746 HA VAL 111 HA VAL 111 3.277 13.429 23.165 747 HB VAL 111 HB VAL 111 1.192 11.490 24.223 748 1HG1 VAL 111 1HG1 VAL 111 2.115 12.138 21.407 749 2HG1 VAL 111 2HG1 VAL 111 1.004 10.837 21.832 750 3HG1 VAL 111 3HG1 VAL 111 0.537 12.516 22.097 751 1HG2 VAL 111 1HG2 VAL 111 4.033 11.222 23.657 752 2HG2 VAL 111 2HG2 VAL 111 2.928 10.056 24.386 753 3HG2 VAL 111 3HG2 VAL 111 3.073 10.155 22.632 754 H LYS 112 H LYS 112 2.329 15.358 22.631 755 HA LYS 112 HA LYS 112 -0.041 16.301 24.153 756 1HB LYS 112 1HB LYS 112 2.073 17.461 22.368 757 2HB LYS 112 2HB LYS 112 0.563 18.348 22.579 758 1HG LYS 112 1HG LYS 112 1.120 18.976 24.678 759 2HG LYS 112 2HG LYS 112 1.610 17.337 25.113 760 1HD LYS 112 1HD LYS 112 3.805 17.748 24.675 761 2HD LYS 112 2HD LYS 112 3.436 18.701 23.236 762 1HE LYS 112 1HE LYS 112 2.529 20.446 25.031 763 2HE LYS 112 2HE LYS 112 3.664 19.590 26.092 764 1HZ LYS 112 1HZ LYS 112 5.228 19.777 24.057 765 2HZ LYS 112 2HZ LYS 112 4.199 21.040 23.576 766 3HZ LYS 112 3HZ LYS 112 5.024 21.134 25.056 767 H ILE 113 H ILE 113 -2.042 16.695 23.151 768 HA ILE 113 HA ILE 113 -2.375 16.409 20.247 769 HB ILE 113 HB ILE 113 -2.213 14.084 21.028 770 1HG1 ILE 113 1HG1 ILE 113 -5.155 14.456 20.639 771 2HG1 ILE 113 2HG1 ILE 113 -4.071 15.007 19.361 772 1HG2 ILE 113 1HG2 ILE 113 -3.269 14.999 23.357 773 2HG2 ILE 113 2HG2 ILE 113 -4.702 14.275 22.629 774 3HG2 ILE 113 3HG2 ILE 113 -3.261 13.295 22.902 775 1HD1 ILE 113 1HD1 ILE 113 -3.459 12.327 20.459 776 2HD1 ILE 113 2HD1 ILE 113 -4.981 12.442 19.577 777 3HD1 ILE 113 3HD1 ILE 113 -3.467 12.882 18.786 778 H VAL 114 H VAL 114 -4.691 16.756 19.635 779 HA VAL 114 HA VAL 114 -6.169 18.291 21.746 780 HB VAL 114 HB VAL 114 -5.947 18.772 18.757 781 1HG1 VAL 114 1HG1 VAL 114 -8.081 19.453 20.160 782 2HG1 VAL 114 2HG1 VAL 114 -7.031 20.749 20.731 783 3HG1 VAL 114 3HG1 VAL 114 -7.376 20.586 19.009 784 1HG2 VAL 114 1HG2 VAL 114 -4.287 19.536 21.010 785 2HG2 VAL 114 2HG2 VAL 114 -4.012 19.800 19.288 786 3HG2 VAL 114 3HG2 VAL 114 -4.960 20.961 20.218 787 H TYR 115 H TYR 115 -8.161 17.405 22.168 788 HA TYR 115 HA TYR 115 -9.229 15.333 20.355 789 1HB TYR 115 1HB TYR 115 -10.202 14.552 22.273 790 2HB TYR 115 2HB TYR 115 -9.050 15.622 23.062 791 HD1 TYR 115 HD1 TYR 115 -9.890 18.170 23.275 792 HD2 TYR 115 HD2 TYR 115 -12.438 14.736 22.853 793 HE1 TYR 115 HE1 TYR 115 -11.769 19.445 24.256 794 HE2 TYR 115 HE2 TYR 115 -14.322 16.016 23.836 795 HH TYR 115 HH TYR 115 -14.359 19.305 24.115 796 H ASN 116 H ASN 116 -11.572 15.413 19.749 797 HA ASN 116 HA ASN 116 -13.524 16.518 18.974 798 1HB ASN 116 1HB ASN 116 -12.543 18.121 21.045 799 2HB ASN 116 2HB ASN 116 -12.727 19.233 19.690 800 2HD2 ASN 116 2HD2 ASN 116 -14.486 19.691 21.729 801 1HD2 ASN 116 1HD2 ASN 116 -16.038 19.115 21.353 802 H ALA 117 H ALA 117 -11.880 15.917 17.058 803 HA ALA 117 HA ALA 117 -10.730 18.231 15.662 804 1HB ALA 117 1HB ALA 117 -9.804 15.899 15.665 805 2HB ALA 117 3HB ALA 117 -10.093 16.517 14.039 806 3HB ALA 117 2HB ALA 117 -11.224 15.374 14.761 807 H LYS 118 H LYS 118 -13.860 17.308 16.093 808 HA LYS 118 HA LYS 118 -14.902 17.403 13.384 809 1HB LYS 118 2HB LYS 118 -16.244 17.970 16.048 810 2HB LYS 118 1HB LYS 118 -17.044 17.481 14.554 811 1HG LYS 118 1HG LYS 118 -16.096 15.304 14.634 812 2HG LYS 118 2HG LYS 118 -14.899 15.783 15.837 813 1HD LYS 118 2HD LYS 118 -16.612 14.542 16.994 814 2HD LYS 118 1HD LYS 118 -16.821 16.239 17.422 815 1HE LYS 118 1HE LYS 118 -18.691 16.485 15.955 816 2HE LYS 118 2HE LYS 118 -18.335 14.956 15.130 817 H HIS 119 H HIS 119 -13.846 19.779 15.658 818 HA HIS 119 HA HIS 119 -15.464 21.970 14.545 819 1HB HIS 119 2HB HIS 119 -13.077 22.023 16.417 820 2HB HIS 119 1HB HIS 119 -14.327 23.257 16.252 821 HD1 HIS 119 HD1 HIS 119 -16.866 22.316 16.817 822 HD2 HIS 119 HD2 HIS 119 -13.661 20.155 18.378 823 HE1 HIS 119 HE1 HIS 119 -17.806 20.885 18.682 824 H LEU 120 H LEU 120 -12.634 20.348 13.612 825 HA LEU 120 HA LEU 120 -10.855 22.340 12.733 826 1HB LEU 120 1HB LEU 120 -11.556 19.559 12.113 827 2HB LEU 120 2HB LEU 120 -10.868 20.412 10.731 828 HG LEU 120 HG LEU 120 -9.279 21.200 12.895 829 1HD1 LEU 120 1HD1 LEU 120 -10.415 19.262 14.110 830 2HD1 LEU 120 2HD1 LEU 120 -9.607 18.191 12.966 831 3HD1 LEU 120 3HD1 LEU 120 -8.654 19.200 14.053 832 1HD2 LEU 120 1HD2 LEU 120 -9.053 19.496 10.481 833 2HD2 LEU 120 2HD2 LEU 120 -8.043 20.843 11.007 834 3HD2 LEU 120 3HD2 LEU 120 -7.809 19.240 11.704 835 H ASP 121 H ASP 121 -10.646 23.428 10.666 836 HA ASP 121 HA ASP 121 -13.032 24.588 9.617 837 1HB ASP 121 1HB ASP 121 -11.458 25.458 7.902 838 2HB ASP 121 2HB ASP 121 -10.779 25.583 9.525 839 H TYR 122 H TYR 122 -11.643 21.510 9.046 840 HA TYR 122 HA TYR 122 -12.425 21.129 6.287 841 1HB TYR 122 1HB TYR 122 -10.745 19.860 7.783 842 2HB TYR 122 2HB TYR 122 -12.150 19.007 8.422 843 HD1 TYR 122 HD1 TYR 122 -10.101 19.631 5.409 844 HD2 TYR 122 HD2 TYR 122 -13.391 17.424 7.070 845 HE1 TYR 122 HE1 TYR 122 -10.090 18.127 3.436 846 HE2 TYR 122 HE2 TYR 122 -13.380 15.922 5.097 847 HH TYR 122 HH TYR 122 -10.969 15.510 3.116 848 H LEU 123 H LEU 123 -14.098 20.877 9.361 849 HA LEU 123 HA LEU 123 -16.476 19.693 7.974 850 1HB LEU 123 1HB LEU 123 -15.510 19.773 10.842 851 2HB LEU 123 2HB LEU 123 -17.123 19.211 10.404 852 HG LEU 123 HG LEU 123 -14.954 18.037 8.789 853 1HD1 LEU 123 1HD1 LEU 123 -14.353 18.301 11.462 854 2HD1 LEU 123 2HD1 LEU 123 -15.150 16.728 11.420 855 3HD1 LEU 123 3HD1 LEU 123 -13.732 17.025 10.415 856 1HD2 LEU 123 1HD2 LEU 123 -17.446 17.142 10.223 857 2HD2 LEU 123 2HD2 LEU 123 -17.078 17.079 8.499 858 3HD2 LEU 123 3HD2 LEU 123 -16.298 15.952 9.608 859 H GLN 124 H GLN 124 -15.370 22.377 10.009 860 HA GLN 124 HA GLN 124 -17.847 23.569 10.663 861 1HB GLN 124 1HB GLN 124 -15.436 24.131 11.358 862 2HB GLN 124 2HB GLN 124 -15.341 25.057 9.858 863 1HG GLN 124 2HG GLN 124 -16.112 26.733 11.234 864 2HG GLN 124 1HG GLN 124 -17.668 26.025 10.797 865 2HE2 GLN 124 2HE2 GLN 124 -15.926 27.039 13.451 866 1HE2 GLN 124 1HE2 GLN 124 -16.628 26.053 14.640 867 H ASN 125 H ASN 125 -15.823 24.041 7.768 868 HA ASN 125 HA ASN 125 -17.606 25.932 6.502 869 1HB ASN 125 1HB ASN 125 -15.043 24.913 6.150 870 2HB ASN 125 2HB ASN 125 -15.919 24.295 4.751 871 2HD2 ASN 125 2HD2 ASN 125 -17.715 26.377 4.215 872 1HD2 ASN 125 1HD2 ASN 125 -16.860 27.793 3.834 873 H ARG 126 H ARG 126 -17.928 22.617 7.078 874 HA ARG 126 HA ARG 126 -19.310 21.919 4.580 875 1HB ARG 126 1HB ARG 126 -17.939 20.359 6.002 876 2HB ARG 126 2HB ARG 126 -19.170 20.494 7.257 877 1HG ARG 126 1HG ARG 126 -20.508 19.920 4.806 878 2HG ARG 126 2HG ARG 126 -19.163 18.789 4.952 879 1HD ARG 126 1HD ARG 126 -19.926 18.166 7.223 880 2HD ARG 126 2HD ARG 126 -21.280 19.303 7.076 881 HE ARG 126 HE ARG 126 -21.407 17.716 4.776 882 1HH1 ARG 126 1HH1 ARG 126 -22.331 17.726 8.027 883 2HH1 ARG 126 2HH1 ARG 126 -22.915 16.096 8.036 884 1HH2 ARG 126 1HH2 ARG 126 -21.774 15.386 4.840 885 2HH2 ARG 126 2HH2 ARG 126 -22.598 14.770 6.234 886 H VAL 127 H VAL 127 -20.147 23.315 7.646 887 HA VAL 127 HA VAL 127 -22.928 22.512 7.724 888 HB VAL 127 HB VAL 127 -21.321 24.767 8.958 889 1HG1 VAL 127 1HG1 VAL 127 -24.180 23.885 9.430 890 2HG1 VAL 127 2HG1 VAL 127 -23.274 24.875 10.574 891 3HG1 VAL 127 3HG1 VAL 127 -23.619 25.488 8.957 892 1HG2 VAL 127 1HG2 VAL 127 -20.785 22.366 9.556 893 2HG2 VAL 127 2HG2 VAL 127 -21.288 23.365 10.919 894 3HG2 VAL 127 3HG2 VAL 127 -22.425 22.230 10.192 895 H ILE 128 H ILE 128 -24.769 23.922 7.273 896 HA ILE 128 HA ILE 128 -24.259 25.759 4.976 897 HB ILE 128 HB ILE 128 -26.889 24.682 6.020 898 1HG1 ILE 128 1HG1 ILE 128 -25.329 22.796 5.665 899 2HG1 ILE 128 2HG1 ILE 128 -26.602 22.806 4.444 900 1HG2 ILE 128 1HG2 ILE 128 -26.783 26.550 4.287 901 2HG2 ILE 128 2HG2 ILE 128 -26.035 25.379 3.200 902 3HG2 ILE 128 3HG2 ILE 128 -27.674 25.109 3.796 903 1HD1 ILE 128 1HD1 ILE 128 -24.644 24.419 3.322 904 2HD1 ILE 128 2HD1 ILE 128 -23.711 23.156 4.122 905 3HD1 ILE 128 3HD1 ILE 128 -24.929 22.726 2.921 No H/Q in entry = 905 Start of MODEL 11 1 H2 PRO 1 H2 PRO 1 3.895 8.002 30.849 2 H3 PRO 1 H3 PRO 1 5.005 7.328 29.750 3 HA PRO 1 HA PRO 1 3.648 7.904 28.105 4 1HB PRO 1 1HB PRO 1 1.371 6.423 28.435 5 2HB PRO 1 2HB PRO 1 2.919 5.720 27.930 6 1HG PRO 1 1HG PRO 1 1.626 5.743 30.613 7 2HG PRO 1 2HG PRO 1 2.541 4.456 29.814 8 1HD PRO 1 1HD PRO 1 3.579 6.069 31.756 9 2HD PRO 1 2HD PRO 1 4.558 5.300 30.492 10 H THR 2 H THR 2 3.427 10.112 29.215 11 HA THR 2 HA THR 2 0.690 10.588 30.320 12 HB THR 2 HB THR 2 3.342 12.039 30.394 13 HG1 THR 2 HG1 THR 2 3.052 11.726 32.599 14 1HG2 THR 2 1HG2 THR 2 1.484 13.668 29.996 15 2HG2 THR 2 2HG2 THR 2 0.695 13.066 31.454 16 3HG2 THR 2 3HG2 THR 2 2.260 13.871 31.566 17 H VAL 3 H VAL 3 -0.768 11.304 28.810 18 HA VAL 3 HA VAL 3 0.251 12.792 26.427 19 HB VAL 3 HB VAL 3 -2.216 11.173 27.082 20 1HG1 VAL 3 1HG1 VAL 3 -2.932 13.202 25.865 21 2HG1 VAL 3 2HG1 VAL 3 -1.724 12.879 24.621 22 3HG1 VAL 3 3HG1 VAL 3 -3.077 11.770 24.848 23 1HG2 VAL 3 1HG2 VAL 3 0.258 10.556 25.953 24 2HG2 VAL 3 2HG2 VAL 3 -1.204 9.575 25.843 25 3HG2 VAL 3 3HG2 VAL 3 -0.813 10.720 24.561 26 H GLU 4 H GLU 4 -1.225 14.604 25.673 27 HA GLU 4 HA GLU 4 -2.604 15.977 27.956 28 1HB GLU 4 1HB GLU 4 -0.121 16.620 27.091 29 2HB GLU 4 2HB GLU 4 -1.076 17.586 25.969 30 1HG GLU 4 1HG GLU 4 -2.126 18.788 27.733 31 2HG GLU 4 2HG GLU 4 -1.589 17.627 28.947 32 H TYR 5 H TYR 5 -4.721 16.153 27.283 33 HA TYR 5 HA TYR 5 -5.311 16.424 24.385 34 1HB TYR 5 1HB TYR 5 -7.596 15.927 25.115 35 2HB TYR 5 2HB TYR 5 -6.481 14.781 25.857 36 HD1 TYR 5 HD1 TYR 5 -8.454 17.875 26.452 37 HD2 TYR 5 HD2 TYR 5 -6.171 14.700 28.227 38 HE1 TYR 5 HE1 TYR 5 -9.240 18.565 28.701 39 HE2 TYR 5 HE2 TYR 5 -6.955 15.392 30.475 40 HH TYR 5 HH TYR 5 -9.155 16.712 31.325 41 H LEU 6 H LEU 6 -6.102 18.300 23.488 42 HA LEU 6 HA LEU 6 -6.772 20.579 25.317 43 1HB LEU 6 1HB LEU 6 -4.423 20.323 24.006 44 2HB LEU 6 2HB LEU 6 -5.372 21.098 22.741 45 HG LEU 6 HG LEU 6 -4.856 22.128 25.542 46 1HD1 LEU 6 1HD1 LEU 6 -3.376 22.409 23.255 47 2HD1 LEU 6 2HD1 LEU 6 -4.435 23.816 23.159 48 3HD1 LEU 6 3HD1 LEU 6 -3.403 23.584 24.571 49 1HD2 LEU 6 1HD2 LEU 6 -6.689 23.225 23.390 50 2HD2 LEU 6 2HD2 LEU 6 -7.206 22.527 24.925 51 3HD2 LEU 6 3HD2 LEU 6 -6.294 24.037 24.905 52 H ASN 7 H ASN 7 -8.874 21.144 24.844 53 HA ASN 7 HA ASN 7 -10.371 20.305 22.593 54 1HB ASN 7 1HB ASN 7 -11.943 22.029 23.358 55 2HB ASN 7 2HB ASN 7 -11.223 21.228 24.754 56 2HD2 ASN 7 2HD2 ASN 7 -12.314 23.954 24.767 57 1HD2 ASN 7 1HD2 ASN 7 -11.025 24.997 25.126 58 H TYR 8 H TYR 8 -10.124 20.897 20.471 59 HA TYR 8 HA TYR 8 -8.302 22.831 19.503 60 1HB TYR 8 1HB TYR 8 -9.089 21.158 18.029 61 2HB TYR 8 2HB TYR 8 -10.776 21.480 18.426 62 HD1 TYR 8 HD1 TYR 8 -7.849 22.612 16.494 63 HD2 TYR 8 HD2 TYR 8 -11.963 23.375 17.459 64 HE1 TYR 8 HE1 TYR 8 -8.003 24.189 14.586 65 HE2 TYR 8 HE2 TYR 8 -12.120 24.949 15.549 66 HH TYR 8 HH TYR 8 -10.445 26.399 14.221 67 H GLU 9 H GLU 9 -11.453 23.246 20.874 68 HA GLU 9 HA GLU 9 -12.241 25.696 19.607 69 1HB GLU 9 1HB GLU 9 -13.472 23.998 21.185 70 2HB GLU 9 2HB GLU 9 -12.819 25.001 22.481 71 1HG GLU 9 1HG GLU 9 -13.921 26.964 21.613 72 2HG GLU 9 2HG GLU 9 -14.398 26.112 20.145 73 H THR 10 H THR 10 -10.335 25.036 22.553 74 HA THR 10 HA THR 10 -10.005 27.699 23.468 75 HB THR 10 HB THR 10 -8.333 25.181 23.564 76 HG1 THR 10 HG1 THR 10 -9.009 25.550 25.852 77 1HG2 THR 10 1HG2 THR 10 -7.470 27.875 24.115 78 2HG2 THR 10 2HG2 THR 10 -7.511 26.946 25.613 79 3HG2 THR 10 3HG2 THR 10 -6.556 26.372 24.247 80 H LEU 11 H LEU 11 -8.344 25.903 20.914 81 HA LEU 11 HA LEU 11 -6.224 27.826 20.486 82 1HB LEU 11 1HB LEU 11 -6.159 25.450 19.807 83 2HB LEU 11 2HB LEU 11 -7.488 25.734 18.683 84 HG LEU 11 HG LEU 11 -6.074 27.417 17.499 85 1HD1 LEU 11 1HD1 LEU 11 -4.085 26.509 19.584 86 2HD1 LEU 11 2HD1 LEU 11 -3.566 27.226 18.059 87 3HD1 LEU 11 3HD1 LEU 11 -4.564 28.157 19.175 88 1HD2 LEU 11 1HD2 LEU 11 -5.591 24.534 17.665 89 2HD2 LEU 11 2HD2 LEU 11 -5.745 25.564 16.242 90 3HD2 LEU 11 3HD2 LEU 11 -4.191 25.423 17.065 91 H ASP 12 H ASP 12 -9.322 27.194 18.798 92 HA ASP 12 HA ASP 12 -9.019 29.512 17.045 93 1HB ASP 12 1HB ASP 12 -10.504 27.147 17.159 94 2HB ASP 12 2HB ASP 12 -11.706 28.417 17.383 95 H ASP 13 H ASP 13 -11.326 28.700 19.674 96 HA ASP 13 HA ASP 13 -12.651 31.162 19.889 97 1HB ASP 13 1HB ASP 13 -12.919 28.882 21.111 98 2HB ASP 13 2HB ASP 13 -11.767 29.537 22.275 99 H GLN 14 H GLN 14 -9.673 30.155 21.607 100 HA GLN 14 HA GLN 14 -9.255 32.828 22.730 101 1HB GLN 14 1HB GLN 14 -8.604 30.348 23.498 102 2HB GLN 14 2HB GLN 14 -7.132 30.725 22.602 103 1HG GLN 14 2HG GLN 14 -6.652 31.475 24.787 104 2HG GLN 14 1HG GLN 14 -7.141 32.946 23.947 105 2HE2 GLN 14 2HE2 GLN 14 -8.245 30.483 26.272 106 1HE2 GLN 14 1HE2 GLN 14 -9.543 31.393 26.877 107 H GLY 15 H GLY 15 -8.233 31.058 19.883 108 1HA GLY 15 2HA GLY 15 -7.146 33.438 18.662 109 2HA GLY 15 1HA GLY 15 -7.048 31.809 17.996 110 H TRP 16 H TRP 16 -5.638 30.476 19.980 111 HA TRP 16 HA TRP 16 -3.152 32.054 20.438 112 1HB TRP 16 1HB TRP 16 -4.650 29.970 21.774 113 2HB TRP 16 2HB TRP 16 -2.981 29.454 21.533 114 HD1 TRP 16 HD1 TRP 16 -1.723 29.955 23.686 115 HE1 TRP 16 HE1 TRP 16 -1.514 31.979 25.269 116 HE3 TRP 16 HE3 TRP 16 -5.159 33.085 21.573 117 HZ2 TRP 16 HZ2 TRP 16 -2.654 34.583 25.595 118 HZ3 TRP 16 HZ3 TRP 16 -5.578 35.329 22.539 119 HH2 TRP 16 HH2 TRP 16 -4.331 36.081 24.546 120 H ASP 17 H ASP 17 -1.122 30.429 20.286 121 HA ASP 17 HA ASP 17 -1.192 29.334 17.508 122 1HB ASP 17 1HB ASP 17 0.529 31.028 18.959 123 2HB ASP 17 2HB ASP 17 1.410 29.511 18.780 124 H MET 18 H MET 18 0.661 27.488 17.382 125 HA MET 18 HA MET 18 -0.348 25.279 19.011 126 1HB MET 18 1HB MET 18 1.528 25.729 16.725 127 2HB MET 18 2HB MET 18 1.664 24.213 17.616 128 1HG MET 18 1HG MET 18 -0.353 23.441 16.866 129 2HG MET 18 2HG MET 18 -1.096 25.040 16.922 130 1HE MET 18 1HE MET 18 -0.807 22.421 15.029 131 2HE MET 18 2HE MET 18 -0.291 22.785 13.378 132 3HE MET 18 3HE MET 18 0.907 22.442 14.623 133 H ASP 19 H ASP 19 2.884 26.789 18.588 134 HA ASP 19 HA ASP 19 3.598 25.726 21.304 135 1HB ASP 19 1HB ASP 19 5.926 25.633 20.328 136 2HB ASP 19 2HB ASP 19 4.776 24.554 19.538 137 H ASP 20 H ASP 20 3.366 28.496 19.246 138 HA ASP 20 HA ASP 20 5.332 30.221 20.362 139 1HB ASP 20 1HB ASP 20 3.890 30.553 18.318 140 2HB ASP 20 2HB ASP 20 2.544 30.920 19.396 141 H ASP 21 H ASP 21 1.838 30.512 21.074 142 HA ASP 21 HA ASP 21 2.397 31.762 23.658 143 1HB ASP 21 2HB ASP 21 -0.178 30.788 22.379 144 2HB ASP 21 1HB ASP 21 -0.055 31.920 23.726 145 H ASP 22 H ASP 22 2.665 28.635 22.774 146 HA ASP 22 HA ASP 22 2.435 26.565 23.899 147 1HB ASP 22 1HB ASP 22 3.693 28.499 25.435 148 2HB ASP 22 2HB ASP 22 2.476 27.854 26.536 149 H LEU 23 H LEU 23 -0.052 27.412 23.127 150 HA LEU 23 HA LEU 23 -2.096 27.970 24.898 151 1HB LEU 23 1HB LEU 23 -2.162 27.404 22.416 152 2HB LEU 23 2HB LEU 23 -2.158 25.704 22.884 153 HG LEU 23 HG LEU 23 -4.234 25.969 24.097 154 1HD1 LEU 23 1HD1 LEU 23 -3.501 28.817 23.885 155 2HD1 LEU 23 2HD1 LEU 23 -5.213 28.487 23.617 156 3HD1 LEU 23 3HD1 LEU 23 -4.443 27.989 25.124 157 1HD2 LEU 23 1HD2 LEU 23 -4.277 27.318 21.384 158 2HD2 LEU 23 2HD2 LEU 23 -4.538 25.607 21.725 159 3HD2 LEU 23 3HD2 LEU 23 -5.729 26.801 22.241 160 H PHE 24 H PHE 24 -0.775 24.689 24.315 161 HA PHE 24 HA PHE 24 -2.274 23.187 26.121 162 1HB PHE 24 1HB PHE 24 0.542 23.161 25.099 163 2HB PHE 24 2HB PHE 24 0.125 22.038 26.391 164 HD1 PHE 24 HD1 PHE 24 -1.653 20.333 26.051 165 HD2 PHE 24 HD2 PHE 24 -0.327 22.894 22.868 166 HE1 PHE 24 HE1 PHE 24 -2.724 18.827 24.395 167 HE2 PHE 24 HE2 PHE 24 -1.393 21.388 21.211 168 HZ PHE 24 HZ PHE 24 -2.591 19.354 21.975 169 H GLU 25 H GLU 25 0.141 25.614 26.769 170 HA GLU 25 HA GLU 25 0.302 24.870 29.647 171 1HB GLU 25 1HB GLU 25 1.966 26.111 27.651 172 2HB GLU 25 2HB GLU 25 1.781 27.211 29.017 173 1HG GLU 25 1HG GLU 25 3.582 25.918 29.730 174 2HG GLU 25 2HG GLU 25 2.231 25.034 30.441 175 H LYS 26 H LYS 26 -0.477 27.739 27.636 176 HA LYS 26 HA LYS 26 -1.306 29.464 29.727 177 1HB LYS 26 1HB LYS 26 -0.907 29.937 27.258 178 2HB LYS 26 2HB LYS 26 -2.504 29.252 26.951 179 1HG LYS 26 1HG LYS 26 -2.434 31.262 29.113 180 2HG LYS 26 2HG LYS 26 -2.039 31.896 27.515 181 1HD LYS 26 1HD LYS 26 -4.114 31.111 26.599 182 2HD LYS 26 2HD LYS 26 -4.464 30.162 28.044 183 1HE LYS 26 1HE LYS 26 -5.277 31.978 29.171 184 2HE LYS 26 2HE LYS 26 -4.001 33.043 28.551 185 1HZ LYS 26 1HZ LYS 26 -5.180 32.688 26.307 186 2HZ LYS 26 2HZ LYS 26 -6.512 32.194 27.238 187 3HZ LYS 26 3HZ LYS 26 -5.885 33.762 27.417 188 H ALA 27 H ALA 27 -2.806 26.613 28.477 189 HA ALA 27 HA ALA 27 -5.561 27.214 29.075 190 1HB ALA 27 1HB ALA 27 -4.459 25.339 27.665 191 2HB ALA 27 3HB ALA 27 -4.247 24.495 29.199 192 3HB ALA 27 2HB ALA 27 -5.867 24.902 28.631 193 H ALA 28 H ALA 28 -2.978 25.594 30.944 194 HA ALA 28 HA ALA 28 -4.526 24.927 33.242 195 1HB ALA 28 1HB ALA 28 -1.672 25.795 33.478 196 2HB ALA 28 3HB ALA 28 -2.034 24.456 32.389 197 3HB ALA 28 2HB ALA 28 -2.453 24.340 34.099 198 H ASP 29 H ASP 29 -3.227 27.979 32.144 199 HA ASP 29 HA ASP 29 -3.455 29.288 34.769 200 1HB ASP 29 1HB ASP 29 -3.008 30.399 31.979 201 2HB ASP 29 2HB ASP 29 -2.675 31.231 33.498 202 H ALA 30 H ALA 30 -5.416 28.836 31.898 203 HA ALA 30 HA ALA 30 -7.265 31.023 32.463 204 1HB ALA 30 1HB ALA 30 -7.217 28.613 30.638 205 2HB ALA 30 3HB ALA 30 -8.585 29.726 30.678 206 3HB ALA 30 2HB ALA 30 -6.989 30.306 30.201 207 H GLY 31 H GLY 31 -7.368 27.478 32.824 208 1HA GLY 31 2HA GLY 31 -9.340 27.823 35.013 209 2HA GLY 31 1HA GLY 31 -8.421 26.355 34.684 210 H LEU 32 H LEU 32 -8.930 25.926 32.006 211 HA LEU 32 HA LEU 32 -11.781 26.153 31.406 212 1HB LEU 32 1HB LEU 32 -9.285 25.425 30.128 213 2HB LEU 32 2HB LEU 32 -10.531 24.235 29.753 214 HG LEU 32 HG LEU 32 -12.031 25.989 28.972 215 1HD1 LEU 32 1HD1 LEU 32 -10.415 27.627 30.614 216 2HD1 LEU 32 2HD1 LEU 32 -10.200 28.221 28.967 217 3HD1 LEU 32 3HD1 LEU 32 -11.817 28.120 29.664 218 1HD2 LEU 32 1HD2 LEU 32 -9.223 26.300 27.866 219 2HD2 LEU 32 2HD2 LEU 32 -10.423 25.120 27.340 220 3HD2 LEU 32 3HD2 LEU 32 -10.694 26.839 27.054 221 H ASP 33 H ASP 33 -13.095 24.146 30.954 222 HA ASP 33 HA ASP 33 -13.249 22.422 33.220 223 1HB ASP 33 1HB ASP 33 -14.352 22.463 30.419 224 2HB ASP 33 2HB ASP 33 -14.698 21.098 31.481 225 H GLY 34 H GLY 34 -12.795 20.110 33.329 226 1HA GLY 34 2HA GLY 34 -11.329 18.289 33.111 227 2HA GLY 34 1HA GLY 34 -10.226 19.375 32.265 228 H GLU 35 H GLU 35 -13.486 19.020 31.089 229 HA GLU 35 HA GLU 35 -12.942 16.853 29.232 230 1HB GLU 35 2HB GLU 35 -15.184 17.232 28.573 231 2HB GLU 35 1HB GLU 35 -15.159 17.728 30.264 232 1HG GLU 35 1HG GLU 35 -14.622 20.095 29.345 233 2HG GLU 35 2HG GLU 35 -15.182 19.463 27.797 234 H ASP 36 H ASP 36 -11.782 19.970 29.294 235 HA ASP 36 HA ASP 36 -11.709 20.168 26.300 236 1HB ASP 36 1HB ASP 36 -12.340 21.993 28.459 237 2HB ASP 36 2HB ASP 36 -10.996 22.620 27.503 238 H TYR 37 H TYR 37 -9.767 20.994 29.216 239 HA TYR 37 HA TYR 37 -7.327 20.242 27.642 240 1HB TYR 37 1HB TYR 37 -7.361 22.609 27.614 241 2HB TYR 37 2HB TYR 37 -7.962 22.704 29.269 242 HD1 TYR 37 HD1 TYR 37 -5.019 21.514 27.283 243 HD2 TYR 37 HD2 TYR 37 -6.457 23.001 31.047 244 HE1 TYR 37 HE1 TYR 37 -2.689 21.648 28.118 245 HE2 TYR 37 HE2 TYR 37 -4.125 23.134 31.884 246 HH TYR 37 HH TYR 37 -1.577 21.593 30.474 247 H GLY 38 H GLY 38 -5.778 19.103 28.822 248 1HA GLY 38 2HA GLY 38 -6.605 17.942 31.356 249 2HA GLY 38 1HA GLY 38 -5.283 19.091 31.552 250 H THR 39 H THR 39 -4.405 16.800 32.289 251 HA THR 39 HA THR 39 -2.728 15.823 30.042 252 HB THR 39 HB THR 39 -2.669 15.315 33.035 253 HG1 THR 39 HG1 THR 39 -1.926 17.265 33.054 254 1HG2 THR 39 1HG2 THR 39 -0.780 14.666 30.772 255 2HG2 THR 39 2HG2 THR 39 -0.230 14.764 32.445 256 3HG2 THR 39 3HG2 THR 39 -1.447 13.573 31.985 257 H MET 40 H MET 40 -3.142 13.872 29.080 258 HA MET 40 HA MET 40 -5.256 12.132 30.240 259 1HB MET 40 1HB MET 40 -4.412 12.998 27.654 260 2HB MET 40 2HB MET 40 -4.227 11.245 27.716 261 1HG MET 40 1HG MET 40 -6.575 11.116 28.635 262 2HG MET 40 2HG MET 40 -6.731 12.843 28.316 263 1HE MET 40 1HE MET 40 -5.448 9.681 27.132 264 2HE MET 40 2HE MET 40 -6.916 9.196 26.270 265 3HE MET 40 3HE MET 40 -5.483 9.688 25.371 266 H GLU 41 H GLU 41 -3.604 11.431 31.961 267 HA GLU 41 HA GLU 41 -1.224 9.998 31.347 268 1HB GLU 41 1HB GLU 41 -2.235 10.868 33.574 269 2HB GLU 41 2HB GLU 41 -3.108 9.337 33.612 270 1HG GLU 41 1HG GLU 41 -0.618 8.433 33.048 271 2HG GLU 41 2HG GLU 41 -0.210 9.876 33.978 272 H VAL 42 H VAL 42 -1.361 8.393 29.758 273 HA VAL 42 HA VAL 42 -3.533 6.355 30.004 274 HB VAL 42 HB VAL 42 -1.638 7.223 27.808 275 1HG1 VAL 42 1HG1 VAL 42 -1.881 4.763 27.755 276 2HG1 VAL 42 2HG1 VAL 42 -3.635 4.938 27.783 277 3HG1 VAL 42 3HG1 VAL 42 -2.714 5.511 26.392 278 1HG2 VAL 42 1HG2 VAL 42 -4.272 7.968 28.614 279 2HG2 VAL 42 2HG2 VAL 42 -3.372 8.522 27.201 280 3HG2 VAL 42 3HG2 VAL 42 -4.407 7.098 27.086 281 H ALA 43 H ALA 43 -3.003 4.315 30.702 282 HA ALA 43 HA ALA 43 -0.279 3.705 31.539 283 1HB ALA 43 1HB ALA 43 -3.003 2.648 31.771 284 2HB ALA 43 3HB ALA 43 -1.794 1.374 31.621 285 3HB ALA 43 2HB ALA 43 -1.670 2.559 32.922 286 H GLU 44 H GLU 44 1.259 2.635 30.345 287 HA GLU 44 HA GLU 44 1.139 2.189 27.590 288 1HB GLU 44 1HB GLU 44 3.051 0.601 28.078 289 2HB GLU 44 2HB GLU 44 3.201 2.173 28.863 290 1HG GLU 44 1HG GLU 44 1.762 0.749 30.724 291 2HG GLU 44 2HG GLU 44 2.821 -0.493 30.057 292 H GLY 45 H GLY 45 -0.270 0.893 26.486 293 1HA GLY 45 2HA GLY 45 -0.814 -1.830 27.585 294 2HA GLY 45 1HA GLY 45 -0.872 -1.415 25.872 295 H GLU 46 H GLU 46 -2.218 1.189 27.270 296 HA GLU 46 HA GLU 46 -4.968 -0.013 27.343 297 1HB GLU 46 1HB GLU 46 -3.753 1.149 29.377 298 2HB GLU 46 2HB GLU 46 -4.207 2.636 28.543 299 1HG GLU 46 1HG GLU 46 -6.419 2.371 29.016 300 2HG GLU 46 2HG GLU 46 -6.365 0.629 28.748 301 H TYR 47 H TYR 47 -6.016 0.461 25.445 302 HA TYR 47 HA TYR 47 -5.338 2.232 23.428 303 1HB TYR 47 2HB TYR 47 -8.124 1.624 24.468 304 2HB TYR 47 1HB TYR 47 -7.718 2.115 22.825 305 HD1 TYR 47 HD1 TYR 47 -5.097 0.503 22.658 306 HD2 TYR 47 HD2 TYR 47 -9.069 -0.533 23.924 307 HE1 TYR 47 HE1 TYR 47 -4.673 -1.863 22.053 308 HE2 TYR 47 HE2 TYR 47 -8.645 -2.899 23.319 309 HH TYR 47 HH TYR 47 -5.448 -3.999 22.331 310 H ILE 48 H ILE 48 -5.797 4.446 22.976 311 HA ILE 48 HA ILE 48 -5.726 6.305 25.119 312 HB ILE 48 HB ILE 48 -6.745 6.613 22.275 313 1HG1 ILE 48 1HG1 ILE 48 -4.111 7.610 22.617 314 2HG1 ILE 48 2HG1 ILE 48 -4.143 6.003 23.342 315 1HG2 ILE 48 1HG2 ILE 48 -6.590 8.459 24.454 316 2HG2 ILE 48 2HG2 ILE 48 -5.356 8.902 23.275 317 3HG2 ILE 48 3HG2 ILE 48 -7.044 8.786 22.781 318 1HD1 ILE 48 1HD1 ILE 48 -5.111 6.689 20.549 319 2HD1 ILE 48 2HD1 ILE 48 -3.589 5.887 20.934 320 3HD1 ILE 48 3HD1 ILE 48 -5.121 5.082 21.275 321 H LEU 49 H LEU 49 -8.507 5.596 22.956 322 HA LEU 49 HA LEU 49 -10.475 7.086 24.288 323 1HB LEU 49 1HB LEU 49 -12.021 5.384 23.269 324 2HB LEU 49 2HB LEU 49 -10.796 5.968 22.143 325 HG LEU 49 HG LEU 49 -9.477 3.866 23.262 326 1HD1 LEU 49 1HD1 LEU 49 -11.512 3.269 24.582 327 2HD1 LEU 49 2HD1 LEU 49 -12.387 3.034 23.070 328 3HD1 LEU 49 3HD1 LEU 49 -11.024 1.989 23.471 329 1HD2 LEU 49 1HD2 LEU 49 -10.707 4.519 20.780 330 2HD2 LEU 49 2HD2 LEU 49 -9.419 3.349 21.071 331 3HD2 LEU 49 3HD2 LEU 49 -11.106 2.837 21.130 332 H GLU 50 H GLU 50 -8.874 4.177 25.319 333 HA GLU 50 HA GLU 50 -10.909 3.367 27.258 334 1HB GLU 50 1HB GLU 50 -8.405 2.440 26.125 335 2HB GLU 50 2HB GLU 50 -8.406 2.236 27.877 336 1HG GLU 50 1HG GLU 50 -10.897 1.466 26.443 337 2HG GLU 50 2HG GLU 50 -9.498 0.420 26.209 338 H ALA 51 H ALA 51 -7.560 4.634 27.602 339 HA ALA 51 HA ALA 51 -7.719 5.097 30.420 340 1HB ALA 51 1HB ALA 51 -6.072 6.371 28.214 341 2HB ALA 51 2HB ALA 51 -5.725 6.542 29.935 342 3HB ALA 51 3HB ALA 51 -5.629 4.956 29.169 343 H ALA 52 H ALA 52 -8.668 7.066 27.656 344 HA ALA 52 HA ALA 52 -9.077 9.489 29.238 345 1HB ALA 52 1HB ALA 52 -9.218 8.568 26.451 346 2HB ALA 52 3HB ALA 52 -10.427 9.786 26.855 347 3HB ALA 52 2HB ALA 52 -8.714 10.133 27.091 348 H GLU 53 H GLU 53 -11.165 7.002 27.795 349 HA GLU 53 HA GLU 53 -13.682 8.126 28.498 350 1HB GLU 53 1HB GLU 53 -13.532 6.287 26.965 351 2HB GLU 53 2HB GLU 53 -12.663 5.297 28.140 352 1HG GLU 53 1HG GLU 53 -14.746 5.482 29.618 353 2HG GLU 53 2HG GLU 53 -15.570 6.135 28.202 354 H ALA 54 H ALA 54 -11.348 6.282 30.377 355 HA ALA 54 HA ALA 54 -13.139 5.829 32.642 356 1HB ALA 54 1HB ALA 54 -10.160 5.585 32.138 357 2HB ALA 54 3HB ALA 54 -10.903 5.148 33.677 358 3HB ALA 54 2HB ALA 54 -11.350 4.283 32.206 359 H GLN 55 H GLN 55 -11.527 8.548 31.462 360 HA GLN 55 HA GLN 55 -11.154 9.739 34.179 361 1HB GLN 55 1HB GLN 55 -10.148 10.328 31.393 362 2HB GLN 55 2HB GLN 55 -9.982 11.509 32.692 363 1HG GLN 55 1HG GLN 55 -9.125 9.121 33.848 364 2HG GLN 55 2HG GLN 55 -8.467 9.059 32.212 365 2HE2 GLN 55 2HE2 GLN 55 -7.591 10.015 35.231 366 1HE2 GLN 55 1HE2 GLN 55 -6.579 11.324 34.852 367 H GLY 56 H GLY 56 -13.253 9.759 31.447 368 1HA GLY 56 2HA GLY 56 -14.657 12.134 32.585 369 2HA GLY 56 1HA GLY 56 -15.438 10.858 31.652 370 H TYR 57 H TYR 57 -13.085 10.895 29.730 371 HA TYR 57 HA TYR 57 -13.400 13.557 28.447 372 1HB TYR 57 2HB TYR 57 -11.713 11.137 27.734 373 2HB TYR 57 1HB TYR 57 -11.542 12.754 27.052 374 HD1 TYR 57 HD1 TYR 57 -12.302 13.968 29.951 375 HD2 TYR 57 HD2 TYR 57 -9.319 11.275 28.444 376 HE1 TYR 57 HE1 TYR 57 -10.793 14.590 31.819 377 HE2 TYR 57 HE2 TYR 57 -7.812 11.890 30.305 378 HH TYR 57 HH TYR 57 -8.849 14.203 32.819 379 H ASP 58 H ASP 58 -14.179 13.745 26.271 380 HA ASP 58 HA ASP 58 -15.660 11.351 25.227 381 1HB ASP 58 1HB ASP 58 -17.062 13.135 26.332 382 2HB ASP 58 2HB ASP 58 -16.490 14.270 25.109 383 H TRP 59 H TRP 59 -15.305 10.950 23.040 384 HA TRP 59 HA TRP 59 -13.854 13.059 21.477 385 1HB TRP 59 1HB TRP 59 -13.346 10.070 21.459 386 2HB TRP 59 2HB TRP 59 -12.382 11.310 20.657 387 HD1 TRP 59 HD1 TRP 59 -13.534 10.429 24.244 388 HE1 TRP 59 HE1 TRP 59 -11.641 11.066 25.871 389 HE3 TRP 59 HE3 TRP 59 -10.197 12.471 20.962 390 HZ2 TRP 59 HZ2 TRP 59 -9.054 12.277 25.794 391 HZ3 TRP 59 HZ3 TRP 59 -8.027 13.357 21.766 392 HH2 TRP 59 HH2 TRP 59 -7.453 13.263 24.177 393 HA PRO 60 HA PRO 60 -16.689 12.179 18.252 394 1HB PRO 60 1HB PRO 60 -15.123 12.549 16.038 395 2HB PRO 60 2HB PRO 60 -15.688 13.884 17.058 396 1HG PRO 60 2HG PRO 60 -13.024 12.570 16.950 397 2HG PRO 60 1HG PRO 60 -13.435 14.265 17.240 398 1HD PRO 60 1HD PRO 60 -12.730 12.462 19.202 399 2HD PRO 60 2HD PRO 60 -13.665 13.946 19.481 400 H PHE 61 H PHE 61 -16.490 9.797 19.081 401 HA PHE 61 HA PHE 61 -15.109 8.060 17.071 402 1HB PHE 61 1HB PHE 61 -15.351 6.353 18.871 403 2HB PHE 61 2HB PHE 61 -14.500 7.789 19.439 404 HD1 PHE 61 HD1 PHE 61 -17.813 6.093 19.377 405 HD2 PHE 61 HD2 PHE 61 -15.396 9.155 21.175 406 HE1 PHE 61 HE1 PHE 61 -19.535 6.421 21.131 407 HE2 PHE 61 HE2 PHE 61 -17.118 9.482 22.931 408 HZ PHE 61 HZ PHE 61 -19.187 8.114 22.908 409 H SER 62 H SER 62 -16.615 5.742 17.471 410 HA SER 62 HA SER 62 -18.656 4.688 16.894 411 1HB SER 62 1HB SER 62 -19.295 6.818 18.475 412 2HB SER 62 2HB SER 62 -20.171 7.231 17.003 413 HG SER 62 HG SER 62 -21.522 5.693 17.401 414 H CYS 63 H CYS 63 -16.912 6.467 14.974 415 HA CYS 63 HA CYS 63 -18.735 7.449 12.951 416 1HB CYS 63 1HB CYS 63 -16.611 7.501 11.603 417 2HB CYS 63 2HB CYS 63 -16.459 8.276 13.178 418 H ARG 64 H ARG 64 -19.982 5.200 13.224 419 HA ARG 64 HA ARG 64 -18.897 2.889 11.855 420 1HB ARG 64 1HB ARG 64 -21.599 3.826 12.816 421 2HB ARG 64 2HB ARG 64 -21.440 2.319 11.913 422 1HG ARG 64 1HG ARG 64 -19.534 2.737 14.162 423 2HG ARG 64 2HG ARG 64 -21.214 2.425 14.596 424 1HD ARG 64 1HD ARG 64 -20.485 0.230 14.408 425 2HD ARG 64 2HD ARG 64 -20.892 0.513 12.704 426 HE ARG 64 HE ARG 64 -18.271 1.497 13.086 427 1HH1 ARG 64 1HH1 ARG 64 -18.155 -0.939 14.893 428 2HH1 ARG 64 2HH1 ARG 64 -17.603 -2.156 13.791 429 1HH2 ARG 64 1HH2 ARG 64 -18.342 -0.300 10.957 430 2HH2 ARG 64 2HH2 ARG 64 -17.705 -1.793 11.561 431 H ALA 65 H ALA 65 -20.276 5.853 10.783 432 HA ALA 65 HA ALA 65 -20.135 4.964 7.976 433 1HB ALA 65 1HB ALA 65 -22.491 4.649 9.411 434 2HB ALA 65 3HB ALA 65 -22.370 4.720 7.652 435 3HB ALA 65 2HB ALA 65 -22.736 6.180 8.572 436 H GLY 66 H GLY 66 -21.057 6.962 6.588 437 1HA GLY 66 2HA GLY 66 -20.488 9.538 7.945 438 2HA GLY 66 1HA GLY 66 -21.227 9.357 6.354 439 H ALA 67 H ALA 67 -18.211 9.515 8.106 440 HA ALA 67 HA ALA 67 -16.404 8.720 6.045 441 1HB ALA 67 1HB ALA 67 -17.782 11.303 5.760 442 2HB ALA 67 3HB ALA 67 -16.027 11.430 5.638 443 3HB ALA 67 2HB ALA 67 -16.912 10.359 4.550 444 H CYS 68 H CYS 68 -15.065 8.122 7.802 445 HA CYS 68 HA CYS 68 -13.852 10.409 9.310 446 1HB CYS 68 1HB CYS 68 -15.528 9.199 10.672 447 2HB CYS 68 2HB CYS 68 -14.683 7.683 10.370 448 H ALA 69 H ALA 69 -13.070 7.031 9.857 449 HA ALA 69 HA ALA 69 -11.089 5.818 9.441 450 1HB ALA 69 1HB ALA 69 -10.540 5.801 7.190 451 2HB ALA 69 3HB ALA 69 -10.597 7.559 7.060 452 3HB ALA 69 2HB ALA 69 -12.095 6.629 7.104 453 H ASN 70 H ASN 70 -11.077 8.813 10.595 454 HA ASN 70 HA ASN 70 -8.137 8.851 10.915 455 1HB ASN 70 1HB ASN 70 -9.575 10.429 8.990 456 2HB ASN 70 2HB ASN 70 -8.894 11.504 10.212 457 2HD2 ASN 70 2HD2 ASN 70 -8.077 10.644 7.274 458 1HD2 ASN 70 1HD2 ASN 70 -6.412 10.355 7.429 459 H CYS 71 H CYS 71 -10.873 8.794 12.454 460 HA CYS 71 HA CYS 71 -11.769 9.773 14.425 461 1HB CYS 71 2HB CYS 71 -8.839 10.178 15.045 462 2HB CYS 71 1HB CYS 71 -10.128 9.704 16.149 463 H ALA 72 H ALA 72 -9.953 11.797 15.906 464 HA ALA 72 HA ALA 72 -9.872 14.150 14.184 465 1HB ALA 72 1HB ALA 72 -12.352 13.368 15.172 466 2HB ALA 72 3HB ALA 72 -11.837 14.620 16.303 467 3HB ALA 72 2HB ALA 72 -11.946 14.979 14.579 468 H SER 73 H SER 73 -7.710 13.728 15.389 469 HA SER 73 HA SER 73 -7.674 15.439 17.827 470 1HB SER 73 2HB SER 73 -5.981 13.027 17.975 471 2HB SER 73 1HB SER 73 -7.024 13.740 19.205 472 HG SER 73 HG SER 73 -8.789 12.776 18.237 473 H ILE 74 H ILE 74 -6.247 17.025 17.157 474 HA ILE 74 HA ILE 74 -4.102 16.426 15.242 475 HB ILE 74 HB ILE 74 -4.738 18.935 16.825 476 1HG1 ILE 74 1HG1 ILE 74 -6.706 18.147 15.568 477 2HG1 ILE 74 2HG1 ILE 74 -6.041 19.605 14.831 478 1HG2 ILE 74 1HG2 ILE 74 -2.496 18.554 15.493 479 2HG2 ILE 74 2HG2 ILE 74 -3.520 18.834 14.084 480 3HG2 ILE 74 3HG2 ILE 74 -3.367 20.078 15.325 481 1HD1 ILE 74 1HD1 ILE 74 -4.734 18.096 13.267 482 2HD1 ILE 74 2HD1 ILE 74 -5.669 16.743 13.906 483 3HD1 ILE 74 3HD1 ILE 74 -6.484 18.048 13.045 484 H VAL 75 H VAL 75 -2.632 15.048 16.351 485 HA VAL 75 HA VAL 75 -1.721 15.431 19.029 486 HB VAL 75 HB VAL 75 -1.391 13.632 16.923 487 1HG1 VAL 75 1HG1 VAL 75 1.282 14.861 17.667 488 2HG1 VAL 75 2HG1 VAL 75 1.100 13.297 16.870 489 3HG1 VAL 75 3HG1 VAL 75 0.573 14.770 16.055 490 1HG2 VAL 75 1HG2 VAL 75 -0.119 13.811 19.663 491 2HG2 VAL 75 2HG2 VAL 75 -1.619 12.989 19.229 492 3HG2 VAL 75 3HG2 VAL 75 -0.072 12.357 18.664 493 H LYS 76 H LYS 76 -0.668 17.226 19.775 494 HA LYS 76 HA LYS 76 0.831 18.956 17.931 495 1HB LYS 76 1HB LYS 76 -0.596 19.177 20.359 496 2HB LYS 76 2HB LYS 76 1.074 19.594 20.741 497 1HG LYS 76 1HG LYS 76 0.556 20.847 18.282 498 2HG LYS 76 2HG LYS 76 -0.896 21.116 19.245 499 1HD LYS 76 2HD LYS 76 0.363 22.884 20.016 500 2HD LYS 76 1HD LYS 76 0.938 21.644 21.130 501 1HE LYS 76 1HE LYS 76 2.638 21.201 19.069 502 2HE LYS 76 2HE LYS 76 2.350 22.937 18.850 503 1HZ LYS 76 1HZ LYS 76 2.583 22.915 21.448 504 2HZ LYS 76 2HZ LYS 76 3.487 21.507 21.154 505 3HZ LYS 76 3HZ LYS 76 3.964 22.984 20.462 506 H GLU 77 H GLU 77 1.557 16.234 19.844 507 HA GLU 77 HA GLU 77 4.361 16.307 19.233 508 1HB GLU 77 1HB GLU 77 3.781 18.171 21.060 509 2HB GLU 77 2HB GLU 77 3.917 16.792 22.152 510 1HG GLU 77 1HG GLU 77 6.116 16.466 20.521 511 2HG GLU 77 2HG GLU 77 6.015 18.220 20.668 512 H GLY 78 H GLY 78 5.442 14.396 20.029 513 1HA GLY 78 2HA GLY 78 3.786 12.528 21.650 514 2HA GLY 78 1HA GLY 78 5.526 12.388 21.401 515 H GLU 79 H GLU 79 4.120 10.129 20.937 516 HA GLU 79 HA GLU 79 3.627 10.011 17.989 517 1HB GLU 79 1HB GLU 79 5.707 8.676 19.668 518 2HB GLU 79 2HB GLU 79 4.991 7.730 18.363 519 1HG GLU 79 1HG GLU 79 5.823 10.515 17.711 520 2HG GLU 79 2HG GLU 79 7.109 9.335 17.968 521 H ILE 80 H ILE 80 2.617 7.819 17.420 522 HA ILE 80 HA ILE 80 1.047 6.693 19.709 523 HB ILE 80 HB ILE 80 -0.009 7.410 16.957 524 1HG1 ILE 80 1HG1 ILE 80 -0.219 8.884 19.599 525 2HG1 ILE 80 2HG1 ILE 80 0.605 9.450 18.146 526 1HG2 ILE 80 1HG2 ILE 80 -1.017 5.842 19.152 527 2HG2 ILE 80 2HG2 ILE 80 -2.025 7.274 18.947 528 3HG2 ILE 80 3HG2 ILE 80 -1.776 6.170 17.595 529 1HD1 ILE 80 1HD1 ILE 80 -2.303 8.695 18.014 530 2HD1 ILE 80 2HD1 ILE 80 -1.837 10.276 18.641 531 3HD1 ILE 80 3HD1 ILE 80 -1.400 9.817 16.997 532 H ASP 81 H ASP 81 0.825 4.463 19.614 533 HA ASP 81 HA ASP 81 1.945 3.093 17.189 534 1HB ASP 81 1HB ASP 81 3.367 2.720 19.056 535 2HB ASP 81 2HB ASP 81 2.004 2.524 20.157 536 H MET 82 H MET 82 0.542 1.732 16.131 537 HA MET 82 HA MET 82 -1.881 0.762 17.606 538 1HB MET 82 1HB MET 82 -1.596 2.516 15.263 539 2HB MET 82 2HB MET 82 -2.697 1.166 14.994 540 1HG MET 82 1HG MET 82 -4.213 1.915 16.546 541 2HG MET 82 2HG MET 82 -2.963 2.595 17.589 542 1HE MET 82 1HE MET 82 -5.870 3.363 15.682 543 2HE MET 82 2HE MET 82 -5.508 4.602 14.484 544 3HE MET 82 3HE MET 82 -4.921 2.958 14.246 545 H ASP 83 H ASP 83 -3.017 -0.876 15.862 546 HA ASP 83 HA ASP 83 -0.832 -2.730 14.970 547 1HB ASP 83 1HB ASP 83 -2.451 -3.243 16.958 548 2HB ASP 83 2HB ASP 83 -3.647 -3.535 15.694 549 H MET 84 H MET 84 -1.863 -4.347 13.250 550 HA MET 84 HA MET 84 -2.504 -2.866 10.899 551 1HB MET 84 1HB MET 84 -1.497 -5.039 10.778 552 2HB MET 84 2HB MET 84 -2.792 -5.764 11.729 553 1HG MET 84 1HG MET 84 -4.213 -5.885 9.940 554 2HG MET 84 2HG MET 84 -3.639 -4.367 9.252 555 1HE MET 84 1HE MET 84 -1.990 -7.462 10.578 556 2HE MET 84 2HE MET 84 -3.034 -8.318 9.436 557 3HE MET 84 3HE MET 84 -1.288 -8.299 9.195 558 H GLN 85 H GLN 85 -4.383 -1.653 10.805 559 HA GLN 85 HA GLN 85 -6.953 -2.939 10.653 560 1HB GLN 85 1HB GLN 85 -6.016 -2.629 13.228 561 2HB GLN 85 2HB GLN 85 -6.997 -1.178 13.016 562 1HG GLN 85 1HG GLN 85 -8.491 -3.284 11.878 563 2HG GLN 85 2HG GLN 85 -7.861 -3.912 13.401 564 2HE2 GLN 85 2HE2 GLN 85 -7.807 -1.408 14.861 565 1HE2 GLN 85 1HE2 GLN 85 -9.413 -0.918 15.107 566 H GLN 86 H GLN 86 -8.211 -1.581 9.423 567 HA GLN 86 HA GLN 86 -9.036 0.416 8.456 568 1HB GLN 86 1HB GLN 86 -8.707 0.891 11.097 569 2HB GLN 86 2HB GLN 86 -7.558 2.063 10.449 570 1HG GLN 86 2HG GLN 86 -9.451 3.366 10.342 571 2HG GLN 86 1HG GLN 86 -9.626 2.542 8.793 572 2HE2 GLN 86 2HE2 GLN 86 -12.002 3.364 9.796 573 1HE2 GLN 86 1HE2 GLN 86 -12.871 2.087 10.503 574 H ILE 87 H ILE 87 -7.553 2.970 8.542 575 HA ILE 87 HA ILE 87 -5.034 2.266 7.093 576 HB ILE 87 HB ILE 87 -6.974 2.523 5.530 577 1HG1 ILE 87 1HG1 ILE 87 -5.861 4.040 4.002 578 2HG1 ILE 87 2HG1 ILE 87 -5.006 4.820 5.331 579 1HG2 ILE 87 1HG2 ILE 87 -8.174 4.186 6.991 580 2HG2 ILE 87 2HG2 ILE 87 -6.984 5.393 6.505 581 3HG2 ILE 87 3HG2 ILE 87 -8.057 4.680 5.302 582 1HD1 ILE 87 1HD1 ILE 87 -4.715 1.881 4.658 583 2HD1 ILE 87 2HD1 ILE 87 -3.630 3.129 4.047 584 3HD1 ILE 87 3HD1 ILE 87 -3.733 2.822 5.781 585 H LEU 88 H LEU 88 -3.376 3.605 7.709 586 HA LEU 88 HA LEU 88 -3.911 6.383 8.556 587 1HB LEU 88 1HB LEU 88 -2.832 5.953 10.778 588 2HB LEU 88 2HB LEU 88 -4.350 5.078 10.577 589 HG LEU 88 HG LEU 88 -2.095 3.543 9.560 590 1HD1 LEU 88 1HD1 LEU 88 -1.405 5.070 11.760 591 2HD1 LEU 88 2HD1 LEU 88 -1.947 3.560 12.492 592 3HD1 LEU 88 3HD1 LEU 88 -0.644 3.545 11.303 593 1HD2 LEU 88 1HD2 LEU 88 -4.541 2.936 10.345 594 2HD2 LEU 88 2HD2 LEU 88 -3.224 1.792 10.603 595 3HD2 LEU 88 3HD2 LEU 88 -3.782 2.810 11.931 596 H SER 89 H SER 89 -2.059 7.666 8.267 597 HA SER 89 HA SER 89 0.472 6.231 7.531 598 1HB SER 89 1HB SER 89 0.704 7.938 5.737 599 2HB SER 89 2HB SER 89 -0.773 6.994 5.549 600 HG SER 89 HG SER 89 -1.574 8.959 5.438 601 H ASP 90 H ASP 90 2.419 7.437 8.008 602 HA ASP 90 HA ASP 90 2.344 9.010 10.408 603 1HB ASP 90 1HB ASP 90 4.207 7.557 9.431 604 2HB ASP 90 2HB ASP 90 4.544 8.894 8.329 605 H GLU 91 H GLU 91 2.789 9.902 6.986 606 HA GLU 91 HA GLU 91 3.304 12.652 7.243 607 1HB GLU 91 1HB GLU 91 2.203 12.768 4.994 608 2HB GLU 91 2HB GLU 91 3.321 11.411 5.129 609 1HG GLU 91 1HG GLU 91 1.563 9.841 5.373 610 2HG GLU 91 2HG GLU 91 0.384 11.097 5.754 611 H GLU 92 H GLU 92 0.391 10.859 7.877 612 HA GLU 92 HA GLU 92 -1.439 13.130 7.812 613 1HB GLU 92 1HB GLU 92 -1.498 10.298 8.023 614 2HB GLU 92 2HB GLU 92 -2.283 10.924 9.472 615 1HG GLU 92 1HG GLU 92 -3.882 10.609 7.585 616 2HG GLU 92 2HG GLU 92 -3.784 12.289 8.110 617 H VAL 93 H VAL 93 0.265 11.302 10.362 618 HA VAL 93 HA VAL 93 -0.782 12.993 12.507 619 HB VAL 93 HB VAL 93 -0.062 10.501 12.515 620 1HG1 VAL 93 1HG1 VAL 93 2.355 11.615 11.703 621 2HG1 VAL 93 2HG1 VAL 93 2.619 11.248 13.406 622 3HG1 VAL 93 3HG1 VAL 93 2.123 9.971 12.296 623 1HG2 VAL 93 1HG2 VAL 93 0.476 12.605 14.561 624 2HG2 VAL 93 2HG2 VAL 93 -0.614 11.221 14.633 625 3HG2 VAL 93 3HG2 VAL 93 1.117 10.992 14.876 626 H GLU 94 H GLU 94 1.809 13.195 10.260 627 HA GLU 94 HA GLU 94 3.463 14.947 11.990 628 1HB GLU 94 1HB GLU 94 4.660 13.368 10.664 629 2HB GLU 94 2HB GLU 94 3.696 13.728 9.231 630 1HG GLU 94 1HG GLU 94 5.047 16.087 10.341 631 2HG GLU 94 2HG GLU 94 6.166 14.831 9.809 632 H GLU 95 H GLU 95 1.550 15.111 8.984 633 HA GLU 95 HA GLU 95 1.955 18.042 8.820 634 1HB GLU 95 1HB GLU 95 1.533 15.889 7.044 635 2HB GLU 95 2HB GLU 95 0.077 16.880 6.943 636 1HG GLU 95 1HG GLU 95 1.444 18.877 6.521 637 2HG GLU 95 2HG GLU 95 2.916 17.920 6.681 638 H LYS 96 H LYS 96 -0.682 15.688 9.325 639 HA LYS 96 HA LYS 96 -2.516 17.948 10.006 640 1HB LYS 96 1HB LYS 96 -2.963 15.020 9.341 641 2HB LYS 96 2HB LYS 96 -4.252 16.167 9.701 642 1HG LYS 96 1HG LYS 96 -2.899 17.553 7.799 643 2HG LYS 96 2HG LYS 96 -2.577 15.903 7.265 644 1HD LYS 96 1HD LYS 96 -5.013 15.428 7.331 645 2HD LYS 96 2HD LYS 96 -5.314 17.097 7.814 646 1HE LYS 96 1HE LYS 96 -3.629 17.160 5.499 647 2HE LYS 96 2HE LYS 96 -4.992 16.075 5.160 648 1HZ LYS 96 1HZ LYS 96 -5.231 18.773 6.396 649 2HZ LYS 96 2HZ LYS 96 -5.531 18.441 4.757 650 3HZ LYS 96 3HZ LYS 96 -6.512 17.747 5.957 651 H ASP 97 H ASP 97 -0.763 15.277 11.370 652 HA ASP 97 HA ASP 97 -0.601 14.495 13.596 653 1HB ASP 97 2HB ASP 97 -2.047 17.033 14.348 654 2HB ASP 97 1HB ASP 97 -0.752 16.209 15.213 655 H VAL 98 H VAL 98 -3.195 14.113 11.970 656 HA VAL 98 HA VAL 98 -5.237 14.034 14.105 657 HB VAL 98 HB VAL 98 -5.140 13.428 11.143 658 1HG1 VAL 98 1HG1 VAL 98 -7.158 12.665 13.188 659 2HG1 VAL 98 2HG1 VAL 98 -7.786 13.379 11.703 660 3HG1 VAL 98 3HG1 VAL 98 -6.796 11.920 11.631 661 1HG2 VAL 98 1HG2 VAL 98 -5.258 15.811 12.220 662 2HG2 VAL 98 2HG2 VAL 98 -6.354 15.417 10.896 663 3HG2 VAL 98 3HG2 VAL 98 -6.935 15.383 12.560 664 H ARG 99 H ARG 99 -5.541 12.234 15.351 665 HA ARG 99 HA ARG 99 -5.642 9.558 14.452 666 1HB ARG 99 1HB ARG 99 -3.019 10.645 14.481 667 2HB ARG 99 2HB ARG 99 -3.107 9.511 15.829 668 1HG ARG 99 1HG ARG 99 -3.153 7.732 14.438 669 2HG ARG 99 2HG ARG 99 -4.414 8.459 13.444 670 1HD ARG 99 2HD ARG 99 -2.583 8.325 11.951 671 2HD ARG 99 1HD ARG 99 -2.456 9.986 12.561 672 HE ARG 99 HE ARG 99 -0.646 9.271 14.007 673 1HH1 ARG 99 1HH1 ARG 99 -1.570 6.545 14.719 674 2HH1 ARG 99 2HH1 ARG 99 -0.478 5.531 13.836 675 1HH2 ARG 99 1HH2 ARG 99 0.576 8.064 11.716 676 2HH2 ARG 99 2HH2 ARG 99 0.737 6.392 12.135 677 H LEU 100 H LEU 100 -4.339 8.292 16.704 678 HA LEU 100 HA LEU 100 -4.671 7.865 19.011 679 1HB LEU 100 1HB LEU 100 -4.191 10.497 18.802 680 2HB LEU 100 2HB LEU 100 -5.861 10.583 19.362 681 HG LEU 100 HG LEU 100 -5.078 8.852 21.162 682 1HD1 LEU 100 1HD1 LEU 100 -2.825 8.638 19.929 683 2HD1 LEU 100 2HD1 LEU 100 -2.432 10.206 20.634 684 3HD1 LEU 100 3HD1 LEU 100 -2.765 8.826 21.681 685 1HD2 LEU 100 1HD2 LEU 100 -4.970 11.759 21.002 686 2HD2 LEU 100 2HD2 LEU 100 -5.527 10.734 22.326 687 3HD2 LEU 100 3HD2 LEU 100 -3.815 11.132 22.178 688 H THR 101 H THR 101 -6.839 8.988 20.605 689 HA THR 101 HA THR 101 -9.110 8.540 21.066 690 HB THR 101 HB THR 101 -9.124 8.930 18.056 691 HG1 THR 101 HG1 THR 101 -8.432 10.679 19.410 692 1HG2 THR 101 1HG2 THR 101 -11.136 7.705 18.846 693 2HG2 THR 101 2HG2 THR 101 -11.445 8.998 20.004 694 3HG2 THR 101 3HG2 THR 101 -11.527 9.326 18.274 695 H CYS 102 H CYS 102 -9.392 7.079 17.893 696 HA CYS 102 HA CYS 102 -10.612 4.706 18.605 697 1HB CYS 102 1HB CYS 102 -8.885 5.685 16.411 698 2HB CYS 102 2HB CYS 102 -9.020 3.930 16.523 699 H ILE 103 H ILE 103 -9.642 2.443 18.596 700 HA ILE 103 HA ILE 103 -8.022 1.852 20.739 701 HB ILE 103 HB ILE 103 -8.265 0.545 18.018 702 1HG1 ILE 103 1HG1 ILE 103 -9.544 0.055 20.722 703 2HG1 ILE 103 2HG1 ILE 103 -10.342 0.664 19.272 704 1HG2 ILE 103 1HG2 ILE 103 -6.880 -0.397 20.533 705 2HG2 ILE 103 2HG2 ILE 103 -7.496 -1.531 19.330 706 3HG2 ILE 103 3HG2 ILE 103 -6.248 -0.365 18.886 707 1HD1 ILE 103 1HD1 ILE 103 -8.931 -1.841 18.769 708 2HD1 ILE 103 2HD1 ILE 103 -10.146 -2.011 20.037 709 3HD1 ILE 103 3HD1 ILE 103 -10.613 -1.420 18.443 710 H GLY 104 H GLY 104 -5.746 1.459 21.033 711 1HA GLY 104 2HA GLY 104 -4.028 3.045 19.188 712 2HA GLY 104 1HA GLY 104 -3.551 1.395 19.590 713 H SER 105 H SER 105 -1.621 2.183 20.638 714 HA SER 105 HA SER 105 -2.154 3.440 23.311 715 1HB SER 105 1HB SER 105 -0.503 1.989 24.182 716 2HB SER 105 2HB SER 105 -1.359 0.978 23.017 717 HG SER 105 HG SER 105 1.113 2.314 22.701 718 HA PRO 106 HA PRO 106 0.631 6.662 22.249 719 1HB PRO 106 1HB PRO 106 1.848 7.137 24.656 720 2HB PRO 106 2HB PRO 106 0.171 7.602 24.311 721 1HG PRO 106 2HG PRO 106 1.223 5.253 25.815 722 2HG PRO 106 1HG PRO 106 -0.183 6.271 26.157 723 1HD PRO 106 1HD PRO 106 -0.352 3.802 25.006 724 2HD PRO 106 2HD PRO 106 -1.537 5.095 24.728 725 H ALA 107 H ALA 107 2.754 6.857 21.487 726 HA ALA 107 HA ALA 107 4.554 4.527 21.975 727 1HB ALA 107 1HB ALA 107 4.716 6.735 19.904 728 2HB ALA 107 3HB ALA 107 3.785 5.255 19.670 729 3HB ALA 107 2HB ALA 107 5.537 5.175 19.863 730 H ALA 108 H ALA 108 4.277 7.982 22.469 731 HA ALA 108 HA ALA 108 7.080 8.032 23.543 732 1HB ALA 108 1HB ALA 108 7.189 10.281 22.788 733 2HB ALA 108 3HB ALA 108 5.436 10.402 22.645 734 3HB ALA 108 2HB ALA 108 6.348 9.431 21.491 735 H ASP 109 H ASP 109 7.370 8.921 25.620 736 HA ASP 109 HA ASP 109 5.436 8.660 27.609 737 1HB ASP 109 1HB ASP 109 7.896 10.340 27.221 738 2HB ASP 109 2HB ASP 109 6.935 10.561 28.683 739 H GLU 110 H GLU 110 6.500 11.930 26.686 740 HA GLU 110 HA GLU 110 3.889 13.052 27.392 741 1HB GLU 110 1HB GLU 110 5.080 15.164 26.710 742 2HB GLU 110 2HB GLU 110 5.965 14.215 27.905 743 1HG GLU 110 1HG GLU 110 6.598 13.398 25.174 744 2HG GLU 110 2HG GLU 110 6.956 15.103 25.452 745 H VAL 111 H VAL 111 2.236 13.448 25.952 746 HA VAL 111 HA VAL 111 2.877 13.603 23.038 747 HB VAL 111 HB VAL 111 0.646 11.924 24.214 748 1HG1 VAL 111 1HG1 VAL 111 0.897 12.863 21.701 749 2HG1 VAL 111 2HG1 VAL 111 1.896 11.417 21.559 750 3HG1 VAL 111 3HG1 VAL 111 0.208 11.278 22.053 751 1HG2 VAL 111 1HG2 VAL 111 3.531 11.306 23.703 752 2HG2 VAL 111 2HG2 VAL 111 2.471 10.717 24.984 753 3HG2 VAL 111 3HG2 VAL 111 2.333 10.060 23.353 754 H LYS 112 H LYS 112 2.218 15.746 22.768 755 HA LYS 112 HA LYS 112 -0.213 16.779 24.056 756 1HB LYS 112 2HB LYS 112 1.509 17.987 21.871 757 2HB LYS 112 1HB LYS 112 0.481 18.847 23.015 758 1HG LYS 112 1HG LYS 112 2.762 17.099 23.945 759 2HG LYS 112 2HG LYS 112 3.007 18.793 23.523 760 1HD LYS 112 1HD LYS 112 1.153 19.371 25.143 761 2HD LYS 112 2HD LYS 112 1.174 17.686 25.666 762 1HE LYS 112 1HE LYS 112 2.747 18.426 27.165 763 2HE LYS 112 2HE LYS 112 3.851 18.339 25.779 764 1HZ LYS 112 1HZ LYS 112 2.572 20.666 25.345 765 2HZ LYS 112 2HZ LYS 112 2.645 20.654 27.042 766 3HZ LYS 112 3HZ LYS 112 4.073 20.540 26.130 767 H ILE 113 H ILE 113 -2.189 17.176 22.985 768 HA ILE 113 HA ILE 113 -2.445 16.762 20.085 769 HB ILE 113 HB ILE 113 -2.359 14.481 20.955 770 1HG1 ILE 113 1HG1 ILE 113 -4.130 15.288 19.198 771 2HG1 ILE 113 2HG1 ILE 113 -4.261 13.666 19.871 772 1HG2 ILE 113 1HG2 ILE 113 -4.498 15.496 22.838 773 2HG2 ILE 113 2HG2 ILE 113 -4.201 13.777 22.571 774 3HG2 ILE 113 3HG2 ILE 113 -2.933 14.797 23.253 775 1HD1 ILE 113 1HD1 ILE 113 -5.634 15.671 21.508 776 2HD1 ILE 113 2HD1 ILE 113 -6.269 15.583 19.865 777 3HD1 ILE 113 3HD1 ILE 113 -6.232 14.138 20.875 778 H VAL 114 H VAL 114 -4.609 17.351 19.326 779 HA VAL 114 HA VAL 114 -6.108 19.005 21.323 780 HB VAL 114 HB VAL 114 -5.170 19.340 18.578 781 1HG1 VAL 114 1HG1 VAL 114 -8.114 19.697 19.138 782 2HG1 VAL 114 2HG1 VAL 114 -7.285 20.697 17.945 783 3HG1 VAL 114 3HG1 VAL 114 -7.344 18.947 17.739 784 1HG2 VAL 114 1HG2 VAL 114 -4.836 20.827 20.612 785 2HG2 VAL 114 2HG2 VAL 114 -5.337 21.661 19.140 786 3HG2 VAL 114 3HG2 VAL 114 -6.514 21.332 20.412 787 H TYR 115 H TYR 115 -7.905 17.943 22.043 788 HA TYR 115 HA TYR 115 -9.128 15.802 20.436 789 1HB TYR 115 2HB TYR 115 -9.677 15.070 22.508 790 2HB TYR 115 1HB TYR 115 -8.760 16.429 23.145 791 HD1 TYR 115 HD1 TYR 115 -9.953 18.614 23.628 792 HD2 TYR 115 HD2 TYR 115 -12.045 14.982 22.686 793 HE1 TYR 115 HE1 TYR 115 -12.031 19.567 24.576 794 HE2 TYR 115 HE2 TYR 115 -14.127 15.937 23.638 795 HH TYR 115 HH TYR 115 -14.741 17.700 25.308 796 H ASN 116 H ASN 116 -11.432 15.839 19.861 797 HA ASN 116 HA ASN 116 -13.434 16.878 19.121 798 1HB ASN 116 1HB ASN 116 -12.617 18.292 21.356 799 2HB ASN 116 2HB ASN 116 -12.728 19.551 20.129 800 2HD2 ASN 116 2HD2 ASN 116 -14.564 18.760 22.510 801 1HD2 ASN 116 1HD2 ASN 116 -16.105 18.660 21.807 802 H ALA 117 H ALA 117 -11.043 16.760 17.502 803 HA ALA 117 HA ALA 117 -10.406 19.251 16.234 804 1HB ALA 117 1HB ALA 117 -9.386 16.793 16.197 805 2HB ALA 117 3HB ALA 117 -9.154 17.883 14.830 806 3HB ALA 117 2HB ALA 117 -10.403 16.639 14.763 807 H LYS 118 H LYS 118 -13.260 17.383 16.169 808 HA LYS 118 HA LYS 118 -14.175 17.714 13.495 809 1HB LYS 118 2HB LYS 118 -16.378 17.323 14.523 810 2HB LYS 118 1HB LYS 118 -15.169 16.273 15.264 811 1HG LYS 118 2HG LYS 118 -15.669 17.144 17.277 812 2HG LYS 118 1HG LYS 118 -15.159 18.732 16.704 813 1HD LYS 118 2HD LYS 118 -17.475 18.859 17.474 814 2HD LYS 118 1HD LYS 118 -17.431 19.062 15.723 815 1HE LYS 118 1HE LYS 118 -18.865 17.317 15.533 816 2HE LYS 118 2HE LYS 118 -17.626 16.261 16.238 817 H HIS 119 H HIS 119 -13.605 20.056 15.932 818 HA HIS 119 HA HIS 119 -15.626 21.998 15.151 819 1HB HIS 119 1HB HIS 119 -13.042 22.061 16.729 820 2HB HIS 119 2HB HIS 119 -14.081 23.475 16.551 821 HD1 HIS 119 HD1 HIS 119 -16.798 22.697 17.086 822 HD2 HIS 119 HD2 HIS 119 -13.687 20.735 19.048 823 HE1 HIS 119 HE1 HIS 119 -17.814 21.622 19.142 824 H LEU 120 H LEU 120 -12.376 21.186 14.103 825 HA LEU 120 HA LEU 120 -11.346 23.429 12.895 826 1HB LEU 120 1HB LEU 120 -11.307 20.560 12.518 827 2HB LEU 120 2HB LEU 120 -11.185 21.374 10.958 828 HG LEU 120 HG LEU 120 -9.536 22.758 12.862 829 1HD1 LEU 120 1HD1 LEU 120 -9.736 20.210 13.722 830 2HD1 LEU 120 2HD1 LEU 120 -8.473 20.001 12.509 831 3HD1 LEU 120 3HD1 LEU 120 -8.238 21.135 13.838 832 1HD2 LEU 120 1HD2 LEU 120 -9.505 21.871 10.173 833 2HD2 LEU 120 2HD2 LEU 120 -8.334 22.926 10.964 834 3HD2 LEU 120 3HD2 LEU 120 -8.073 21.182 10.937 835 H ASP 121 H ASP 121 -11.891 24.764 11.169 836 HA ASP 121 HA ASP 121 -14.509 25.042 10.221 837 1HB ASP 121 1HB ASP 121 -11.885 26.077 9.714 838 2HB ASP 121 2HB ASP 121 -12.675 25.797 8.162 839 H TYR 122 H TYR 122 -11.808 23.387 8.535 840 HA TYR 122 HA TYR 122 -13.306 22.442 6.308 841 1HB TYR 122 1HB TYR 122 -10.862 22.468 6.445 842 2HB TYR 122 2HB TYR 122 -10.901 21.316 7.779 843 HD1 TYR 122 HD1 TYR 122 -12.463 21.590 4.368 844 HD2 TYR 122 HD2 TYR 122 -10.344 19.141 7.190 845 HE1 TYR 122 HE1 TYR 122 -12.470 19.713 2.746 846 HE2 TYR 122 HE2 TYR 122 -10.350 17.265 5.569 847 HH TYR 122 HH TYR 122 -11.555 17.689 2.274 848 H LEU 123 H LEU 123 -12.963 21.211 9.587 849 HA LEU 123 HA LEU 123 -14.289 18.654 8.988 850 1HB LEU 123 1HB LEU 123 -12.903 20.026 11.210 851 2HB LEU 123 2HB LEU 123 -14.199 18.943 11.715 852 HG LEU 123 HG LEU 123 -11.852 17.912 11.464 853 1HD1 LEU 123 1HD1 LEU 123 -13.931 16.585 11.626 854 2HD1 LEU 123 2HD1 LEU 123 -14.162 16.738 9.884 855 3HD1 LEU 123 3HD1 LEU 123 -12.784 15.836 10.515 856 1HD2 LEU 123 1HD2 LEU 123 -11.525 19.129 9.217 857 2HD2 LEU 123 2HD2 LEU 123 -11.050 17.432 9.280 858 3HD2 LEU 123 3HD2 LEU 123 -12.578 17.893 8.530 859 H GLN 124 H GLN 124 -15.110 21.782 10.446 860 HA GLN 124 HA GLN 124 -17.676 21.077 11.504 861 1HB GLN 124 1HB GLN 124 -16.134 23.167 11.772 862 2HB GLN 124 2HB GLN 124 -16.962 23.762 10.333 863 1HG GLN 124 1HG GLN 124 -19.071 23.767 11.415 864 2HG GLN 124 2HG GLN 124 -18.495 22.732 12.722 865 2HE2 GLN 124 2HE2 GLN 124 -17.693 23.778 14.575 866 1HE2 GLN 124 1HE2 GLN 124 -17.374 25.442 14.672 867 H ASN 125 H ASN 125 -16.574 21.726 8.252 868 HA ASN 125 HA ASN 125 -18.814 22.608 6.874 869 1HB ASN 125 1HB ASN 125 -16.363 21.443 6.313 870 2HB ASN 125 2HB ASN 125 -17.508 20.288 5.633 871 2HD2 ASN 125 2HD2 ASN 125 -15.802 23.074 4.870 872 1HD2 ASN 125 1HD2 ASN 125 -16.794 23.664 3.625 873 H ARG 126 H ARG 126 -18.372 19.505 8.450 874 HA ARG 126 HA ARG 126 -21.129 18.724 7.558 875 1HB ARG 126 1HB ARG 126 -18.611 17.058 7.873 876 2HB ARG 126 2HB ARG 126 -20.210 16.376 7.580 877 1HG ARG 126 1HG ARG 126 -20.324 17.224 5.413 878 2HG ARG 126 2HG ARG 126 -19.187 18.528 5.756 879 1HD ARG 126 1HD ARG 126 -17.339 16.879 5.891 880 2HD ARG 126 2HD ARG 126 -18.487 15.576 5.527 881 HE ARG 126 HE ARG 126 -18.999 17.096 3.424 882 1HH1 ARG 126 1HH1 ARG 126 -16.174 15.606 4.460 883 2HH1 ARG 126 2HH1 ARG 126 -15.141 16.351 3.286 884 1HH2 ARG 126 1HH2 ARG 126 -17.582 18.526 2.129 885 2HH2 ARG 126 2HH2 ARG 126 -15.939 18.004 1.966 886 H VAL 127 H VAL 127 -21.027 20.081 9.882 887 HA VAL 127 HA VAL 127 -20.306 18.948 12.304 888 HB VAL 127 HB VAL 127 -22.585 19.992 13.056 889 1HG1 VAL 127 1HG1 VAL 127 -20.073 21.080 12.259 890 2HG1 VAL 127 2HG1 VAL 127 -21.330 22.202 11.735 891 3HG1 VAL 127 3HG1 VAL 127 -21.216 21.735 13.432 892 1HG2 VAL 127 1HG2 VAL 127 -23.157 19.749 10.381 893 2HG2 VAL 127 2HG2 VAL 127 -23.975 20.860 11.480 894 3HG2 VAL 127 3HG2 VAL 127 -22.638 21.431 10.484 895 H ILE 128 H ILE 128 -21.370 17.481 13.786 896 HA ILE 128 HA ILE 128 -22.933 15.357 12.404 897 HB ILE 128 HB ILE 128 -21.399 15.571 15.007 898 1HG1 ILE 128 1HG1 ILE 128 -20.886 13.532 12.889 899 2HG1 ILE 128 2HG1 ILE 128 -20.425 15.197 12.539 900 1HG2 ILE 128 1HG2 ILE 128 -23.147 13.345 13.938 901 2HG2 ILE 128 2HG2 ILE 128 -21.877 13.062 15.129 902 3HG2 ILE 128 3HG2 ILE 128 -23.232 14.124 15.518 903 1HD1 ILE 128 1HD1 ILE 128 -19.661 13.921 15.158 904 2HD1 ILE 128 2HD1 ILE 128 -18.687 13.648 13.714 905 3HD1 ILE 128 3HD1 ILE 128 -18.907 15.285 14.332 No H/Q in entry = 905 Start of MODEL 12 1 H2 PRO 1 H2 PRO 1 3.369 7.684 31.484 2 H3 PRO 1 H3 PRO 1 4.419 6.805 30.473 3 HA PRO 1 HA PRO 1 3.004 7.133 28.805 4 1HB PRO 1 1HB PRO 1 0.708 5.802 29.472 5 2HB PRO 1 2HB PRO 1 2.215 4.973 29.039 6 1HG PRO 1 1HG PRO 1 1.043 5.507 31.726 7 2HG PRO 1 2HG PRO 1 1.875 4.065 31.127 8 1HD PRO 1 1HD PRO 1 3.058 5.939 32.716 9 2HD PRO 1 2HD PRO 1 3.952 4.937 31.555 10 H THR 2 H THR 2 2.964 9.494 29.849 11 HA THR 2 HA THR 2 0.214 10.212 30.758 12 HB THR 2 HB THR 2 2.883 11.656 30.713 13 HG1 THR 2 HG1 THR 2 3.061 10.671 32.537 14 1HG2 THR 2 1HG2 THR 2 0.115 12.561 31.481 15 2HG2 THR 2 2HG2 THR 2 1.541 13.273 32.236 16 3HG2 THR 2 3HG2 THR 2 1.313 13.395 30.491 17 H VAL 3 H VAL 3 -1.145 11.342 29.405 18 HA VAL 3 HA VAL 3 0.016 12.495 26.889 19 HB VAL 3 HB VAL 3 -2.475 10.836 27.374 20 1HG1 VAL 3 1HG1 VAL 3 -2.219 12.990 25.581 21 2HG1 VAL 3 2HG1 VAL 3 -1.982 11.541 24.603 22 3HG1 VAL 3 3HG1 VAL 3 -3.457 11.733 25.553 23 1HG2 VAL 3 1HG2 VAL 3 0.200 10.321 26.410 24 2HG2 VAL 3 2HG2 VAL 3 -1.109 9.176 26.700 25 3HG2 VAL 3 3HG2 VAL 3 -0.972 9.981 25.137 26 H GLU 4 H GLU 4 -0.347 14.681 26.896 27 HA GLU 4 HA GLU 4 -2.392 15.853 28.667 28 1HB GLU 4 1HB GLU 4 0.078 16.587 28.032 29 2HB GLU 4 2HB GLU 4 -0.738 17.379 26.683 30 1HG GLU 4 1HG GLU 4 -2.135 18.651 28.188 31 2HG GLU 4 2HG GLU 4 -1.555 17.737 29.580 32 H TYR 5 H TYR 5 -4.481 16.007 27.909 33 HA TYR 5 HA TYR 5 -4.942 16.205 24.976 34 1HB TYR 5 1HB TYR 5 -7.253 15.652 25.600 35 2HB TYR 5 2HB TYR 5 -6.139 14.527 26.373 36 HD1 TYR 5 HD1 TYR 5 -8.154 17.613 26.943 37 HD2 TYR 5 HD2 TYR 5 -6.007 14.355 28.736 38 HE1 TYR 5 HE1 TYR 5 -9.056 18.241 29.168 39 HE2 TYR 5 HE2 TYR 5 -6.905 14.984 30.960 40 HH TYR 5 HH TYR 5 -9.415 17.375 31.316 41 H LEU 6 H LEU 6 -5.625 18.099 24.040 42 HA LEU 6 HA LEU 6 -6.492 20.333 25.842 43 1HB LEU 6 1HB LEU 6 -4.232 20.787 25.269 44 2HB LEU 6 2HB LEU 6 -4.445 20.204 23.623 45 HG LEU 6 HG LEU 6 -5.400 22.179 22.901 46 1HD1 LEU 6 1HD1 LEU 6 -6.588 22.216 25.621 47 2HD1 LEU 6 2HD1 LEU 6 -6.300 23.793 24.886 48 3HD1 LEU 6 3HD1 LEU 6 -7.320 22.613 24.066 49 1HD2 LEU 6 1HD2 LEU 6 -3.388 22.597 25.004 50 2HD2 LEU 6 2HD2 LEU 6 -3.448 23.227 23.358 51 3HD2 LEU 6 3HD2 LEU 6 -4.357 24.026 24.641 52 H ASN 7 H ASN 7 -8.639 20.556 25.312 53 HA ASN 7 HA ASN 7 -10.019 19.762 23.038 54 1HB ASN 7 2HB ASN 7 -11.696 21.335 23.772 55 2HB ASN 7 1HB ASN 7 -10.861 20.758 25.214 56 2HD2 ASN 7 2HD2 ASN 7 -12.240 23.433 24.620 57 1HD2 ASN 7 1HD2 ASN 7 -11.064 24.599 24.990 58 H TYR 8 H TYR 8 -9.715 20.271 20.913 59 HA TYR 8 HA TYR 8 -8.044 22.358 19.935 60 1HB TYR 8 1HB TYR 8 -8.556 20.547 18.497 61 2HB TYR 8 2HB TYR 8 -10.285 20.666 18.820 62 HD1 TYR 8 HD1 TYR 8 -11.518 22.771 18.020 63 HD2 TYR 8 HD2 TYR 8 -7.593 21.682 16.658 64 HE1 TYR 8 HE1 TYR 8 -11.790 24.255 16.052 65 HE2 TYR 8 HE2 TYR 8 -7.864 23.167 14.689 66 HH TYR 8 HH TYR 8 -10.935 24.771 14.007 67 H GLU 9 H GLU 9 -11.329 22.371 21.076 68 HA GLU 9 HA GLU 9 -12.412 24.634 19.751 69 1HB GLU 9 1HB GLU 9 -13.460 22.928 21.370 70 2HB GLU 9 2HB GLU 9 -12.789 23.913 22.670 71 1HG GLU 9 1HG GLU 9 -14.814 24.975 22.491 72 2HG GLU 9 2HG GLU 9 -13.972 25.854 21.215 73 H THR 10 H THR 10 -10.343 24.377 22.627 74 HA THR 10 HA THR 10 -10.333 27.157 23.336 75 HB THR 10 HB THR 10 -8.532 24.772 23.761 76 HG1 THR 10 HG1 THR 10 -9.366 24.924 25.802 77 1HG2 THR 10 1HG2 THR 10 -8.078 27.623 24.664 78 2HG2 THR 10 2HG2 THR 10 -7.317 26.235 25.442 79 3HG2 THR 10 3HG2 THR 10 -6.973 26.595 23.750 80 H LEU 11 H LEU 11 -8.589 25.287 20.925 81 HA LEU 11 HA LEU 11 -6.482 27.187 20.404 82 1HB LEU 11 1HB LEU 11 -7.180 24.621 19.660 83 2HB LEU 11 2HB LEU 11 -7.454 25.527 18.172 84 HG LEU 11 HG LEU 11 -4.899 25.531 19.809 85 1HD1 LEU 11 1HD1 LEU 11 -5.737 24.213 17.226 86 2HD1 LEU 11 2HD1 LEU 11 -4.041 24.541 17.580 87 3HD1 LEU 11 3HD1 LEU 11 -4.971 23.478 18.634 88 1HD2 LEU 11 1HD2 LEU 11 -5.940 27.242 17.629 89 2HD2 LEU 11 2HD2 LEU 11 -4.704 27.587 18.837 90 3HD2 LEU 11 3HD2 LEU 11 -4.293 26.654 17.398 91 H ASP 12 H ASP 12 -9.636 26.564 18.828 92 HA ASP 12 HA ASP 12 -9.362 28.813 16.987 93 1HB ASP 12 1HB ASP 12 -10.634 26.696 16.568 94 2HB ASP 12 2HB ASP 12 -11.778 27.173 17.824 95 H ASP 13 H ASP 13 -11.165 28.180 20.000 96 HA ASP 13 HA ASP 13 -12.715 30.513 20.182 97 1HB ASP 13 1HB ASP 13 -12.951 28.769 21.790 98 2HB ASP 13 2HB ASP 13 -11.238 28.819 22.206 99 H GLN 14 H GLN 14 -9.522 30.105 21.771 100 HA GLN 14 HA GLN 14 -9.179 32.933 22.242 101 1HB GLN 14 1HB GLN 14 -7.154 30.673 22.106 102 2HB GLN 14 2HB GLN 14 -6.936 32.212 22.939 103 1HG GLN 14 1HG GLN 14 -9.353 30.614 23.646 104 2HG GLN 14 2HG GLN 14 -7.797 30.010 24.214 105 2HE2 GLN 14 2HE2 GLN 14 -8.485 30.592 26.455 106 1HE2 GLN 14 1HE2 GLN 14 -8.423 32.210 26.965 107 H GLY 15 H GLY 15 -8.389 30.790 19.575 108 1HA GLY 15 2HA GLY 15 -7.754 33.075 17.873 109 2HA GLY 15 1HA GLY 15 -7.766 31.384 17.373 110 H TRP 16 H TRP 16 -5.940 30.224 19.055 111 HA TRP 16 HA TRP 16 -3.442 31.843 18.810 112 1HB TRP 16 1HB TRP 16 -4.371 29.505 20.471 113 2HB TRP 16 2HB TRP 16 -2.654 29.881 20.336 114 HD1 TRP 16 HD1 TRP 16 -3.137 33.098 20.171 115 HE1 TRP 16 HE1 TRP 16 -3.667 34.350 22.362 116 HE3 TRP 16 HE3 TRP 16 -4.771 29.202 23.040 117 HZ2 TRP 16 HZ2 TRP 16 -4.654 33.775 24.985 118 HZ3 TRP 16 HZ3 TRP 16 -5.499 29.582 25.377 119 HH2 TRP 16 HH2 TRP 16 -5.443 31.861 26.354 120 H ASP 17 H ASP 17 -1.457 30.255 18.409 121 HA ASP 17 HA ASP 17 -1.853 29.086 15.767 122 1HB ASP 17 1HB ASP 17 0.313 29.807 17.626 123 2HB ASP 17 2HB ASP 17 0.668 28.389 16.640 124 H MET 18 H MET 18 -0.841 26.817 15.381 125 HA MET 18 HA MET 18 -2.333 24.858 16.905 126 1HB MET 18 1HB MET 18 -0.954 25.101 14.444 127 2HB MET 18 2HB MET 18 -0.176 23.776 15.309 128 1HG MET 18 2HG MET 18 -1.897 22.550 14.436 129 2HG MET 18 1HG MET 18 -2.792 23.214 15.803 130 1HE MET 18 1HE MET 18 -4.168 22.051 13.860 131 2HE MET 18 2HE MET 18 -5.258 23.081 12.922 132 3HE MET 18 3HE MET 18 -3.750 22.511 12.213 133 H ASP 19 H ASP 19 1.179 25.500 16.564 134 HA ASP 19 HA ASP 19 1.561 24.248 19.263 135 1HB ASP 19 1HB ASP 19 3.200 23.925 16.728 136 2HB ASP 19 2HB ASP 19 3.650 23.262 18.298 137 H ASP 20 H ASP 20 1.768 27.042 17.532 138 HA ASP 20 HA ASP 20 4.418 27.976 18.352 139 1HB ASP 20 1HB ASP 20 2.613 28.615 16.417 140 2HB ASP 20 2HB ASP 20 2.274 29.882 17.596 141 H ASP 21 H ASP 21 1.058 28.808 19.307 142 HA ASP 21 HA ASP 21 1.938 30.480 21.525 143 1HB ASP 21 1HB ASP 21 -0.178 30.675 20.135 144 2HB ASP 21 2HB ASP 21 -0.779 29.252 20.987 145 H ASP 22 H ASP 22 2.095 27.206 21.182 146 HA ASP 22 HA ASP 22 2.023 25.381 22.702 147 1HB ASP 22 1HB ASP 22 3.380 27.740 23.792 148 2HB ASP 22 2HB ASP 22 2.835 26.628 25.049 149 H LEU 23 H LEU 23 -0.544 26.195 22.381 150 HA LEU 23 HA LEU 23 -2.105 27.288 24.364 151 1HB LEU 23 1HB LEU 23 -2.485 24.714 22.808 152 2HB LEU 23 2HB LEU 23 -3.785 25.541 23.665 153 HG LEU 23 HG LEU 23 -2.554 27.553 22.161 154 1HD1 LEU 23 1HD1 LEU 23 -2.347 24.904 20.845 155 2HD1 LEU 23 2HD1 LEU 23 -3.023 26.195 19.852 156 3HD1 LEU 23 3HD1 LEU 23 -1.419 26.376 20.562 157 1HD2 LEU 23 1HD2 LEU 23 -5.029 25.881 21.639 158 2HD2 LEU 23 2HD2 LEU 23 -4.943 27.387 22.552 159 3HD2 LEU 23 3HD2 LEU 23 -4.667 27.395 20.810 160 H PHE 24 H PHE 24 -0.884 23.912 24.398 161 HA PHE 24 HA PHE 24 -1.979 22.941 26.758 162 1HB PHE 24 1HB PHE 24 0.777 22.710 25.526 163 2HB PHE 24 2HB PHE 24 0.323 21.776 26.952 164 HD1 PHE 24 HD1 PHE 24 -1.740 20.283 26.827 165 HD2 PHE 24 HD2 PHE 24 0.088 22.042 23.361 166 HE1 PHE 24 HE1 PHE 24 -2.898 18.634 25.380 167 HE2 PHE 24 HE2 PHE 24 -1.071 20.396 21.915 168 HZ PHE 24 HZ PHE 24 -2.563 18.691 22.923 169 H GLU 25 H GLU 25 0.519 25.365 26.348 170 HA GLU 25 HA GLU 25 1.220 25.451 29.207 171 1HB GLU 25 1HB GLU 25 2.598 25.966 27.002 172 2HB GLU 25 2HB GLU 25 1.896 27.573 27.191 173 1HG GLU 25 1HG GLU 25 2.754 26.885 29.763 174 2HG GLU 25 2HG GLU 25 4.041 26.308 28.705 175 H LYS 26 H LYS 26 -0.382 27.661 26.883 176 HA LYS 26 HA LYS 26 -1.152 29.602 28.872 177 1HB LYS 26 1HB LYS 26 -1.594 28.988 26.014 178 2HB LYS 26 2HB LYS 26 -2.895 29.903 26.776 179 1HG LYS 26 1HG LYS 26 -1.641 31.771 26.698 180 2HG LYS 26 2HG LYS 26 -0.389 30.982 27.657 181 1HD LYS 26 1HD LYS 26 -0.439 30.076 24.867 182 2HD LYS 26 2HD LYS 26 -0.112 31.802 25.026 183 1HE LYS 26 1HE LYS 26 1.650 31.209 26.761 184 2HE LYS 26 2HE LYS 26 1.425 29.512 26.296 185 1HZ LYS 26 1HZ LYS 26 1.574 30.712 23.906 186 2HZ LYS 26 2HZ LYS 26 2.622 31.699 24.806 187 3HZ LYS 26 3HZ LYS 26 2.912 30.029 24.698 188 H ALA 27 H ALA 27 -2.587 26.618 27.706 189 HA ALA 27 HA ALA 27 -5.253 27.119 28.774 190 1HB ALA 27 1HB ALA 27 -4.796 25.598 26.897 191 2HB ALA 27 3HB ALA 27 -3.774 24.601 27.934 192 3HB ALA 27 2HB ALA 27 -5.509 24.695 28.234 193 H ALA 28 H ALA 28 -2.301 26.516 30.262 194 HA ALA 28 HA ALA 28 -3.424 24.874 32.470 195 1HB ALA 28 1HB ALA 28 -0.659 25.954 31.830 196 2HB ALA 28 3HB ALA 28 -1.235 24.315 31.524 197 3HB ALA 28 2HB ALA 28 -1.023 24.881 33.181 198 H ASP 29 H ASP 29 -2.652 28.178 31.701 199 HA ASP 29 HA ASP 29 -2.725 28.975 34.572 200 1HB ASP 29 1HB ASP 29 -1.262 29.754 32.321 201 2HB ASP 29 2HB ASP 29 -2.408 31.072 32.564 202 H ALA 30 H ALA 30 -4.672 28.933 31.697 203 HA ALA 30 HA ALA 30 -6.466 31.103 32.481 204 1HB ALA 30 1HB ALA 30 -6.760 28.823 30.495 205 2HB ALA 30 3HB ALA 30 -7.733 30.293 30.529 206 3HB ALA 30 2HB ALA 30 -6.015 30.382 30.143 207 H GLY 31 H GLY 31 -6.096 27.800 33.365 208 1HA GLY 31 2HA GLY 31 -8.222 27.875 35.272 209 2HA GLY 31 1HA GLY 31 -7.381 26.413 34.755 210 H LEU 32 H LEU 32 -8.098 26.875 31.906 211 HA LEU 32 HA LEU 32 -10.877 27.096 31.447 212 1HB LEU 32 1HB LEU 32 -8.472 26.148 30.122 213 2HB LEU 32 2HB LEU 32 -9.859 25.149 29.688 214 HG LEU 32 HG LEU 32 -10.835 27.775 29.639 215 1HD1 LEU 32 1HD1 LEU 32 -8.070 27.970 29.461 216 2HD1 LEU 32 2HD1 LEU 32 -8.587 27.981 27.774 217 3HD1 LEU 32 3HD1 LEU 32 -9.223 29.181 28.900 218 1HD2 LEU 32 1HD2 LEU 32 -10.314 25.557 27.804 219 2HD2 LEU 32 2HD2 LEU 32 -11.689 26.659 27.865 220 3HD2 LEU 32 3HD2 LEU 32 -10.223 27.126 27.003 221 H ASP 33 H ASP 33 -12.338 25.197 30.830 222 HA ASP 33 HA ASP 33 -12.890 23.504 32.996 223 1HB ASP 33 1HB ASP 33 -13.527 23.648 30.096 224 2HB ASP 33 2HB ASP 33 -13.873 22.112 30.888 225 H GLY 34 H GLY 34 -12.267 21.387 33.546 226 1HA GLY 34 2HA GLY 34 -10.743 19.601 33.712 227 2HA GLY 34 1HA GLY 34 -9.679 20.486 32.619 228 H GLU 35 H GLU 35 -13.014 19.675 31.853 229 HA GLU 35 HA GLU 35 -12.570 17.241 30.422 230 1HB GLU 35 1HB GLU 35 -14.771 17.964 31.107 231 2HB GLU 35 2HB GLU 35 -14.613 19.471 30.204 232 1HG GLU 35 1HG GLU 35 -14.516 18.195 28.091 233 2HG GLU 35 2HG GLU 35 -14.677 16.689 28.994 234 H ASP 36 H ASP 36 -11.670 20.469 29.703 235 HA ASP 36 HA ASP 36 -11.494 19.941 26.773 236 1HB ASP 36 1HB ASP 36 -11.434 22.331 28.597 237 2HB ASP 36 2HB ASP 36 -10.757 22.464 26.973 238 H TYR 37 H TYR 37 -9.405 21.454 29.269 239 HA TYR 37 HA TYR 37 -7.044 20.220 27.885 240 1HB TYR 37 1HB TYR 37 -6.968 22.584 27.650 241 2HB TYR 37 2HB TYR 37 -7.518 22.846 29.306 242 HD1 TYR 37 HD1 TYR 37 -4.675 21.556 27.267 243 HD2 TYR 37 HD2 TYR 37 -5.979 22.968 31.109 244 HE1 TYR 37 HE1 TYR 37 -2.322 21.616 28.044 245 HE2 TYR 37 HE2 TYR 37 -3.625 23.027 31.886 246 HH TYR 37 HH TYR 37 -1.312 21.513 30.857 247 H GLY 38 H GLY 38 -5.819 18.851 29.127 248 1HA GLY 38 2HA GLY 38 -6.636 18.019 31.726 249 2HA GLY 38 1HA GLY 38 -5.293 19.147 31.902 250 H THR 39 H THR 39 -3.954 17.391 32.696 251 HA THR 39 HA THR 39 -2.535 15.987 30.556 252 HB THR 39 HB THR 39 -2.217 15.662 33.547 253 HG1 THR 39 HG1 THR 39 -1.524 17.636 33.668 254 1HG2 THR 39 1HG2 THR 39 -0.549 15.255 31.100 255 2HG2 THR 39 2HG2 THR 39 0.262 15.762 32.582 256 3HG2 THR 39 3HG2 THR 39 -0.668 14.265 32.554 257 H MET 40 H MET 40 -3.312 14.070 29.766 258 HA MET 40 HA MET 40 -5.176 12.431 31.355 259 1HB MET 40 1HB MET 40 -4.729 13.011 28.663 260 2HB MET 40 2HB MET 40 -4.191 11.341 28.828 261 1HG MET 40 1HG MET 40 -6.310 10.639 29.666 262 2HG MET 40 2HG MET 40 -6.835 12.301 29.937 263 1HE MET 40 1HE MET 40 -5.606 9.756 27.269 264 2HE MET 40 2HE MET 40 -7.206 9.339 27.877 265 3HE MET 40 3HE MET 40 -7.003 9.788 26.185 266 H GLU 41 H GLU 41 -4.704 10.307 32.083 267 HA GLU 41 HA GLU 41 -1.828 9.466 31.900 268 1HB GLU 41 1HB GLU 41 -3.687 9.901 34.186 269 2HB GLU 41 2HB GLU 41 -2.619 8.502 34.299 270 1HG GLU 41 1HG GLU 41 -0.685 9.812 34.269 271 2HG GLU 41 2HG GLU 41 -1.493 11.164 33.476 272 H VAL 42 H VAL 42 -1.968 7.693 30.524 273 HA VAL 42 HA VAL 42 -4.090 5.659 31.139 274 HB VAL 42 HB VAL 42 -4.175 5.217 28.792 275 1HG1 VAL 42 1HG1 VAL 42 -4.718 7.726 29.808 276 2HG1 VAL 42 2HG1 VAL 42 -3.707 8.091 28.409 277 3HG1 VAL 42 3HG1 VAL 42 -5.190 7.158 28.206 278 1HG2 VAL 42 1HG2 VAL 42 -1.440 6.254 28.896 279 2HG2 VAL 42 2HG2 VAL 42 -2.174 5.144 27.738 280 3HG2 VAL 42 3HG2 VAL 42 -2.354 6.886 27.527 281 H ALA 43 H ALA 43 -3.416 3.473 31.223 282 HA ALA 43 HA ALA 43 -0.730 2.946 32.090 283 1HB ALA 43 1HB ALA 43 -3.140 1.738 32.282 284 2HB ALA 43 3HB ALA 43 -1.627 0.877 32.555 285 3HB ALA 43 2HB ALA 43 -2.434 0.765 30.992 286 H GLU 44 H GLU 44 0.748 1.355 30.979 287 HA GLU 44 HA GLU 44 1.393 2.188 28.306 288 1HB GLU 44 1HB GLU 44 2.271 0.155 30.305 289 2HB GLU 44 2HB GLU 44 2.777 -0.100 28.634 290 1HG GLU 44 1HG GLU 44 3.315 2.545 28.885 291 2HG GLU 44 2HG GLU 44 3.569 2.026 30.551 292 H GLY 45 H GLY 45 0.345 1.568 26.460 293 1HA GLY 45 2HA GLY 45 -0.450 -1.239 26.105 294 2HA GLY 45 1HA GLY 45 -0.519 0.019 24.873 295 H GLU 46 H GLU 46 -1.900 1.526 27.366 296 HA GLU 46 HA GLU 46 -4.551 0.229 27.309 297 1HB GLU 46 1HB GLU 46 -3.521 1.229 29.351 298 2HB GLU 46 2HB GLU 46 -3.565 2.810 28.572 299 1HG GLU 46 1HG GLU 46 -5.671 3.068 29.328 300 2HG GLU 46 2HG GLU 46 -6.163 1.725 28.297 301 H TYR 47 H TYR 47 -6.154 0.829 25.904 302 HA TYR 47 HA TYR 47 -5.775 2.594 23.723 303 1HB TYR 47 1HB TYR 47 -8.377 1.830 25.082 304 2HB TYR 47 2HB TYR 47 -8.152 2.238 23.380 305 HD1 TYR 47 HD1 TYR 47 -5.465 0.786 23.047 306 HD2 TYR 47 HD2 TYR 47 -9.210 -0.420 24.772 307 HE1 TYR 47 HE1 TYR 47 -4.929 -1.584 22.553 308 HE2 TYR 47 HE2 TYR 47 -8.674 -2.791 24.277 309 HH TYR 47 HH TYR 47 -5.904 -3.989 23.813 310 H ILE 48 H ILE 48 -5.606 4.792 23.747 311 HA ILE 48 HA ILE 48 -5.876 6.514 25.925 312 HB ILE 48 HB ILE 48 -6.370 6.963 22.965 313 1HG1 ILE 48 1HG1 ILE 48 -4.135 6.027 23.752 314 2HG1 ILE 48 2HG1 ILE 48 -4.045 7.552 22.870 315 1HG2 ILE 48 1HG2 ILE 48 -7.291 8.782 24.448 316 2HG2 ILE 48 2HG2 ILE 48 -5.661 9.014 25.083 317 3HG2 ILE 48 3HG2 ILE 48 -5.995 9.318 23.379 318 1HD1 ILE 48 1HD1 ILE 48 -4.243 7.478 25.883 319 2HD1 ILE 48 2HD1 ILE 48 -2.687 7.378 25.057 320 3HD1 ILE 48 3HD1 ILE 48 -3.704 8.805 24.854 321 H LEU 49 H LEU 49 -8.296 6.557 23.290 322 HA LEU 49 HA LEU 49 -10.351 7.934 24.478 323 1HB LEU 49 1HB LEU 49 -10.196 6.805 22.191 324 2HB LEU 49 2HB LEU 49 -10.765 5.335 22.982 325 HG LEU 49 HG LEU 49 -12.596 7.098 23.917 326 1HD1 LEU 49 1HD1 LEU 49 -11.635 8.966 22.614 327 2HD1 LEU 49 2HD1 LEU 49 -11.863 8.044 21.127 328 3HD1 LEU 49 3HD1 LEU 49 -13.262 8.579 22.057 329 1HD2 LEU 49 1HD2 LEU 49 -12.690 5.687 21.232 330 2HD2 LEU 49 2HD2 LEU 49 -13.053 4.949 22.792 331 3HD2 LEU 49 3HD2 LEU 49 -14.092 6.225 22.156 332 H GLU 50 H GLU 50 -9.460 4.569 25.164 333 HA GLU 50 HA GLU 50 -11.765 3.976 26.813 334 1HB GLU 50 1HB GLU 50 -10.168 2.393 25.619 335 2HB GLU 50 2HB GLU 50 -8.995 2.752 26.887 336 1HG GLU 50 1HG GLU 50 -10.357 1.793 28.572 337 2HG GLU 50 2HG GLU 50 -11.789 1.813 27.543 338 H ALA 51 H ALA 51 -8.360 4.753 27.626 339 HA ALA 51 HA ALA 51 -8.615 4.801 30.436 340 1HB ALA 51 1HB ALA 51 -6.910 6.593 28.687 341 2HB ALA 51 2HB ALA 51 -6.548 6.074 30.333 342 3HB ALA 51 3HB ALA 51 -6.538 4.902 29.015 343 H ALA 52 H ALA 52 -9.150 7.408 28.087 344 HA ALA 52 HA ALA 52 -9.838 9.363 30.155 345 1HB ALA 52 1HB ALA 52 -9.085 9.324 27.442 346 2HB ALA 52 3HB ALA 52 -10.716 9.993 27.464 347 3HB ALA 52 2HB ALA 52 -9.440 10.749 28.419 348 H GLU 53 H GLU 53 -11.558 7.008 28.221 349 HA GLU 53 HA GLU 53 -14.177 8.153 28.305 350 1HB GLU 53 1HB GLU 53 -12.853 5.645 27.657 351 2HB GLU 53 2HB GLU 53 -14.419 5.364 28.415 352 1HG GLU 53 1HG GLU 53 -13.908 7.160 26.024 353 2HG GLU 53 2HG GLU 53 -14.666 5.568 25.973 354 H ALA 54 H ALA 54 -12.464 6.003 30.543 355 HA ALA 54 HA ALA 54 -14.669 5.662 32.379 356 1HB ALA 54 1HB ALA 54 -11.918 5.512 33.429 357 2HB ALA 54 3HB ALA 54 -12.168 4.586 31.949 358 3HB ALA 54 2HB ALA 54 -13.163 4.265 33.370 359 H GLN 55 H GLN 55 -12.787 8.367 31.650 360 HA GLN 55 HA GLN 55 -12.945 9.493 34.410 361 1HB GLN 55 1HB GLN 55 -11.421 10.031 31.883 362 2HB GLN 55 2HB GLN 55 -11.632 11.349 33.034 363 1HG GLN 55 1HG GLN 55 -10.919 9.026 34.521 364 2HG GLN 55 2HG GLN 55 -9.796 9.150 33.167 365 2HE2 GLN 55 2HE2 GLN 55 -7.954 10.172 33.993 366 1HE2 GLN 55 1HE2 GLN 55 -7.972 11.592 34.922 367 H GLY 56 H GLY 56 -14.226 9.892 31.146 368 1HA GLY 56 2HA GLY 56 -15.927 12.132 32.168 369 2HA GLY 56 1HA GLY 56 -16.575 10.855 31.139 370 H TYR 57 H TYR 57 -13.614 11.186 29.910 371 HA TYR 57 HA TYR 57 -13.849 13.709 28.455 372 1HB TYR 57 1HB TYR 57 -12.078 11.257 28.189 373 2HB TYR 57 2HB TYR 57 -11.834 12.754 27.286 374 HD1 TYR 57 HD1 TYR 57 -12.057 14.945 28.952 375 HD2 TYR 57 HD2 TYR 57 -10.734 11.012 30.052 376 HE1 TYR 57 HE1 TYR 57 -10.826 15.897 30.885 377 HE2 TYR 57 HE2 TYR 57 -9.502 11.959 31.977 378 HH TYR 57 HH TYR 57 -9.745 14.116 33.430 379 H ASP 58 H ASP 58 -15.726 13.683 27.155 380 HA ASP 58 HA ASP 58 -16.383 11.350 25.493 381 1HB ASP 58 1HB ASP 58 -17.475 14.140 25.902 382 2HB ASP 58 2HB ASP 58 -18.153 13.046 24.696 383 H TRP 59 H TRP 59 -15.626 11.045 23.437 384 HA TRP 59 HA TRP 59 -14.153 13.292 22.126 385 1HB TRP 59 2HB TRP 59 -14.173 10.293 21.644 386 2HB TRP 59 1HB TRP 59 -13.083 11.448 20.878 387 HD1 TRP 59 HD1 TRP 59 -13.943 10.006 24.336 388 HE1 TRP 59 HE1 TRP 59 -11.886 10.275 25.867 389 HE3 TRP 59 HE3 TRP 59 -10.882 12.679 21.243 390 HZ2 TRP 59 HZ2 TRP 59 -9.285 11.467 25.792 391 HZ3 TRP 59 HZ3 TRP 59 -8.624 13.366 21.996 392 HH2 TRP 59 HH2 TRP 59 -7.824 12.763 24.265 393 HA PRO 60 HA PRO 60 -17.110 13.624 18.910 394 1HB PRO 60 1HB PRO 60 -15.531 13.910 16.687 395 2HB PRO 60 2HB PRO 60 -15.736 15.186 17.902 396 1HG PRO 60 2HG PRO 60 -13.505 13.235 17.551 397 2HG PRO 60 1HG PRO 60 -13.442 14.954 17.971 398 1HD PRO 60 1HD PRO 60 -13.171 12.964 19.804 399 2HD PRO 60 2HD PRO 60 -13.857 14.553 20.197 400 H PHE 61 H PHE 61 -17.947 11.431 19.042 401 HA PHE 61 HA PHE 61 -16.732 9.163 17.761 402 1HB PHE 61 1HB PHE 61 -18.794 9.656 19.476 403 2HB PHE 61 2HB PHE 61 -19.682 9.320 17.990 404 HD1 PHE 61 HD1 PHE 61 -18.571 7.254 16.590 405 HD2 PHE 61 HD2 PHE 61 -18.372 7.826 20.842 406 HE1 PHE 61 HE1 PHE 61 -18.163 4.826 16.898 407 HE2 PHE 61 HE2 PHE 61 -17.964 5.399 21.149 408 HZ PHE 61 HZ PHE 61 -17.860 3.899 19.177 409 H SER 62 H SER 62 -16.199 10.488 15.681 410 HA SER 62 HA SER 62 -18.414 11.027 13.846 411 1HB SER 62 1HB SER 62 -16.482 12.397 13.667 412 2HB SER 62 2HB SER 62 -15.395 11.009 13.720 413 HG SER 62 HG SER 62 -15.600 11.742 11.604 414 H CYS 63 H CYS 63 -17.044 8.190 14.906 415 HA CYS 63 HA CYS 63 -16.522 6.640 12.596 416 1HB CYS 63 1HB CYS 63 -16.797 6.327 15.377 417 2HB CYS 63 2HB CYS 63 -17.956 5.198 14.676 418 H ARG 64 H ARG 64 -17.907 5.260 11.341 419 HA ARG 64 HA ARG 64 -20.815 5.996 11.452 420 1HB ARG 64 1HB ARG 64 -19.715 6.847 9.473 421 2HB ARG 64 2HB ARG 64 -18.945 5.289 9.173 422 1HG ARG 64 1HG ARG 64 -20.911 4.312 8.411 423 2HG ARG 64 2HG ARG 64 -21.936 5.404 9.343 424 1HD ARG 64 1HD ARG 64 -20.239 6.381 7.028 425 2HD ARG 64 2HD ARG 64 -21.908 5.818 6.815 426 HE ARG 64 HE ARG 64 -21.173 8.029 8.708 427 1HH1 ARG 64 1HH1 ARG 64 -23.872 6.353 8.126 428 2HH1 ARG 64 2HH1 ARG 64 -24.806 7.636 7.431 429 1HH2 ARG 64 1HH2 ARG 64 -22.095 9.767 7.066 430 2HH2 ARG 64 2HH2 ARG 64 -23.799 9.568 6.831 431 H ALA 65 H ALA 65 -18.572 3.353 10.525 432 HA ALA 65 HA ALA 65 -20.360 1.372 11.777 433 1HB ALA 65 1HB ALA 65 -20.596 2.119 9.042 434 2HB ALA 65 2HB ALA 65 -19.879 0.507 9.075 435 3HB ALA 65 3HB ALA 65 -21.425 0.801 9.870 436 H GLY 66 H GLY 66 -18.397 0.945 13.013 437 1HA GLY 66 2HA GLY 66 -16.748 -1.131 11.926 438 2HA GLY 66 1HA GLY 66 -16.450 -0.292 13.448 439 H ALA 67 H ALA 67 -14.642 0.950 13.498 440 HA ALA 67 HA ALA 67 -12.796 2.218 12.743 441 1HB ALA 67 1HB ALA 67 -11.623 0.998 11.205 442 2HB ALA 67 2HB ALA 67 -12.948 -0.152 11.386 443 3HB ALA 67 3HB ALA 67 -12.956 0.999 10.050 444 H CYS 68 H CYS 68 -12.173 3.896 11.093 445 HA CYS 68 HA CYS 68 -14.090 4.775 9.098 446 1HB CYS 68 2HB CYS 68 -14.986 6.672 10.290 447 2HB CYS 68 1HB CYS 68 -15.182 5.270 11.340 448 H ALA 69 H ALA 69 -11.168 4.345 9.419 449 HA ALA 69 HA ALA 69 -9.156 5.416 8.792 450 1HB ALA 69 1HB ALA 69 -10.960 5.982 6.978 451 2HB ALA 69 3HB ALA 69 -9.455 6.901 6.988 452 3HB ALA 69 2HB ALA 69 -10.918 7.596 7.687 453 H ASN 70 H ASN 70 -8.373 6.046 10.865 454 HA ASN 70 HA ASN 70 -7.741 7.578 12.551 455 1HB ASN 70 1HB ASN 70 -7.913 8.890 10.022 456 2HB ASN 70 2HB ASN 70 -8.545 10.003 11.238 457 2HD2 ASN 70 2HD2 ASN 70 -5.680 9.041 9.779 458 1HD2 ASN 70 1HD2 ASN 70 -4.592 9.503 10.998 459 H CYS 71 H CYS 71 -8.714 9.084 14.148 460 HA CYS 71 HA CYS 71 -11.696 8.862 14.163 461 1HB CYS 71 1HB CYS 71 -9.713 9.362 16.406 462 2HB CYS 71 2HB CYS 71 -11.430 9.001 16.592 463 H ALA 72 H ALA 72 -9.581 11.126 15.931 464 HA ALA 72 HA ALA 72 -10.069 13.463 14.394 465 1HB ALA 72 1HB ALA 72 -12.251 12.502 16.177 466 2HB ALA 72 3HB ALA 72 -11.925 14.234 16.204 467 3HB ALA 72 2HB ALA 72 -12.352 13.441 14.688 468 H SER 73 H SER 73 -7.911 13.782 15.255 469 HA SER 73 HA SER 73 -7.865 15.266 17.784 470 1HB SER 73 1HB SER 73 -6.359 13.720 18.916 471 2HB SER 73 2HB SER 73 -7.793 12.826 18.408 472 HG SER 73 HG SER 73 -5.416 12.129 17.888 473 H ILE 74 H ILE 74 -5.456 15.947 18.206 474 HA ILE 74 HA ILE 74 -3.890 16.032 15.664 475 HB ILE 74 HB ILE 74 -4.627 18.404 17.407 476 1HG1 ILE 74 1HG1 ILE 74 -6.535 17.465 16.091 477 2HG1 ILE 74 2HG1 ILE 74 -6.072 19.082 15.559 478 1HG2 ILE 74 1HG2 ILE 74 -2.394 18.401 16.146 479 2HG2 ILE 74 2HG2 ILE 74 -3.354 18.411 14.666 480 3HG2 ILE 74 3HG2 ILE 74 -3.483 19.748 15.809 481 1HD1 ILE 74 1HD1 ILE 74 -5.016 16.552 14.268 482 2HD1 ILE 74 2HD1 ILE 74 -6.448 17.404 13.689 483 3HD1 ILE 74 3HD1 ILE 74 -4.878 18.205 13.666 484 H VAL 75 H VAL 75 -2.473 14.528 16.865 485 HA VAL 75 HA VAL 75 -1.321 14.934 19.396 486 HB VAL 75 HB VAL 75 -1.069 12.935 17.970 487 1HG1 VAL 75 1HG1 VAL 75 -0.658 14.560 15.912 488 2HG1 VAL 75 2HG1 VAL 75 1.034 14.336 16.359 489 3HG1 VAL 75 3HG1 VAL 75 0.042 12.941 15.932 490 1HG2 VAL 75 1HG2 VAL 75 0.914 14.130 19.561 491 2HG2 VAL 75 2HG2 VAL 75 0.824 12.434 19.088 492 3HG2 VAL 75 3HG2 VAL 75 1.761 13.571 18.119 493 H LYS 76 H LYS 76 -0.263 16.749 20.124 494 HA LYS 76 HA LYS 76 1.129 18.513 18.181 495 1HB LYS 76 1HB LYS 76 0.463 18.730 21.134 496 2HB LYS 76 2HB LYS 76 1.187 20.020 20.172 497 1HG LYS 76 1HG LYS 76 -1.113 19.009 18.783 498 2HG LYS 76 2HG LYS 76 -1.575 19.387 20.441 499 1HD LYS 76 1HD LYS 76 -1.281 21.625 20.137 500 2HD LYS 76 2HD LYS 76 0.174 21.396 19.167 501 1HE LYS 76 1HE LYS 76 -1.771 22.358 17.863 502 2HE LYS 76 2HE LYS 76 -1.179 20.821 17.205 503 1HZ LYS 76 1HZ LYS 76 -3.360 21.043 19.215 504 2HZ LYS 76 2HZ LYS 76 -3.635 20.896 17.545 505 3HZ LYS 76 3HZ LYS 76 -2.865 19.641 18.392 506 H GLU 77 H GLU 77 1.899 15.928 20.247 507 HA GLU 77 HA GLU 77 4.735 16.165 19.781 508 1HB GLU 77 1HB GLU 77 3.852 17.939 21.624 509 2HB GLU 77 2HB GLU 77 4.147 16.552 22.672 510 1HG GLU 77 2HG GLU 77 6.338 17.073 22.647 511 2HG GLU 77 1HG GLU 77 6.362 16.684 20.927 512 H GLY 78 H GLY 78 5.917 14.369 20.808 513 1HA GLY 78 2HA GLY 78 4.324 12.395 22.317 514 2HA GLY 78 1HA GLY 78 6.055 12.301 22.000 515 H GLU 79 H GLU 79 3.839 10.309 21.530 516 HA GLU 79 HA GLU 79 3.521 10.085 18.639 517 1HB GLU 79 1HB GLU 79 5.976 9.611 19.150 518 2HB GLU 79 2HB GLU 79 5.428 8.174 20.013 519 1HG GLU 79 1HG GLU 79 4.528 7.204 18.038 520 2HG GLU 79 2HG GLU 79 4.606 8.732 17.160 521 H ILE 80 H ILE 80 2.285 8.139 18.081 522 HA ILE 80 HA ILE 80 1.077 6.764 20.462 523 HB ILE 80 HB ILE 80 -0.167 7.811 17.901 524 1HG1 ILE 80 1HG1 ILE 80 -0.824 8.474 20.780 525 2HG1 ILE 80 2HG1 ILE 80 0.341 9.399 19.831 526 1HG2 ILE 80 1HG2 ILE 80 -0.998 5.526 18.863 527 2HG2 ILE 80 2HG2 ILE 80 -1.691 6.515 20.150 528 3HG2 ILE 80 3HG2 ILE 80 -2.188 6.770 18.477 529 1HD1 ILE 80 1HD1 ILE 80 -1.725 9.336 18.083 530 2HD1 ILE 80 2HD1 ILE 80 -2.619 9.274 19.602 531 3HD1 ILE 80 3HD1 ILE 80 -1.521 10.616 19.279 532 H ASP 81 H ASP 81 0.536 4.541 20.138 533 HA ASP 81 HA ASP 81 1.806 3.297 17.723 534 1HB ASP 81 1HB ASP 81 1.898 2.842 20.589 535 2HB ASP 81 2HB ASP 81 1.393 1.381 19.741 536 H MET 82 H MET 82 0.523 1.990 16.437 537 HA MET 82 HA MET 82 -2.174 1.198 17.465 538 1HB MET 82 1HB MET 82 -1.479 2.577 14.849 539 2HB MET 82 2HB MET 82 -3.073 1.931 15.240 540 1HG MET 82 1HG MET 82 -3.579 3.747 16.479 541 2HG MET 82 2HG MET 82 -2.078 3.607 17.392 542 1HE MET 82 1HE MET 82 -3.762 4.451 14.228 543 2HE MET 82 2HE MET 82 -2.915 5.817 13.507 544 3HE MET 82 3HE MET 82 -2.275 4.177 13.324 545 H ASP 83 H ASP 83 -3.066 -0.663 16.303 546 HA ASP 83 HA ASP 83 -0.947 -2.446 15.237 547 1HB ASP 83 1HB ASP 83 -3.773 -2.728 16.259 548 2HB ASP 83 2HB ASP 83 -2.987 -4.060 15.409 549 H MET 84 H MET 84 -1.562 -3.805 13.283 550 HA MET 84 HA MET 84 -1.950 -2.383 10.947 551 1HB MET 84 1HB MET 84 -2.520 -4.535 9.967 552 2HB MET 84 2HB MET 84 -1.353 -4.813 11.259 553 1HG MET 84 1HG MET 84 -3.722 -4.941 12.632 554 2HG MET 84 2HG MET 84 -4.184 -5.623 11.073 555 1HE MET 84 1HE MET 84 -4.698 -6.982 13.196 556 2HE MET 84 2HE MET 84 -4.284 -8.563 12.537 557 3HE MET 84 3HE MET 84 -3.562 -8.033 14.054 558 H GLN 85 H GLN 85 -3.610 -1.071 10.316 559 HA GLN 85 HA GLN 85 -6.404 -1.996 10.627 560 1HB GLN 85 1HB GLN 85 -5.076 0.217 12.136 561 2HB GLN 85 2HB GLN 85 -6.745 0.467 11.621 562 1HG GLN 85 1HG GLN 85 -7.246 -1.828 12.642 563 2HG GLN 85 2HG GLN 85 -5.653 -1.729 13.392 564 2HE2 GLN 85 2HE2 GLN 85 -8.908 -0.338 13.396 565 1HE2 GLN 85 1HE2 GLN 85 -8.709 0.577 14.811 566 H GLN 86 H GLN 86 -4.649 1.064 9.933 567 HA GLN 86 HA GLN 86 -5.692 0.997 7.149 568 1HB GLN 86 1HB GLN 86 -6.563 2.746 9.381 569 2HB GLN 86 2HB GLN 86 -6.268 3.565 7.849 570 1HG GLN 86 1HG GLN 86 -8.090 2.628 6.871 571 2HG GLN 86 2HG GLN 86 -7.749 1.043 7.562 572 2HE2 GLN 86 2HE2 GLN 86 -9.855 0.608 8.423 573 1HE2 GLN 86 1HE2 GLN 86 -10.565 1.551 9.644 574 H ILE 87 H ILE 87 -4.435 2.300 5.724 575 HA ILE 87 HA ILE 87 -1.693 2.776 6.505 576 HB ILE 87 HB ILE 87 -3.431 3.341 4.103 577 1HG1 ILE 87 1HG1 ILE 87 -2.543 1.015 4.737 578 2HG1 ILE 87 2HG1 ILE 87 -2.202 1.568 3.099 579 1HG2 ILE 87 1HG2 ILE 87 -0.553 4.147 4.573 580 2HG2 ILE 87 2HG2 ILE 87 -1.227 3.944 2.955 581 3HG2 ILE 87 3HG2 ILE 87 -1.890 5.166 4.041 582 1HD1 ILE 87 1HD1 ILE 87 -0.263 1.991 5.384 583 2HD1 ILE 87 2HD1 ILE 87 -0.230 0.545 4.374 584 3HD1 ILE 87 3HD1 ILE 87 0.052 2.130 3.654 585 H LEU 88 H LEU 88 -0.640 4.769 6.844 586 HA LEU 88 HA LEU 88 -2.373 7.208 7.023 587 1HB LEU 88 1HB LEU 88 -1.004 5.688 9.088 588 2HB LEU 88 2HB LEU 88 -0.416 7.351 9.041 589 HG LEU 88 HG LEU 88 -3.240 7.457 8.730 590 1HD1 LEU 88 1HD1 LEU 88 -2.266 5.521 10.828 591 2HD1 LEU 88 2HD1 LEU 88 -3.762 6.429 11.054 592 3HD1 LEU 88 3HD1 LEU 88 -3.596 5.327 9.686 593 1HD2 LEU 88 1HD2 LEU 88 -1.145 8.611 10.284 594 2HD2 LEU 88 2HD2 LEU 88 -2.788 9.212 10.064 595 3HD2 LEU 88 3HD2 LEU 88 -2.420 8.116 11.396 596 H SER 89 H SER 89 -1.285 9.145 6.436 597 HA SER 89 HA SER 89 1.394 8.737 5.169 598 1HB SER 89 1HB SER 89 -1.064 9.950 4.407 599 2HB SER 89 2HB SER 89 0.125 11.244 4.553 600 HG SER 89 HG SER 89 0.119 10.254 2.477 601 H ASP 90 H ASP 90 3.142 9.709 6.118 602 HA ASP 90 HA ASP 90 3.217 10.962 8.592 603 1HB ASP 90 1HB ASP 90 5.097 10.185 7.040 604 2HB ASP 90 2HB ASP 90 4.950 11.749 6.239 605 H GLU 91 H GLU 91 2.786 12.535 5.429 606 HA GLU 91 HA GLU 91 2.796 15.239 6.229 607 1HB GLU 91 1HB GLU 91 2.684 14.262 3.906 608 2HB GLU 91 2HB GLU 91 0.981 13.906 4.192 609 1HG GLU 91 1HG GLU 91 0.602 16.336 4.657 610 2HG GLU 91 2HG GLU 91 2.284 16.646 4.226 611 H GLU 92 H GLU 92 0.440 12.738 6.801 612 HA GLU 92 HA GLU 92 -1.768 14.545 7.454 613 1HB GLU 92 1HB GLU 92 -1.779 12.091 6.607 614 2HB GLU 92 2HB GLU 92 -1.439 11.655 8.281 615 1HG GLU 92 1HG GLU 92 -3.477 12.662 9.047 616 2HG GLU 92 2HG GLU 92 -3.753 13.438 7.487 617 H VAL 93 H VAL 93 0.668 12.678 9.262 618 HA VAL 93 HA VAL 93 -0.368 13.503 11.872 619 HB VAL 93 HB VAL 93 0.906 11.359 11.132 620 1HG1 VAL 93 1HG1 VAL 93 2.840 13.222 10.438 621 2HG1 VAL 93 2HG1 VAL 93 3.429 12.590 11.974 622 3HG1 VAL 93 3HG1 VAL 93 3.112 11.490 10.632 623 1HG2 VAL 93 1HG2 VAL 93 0.832 12.849 13.600 624 2HG2 VAL 93 2HG2 VAL 93 0.816 11.101 13.364 625 3HG2 VAL 93 3HG2 VAL 93 2.352 11.960 13.489 626 H GLU 94 H GLU 94 1.528 15.017 9.492 627 HA GLU 94 HA GLU 94 3.021 16.671 11.479 628 1HB GLU 94 1HB GLU 94 3.501 15.587 8.868 629 2HB GLU 94 2HB GLU 94 3.577 17.345 8.757 630 1HG GLU 94 1HG GLU 94 5.768 16.193 9.358 631 2HG GLU 94 2HG GLU 94 5.257 17.466 10.465 632 H GLU 95 H GLU 95 1.007 17.098 8.539 633 HA GLU 95 HA GLU 95 0.567 19.939 9.138 634 1HB GLU 95 1HB GLU 95 0.809 18.844 6.854 635 2HB GLU 95 2HB GLU 95 -0.786 18.138 7.111 636 1HG GLU 95 1HG GLU 95 -1.270 20.754 7.732 637 2HG GLU 95 2HG GLU 95 -0.035 20.929 6.485 638 H LYS 96 H LYS 96 -1.123 16.885 9.580 639 HA LYS 96 HA LYS 96 -3.459 18.378 10.728 640 1HB LYS 96 1HB LYS 96 -3.298 16.475 8.700 641 2HB LYS 96 2HB LYS 96 -3.822 15.542 10.102 642 1HG LYS 96 1HG LYS 96 -5.718 16.975 10.448 643 2HG LYS 96 2HG LYS 96 -5.118 18.153 9.282 644 1HD LYS 96 1HD LYS 96 -5.266 15.602 7.989 645 2HD LYS 96 2HD LYS 96 -6.805 15.905 8.794 646 1HE LYS 96 1HE LYS 96 -7.196 17.884 7.565 647 2HE LYS 96 2HE LYS 96 -5.485 18.059 7.135 648 1HZ LYS 96 1HZ LYS 96 -5.971 15.638 6.175 649 2HZ LYS 96 2HZ LYS 96 -7.523 16.304 5.996 650 3HZ LYS 96 3HZ LYS 96 -6.190 17.042 5.246 651 H ASP 97 H ASP 97 -0.823 16.298 11.423 652 HA ASP 97 HA ASP 97 -0.301 14.959 13.321 653 1HB ASP 97 2HB ASP 97 -1.891 17.048 14.805 654 2HB ASP 97 1HB ASP 97 -0.350 16.315 15.246 655 H VAL 98 H VAL 98 -2.940 14.351 12.008 656 HA VAL 98 HA VAL 98 -4.729 13.718 14.264 657 HB VAL 98 HB VAL 98 -5.391 14.532 11.937 658 1HG1 VAL 98 1HG1 VAL 98 -3.723 12.773 10.928 659 2HG1 VAL 98 2HG1 VAL 98 -5.085 11.663 11.093 660 3HG1 VAL 98 3HG1 VAL 98 -5.239 13.106 10.090 661 1HG2 VAL 98 1HG2 VAL 98 -6.935 13.399 13.583 662 2HG2 VAL 98 2HG2 VAL 98 -7.397 13.189 11.893 663 3HG2 VAL 98 3HG2 VAL 98 -6.597 11.877 12.758 664 H ARG 99 H ARG 99 -5.487 11.443 14.574 665 HA ARG 99 HA ARG 99 -3.994 9.219 13.446 666 1HB ARG 99 1HB ARG 99 -2.608 10.656 15.286 667 2HB ARG 99 2HB ARG 99 -3.428 9.510 16.347 668 1HG ARG 99 1HG ARG 99 -1.539 8.278 15.806 669 2HG ARG 99 2HG ARG 99 -2.623 7.762 14.513 670 1HD ARG 99 1HD ARG 99 -1.479 8.966 12.897 671 2HD ARG 99 2HD ARG 99 -0.978 10.223 14.044 672 HE ARG 99 HE ARG 99 0.265 7.511 13.821 673 1HH1 ARG 99 1HH1 ARG 99 -0.053 10.292 15.749 674 2HH1 ARG 99 2HH1 ARG 99 1.640 10.450 16.076 675 1HH2 ARG 99 1HH2 ARG 99 2.562 7.892 13.926 676 2HH2 ARG 99 2HH2 ARG 99 3.121 9.093 15.043 677 H LEU 100 H LEU 100 -4.569 7.144 14.651 678 HA LEU 100 HA LEU 100 -7.418 7.176 15.353 679 1HB LEU 100 1HB LEU 100 -5.751 5.459 14.077 680 2HB LEU 100 2HB LEU 100 -5.726 4.753 15.693 681 HG LEU 100 HG LEU 100 -8.410 5.531 14.747 682 1HD1 LEU 100 1HD1 LEU 100 -6.647 3.702 13.187 683 2HD1 LEU 100 2HD1 LEU 100 -8.306 3.171 13.463 684 3HD1 LEU 100 3HD1 LEU 100 -7.996 4.699 12.641 685 1HD2 LEU 100 1HD2 LEU 100 -7.098 3.173 16.098 686 2HD2 LEU 100 2HD2 LEU 100 -8.293 4.289 16.758 687 3HD2 LEU 100 3HD2 LEU 100 -8.773 3.098 15.550 688 H THR 101 H THR 101 -8.120 7.460 17.435 689 HA THR 101 HA THR 101 -6.227 6.794 19.669 690 HB THR 101 HB THR 101 -7.548 8.585 20.874 691 HG1 THR 101 HG1 THR 101 -9.248 8.250 19.069 692 1HG2 THR 101 1HG2 THR 101 -6.070 9.215 18.315 693 2HG2 THR 101 2HG2 THR 101 -6.593 10.471 19.437 694 3HG2 THR 101 3HG2 THR 101 -5.444 9.240 19.964 695 H CYS 102 H CYS 102 -8.741 5.455 18.148 696 HA CYS 102 HA CYS 102 -10.672 4.994 20.257 697 1HB CYS 102 1HB CYS 102 -10.041 4.052 17.511 698 2HB CYS 102 2HB CYS 102 -10.985 2.940 18.501 699 H ILE 103 H ILE 103 -8.651 2.514 18.667 700 HA ILE 103 HA ILE 103 -8.344 1.177 21.333 701 HB ILE 103 HB ILE 103 -9.599 0.068 19.432 702 1HG1 ILE 103 1HG1 ILE 103 -7.045 -1.256 20.395 703 2HG1 ILE 103 2HG1 ILE 103 -8.605 -1.281 21.216 704 1HG2 ILE 103 1HG2 ILE 103 -7.225 0.881 18.035 705 2HG2 ILE 103 2HG2 ILE 103 -7.349 -0.877 17.969 706 3HG2 ILE 103 3HG2 ILE 103 -8.676 0.124 17.380 707 1HD1 ILE 103 1HD1 ILE 103 -8.472 -2.223 18.375 708 2HD1 ILE 103 2HD1 ILE 103 -7.869 -3.291 19.644 709 3HD1 ILE 103 3HD1 ILE 103 -9.545 -2.740 19.676 710 H GLY 104 H GLY 104 -6.619 3.316 19.787 711 1HA GLY 104 2HA GLY 104 -4.332 3.527 19.112 712 2HA GLY 104 1HA GLY 104 -4.093 1.818 19.471 713 H SER 105 H SER 105 -2.134 2.569 20.637 714 HA SER 105 HA SER 105 -2.785 3.715 23.334 715 1HB SER 105 1HB SER 105 -1.025 2.105 24.153 716 2HB SER 105 2HB SER 105 -2.442 1.309 23.467 717 HG SER 105 HG SER 105 -1.325 0.864 21.642 718 HA PRO 106 HA PRO 106 0.482 6.539 22.516 719 1HB PRO 106 1HB PRO 106 1.289 7.096 25.071 720 2HB PRO 106 2HB PRO 106 -0.227 7.704 24.382 721 1HG PRO 106 1HG PRO 106 0.237 5.420 26.234 722 2HG PRO 106 2HG PRO 106 -1.085 6.595 26.201 723 1HD PRO 106 1HD PRO 106 -1.279 4.039 25.231 724 2HD PRO 106 2HD PRO 106 -2.274 5.393 24.660 725 H ALA 107 H ALA 107 2.826 6.672 22.527 726 HA ALA 107 HA ALA 107 4.190 4.180 23.498 727 1HB ALA 107 1HB ALA 107 3.798 5.114 20.906 728 2HB ALA 107 3HB ALA 107 5.445 5.619 21.279 729 3HB ALA 107 2HB ALA 107 4.997 3.917 21.394 730 H ALA 108 H ALA 108 4.511 7.661 22.888 731 HA ALA 108 HA ALA 108 7.139 7.800 24.207 732 1HB ALA 108 1HB ALA 108 7.215 9.818 23.144 733 2HB ALA 108 3HB ALA 108 5.598 10.264 23.690 734 3HB ALA 108 2HB ALA 108 5.797 9.227 22.278 735 H ASP 109 H ASP 109 7.499 8.635 26.290 736 HA ASP 109 HA ASP 109 5.723 8.265 28.385 737 1HB ASP 109 1HB ASP 109 8.169 9.760 27.835 738 2HB ASP 109 2HB ASP 109 7.191 10.546 29.074 739 H GLU 110 H GLU 110 6.476 11.648 27.710 740 HA GLU 110 HA GLU 110 3.688 12.406 28.297 741 1HB GLU 110 1HB GLU 110 5.600 13.626 29.240 742 2HB GLU 110 2HB GLU 110 6.204 13.967 27.618 743 1HG GLU 110 1HG GLU 110 4.105 15.210 27.128 744 2HG GLU 110 2HG GLU 110 3.570 14.921 28.783 745 H VAL 111 H VAL 111 2.251 12.280 26.603 746 HA VAL 111 HA VAL 111 3.226 13.036 23.870 747 HB VAL 111 HB VAL 111 0.807 11.386 24.651 748 1HG1 VAL 111 1HG1 VAL 111 2.338 11.886 22.094 749 2HG1 VAL 111 2HG1 VAL 111 1.258 10.505 22.281 750 3HG1 VAL 111 3HG1 VAL 111 0.621 12.146 22.403 751 1HG2 VAL 111 1HG2 VAL 111 3.692 10.703 24.514 752 2HG2 VAL 111 2HG2 VAL 111 2.393 9.926 25.421 753 3HG2 VAL 111 3HG2 VAL 111 2.599 9.580 23.704 754 H LYS 112 H LYS 112 2.337 14.875 22.999 755 HA LYS 112 HA LYS 112 0.006 16.103 24.408 756 1HB LYS 112 1HB LYS 112 2.010 17.272 22.448 757 2HB LYS 112 2HB LYS 112 0.846 18.178 23.415 758 1HG LYS 112 1HG LYS 112 1.953 17.141 25.472 759 2HG LYS 112 2HG LYS 112 3.235 16.599 24.390 760 1HD LYS 112 1HD LYS 112 4.171 18.646 24.411 761 2HD LYS 112 2HD LYS 112 2.657 19.375 23.876 762 1HE LYS 112 1HE LYS 112 2.033 19.959 26.019 763 2HE LYS 112 2HE LYS 112 2.807 18.534 26.740 764 1HZ LYS 112 1HZ LYS 112 4.246 20.841 25.526 765 2HZ LYS 112 2HZ LYS 112 4.054 20.589 27.195 766 3HZ LYS 112 3HZ LYS 112 4.964 19.495 26.270 767 H ILE 113 H ILE 113 -1.905 16.411 23.303 768 HA ILE 113 HA ILE 113 -2.039 16.333 20.371 769 HB ILE 113 HB ILE 113 -1.906 13.966 20.903 770 1HG1 ILE 113 1HG1 ILE 113 -4.864 14.362 20.599 771 2HG1 ILE 113 2HG1 ILE 113 -3.789 14.976 19.343 772 1HG2 ILE 113 1HG2 ILE 113 -4.061 14.637 22.922 773 2HG2 ILE 113 2HG2 ILE 113 -3.674 12.985 22.440 774 3HG2 ILE 113 3HG2 ILE 113 -2.457 13.979 23.242 775 1HD1 ILE 113 1HD1 ILE 113 -3.002 12.301 20.136 776 2HD1 ILE 113 2HD1 ILE 113 -4.696 12.328 19.642 777 3HD1 ILE 113 3HD1 ILE 113 -3.446 12.900 18.538 778 H VAL 114 H VAL 114 -4.067 17.150 19.616 779 HA VAL 114 HA VAL 114 -5.626 18.601 21.664 780 HB VAL 114 HB VAL 114 -4.757 19.173 19.138 781 1HG1 VAL 114 1HG1 VAL 114 -6.357 17.578 18.111 782 2HG1 VAL 114 2HG1 VAL 114 -7.692 18.450 18.863 783 3HG1 VAL 114 3HG1 VAL 114 -6.700 19.240 17.636 784 1HG2 VAL 114 1HG2 VAL 114 -5.864 20.580 21.057 785 2HG2 VAL 114 2HG2 VAL 114 -5.904 21.186 19.401 786 3HG2 VAL 114 3HG2 VAL 114 -7.327 20.401 20.088 787 H TYR 115 H TYR 115 -7.559 17.854 22.453 788 HA TYR 115 HA TYR 115 -8.679 15.362 21.299 789 1HB TYR 115 1HB TYR 115 -9.013 14.955 23.501 790 2HB TYR 115 2HB TYR 115 -8.319 16.526 23.874 791 HD1 TYR 115 HD1 TYR 115 -11.446 14.637 23.375 792 HD2 TYR 115 HD2 TYR 115 -9.728 18.458 24.321 793 HE1 TYR 115 HE1 TYR 115 -13.659 15.438 24.160 794 HE2 TYR 115 HE2 TYR 115 -11.938 19.259 25.103 795 HH TYR 115 HH TYR 115 -14.344 17.454 25.979 796 H ASN 116 H ASN 116 -10.852 15.247 20.536 797 HA ASN 116 HA ASN 116 -12.910 16.062 19.681 798 1HB ASN 116 1HB ASN 116 -12.213 17.740 21.846 799 2HB ASN 116 2HB ASN 116 -12.665 18.818 20.530 800 2HD2 ASN 116 2HD2 ASN 116 -14.614 19.230 22.047 801 1HD2 ASN 116 1HD2 ASN 116 -15.937 18.175 21.919 802 H ALA 117 H ALA 117 -10.879 15.919 17.906 803 HA ALA 117 HA ALA 117 -10.091 18.402 16.671 804 1HB ALA 117 1HB ALA 117 -9.051 16.082 16.499 805 2HB ALA 117 3HB ALA 117 -9.225 16.940 14.968 806 3HB ALA 117 2HB ALA 117 -10.366 15.666 15.400 807 H LYS 118 H LYS 118 -13.062 16.671 16.660 808 HA LYS 118 HA LYS 118 -14.110 17.108 14.082 809 1HB LYS 118 2HB LYS 118 -16.248 16.876 15.192 810 2HB LYS 118 1HB LYS 118 -15.093 15.863 16.058 811 1HG LYS 118 1HG LYS 118 -14.852 17.481 17.811 812 2HG LYS 118 2HG LYS 118 -15.711 18.710 16.882 813 1HD LYS 118 1HD LYS 118 -17.230 16.216 17.290 814 2HD LYS 118 2HD LYS 118 -16.879 17.105 18.773 815 1HE LYS 118 1HE LYS 118 -17.765 19.188 17.621 816 2HE LYS 118 2HE LYS 118 -18.316 18.135 16.304 817 H HIS 119 H HIS 119 -13.280 19.433 16.508 818 HA HIS 119 HA HIS 119 -15.097 21.539 15.651 819 1HB HIS 119 1HB HIS 119 -12.570 21.400 17.315 820 2HB HIS 119 2HB HIS 119 -13.494 22.887 17.102 821 HD1 HIS 119 HD1 HIS 119 -16.329 22.099 17.409 822 HD2 HIS 119 HD2 HIS 119 -13.353 20.342 19.741 823 HE1 HIS 119 HE1 HIS 119 -17.484 21.163 19.459 824 H LEU 120 H LEU 120 -11.998 20.365 14.556 825 HA LEU 120 HA LEU 120 -10.768 22.597 13.419 826 1HB LEU 120 1HB LEU 120 -10.515 19.855 13.346 827 2HB LEU 120 2HB LEU 120 -10.914 20.228 11.670 828 HG LEU 120 HG LEU 120 -9.044 22.186 12.534 829 1HD1 LEU 120 1HD1 LEU 120 -8.713 19.948 14.120 830 2HD1 LEU 120 2HD1 LEU 120 -7.584 19.653 12.797 831 3HD1 LEU 120 3HD1 LEU 120 -7.454 21.128 13.754 832 1HD2 LEU 120 1HD2 LEU 120 -9.518 20.453 10.368 833 2HD2 LEU 120 2HD2 LEU 120 -8.298 21.723 10.458 834 3HD2 LEU 120 3HD2 LEU 120 -7.889 20.071 10.924 835 H ASP 121 H ASP 121 -11.534 24.116 12.008 836 HA ASP 121 HA ASP 121 -14.075 23.869 10.662 837 1HB ASP 121 1HB ASP 121 -13.450 26.057 9.763 838 2HB ASP 121 2HB ASP 121 -12.973 25.971 11.459 839 H TYR 122 H TYR 122 -10.752 23.184 9.722 840 HA TYR 122 HA TYR 122 -11.100 23.174 6.877 841 1HB TYR 122 1HB TYR 122 -8.954 23.165 8.181 842 2HB TYR 122 2HB TYR 122 -9.272 21.484 8.613 843 HD1 TYR 122 HD1 TYR 122 -9.491 19.758 6.771 844 HD2 TYR 122 HD2 TYR 122 -8.056 23.743 6.054 845 HE1 TYR 122 HE1 TYR 122 -8.518 19.019 4.614 846 HE2 TYR 122 HE2 TYR 122 -7.084 23.004 3.897 847 HH TYR 122 HH TYR 122 -6.442 21.112 2.723 848 H LEU 123 H LEU 123 -12.363 21.108 9.290 849 HA LEU 123 HA LEU 123 -12.820 18.921 7.288 850 1HB LEU 123 1HB LEU 123 -11.738 18.920 9.857 851 2HB LEU 123 2HB LEU 123 -13.390 18.355 10.101 852 HG LEU 123 HG LEU 123 -12.629 16.976 7.837 853 1HD1 LEU 123 1HD1 LEU 123 -10.243 17.949 8.980 854 2HD1 LEU 123 2HD1 LEU 123 -10.337 16.253 9.453 855 3HD1 LEU 123 3HD1 LEU 123 -10.393 16.697 7.748 856 1HD2 LEU 123 1HD2 LEU 123 -12.342 16.134 10.738 857 2HD2 LEU 123 2HD2 LEU 123 -13.826 16.067 9.789 858 3HD2 LEU 123 3HD2 LEU 123 -12.461 15.035 9.364 859 H GLN 124 H GLN 124 -14.359 20.868 9.849 860 HA GLN 124 HA GLN 124 -16.999 19.787 9.591 861 1HB GLN 124 1HB GLN 124 -15.857 21.324 11.364 862 2HB GLN 124 2HB GLN 124 -16.348 22.645 10.303 863 1HG GLN 124 1HG GLN 124 -18.526 22.457 10.903 864 2HG GLN 124 2HG GLN 124 -18.490 20.698 10.789 865 2HE2 GLN 124 2HE2 GLN 124 -18.963 19.787 12.790 866 1HE2 GLN 124 1HE2 GLN 124 -18.448 20.395 14.288 867 H ASN 125 H ASN 125 -15.167 21.754 7.471 868 HA ASN 125 HA ASN 125 -17.086 23.465 6.294 869 1HB ASN 125 1HB ASN 125 -14.639 23.425 5.873 870 2HB ASN 125 2HB ASN 125 -14.825 21.901 5.004 871 2HD2 ASN 125 2HD2 ASN 125 -14.564 25.187 4.480 872 1HD2 ASN 125 1HD2 ASN 125 -15.374 25.294 2.992 873 H ARG 126 H ARG 126 -16.698 19.990 6.027 874 HA ARG 126 HA ARG 126 -18.654 19.872 3.777 875 1HB ARG 126 1HB ARG 126 -16.309 18.589 4.220 876 2HB ARG 126 2HB ARG 126 -17.420 17.438 4.962 877 1HG ARG 126 1HG ARG 126 -18.623 17.128 2.942 878 2HG ARG 126 2HG ARG 126 -17.930 18.577 2.212 879 1HD ARG 126 2HD ARG 126 -16.567 16.998 1.202 880 2HD ARG 126 1HD ARG 126 -15.651 17.196 2.707 881 HE ARG 126 HE ARG 126 -17.681 15.310 3.246 882 1HH1 ARG 126 1HH1 ARG 126 -16.113 15.225 0.340 883 2HH1 ARG 126 2HH1 ARG 126 -15.264 13.739 0.611 884 1HH2 ARG 126 1HH2 ARG 126 -16.089 13.574 3.976 885 2HH2 ARG 126 2HH2 ARG 126 -15.249 12.805 2.671 886 H VAL 127 H VAL 127 -19.472 20.602 6.545 887 HA VAL 127 HA VAL 127 -20.566 18.580 8.114 888 HB VAL 127 HB VAL 127 -20.628 21.049 8.504 889 1HG1 VAL 127 1HG1 VAL 127 -22.465 20.855 6.162 890 2HG1 VAL 127 2HG1 VAL 127 -22.888 22.014 7.421 891 3HG1 VAL 127 3HG1 VAL 127 -21.333 22.135 6.600 892 1HG2 VAL 127 1HG2 VAL 127 -22.742 19.131 9.015 893 2HG2 VAL 127 2HG2 VAL 127 -22.113 20.398 10.069 894 3HG2 VAL 127 3HG2 VAL 127 -23.396 20.766 8.916 895 H ILE 128 H ILE 128 -22.632 17.495 8.111 896 HA ILE 128 HA ILE 128 -24.123 17.538 5.514 897 HB ILE 128 HB ILE 128 -24.144 15.030 5.680 898 1HG1 ILE 128 1HG1 ILE 128 -21.859 15.107 7.576 899 2HG1 ILE 128 2HG1 ILE 128 -23.452 15.403 8.273 900 1HG2 ILE 128 1HG2 ILE 128 -21.445 16.413 5.597 901 2HG2 ILE 128 2HG2 ILE 128 -21.723 14.754 5.066 902 3HG2 ILE 128 3HG2 ILE 128 -22.509 16.091 4.227 903 1HD1 ILE 128 1HD1 ILE 128 -24.176 13.306 6.898 904 2HD1 ILE 128 2HD1 ILE 128 -22.448 12.958 6.826 905 3HD1 ILE 128 3HD1 ILE 128 -23.263 13.062 8.387 No H/Q in entry = 905 Start of MODEL 13 1 H2 PRO 1 H2 PRO 1 3.449 7.990 31.728 2 H3 PRO 1 H3 PRO 1 4.687 7.246 30.826 3 HA PRO 1 HA PRO 1 3.322 7.187 29.088 4 1HB PRO 1 1HB PRO 1 1.256 5.533 29.779 5 2HB PRO 1 2HB PRO 1 2.902 4.947 29.472 6 1HG PRO 1 2HG PRO 1 1.527 5.482 32.063 7 2HG PRO 1 1HG PRO 1 2.610 4.155 31.616 8 1HD PRO 1 1HD PRO 1 3.405 6.308 33.081 9 2HD PRO 1 2HD PRO 1 4.498 5.396 32.021 10 H THR 2 H THR 2 2.826 9.579 29.911 11 HA THR 2 HA THR 2 -0.136 9.812 30.354 12 HB THR 2 HB THR 2 1.826 11.968 31.059 13 HG1 THR 2 HG1 THR 2 2.396 10.935 32.899 14 1HG2 THR 2 1HG2 THR 2 -0.908 11.092 31.785 15 2HG2 THR 2 2HG2 THR 2 0.065 11.729 33.111 16 3HG2 THR 2 3HG2 THR 2 -0.237 12.719 31.683 17 H VAL 3 H VAL 3 -1.245 11.144 28.917 18 HA VAL 3 HA VAL 3 0.391 12.604 26.865 19 HB VAL 3 HB VAL 3 -0.708 10.437 26.159 20 1HG1 VAL 3 1HG1 VAL 3 -2.748 10.937 27.660 21 2HG1 VAL 3 2HG1 VAL 3 -3.298 11.971 26.341 22 3HG1 VAL 3 3HG1 VAL 3 -3.062 10.243 26.069 23 1HG2 VAL 3 1HG2 VAL 3 -0.381 12.733 24.773 24 2HG2 VAL 3 2HG2 VAL 3 -1.067 11.275 24.057 25 3HG2 VAL 3 3HG2 VAL 3 -2.130 12.556 24.637 26 H GLU 4 H GLU 4 -0.075 14.774 26.848 27 HA GLU 4 HA GLU 4 -2.317 15.814 28.431 28 1HB GLU 4 1HB GLU 4 0.170 16.656 27.992 29 2HB GLU 4 2HB GLU 4 -0.601 17.486 26.639 30 1HG GLU 4 1HG GLU 4 -1.521 19.016 28.015 31 2HG GLU 4 2HG GLU 4 -2.187 17.757 29.056 32 H TYR 5 H TYR 5 -4.335 15.841 27.516 33 HA TYR 5 HA TYR 5 -4.632 16.154 24.576 34 1HB TYR 5 1HB TYR 5 -6.982 15.583 25.103 35 2HB TYR 5 2HB TYR 5 -5.877 14.424 25.843 36 HD1 TYR 5 HD1 TYR 5 -8.006 17.394 26.489 37 HD2 TYR 5 HD2 TYR 5 -5.679 14.231 28.224 38 HE1 TYR 5 HE1 TYR 5 -8.938 17.935 28.723 39 HE2 TYR 5 HE2 TYR 5 -6.609 14.771 30.459 40 HH TYR 5 HH TYR 5 -8.790 17.541 30.918 41 H LEU 6 H LEU 6 -5.472 18.048 23.652 42 HA LEU 6 HA LEU 6 -6.296 20.230 25.542 43 1HB LEU 6 1HB LEU 6 -4.093 20.776 24.912 44 2HB LEU 6 2HB LEU 6 -4.309 20.153 23.279 45 HG LEU 6 HG LEU 6 -5.471 22.053 22.568 46 1HD1 LEU 6 1HD1 LEU 6 -6.328 22.160 25.392 47 2HD1 LEU 6 2HD1 LEU 6 -6.068 23.737 24.645 48 3HD1 LEU 6 3HD1 LEU 6 -7.212 22.601 23.931 49 1HD2 LEU 6 1HD2 LEU 6 -3.028 22.394 23.741 50 2HD2 LEU 6 2HD2 LEU 6 -3.870 23.637 22.815 51 3HD2 LEU 6 3HD2 LEU 6 -3.986 23.618 24.574 52 H ASN 7 H ASN 7 -8.381 20.766 25.074 53 HA ASN 7 HA ASN 7 -9.949 19.953 22.911 54 1HB ASN 7 1HB ASN 7 -10.569 21.123 25.091 55 2HB ASN 7 2HB ASN 7 -10.133 22.638 24.301 56 2HD2 ASN 7 2HD2 ASN 7 -12.317 23.469 24.199 57 1HD2 ASN 7 1HD2 ASN 7 -13.510 22.761 23.220 58 H TYR 8 H TYR 8 -9.534 20.286 20.759 59 HA TYR 8 HA TYR 8 -7.822 22.319 19.703 60 1HB TYR 8 1HB TYR 8 -8.290 20.303 18.476 61 2HB TYR 8 2HB TYR 8 -10.028 20.591 18.549 62 HD1 TYR 8 HD1 TYR 8 -11.067 22.388 17.202 63 HD2 TYR 8 HD2 TYR 8 -6.883 21.471 16.890 64 HE1 TYR 8 HE1 TYR 8 -10.943 23.677 15.086 65 HE2 TYR 8 HE2 TYR 8 -6.758 22.759 14.775 66 HH TYR 8 HH TYR 8 -9.539 24.592 13.573 67 H GLU 9 H GLU 9 -11.251 22.274 20.483 68 HA GLU 9 HA GLU 9 -12.106 24.539 18.961 69 1HB GLU 9 1HB GLU 9 -12.993 22.886 21.240 70 2HB GLU 9 2HB GLU 9 -13.633 24.529 21.250 71 1HG GLU 9 1HG GLU 9 -13.679 23.106 18.638 72 2HG GLU 9 2HG GLU 9 -14.799 22.524 19.870 73 H THR 10 H THR 10 -10.572 24.245 22.151 74 HA THR 10 HA THR 10 -10.883 26.940 23.028 75 HB THR 10 HB THR 10 -8.583 25.008 23.484 76 HG1 THR 10 HG1 THR 10 -10.756 25.275 25.212 77 1HG2 THR 10 1HG2 THR 10 -9.427 27.582 24.666 78 2HG2 THR 10 2HG2 THR 10 -9.021 26.321 25.830 79 3HG2 THR 10 3HG2 THR 10 -7.834 26.829 24.629 80 H LEU 11 H LEU 11 -8.676 25.449 20.733 81 HA LEU 11 HA LEU 11 -6.722 27.556 20.599 82 1HB LEU 11 1HB LEU 11 -6.762 25.098 19.714 83 2HB LEU 11 2HB LEU 11 -7.560 25.787 18.301 84 HG LEU 11 HG LEU 11 -4.798 26.404 19.365 85 1HD1 LEU 11 1HD1 LEU 11 -5.986 25.199 16.890 86 2HD1 LEU 11 2HD1 LEU 11 -4.441 26.044 16.773 87 3HD1 LEU 11 3HD1 LEU 11 -4.608 24.653 17.844 88 1HD2 LEU 11 1HD2 LEU 11 -6.490 27.961 17.394 89 2HD2 LEU 11 2HD2 LEU 11 -5.759 28.559 18.885 90 3HD2 LEU 11 3HD2 LEU 11 -4.738 28.132 17.512 91 H ASP 12 H ASP 12 -9.612 26.834 18.614 92 HA ASP 12 HA ASP 12 -9.363 29.266 17.027 93 1HB ASP 12 1HB ASP 12 -11.327 27.020 17.399 94 2HB ASP 12 2HB ASP 12 -11.809 28.443 16.476 95 H ASP 13 H ASP 13 -11.469 28.196 19.711 96 HA ASP 13 HA ASP 13 -13.161 30.446 19.902 97 1HB ASP 13 1HB ASP 13 -13.479 28.396 21.166 98 2HB ASP 13 2HB ASP 13 -11.943 28.626 22.003 99 H GLN 14 H GLN 14 -10.255 29.885 21.938 100 HA GLN 14 HA GLN 14 -10.111 32.588 22.892 101 1HB GLN 14 1HB GLN 14 -9.024 30.223 23.568 102 2HB GLN 14 2HB GLN 14 -7.668 30.890 22.658 103 1HG GLN 14 1HG GLN 14 -7.340 31.592 24.921 104 2HG GLN 14 2HG GLN 14 -7.947 33.007 24.062 105 2HE2 GLN 14 2HE2 GLN 14 -8.236 32.204 26.993 106 1HE2 GLN 14 1HE2 GLN 14 -9.909 32.231 27.281 107 H GLY 15 H GLY 15 -9.372 31.260 19.841 108 1HA GLY 15 2HA GLY 15 -8.430 33.775 18.804 109 2HA GLY 15 1HA GLY 15 -8.426 32.244 17.929 110 H TRP 16 H TRP 16 -6.813 30.881 19.995 111 HA TRP 16 HA TRP 16 -4.271 32.344 20.160 112 1HB TRP 16 1HB TRP 16 -5.551 29.909 21.202 113 2HB TRP 16 2HB TRP 16 -3.828 29.714 20.882 114 HD1 TRP 16 HD1 TRP 16 -3.360 29.644 23.523 115 HE1 TRP 16 HE1 TRP 16 -3.148 31.540 25.256 116 HE3 TRP 16 HE3 TRP 16 -5.525 33.473 20.920 117 HZ2 TRP 16 HZ2 TRP 16 -3.806 34.309 25.506 118 HZ3 TRP 16 HZ3 TRP 16 -5.715 35.725 21.930 119 HH2 TRP 16 HH2 TRP 16 -4.860 36.149 24.217 120 H ASP 17 H ASP 17 -2.252 30.924 19.474 121 HA ASP 17 HA ASP 17 -2.530 30.418 16.581 122 1HB ASP 17 1HB ASP 17 -0.585 31.403 18.360 123 2HB ASP 17 2HB ASP 17 0.063 29.871 17.776 124 H MET 18 H MET 18 -0.961 28.423 15.902 125 HA MET 18 HA MET 18 -2.300 26.025 16.887 126 1HB MET 18 1HB MET 18 -0.562 26.898 14.706 127 2HB MET 18 2HB MET 18 -0.127 25.294 15.295 128 1HG MET 18 1HG MET 18 -2.943 25.323 15.196 129 2HG MET 18 2HG MET 18 -2.411 26.093 13.701 130 1HE MET 18 1HE MET 18 -2.229 23.506 16.141 131 2HE MET 18 2HE MET 18 -2.451 22.023 15.217 132 3HE MET 18 3HE MET 18 -0.826 22.548 15.678 133 H ASP 19 H ASP 19 1.128 27.101 16.875 134 HA ASP 19 HA ASP 19 1.548 25.392 19.308 135 1HB ASP 19 1HB ASP 19 2.962 25.607 16.692 136 2HB ASP 19 2HB ASP 19 3.965 25.364 18.121 137 H ASP 20 H ASP 20 1.684 28.506 17.980 138 HA ASP 20 HA ASP 20 4.027 29.508 19.389 139 1HB ASP 20 1HB ASP 20 2.359 30.319 17.343 140 2HB ASP 20 2HB ASP 20 1.893 31.397 18.658 141 H ASP 21 H ASP 21 0.496 29.697 19.956 142 HA ASP 21 HA ASP 21 0.724 31.196 22.420 143 1HB ASP 21 1HB ASP 21 -1.305 29.881 20.747 144 2HB ASP 21 2HB ASP 21 -1.693 29.857 22.468 145 H ASP 22 H ASP 22 1.442 27.963 21.672 146 HA ASP 22 HA ASP 22 1.690 26.018 23.014 147 1HB ASP 22 1HB ASP 22 2.790 28.434 24.279 148 2HB ASP 22 2HB ASP 22 2.494 27.125 25.423 149 H LEU 23 H LEU 23 -0.981 26.542 22.904 150 HA LEU 23 HA LEU 23 -2.437 27.213 25.193 151 1HB LEU 23 1HB LEU 23 -2.801 25.128 23.033 152 2HB LEU 23 2HB LEU 23 -4.053 25.447 24.235 153 HG LEU 23 HG LEU 23 -2.965 27.891 23.034 154 1HD1 LEU 23 1HD1 LEU 23 -2.819 26.302 21.098 155 2HD1 LEU 23 2HD1 LEU 23 -4.546 25.997 21.275 156 3HD1 LEU 23 3HD1 LEU 23 -3.976 27.609 20.845 157 1HD2 LEU 23 1HD2 LEU 23 -5.653 26.667 23.622 158 2HD2 LEU 23 2HD2 LEU 23 -4.934 28.133 24.291 159 3HD2 LEU 23 3HD2 LEU 23 -5.534 28.123 22.633 160 H PHE 24 H PHE 24 -1.129 23.976 24.372 161 HA PHE 24 HA PHE 24 -1.972 22.433 26.509 162 1HB PHE 24 1HB PHE 24 0.622 22.682 24.997 163 2HB PHE 24 2HB PHE 24 0.480 21.499 26.296 164 HD1 PHE 24 HD1 PHE 24 -1.730 20.023 26.219 165 HD2 PHE 24 HD2 PHE 24 -0.015 22.059 22.849 166 HE1 PHE 24 HE1 PHE 24 -2.917 18.479 24.683 167 HE2 PHE 24 HE2 PHE 24 -1.203 20.519 21.313 168 HZ PHE 24 HZ PHE 24 -2.651 18.726 22.230 169 H GLU 25 H GLU 25 0.312 25.081 26.531 170 HA GLU 25 HA GLU 25 1.067 24.547 29.366 171 1HB GLU 25 1HB GLU 25 2.385 25.474 27.092 172 2HB GLU 25 2HB GLU 25 2.147 26.929 28.059 173 1HG GLU 25 1HG GLU 25 3.328 24.345 29.124 174 2HG GLU 25 2HG GLU 25 4.283 25.729 28.591 175 H LYS 26 H LYS 26 -0.169 27.268 27.381 176 HA LYS 26 HA LYS 26 -0.754 29.007 29.571 177 1HB LYS 26 1HB LYS 26 -0.691 29.175 26.878 178 2HB LYS 26 2HB LYS 26 -2.435 29.058 27.117 179 1HG LYS 26 1HG LYS 26 -2.301 31.309 27.441 180 2HG LYS 26 2HG LYS 26 -1.764 30.859 29.059 181 1HD LYS 26 1HD LYS 26 0.214 31.856 28.649 182 2HD LYS 26 2HD LYS 26 0.505 30.697 27.351 183 1HE LYS 26 1HE LYS 26 -1.382 32.842 26.614 184 2HE LYS 26 2HE LYS 26 0.259 33.412 26.969 185 1HZ LYS 26 1HZ LYS 26 0.137 30.932 25.484 186 2HZ LYS 26 2HZ LYS 26 -0.491 32.266 24.641 187 3HZ LYS 26 3HZ LYS 26 1.104 32.303 25.222 188 H ALA 27 H ALA 27 -2.696 26.521 27.949 189 HA ALA 27 HA ALA 27 -5.211 27.106 29.170 190 1HB ALA 27 1HB ALA 27 -4.531 25.536 27.222 191 2HB ALA 27 2HB ALA 27 -4.189 24.348 28.481 192 3HB ALA 27 3HB ALA 27 -5.821 24.988 28.291 193 H ALA 28 H ALA 28 -2.306 25.832 30.505 194 HA ALA 28 HA ALA 28 -3.649 24.415 32.724 195 1HB ALA 28 1HB ALA 28 -0.724 25.067 32.258 196 2HB ALA 28 3HB ALA 28 -1.535 23.665 31.560 197 3HB ALA 28 2HB ALA 28 -1.373 23.809 33.310 198 H ASP 29 H ASP 29 -2.448 27.577 32.008 199 HA ASP 29 HA ASP 29 -2.187 28.294 34.884 200 1HB ASP 29 1HB ASP 29 -0.677 28.905 32.756 201 2HB ASP 29 2HB ASP 29 -1.835 30.230 32.634 202 H ALA 30 H ALA 30 -4.261 28.801 32.089 203 HA ALA 30 HA ALA 30 -5.797 30.977 33.305 204 1HB ALA 30 1HB ALA 30 -6.444 29.159 30.964 205 2HB ALA 30 3HB ALA 30 -7.108 30.764 31.270 206 3HB ALA 30 2HB ALA 30 -5.406 30.579 30.844 207 H GLY 31 H GLY 31 -5.872 27.498 33.369 208 1HA GLY 31 2HA GLY 31 -8.181 27.590 35.198 209 2HA GLY 31 1HA GLY 31 -7.174 26.179 34.875 210 H LEU 32 H LEU 32 -7.316 25.912 32.156 211 HA LEU 32 HA LEU 32 -9.951 26.227 31.029 212 1HB LEU 32 1HB LEU 32 -7.390 24.824 30.425 213 2HB LEU 32 2HB LEU 32 -8.826 24.250 29.578 214 HG LEU 32 HG LEU 32 -7.712 26.014 28.274 215 1HD1 LEU 32 1HD1 LEU 32 -10.319 25.800 28.605 216 2HD1 LEU 32 2HD1 LEU 32 -10.141 27.347 29.432 217 3HD1 LEU 32 3HD1 LEU 32 -9.655 27.188 27.744 218 1HD2 LEU 32 1HD2 LEU 32 -7.008 27.092 30.655 219 2HD2 LEU 32 2HD2 LEU 32 -7.031 28.018 29.154 220 3HD2 LEU 32 3HD2 LEU 32 -8.396 28.108 30.268 221 H ASP 33 H ASP 33 -11.677 24.753 30.969 222 HA ASP 33 HA ASP 33 -12.203 22.999 33.076 223 1HB ASP 33 1HB ASP 33 -13.130 23.382 30.272 224 2HB ASP 33 2HB ASP 33 -13.610 21.876 31.057 225 H GLY 34 H GLY 34 -11.686 20.853 33.524 226 1HA GLY 34 2HA GLY 34 -10.502 18.833 33.385 227 2HA GLY 34 1HA GLY 34 -9.391 19.671 32.303 228 H GLU 35 H GLU 35 -12.788 19.520 31.520 229 HA GLU 35 HA GLU 35 -12.751 17.097 29.963 230 1HB GLU 35 1HB GLU 35 -14.584 18.963 30.871 231 2HB GLU 35 2HB GLU 35 -14.593 19.229 29.128 232 1HG GLU 35 1HG GLU 35 -14.985 16.823 28.758 233 2HG GLU 35 2HG GLU 35 -14.960 16.548 30.500 234 H ASP 36 H ASP 36 -11.475 20.247 29.372 235 HA ASP 36 HA ASP 36 -11.392 19.759 26.419 236 1HB ASP 36 1HB ASP 36 -11.286 22.140 28.250 237 2HB ASP 36 2HB ASP 36 -10.582 22.267 26.638 238 H TYR 37 H TYR 37 -9.284 20.980 29.058 239 HA TYR 37 HA TYR 37 -6.952 19.809 27.574 240 1HB TYR 37 1HB TYR 37 -6.763 22.152 27.380 241 2HB TYR 37 2HB TYR 37 -7.391 22.429 29.002 242 HD1 TYR 37 HD1 TYR 37 -4.487 20.972 27.153 243 HD2 TYR 37 HD2 TYR 37 -5.927 22.643 30.839 244 HE1 TYR 37 HE1 TYR 37 -2.173 20.998 28.045 245 HE2 TYR 37 HE2 TYR 37 -3.614 22.669 31.730 246 HH TYR 37 HH TYR 37 -0.857 22.006 29.710 247 H GLY 38 H GLY 38 -5.384 18.761 28.869 248 1HA GLY 38 2HA GLY 38 -6.337 17.808 31.469 249 2HA GLY 38 1HA GLY 38 -4.894 18.818 31.563 250 H THR 39 H THR 39 -3.909 16.752 32.398 251 HA THR 39 HA THR 39 -2.513 15.369 30.227 252 HB THR 39 HB THR 39 -2.196 14.291 32.921 253 HG1 THR 39 HG1 THR 39 -1.551 17.013 32.670 254 1HG2 THR 39 1HG2 THR 39 -0.613 14.388 30.851 255 2HG2 THR 39 2HG2 THR 39 -0.233 16.011 31.427 256 3HG2 THR 39 3HG2 THR 39 0.078 14.615 32.459 257 H MET 40 H MET 40 -3.196 13.461 29.319 258 HA MET 40 HA MET 40 -5.459 12.017 30.598 259 1HB MET 40 1HB MET 40 -4.528 12.633 27.938 260 2HB MET 40 2HB MET 40 -4.706 10.887 28.109 261 1HG MET 40 1HG MET 40 -6.998 11.091 28.759 262 2HG MET 40 2HG MET 40 -6.848 12.832 28.995 263 1HE MET 40 1HE MET 40 -6.434 9.948 26.932 264 2HE MET 40 2HE MET 40 -7.688 10.187 25.708 265 3HE MET 40 3HE MET 40 -6.004 10.539 25.328 266 H GLU 41 H GLU 41 -4.115 11.018 32.300 267 HA GLU 41 HA GLU 41 -1.790 9.441 31.832 268 1HB GLU 41 1HB GLU 41 -2.524 8.400 34.026 269 2HB GLU 41 2HB GLU 41 -2.471 10.163 34.037 270 1HG GLU 41 1HG GLU 41 -4.697 10.311 34.399 271 2HG GLU 41 2HG GLU 41 -5.048 9.164 33.106 272 H VAL 42 H VAL 42 -1.816 7.822 30.283 273 HA VAL 42 HA VAL 42 -4.140 5.924 30.297 274 HB VAL 42 HB VAL 42 -2.149 6.740 28.155 275 1HG1 VAL 42 1HG1 VAL 42 -4.316 4.635 28.215 276 2HG1 VAL 42 2HG1 VAL 42 -3.764 5.353 26.701 277 3HG1 VAL 42 3HG1 VAL 42 -2.633 4.458 27.717 278 1HG2 VAL 42 1HG2 VAL 42 -4.491 7.969 29.035 279 2HG2 VAL 42 2HG2 VAL 42 -3.710 8.227 27.474 280 3HG2 VAL 42 3HG2 VAL 42 -5.007 7.041 27.626 281 H ALA 43 H ALA 43 -3.635 3.955 31.176 282 HA ALA 43 HA ALA 43 -1.066 3.150 32.051 283 1HB ALA 43 1HB ALA 43 -3.489 2.300 32.538 284 2HB ALA 43 3HB ALA 43 -2.166 1.135 32.584 285 3HB ALA 43 2HB ALA 43 -3.211 1.226 31.166 286 H GLU 44 H GLU 44 0.506 1.755 31.115 287 HA GLU 44 HA GLU 44 0.844 1.911 28.256 288 1HB GLU 44 1HB GLU 44 2.144 0.319 30.483 289 2HB GLU 44 2HB GLU 44 2.732 0.289 28.821 290 1HG GLU 44 1HG GLU 44 2.262 3.000 29.869 291 2HG GLU 44 2HG GLU 44 3.518 2.110 30.730 292 H GLY 45 H GLY 45 -0.357 0.728 26.831 293 1HA GLY 45 2HA GLY 45 -0.826 -2.148 27.444 294 2HA GLY 45 1HA GLY 45 -0.862 -1.436 25.831 295 H GLU 46 H GLU 46 -2.416 0.839 27.450 296 HA GLU 46 HA GLU 46 -5.078 -0.547 27.363 297 1HB GLU 46 1HB GLU 46 -4.374 0.243 29.576 298 2HB GLU 46 2HB GLU 46 -4.072 1.854 28.926 299 1HG GLU 46 1HG GLU 46 -6.519 1.902 28.228 300 2HG GLU 46 2HG GLU 46 -6.734 0.433 29.180 301 H TYR 47 H TYR 47 -6.694 0.403 26.100 302 HA TYR 47 HA TYR 47 -6.002 2.104 23.923 303 1HB TYR 47 2HB TYR 47 -8.693 1.630 25.247 304 2HB TYR 47 1HB TYR 47 -8.432 2.150 23.582 305 HD1 TYR 47 HD1 TYR 47 -5.919 0.378 23.160 306 HD2 TYR 47 HD2 TYR 47 -9.851 -0.435 24.686 307 HE1 TYR 47 HE1 TYR 47 -5.703 -1.990 22.456 308 HE2 TYR 47 HE2 TYR 47 -9.635 -2.803 23.982 309 HH TYR 47 HH TYR 47 -7.275 -3.879 21.857 310 H ILE 48 H ILE 48 -5.935 4.335 23.750 311 HA ILE 48 HA ILE 48 -5.847 6.019 26.042 312 HB ILE 48 HB ILE 48 -6.457 6.708 23.147 313 1HG1 ILE 48 1HG1 ILE 48 -3.838 6.295 24.621 314 2HG1 ILE 48 2HG1 ILE 48 -4.450 5.341 23.270 315 1HG2 ILE 48 1HG2 ILE 48 -6.367 8.330 25.430 316 2HG2 ILE 48 2HG2 ILE 48 -4.792 8.547 24.668 317 3HG2 ILE 48 3HG2 ILE 48 -6.265 8.875 23.755 318 1HD1 ILE 48 1HD1 ILE 48 -4.348 8.215 22.690 319 2HD1 ILE 48 2HD1 ILE 48 -2.766 7.526 23.049 320 3HD1 ILE 48 3HD1 ILE 48 -3.743 6.857 21.743 321 H LEU 49 H LEU 49 -8.384 6.018 23.491 322 HA LEU 49 HA LEU 49 -10.283 7.658 24.655 323 1HB LEU 49 1HB LEU 49 -10.597 6.664 22.487 324 2HB LEU 49 2HB LEU 49 -10.556 5.035 23.161 325 HG LEU 49 HG LEU 49 -12.613 5.969 24.587 326 1HD1 LEU 49 1HD1 LEU 49 -12.420 8.249 23.618 327 2HD1 LEU 49 2HD1 LEU 49 -12.724 7.574 22.017 328 3HD1 LEU 49 3HD1 LEU 49 -13.979 7.508 23.255 329 1HD2 LEU 49 1HD2 LEU 49 -12.297 4.518 22.097 330 2HD2 LEU 49 2HD2 LEU 49 -13.457 4.252 23.399 331 3HD2 LEU 49 3HD2 LEU 49 -13.823 5.404 22.114 332 H GLU 50 H GLU 50 -9.341 4.437 25.694 333 HA GLU 50 HA GLU 50 -11.625 3.961 27.422 334 1HB GLU 50 1HB GLU 50 -10.032 2.273 26.404 335 2HB GLU 50 2HB GLU 50 -8.816 2.825 27.555 336 1HG GLU 50 1HG GLU 50 -9.693 1.189 28.882 337 2HG GLU 50 2HG GLU 50 -10.932 2.398 29.221 338 H ALA 51 H ALA 51 -8.230 4.917 28.083 339 HA ALA 51 HA ALA 51 -8.628 5.387 30.890 340 1HB ALA 51 1HB ALA 51 -6.613 6.307 28.827 341 2HB ALA 51 3HB ALA 51 -6.451 6.685 30.542 342 3HB ALA 51 2HB ALA 51 -6.430 5.006 30.004 343 H ALA 52 H ALA 52 -8.922 7.437 28.027 344 HA ALA 52 HA ALA 52 -9.252 9.928 29.476 345 1HB ALA 52 1HB ALA 52 -9.228 8.902 26.750 346 2HB ALA 52 3HB ALA 52 -10.474 10.131 26.966 347 3HB ALA 52 2HB ALA 52 -8.792 10.507 27.336 348 H GLU 53 H GLU 53 -11.459 7.511 28.125 349 HA GLU 53 HA GLU 53 -13.907 8.922 28.619 350 1HB GLU 53 1HB GLU 53 -13.680 6.972 27.135 351 2HB GLU 53 2HB GLU 53 -13.245 5.960 28.513 352 1HG GLU 53 1HG GLU 53 -15.409 6.039 29.417 353 2HG GLU 53 2HG GLU 53 -15.831 7.499 28.523 354 H ALA 54 H ALA 54 -11.802 6.972 30.642 355 HA ALA 54 HA ALA 54 -13.635 6.523 32.822 356 1HB ALA 54 1HB ALA 54 -10.605 6.714 32.685 357 2HB ALA 54 3HB ALA 54 -11.513 6.010 34.023 358 3HB ALA 54 2HB ALA 54 -11.560 5.252 32.431 359 H GLN 55 H GLN 55 -11.751 9.258 31.784 360 HA GLN 55 HA GLN 55 -11.990 10.634 34.402 361 1HB GLN 55 1HB GLN 55 -10.825 11.519 31.740 362 2HB GLN 55 2HB GLN 55 -10.551 12.283 33.307 363 1HG GLN 55 1HG GLN 55 -9.957 9.386 33.211 364 2HG GLN 55 2HG GLN 55 -8.902 10.395 32.221 365 2HE2 GLN 55 2HE2 GLN 55 -7.083 11.034 33.379 366 1HE2 GLN 55 1HE2 GLN 55 -7.056 11.395 35.037 367 H GLY 56 H GLY 56 -13.725 10.326 31.461 368 1HA GLY 56 2HA GLY 56 -15.439 12.632 32.245 369 2HA GLY 56 1HA GLY 56 -15.959 11.274 31.245 370 H TYR 57 H TYR 57 -13.356 11.437 29.711 371 HA TYR 57 HA TYR 57 -13.486 14.055 28.364 372 1HB TYR 57 1HB TYR 57 -11.902 11.526 27.800 373 2HB TYR 57 2HB TYR 57 -11.584 13.114 27.102 374 HD1 TYR 57 HD1 TYR 57 -12.642 14.122 30.135 375 HD2 TYR 57 HD2 TYR 57 -9.396 11.853 28.473 376 HE1 TYR 57 HE1 TYR 57 -11.236 14.694 32.097 377 HE2 TYR 57 HE2 TYR 57 -7.992 12.424 30.431 378 HH TYR 57 HH TYR 57 -9.180 13.585 33.269 379 H ASP 58 H ASP 58 -14.690 14.432 26.541 380 HA ASP 58 HA ASP 58 -16.243 12.212 25.358 381 1HB ASP 58 2HB ASP 58 -17.457 14.032 24.305 382 2HB ASP 58 1HB ASP 58 -17.151 14.487 25.982 383 H TRP 59 H TRP 59 -16.339 12.114 22.901 384 HA TRP 59 HA TRP 59 -13.905 13.057 21.498 385 1HB TRP 59 1HB TRP 59 -14.650 10.151 21.952 386 2HB TRP 59 2HB TRP 59 -13.408 10.684 20.820 387 HD1 TRP 59 HD1 TRP 59 -14.067 10.102 24.474 388 HE1 TRP 59 HE1 TRP 59 -11.930 10.590 25.830 389 HE3 TRP 59 HE3 TRP 59 -11.187 12.253 20.846 390 HZ2 TRP 59 HZ2 TRP 59 -9.343 11.733 25.432 391 HZ3 TRP 59 HZ3 TRP 59 -8.891 13.030 21.363 392 HH2 TRP 59 HH2 TRP 59 -7.966 12.773 23.650 393 HA PRO 60 HA PRO 60 -16.786 13.243 18.193 394 1HB PRO 60 1HB PRO 60 -15.057 13.208 16.073 395 2HB PRO 60 2HB PRO 60 -15.266 14.618 17.128 396 1HG PRO 60 1HG PRO 60 -13.113 12.562 17.106 397 2HG PRO 60 2HG PRO 60 -13.007 14.302 17.404 398 1HD PRO 60 1HD PRO 60 -12.966 12.397 19.377 399 2HD PRO 60 2HD PRO 60 -13.501 14.072 19.624 400 H PHE 61 H PHE 61 -17.925 11.778 16.913 401 HA PHE 61 HA PHE 61 -18.567 9.640 16.123 402 1HB PHE 61 1HB PHE 61 -16.470 10.689 14.740 403 2HB PHE 61 2HB PHE 61 -15.774 9.151 15.249 404 HD1 PHE 61 HD1 PHE 61 -17.579 7.112 15.073 405 HD2 PHE 61 HD2 PHE 61 -17.553 10.682 12.685 406 HE1 PHE 61 HE1 PHE 61 -18.873 5.943 13.311 407 HE2 PHE 61 HE2 PHE 61 -18.848 9.513 10.922 408 HZ PHE 61 HZ PHE 61 -19.508 7.142 11.236 409 H SER 62 H SER 62 -18.711 8.832 18.423 410 HA SER 62 HA SER 62 -16.587 7.548 19.809 411 1HB SER 62 1HB SER 62 -18.297 6.915 21.238 412 2HB SER 62 2HB SER 62 -19.141 8.167 20.327 413 HG SER 62 HG SER 62 -19.465 5.432 20.308 414 H CYS 63 H CYS 63 -16.912 4.983 20.250 415 HA CYS 63 HA CYS 63 -16.983 3.643 17.562 416 1HB CYS 63 1HB CYS 63 -14.948 3.870 19.634 417 2HB CYS 63 2HB CYS 63 -15.315 2.181 19.279 418 H ARG 64 H ARG 64 -19.258 3.832 19.339 419 HA ARG 64 HA ARG 64 -19.422 1.255 20.775 420 1HB ARG 64 1HB ARG 64 -21.045 3.753 20.448 421 2HB ARG 64 2HB ARG 64 -21.859 2.294 21.014 422 1HG ARG 64 1HG ARG 64 -19.789 2.147 22.650 423 2HG ARG 64 2HG ARG 64 -19.673 3.877 22.326 424 1HD ARG 64 1HD ARG 64 -22.428 3.291 22.802 425 2HD ARG 64 2HD ARG 64 -21.484 2.536 24.101 426 HE ARG 64 HE ARG 64 -20.551 5.222 23.454 427 1HH1 ARG 64 1HH1 ARG 64 -21.196 3.440 26.061 428 2HH1 ARG 64 2HH1 ARG 64 -22.182 4.587 26.902 429 1HH2 ARG 64 1HH2 ARG 64 -22.542 6.683 24.162 430 2HH2 ARG 64 2HH2 ARG 64 -22.947 6.424 25.826 431 H ALA 65 H ALA 65 -20.918 2.828 17.937 432 HA ALA 65 HA ALA 65 -21.273 0.315 16.550 433 1HB ALA 65 1HB ALA 65 -23.165 1.005 18.558 434 2HB ALA 65 3HB ALA 65 -23.969 1.224 17.003 435 3HB ALA 65 2HB ALA 65 -23.255 -0.335 17.414 436 H GLY 66 H GLY 66 -20.371 1.636 14.840 437 1HA GLY 66 2HA GLY 66 -21.438 4.139 13.990 438 2HA GLY 66 1HA GLY 66 -22.255 2.856 13.098 439 H ALA 67 H ALA 67 -19.915 1.082 13.096 440 HA ALA 67 HA ALA 67 -17.896 0.747 11.888 441 1HB ALA 67 1HB ALA 67 -18.345 1.072 9.623 442 2HB ALA 67 3HB ALA 67 -19.970 1.202 10.296 443 3HB ALA 67 2HB ALA 67 -19.064 2.660 9.893 444 H CYS 68 H CYS 68 -17.768 2.957 13.796 445 HA CYS 68 HA CYS 68 -16.709 5.367 12.728 446 1HB CYS 68 1HB CYS 68 -17.401 5.068 15.050 447 2HB CYS 68 2HB CYS 68 -16.148 3.853 15.298 448 H ALA 69 H ALA 69 -14.532 3.275 14.563 449 HA ALA 69 HA ALA 69 -12.261 2.741 14.161 450 1HB ALA 69 1HB ALA 69 -13.945 2.048 11.847 451 2HB ALA 69 3HB ALA 69 -12.766 1.061 12.709 452 3HB ALA 69 2HB ALA 69 -12.229 2.181 11.458 453 H ASN 70 H ASN 70 -12.962 5.582 13.961 454 HA ASN 70 HA ASN 70 -10.569 6.565 12.657 455 1HB ASN 70 1HB ASN 70 -11.761 6.154 10.631 456 2HB ASN 70 2HB ASN 70 -13.267 6.778 11.304 457 2HD2 ASN 70 2HD2 ASN 70 -13.392 9.163 11.660 458 1HD2 ASN 70 1HD2 ASN 70 -12.386 10.204 10.774 459 H CYS 71 H CYS 71 -10.131 8.007 14.307 460 HA CYS 71 HA CYS 71 -12.348 9.750 15.303 461 1HB CYS 71 1HB CYS 71 -10.142 8.302 16.458 462 2HB CYS 71 2HB CYS 71 -9.962 10.018 16.822 463 H ALA 72 H ALA 72 -11.206 11.968 16.138 464 HA ALA 72 HA ALA 72 -9.490 12.996 13.904 465 1HB ALA 72 1HB ALA 72 -12.188 13.730 14.818 466 2HB ALA 72 3HB ALA 72 -11.101 15.111 14.665 467 3HB ALA 72 2HB ALA 72 -11.399 14.065 13.277 468 H SER 73 H SER 73 -7.577 13.485 14.927 469 HA SER 73 HA SER 73 -7.677 15.310 17.275 470 1HB SER 73 2HB SER 73 -5.926 12.848 17.258 471 2HB SER 73 1HB SER 73 -6.393 13.847 18.634 472 HG SER 73 HG SER 73 -8.033 12.108 17.115 473 H ILE 74 H ILE 74 -5.303 16.024 17.770 474 HA ILE 74 HA ILE 74 -3.624 16.026 15.295 475 HB ILE 74 HB ILE 74 -4.433 18.440 16.952 476 1HG1 ILE 74 1HG1 ILE 74 -6.263 17.489 15.536 477 2HG1 ILE 74 2HG1 ILE 74 -5.757 19.095 15.011 478 1HG2 ILE 74 1HG2 ILE 74 -2.130 18.409 15.831 479 2HG2 ILE 74 2HG2 ILE 74 -2.996 18.387 14.295 480 3HG2 ILE 74 3HG2 ILE 74 -3.191 19.750 15.398 481 1HD1 ILE 74 1HD1 ILE 74 -4.724 16.501 13.820 482 2HD1 ILE 74 2HD1 ILE 74 -6.012 17.478 13.113 483 3HD1 ILE 74 3HD1 ILE 74 -4.380 18.134 13.247 484 H VAL 75 H VAL 75 -2.321 14.515 16.630 485 HA VAL 75 HA VAL 75 -1.265 14.935 19.181 486 HB VAL 75 HB VAL 75 -0.952 12.955 17.715 487 1HG1 VAL 75 1HG1 VAL 75 -0.254 14.735 15.791 488 2HG1 VAL 75 2HG1 VAL 75 1.346 14.216 16.322 489 3HG1 VAL 75 3HG1 VAL 75 0.185 13.027 15.730 490 1HG2 VAL 75 1HG2 VAL 75 0.818 13.977 19.564 491 2HG2 VAL 75 2HG2 VAL 75 0.916 12.363 18.861 492 3HG2 VAL 75 3HG2 VAL 75 1.861 13.684 18.173 493 H LYS 76 H LYS 76 -0.244 16.760 19.969 494 HA LYS 76 HA LYS 76 1.165 18.581 18.113 495 1HB LYS 76 1HB LYS 76 -0.357 18.807 20.439 496 2HB LYS 76 2HB LYS 76 1.287 19.152 20.977 497 1HG LYS 76 1HG LYS 76 0.505 21.260 20.275 498 2HG LYS 76 2HG LYS 76 1.408 20.684 18.874 499 1HD LYS 76 1HD LYS 76 -0.460 20.541 17.595 500 2HD LYS 76 2HD LYS 76 -1.393 19.799 18.895 501 1HE LYS 76 1HE LYS 76 -1.166 22.315 19.885 502 2HE LYS 76 2HE LYS 76 -1.150 22.666 18.147 503 1HZ LYS 76 1HZ LYS 76 -3.108 20.883 19.507 504 2HZ LYS 76 2HZ LYS 76 -3.425 22.490 19.061 505 3HZ LYS 76 3HZ LYS 76 -3.116 21.323 17.867 506 H GLU 77 H GLU 77 1.976 15.872 19.979 507 HA GLU 77 HA GLU 77 4.784 16.067 19.451 508 1HB GLU 77 1HB GLU 77 3.784 17.648 21.605 509 2HB GLU 77 2HB GLU 77 4.733 16.339 22.308 510 1HG GLU 77 1HG GLU 77 6.236 17.182 20.104 511 2HG GLU 77 2HG GLU 77 5.636 18.676 20.824 512 H GLY 78 H GLY 78 5.959 14.534 21.272 513 1HA GLY 78 2HA GLY 78 4.420 12.510 22.555 514 2HA GLY 78 1HA GLY 78 6.116 12.345 22.101 515 H GLU 79 H GLU 79 4.115 10.266 21.883 516 HA GLU 79 HA GLU 79 3.376 10.060 19.044 517 1HB GLU 79 2HB GLU 79 4.950 8.315 18.521 518 2HB GLU 79 1HB GLU 79 5.876 9.620 19.264 519 1HG GLU 79 1HG GLU 79 5.785 8.460 21.435 520 2HG GLU 79 2HG GLU 79 4.841 7.160 20.707 521 H ILE 80 H ILE 80 1.658 8.642 18.859 522 HA ILE 80 HA ILE 80 0.955 7.027 21.280 523 HB ILE 80 HB ILE 80 -0.695 8.047 18.943 524 1HG1 ILE 80 1HG1 ILE 80 -0.936 8.981 21.788 525 2HG1 ILE 80 2HG1 ILE 80 0.324 9.659 20.757 526 1HG2 ILE 80 1HG2 ILE 80 -1.402 5.896 20.231 527 2HG2 ILE 80 2HG2 ILE 80 -1.755 6.998 21.562 528 3HG2 ILE 80 3HG2 ILE 80 -2.597 7.176 20.022 529 1HD1 ILE 80 1HD1 ILE 80 -1.867 9.744 19.098 530 2HD1 ILE 80 2HD1 ILE 80 -2.593 10.066 20.672 531 3HD1 ILE 80 3HD1 ILE 80 -1.297 11.099 20.072 532 H ASP 81 H ASP 81 0.536 4.806 21.040 533 HA ASP 81 HA ASP 81 1.572 3.538 18.582 534 1HB ASP 81 1HB ASP 81 2.144 2.826 20.921 535 2HB ASP 81 2HB ASP 81 0.458 2.364 21.150 536 H MET 82 H MET 82 0.267 1.874 17.456 537 HA MET 82 HA MET 82 -2.650 1.864 17.935 538 1HB MET 82 1HB MET 82 -3.130 2.777 15.703 539 2HB MET 82 2HB MET 82 -2.154 3.923 16.623 540 1HG MET 82 1HG MET 82 -0.386 2.120 15.275 541 2HG MET 82 2HG MET 82 -1.550 2.730 14.100 542 1HE MET 82 1HE MET 82 -1.905 5.024 13.401 543 2HE MET 82 2HE MET 82 -0.479 6.055 13.212 544 3HE MET 82 3HE MET 82 -0.452 4.392 12.631 545 H ASP 83 H ASP 83 -3.736 0.278 16.481 546 HA ASP 83 HA ASP 83 -2.079 -2.090 16.050 547 1HB ASP 83 1HB ASP 83 -4.802 -1.395 16.457 548 2HB ASP 83 2HB ASP 83 -4.722 -2.223 14.902 549 H MET 84 H MET 84 -1.749 -3.116 13.975 550 HA MET 84 HA MET 84 -0.988 -1.451 11.821 551 1HB MET 84 2HB MET 84 -1.924 -4.336 11.741 552 2HB MET 84 1HB MET 84 -0.814 -3.562 10.610 553 1HG MET 84 1HG MET 84 0.521 -3.019 12.854 554 2HG MET 84 2HG MET 84 -0.344 -4.444 13.429 555 1HE MET 84 1HE MET 84 1.404 -2.859 10.598 556 2HE MET 84 2HE MET 84 2.899 -3.336 11.399 557 3HE MET 84 3HE MET 84 2.448 -4.067 9.852 558 H GLN 85 H GLN 85 -2.230 -0.329 10.379 559 HA GLN 85 HA GLN 85 -4.701 -1.469 9.283 560 1HB GLN 85 1HB GLN 85 -4.947 -0.230 11.675 561 2HB GLN 85 2HB GLN 85 -5.101 1.165 10.608 562 1HG GLN 85 1HG GLN 85 -7.214 0.570 10.114 563 2HG GLN 85 2HG GLN 85 -6.645 -0.988 9.515 564 2HE2 GLN 85 2HE2 GLN 85 -8.781 -1.754 10.546 565 1HE2 GLN 85 1HE2 GLN 85 -8.762 -2.135 12.200 566 H GLN 86 H GLN 86 -4.865 -0.718 7.199 567 HA GLN 86 HA GLN 86 -3.103 1.510 6.352 568 1HB GLN 86 1HB GLN 86 -3.699 -0.929 5.315 569 2HB GLN 86 2HB GLN 86 -4.865 0.069 4.446 570 1HG GLN 86 1HG GLN 86 -2.434 1.513 4.428 571 2HG GLN 86 2HG GLN 86 -2.014 -0.155 4.036 572 2HE2 GLN 86 2HE2 GLN 86 -1.852 -0.175 1.771 573 1HE2 GLN 86 1HE2 GLN 86 -3.049 0.410 0.718 574 H ILE 87 H ILE 87 -4.799 2.894 7.731 575 HA ILE 87 HA ILE 87 -6.814 3.929 5.774 576 HB ILE 87 HB ILE 87 -8.386 4.140 7.696 577 1HG1 ILE 87 1HG1 ILE 87 -7.246 2.366 9.562 578 2HG1 ILE 87 2HG1 ILE 87 -5.962 3.504 9.152 579 1HG2 ILE 87 1HG2 ILE 87 -7.461 1.710 6.455 580 2HG2 ILE 87 2HG2 ILE 87 -7.983 1.362 8.104 581 3HG2 ILE 87 3HG2 ILE 87 -9.095 2.130 6.970 582 1HD1 ILE 87 1HD1 ILE 87 -8.047 5.221 9.396 583 2HD1 ILE 87 2HD1 ILE 87 -8.539 3.980 10.548 584 3HD1 ILE 87 3HD1 ILE 87 -6.988 4.796 10.741 585 H LEU 88 H LEU 88 -4.107 4.875 6.572 586 HA LEU 88 HA LEU 88 -4.870 7.644 7.301 587 1HB LEU 88 1HB LEU 88 -4.253 5.940 9.296 588 2HB LEU 88 2HB LEU 88 -2.622 6.438 8.847 589 HG LEU 88 HG LEU 88 -3.844 8.853 8.867 590 1HD1 LEU 88 1HD1 LEU 88 -5.856 7.278 9.833 591 2HD1 LEU 88 2HD1 LEU 88 -5.060 7.757 11.332 592 3HD1 LEU 88 3HD1 LEU 88 -5.671 8.988 10.226 593 1HD2 LEU 88 1HD2 LEU 88 -1.785 8.197 10.086 594 2HD2 LEU 88 2HD2 LEU 88 -2.860 9.159 11.100 595 3HD2 LEU 88 3HD2 LEU 88 -2.776 7.410 11.314 596 H SER 89 H SER 89 -2.775 9.048 7.223 597 HA SER 89 HA SER 89 -0.779 7.916 5.301 598 1HB SER 89 2HB SER 89 -1.592 10.713 4.849 599 2HB SER 89 1HB SER 89 -1.385 9.405 3.685 600 HG SER 89 HG SER 89 -3.463 9.289 3.676 601 H ASP 90 H ASP 90 1.307 8.537 5.810 602 HA ASP 90 HA ASP 90 2.028 9.714 8.251 603 1HB ASP 90 1HB ASP 90 3.419 8.446 6.522 604 2HB ASP 90 2HB ASP 90 3.568 9.976 5.656 605 H GLU 91 H GLU 91 1.572 11.295 5.094 606 HA GLU 91 HA GLU 91 2.390 13.916 5.747 607 1HB GLU 91 1HB GLU 91 1.097 12.546 3.664 608 2HB GLU 91 2HB GLU 91 -0.029 13.822 4.123 609 1HG GLU 91 1HG GLU 91 2.746 14.751 4.022 610 2HG GLU 91 2HG GLU 91 2.178 14.135 2.469 611 H GLU 92 H GLU 92 -0.521 12.152 6.611 612 HA GLU 92 HA GLU 92 -2.074 14.426 7.513 613 1HB GLU 92 1HB GLU 92 -2.654 11.910 6.910 614 2HB GLU 92 2HB GLU 92 -2.331 11.647 8.624 615 1HG GLU 92 1HG GLU 92 -4.654 12.115 8.523 616 2HG GLU 92 2HG GLU 92 -3.921 13.633 9.043 617 H VAL 93 H VAL 93 0.132 12.124 9.090 618 HA VAL 93 HA VAL 93 -0.250 13.281 11.751 619 HB VAL 93 HB VAL 93 1.772 11.352 10.563 620 1HG1 VAL 93 1HG1 VAL 93 1.192 12.237 13.390 621 2HG1 VAL 93 2HG1 VAL 93 1.924 10.669 13.050 622 3HG1 VAL 93 3HG1 VAL 93 2.749 12.151 12.567 623 1HG2 VAL 93 1HG2 VAL 93 -1.003 11.098 11.171 624 2HG2 VAL 93 2HG2 VAL 93 0.115 9.832 10.660 625 3HG2 VAL 93 3HG2 VAL 93 -0.108 10.171 12.376 626 H GLU 94 H GLU 94 1.767 13.899 8.995 627 HA GLU 94 HA GLU 94 3.762 15.419 10.584 628 1HB GLU 94 1HB GLU 94 3.552 14.097 7.987 629 2HB GLU 94 2HB GLU 94 4.260 15.706 7.848 630 1HG GLU 94 1HG GLU 94 6.006 15.181 9.383 631 2HG GLU 94 2HG GLU 94 5.187 13.718 9.929 632 H GLU 95 H GLU 95 1.169 15.930 8.212 633 HA GLU 95 HA GLU 95 1.578 18.884 8.407 634 1HB GLU 95 1HB GLU 95 1.174 17.161 6.290 635 2HB GLU 95 2HB GLU 95 -0.449 17.792 6.569 636 1HG GLU 95 1HG GLU 95 1.610 19.871 6.710 637 2HG GLU 95 2HG GLU 95 1.555 19.073 5.137 638 H LYS 96 H LYS 96 -0.627 16.298 9.254 639 HA LYS 96 HA LYS 96 -2.583 18.336 10.272 640 1HB LYS 96 1HB LYS 96 -2.818 16.015 8.588 641 2HB LYS 96 2HB LYS 96 -3.738 15.742 10.067 642 1HG LYS 96 1HG LYS 96 -5.184 16.845 8.455 643 2HG LYS 96 2HG LYS 96 -4.808 17.990 9.742 644 1HD LYS 96 1HD LYS 96 -3.378 19.243 8.392 645 2HD LYS 96 2HD LYS 96 -3.047 17.889 7.312 646 1HE LYS 96 1HE LYS 96 -5.854 18.396 7.190 647 2HE LYS 96 2HE LYS 96 -5.019 19.948 6.997 648 1HZ LYS 96 1HZ LYS 96 -4.166 17.468 5.606 649 2HZ LYS 96 2HZ LYS 96 -5.254 18.571 4.911 650 3HZ LYS 96 3HZ LYS 96 -3.672 19.061 5.287 651 H ASP 97 H ASP 97 -0.250 16.113 11.215 652 HA ASP 97 HA ASP 97 0.206 15.009 13.263 653 1HB ASP 97 2HB ASP 97 -1.592 17.085 14.497 654 2HB ASP 97 1HB ASP 97 -0.042 16.482 15.076 655 H VAL 98 H VAL 98 -2.329 14.242 11.785 656 HA VAL 98 HA VAL 98 -4.348 13.733 13.823 657 HB VAL 98 HB VAL 98 -3.828 12.886 10.969 658 1HG1 VAL 98 1HG1 VAL 98 -5.970 11.930 12.874 659 2HG1 VAL 98 2HG1 VAL 98 -6.219 11.939 11.129 660 3HG1 VAL 98 3HG1 VAL 98 -4.927 10.965 11.830 661 1HG2 VAL 98 1HG2 VAL 98 -4.716 15.210 11.754 662 2HG2 VAL 98 2HG2 VAL 98 -5.561 14.387 10.443 663 3HG2 VAL 98 3HG2 VAL 98 -6.219 14.344 12.078 664 H ARG 99 H ARG 99 -4.769 11.740 14.864 665 HA ARG 99 HA ARG 99 -3.033 9.407 14.328 666 1HB ARG 99 1HB ARG 99 -2.626 11.390 16.445 667 2HB ARG 99 2HB ARG 99 -2.759 9.749 17.075 668 1HG ARG 99 1HG ARG 99 -1.071 9.054 15.308 669 2HG ARG 99 2HG ARG 99 -0.823 10.770 14.985 670 1HD ARG 99 1HD ARG 99 -0.411 10.981 17.546 671 2HD ARG 99 2HD ARG 99 -0.192 9.221 17.500 672 HE ARG 99 HE ARG 99 1.644 11.182 16.388 673 1HH1 ARG 99 1HH1 ARG 99 0.563 9.432 14.099 674 2HH1 ARG 99 2HH1 ARG 99 1.773 8.194 14.044 675 1HH2 ARG 99 1HH2 ARG 99 3.094 8.984 17.153 676 2HH2 ARG 99 2HH2 ARG 99 3.209 7.940 15.775 677 H LEU 100 H LEU 100 -3.749 7.513 15.636 678 HA LEU 100 HA LEU 100 -6.669 7.525 16.025 679 1HB LEU 100 1HB LEU 100 -4.526 5.679 15.437 680 2HB LEU 100 2HB LEU 100 -5.481 5.067 16.786 681 HG LEU 100 HG LEU 100 -6.779 6.125 14.272 682 1HD1 LEU 100 1HD1 LEU 100 -5.110 3.867 14.404 683 2HD1 LEU 100 2HD1 LEU 100 -6.754 3.232 14.491 684 3HD1 LEU 100 3HD1 LEU 100 -6.270 4.247 13.131 685 1HD2 LEU 100 1HD2 LEU 100 -7.623 4.389 16.600 686 2HD2 LEU 100 2HD2 LEU 100 -8.313 5.929 16.089 687 3HD2 LEU 100 3HD2 LEU 100 -8.561 4.482 15.110 688 H THR 101 H THR 101 -7.635 7.725 18.020 689 HA THR 101 HA THR 101 -5.911 7.373 20.453 690 HB THR 101 HB THR 101 -7.756 9.172 21.242 691 HG1 THR 101 HG1 THR 101 -7.721 10.588 19.195 692 1HG2 THR 101 1HG2 THR 101 -5.099 9.212 20.835 693 2HG2 THR 101 2HG2 THR 101 -5.592 10.315 19.551 694 3HG2 THR 101 3HG2 THR 101 -6.015 10.667 21.226 695 H CYS 102 H CYS 102 -7.480 5.248 19.363 696 HA CYS 102 HA CYS 102 -9.421 4.876 21.590 697 1HB CYS 102 1HB CYS 102 -9.966 4.780 18.616 698 2HB CYS 102 2HB CYS 102 -11.029 3.995 19.785 699 H ILE 103 H ILE 103 -8.078 3.326 18.645 700 HA ILE 103 HA ILE 103 -8.079 0.708 20.065 701 HB ILE 103 HB ILE 103 -9.045 0.935 17.790 702 1HG1 ILE 103 1HG1 ILE 103 -6.455 -0.619 17.625 703 2HG1 ILE 103 2HG1 ILE 103 -7.822 -1.165 18.595 704 1HG2 ILE 103 1HG2 ILE 103 -6.582 2.411 17.388 705 2HG2 ILE 103 2HG2 ILE 103 -6.745 1.133 16.184 706 3HG2 ILE 103 3HG2 ILE 103 -8.015 2.342 16.363 707 1HD1 ILE 103 1HD1 ILE 103 -8.539 -0.356 15.853 708 2HD1 ILE 103 2HD1 ILE 103 -7.467 -1.754 15.935 709 3HD1 ILE 103 3HD1 ILE 103 -9.022 -1.784 16.767 710 H GLY 104 H GLY 104 -6.058 3.269 19.948 711 1HA GLY 104 2HA GLY 104 -3.616 3.241 19.351 712 2HA GLY 104 1HA GLY 104 -3.608 1.552 19.855 713 H SER 105 H SER 105 -1.786 2.686 21.236 714 HA SER 105 HA SER 105 -3.003 3.779 23.751 715 1HB SER 105 2HB SER 105 -0.623 2.053 24.010 716 2HB SER 105 1HB SER 105 -2.121 2.043 24.941 717 HG SER 105 HG SER 105 -1.438 0.323 23.151 718 HA PRO 106 HA PRO 106 0.333 6.635 23.880 719 1HB PRO 106 1HB PRO 106 1.408 6.395 26.386 720 2HB PRO 106 2HB PRO 106 -0.177 7.127 26.081 721 1HG PRO 106 2HG PRO 106 0.501 4.397 27.057 722 2HG PRO 106 1HG PRO 106 -0.824 5.468 27.535 723 1HD PRO 106 1HD PRO 106 -1.110 3.343 25.829 724 2HD PRO 106 2HD PRO 106 -2.167 4.770 25.818 725 H ALA 107 H ALA 107 2.569 6.768 23.396 726 HA ALA 107 HA ALA 107 4.173 4.264 23.786 727 1HB ALA 107 1HB ALA 107 3.418 5.801 21.365 728 2HB ALA 107 3HB ALA 107 3.809 4.089 21.530 729 3HB ALA 107 2HB ALA 107 5.103 5.283 21.437 730 H ALA 108 H ALA 108 3.935 7.358 24.729 731 HA ALA 108 HA ALA 108 6.892 7.650 25.005 732 1HB ALA 108 1HB ALA 108 6.825 9.243 23.396 733 2HB ALA 108 3HB ALA 108 5.062 9.202 23.350 734 3HB ALA 108 2HB ALA 108 5.890 10.226 24.522 735 H ASP 109 H ASP 109 7.435 8.414 27.043 736 HA ASP 109 HA ASP 109 5.784 8.388 29.253 737 1HB ASP 109 1HB ASP 109 8.216 8.657 29.320 738 2HB ASP 109 2HB ASP 109 8.081 10.270 28.618 739 H GLU 110 H GLU 110 6.465 11.293 27.266 740 HA GLU 110 HA GLU 110 3.924 12.480 28.337 741 1HB GLU 110 1HB GLU 110 5.120 14.646 28.242 742 2HB GLU 110 2HB GLU 110 5.972 13.499 29.276 743 1HG GLU 110 2HG GLU 110 7.802 13.920 28.020 744 2HG GLU 110 1HG GLU 110 7.010 13.004 26.738 745 H VAL 111 H VAL 111 2.477 12.679 26.678 746 HA VAL 111 HA VAL 111 3.534 13.372 23.955 747 HB VAL 111 HB VAL 111 1.198 11.568 24.665 748 1HG1 VAL 111 1HG1 VAL 111 1.862 12.899 22.287 749 2HG1 VAL 111 2HG1 VAL 111 2.419 11.244 22.049 750 3HG1 VAL 111 3HG1 VAL 111 0.733 11.556 22.458 751 1HG2 VAL 111 1HG2 VAL 111 4.109 11.042 24.191 752 2HG2 VAL 111 2HG2 VAL 111 3.003 10.262 25.321 753 3HG2 VAL 111 3HG2 VAL 111 2.933 9.866 23.603 754 H LYS 112 H LYS 112 2.101 14.726 22.691 755 HA LYS 112 HA LYS 112 -0.117 16.001 24.258 756 1HB LYS 112 1HB LYS 112 2.060 17.230 22.540 757 2HB LYS 112 2HB LYS 112 0.665 18.131 23.134 758 1HG LYS 112 1HG LYS 112 1.306 17.807 25.414 759 2HG LYS 112 2HG LYS 112 2.501 16.586 24.976 760 1HD LYS 112 1HD LYS 112 3.640 18.449 23.605 761 2HD LYS 112 2HD LYS 112 2.612 19.567 24.502 762 1HE LYS 112 1HE LYS 112 3.531 18.745 26.631 763 2HE LYS 112 2HE LYS 112 4.525 17.563 25.758 764 1HZ LYS 112 1HZ LYS 112 4.609 20.410 24.997 765 2HZ LYS 112 2HZ LYS 112 5.517 19.880 26.331 766 3HZ LYS 112 3HZ LYS 112 5.796 19.213 24.794 767 H ILE 113 H ILE 113 -1.987 16.390 23.078 768 HA ILE 113 HA ILE 113 -2.011 16.329 20.143 769 HB ILE 113 HB ILE 113 -1.916 13.959 20.671 770 1HG1 ILE 113 1HG1 ILE 113 -4.851 14.453 20.226 771 2HG1 ILE 113 2HG1 ILE 113 -3.678 14.946 19.005 772 1HG2 ILE 113 1HG2 ILE 113 -4.220 14.576 22.545 773 2HG2 ILE 113 2HG2 ILE 113 -3.657 12.951 22.154 774 3HG2 ILE 113 3HG2 ILE 113 -2.597 14.069 23.013 775 1HD1 ILE 113 1HD1 ILE 113 -2.767 12.464 19.447 776 2HD1 ILE 113 2HD1 ILE 113 -4.453 12.207 19.898 777 3HD1 ILE 113 3HD1 ILE 113 -4.051 12.788 18.283 778 H VAL 114 H VAL 114 -4.024 17.125 19.315 779 HA VAL 114 HA VAL 114 -5.655 18.569 21.321 780 HB VAL 114 HB VAL 114 -4.629 19.234 18.895 781 1HG1 VAL 114 1HG1 VAL 114 -7.479 18.330 18.384 782 2HG1 VAL 114 2HG1 VAL 114 -6.559 19.370 17.298 783 3HG1 VAL 114 3HG1 VAL 114 -6.022 17.720 17.603 784 1HG2 VAL 114 1HG2 VAL 114 -5.632 20.759 20.563 785 2HG2 VAL 114 2HG2 VAL 114 -6.182 21.140 18.931 786 3HG2 VAL 114 3HG2 VAL 114 -7.242 20.266 20.036 787 H TYR 115 H TYR 115 -7.589 17.754 22.023 788 HA TYR 115 HA TYR 115 -8.692 15.354 20.679 789 1HB TYR 115 1HB TYR 115 -9.217 14.797 22.812 790 2HB TYR 115 2HB TYR 115 -8.317 16.222 23.313 791 HD1 TYR 115 HD1 TYR 115 -9.503 18.373 23.737 792 HD2 TYR 115 HD2 TYR 115 -11.618 14.729 22.903 793 HE1 TYR 115 HE1 TYR 115 -11.589 19.388 24.606 794 HE2 TYR 115 HE2 TYR 115 -13.706 15.743 23.777 795 HH TYR 115 HH TYR 115 -14.045 19.060 24.335 796 H ASN 116 H ASN 116 -11.026 15.264 20.186 797 HA ASN 116 HA ASN 116 -12.993 16.135 19.211 798 1HB ASN 116 1HB ASN 116 -12.102 18.070 21.281 799 2HB ASN 116 2HB ASN 116 -13.258 18.689 20.105 800 2HD2 ASN 116 2HD2 ASN 116 -13.190 15.267 21.039 801 1HD2 ASN 116 1HD2 ASN 116 -14.667 15.286 21.874 802 H ALA 117 H ALA 117 -10.478 16.350 17.763 803 HA ALA 117 HA ALA 117 -10.052 18.934 16.613 804 1HB ALA 117 1HB ALA 117 -8.639 16.783 16.564 805 2HB ALA 117 3HB ALA 117 -8.698 17.717 15.070 806 3HB ALA 117 2HB ALA 117 -9.682 16.264 15.240 807 H LYS 118 H LYS 118 -12.674 16.752 16.255 808 HA LYS 118 HA LYS 118 -13.489 16.978 13.589 809 1HB LYS 118 1HB LYS 118 -15.755 16.682 14.523 810 2HB LYS 118 2HB LYS 118 -14.595 15.678 15.392 811 1HG LYS 118 1HG LYS 118 -14.586 17.103 17.270 812 2HG LYS 118 2HG LYS 118 -15.255 18.457 16.357 813 1HD LYS 118 1HD LYS 118 -16.972 16.065 16.370 814 2HD LYS 118 2HD LYS 118 -16.722 16.773 17.966 815 1HE LYS 118 1HE LYS 118 -17.158 19.012 16.406 816 2HE LYS 118 2HE LYS 118 -18.259 17.821 15.687 817 H HIS 119 H HIS 119 -13.299 19.476 16.005 818 HA HIS 119 HA HIS 119 -15.177 21.338 14.837 819 1HB HIS 119 2HB HIS 119 -12.722 21.811 16.559 820 2HB HIS 119 1HB HIS 119 -14.109 22.888 16.398 821 HD1 HIS 119 HD1 HIS 119 -16.463 21.058 16.705 822 HD2 HIS 119 HD2 HIS 119 -13.036 20.629 19.044 823 HE1 HIS 119 HE1 HIS 119 -17.164 19.788 18.781 824 H LEU 120 H LEU 120 -11.923 20.399 14.037 825 HA LEU 120 HA LEU 120 -10.708 22.594 12.890 826 1HB LEU 120 1HB LEU 120 -10.511 19.823 12.767 827 2HB LEU 120 2HB LEU 120 -10.760 20.286 11.084 828 HG LEU 120 HG LEU 120 -8.864 22.012 12.535 829 1HD1 LEU 120 1HD1 LEU 120 -8.450 19.044 12.290 830 2HD1 LEU 120 2HD1 LEU 120 -7.071 20.133 12.134 831 3HD1 LEU 120 3HD1 LEU 120 -8.020 20.119 13.620 832 1HD2 LEU 120 1HD2 LEU 120 -9.155 20.666 9.874 833 2HD2 LEU 120 2HD2 LEU 120 -8.874 22.368 10.242 834 3HD2 LEU 120 3HD2 LEU 120 -7.551 21.208 10.372 835 H ASP 121 H ASP 121 -11.138 23.971 11.187 836 HA ASP 121 HA ASP 121 -13.737 24.021 9.950 837 1HB ASP 121 1HB ASP 121 -12.700 25.869 8.654 838 2HB ASP 121 2HB ASP 121 -12.313 25.991 10.370 839 H TYR 122 H TYR 122 -10.969 22.152 9.276 840 HA TYR 122 HA TYR 122 -11.301 21.983 6.376 841 1HB TYR 122 1HB TYR 122 -9.272 21.558 8.089 842 2HB TYR 122 2HB TYR 122 -9.875 19.904 7.968 843 HD1 TYR 122 HD1 TYR 122 -8.673 22.811 5.969 844 HD2 TYR 122 HD2 TYR 122 -9.498 18.595 6.019 845 HE1 TYR 122 HE1 TYR 122 -7.565 22.568 3.764 846 HE2 TYR 122 HE2 TYR 122 -8.388 18.352 3.814 847 HH TYR 122 HH TYR 122 -7.199 19.372 2.233 848 H LEU 123 H LEU 123 -12.096 19.923 9.165 849 HA LEU 123 HA LEU 123 -13.381 17.897 7.463 850 1HB LEU 123 1HB LEU 123 -12.701 18.330 10.338 851 2HB LEU 123 2HB LEU 123 -14.005 17.198 9.980 852 HG LEU 123 HG LEU 123 -11.579 16.917 8.300 853 1HD1 LEU 123 1HD1 LEU 123 -11.581 16.524 11.285 854 2HD1 LEU 123 2HD1 LEU 123 -10.597 15.485 10.254 855 3HD1 LEU 123 3HD1 LEU 123 -10.329 17.228 10.263 856 1HD2 LEU 123 1HD2 LEU 123 -13.809 15.465 8.622 857 2HD2 LEU 123 2HD2 LEU 123 -12.266 14.719 8.208 858 3HD2 LEU 123 3HD2 LEU 123 -12.827 14.714 9.880 859 H GLN 124 H GLN 124 -14.315 20.781 9.154 860 HA GLN 124 HA GLN 124 -17.084 20.160 9.645 861 1HB GLN 124 1HB GLN 124 -15.725 22.009 10.651 862 2HB GLN 124 2HB GLN 124 -15.733 22.819 9.085 863 1HG GLN 124 1HG GLN 124 -17.516 23.631 10.678 864 2HG GLN 124 2HG GLN 124 -18.138 23.043 9.136 865 2HE2 GLN 124 2HE2 GLN 124 -17.469 21.870 12.483 866 1HE2 GLN 124 1HE2 GLN 124 -18.763 20.772 12.514 867 H ASN 125 H ASN 125 -15.320 21.305 6.822 868 HA ASN 125 HA ASN 125 -17.417 22.348 5.242 869 1HB ASN 125 1HB ASN 125 -14.779 21.978 4.961 870 2HB ASN 125 2HB ASN 125 -15.326 20.591 4.020 871 2HD2 ASN 125 2HD2 ASN 125 -14.213 22.107 2.273 872 1HD2 ASN 125 1HD2 ASN 125 -15.248 23.197 1.484 873 H ARG 126 H ARG 126 -16.816 19.085 6.258 874 HA ARG 126 HA ARG 126 -18.113 17.630 4.164 875 1HB ARG 126 1HB ARG 126 -17.658 17.190 7.124 876 2HB ARG 126 2HB ARG 126 -18.400 15.962 6.099 877 1HG ARG 126 1HG ARG 126 -16.052 16.981 4.788 878 2HG ARG 126 2HG ARG 126 -15.630 16.501 6.432 879 1HD ARG 126 1HD ARG 126 -15.956 14.282 5.984 880 2HD ARG 126 2HD ARG 126 -17.403 14.601 5.010 881 HE ARG 126 HE ARG 126 -14.657 15.205 3.966 882 1HH1 ARG 126 1HH1 ARG 126 -16.958 15.970 2.271 883 2HH1 ARG 126 2HH1 ARG 126 -17.156 14.587 1.246 884 1HH2 ARG 126 1HH2 ARG 126 -15.268 12.490 3.262 885 2HH2 ARG 126 2HH2 ARG 126 -16.200 12.617 1.807 886 H VAL 127 H VAL 127 -19.370 19.723 6.611 887 HA VAL 127 HA VAL 127 -21.885 18.746 7.262 888 HB VAL 127 HB VAL 127 -20.711 20.954 7.836 889 1HG1 VAL 127 1HG1 VAL 127 -20.410 21.633 5.441 890 2HG1 VAL 127 2HG1 VAL 127 -22.156 21.859 5.329 891 3HG1 VAL 127 3HG1 VAL 127 -21.204 22.868 6.418 892 1HG2 VAL 127 1HG2 VAL 127 -23.190 20.217 8.288 893 2HG2 VAL 127 2HG2 VAL 127 -22.728 21.900 8.545 894 3HG2 VAL 127 3HG2 VAL 127 -23.578 21.434 7.072 895 H ILE 128 H ILE 128 -24.046 19.438 6.266 896 HA ILE 128 HA ILE 128 -24.036 18.753 3.390 897 HB ILE 128 HB ILE 128 -26.451 18.520 3.777 898 1HG1 ILE 128 1HG1 ILE 128 -26.224 19.201 6.657 899 2HG1 ILE 128 2HG1 ILE 128 -26.179 20.565 5.540 900 1HG2 ILE 128 1HG2 ILE 128 -24.395 17.221 5.383 901 2HG2 ILE 128 2HG2 ILE 128 -25.960 17.208 6.196 902 3HG2 ILE 128 3HG2 ILE 128 -25.800 16.514 4.583 903 1HD1 ILE 128 1HD1 ILE 128 -28.270 18.435 5.186 904 2HD1 ILE 128 2HD1 ILE 128 -28.498 19.676 6.417 905 3HD1 ILE 128 3HD1 ILE 128 -28.325 20.135 4.723 No H/Q in entry = 905 Start of MODEL 14 1 H2 PRO 1 H2 PRO 1 4.177 8.510 31.375 2 H3 PRO 1 H3 PRO 1 5.045 7.454 30.361 3 HA PRO 1 HA PRO 1 3.185 7.121 29.208 4 1HB PRO 1 1HB PRO 1 1.447 5.862 30.904 5 2HB PRO 1 2HB PRO 1 2.899 5.078 30.253 6 1HG PRO 1 2HG PRO 1 2.440 6.315 32.924 7 2HG PRO 1 1HG PRO 1 3.323 4.841 32.503 8 1HD PRO 1 1HD PRO 1 4.534 7.219 33.068 9 2HD PRO 1 2HD PRO 1 5.242 5.989 32.001 10 H THR 2 H THR 2 3.029 9.696 29.596 11 HA THR 2 HA THR 2 0.261 10.209 30.625 12 HB THR 2 HB THR 2 2.816 11.790 31.049 13 HG1 THR 2 HG1 THR 2 1.753 11.410 33.291 14 1HG2 THR 2 1HG2 THR 2 -0.004 12.599 31.087 15 2HG2 THR 2 2HG2 THR 2 0.846 12.958 32.589 16 3HG2 THR 2 3HG2 THR 2 1.451 13.594 31.059 17 H VAL 3 H VAL 3 -0.859 11.889 29.504 18 HA VAL 3 HA VAL 3 0.476 13.039 27.092 19 HB VAL 3 HB VAL 3 -2.051 11.379 27.266 20 1HG1 VAL 3 1HG1 VAL 3 -1.090 13.181 25.027 21 2HG1 VAL 3 2HG1 VAL 3 -2.340 11.953 24.836 22 3HG1 VAL 3 3HG1 VAL 3 -2.606 13.319 25.919 23 1HG2 VAL 3 1HG2 VAL 3 0.673 11.091 26.127 24 2HG2 VAL 3 2HG2 VAL 3 -0.425 9.857 26.744 25 3HG2 VAL 3 3HG2 VAL 3 -0.649 10.503 25.119 26 H GLU 4 H GLU 4 -1.103 14.758 26.105 27 HA GLU 4 HA GLU 4 -2.762 16.026 28.249 28 1HB GLU 4 1HB GLU 4 -0.201 16.788 27.521 29 2HB GLU 4 2HB GLU 4 -1.217 17.876 26.575 30 1HG GLU 4 1HG GLU 4 -2.201 18.818 28.476 31 2HG GLU 4 2HG GLU 4 -1.829 17.419 29.482 32 H TYR 5 H TYR 5 -4.786 16.206 27.370 33 HA TYR 5 HA TYR 5 -5.065 16.587 24.427 34 1HB TYR 5 1HB TYR 5 -7.402 15.932 24.881 35 2HB TYR 5 2HB TYR 5 -6.284 14.767 25.590 36 HD1 TYR 5 HD1 TYR 5 -8.585 17.575 26.308 37 HD2 TYR 5 HD2 TYR 5 -6.045 14.544 27.984 38 HE1 TYR 5 HE1 TYR 5 -9.575 17.982 28.548 39 HE2 TYR 5 HE2 TYR 5 -7.032 14.951 30.221 40 HH TYR 5 HH TYR 5 -8.353 16.295 31.427 41 H LEU 6 H LEU 6 -5.689 18.554 23.608 42 HA LEU 6 HA LEU 6 -6.705 20.624 25.534 43 1HB LEU 6 1HB LEU 6 -4.309 20.545 24.152 44 2HB LEU 6 2HB LEU 6 -5.321 21.533 23.101 45 HG LEU 6 HG LEU 6 -4.725 22.006 26.036 46 1HD1 LEU 6 1HD1 LEU 6 -3.059 22.682 24.201 47 2HD1 LEU 6 2HD1 LEU 6 -4.280 23.839 23.671 48 3HD1 LEU 6 3HD1 LEU 6 -3.589 23.964 25.289 49 1HD2 LEU 6 1HD2 LEU 6 -7.049 22.700 24.502 50 2HD2 LEU 6 2HD2 LEU 6 -6.669 23.127 26.170 51 3HD2 LEU 6 3HD2 LEU 6 -6.141 24.171 24.852 52 H ASN 7 H ASN 7 -8.844 20.999 25.026 53 HA ASN 7 HA ASN 7 -10.272 20.232 22.762 54 1HB ASN 7 1HB ASN 7 -11.181 21.190 24.866 55 2HB ASN 7 2HB ASN 7 -10.574 22.776 24.391 56 2HD2 ASN 7 2HD2 ASN 7 -12.907 23.488 24.410 57 1HD2 ASN 7 1HD2 ASN 7 -13.889 23.134 23.073 58 H TYR 8 H TYR 8 -9.700 20.646 20.661 59 HA TYR 8 HA TYR 8 -8.045 22.736 19.720 60 1HB TYR 8 1HB TYR 8 -8.487 20.836 18.351 61 2HB TYR 8 2HB TYR 8 -10.232 21.042 18.498 62 HD1 TYR 8 HD1 TYR 8 -11.318 23.086 17.451 63 HD2 TYR 8 HD2 TYR 8 -7.264 21.927 16.635 64 HE1 TYR 8 HE1 TYR 8 -11.326 24.495 15.411 65 HE2 TYR 8 HE2 TYR 8 -7.271 23.338 14.594 66 HH TYR 8 HH TYR 8 -10.091 25.341 13.760 67 H GLU 9 H GLU 9 -11.447 22.727 20.548 68 HA GLU 9 HA GLU 9 -12.296 25.047 19.098 69 1HB GLU 9 1HB GLU 9 -13.345 23.154 20.854 70 2HB GLU 9 2HB GLU 9 -13.486 24.667 21.748 71 1HG GLU 9 1HG GLU 9 -14.438 24.271 18.895 72 2HG GLU 9 2HG GLU 9 -15.483 24.182 20.312 73 H THR 10 H THR 10 -10.893 24.659 22.358 74 HA THR 10 HA THR 10 -11.073 27.357 23.226 75 HB THR 10 HB THR 10 -8.892 25.306 23.741 76 HG1 THR 10 HG1 THR 10 -11.320 25.742 25.134 77 1HG2 THR 10 1HG2 THR 10 -9.871 27.746 25.232 78 2HG2 THR 10 2HG2 THR 10 -8.929 26.477 26.015 79 3HG2 THR 10 3HG2 THR 10 -8.233 27.395 24.679 80 H LEU 11 H LEU 11 -8.721 25.732 21.137 81 HA LEU 11 HA LEU 11 -6.760 27.830 21.053 82 1HB LEU 11 1HB LEU 11 -6.155 25.661 20.307 83 2HB LEU 11 2HB LEU 11 -7.580 25.525 19.279 84 HG LEU 11 HG LEU 11 -6.707 27.134 17.718 85 1HD1 LEU 11 1HD1 LEU 11 -5.730 28.615 19.518 86 2HD1 LEU 11 2HD1 LEU 11 -4.354 27.514 19.589 87 3HD1 LEU 11 3HD1 LEU 11 -4.692 28.408 18.108 88 1HD2 LEU 11 1HD2 LEU 11 -5.200 24.782 18.492 89 2HD2 LEU 11 2HD2 LEU 11 -5.510 25.418 16.878 90 3HD2 LEU 11 3HD2 LEU 11 -4.129 26.004 17.805 91 H ASP 12 H ASP 12 -9.555 27.069 18.955 92 HA ASP 12 HA ASP 12 -9.127 29.408 17.250 93 1HB ASP 12 1HB ASP 12 -10.102 27.423 16.316 94 2HB ASP 12 2HB ASP 12 -11.304 27.332 17.603 95 H ASP 13 H ASP 13 -11.478 28.485 19.783 96 HA ASP 13 HA ASP 13 -13.177 30.701 19.770 97 1HB ASP 13 1HB ASP 13 -13.638 28.895 21.227 98 2HB ASP 13 2HB ASP 13 -12.021 28.937 21.928 99 H GLN 14 H GLN 14 -10.185 30.396 21.733 100 HA GLN 14 HA GLN 14 -10.221 33.221 22.467 101 1HB GLN 14 1HB GLN 14 -9.130 30.875 23.424 102 2HB GLN 14 2HB GLN 14 -7.721 31.689 22.745 103 1HG GLN 14 1HG GLN 14 -7.663 32.809 24.722 104 2HG GLN 14 2HG GLN 14 -8.994 33.750 24.049 105 2HE2 GLN 14 2HE2 GLN 14 -8.138 31.950 26.746 106 1HE2 GLN 14 1HE2 GLN 14 -9.690 31.531 27.292 107 H GLY 15 H GLY 15 -9.320 31.599 19.646 108 1HA GLY 15 2HA GLY 15 -8.198 33.928 18.420 109 2HA GLY 15 1HA GLY 15 -8.122 32.298 17.751 110 H TRP 16 H TRP 16 -6.689 31.012 19.797 111 HA TRP 16 HA TRP 16 -4.224 32.532 20.336 112 1HB TRP 16 1HB TRP 16 -5.608 30.120 21.218 113 2HB TRP 16 2HB TRP 16 -3.880 29.841 21.006 114 HD1 TRP 16 HD1 TRP 16 -3.478 29.732 23.629 115 HE1 TRP 16 HE1 TRP 16 -3.328 31.577 25.423 116 HE3 TRP 16 HE3 TRP 16 -5.539 33.635 21.057 117 HZ2 TRP 16 HZ2 TRP 16 -3.993 34.340 25.727 118 HZ3 TRP 16 HZ3 TRP 16 -5.766 35.861 22.124 119 HH2 TRP 16 HH2 TRP 16 -4.997 36.218 24.453 120 H ASP 17 H ASP 17 -2.142 30.999 19.939 121 HA ASP 17 HA ASP 17 -2.031 30.591 17.004 122 1HB ASP 17 1HB ASP 17 -0.194 31.135 19.268 123 2HB ASP 17 2HB ASP 17 0.474 30.128 17.983 124 H MET 18 H MET 18 -0.402 28.627 16.477 125 HA MET 18 HA MET 18 -1.784 26.201 17.355 126 1HB MET 18 1HB MET 18 -0.175 27.129 15.189 127 2HB MET 18 2HB MET 18 0.625 25.713 15.872 128 1HG MET 18 1HG MET 18 -0.855 24.692 14.398 129 2HG MET 18 2HG MET 18 -1.835 24.724 15.864 130 1HE MET 18 1HE MET 18 -1.839 24.762 12.626 131 2HE MET 18 2HE MET 18 -3.572 24.609 12.941 132 3HE MET 18 3HE MET 18 -2.970 25.924 11.937 133 H ASP 19 H ASP 19 1.629 27.308 17.514 134 HA ASP 19 HA ASP 19 1.925 25.687 20.019 135 1HB ASP 19 1HB ASP 19 4.267 25.218 19.084 136 2HB ASP 19 2HB ASP 19 2.930 24.421 18.255 137 H ASP 20 H ASP 20 2.084 28.724 18.638 138 HA ASP 20 HA ASP 20 4.497 29.777 19.838 139 1HB ASP 20 1HB ASP 20 2.318 30.604 18.173 140 2HB ASP 20 2HB ASP 20 2.487 31.776 19.480 141 H ASP 21 H ASP 21 1.040 30.156 20.747 142 HA ASP 21 HA ASP 21 1.678 31.368 23.310 143 1HB ASP 21 1HB ASP 21 -0.618 30.697 21.653 144 2HB ASP 21 2HB ASP 21 -0.935 30.345 23.351 145 H ASP 22 H ASP 22 1.944 28.203 22.223 146 HA ASP 22 HA ASP 22 1.994 26.104 23.334 147 1HB ASP 22 1HB ASP 22 3.722 27.940 24.369 148 2HB ASP 22 2HB ASP 22 2.817 27.502 25.818 149 H LEU 23 H LEU 23 -0.599 26.889 23.317 150 HA LEU 23 HA LEU 23 -2.079 27.515 25.546 151 1HB LEU 23 2HB LEU 23 -2.611 25.150 23.719 152 2HB LEU 23 1HB LEU 23 -3.816 26.123 24.563 153 HG LEU 23 HG LEU 23 -2.312 28.002 23.161 154 1HD1 LEU 23 1HD1 LEU 23 -1.687 25.601 21.974 155 2HD1 LEU 23 2HD1 LEU 23 -3.061 26.138 21.008 156 3HD1 LEU 23 3HD1 LEU 23 -1.636 27.165 21.160 157 1HD2 LEU 23 1HD2 LEU 23 -4.924 26.625 22.472 158 2HD2 LEU 23 2HD2 LEU 23 -4.724 28.086 23.440 159 3HD2 LEU 23 3HD2 LEU 23 -4.362 28.114 21.714 160 H PHE 24 H PHE 24 -0.602 24.322 24.909 161 HA PHE 24 HA PHE 24 -1.641 22.868 27.089 162 1HB PHE 24 1HB PHE 24 0.951 22.873 25.550 163 2HB PHE 24 2HB PHE 24 0.708 21.733 26.873 164 HD1 PHE 24 HD1 PHE 24 -1.638 20.471 26.829 165 HD2 PHE 24 HD2 PHE 24 0.268 22.248 23.415 166 HE1 PHE 24 HE1 PHE 24 -2.966 19.011 25.327 167 HE2 PHE 24 HE2 PHE 24 -1.060 20.789 21.912 168 HZ PHE 24 HZ PHE 24 -2.678 19.170 22.869 169 H GLU 25 H GLU 25 0.582 25.523 27.075 170 HA GLU 25 HA GLU 25 1.429 24.939 29.884 171 1HB GLU 25 1HB GLU 25 2.866 25.609 27.685 172 2HB GLU 25 2HB GLU 25 2.536 27.218 28.329 173 1HG GLU 25 2HG GLU 25 4.222 26.893 29.791 174 2HG GLU 25 1HG GLU 25 3.235 25.652 30.561 175 H LYS 26 H LYS 26 0.253 27.657 27.858 176 HA LYS 26 HA LYS 26 -0.250 29.423 30.081 177 1HB LYS 26 1HB LYS 26 -0.106 29.607 27.364 178 2HB LYS 26 2HB LYS 26 -1.853 29.677 27.599 179 1HG LYS 26 2HG LYS 26 -1.570 31.868 28.076 180 2HG LYS 26 1HG LYS 26 -0.843 31.341 29.594 181 1HD LYS 26 1HD LYS 26 1.178 31.055 27.652 182 2HD LYS 26 2HD LYS 26 0.416 32.609 27.313 183 1HE LYS 26 1HE LYS 26 0.675 33.212 29.737 184 2HE LYS 26 2HE LYS 26 1.579 31.703 29.969 185 1HZ LYS 26 1HZ LYS 26 2.237 33.737 27.902 186 2HZ LYS 26 2HZ LYS 26 3.002 33.660 29.417 187 3HZ LYS 26 3HZ LYS 26 3.154 32.371 28.321 188 H ALA 27 H ALA 27 -2.166 26.955 28.451 189 HA ALA 27 HA ALA 27 -4.757 27.661 29.401 190 1HB ALA 27 1HB ALA 27 -4.059 25.954 27.653 191 2HB ALA 27 2HB ALA 27 -3.623 24.881 28.982 192 3HB ALA 27 3HB ALA 27 -5.298 25.391 28.776 193 H ALA 28 H ALA 28 -2.116 25.840 30.917 194 HA ALA 28 HA ALA 28 -3.637 24.913 33.197 195 1HB ALA 28 1HB ALA 28 -1.131 24.531 32.057 196 2HB ALA 28 3HB ALA 28 -0.762 25.360 33.570 197 3HB ALA 28 2HB ALA 28 -1.668 23.847 33.592 198 H ASP 29 H ASP 29 -2.016 27.909 32.389 199 HA ASP 29 HA ASP 29 -1.878 28.912 35.133 200 1HB ASP 29 1HB ASP 29 -0.293 29.643 33.452 201 2HB ASP 29 2HB ASP 29 -1.596 30.144 32.374 202 H ALA 30 H ALA 30 -4.284 28.771 32.638 203 HA ALA 30 HA ALA 30 -5.881 30.984 33.797 204 1HB ALA 30 1HB ALA 30 -6.795 29.151 31.609 205 2HB ALA 30 3HB ALA 30 -5.457 30.251 31.280 206 3HB ALA 30 2HB ALA 30 -7.026 30.892 31.771 207 H GLY 31 H GLY 31 -6.605 27.617 32.849 208 1HA GLY 31 2HA GLY 31 -8.246 27.380 35.337 209 2HA GLY 31 1HA GLY 31 -7.435 26.017 34.564 210 H LEU 32 H LEU 32 -8.190 25.526 32.286 211 HA LEU 32 HA LEU 32 -10.900 26.478 31.590 212 1HB LEU 32 1HB LEU 32 -8.702 24.853 30.347 213 2HB LEU 32 2HB LEU 32 -10.329 24.744 29.673 214 HG LEU 32 HG LEU 32 -9.454 27.499 30.233 215 1HD1 LEU 32 1HD1 LEU 32 -7.682 25.670 28.819 216 2HD1 LEU 32 2HD1 LEU 32 -8.214 26.990 27.778 217 3HD1 LEU 32 3HD1 LEU 32 -7.402 27.342 29.303 218 1HD2 LEU 32 1HD2 LEU 32 -11.438 26.362 28.809 219 2HD2 LEU 32 2HD2 LEU 32 -10.779 27.949 28.410 220 3HD2 LEU 32 3HD2 LEU 32 -10.234 26.521 27.530 221 H ASP 33 H ASP 33 -12.370 24.548 30.726 222 HA ASP 33 HA ASP 33 -13.112 22.937 32.989 223 1HB ASP 33 1HB ASP 33 -14.103 23.694 30.449 224 2HB ASP 33 2HB ASP 33 -14.071 21.931 30.452 225 H GLY 34 H GLY 34 -12.443 20.890 33.555 226 1HA GLY 34 2HA GLY 34 -11.312 18.836 33.451 227 2HA GLY 34 1HA GLY 34 -10.124 19.695 32.471 228 H GLU 35 H GLU 35 -13.399 19.627 31.344 229 HA GLU 35 HA GLU 35 -13.114 17.208 29.722 230 1HB GLU 35 1HB GLU 35 -15.144 18.963 30.644 231 2HB GLU 35 2HB GLU 35 -15.205 19.011 28.882 232 1HG GLU 35 1HG GLU 35 -15.057 16.410 30.420 233 2HG GLU 35 2HG GLU 35 -16.593 17.175 30.011 234 H ASP 36 H ASP 36 -11.898 20.338 29.435 235 HA ASP 36 HA ASP 36 -11.828 20.148 26.439 236 1HB ASP 36 1HB ASP 36 -11.704 22.519 28.330 237 2HB ASP 36 2HB ASP 36 -11.563 22.633 26.576 238 H TYR 37 H TYR 37 -9.950 21.147 29.314 239 HA TYR 37 HA TYR 37 -7.458 20.440 27.804 240 1HB TYR 37 1HB TYR 37 -7.596 22.817 27.757 241 2HB TYR 37 2HB TYR 37 -8.174 22.892 29.421 242 HD1 TYR 37 HD1 TYR 37 -5.296 21.146 27.754 243 HD2 TYR 37 HD2 TYR 37 -6.586 23.874 30.811 244 HE1 TYR 37 HE1 TYR 37 -2.960 21.345 28.561 245 HE2 TYR 37 HE2 TYR 37 -4.249 24.073 31.619 246 HH TYR 37 HH TYR 37 -2.118 22.486 31.484 247 H GLY 38 H GLY 38 -6.507 18.779 28.922 248 1HA GLY 38 2HA GLY 38 -7.173 17.805 31.441 249 2HA GLY 38 1HA GLY 38 -5.935 19.021 31.756 250 H THR 39 H THR 39 -4.629 17.139 32.509 251 HA THR 39 HA THR 39 -2.944 16.118 30.323 252 HB THR 39 HB THR 39 -2.624 15.271 33.164 253 HG1 THR 39 HG1 THR 39 -2.415 17.230 33.909 254 1HG2 THR 39 1HG2 THR 39 -0.928 16.106 30.846 255 2HG2 THR 39 2HG2 THR 39 -0.277 16.288 32.474 256 3HG2 THR 39 3HG2 THR 39 -0.775 14.698 31.897 257 H MET 40 H MET 40 -3.373 14.183 29.345 258 HA MET 40 HA MET 40 -5.319 12.313 30.518 259 1HB MET 40 1HB MET 40 -4.866 13.098 28.030 260 2HB MET 40 2HB MET 40 -3.676 11.799 28.060 261 1HG MET 40 1HG MET 40 -5.467 10.236 28.832 262 2HG MET 40 2HG MET 40 -6.639 11.541 28.651 263 1HE MET 40 1HE MET 40 -7.924 11.730 27.235 264 2HE MET 40 2HE MET 40 -7.689 11.896 25.490 265 3HE MET 40 3HE MET 40 -8.183 10.349 26.172 266 H GLU 41 H GLU 41 -4.463 11.055 32.174 267 HA GLU 41 HA GLU 41 -1.678 10.067 31.991 268 1HB GLU 41 1HB GLU 41 -2.522 10.953 34.103 269 2HB GLU 41 2HB GLU 41 -3.884 9.834 34.063 270 1HG GLU 41 1HG GLU 41 -2.464 7.941 34.379 271 2HG GLU 41 2HG GLU 41 -1.013 8.885 34.043 272 H VAL 42 H VAL 42 -1.404 8.242 30.753 273 HA VAL 42 HA VAL 42 -3.234 5.937 31.234 274 HB VAL 42 HB VAL 42 -2.514 7.104 28.525 275 1HG1 VAL 42 1HG1 VAL 42 -3.648 4.528 29.415 276 2HG1 VAL 42 2HG1 VAL 42 -4.563 5.330 28.139 277 3HG1 VAL 42 3HG1 VAL 42 -2.859 4.945 27.893 278 1HG2 VAL 42 1HG2 VAL 42 -5.151 7.000 30.022 279 2HG2 VAL 42 2HG2 VAL 42 -4.182 8.448 29.746 280 3HG2 VAL 42 3HG2 VAL 42 -4.929 7.614 28.384 281 H ALA 43 H ALA 43 -1.985 4.134 31.537 282 HA ALA 43 HA ALA 43 0.844 4.091 31.400 283 1HB ALA 43 1HB ALA 43 -1.071 2.523 32.422 284 2HB ALA 43 3HB ALA 43 0.551 1.904 32.107 285 3HB ALA 43 2HB ALA 43 -0.749 1.600 30.954 286 H GLU 44 H GLU 44 2.245 2.974 29.849 287 HA GLU 44 HA GLU 44 1.554 3.492 27.079 288 1HB GLU 44 1HB GLU 44 3.821 1.944 28.377 289 2HB GLU 44 2HB GLU 44 3.802 2.509 26.706 290 1HG GLU 44 1HG GLU 44 4.620 4.488 27.400 291 2HG GLU 44 2HG GLU 44 3.149 4.739 28.340 292 H GLY 45 H GLY 45 0.149 2.180 25.996 293 1HA GLY 45 2HA GLY 45 0.340 -0.767 26.480 294 2HA GLY 45 1HA GLY 45 0.008 -0.072 24.892 295 H GLU 46 H GLU 46 -1.456 1.671 27.413 296 HA GLU 46 HA GLU 46 -3.960 0.081 27.399 297 1HB GLU 46 1HB GLU 46 -2.617 1.535 29.284 298 2HB GLU 46 2HB GLU 46 -3.806 2.718 28.741 299 1HG GLU 46 1HG GLU 46 -5.544 0.836 29.019 300 2HG GLU 46 2HG GLU 46 -4.296 -0.017 29.927 301 H TYR 47 H TYR 47 -5.265 0.446 25.635 302 HA TYR 47 HA TYR 47 -5.225 2.441 23.737 303 1HB TYR 47 2HB TYR 47 -7.655 1.172 25.047 304 2HB TYR 47 1HB TYR 47 -7.634 1.914 23.448 305 HD1 TYR 47 HD1 TYR 47 -5.036 1.029 22.382 306 HD2 TYR 47 HD2 TYR 47 -7.965 -1.135 24.660 307 HE1 TYR 47 HE1 TYR 47 -4.224 -1.100 21.404 308 HE2 TYR 47 HE2 TYR 47 -7.153 -3.264 23.683 309 HH TYR 47 HH TYR 47 -5.641 -4.226 22.372 310 H ILE 48 H ILE 48 -5.373 4.636 23.866 311 HA ILE 48 HA ILE 48 -5.946 6.083 26.245 312 HB ILE 48 HB ILE 48 -5.921 6.764 23.302 313 1HG1 ILE 48 1HG1 ILE 48 -3.808 6.065 24.524 314 2HG1 ILE 48 2HG1 ILE 48 -3.742 7.667 23.790 315 1HG2 ILE 48 1HG2 ILE 48 -6.701 8.402 25.651 316 2HG2 ILE 48 2HG2 ILE 48 -5.563 9.155 24.534 317 3HG2 ILE 48 3HG2 ILE 48 -7.131 8.597 23.951 318 1HD1 ILE 48 1HD1 ILE 48 -4.848 7.931 26.417 319 2HD1 ILE 48 2HD1 ILE 48 -3.371 6.974 26.533 320 3HD1 ILE 48 3HD1 ILE 48 -3.326 8.579 25.804 321 H LEU 49 H LEU 49 -8.022 5.856 23.295 322 HA LEU 49 HA LEU 49 -10.293 7.172 24.144 323 1HB LEU 49 2HB LEU 49 -11.498 5.692 22.642 324 2HB LEU 49 1HB LEU 49 -9.883 5.943 21.982 325 HG LEU 49 HG LEU 49 -9.272 3.801 23.368 326 1HD1 LEU 49 1HD1 LEU 49 -12.112 4.033 23.793 327 2HD1 LEU 49 2HD1 LEU 49 -11.774 2.550 22.903 328 3HD1 LEU 49 3HD1 LEU 49 -10.994 2.842 24.457 329 1HD2 LEU 49 1HD2 LEU 49 -10.043 4.282 20.712 330 2HD2 LEU 49 2HD2 LEU 49 -9.175 2.870 21.317 331 3HD2 LEU 49 3HD2 LEU 49 -10.934 2.835 21.190 332 H GLU 50 H GLU 50 -9.083 4.109 25.366 333 HA GLU 50 HA GLU 50 -11.539 3.412 26.800 334 1HB GLU 50 1HB GLU 50 -9.501 1.996 25.850 335 2HB GLU 50 2HB GLU 50 -8.820 2.323 27.444 336 1HG GLU 50 1HG GLU 50 -10.479 1.121 28.547 337 2HG GLU 50 2HG GLU 50 -11.653 1.358 27.252 338 H ALA 51 H ALA 51 -8.296 4.602 27.753 339 HA ALA 51 HA ALA 51 -8.831 4.827 30.547 340 1HB ALA 51 1HB ALA 51 -6.996 6.540 28.856 341 2HB ALA 51 2HB ALA 51 -6.786 6.103 30.552 342 3HB ALA 51 3HB ALA 51 -6.621 4.874 29.298 343 H ALA 52 H ALA 52 -9.038 7.244 27.949 344 HA ALA 52 HA ALA 52 -9.958 9.385 29.640 345 1HB ALA 52 1HB ALA 52 -9.327 8.851 26.883 346 2HB ALA 52 3HB ALA 52 -10.846 9.742 26.972 347 3HB ALA 52 2HB ALA 52 -9.388 10.406 27.711 348 H GLU 53 H GLU 53 -11.626 7.011 27.602 349 HA GLU 53 HA GLU 53 -14.274 8.024 27.867 350 1HB GLU 53 1HB GLU 53 -13.799 6.348 26.241 351 2HB GLU 53 2HB GLU 53 -13.063 5.288 27.443 352 1HG GLU 53 1HG GLU 53 -15.418 4.642 26.709 353 2HG GLU 53 2HG GLU 53 -15.187 4.810 28.449 354 H ALA 54 H ALA 54 -12.346 5.926 29.952 355 HA ALA 54 HA ALA 54 -14.544 5.372 31.804 356 1HB ALA 54 1HB ALA 54 -11.984 4.372 31.176 357 2HB ALA 54 3HB ALA 54 -11.861 4.964 32.833 358 3HB ALA 54 2HB ALA 54 -13.080 3.760 32.415 359 H GLN 55 H GLN 55 -12.810 8.130 31.191 360 HA GLN 55 HA GLN 55 -12.683 8.968 34.060 361 1HB GLN 55 1HB GLN 55 -11.167 9.463 31.585 362 2HB GLN 55 2HB GLN 55 -11.499 10.928 32.511 363 1HG GLN 55 1HG GLN 55 -10.361 8.413 33.755 364 2HG GLN 55 2HG GLN 55 -9.352 9.721 33.137 365 2HE2 GLN 55 2HE2 GLN 55 -10.008 8.713 36.013 366 1HE2 GLN 55 1HE2 GLN 55 -10.428 10.135 36.840 367 H GLY 56 H GLY 56 -14.113 9.730 30.919 368 1HA GLY 56 2HA GLY 56 -15.698 11.893 32.245 369 2HA GLY 56 1HA GLY 56 -16.448 10.725 31.160 370 H TYR 57 H TYR 57 -13.917 10.832 29.445 371 HA TYR 57 HA TYR 57 -14.093 13.587 28.336 372 1HB TYR 57 1HB TYR 57 -12.322 11.173 27.865 373 2HB TYR 57 2HB TYR 57 -12.189 12.654 26.918 374 HD1 TYR 57 HD1 TYR 57 -12.727 14.718 28.986 375 HD2 TYR 57 HD2 TYR 57 -10.362 11.139 29.164 376 HE1 TYR 57 HE1 TYR 57 -11.327 15.732 30.767 377 HE2 TYR 57 HE2 TYR 57 -8.962 12.148 30.942 378 HH TYR 57 HH TYR 57 -8.546 13.968 32.142 379 H ASP 58 H ASP 58 -15.460 13.960 26.626 380 HA ASP 58 HA ASP 58 -16.601 11.644 25.154 381 1HB ASP 58 1HB ASP 58 -17.659 13.935 26.189 382 2HB ASP 58 2HB ASP 58 -17.378 14.435 24.520 383 H TRP 59 H TRP 59 -16.562 11.644 22.780 384 HA TRP 59 HA TRP 59 -14.470 13.409 21.569 385 1HB TRP 59 1HB TRP 59 -14.741 10.393 21.360 386 2HB TRP 59 2HB TRP 59 -13.597 11.365 20.432 387 HD1 TRP 59 HD1 TRP 59 -14.262 10.018 23.914 388 HE1 TRP 59 HE1 TRP 59 -12.197 10.446 25.394 389 HE3 TRP 59 HE3 TRP 59 -11.521 12.982 20.784 390 HZ2 TRP 59 HZ2 TRP 59 -9.712 11.848 25.270 391 HZ3 TRP 59 HZ3 TRP 59 -9.309 13.848 21.492 392 HH2 TRP 59 HH2 TRP 59 -8.402 13.285 23.730 393 HA PRO 60 HA PRO 60 -17.252 13.803 18.217 394 1HB PRO 60 1HB PRO 60 -15.529 13.981 16.098 395 2HB PRO 60 2HB PRO 60 -15.742 15.280 17.286 396 1HG PRO 60 2HG PRO 60 -13.577 13.248 17.059 397 2HG PRO 60 1HG PRO 60 -13.479 14.951 17.528 398 1HD PRO 60 1HD PRO 60 -13.425 12.863 19.303 399 2HD PRO 60 2HD PRO 60 -13.971 14.503 19.711 400 H PHE 61 H PHE 61 -17.685 12.823 15.908 401 HA PHE 61 HA PHE 61 -18.052 10.919 14.554 402 1HB PHE 61 1HB PHE 61 -15.439 10.914 15.164 403 2HB PHE 61 2HB PHE 61 -15.907 9.442 16.015 404 HD1 PHE 61 HD1 PHE 61 -16.178 11.152 12.698 405 HD2 PHE 61 HD2 PHE 61 -16.216 7.428 14.838 406 HE1 PHE 61 HE1 PHE 61 -16.218 9.916 10.549 407 HE2 PHE 61 HE2 PHE 61 -16.255 6.192 12.689 408 HZ PHE 61 HZ PHE 61 -16.255 7.437 10.544 409 H SER 62 H SER 62 -18.822 8.622 14.775 410 HA SER 62 HA SER 62 -20.481 8.301 17.138 411 1HB SER 62 2HB SER 62 -19.859 6.185 15.079 412 2HB SER 62 1HB SER 62 -21.386 6.503 15.902 413 HG SER 62 HG SER 62 -20.235 7.766 13.712 414 H CYS 63 H CYS 63 -17.994 8.425 18.233 415 HA CYS 63 HA CYS 63 -16.465 6.035 18.412 416 1HB CYS 63 1HB CYS 63 -16.328 8.574 19.366 417 2HB CYS 63 2HB CYS 63 -16.808 7.724 20.835 418 H ARG 64 H ARG 64 -16.377 5.197 21.014 419 HA ARG 64 HA ARG 64 -17.442 3.778 22.576 420 1HB ARG 64 1HB ARG 64 -18.904 6.082 22.316 421 2HB ARG 64 2HB ARG 64 -20.118 4.861 21.933 422 1HG ARG 64 1HG ARG 64 -19.163 3.653 24.065 423 2HG ARG 64 2HG ARG 64 -18.572 5.263 24.478 424 1HD ARG 64 1HD ARG 64 -20.729 6.139 24.702 425 2HD ARG 64 2HD ARG 64 -21.439 4.927 23.618 426 HE ARG 64 HE ARG 64 -20.285 3.597 25.879 427 1HH1 ARG 64 1HH1 ARG 64 -23.148 4.754 24.511 428 2HH1 ARG 64 2HH1 ARG 64 -24.097 4.591 25.950 429 1HH2 ARG 64 1HH2 ARG 64 -21.394 3.771 27.960 430 2HH2 ARG 64 2HH2 ARG 64 -23.105 4.035 27.902 431 H ALA 65 H ALA 65 -18.552 1.766 22.556 432 HA ALA 65 HA ALA 65 -19.295 -0.210 21.476 433 1HB ALA 65 1HB ALA 65 -21.431 0.652 21.786 434 2HB ALA 65 2HB ALA 65 -21.409 0.510 20.027 435 3HB ALA 65 3HB ALA 65 -21.112 2.072 20.790 436 H GLY 66 H GLY 66 -17.415 -0.589 20.116 437 1HA GLY 66 2HA GLY 66 -17.915 0.082 17.246 438 2HA GLY 66 1HA GLY 66 -17.047 -1.352 17.796 439 H ALA 67 H ALA 67 -15.995 0.576 15.937 440 HA ALA 67 HA ALA 67 -13.827 1.853 17.572 441 1HB ALA 67 1HB ALA 67 -12.501 1.133 15.363 442 2HB ALA 67 3HB ALA 67 -13.783 -0.076 15.285 443 3HB ALA 67 2HB ALA 67 -12.732 0.005 16.699 444 H CYS 68 H CYS 68 -12.711 3.626 16.347 445 HA CYS 68 HA CYS 68 -14.677 5.208 14.799 446 1HB CYS 68 1HB CYS 68 -12.296 5.616 16.469 447 2HB CYS 68 2HB CYS 68 -12.323 6.651 15.041 448 H ALA 69 H ALA 69 -14.589 5.329 12.590 449 HA ALA 69 HA ALA 69 -12.473 3.944 11.111 450 1HB ALA 69 1HB ALA 69 -14.691 3.768 10.273 451 2HB ALA 69 3HB ALA 69 -14.980 5.499 10.453 452 3HB ALA 69 2HB ALA 69 -13.907 4.911 9.182 453 H ASN 70 H ASN 70 -13.041 7.156 12.240 454 HA ASN 70 HA ASN 70 -10.542 8.099 11.017 455 1HB ASN 70 1HB ASN 70 -12.788 8.269 9.488 456 2HB ASN 70 2HB ASN 70 -12.880 9.805 10.352 457 2HD2 ASN 70 2HD2 ASN 70 -10.762 7.859 8.223 458 1HD2 ASN 70 1HD2 ASN 70 -9.836 9.172 7.676 459 H CYS 71 H CYS 71 -10.706 7.990 13.623 460 HA CYS 71 HA CYS 71 -12.096 9.765 15.234 461 1HB CYS 71 1HB CYS 71 -10.449 8.136 16.020 462 2HB CYS 71 2HB CYS 71 -9.147 9.047 15.256 463 H ALA 72 H ALA 72 -11.366 11.917 16.139 464 HA ALA 72 HA ALA 72 -10.035 13.591 14.032 465 1HB ALA 72 1HB ALA 72 -12.102 14.668 15.916 466 2HB ALA 72 3HB ALA 72 -12.634 13.665 14.567 467 3HB ALA 72 2HB ALA 72 -11.742 15.155 14.260 468 H SER 73 H SER 73 -7.993 13.483 15.155 469 HA SER 73 HA SER 73 -7.876 15.237 17.568 470 1HB SER 73 2HB SER 73 -6.731 13.610 18.822 471 2HB SER 73 1HB SER 73 -7.916 12.633 17.954 472 HG SER 73 HG SER 73 -6.056 12.661 16.289 473 H ILE 74 H ILE 74 -5.439 15.810 17.965 474 HA ILE 74 HA ILE 74 -3.822 15.682 15.467 475 HB ILE 74 HB ILE 74 -4.647 18.217 16.923 476 1HG1 ILE 74 1HG1 ILE 74 -6.429 17.189 15.506 477 2HG1 ILE 74 2HG1 ILE 74 -5.879 18.741 14.881 478 1HG2 ILE 74 1HG2 ILE 74 -2.292 18.055 15.862 479 2HG2 ILE 74 2HG2 ILE 74 -3.139 18.022 14.315 480 3HG2 ILE 74 3HG2 ILE 74 -3.308 19.416 15.383 481 1HD1 ILE 74 1HD1 ILE 74 -4.760 16.090 13.930 482 2HD1 ILE 74 2HD1 ILE 74 -6.107 16.908 13.140 483 3HD1 ILE 74 3HD1 ILE 74 -4.522 17.679 13.205 484 H VAL 75 H VAL 75 -2.383 14.334 16.788 485 HA VAL 75 HA VAL 75 -1.317 14.972 19.322 486 HB VAL 75 HB VAL 75 -0.993 12.879 17.979 487 1HG1 VAL 75 1HG1 VAL 75 -0.460 14.167 15.849 488 2HG1 VAL 75 2HG1 VAL 75 1.145 14.451 16.525 489 3HG1 VAL 75 3HG1 VAL 75 0.607 12.805 16.196 490 1HG2 VAL 75 1HG2 VAL 75 0.568 13.801 19.902 491 2HG2 VAL 75 2HG2 VAL 75 1.039 12.369 18.989 492 3HG2 VAL 75 3HG2 VAL 75 1.744 13.937 18.596 493 H LYS 76 H LYS 76 -0.311 16.867 19.928 494 HA LYS 76 HA LYS 76 0.943 18.580 17.871 495 1HB LYS 76 1HB LYS 76 -0.576 19.401 19.691 496 2HB LYS 76 2HB LYS 76 0.646 18.923 20.871 497 1HG LYS 76 1HG LYS 76 1.868 20.779 20.471 498 2HG LYS 76 2HG LYS 76 1.802 20.519 18.727 499 1HD LYS 76 1HD LYS 76 -0.447 21.722 20.370 500 2HD LYS 76 2HD LYS 76 0.714 22.660 19.431 501 1HE LYS 76 1HE LYS 76 -0.013 21.418 17.374 502 2HE LYS 76 2HE LYS 76 -1.261 20.617 18.348 503 1HZ LYS 76 1HZ LYS 76 -1.869 22.960 19.090 504 2HZ LYS 76 2HZ LYS 76 -0.939 23.509 17.778 505 3HZ LYS 76 3HZ LYS 76 -2.300 22.529 17.504 506 H GLU 77 H GLU 77 1.933 16.124 20.034 507 HA GLU 77 HA GLU 77 4.700 16.319 19.281 508 1HB GLU 77 1HB GLU 77 3.856 18.193 21.178 509 2HB GLU 77 2HB GLU 77 4.658 16.943 22.130 510 1HG GLU 77 1HG GLU 77 6.281 17.325 19.856 511 2HG GLU 77 2HG GLU 77 5.832 18.943 20.396 512 H GLY 78 H GLY 78 5.821 14.470 19.979 513 1HA GLY 78 2HA GLY 78 4.399 12.703 21.923 514 2HA GLY 78 1HA GLY 78 6.134 12.644 21.610 515 H GLU 79 H GLU 79 5.547 10.275 21.239 516 HA GLU 79 HA GLU 79 4.797 9.900 18.359 517 1HB GLU 79 1HB GLU 79 7.120 9.335 19.603 518 2HB GLU 79 2HB GLU 79 6.259 7.834 19.940 519 1HG GLU 79 1HG GLU 79 6.525 7.135 17.815 520 2HG GLU 79 2HG GLU 79 5.861 8.642 17.184 521 H ILE 80 H ILE 80 2.932 8.765 17.993 522 HA ILE 80 HA ILE 80 1.704 7.287 20.284 523 HB ILE 80 HB ILE 80 0.590 8.392 17.685 524 1HG1 ILE 80 1HG1 ILE 80 0.032 9.343 20.497 525 2HG1 ILE 80 2HG1 ILE 80 1.378 9.987 19.556 526 1HG2 ILE 80 1HG2 ILE 80 -0.578 6.757 19.904 527 2HG2 ILE 80 2HG2 ILE 80 -1.584 8.005 19.167 528 3HG2 ILE 80 3HG2 ILE 80 -0.921 6.705 18.175 529 1HD1 ILE 80 1HD1 ILE 80 -1.322 9.870 18.267 530 2HD1 ILE 80 2HD1 ILE 80 -1.022 11.129 19.465 531 3HD1 ILE 80 3HD1 ILE 80 -0.013 11.027 18.023 532 H ASP 81 H ASP 81 0.639 5.210 19.752 533 HA ASP 81 HA ASP 81 1.827 3.841 17.362 534 1HB ASP 81 1HB ASP 81 2.972 3.379 19.564 535 2HB ASP 81 2HB ASP 81 1.453 2.699 20.148 536 H MET 82 H MET 82 0.338 2.646 16.202 537 HA MET 82 HA MET 82 -2.227 1.871 17.511 538 1HB MET 82 1HB MET 82 -2.343 4.147 16.388 539 2HB MET 82 2HB MET 82 -2.038 3.324 14.858 540 1HG MET 82 1HG MET 82 -4.151 2.030 16.408 541 2HG MET 82 2HG MET 82 -4.534 3.711 16.034 542 1HE MET 82 1HE MET 82 -3.541 4.652 14.019 543 2HE MET 82 2HE MET 82 -3.240 3.844 12.484 544 3HE MET 82 3HE MET 82 -4.867 4.416 12.883 545 H ASP 83 H ASP 83 -3.058 -0.060 16.673 546 HA ASP 83 HA ASP 83 -1.350 -1.831 15.225 547 1HB ASP 83 1HB ASP 83 -4.144 -1.702 16.214 548 2HB ASP 83 2HB ASP 83 -3.859 -2.853 14.908 549 H MET 84 H MET 84 -1.911 -2.802 13.053 550 HA MET 84 HA MET 84 -2.126 -0.780 11.014 551 1HB MET 84 1HB MET 84 -1.463 -3.527 11.304 552 2HB MET 84 2HB MET 84 -2.728 -3.439 10.079 553 1HG MET 84 1HG MET 84 -1.182 -1.346 9.313 554 2HG MET 84 2HG MET 84 0.049 -2.398 10.010 555 1HE MET 84 1HE MET 84 0.178 -1.379 7.543 556 2HE MET 84 2HE MET 84 0.699 -2.723 6.530 557 3HE MET 84 3HE MET 84 -0.846 -1.919 6.215 558 H GLN 85 H GLN 85 -3.907 -0.251 9.687 559 HA GLN 85 HA GLN 85 -6.402 -1.708 9.679 560 1HB GLN 85 1HB GLN 85 -6.558 -0.919 11.953 561 2HB GLN 85 2HB GLN 85 -6.085 0.712 11.477 562 1HG GLN 85 1HG GLN 85 -8.171 0.731 9.996 563 2HG GLN 85 2HG GLN 85 -8.667 -0.733 10.845 564 2HE2 GLN 85 2HE2 GLN 85 -10.367 1.376 11.207 565 1HE2 GLN 85 1HE2 GLN 85 -10.160 2.084 12.736 566 H GLN 86 H GLN 86 -7.689 -0.940 7.988 567 HA GLN 86 HA GLN 86 -8.091 0.256 5.979 568 1HB GLN 86 1HB GLN 86 -8.627 1.690 8.262 569 2HB GLN 86 2HB GLN 86 -7.586 2.806 7.378 570 1HG GLN 86 1HG GLN 86 -9.060 2.368 5.344 571 2HG GLN 86 2HG GLN 86 -10.177 1.555 6.440 572 2HE2 GLN 86 2HE2 GLN 86 -11.608 3.477 5.633 573 1HE2 GLN 86 1HE2 GLN 86 -11.517 4.918 6.526 574 H ILE 87 H ILE 87 -7.135 2.591 4.941 575 HA ILE 87 HA ILE 87 -4.476 1.904 4.056 576 HB ILE 87 HB ILE 87 -6.357 4.249 3.779 577 1HG1 ILE 87 1HG1 ILE 87 -5.271 2.832 1.432 578 2HG1 ILE 87 2HG1 ILE 87 -6.208 1.811 2.524 579 1HG2 ILE 87 1HG2 ILE 87 -3.455 4.101 3.119 580 2HG2 ILE 87 2HG2 ILE 87 -4.514 4.788 1.887 581 3HG2 ILE 87 3HG2 ILE 87 -4.453 5.506 3.497 582 1HD1 ILE 87 1HD1 ILE 87 -7.392 4.465 1.956 583 2HD1 ILE 87 2HD1 ILE 87 -7.320 3.365 0.579 584 3HD1 ILE 87 3HD1 ILE 87 -8.166 2.884 2.049 585 H LEU 88 H LEU 88 -5.203 5.151 5.260 586 HA LEU 88 HA LEU 88 -4.087 6.488 6.865 587 1HB LEU 88 1HB LEU 88 -4.510 4.033 7.975 588 2HB LEU 88 2HB LEU 88 -2.752 4.132 8.071 589 HG LEU 88 HG LEU 88 -3.327 6.597 8.944 590 1HD1 LEU 88 1HD1 LEU 88 -5.735 4.904 9.678 591 2HD1 LEU 88 2HD1 LEU 88 -5.340 6.452 10.427 592 3HD1 LEU 88 3HD1 LEU 88 -5.743 6.380 8.711 593 1HD2 LEU 88 1HD2 LEU 88 -3.364 4.002 10.502 594 2HD2 LEU 88 2HD2 LEU 88 -1.999 5.088 10.246 595 3HD2 LEU 88 3HD2 LEU 88 -3.334 5.581 11.286 596 H SER 89 H SER 89 -1.792 7.080 7.529 597 HA SER 89 HA SER 89 0.461 5.795 6.211 598 1HB SER 89 1HB SER 89 -1.191 7.587 4.729 599 2HB SER 89 2HB SER 89 0.343 8.406 5.023 600 HG SER 89 HG SER 89 -0.147 5.958 3.724 601 H ASP 90 H ASP 90 2.421 6.629 7.038 602 HA ASP 90 HA ASP 90 2.474 7.994 9.491 603 1HB ASP 90 1HB ASP 90 4.296 6.675 8.365 604 2HB ASP 90 2HB ASP 90 4.570 8.053 7.299 605 H GLU 91 H GLU 91 2.738 9.330 6.207 606 HA GLU 91 HA GLU 91 3.342 12.018 6.813 607 1HB GLU 91 1HB GLU 91 1.466 10.924 4.691 608 2HB GLU 91 2HB GLU 91 2.343 12.452 4.617 609 1HG GLU 91 1HG GLU 91 4.293 10.499 5.171 610 2HG GLU 91 2HG GLU 91 3.258 9.788 3.931 611 H GLU 92 H GLU 92 0.418 10.209 7.332 612 HA GLU 92 HA GLU 92 -1.415 12.450 7.504 613 1HB GLU 92 1HB GLU 92 -1.870 9.953 7.134 614 2HB GLU 92 2HB GLU 92 -1.611 9.754 8.868 615 1HG GLU 92 1HG GLU 92 -3.352 11.945 8.639 616 2HG GLU 92 2HG GLU 92 -3.946 10.765 7.470 617 H VAL 93 H VAL 93 0.366 10.529 9.941 618 HA VAL 93 HA VAL 93 -0.595 12.160 12.168 619 HB VAL 93 HB VAL 93 1.727 10.213 11.995 620 1HG1 VAL 93 1HG1 VAL 93 0.138 11.470 14.210 621 2HG1 VAL 93 2HG1 VAL 93 0.793 9.848 14.436 622 3HG1 VAL 93 3HG1 VAL 93 1.877 11.198 14.100 623 1HG2 VAL 93 1HG2 VAL 93 -0.809 9.587 11.266 624 2HG2 VAL 93 2HG2 VAL 93 0.271 8.448 12.069 625 3HG2 VAL 93 3HG2 VAL 93 -0.924 9.341 13.008 626 H GLU 94 H GLU 94 2.034 12.303 9.903 627 HA GLU 94 HA GLU 94 3.705 14.065 11.573 628 1HB GLU 94 1HB GLU 94 3.853 12.530 9.079 629 2HB GLU 94 2HB GLU 94 4.622 14.112 8.946 630 1HG GLU 94 1HG GLU 94 5.159 12.359 11.336 631 2HG GLU 94 2HG GLU 94 6.039 12.103 9.828 632 H GLU 95 H GLU 95 1.563 14.338 8.737 633 HA GLU 95 HA GLU 95 1.981 17.280 8.663 634 1HB GLU 95 1HB GLU 95 2.053 15.932 6.596 635 2HB GLU 95 2HB GLU 95 0.417 15.356 6.911 636 1HG GLU 95 1HG GLU 95 -0.025 18.010 7.068 637 2HG GLU 95 2HG GLU 95 1.338 18.019 5.950 638 H LYS 96 H LYS 96 -0.603 14.886 9.208 639 HA LYS 96 HA LYS 96 -2.513 17.073 9.865 640 1HB LYS 96 1HB LYS 96 -2.651 14.601 8.570 641 2HB LYS 96 2HB LYS 96 -3.429 14.313 10.125 642 1HG LYS 96 1HG LYS 96 -5.242 15.514 9.524 643 2HG LYS 96 2HG LYS 96 -4.243 16.869 8.997 644 1HD LYS 96 1HD LYS 96 -3.732 15.399 6.917 645 2HD LYS 96 2HD LYS 96 -5.144 14.466 7.413 646 1HE LYS 96 1HE LYS 96 -5.623 17.369 7.443 647 2HE LYS 96 2HE LYS 96 -5.240 16.733 5.831 648 1HZ LYS 96 1HZ LYS 96 -6.814 14.846 6.457 649 2HZ LYS 96 2HZ LYS 96 -7.365 15.860 7.703 650 3HZ LYS 96 3HZ LYS 96 -7.523 16.343 6.082 651 H ASP 97 H ASP 97 -0.564 14.605 11.396 652 HA ASP 97 HA ASP 97 -0.195 14.151 13.691 653 1HB ASP 97 2HB ASP 97 -1.920 16.511 14.388 654 2HB ASP 97 1HB ASP 97 -0.382 16.009 15.088 655 H VAL 98 H VAL 98 -2.895 13.563 12.151 656 HA VAL 98 HA VAL 98 -4.787 13.318 14.391 657 HB VAL 98 HB VAL 98 -4.780 12.649 11.441 658 1HG1 VAL 98 1HG1 VAL 98 -6.747 11.922 13.591 659 2HG1 VAL 98 2HG1 VAL 98 -7.341 12.325 11.981 660 3HG1 VAL 98 3HG1 VAL 98 -6.221 10.979 12.196 661 1HG2 VAL 98 1HG2 VAL 98 -4.987 15.036 12.214 662 2HG2 VAL 98 2HG2 VAL 98 -6.387 14.459 11.310 663 3HG2 VAL 98 3HG2 VAL 98 -6.462 14.578 13.067 664 H ARG 99 H ARG 99 -5.725 11.210 14.979 665 HA ARG 99 HA ARG 99 -4.079 8.819 14.293 666 1HB ARG 99 1HB ARG 99 -3.653 10.342 16.558 667 2HB ARG 99 2HB ARG 99 -4.745 9.089 17.147 668 1HG ARG 99 2HG ARG 99 -2.507 8.247 17.411 669 2HG ARG 99 1HG ARG 99 -3.219 7.389 16.044 670 1HD ARG 99 1HD ARG 99 -2.132 9.090 14.515 671 2HD ARG 99 2HD ARG 99 -1.275 9.721 15.935 672 HE ARG 99 HE ARG 99 -0.298 7.434 16.219 673 1HH1 ARG 99 1HH1 ARG 99 -2.531 6.893 13.878 674 2HH1 ARG 99 2HH1 ARG 99 -1.444 6.262 12.687 675 1HH2 ARG 99 1HH2 ARG 99 1.414 7.192 14.412 676 2HH2 ARG 99 2HH2 ARG 99 0.786 6.429 12.989 677 H LEU 100 H LEU 100 -5.194 6.925 15.804 678 HA LEU 100 HA LEU 100 -8.143 7.144 15.289 679 1HB LEU 100 1HB LEU 100 -6.395 5.516 14.059 680 2HB LEU 100 2HB LEU 100 -6.723 4.523 15.479 681 HG LEU 100 HG LEU 100 -9.205 5.587 14.498 682 1HD1 LEU 100 1HD1 LEU 100 -7.267 4.627 12.453 683 2HD1 LEU 100 2HD1 LEU 100 -8.915 4.012 12.329 684 3HD1 LEU 100 3HD1 LEU 100 -8.617 5.749 12.282 685 1HD2 LEU 100 1HD2 LEU 100 -7.999 2.808 14.609 686 2HD2 LEU 100 2HD2 LEU 100 -9.027 3.561 15.827 687 3HD2 LEU 100 3HD2 LEU 100 -9.693 3.135 14.251 688 H THR 101 H THR 101 -9.380 5.508 16.764 689 HA THR 101 HA THR 101 -10.049 5.115 19.015 690 HB THR 101 HB THR 101 -8.074 3.869 20.183 691 HG1 THR 101 HG1 THR 101 -6.609 3.244 18.311 692 1HG2 THR 101 1HG2 THR 101 -9.915 3.151 18.170 693 2HG2 THR 101 2HG2 THR 101 -8.381 2.413 17.710 694 3HG2 THR 101 3HG2 THR 101 -9.084 2.071 19.291 695 H CYS 102 H CYS 102 -8.912 7.813 18.448 696 HA CYS 102 HA CYS 102 -8.073 9.689 19.627 697 1HB CYS 102 1HB CYS 102 -9.548 7.915 21.543 698 2HB CYS 102 2HB CYS 102 -8.683 9.304 22.201 699 H ILE 103 H ILE 103 -5.884 8.571 18.982 700 HA ILE 103 HA ILE 103 -3.640 8.185 19.624 701 HB ILE 103 HB ILE 103 -4.639 8.732 22.433 702 1HG1 ILE 103 2HG1 ILE 103 -3.618 11.094 21.217 703 2HG1 ILE 103 1HG1 ILE 103 -4.828 10.426 20.122 704 1HG2 ILE 103 1HG2 ILE 103 -2.120 8.148 21.405 705 2HG2 ILE 103 2HG2 ILE 103 -2.116 9.906 21.548 706 3HG2 ILE 103 3HG2 ILE 103 -2.451 8.906 22.962 707 1HD1 ILE 103 1HD1 ILE 103 -5.991 10.126 22.628 708 2HD1 ILE 103 2HD1 ILE 103 -5.184 11.690 22.737 709 3HD1 ILE 103 3HD1 ILE 103 -6.369 11.396 21.465 710 H GLY 104 H GLY 104 -4.506 5.898 19.065 711 1HA GLY 104 2HA GLY 104 -4.096 3.617 19.580 712 2HA GLY 104 1HA GLY 104 -5.439 3.923 20.677 713 H SER 105 H SER 105 -1.969 3.529 20.442 714 HA SER 105 HA SER 105 -1.861 3.478 23.440 715 1HB SER 105 1HB SER 105 0.160 1.890 22.742 716 2HB SER 105 2HB SER 105 -1.496 1.286 22.769 717 HG SER 105 HG SER 105 0.091 1.250 20.746 718 HA PRO 106 HA PRO 106 1.132 6.716 22.849 719 1HB PRO 106 1HB PRO 106 1.830 6.977 25.481 720 2HB PRO 106 2HB PRO 106 0.321 7.627 24.813 721 1HG PRO 106 2HG PRO 106 0.787 5.167 26.417 722 2HG PRO 106 1HG PRO 106 -0.584 6.283 26.434 723 1HD PRO 106 1HD PRO 106 -0.570 3.828 25.178 724 2HD PRO 106 2HD PRO 106 -1.655 5.169 24.759 725 H ALA 107 H ALA 107 3.209 6.337 22.148 726 HA ALA 107 HA ALA 107 4.698 4.003 23.221 727 1HB ALA 107 1HB ALA 107 4.282 4.849 20.724 728 2HB ALA 107 3HB ALA 107 5.712 5.821 21.070 729 3HB ALA 107 2HB ALA 107 5.794 4.062 21.175 730 H ALA 108 H ALA 108 4.956 7.529 22.957 731 HA ALA 108 HA ALA 108 7.558 7.546 24.368 732 1HB ALA 108 1HB ALA 108 6.984 9.020 22.415 733 2HB ALA 108 3HB ALA 108 5.765 9.804 23.420 734 3HB ALA 108 2HB ALA 108 7.472 9.928 23.847 735 H ASP 109 H ASP 109 7.816 8.704 26.410 736 HA ASP 109 HA ASP 109 5.913 8.120 28.420 737 1HB ASP 109 1HB ASP 109 8.431 9.493 28.088 738 2HB ASP 109 2HB ASP 109 7.400 10.407 29.190 739 H GLU 110 H GLU 110 6.716 11.467 27.434 740 HA GLU 110 HA GLU 110 3.933 12.271 28.123 741 1HB GLU 110 2HB GLU 110 4.885 14.462 28.313 742 2HB GLU 110 1HB GLU 110 6.076 13.362 29.008 743 1HG GLU 110 1HG GLU 110 6.857 13.334 26.405 744 2HG GLU 110 2HG GLU 110 6.208 14.970 26.517 745 H VAL 111 H VAL 111 2.503 12.997 26.550 746 HA VAL 111 HA VAL 111 3.544 13.561 23.812 747 HB VAL 111 HB VAL 111 1.210 11.717 24.371 748 1HG1 VAL 111 1HG1 VAL 111 1.875 12.995 22.085 749 2HG1 VAL 111 2HG1 VAL 111 2.889 11.561 21.923 750 3HG1 VAL 111 3HG1 VAL 111 1.143 11.390 22.102 751 1HG2 VAL 111 1HG2 VAL 111 4.108 10.995 23.835 752 2HG2 VAL 111 2HG2 VAL 111 3.252 10.746 25.355 753 3HG2 VAL 111 3HG2 VAL 111 2.769 9.851 23.914 754 H LYS 112 H LYS 112 2.314 15.130 22.737 755 HA LYS 112 HA LYS 112 -0.009 16.250 24.267 756 1HB LYS 112 1HB LYS 112 1.965 17.511 22.336 757 2HB LYS 112 2HB LYS 112 0.648 18.371 23.134 758 1HG LYS 112 1HG LYS 112 1.670 18.297 25.206 759 2HG LYS 112 2HG LYS 112 2.524 16.796 24.847 760 1HD LYS 112 2HD LYS 112 4.348 18.081 24.477 761 2HD LYS 112 1HD LYS 112 3.552 18.598 22.991 762 1HE LYS 112 1HE LYS 112 2.757 19.981 25.522 763 2HE LYS 112 2HE LYS 112 4.336 20.385 24.820 764 1HZ LYS 112 1HZ LYS 112 3.117 20.530 22.630 765 2HZ LYS 112 2HZ LYS 112 1.669 20.502 23.519 766 3HZ LYS 112 3HZ LYS 112 2.776 21.771 23.739 767 H ILE 113 H ILE 113 -1.916 16.705 23.117 768 HA ILE 113 HA ILE 113 -2.057 16.388 20.202 769 HB ILE 113 HB ILE 113 -2.032 14.067 20.990 770 1HG1 ILE 113 1HG1 ILE 113 -4.942 14.477 20.488 771 2HG1 ILE 113 2HG1 ILE 113 -3.826 15.084 19.266 772 1HG2 ILE 113 1HG2 ILE 113 -2.886 14.743 23.310 773 2HG2 ILE 113 2HG2 ILE 113 -4.503 14.719 22.607 774 3HG2 ILE 113 3HG2 ILE 113 -3.537 13.244 22.648 775 1HD1 ILE 113 1HD1 ILE 113 -2.909 12.501 20.040 776 2HD1 ILE 113 2HD1 ILE 113 -4.643 12.374 19.745 777 3HD1 ILE 113 3HD1 ILE 113 -3.576 12.989 18.481 778 H VAL 114 H VAL 114 -4.113 17.095 19.377 779 HA VAL 114 HA VAL 114 -5.604 18.805 21.293 780 HB VAL 114 HB VAL 114 -4.582 19.129 18.737 781 1HG1 VAL 114 1HG1 VAL 114 -6.436 17.766 17.796 782 2HG1 VAL 114 2HG1 VAL 114 -7.596 18.892 18.500 783 3HG1 VAL 114 3HG1 VAL 114 -6.491 19.439 17.239 784 1HG2 VAL 114 1HG2 VAL 114 -5.493 20.735 20.645 785 2HG2 VAL 114 2HG2 VAL 114 -5.322 21.305 18.985 786 3HG2 VAL 114 3HG2 VAL 114 -6.903 20.810 19.589 787 H TYR 115 H TYR 115 -7.614 18.215 22.003 788 HA TYR 115 HA TYR 115 -8.896 15.819 20.772 789 1HB TYR 115 1HB TYR 115 -9.112 15.282 22.960 790 2HB TYR 115 2HB TYR 115 -8.412 16.829 23.419 791 HD1 TYR 115 HD1 TYR 115 -9.865 18.797 23.822 792 HD2 TYR 115 HD2 TYR 115 -11.497 14.896 23.060 793 HE1 TYR 115 HE1 TYR 115 -12.057 19.547 24.695 794 HE2 TYR 115 HE2 TYR 115 -13.692 15.647 23.937 795 HH TYR 115 HH TYR 115 -14.077 18.716 25.544 796 H ASN 116 H ASN 116 -11.159 15.918 20.179 797 HA ASN 116 HA ASN 116 -13.176 16.966 19.486 798 1HB ASN 116 1HB ASN 116 -12.202 18.504 21.617 799 2HB ASN 116 2HB ASN 116 -12.496 19.670 20.333 800 2HD2 ASN 116 2HD2 ASN 116 -14.298 20.295 22.010 801 1HD2 ASN 116 1HD2 ASN 116 -15.789 19.501 21.842 802 H ALA 117 H ALA 117 -11.081 16.657 17.678 803 HA ALA 117 HA ALA 117 -10.318 19.114 16.357 804 1HB ALA 117 1HB ALA 117 -9.259 16.766 16.317 805 2HB ALA 117 3HB ALA 117 -9.346 17.616 14.774 806 3HB ALA 117 2HB ALA 117 -10.513 16.348 15.149 807 H LYS 118 H LYS 118 -13.248 17.352 16.456 808 HA LYS 118 HA LYS 118 -14.298 17.633 13.841 809 1HB LYS 118 1HB LYS 118 -16.485 17.585 15.078 810 2HB LYS 118 2HB LYS 118 -15.354 16.348 15.626 811 1HG LYS 118 2HG LYS 118 -15.626 17.169 17.711 812 2HG LYS 118 1HG LYS 118 -14.745 18.601 17.177 813 1HD LYS 118 1HD LYS 118 -16.773 19.483 17.995 814 2HD LYS 118 2HD LYS 118 -17.040 19.396 16.254 815 1HE LYS 118 1HE LYS 118 -18.423 17.485 16.441 816 2HE LYS 118 2HE LYS 118 -17.811 17.096 18.062 817 H HIS 119 H HIS 119 -13.594 20.053 16.227 818 HA HIS 119 HA HIS 119 -15.469 22.075 15.357 819 1HB HIS 119 1HB HIS 119 -12.816 22.126 16.827 820 2HB HIS 119 2HB HIS 119 -13.857 23.538 16.650 821 HD1 HIS 119 HD1 HIS 119 -16.542 22.823 17.356 822 HD2 HIS 119 HD2 HIS 119 -13.369 20.855 19.212 823 HE1 HIS 119 HE1 HIS 119 -17.468 21.825 19.491 824 H LEU 120 H LEU 120 -12.252 21.083 14.297 825 HA LEU 120 HA LEU 120 -11.315 23.279 12.870 826 1HB LEU 120 1HB LEU 120 -11.006 20.422 12.915 827 2HB LEU 120 2HB LEU 120 -11.012 20.962 11.236 828 HG LEU 120 HG LEU 120 -9.286 22.147 13.432 829 1HD1 LEU 120 1HD1 LEU 120 -8.818 19.735 12.537 830 2HD1 LEU 120 2HD1 LEU 120 -8.296 20.564 11.071 831 3HD1 LEU 120 3HD1 LEU 120 -7.486 20.889 12.604 832 1HD2 LEU 120 1HD2 LEU 120 -9.928 23.709 11.601 833 2HD2 LEU 120 2HD2 LEU 120 -8.202 23.346 11.594 834 3HD2 LEU 120 3HD2 LEU 120 -9.272 22.568 10.428 835 H ASP 121 H ASP 121 -12.329 24.550 11.370 836 HA ASP 121 HA ASP 121 -14.824 23.881 10.119 837 1HB ASP 121 1HB ASP 121 -13.464 26.132 10.598 838 2HB ASP 121 2HB ASP 121 -12.932 25.874 8.937 839 H TYR 122 H TYR 122 -11.531 23.152 9.284 840 HA TYR 122 HA TYR 122 -12.014 22.744 6.428 841 1HB TYR 122 1HB TYR 122 -9.831 23.392 7.384 842 2HB TYR 122 2HB TYR 122 -9.783 21.886 8.302 843 HD1 TYR 122 HD1 TYR 122 -9.771 19.680 7.044 844 HD2 TYR 122 HD2 TYR 122 -9.165 23.464 5.105 845 HE1 TYR 122 HE1 TYR 122 -8.782 18.519 5.088 846 HE2 TYR 122 HE2 TYR 122 -8.177 22.303 3.148 847 HH TYR 122 HH TYR 122 -8.575 19.267 2.419 848 H LEU 123 H LEU 123 -12.653 20.944 9.273 849 HA LEU 123 HA LEU 123 -12.931 18.434 7.650 850 1HB LEU 123 1HB LEU 123 -11.417 19.025 9.984 851 2HB LEU 123 2HB LEU 123 -12.734 17.962 10.481 852 HG LEU 123 HG LEU 123 -11.121 17.349 8.012 853 1HD1 LEU 123 1HD1 LEU 123 -10.404 16.838 10.899 854 2HD1 LEU 123 2HD1 LEU 123 -9.827 15.782 9.610 855 3HD1 LEU 123 3HD1 LEU 123 -9.385 17.489 9.615 856 1HD2 LEU 123 1HD2 LEU 123 -13.359 16.216 9.195 857 2HD2 LEU 123 2HD2 LEU 123 -12.294 15.413 8.040 858 3HD2 LEU 123 3HD2 LEU 123 -12.041 15.194 9.772 859 H GLN 124 H GLN 124 -14.320 20.516 10.160 860 HA GLN 124 HA GLN 124 -16.515 18.998 11.023 861 1HB GLN 124 1HB GLN 124 -15.952 21.171 11.940 862 2HB GLN 124 2HB GLN 124 -16.230 21.950 10.382 863 1HG GLN 124 1HG GLN 124 -18.568 21.633 10.509 864 2HG GLN 124 2HG GLN 124 -18.421 20.396 11.757 865 2HE2 GLN 124 2HE2 GLN 124 -16.817 23.609 11.646 866 1HE2 GLN 124 1HE2 GLN 124 -17.523 24.182 13.080 867 H ASN 125 H ASN 125 -15.964 20.484 7.899 868 HA ASN 125 HA ASN 125 -18.692 20.498 6.960 869 1HB ASN 125 1HB ASN 125 -17.629 20.899 4.817 870 2HB ASN 125 2HB ASN 125 -16.694 21.748 6.048 871 2HD2 ASN 125 2HD2 ASN 125 -15.750 20.646 3.405 872 1HD2 ASN 125 1HD2 ASN 125 -14.493 19.572 3.789 873 H ARG 126 H ARG 126 -16.190 18.026 7.126 874 HA ARG 126 HA ARG 126 -17.205 16.159 5.232 875 1HB ARG 126 1HB ARG 126 -15.006 16.031 6.316 876 2HB ARG 126 2HB ARG 126 -15.774 15.783 7.884 877 1HG ARG 126 2HG ARG 126 -15.611 13.569 7.436 878 2HG ARG 126 1HG ARG 126 -16.938 13.826 6.303 879 1HD ARG 126 1HD ARG 126 -15.360 14.201 4.472 880 2HD ARG 126 2HD ARG 126 -13.991 14.091 5.597 881 HE ARG 126 HE ARG 126 -15.441 11.748 6.025 882 1HH1 ARG 126 1HH1 ARG 126 -15.961 12.347 3.006 883 2HH1 ARG 126 2HH1 ARG 126 -14.759 11.325 2.291 884 1HH2 ARG 126 1HH2 ARG 126 -13.023 10.845 5.254 885 2HH2 ARG 126 2HH2 ARG 126 -13.096 10.475 3.563 886 H VAL 127 H VAL 127 -18.414 17.126 8.343 887 HA VAL 127 HA VAL 127 -19.893 14.745 9.015 888 HB VAL 127 HB VAL 127 -20.192 17.683 9.703 889 1HG1 VAL 127 1HG1 VAL 127 -22.016 15.535 10.148 890 2HG1 VAL 127 2HG1 VAL 127 -21.272 15.934 11.696 891 3HG1 VAL 127 3HG1 VAL 127 -22.108 17.182 10.770 892 1HG2 VAL 127 1HG2 VAL 127 -18.994 15.333 11.203 893 2HG2 VAL 127 2HG2 VAL 127 -18.082 16.625 10.421 894 3HG2 VAL 127 3HG2 VAL 127 -19.106 16.985 11.811 895 H ILE 128 H ILE 128 -20.725 17.706 7.213 896 HA ILE 128 HA ILE 128 -22.569 18.173 5.809 897 HB ILE 128 HB ILE 128 -22.580 15.141 5.670 898 1HG1 ILE 128 1HG1 ILE 128 -20.924 17.234 4.241 899 2HG1 ILE 128 2HG1 ILE 128 -20.343 15.879 5.208 900 1HG2 ILE 128 1HG2 ILE 128 -24.281 17.045 4.511 901 2HG2 ILE 128 2HG2 ILE 128 -23.147 16.617 3.230 902 3HG2 ILE 128 3HG2 ILE 128 -24.102 15.361 4.020 903 1HD1 ILE 128 1HD1 ILE 128 -21.289 14.299 3.561 904 2HD1 ILE 128 2HD1 ILE 128 -21.861 15.656 2.591 905 3HD1 ILE 128 3HD1 ILE 128 -20.131 15.390 2.800 No H/Q in entry = 905 Start of MODEL 15 1 H2 PRO 1 H2 PRO 1 4.380 8.475 30.677 2 H3 PRO 1 H3 PRO 1 5.350 7.657 29.544 3 HA PRO 1 HA PRO 1 3.639 7.666 28.143 4 1HB PRO 1 1HB PRO 1 1.689 6.130 29.293 5 2HB PRO 1 2HB PRO 1 3.196 5.454 28.648 6 1HG PRO 1 2HG PRO 1 2.444 6.078 31.465 7 2HG PRO 1 1HG PRO 1 3.335 4.692 30.818 8 1HD PRO 1 1HD PRO 1 4.538 6.806 32.040 9 2HD PRO 1 2HD PRO 1 5.326 5.829 30.786 10 H THR 2 H THR 2 3.476 10.090 29.085 11 HA THR 2 HA THR 2 0.747 10.488 30.257 12 HB THR 2 HB THR 2 3.340 12.036 30.271 13 HG1 THR 2 HG1 THR 2 2.197 11.985 32.599 14 1HG2 THR 2 1HG2 THR 2 0.653 13.122 30.221 15 2HG2 THR 2 2HG2 THR 2 1.443 13.484 31.755 16 3HG2 THR 2 3HG2 THR 2 2.196 13.975 30.238 17 H VAL 3 H VAL 3 -0.736 11.754 29.121 18 HA VAL 3 HA VAL 3 0.164 12.823 26.462 19 HB VAL 3 HB VAL 3 -2.450 11.531 27.306 20 1HG1 VAL 3 1HG1 VAL 3 -1.529 12.868 24.768 21 2HG1 VAL 3 2HG1 VAL 3 -2.742 11.588 24.715 22 3HG1 VAL 3 3HG1 VAL 3 -3.056 13.063 25.628 23 1HG2 VAL 3 1HG2 VAL 3 -0.070 10.594 25.702 24 2HG2 VAL 3 2HG2 VAL 3 -0.836 9.808 27.082 25 3HG2 VAL 3 3HG2 VAL 3 -1.656 9.847 25.521 26 H GLU 4 H GLU 4 -1.317 14.624 25.682 27 HA GLU 4 HA GLU 4 -2.586 16.142 27.926 28 1HB GLU 4 1HB GLU 4 -0.104 16.657 26.574 29 2HB GLU 4 2HB GLU 4 -1.241 17.942 26.172 30 1HG GLU 4 1HG GLU 4 -1.145 18.805 28.258 31 2HG GLU 4 2HG GLU 4 -1.359 17.218 28.998 32 H TYR 5 H TYR 5 -4.711 16.114 27.160 33 HA TYR 5 HA TYR 5 -5.223 16.520 24.267 34 1HB TYR 5 1HB TYR 5 -7.508 15.929 24.904 35 2HB TYR 5 2HB TYR 5 -6.386 14.794 25.654 36 HD1 TYR 5 HD1 TYR 5 -8.482 17.801 26.256 37 HD2 TYR 5 HD2 TYR 5 -6.142 14.668 28.034 38 HE1 TYR 5 HE1 TYR 5 -9.363 18.411 28.491 39 HE2 TYR 5 HE2 TYR 5 -7.024 15.278 30.271 40 HH TYR 5 HH TYR 5 -8.910 16.413 31.253 41 H LEU 6 H LEU 6 -6.020 18.431 23.425 42 HA LEU 6 HA LEU 6 -6.769 20.603 25.355 43 1HB LEU 6 1HB LEU 6 -4.455 20.385 23.789 44 2HB LEU 6 2HB LEU 6 -5.483 21.508 22.901 45 HG LEU 6 HG LEU 6 -4.673 21.738 25.815 46 1HD1 LEU 6 1HD1 LEU 6 -3.174 22.381 23.659 47 2HD1 LEU 6 2HD1 LEU 6 -4.126 23.859 23.804 48 3HD1 LEU 6 3HD1 LEU 6 -3.136 23.309 25.157 49 1HD2 LEU 6 1HD2 LEU 6 -6.985 22.525 25.412 50 2HD2 LEU 6 2HD2 LEU 6 -5.902 23.871 25.766 51 3HD2 LEU 6 3HD2 LEU 6 -6.399 23.554 24.104 52 H ASN 7 H ASN 7 -8.917 21.027 24.924 53 HA ASN 7 HA ASN 7 -10.392 20.332 22.634 54 1HB ASN 7 2HB ASN 7 -11.991 21.970 23.502 55 2HB ASN 7 1HB ASN 7 -11.217 21.152 24.859 56 2HD2 ASN 7 2HD2 ASN 7 -12.391 23.846 24.945 57 1HD2 ASN 7 1HD2 ASN 7 -11.127 24.910 25.331 58 H TYR 8 H TYR 8 -9.873 20.922 20.554 59 HA TYR 8 HA TYR 8 -8.197 23.068 19.788 60 1HB TYR 8 1HB TYR 8 -8.546 21.406 18.191 61 2HB TYR 8 2HB TYR 8 -10.279 21.335 18.499 62 HD1 TYR 8 HD1 TYR 8 -11.716 23.321 17.792 63 HD2 TYR 8 HD2 TYR 8 -7.685 22.745 16.432 64 HE1 TYR 8 HE1 TYR 8 -12.143 24.849 15.893 65 HE2 TYR 8 HE2 TYR 8 -8.108 24.284 14.532 66 HH TYR 8 HH TYR 8 -10.541 24.996 13.250 67 H GLU 9 H GLU 9 -11.545 23.090 20.742 68 HA GLU 9 HA GLU 9 -12.467 25.427 19.394 69 1HB GLU 9 1HB GLU 9 -13.578 23.612 20.987 70 2HB GLU 9 2HB GLU 9 -13.234 24.816 22.230 71 1HG GLU 9 1HG GLU 9 -15.026 26.010 21.575 72 2HG GLU 9 2HG GLU 9 -14.336 26.167 19.960 73 H THR 10 H THR 10 -10.800 25.051 22.529 74 HA THR 10 HA THR 10 -10.777 27.831 23.241 75 HB THR 10 HB THR 10 -9.188 25.365 23.922 76 HG1 THR 10 HG1 THR 10 -10.726 27.167 25.477 77 1HG2 THR 10 1HG2 THR 10 -8.445 28.197 24.466 78 2HG2 THR 10 2HG2 THR 10 -8.286 27.055 25.801 79 3HG2 THR 10 3HG2 THR 10 -7.414 26.776 24.293 80 H LEU 11 H LEU 11 -8.627 25.835 21.254 81 HA LEU 11 HA LEU 11 -6.476 27.696 20.958 82 1HB LEU 11 1HB LEU 11 -7.214 25.140 20.095 83 2HB LEU 11 2HB LEU 11 -7.086 26.074 18.605 84 HG LEU 11 HG LEU 11 -4.960 25.838 20.756 85 1HD1 LEU 11 1HD1 LEU 11 -5.580 24.335 18.341 86 2HD1 LEU 11 2HD1 LEU 11 -3.971 25.053 18.256 87 3HD1 LEU 11 3HD1 LEU 11 -4.390 23.986 19.596 88 1HD2 LEU 11 1HD2 LEU 11 -5.355 28.040 19.259 89 2HD2 LEU 11 2HD2 LEU 11 -3.742 27.464 19.678 90 3HD2 LEU 11 3HD2 LEU 11 -4.432 27.082 18.101 91 H ASP 12 H ASP 12 -9.437 27.163 19.036 92 HA ASP 12 HA ASP 12 -8.842 29.357 17.189 93 1HB ASP 12 1HB ASP 12 -10.081 27.308 16.569 94 2HB ASP 12 2HB ASP 12 -11.342 27.720 17.732 95 H ASP 13 H ASP 13 -11.286 28.801 19.756 96 HA ASP 13 HA ASP 13 -12.633 31.248 19.710 97 1HB ASP 13 1HB ASP 13 -13.310 29.459 21.157 98 2HB ASP 13 2HB ASP 13 -11.745 29.437 21.971 99 H GLN 14 H GLN 14 -9.591 30.492 21.435 100 HA GLN 14 HA GLN 14 -9.258 33.319 22.227 101 1HB GLN 14 1HB GLN 14 -8.308 30.680 22.984 102 2HB GLN 14 2HB GLN 14 -6.959 31.803 22.811 103 1HG GLN 14 1HG GLN 14 -7.493 32.748 24.781 104 2HG GLN 14 2HG GLN 14 -9.082 33.175 24.147 105 2HE2 GLN 14 2HE2 GLN 14 -8.499 32.239 26.898 106 1HE2 GLN 14 1HE2 GLN 14 -9.370 30.798 27.109 107 H GLY 15 H GLY 15 -8.359 31.259 19.618 108 1HA GLY 15 2HA GLY 15 -7.011 33.369 18.208 109 2HA GLY 15 1HA GLY 15 -7.044 31.675 17.717 110 H TRP 16 H TRP 16 -5.849 30.576 20.069 111 HA TRP 16 HA TRP 16 -3.265 31.920 20.488 112 1HB TRP 16 1HB TRP 16 -4.902 29.785 21.642 113 2HB TRP 16 2HB TRP 16 -3.189 29.368 21.596 114 HD1 TRP 16 HD1 TRP 16 -1.961 32.236 22.034 115 HE1 TRP 16 HE1 TRP 16 -2.154 33.376 24.339 116 HE3 TRP 16 HE3 TRP 16 -5.931 29.666 23.960 117 HZ2 TRP 16 HZ2 TRP 16 -3.779 33.220 26.688 118 HZ3 TRP 16 HZ3 TRP 16 -6.781 30.181 26.231 119 HH2 TRP 16 HH2 TRP 16 -5.710 31.954 27.596 120 H ASP 17 H ASP 17 -1.430 29.925 20.529 121 HA ASP 17 HA ASP 17 -1.252 29.134 17.655 122 1HB ASP 17 1HB ASP 17 0.644 29.769 19.889 123 2HB ASP 17 2HB ASP 17 1.207 28.729 18.579 124 H MET 18 H MET 18 0.230 27.013 17.494 125 HA MET 18 HA MET 18 -1.309 24.860 18.743 126 1HB MET 18 2HB MET 18 1.196 24.795 17.032 127 2HB MET 18 1HB MET 18 0.053 23.474 17.273 128 1HG MET 18 1HG MET 18 -1.720 25.149 16.361 129 2HG MET 18 2HG MET 18 -0.330 26.043 15.745 130 1HE MET 18 1HE MET 18 0.842 25.804 14.183 131 2HE MET 18 2HE MET 18 1.556 24.297 13.615 132 3HE MET 18 3HE MET 18 0.254 25.047 12.696 133 H ASP 19 H ASP 19 2.177 25.747 18.759 134 HA ASP 19 HA ASP 19 2.351 24.510 21.487 135 1HB ASP 19 1HB ASP 19 3.232 23.201 19.416 136 2HB ASP 19 2HB ASP 19 4.544 24.380 19.421 137 H ASP 20 H ASP 20 2.731 27.307 19.685 138 HA ASP 20 HA ASP 20 5.188 28.331 20.876 139 1HB ASP 20 1HB ASP 20 3.473 28.957 18.772 140 2HB ASP 20 2HB ASP 20 3.234 30.282 19.910 141 H ASP 21 H ASP 21 1.709 29.050 21.372 142 HA ASP 21 HA ASP 21 2.184 30.749 23.676 143 1HB ASP 21 1HB ASP 21 0.229 30.828 22.106 144 2HB ASP 21 2HB ASP 21 -0.313 29.285 22.766 145 H ASP 22 H ASP 22 2.498 27.446 23.304 146 HA ASP 22 HA ASP 22 2.509 25.635 24.821 147 1HB ASP 22 1HB ASP 22 3.320 28.128 26.235 148 2HB ASP 22 2HB ASP 22 2.992 26.720 27.246 149 H LEU 23 H LEU 23 -0.084 26.313 24.186 150 HA LEU 23 HA LEU 23 -1.860 27.104 26.218 151 1HB LEU 23 1HB LEU 23 -2.022 25.056 23.995 152 2HB LEU 23 2HB LEU 23 -3.423 25.486 24.975 153 HG LEU 23 HG LEU 23 -1.740 27.485 23.436 154 1HD1 LEU 23 1HD1 LEU 23 -3.504 25.619 22.377 155 2HD1 LEU 23 2HD1 LEU 23 -4.507 27.055 22.579 156 3HD1 LEU 23 3HD1 LEU 23 -3.036 27.138 21.611 157 1HD2 LEU 23 1HD2 LEU 23 -3.859 27.672 25.434 158 2HD2 LEU 23 2HD2 LEU 23 -2.816 28.940 24.790 159 3HD2 LEU 23 3HD2 LEU 23 -4.293 28.496 23.936 160 H PHE 24 H PHE 24 -0.374 23.923 25.647 161 HA PHE 24 HA PHE 24 -1.780 22.405 27.587 162 1HB PHE 24 1HB PHE 24 0.990 22.330 26.388 163 2HB PHE 24 2HB PHE 24 0.470 21.109 27.549 164 HD1 PHE 24 HD1 PHE 24 -2.029 20.184 27.040 165 HD2 PHE 24 HD2 PHE 24 0.678 21.832 24.140 166 HE1 PHE 24 HE1 PHE 24 -3.231 18.981 25.236 167 HE2 PHE 24 HE2 PHE 24 -0.525 20.629 22.335 168 HZ PHE 24 HZ PHE 24 -2.479 19.205 22.883 169 H GLU 25 H GLU 25 0.492 24.967 27.994 170 HA GLU 25 HA GLU 25 0.931 24.195 30.860 171 1HB GLU 25 1HB GLU 25 2.472 25.835 28.837 172 2HB GLU 25 2HB GLU 25 2.846 25.895 30.561 173 1HG GLU 25 1HG GLU 25 2.601 23.154 29.892 174 2HG GLU 25 2HG GLU 25 3.584 23.889 28.624 175 H LYS 26 H LYS 26 0.061 26.878 28.683 176 HA LYS 26 HA LYS 26 -0.397 28.786 30.831 177 1HB LYS 26 1HB LYS 26 -0.086 28.804 28.078 178 2HB LYS 26 2HB LYS 26 -1.794 29.192 28.279 179 1HG LYS 26 2HG LYS 26 -1.175 31.305 28.766 180 2HG LYS 26 1HG LYS 26 -0.452 30.687 30.251 181 1HD LYS 26 1HD LYS 26 1.611 30.130 28.838 182 2HD LYS 26 2HD LYS 26 0.880 31.112 27.568 183 1HE LYS 26 1HE LYS 26 1.721 32.010 30.343 184 2HE LYS 26 2HE LYS 26 2.306 32.612 28.779 185 1HZ LYS 26 1HZ LYS 26 -0.158 33.093 28.336 186 2HZ LYS 26 2HZ LYS 26 -0.361 32.954 30.016 187 3HZ LYS 26 3HZ LYS 26 0.671 34.144 29.381 188 H ALA 27 H ALA 27 -2.342 26.395 29.134 189 HA ALA 27 HA ALA 27 -4.946 27.351 29.862 190 1HB ALA 27 1HB ALA 27 -4.469 25.667 28.125 191 2HB ALA 27 2HB ALA 27 -3.874 24.554 29.357 192 3HB ALA 27 3HB ALA 27 -5.579 25.006 29.326 193 H ALA 28 H ALA 28 -2.425 26.039 31.765 194 HA ALA 28 HA ALA 28 -4.143 24.803 33.802 195 1HB ALA 28 1HB ALA 28 -1.214 25.581 33.908 196 2HB ALA 28 3HB ALA 28 -1.796 24.106 33.137 197 3HB ALA 28 2HB ALA 28 -2.022 24.344 34.870 198 H ASP 29 H ASP 29 -2.933 27.968 33.094 199 HA ASP 29 HA ASP 29 -3.221 28.921 35.886 200 1HB ASP 29 1HB ASP 29 -2.341 30.095 33.241 201 2HB ASP 29 2HB ASP 29 -2.544 31.099 34.678 202 H ALA 30 H ALA 30 -5.175 28.521 33.119 203 HA ALA 30 HA ALA 30 -6.961 30.804 33.746 204 1HB ALA 30 1HB ALA 30 -8.009 29.107 31.729 205 2HB ALA 30 3HB ALA 30 -6.262 29.149 31.490 206 3HB ALA 30 2HB ALA 30 -7.186 30.651 31.504 207 H GLY 31 H GLY 31 -6.894 27.270 33.902 208 1HA GLY 31 2HA GLY 31 -9.063 27.297 35.870 209 2HA GLY 31 1HA GLY 31 -8.180 25.873 35.322 210 H LEU 32 H LEU 32 -8.601 25.625 32.727 211 HA LEU 32 HA LEU 32 -11.355 26.240 31.926 212 1HB LEU 32 1HB LEU 32 -8.876 25.052 30.798 213 2HB LEU 32 2HB LEU 32 -10.387 24.495 30.080 214 HG LEU 32 HG LEU 32 -10.005 27.435 30.524 215 1HD1 LEU 32 1HD1 LEU 32 -8.460 25.714 28.662 216 2HD1 LEU 32 2HD1 LEU 32 -9.164 27.170 27.960 217 3HD1 LEU 32 3HD1 LEU 32 -8.058 27.297 29.328 218 1HD2 LEU 32 1HD2 LEU 32 -11.434 25.676 28.515 219 2HD2 LEU 32 2HD2 LEU 32 -12.160 26.730 29.729 220 3HD2 LEU 32 3HD2 LEU 32 -11.316 27.427 28.346 221 H ASP 33 H ASP 33 -12.614 24.235 30.957 222 HA ASP 33 HA ASP 33 -13.146 22.402 33.155 223 1HB ASP 33 1HB ASP 33 -14.524 23.461 31.034 224 2HB ASP 33 2HB ASP 33 -14.211 21.824 30.456 225 H GLY 34 H GLY 34 -12.329 20.351 33.419 226 1HA GLY 34 2HA GLY 34 -11.138 18.379 32.976 227 2HA GLY 34 1HA GLY 34 -10.073 19.408 32.020 228 H GLU 35 H GLU 35 -13.444 19.235 31.169 229 HA GLU 35 HA GLU 35 -13.292 17.018 29.331 230 1HB GLU 35 1HB GLU 35 -15.303 18.236 30.437 231 2HB GLU 35 2HB GLU 35 -15.145 19.391 29.114 232 1HG GLU 35 1HG GLU 35 -15.894 17.899 27.548 233 2HG GLU 35 2HG GLU 35 -15.109 16.529 28.334 234 H ASP 36 H ASP 36 -11.902 20.107 29.191 235 HA ASP 36 HA ASP 36 -11.807 20.011 26.189 236 1HB ASP 36 1HB ASP 36 -12.140 22.154 28.229 237 2HB ASP 36 2HB ASP 36 -11.166 22.561 26.817 238 H TYR 37 H TYR 37 -9.918 20.851 29.118 239 HA TYR 37 HA TYR 37 -7.441 20.163 27.575 240 1HB TYR 37 1HB TYR 37 -7.425 22.511 27.598 241 2HB TYR 37 2HB TYR 37 -8.183 22.594 29.187 242 HD1 TYR 37 HD1 TYR 37 -5.077 21.173 27.611 243 HD2 TYR 37 HD2 TYR 37 -6.827 23.183 30.979 244 HE1 TYR 37 HE1 TYR 37 -2.843 21.336 28.674 245 HE2 TYR 37 HE2 TYR 37 -4.593 23.347 32.042 246 HH TYR 37 HH TYR 37 -1.971 23.312 30.819 247 H GLY 38 H GLY 38 -5.904 19.007 28.766 248 1HA GLY 38 2HA GLY 38 -6.776 17.737 31.220 249 2HA GLY 38 1HA GLY 38 -5.516 18.932 31.523 250 H THR 39 H THR 39 -4.215 17.023 32.199 251 HA THR 39 HA THR 39 -2.644 15.998 29.918 252 HB THR 39 HB THR 39 -2.286 15.442 32.870 253 HG1 THR 39 HG1 THR 39 -1.942 17.478 33.126 254 1HG2 THR 39 1HG2 THR 39 -0.694 15.184 30.396 255 2HG2 THR 39 2HG2 THR 39 0.171 15.877 31.767 256 3HG2 THR 39 3HG2 THR 39 -0.577 14.286 31.910 257 H MET 40 H MET 40 -3.320 14.113 28.962 258 HA MET 40 HA MET 40 -5.086 12.241 30.360 259 1HB MET 40 1HB MET 40 -4.185 12.869 27.673 260 2HB MET 40 2HB MET 40 -4.135 11.128 27.956 261 1HG MET 40 1HG MET 40 -6.425 10.992 28.373 262 2HG MET 40 2HG MET 40 -6.546 12.693 28.824 263 1HE MET 40 1HE MET 40 -6.522 10.019 26.604 264 2HE MET 40 2HE MET 40 -7.451 10.561 25.208 265 3HE MET 40 3HE MET 40 -5.682 10.584 25.163 266 H GLU 41 H GLU 41 -3.301 11.905 32.099 267 HA GLU 41 HA GLU 41 -0.920 10.402 31.405 268 1HB GLU 41 1HB GLU 41 -1.484 11.885 33.452 269 2HB GLU 41 2HB GLU 41 -2.327 10.468 34.079 270 1HG GLU 41 1HG GLU 41 -0.250 9.143 33.866 271 2HG GLU 41 2HG GLU 41 0.591 10.565 33.250 272 H VAL 42 H VAL 42 -1.032 8.321 30.653 273 HA VAL 42 HA VAL 42 -2.958 6.449 31.983 274 HB VAL 42 HB VAL 42 -3.578 5.591 29.827 275 1HG1 VAL 42 1HG1 VAL 42 -3.355 8.614 29.674 276 2HG1 VAL 42 2HG1 VAL 42 -4.416 7.622 28.672 277 3HG1 VAL 42 3HG1 VAL 42 -4.676 7.708 30.414 278 1HG2 VAL 42 1HG2 VAL 42 -1.240 5.693 28.903 279 2HG2 VAL 42 2HG2 VAL 42 -2.474 6.241 27.767 280 3HG2 VAL 42 3HG2 VAL 42 -1.478 7.418 28.623 281 H ALA 43 H ALA 43 -2.240 4.166 31.829 282 HA ALA 43 HA ALA 43 0.653 3.902 32.167 283 1HB ALA 43 1HB ALA 43 -1.829 2.336 32.539 284 2HB ALA 43 3HB ALA 43 -0.398 1.374 32.168 285 3HB ALA 43 2HB ALA 43 -0.404 2.441 33.572 286 H GLU 44 H GLU 44 2.098 3.158 30.631 287 HA GLU 44 HA GLU 44 1.691 3.162 27.895 288 1HB GLU 44 1HB GLU 44 3.692 2.457 29.689 289 2HB GLU 44 2HB GLU 44 3.425 0.969 28.784 290 1HG GLU 44 1HG GLU 44 3.539 3.476 27.190 291 2HG GLU 44 2HG GLU 44 5.057 2.939 27.909 292 H GLY 45 H GLY 45 0.118 2.101 26.768 293 1HA GLY 45 2HA GLY 45 -0.348 -0.782 27.413 294 2HA GLY 45 1HA GLY 45 -0.501 -0.103 25.792 295 H GLU 46 H GLU 46 -1.702 2.282 27.610 296 HA GLU 46 HA GLU 46 -4.392 1.116 28.087 297 1HB GLU 46 1HB GLU 46 -2.777 2.945 29.388 298 2HB GLU 46 2HB GLU 46 -3.932 3.984 28.554 299 1HG GLU 46 2HG GLU 46 -4.922 3.471 30.670 300 2HG GLU 46 1HG GLU 46 -5.763 2.467 29.487 301 H TYR 47 H TYR 47 -6.062 1.462 26.659 302 HA TYR 47 HA TYR 47 -5.655 2.696 24.100 303 1HB TYR 47 1HB TYR 47 -7.929 1.622 25.732 304 2HB TYR 47 2HB TYR 47 -8.317 2.562 24.292 305 HD1 TYR 47 HD1 TYR 47 -5.215 0.594 24.560 306 HD2 TYR 47 HD2 TYR 47 -9.244 0.659 23.069 307 HE1 TYR 47 HE1 TYR 47 -4.721 -1.377 23.137 308 HE2 TYR 47 HE2 TYR 47 -8.749 -1.311 21.646 309 HH TYR 47 HH TYR 47 -7.091 -3.235 21.687 310 H ILE 48 H ILE 48 -5.474 4.870 23.758 311 HA ILE 48 HA ILE 48 -5.784 6.975 25.503 312 HB ILE 48 HB ILE 48 -6.472 6.797 22.555 313 1HG1 ILE 48 1HG1 ILE 48 -4.180 6.107 23.151 314 2HG1 ILE 48 2HG1 ILE 48 -4.165 7.636 22.272 315 1HG2 ILE 48 1HG2 ILE 48 -6.935 8.940 24.326 316 2HG2 ILE 48 2HG2 ILE 48 -5.464 9.359 23.448 317 3HG2 ILE 48 3HG2 ILE 48 -6.947 8.999 22.563 318 1HD1 ILE 48 1HD1 ILE 48 -4.374 8.584 24.790 319 2HD1 ILE 48 2HD1 ILE 48 -3.515 7.079 25.122 320 3HD1 ILE 48 3HD1 ILE 48 -2.819 8.268 24.021 321 H LEU 49 H LEU 49 -8.337 6.630 23.043 322 HA LEU 49 HA LEU 49 -10.366 8.041 24.256 323 1HB LEU 49 1HB LEU 49 -10.654 7.105 22.079 324 2HB LEU 49 2HB LEU 49 -10.398 5.463 22.674 325 HG LEU 49 HG LEU 49 -12.576 6.756 24.096 326 1HD1 LEU 49 1HD1 LEU 49 -12.744 7.979 21.905 327 2HD1 LEU 49 2HD1 LEU 49 -12.934 6.420 21.103 328 3HD1 LEU 49 3HD1 LEU 49 -14.147 6.971 22.258 329 1HD2 LEU 49 1HD2 LEU 49 -11.789 4.210 23.269 330 2HD2 LEU 49 2HD2 LEU 49 -13.301 4.617 24.083 331 3HD2 LEU 49 3HD2 LEU 49 -13.241 4.537 22.323 332 H GLU 50 H GLU 50 -9.350 4.739 25.071 333 HA GLU 50 HA GLU 50 -11.526 4.159 26.875 334 1HB GLU 50 1HB GLU 50 -9.654 2.702 25.694 335 2HB GLU 50 2HB GLU 50 -8.755 3.041 27.173 336 1HG GLU 50 1HG GLU 50 -9.961 1.510 28.300 337 2HG GLU 50 2HG GLU 50 -11.463 2.309 27.838 338 H ALA 51 H ALA 51 -8.155 5.249 27.446 339 HA ALA 51 HA ALA 51 -8.513 5.606 30.295 340 1HB ALA 51 1HB ALA 51 -6.481 7.173 28.794 341 2HB ALA 51 2HB ALA 51 -6.272 6.115 30.190 342 3HB ALA 51 3HB ALA 51 -6.426 5.424 28.574 343 H ALA 52 H ALA 52 -8.851 7.694 27.472 344 HA ALA 52 HA ALA 52 -9.213 10.145 29.020 345 1HB ALA 52 1HB ALA 52 -9.026 9.239 26.247 346 2HB ALA 52 3HB ALA 52 -10.253 10.490 26.453 347 3HB ALA 52 2HB ALA 52 -8.587 10.801 26.943 348 H GLU 53 H GLU 53 -11.269 7.612 27.721 349 HA GLU 53 HA GLU 53 -13.777 9.036 27.930 350 1HB GLU 53 1HB GLU 53 -13.527 7.082 26.520 351 2HB GLU 53 2HB GLU 53 -12.988 6.109 27.888 352 1HG GLU 53 1HG GLU 53 -15.379 6.995 28.834 353 2HG GLU 53 2HG GLU 53 -15.730 6.923 27.108 354 H ALA 54 H ALA 54 -11.877 7.016 30.116 355 HA ALA 54 HA ALA 54 -13.885 6.827 32.197 356 1HB ALA 54 1HB ALA 54 -10.895 6.438 31.991 357 2HB ALA 54 3HB ALA 54 -11.743 6.221 33.521 358 3HB ALA 54 2HB ALA 54 -12.147 5.206 32.136 359 H GLN 55 H GLN 55 -11.954 9.403 31.094 360 HA GLN 55 HA GLN 55 -11.893 10.750 33.754 361 1HB GLN 55 1HB GLN 55 -10.749 11.608 31.079 362 2HB GLN 55 2HB GLN 55 -10.308 12.227 32.670 363 1HG GLN 55 1HG GLN 55 -10.008 9.300 31.996 364 2HG GLN 55 2HG GLN 55 -8.746 10.464 31.595 365 2HE2 GLN 55 2HE2 GLN 55 -7.778 11.692 33.448 366 1HE2 GLN 55 1HE2 GLN 55 -7.816 11.020 35.007 367 H GLY 56 H GLY 56 -13.367 10.947 30.554 368 1HA GLY 56 2HA GLY 56 -14.939 13.309 31.505 369 2HA GLY 56 1HA GLY 56 -15.666 11.999 30.575 370 H TYR 57 H TYR 57 -13.237 11.767 28.852 371 HA TYR 57 HA TYR 57 -13.293 14.369 27.393 372 1HB TYR 57 1HB TYR 57 -11.560 11.896 27.059 373 2HB TYR 57 2HB TYR 57 -11.276 13.474 26.321 374 HD1 TYR 57 HD1 TYR 57 -12.351 14.938 28.942 375 HD2 TYR 57 HD2 TYR 57 -9.352 11.968 28.170 376 HE1 TYR 57 HE1 TYR 57 -11.121 15.651 30.974 377 HE2 TYR 57 HE2 TYR 57 -8.123 12.674 30.194 378 HH TYR 57 HH TYR 57 -7.930 14.379 31.728 379 H ASP 58 H ASP 58 -15.145 14.321 26.102 380 HA ASP 58 HA ASP 58 -15.973 11.884 24.688 381 1HB ASP 58 1HB ASP 58 -17.453 13.700 25.685 382 2HB ASP 58 2HB ASP 58 -16.921 14.745 24.369 383 H TRP 59 H TRP 59 -16.092 11.771 22.328 384 HA TRP 59 HA TRP 59 -14.298 13.664 20.867 385 1HB TRP 59 1HB TRP 59 -14.225 10.628 20.794 386 2HB TRP 59 2HB TRP 59 -13.213 11.696 19.820 387 HD1 TRP 59 HD1 TRP 59 -13.937 10.888 23.520 388 HE1 TRP 59 HE1 TRP 59 -11.819 11.400 24.893 389 HE3 TRP 59 HE3 TRP 59 -10.956 12.842 19.859 390 HZ2 TRP 59 HZ2 TRP 59 -9.207 12.483 24.498 391 HZ3 TRP 59 HZ3 TRP 59 -8.658 13.605 20.390 392 HH2 TRP 59 HH2 TRP 59 -7.782 13.427 22.703 393 HA PRO 60 HA PRO 60 -17.503 13.413 17.887 394 1HB PRO 60 1HB PRO 60 -16.144 14.334 15.702 395 2HB PRO 60 2HB PRO 60 -16.640 15.376 17.047 396 1HG PRO 60 1HG PRO 60 -13.972 14.303 16.369 397 2HG PRO 60 2HG PRO 60 -14.410 15.796 17.206 398 1HD PRO 60 1HD PRO 60 -13.484 13.437 18.396 399 2HD PRO 60 2HD PRO 60 -14.229 14.815 19.229 400 H PHE 61 H PHE 61 -17.910 12.502 15.591 401 HA PHE 61 HA PHE 61 -18.028 10.521 14.296 402 1HB PHE 61 1HB PHE 61 -15.553 11.851 14.115 403 2HB PHE 61 2HB PHE 61 -15.150 10.138 14.219 404 HD1 PHE 61 HD1 PHE 61 -16.822 8.575 12.774 405 HD2 PHE 61 HD2 PHE 61 -15.953 12.708 11.989 406 HE1 PHE 61 HE1 PHE 61 -17.504 8.269 10.410 407 HE2 PHE 61 HE2 PHE 61 -16.635 12.401 9.623 408 HZ PHE 61 HZ PHE 61 -17.410 10.182 8.834 409 H SER 62 H SER 62 -18.757 9.500 16.506 410 HA SER 62 HA SER 62 -16.869 7.844 17.955 411 1HB SER 62 2HB SER 62 -19.887 7.626 17.722 412 2HB SER 62 1HB SER 62 -18.885 7.059 19.059 413 HG SER 62 HG SER 62 -19.726 9.031 19.630 414 H CYS 63 H CYS 63 -18.495 7.516 14.949 415 HA CYS 63 HA CYS 63 -18.989 5.616 13.590 416 1HB CYS 63 2HB CYS 63 -16.867 4.662 12.928 417 2HB CYS 63 1HB CYS 63 -16.589 6.353 13.342 418 H ARG 64 H ARG 64 -17.465 3.067 13.910 419 HA ARG 64 HA ARG 64 -18.244 1.917 16.482 420 1HB ARG 64 1HB ARG 64 -20.364 2.309 15.038 421 2HB ARG 64 2HB ARG 64 -19.764 0.980 14.045 422 1HG ARG 64 1HG ARG 64 -20.161 -0.591 15.670 423 2HG ARG 64 2HG ARG 64 -19.801 0.528 16.985 424 1HD ARG 64 1HD ARG 64 -22.162 1.400 15.531 425 2HD ARG 64 2HD ARG 64 -22.361 -0.258 16.126 426 HE ARG 64 HE ARG 64 -21.164 1.131 18.238 427 1HH1 ARG 64 1HH1 ARG 64 -24.184 0.591 16.801 428 2HH1 ARG 64 2HH1 ARG 64 -25.049 1.683 17.831 429 1HH2 ARG 64 1HH2 ARG 64 -22.197 2.907 19.376 430 2HH2 ARG 64 2HH2 ARG 64 -23.925 2.993 19.288 431 H ALA 65 H ALA 65 -15.768 1.845 15.296 432 HA ALA 65 HA ALA 65 -14.080 0.354 14.576 433 1HB ALA 65 1HB ALA 65 -16.268 -1.442 15.650 434 2HB ALA 65 3HB ALA 65 -14.699 -2.070 15.145 435 3HB ALA 65 2HB ALA 65 -14.800 -0.916 16.474 436 H GLY 66 H GLY 66 -15.460 1.352 12.432 437 1HA GLY 66 2HA GLY 66 -16.949 0.005 10.658 438 2HA GLY 66 1HA GLY 66 -15.477 -0.964 10.589 439 H ALA 67 H ALA 67 -17.022 1.475 9.036 440 HA ALA 67 HA ALA 67 -14.799 2.201 7.392 441 1HB ALA 67 1HB ALA 67 -17.631 2.772 7.717 442 2HB ALA 67 3HB ALA 67 -16.660 2.789 6.244 443 3HB ALA 67 2HB ALA 67 -16.747 4.229 7.260 444 H CYS 68 H CYS 68 -13.174 2.828 9.077 445 HA CYS 68 HA CYS 68 -13.378 5.726 9.689 446 1HB CYS 68 1HB CYS 68 -14.241 3.942 11.524 447 2HB CYS 68 2HB CYS 68 -12.524 3.956 11.927 448 H ALA 69 H ALA 69 -11.492 6.416 8.745 449 HA ALA 69 HA ALA 69 -9.030 4.745 9.033 450 1HB ALA 69 1HB ALA 69 -9.674 5.356 6.767 451 2HB ALA 69 3HB ALA 69 -9.832 7.051 7.227 452 3HB ALA 69 2HB ALA 69 -8.242 6.291 7.195 453 H ASN 70 H ASN 70 -10.530 7.717 10.026 454 HA ASN 70 HA ASN 70 -8.105 8.399 11.628 455 1HB ASN 70 1HB ASN 70 -8.294 10.726 10.875 456 2HB ASN 70 2HB ASN 70 -8.140 9.669 9.472 457 2HD2 ASN 70 2HD2 ASN 70 -10.389 8.926 8.546 458 1HD2 ASN 70 1HD2 ASN 70 -11.611 10.104 8.512 459 H CYS 71 H CYS 71 -8.716 8.861 13.724 460 HA CYS 71 HA CYS 71 -11.527 8.824 14.471 461 1HB CYS 71 1HB CYS 71 -8.924 9.346 15.930 462 2HB CYS 71 2HB CYS 71 -10.484 9.261 16.746 463 H ALA 72 H ALA 72 -9.552 11.212 16.067 464 HA ALA 72 HA ALA 72 -10.344 13.536 14.578 465 1HB ALA 72 1HB ALA 72 -12.211 12.365 16.590 466 2HB ALA 72 3HB ALA 72 -12.062 14.122 16.564 467 3HB ALA 72 2HB ALA 72 -12.573 13.258 15.114 468 H SER 73 H SER 73 -8.053 12.536 16.111 469 HA SER 73 HA SER 73 -7.891 14.622 18.263 470 1HB SER 73 1HB SER 73 -6.371 12.015 17.916 471 2HB SER 73 2HB SER 73 -6.277 13.091 19.308 472 HG SER 73 HG SER 73 -8.743 12.051 18.447 473 H ILE 74 H ILE 74 -6.515 16.287 17.756 474 HA ILE 74 HA ILE 74 -4.660 16.005 15.469 475 HB ILE 74 HB ILE 74 -5.403 18.338 17.264 476 1HG1 ILE 74 2HG1 ILE 74 -7.363 17.582 16.091 477 2HG1 ILE 74 1HG1 ILE 74 -6.762 18.994 15.222 478 1HG2 ILE 74 1HG2 ILE 74 -3.207 18.511 16.024 479 2HG2 ILE 74 2HG2 ILE 74 -4.115 18.352 14.521 480 3HG2 ILE 74 3HG2 ILE 74 -4.392 19.739 15.575 481 1HD1 ILE 74 1HD1 ILE 74 -5.380 17.109 13.911 482 2HD1 ILE 74 2HD1 ILE 74 -6.750 16.119 14.416 483 3HD1 ILE 74 3HD1 ILE 74 -7.017 17.559 13.434 484 H VAL 75 H VAL 75 -3.013 14.649 16.397 485 HA VAL 75 HA VAL 75 -1.768 14.983 18.921 486 HB VAL 75 HB VAL 75 -1.571 13.090 17.260 487 1HG1 VAL 75 1HG1 VAL 75 -1.072 14.793 15.366 488 2HG1 VAL 75 2HG1 VAL 75 0.586 14.749 15.962 489 3HG1 VAL 75 3HG1 VAL 75 -0.175 13.274 15.366 490 1HG2 VAL 75 1HG2 VAL 75 -0.026 13.383 19.217 491 2HG2 VAL 75 2HG2 VAL 75 0.722 12.549 17.856 492 3HG2 VAL 75 3HG2 VAL 75 1.084 14.248 18.154 493 H LYS 76 H LYS 76 -0.602 16.700 19.684 494 HA LYS 76 HA LYS 76 0.474 18.715 17.796 495 1HB LYS 76 1HB LYS 76 -0.616 18.617 20.435 496 2HB LYS 76 2HB LYS 76 1.032 19.230 20.565 497 1HG LYS 76 2HG LYS 76 -0.344 21.146 20.181 498 2HG LYS 76 1HG LYS 76 0.447 20.809 18.641 499 1HD LYS 76 1HD LYS 76 -1.833 19.241 18.521 500 2HD LYS 76 2HD LYS 76 -2.399 20.697 19.341 501 1HE LYS 76 1HE LYS 76 -0.629 21.169 17.003 502 2HE LYS 76 2HE LYS 76 -2.233 20.507 16.634 503 1HZ LYS 76 1HZ LYS 76 -3.167 22.212 18.149 504 2HZ LYS 76 2HZ LYS 76 -1.621 22.901 18.292 505 3HZ LYS 76 3HZ LYS 76 -2.408 22.884 16.787 506 H GLU 77 H GLU 77 1.549 15.945 19.474 507 HA GLU 77 HA GLU 77 4.241 16.106 18.535 508 1HB GLU 77 1HB GLU 77 4.567 17.938 20.015 509 2HB GLU 77 2HB GLU 77 3.626 17.172 21.297 510 1HG GLU 77 1HG GLU 77 5.347 15.532 21.683 511 2HG GLU 77 2HG GLU 77 6.229 16.034 20.241 512 H GLY 78 H GLY 78 5.542 14.282 19.377 513 1HA GLY 78 2HA GLY 78 4.240 12.419 21.244 514 2HA GLY 78 1HA GLY 78 5.831 12.209 20.513 515 H GLU 79 H GLU 79 4.000 10.083 20.584 516 HA GLU 79 HA GLU 79 2.587 9.928 18.011 517 1HB GLU 79 1HB GLU 79 4.910 9.670 17.317 518 2HB GLU 79 2HB GLU 79 5.178 8.444 18.556 519 1HG GLU 79 1HG GLU 79 4.110 6.812 17.360 520 2HG GLU 79 2HG GLU 79 2.920 7.933 16.698 521 H ILE 80 H ILE 80 1.308 7.986 17.871 522 HA ILE 80 HA ILE 80 1.167 6.417 20.426 523 HB ILE 80 HB ILE 80 -0.937 7.353 18.453 524 1HG1 ILE 80 1HG1 ILE 80 -0.651 7.838 21.431 525 2HG1 ILE 80 2HG1 ILE 80 -0.067 8.955 20.197 526 1HG2 ILE 80 1HG2 ILE 80 -1.049 4.934 19.692 527 2HG2 ILE 80 2HG2 ILE 80 -1.750 5.961 20.941 528 3HG2 ILE 80 3HG2 ILE 80 -2.474 5.907 19.335 529 1HD1 ILE 80 1HD1 ILE 80 -2.906 8.005 20.048 530 2HD1 ILE 80 2HD1 ILE 80 -2.490 9.243 21.232 531 3HD1 ILE 80 3HD1 ILE 80 -2.211 9.536 19.515 532 H ASP 81 H ASP 81 1.424 4.216 20.197 533 HA ASP 81 HA ASP 81 1.979 3.099 17.544 534 1HB ASP 81 1HB ASP 81 3.283 2.480 19.515 535 2HB ASP 81 2HB ASP 81 1.824 1.934 20.342 536 H MET 82 H MET 82 0.682 1.592 16.437 537 HA MET 82 HA MET 82 -2.089 1.211 17.527 538 1HB MET 82 1HB MET 82 -1.423 2.608 15.358 539 2HB MET 82 2HB MET 82 -1.403 1.007 14.619 540 1HG MET 82 1HG MET 82 -3.734 1.080 16.199 541 2HG MET 82 2HG MET 82 -3.675 2.635 15.372 542 1HE MET 82 1HE MET 82 -3.955 3.191 13.493 543 2HE MET 82 2HE MET 82 -3.447 2.350 12.023 544 3HE MET 82 3HE MET 82 -5.143 2.353 12.498 545 H ASP 83 H ASP 83 -3.017 -0.765 15.928 546 HA ASP 83 HA ASP 83 -1.400 -3.100 16.764 547 1HB ASP 83 1HB ASP 83 -4.135 -2.418 16.486 548 2HB ASP 83 2HB ASP 83 -3.824 -3.691 15.306 549 H MET 84 H MET 84 -1.670 -4.988 14.967 550 HA MET 84 HA MET 84 0.015 -4.264 12.758 551 1HB MET 84 1HB MET 84 -0.815 -6.546 14.044 552 2HB MET 84 2HB MET 84 -1.680 -6.670 12.513 553 1HG MET 84 2HG MET 84 0.533 -7.740 12.348 554 2HG MET 84 1HG MET 84 0.445 -6.330 11.293 555 1HE MET 84 1HE MET 84 1.880 -5.066 10.941 556 2HE MET 84 2HE MET 84 2.056 -3.783 12.136 557 3HE MET 84 3HE MET 84 3.435 -4.805 11.744 558 H GLN 85 H GLN 85 -1.037 -2.548 11.581 559 HA GLN 85 HA GLN 85 -3.051 -3.481 9.649 560 1HB GLN 85 1HB GLN 85 -3.802 -2.280 12.102 561 2HB GLN 85 2HB GLN 85 -4.051 -1.055 10.857 562 1HG GLN 85 2HG GLN 85 -5.928 -2.115 10.212 563 2HG GLN 85 1HG GLN 85 -4.969 -3.538 9.803 564 2HE2 GLN 85 2HE2 GLN 85 -6.197 -5.232 10.715 565 1HE2 GLN 85 1HE2 GLN 85 -6.659 -5.300 12.347 566 H GLN 86 H GLN 86 -3.720 -1.417 8.268 567 HA GLN 86 HA GLN 86 -1.667 0.693 8.158 568 1HB GLN 86 1HB GLN 86 -1.167 -1.711 6.914 569 2HB GLN 86 2HB GLN 86 -1.906 -0.780 5.612 570 1HG GLN 86 1HG GLN 86 -0.158 0.689 5.493 571 2HG GLN 86 2HG GLN 86 0.110 0.666 7.236 572 2HE2 GLN 86 2HE2 GLN 86 1.694 -0.101 4.481 573 1HE2 GLN 86 1HE2 GLN 86 2.593 -1.443 5.003 574 H ILE 87 H ILE 87 -3.453 2.161 8.273 575 HA ILE 87 HA ILE 87 -5.191 2.199 5.825 576 HB ILE 87 HB ILE 87 -5.920 2.915 8.684 577 1HG1 ILE 87 1HG1 ILE 87 -7.403 0.717 7.570 578 2HG1 ILE 87 2HG1 ILE 87 -5.679 0.373 7.438 579 1HG2 ILE 87 1HG2 ILE 87 -7.129 3.499 6.145 580 2HG2 ILE 87 2HG2 ILE 87 -8.170 2.383 7.028 581 3HG2 ILE 87 3HG2 ILE 87 -7.707 3.921 7.756 582 1HD1 ILE 87 1HD1 ILE 87 -7.017 1.328 9.986 583 2HD1 ILE 87 2HD1 ILE 87 -6.707 -0.369 9.619 584 3HD1 ILE 87 3HD1 ILE 87 -5.359 0.753 9.808 585 H LEU 88 H LEU 88 -4.678 4.363 8.627 586 HA LEU 88 HA LEU 88 -4.887 6.790 7.158 587 1HB LEU 88 1HB LEU 88 -3.975 7.764 9.209 588 2HB LEU 88 2HB LEU 88 -5.071 6.449 9.632 589 HG LEU 88 HG LEU 88 -2.567 5.227 9.271 590 1HD1 LEU 88 1HD1 LEU 88 -2.375 7.921 10.610 591 2HD1 LEU 88 2HD1 LEU 88 -1.298 6.603 11.075 592 3HD1 LEU 88 3HD1 LEU 88 -1.293 7.204 9.416 593 1HD2 LEU 88 1HD2 LEU 88 -4.041 6.084 11.779 594 2HD2 LEU 88 2HD2 LEU 88 -4.239 4.560 10.915 595 3HD2 LEU 88 3HD2 LEU 88 -2.724 4.911 11.746 596 H SER 89 H SER 89 -3.191 8.280 6.512 597 HA SER 89 HA SER 89 -0.650 6.899 5.740 598 1HB SER 89 1HB SER 89 -2.341 7.976 4.092 599 2HB SER 89 2HB SER 89 -1.724 9.518 4.686 600 HG SER 89 HG SER 89 -0.457 9.005 2.983 601 H ASP 90 H ASP 90 1.319 7.776 6.413 602 HA ASP 90 HA ASP 90 1.615 9.222 8.765 603 1HB ASP 90 1HB ASP 90 3.252 8.046 7.005 604 2HB ASP 90 2HB ASP 90 3.537 9.720 6.532 605 H GLU 91 H GLU 91 1.120 10.512 5.508 606 HA GLU 91 HA GLU 91 1.762 13.237 5.966 607 1HB GLU 91 1HB GLU 91 1.367 12.411 3.756 608 2HB GLU 91 2HB GLU 91 -0.231 11.804 4.193 609 1HG GLU 91 1HG GLU 91 -1.200 13.828 3.876 610 2HG GLU 91 2HG GLU 91 0.098 14.672 4.719 611 H GLU 92 H GLU 92 -1.194 11.407 6.665 612 HA GLU 92 HA GLU 92 -2.816 13.689 7.385 613 1HB GLU 92 1HB GLU 92 -3.208 11.045 6.880 614 2HB GLU 92 2HB GLU 92 -3.296 11.041 8.641 615 1HG GLU 92 1HG GLU 92 -5.468 11.640 8.316 616 2HG GLU 92 2HG GLU 92 -4.804 13.247 8.025 617 H VAL 93 H VAL 93 -0.595 11.581 9.165 618 HA VAL 93 HA VAL 93 -1.340 12.651 11.788 619 HB VAL 93 HB VAL 93 1.031 11.015 10.822 620 1HG1 VAL 93 1HG1 VAL 93 0.896 12.268 13.191 621 2HG1 VAL 93 2HG1 VAL 93 -0.065 10.843 13.591 622 3HG1 VAL 93 3HG1 VAL 93 1.595 10.656 13.027 623 1HG2 VAL 93 1HG2 VAL 93 -1.299 10.083 10.388 624 2HG2 VAL 93 2HG2 VAL 93 -0.256 9.072 11.389 625 3HG2 VAL 93 3HG2 VAL 93 -1.519 10.049 12.137 626 H GLU 94 H GLU 94 1.028 13.386 9.295 627 HA GLU 94 HA GLU 94 2.553 15.187 11.089 628 1HB GLU 94 1HB GLU 94 2.841 13.871 8.454 629 2HB GLU 94 2HB GLU 94 3.574 15.471 8.567 630 1HG GLU 94 1HG GLU 94 4.534 14.568 10.838 631 2HG GLU 94 2HG GLU 94 4.203 12.985 10.136 632 H GLU 95 H GLU 95 0.380 15.363 8.274 633 HA GLU 95 HA GLU 95 0.550 18.324 8.252 634 1HB GLU 95 1HB GLU 95 0.336 16.422 6.319 635 2HB GLU 95 2HB GLU 95 -1.364 16.842 6.533 636 1HG GLU 95 1HG GLU 95 -0.017 19.300 6.536 637 2HG GLU 95 2HG GLU 95 0.757 18.367 5.255 638 H LYS 96 H LYS 96 -1.942 15.782 8.676 639 HA LYS 96 HA LYS 96 -3.894 17.808 9.600 640 1HB LYS 96 1HB LYS 96 -3.865 14.928 8.786 641 2HB LYS 96 2HB LYS 96 -5.186 15.481 9.815 642 1HG LYS 96 1HG LYS 96 -4.541 17.267 7.549 643 2HG LYS 96 2HG LYS 96 -5.179 15.689 7.088 644 1HD LYS 96 1HD LYS 96 -6.881 16.286 9.100 645 2HD LYS 96 2HD LYS 96 -6.502 17.918 8.546 646 1HE LYS 96 2HE LYS 96 -8.407 17.184 7.255 647 2HE LYS 96 1HE LYS 96 -7.007 17.069 6.172 648 1HZ LYS 96 1HZ LYS 96 -6.847 14.725 7.389 649 2HZ LYS 96 2HZ LYS 96 -8.528 14.946 7.484 650 3HZ LYS 96 3HZ LYS 96 -7.756 14.946 5.971 651 H ASP 97 H ASP 97 -1.532 15.728 10.954 652 HA ASP 97 HA ASP 97 -1.004 15.219 13.203 653 1HB ASP 97 1HB ASP 97 -2.533 17.728 13.112 654 2HB ASP 97 2HB ASP 97 -2.609 16.921 14.678 655 H VAL 98 H VAL 98 -3.617 14.158 11.785 656 HA VAL 98 HA VAL 98 -5.427 13.609 14.014 657 HB VAL 98 HB VAL 98 -5.132 12.533 11.189 658 1HG1 VAL 98 1HG1 VAL 98 -6.789 11.639 13.409 659 2HG1 VAL 98 2HG1 VAL 98 -7.773 12.195 12.056 660 3HG1 VAL 98 3HG1 VAL 98 -6.580 10.919 11.813 661 1HG2 VAL 98 1HG2 VAL 98 -5.754 15.017 11.749 662 2HG2 VAL 98 2HG2 VAL 98 -6.720 14.139 10.565 663 3HG2 VAL 98 3HG2 VAL 98 -7.312 14.335 12.214 664 H ARG 99 H ARG 99 -5.762 11.469 14.954 665 HA ARG 99 HA ARG 99 -3.755 9.370 14.384 666 1HB ARG 99 1HB ARG 99 -2.775 11.131 15.947 667 2HB ARG 99 2HB ARG 99 -3.976 10.620 17.133 668 1HG ARG 99 2HG ARG 99 -1.935 9.398 17.576 669 2HG ARG 99 1HG ARG 99 -3.100 8.267 16.886 670 1HD ARG 99 1HD ARG 99 -1.881 9.237 14.620 671 2HD ARG 99 2HD ARG 99 -0.536 9.218 15.777 672 HE ARG 99 HE ARG 99 -2.052 6.802 16.060 673 1HH1 ARG 99 1HH1 ARG 99 -0.984 8.075 13.173 674 2HH1 ARG 99 2HH1 ARG 99 0.121 6.795 12.799 675 1HH2 ARG 99 1HH2 ARG 99 -0.167 5.286 15.909 676 2HH2 ARG 99 2HH2 ARG 99 0.584 5.215 14.350 677 H LEU 100 H LEU 100 -4.227 7.373 15.630 678 HA LEU 100 HA LEU 100 -7.115 6.953 15.955 679 1HB LEU 100 1HB LEU 100 -4.802 5.469 15.297 680 2HB LEU 100 2HB LEU 100 -5.399 4.779 16.806 681 HG LEU 100 HG LEU 100 -6.424 3.694 14.819 682 1HD1 LEU 100 1HD1 LEU 100 -8.101 5.301 16.734 683 2HD1 LEU 100 2HD1 LEU 100 -8.874 4.304 15.501 684 3HD1 LEU 100 3HD1 LEU 100 -7.818 3.560 16.702 685 1HD2 LEU 100 1HD2 LEU 100 -6.425 6.220 13.750 686 2HD2 LEU 100 2HD2 LEU 100 -7.367 4.870 13.116 687 3HD2 LEU 100 3HD2 LEU 100 -8.117 6.032 14.212 688 H THR 101 H THR 101 -8.162 7.117 17.907 689 HA THR 101 HA THR 101 -6.501 6.973 20.404 690 HB THR 101 HB THR 101 -8.440 8.564 21.197 691 HG1 THR 101 HG1 THR 101 -9.750 9.092 19.668 692 1HG2 THR 101 1HG2 THR 101 -5.981 9.104 20.782 693 2HG2 THR 101 2HG2 THR 101 -6.471 9.652 19.179 694 3HG2 THR 101 3HG2 THR 101 -7.104 10.454 20.617 695 H CYS 102 H CYS 102 -9.300 5.854 18.685 696 HA CYS 102 HA CYS 102 -10.873 4.926 20.914 697 1HB CYS 102 1HB CYS 102 -10.638 3.983 18.037 698 2HB CYS 102 2HB CYS 102 -11.964 3.582 19.129 699 H ILE 103 H ILE 103 -8.405 3.352 18.867 700 HA ILE 103 HA ILE 103 -8.107 1.268 20.997 701 HB ILE 103 HB ILE 103 -7.862 -0.361 19.067 702 1HG1 ILE 103 1HG1 ILE 103 -8.918 2.027 17.523 703 2HG1 ILE 103 2HG1 ILE 103 -7.341 1.265 17.312 704 1HG2 ILE 103 1HG2 ILE 103 -10.363 1.096 19.803 705 2HG2 ILE 103 2HG2 ILE 103 -10.444 -0.032 18.448 706 3HG2 ILE 103 3HG2 ILE 103 -9.942 -0.600 20.041 707 1HD1 ILE 103 1HD1 ILE 103 -9.086 -0.871 17.096 708 2HD1 ILE 103 2HD1 ILE 103 -9.966 0.433 16.299 709 3HD1 ILE 103 3HD1 ILE 103 -8.354 -0.013 15.740 710 H GLY 104 H GLY 104 -6.491 3.674 20.348 711 1HA GLY 104 2HA GLY 104 -4.307 4.095 19.258 712 2HA GLY 104 1HA GLY 104 -3.996 2.362 19.353 713 H SER 105 H SER 105 -1.967 3.356 20.442 714 HA SER 105 HA SER 105 -2.476 4.035 23.306 715 1HB SER 105 1HB SER 105 -1.237 1.612 22.107 716 2HB SER 105 2HB SER 105 -0.414 2.286 23.515 717 HG SER 105 HG SER 105 -3.201 1.814 23.443 718 HA PRO 106 HA PRO 106 0.804 6.857 22.408 719 1HB PRO 106 1HB PRO 106 1.436 7.553 24.978 720 2HB PRO 106 2HB PRO 106 -0.015 8.142 24.145 721 1HG PRO 106 1HG PRO 106 0.272 5.956 26.151 722 2HG PRO 106 2HG PRO 106 -1.018 7.153 25.966 723 1HD PRO 106 1HD PRO 106 -1.213 4.556 25.122 724 2HD PRO 106 2HD PRO 106 -2.121 5.899 24.399 725 H ALA 107 H ALA 107 2.978 6.496 22.032 726 HA ALA 107 HA ALA 107 4.294 4.278 23.549 727 1HB ALA 107 1HB ALA 107 4.760 5.533 20.828 728 2HB ALA 107 3HB ALA 107 4.092 3.934 21.155 729 3HB ALA 107 2HB ALA 107 5.786 4.272 21.511 730 H ALA 108 H ALA 108 4.723 7.613 22.421 731 HA ALA 108 HA ALA 108 7.391 7.899 23.568 732 1HB ALA 108 1HB ALA 108 7.145 9.425 21.889 733 2HB ALA 108 3HB ALA 108 6.404 10.425 23.139 734 3HB ALA 108 2HB ALA 108 5.391 9.465 22.062 735 H ASP 109 H ASP 109 7.918 8.867 25.551 736 HA ASP 109 HA ASP 109 6.273 8.619 27.794 737 1HB ASP 109 1HB ASP 109 8.816 9.594 27.125 738 2HB ASP 109 2HB ASP 109 8.026 10.939 27.949 739 H GLU 110 H GLU 110 6.866 11.670 25.989 740 HA GLU 110 HA GLU 110 4.377 12.780 27.224 741 1HB GLU 110 1HB GLU 110 7.038 13.728 26.689 742 2HB GLU 110 2HB GLU 110 5.890 14.727 25.798 743 1HG GLU 110 1HG GLU 110 5.388 14.029 28.685 744 2HG GLU 110 2HG GLU 110 6.448 15.374 28.261 745 H VAL 111 H VAL 111 2.612 12.734 25.901 746 HA VAL 111 HA VAL 111 3.042 13.064 22.948 747 HB VAL 111 HB VAL 111 0.861 11.431 24.267 748 1HG1 VAL 111 1HG1 VAL 111 1.999 11.746 21.500 749 2HG1 VAL 111 2HG1 VAL 111 1.194 10.245 21.956 750 3HG1 VAL 111 3HG1 VAL 111 0.313 11.772 22.015 751 1HG2 VAL 111 1HG2 VAL 111 3.638 10.557 23.415 752 2HG2 VAL 111 2HG2 VAL 111 2.961 10.487 25.042 753 3HG2 VAL 111 3HG2 VAL 111 2.317 9.445 23.773 754 H LYS 112 H LYS 112 2.180 15.041 22.411 755 HA LYS 112 HA LYS 112 -0.145 16.076 23.967 756 1HB LYS 112 2HB LYS 112 1.732 17.385 21.971 757 2HB LYS 112 1HB LYS 112 0.535 18.223 22.960 758 1HG LYS 112 1HG LYS 112 2.145 16.566 24.664 759 2HG LYS 112 2HG LYS 112 3.210 17.549 23.659 760 1HD LYS 112 1HD LYS 112 1.679 19.528 24.292 761 2HD LYS 112 2HD LYS 112 1.049 18.472 25.557 762 1HE LYS 112 1HE LYS 112 2.940 19.913 26.366 763 2HE LYS 112 2HE LYS 112 3.329 18.186 26.468 764 1HZ LYS 112 1HZ LYS 112 3.858 19.527 23.929 765 2HZ LYS 112 2HZ LYS 112 4.894 19.916 25.218 766 3HZ LYS 112 3HZ LYS 112 4.740 18.303 24.710 767 H ILE 113 H ILE 113 -2.104 16.522 22.941 768 HA ILE 113 HA ILE 113 -2.374 16.409 20.018 769 HB ILE 113 HB ILE 113 -2.287 14.046 20.606 770 1HG1 ILE 113 1HG1 ILE 113 -5.186 14.127 20.391 771 2HG1 ILE 113 2HG1 ILE 113 -4.431 15.299 19.313 772 1HG2 ILE 113 1HG2 ILE 113 -4.258 14.911 22.717 773 2HG2 ILE 113 2HG2 ILE 113 -4.197 13.234 22.175 774 3HG2 ILE 113 3HG2 ILE 113 -2.775 13.975 22.912 775 1HD1 ILE 113 1HD1 ILE 113 -2.830 13.046 19.034 776 2HD1 ILE 113 2HD1 ILE 113 -4.459 12.378 19.152 777 3HD1 ILE 113 3HD1 ILE 113 -4.081 13.565 17.904 778 H VAL 114 H VAL 114 -4.482 17.166 19.343 779 HA VAL 114 HA VAL 114 -5.995 18.538 21.526 780 HB VAL 114 HB VAL 114 -5.033 19.213 18.877 781 1HG1 VAL 114 1HG1 VAL 114 -7.327 18.597 18.143 782 2HG1 VAL 114 2HG1 VAL 114 -7.991 19.717 19.333 783 3HG1 VAL 114 3HG1 VAL 114 -7.027 20.329 17.989 784 1HG2 VAL 114 1HG2 VAL 114 -5.454 20.407 21.364 785 2HG2 VAL 114 2HG2 VAL 114 -4.829 21.202 19.918 786 3HG2 VAL 114 3HG2 VAL 114 -6.553 21.264 20.282 787 H TYR 115 H TYR 115 -8.365 18.408 21.443 788 HA TYR 115 HA TYR 115 -9.317 15.974 19.971 789 1HB TYR 115 2HB TYR 115 -10.130 15.225 21.953 790 2HB TYR 115 1HB TYR 115 -9.140 16.472 22.697 791 HD1 TYR 115 HD1 TYR 115 -10.134 18.645 23.361 792 HD2 TYR 115 HD2 TYR 115 -12.529 15.430 21.818 793 HE1 TYR 115 HE1 TYR 115 -12.173 19.755 24.217 794 HE2 TYR 115 HE2 TYR 115 -14.574 16.546 22.674 795 HH TYR 115 HH TYR 115 -15.321 18.780 23.303 796 H ASN 116 H ASN 116 -11.922 16.134 19.925 797 HA ASN 116 HA ASN 116 -13.828 17.274 19.110 798 1HB ASN 116 1HB ASN 116 -12.268 19.209 20.575 799 2HB ASN 116 2HB ASN 116 -12.961 19.981 19.152 800 2HD2 ASN 116 2HD2 ASN 116 -14.032 20.888 21.476 801 1HD2 ASN 116 1HD2 ASN 116 -15.563 20.215 21.770 802 H ALA 117 H ALA 117 -11.325 16.564 17.493 803 HA ALA 117 HA ALA 117 -10.562 18.284 15.493 804 1HB ALA 117 1HB ALA 117 -9.866 15.972 15.601 805 2HB ALA 117 2HB ALA 117 -11.514 15.415 15.311 806 3HB ALA 117 3HB ALA 117 -10.619 16.224 14.026 807 H LYS 118 H LYS 118 -13.804 17.016 15.960 808 HA LYS 118 HA LYS 118 -15.055 17.272 13.518 809 1HB LYS 118 2HB LYS 118 -17.045 17.753 14.799 810 2HB LYS 118 1HB LYS 118 -16.019 16.724 15.798 811 1HG LYS 118 1HG LYS 118 -15.214 18.648 17.045 812 2HG LYS 118 2HG LYS 118 -16.067 19.751 15.966 813 1HD LYS 118 1HD LYS 118 -18.192 18.402 16.668 814 2HD LYS 118 2HD LYS 118 -17.202 17.874 18.029 815 1HE LYS 118 1HE LYS 118 -16.891 20.137 18.790 816 2HE LYS 118 2HE LYS 118 -17.577 20.798 17.293 817 H HIS 119 H HIS 119 -13.662 19.877 15.419 818 HA HIS 119 HA HIS 119 -15.020 22.095 14.227 819 1HB HIS 119 1HB HIS 119 -13.004 23.308 15.077 820 2HB HIS 119 2HB HIS 119 -13.679 22.205 16.276 821 HD1 HIS 119 HD1 HIS 119 -11.065 22.000 13.488 822 HD2 HIS 119 HD2 HIS 119 -11.719 20.605 17.365 823 HE1 HIS 119 HE1 HIS 119 -9.013 20.657 14.122 824 H LEU 120 H LEU 120 -12.449 20.010 13.089 825 HA LEU 120 HA LEU 120 -11.226 21.689 11.145 826 1HB LEU 120 1HB LEU 120 -11.133 19.033 12.041 827 2HB LEU 120 2HB LEU 120 -11.522 18.911 10.326 828 HG LEU 120 HG LEU 120 -9.314 20.721 11.303 829 1HD1 LEU 120 1HD1 LEU 120 -8.868 18.419 12.126 830 2HD1 LEU 120 2HD1 LEU 120 -9.063 17.811 10.481 831 3HD1 LEU 120 3HD1 LEU 120 -7.729 18.897 10.866 832 1HD2 LEU 120 1HD2 LEU 120 -10.245 20.937 8.979 833 2HD2 LEU 120 2HD2 LEU 120 -8.536 20.500 9.012 834 3HD2 LEU 120 3HD2 LEU 120 -9.754 19.270 8.676 835 H ASP 121 H ASP 121 -12.161 22.636 9.380 836 HA ASP 121 HA ASP 121 -14.787 22.387 8.486 837 1HB ASP 121 1HB ASP 121 -13.332 24.139 7.718 838 2HB ASP 121 2HB ASP 121 -12.196 22.978 7.033 839 H TYR 122 H TYR 122 -12.078 20.237 7.864 840 HA TYR 122 HA TYR 122 -13.200 18.830 5.613 841 1HB TYR 122 1HB TYR 122 -10.794 18.950 6.669 842 2HB TYR 122 2HB TYR 122 -11.366 17.602 7.654 843 HD1 TYR 122 HD1 TYR 122 -10.840 18.760 4.158 844 HD2 TYR 122 HD2 TYR 122 -11.620 15.412 6.734 845 HE1 TYR 122 HE1 TYR 122 -10.445 17.210 2.263 846 HE2 TYR 122 HE2 TYR 122 -11.225 13.862 4.839 847 HH TYR 122 HH TYR 122 -11.286 14.711 1.729 848 H LEU 123 H LEU 123 -13.367 18.340 9.122 849 HA LEU 123 HA LEU 123 -14.890 15.847 8.888 850 1HB LEU 123 1HB LEU 123 -13.693 17.585 10.962 851 2HB LEU 123 2HB LEU 123 -15.137 16.712 11.474 852 HG LEU 123 HG LEU 123 -13.175 15.119 9.927 853 1HD1 LEU 123 1HD1 LEU 123 -12.537 16.414 12.564 854 2HD1 LEU 123 2HD1 LEU 123 -11.928 14.796 12.218 855 3HD1 LEU 123 3HD1 LEU 123 -11.485 16.147 11.175 856 1HD2 LEU 123 1HD2 LEU 123 -15.343 14.744 11.744 857 2HD2 LEU 123 2HD2 LEU 123 -14.418 13.510 10.888 858 3HD2 LEU 123 3HD2 LEU 123 -13.899 14.051 12.485 859 H GLN 124 H GLN 124 -15.585 19.268 9.543 860 HA GLN 124 HA GLN 124 -18.316 19.005 10.327 861 1HB GLN 124 1HB GLN 124 -16.421 21.003 9.903 862 2HB GLN 124 2HB GLN 124 -17.668 21.358 8.708 863 1HG GLN 124 1HG GLN 124 -19.385 21.259 10.497 864 2HG GLN 124 2HG GLN 124 -18.114 20.956 11.683 865 2HE2 GLN 124 2HE2 GLN 124 -16.970 22.769 12.485 866 1HE2 GLN 124 1HE2 GLN 124 -17.194 24.354 11.921 867 H ASN 125 H ASN 125 -16.761 18.923 7.177 868 HA ASN 125 HA ASN 125 -18.942 19.468 5.459 869 1HB ASN 125 1HB ASN 125 -16.424 17.849 5.375 870 2HB ASN 125 2HB ASN 125 -17.567 17.683 4.042 871 2HD2 ASN 125 2HD2 ASN 125 -18.500 20.151 3.506 872 1HD2 ASN 125 1HD2 ASN 125 -17.251 21.263 3.217 873 H ARG 126 H ARG 126 -18.406 16.760 7.561 874 HA ARG 126 HA ARG 126 -20.407 15.090 6.108 875 1HB ARG 126 1HB ARG 126 -18.009 14.645 7.562 876 2HB ARG 126 2HB ARG 126 -19.312 13.926 8.509 877 1HG ARG 126 1HG ARG 126 -19.299 13.449 5.556 878 2HG ARG 126 2HG ARG 126 -18.125 12.574 6.540 879 1HD ARG 126 1HD ARG 126 -19.736 11.240 7.457 880 2HD ARG 126 2HD ARG 126 -20.859 12.597 7.664 881 HE ARG 126 HE ARG 126 -20.809 12.303 4.939 882 1HH1 ARG 126 1HH1 ARG 126 -20.127 9.506 6.523 883 2HH1 ARG 126 2HH1 ARG 126 -21.578 8.661 6.095 884 1HH2 ARG 126 1HH2 ARG 126 -23.152 11.474 4.817 885 2HH2 ARG 126 2HH2 ARG 126 -23.290 9.776 5.129 886 H VAL 127 H VAL 127 -19.948 16.951 9.054 887 HA VAL 127 HA VAL 127 -22.084 15.865 10.619 888 HB VAL 127 HB VAL 127 -20.744 18.578 10.443 889 1HG1 VAL 127 1HG1 VAL 127 -23.004 18.826 11.412 890 2HG1 VAL 127 2HG1 VAL 127 -22.650 17.534 12.560 891 3HG1 VAL 127 3HG1 VAL 127 -21.760 19.055 12.641 892 1HG2 VAL 127 1HG2 VAL 127 -19.898 16.093 11.415 893 2HG2 VAL 127 2HG2 VAL 127 -19.166 17.658 11.770 894 3HG2 VAL 127 3HG2 VAL 127 -20.384 16.987 12.856 895 H ILE 128 H ILE 128 -24.292 16.427 10.696 896 HA ILE 128 HA ILE 128 -25.459 17.528 8.262 897 HB ILE 128 HB ILE 128 -26.751 16.899 10.932 898 1HG1 ILE 128 1HG1 ILE 128 -26.071 15.062 8.614 899 2HG1 ILE 128 2HG1 ILE 128 -25.386 14.990 10.239 900 1HG2 ILE 128 1HG2 ILE 128 -27.767 17.901 8.506 901 2HG2 ILE 128 2HG2 ILE 128 -28.206 16.192 8.526 902 3HG2 ILE 128 3HG2 ILE 128 -28.700 17.245 9.852 903 1HD1 ILE 128 1HD1 ILE 128 -28.366 14.860 9.902 904 2HD1 ILE 128 2HD1 ILE 128 -27.402 13.416 9.592 905 3HD1 ILE 128 3HD1 ILE 128 -27.358 14.182 11.180 No H/Q in entry = 905 Start of MODEL 16 1 H2 PRO 1 H2 PRO 1 1.954 6.022 31.567 2 H3 PRO 1 H3 PRO 1 3.560 5.520 31.312 3 HA PRO 1 HA PRO 1 3.887 7.348 30.113 4 1HB PRO 1 1HB PRO 1 2.272 7.130 27.916 5 2HB PRO 1 2HB PRO 1 3.706 6.116 28.166 6 1HG PRO 1 1HG PRO 1 0.829 5.491 28.633 7 2HG PRO 1 2HG PRO 1 2.109 4.469 27.961 8 1HD PRO 1 1HD PRO 1 1.222 4.274 30.531 9 2HD PRO 1 2HD PRO 1 2.873 3.854 30.033 10 H THR 2 H THR 2 3.127 9.504 29.833 11 HA THR 2 HA THR 2 0.299 9.980 30.721 12 HB THR 2 HB THR 2 2.838 11.609 31.074 13 HG1 THR 2 HG1 THR 2 1.316 10.690 33.198 14 1HG2 THR 2 1HG2 THR 2 0.650 12.900 30.781 15 2HG2 THR 2 2HG2 THR 2 0.124 12.146 32.287 16 3HG2 THR 2 3HG2 THR 2 1.536 13.202 32.276 17 H VAL 3 H VAL 3 -0.969 11.203 29.350 18 HA VAL 3 HA VAL 3 0.384 12.439 26.973 19 HB VAL 3 HB VAL 3 -2.439 11.358 27.200 20 1HG1 VAL 3 1HG1 VAL 3 -0.677 12.371 24.984 21 2HG1 VAL 3 2HG1 VAL 3 -1.928 11.180 24.630 22 3HG1 VAL 3 3HG1 VAL 3 -2.369 12.744 25.316 23 1HG2 VAL 3 1HG2 VAL 3 0.175 10.014 26.628 24 2HG2 VAL 3 2HG2 VAL 3 -1.236 9.395 27.486 25 3HG2 VAL 3 3HG2 VAL 3 -1.249 9.496 25.725 26 H GLU 4 H GLU 4 -1.066 14.254 26.022 27 HA GLU 4 HA GLU 4 -2.421 15.780 28.219 28 1HB GLU 4 1HB GLU 4 0.078 16.280 27.098 29 2HB GLU 4 2HB GLU 4 -0.990 17.389 26.236 30 1HG GLU 4 1HG GLU 4 -1.317 18.673 28.076 31 2HG GLU 4 2HG GLU 4 -1.521 17.269 29.122 32 H TYR 5 H TYR 5 -4.507 16.151 27.573 33 HA TYR 5 HA TYR 5 -5.105 16.267 24.647 34 1HB TYR 5 2HB TYR 5 -7.376 15.738 25.368 35 2HB TYR 5 1HB TYR 5 -6.258 14.638 26.175 36 HD1 TYR 5 HD1 TYR 5 -8.487 17.542 26.600 37 HD2 TYR 5 HD2 TYR 5 -5.776 14.846 28.560 38 HE1 TYR 5 HE1 TYR 5 -9.304 18.324 28.808 39 HE2 TYR 5 HE2 TYR 5 -6.592 15.628 30.765 40 HH TYR 5 HH TYR 5 -8.179 16.824 31.819 41 H LEU 6 H LEU 6 -5.890 18.161 23.740 42 HA LEU 6 HA LEU 6 -6.553 20.428 25.590 43 1HB LEU 6 1HB LEU 6 -4.206 20.267 24.370 44 2HB LEU 6 2HB LEU 6 -5.127 20.844 22.980 45 HG LEU 6 HG LEU 6 -4.814 22.199 25.672 46 1HD1 LEU 6 1HD1 LEU 6 -3.361 22.354 23.278 47 2HD1 LEU 6 2HD1 LEU 6 -4.405 23.775 23.261 48 3HD1 LEU 6 3HD1 LEU 6 -3.306 23.503 24.614 49 1HD2 LEU 6 1HD2 LEU 6 -6.738 22.714 23.400 50 2HD2 LEU 6 2HD2 LEU 6 -7.102 22.532 25.115 51 3HD2 LEU 6 3HD2 LEU 6 -6.277 23.980 24.538 52 H ASN 7 H ASN 7 -8.631 21.061 25.156 53 HA ASN 7 HA ASN 7 -10.225 20.203 22.982 54 1HB ASN 7 1HB ASN 7 -11.044 21.144 25.106 55 2HB ASN 7 2HB ASN 7 -10.369 22.713 24.680 56 2HD2 ASN 7 2HD2 ASN 7 -11.882 20.642 22.237 57 1HD2 ASN 7 1HD2 ASN 7 -13.249 21.619 21.998 58 H TYR 8 H TYR 8 -9.767 20.637 20.840 59 HA TYR 8 HA TYR 8 -8.158 22.794 19.896 60 1HB TYR 8 1HB TYR 8 -8.487 20.977 18.445 61 2HB TYR 8 2HB TYR 8 -10.221 20.926 18.750 62 HD1 TYR 8 HD1 TYR 8 -11.663 22.845 17.893 63 HD2 TYR 8 HD2 TYR 8 -7.610 22.214 16.622 64 HE1 TYR 8 HE1 TYR 8 -12.078 24.239 15.890 65 HE2 TYR 8 HE2 TYR 8 -8.021 23.618 14.617 66 HH TYR 8 HH TYR 8 -10.039 25.698 14.214 67 H GLU 9 H GLU 9 -11.632 22.556 20.540 68 HA GLU 9 HA GLU 9 -12.478 24.954 19.238 69 1HB GLU 9 1HB GLU 9 -13.619 22.876 20.590 70 2HB GLU 9 2HB GLU 9 -13.777 24.165 21.784 71 1HG GLU 9 1HG GLU 9 -15.262 25.346 20.504 72 2HG GLU 9 2HG GLU 9 -14.474 24.894 18.993 73 H THR 10 H THR 10 -11.142 24.361 22.480 74 HA THR 10 HA THR 10 -11.620 26.955 23.584 75 HB THR 10 HB THR 10 -9.456 24.877 24.051 76 HG1 THR 10 HG1 THR 10 -11.075 24.861 26.010 77 1HG2 THR 10 1HG2 THR 10 -10.014 27.508 25.305 78 2HG2 THR 10 2HG2 THR 10 -9.710 26.172 26.414 79 3HG2 THR 10 3HG2 THR 10 -8.502 26.606 25.204 80 H LEU 11 H LEU 11 -9.107 25.716 21.435 81 HA LEU 11 HA LEU 11 -7.270 27.925 21.695 82 1HB LEU 11 1HB LEU 11 -6.435 25.926 20.759 83 2HB LEU 11 2HB LEU 11 -7.831 25.732 19.702 84 HG LEU 11 HG LEU 11 -7.088 27.442 18.228 85 1HD1 LEU 11 1HD1 LEU 11 -5.611 28.340 20.628 86 2HD1 LEU 11 2HD1 LEU 11 -4.754 28.553 19.101 87 3HD1 LEU 11 3HD1 LEU 11 -6.339 29.290 19.333 88 1HD2 LEU 11 1HD2 LEU 11 -5.498 25.230 18.774 89 2HD2 LEU 11 2HD2 LEU 11 -5.366 26.265 17.352 90 3HD2 LEU 11 3HD2 LEU 11 -4.347 26.567 18.760 91 H ASP 12 H ASP 12 -9.797 27.171 19.268 92 HA ASP 12 HA ASP 12 -9.510 29.654 17.822 93 1HB ASP 12 1HB ASP 12 -11.588 27.474 18.060 94 2HB ASP 12 2HB ASP 12 -11.867 28.883 17.036 95 H ASP 13 H ASP 13 -11.616 28.570 20.476 96 HA ASP 13 HA ASP 13 -13.287 30.910 20.575 97 1HB ASP 13 1HB ASP 13 -12.482 28.719 22.497 98 2HB ASP 13 2HB ASP 13 -13.596 29.998 22.982 99 H GLN 14 H GLN 14 -10.369 29.968 22.420 100 HA GLN 14 HA GLN 14 -10.193 32.381 23.973 101 1HB GLN 14 1HB GLN 14 -8.386 30.117 23.167 102 2HB GLN 14 2HB GLN 14 -7.707 31.498 24.028 103 1HG GLN 14 1HG GLN 14 -10.148 30.005 25.010 104 2HG GLN 14 2HG GLN 14 -8.510 29.568 25.493 105 2HE2 GLN 14 2HE2 GLN 14 -7.840 30.577 27.388 106 1HE2 GLN 14 1HE2 GLN 14 -8.411 32.071 27.954 107 H GLY 15 H GLY 15 -9.023 31.479 20.763 108 1HA GLY 15 2HA GLY 15 -8.392 34.320 20.241 109 2HA GLY 15 1HA GLY 15 -8.507 33.049 19.024 110 H TRP 16 H TRP 16 -6.775 31.225 20.620 111 HA TRP 16 HA TRP 16 -4.164 32.662 20.577 112 1HB TRP 16 1HB TRP 16 -5.217 30.064 21.702 113 2HB TRP 16 2HB TRP 16 -3.487 30.399 21.641 114 HD1 TRP 16 HD1 TRP 16 -4.098 33.644 22.156 115 HE1 TRP 16 HE1 TRP 16 -4.487 34.359 24.601 116 HE3 TRP 16 HE3 TRP 16 -5.290 29.126 24.223 117 HZ2 TRP 16 HZ2 TRP 16 -5.209 33.176 27.102 118 HZ3 TRP 16 HZ3 TRP 16 -5.823 28.950 26.637 119 HH2 TRP 16 HH2 TRP 16 -5.784 30.968 28.077 120 H ASP 17 H ASP 17 -2.299 31.195 19.718 121 HA ASP 17 HA ASP 17 -3.044 30.321 16.983 122 1HB ASP 17 1HB ASP 17 -0.738 31.421 18.413 123 2HB ASP 17 2HB ASP 17 -0.292 30.093 17.341 124 H MET 18 H MET 18 -1.294 28.403 16.343 125 HA MET 18 HA MET 18 -2.259 26.047 17.772 126 1HB MET 18 1HB MET 18 -1.416 26.657 15.235 127 2HB MET 18 2HB MET 18 -0.001 25.822 15.876 128 1HG MET 18 1HG MET 18 -1.208 23.839 16.288 129 2HG MET 18 2HG MET 18 -2.764 24.668 16.233 130 1HE MET 18 1HE MET 18 0.240 23.322 14.550 131 2HE MET 18 2HE MET 18 -0.051 23.362 12.805 132 3HE MET 18 3HE MET 18 0.381 24.838 13.664 133 H ASP 19 H ASP 19 1.014 27.409 17.196 134 HA ASP 19 HA ASP 19 1.914 26.006 19.694 135 1HB ASP 19 1HB ASP 19 2.800 25.147 17.517 136 2HB ASP 19 2HB ASP 19 3.481 26.743 17.201 137 H ASP 20 H ASP 20 1.397 29.022 18.216 138 HA ASP 20 HA ASP 20 3.593 30.539 19.321 139 1HB ASP 20 1HB ASP 20 1.420 30.895 17.595 140 2HB ASP 20 2HB ASP 20 1.082 31.976 18.947 141 H ASP 21 H ASP 21 0.189 30.120 20.374 142 HA ASP 21 HA ASP 21 0.623 31.591 22.860 143 1HB ASP 21 1HB ASP 21 -1.536 30.316 21.334 144 2HB ASP 21 2HB ASP 21 -1.735 30.158 23.079 145 H ASP 22 H ASP 22 1.375 28.436 21.865 146 HA ASP 22 HA ASP 22 1.914 26.467 23.069 147 1HB ASP 22 1HB ASP 22 2.983 28.831 24.270 148 2HB ASP 22 2HB ASP 22 2.527 27.730 25.569 149 H LEU 23 H LEU 23 -0.794 26.769 23.030 150 HA LEU 23 HA LEU 23 -2.279 27.119 25.367 151 1HB LEU 23 1HB LEU 23 -2.507 25.093 23.125 152 2HB LEU 23 2HB LEU 23 -3.792 25.392 24.296 153 HG LEU 23 HG LEU 23 -3.051 27.942 23.431 154 1HD1 LEU 23 1HD1 LEU 23 -2.025 26.235 21.533 155 2HD1 LEU 23 2HD1 LEU 23 -3.624 26.588 20.878 156 3HD1 LEU 23 3HD1 LEU 23 -2.503 27.904 21.226 157 1HD2 LEU 23 1HD2 LEU 23 -5.335 26.854 23.898 158 2HD2 LEU 23 2HD2 LEU 23 -5.272 28.028 22.583 159 3HD2 LEU 23 3HD2 LEU 23 -5.284 26.301 22.224 160 H PHE 24 H PHE 24 -0.706 24.071 24.305 161 HA PHE 24 HA PHE 24 -1.461 22.411 26.451 162 1HB PHE 24 1HB PHE 24 0.863 22.629 24.571 163 2HB PHE 24 2HB PHE 24 0.970 21.469 25.894 164 HD1 PHE 24 HD1 PHE 24 -1.105 19.898 26.226 165 HD2 PHE 24 HD2 PHE 24 -0.246 22.038 22.601 166 HE1 PHE 24 HE1 PHE 24 -2.537 18.320 24.953 167 HE2 PHE 24 HE2 PHE 24 -1.677 20.462 21.331 168 HZ PHE 24 HZ PHE 24 -2.819 18.602 22.506 169 H GLU 25 H GLU 25 0.718 25.112 26.415 170 HA GLU 25 HA GLU 25 1.815 24.347 29.094 171 1HB GLU 25 1HB GLU 25 2.767 25.735 26.691 172 2HB GLU 25 2HB GLU 25 3.144 26.603 28.179 173 1HG GLU 25 1HG GLU 25 3.731 23.662 27.730 174 2HG GLU 25 2HG GLU 25 4.915 24.951 27.517 175 H LYS 26 H LYS 26 0.612 27.254 27.358 176 HA LYS 26 HA LYS 26 0.305 28.870 29.702 177 1HB LYS 26 1HB LYS 26 0.353 29.437 27.169 178 2HB LYS 26 2HB LYS 26 -1.371 29.064 27.200 179 1HG LYS 26 1HG LYS 26 -1.718 30.741 28.964 180 2HG LYS 26 2HG LYS 26 0.010 31.095 28.981 181 1HD LYS 26 1HD LYS 26 -0.146 31.757 26.576 182 2HD LYS 26 2HD LYS 26 -1.890 31.508 26.653 183 1HE LYS 26 2HE LYS 26 -1.978 33.706 27.277 184 2HE LYS 26 1HE LYS 26 -1.401 33.133 28.854 185 1HZ LYS 26 1HZ LYS 26 0.892 33.233 27.871 186 2HZ LYS 26 2HZ LYS 26 0.227 34.069 26.551 187 3HZ LYS 26 3HZ LYS 26 0.156 34.744 28.108 188 H ALA 27 H ALA 27 -1.883 26.615 28.065 189 HA ALA 27 HA ALA 27 -4.300 27.282 29.415 190 1HB ALA 27 1HB ALA 27 -3.878 25.760 27.410 191 2HB ALA 27 2HB ALA 27 -3.375 24.525 28.563 192 3HB ALA 27 3HB ALA 27 -5.027 25.141 28.596 193 H ALA 28 H ALA 28 -1.563 25.246 30.375 194 HA ALA 28 HA ALA 28 -2.795 24.032 32.673 195 1HB ALA 28 1HB ALA 28 -0.408 23.897 31.260 196 2HB ALA 28 3HB ALA 28 0.089 24.554 32.821 197 3HB ALA 28 2HB ALA 28 -0.765 23.013 32.743 198 H ASP 29 H ASP 29 -1.302 27.156 32.112 199 HA ASP 29 HA ASP 29 -1.393 27.779 35.034 200 1HB ASP 29 1HB ASP 29 -0.126 29.169 32.650 201 2HB ASP 29 2HB ASP 29 0.036 29.693 34.326 202 H ALA 30 H ALA 30 -3.609 27.795 32.751 203 HA ALA 30 HA ALA 30 -4.556 30.595 33.232 204 1HB ALA 30 1HB ALA 30 -5.799 28.838 31.183 205 2HB ALA 30 3HB ALA 30 -4.117 29.291 30.900 206 3HB ALA 30 2HB ALA 30 -5.351 30.540 31.077 207 H GLY 31 H GLY 31 -5.453 27.181 33.392 208 1HA GLY 31 2HA GLY 31 -7.694 27.922 35.194 209 2HA GLY 31 1HA GLY 31 -6.986 26.314 35.051 210 H LEU 32 H LEU 32 -7.262 25.352 32.734 211 HA LEU 32 HA LEU 32 -9.791 26.216 31.430 212 1HB LEU 32 1HB LEU 32 -7.295 24.851 30.723 213 2HB LEU 32 2HB LEU 32 -8.718 24.053 30.054 214 HG LEU 32 HG LEU 32 -7.778 25.840 28.557 215 1HD1 LEU 32 1HD1 LEU 32 -10.559 25.956 29.688 216 2HD1 LEU 32 2HD1 LEU 32 -10.069 27.128 28.465 217 3HD1 LEU 32 3HD1 LEU 32 -10.027 25.403 28.099 218 1HD2 LEU 32 1HD2 LEU 32 -7.165 27.297 30.597 219 2HD2 LEU 32 2HD2 LEU 32 -7.841 28.125 29.194 220 3HD2 LEU 32 3HD2 LEU 32 -8.858 27.789 30.595 221 H ASP 33 H ASP 33 -11.241 24.321 30.704 222 HA ASP 33 HA ASP 33 -12.098 22.830 33.032 223 1HB ASP 33 1HB ASP 33 -13.261 23.747 30.786 224 2HB ASP 33 2HB ASP 33 -12.952 22.088 30.272 225 H GLY 34 H GLY 34 -12.312 20.407 33.014 226 1HA GLY 34 2HA GLY 34 -11.021 18.411 33.161 227 2HA GLY 34 1HA GLY 34 -9.773 19.181 32.181 228 H GLU 35 H GLU 35 -13.174 19.085 31.275 229 HA GLU 35 HA GLU 35 -12.985 16.772 29.544 230 1HB GLU 35 1HB GLU 35 -14.945 18.420 30.603 231 2HB GLU 35 2HB GLU 35 -14.976 18.832 28.887 232 1HG GLU 35 1HG GLU 35 -15.681 16.735 28.259 233 2HG GLU 35 2HG GLU 35 -14.823 15.937 29.577 234 H ASP 36 H ASP 36 -11.636 19.840 29.294 235 HA ASP 36 HA ASP 36 -11.609 19.707 26.295 236 1HB ASP 36 1HB ASP 36 -11.623 21.971 28.299 237 2HB ASP 36 2HB ASP 36 -11.142 22.230 26.623 238 H TYR 37 H TYR 37 -9.666 20.848 29.098 239 HA TYR 37 HA TYR 37 -7.228 19.943 27.607 240 1HB TYR 37 1HB TYR 37 -7.348 22.326 27.385 241 2HB TYR 37 2HB TYR 37 -7.790 22.525 29.081 242 HD1 TYR 37 HD1 TYR 37 -5.071 20.931 27.033 243 HD2 TYR 37 HD2 TYR 37 -6.102 23.165 30.554 244 HE1 TYR 37 HE1 TYR 37 -2.671 21.079 27.640 245 HE2 TYR 37 HE2 TYR 37 -3.703 23.314 31.161 246 HH TYR 37 HH TYR 37 -1.597 21.958 30.674 247 H GLY 38 H GLY 38 -5.496 19.215 28.974 248 1HA GLY 38 2HA GLY 38 -6.404 18.240 31.607 249 2HA GLY 38 1HA GLY 38 -5.020 19.333 31.626 250 H THR 39 H THR 39 -3.935 17.339 32.542 251 HA THR 39 HA THR 39 -2.478 15.961 30.407 252 HB THR 39 HB THR 39 -2.221 15.130 33.246 253 HG1 THR 39 HG1 THR 39 -1.366 17.704 32.484 254 1HG2 THR 39 1HG2 THR 39 -0.606 15.447 30.857 255 2HG2 THR 39 2HG2 THR 39 0.156 16.229 32.242 256 3HG2 THR 39 3HG2 THR 39 -0.264 14.518 32.317 257 H MET 40 H MET 40 -2.962 13.933 29.635 258 HA MET 40 HA MET 40 -5.202 12.453 30.921 259 1HB MET 40 1HB MET 40 -4.892 13.165 28.400 260 2HB MET 40 2HB MET 40 -3.875 11.726 28.327 261 1HG MET 40 1HG MET 40 -6.104 10.837 29.708 262 2HG MET 40 2HG MET 40 -6.795 11.941 28.519 263 1HE MET 40 1HE MET 40 -6.933 11.908 26.522 264 2HE MET 40 2HE MET 40 -5.888 11.141 25.329 265 3HE MET 40 3HE MET 40 -7.401 10.365 25.794 266 H GLU 41 H GLU 41 -4.470 11.007 32.453 267 HA GLU 41 HA GLU 41 -1.817 9.766 32.265 268 1HB GLU 41 1HB GLU 41 -4.158 9.803 34.145 269 2HB GLU 41 2HB GLU 41 -2.946 8.536 34.327 270 1HG GLU 41 1HG GLU 41 -1.252 10.048 34.860 271 2HG GLU 41 2HG GLU 41 -2.052 11.388 34.040 272 H VAL 42 H VAL 42 -1.556 8.072 30.843 273 HA VAL 42 HA VAL 42 -3.805 6.098 30.597 274 HB VAL 42 HB VAL 42 -1.757 7.138 28.619 275 1HG1 VAL 42 1HG1 VAL 42 -3.174 4.579 28.720 276 2HG1 VAL 42 2HG1 VAL 42 -3.519 5.484 27.246 277 3HG1 VAL 42 3HG1 VAL 42 -1.853 5.087 27.668 278 1HG2 VAL 42 1HG2 VAL 42 -4.671 7.493 29.110 279 2HG2 VAL 42 2HG2 VAL 42 -3.494 8.630 28.453 280 3HG2 VAL 42 3HG2 VAL 42 -4.165 7.362 27.425 281 H ALA 43 H ALA 43 -3.129 4.434 31.950 282 HA ALA 43 HA ALA 43 -0.415 3.687 32.461 283 1HB ALA 43 1HB ALA 43 -2.804 3.133 33.537 284 2HB ALA 43 3HB ALA 43 -1.426 2.056 33.761 285 3HB ALA 43 2HB ALA 43 -2.640 1.691 32.537 286 H GLU 44 H GLU 44 0.884 2.078 31.490 287 HA GLU 44 HA GLU 44 0.728 1.625 28.712 288 1HB GLU 44 1HB GLU 44 2.748 1.305 30.019 289 2HB GLU 44 2HB GLU 44 1.984 0.026 30.965 290 1HG GLU 44 1HG GLU 44 1.713 -0.637 28.197 291 2HG GLU 44 2HG GLU 44 3.399 -0.215 28.493 292 H GLY 45 H GLY 45 -0.835 0.516 27.609 293 1HA GLY 45 2HA GLY 45 -1.919 -1.973 28.863 294 2HA GLY 45 1HA GLY 45 -1.756 -1.740 27.123 295 H GLU 46 H GLU 46 -2.732 1.166 28.405 296 HA GLU 46 HA GLU 46 -5.641 0.487 28.191 297 1HB GLU 46 1HB GLU 46 -4.001 2.070 29.960 298 2HB GLU 46 2HB GLU 46 -5.208 3.105 29.196 299 1HG GLU 46 1HG GLU 46 -6.935 1.337 29.812 300 2HG GLU 46 2HG GLU 46 -5.685 0.582 30.801 301 H TYR 47 H TYR 47 -6.756 1.319 26.455 302 HA TYR 47 HA TYR 47 -5.385 2.769 24.360 303 1HB TYR 47 1HB TYR 47 -8.368 2.468 24.763 304 2HB TYR 47 2HB TYR 47 -7.488 2.569 23.239 305 HD1 TYR 47 HD1 TYR 47 -5.171 0.721 24.376 306 HD2 TYR 47 HD2 TYR 47 -9.441 0.343 24.088 307 HE1 TYR 47 HE1 TYR 47 -4.950 -1.749 24.342 308 HE2 TYR 47 HE2 TYR 47 -9.220 -2.127 24.054 309 HH TYR 47 HH TYR 47 -6.931 -3.780 25.086 310 H ILE 48 H ILE 48 -5.407 4.978 23.932 311 HA ILE 48 HA ILE 48 -5.662 6.934 25.869 312 HB ILE 48 HB ILE 48 -6.306 7.028 22.906 313 1HG1 ILE 48 1HG1 ILE 48 -3.813 8.200 23.930 314 2HG1 ILE 48 2HG1 ILE 48 -3.935 6.462 24.203 315 1HG2 ILE 48 1HG2 ILE 48 -7.044 8.984 24.583 316 2HG2 ILE 48 2HG2 ILE 48 -5.345 9.423 24.408 317 3HG2 ILE 48 3HG2 ILE 48 -6.383 9.332 22.985 318 1HD1 ILE 48 1HD1 ILE 48 -4.609 7.640 21.513 319 2HD1 ILE 48 2HD1 ILE 48 -2.935 7.291 21.945 320 3HD1 ILE 48 3HD1 ILE 48 -4.126 5.990 21.904 321 H LEU 49 H LEU 49 -8.238 6.500 23.406 322 HA LEU 49 HA LEU 49 -10.255 7.998 24.589 323 1HB LEU 49 1HB LEU 49 -9.973 5.874 22.657 324 2HB LEU 49 2HB LEU 49 -11.451 5.630 23.587 325 HG LEU 49 HG LEU 49 -11.832 8.184 23.174 326 1HD1 LEU 49 1HD1 LEU 49 -9.392 7.748 21.773 327 2HD1 LEU 49 2HD1 LEU 49 -10.640 8.051 20.565 328 3HD1 LEU 49 3HD1 LEU 49 -10.346 9.229 21.845 329 1HD2 LEU 49 1HD2 LEU 49 -12.342 5.808 21.514 330 2HD2 LEU 49 2HD2 LEU 49 -13.461 7.057 22.063 331 3HD2 LEU 49 3HD2 LEU 49 -12.467 7.329 20.632 332 H GLU 50 H GLU 50 -8.996 4.907 25.655 333 HA GLU 50 HA GLU 50 -11.229 4.190 27.368 334 1HB GLU 50 1HB GLU 50 -9.290 2.781 26.353 335 2HB GLU 50 2HB GLU 50 -8.344 3.368 27.720 336 1HG GLU 50 2HG GLU 50 -9.229 1.633 28.875 337 2HG GLU 50 1HG GLU 50 -10.721 2.572 28.902 338 H ALA 51 H ALA 51 -7.954 5.478 28.085 339 HA ALA 51 HA ALA 51 -8.532 6.009 30.864 340 1HB ALA 51 1HB ALA 51 -6.455 7.683 29.830 341 2HB ALA 51 2HB ALA 51 -6.360 6.127 29.003 342 3HB ALA 51 3HB ALA 51 -6.283 6.197 30.764 343 H ALA 52 H ALA 52 -8.914 7.836 27.888 344 HA ALA 52 HA ALA 52 -9.374 10.396 29.226 345 1HB ALA 52 1HB ALA 52 -9.072 9.289 26.553 346 2HB ALA 52 3HB ALA 52 -10.398 10.449 26.615 347 3HB ALA 52 2HB ALA 52 -8.777 10.937 27.108 348 H GLU 53 H GLU 53 -11.374 7.878 27.731 349 HA GLU 53 HA GLU 53 -13.904 9.153 27.922 350 1HB GLU 53 1HB GLU 53 -13.495 7.111 26.654 351 2HB GLU 53 2HB GLU 53 -13.064 6.246 28.128 352 1HG GLU 53 1HG GLU 53 -15.242 5.971 28.752 353 2HG GLU 53 2HG GLU 53 -15.713 7.569 28.171 354 H ALA 54 H ALA 54 -12.183 7.099 30.251 355 HA ALA 54 HA ALA 54 -14.182 7.010 32.277 356 1HB ALA 54 1HB ALA 54 -11.429 7.161 33.247 357 2HB ALA 54 3HB ALA 54 -11.571 6.117 31.834 358 3HB ALA 54 2HB ALA 54 -12.543 5.794 33.269 359 H GLN 55 H GLN 55 -12.066 9.565 31.243 360 HA GLN 55 HA GLN 55 -12.347 11.130 33.731 361 1HB GLN 55 1HB GLN 55 -10.860 11.208 31.159 362 2HB GLN 55 2HB GLN 55 -11.217 12.774 31.884 363 1HG GLN 55 1HG GLN 55 -9.008 11.635 32.574 364 2HG GLN 55 2HG GLN 55 -10.032 12.252 33.870 365 2HE2 GLN 55 2HE2 GLN 55 -10.259 10.770 35.545 366 1HE2 GLN 55 1HE2 GLN 55 -10.246 9.082 35.368 367 H GLY 56 H GLY 56 -13.938 10.785 30.657 368 1HA GLY 56 2HA GLY 56 -15.659 13.134 31.335 369 2HA GLY 56 1HA GLY 56 -16.235 11.704 30.479 370 H TYR 57 H TYR 57 -13.212 12.228 29.297 371 HA TYR 57 HA TYR 57 -13.502 14.480 27.552 372 1HB TYR 57 1HB TYR 57 -11.901 11.908 27.326 373 2HB TYR 57 2HB TYR 57 -11.607 13.357 26.366 374 HD1 TYR 57 HD1 TYR 57 -12.734 14.594 29.398 375 HD2 TYR 57 HD2 TYR 57 -9.302 12.632 27.711 376 HE1 TYR 57 HE1 TYR 57 -11.318 15.504 31.218 377 HE2 TYR 57 HE2 TYR 57 -7.888 13.546 29.533 378 HH TYR 57 HH TYR 57 -8.246 14.358 31.903 379 H ASP 58 H ASP 58 -15.248 14.592 26.170 380 HA ASP 58 HA ASP 58 -16.432 12.212 24.942 381 1HB ASP 58 1HB ASP 58 -17.199 14.799 25.609 382 2HB ASP 58 2HB ASP 58 -17.118 14.846 23.848 383 H TRP 59 H TRP 59 -15.948 11.414 22.912 384 HA TRP 59 HA TRP 59 -14.103 13.049 21.205 385 1HB TRP 59 1HB TRP 59 -14.354 10.056 21.626 386 2HB TRP 59 2HB TRP 59 -13.265 10.806 20.457 387 HD1 TRP 59 HD1 TRP 59 -13.832 10.388 24.204 388 HE1 TRP 59 HE1 TRP 59 -11.701 11.107 25.459 389 HE3 TRP 59 HE3 TRP 59 -11.104 12.271 20.318 390 HZ2 TRP 59 HZ2 TRP 59 -9.172 12.305 24.896 391 HZ3 TRP 59 HZ3 TRP 59 -8.836 13.192 20.708 392 HH2 TRP 59 HH2 TRP 59 -7.870 13.212 22.992 393 HA PRO 60 HA PRO 60 -17.554 12.874 18.406 394 1HB PRO 60 1HB PRO 60 -16.314 14.172 16.339 395 2HB PRO 60 2HB PRO 60 -16.956 15.010 17.763 396 1HG PRO 60 2HG PRO 60 -14.151 14.215 17.132 397 2HG PRO 60 1HG PRO 60 -14.758 15.700 17.873 398 1HD PRO 60 1HD PRO 60 -13.640 13.671 19.296 399 2HD PRO 60 2HD PRO 60 -14.872 14.764 19.962 400 H PHE 61 H PHE 61 -17.900 12.034 16.135 401 HA PHE 61 HA PHE 61 -17.582 10.405 14.454 402 1HB PHE 61 1HB PHE 61 -15.274 11.768 14.673 403 2HB PHE 61 2HB PHE 61 -14.697 10.176 15.170 404 HD1 PHE 61 HD1 PHE 61 -16.202 8.293 13.604 405 HD2 PHE 61 HD2 PHE 61 -14.678 12.138 12.445 406 HE1 PHE 61 HE1 PHE 61 -16.172 7.566 11.234 407 HE2 PHE 61 HE2 PHE 61 -14.648 11.411 10.073 408 HZ PHE 61 HZ PHE 61 -15.395 9.125 9.467 409 H SER 62 H SER 62 -18.780 8.853 15.790 410 HA SER 62 HA SER 62 -17.303 7.089 17.619 411 1HB SER 62 1HB SER 62 -19.830 6.021 17.043 412 2HB SER 62 2HB SER 62 -19.432 7.079 18.396 413 HG SER 62 HG SER 62 -20.935 7.591 16.242 414 H CYS 63 H CYS 63 -17.534 4.643 17.234 415 HA CYS 63 HA CYS 63 -16.637 4.032 14.480 416 1HB CYS 63 2HB CYS 63 -16.950 2.114 16.797 417 2HB CYS 63 1HB CYS 63 -15.798 2.040 15.466 418 H ARG 64 H ARG 64 -18.780 4.325 13.451 419 HA ARG 64 HA ARG 64 -20.975 2.535 14.260 420 1HB ARG 64 1HB ARG 64 -20.763 5.004 13.092 421 2HB ARG 64 2HB ARG 64 -21.064 3.985 11.684 422 1HG ARG 64 1HG ARG 64 -23.144 3.259 12.496 423 2HG ARG 64 2HG ARG 64 -22.748 3.685 14.162 424 1HD ARG 64 1HD ARG 64 -23.601 5.768 13.882 425 2HD ARG 64 2HD ARG 64 -22.605 6.026 12.436 426 HE ARG 64 HE ARG 64 -24.462 4.378 11.409 427 1HH1 ARG 64 1HH1 ARG 64 -26.755 4.318 12.641 428 2HH1 ARG 64 2HH1 ARG 64 -27.507 5.877 12.589 429 1HH2 ARG 64 1HH2 ARG 64 -24.586 7.554 11.767 430 2HH2 ARG 64 2HH2 ARG 64 -26.280 7.708 12.095 431 H ALA 65 H ALA 65 -18.625 2.800 11.596 432 HA ALA 65 HA ALA 65 -19.749 0.523 10.138 433 1HB ALA 65 1HB ALA 65 -17.041 1.854 9.852 434 2HB ALA 65 3HB ALA 65 -18.524 2.555 9.206 435 3HB ALA 65 2HB ALA 65 -17.952 0.998 8.609 436 H GLY 66 H GLY 66 -18.728 -1.552 9.932 437 1HA GLY 66 2HA GLY 66 -17.525 -3.422 10.685 438 2HA GLY 66 1HA GLY 66 -17.652 -2.696 12.287 439 H ALA 67 H ALA 67 -16.063 -1.147 9.548 440 HA ALA 67 HA ALA 67 -13.412 -1.628 10.862 441 1HB ALA 67 1HB ALA 67 -12.644 -0.983 8.472 442 2HB ALA 67 3HB ALA 67 -13.439 -2.545 8.671 443 3HB ALA 67 2HB ALA 67 -14.339 -1.174 8.022 444 H CYS 68 H CYS 68 -14.056 0.255 12.311 445 HA CYS 68 HA CYS 68 -14.337 2.909 11.138 446 1HB CYS 68 1HB CYS 68 -15.345 2.266 13.277 447 2HB CYS 68 2HB CYS 68 -13.752 1.907 13.944 448 H ALA 69 H ALA 69 -11.928 2.108 13.617 449 HA ALA 69 HA ALA 69 -9.664 2.776 13.788 450 1HB ALA 69 1HB ALA 69 -9.703 2.238 10.808 451 2HB ALA 69 2HB ALA 69 -8.367 1.986 11.933 452 3HB ALA 69 3HB ALA 69 -9.786 0.942 12.002 453 H ASN 70 H ASN 70 -11.778 4.814 12.943 454 HA ASN 70 HA ASN 70 -10.206 6.676 11.251 455 1HB ASN 70 1HB ASN 70 -12.952 6.084 11.816 456 2HB ASN 70 2HB ASN 70 -12.655 7.771 12.235 457 2HD2 ASN 70 2HD2 ASN 70 -14.260 7.001 9.961 458 1HD2 ASN 70 1HD2 ASN 70 -13.448 7.500 8.556 459 H CYS 71 H CYS 71 -12.134 7.157 14.232 460 HA CYS 71 HA CYS 71 -11.606 8.352 16.208 461 1HB CYS 71 2HB CYS 71 -8.751 8.346 15.216 462 2HB CYS 71 1HB CYS 71 -9.329 8.286 16.879 463 H ALA 72 H ALA 72 -10.558 10.579 16.831 464 HA ALA 72 HA ALA 72 -10.167 12.365 14.493 465 1HB ALA 72 1HB ALA 72 -12.659 11.924 15.774 466 2HB ALA 72 3HB ALA 72 -12.119 13.529 16.268 467 3HB ALA 72 2HB ALA 72 -12.285 13.143 14.555 468 H SER 73 H SER 73 -8.037 12.194 15.852 469 HA SER 73 HA SER 73 -8.074 14.347 17.943 470 1HB SER 73 1HB SER 73 -6.476 11.770 17.779 471 2HB SER 73 2HB SER 73 -6.227 13.016 19.004 472 HG SER 73 HG SER 73 -8.526 11.431 18.553 473 H ILE 74 H ILE 74 -5.835 15.385 18.141 474 HA ILE 74 HA ILE 74 -4.342 15.349 15.547 475 HB ILE 74 HB ILE 74 -5.244 17.748 17.178 476 1HG1 ILE 74 1HG1 ILE 74 -7.074 16.536 15.972 477 2HG1 ILE 74 2HG1 ILE 74 -6.806 18.169 15.362 478 1HG2 ILE 74 1HG2 ILE 74 -3.064 17.925 15.863 479 2HG2 ILE 74 2HG2 ILE 74 -4.033 17.701 14.407 480 3HG2 ILE 74 3HG2 ILE 74 -4.309 19.100 15.444 481 1HD1 ILE 74 1HD1 ILE 74 -5.308 17.166 13.591 482 2HD1 ILE 74 2HD1 ILE 74 -5.836 15.574 14.133 483 3HD1 ILE 74 3HD1 ILE 74 -7.003 16.705 13.450 484 H VAL 75 H VAL 75 -2.815 14.013 16.854 485 HA VAL 75 HA VAL 75 -1.587 14.637 19.276 486 HB VAL 75 HB VAL 75 -1.179 12.626 17.934 487 1HG1 VAL 75 1HG1 VAL 75 -0.806 14.479 15.864 488 2HG1 VAL 75 2HG1 VAL 75 0.786 13.764 16.119 489 3HG1 VAL 75 3HG1 VAL 75 -0.596 12.732 15.756 490 1HG2 VAL 75 1HG2 VAL 75 0.558 13.526 19.585 491 2HG2 VAL 75 2HG2 VAL 75 1.157 12.389 18.377 492 3HG2 VAL 75 3HG2 VAL 75 1.441 14.119 18.178 493 H LYS 76 H LYS 76 -0.597 16.522 19.943 494 HA LYS 76 HA LYS 76 0.466 18.412 17.927 495 1HB LYS 76 1HB LYS 76 -0.926 18.739 20.204 496 2HB LYS 76 2HB LYS 76 0.704 18.843 20.871 497 1HG LYS 76 1HG LYS 76 0.519 20.366 18.415 498 2HG LYS 76 2HG LYS 76 -0.722 20.887 19.554 499 1HD LYS 76 1HD LYS 76 0.906 21.341 21.255 500 2HD LYS 76 2HD LYS 76 2.180 20.533 20.340 501 1HE LYS 76 1HE LYS 76 0.723 22.930 19.206 502 2HE LYS 76 2HE LYS 76 2.150 23.116 20.242 503 1HZ LYS 76 1HZ LYS 76 2.414 21.060 18.235 504 2HZ LYS 76 2HZ LYS 76 2.222 22.613 17.578 505 3HZ LYS 76 3HZ LYS 76 3.492 22.301 18.660 506 H GLU 77 H GLU 77 1.635 15.817 19.773 507 HA GLU 77 HA GLU 77 4.319 16.009 18.901 508 1HB GLU 77 1HB GLU 77 3.589 17.900 20.912 509 2HB GLU 77 2HB GLU 77 4.685 16.734 21.652 510 1HG GLU 77 1HG GLU 77 5.474 17.617 18.946 511 2HG GLU 77 2HG GLU 77 5.503 18.887 20.169 512 H GLY 78 H GLY 78 5.163 13.989 19.266 513 1HA GLY 78 2HA GLY 78 3.980 12.387 21.498 514 2HA GLY 78 1HA GLY 78 5.709 12.343 21.150 515 H GLU 79 H GLU 79 4.188 9.993 21.085 516 HA GLU 79 HA GLU 79 3.517 9.423 18.261 517 1HB GLU 79 1HB GLU 79 5.959 9.271 18.339 518 2HB GLU 79 2HB GLU 79 5.872 8.206 19.743 519 1HG GLU 79 1HG GLU 79 4.996 6.421 18.487 520 2HG GLU 79 2HG GLU 79 4.466 7.479 17.180 521 H ILE 80 H ILE 80 2.065 7.706 18.148 522 HA ILE 80 HA ILE 80 1.500 6.262 20.717 523 HB ILE 80 HB ILE 80 -0.291 6.957 18.366 524 1HG1 ILE 80 1HG1 ILE 80 -0.791 8.100 21.045 525 2HG1 ILE 80 2HG1 ILE 80 0.681 8.674 20.262 526 1HG2 ILE 80 1HG2 ILE 80 -0.712 5.481 20.956 527 2HG2 ILE 80 2HG2 ILE 80 -2.046 6.361 20.210 528 3HG2 ILE 80 3HG2 ILE 80 -1.256 5.049 19.335 529 1HD1 ILE 80 1HD1 ILE 80 -1.652 8.538 18.469 530 2HD1 ILE 80 2HD1 ILE 80 -1.832 9.686 19.796 531 3HD1 ILE 80 3HD1 ILE 80 -0.472 9.831 18.683 532 H ASP 81 H ASP 81 1.189 4.001 20.607 533 HA ASP 81 HA ASP 81 2.210 2.698 18.127 534 1HB ASP 81 1HB ASP 81 3.093 2.414 20.570 535 2HB ASP 81 2HB ASP 81 1.676 1.388 20.789 536 H MET 82 H MET 82 0.828 1.488 16.865 537 HA MET 82 HA MET 82 -1.732 0.512 18.045 538 1HB MET 82 1HB MET 82 -2.911 1.495 16.058 539 2HB MET 82 2HB MET 82 -2.187 2.717 17.104 540 1HG MET 82 1HG MET 82 -0.551 3.258 15.571 541 2HG MET 82 2HG MET 82 -0.504 1.632 14.891 542 1HE MET 82 1HE MET 82 -0.134 3.548 12.975 543 2HE MET 82 2HE MET 82 -0.730 2.028 12.310 544 3HE MET 82 3HE MET 82 -1.416 3.554 11.754 545 H ASP 83 H ASP 83 -2.904 -0.818 16.191 546 HA ASP 83 HA ASP 83 -1.043 -2.882 15.311 547 1HB ASP 83 1HB ASP 83 -3.826 -2.512 15.786 548 2HB ASP 83 2HB ASP 83 -3.657 -3.040 14.113 549 H MET 84 H MET 84 -0.549 -3.406 13.106 550 HA MET 84 HA MET 84 -0.209 -1.177 11.312 551 1HB MET 84 1HB MET 84 -0.158 -4.130 10.646 552 2HB MET 84 2HB MET 84 0.787 -2.840 9.901 553 1HG MET 84 1HG MET 84 1.563 -2.515 12.461 554 2HG MET 84 2HG MET 84 1.200 -4.240 12.498 555 1HE MET 84 1HE MET 84 3.474 -1.806 12.339 556 2HE MET 84 2HE MET 84 4.899 -2.329 11.445 557 3HE MET 84 3HE MET 84 3.611 -1.466 10.609 558 H GLN 85 H GLN 85 -1.668 -0.358 9.857 559 HA GLN 85 HA GLN 85 -3.675 -2.088 8.577 560 1HB GLN 85 1HB GLN 85 -4.346 -1.171 11.002 561 2HB GLN 85 2HB GLN 85 -4.777 0.260 10.065 562 1HG GLN 85 1HG GLN 85 -6.328 -0.962 8.728 563 2HG GLN 85 2HG GLN 85 -5.698 -2.512 9.282 564 2HE2 GLN 85 2HE2 GLN 85 -8.077 -2.882 9.896 565 1HE2 GLN 85 1HE2 GLN 85 -8.607 -2.298 11.398 566 H GLN 86 H GLN 86 -4.886 -0.853 6.895 567 HA GLN 86 HA GLN 86 -3.198 1.009 5.476 568 1HB GLN 86 1HB GLN 86 -5.114 -0.703 4.781 569 2HB GLN 86 2HB GLN 86 -6.135 0.725 4.952 570 1HG GLN 86 1HG GLN 86 -5.391 1.553 2.995 571 2HG GLN 86 2HG GLN 86 -3.716 1.406 3.525 572 2HE2 GLN 86 2HE2 GLN 86 -3.524 -1.418 3.816 573 1HE2 GLN 86 1HE2 GLN 86 -3.721 -2.142 2.293 574 H ILE 87 H ILE 87 -4.978 2.952 4.547 575 HA ILE 87 HA ILE 87 -5.820 5.091 5.091 576 HB ILE 87 HB ILE 87 -6.505 3.686 7.692 577 1HG1 ILE 87 1HG1 ILE 87 -8.698 3.803 5.869 578 2HG1 ILE 87 2HG1 ILE 87 -7.326 3.097 5.015 579 1HG2 ILE 87 1HG2 ILE 87 -7.434 6.182 6.296 580 2HG2 ILE 87 2HG2 ILE 87 -8.537 5.308 7.358 581 3HG2 ILE 87 3HG2 ILE 87 -7.022 5.950 7.995 582 1HD1 ILE 87 1HD1 ILE 87 -7.359 1.980 7.634 583 2HD1 ILE 87 2HD1 ILE 87 -9.003 1.884 7.003 584 3HD1 ILE 87 3HD1 ILE 87 -7.670 1.158 6.105 585 H LEU 88 H LEU 88 -5.484 6.924 6.709 586 HA LEU 88 HA LEU 88 -4.036 8.227 8.052 587 1HB LEU 88 1HB LEU 88 -4.380 5.707 9.224 588 2HB LEU 88 2HB LEU 88 -2.636 5.969 9.254 589 HG LEU 88 HG LEU 88 -3.603 6.897 11.288 590 1HD1 LEU 88 1HD1 LEU 88 -2.619 8.815 9.192 591 2HD1 LEU 88 2HD1 LEU 88 -3.101 9.422 10.775 592 3HD1 LEU 88 3HD1 LEU 88 -1.800 8.239 10.643 593 1HD2 LEU 88 1HD2 LEU 88 -5.779 7.480 9.616 594 2HD2 LEU 88 2HD2 LEU 88 -5.623 7.897 11.323 595 3HD2 LEU 88 3HD2 LEU 88 -5.136 9.053 10.085 596 H SER 89 H SER 89 -2.536 9.151 6.660 597 HA SER 89 HA SER 89 -0.236 7.457 5.755 598 1HB SER 89 1HB SER 89 -1.927 9.556 4.601 599 2HB SER 89 2HB SER 89 -0.206 9.858 4.357 600 HG SER 89 HG SER 89 -1.828 7.882 3.332 601 H ASP 90 H ASP 90 1.911 8.389 5.925 602 HA ASP 90 HA ASP 90 2.642 9.578 8.337 603 1HB ASP 90 1HB ASP 90 4.262 8.576 6.884 604 2HB ASP 90 2HB ASP 90 3.849 9.670 5.565 605 H GLU 91 H GLU 91 2.154 11.273 5.233 606 HA GLU 91 HA GLU 91 2.611 13.918 6.121 607 1HB GLU 91 1HB GLU 91 2.228 12.931 3.775 608 2HB GLU 91 2HB GLU 91 0.504 13.076 4.120 609 1HG GLU 91 1HG GLU 91 0.533 15.354 3.956 610 2HG GLU 91 2HG GLU 91 2.125 15.486 4.704 611 H GLU 92 H GLU 92 -0.069 11.781 6.720 612 HA GLU 92 HA GLU 92 -2.022 13.831 7.396 613 1HB GLU 92 1HB GLU 92 -2.243 11.308 6.707 614 2HB GLU 92 2HB GLU 92 -2.007 11.002 8.429 615 1HG GLU 92 1HG GLU 92 -4.139 11.578 8.862 616 2HG GLU 92 2HG GLU 92 -3.907 13.143 8.082 617 H VAL 93 H VAL 93 0.223 11.780 9.257 618 HA VAL 93 HA VAL 93 -0.634 12.824 11.843 619 HB VAL 93 HB VAL 93 1.967 11.433 11.170 620 1HG1 VAL 93 1HG1 VAL 93 1.435 12.254 13.514 621 2HG1 VAL 93 2HG1 VAL 93 0.094 11.109 13.528 622 3HG1 VAL 93 3HG1 VAL 93 1.752 10.524 13.385 623 1HG2 VAL 93 1HG2 VAL 93 -0.728 10.513 10.643 624 2HG2 VAL 93 2HG2 VAL 93 0.804 9.717 10.286 625 3HG2 VAL 93 3HG2 VAL 93 0.041 9.495 11.860 626 H GLU 94 H GLU 94 1.617 13.814 9.382 627 HA GLU 94 HA GLU 94 3.089 15.605 11.244 628 1HB GLU 94 1HB GLU 94 3.924 14.073 9.213 629 2HB GLU 94 2HB GLU 94 3.525 15.521 8.286 630 1HG GLU 94 1HG GLU 94 5.118 16.827 9.392 631 2HG GLU 94 2HG GLU 94 5.150 15.768 10.802 632 H GLU 95 H GLU 95 0.847 15.711 8.495 633 HA GLU 95 HA GLU 95 0.811 18.683 8.559 634 1HB GLU 95 1HB GLU 95 0.956 17.295 6.450 635 2HB GLU 95 2HB GLU 95 -0.673 16.713 6.794 636 1HG GLU 95 2HG GLU 95 -1.498 18.550 5.787 637 2HG GLU 95 1HG GLU 95 -0.758 19.535 7.050 638 H LYS 96 H LYS 96 -1.233 15.882 9.267 639 HA LYS 96 HA LYS 96 -3.413 17.723 10.174 640 1HB LYS 96 1HB LYS 96 -3.375 15.489 8.521 641 2HB LYS 96 2HB LYS 96 -3.952 14.843 10.058 642 1HG LYS 96 1HG LYS 96 -5.986 15.662 9.520 643 2HG LYS 96 2HG LYS 96 -5.313 17.274 9.757 644 1HD LYS 96 1HD LYS 96 -4.409 16.610 7.230 645 2HD LYS 96 2HD LYS 96 -6.019 15.889 7.264 646 1HE LYS 96 1HE LYS 96 -6.938 17.940 6.981 647 2HE LYS 96 2HE LYS 96 -6.156 18.499 8.472 648 1HZ LYS 96 1HZ LYS 96 -4.595 18.156 5.988 649 2HZ LYS 96 2HZ LYS 96 -5.480 19.584 6.245 650 3HZ LYS 96 3HZ LYS 96 -4.255 19.137 7.332 651 H ASP 97 H ASP 97 -1.107 15.308 11.216 652 HA ASP 97 HA ASP 97 -0.494 14.643 13.407 653 1HB ASP 97 2HB ASP 97 -2.536 16.582 14.465 654 2HB ASP 97 1HB ASP 97 -0.938 16.200 15.096 655 H VAL 98 H VAL 98 -3.155 13.829 11.913 656 HA VAL 98 HA VAL 98 -4.870 12.978 14.138 657 HB VAL 98 HB VAL 98 -4.822 12.653 11.132 658 1HG1 VAL 98 1HG1 VAL 98 -6.696 11.400 13.153 659 2HG1 VAL 98 2HG1 VAL 98 -7.131 11.624 11.458 660 3HG1 VAL 98 3HG1 VAL 98 -5.771 10.588 11.890 661 1HG2 VAL 98 1HG2 VAL 98 -6.540 14.137 13.131 662 2HG2 VAL 98 2HG2 VAL 98 -5.559 14.814 11.832 663 3HG2 VAL 98 3HG2 VAL 98 -7.024 13.911 11.451 664 H ARG 99 H ARG 99 -5.442 10.615 14.361 665 HA ARG 99 HA ARG 99 -3.876 8.495 13.278 666 1HB ARG 99 1HB ARG 99 -2.487 10.195 15.063 667 2HB ARG 99 2HB ARG 99 -2.795 8.703 15.953 668 1HG ARG 99 1HG ARG 99 -1.800 7.384 14.148 669 2HG ARG 99 2HG ARG 99 -1.569 8.840 13.180 670 1HD ARG 99 2HD ARG 99 0.479 9.014 14.154 671 2HD ARG 99 1HD ARG 99 -0.370 9.432 15.655 672 HE ARG 99 HE ARG 99 -0.144 7.150 16.374 673 1HH1 ARG 99 1HH1 ARG 99 -0.396 6.652 13.151 674 2HH1 ARG 99 2HH1 ARG 99 0.946 5.568 12.993 675 1HH2 ARG 99 1HH2 ARG 99 2.164 6.187 16.180 676 2HH2 ARG 99 2HH2 ARG 99 2.397 5.308 14.706 677 H LEU 100 H LEU 100 -4.257 6.447 14.438 678 HA LEU 100 HA LEU 100 -6.878 6.119 15.454 679 1HB LEU 100 1HB LEU 100 -4.632 4.578 14.776 680 2HB LEU 100 2HB LEU 100 -4.963 4.170 16.459 681 HG LEU 100 HG LEU 100 -7.489 4.237 15.283 682 1HD1 LEU 100 1HD1 LEU 100 -5.413 3.562 13.302 683 2HD1 LEU 100 2HD1 LEU 100 -6.690 2.353 13.445 684 3HD1 LEU 100 3HD1 LEU 100 -7.097 4.024 13.053 685 1HD2 LEU 100 1HD2 LEU 100 -5.639 1.873 15.737 686 2HD2 LEU 100 2HD2 LEU 100 -6.665 2.623 16.960 687 3HD2 LEU 100 3HD2 LEU 100 -7.395 1.785 15.590 688 H THR 101 H THR 101 -7.665 6.911 17.365 689 HA THR 101 HA THR 101 -5.798 7.313 19.656 690 HB THR 101 HB THR 101 -8.635 8.194 19.735 691 HG1 THR 101 HG1 THR 101 -6.856 9.665 18.152 692 1HG2 THR 101 1HG2 THR 101 -6.278 8.770 21.084 693 2HG2 THR 101 2HG2 THR 101 -6.498 10.165 20.026 694 3HG2 THR 101 3HG2 THR 101 -7.768 9.712 21.163 695 H CYS 102 H CYS 102 -8.189 5.154 18.515 696 HA CYS 102 HA CYS 102 -8.949 4.268 21.260 697 1HB CYS 102 1HB CYS 102 -9.950 3.147 18.641 698 2HB CYS 102 2HB CYS 102 -10.783 3.222 20.192 699 H ILE 103 H ILE 103 -8.744 1.957 21.780 700 HA ILE 103 HA ILE 103 -7.346 0.049 21.984 701 HB ILE 103 HB ILE 103 -7.606 0.200 18.966 702 1HG1 ILE 103 1HG1 ILE 103 -9.652 -1.367 20.252 703 2HG1 ILE 103 2HG1 ILE 103 -9.670 0.270 20.908 704 1HG2 ILE 103 1HG2 ILE 103 -6.600 -1.759 20.818 705 2HG2 ILE 103 2HG2 ILE 103 -8.048 -2.394 20.038 706 3HG2 ILE 103 3HG2 ILE 103 -6.685 -1.854 19.059 707 1HD1 ILE 103 1HD1 ILE 103 -9.295 0.278 18.019 708 2HD1 ILE 103 2HD1 ILE 103 -10.782 -0.552 18.477 709 3HD1 ILE 103 3HD1 ILE 103 -10.508 1.114 18.988 710 H GLY 104 H GLY 104 -5.994 2.752 21.500 711 1HA GLY 104 2HA GLY 104 -3.930 3.287 20.093 712 2HA GLY 104 1HA GLY 104 -3.407 1.649 20.479 713 H SER 105 H SER 105 -1.530 2.367 21.607 714 HA SER 105 HA SER 105 -2.093 3.781 24.195 715 1HB SER 105 1HB SER 105 -1.693 1.435 24.582 716 2HB SER 105 2HB SER 105 -0.301 1.439 23.499 717 HG SER 105 HG SER 105 -0.027 1.641 25.932 718 HA PRO 106 HA PRO 106 1.033 6.597 22.890 719 1HB PRO 106 1HB PRO 106 1.731 7.614 25.335 720 2HB PRO 106 2HB PRO 106 0.218 8.035 24.510 721 1HG PRO 106 1HG PRO 106 0.702 6.109 26.731 722 2HG PRO 106 2HG PRO 106 -0.655 7.214 26.474 723 1HD PRO 106 1HD PRO 106 -0.751 4.533 25.939 724 2HD PRO 106 2HD PRO 106 -1.755 5.740 25.110 725 H ALA 107 H ALA 107 3.020 5.833 22.240 726 HA ALA 107 HA ALA 107 4.546 3.956 23.913 727 1HB ALA 107 1HB ALA 107 5.065 5.290 21.234 728 2HB ALA 107 3HB ALA 107 4.354 3.696 21.478 729 3HB ALA 107 2HB ALA 107 6.039 3.986 21.912 730 H ALA 108 H ALA 108 4.423 7.369 23.423 731 HA ALA 108 HA ALA 108 7.205 7.763 24.415 732 1HB ALA 108 1HB ALA 108 6.663 9.105 22.535 733 2HB ALA 108 3HB ALA 108 6.483 10.203 23.904 734 3HB ALA 108 2HB ALA 108 5.056 9.478 23.161 735 H ASP 109 H ASP 109 7.574 9.080 26.318 736 HA ASP 109 HA ASP 109 5.901 8.579 28.555 737 1HB ASP 109 1HB ASP 109 8.260 10.170 27.830 738 2HB ASP 109 2HB ASP 109 7.320 10.893 29.134 739 H GLU 110 H GLU 110 6.540 11.944 27.675 740 HA GLU 110 HA GLU 110 3.713 12.610 28.262 741 1HB GLU 110 1HB GLU 110 6.358 13.882 28.309 742 2HB GLU 110 2HB GLU 110 5.108 14.931 27.640 743 1HG GLU 110 2HG GLU 110 4.791 15.400 29.872 744 2HG GLU 110 1HG GLU 110 3.748 13.983 29.750 745 H VAL 111 H VAL 111 2.342 12.472 26.509 746 HA VAL 111 HA VAL 111 3.392 13.315 23.827 747 HB VAL 111 HB VAL 111 1.206 11.392 24.681 748 1HG1 VAL 111 1HG1 VAL 111 2.010 12.492 21.997 749 2HG1 VAL 111 2HG1 VAL 111 1.326 10.872 22.125 750 3HG1 VAL 111 3HG1 VAL 111 0.390 12.269 22.662 751 1HG2 VAL 111 1HG2 VAL 111 4.053 11.159 23.942 752 2HG2 VAL 111 2HG2 VAL 111 3.034 10.051 24.862 753 3HG2 VAL 111 3HG2 VAL 111 2.987 10.034 23.099 754 H LYS 112 H LYS 112 2.298 14.962 22.766 755 HA LYS 112 HA LYS 112 0.018 16.228 24.224 756 1HB LYS 112 1HB LYS 112 1.915 17.211 22.066 757 2HB LYS 112 2HB LYS 112 0.664 18.194 22.829 758 1HG LYS 112 1HG LYS 112 1.914 17.228 25.034 759 2HG LYS 112 2HG LYS 112 3.272 17.273 23.909 760 1HD LYS 112 1HD LYS 112 1.417 19.634 24.217 761 2HD LYS 112 2HD LYS 112 2.796 19.408 25.294 762 1HE LYS 112 1HE LYS 112 3.850 18.982 22.730 763 2HE LYS 112 2HE LYS 112 2.765 20.374 22.546 764 1HZ LYS 112 1HZ LYS 112 4.728 20.063 24.760 765 2HZ LYS 112 2HZ LYS 112 5.030 20.969 23.355 766 3HZ LYS 112 3HZ LYS 112 3.787 21.434 24.416 767 H ILE 113 H ILE 113 -1.976 16.450 23.218 768 HA ILE 113 HA ILE 113 -2.306 15.985 20.335 769 HB ILE 113 HB ILE 113 -2.110 13.716 21.211 770 1HG1 ILE 113 1HG1 ILE 113 -5.044 13.777 21.011 771 2HG1 ILE 113 2HG1 ILE 113 -4.228 14.664 19.723 772 1HG2 ILE 113 1HG2 ILE 113 -2.907 14.604 23.561 773 2HG2 ILE 113 2HG2 ILE 113 -4.506 14.155 22.968 774 3HG2 ILE 113 3HG2 ILE 113 -3.238 12.935 23.097 775 1HD1 ILE 113 1HD1 ILE 113 -2.701 12.388 19.881 776 2HD1 ILE 113 2HD1 ILE 113 -4.308 11.764 20.250 777 3HD1 ILE 113 3HD1 ILE 113 -4.022 12.625 18.738 778 H VAL 114 H VAL 114 -4.195 16.967 19.618 779 HA VAL 114 HA VAL 114 -5.843 18.357 21.673 780 HB VAL 114 HB VAL 114 -5.961 18.626 18.661 781 1HG1 VAL 114 1HG1 VAL 114 -7.659 19.734 20.195 782 2HG1 VAL 114 2HG1 VAL 114 -6.326 20.691 20.843 783 3HG1 VAL 114 3HG1 VAL 114 -6.768 20.834 19.143 784 1HG2 VAL 114 1HG2 VAL 114 -3.905 19.657 20.606 785 2HG2 VAL 114 2HG2 VAL 114 -3.656 18.936 19.016 786 3HG2 VAL 114 3HG2 VAL 114 -4.297 20.574 19.151 787 H TYR 115 H TYR 115 -8.130 18.039 21.767 788 HA TYR 115 HA TYR 115 -9.086 15.615 20.299 789 1HB TYR 115 1HB TYR 115 -9.943 14.929 22.288 790 2HB TYR 115 2HB TYR 115 -8.890 16.147 22.994 791 HD1 TYR 115 HD1 TYR 115 -9.812 18.454 23.471 792 HD2 TYR 115 HD2 TYR 115 -12.307 15.136 22.368 793 HE1 TYR 115 HE1 TYR 115 -11.790 19.651 24.353 794 HE2 TYR 115 HE2 TYR 115 -14.290 16.336 23.254 795 HH TYR 115 HH TYR 115 -14.751 18.134 24.926 796 H ASN 116 H ASN 116 -11.583 15.676 20.022 797 HA ASN 116 HA ASN 116 -13.553 16.751 19.243 798 1HB ASN 116 1HB ASN 116 -12.221 18.706 20.764 799 2HB ASN 116 2HB ASN 116 -12.565 19.484 19.223 800 2HD2 ASN 116 2HD2 ASN 116 -14.516 20.593 19.398 801 1HD2 ASN 116 1HD2 ASN 116 -15.904 20.009 20.181 802 H ALA 117 H ALA 117 -10.970 16.100 17.673 803 HA ALA 117 HA ALA 117 -10.290 17.782 15.621 804 1HB ALA 117 1HB ALA 117 -9.536 15.461 15.883 805 2HB ALA 117 3HB ALA 117 -11.129 14.880 15.408 806 3HB ALA 117 2HB ALA 117 -10.118 15.724 14.240 807 H LYS 118 H LYS 118 -13.491 16.396 16.098 808 HA LYS 118 HA LYS 118 -14.729 16.503 13.640 809 1HB LYS 118 1HB LYS 118 -16.741 17.209 14.918 810 2HB LYS 118 2HB LYS 118 -15.818 15.985 15.788 811 1HG LYS 118 1HG LYS 118 -15.243 17.427 17.458 812 2HG LYS 118 2HG LYS 118 -15.011 18.774 16.348 813 1HD LYS 118 1HD LYS 118 -17.693 17.698 17.270 814 2HD LYS 118 2HD LYS 118 -16.932 19.181 17.848 815 1HE LYS 118 1HE LYS 118 -16.864 19.874 15.341 816 2HE LYS 118 2HE LYS 118 -18.066 18.591 15.112 817 H HIS 119 H HIS 119 -13.441 19.232 15.434 818 HA HIS 119 HA HIS 119 -14.817 21.346 14.051 819 1HB HIS 119 1HB HIS 119 -12.947 22.676 15.038 820 2HB HIS 119 2HB HIS 119 -13.664 21.569 16.209 821 HD1 HIS 119 HD1 HIS 119 -10.849 21.385 13.623 822 HD2 HIS 119 HD2 HIS 119 -11.699 20.125 17.512 823 HE1 HIS 119 HE1 HIS 119 -8.792 20.159 14.447 824 H LEU 120 H LEU 120 -12.152 19.278 13.200 825 HA LEU 120 HA LEU 120 -10.529 20.656 11.473 826 1HB LEU 120 1HB LEU 120 -11.567 17.966 11.774 827 2HB LEU 120 2HB LEU 120 -11.282 18.331 10.072 828 HG LEU 120 HG LEU 120 -9.099 19.365 11.633 829 1HD1 LEU 120 1HD1 LEU 120 -10.223 16.885 12.618 830 2HD1 LEU 120 2HD1 LEU 120 -8.606 16.610 11.972 831 3HD1 LEU 120 3HD1 LEU 120 -8.855 17.807 13.243 832 1HD2 LEU 120 1HD2 LEU 120 -9.583 17.465 9.384 833 2HD2 LEU 120 2HD2 LEU 120 -8.538 18.884 9.450 834 3HD2 LEU 120 3HD2 LEU 120 -8.020 17.372 10.195 835 H ASP 121 H ASP 121 -10.839 21.923 9.689 836 HA ASP 121 HA ASP 121 -13.439 22.498 8.615 837 1HB ASP 121 2HB ASP 121 -12.142 23.834 7.029 838 2HB ASP 121 1HB ASP 121 -11.406 23.972 8.625 839 H TYR 122 H TYR 122 -11.356 19.854 8.129 840 HA TYR 122 HA TYR 122 -11.987 19.309 5.330 841 1HB TYR 122 1HB TYR 122 -10.097 18.536 7.172 842 2HB TYR 122 2HB TYR 122 -11.133 17.110 7.105 843 HD1 TYR 122 HD1 TYR 122 -9.477 19.591 4.827 844 HD2 TYR 122 HD2 TYR 122 -10.786 15.542 5.410 845 HE1 TYR 122 HE1 TYR 122 -8.451 18.948 2.662 846 HE2 TYR 122 HE2 TYR 122 -9.761 14.899 3.245 847 HH TYR 122 HH TYR 122 -9.050 15.889 1.183 848 H LEU 123 H LEU 123 -13.435 18.585 8.435 849 HA LEU 123 HA LEU 123 -15.315 16.645 7.149 850 1HB LEU 123 1HB LEU 123 -14.227 17.155 9.892 851 2HB LEU 123 2HB LEU 123 -15.821 16.415 9.760 852 HG LEU 123 HG LEU 123 -14.157 15.099 7.876 853 1HD1 LEU 123 1HD1 LEU 123 -12.893 15.376 10.621 854 2HD1 LEU 123 2HD1 LEU 123 -12.395 14.208 9.398 855 3HD1 LEU 123 3HD1 LEU 123 -12.207 15.935 9.095 856 1HD2 LEU 123 1HD2 LEU 123 -16.124 14.315 9.373 857 2HD2 LEU 123 2HD2 LEU 123 -14.821 13.168 9.062 858 3HD2 LEU 123 3HD2 LEU 123 -14.890 14.029 10.601 859 H GLN 124 H GLN 124 -15.093 19.804 8.610 860 HA GLN 124 HA GLN 124 -17.740 20.261 9.478 861 1HB GLN 124 1HB GLN 124 -15.394 21.664 9.204 862 2HB GLN 124 2HB GLN 124 -16.424 22.459 8.013 863 1HG GLN 124 1HG GLN 124 -17.293 23.627 9.742 864 2HG GLN 124 2HG GLN 124 -18.099 22.129 10.209 865 2HE2 GLN 124 2HE2 GLN 124 -15.589 24.382 11.083 866 1HE2 GLN 124 1HE2 GLN 124 -15.041 23.555 12.460 867 H ASN 125 H ASN 125 -16.483 19.950 6.228 868 HA ASN 125 HA ASN 125 -18.550 21.339 4.801 869 1HB ASN 125 1HB ASN 125 -16.187 19.947 4.284 870 2HB ASN 125 2HB ASN 125 -17.427 18.984 3.480 871 2HD2 ASN 125 2HD2 ASN 125 -16.859 22.532 3.932 872 1HD2 ASN 125 1HD2 ASN 125 -17.092 22.922 2.296 873 H ARG 126 H ARG 126 -18.557 18.329 6.502 874 HA ARG 126 HA ARG 126 -20.783 17.168 4.960 875 1HB ARG 126 1HB ARG 126 -18.739 16.113 6.336 876 2HB ARG 126 2HB ARG 126 -19.921 16.175 7.644 877 1HG ARG 126 1HG ARG 126 -21.250 14.572 6.694 878 2HG ARG 126 2HG ARG 126 -20.922 15.131 5.053 879 1HD ARG 126 1HD ARG 126 -18.503 14.189 5.512 880 2HD ARG 126 2HD ARG 126 -19.326 13.235 6.760 881 HE ARG 126 HE ARG 126 -20.320 13.275 3.931 882 1HH1 ARG 126 1HH1 ARG 126 -22.048 11.518 4.469 883 2HH1 ARG 126 2HH1 ARG 126 -21.330 10.016 4.949 884 1HH2 ARG 126 1HH2 ARG 126 -18.210 11.402 5.564 885 2HH2 ARG 126 2HH2 ARG 126 -19.156 9.950 5.571 886 H VAL 127 H VAL 127 -20.836 19.774 6.775 887 HA VAL 127 HA VAL 127 -22.799 19.150 8.834 888 HB VAL 127 HB VAL 127 -21.203 21.011 8.985 889 1HG1 VAL 127 1HG1 VAL 127 -21.777 21.351 6.292 890 2HG1 VAL 127 2HG1 VAL 127 -22.561 22.740 7.047 891 3HG1 VAL 127 3HG1 VAL 127 -20.836 22.464 7.287 892 1HG2 VAL 127 1HG2 VAL 127 -23.881 21.123 9.608 893 2HG2 VAL 127 2HG2 VAL 127 -22.686 22.324 10.098 894 3HG2 VAL 127 3HG2 VAL 127 -23.666 22.591 8.656 895 H ILE 128 H ILE 128 -22.917 20.069 5.449 896 HA ILE 128 HA ILE 128 -25.871 20.495 5.627 897 HB ILE 128 HB ILE 128 -24.516 22.256 4.589 898 1HG1 ILE 128 1HG1 ILE 128 -25.645 21.047 2.140 899 2HG1 ILE 128 2HG1 ILE 128 -26.758 21.123 3.506 900 1HG2 ILE 128 1HG2 ILE 128 -23.516 19.956 2.895 901 2HG2 ILE 128 2HG2 ILE 128 -23.332 21.640 2.405 902 3HG2 ILE 128 3HG2 ILE 128 -22.566 21.065 3.886 903 1HD1 ILE 128 1HD1 ILE 128 -25.741 23.597 3.690 904 2HD1 ILE 128 2HD1 ILE 128 -25.491 23.341 1.962 905 3HD1 ILE 128 3HD1 ILE 128 -27.113 23.233 2.645 No H/Q in entry = 905 Start of MODEL 17 1 H2 PRO 1 H2 PRO 1 3.724 8.375 30.682 2 H3 PRO 1 H3 PRO 1 4.493 7.394 29.523 3 HA PRO 1 HA PRO 1 2.724 7.624 28.219 4 1HB PRO 1 1HB PRO 1 0.637 6.429 29.526 5 2HB PRO 1 2HB PRO 1 1.985 5.518 28.817 6 1HG PRO 1 1HG PRO 1 1.505 6.307 31.651 7 2HG PRO 1 2HG PRO 1 2.144 4.793 30.996 8 1HD PRO 1 1HD PRO 1 3.712 6.735 32.086 9 2HD PRO 1 2HD PRO 1 4.276 5.621 30.824 10 H THR 2 H THR 2 3.000 10.063 29.122 11 HA THR 2 HA THR 2 0.451 10.915 30.439 12 HB THR 2 HB THR 2 3.133 12.280 30.030 13 HG1 THR 2 HG1 THR 2 3.337 10.755 31.581 14 1HG2 THR 2 1HG2 THR 2 0.872 13.649 30.213 15 2HG2 THR 2 2HG2 THR 2 1.033 13.254 31.925 16 3HG2 THR 2 3HG2 THR 2 2.306 14.157 31.104 17 H VAL 3 H VAL 3 -0.936 11.011 28.606 18 HA VAL 3 HA VAL 3 -0.047 12.590 26.250 19 HB VAL 3 HB VAL 3 -2.645 11.112 26.763 20 1HG1 VAL 3 1HG1 VAL 3 -1.672 12.725 24.626 21 2HG1 VAL 3 2HG1 VAL 3 -1.688 11.054 24.059 22 3HG1 VAL 3 3HG1 VAL 3 -3.167 11.789 24.681 23 1HG2 VAL 3 1HG2 VAL 3 -0.481 9.739 27.044 24 2HG2 VAL 3 2HG2 VAL 3 -1.661 9.137 25.879 25 3HG2 VAL 3 3HG2 VAL 3 -0.232 10.006 25.319 26 H GLU 4 H GLU 4 -0.433 14.777 26.366 27 HA GLU 4 HA GLU 4 -2.496 15.836 28.192 28 1HB GLU 4 1HB GLU 4 -0.062 16.667 27.643 29 2HB GLU 4 2HB GLU 4 -0.835 17.432 26.256 30 1HG GLU 4 1HG GLU 4 -1.869 18.994 27.546 31 2HG GLU 4 2HG GLU 4 -2.265 17.825 28.806 32 H TYR 5 H TYR 5 -4.582 16.031 27.460 33 HA TYR 5 HA TYR 5 -5.097 16.233 24.538 34 1HB TYR 5 1HB TYR 5 -7.399 15.727 25.227 35 2HB TYR 5 2HB TYR 5 -6.286 14.599 26.000 36 HD1 TYR 5 HD1 TYR 5 -8.351 17.636 26.522 37 HD2 TYR 5 HD2 TYR 5 -5.963 14.587 28.381 38 HE1 TYR 5 HE1 TYR 5 -9.184 18.341 28.747 39 HE2 TYR 5 HE2 TYR 5 -6.796 15.295 30.609 40 HH TYR 5 HH TYR 5 -8.560 16.475 31.619 41 H LEU 6 H LEU 6 -5.744 18.145 23.597 42 HA LEU 6 HA LEU 6 -6.527 20.410 25.405 43 1HB LEU 6 1HB LEU 6 -4.222 20.675 24.714 44 2HB LEU 6 2HB LEU 6 -4.631 20.313 23.040 45 HG LEU 6 HG LEU 6 -5.717 22.383 22.731 46 1HD1 LEU 6 1HD1 LEU 6 -5.847 22.453 25.747 47 2HD1 LEU 6 2HD1 LEU 6 -6.090 23.911 24.784 48 3HD1 LEU 6 3HD1 LEU 6 -7.177 22.535 24.592 49 1HD2 LEU 6 1HD2 LEU 6 -3.108 22.336 23.493 50 2HD2 LEU 6 2HD2 LEU 6 -3.938 23.792 22.941 51 3HD2 LEU 6 3HD2 LEU 6 -3.765 23.476 24.668 52 H ASN 7 H ASN 7 -8.552 21.108 24.861 53 HA ASN 7 HA ASN 7 -10.068 20.227 22.630 54 1HB ASN 7 1HB ASN 7 -10.836 21.269 24.803 55 2HB ASN 7 2HB ASN 7 -10.337 22.831 24.157 56 2HD2 ASN 7 2HD2 ASN 7 -12.542 23.653 24.037 57 1HD2 ASN 7 1HD2 ASN 7 -13.656 23.054 22.906 58 H TYR 8 H TYR 8 -9.656 20.682 20.495 59 HA TYR 8 HA TYR 8 -7.912 22.728 19.556 60 1HB TYR 8 1HB TYR 8 -8.355 21.021 18.037 61 2HB TYR 8 2HB TYR 8 -10.068 20.965 18.446 62 HD1 TYR 8 HD1 TYR 8 -11.573 22.864 17.682 63 HD2 TYR 8 HD2 TYR 8 -7.572 22.334 16.215 64 HE1 TYR 8 HE1 TYR 8 -12.098 24.305 15.737 65 HE2 TYR 8 HE2 TYR 8 -8.095 23.781 14.270 66 HH TYR 8 HH TYR 8 -11.078 24.492 13.259 67 H GLU 9 H GLU 9 -11.282 22.832 20.511 68 HA GLU 9 HA GLU 9 -12.046 25.242 19.138 69 1HB GLU 9 1HB GLU 9 -13.119 23.322 20.941 70 2HB GLU 9 2HB GLU 9 -13.365 24.907 21.676 71 1HG GLU 9 1HG GLU 9 -13.929 24.930 18.811 72 2HG GLU 9 2HG GLU 9 -14.938 23.769 19.674 73 H THR 10 H THR 10 -10.648 24.637 22.367 74 HA THR 10 HA THR 10 -10.771 27.272 23.405 75 HB THR 10 HB THR 10 -8.866 24.944 23.718 76 HG1 THR 10 HG1 THR 10 -10.838 26.126 25.380 77 1HG2 THR 10 1HG2 THR 10 -8.542 27.711 24.613 78 2HG2 THR 10 2HG2 THR 10 -8.520 26.555 25.945 79 3HG2 THR 10 3HG2 THR 10 -7.376 26.387 24.613 80 H LEU 11 H LEU 11 -8.619 25.826 21.030 81 HA LEU 11 HA LEU 11 -6.557 27.833 21.071 82 1HB LEU 11 1HB LEU 11 -6.016 25.800 20.037 83 2HB LEU 11 2HB LEU 11 -7.566 25.699 19.205 84 HG LEU 11 HG LEU 11 -6.917 27.461 17.667 85 1HD1 LEU 11 1HD1 LEU 11 -5.585 28.736 19.397 86 2HD1 LEU 11 2HD1 LEU 11 -4.274 27.583 19.143 87 3HD1 LEU 11 3HD1 LEU 11 -4.808 28.619 17.819 88 1HD2 LEU 11 1HD2 LEU 11 -5.657 24.951 17.853 89 2HD2 LEU 11 2HD2 LEU 11 -5.785 25.966 16.417 90 3HD2 LEU 11 3HD2 LEU 11 -4.371 26.092 17.463 91 H ASP 12 H ASP 12 -9.516 27.433 19.106 92 HA ASP 12 HA ASP 12 -9.076 29.915 17.621 93 1HB ASP 12 1HB ASP 12 -11.074 27.710 17.813 94 2HB ASP 12 2HB ASP 12 -11.640 29.240 17.143 95 H ASP 13 H ASP 13 -11.380 28.856 20.155 96 HA ASP 13 HA ASP 13 -12.858 31.222 20.465 97 1HB ASP 13 1HB ASP 13 -11.862 29.182 22.476 98 2HB ASP 13 2HB ASP 13 -13.118 30.368 22.828 99 H GLN 14 H GLN 14 -9.803 30.329 22.111 100 HA GLN 14 HA GLN 14 -9.579 32.931 23.426 101 1HB GLN 14 1HB GLN 14 -8.511 30.326 23.637 102 2HB GLN 14 2HB GLN 14 -7.140 31.374 23.274 103 1HG GLN 14 1HG GLN 14 -7.189 31.675 25.553 104 2HG GLN 14 2HG GLN 14 -8.368 32.911 25.111 105 2HE2 GLN 14 2HE2 GLN 14 -7.921 30.181 27.071 106 1HE2 GLN 14 1HE2 GLN 14 -9.552 29.823 27.379 107 H GLY 15 H GLY 15 -8.789 31.703 20.315 108 1HA GLY 15 2HA GLY 15 -7.664 34.231 19.471 109 2HA GLY 15 1HA GLY 15 -7.745 32.765 18.492 110 H TRP 16 H TRP 16 -6.331 31.161 20.533 111 HA TRP 16 HA TRP 16 -3.643 32.412 20.679 112 1HB TRP 16 1HB TRP 16 -5.010 29.974 21.817 113 2HB TRP 16 2HB TRP 16 -3.268 30.194 21.963 114 HD1 TRP 16 HD1 TRP 16 -4.534 33.540 21.997 115 HE1 TRP 16 HE1 TRP 16 -4.867 34.436 24.391 116 HE3 TRP 16 HE3 TRP 16 -4.315 29.161 24.613 117 HZ2 TRP 16 HZ2 TRP 16 -5.020 33.426 27.064 118 HZ3 TRP 16 HZ3 TRP 16 -4.557 29.156 27.079 119 HH2 TRP 16 HH2 TRP 16 -4.909 31.280 28.308 120 H ASP 17 H ASP 17 -2.018 30.207 20.494 121 HA ASP 17 HA ASP 17 -2.544 29.024 17.796 122 1HB ASP 17 1HB ASP 17 -1.105 31.105 17.742 123 2HB ASP 17 2HB ASP 17 0.074 30.240 18.729 124 H MET 18 H MET 18 -1.355 27.016 17.443 125 HA MET 18 HA MET 18 -1.037 25.413 19.852 126 1HB MET 18 1HB MET 18 -0.844 25.087 16.881 127 2HB MET 18 2HB MET 18 -0.132 23.836 17.900 128 1HG MET 18 1HG MET 18 -2.890 24.794 18.557 129 2HG MET 18 2HG MET 18 -2.689 23.719 17.174 130 1HE MET 18 1HE MET 18 -3.972 23.834 20.157 131 2HE MET 18 2HE MET 18 -3.481 22.504 21.201 132 3HE MET 18 3HE MET 18 -2.524 23.982 21.163 133 H ASP 19 H ASP 19 1.062 27.436 18.018 134 HA ASP 19 HA ASP 19 3.458 26.130 19.271 135 1HB ASP 19 1HB ASP 19 3.115 27.718 16.707 136 2HB ASP 19 2HB ASP 19 4.663 27.127 17.311 137 H ASP 20 H ASP 20 1.854 29.205 18.506 138 HA ASP 20 HA ASP 20 3.926 30.846 19.750 139 1HB ASP 20 1HB ASP 20 1.604 31.126 18.111 140 2HB ASP 20 2HB ASP 20 1.389 32.159 19.524 141 H ASP 21 H ASP 21 0.459 30.741 20.605 142 HA ASP 21 HA ASP 21 0.921 31.535 23.332 143 1HB ASP 21 1HB ASP 21 -1.173 31.450 21.606 144 2HB ASP 21 2HB ASP 21 -1.538 30.044 22.605 145 H ASP 22 H ASP 22 1.219 28.491 21.771 146 HA ASP 22 HA ASP 22 1.456 26.292 22.625 147 1HB ASP 22 1HB ASP 22 2.958 28.239 24.097 148 2HB ASP 22 2HB ASP 22 2.399 27.007 25.229 149 H LEU 23 H LEU 23 -1.160 26.973 22.820 150 HA LEU 23 HA LEU 23 -2.585 27.272 25.134 151 1HB LEU 23 1HB LEU 23 -2.876 25.329 22.842 152 2HB LEU 23 2HB LEU 23 -4.110 25.451 24.096 153 HG LEU 23 HG LEU 23 -3.343 28.090 23.195 154 1HD1 LEU 23 1HD1 LEU 23 -3.505 26.030 21.146 155 2HD1 LEU 23 2HD1 LEU 23 -4.758 27.252 20.926 156 3HD1 LEU 23 3HD1 LEU 23 -3.060 27.730 20.984 157 1HD2 LEU 23 1HD2 LEU 23 -5.445 27.409 24.368 158 2HD2 LEU 23 2HD2 LEU 23 -5.752 28.298 22.876 159 3HD2 LEU 23 3HD2 LEU 23 -5.937 26.545 22.912 160 H PHE 24 H PHE 24 -1.187 24.137 24.101 161 HA PHE 24 HA PHE 24 -1.959 22.489 26.213 162 1HB PHE 24 1HB PHE 24 0.482 22.754 24.482 163 2HB PHE 24 2HB PHE 24 0.476 21.548 25.767 164 HD1 PHE 24 HD1 PHE 24 -1.635 19.999 25.886 165 HD2 PHE 24 HD2 PHE 24 -0.471 22.238 22.411 166 HE1 PHE 24 HE1 PHE 24 -2.974 18.479 24.457 167 HE2 PHE 24 HE2 PHE 24 -1.808 20.716 20.981 168 HZ PHE 24 HZ PHE 24 -3.057 18.835 22.005 169 H GLU 25 H GLU 25 0.466 25.029 26.175 170 HA GLU 25 HA GLU 25 1.324 24.349 28.949 171 1HB GLU 25 1HB GLU 25 2.506 25.428 26.568 172 2HB GLU 25 2HB GLU 25 2.665 26.616 27.861 173 1HG GLU 25 2HG GLU 25 4.520 25.354 28.357 174 2HG GLU 25 1HG GLU 25 3.328 24.399 29.238 175 H LYS 26 H LYS 26 0.149 27.176 27.078 176 HA LYS 26 HA LYS 26 -0.095 28.953 29.303 177 1HB LYS 26 1HB LYS 26 -0.087 29.603 26.924 178 2HB LYS 26 2HB LYS 26 -1.628 28.779 26.687 179 1HG LYS 26 2HG LYS 26 -2.449 30.888 27.086 180 2HG LYS 26 1HG LYS 26 -2.304 30.360 28.762 181 1HD LYS 26 1HD LYS 26 0.245 31.345 27.891 182 2HD LYS 26 2HD LYS 26 -0.985 32.546 27.499 183 1HE LYS 26 2HE LYS 26 -0.926 33.176 29.680 184 2HE LYS 26 1HE LYS 26 -1.639 31.603 30.085 185 1HZ LYS 26 1HZ LYS 26 0.636 30.660 29.953 186 2HZ LYS 26 2HZ LYS 26 1.251 32.232 29.765 187 3HZ LYS 26 3HZ LYS 26 0.462 31.795 31.204 188 H ALA 27 H ALA 27 -2.176 26.377 28.137 189 HA ALA 27 HA ALA 27 -4.577 27.217 29.525 190 1HB ALA 27 1HB ALA 27 -4.371 25.628 27.569 191 2HB ALA 27 2HB ALA 27 -3.686 24.442 28.680 192 3HB ALA 27 3HB ALA 27 -5.345 25.000 28.899 193 H ALA 28 H ALA 28 -1.618 25.787 30.547 194 HA ALA 28 HA ALA 28 -2.666 24.365 32.869 195 1HB ALA 28 1HB ALA 28 0.142 25.380 32.371 196 2HB ALA 28 3HB ALA 28 -0.509 23.966 31.543 197 3HB ALA 28 2HB ALA 28 -0.344 23.961 33.299 198 H ASP 29 H ASP 29 -1.736 27.652 32.151 199 HA ASP 29 HA ASP 29 -1.650 28.339 35.056 200 1HB ASP 29 1HB ASP 29 -0.766 29.607 32.471 201 2HB ASP 29 2HB ASP 29 -0.923 30.587 33.929 202 H ALA 30 H ALA 30 -4.044 27.920 32.930 203 HA ALA 30 HA ALA 30 -5.489 30.443 33.656 204 1HB ALA 30 1HB ALA 30 -6.210 28.467 31.490 205 2HB ALA 30 3HB ALA 30 -5.008 29.729 31.222 206 3HB ALA 30 2HB ALA 30 -6.672 30.165 31.612 207 H GLY 31 H GLY 31 -5.768 26.907 33.491 208 1HA GLY 31 2HA GLY 31 -7.788 27.003 35.643 209 2HA GLY 31 1HA GLY 31 -6.995 25.550 35.036 210 H LEU 32 H LEU 32 -7.530 26.143 32.230 211 HA LEU 32 HA LEU 32 -10.210 26.655 31.557 212 1HB LEU 32 1HB LEU 32 -7.958 25.006 30.470 213 2HB LEU 32 2HB LEU 32 -9.547 24.833 29.724 214 HG LEU 32 HG LEU 32 -8.541 27.602 30.235 215 1HD1 LEU 32 1HD1 LEU 32 -7.268 25.613 28.446 216 2HD1 LEU 32 2HD1 LEU 32 -7.637 27.168 27.703 217 3HD1 LEU 32 3HD1 LEU 32 -6.605 27.097 29.131 218 1HD2 LEU 32 1HD2 LEU 32 -10.530 26.200 28.599 219 2HD2 LEU 32 2HD2 LEU 32 -10.494 27.884 29.122 220 3HD2 LEU 32 3HD2 LEU 32 -9.601 27.388 27.683 221 H ASP 33 H ASP 33 -11.602 24.676 30.565 222 HA ASP 33 HA ASP 33 -12.497 23.103 32.834 223 1HB ASP 33 1HB ASP 33 -13.139 23.228 29.879 224 2HB ASP 33 2HB ASP 33 -13.972 22.123 30.972 225 H GLY 34 H GLY 34 -12.290 20.826 33.110 226 1HA GLY 34 2HA GLY 34 -11.064 18.818 33.073 227 2HA GLY 34 1HA GLY 34 -9.848 19.649 32.105 228 H GLU 35 H GLU 35 -13.148 19.683 31.007 229 HA GLU 35 HA GLU 35 -12.968 17.288 29.356 230 1HB GLU 35 1HB GLU 35 -15.041 18.388 30.327 231 2HB GLU 35 2HB GLU 35 -14.835 19.666 29.129 232 1HG GLU 35 1HG GLU 35 -15.128 18.132 27.312 233 2HG GLU 35 2HG GLU 35 -15.001 16.737 28.384 234 H ASP 36 H ASP 36 -11.382 20.185 29.103 235 HA ASP 36 HA ASP 36 -11.332 20.030 26.104 236 1HB ASP 36 1HB ASP 36 -11.127 22.424 27.963 237 2HB ASP 36 2HB ASP 36 -10.973 22.498 26.208 238 H TYR 37 H TYR 37 -9.469 21.151 28.959 239 HA TYR 37 HA TYR 37 -6.983 20.224 27.556 240 1HB TYR 37 1HB TYR 37 -7.023 22.610 27.437 241 2HB TYR 37 2HB TYR 37 -7.597 22.753 29.099 242 HD1 TYR 37 HD1 TYR 37 -4.701 21.543 27.063 243 HD2 TYR 37 HD2 TYR 37 -6.068 22.967 30.877 244 HE1 TYR 37 HE1 TYR 37 -2.357 21.642 27.865 245 HE2 TYR 37 HE2 TYR 37 -3.724 23.066 31.681 246 HH TYR 37 HH TYR 37 -1.008 22.217 29.530 247 H GLY 38 H GLY 38 -5.646 18.962 28.828 248 1HA GLY 38 2HA GLY 38 -6.602 18.022 31.391 249 2HA GLY 38 1HA GLY 38 -5.222 19.101 31.584 250 H THR 39 H THR 39 -4.491 16.804 32.457 251 HA THR 39 HA THR 39 -2.755 15.668 30.352 252 HB THR 39 HB THR 39 -2.740 14.585 33.107 253 HG1 THR 39 HG1 THR 39 -1.827 17.214 32.733 254 1HG2 THR 39 1HG2 THR 39 -0.877 15.358 30.954 255 2HG2 THR 39 2HG2 THR 39 -0.290 15.680 32.585 256 3HG2 THR 39 3HG2 THR 39 -0.763 14.044 32.125 257 H MET 40 H MET 40 -3.075 13.658 29.451 258 HA MET 40 HA MET 40 -5.404 12.057 30.438 259 1HB MET 40 1HB MET 40 -4.800 13.116 27.969 260 2HB MET 40 2HB MET 40 -4.206 11.463 27.810 261 1HG MET 40 1HG MET 40 -6.324 10.531 28.186 262 2HG MET 40 2HG MET 40 -6.924 11.983 28.988 263 1HE MET 40 1HE MET 40 -7.305 9.837 26.557 264 2HE MET 40 2HE MET 40 -7.988 10.620 25.125 265 3HE MET 40 3HE MET 40 -6.249 10.370 25.251 266 H GLU 41 H GLU 41 -3.912 11.089 32.104 267 HA GLU 41 HA GLU 41 -1.572 9.582 31.330 268 1HB GLU 41 1HB GLU 41 -2.586 10.537 33.628 269 2HB GLU 41 2HB GLU 41 -3.176 8.879 33.744 270 1HG GLU 41 1HG GLU 41 -0.312 9.369 32.989 271 2HG GLU 41 2HG GLU 41 -0.790 9.487 34.684 272 H VAL 42 H VAL 42 -1.686 7.771 30.059 273 HA VAL 42 HA VAL 42 -4.050 5.951 30.390 274 HB VAL 42 HB VAL 42 -2.154 6.149 28.037 275 1HG1 VAL 42 1HG1 VAL 42 -3.675 4.151 28.303 276 2HG1 VAL 42 2HG1 VAL 42 -5.046 5.257 28.207 277 3HG1 VAL 42 3HG1 VAL 42 -3.957 5.081 26.831 278 1HG2 VAL 42 1HG2 VAL 42 -3.164 8.372 28.491 279 2HG2 VAL 42 2HG2 VAL 42 -3.780 7.669 26.997 280 3HG2 VAL 42 3HG2 VAL 42 -4.765 7.636 28.460 281 H ALA 43 H ALA 43 -3.364 4.343 31.794 282 HA ALA 43 HA ALA 43 -0.832 3.446 32.438 283 1HB ALA 43 1HB ALA 43 -3.519 2.139 32.142 284 2HB ALA 43 3HB ALA 43 -2.130 1.137 32.562 285 3HB ALA 43 2HB ALA 43 -2.601 2.476 33.610 286 H GLU 44 H GLU 44 0.578 1.788 31.608 287 HA GLU 44 HA GLU 44 0.876 1.702 28.753 288 1HB GLU 44 1HB GLU 44 2.221 0.865 31.147 289 2HB GLU 44 2HB GLU 44 2.203 -0.486 30.012 290 1HG GLU 44 1HG GLU 44 2.891 1.369 28.265 291 2HG GLU 44 2HG GLU 44 3.433 2.234 29.704 292 H GLY 45 H GLY 45 -0.362 0.520 27.357 293 1HA GLY 45 2HA GLY 45 -1.195 -2.216 28.159 294 2HA GLY 45 1HA GLY 45 -1.176 -1.594 26.508 295 H GLU 46 H GLU 46 -2.447 0.740 28.547 296 HA GLU 46 HA GLU 46 -5.233 -0.277 28.456 297 1HB GLU 46 1HB GLU 46 -3.817 1.053 30.322 298 2HB GLU 46 2HB GLU 46 -4.491 2.433 29.455 299 1HG GLU 46 2HG GLU 46 -6.332 2.118 30.742 300 2HG GLU 46 1HG GLU 46 -6.669 0.750 29.682 301 H TYR 47 H TYR 47 -6.757 0.538 27.026 302 HA TYR 47 HA TYR 47 -5.937 1.997 24.695 303 1HB TYR 47 2HB TYR 47 -8.734 1.720 25.826 304 2HB TYR 47 1HB TYR 47 -8.267 1.846 24.130 305 HD1 TYR 47 HD1 TYR 47 -5.936 0.017 24.032 306 HD2 TYR 47 HD2 TYR 47 -9.731 -0.418 25.997 307 HE1 TYR 47 HE1 TYR 47 -5.716 -2.451 23.910 308 HE2 TYR 47 HE2 TYR 47 -9.512 -2.885 25.875 309 HH TYR 47 HH TYR 47 -8.342 -4.566 24.615 310 H ILE 48 H ILE 48 -6.049 4.195 24.234 311 HA ILE 48 HA ILE 48 -5.890 6.149 26.254 312 HB ILE 48 HB ILE 48 -6.752 6.260 23.350 313 1HG1 ILE 48 1HG1 ILE 48 -4.151 7.328 24.278 314 2HG1 ILE 48 2HG1 ILE 48 -4.338 5.581 24.415 315 1HG2 ILE 48 1HG2 ILE 48 -6.442 8.395 25.407 316 2HG2 ILE 48 2HG2 ILE 48 -5.777 8.724 23.807 317 3HG2 ILE 48 3HG2 ILE 48 -7.490 8.345 23.989 318 1HD1 ILE 48 1HD1 ILE 48 -5.414 6.282 21.898 319 2HD1 ILE 48 2HD1 ILE 48 -3.900 7.175 22.045 320 3HD1 ILE 48 3HD1 ILE 48 -3.908 5.419 22.210 321 H LEU 49 H LEU 49 -8.694 5.808 24.037 322 HA LEU 49 HA LEU 49 -10.527 7.458 25.273 323 1HB LEU 49 1HB LEU 49 -11.122 6.340 23.273 324 2HB LEU 49 2HB LEU 49 -10.775 4.752 23.957 325 HG LEU 49 HG LEU 49 -12.681 5.130 25.573 326 1HD1 LEU 49 1HD1 LEU 49 -12.543 7.698 25.079 327 2HD1 LEU 49 2HD1 LEU 49 -13.577 7.312 23.705 328 3HD1 LEU 49 3HD1 LEU 49 -14.124 6.965 25.345 329 1HD2 LEU 49 1HD2 LEU 49 -12.804 3.904 23.307 330 2HD2 LEU 49 2HD2 LEU 49 -14.329 4.421 24.025 331 3HD2 LEU 49 3HD2 LEU 49 -13.614 5.353 22.710 332 H GLU 50 H GLU 50 -9.456 4.286 26.423 333 HA GLU 50 HA GLU 50 -11.489 3.906 28.425 334 1HB GLU 50 1HB GLU 50 -9.207 2.604 27.399 335 2HB GLU 50 2HB GLU 50 -8.880 2.834 29.115 336 1HG GLU 50 1HG GLU 50 -11.030 1.787 29.682 337 2HG GLU 50 2HG GLU 50 -11.402 1.595 27.969 338 H ALA 51 H ALA 51 -8.158 5.204 28.634 339 HA ALA 51 HA ALA 51 -8.364 5.965 31.413 340 1HB ALA 51 1HB ALA 51 -6.394 7.528 30.352 341 2HB ALA 51 2HB ALA 51 -6.525 6.285 29.108 342 3HB ALA 51 3HB ALA 51 -6.165 5.831 30.774 343 H ALA 52 H ALA 52 -9.038 7.580 28.354 344 HA ALA 52 HA ALA 52 -9.442 10.216 29.532 345 1HB ALA 52 1HB ALA 52 -9.643 8.854 26.904 346 2HB ALA 52 3HB ALA 52 -10.672 10.271 27.110 347 3HB ALA 52 2HB ALA 52 -8.926 10.415 27.307 348 H GLU 53 H GLU 53 -11.550 7.604 28.378 349 HA GLU 53 HA GLU 53 -14.056 8.875 28.859 350 1HB GLU 53 1HB GLU 53 -13.639 6.791 27.552 351 2HB GLU 53 2HB GLU 53 -13.271 5.947 29.056 352 1HG GLU 53 1HG GLU 53 -15.711 7.154 29.591 353 2HG GLU 53 2HG GLU 53 -15.871 6.659 27.907 354 H ALA 54 H ALA 54 -11.760 7.308 30.995 355 HA ALA 54 HA ALA 54 -13.606 7.074 33.256 356 1HB ALA 54 1HB ALA 54 -10.574 7.022 33.208 357 2HB ALA 54 3HB ALA 54 -11.640 6.246 34.380 358 3HB ALA 54 2HB ALA 54 -11.564 5.645 32.724 359 H GLN 55 H GLN 55 -12.032 9.673 31.796 360 HA GLN 55 HA GLN 55 -11.808 11.184 34.373 361 1HB GLN 55 1HB GLN 55 -10.579 11.470 31.619 362 2HB GLN 55 2HB GLN 55 -10.445 12.730 32.846 363 1HG GLN 55 1HG GLN 55 -9.802 10.202 34.046 364 2HG GLN 55 2HG GLN 55 -8.850 10.390 32.572 365 2HE2 GLN 55 2HE2 GLN 55 -7.024 10.589 34.285 366 1HE2 GLN 55 1HE2 GLN 55 -6.718 12.138 34.911 367 H GLY 56 H GLY 56 -13.152 11.291 31.081 368 1HA GLY 56 2HA GLY 56 -14.810 13.632 31.922 369 2HA GLY 56 1HA GLY 56 -15.532 12.253 31.095 370 H TYR 57 H TYR 57 -13.144 11.920 29.334 371 HA TYR 57 HA TYR 57 -13.211 14.433 27.730 372 1HB TYR 57 1HB TYR 57 -11.579 11.904 27.361 373 2HB TYR 57 2HB TYR 57 -11.252 13.488 26.659 374 HD1 TYR 57 HD1 TYR 57 -12.182 14.923 29.347 375 HD2 TYR 57 HD2 TYR 57 -9.343 11.846 28.406 376 HE1 TYR 57 HE1 TYR 57 -10.861 15.525 31.358 377 HE2 TYR 57 HE2 TYR 57 -8.025 12.441 30.411 378 HH TYR 57 HH TYR 57 -9.127 14.104 32.909 379 H ASP 58 H ASP 58 -15.140 14.356 26.534 380 HA ASP 58 HA ASP 58 -16.034 11.863 25.258 381 1HB ASP 58 1HB ASP 58 -16.948 14.749 25.309 382 2HB ASP 58 2HB ASP 58 -17.770 13.521 24.346 383 H TRP 59 H TRP 59 -15.635 11.309 23.123 384 HA TRP 59 HA TRP 59 -14.134 13.306 21.461 385 1HB TRP 59 1HB TRP 59 -14.008 10.274 21.549 386 2HB TRP 59 2HB TRP 59 -13.028 11.302 20.503 387 HD1 TRP 59 HD1 TRP 59 -13.715 10.738 24.257 388 HE1 TRP 59 HE1 TRP 59 -11.592 11.368 25.570 389 HE3 TRP 59 HE3 TRP 59 -10.777 12.432 20.439 390 HZ2 TRP 59 HZ2 TRP 59 -8.991 12.432 25.076 391 HZ3 TRP 59 HZ3 TRP 59 -8.480 13.245 20.892 392 HH2 TRP 59 HH2 TRP 59 -7.586 13.248 23.206 393 HA PRO 60 HA PRO 60 -17.412 13.003 18.555 394 1HB PRO 60 1HB PRO 60 -16.049 13.778 16.309 395 2HB PRO 60 2HB PRO 60 -16.535 14.910 17.586 396 1HG PRO 60 1HG PRO 60 -13.886 13.636 17.083 397 2HG PRO 60 2HG PRO 60 -14.261 15.291 17.585 398 1HD PRO 60 1HD PRO 60 -13.405 13.363 19.306 399 2HD PRO 60 2HD PRO 60 -14.456 14.708 19.796 400 H PHE 61 H PHE 61 -18.215 11.235 17.481 401 HA PHE 61 HA PHE 61 -16.370 9.052 16.717 402 1HB PHE 61 1HB PHE 61 -18.674 9.021 18.003 403 2HB PHE 61 2HB PHE 61 -19.358 9.057 16.377 404 HD1 PHE 61 HD1 PHE 61 -17.419 7.481 14.830 405 HD2 PHE 61 HD2 PHE 61 -18.978 6.825 18.779 406 HE1 PHE 61 HE1 PHE 61 -16.984 5.050 14.599 407 HE2 PHE 61 HE2 PHE 61 -18.544 4.394 18.548 408 HZ PHE 61 HZ PHE 61 -17.546 3.507 16.457 409 H SER 62 H SER 62 -15.626 8.931 14.632 410 HA SER 62 HA SER 62 -17.427 9.471 12.370 411 1HB SER 62 1HB SER 62 -15.187 11.282 13.242 412 2HB SER 62 2HB SER 62 -15.606 11.171 11.532 413 HG SER 62 HG SER 62 -17.816 11.593 12.239 414 H CYS 63 H CYS 63 -16.773 7.146 12.137 415 HA CYS 63 HA CYS 63 -14.139 6.924 10.727 416 1HB CYS 63 1HB CYS 63 -15.368 4.956 12.685 417 2HB CYS 63 2HB CYS 63 -13.809 4.779 11.881 418 H ARG 64 H ARG 64 -16.635 7.302 9.429 419 HA ARG 64 HA ARG 64 -18.075 6.302 7.837 420 1HB ARG 64 1HB ARG 64 -15.472 4.764 7.690 421 2HB ARG 64 2HB ARG 64 -16.771 4.527 6.521 422 1HG ARG 64 1HG ARG 64 -16.645 6.795 5.779 423 2HG ARG 64 2HG ARG 64 -15.626 7.257 7.143 424 1HD ARG 64 1HD ARG 64 -14.161 5.216 5.987 425 2HD ARG 64 2HD ARG 64 -14.861 6.036 4.579 426 HE ARG 64 HE ARG 64 -13.261 7.410 6.710 427 1HH1 ARG 64 1HH1 ARG 64 -15.197 7.769 3.940 428 2HH1 ARG 64 2HH1 ARG 64 -14.162 8.926 3.175 429 1HH2 ARG 64 1HH2 ARG 64 -11.664 8.668 5.565 430 2HH2 ARG 64 2HH2 ARG 64 -12.164 9.438 4.095 431 H ALA 65 H ALA 65 -16.586 3.182 8.257 432 HA ALA 65 HA ALA 65 -18.277 2.128 10.329 433 1HB ALA 65 1HB ALA 65 -20.030 2.701 8.715 434 2HB ALA 65 2HB ALA 65 -19.886 0.946 8.821 435 3HB ALA 65 3HB ALA 65 -19.188 1.806 7.450 436 H GLY 66 H GLY 66 -17.921 -0.170 10.599 437 1HA GLY 66 2HA GLY 66 -16.155 -1.512 8.637 438 2HA GLY 66 1HA GLY 66 -16.965 -2.292 9.996 439 H ALA 67 H ALA 67 -14.054 -0.823 8.925 440 HA ALA 67 HA ALA 67 -12.718 -1.533 11.449 441 1HB ALA 67 1HB ALA 67 -11.379 -0.087 9.199 442 2HB ALA 67 2HB ALA 67 -12.021 -1.696 8.868 443 3HB ALA 67 3HB ALA 67 -10.813 -1.472 10.132 444 H CYS 68 H CYS 68 -11.174 0.117 12.428 445 HA CYS 68 HA CYS 68 -12.335 2.882 12.294 446 1HB CYS 68 1HB CYS 68 -12.207 0.966 14.411 447 2HB CYS 68 2HB CYS 68 -11.141 2.307 14.833 448 H ALA 69 H ALA 69 -10.233 2.439 10.626 449 HA ALA 69 HA ALA 69 -7.690 2.993 12.035 450 1HB ALA 69 1HB ALA 69 -6.941 2.991 9.542 451 2HB ALA 69 3HB ALA 69 -7.515 1.473 10.233 452 3HB ALA 69 2HB ALA 69 -8.581 2.435 9.207 453 H ASN 70 H ASN 70 -9.730 5.043 12.276 454 HA ASN 70 HA ASN 70 -8.191 7.358 11.443 455 1HB ASN 70 1HB ASN 70 -10.132 6.180 9.648 456 2HB ASN 70 2HB ASN 70 -10.631 7.813 10.090 457 2HD2 ASN 70 2HD2 ASN 70 -8.877 6.222 7.779 458 1HD2 ASN 70 1HD2 ASN 70 -7.754 7.430 7.382 459 H CYS 71 H CYS 71 -8.503 7.962 13.654 460 HA CYS 71 HA CYS 71 -11.224 8.191 14.757 461 1HB CYS 71 1HB CYS 71 -8.671 7.771 15.721 462 2HB CYS 71 2HB CYS 71 -8.971 9.451 16.164 463 H ALA 72 H ALA 72 -10.391 10.673 16.259 464 HA ALA 72 HA ALA 72 -10.436 12.717 14.090 465 1HB ALA 72 1HB ALA 72 -12.667 11.777 15.656 466 2HB ALA 72 3HB ALA 72 -12.359 13.473 16.032 467 3HB ALA 72 2HB ALA 72 -12.660 12.981 14.365 468 H SER 73 H SER 73 -8.182 12.731 15.291 469 HA SER 73 HA SER 73 -8.360 14.795 17.450 470 1HB SER 73 1HB SER 73 -6.687 12.264 17.362 471 2HB SER 73 2HB SER 73 -6.478 13.540 18.562 472 HG SER 73 HG SER 73 -9.042 12.531 18.157 473 H ILE 74 H ILE 74 -5.840 15.506 17.809 474 HA ILE 74 HA ILE 74 -4.467 15.708 15.173 475 HB ILE 74 HB ILE 74 -5.220 18.038 16.965 476 1HG1 ILE 74 1HG1 ILE 74 -7.159 17.012 15.771 477 2HG1 ILE 74 2HG1 ILE 74 -6.807 18.646 15.213 478 1HG2 ILE 74 1HG2 ILE 74 -3.074 18.152 15.568 479 2HG2 ILE 74 2HG2 ILE 74 -4.123 18.110 14.150 480 3HG2 ILE 74 3HG2 ILE 74 -4.249 19.440 15.301 481 1HD1 ILE 74 1HD1 ILE 74 -5.656 16.207 13.841 482 2HD1 ILE 74 2HD1 ILE 74 -7.224 16.878 13.394 483 3HD1 ILE 74 3HD1 ILE 74 -5.767 17.855 13.222 484 H VAL 75 H VAL 75 -3.277 14.100 16.779 485 HA VAL 75 HA VAL 75 -1.889 14.660 19.062 486 HB VAL 75 HB VAL 75 -1.789 12.628 17.560 487 1HG1 VAL 75 1HG1 VAL 75 -0.958 14.372 15.651 488 2HG1 VAL 75 2HG1 VAL 75 0.597 13.743 16.196 489 3HG1 VAL 75 3HG1 VAL 75 -0.636 12.639 15.586 490 1HG2 VAL 75 1HG2 VAL 75 0.085 13.620 19.383 491 2HG2 VAL 75 2HG2 VAL 75 -0.037 11.955 18.814 492 3HG2 VAL 75 3HG2 VAL 75 1.053 13.084 18.010 493 H LYS 76 H LYS 76 -0.805 16.504 19.653 494 HA LYS 76 HA LYS 76 0.535 18.168 17.603 495 1HB LYS 76 1HB LYS 76 -0.976 18.913 19.575 496 2HB LYS 76 2HB LYS 76 0.433 18.606 20.590 497 1HG LYS 76 1HG LYS 76 1.276 20.102 18.294 498 2HG LYS 76 2HG LYS 76 -0.115 20.913 19.012 499 1HD LYS 76 1HD LYS 76 1.237 20.343 21.265 500 2HD LYS 76 2HD LYS 76 2.598 20.434 20.148 501 1HE LYS 76 1HE LYS 76 0.502 22.602 20.126 502 2HE LYS 76 2HE LYS 76 1.809 22.638 21.324 503 1HZ LYS 76 1HZ LYS 76 2.666 21.940 18.657 504 2HZ LYS 76 2HZ LYS 76 2.030 23.509 18.769 505 3HZ LYS 76 3HZ LYS 76 3.336 23.052 19.751 506 H GLU 77 H GLU 77 1.352 15.608 19.692 507 HA GLU 77 HA GLU 77 4.139 15.654 19.002 508 1HB GLU 77 1HB GLU 77 3.297 17.447 21.049 509 2HB GLU 77 2HB GLU 77 4.212 16.159 21.832 510 1HG GLU 77 1HG GLU 77 5.284 17.388 19.311 511 2HG GLU 77 2HG GLU 77 5.473 18.253 20.837 512 H GLY 78 H GLY 78 5.173 13.742 19.749 513 1HA GLY 78 2HA GLY 78 3.637 12.033 21.645 514 2HA GLY 78 1HA GLY 78 5.345 11.833 21.257 515 H GLU 79 H GLU 79 3.079 9.892 21.063 516 HA GLU 79 HA GLU 79 2.405 9.451 18.296 517 1HB GLU 79 1HB GLU 79 4.849 9.184 18.149 518 2HB GLU 79 2HB GLU 79 4.808 7.985 19.441 519 1HG GLU 79 1HG GLU 79 4.307 6.356 17.971 520 2HG GLU 79 2HG GLU 79 2.913 7.266 17.388 521 H ILE 80 H ILE 80 1.078 7.565 18.092 522 HA ILE 80 HA ILE 80 0.495 6.172 20.685 523 HB ILE 80 HB ILE 80 -1.310 6.647 18.295 524 1HG1 ILE 80 1HG1 ILE 80 -1.116 8.192 20.899 525 2HG1 ILE 80 2HG1 ILE 80 -0.580 8.783 19.326 526 1HG2 ILE 80 1HG2 ILE 80 -1.811 4.759 19.938 527 2HG2 ILE 80 2HG2 ILE 80 -2.031 6.008 21.164 528 3HG2 ILE 80 3HG2 ILE 80 -3.085 5.963 19.750 529 1HD1 ILE 80 1HD1 ILE 80 -3.331 7.753 19.310 530 2HD1 ILE 80 2HD1 ILE 80 -3.109 9.138 20.378 531 3HD1 ILE 80 3HD1 ILE 80 -2.696 9.268 18.668 532 H ASP 81 H ASP 81 0.106 3.892 20.578 533 HA ASP 81 HA ASP 81 1.351 2.558 18.226 534 1HB ASP 81 1HB ASP 81 1.632 2.290 20.942 535 2HB ASP 81 2HB ASP 81 0.485 0.999 20.583 536 H MET 82 H MET 82 0.218 0.948 17.052 537 HA MET 82 HA MET 82 -2.534 0.214 17.804 538 1HB MET 82 1HB MET 82 -2.980 2.336 16.810 539 2HB MET 82 2HB MET 82 -1.812 2.061 15.520 540 1HG MET 82 2HG MET 82 -3.976 1.709 14.552 541 2HG MET 82 1HG MET 82 -3.275 0.108 14.782 542 1HE MET 82 1HE MET 82 -5.927 1.195 14.201 543 2HE MET 82 2HE MET 82 -6.779 -0.212 14.832 544 3HE MET 82 3HE MET 82 -7.120 1.399 15.481 545 H ASP 83 H ASP 83 -3.014 -1.794 16.932 546 HA ASP 83 HA ASP 83 -1.130 -3.514 15.824 547 1HB ASP 83 1HB ASP 83 -3.107 -4.811 15.088 548 2HB ASP 83 2HB ASP 83 -3.367 -4.123 16.690 549 H MET 84 H MET 84 -0.431 -4.001 13.715 550 HA MET 84 HA MET 84 -0.265 -1.998 11.750 551 1HB MET 84 1HB MET 84 0.269 -4.842 12.069 552 2HB MET 84 2HB MET 84 -0.219 -4.469 10.416 553 1HG MET 84 1HG MET 84 1.504 -2.393 11.019 554 2HG MET 84 2HG MET 84 2.251 -3.764 11.842 555 1HE MET 84 1HE MET 84 3.045 -5.663 11.056 556 2HE MET 84 2HE MET 84 1.828 -6.394 10.013 557 3HE MET 84 3HE MET 84 3.465 -6.113 9.405 558 H GLN 85 H GLN 85 -1.524 -1.486 9.917 559 HA GLN 85 HA GLN 85 -3.826 -3.093 9.119 560 1HB GLN 85 1HB GLN 85 -4.020 -1.051 11.185 561 2HB GLN 85 2HB GLN 85 -5.075 -0.682 9.821 562 1HG GLN 85 1HG GLN 85 -5.908 -3.072 9.945 563 2HG GLN 85 2HG GLN 85 -5.012 -3.232 11.455 564 2HE2 GLN 85 2HE2 GLN 85 -7.072 -0.584 10.104 565 1HE2 GLN 85 1HE2 GLN 85 -8.066 -0.463 11.474 566 H GLN 86 H GLN 86 -3.745 0.439 9.113 567 HA GLN 86 HA GLN 86 -3.531 0.364 6.136 568 1HB GLN 86 1HB GLN 86 -5.458 1.433 7.444 569 2HB GLN 86 2HB GLN 86 -4.300 2.668 7.942 570 1HG GLN 86 1HG GLN 86 -3.794 3.037 5.484 571 2HG GLN 86 2HG GLN 86 -5.163 1.987 5.119 572 2HE2 GLN 86 2HE2 GLN 86 -7.082 2.761 6.960 573 1HE2 GLN 86 1HE2 GLN 86 -7.461 4.404 6.773 574 H ILE 87 H ILE 87 -2.012 1.741 5.064 575 HA ILE 87 HA ILE 87 0.403 2.368 6.661 576 HB ILE 87 HB ILE 87 -0.205 2.520 3.690 577 1HG1 ILE 87 1HG1 ILE 87 1.567 0.392 4.482 578 2HG1 ILE 87 2HG1 ILE 87 0.065 0.276 5.399 579 1HG2 ILE 87 1HG2 ILE 87 2.075 3.309 5.301 580 2HG2 ILE 87 2HG2 ILE 87 2.523 2.037 4.165 581 3HG2 ILE 87 3HG2 ILE 87 1.805 3.535 3.573 582 1HD1 ILE 87 1HD1 ILE 87 -0.963 0.802 2.966 583 2HD1 ILE 87 2HD1 ILE 87 0.528 0.000 2.471 584 3HD1 ILE 87 3HD1 ILE 87 -0.621 -0.841 3.510 585 H LEU 88 H LEU 88 -0.488 4.255 7.806 586 HA LEU 88 HA LEU 88 -1.627 6.526 6.474 587 1HB LEU 88 1HB LEU 88 -1.033 5.648 9.072 588 2HB LEU 88 2HB LEU 88 -0.102 7.133 8.878 589 HG LEU 88 HG LEU 88 -2.415 7.956 7.785 590 1HD1 LEU 88 1HD1 LEU 88 -3.033 5.505 9.316 591 2HD1 LEU 88 2HD1 LEU 88 -4.047 6.894 9.707 592 3HD1 LEU 88 3HD1 LEU 88 -3.962 6.304 8.047 593 1HD2 LEU 88 1HD2 LEU 88 -1.477 7.876 10.639 594 2HD2 LEU 88 2HD2 LEU 88 -1.543 9.245 9.529 595 3HD2 LEU 88 3HD2 LEU 88 -3.028 8.622 10.251 596 H SER 89 H SER 89 -0.466 8.722 6.482 597 HA SER 89 HA SER 89 2.366 8.374 5.549 598 1HB SER 89 1HB SER 89 -0.008 9.929 4.573 599 2HB SER 89 2HB SER 89 1.606 10.569 4.263 600 HG SER 89 HG SER 89 2.070 8.373 3.457 601 H ASP 90 H ASP 90 3.884 9.819 6.404 602 HA ASP 90 HA ASP 90 3.462 11.066 8.898 603 1HB ASP 90 1HB ASP 90 5.449 11.198 6.677 604 2HB ASP 90 2HB ASP 90 5.538 12.455 7.910 605 H GLU 91 H GLU 91 3.125 12.385 5.625 606 HA GLU 91 HA GLU 91 2.834 15.134 6.223 607 1HB GLU 91 1HB GLU 91 1.426 13.388 4.173 608 2HB GLU 91 2HB GLU 91 1.540 15.146 4.093 609 1HG GLU 91 1HG GLU 91 3.950 15.045 3.908 610 2HG GLU 91 2HG GLU 91 3.947 13.307 4.212 611 H GLU 92 H GLU 92 0.577 12.453 6.597 612 HA GLU 92 HA GLU 92 -1.786 14.067 7.051 613 1HB GLU 92 1HB GLU 92 -1.256 11.458 6.547 614 2HB GLU 92 2HB GLU 92 -1.490 11.378 8.293 615 1HG GLU 92 1HG GLU 92 -3.718 11.861 8.145 616 2HG GLU 92 2HG GLU 92 -3.484 13.000 6.821 617 H VAL 93 H VAL 93 0.659 12.583 9.183 618 HA VAL 93 HA VAL 93 -0.671 13.519 11.619 619 HB VAL 93 HB VAL 93 0.908 11.458 11.103 620 1HG1 VAL 93 1HG1 VAL 93 2.732 13.369 10.552 621 2HG1 VAL 93 2HG1 VAL 93 3.045 13.163 12.275 622 3HG1 VAL 93 3HG1 VAL 93 3.177 11.783 11.185 623 1HG2 VAL 93 1HG2 VAL 93 -0.051 12.620 13.379 624 2HG2 VAL 93 2HG2 VAL 93 0.897 11.134 13.355 625 3HG2 VAL 93 3HG2 VAL 93 1.685 12.678 13.678 626 H GLU 94 H GLU 94 1.190 15.018 9.249 627 HA GLU 94 HA GLU 94 2.375 16.995 11.155 628 1HB GLU 94 1HB GLU 94 3.499 15.651 9.104 629 2HB GLU 94 2HB GLU 94 2.883 17.043 8.214 630 1HG GLU 94 1HG GLU 94 4.271 17.647 10.770 631 2HG GLU 94 2HG GLU 94 5.287 17.033 9.466 632 H GLU 95 H GLU 95 0.410 16.750 8.183 633 HA GLU 95 HA GLU 95 -0.308 19.607 8.284 634 1HB GLU 95 1HB GLU 95 0.087 18.028 6.243 635 2HB GLU 95 2HB GLU 95 -1.553 17.462 6.564 636 1HG GLU 95 1HG GLU 95 -1.924 20.158 6.675 637 2HG GLU 95 2HG GLU 95 -0.627 20.059 5.485 638 H LYS 96 H LYS 96 -1.661 16.495 9.200 639 HA LYS 96 HA LYS 96 -4.133 17.893 10.173 640 1HB LYS 96 1HB LYS 96 -3.769 15.004 9.314 641 2HB LYS 96 2HB LYS 96 -5.294 15.806 9.688 642 1HG LYS 96 1HG LYS 96 -3.914 17.373 7.728 643 2HG LYS 96 2HG LYS 96 -3.936 15.698 7.179 644 1HD LYS 96 1HD LYS 96 -6.246 15.629 7.049 645 2HD LYS 96 2HD LYS 96 -6.458 16.834 8.319 646 1HE LYS 96 1HE LYS 96 -5.595 18.585 6.738 647 2HE LYS 96 2HE LYS 96 -5.556 17.353 5.462 648 1HZ LYS 96 1HZ LYS 96 -7.957 16.887 6.296 649 2HZ LYS 96 2HZ LYS 96 -7.871 18.470 6.904 650 3HZ LYS 96 3HZ LYS 96 -7.682 18.188 5.240 651 H ASP 97 H ASP 97 -1.422 15.861 10.947 652 HA ASP 97 HA ASP 97 -0.752 14.828 12.971 653 1HB ASP 97 2HB ASP 97 -2.490 16.907 14.295 654 2HB ASP 97 1HB ASP 97 -0.894 16.335 14.776 655 H VAL 98 H VAL 98 -3.377 13.961 11.741 656 HA VAL 98 HA VAL 98 -5.203 13.438 13.944 657 HB VAL 98 HB VAL 98 -4.994 12.074 11.246 658 1HG1 VAL 98 1HG1 VAL 98 -7.128 12.438 13.334 659 2HG1 VAL 98 2HG1 VAL 98 -7.584 12.226 11.643 660 3HG1 VAL 98 3HG1 VAL 98 -6.659 10.973 12.471 661 1HG2 VAL 98 1HG2 VAL 98 -5.221 14.828 11.710 662 2HG2 VAL 98 2HG2 VAL 98 -5.629 13.982 10.217 663 3HG2 VAL 98 3HG2 VAL 98 -6.875 14.289 11.426 664 H ARG 99 H ARG 99 -5.679 11.260 14.777 665 HA ARG 99 HA ARG 99 -3.790 9.073 14.275 666 1HB ARG 99 1HB ARG 99 -3.163 11.085 16.157 667 2HB ARG 99 2HB ARG 99 -3.665 9.684 17.103 668 1HG ARG 99 1HG ARG 99 -1.575 9.665 14.901 669 2HG ARG 99 2HG ARG 99 -1.238 9.615 16.632 670 1HD ARG 99 1HD ARG 99 -2.423 7.471 16.830 671 2HD ARG 99 2HD ARG 99 -2.853 7.532 15.110 672 HE ARG 99 HE ARG 99 -0.008 7.883 15.452 673 1HH1 ARG 99 1HH1 ARG 99 -2.322 5.467 16.170 674 2HH1 ARG 99 2HH1 ARG 99 -1.406 4.176 15.467 675 1HH2 ARG 99 1HH2 ARG 99 1.098 6.252 14.266 676 2HH2 ARG 99 2HH2 ARG 99 0.530 4.620 14.389 677 H LEU 100 H LEU 100 -4.258 7.916 16.950 678 HA LEU 100 HA LEU 100 -7.217 7.450 16.791 679 1HB LEU 100 1HB LEU 100 -4.921 5.684 16.475 680 2HB LEU 100 2HB LEU 100 -6.013 5.113 17.738 681 HG LEU 100 HG LEU 100 -7.859 5.727 15.918 682 1HD1 LEU 100 1HD1 LEU 100 -5.401 6.065 14.502 683 2HD1 LEU 100 2HD1 LEU 100 -6.210 4.641 13.848 684 3HD1 LEU 100 3HD1 LEU 100 -7.044 6.195 13.874 685 1HD2 LEU 100 1HD2 LEU 100 -6.950 3.438 16.962 686 2HD2 LEU 100 2HD2 LEU 100 -8.085 3.452 15.611 687 3HD2 LEU 100 3HD2 LEU 100 -6.363 3.215 15.314 688 H THR 101 H THR 101 -8.083 8.229 18.664 689 HA THR 101 HA THR 101 -6.482 8.134 21.176 690 HB THR 101 HB THR 101 -7.480 10.264 20.473 691 HG1 THR 101 HG1 THR 101 -9.053 10.381 22.353 692 1HG2 THR 101 1HG2 THR 101 -9.673 8.533 19.771 693 2HG2 THR 101 2HG2 THR 101 -10.245 9.803 20.852 694 3HG2 THR 101 3HG2 THR 101 -9.425 10.228 19.349 695 H CYS 102 H CYS 102 -8.539 6.123 19.587 696 HA CYS 102 HA CYS 102 -10.025 5.266 22.035 697 1HB CYS 102 1HB CYS 102 -11.413 4.048 20.341 698 2HB CYS 102 2HB CYS 102 -11.348 5.784 20.043 699 H ILE 103 H ILE 103 -10.129 2.674 20.072 700 HA ILE 103 HA ILE 103 -8.568 0.940 21.621 701 HB ILE 103 HB ILE 103 -9.311 0.927 18.681 702 1HG1 ILE 103 1HG1 ILE 103 -10.638 -0.986 20.400 703 2HG1 ILE 103 2HG1 ILE 103 -10.812 0.643 21.053 704 1HG2 ILE 103 1HG2 ILE 103 -8.228 -1.306 20.427 705 2HG2 ILE 103 2HG2 ILE 103 -8.917 -1.537 18.820 706 3HG2 ILE 103 3HG2 ILE 103 -7.435 -0.602 19.017 707 1HD1 ILE 103 1HD1 ILE 103 -11.206 0.980 18.315 708 2HD1 ILE 103 2HD1 ILE 103 -12.028 -0.538 18.673 709 3HD1 ILE 103 3HD1 ILE 103 -12.470 0.931 19.544 710 H GLY 104 H GLY 104 -6.518 1.987 22.085 711 1HA GLY 104 2HA GLY 104 -4.703 2.984 20.147 712 2HA GLY 104 1HA GLY 104 -4.369 1.265 20.351 713 H SER 105 H SER 105 -2.309 1.750 21.338 714 HA SER 105 HA SER 105 -2.559 2.751 24.156 715 1HB SER 105 2HB SER 105 -0.749 1.178 24.643 716 2HB SER 105 1HB SER 105 -2.040 0.328 23.792 717 HG SER 105 HG SER 105 0.461 0.449 23.102 718 HA PRO 106 HA PRO 106 0.324 5.896 23.095 719 1HB PRO 106 1HB PRO 106 1.425 6.361 25.556 720 2HB PRO 106 2HB PRO 106 -0.211 6.885 25.113 721 1HG PRO 106 2HG PRO 106 0.666 4.540 26.726 722 2HG PRO 106 1HG PRO 106 -0.733 5.599 26.945 723 1HD PRO 106 1HD PRO 106 -0.858 3.096 25.830 724 2HD PRO 106 2HD PRO 106 -2.025 4.393 25.495 725 H ALA 107 H ALA 107 2.508 6.018 22.479 726 HA ALA 107 HA ALA 107 4.249 3.722 23.323 727 1HB ALA 107 1HB ALA 107 3.263 4.274 20.852 728 2HB ALA 107 3HB ALA 107 4.766 5.194 20.795 729 3HB ALA 107 2HB ALA 107 4.805 3.459 21.111 730 H ALA 108 H ALA 108 3.884 7.140 23.241 731 HA ALA 108 HA ALA 108 6.803 7.513 23.828 732 1HB ALA 108 1HB ALA 108 6.309 8.765 21.910 733 2HB ALA 108 3HB ALA 108 6.060 9.958 23.184 734 3HB ALA 108 2HB ALA 108 4.676 9.140 22.460 735 H ASP 109 H ASP 109 7.320 8.961 25.593 736 HA ASP 109 HA ASP 109 5.712 8.723 27.931 737 1HB ASP 109 1HB ASP 109 8.159 10.063 27.012 738 2HB ASP 109 2HB ASP 109 7.336 10.936 28.304 739 H GLU 110 H GLU 110 6.579 11.947 26.755 740 HA GLU 110 HA GLU 110 3.916 12.951 27.522 741 1HB GLU 110 1HB GLU 110 6.583 13.893 27.368 742 2HB GLU 110 2HB GLU 110 5.654 14.858 26.221 743 1HG GLU 110 1HG GLU 110 4.057 15.472 27.939 744 2HG GLU 110 2HG GLU 110 4.806 14.365 29.089 745 H VAL 111 H VAL 111 2.340 12.515 25.990 746 HA VAL 111 HA VAL 111 2.993 13.108 23.121 747 HB VAL 111 HB VAL 111 0.907 11.280 24.363 748 1HG1 VAL 111 1HG1 VAL 111 0.376 12.283 22.098 749 2HG1 VAL 111 2HG1 VAL 111 1.817 11.476 21.479 750 3HG1 VAL 111 3HG1 VAL 111 0.477 10.523 22.115 751 1HG2 VAL 111 1HG2 VAL 111 3.738 10.938 23.694 752 2HG2 VAL 111 2HG2 VAL 111 2.678 9.900 24.648 753 3HG2 VAL 111 3HG2 VAL 111 2.702 9.758 22.890 754 H LYS 112 H LYS 112 2.046 14.996 22.446 755 HA LYS 112 HA LYS 112 -0.307 16.051 23.936 756 1HB LYS 112 2HB LYS 112 1.461 17.278 21.796 757 2HB LYS 112 1HB LYS 112 0.303 18.140 22.812 758 1HG LYS 112 1HG LYS 112 1.757 16.911 24.731 759 2HG LYS 112 2HG LYS 112 2.997 17.073 23.488 760 1HD LYS 112 1HD LYS 112 2.316 19.517 23.298 761 2HD LYS 112 2HD LYS 112 1.349 19.274 24.753 762 1HE LYS 112 1HE LYS 112 3.192 19.363 26.083 763 2HE LYS 112 2HE LYS 112 4.075 18.230 25.041 764 1HZ LYS 112 1HZ LYS 112 3.512 20.895 23.977 765 2HZ LYS 112 2HZ LYS 112 4.711 20.787 25.175 766 3HZ LYS 112 3HZ LYS 112 4.866 19.900 23.735 767 H ILE 113 H ILE 113 -2.279 16.482 22.886 768 HA ILE 113 HA ILE 113 -2.575 16.079 19.993 769 HB ILE 113 HB ILE 113 -2.524 13.786 20.796 770 1HG1 ILE 113 1HG1 ILE 113 -5.468 14.293 20.558 771 2HG1 ILE 113 2HG1 ILE 113 -4.423 14.710 19.200 772 1HG2 ILE 113 1HG2 ILE 113 -4.190 14.962 22.956 773 2HG2 ILE 113 2HG2 ILE 113 -4.616 13.328 22.450 774 3HG2 ILE 113 3HG2 ILE 113 -2.990 13.673 23.036 775 1HD1 ILE 113 1HD1 ILE 113 -3.742 12.099 20.279 776 2HD1 ILE 113 2HD1 ILE 113 -5.440 12.167 19.807 777 3HD1 ILE 113 3HD1 ILE 113 -4.183 12.541 18.629 778 H VAL 114 H VAL 114 -4.345 17.223 19.263 779 HA VAL 114 HA VAL 114 -5.986 18.639 21.299 780 HB VAL 114 HB VAL 114 -6.127 18.953 18.299 781 1HG1 VAL 114 1HG1 VAL 114 -7.717 20.191 19.741 782 2HG1 VAL 114 2HG1 VAL 114 -6.359 20.900 20.614 783 3HG1 VAL 114 3HG1 VAL 114 -6.612 21.286 18.911 784 1HG2 VAL 114 1HG2 VAL 114 -4.033 20.143 20.146 785 2HG2 VAL 114 2HG2 VAL 114 -3.731 18.944 18.889 786 3HG2 VAL 114 3HG2 VAL 114 -4.260 20.567 18.450 787 H TYR 115 H TYR 115 -8.001 17.847 21.806 788 HA TYR 115 HA TYR 115 -9.118 15.676 20.147 789 1HB TYR 115 1HB TYR 115 -9.997 14.996 22.130 790 2HB TYR 115 2HB TYR 115 -8.917 16.186 22.842 791 HD1 TYR 115 HD1 TYR 115 -9.795 18.530 23.281 792 HD2 TYR 115 HD2 TYR 115 -12.350 15.234 22.259 793 HE1 TYR 115 HE1 TYR 115 -11.750 19.778 24.155 794 HE2 TYR 115 HE2 TYR 115 -14.308 16.482 23.133 795 HH TYR 115 HH TYR 115 -14.161 18.961 25.141 796 H ASN 116 H ASN 116 -11.709 15.824 20.146 797 HA ASN 116 HA ASN 116 -13.637 16.859 19.280 798 1HB ASN 116 1HB ASN 116 -12.049 19.023 20.506 799 2HB ASN 116 2HB ASN 116 -13.173 19.562 19.264 800 2HD2 ASN 116 2HD2 ASN 116 -13.916 20.446 21.689 801 1HD2 ASN 116 1HD2 ASN 116 -15.163 19.515 22.366 802 H ALA 117 H ALA 117 -11.336 16.080 17.547 803 HA ALA 117 HA ALA 117 -10.629 17.887 15.541 804 1HB ALA 117 1HB ALA 117 -9.829 15.603 15.626 805 2HB ALA 117 2HB ALA 117 -11.461 14.978 15.390 806 3HB ALA 117 3HB ALA 117 -10.645 15.827 14.078 807 H LYS 118 H LYS 118 -13.802 16.604 16.227 808 HA LYS 118 HA LYS 118 -15.188 16.738 13.836 809 1HB LYS 118 1HB LYS 118 -17.110 17.299 15.216 810 2HB LYS 118 2HB LYS 118 -16.050 16.246 16.152 811 1HG LYS 118 2HG LYS 118 -15.992 17.827 17.754 812 2HG LYS 118 1HG LYS 118 -15.136 18.875 16.624 813 1HD LYS 118 1HD LYS 118 -17.081 20.089 17.332 814 2HD LYS 118 2HD LYS 118 -17.415 19.529 15.693 815 1HE LYS 118 2HE LYS 118 -19.279 18.510 16.491 816 2HE LYS 118 1HE LYS 118 -18.236 17.445 17.452 817 H HIS 119 H HIS 119 -13.699 19.406 15.562 818 HA HIS 119 HA HIS 119 -15.126 21.595 14.425 819 1HB HIS 119 1HB HIS 119 -13.059 22.831 15.050 820 2HB HIS 119 2HB HIS 119 -13.562 21.723 16.326 821 HD1 HIS 119 HD1 HIS 119 -11.292 21.551 13.248 822 HD2 HIS 119 HD2 HIS 119 -11.435 20.196 17.193 823 HE1 HIS 119 HE1 HIS 119 -9.152 20.255 13.639 824 H LEU 120 H LEU 120 -12.632 19.487 13.124 825 HA LEU 120 HA LEU 120 -11.504 20.945 11.045 826 1HB LEU 120 1HB LEU 120 -11.545 18.363 11.843 827 2HB LEU 120 2HB LEU 120 -12.546 18.230 10.397 828 HG LEU 120 HG LEU 120 -10.590 19.733 9.365 829 1HD1 LEU 120 1HD1 LEU 120 -9.432 19.799 11.614 830 2HD1 LEU 120 2HD1 LEU 120 -9.145 18.067 11.443 831 3HD1 LEU 120 3HD1 LEU 120 -8.429 19.197 10.294 832 1HD2 LEU 120 1HD2 LEU 120 -11.281 16.962 9.397 833 2HD2 LEU 120 2HD2 LEU 120 -10.445 17.859 8.131 834 3HD2 LEU 120 3HD2 LEU 120 -9.522 17.081 9.416 835 H ASP 121 H ASP 121 -12.137 20.687 8.619 836 HA ASP 121 HA ASP 121 -14.768 21.869 8.234 837 1HB ASP 121 2HB ASP 121 -14.014 22.072 5.961 838 2HB ASP 121 1HB ASP 121 -12.591 22.308 6.974 839 H TYR 122 H TYR 122 -13.593 18.641 8.360 840 HA TYR 122 HA TYR 122 -15.344 17.352 6.487 841 1HB TYR 122 1HB TYR 122 -13.402 16.246 7.389 842 2HB TYR 122 2HB TYR 122 -13.960 16.493 9.043 843 HD1 TYR 122 HD1 TYR 122 -15.844 15.189 9.951 844 HD2 TYR 122 HD2 TYR 122 -14.357 14.514 5.978 845 HE1 TYR 122 HE1 TYR 122 -17.073 13.036 9.857 846 HE2 TYR 122 HE2 TYR 122 -15.585 12.362 5.883 847 HH TYR 122 HH TYR 122 -18.033 11.558 7.825 848 H LEU 123 H LEU 123 -15.880 18.683 9.666 849 HA LEU 123 HA LEU 123 -18.627 17.468 9.683 850 1HB LEU 123 1HB LEU 123 -16.498 17.341 11.542 851 2HB LEU 123 2HB LEU 123 -17.700 18.421 12.252 852 HG LEU 123 HG LEU 123 -19.047 16.184 11.050 853 1HD1 LEU 123 1HD1 LEU 123 -16.527 15.580 12.475 854 2HD1 LEU 123 2HD1 LEU 123 -17.935 14.682 13.041 855 3HD1 LEU 123 3HD1 LEU 123 -17.450 14.585 11.349 856 1HD2 LEU 123 1HD2 LEU 123 -19.841 17.661 12.905 857 2HD2 LEU 123 2HD2 LEU 123 -19.948 15.947 13.305 858 3HD2 LEU 123 3HD2 LEU 123 -18.637 16.925 13.963 859 H GLN 124 H GLN 124 -16.705 20.363 9.834 860 HA GLN 124 HA GLN 124 -18.557 22.160 11.055 861 1HB GLN 124 1HB GLN 124 -16.134 22.540 10.559 862 2HB GLN 124 2HB GLN 124 -16.536 22.650 8.844 863 1HG GLN 124 1HG GLN 124 -16.628 24.892 9.397 864 2HG GLN 124 2HG GLN 124 -18.296 24.440 9.748 865 2HE2 GLN 124 2HE2 GLN 124 -16.103 26.366 11.046 866 1HE2 GLN 124 1HE2 GLN 124 -16.308 26.063 12.704 867 H ASN 125 H ASN 125 -18.676 20.538 8.024 868 HA ASN 125 HA ASN 125 -19.947 22.305 6.273 869 1HB ASN 125 1HB ASN 125 -19.296 19.997 5.753 870 2HB ASN 125 2HB ASN 125 -20.532 19.383 6.852 871 2HD2 ASN 125 2HD2 ASN 125 -21.797 18.331 5.189 872 1HD2 ASN 125 1HD2 ASN 125 -22.632 19.208 3.998 873 H ARG 126 H ARG 126 -21.198 20.937 9.240 874 HA ARG 126 HA ARG 126 -23.903 22.072 8.612 875 1HB ARG 126 1HB ARG 126 -22.871 19.642 9.940 876 2HB ARG 126 2HB ARG 126 -24.214 20.421 10.779 877 1HG ARG 126 1HG ARG 126 -24.803 20.424 7.981 878 2HG ARG 126 2HG ARG 126 -24.308 18.791 8.430 879 1HD ARG 126 1HD ARG 126 -26.011 18.639 10.114 880 2HD ARG 126 2HD ARG 126 -26.351 20.377 10.018 881 HE ARG 126 HE ARG 126 -26.912 19.780 7.510 882 1HH1 ARG 126 1HH1 ARG 126 -26.641 16.810 8.222 883 2HH1 ARG 126 2HH1 ARG 126 -28.303 16.377 8.445 884 1HH2 ARG 126 1HH2 ARG 126 -29.403 19.657 8.686 885 2HH2 ARG 126 2HH2 ARG 126 -29.867 17.988 8.704 886 H VAL 127 H VAL 127 -22.036 23.933 9.441 887 HA VAL 127 HA VAL 127 -21.517 24.390 12.134 888 HB VAL 127 HB VAL 127 -21.561 26.762 11.496 889 1HG1 VAL 127 1HG1 VAL 127 -20.041 24.826 10.320 890 2HG1 VAL 127 2HG1 VAL 127 -20.775 25.573 8.901 891 3HG1 VAL 127 3HG1 VAL 127 -19.829 26.551 10.023 892 1HG2 VAL 127 1HG2 VAL 127 -23.372 25.695 9.344 893 2HG2 VAL 127 2HG2 VAL 127 -23.587 27.108 10.377 894 3HG2 VAL 127 3HG2 VAL 127 -22.428 27.154 9.048 895 H ILE 128 H ILE 128 -22.754 26.071 13.550 896 HA ILE 128 HA ILE 128 -25.524 25.104 13.879 897 HB ILE 128 HB ILE 128 -25.332 26.549 15.949 898 1HG1 ILE 128 1HG1 ILE 128 -22.412 26.825 15.344 899 2HG1 ILE 128 2HG1 ILE 128 -23.530 27.990 14.635 900 1HG2 ILE 128 1HG2 ILE 128 -23.578 24.268 15.223 901 2HG2 ILE 128 2HG2 ILE 128 -23.131 25.147 16.686 902 3HG2 ILE 128 3HG2 ILE 128 -24.734 24.424 16.545 903 1HD1 ILE 128 1HD1 ILE 128 -23.799 27.350 17.548 904 2HD1 ILE 128 2HD1 ILE 128 -22.483 28.408 17.039 905 3HD1 ILE 128 3HD1 ILE 128 -24.155 28.852 16.696 No H/Q in entry = 905 Start of MODEL 18 1 H2 PRO 1 H2 PRO 1 3.616 7.310 31.479 2 H3 PRO 1 H3 PRO 1 4.684 6.474 30.453 3 HA PRO 1 HA PRO 1 3.454 7.132 28.735 4 1HB PRO 1 1HB PRO 1 1.027 5.906 29.022 5 2HB PRO 1 2HB PRO 1 2.509 5.025 28.610 6 1HG PRO 1 2HG PRO 1 1.122 5.293 31.232 7 2HG PRO 1 1HG PRO 1 1.926 3.887 30.521 8 1HD PRO 1 1HD PRO 1 3.050 5.467 32.447 9 2HD PRO 1 2HD PRO 1 3.991 4.540 31.262 10 H THR 2 H THR 2 3.268 9.413 29.295 11 HA THR 2 HA THR 2 0.662 10.185 30.563 12 HB THR 2 HB THR 2 3.384 11.497 30.368 13 HG1 THR 2 HG1 THR 2 2.680 11.523 32.770 14 1HG2 THR 2 1HG2 THR 2 0.792 12.745 30.524 15 2HG2 THR 2 2HG2 THR 2 1.669 13.010 32.031 16 3HG2 THR 2 3HG2 THR 2 2.383 13.505 30.497 17 H VAL 3 H VAL 3 -0.744 11.441 29.360 18 HA VAL 3 HA VAL 3 0.223 12.425 26.693 19 HB VAL 3 HB VAL 3 -2.474 11.277 27.491 20 1HG1 VAL 3 1HG1 VAL 3 -1.404 12.597 25.034 21 2HG1 VAL 3 2HG1 VAL 3 -2.490 11.225 24.817 22 3HG1 VAL 3 3HG1 VAL 3 -3.030 12.643 25.714 23 1HG2 VAL 3 1HG2 VAL 3 -0.111 10.145 25.978 24 2HG2 VAL 3 2HG2 VAL 3 -0.893 9.484 27.413 25 3HG2 VAL 3 3HG2 VAL 3 -1.730 9.455 25.860 26 H GLU 4 H GLU 4 -1.190 14.267 25.875 27 HA GLU 4 HA GLU 4 -2.387 15.865 28.107 28 1HB GLU 4 1HB GLU 4 0.116 16.270 27.046 29 2HB GLU 4 2HB GLU 4 -0.869 17.345 26.053 30 1HG GLU 4 1HG GLU 4 -1.802 18.374 28.096 31 2HG GLU 4 2HG GLU 4 -0.817 17.298 29.087 32 H TYR 5 H TYR 5 -4.510 16.033 27.445 33 HA TYR 5 HA TYR 5 -5.107 16.354 24.545 34 1HB TYR 5 1HB TYR 5 -7.394 15.814 25.271 35 2HB TYR 5 2HB TYR 5 -6.259 14.635 25.926 36 HD1 TYR 5 HD1 TYR 5 -8.401 17.538 26.713 37 HD2 TYR 5 HD2 TYR 5 -5.755 14.550 28.302 38 HE1 TYR 5 HE1 TYR 5 -9.156 18.091 29.010 39 HE2 TYR 5 HE2 TYR 5 -6.509 15.104 30.599 40 HH TYR 5 HH TYR 5 -7.780 16.426 31.846 41 H LEU 6 H LEU 6 -5.705 18.325 23.735 42 HA LEU 6 HA LEU 6 -6.410 20.490 25.688 43 1HB LEU 6 1HB LEU 6 -4.166 20.732 24.733 44 2HB LEU 6 2HB LEU 6 -4.809 20.548 23.107 45 HG LEU 6 HG LEU 6 -5.404 22.732 22.984 46 1HD1 LEU 6 1HD1 LEU 6 -6.486 22.320 25.764 47 2HD1 LEU 6 2HD1 LEU 6 -6.345 23.945 25.098 48 3HD1 LEU 6 3HD1 LEU 6 -7.353 22.748 24.289 49 1HD2 LEU 6 1HD2 LEU 6 -3.129 22.531 24.387 50 2HD2 LEU 6 2HD2 LEU 6 -3.852 24.089 23.983 51 3HD2 LEU 6 3HD2 LEU 6 -4.107 23.384 25.580 52 H ASN 7 H ASN 7 -8.509 21.101 25.399 53 HA ASN 7 HA ASN 7 -10.328 20.288 23.473 54 1HB ASN 7 1HB ASN 7 -10.637 21.650 25.607 55 2HB ASN 7 2HB ASN 7 -10.217 23.073 24.653 56 2HD2 ASN 7 2HD2 ASN 7 -12.417 23.945 24.883 57 1HD2 ASN 7 1HD2 ASN 7 -13.718 23.269 24.027 58 H TYR 8 H TYR 8 -9.989 20.374 21.273 59 HA TYR 8 HA TYR 8 -8.372 22.233 19.867 60 1HB TYR 8 1HB TYR 8 -9.225 20.061 19.020 61 2HB TYR 8 2HB TYR 8 -10.857 20.728 18.979 62 HD1 TYR 8 HD1 TYR 8 -11.087 23.026 17.660 63 HD2 TYR 8 HD2 TYR 8 -7.926 20.174 17.086 64 HE1 TYR 8 HE1 TYR 8 -10.640 23.973 15.412 65 HE2 TYR 8 HE2 TYR 8 -7.479 21.123 14.838 66 HH TYR 8 HH TYR 8 -8.086 22.615 13.320 67 H GLU 9 H GLU 9 -11.729 22.429 20.941 68 HA GLU 9 HA GLU 9 -12.582 24.645 19.353 69 1HB GLU 9 1HB GLU 9 -13.687 22.968 21.175 70 2HB GLU 9 2HB GLU 9 -13.495 24.409 22.175 71 1HG GLU 9 1HG GLU 9 -14.772 25.742 20.617 72 2HG GLU 9 2HG GLU 9 -14.804 24.428 19.441 73 H THR 10 H THR 10 -10.979 24.500 22.541 74 HA THR 10 HA THR 10 -10.969 27.311 23.074 75 HB THR 10 HB THR 10 -8.927 25.193 23.830 76 HG1 THR 10 HG1 THR 10 -10.544 25.418 25.769 77 1HG2 THR 10 1HG2 THR 10 -8.345 27.569 24.346 78 2HG2 THR 10 2HG2 THR 10 -9.830 27.692 25.288 79 3HG2 THR 10 3HG2 THR 10 -8.555 26.581 25.792 80 H LEU 11 H LEU 11 -9.017 25.285 20.996 81 HA LEU 11 HA LEU 11 -6.765 27.043 20.649 82 1HB LEU 11 1HB LEU 11 -7.251 24.525 20.030 83 2HB LEU 11 2HB LEU 11 -7.848 25.212 18.519 84 HG LEU 11 HG LEU 11 -5.074 25.517 19.702 85 1HD1 LEU 11 1HD1 LEU 11 -5.608 23.418 18.440 86 2HD1 LEU 11 2HD1 LEU 11 -6.018 24.409 17.041 87 3HD1 LEU 11 3HD1 LEU 11 -4.367 24.398 17.659 88 1HD2 LEU 11 1HD2 LEU 11 -6.518 27.024 17.536 89 2HD2 LEU 11 2HD2 LEU 11 -5.446 27.642 18.794 90 3HD2 LEU 11 3HD2 LEU 11 -4.777 26.770 17.414 91 H ASP 12 H ASP 12 -9.750 26.558 18.731 92 HA ASP 12 HA ASP 12 -9.139 28.769 16.919 93 1HB ASP 12 1HB ASP 12 -10.569 26.540 16.689 94 2HB ASP 12 2HB ASP 12 -11.865 27.573 17.294 95 H ASP 13 H ASP 13 -11.567 28.214 19.498 96 HA ASP 13 HA ASP 13 -12.857 30.707 19.476 97 1HB ASP 13 1HB ASP 13 -13.316 28.603 20.841 98 2HB ASP 13 2HB ASP 13 -12.046 29.139 21.941 99 H GLN 14 H GLN 14 -9.855 29.791 21.188 100 HA GLN 14 HA GLN 14 -9.447 32.474 22.273 101 1HB GLN 14 1HB GLN 14 -8.709 30.317 23.317 102 2HB GLN 14 2HB GLN 14 -7.565 30.108 21.992 103 1HG GLN 14 1HG GLN 14 -6.205 31.148 23.564 104 2HG GLN 14 2HG GLN 14 -6.813 32.554 22.689 105 2HE2 GLN 14 2HE2 GLN 14 -6.410 31.335 25.795 106 1HE2 GLN 14 1HE2 GLN 14 -7.590 32.257 26.596 107 H GLY 15 H GLY 15 -8.427 30.686 19.416 108 1HA GLY 15 2HA GLY 15 -7.388 33.161 18.228 109 2HA GLY 15 1HA GLY 15 -7.528 31.602 17.416 110 H TRP 16 H TRP 16 -6.074 29.944 19.072 111 HA TRP 16 HA TRP 16 -3.400 31.224 19.408 112 1HB TRP 16 1HB TRP 16 -4.343 30.017 21.305 113 2HB TRP 16 2HB TRP 16 -4.612 28.591 20.305 114 HD1 TRP 16 HD1 TRP 16 -1.742 30.733 21.712 115 HE1 TRP 16 HE1 TRP 16 0.365 29.257 21.881 116 HE3 TRP 16 HE3 TRP 16 -3.475 26.458 19.517 117 HZ2 TRP 16 HZ2 TRP 16 1.206 26.616 21.180 118 HZ3 TRP 16 HZ3 TRP 16 -2.002 24.480 19.283 119 HH2 TRP 16 HH2 TRP 16 0.334 24.553 20.110 120 H ASP 17 H ASP 17 -1.576 30.414 18.302 121 HA ASP 17 HA ASP 17 -2.149 28.877 15.839 122 1HB ASP 17 1HB ASP 17 -0.658 31.037 16.303 123 2HB ASP 17 2HB ASP 17 0.568 29.824 16.671 124 H MET 18 H MET 18 -0.593 27.070 15.271 125 HA MET 18 HA MET 18 -0.584 24.979 17.168 126 1HB MET 18 1HB MET 18 0.707 25.643 14.579 127 2HB MET 18 2HB MET 18 1.489 24.363 15.508 128 1HG MET 18 1HG MET 18 -0.088 22.940 14.760 129 2HG MET 18 2HG MET 18 -1.284 23.856 15.676 130 1HE MET 18 1HE MET 18 0.565 23.070 12.763 131 2HE MET 18 2HE MET 18 -0.914 22.609 11.923 132 3HE MET 18 3HE MET 18 0.007 24.023 11.390 133 H ASP 19 H ASP 19 1.538 27.706 16.877 134 HA ASP 19 HA ASP 19 3.092 26.736 19.217 135 1HB ASP 19 1HB ASP 19 3.968 26.662 16.479 136 2HB ASP 19 2HB ASP 19 4.955 27.826 17.363 137 H ASP 20 H ASP 20 1.158 28.892 18.918 138 HA ASP 20 HA ASP 20 2.622 31.410 18.650 139 1HB ASP 20 1HB ASP 20 0.297 31.266 18.009 140 2HB ASP 20 2HB ASP 20 -0.151 30.622 19.589 141 H ASP 21 H ASP 21 0.472 31.139 21.370 142 HA ASP 21 HA ASP 21 2.567 32.055 23.183 143 1HB ASP 21 1HB ASP 21 0.234 32.890 23.179 144 2HB ASP 21 2HB ASP 21 -0.331 31.278 23.614 145 H ASP 22 H ASP 22 0.378 29.938 24.704 146 HA ASP 22 HA ASP 22 2.110 27.562 24.533 147 1HB ASP 22 1HB ASP 22 1.890 29.405 26.914 148 2HB ASP 22 2HB ASP 22 2.271 27.698 27.138 149 H LEU 23 H LEU 23 -0.524 27.966 23.765 150 HA LEU 23 HA LEU 23 -2.733 27.597 25.287 151 1HB LEU 23 1HB LEU 23 -2.026 27.075 22.725 152 2HB LEU 23 2HB LEU 23 -2.310 25.435 23.299 153 HG LEU 23 HG LEU 23 -4.546 26.158 24.140 154 1HD1 LEU 23 1HD1 LEU 23 -3.694 28.758 22.841 155 2HD1 LEU 23 2HD1 LEU 23 -5.376 28.378 23.212 156 3HD1 LEU 23 3HD1 LEU 23 -4.193 28.503 24.514 157 1HD2 LEU 23 1HD2 LEU 23 -4.000 25.299 21.730 158 2HD2 LEU 23 2HD2 LEU 23 -5.589 25.999 22.041 159 3HD2 LEU 23 3HD2 LEU 23 -4.342 26.959 21.244 160 H PHE 24 H PHE 24 -0.938 24.637 24.365 161 HA PHE 24 HA PHE 24 -2.114 22.852 26.167 162 1HB PHE 24 1HB PHE 24 0.440 23.120 24.683 163 2HB PHE 24 2HB PHE 24 0.455 21.958 26.008 164 HD1 PHE 24 HD1 PHE 24 -1.278 20.127 26.073 165 HD2 PHE 24 HD2 PHE 24 -0.735 22.671 22.655 166 HE1 PHE 24 HE1 PHE 24 -2.518 18.504 24.668 167 HE2 PHE 24 HE2 PHE 24 -1.976 21.046 21.251 168 HZ PHE 24 HZ PHE 24 -2.867 18.963 22.256 169 H GLU 25 H GLU 25 0.245 25.348 26.797 170 HA GLU 25 HA GLU 25 0.786 24.293 29.532 171 1HB GLU 25 1HB GLU 25 2.256 25.616 27.542 172 2HB GLU 25 2HB GLU 25 2.021 26.824 28.805 173 1HG GLU 25 1HG GLU 25 4.060 25.550 29.262 174 2HG GLU 25 2HG GLU 25 2.847 25.177 30.486 175 H LYS 26 H LYS 26 -0.289 27.350 27.990 176 HA LYS 26 HA LYS 26 -0.942 28.755 30.373 177 1HB LYS 26 1HB LYS 26 -0.728 29.604 28.003 178 2HB LYS 26 2HB LYS 26 -2.308 28.894 27.669 179 1HG LYS 26 1HG LYS 26 -3.035 30.979 28.290 180 2HG LYS 26 2HG LYS 26 -2.910 30.283 29.906 181 1HD LYS 26 1HD LYS 26 -0.317 31.145 29.342 182 2HD LYS 26 2HD LYS 26 -1.342 32.422 28.686 183 1HE LYS 26 1HE LYS 26 -2.373 31.576 31.254 184 2HE LYS 26 2HE LYS 26 -0.664 32.029 31.402 185 1HZ LYS 26 1HZ LYS 26 -2.618 33.638 29.852 186 2HZ LYS 26 2HZ LYS 26 -2.332 33.918 31.502 187 3HZ LYS 26 3HZ LYS 26 -1.071 34.099 30.379 188 H ALA 27 H ALA 27 -2.719 26.307 28.573 189 HA ALA 27 HA ALA 27 -5.339 26.728 29.578 190 1HB ALA 27 1HB ALA 27 -4.586 25.175 27.755 191 2HB ALA 27 2HB ALA 27 -3.918 24.109 28.992 192 3HB ALA 27 3HB ALA 27 -5.657 24.397 28.920 193 H ALA 28 H ALA 28 -2.482 25.453 31.134 194 HA ALA 28 HA ALA 28 -3.979 24.231 33.362 195 1HB ALA 28 1HB ALA 28 -1.579 23.774 32.156 196 2HB ALA 28 3HB ALA 28 -1.061 24.744 33.536 197 3HB ALA 28 2HB ALA 28 -1.955 23.245 33.797 198 H ASP 29 H ASP 29 -3.160 27.366 32.520 199 HA ASP 29 HA ASP 29 -3.237 28.225 35.390 200 1HB ASP 29 1HB ASP 29 -1.077 28.367 33.574 201 2HB ASP 29 2HB ASP 29 -1.712 30.008 33.689 202 H ALA 30 H ALA 30 -4.919 28.211 32.621 203 HA ALA 30 HA ALA 30 -5.686 31.088 32.626 204 1HB ALA 30 1HB ALA 30 -5.883 28.732 30.807 205 2HB ALA 30 3HB ALA 30 -7.145 29.957 30.668 206 3HB ALA 30 2HB ALA 30 -5.454 30.401 30.435 207 H GLY 31 H GLY 31 -6.836 27.944 33.630 208 1HA GLY 31 2HA GLY 31 -9.246 29.245 34.776 209 2HA GLY 31 1HA GLY 31 -8.607 27.671 35.251 210 H LEU 32 H LEU 32 -8.297 26.676 32.534 211 HA LEU 32 HA LEU 32 -10.949 26.790 31.268 212 1HB LEU 32 1HB LEU 32 -8.261 25.564 30.767 213 2HB LEU 32 2HB LEU 32 -9.653 24.909 29.903 214 HG LEU 32 HG LEU 32 -9.532 27.854 29.940 215 1HD1 LEU 32 1HD1 LEU 32 -7.120 27.323 29.779 216 2HD1 LEU 32 2HD1 LEU 32 -7.454 26.255 28.416 217 3HD1 LEU 32 3HD1 LEU 32 -7.733 27.990 28.266 218 1HD2 LEU 32 1HD2 LEU 32 -10.301 25.616 28.166 219 2HD2 LEU 32 2HD2 LEU 32 -11.070 27.187 28.393 220 3HD2 LEU 32 3HD2 LEU 32 -9.664 27.037 27.339 221 H ASP 33 H ASP 33 -12.202 24.776 30.885 222 HA ASP 33 HA ASP 33 -12.628 23.253 33.294 223 1HB ASP 33 1HB ASP 33 -13.744 23.608 30.632 224 2HB ASP 33 2HB ASP 33 -13.783 21.912 31.113 225 H GLY 34 H GLY 34 -11.837 21.236 33.865 226 1HA GLY 34 2HA GLY 34 -10.494 19.314 33.795 227 2HA GLY 34 1HA GLY 34 -9.450 20.227 32.707 228 H GLU 35 H GLU 35 -12.832 19.524 32.022 229 HA GLU 35 HA GLU 35 -12.474 17.151 30.466 230 1HB GLU 35 1HB GLU 35 -14.529 18.852 31.303 231 2HB GLU 35 2HB GLU 35 -14.576 18.959 29.544 232 1HG GLU 35 1HG GLU 35 -14.656 16.500 29.391 233 2HG GLU 35 2HG GLU 35 -14.589 16.382 31.149 234 H ASP 36 H ASP 36 -11.563 20.403 29.852 235 HA ASP 36 HA ASP 36 -11.480 19.986 26.897 236 1HB ASP 36 1HB ASP 36 -11.584 22.250 28.815 237 2HB ASP 36 2HB ASP 36 -10.618 22.527 27.366 238 H TYR 37 H TYR 37 -9.330 21.334 29.433 239 HA TYR 37 HA TYR 37 -6.999 20.245 27.889 240 1HB TYR 37 1HB TYR 37 -6.909 22.622 27.943 241 2HB TYR 37 2HB TYR 37 -7.439 22.683 29.624 242 HD1 TYR 37 HD1 TYR 37 -4.651 21.417 27.465 243 HD2 TYR 37 HD2 TYR 37 -5.852 22.796 31.353 244 HE1 TYR 37 HE1 TYR 37 -2.287 21.367 28.215 245 HE2 TYR 37 HE2 TYR 37 -3.488 22.745 32.101 246 HH TYR 37 HH TYR 37 -1.412 21.931 31.578 247 H GLY 38 H GLY 38 -5.519 18.957 29.022 248 1HA GLY 38 2HA GLY 38 -6.400 17.769 31.512 249 2HA GLY 38 1HA GLY 38 -5.037 18.856 31.766 250 H THR 39 H THR 39 -3.964 16.767 32.426 251 HA THR 39 HA THR 39 -2.482 15.663 30.123 252 HB THR 39 HB THR 39 -2.198 14.946 33.045 253 HG1 THR 39 HG1 THR 39 -1.514 17.312 31.683 254 1HG2 THR 39 1HG2 THR 39 -0.525 14.849 30.575 255 2HG2 THR 39 2HG2 THR 39 0.292 15.163 32.107 256 3HG2 THR 39 3HG2 THR 39 -0.647 13.686 31.895 257 H MET 40 H MET 40 -3.133 13.783 29.162 258 HA MET 40 HA MET 40 -5.180 12.091 30.455 259 1HB MET 40 1HB MET 40 -4.231 12.770 27.811 260 2HB MET 40 2HB MET 40 -4.274 11.016 27.996 261 1HG MET 40 1HG MET 40 -6.606 11.129 28.744 262 2HG MET 40 2HG MET 40 -6.572 12.889 28.641 263 1HE MET 40 1HE MET 40 -5.903 9.701 27.167 264 2HE MET 40 2HE MET 40 -6.961 9.619 25.751 265 3HE MET 40 3HE MET 40 -5.276 10.103 25.571 266 H GLU 41 H GLU 41 -4.484 10.482 31.819 267 HA GLU 41 HA GLU 41 -1.743 9.394 31.549 268 1HB GLU 41 1HB GLU 41 -2.147 8.543 33.742 269 2HB GLU 41 2HB GLU 41 -2.949 10.112 33.709 270 1HG GLU 41 1HG GLU 41 -5.057 8.811 32.984 271 2HG GLU 41 2HG GLU 41 -4.192 7.368 33.513 272 H VAL 42 H VAL 42 -1.434 7.646 30.240 273 HA VAL 42 HA VAL 42 -3.707 5.716 29.891 274 HB VAL 42 HB VAL 42 -1.447 6.395 27.986 275 1HG1 VAL 42 1HG1 VAL 42 -2.702 4.160 27.815 276 2HG1 VAL 42 2HG1 VAL 42 -4.119 5.117 27.386 277 3HG1 VAL 42 3HG1 VAL 42 -2.683 5.163 26.365 278 1HG2 VAL 42 1HG2 VAL 42 -4.248 7.502 28.257 279 2HG2 VAL 42 2HG2 VAL 42 -2.729 8.396 28.215 280 3HG2 VAL 42 3HG2 VAL 42 -3.332 7.612 26.755 281 H ALA 43 H ALA 43 -3.014 4.257 31.549 282 HA ALA 43 HA ALA 43 -0.358 3.371 32.024 283 1HB ALA 43 1HB ALA 43 -3.051 2.780 32.802 284 2HB ALA 43 3HB ALA 43 -2.238 1.256 32.448 285 3HB ALA 43 2HB ALA 43 -1.561 2.360 33.647 286 H GLU 44 H GLU 44 0.953 1.960 30.900 287 HA GLU 44 HA GLU 44 0.668 1.205 28.262 288 1HB GLU 44 1HB GLU 44 2.246 0.473 30.559 289 2HB GLU 44 2HB GLU 44 1.902 -0.973 29.609 290 1HG GLU 44 1HG GLU 44 2.668 0.257 27.563 291 2HG GLU 44 2HG GLU 44 3.141 1.604 28.600 292 H GLY 45 H GLY 45 -1.000 0.132 27.290 293 1HA GLY 45 2HA GLY 45 -2.104 -2.272 28.682 294 2HA GLY 45 1HA GLY 45 -2.031 -2.093 26.928 295 H GLU 46 H GLU 46 -2.826 0.903 27.844 296 HA GLU 46 HA GLU 46 -5.771 0.308 27.909 297 1HB GLU 46 1HB GLU 46 -4.555 1.329 29.949 298 2HB GLU 46 2HB GLU 46 -4.406 2.787 28.968 299 1HG GLU 46 2HG GLU 46 -6.422 3.132 30.139 300 2HG GLU 46 1HG GLU 46 -6.963 2.516 28.578 301 H TYR 47 H TYR 47 -6.494 0.710 25.831 302 HA TYR 47 HA TYR 47 -5.324 2.287 23.837 303 1HB TYR 47 1HB TYR 47 -8.281 1.915 24.422 304 2HB TYR 47 2HB TYR 47 -7.568 2.263 22.848 305 HD1 TYR 47 HD1 TYR 47 -5.214 0.543 22.765 306 HD2 TYR 47 HD2 TYR 47 -9.134 -0.272 24.322 307 HE1 TYR 47 HE1 TYR 47 -4.858 -1.882 22.393 308 HE2 TYR 47 HE2 TYR 47 -8.777 -2.698 23.950 309 HH TYR 47 HH TYR 47 -6.837 -4.260 23.744 310 H ILE 48 H ILE 48 -5.769 4.487 23.122 311 HA ILE 48 HA ILE 48 -5.679 6.487 25.115 312 HB ILE 48 HB ILE 48 -6.525 6.490 22.207 313 1HG1 ILE 48 1HG1 ILE 48 -4.069 7.856 22.866 314 2HG1 ILE 48 2HG1 ILE 48 -4.037 6.221 23.526 315 1HG2 ILE 48 1HG2 ILE 48 -6.102 8.780 24.136 316 2HG2 ILE 48 2HG2 ILE 48 -5.974 8.985 22.389 317 3HG2 ILE 48 3HG2 ILE 48 -7.501 8.473 23.107 318 1HD1 ILE 48 1HD1 ILE 48 -5.168 5.986 20.952 319 2HD1 ILE 48 2HD1 ILE 48 -3.791 7.074 20.772 320 3HD1 ILE 48 3HD1 ILE 48 -3.560 5.466 21.459 321 H LEU 49 H LEU 49 -8.472 6.068 22.894 322 HA LEU 49 HA LEU 49 -10.319 7.610 24.332 323 1HB LEU 49 1HB LEU 49 -10.864 6.836 22.153 324 2HB LEU 49 2HB LEU 49 -10.559 5.154 22.587 325 HG LEU 49 HG LEU 49 -12.648 6.583 24.157 326 1HD1 LEU 49 1HD1 LEU 49 -12.747 6.907 21.439 327 2HD1 LEU 49 2HD1 LEU 49 -13.637 5.398 21.638 328 3HD1 LEU 49 3HD1 LEU 49 -14.168 6.852 22.482 329 1HD2 LEU 49 1HD2 LEU 49 -12.121 3.822 23.077 330 2HD2 LEU 49 2HD2 LEU 49 -12.370 4.328 24.749 331 3HD2 LEU 49 3HD2 LEU 49 -13.735 4.265 23.633 332 H GLU 50 H GLU 50 -9.012 4.491 25.142 333 HA GLU 50 HA GLU 50 -11.163 3.682 26.944 334 1HB GLU 50 1HB GLU 50 -8.474 2.775 26.066 335 2HB GLU 50 2HB GLU 50 -8.974 2.239 27.669 336 1HG GLU 50 1HG GLU 50 -11.259 1.819 26.205 337 2HG GLU 50 2HG GLU 50 -10.005 1.461 25.018 338 H ALA 51 H ALA 51 -7.829 4.931 27.426 339 HA ALA 51 HA ALA 51 -8.104 5.197 30.293 340 1HB ALA 51 1HB ALA 51 -6.216 6.921 28.778 341 2HB ALA 51 2HB ALA 51 -6.075 5.187 28.486 342 3HB ALA 51 3HB ALA 51 -5.899 5.824 30.122 343 H ALA 52 H ALA 52 -8.763 7.291 27.544 344 HA ALA 52 HA ALA 52 -9.108 9.717 29.121 345 1HB ALA 52 1HB ALA 52 -9.331 8.781 26.323 346 2HB ALA 52 3HB ALA 52 -10.381 10.135 26.742 347 3HB ALA 52 2HB ALA 52 -8.635 10.274 26.953 348 H GLU 53 H GLU 53 -11.260 7.301 27.672 349 HA GLU 53 HA GLU 53 -13.751 8.520 28.325 350 1HB GLU 53 1HB GLU 53 -13.714 6.705 26.797 351 2HB GLU 53 2HB GLU 53 -12.776 5.695 27.896 352 1HG GLU 53 1HG GLU 53 -14.725 5.654 29.457 353 2HG GLU 53 2HG GLU 53 -15.659 6.566 28.269 354 H ALA 54 H ALA 54 -11.581 6.448 30.190 355 HA ALA 54 HA ALA 54 -13.334 5.976 32.420 356 1HB ALA 54 1HB ALA 54 -10.490 6.127 33.049 357 2HB ALA 54 3HB ALA 54 -10.773 5.263 31.538 358 3HB ALA 54 2HB ALA 54 -11.549 4.718 33.025 359 H GLN 55 H GLN 55 -11.453 8.729 31.427 360 HA GLN 55 HA GLN 55 -11.527 9.968 34.122 361 1HB GLN 55 1HB GLN 55 -10.409 10.771 31.419 362 2HB GLN 55 2HB GLN 55 -10.249 11.756 32.873 363 1HG GLN 55 1HG GLN 55 -9.196 8.941 32.466 364 2HG GLN 55 2HG GLN 55 -8.236 10.412 32.620 365 2HE2 GLN 55 2HE2 GLN 55 -9.688 7.848 34.393 366 1HE2 GLN 55 1HE2 GLN 55 -9.464 8.493 35.947 367 H GLY 56 H GLY 56 -13.203 10.089 31.045 368 1HA GLY 56 2HA GLY 56 -14.895 12.305 32.132 369 2HA GLY 56 1HA GLY 56 -15.531 10.995 31.137 370 H TYR 57 H TYR 57 -13.015 11.154 29.433 371 HA TYR 57 HA TYR 57 -13.282 13.808 28.142 372 1HB TYR 57 1HB TYR 57 -11.590 11.404 27.398 373 2HB TYR 57 2HB TYR 57 -11.333 13.074 26.902 374 HD1 TYR 57 HD1 TYR 57 -12.365 13.811 29.962 375 HD2 TYR 57 HD2 TYR 57 -9.148 11.594 28.177 376 HE1 TYR 57 HE1 TYR 57 -10.977 14.197 31.980 377 HE2 TYR 57 HE2 TYR 57 -7.763 11.977 30.193 378 HH TYR 57 HH TYR 57 -7.737 13.837 32.077 379 H ASP 58 H ASP 58 -15.108 13.937 26.847 380 HA ASP 58 HA ASP 58 -16.008 11.582 25.297 381 1HB ASP 58 1HB ASP 58 -17.005 14.334 25.975 382 2HB ASP 58 2HB ASP 58 -17.727 13.473 24.616 383 H TRP 59 H TRP 59 -15.726 11.389 23.072 384 HA TRP 59 HA TRP 59 -14.291 13.639 21.699 385 1HB TRP 59 1HB TRP 59 -14.137 10.647 21.206 386 2HB TRP 59 2HB TRP 59 -13.137 11.883 20.441 387 HD1 TRP 59 HD1 TRP 59 -13.943 10.611 24.006 388 HE1 TRP 59 HE1 TRP 59 -11.818 10.851 25.443 389 HE3 TRP 59 HE3 TRP 59 -10.825 12.816 20.612 390 HZ2 TRP 59 HZ2 TRP 59 -9.147 11.839 25.187 391 HZ3 TRP 59 HZ3 TRP 59 -8.497 13.392 21.236 392 HH2 TRP 59 HH2 TRP 59 -7.655 12.908 23.516 393 HA PRO 60 HA PRO 60 -17.583 13.718 18.803 394 1HB PRO 60 1HB PRO 60 -16.236 14.594 16.585 395 2HB PRO 60 2HB PRO 60 -16.623 15.643 17.962 396 1HG PRO 60 2HG PRO 60 -14.063 14.280 17.271 397 2HG PRO 60 1HG PRO 60 -14.334 15.898 17.932 398 1HD PRO 60 1HD PRO 60 -13.542 13.766 19.440 399 2HD PRO 60 2HD PRO 60 -14.481 15.128 20.088 400 H PHE 61 H PHE 61 -18.092 12.874 16.485 401 HA PHE 61 HA PHE 61 -17.097 10.092 16.302 402 1HB PHE 61 1HB PHE 61 -19.355 11.720 15.137 403 2HB PHE 61 2HB PHE 61 -18.986 10.112 14.516 404 HD1 PHE 61 HD1 PHE 61 -19.169 11.733 17.905 405 HD2 PHE 61 HD2 PHE 61 -20.310 8.423 15.416 406 HE1 PHE 61 HE1 PHE 61 -20.387 10.719 19.813 407 HE2 PHE 61 HE2 PHE 61 -21.529 7.409 17.324 408 HZ PHE 61 HZ PHE 61 -21.567 8.557 19.522 409 H SER 62 H SER 62 -15.855 9.337 14.598 410 HA SER 62 HA SER 62 -15.500 10.906 12.137 411 1HB SER 62 1HB SER 62 -13.941 12.134 13.377 412 2HB SER 62 2HB SER 62 -13.498 10.749 14.375 413 HG SER 62 HG SER 62 -12.461 9.855 12.571 414 H CYS 63 H CYS 63 -16.475 8.606 11.737 415 HA CYS 63 HA CYS 63 -14.391 6.910 10.626 416 1HB CYS 63 1HB CYS 63 -15.258 6.573 13.370 417 2HB CYS 63 2HB CYS 63 -15.655 5.137 12.428 418 H ARG 64 H ARG 64 -17.497 6.005 12.124 419 HA ARG 64 HA ARG 64 -18.700 5.725 9.399 420 1HB ARG 64 1HB ARG 64 -18.930 3.628 11.567 421 2HB ARG 64 2HB ARG 64 -19.292 3.460 9.850 422 1HG ARG 64 1HG ARG 64 -16.839 3.896 9.390 423 2HG ARG 64 2HG ARG 64 -16.564 3.785 11.128 424 1HD ARG 64 1HD ARG 64 -17.915 1.498 10.840 425 2HD ARG 64 2HD ARG 64 -17.288 1.626 9.185 426 HE ARG 64 HE ARG 64 -15.423 1.995 11.490 427 1HH1 ARG 64 1HH1 ARG 64 -15.127 1.625 8.318 428 2HH1 ARG 64 2HH1 ARG 64 -14.293 0.107 8.319 429 1HH2 ARG 64 1HH2 ARG 64 -14.929 -0.542 11.665 430 2HH2 ARG 64 2HH2 ARG 64 -14.181 -1.120 10.213 431 H ALA 65 H ALA 65 -21.050 4.395 10.524 432 HA ALA 65 HA ALA 65 -22.153 6.550 12.295 433 1HB ALA 65 1HB ALA 65 -24.239 5.753 10.659 434 2HB ALA 65 3HB ALA 65 -22.853 5.700 9.570 435 3HB ALA 65 2HB ALA 65 -23.256 7.197 10.414 436 H GLY 66 H GLY 66 -21.268 3.572 12.562 437 1HA GLY 66 2HA GLY 66 -23.088 1.647 12.894 438 2HA GLY 66 1HA GLY 66 -23.644 2.768 14.137 439 H ALA 67 H ALA 67 -20.278 2.125 13.206 440 HA ALA 67 HA ALA 67 -19.755 1.303 16.033 441 1HB ALA 67 1HB ALA 67 -19.448 -0.210 13.491 442 2HB ALA 67 3HB ALA 67 -19.760 -0.807 15.121 443 3HB ALA 67 2HB ALA 67 -18.122 -0.359 14.645 444 H CYS 68 H CYS 68 -17.502 1.622 16.656 445 HA CYS 68 HA CYS 68 -15.389 2.689 16.579 446 1HB CYS 68 1HB CYS 68 -15.774 1.621 14.122 447 2HB CYS 68 2HB CYS 68 -15.711 3.330 13.690 448 H ALA 69 H ALA 69 -16.461 4.435 17.817 449 HA ALA 69 HA ALA 69 -16.850 6.913 16.168 450 1HB ALA 69 1HB ALA 69 -18.295 5.930 18.650 451 2HB ALA 69 3HB ALA 69 -18.971 6.060 17.027 452 3HB ALA 69 2HB ALA 69 -18.543 7.517 17.923 453 H ASN 70 H ASN 70 -16.930 8.786 18.147 454 HA ASN 70 HA ASN 70 -15.513 10.052 19.557 455 1HB ASN 70 1HB ASN 70 -14.860 7.233 20.481 456 2HB ASN 70 2HB ASN 70 -14.559 8.708 21.401 457 2HD2 ASN 70 2HD2 ASN 70 -16.218 9.300 22.807 458 1HD2 ASN 70 1HD2 ASN 70 -17.831 8.786 22.682 459 H CYS 71 H CYS 71 -14.103 10.735 17.789 460 HA CYS 71 HA CYS 71 -11.344 9.774 18.088 461 1HB CYS 71 1HB CYS 71 -13.077 8.560 16.232 462 2HB CYS 71 2HB CYS 71 -12.058 9.637 15.276 463 H ALA 72 H ALA 72 -10.586 10.814 15.447 464 HA ALA 72 HA ALA 72 -10.108 12.872 14.378 465 1HB ALA 72 1HB ALA 72 -12.760 12.895 14.966 466 2HB ALA 72 3HB ALA 72 -12.226 14.283 15.913 467 3HB ALA 72 2HB ALA 72 -11.940 14.241 14.174 468 H SER 73 H SER 73 -8.116 13.299 15.399 469 HA SER 73 HA SER 73 -8.204 15.325 17.575 470 1HB SER 73 1HB SER 73 -7.774 12.577 18.000 471 2HB SER 73 2HB SER 73 -6.171 13.307 18.077 472 HG SER 73 HG SER 73 -7.515 14.957 19.412 473 H ILE 74 H ILE 74 -5.887 16.183 17.942 474 HA ILE 74 HA ILE 74 -4.251 15.973 15.439 475 HB ILE 74 HB ILE 74 -4.974 18.478 16.993 476 1HG1 ILE 74 1HG1 ILE 74 -6.896 17.486 15.764 477 2HG1 ILE 74 2HG1 ILE 74 -6.390 19.027 15.068 478 1HG2 ILE 74 1HG2 ILE 74 -3.529 18.082 14.354 479 2HG2 ILE 74 2HG2 ILE 74 -3.942 19.640 15.072 480 3HG2 ILE 74 3HG2 ILE 74 -2.778 18.581 15.870 481 1HD1 ILE 74 1HD1 ILE 74 -5.452 16.328 14.051 482 2HD1 ILE 74 2HD1 ILE 74 -6.807 17.221 13.359 483 3HD1 ILE 74 3HD1 ILE 74 -5.179 17.900 13.300 484 H VAL 75 H VAL 75 -2.887 14.534 16.794 485 HA VAL 75 HA VAL 75 -1.721 15.017 19.261 486 HB VAL 75 HB VAL 75 -1.367 13.055 17.782 487 1HG1 VAL 75 1HG1 VAL 75 -0.733 14.980 15.887 488 2HG1 VAL 75 2HG1 VAL 75 0.833 14.267 16.277 489 3HG1 VAL 75 3HG1 VAL 75 -0.484 13.243 15.705 490 1HG2 VAL 75 1HG2 VAL 75 0.225 13.624 19.661 491 2HG2 VAL 75 2HG2 VAL 75 0.943 12.658 18.371 492 3HG2 VAL 75 3HG2 VAL 75 1.268 14.390 18.461 493 H LYS 76 H LYS 76 -0.734 16.868 20.016 494 HA LYS 76 HA LYS 76 0.483 18.781 18.124 495 1HB LYS 76 1HB LYS 76 -0.988 19.194 20.250 496 2HB LYS 76 2HB LYS 76 0.519 18.949 21.133 497 1HG LYS 76 1HG LYS 76 0.732 21.208 20.774 498 2HG LYS 76 2HG LYS 76 1.399 20.655 19.238 499 1HD LYS 76 1HD LYS 76 -1.225 20.657 18.602 500 2HD LYS 76 2HD LYS 76 -1.221 21.940 19.813 501 1HE LYS 76 1HE LYS 76 -0.770 23.054 17.747 502 2HE LYS 76 2HE LYS 76 0.820 22.886 18.514 503 1HZ LYS 76 1HZ LYS 76 0.933 20.663 17.339 504 2HZ LYS 76 2HZ LYS 76 -0.393 21.178 16.412 505 3HZ LYS 76 3HZ LYS 76 1.074 22.031 16.345 506 H GLU 77 H GLU 77 1.518 16.058 19.863 507 HA GLU 77 HA GLU 77 4.249 16.266 19.087 508 1HB GLU 77 1HB GLU 77 3.417 17.815 21.411 509 2HB GLU 77 2HB GLU 77 4.683 16.662 21.829 510 1HG GLU 77 1HG GLU 77 5.031 18.209 19.304 511 2HG GLU 77 2HG GLU 77 5.246 19.083 20.821 512 H GLY 78 H GLY 78 5.252 14.287 19.492 513 1HA GLY 78 2HA GLY 78 3.938 12.484 21.482 514 2HA GLY 78 1HA GLY 78 5.632 12.367 21.012 515 H GLU 79 H GLU 79 3.905 10.148 20.840 516 HA GLU 79 HA GLU 79 2.912 9.866 18.099 517 1HB GLU 79 1HB GLU 79 5.346 9.806 17.770 518 2HB GLU 79 2HB GLU 79 5.496 8.549 18.998 519 1HG GLU 79 1HG GLU 79 4.033 7.076 17.610 520 2HG GLU 79 2HG GLU 79 4.013 8.322 16.362 521 H ILE 80 H ILE 80 1.708 7.912 17.870 522 HA ILE 80 HA ILE 80 1.457 6.286 20.380 523 HB ILE 80 HB ILE 80 -0.635 6.832 18.254 524 1HG1 ILE 80 1HG1 ILE 80 -0.228 8.229 20.916 525 2HG1 ILE 80 2HG1 ILE 80 0.135 8.938 19.343 526 1HG2 ILE 80 1HG2 ILE 80 -0.790 5.814 21.108 527 2HG2 ILE 80 2HG2 ILE 80 -2.178 6.128 20.067 528 3HG2 ILE 80 3HG2 ILE 80 -1.036 4.851 19.652 529 1HD1 ILE 80 1HD1 ILE 80 -2.547 7.815 19.398 530 2HD1 ILE 80 2HD1 ILE 80 -2.331 9.010 20.676 531 3HD1 ILE 80 3HD1 ILE 80 -2.034 9.454 18.996 532 H ASP 81 H ASP 81 0.818 4.000 19.991 533 HA ASP 81 HA ASP 81 1.752 2.987 17.322 534 1HB ASP 81 1HB ASP 81 3.428 2.528 18.975 535 2HB ASP 81 2HB ASP 81 2.218 2.024 20.156 536 H MET 82 H MET 82 0.176 1.827 16.282 537 HA MET 82 HA MET 82 -2.049 0.679 17.938 538 1HB MET 82 1HB MET 82 -2.162 2.599 16.019 539 2HB MET 82 2HB MET 82 -2.378 1.159 15.025 540 1HG MET 82 1HG MET 82 -4.339 0.521 16.156 541 2HG MET 82 2HG MET 82 -3.960 1.514 17.564 542 1HE MET 82 1HE MET 82 -6.531 1.096 15.884 543 2HE MET 82 2HE MET 82 -7.103 2.484 14.961 544 3HE MET 82 3HE MET 82 -5.958 1.346 14.238 545 H ASP 83 H ASP 83 -3.173 -1.149 16.469 546 HA ASP 83 HA ASP 83 -1.002 -3.085 15.798 547 1HB ASP 83 1HB ASP 83 -3.408 -3.144 17.282 548 2HB ASP 83 2HB ASP 83 -3.698 -4.137 15.854 549 H MET 84 H MET 84 -2.149 -4.803 14.094 550 HA MET 84 HA MET 84 -2.086 -3.562 11.542 551 1HB MET 84 1HB MET 84 -1.883 -6.041 12.358 552 2HB MET 84 2HB MET 84 -3.633 -6.076 12.148 553 1HG MET 84 1HG MET 84 -2.737 -4.859 9.818 554 2HG MET 84 2HG MET 84 -1.519 -6.098 10.123 555 1HE MET 84 1HE MET 84 -3.052 -5.837 7.776 556 2HE MET 84 2HE MET 84 -4.100 -7.209 7.384 557 3HE MET 84 3HE MET 84 -4.787 -5.741 8.072 558 H GLN 85 H GLN 85 -3.564 -1.710 11.734 559 HA GLN 85 HA GLN 85 -6.354 -2.438 11.058 560 1HB GLN 85 1HB GLN 85 -5.560 -1.862 13.679 561 2HB GLN 85 2HB GLN 85 -6.270 -0.355 13.102 562 1HG GLN 85 1HG GLN 85 -7.762 -2.825 12.415 563 2HG GLN 85 2HG GLN 85 -7.738 -2.396 14.125 564 2HE2 GLN 85 2HE2 GLN 85 -8.219 -0.750 10.939 565 1HE2 GLN 85 1HE2 GLN 85 -9.465 0.262 11.490 566 H GLN 86 H GLN 86 -6.693 -1.217 9.241 567 HA GLN 86 HA GLN 86 -6.674 0.633 7.771 568 1HB GLN 86 1HB GLN 86 -7.585 1.386 10.218 569 2HB GLN 86 2HB GLN 86 -6.214 2.481 10.049 570 1HG GLN 86 1HG GLN 86 -8.295 3.475 9.135 571 2HG GLN 86 2HG GLN 86 -7.076 3.252 7.880 572 2HE2 GLN 86 2HE2 GLN 86 -8.672 0.378 9.080 573 1HE2 GLN 86 1HE2 GLN 86 -9.672 0.131 7.731 574 H ILE 87 H ILE 87 -5.294 2.734 7.297 575 HA ILE 87 HA ILE 87 -2.437 2.264 8.071 576 HB ILE 87 HB ILE 87 -2.020 2.929 5.601 577 1HG1 ILE 87 1HG1 ILE 87 -4.940 2.119 5.451 578 2HG1 ILE 87 2HG1 ILE 87 -4.327 3.753 5.198 579 1HG2 ILE 87 1HG2 ILE 87 -2.251 0.515 6.844 580 2HG2 ILE 87 2HG2 ILE 87 -3.468 0.347 5.579 581 3HG2 ILE 87 3HG2 ILE 87 -1.795 0.704 5.151 582 1HD1 ILE 87 1HD1 ILE 87 -2.825 1.916 3.569 583 2HD1 ILE 87 2HD1 ILE 87 -4.548 1.673 3.280 584 3HD1 ILE 87 3HD1 ILE 87 -3.832 3.269 3.056 585 H LEU 88 H LEU 88 -1.100 4.240 7.821 586 HA LEU 88 HA LEU 88 -2.667 6.780 7.633 587 1HB LEU 88 1HB LEU 88 -2.515 6.168 9.987 588 2HB LEU 88 2HB LEU 88 -0.779 5.898 9.838 589 HG LEU 88 HG LEU 88 -1.635 8.554 8.914 590 1HD1 LEU 88 1HD1 LEU 88 -2.925 7.631 11.206 591 2HD1 LEU 88 2HD1 LEU 88 -1.555 8.549 11.832 592 3HD1 LEU 88 3HD1 LEU 88 -2.713 9.320 10.747 593 1HD2 LEU 88 1HD2 LEU 88 0.636 7.229 10.060 594 2HD2 LEU 88 2HD2 LEU 88 0.553 8.842 9.352 595 3HD2 LEU 88 3HD2 LEU 88 0.226 8.615 11.069 596 H SER 89 H SER 89 -1.473 8.504 6.760 597 HA SER 89 HA SER 89 1.143 7.776 5.548 598 1HB SER 89 1HB SER 89 -0.508 10.281 5.157 599 2HB SER 89 2HB SER 89 0.648 9.559 4.039 600 HG SER 89 HG SER 89 -1.988 8.951 4.494 601 H ASP 90 H ASP 90 3.032 9.013 5.952 602 HA ASP 90 HA ASP 90 3.371 10.150 8.548 603 1HB ASP 90 1HB ASP 90 5.023 9.176 6.759 604 2HB ASP 90 2HB ASP 90 5.075 10.835 6.163 605 H GLU 91 H GLU 91 3.098 11.740 5.358 606 HA GLU 91 HA GLU 91 3.310 14.426 6.210 607 1HB GLU 91 1HB GLU 91 2.695 12.964 3.885 608 2HB GLU 91 2HB GLU 91 1.318 14.038 4.128 609 1HG GLU 91 1HG GLU 91 2.809 15.972 4.267 610 2HG GLU 91 2HG GLU 91 4.221 14.923 4.136 611 H GLU 92 H GLU 92 0.708 12.137 6.595 612 HA GLU 92 HA GLU 92 -1.399 14.073 7.110 613 1HB GLU 92 1HB GLU 92 -0.956 11.188 7.035 614 2HB GLU 92 2HB GLU 92 -2.017 11.649 8.365 615 1HG GLU 92 1HG GLU 92 -3.108 13.178 6.461 616 2HG GLU 92 2HG GLU 92 -2.432 11.926 5.420 617 H VAL 93 H VAL 93 0.778 12.125 9.166 618 HA VAL 93 HA VAL 93 -0.308 13.172 11.657 619 HB VAL 93 HB VAL 93 0.990 10.956 11.024 620 1HG1 VAL 93 1HG1 VAL 93 3.004 12.554 10.371 621 2HG1 VAL 93 2HG1 VAL 93 3.347 12.460 12.098 622 3HG1 VAL 93 3HG1 VAL 93 3.305 10.989 11.126 623 1HG2 VAL 93 1HG2 VAL 93 0.446 12.346 13.419 624 2HG2 VAL 93 2HG2 VAL 93 0.786 10.624 13.241 625 3HG2 VAL 93 3HG2 VAL 93 2.100 11.754 13.571 626 H GLU 94 H GLU 94 2.033 14.251 9.341 627 HA GLU 94 HA GLU 94 3.301 16.131 11.267 628 1HB GLU 94 1HB GLU 94 4.185 14.609 9.128 629 2HB GLU 94 2HB GLU 94 4.058 16.223 8.428 630 1HG GLU 94 1HG GLU 94 5.339 17.066 10.466 631 2HG GLU 94 2HG GLU 94 5.663 15.376 10.852 632 H GLU 95 H GLU 95 1.172 16.083 8.440 633 HA GLU 95 HA GLU 95 1.086 19.051 8.359 634 1HB GLU 95 1HB GLU 95 1.255 17.418 6.361 635 2HB GLU 95 2HB GLU 95 -0.449 17.079 6.660 636 1HG GLU 95 1HG GLU 95 -1.112 19.083 5.822 637 2HG GLU 95 2HG GLU 95 0.202 19.950 6.618 638 H LYS 96 H LYS 96 -0.851 16.296 9.377 639 HA LYS 96 HA LYS 96 -3.070 18.184 10.099 640 1HB LYS 96 1HB LYS 96 -2.915 15.524 8.834 641 2HB LYS 96 2HB LYS 96 -4.146 15.655 10.091 642 1HG LYS 96 1HG LYS 96 -4.486 18.016 8.731 643 2HG LYS 96 2HG LYS 96 -4.034 16.916 7.428 644 1HD LYS 96 1HD LYS 96 -5.772 15.299 8.461 645 2HD LYS 96 2HD LYS 96 -6.366 16.711 9.334 646 1HE LYS 96 1HE LYS 96 -5.934 16.943 6.370 647 2HE LYS 96 2HE LYS 96 -7.385 16.113 6.964 648 1HZ LYS 96 1HZ LYS 96 -7.622 18.074 8.528 649 2HZ LYS 96 2HZ LYS 96 -6.469 18.870 7.569 650 3HZ LYS 96 3HZ LYS 96 -7.950 18.388 6.892 651 H ASP 97 H ASP 97 -0.712 15.968 11.293 652 HA ASP 97 HA ASP 97 -0.275 15.190 13.485 653 1HB ASP 97 1HB ASP 97 -1.723 17.764 13.641 654 2HB ASP 97 2HB ASP 97 -1.768 16.808 15.124 655 H VAL 98 H VAL 98 -2.762 14.289 11.904 656 HA VAL 98 HA VAL 98 -4.724 13.657 14.007 657 HB VAL 98 HB VAL 98 -5.365 14.225 11.691 658 1HG1 VAL 98 1HG1 VAL 98 -3.651 11.813 11.072 659 2HG1 VAL 98 2HG1 VAL 98 -4.874 12.400 9.946 660 3HG1 VAL 98 3HG1 VAL 98 -3.525 13.440 10.403 661 1HG2 VAL 98 1HG2 VAL 98 -6.446 12.270 13.220 662 2HG2 VAL 98 2HG2 VAL 98 -7.097 12.725 11.646 663 3HG2 VAL 98 3HG2 VAL 98 -6.028 11.330 11.787 664 H ARG 99 H ARG 99 -5.337 11.363 14.427 665 HA ARG 99 HA ARG 99 -3.665 9.151 13.637 666 1HB ARG 99 1HB ARG 99 -2.623 10.929 15.594 667 2HB ARG 99 2HB ARG 99 -3.068 9.447 16.440 668 1HG ARG 99 1HG ARG 99 -1.867 8.554 14.082 669 2HG ARG 99 2HG ARG 99 -0.872 9.922 14.583 670 1HD ARG 99 1HD ARG 99 -1.419 8.495 16.957 671 2HD ARG 99 2HD ARG 99 -1.009 7.269 15.742 672 HE ARG 99 HE ARG 99 0.767 9.434 16.687 673 1HH1 ARG 99 1HH1 ARG 99 1.993 9.972 14.522 674 2HH1 ARG 99 2HH1 ARG 99 2.759 8.568 13.855 675 1HH2 ARG 99 1HH2 ARG 99 0.915 6.332 15.758 676 2HH2 ARG 99 2HH2 ARG 99 2.148 6.507 14.555 677 H LEU 100 H LEU 100 -5.071 7.460 13.851 678 HA LEU 100 HA LEU 100 -7.558 7.465 15.127 679 1HB LEU 100 1HB LEU 100 -5.541 5.354 14.392 680 2HB LEU 100 2HB LEU 100 -7.047 4.890 15.185 681 HG LEU 100 HG LEU 100 -7.853 6.679 13.203 682 1HD1 LEU 100 1HD1 LEU 100 -5.320 6.010 12.459 683 2HD1 LEU 100 2HD1 LEU 100 -6.234 4.713 11.690 684 3HD1 LEU 100 3HD1 LEU 100 -6.604 6.396 11.312 685 1HD2 LEU 100 1HD2 LEU 100 -8.331 4.035 14.021 686 2HD2 LEU 100 2HD2 LEU 100 -9.259 4.955 12.836 687 3HD2 LEU 100 3HD2 LEU 100 -7.933 3.917 12.307 688 H THR 101 H THR 101 -8.069 7.653 17.273 689 HA THR 101 HA THR 101 -6.006 6.964 19.317 690 HB THR 101 HB THR 101 -7.547 8.332 20.766 691 HG1 THR 101 HG1 THR 101 -9.453 8.746 20.031 692 1HG2 THR 101 1HG2 THR 101 -5.916 9.182 18.568 693 2HG2 THR 101 2HG2 THR 101 -7.280 10.290 18.720 694 3HG2 THR 101 3HG2 THR 101 -6.214 10.010 20.097 695 H CYS 102 H CYS 102 -7.733 4.938 17.887 696 HA CYS 102 HA CYS 102 -9.257 3.893 20.252 697 1HB CYS 102 1HB CYS 102 -9.615 3.575 17.256 698 2HB CYS 102 2HB CYS 102 -10.558 2.684 18.452 699 H ILE 103 H ILE 103 -8.988 1.662 20.754 700 HA ILE 103 HA ILE 103 -7.543 -0.191 21.130 701 HB ILE 103 HB ILE 103 -7.531 -1.582 19.100 702 1HG1 ILE 103 1HG1 ILE 103 -8.535 0.847 17.601 703 2HG1 ILE 103 2HG1 ILE 103 -6.836 0.375 17.607 704 1HG2 ILE 103 1HG2 ILE 103 -9.807 -0.300 20.247 705 2HG2 ILE 103 2HG2 ILE 103 -10.098 -0.462 18.515 706 3HG2 ILE 103 3HG2 ILE 103 -9.724 -1.888 19.483 707 1HD1 ILE 103 1HD1 ILE 103 -7.545 -1.905 16.798 708 2HD1 ILE 103 2HD1 ILE 103 -9.184 -1.277 16.629 709 3HD1 ILE 103 3HD1 ILE 103 -7.878 -0.608 15.651 710 H GLY 104 H GLY 104 -6.090 2.362 20.754 711 1HA GLY 104 2HA GLY 104 -4.024 2.866 19.289 712 2HA GLY 104 1HA GLY 104 -3.542 1.217 19.692 713 H SER 105 H SER 105 -1.676 1.832 20.863 714 HA SER 105 HA SER 105 -2.229 3.234 23.457 715 1HB SER 105 1HB SER 105 -0.153 1.798 24.116 716 2HB SER 105 2HB SER 105 -1.704 0.981 23.918 717 HG SER 105 HG SER 105 0.548 0.982 22.261 718 HA PRO 106 HA PRO 106 0.745 6.208 22.135 719 1HB PRO 106 1HB PRO 106 1.312 7.308 24.576 720 2HB PRO 106 2HB PRO 106 -0.198 7.623 23.700 721 1HG PRO 106 2HG PRO 106 0.328 5.784 25.981 722 2HG PRO 106 1HG PRO 106 -1.088 6.791 25.648 723 1HD PRO 106 1HD PRO 106 -0.973 4.090 25.181 724 2HD PRO 106 2HD PRO 106 -2.049 5.204 24.313 725 H ALA 107 H ALA 107 3.052 6.490 22.157 726 HA ALA 107 HA ALA 107 4.546 4.345 23.622 727 1HB ALA 107 1HB ALA 107 4.463 5.321 20.882 728 2HB ALA 107 3HB ALA 107 6.106 5.349 21.523 729 3HB ALA 107 2HB ALA 107 5.189 3.843 21.512 730 H ALA 108 H ALA 108 5.156 7.570 22.209 731 HA ALA 108 HA ALA 108 7.459 8.254 23.654 732 1HB ALA 108 1HB ALA 108 6.951 9.816 22.054 733 2HB ALA 108 3HB ALA 108 5.213 9.636 22.295 734 3HB ALA 108 2HB ALA 108 6.157 10.632 23.403 735 H ASP 109 H ASP 109 7.836 8.831 25.778 736 HA ASP 109 HA ASP 109 6.171 8.295 27.924 737 1HB ASP 109 1HB ASP 109 8.649 9.210 27.648 738 2HB ASP 109 2HB ASP 109 7.880 10.762 27.977 739 H GLU 110 H GLU 110 6.692 11.675 26.859 740 HA GLU 110 HA GLU 110 3.942 12.329 27.812 741 1HB GLU 110 1HB GLU 110 6.503 13.828 27.284 742 2HB GLU 110 2HB GLU 110 4.977 14.701 27.425 743 1HG GLU 110 1HG GLU 110 5.576 14.698 29.649 744 2HG GLU 110 2HG GLU 110 4.753 13.139 29.598 745 H VAL 111 H VAL 111 2.353 12.725 26.312 746 HA VAL 111 HA VAL 111 3.187 13.410 23.514 747 HB VAL 111 HB VAL 111 1.039 11.481 24.454 748 1HG1 VAL 111 1HG1 VAL 111 1.553 12.824 21.913 749 2HG1 VAL 111 2HG1 VAL 111 1.582 11.069 21.751 750 3HG1 VAL 111 3HG1 VAL 111 0.156 11.868 22.411 751 1HG2 VAL 111 1HG2 VAL 111 3.385 10.679 24.746 752 2HG2 VAL 111 2HG2 VAL 111 2.498 9.747 23.540 753 3HG2 VAL 111 3HG2 VAL 111 3.667 10.964 23.028 754 H LYS 112 H LYS 112 2.028 15.102 22.637 755 HA LYS 112 HA LYS 112 -0.235 16.208 24.256 756 1HB LYS 112 1HB LYS 112 1.393 17.549 22.083 757 2HB LYS 112 2HB LYS 112 0.414 18.323 23.328 758 1HG LYS 112 1HG LYS 112 1.937 17.567 25.066 759 2HG LYS 112 2HG LYS 112 2.860 16.624 23.897 760 1HD LYS 112 1HD LYS 112 4.032 18.437 23.223 761 2HD LYS 112 2HD LYS 112 2.571 19.416 23.083 762 1HE LYS 112 1HE LYS 112 2.592 19.817 25.520 763 2HE LYS 112 2HE LYS 112 4.046 18.812 25.674 764 1HZ LYS 112 1HZ LYS 112 4.984 20.316 23.855 765 2HZ LYS 112 2HZ LYS 112 3.716 21.380 24.233 766 3HZ LYS 112 3HZ LYS 112 4.866 20.975 25.415 767 H ILE 113 H ILE 113 -2.223 16.616 23.226 768 HA ILE 113 HA ILE 113 -2.509 16.299 20.318 769 HB ILE 113 HB ILE 113 -2.380 13.983 21.249 770 1HG1 ILE 113 1HG1 ILE 113 -5.198 13.976 20.556 771 2HG1 ILE 113 2HG1 ILE 113 -4.295 15.062 19.501 772 1HG2 ILE 113 1HG2 ILE 113 -3.348 14.568 23.473 773 2HG2 ILE 113 2HG2 ILE 113 -4.919 14.788 22.701 774 3HG2 ILE 113 3HG2 ILE 113 -4.163 13.195 22.725 775 1HD1 ILE 113 1HD1 ILE 113 -2.638 12.841 19.710 776 2HD1 ILE 113 2HD1 ILE 113 -4.254 12.139 19.631 777 3HD1 ILE 113 3HD1 ILE 113 -3.694 13.211 18.348 778 H VAL 114 H VAL 114 -4.486 17.172 19.588 779 HA VAL 114 HA VAL 114 -6.024 18.708 21.616 780 HB VAL 114 HB VAL 114 -6.305 18.699 18.603 781 1HG1 VAL 114 1HG1 VAL 114 -7.839 19.938 20.403 782 2HG1 VAL 114 2HG1 VAL 114 -6.523 21.112 20.352 783 3HG1 VAL 114 3HG1 VAL 114 -7.407 20.713 18.878 784 1HG2 VAL 114 1HG2 VAL 114 -4.110 19.732 20.320 785 2HG2 VAL 114 2HG2 VAL 114 -4.073 19.226 18.632 786 3HG2 VAL 114 3HG2 VAL 114 -4.698 20.818 19.063 787 H TYR 115 H TYR 115 -8.013 17.969 22.296 788 HA TYR 115 HA TYR 115 -9.170 15.602 20.923 789 1HB TYR 115 2HB TYR 115 -9.800 15.043 23.034 790 2HB TYR 115 1HB TYR 115 -8.771 16.368 23.564 791 HD1 TYR 115 HD1 TYR 115 -9.731 18.550 24.177 792 HD2 TYR 115 HD2 TYR 115 -12.224 15.262 22.984 793 HE1 TYR 115 HE1 TYR 115 -11.717 19.733 25.069 794 HE2 TYR 115 HE2 TYR 115 -14.212 16.447 23.878 795 HH TYR 115 HH TYR 115 -14.552 19.380 24.330 796 H ASN 116 H ASN 116 -11.438 15.581 20.302 797 HA ASN 116 HA ASN 116 -13.447 16.528 19.475 798 1HB ASN 116 1HB ASN 116 -12.577 18.144 21.629 799 2HB ASN 116 2HB ASN 116 -13.025 19.255 20.335 800 2HD2 ASN 116 2HD2 ASN 116 -14.715 19.398 22.441 801 1HD2 ASN 116 1HD2 ASN 116 -16.167 18.568 22.151 802 H ALA 117 H ALA 117 -11.372 16.310 17.694 803 HA ALA 117 HA ALA 117 -10.491 18.720 16.431 804 1HB ALA 117 1HB ALA 117 -9.814 16.194 16.211 805 2HB ALA 117 3HB ALA 117 -9.688 17.235 14.793 806 3HB ALA 117 2HB ALA 117 -11.067 16.149 14.970 807 H LYS 118 H LYS 118 -13.556 17.070 16.385 808 HA LYS 118 HA LYS 118 -14.725 17.693 13.954 809 1HB LYS 118 2HB LYS 118 -16.817 17.846 15.255 810 2HB LYS 118 1HB LYS 118 -15.789 16.562 15.892 811 1HG LYS 118 1HG LYS 118 -16.123 17.585 17.897 812 2HG LYS 118 2HG LYS 118 -14.905 18.726 17.325 813 1HD LYS 118 1HD LYS 118 -16.986 19.850 18.144 814 2HD LYS 118 2HD LYS 118 -16.637 20.201 16.452 815 1HE LYS 118 1HE LYS 118 -18.494 19.071 15.713 816 2HE LYS 118 2HE LYS 118 -18.323 17.801 16.939 817 H HIS 119 H HIS 119 -13.707 19.922 16.459 818 HA HIS 119 HA HIS 119 -15.198 22.238 15.657 819 1HB HIS 119 1HB HIS 119 -12.509 21.831 17.002 820 2HB HIS 119 2HB HIS 119 -13.332 23.388 16.913 821 HD1 HIS 119 HD1 HIS 119 -16.190 22.684 17.538 822 HD2 HIS 119 HD2 HIS 119 -12.992 20.954 19.576 823 HE1 HIS 119 HE1 HIS 119 -17.110 21.864 19.750 824 H LEU 120 H LEU 120 -12.498 20.597 14.238 825 HA LEU 120 HA LEU 120 -10.943 22.448 12.939 826 1HB LEU 120 1HB LEU 120 -11.780 19.753 12.590 827 2HB LEU 120 2HB LEU 120 -11.864 20.524 11.006 828 HG LEU 120 HG LEU 120 -9.464 21.405 12.286 829 1HD1 LEU 120 1HD1 LEU 120 -10.077 19.057 13.449 830 2HD1 LEU 120 2HD1 LEU 120 -9.309 18.446 11.984 831 3HD1 LEU 120 3HD1 LEU 120 -8.416 19.513 13.067 832 1HD2 LEU 120 1HD2 LEU 120 -10.364 20.058 9.828 833 2HD2 LEU 120 2HD2 LEU 120 -9.160 21.330 10.036 834 3HD2 LEU 120 3HD2 LEU 120 -8.718 19.644 10.306 835 H ASP 121 H ASP 121 -11.440 24.270 11.789 836 HA ASP 121 HA ASP 121 -13.968 25.149 10.990 837 1HB ASP 121 1HB ASP 121 -11.573 26.229 11.021 838 2HB ASP 121 2HB ASP 121 -11.509 25.695 9.341 839 H TYR 122 H TYR 122 -11.819 22.887 9.363 840 HA TYR 122 HA TYR 122 -13.062 22.927 6.772 841 1HB TYR 122 1HB TYR 122 -10.869 21.996 7.104 842 2HB TYR 122 2HB TYR 122 -11.461 20.894 8.347 843 HD1 TYR 122 HD1 TYR 122 -12.275 21.802 4.788 844 HD2 TYR 122 HD2 TYR 122 -11.786 18.687 7.704 845 HE1 TYR 122 HE1 TYR 122 -12.752 20.099 3.050 846 HE2 TYR 122 HE2 TYR 122 -12.264 16.984 5.966 847 HH TYR 122 HH TYR 122 -12.180 16.761 3.544 848 H LEU 123 H LEU 123 -13.789 21.231 9.778 849 HA LEU 123 HA LEU 123 -16.007 19.745 8.435 850 1HB LEU 123 1HB LEU 123 -14.726 19.509 11.179 851 2HB LEU 123 2HB LEU 123 -15.946 18.416 10.528 852 HG LEU 123 HG LEU 123 -13.151 18.880 9.454 853 1HD1 LEU 123 1HD1 LEU 123 -14.576 16.488 10.652 854 2HD1 LEU 123 2HD1 LEU 123 -12.994 16.405 9.877 855 3HD1 LEU 123 3HD1 LEU 123 -13.208 17.360 11.344 856 1HD2 LEU 123 1HD2 LEU 123 -15.607 17.777 8.206 857 2HD2 LEU 123 2HD2 LEU 123 -14.187 18.499 7.449 858 3HD2 LEU 123 3HD2 LEU 123 -14.142 16.820 7.990 859 H GLN 124 H GLN 124 -15.338 22.340 10.670 860 HA GLN 124 HA GLN 124 -17.621 22.506 12.261 861 1HB GLN 124 1HB GLN 124 -15.876 24.093 12.523 862 2HB GLN 124 2HB GLN 124 -15.926 24.548 10.821 863 1HG GLN 124 1HG GLN 124 -17.474 26.133 11.232 864 2HG GLN 124 2HG GLN 124 -18.514 24.968 12.051 865 2HE2 GLN 124 2HE2 GLN 124 -15.273 26.377 12.837 866 1HE2 GLN 124 1HE2 GLN 124 -15.703 26.849 14.409 867 H ASN 125 H ASN 125 -17.315 23.205 8.813 868 HA ASN 125 HA ASN 125 -19.738 24.603 8.358 869 1HB ASN 125 1HB ASN 125 -17.768 22.992 6.868 870 2HB ASN 125 2HB ASN 125 -19.369 23.027 6.127 871 2HD2 ASN 125 2HD2 ASN 125 -19.448 24.683 4.603 872 1HD2 ASN 125 1HD2 ASN 125 -18.749 26.217 4.791 873 H ARG 126 H ARG 126 -19.147 21.188 8.958 874 HA ARG 126 HA ARG 126 -21.466 19.976 7.947 875 1HB ARG 126 1HB ARG 126 -19.811 19.557 10.444 876 2HB ARG 126 2HB ARG 126 -21.106 18.450 9.990 877 1HG ARG 126 1HG ARG 126 -19.515 18.951 7.668 878 2HG ARG 126 2HG ARG 126 -18.430 18.534 8.994 879 1HD ARG 126 1HD ARG 126 -19.345 16.401 9.245 880 2HD ARG 126 2HD ARG 126 -20.915 16.888 8.580 881 HE ARG 126 HE ARG 126 -18.507 16.887 6.810 882 1HH1 ARG 126 1HH1 ARG 126 -21.235 15.149 7.893 883 2HH1 ARG 126 2HH1 ARG 126 -21.697 14.599 6.317 884 1HH2 ARG 126 1HH2 ARG 126 -19.264 16.438 4.670 885 2HH2 ARG 126 2HH2 ARG 126 -20.579 15.326 4.492 886 H VAL 127 H VAL 127 -21.055 21.700 11.050 887 HA VAL 127 HA VAL 127 -23.529 21.226 12.261 888 HB VAL 127 HB VAL 127 -21.488 22.577 13.028 889 1HG1 VAL 127 1HG1 VAL 127 -22.284 24.178 10.846 890 2HG1 VAL 127 2HG1 VAL 127 -22.661 25.117 12.290 891 3HG1 VAL 127 3HG1 VAL 127 -21.017 24.536 12.019 892 1HG2 VAL 127 1HG2 VAL 127 -23.726 22.415 14.224 893 2HG2 VAL 127 2HG2 VAL 127 -22.789 23.866 14.581 894 3HG2 VAL 127 3HG2 VAL 127 -24.152 23.948 13.465 895 H ILE 128 H ILE 128 -25.467 22.695 12.334 896 HA ILE 128 HA ILE 128 -26.001 23.983 9.676 897 HB ILE 128 HB ILE 128 -27.867 22.333 11.413 898 1HG1 ILE 128 2HG1 ILE 128 -27.607 20.983 9.061 899 2HG1 ILE 128 1HG1 ILE 128 -25.987 21.661 9.226 900 1HG2 ILE 128 1HG2 ILE 128 -28.228 24.073 9.068 901 2HG2 ILE 128 2HG2 ILE 128 -28.911 22.460 8.865 902 3HG2 ILE 128 3HG2 ILE 128 -29.425 23.472 10.215 903 1HD1 ILE 128 1HD1 ILE 128 -27.187 20.447 11.666 904 2HD1 ILE 128 2HD1 ILE 128 -26.699 19.337 10.385 905 3HD1 ILE 128 3HD1 ILE 128 -25.514 20.427 11.108 No H/Q in entry = 905 Start of MODEL 19 1 H2 PRO 1 H2 PRO 1 3.456 7.833 30.859 2 H3 PRO 1 H3 PRO 1 4.492 6.950 29.836 3 HA PRO 1 HA PRO 1 2.949 7.072 28.256 4 1HB PRO 1 1HB PRO 1 0.794 5.657 29.172 5 2HB PRO 1 2HB PRO 1 2.319 4.891 28.689 6 1HG PRO 1 2HG PRO 1 1.298 5.547 31.411 7 2HG PRO 1 1HG PRO 1 2.177 4.116 30.852 8 1HD PRO 1 1HD PRO 1 3.347 6.162 32.223 9 2HD PRO 1 2HD PRO 1 4.220 5.136 31.067 10 H THR 2 H THR 2 2.894 9.472 29.499 11 HA THR 2 HA THR 2 0.037 10.051 30.174 12 HB THR 2 HB THR 2 2.674 11.458 30.677 13 HG1 THR 2 HG1 THR 2 2.520 10.392 32.456 14 1HG2 THR 2 1HG2 THR 2 -0.165 12.375 31.159 15 2HG2 THR 2 2HG2 THR 2 1.213 13.048 32.031 16 3HG2 THR 2 3HG2 THR 2 1.110 13.218 30.278 17 H VAL 3 H VAL 3 -1.148 11.366 28.813 18 HA VAL 3 HA VAL 3 0.307 12.743 26.579 19 HB VAL 3 HB VAL 3 -2.368 11.309 26.497 20 1HG1 VAL 3 1HG1 VAL 3 -0.674 12.766 24.478 21 2HG1 VAL 3 2HG1 VAL 3 -1.772 11.485 23.963 22 3HG1 VAL 3 3HG1 VAL 3 -2.405 12.914 24.781 23 1HG2 VAL 3 1HG2 VAL 3 0.326 10.294 26.403 24 2HG2 VAL 3 2HG2 VAL 3 -1.190 9.402 26.282 25 3HG2 VAL 3 3HG2 VAL 3 -0.439 10.067 24.831 26 H GLU 4 H GLU 4 -0.257 14.900 26.384 27 HA GLU 4 HA GLU 4 -2.307 15.978 28.227 28 1HB GLU 4 1HB GLU 4 0.157 16.795 27.005 29 2HB GLU 4 2HB GLU 4 -1.095 17.958 26.568 30 1HG GLU 4 2HG GLU 4 -0.949 18.856 28.626 31 2HG GLU 4 1HG GLU 4 -1.468 17.317 29.313 32 H TYR 5 H TYR 5 -4.372 16.378 27.527 33 HA TYR 5 HA TYR 5 -4.872 16.480 24.582 34 1HB TYR 5 2HB TYR 5 -7.179 15.920 25.248 35 2HB TYR 5 1HB TYR 5 -6.037 14.783 25.960 36 HD1 TYR 5 HD1 TYR 5 -7.867 17.968 26.698 37 HD2 TYR 5 HD2 TYR 5 -6.007 14.435 28.281 38 HE1 TYR 5 HE1 TYR 5 -8.706 18.540 28.961 39 HE2 TYR 5 HE2 TYR 5 -6.842 15.007 30.543 40 HH TYR 5 HH TYR 5 -8.883 16.425 31.441 41 H LEU 6 H LEU 6 -5.866 18.286 23.662 42 HA LEU 6 HA LEU 6 -6.629 20.542 25.475 43 1HB LEU 6 1HB LEU 6 -4.255 20.345 24.054 44 2HB LEU 6 2HB LEU 6 -5.273 21.311 22.986 45 HG LEU 6 HG LEU 6 -4.648 21.887 25.898 46 1HD1 LEU 6 1HD1 LEU 6 -3.040 22.410 23.840 47 2HD1 LEU 6 2HD1 LEU 6 -4.145 23.769 23.626 48 3HD1 LEU 6 3HD1 LEU 6 -3.261 23.580 25.141 49 1HD2 LEU 6 1HD2 LEU 6 -7.034 22.404 24.981 50 2HD2 LEU 6 2HD2 LEU 6 -6.158 23.689 25.813 51 3HD2 LEU 6 3HD2 LEU 6 -6.227 23.667 24.051 52 H ASN 7 H ASN 7 -8.658 21.226 24.918 53 HA ASN 7 HA ASN 7 -10.162 20.224 22.723 54 1HB ASN 7 1HB ASN 7 -10.972 21.276 24.862 55 2HB ASN 7 2HB ASN 7 -10.493 22.844 24.215 56 2HD2 ASN 7 2HD2 ASN 7 -12.823 23.479 24.271 57 1HD2 ASN 7 1HD2 ASN 7 -13.876 22.928 23.059 58 H TYR 8 H TYR 8 -9.808 20.648 20.575 59 HA TYR 8 HA TYR 8 -8.102 22.673 19.544 60 1HB TYR 8 1HB TYR 8 -8.575 20.904 18.103 61 2HB TYR 8 2HB TYR 8 -10.283 20.885 18.525 62 HD1 TYR 8 HD1 TYR 8 -11.787 22.724 17.670 63 HD2 TYR 8 HD2 TYR 8 -7.768 22.180 16.257 64 HE1 TYR 8 HE1 TYR 8 -12.307 24.092 15.672 65 HE2 TYR 8 HE2 TYR 8 -8.285 23.556 14.259 66 HH TYR 8 HH TYR 8 -10.711 25.592 14.006 67 H GLU 9 H GLU 9 -11.482 22.783 20.493 68 HA GLU 9 HA GLU 9 -12.214 25.185 19.076 69 1HB GLU 9 1HB GLU 9 -13.742 23.475 20.094 70 2HB GLU 9 2HB GLU 9 -13.263 24.053 21.690 71 1HG GLU 9 1HG GLU 9 -13.987 26.382 20.888 72 2HG GLU 9 2HG GLU 9 -14.761 25.555 19.537 73 H THR 10 H THR 10 -10.872 24.587 22.324 74 HA THR 10 HA THR 10 -11.047 27.239 23.344 75 HB THR 10 HB THR 10 -9.035 25.008 23.779 76 HG1 THR 10 HG1 THR 10 -11.548 25.103 24.298 77 1HG2 THR 10 1HG2 THR 10 -9.411 27.675 25.060 78 2HG2 THR 10 2HG2 THR 10 -9.018 26.311 26.107 79 3HG2 THR 10 3HG2 THR 10 -7.929 26.757 24.793 80 H LEU 11 H LEU 11 -8.699 25.720 21.176 81 HA LEU 11 HA LEU 11 -6.717 27.817 21.286 82 1HB LEU 11 1HB LEU 11 -6.041 25.711 20.453 83 2HB LEU 11 2HB LEU 11 -7.457 25.569 19.412 84 HG LEU 11 HG LEU 11 -6.611 27.361 17.971 85 1HD1 LEU 11 1HD1 LEU 11 -5.111 28.036 20.253 86 2HD1 LEU 11 2HD1 LEU 11 -3.926 27.531 19.047 87 3HD1 LEU 11 3HD1 LEU 11 -5.059 28.831 18.680 88 1HD2 LEU 11 1HD2 LEU 11 -5.869 25.008 17.580 89 2HD2 LEU 11 2HD2 LEU 11 -4.684 26.195 17.035 90 3HD2 LEU 11 3HD2 LEU 11 -4.433 25.332 18.553 91 H ASP 12 H ASP 12 -9.453 27.149 19.089 92 HA ASP 12 HA ASP 12 -8.985 29.482 17.420 93 1HB ASP 12 1HB ASP 12 -10.874 27.238 17.708 94 2HB ASP 12 2HB ASP 12 -11.612 28.711 17.079 95 H ASP 13 H ASP 13 -11.487 28.705 19.879 96 HA ASP 13 HA ASP 13 -12.920 31.091 19.930 97 1HB ASP 13 1HB ASP 13 -12.454 28.811 21.587 98 2HB ASP 13 2HB ASP 13 -12.403 30.239 22.621 99 H GLN 14 H GLN 14 -10.161 30.424 22.133 100 HA GLN 14 HA GLN 14 -9.876 33.156 22.976 101 1HB GLN 14 1HB GLN 14 -9.078 31.138 24.186 102 2HB GLN 14 2HB GLN 14 -7.887 30.863 22.914 103 1HG GLN 14 1HG GLN 14 -6.531 32.102 24.271 104 2HG GLN 14 2HG GLN 14 -7.367 33.466 23.529 105 2HE2 GLN 14 2HE2 GLN 14 -7.797 31.172 26.290 106 1HE2 GLN 14 1HE2 GLN 14 -8.477 32.326 27.331 107 H GLY 15 H GLY 15 -8.972 31.558 20.066 108 1HA GLY 15 2HA GLY 15 -7.892 33.964 18.914 109 2HA GLY 15 1HA GLY 15 -7.847 32.366 18.168 110 H TRP 16 H TRP 16 -6.359 30.934 20.028 111 HA TRP 16 HA TRP 16 -3.869 32.438 20.576 112 1HB TRP 16 1HB TRP 16 -5.257 30.039 21.483 113 2HB TRP 16 2HB TRP 16 -3.546 29.726 21.190 114 HD1 TRP 16 HD1 TRP 16 -3.014 29.574 23.785 115 HE1 TRP 16 HE1 TRP 16 -2.751 31.385 25.600 116 HE3 TRP 16 HE3 TRP 16 -5.137 33.547 21.379 117 HZ2 TRP 16 HZ2 TRP 16 -3.360 34.155 25.979 118 HZ3 TRP 16 HZ3 TRP 16 -5.282 35.757 22.488 119 HH2 TRP 16 HH2 TRP 16 -4.397 36.066 24.783 120 H ASP 17 H ASP 17 -1.826 30.856 20.085 121 HA ASP 17 HA ASP 17 -1.852 30.492 17.137 122 1HB ASP 17 1HB ASP 17 0.347 30.479 19.230 123 2HB ASP 17 2HB ASP 17 0.610 30.426 17.487 124 H MET 18 H MET 18 -0.330 28.546 16.454 125 HA MET 18 HA MET 18 -1.621 26.099 17.282 126 1HB MET 18 1HB MET 18 0.371 27.070 15.366 127 2HB MET 18 2HB MET 18 0.737 25.449 15.956 128 1HG MET 18 1HG MET 18 -2.051 26.160 15.061 129 2HG MET 18 2HG MET 18 -0.825 25.684 13.886 130 1HE MET 18 1HE MET 18 0.891 24.046 14.682 131 2HE MET 18 2HE MET 18 0.540 22.473 15.391 132 3HE MET 18 3HE MET 18 0.038 22.818 13.738 133 H ASP 19 H ASP 19 1.672 27.402 17.831 134 HA ASP 19 HA ASP 19 1.824 25.809 20.340 135 1HB ASP 19 1HB ASP 19 4.142 25.064 19.512 136 2HB ASP 19 2HB ASP 19 2.753 24.309 18.733 137 H ASP 20 H ASP 20 1.958 28.748 19.104 138 HA ASP 20 HA ASP 20 4.551 29.753 19.946 139 1HB ASP 20 1HB ASP 20 2.848 30.677 18.239 140 2HB ASP 20 2HB ASP 20 1.975 31.307 19.638 141 H ASP 21 H ASP 21 1.252 30.092 21.322 142 HA ASP 21 HA ASP 21 2.284 31.219 23.816 143 1HB ASP 21 2HB ASP 21 -0.450 30.196 22.991 144 2HB ASP 21 1HB ASP 21 -0.117 31.188 24.410 145 H ASP 22 H ASP 22 2.567 28.180 22.713 146 HA ASP 22 HA ASP 22 2.598 26.031 23.724 147 1HB ASP 22 1HB ASP 22 4.304 27.723 24.869 148 2HB ASP 22 2HB ASP 22 3.251 27.487 26.263 149 H LEU 23 H LEU 23 0.001 26.710 23.575 150 HA LEU 23 HA LEU 23 -1.679 27.237 25.660 151 1HB LEU 23 1HB LEU 23 -1.777 24.956 23.665 152 2HB LEU 23 2HB LEU 23 -3.163 25.467 24.630 153 HG LEU 23 HG LEU 23 -2.295 27.861 23.612 154 1HD1 LEU 23 1HD1 LEU 23 -0.981 25.885 22.083 155 2HD1 LEU 23 2HD1 LEU 23 -2.310 26.465 21.077 156 3HD1 LEU 23 3HD1 LEU 23 -1.119 27.603 21.707 157 1HD2 LEU 23 1HD2 LEU 23 -4.615 27.019 23.665 158 2HD2 LEU 23 2HD2 LEU 23 -4.214 27.660 22.071 159 3HD2 LEU 23 3HD2 LEU 23 -4.245 25.917 22.338 160 H PHE 24 H PHE 24 -0.436 23.908 25.104 161 HA PHE 24 HA PHE 24 -1.432 22.624 27.361 162 1HB PHE 24 1HB PHE 24 1.173 22.462 25.845 163 2HB PHE 24 2HB PHE 24 0.853 21.372 27.193 164 HD1 PHE 24 HD1 PHE 24 -1.646 20.333 27.131 165 HD2 PHE 24 HD2 PHE 24 0.583 21.710 23.726 166 HE1 PHE 24 HE1 PHE 24 -3.027 18.902 25.648 167 HE2 PHE 24 HE2 PHE 24 -0.798 20.280 22.244 168 HZ PHE 24 HZ PHE 24 -2.602 18.876 23.204 169 H GLU 25 H GLU 25 1.068 25.044 27.167 170 HA GLU 25 HA GLU 25 1.855 24.634 30.012 171 1HB GLU 25 1HB GLU 25 3.573 24.903 28.259 172 2HB GLU 25 2HB GLU 25 2.878 26.461 27.812 173 1HG GLU 25 1HG GLU 25 3.272 27.190 30.221 174 2HG GLU 25 2HG GLU 25 4.217 25.715 30.424 175 H LYS 26 H LYS 26 0.863 27.359 27.894 176 HA LYS 26 HA LYS 26 0.354 29.186 30.053 177 1HB LYS 26 1HB LYS 26 0.391 29.133 27.235 178 2HB LYS 26 2HB LYS 26 -1.238 29.646 27.672 179 1HG LYS 26 1HG LYS 26 0.075 31.645 27.561 180 2HG LYS 26 2HG LYS 26 -0.141 31.302 29.277 181 1HD LYS 26 1HD LYS 26 2.112 29.921 28.909 182 2HD LYS 26 2HD LYS 26 2.315 31.071 27.587 183 1HE LYS 26 1HE LYS 26 1.503 32.715 29.651 184 2HE LYS 26 2HE LYS 26 2.506 31.518 30.492 185 1HZ LYS 26 1HZ LYS 26 4.121 31.815 28.588 186 2HZ LYS 26 2HZ LYS 26 3.225 33.188 28.145 187 3HZ LYS 26 3HZ LYS 26 3.998 33.129 29.656 188 H ALA 27 H ALA 27 -1.589 26.707 28.497 189 HA ALA 27 HA ALA 27 -4.198 27.520 29.256 190 1HB ALA 27 1HB ALA 27 -3.570 25.656 27.727 191 2HB ALA 27 3HB ALA 27 -2.993 24.736 29.116 192 3HB ALA 27 2HB ALA 27 -4.705 25.129 28.969 193 H ALA 28 H ALA 28 -1.597 26.089 31.136 194 HA ALA 28 HA ALA 28 -3.201 25.249 33.394 195 1HB ALA 28 1HB ALA 28 -0.492 25.230 32.490 196 2HB ALA 28 3HB ALA 28 -0.508 25.936 34.107 197 3HB ALA 28 2HB ALA 28 -1.187 24.330 33.840 198 H ASP 29 H ASP 29 -1.821 28.300 32.371 199 HA ASP 29 HA ASP 29 -2.033 29.584 34.996 200 1HB ASP 29 1HB ASP 29 -0.572 30.001 32.760 201 2HB ASP 29 2HB ASP 29 -1.883 31.142 32.463 202 H ALA 30 H ALA 30 -4.097 29.094 32.219 203 HA ALA 30 HA ALA 30 -5.963 31.253 32.927 204 1HB ALA 30 1HB ALA 30 -5.608 29.170 30.826 205 2HB ALA 30 3HB ALA 30 -7.248 29.766 31.087 206 3HB ALA 30 2HB ALA 30 -5.961 30.889 30.649 207 H GLY 31 H GLY 31 -6.111 27.686 32.831 208 1HA GLY 31 2HA GLY 31 -7.995 27.775 35.132 209 2HA GLY 31 1HA GLY 31 -7.082 26.357 34.618 210 H LEU 32 H LEU 32 -7.645 25.857 32.118 211 HA LEU 32 HA LEU 32 -10.437 26.354 31.381 212 1HB LEU 32 1HB LEU 32 -8.139 24.715 30.293 213 2HB LEU 32 2HB LEU 32 -9.730 24.717 29.531 214 HG LEU 32 HG LEU 32 -8.678 27.401 30.160 215 1HD1 LEU 32 1HD1 LEU 32 -7.328 25.612 28.117 216 2HD1 LEU 32 2HD1 LEU 32 -7.137 27.365 28.182 217 3HD1 LEU 32 3HD1 LEU 32 -6.571 26.365 29.521 218 1HD2 LEU 32 1HD2 LEU 32 -10.157 25.973 27.986 219 2HD2 LEU 32 2HD2 LEU 32 -10.567 27.470 28.823 220 3HD2 LEU 32 3HD2 LEU 32 -9.321 27.471 27.575 221 H ASP 33 H ASP 33 -11.806 24.354 30.771 222 HA ASP 33 HA ASP 33 -12.152 22.688 33.128 223 1HB ASP 33 1HB ASP 33 -13.363 22.826 30.357 224 2HB ASP 33 2HB ASP 33 -13.906 21.658 31.560 225 H GLY 34 H GLY 34 -11.839 20.394 33.245 226 1HA GLY 34 2HA GLY 34 -10.614 18.424 32.885 227 2HA GLY 34 1HA GLY 34 -9.512 19.386 31.899 228 H GLU 35 H GLU 35 -12.940 19.239 31.180 229 HA GLU 35 HA GLU 35 -12.898 17.044 29.333 230 1HB GLU 35 1HB GLU 35 -14.922 18.010 30.343 231 2HB GLU 35 2HB GLU 35 -14.627 19.536 29.506 232 1HG GLU 35 1HG GLU 35 -15.575 18.760 27.611 233 2HG GLU 35 2HG GLU 35 -14.590 17.299 27.650 234 H ASP 36 H ASP 36 -11.470 20.128 29.131 235 HA ASP 36 HA ASP 36 -11.309 19.916 26.137 236 1HB ASP 36 1HB ASP 36 -11.580 22.237 28.050 237 2HB ASP 36 2HB ASP 36 -10.947 22.479 26.422 238 H TYR 37 H TYR 37 -9.602 21.235 29.006 239 HA TYR 37 HA TYR 37 -7.019 20.512 27.657 240 1HB TYR 37 1HB TYR 37 -7.153 22.871 27.627 241 2HB TYR 37 2HB TYR 37 -7.935 22.935 29.206 242 HD1 TYR 37 HD1 TYR 37 -4.781 21.462 27.779 243 HD2 TYR 37 HD2 TYR 37 -6.598 23.768 30.918 244 HE1 TYR 37 HE1 TYR 37 -2.570 21.722 28.870 245 HE2 TYR 37 HE2 TYR 37 -4.385 24.025 32.008 246 HH TYR 37 HH TYR 37 -1.435 22.708 30.512 247 H GLY 38 H GLY 38 -5.576 19.350 28.934 248 1HA GLY 38 2HA GLY 38 -6.556 18.267 31.458 249 2HA GLY 38 1HA GLY 38 -5.198 19.371 31.669 250 H THR 39 H THR 39 -4.081 17.386 32.472 251 HA THR 39 HA THR 39 -2.539 16.143 30.302 252 HB THR 39 HB THR 39 -2.304 15.314 33.160 253 HG1 THR 39 HG1 THR 39 -1.201 17.358 33.522 254 1HG2 THR 39 1HG2 THR 39 -0.587 15.780 30.788 255 2HG2 THR 39 2HG2 THR 39 0.133 16.176 32.349 256 3HG2 THR 39 3HG2 THR 39 -0.466 14.546 32.043 257 H MET 40 H MET 40 -3.121 14.217 29.382 258 HA MET 40 HA MET 40 -5.204 12.554 30.690 259 1HB MET 40 1HB MET 40 -4.533 13.334 28.065 260 2HB MET 40 2HB MET 40 -4.186 11.607 28.145 261 1HG MET 40 1HG MET 40 -6.435 11.153 28.972 262 2HG MET 40 2HG MET 40 -6.789 12.881 29.041 263 1HE MET 40 1HE MET 40 -6.338 9.782 27.336 264 2HE MET 40 2HE MET 40 -6.895 9.961 25.667 265 3HE MET 40 3HE MET 40 -5.233 10.361 26.091 266 H GLU 41 H GLU 41 -4.640 10.712 31.787 267 HA GLU 41 HA GLU 41 -1.861 9.651 31.412 268 1HB GLU 41 1HB GLU 41 -3.808 9.763 33.720 269 2HB GLU 41 2HB GLU 41 -2.405 8.696 33.751 270 1HG GLU 41 1HG GLU 41 -0.890 10.550 33.539 271 2HG GLU 41 2HG GLU 41 -2.211 11.666 33.192 272 H VAL 42 H VAL 42 -1.968 7.890 30.052 273 HA VAL 42 HA VAL 42 -4.214 5.942 30.474 274 HB VAL 42 HB VAL 42 -2.577 6.604 28.004 275 1HG1 VAL 42 1HG1 VAL 42 -3.364 4.231 28.149 276 2HG1 VAL 42 2HG1 VAL 42 -5.016 4.827 28.311 277 3HG1 VAL 42 3HG1 VAL 42 -4.114 5.123 26.825 278 1HG2 VAL 42 1HG2 VAL 42 -4.334 8.282 28.918 279 2HG2 VAL 42 2HG2 VAL 42 -4.450 7.811 27.222 280 3HG2 VAL 42 3HG2 VAL 42 -5.527 7.083 28.414 281 H ALA 43 H ALA 43 -3.408 4.197 31.586 282 HA ALA 43 HA ALA 43 -0.734 3.489 32.013 283 1HB ALA 43 1HB ALA 43 -3.305 1.909 31.823 284 2HB ALA 43 3HB ALA 43 -1.790 1.155 32.323 285 3HB ALA 43 2HB ALA 43 -2.477 2.470 33.275 286 H GLU 44 H GLU 44 0.677 1.959 30.976 287 HA GLU 44 HA GLU 44 0.596 1.955 28.088 288 1HB GLU 44 1HB GLU 44 2.412 1.468 30.179 289 2HB GLU 44 2HB GLU 44 2.306 -0.059 29.303 290 1HG GLU 44 1HG GLU 44 2.931 0.969 27.241 291 2HG GLU 44 2HG GLU 44 2.693 2.590 27.895 292 H GLY 45 H GLY 45 -0.802 0.685 26.941 293 1HA GLY 45 2HA GLY 45 -1.296 -2.090 27.944 294 2HA GLY 45 1HA GLY 45 -1.255 -1.661 26.233 295 H GLU 46 H GLU 46 -2.724 0.797 27.998 296 HA GLU 46 HA GLU 46 -5.453 -0.389 27.693 297 1HB GLU 46 1HB GLU 46 -4.361 0.701 29.846 298 2HB GLU 46 2HB GLU 46 -4.827 2.211 29.062 299 1HG GLU 46 1HG GLU 46 -6.963 1.909 29.708 300 2HG GLU 46 2HG GLU 46 -7.013 0.356 28.873 301 H TYR 47 H TYR 47 -6.584 0.268 25.908 302 HA TYR 47 HA TYR 47 -5.763 2.039 23.923 303 1HB TYR 47 1HB TYR 47 -8.553 1.427 24.949 304 2HB TYR 47 2HB TYR 47 -8.205 2.134 23.371 305 HD1 TYR 47 HD1 TYR 47 -5.949 0.724 22.334 306 HD2 TYR 47 HD2 TYR 47 -9.179 -0.805 24.717 307 HE1 TYR 47 HE1 TYR 47 -5.556 -1.544 21.410 308 HE2 TYR 47 HE2 TYR 47 -8.787 -3.074 23.794 309 HH TYR 47 HH TYR 47 -6.286 -3.643 21.319 310 H ILE 48 H ILE 48 -5.393 4.207 23.947 311 HA ILE 48 HA ILE 48 -5.637 5.965 26.080 312 HB ILE 48 HB ILE 48 -5.849 6.365 23.086 313 1HG1 ILE 48 1HG1 ILE 48 -3.514 7.282 24.659 314 2HG1 ILE 48 2HG1 ILE 48 -3.749 5.535 24.614 315 1HG2 ILE 48 1HG2 ILE 48 -5.721 8.378 25.333 316 2HG2 ILE 48 2HG2 ILE 48 -5.110 8.758 23.724 317 3HG2 ILE 48 3HG2 ILE 48 -6.811 8.351 23.947 318 1HD1 ILE 48 1HD1 ILE 48 -4.199 6.589 21.984 319 2HD1 ILE 48 2HD1 ILE 48 -2.656 7.201 22.582 320 3HD1 ILE 48 3HD1 ILE 48 -2.949 5.463 22.513 321 H LEU 49 H LEU 49 -7.916 6.179 23.321 322 HA LEU 49 HA LEU 49 -9.871 7.785 24.411 323 1HB LEU 49 1HB LEU 49 -9.981 6.969 22.151 324 2HB LEU 49 2HB LEU 49 -10.104 5.296 22.699 325 HG LEU 49 HG LEU 49 -12.261 5.980 23.877 326 1HD1 LEU 49 1HD1 LEU 49 -11.786 8.430 23.806 327 2HD1 LEU 49 2HD1 LEU 49 -11.977 8.388 22.053 328 3HD1 LEU 49 3HD1 LEU 49 -13.350 8.025 23.099 329 1HD2 LEU 49 1HD2 LEU 49 -12.103 4.773 21.656 330 2HD2 LEU 49 2HD2 LEU 49 -13.582 5.708 21.880 331 3HD2 LEU 49 3HD2 LEU 49 -12.283 6.342 20.869 332 H GLU 50 H GLU 50 -9.438 4.310 25.073 333 HA GLU 50 HA GLU 50 -11.853 3.960 26.594 334 1HB GLU 50 1HB GLU 50 -10.087 2.306 25.548 335 2HB GLU 50 2HB GLU 50 -9.299 2.461 27.119 336 1HG GLU 50 1HG GLU 50 -10.745 0.931 27.921 337 2HG GLU 50 2HG GLU 50 -12.040 2.103 27.675 338 H ALA 51 H ALA 51 -8.485 4.652 27.589 339 HA ALA 51 HA ALA 51 -9.089 4.827 30.409 340 1HB ALA 51 1HB ALA 51 -6.805 6.380 29.692 341 2HB ALA 51 3HB ALA 51 -6.859 4.988 28.611 342 3HB ALA 51 2HB ALA 51 -6.832 4.748 30.358 343 H ALA 52 H ALA 52 -9.009 7.147 27.753 344 HA ALA 52 HA ALA 52 -9.323 9.489 29.464 345 1HB ALA 52 1HB ALA 52 -9.076 8.791 26.610 346 2HB ALA 52 3HB ALA 52 -10.059 10.222 26.923 347 3HB ALA 52 2HB ALA 52 -8.391 10.156 27.493 348 H GLU 53 H GLU 53 -11.461 7.672 27.278 349 HA GLU 53 HA GLU 53 -13.835 9.181 27.728 350 1HB GLU 53 1HB GLU 53 -13.355 7.441 25.956 351 2HB GLU 53 2HB GLU 53 -13.567 6.206 27.197 352 1HG GLU 53 1HG GLU 53 -15.686 6.421 26.095 353 2HG GLU 53 2HG GLU 53 -15.856 7.235 27.650 354 H ALA 54 H ALA 54 -12.272 6.649 29.597 355 HA ALA 54 HA ALA 54 -14.492 6.011 31.325 356 1HB ALA 54 1HB ALA 54 -11.610 5.499 31.059 357 2HB ALA 54 3HB ALA 54 -12.157 5.531 32.736 358 3HB ALA 54 2HB ALA 54 -12.894 4.412 31.587 359 H GLN 55 H GLN 55 -12.276 8.682 31.169 360 HA GLN 55 HA GLN 55 -12.833 9.503 33.970 361 1HB GLN 55 1HB GLN 55 -11.071 10.578 31.746 362 2HB GLN 55 2HB GLN 55 -11.144 11.266 33.369 363 1HG GLN 55 1HG GLN 55 -10.454 9.082 34.314 364 2HG GLN 55 2HG GLN 55 -10.348 8.420 32.682 365 2HE2 GLN 55 2HE2 GLN 55 -8.815 10.651 34.970 366 1HE2 GLN 55 1HE2 GLN 55 -7.394 10.876 34.070 367 H GLY 56 H GLY 56 -13.553 10.438 30.629 368 1HA GLY 56 2HA GLY 56 -15.046 12.816 31.594 369 2HA GLY 56 1HA GLY 56 -15.956 11.562 30.752 370 H TYR 57 H TYR 57 -12.762 11.796 29.609 371 HA TYR 57 HA TYR 57 -13.003 13.991 27.765 372 1HB TYR 57 1HB TYR 57 -11.346 11.469 27.483 373 2HB TYR 57 2HB TYR 57 -10.971 13.069 26.845 374 HD1 TYR 57 HD1 TYR 57 -12.186 14.303 29.597 375 HD2 TYR 57 HD2 TYR 57 -9.076 11.522 28.580 376 HE1 TYR 57 HE1 TYR 57 -10.998 14.859 31.702 377 HE2 TYR 57 HE2 TYR 57 -7.890 12.075 30.681 378 HH TYR 57 HH TYR 57 -7.963 14.381 32.279 379 H ASP 58 H ASP 58 -14.604 14.023 26.219 380 HA ASP 58 HA ASP 58 -15.548 11.492 24.998 381 1HB ASP 58 1HB ASP 58 -16.807 13.722 25.840 382 2HB ASP 58 2HB ASP 58 -16.528 14.180 24.159 383 H TRP 59 H TRP 59 -15.342 11.059 22.751 384 HA TRP 59 HA TRP 59 -13.673 12.962 21.158 385 1HB TRP 59 1HB TRP 59 -13.276 9.967 21.460 386 2HB TRP 59 2HB TRP 59 -12.304 11.033 20.445 387 HD1 TRP 59 HD1 TRP 59 -13.253 10.567 24.156 388 HE1 TRP 59 HE1 TRP 59 -11.306 11.436 25.601 389 HE3 TRP 59 HE3 TRP 59 -10.179 12.381 20.504 390 HZ2 TRP 59 HZ2 TRP 59 -8.778 12.724 25.259 391 HZ3 TRP 59 HZ3 TRP 59 -8.008 13.422 21.092 392 HH2 TRP 59 HH2 TRP 59 -7.305 13.595 23.465 393 HA PRO 60 HA PRO 60 -16.873 11.992 18.251 394 1HB PRO 60 1HB PRO 60 -15.819 13.365 16.133 395 2HB PRO 60 2HB PRO 60 -16.633 14.162 17.492 396 1HG PRO 60 1HG PRO 60 -13.727 13.871 16.924 397 2HG PRO 60 2HG PRO 60 -14.606 15.232 17.631 398 1HD PRO 60 1HD PRO 60 -13.133 13.416 19.075 399 2HD PRO 60 2HD PRO 60 -14.472 14.374 19.740 400 H PHE 61 H PHE 61 -16.134 9.674 18.221 401 HA PHE 61 HA PHE 61 -14.480 9.074 15.789 402 1HB PHE 61 1HB PHE 61 -13.498 7.291 16.994 403 2HB PHE 61 2HB PHE 61 -13.620 8.576 18.195 404 HD1 PHE 61 HD1 PHE 61 -15.510 8.554 19.853 405 HD2 PHE 61 HD2 PHE 61 -14.738 5.258 17.211 406 HE1 PHE 61 HE1 PHE 61 -16.911 7.086 21.278 407 HE2 PHE 61 HE2 PHE 61 -16.138 3.788 18.636 408 HZ PHE 61 HZ PHE 61 -17.225 4.702 20.669 409 H SER 62 H SER 62 -15.237 7.356 14.454 410 HA SER 62 HA SER 62 -17.984 6.332 15.095 411 1HB SER 62 1HB SER 62 -17.801 8.181 13.360 412 2HB SER 62 2HB SER 62 -16.877 7.054 12.366 413 HG SER 62 HG SER 62 -18.785 5.607 12.792 414 H CYS 63 H CYS 63 -15.008 5.298 15.150 415 HA CYS 63 HA CYS 63 -14.599 3.276 13.232 416 1HB CYS 63 1HB CYS 63 -13.621 4.107 15.807 417 2HB CYS 63 2HB CYS 63 -13.759 2.349 15.792 418 H ARG 64 H ARG 64 -16.092 1.722 12.684 419 HA ARG 64 HA ARG 64 -17.435 0.236 14.914 420 1HB ARG 64 1HB ARG 64 -18.544 1.942 12.858 421 2HB ARG 64 2HB ARG 64 -19.154 0.298 12.668 422 1HG ARG 64 1HG ARG 64 -19.619 0.346 15.190 423 2HG ARG 64 2HG ARG 64 -19.339 2.084 15.100 424 1HD ARG 64 1HD ARG 64 -21.082 2.100 13.198 425 2HD ARG 64 2HD ARG 64 -21.515 0.470 13.751 426 HE ARG 64 HE ARG 64 -22.023 1.451 15.970 427 1HH1 ARG 64 1HH1 ARG 64 -20.309 3.962 15.056 428 2HH1 ARG 64 2HH1 ARG 64 -21.562 5.159 15.066 429 1HH2 ARG 64 1HH2 ARG 64 -24.138 2.846 15.262 430 2HH2 ARG 64 2HH2 ARG 64 -23.727 4.527 15.185 431 H ALA 65 H ALA 65 -16.334 0.244 11.536 432 HA ALA 65 HA ALA 65 -15.550 -2.565 11.701 433 1HB ALA 65 1HB ALA 65 -17.914 -1.720 9.991 434 2HB ALA 65 2HB ALA 65 -17.195 -3.330 10.012 435 3HB ALA 65 3HB ALA 65 -18.007 -2.708 11.448 436 H GLY 66 H GLY 66 -16.239 0.259 9.662 437 1HA GLY 66 2HA GLY 66 -15.171 1.047 7.721 438 2HA GLY 66 1HA GLY 66 -14.606 -0.599 7.440 439 H ALA 67 H ALA 67 -12.498 0.258 6.859 440 HA ALA 67 HA ALA 67 -10.576 0.263 8.964 441 1HB ALA 67 1HB ALA 67 -10.699 0.342 6.134 442 2HB ALA 67 3HB ALA 67 -9.269 0.072 7.131 443 3HB ALA 67 2HB ALA 67 -9.695 1.706 6.623 444 H CYS 68 H CYS 68 -9.176 2.117 9.604 445 HA CYS 68 HA CYS 68 -10.693 4.707 9.596 446 1HB CYS 68 1HB CYS 68 -10.282 3.180 11.722 447 2HB CYS 68 2HB CYS 68 -8.691 3.937 11.693 448 H ALA 69 H ALA 69 -9.639 6.195 8.344 449 HA ALA 69 HA ALA 69 -6.693 5.961 7.958 450 1HB ALA 69 1HB ALA 69 -9.028 6.839 6.449 451 2HB ALA 69 3HB ALA 69 -7.421 6.416 5.859 452 3HB ALA 69 2HB ALA 69 -7.751 8.055 6.418 453 H ASN 70 H ASN 70 -9.131 7.919 9.495 454 HA ASN 70 HA ASN 70 -7.030 9.574 10.763 455 1HB ASN 70 1HB ASN 70 -8.424 11.633 10.054 456 2HB ASN 70 2HB ASN 70 -7.440 10.868 8.806 457 2HD2 ASN 70 2HD2 ASN 70 -8.531 9.870 7.033 458 1HD2 ASN 70 1HD2 ASN 70 -10.220 9.877 6.859 459 H CYS 71 H CYS 71 -7.639 9.065 12.866 460 HA CYS 71 HA CYS 71 -10.344 8.562 13.699 461 1HB CYS 71 1HB CYS 71 -8.255 7.750 14.787 462 2HB CYS 71 2HB CYS 71 -7.903 9.399 15.298 463 H ALA 72 H ALA 72 -8.848 10.906 15.757 464 HA ALA 72 HA ALA 72 -10.111 13.262 14.612 465 1HB ALA 72 1HB ALA 72 -11.582 11.409 16.345 466 2HB ALA 72 2HB ALA 72 -11.614 13.069 16.939 467 3HB ALA 72 3HB ALA 72 -12.197 12.702 15.315 468 H SER 73 H SER 73 -7.598 12.259 16.086 469 HA SER 73 HA SER 73 -7.573 14.334 18.259 470 1HB SER 73 1HB SER 73 -6.031 12.885 19.405 471 2HB SER 73 2HB SER 73 -7.344 11.856 18.828 472 HG SER 73 HG SER 73 -5.547 10.828 18.183 473 H ILE 74 H ILE 74 -6.297 16.075 17.755 474 HA ILE 74 HA ILE 74 -4.406 15.927 15.497 475 HB ILE 74 HB ILE 74 -5.085 18.220 17.360 476 1HG1 ILE 74 2HG1 ILE 74 -7.198 17.479 16.566 477 2HG1 ILE 74 1HG1 ILE 74 -6.743 18.791 15.479 478 1HG2 ILE 74 1HG2 ILE 74 -3.122 18.356 15.714 479 2HG2 ILE 74 2HG2 ILE 74 -4.334 18.303 14.435 480 3HG2 ILE 74 3HG2 ILE 74 -4.337 19.630 15.596 481 1HD1 ILE 74 1HD1 ILE 74 -5.683 16.898 14.028 482 2HD1 ILE 74 2HD1 ILE 74 -6.715 15.822 14.968 483 3HD1 ILE 74 3HD1 ILE 74 -7.433 17.105 13.994 484 H VAL 75 H VAL 75 -2.909 14.412 16.692 485 HA VAL 75 HA VAL 75 -1.590 14.907 19.117 486 HB VAL 75 HB VAL 75 -1.412 12.931 17.552 487 1HG1 VAL 75 1HG1 VAL 75 -0.782 14.737 15.653 488 2HG1 VAL 75 2HG1 VAL 75 0.845 14.276 16.153 489 3HG1 VAL 75 3HG1 VAL 75 -0.276 13.050 15.559 490 1HG2 VAL 75 1HG2 VAL 75 0.337 13.802 19.433 491 2HG2 VAL 75 2HG2 VAL 75 0.549 12.294 18.543 492 3HG2 VAL 75 3HG2 VAL 75 1.401 13.750 18.026 493 H LYS 76 H LYS 76 -0.506 16.744 19.762 494 HA LYS 76 HA LYS 76 0.573 18.607 17.733 495 1HB LYS 76 1HB LYS 76 -0.745 18.943 20.061 496 2HB LYS 76 2HB LYS 76 0.910 19.013 20.667 497 1HG LYS 76 1HG LYS 76 1.008 20.582 18.380 498 2HG LYS 76 2HG LYS 76 -0.571 20.968 19.065 499 1HD LYS 76 1HD LYS 76 1.272 22.428 19.941 500 2HD LYS 76 2HD LYS 76 0.438 21.527 21.206 501 1HE LYS 76 1HE LYS 76 2.257 20.122 21.584 502 2HE LYS 76 2HE LYS 76 2.861 20.292 19.925 503 1HZ LYS 76 1HZ LYS 76 3.175 22.726 20.508 504 2HZ LYS 76 2HZ LYS 76 2.964 22.274 22.131 505 3HZ LYS 76 3HZ LYS 76 4.260 21.640 21.234 506 H GLU 77 H GLU 77 1.723 15.937 19.464 507 HA GLU 77 HA GLU 77 4.393 16.103 18.550 508 1HB GLU 77 1HB GLU 77 3.721 17.880 20.731 509 2HB GLU 77 2HB GLU 77 4.940 16.721 21.260 510 1HG GLU 77 1HG GLU 77 5.483 17.735 18.575 511 2HG GLU 77 2HG GLU 77 5.412 19.029 19.771 512 H GLY 78 H GLY 78 5.733 14.388 19.476 513 1HA GLY 78 2HA GLY 78 4.393 12.635 21.470 514 2HA GLY 78 1HA GLY 78 6.094 12.543 21.009 515 H GLU 79 H GLU 79 3.918 10.450 20.981 516 HA GLU 79 HA GLU 79 3.294 9.887 18.204 517 1HB GLU 79 1HB GLU 79 5.711 9.597 18.119 518 2HB GLU 79 2HB GLU 79 5.666 8.536 19.528 519 1HG GLU 79 1HG GLU 79 4.221 6.958 18.236 520 2HG GLU 79 2HG GLU 79 4.407 7.993 16.821 521 H ILE 80 H ILE 80 1.622 8.437 18.216 522 HA ILE 80 HA ILE 80 1.144 6.866 20.719 523 HB ILE 80 HB ILE 80 -0.649 7.856 18.479 524 1HG1 ILE 80 1HG1 ILE 80 -0.898 8.543 21.392 525 2HG1 ILE 80 2HG1 ILE 80 0.304 9.377 20.405 526 1HG2 ILE 80 1HG2 ILE 80 -1.157 6.020 20.813 527 2HG2 ILE 80 2HG2 ILE 80 -2.452 7.031 20.170 528 3HG2 ILE 80 3HG2 ILE 80 -1.667 5.838 19.134 529 1HD1 ILE 80 1HD1 ILE 80 -2.101 9.308 18.894 530 2HD1 ILE 80 2HD1 ILE 80 -2.536 9.819 20.524 531 3HD1 ILE 80 3HD1 ILE 80 -1.321 10.718 19.613 532 H ASP 81 H ASP 81 0.628 4.616 20.508 533 HA ASP 81 HA ASP 81 1.503 3.406 17.916 534 1HB ASP 81 1HB ASP 81 2.240 3.011 20.567 535 2HB ASP 81 2HB ASP 81 1.158 1.656 20.240 536 H MET 82 H MET 82 0.347 1.234 17.472 537 HA MET 82 HA MET 82 -2.381 0.922 18.486 538 1HB MET 82 1HB MET 82 -3.498 1.579 16.442 539 2HB MET 82 2HB MET 82 -2.425 2.901 16.903 540 1HG MET 82 1HG MET 82 -0.676 1.755 15.384 541 2HG MET 82 2HG MET 82 -2.036 0.842 14.730 542 1HE MET 82 1HE MET 82 0.095 3.508 14.822 543 2HE MET 82 2HE MET 82 -0.093 3.545 13.064 544 3HE MET 82 3HE MET 82 -0.573 4.935 14.034 545 H ASP 83 H ASP 83 -3.498 -0.593 16.520 546 HA ASP 83 HA ASP 83 -1.751 -2.972 16.478 547 1HB ASP 83 1HB ASP 83 -4.618 -2.400 15.667 548 2HB ASP 83 2HB ASP 83 -3.883 -4.002 15.600 549 H MET 84 H MET 84 -0.559 -3.533 14.698 550 HA MET 84 HA MET 84 -0.433 -1.945 12.322 551 1HB MET 84 1HB MET 84 0.937 -4.056 13.560 552 2HB MET 84 2HB MET 84 0.412 -4.719 12.012 553 1HG MET 84 2HG MET 84 2.510 -3.704 11.553 554 2HG MET 84 1HG MET 84 1.317 -2.542 10.974 555 1HE MET 84 1HE MET 84 3.570 -1.131 10.987 556 2HE MET 84 2HE MET 84 4.354 -0.506 12.437 557 3HE MET 84 3HE MET 84 4.538 -2.207 11.991 558 H GLN 85 H GLN 85 -2.712 -1.825 11.625 559 HA GLN 85 HA GLN 85 -3.401 -3.903 9.696 560 1HB GLN 85 1HB GLN 85 -4.019 -4.839 11.965 561 2HB GLN 85 2HB GLN 85 -5.178 -3.519 12.125 562 1HG GLN 85 1HG GLN 85 -6.438 -4.281 10.231 563 2HG GLN 85 2HG GLN 85 -5.175 -5.424 9.772 564 2HE2 GLN 85 2HE2 GLN 85 -5.297 -7.513 10.675 565 1HE2 GLN 85 1HE2 GLN 85 -6.378 -7.959 11.905 566 H GLN 86 H GLN 86 -3.029 -0.986 9.715 567 HA GLN 86 HA GLN 86 -5.615 -0.233 8.475 568 1HB GLN 86 1HB GLN 86 -5.112 0.314 11.130 569 2HB GLN 86 2HB GLN 86 -4.571 1.795 10.340 570 1HG GLN 86 1HG GLN 86 -6.983 1.891 10.938 571 2HG GLN 86 2HG GLN 86 -6.733 2.001 9.196 572 2HE2 GLN 86 2HE2 GLN 86 -7.917 -0.098 11.790 573 1HE2 GLN 86 1HE2 GLN 86 -8.640 -1.248 10.772 574 H ILE 87 H ILE 87 -5.369 2.034 7.463 575 HA ILE 87 HA ILE 87 -2.633 2.252 6.290 576 HB ILE 87 HB ILE 87 -5.316 3.408 5.461 577 1HG1 ILE 87 2HG1 ILE 87 -4.411 1.465 3.630 578 2HG1 ILE 87 1HG1 ILE 87 -4.178 0.756 5.228 579 1HG2 ILE 87 1HG2 ILE 87 -3.044 4.475 4.708 580 2HG2 ILE 87 2HG2 ILE 87 -2.913 3.041 3.689 581 3HG2 ILE 87 3HG2 ILE 87 -4.277 4.141 3.493 582 1HD1 ILE 87 1HD1 ILE 87 -6.601 1.700 5.671 583 2HD1 ILE 87 2HD1 ILE 87 -6.717 1.667 3.911 584 3HD1 ILE 87 3HD1 ILE 87 -6.396 0.180 4.802 585 H LEU 88 H LEU 88 -1.381 4.039 6.739 586 HA LEU 88 HA LEU 88 -2.703 6.428 7.978 587 1HB LEU 88 1HB LEU 88 -0.663 4.558 9.012 588 2HB LEU 88 2HB LEU 88 -0.260 6.261 9.220 589 HG LEU 88 HG LEU 88 -3.043 5.819 9.865 590 1HD1 LEU 88 1HD1 LEU 88 -1.163 3.749 10.722 591 2HD1 LEU 88 2HD1 LEU 88 -1.947 4.551 12.085 592 3HD1 LEU 88 3HD1 LEU 88 -2.923 3.779 10.834 593 1HD2 LEU 88 1HD2 LEU 88 -0.750 7.275 10.768 594 2HD2 LEU 88 2HD2 LEU 88 -2.440 7.524 11.206 595 3HD2 LEU 88 3HD2 LEU 88 -1.438 6.420 12.149 596 H SER 89 H SER 89 -1.879 8.389 7.219 597 HA SER 89 HA SER 89 0.423 8.221 5.299 598 1HB SER 89 1HB SER 89 -0.815 10.396 4.472 599 2HB SER 89 2HB SER 89 -1.472 8.813 4.055 600 HG SER 89 HG SER 89 -3.160 9.262 5.189 601 H ASP 90 H ASP 90 2.215 9.378 5.917 602 HA ASP 90 HA ASP 90 2.500 10.739 8.363 603 1HB ASP 90 1HB ASP 90 4.611 11.398 7.474 604 2HB ASP 90 2HB ASP 90 4.225 9.897 6.633 605 H GLU 91 H GLU 91 1.722 12.082 5.152 606 HA GLU 91 HA GLU 91 1.696 14.830 5.809 607 1HB GLU 91 1HB GLU 91 1.157 13.277 3.630 608 2HB GLU 91 2HB GLU 91 -0.470 13.808 4.055 609 1HG GLU 91 1HG GLU 91 0.362 16.166 4.098 610 2HG GLU 91 2HG GLU 91 1.934 15.589 3.546 611 H GLU 92 H GLU 92 -0.563 12.273 6.598 612 HA GLU 92 HA GLU 92 -2.781 13.981 7.370 613 1HB GLU 92 1HB GLU 92 -2.138 11.216 7.093 614 2HB GLU 92 2HB GLU 92 -2.720 11.453 8.741 615 1HG GLU 92 1HG GLU 92 -4.779 12.395 7.977 616 2HG GLU 92 2HG GLU 92 -4.170 12.567 6.331 617 H VAL 93 H VAL 93 -0.141 12.356 9.141 618 HA VAL 93 HA VAL 93 -0.991 13.436 11.722 619 HB VAL 93 HB VAL 93 0.273 11.234 11.063 620 1HG1 VAL 93 1HG1 VAL 93 2.535 13.247 11.223 621 2HG1 VAL 93 2HG1 VAL 93 2.759 11.503 11.343 622 3HG1 VAL 93 3HG1 VAL 93 2.128 12.209 9.857 623 1HG2 VAL 93 1HG2 VAL 93 1.103 12.972 13.406 624 2HG2 VAL 93 2HG2 VAL 93 -0.248 11.838 13.366 625 3HG2 VAL 93 3HG2 VAL 93 1.409 11.239 13.289 626 H GLU 94 H GLU 94 0.635 14.743 9.066 627 HA GLU 94 HA GLU 94 2.275 16.598 10.741 628 1HB GLU 94 1HB GLU 94 2.231 15.762 7.837 629 2HB GLU 94 2HB GLU 94 3.165 17.156 8.379 630 1HG GLU 94 1HG GLU 94 4.561 15.833 9.752 631 2HG GLU 94 2HG GLU 94 3.435 14.477 9.739 632 H GLU 95 H GLU 95 -0.047 16.648 8.009 633 HA GLU 95 HA GLU 95 -0.413 19.553 8.238 634 1HB GLU 95 1HB GLU 95 -1.217 17.303 6.485 635 2HB GLU 95 2HB GLU 95 -2.371 18.632 6.573 636 1HG GLU 95 1HG GLU 95 0.031 19.963 6.342 637 2HG GLU 95 2HG GLU 95 0.295 18.542 5.332 638 H LYS 96 H LYS 96 -2.220 16.612 9.084 639 HA LYS 96 HA LYS 96 -4.304 18.319 10.391 640 1HB LYS 96 1HB LYS 96 -4.228 15.483 9.332 641 2HB LYS 96 2HB LYS 96 -5.566 16.091 10.307 642 1HG LYS 96 1HG LYS 96 -6.446 16.818 8.349 643 2HG LYS 96 2HG LYS 96 -5.227 18.090 8.423 644 1HD LYS 96 2HD LYS 96 -4.823 17.163 6.313 645 2HD LYS 96 1HD LYS 96 -3.671 16.284 7.320 646 1HE LYS 96 2HE LYS 96 -4.647 14.368 6.582 647 2HE LYS 96 1HE LYS 96 -6.089 14.833 7.505 648 1HZ LYS 96 1HZ LYS 96 -6.323 16.447 5.416 649 2HZ LYS 96 2HZ LYS 96 -5.512 15.160 4.660 650 3HZ LYS 96 3HZ LYS 96 -6.998 14.889 5.437 651 H ASP 97 H ASP 97 -1.754 16.026 10.961 652 HA ASP 97 HA ASP 97 -0.852 15.192 12.981 653 1HB ASP 97 2HB ASP 97 -2.709 17.132 14.360 654 2HB ASP 97 1HB ASP 97 -1.082 16.647 14.836 655 H VAL 98 H VAL 98 -3.573 14.249 11.854 656 HA VAL 98 HA VAL 98 -5.203 13.513 14.127 657 HB VAL 98 HB VAL 98 -4.954 12.424 11.305 658 1HG1 VAL 98 1HG1 VAL 98 -6.710 11.732 13.601 659 2HG1 VAL 98 2HG1 VAL 98 -7.503 11.903 12.035 660 3HG1 VAL 98 3HG1 VAL 98 -6.196 10.736 12.239 661 1HG2 VAL 98 1HG2 VAL 98 -5.635 14.906 11.851 662 2HG2 VAL 98 2HG2 VAL 98 -6.581 13.980 10.686 663 3HG2 VAL 98 3HG2 VAL 98 -7.164 14.176 12.339 664 H ARG 99 H ARG 99 -5.466 11.289 14.942 665 HA ARG 99 HA ARG 99 -3.412 9.288 14.317 666 1HB ARG 99 1HB ARG 99 -3.235 11.187 16.590 667 2HB ARG 99 2HB ARG 99 -2.887 9.503 16.977 668 1HG ARG 99 1HG ARG 99 -1.375 9.558 14.864 669 2HG ARG 99 2HG ARG 99 -1.484 11.312 15.016 670 1HD ARG 99 1HD ARG 99 -0.443 11.292 17.167 671 2HD ARG 99 2HD ARG 99 -0.660 9.539 17.334 672 HE ARG 99 HE ARG 99 1.377 10.882 15.674 673 1HH1 ARG 99 1HH1 ARG 99 -0.643 8.122 15.870 674 2HH1 ARG 99 2HH1 ARG 99 0.590 7.007 15.386 675 1HH2 ARG 99 1HH2 ARG 99 3.088 9.410 15.274 676 2HH2 ARG 99 2HH2 ARG 99 2.703 7.737 15.049 677 H LEU 100 H LEU 100 -3.938 7.237 15.236 678 HA LEU 100 HA LEU 100 -6.718 6.783 15.834 679 1HB LEU 100 1HB LEU 100 -5.176 5.185 14.734 680 2HB LEU 100 2HB LEU 100 -4.251 5.056 16.230 681 HG LEU 100 HG LEU 100 -7.141 4.611 16.572 682 1HD1 LEU 100 1HD1 LEU 100 -5.613 3.170 14.500 683 2HD1 LEU 100 2HD1 LEU 100 -6.433 2.124 15.659 684 3HD1 LEU 100 3HD1 LEU 100 -7.357 3.300 14.724 685 1HD2 LEU 100 1HD2 LEU 100 -4.534 3.628 17.567 686 2HD2 LEU 100 2HD2 LEU 100 -6.040 3.911 18.443 687 3HD2 LEU 100 3HD2 LEU 100 -5.820 2.420 17.525 688 H THR 101 H THR 101 -7.716 7.052 17.788 689 HA THR 101 HA THR 101 -6.034 6.899 20.270 690 HB THR 101 HB THR 101 -6.790 9.196 19.491 691 HG1 THR 101 HG1 THR 101 -6.537 9.427 21.553 692 1HG2 THR 101 1HG2 THR 101 -9.125 7.988 18.888 693 2HG2 THR 101 2HG2 THR 101 -9.519 8.592 20.497 694 3HG2 THR 101 3HG2 THR 101 -9.006 9.713 19.234 695 H CYS 102 H CYS 102 -8.742 5.698 18.566 696 HA CYS 102 HA CYS 102 -10.418 5.003 20.841 697 1HB CYS 102 1HB CYS 102 -10.254 3.957 17.995 698 2HB CYS 102 2HB CYS 102 -11.595 3.671 19.104 699 H ILE 103 H ILE 103 -8.440 2.972 18.632 700 HA ILE 103 HA ILE 103 -8.137 1.020 20.893 701 HB ILE 103 HB ILE 103 -8.063 0.501 17.907 702 1HG1 ILE 103 1HG1 ILE 103 -10.414 -0.492 19.274 703 2HG1 ILE 103 2HG1 ILE 103 -10.289 1.258 19.462 704 1HG2 ILE 103 1HG2 ILE 103 -8.306 -1.264 20.357 705 2HG2 ILE 103 2HG2 ILE 103 -8.589 -1.838 18.713 706 3HG2 ILE 103 3HG2 ILE 103 -6.993 -1.249 19.179 707 1HD1 ILE 103 1HD1 ILE 103 -9.702 0.217 16.748 708 2HD1 ILE 103 2HD1 ILE 103 -11.379 0.064 17.276 709 3HD1 ILE 103 3HD1 ILE 103 -10.609 1.651 17.232 710 H GLY 104 H GLY 104 -6.251 2.886 21.060 711 1HA GLY 104 2HA GLY 104 -4.038 3.230 19.602 712 2HA GLY 104 1HA GLY 104 -3.830 1.530 20.022 713 H SER 105 H SER 105 -1.864 2.291 21.173 714 HA SER 105 HA SER 105 -2.538 3.456 23.857 715 1HB SER 105 1HB SER 105 -1.284 0.981 22.992 716 2HB SER 105 2HB SER 105 -0.203 1.897 24.041 717 HG SER 105 HG SER 105 -2.367 0.487 24.697 718 HA PRO 106 HA PRO 106 0.563 6.472 23.063 719 1HB PRO 106 1HB PRO 106 1.491 6.924 25.600 720 2HB PRO 106 2HB PRO 106 -0.087 7.500 25.030 721 1HG PRO 106 2HG PRO 106 0.580 5.126 26.706 722 2HG PRO 106 1HG PRO 106 -0.781 6.248 26.835 723 1HD PRO 106 1HD PRO 106 -0.969 3.761 25.720 724 2HD PRO 106 2HD PRO 106 -2.018 5.122 25.267 725 H ALA 107 H ALA 107 2.816 6.543 22.652 726 HA ALA 107 HA ALA 107 4.361 4.131 23.547 727 1HB ALA 107 1HB ALA 107 4.935 5.886 21.157 728 2HB ALA 107 3HB ALA 107 3.740 4.591 21.077 729 3HB ALA 107 2HB ALA 107 5.427 4.214 21.428 730 H ALA 108 H ALA 108 4.365 7.642 23.295 731 HA ALA 108 HA ALA 108 7.147 7.766 24.363 732 1HB ALA 108 1HB ALA 108 7.179 9.917 23.447 733 2HB ALA 108 3HB ALA 108 5.438 10.128 23.637 734 3HB ALA 108 2HB ALA 108 6.066 9.096 22.352 735 H ASP 109 H ASP 109 7.584 8.878 26.338 736 HA ASP 109 HA ASP 109 5.904 8.524 28.532 737 1HB ASP 109 1HB ASP 109 8.024 10.574 27.863 738 2HB ASP 109 2HB ASP 109 7.293 10.488 29.465 739 H GLU 110 H GLU 110 6.512 11.862 27.483 740 HA GLU 110 HA GLU 110 3.675 12.521 28.109 741 1HB GLU 110 1HB GLU 110 6.311 13.792 28.241 742 2HB GLU 110 2HB GLU 110 5.090 14.849 27.535 743 1HG GLU 110 1HG GLU 110 4.976 15.229 29.888 744 2HG GLU 110 2HG GLU 110 3.597 14.196 29.513 745 H VAL 111 H VAL 111 2.274 12.679 26.404 746 HA VAL 111 HA VAL 111 3.394 13.408 23.715 747 HB VAL 111 HB VAL 111 0.991 11.695 24.431 748 1HG1 VAL 111 1HG1 VAL 111 1.704 13.002 22.037 749 2HG1 VAL 111 2HG1 VAL 111 2.147 11.311 21.803 750 3HG1 VAL 111 3HG1 VAL 111 0.491 11.737 22.234 751 1HG2 VAL 111 1HG2 VAL 111 3.701 11.054 24.662 752 2HG2 VAL 111 2HG2 VAL 111 2.365 9.907 24.562 753 3HG2 VAL 111 3HG2 VAL 111 3.230 10.383 23.100 754 H LYS 112 H LYS 112 2.213 14.955 22.511 755 HA LYS 112 HA LYS 112 0.060 16.380 24.037 756 1HB LYS 112 1HB LYS 112 1.866 17.411 21.829 757 2HB LYS 112 2HB LYS 112 0.860 18.368 22.916 758 1HG LYS 112 1HG LYS 112 2.378 16.898 24.682 759 2HG LYS 112 2HG LYS 112 3.519 17.192 23.371 760 1HD LYS 112 1HD LYS 112 2.392 19.655 23.589 761 2HD LYS 112 2HD LYS 112 2.272 19.107 25.261 762 1HE LYS 112 1HE LYS 112 4.824 18.334 24.678 763 2HE LYS 112 2HE LYS 112 4.682 19.789 23.672 764 1HZ LYS 112 1HZ LYS 112 3.799 19.662 26.507 765 2HZ LYS 112 2HZ LYS 112 5.341 20.207 26.045 766 3HZ LYS 112 3HZ LYS 112 3.955 21.046 25.534 767 H ILE 113 H ILE 113 -1.924 16.602 23.048 768 HA ILE 113 HA ILE 113 -2.251 16.316 20.143 769 HB ILE 113 HB ILE 113 -2.064 13.992 20.903 770 1HG1 ILE 113 1HG1 ILE 113 -4.945 13.909 20.624 771 2HG1 ILE 113 2HG1 ILE 113 -4.258 15.103 19.522 772 1HG2 ILE 113 1HG2 ILE 113 -2.761 14.542 23.277 773 2HG2 ILE 113 2HG2 ILE 113 -4.429 14.576 22.705 774 3HG2 ILE 113 3HG2 ILE 113 -3.497 13.083 22.614 775 1HD1 ILE 113 1HD1 ILE 113 -2.498 13.187 19.048 776 2HD1 ILE 113 2HD1 ILE 113 -3.789 12.144 19.646 777 3HD1 ILE 113 3HD1 ILE 113 -4.067 13.173 18.240 778 H VAL 114 H VAL 114 -4.382 16.969 19.474 779 HA VAL 114 HA VAL 114 -5.930 18.366 21.621 780 HB VAL 114 HB VAL 114 -4.904 19.052 19.006 781 1HG1 VAL 114 1HG1 VAL 114 -7.206 18.351 18.260 782 2HG1 VAL 114 2HG1 VAL 114 -7.871 19.576 19.339 783 3HG1 VAL 114 3HG1 VAL 114 -6.854 20.056 17.980 784 1HG2 VAL 114 1HG2 VAL 114 -5.352 20.249 21.448 785 2HG2 VAL 114 2HG2 VAL 114 -4.839 21.091 19.985 786 3HG2 VAL 114 3HG2 VAL 114 -6.550 21.033 20.416 787 H TYR 115 H TYR 115 -8.197 17.984 21.730 788 HA TYR 115 HA TYR 115 -9.120 15.622 20.147 789 1HB TYR 115 2HB TYR 115 -10.072 14.892 22.090 790 2HB TYR 115 1HB TYR 115 -8.953 16.020 22.843 791 HD1 TYR 115 HD1 TYR 115 -9.769 18.413 23.310 792 HD2 TYR 115 HD2 TYR 115 -12.403 15.174 22.295 793 HE1 TYR 115 HE1 TYR 115 -11.685 19.675 24.248 794 HE2 TYR 115 HE2 TYR 115 -14.318 16.437 23.236 795 HH TYR 115 HH TYR 115 -14.643 19.278 23.605 796 H ASN 116 H ASN 116 -11.701 15.709 20.045 797 HA ASN 116 HA ASN 116 -13.663 16.814 19.300 798 1HB ASN 116 1HB ASN 116 -12.181 18.786 20.673 799 2HB ASN 116 2HB ASN 116 -12.628 19.515 19.134 800 2HD2 ASN 116 2HD2 ASN 116 -14.619 20.550 19.252 801 1HD2 ASN 116 1HD2 ASN 116 -15.919 20.064 20.229 802 H ALA 117 H ALA 117 -11.137 16.061 17.647 803 HA ALA 117 HA ALA 117 -10.538 17.640 15.491 804 1HB ALA 117 1HB ALA 117 -9.664 15.468 15.512 805 2HB ALA 117 2HB ALA 117 -11.246 14.737 15.774 806 3HB ALA 117 3HB ALA 117 -10.824 15.375 14.187 807 H LYS 118 H LYS 118 -13.708 16.276 16.174 808 HA LYS 118 HA LYS 118 -15.054 16.357 13.764 809 1HB LYS 118 2HB LYS 118 -17.022 16.966 15.129 810 2HB LYS 118 1HB LYS 118 -16.008 15.801 15.978 811 1HG LYS 118 1HG LYS 118 -15.520 17.273 17.630 812 2HG LYS 118 2HG LYS 118 -15.237 18.586 16.490 813 1HD LYS 118 1HD LYS 118 -17.256 19.458 16.964 814 2HD LYS 118 2HD LYS 118 -18.035 17.952 16.479 815 1HE LYS 118 1HE LYS 118 -17.960 17.071 18.683 816 2HE LYS 118 2HE LYS 118 -16.740 18.251 19.199 817 H HIS 119 H HIS 119 -13.697 19.099 15.486 818 HA HIS 119 HA HIS 119 -15.209 21.201 14.274 819 1HB HIS 119 1HB HIS 119 -13.197 22.540 14.955 820 2HB HIS 119 2HB HIS 119 -13.791 21.488 16.239 821 HD1 HIS 119 HD1 HIS 119 -11.264 21.219 13.376 822 HD2 HIS 119 HD2 HIS 119 -11.738 20.005 17.341 823 HE1 HIS 119 HE1 HIS 119 -9.144 19.986 14.008 824 H LEU 120 H LEU 120 -12.579 19.203 13.096 825 HA LEU 120 HA LEU 120 -11.404 20.719 11.081 826 1HB LEU 120 1HB LEU 120 -12.115 17.867 11.528 827 2HB LEU 120 2HB LEU 120 -11.660 18.301 9.881 828 HG LEU 120 HG LEU 120 -9.973 19.288 12.156 829 1HD1 LEU 120 1HD1 LEU 120 -10.530 16.529 11.709 830 2HD1 LEU 120 2HD1 LEU 120 -8.897 16.840 11.120 831 3HD1 LEU 120 3HD1 LEU 120 -9.321 17.228 12.787 832 1HD2 LEU 120 1HD2 LEU 120 -9.787 19.791 9.576 833 2HD2 LEU 120 2HD2 LEU 120 -8.326 19.472 10.512 834 3HD2 LEU 120 3HD2 LEU 120 -9.034 18.198 9.520 835 H ASP 121 H ASP 121 -12.751 22.177 9.963 836 HA ASP 121 HA ASP 121 -15.365 21.660 8.972 837 1HB ASP 121 1HB ASP 121 -14.886 23.636 7.564 838 2HB ASP 121 2HB ASP 121 -14.271 23.874 9.200 839 H TYR 122 H TYR 122 -12.318 20.464 7.907 840 HA TYR 122 HA TYR 122 -13.053 20.043 5.108 841 1HB TYR 122 1HB TYR 122 -10.747 20.310 5.624 842 2HB TYR 122 2HB TYR 122 -10.834 19.169 6.965 843 HD1 TYR 122 HD1 TYR 122 -10.949 16.744 6.558 844 HD2 TYR 122 HD2 TYR 122 -10.593 19.546 3.321 845 HE1 TYR 122 HE1 TYR 122 -10.317 14.897 5.029 846 HE2 TYR 122 HE2 TYR 122 -9.961 17.699 1.792 847 HH TYR 122 HH TYR 122 -9.497 15.535 1.617 848 H LEU 123 H LEU 123 -13.758 18.458 8.064 849 HA LEU 123 HA LEU 123 -14.592 15.994 6.565 850 1HB LEU 123 1HB LEU 123 -13.030 16.463 9.041 851 2HB LEU 123 2HB LEU 123 -14.218 15.164 9.134 852 HG LEU 123 HG LEU 123 -12.539 15.249 6.680 853 1HD1 LEU 123 1HD1 LEU 123 -11.260 15.549 9.125 854 2HD1 LEU 123 2HD1 LEU 123 -11.226 13.804 8.863 855 3HD1 LEU 123 3HD1 LEU 123 -10.531 14.891 7.661 856 1HD2 LEU 123 1HD2 LEU 123 -13.784 13.206 8.507 857 2HD2 LEU 123 2HD2 LEU 123 -14.006 13.422 6.771 858 3HD2 LEU 123 3HD2 LEU 123 -12.507 12.727 7.387 859 H GLN 124 H GLN 124 -15.552 18.622 8.538 860 HA GLN 124 HA GLN 124 -17.591 17.717 10.186 861 1HB GLN 124 1HB GLN 124 -16.718 20.094 9.512 862 2HB GLN 124 2HB GLN 124 -18.017 20.042 8.320 863 1HG GLN 124 1HG GLN 124 -19.667 20.143 9.919 864 2HG GLN 124 2HG GLN 124 -18.717 19.251 11.106 865 2HE2 GLN 124 2HE2 GLN 124 -19.732 21.304 12.361 866 1HE2 GLN 124 1HE2 GLN 124 -18.698 22.647 12.457 867 H ASN 125 H ASN 125 -17.591 17.862 6.663 868 HA ASN 125 HA ASN 125 -20.274 17.650 5.980 869 1HB ASN 125 2HB ASN 125 -19.462 16.461 4.026 870 2HB ASN 125 1HB ASN 125 -18.222 17.622 4.501 871 2HD2 ASN 125 2HD2 ASN 125 -19.029 14.171 4.417 872 1HD2 ASN 125 1HD2 ASN 125 -17.471 13.617 4.802 873 H ARG 126 H ARG 126 -18.314 15.310 7.693 874 HA ARG 126 HA ARG 126 -19.929 12.974 7.271 875 1HB ARG 126 1HB ARG 126 -17.537 13.487 8.357 876 2HB ARG 126 2HB ARG 126 -18.484 13.470 9.844 877 1HG ARG 126 1HG ARG 126 -18.412 11.220 9.805 878 2HG ARG 126 2HG ARG 126 -19.370 11.255 8.325 879 1HD ARG 126 1HD ARG 126 -17.554 10.305 7.323 880 2HD ARG 126 2HD ARG 126 -16.789 11.899 7.462 881 HE ARG 126 HE ARG 126 -16.537 10.643 9.985 882 1HH1 ARG 126 1HH1 ARG 126 -16.127 8.723 7.379 883 2HH1 ARG 126 2HH1 ARG 126 -14.409 8.544 7.504 884 1HH2 ARG 126 1HH2 ARG 126 -14.053 11.048 9.877 885 2HH2 ARG 126 2HH2 ARG 126 -13.234 9.861 8.917 886 H VAL 127 H VAL 127 -20.281 15.764 9.366 887 HA VAL 127 HA VAL 127 -22.232 14.516 11.156 888 HB VAL 127 HB VAL 127 -21.304 17.351 10.615 889 1HG1 VAL 127 1HG1 VAL 127 -23.649 17.280 11.483 890 2HG1 VAL 127 2HG1 VAL 127 -23.073 16.346 12.864 891 3HG1 VAL 127 3HG1 VAL 127 -22.519 18.003 12.627 892 1HG2 VAL 127 1HG2 VAL 127 -20.570 15.153 12.501 893 2HG2 VAL 127 2HG2 VAL 127 -19.535 16.341 11.707 894 3HG2 VAL 127 3HG2 VAL 127 -20.502 16.809 13.105 895 H ILE 128 H ILE 128 -24.217 13.976 10.301 896 HA ILE 128 HA ILE 128 -25.597 16.032 8.608 897 HB ILE 128 HB ILE 128 -24.697 14.126 7.286 898 1HG1 ILE 128 2HG1 ILE 128 -27.080 13.295 6.508 899 2HG1 ILE 128 1HG1 ILE 128 -27.651 14.546 7.613 900 1HG2 ILE 128 1HG2 ILE 128 -25.090 12.582 9.407 901 2HG2 ILE 128 2HG2 ILE 128 -26.652 12.302 8.637 902 3HG2 ILE 128 3HG2 ILE 128 -25.163 11.906 7.779 903 1HD1 ILE 128 1HD1 ILE 128 -25.548 15.721 6.143 904 2HD1 ILE 128 2HD1 ILE 128 -26.523 14.839 4.966 905 3HD1 ILE 128 3HD1 ILE 128 -27.272 16.063 5.992 No H/Q in entry = 905 Start of MODEL 20 1 H2 PRO 1 H2 PRO 1 3.982 8.035 30.586 2 H3 PRO 1 H3 PRO 1 4.536 6.923 29.423 3 HA PRO 1 HA PRO 1 2.467 6.760 28.661 4 1HB PRO 1 1HB PRO 1 0.981 5.661 30.681 5 2HB PRO 1 2HB PRO 1 2.196 4.748 29.767 6 1HG PRO 1 1HG PRO 1 2.395 6.010 32.460 7 2HG PRO 1 2HG PRO 1 3.027 4.458 31.896 8 1HD PRO 1 1HD PRO 1 4.562 6.689 32.173 9 2HD PRO 1 2HD PRO 1 4.907 5.410 30.991 10 H THR 2 H THR 2 2.828 9.373 29.307 11 HA THR 2 HA THR 2 0.278 10.145 30.691 12 HB THR 2 HB THR 2 3.054 11.355 30.724 13 HG1 THR 2 HG1 THR 2 1.984 9.626 32.226 14 1HG2 THR 2 1HG2 THR 2 0.401 12.597 31.186 15 2HG2 THR 2 2HG2 THR 2 1.633 12.933 32.402 16 3HG2 THR 2 3HG2 THR 2 1.927 13.342 30.712 17 H VAL 3 H VAL 3 -1.028 11.536 29.528 18 HA VAL 3 HA VAL 3 0.114 12.812 27.066 19 HB VAL 3 HB VAL 3 -2.476 11.276 27.448 20 1HG1 VAL 3 1HG1 VAL 3 -1.435 12.899 25.112 21 2HG1 VAL 3 2HG1 VAL 3 -2.717 11.697 24.955 22 3HG1 VAL 3 3HG1 VAL 3 -2.958 13.115 25.976 23 1HG2 VAL 3 1HG2 VAL 3 0.160 10.506 26.678 24 2HG2 VAL 3 2HG2 VAL 3 -1.299 9.514 26.695 25 3HG2 VAL 3 3HG2 VAL 3 -0.862 10.417 25.244 26 H GLU 4 H GLU 4 -1.549 14.528 26.237 27 HA GLU 4 HA GLU 4 -3.048 15.806 28.484 28 1HB GLU 4 1HB GLU 4 -0.506 16.541 27.765 29 2HB GLU 4 2HB GLU 4 -1.473 17.605 26.744 30 1HG GLU 4 1HG GLU 4 -2.425 18.700 28.553 31 2HG GLU 4 2HG GLU 4 -2.231 17.314 29.627 32 H TYR 5 H TYR 5 -5.096 16.169 27.694 33 HA TYR 5 HA TYR 5 -5.501 16.355 24.761 34 1HB TYR 5 1HB TYR 5 -7.916 16.181 25.473 35 2HB TYR 5 2HB TYR 5 -6.911 14.847 26.041 36 HD1 TYR 5 HD1 TYR 5 -8.309 18.159 27.065 37 HD2 TYR 5 HD2 TYR 5 -6.740 14.371 28.341 38 HE1 TYR 5 HE1 TYR 5 -8.952 18.679 29.404 39 HE2 TYR 5 HE2 TYR 5 -7.384 14.888 30.677 40 HH TYR 5 HH TYR 5 -9.341 16.574 31.710 41 H LEU 6 H LEU 6 -6.112 18.222 23.724 42 HA LEU 6 HA LEU 6 -6.651 20.647 25.409 43 1HB LEU 6 1HB LEU 6 -4.409 20.111 23.909 44 2HB LEU 6 2HB LEU 6 -5.396 21.020 22.765 45 HG LEU 6 HG LEU 6 -4.530 21.891 25.536 46 1HD1 LEU 6 1HD1 LEU 6 -3.189 22.101 23.182 47 2HD1 LEU 6 2HD1 LEU 6 -4.155 23.576 23.122 48 3HD1 LEU 6 3HD1 LEU 6 -3.062 23.290 24.477 49 1HD2 LEU 6 1HD2 LEU 6 -6.550 23.066 23.612 50 2HD2 LEU 6 2HD2 LEU 6 -6.793 22.635 25.306 51 3HD2 LEU 6 3HD2 LEU 6 -5.785 24.019 24.884 52 H ASN 7 H ASN 7 -8.567 21.633 24.874 53 HA ASN 7 HA ASN 7 -10.342 20.576 22.893 54 1HB ASN 7 1HB ASN 7 -10.970 21.806 24.956 55 2HB ASN 7 2HB ASN 7 -10.280 23.278 24.272 56 2HD2 ASN 7 2HD2 ASN 7 -12.650 24.036 24.579 57 1HD2 ASN 7 1HD2 ASN 7 -13.735 23.718 23.312 58 H TYR 8 H TYR 8 -10.233 20.852 20.713 59 HA TYR 8 HA TYR 8 -8.403 22.628 19.399 60 1HB TYR 8 1HB TYR 8 -9.217 20.603 18.359 61 2HB TYR 8 2HB TYR 8 -10.892 21.125 18.532 62 HD1 TYR 8 HD1 TYR 8 -7.669 21.907 16.834 63 HD2 TYR 8 HD2 TYR 8 -11.917 22.540 16.916 64 HE1 TYR 8 HE1 TYR 8 -7.542 23.043 14.633 65 HE2 TYR 8 HE2 TYR 8 -11.790 23.676 14.715 66 HH TYR 8 HH TYR 8 -9.404 23.401 12.640 67 H GLU 9 H GLU 9 -11.841 22.902 20.253 68 HA GLU 9 HA GLU 9 -12.442 25.280 18.783 69 1HB GLU 9 1HB GLU 9 -13.747 23.483 20.404 70 2HB GLU 9 2HB GLU 9 -13.711 24.920 21.426 71 1HG GLU 9 1HG GLU 9 -14.408 26.017 19.025 72 2HG GLU 9 2HG GLU 9 -15.178 24.433 18.903 73 H THR 10 H THR 10 -10.784 24.735 21.837 74 HA THR 10 HA THR 10 -10.927 27.460 22.812 75 HB THR 10 HB THR 10 -9.204 25.030 23.345 76 HG1 THR 10 HG1 THR 10 -11.224 26.431 24.755 77 1HG2 THR 10 1HG2 THR 10 -9.091 27.741 24.696 78 2HG2 THR 10 2HG2 THR 10 -8.311 26.281 25.306 79 3HG2 THR 10 3HG2 THR 10 -7.799 26.978 23.768 80 H LEU 11 H LEU 11 -8.588 25.625 20.858 81 HA LEU 11 HA LEU 11 -6.548 27.649 20.751 82 1HB LEU 11 1HB LEU 11 -5.984 25.422 20.157 83 2HB LEU 11 2HB LEU 11 -7.369 25.273 19.075 84 HG LEU 11 HG LEU 11 -6.357 26.932 17.551 85 1HD1 LEU 11 1HD1 LEU 11 -4.138 26.894 19.613 86 2HD1 LEU 11 2HD1 LEU 11 -3.945 27.559 17.992 87 3HD1 LEU 11 3HD1 LEU 11 -5.103 28.281 19.110 88 1HD2 LEU 11 1HD2 LEU 11 -5.041 24.381 18.297 89 2HD2 LEU 11 2HD2 LEU 11 -5.674 24.908 16.737 90 3HD2 LEU 11 3HD2 LEU 11 -4.088 25.460 17.278 91 H ASP 12 H ASP 12 -9.350 26.918 18.675 92 HA ASP 12 HA ASP 12 -8.749 29.077 16.790 93 1HB ASP 12 1HB ASP 12 -11.252 27.419 17.255 94 2HB ASP 12 2HB ASP 12 -10.871 28.339 15.799 95 H ASP 13 H ASP 13 -11.292 28.499 19.253 96 HA ASP 13 HA ASP 13 -12.720 30.889 19.097 97 1HB ASP 13 1HB ASP 13 -13.163 28.922 20.572 98 2HB ASP 13 2HB ASP 13 -11.815 29.419 21.595 99 H GLN 14 H GLN 14 -9.811 30.302 21.108 100 HA GLN 14 HA GLN 14 -9.564 33.082 21.911 101 1HB GLN 14 1HB GLN 14 -8.736 30.838 22.977 102 2HB GLN 14 2HB GLN 14 -7.353 31.036 21.900 103 1HG GLN 14 1HG GLN 14 -6.453 32.536 23.315 104 2HG GLN 14 2HG GLN 14 -7.884 33.555 23.159 105 2HE2 GLN 14 2HE2 GLN 14 -6.447 30.920 25.084 106 1HE2 GLN 14 1HE2 GLN 14 -7.485 31.101 26.415 107 H GLY 15 H GLY 15 -8.646 31.282 19.107 108 1HA GLY 15 2HA GLY 15 -7.624 33.624 17.773 109 2HA GLY 15 1HA GLY 15 -7.560 31.978 17.143 110 H TRP 16 H TRP 16 -6.089 30.811 19.304 111 HA TRP 16 HA TRP 16 -3.583 32.347 19.574 112 1HB TRP 16 1HB TRP 16 -4.968 30.099 20.820 113 2HB TRP 16 2HB TRP 16 -3.256 29.753 20.571 114 HD1 TRP 16 HD1 TRP 16 -2.416 30.072 23.006 115 HE1 TRP 16 HE1 TRP 16 -2.275 32.098 24.597 116 HE3 TRP 16 HE3 TRP 16 -5.282 33.422 20.428 117 HZ2 TRP 16 HZ2 TRP 16 -3.253 34.782 24.756 118 HZ3 TRP 16 HZ3 TRP 16 -5.661 35.702 21.321 119 HH2 TRP 16 HH2 TRP 16 -4.651 36.386 23.479 120 H ASP 17 H ASP 17 -1.602 30.531 19.364 121 HA ASP 17 HA ASP 17 -1.624 29.831 16.468 122 1HB ASP 17 1HB ASP 17 0.120 31.273 17.797 123 2HB ASP 17 2HB ASP 17 0.734 29.710 18.337 124 H MET 18 H MET 18 0.119 27.810 16.249 125 HA MET 18 HA MET 18 -1.331 25.490 17.187 126 1HB MET 18 1HB MET 18 0.584 26.171 15.251 127 2HB MET 18 2HB MET 18 1.405 25.019 16.305 128 1HG MET 18 2HG MET 18 0.357 23.523 14.898 129 2HG MET 18 1HG MET 18 -0.940 23.739 16.074 130 1HE MET 18 1HE MET 18 -2.642 22.944 14.686 131 2HE MET 18 2HE MET 18 -3.354 24.417 15.341 132 3HE MET 18 3HE MET 18 -3.603 24.005 13.647 133 H ASP 19 H ASP 19 1.915 26.793 17.993 134 HA ASP 19 HA ASP 19 1.643 25.673 20.729 135 1HB ASP 19 1HB ASP 19 3.678 24.882 18.637 136 2HB ASP 19 2HB ASP 19 3.973 24.636 20.358 137 H ASP 20 H ASP 20 2.174 28.320 19.040 138 HA ASP 20 HA ASP 20 4.743 29.262 20.060 139 1HB ASP 20 1HB ASP 20 2.547 30.131 18.328 140 2HB ASP 20 2HB ASP 20 3.201 31.450 19.297 141 H ASP 21 H ASP 21 1.314 29.867 20.876 142 HA ASP 21 HA ASP 21 1.957 31.610 23.122 143 1HB ASP 21 1HB ASP 21 -0.517 30.203 22.092 144 2HB ASP 21 2HB ASP 21 -0.549 31.243 23.515 145 H ASP 22 H ASP 22 2.409 28.363 22.738 146 HA ASP 22 HA ASP 22 2.691 26.581 24.255 147 1HB ASP 22 1HB ASP 22 3.377 29.092 25.495 148 2HB ASP 22 2HB ASP 22 2.696 28.011 26.710 149 H LEU 23 H LEU 23 0.067 26.956 23.491 150 HA LEU 23 HA LEU 23 -1.928 27.426 25.395 151 1HB LEU 23 1HB LEU 23 -1.670 25.343 23.206 152 2HB LEU 23 2HB LEU 23 -3.185 25.681 24.042 153 HG LEU 23 HG LEU 23 -2.320 28.208 23.350 154 1HD1 LEU 23 1HD1 LEU 23 -0.800 26.429 21.788 155 2HD1 LEU 23 2HD1 LEU 23 -2.069 27.022 20.717 156 3HD1 LEU 23 3HD1 LEU 23 -0.995 28.163 21.527 157 1HD2 LEU 23 1HD2 LEU 23 -4.133 26.268 21.888 158 2HD2 LEU 23 2HD2 LEU 23 -4.602 27.459 23.102 159 3HD2 LEU 23 3HD2 LEU 23 -4.047 27.988 21.514 160 H PHE 24 H PHE 24 -0.431 24.229 24.719 161 HA PHE 24 HA PHE 24 -1.642 22.762 26.797 162 1HB PHE 24 1HB PHE 24 0.959 22.659 25.295 163 2HB PHE 24 2HB PHE 24 0.690 21.526 26.618 164 HD1 PHE 24 HD1 PHE 24 -1.523 20.167 26.584 165 HD2 PHE 24 HD2 PHE 24 0.063 22.230 23.166 166 HE1 PHE 24 HE1 PHE 24 -2.908 18.752 25.087 167 HE2 PHE 24 HE2 PHE 24 -1.320 20.816 21.671 168 HZ PHE 24 HZ PHE 24 -2.804 19.077 22.631 169 H GLU 25 H GLU 25 0.784 25.235 26.950 170 HA GLU 25 HA GLU 25 1.531 24.502 29.744 171 1HB GLU 25 1HB GLU 25 2.936 25.389 27.533 172 2HB GLU 25 2HB GLU 25 2.740 26.866 28.477 173 1HG GLU 25 1HG GLU 25 4.337 26.180 29.906 174 2HG GLU 25 2HG GLU 25 3.407 24.727 30.266 175 H LYS 26 H LYS 26 0.636 27.474 27.932 176 HA LYS 26 HA LYS 26 0.042 29.045 30.249 177 1HB LYS 26 1HB LYS 26 -0.093 29.185 27.360 178 2HB LYS 26 2HB LYS 26 -1.530 29.920 28.071 179 1HG LYS 26 1HG LYS 26 0.203 31.058 29.690 180 2HG LYS 26 2HG LYS 26 1.355 30.689 28.406 181 1HD LYS 26 1HD LYS 26 0.453 32.229 26.982 182 2HD LYS 26 2HD LYS 26 -1.197 31.894 27.508 183 1HE LYS 26 1HE LYS 26 -0.863 34.051 28.378 184 2HE LYS 26 2HE LYS 26 -0.364 33.051 29.755 185 1HZ LYS 26 1HZ LYS 26 1.613 33.609 27.665 186 2HZ LYS 26 2HZ LYS 26 1.231 34.873 28.733 187 3HZ LYS 26 3HZ LYS 26 1.837 33.406 29.336 188 H ALA 27 H ALA 27 -1.818 26.650 28.499 189 HA ALA 27 HA ALA 27 -4.464 27.382 29.234 190 1HB ALA 27 1HB ALA 27 -3.868 25.657 27.590 191 2HB ALA 27 2HB ALA 27 -3.152 24.669 28.863 192 3HB ALA 27 3HB ALA 27 -4.892 24.955 28.842 193 H ALA 28 H ALA 28 -1.853 26.157 31.158 194 HA ALA 28 HA ALA 28 -3.506 25.004 33.274 195 1HB ALA 28 1HB ALA 28 -0.898 24.834 32.451 196 2HB ALA 28 3HB ALA 28 -0.746 25.897 33.851 197 3HB ALA 28 2HB ALA 28 -1.469 24.299 34.032 198 H ASP 29 H ASP 29 -2.237 28.173 32.494 199 HA ASP 29 HA ASP 29 -2.796 29.217 35.216 200 1HB ASP 29 1HB ASP 29 -0.754 29.822 33.907 201 2HB ASP 29 2HB ASP 29 -1.789 30.561 32.685 202 H ALA 30 H ALA 30 -4.517 28.672 32.370 203 HA ALA 30 HA ALA 30 -6.213 31.094 32.576 204 1HB ALA 30 1HB ALA 30 -6.324 28.656 30.770 205 2HB ALA 30 3HB ALA 30 -7.215 30.160 30.532 206 3HB ALA 30 2HB ALA 30 -5.456 30.147 30.401 207 H GLY 31 H GLY 31 -6.122 27.892 33.811 208 1HA GLY 31 2HA GLY 31 -8.482 28.196 35.370 209 2HA GLY 31 1HA GLY 31 -7.673 26.658 35.067 210 H LEU 32 H LEU 32 -7.949 26.741 32.188 211 HA LEU 32 HA LEU 32 -10.656 27.147 31.338 212 1HB LEU 32 1HB LEU 32 -8.276 25.550 30.397 213 2HB LEU 32 2HB LEU 32 -9.811 25.465 29.531 214 HG LEU 32 HG LEU 32 -8.436 28.079 30.200 215 1HD1 LEU 32 1HD1 LEU 32 -7.862 26.096 28.117 216 2HD1 LEU 32 2HD1 LEU 32 -8.223 27.694 27.464 217 3HD1 LEU 32 3HD1 LEU 32 -6.914 27.492 28.628 218 1HD2 LEU 32 1HD2 LEU 32 -10.688 27.268 28.340 219 2HD2 LEU 32 2HD2 LEU 32 -10.800 28.317 29.754 220 3HD2 LEU 32 3HD2 LEU 32 -9.930 28.861 28.319 221 H ASP 33 H ASP 33 -12.074 25.252 30.589 222 HA ASP 33 HA ASP 33 -12.895 23.633 32.755 223 1HB ASP 33 1HB ASP 33 -13.355 23.885 29.853 224 2HB ASP 33 2HB ASP 33 -13.700 22.279 30.496 225 H GLY 34 H GLY 34 -12.621 21.327 33.112 226 1HA GLY 34 2HA GLY 34 -11.148 19.513 33.465 227 2HA GLY 34 1HA GLY 34 -9.915 20.392 32.561 228 H GLU 35 H GLU 35 -13.056 19.957 31.124 229 HA GLU 35 HA GLU 35 -12.386 17.487 29.709 230 1HB GLU 35 1HB GLU 35 -14.678 18.418 30.432 231 2HB GLU 35 2HB GLU 35 -14.543 19.502 29.048 232 1HG GLU 35 1HG GLU 35 -13.974 17.245 27.769 233 2HG GLU 35 2HG GLU 35 -14.872 16.526 29.105 234 H ASP 36 H ASP 36 -11.664 20.810 29.262 235 HA ASP 36 HA ASP 36 -11.303 20.524 26.317 236 1HB ASP 36 1HB ASP 36 -11.192 22.806 28.308 237 2HB ASP 36 2HB ASP 36 -10.772 23.009 26.608 238 H TYR 37 H TYR 37 -9.419 21.404 29.237 239 HA TYR 37 HA TYR 37 -6.957 20.495 27.790 240 1HB TYR 37 1HB TYR 37 -6.855 22.857 27.694 241 2HB TYR 37 2HB TYR 37 -7.541 23.038 29.309 242 HD1 TYR 37 HD1 TYR 37 -4.515 21.964 27.429 243 HD2 TYR 37 HD2 TYR 37 -6.164 22.984 31.262 244 HE1 TYR 37 HE1 TYR 37 -2.234 22.000 28.402 245 HE2 TYR 37 HE2 TYR 37 -3.884 23.020 32.234 246 HH TYR 37 HH TYR 37 -1.024 22.747 30.222 247 H GLY 38 H GLY 38 -5.800 19.041 28.992 248 1HA GLY 38 2HA GLY 38 -6.711 18.063 31.505 249 2HA GLY 38 1HA GLY 38 -5.383 19.183 31.800 250 H THR 39 H THR 39 -4.760 16.739 32.573 251 HA THR 39 HA THR 39 -2.916 15.756 30.440 252 HB THR 39 HB THR 39 -2.636 14.688 33.157 253 HG1 THR 39 HG1 THR 39 -2.233 16.600 34.157 254 1HG2 THR 39 1HG2 THR 39 -0.918 16.203 31.190 255 2HG2 THR 39 2HG2 THR 39 -0.340 15.773 32.800 256 3HG2 THR 39 3HG2 THR 39 -0.799 14.507 31.661 257 H MET 40 H MET 40 -3.488 13.887 29.421 258 HA MET 40 HA MET 40 -5.560 12.138 30.642 259 1HB MET 40 1HB MET 40 -5.371 13.135 28.192 260 2HB MET 40 2HB MET 40 -4.321 11.741 27.939 261 1HG MET 40 1HG MET 40 -6.108 10.382 27.794 262 2HG MET 40 2HG MET 40 -6.665 10.906 29.382 263 1HE MET 40 1HE MET 40 -7.966 10.179 26.307 264 2HE MET 40 2HE MET 40 -8.542 11.615 25.449 265 3HE MET 40 3HE MET 40 -6.815 11.295 25.576 266 H GLU 41 H GLU 41 -4.706 10.546 31.949 267 HA GLU 41 HA GLU 41 -1.984 9.537 31.593 268 1HB GLU 41 1HB GLU 41 -4.277 9.277 33.459 269 2HB GLU 41 2HB GLU 41 -3.208 7.876 33.376 270 1HG GLU 41 1HG GLU 41 -1.529 10.156 33.424 271 2HG GLU 41 2HG GLU 41 -2.754 10.417 34.665 272 H VAL 42 H VAL 42 -1.573 8.117 29.938 273 HA VAL 42 HA VAL 42 -3.630 6.006 29.365 274 HB VAL 42 HB VAL 42 -1.737 7.465 27.493 275 1HG1 VAL 42 1HG1 VAL 42 -3.891 5.394 26.962 276 2HG1 VAL 42 2HG1 VAL 42 -3.013 6.284 25.717 277 3HG1 VAL 42 3HG1 VAL 42 -2.154 5.158 26.768 278 1HG2 VAL 42 1HG2 VAL 42 -4.026 8.454 28.572 279 2HG2 VAL 42 2HG2 VAL 42 -3.463 8.864 26.953 280 3HG2 VAL 42 3HG2 VAL 42 -4.681 7.608 27.171 281 H ALA 43 H ALA 43 -2.776 4.109 30.151 282 HA ALA 43 HA ALA 43 0.046 3.636 30.539 283 1HB ALA 43 1HB ALA 43 -1.857 2.597 31.792 284 2HB ALA 43 3HB ALA 43 -0.743 1.396 31.140 285 3HB ALA 43 2HB ALA 43 -2.283 1.698 30.336 286 H GLU 44 H GLU 44 1.460 2.333 29.273 287 HA GLU 44 HA GLU 44 1.190 2.427 26.439 288 1HB GLU 44 1HB GLU 44 3.059 1.624 28.428 289 2HB GLU 44 2HB GLU 44 2.893 0.273 27.306 290 1HG GLU 44 1HG GLU 44 3.258 3.102 26.314 291 2HG GLU 44 2HG GLU 44 4.641 2.089 26.728 292 H GLY 45 H GLY 45 -0.271 1.278 25.245 293 1HA GLY 45 2HA GLY 45 -0.762 -1.568 25.996 294 2HA GLY 45 1HA GLY 45 -0.949 -0.914 24.368 295 H GLU 46 H GLU 46 -2.167 1.459 26.216 296 HA GLU 46 HA GLU 46 -4.912 0.250 26.336 297 1HB GLU 46 1HB GLU 46 -3.284 1.551 28.251 298 2HB GLU 46 2HB GLU 46 -4.561 2.696 27.841 299 1HG GLU 46 1HG GLU 46 -5.292 1.255 29.687 300 2HG GLU 46 2HG GLU 46 -6.251 0.917 28.246 301 H TYR 47 H TYR 47 -5.895 0.913 24.429 302 HA TYR 47 HA TYR 47 -5.390 3.028 22.741 303 1HB TYR 47 1HB TYR 47 -8.079 2.007 23.713 304 2HB TYR 47 2HB TYR 47 -7.830 2.917 22.224 305 HD1 TYR 47 HD1 TYR 47 -4.899 1.175 22.435 306 HD2 TYR 47 HD2 TYR 47 -9.081 0.426 21.797 307 HE1 TYR 47 HE1 TYR 47 -4.342 -0.929 21.247 308 HE2 TYR 47 HE2 TYR 47 -8.523 -1.676 20.609 309 HH TYR 47 HH TYR 47 -6.710 -2.716 19.468 310 H ILE 48 H ILE 48 -5.313 5.221 23.000 311 HA ILE 48 HA ILE 48 -5.631 6.662 25.345 312 HB ILE 48 HB ILE 48 -6.134 7.395 22.451 313 1HG1 ILE 48 1HG1 ILE 48 -3.824 8.315 24.120 314 2HG1 ILE 48 2HG1 ILE 48 -3.830 6.648 23.543 315 1HG2 ILE 48 1HG2 ILE 48 -6.128 9.102 24.938 316 2HG2 ILE 48 2HG2 ILE 48 -5.668 9.773 23.374 317 3HG2 ILE 48 3HG2 ILE 48 -7.284 9.106 23.606 318 1HD1 ILE 48 1HD1 ILE 48 -4.317 9.003 21.707 319 2HD1 ILE 48 2HD1 ILE 48 -2.704 8.357 22.008 320 3HD1 ILE 48 3HD1 ILE 48 -3.935 7.342 21.258 321 H LEU 49 H LEU 49 -8.152 6.624 22.785 322 HA LEU 49 HA LEU 49 -10.244 7.888 24.056 323 1HB LEU 49 1HB LEU 49 -10.271 6.919 21.782 324 2HB LEU 49 2HB LEU 49 -10.336 5.298 22.475 325 HG LEU 49 HG LEU 49 -12.405 7.351 23.228 326 1HD1 LEU 49 1HD1 LEU 49 -11.958 6.532 20.584 327 2HD1 LEU 49 2HD1 LEU 49 -13.278 5.510 21.154 328 3HD1 LEU 49 3HD1 LEU 49 -13.430 7.267 21.219 329 1HD2 LEU 49 1HD2 LEU 49 -11.864 4.595 23.790 330 2HD2 LEU 49 2HD2 LEU 49 -13.187 5.593 24.395 331 3HD2 LEU 49 3HD2 LEU 49 -13.377 4.691 22.891 332 H GLU 50 H GLU 50 -9.052 4.623 24.734 333 HA GLU 50 HA GLU 50 -11.232 3.810 26.442 334 1HB GLU 50 1HB GLU 50 -9.072 2.650 25.249 335 2HB GLU 50 2HB GLU 50 -8.500 2.760 26.913 336 1HG GLU 50 2HG GLU 50 -9.731 0.938 27.399 337 2HG GLU 50 1HG GLU 50 -11.183 1.882 27.064 338 H ALA 51 H ALA 51 -7.994 5.171 27.126 339 HA ALA 51 HA ALA 51 -8.256 5.202 29.978 340 1HB ALA 51 1HB ALA 51 -6.688 7.245 28.434 341 2HB ALA 51 2HB ALA 51 -6.215 6.334 29.868 342 3HB ALA 51 3HB ALA 51 -6.251 5.542 28.293 343 H ALA 52 H ALA 52 -9.341 7.419 27.471 344 HA ALA 52 HA ALA 52 -9.901 9.647 29.244 345 1HB ALA 52 1HB ALA 52 -10.346 8.838 26.420 346 2HB ALA 52 3HB ALA 52 -9.703 10.348 27.065 347 3HB ALA 52 2HB ALA 52 -11.443 10.063 27.059 348 H GLU 53 H GLU 53 -11.857 7.048 27.825 349 HA GLU 53 HA GLU 53 -14.378 7.911 28.903 350 1HB GLU 53 1HB GLU 53 -13.761 6.216 27.031 351 2HB GLU 53 2HB GLU 53 -13.577 5.054 28.346 352 1HG GLU 53 1HG GLU 53 -15.997 6.337 28.900 353 2HG GLU 53 2HG GLU 53 -16.016 6.121 27.151 354 H ALA 54 H ALA 54 -11.750 5.939 30.173 355 HA ALA 54 HA ALA 54 -13.235 4.980 32.495 356 1HB ALA 54 1HB ALA 54 -10.247 5.161 31.976 357 2HB ALA 54 3HB ALA 54 -11.276 3.857 31.383 358 3HB ALA 54 2HB ALA 54 -11.053 4.083 33.117 359 H GLN 55 H GLN 55 -11.733 7.939 31.645 360 HA GLN 55 HA GLN 55 -11.242 8.713 34.480 361 1HB GLN 55 1HB GLN 55 -10.670 10.011 31.795 362 2HB GLN 55 2HB GLN 55 -10.220 10.714 33.349 363 1HG GLN 55 1HG GLN 55 -9.398 7.905 33.032 364 2HG GLN 55 2HG GLN 55 -8.634 9.006 31.885 365 2HE2 GLN 55 2HE2 GLN 55 -7.921 11.208 33.093 366 1HE2 GLN 55 1HE2 GLN 55 -7.096 10.967 34.558 367 H GLY 56 H GLY 56 -13.287 9.480 31.686 368 1HA GLY 56 2HA GLY 56 -14.831 11.347 33.437 369 2HA GLY 56 1HA GLY 56 -15.644 10.133 32.453 370 H TYR 57 H TYR 57 -13.446 10.720 30.308 371 HA TYR 57 HA TYR 57 -14.267 13.445 29.473 372 1HB TYR 57 2HB TYR 57 -12.486 11.494 27.982 373 2HB TYR 57 1HB TYR 57 -12.494 13.253 27.899 374 HD1 TYR 57 HD1 TYR 57 -12.916 13.491 31.030 375 HD2 TYR 57 HD2 TYR 57 -10.074 11.472 28.522 376 HE1 TYR 57 HE1 TYR 57 -11.230 13.614 32.844 377 HE2 TYR 57 HE2 TYR 57 -8.388 11.592 30.335 378 HH TYR 57 HH TYR 57 -9.155 13.148 33.456 379 H ASP 58 H ASP 58 -16.465 13.174 28.865 380 HA ASP 58 HA ASP 58 -17.288 11.047 27.026 381 1HB ASP 58 1HB ASP 58 -18.545 12.464 28.906 382 2HB ASP 58 2HB ASP 58 -18.871 13.539 27.547 383 H TRP 59 H TRP 59 -15.356 11.947 25.583 384 HA TRP 59 HA TRP 59 -15.439 14.327 24.125 385 1HB TRP 59 1HB TRP 59 -14.722 11.511 23.274 386 2HB TRP 59 2HB TRP 59 -14.238 12.963 22.405 387 HD1 TRP 59 HD1 TRP 59 -12.469 10.720 24.182 388 HE1 TRP 59 HE1 TRP 59 -10.723 11.710 25.787 389 HE3 TRP 59 HE3 TRP 59 -14.221 15.508 24.632 390 HZ2 TRP 59 HZ2 TRP 59 -10.119 14.161 27.081 391 HZ3 TRP 59 HZ3 TRP 59 -13.034 17.140 26.060 392 HH2 TRP 59 HH2 TRP 59 -10.979 16.476 27.282 393 HA PRO 60 HA PRO 60 -18.850 14.170 21.386 394 1HB PRO 60 1HB PRO 60 -17.759 15.150 19.070 395 2HB PRO 60 2HB PRO 60 -18.107 16.166 20.482 396 1HG PRO 60 2HG PRO 60 -15.515 14.976 19.588 397 2HG PRO 60 1HG PRO 60 -15.845 16.585 20.249 398 1HD PRO 60 1HD PRO 60 -14.788 14.569 21.722 399 2HD PRO 60 2HD PRO 60 -15.813 15.839 22.421 400 H PHE 61 H PHE 61 -19.673 12.298 20.517 401 HA PHE 61 HA PHE 61 -18.042 10.175 19.465 402 1HB PHE 61 1HB PHE 61 -20.983 10.860 19.512 403 2HB PHE 61 2HB PHE 61 -20.405 9.395 18.717 404 HD1 PHE 61 HD1 PHE 61 -18.879 7.819 20.089 405 HD2 PHE 61 HD2 PHE 61 -21.305 10.898 21.845 406 HE1 PHE 61 HE1 PHE 61 -18.728 6.684 22.288 407 HE2 PHE 61 HE2 PHE 61 -21.154 9.763 24.044 408 HZ PHE 61 HZ PHE 61 -19.865 7.656 24.266 409 H SER 62 H SER 62 -17.997 9.405 17.237 410 HA SER 62 HA SER 62 -19.086 10.975 15.048 411 1HB SER 62 1HB SER 62 -16.605 11.754 16.298 412 2HB SER 62 2HB SER 62 -16.292 11.252 14.637 413 HG SER 62 HG SER 62 -16.858 13.358 14.510 414 H CYS 63 H CYS 63 -19.414 8.344 15.292 415 HA CYS 63 HA CYS 63 -17.831 7.213 13.080 416 1HB CYS 63 1HB CYS 63 -16.873 6.988 15.655 417 2HB CYS 63 2HB CYS 63 -17.786 5.490 15.473 418 H ARG 64 H ARG 64 -18.588 4.791 12.802 419 HA ARG 64 HA ARG 64 -21.513 4.800 12.741 420 1HB ARG 64 1HB ARG 64 -19.474 3.716 11.254 421 2HB ARG 64 2HB ARG 64 -20.020 2.314 12.173 422 1HG ARG 64 1HG ARG 64 -22.416 3.133 11.478 423 2HG ARG 64 2HG ARG 64 -21.549 4.001 10.211 424 1HD ARG 64 1HD ARG 64 -20.580 1.928 9.375 425 2HD ARG 64 2HD ARG 64 -21.271 1.018 10.731 426 HE ARG 64 HE ARG 64 -23.534 1.990 9.794 427 1HH1 ARG 64 1HH1 ARG 64 -21.122 0.159 8.306 428 2HH1 ARG 64 2HH1 ARG 64 -21.830 0.198 6.727 429 1HH2 ARG 64 1HH2 ARG 64 -24.304 2.464 7.604 430 2HH2 ARG 64 2HH2 ARG 64 -23.634 1.501 6.330 431 H ALA 65 H ALA 65 -22.541 2.543 13.449 432 HA ALA 65 HA ALA 65 -22.192 2.334 16.333 433 1HB ALA 65 1HB ALA 65 -24.318 2.111 14.930 434 2HB ALA 65 3HB ALA 65 -24.081 0.863 16.154 435 3HB ALA 65 2HB ALA 65 -23.729 0.515 14.461 436 H GLY 66 H GLY 66 -21.454 0.443 17.472 437 1HA GLY 66 2HA GLY 66 -19.681 -1.324 15.835 438 2HA GLY 66 1HA GLY 66 -20.681 -1.976 17.134 439 H ALA 67 H ALA 67 -20.341 -0.501 19.266 440 HA ALA 67 HA ALA 67 -18.834 0.129 20.977 441 1HB ALA 67 1HB ALA 67 -17.035 -1.723 19.384 442 2HB ALA 67 3HB ALA 67 -18.296 -2.280 20.484 443 3HB ALA 67 2HB ALA 67 -16.920 -1.370 21.108 444 H CYS 68 H CYS 68 -18.741 1.512 18.183 445 HA CYS 68 HA CYS 68 -15.941 2.522 18.203 446 1HB CYS 68 1HB CYS 68 -17.983 1.988 16.277 447 2HB CYS 68 2HB CYS 68 -17.637 3.717 16.222 448 H ALA 69 H ALA 69 -15.541 4.344 19.399 449 HA ALA 69 HA ALA 69 -17.819 6.179 20.019 450 1HB ALA 69 1HB ALA 69 -15.188 6.465 21.353 451 2HB ALA 69 3HB ALA 69 -16.006 4.926 21.622 452 3HB ALA 69 2HB ALA 69 -16.805 6.438 22.056 453 H ASN 70 H ASN 70 -15.875 8.290 20.783 454 HA ASN 70 HA ASN 70 -15.839 9.854 18.425 455 1HB ASN 70 1HB ASN 70 -14.204 11.222 19.757 456 2HB ASN 70 2HB ASN 70 -15.630 10.751 20.683 457 2HD2 ASN 70 2HD2 ASN 70 -12.158 10.150 20.268 458 1HD2 ASN 70 1HD2 ASN 70 -11.963 9.255 21.696 459 H CYS 71 H CYS 71 -13.801 10.646 17.304 460 HA CYS 71 HA CYS 71 -11.404 9.006 17.312 461 1HB CYS 71 1HB CYS 71 -13.564 7.854 16.095 462 2HB CYS 71 2HB CYS 71 -12.831 8.704 14.735 463 H ALA 72 H ALA 72 -10.836 11.409 17.476 464 HA ALA 72 HA ALA 72 -9.869 12.389 14.943 465 1HB ALA 72 1HB ALA 72 -12.444 13.469 16.094 466 2HB ALA 72 3HB ALA 72 -12.126 12.924 14.447 467 3HB ALA 72 2HB ALA 72 -11.444 14.445 15.021 468 H SER 73 H SER 73 -7.978 12.573 16.346 469 HA SER 73 HA SER 73 -8.077 14.987 18.126 470 1HB SER 73 2HB SER 73 -6.236 12.696 18.689 471 2HB SER 73 1HB SER 73 -7.039 13.788 19.817 472 HG SER 73 HG SER 73 -8.116 11.898 19.986 473 H ILE 74 H ILE 74 -6.311 16.380 17.902 474 HA ILE 74 HA ILE 74 -4.406 15.751 15.695 475 HB ILE 74 HB ILE 74 -5.661 18.165 16.932 476 1HG1 ILE 74 1HG1 ILE 74 -6.032 18.772 14.652 477 2HG1 ILE 74 2HG1 ILE 74 -4.807 17.642 14.078 478 1HG2 ILE 74 1HG2 ILE 74 -2.817 18.017 16.139 479 2HG2 ILE 74 2HG2 ILE 74 -3.722 19.331 15.390 480 3HG2 ILE 74 3HG2 ILE 74 -3.644 19.204 17.148 481 1HD1 ILE 74 1HD1 ILE 74 -7.213 16.669 15.615 482 2HD1 ILE 74 2HD1 ILE 74 -7.299 16.941 13.875 483 3HD1 ILE 74 3HD1 ILE 74 -6.161 15.762 14.527 484 H VAL 75 H VAL 75 -2.912 14.438 16.918 485 HA VAL 75 HA VAL 75 -1.837 14.939 19.464 486 HB VAL 75 HB VAL 75 -1.422 12.928 18.130 487 1HG1 VAL 75 1HG1 VAL 75 -0.967 14.739 16.071 488 2HG1 VAL 75 2HG1 VAL 75 0.636 14.083 16.400 489 3HG1 VAL 75 3HG1 VAL 75 -0.693 12.999 15.990 490 1HG2 VAL 75 1HG2 VAL 75 0.255 13.609 19.857 491 2HG2 VAL 75 2HG2 VAL 75 0.970 12.677 18.542 492 3HG2 VAL 75 3HG2 VAL 75 1.173 14.429 18.595 493 H LYS 76 H LYS 76 -0.745 16.714 20.228 494 HA LYS 76 HA LYS 76 0.398 18.667 18.330 495 1HB LYS 76 1HB LYS 76 -1.029 19.070 20.469 496 2HB LYS 76 2HB LYS 76 0.470 18.764 21.345 497 1HG LYS 76 1HG LYS 76 0.706 21.037 21.058 498 2HG LYS 76 2HG LYS 76 1.408 20.508 19.527 499 1HD LYS 76 1HD LYS 76 -1.549 20.830 19.585 500 2HD LYS 76 2HD LYS 76 -0.598 22.312 19.666 501 1HE LYS 76 1HE LYS 76 -0.074 22.160 17.464 502 2HE LYS 76 2HE LYS 76 0.475 20.485 17.662 503 1HZ LYS 76 1HZ LYS 76 -2.399 21.037 17.846 504 2HZ LYS 76 2HZ LYS 76 -1.695 21.058 16.300 505 3HZ LYS 76 3HZ LYS 76 -1.601 19.658 17.257 506 H GLU 77 H GLU 77 1.468 15.922 20.011 507 HA GLU 77 HA GLU 77 4.200 16.209 19.194 508 1HB GLU 77 1HB GLU 77 3.345 17.533 21.653 509 2HB GLU 77 2HB GLU 77 4.658 16.391 21.943 510 1HG GLU 77 1HG GLU 77 5.555 17.582 19.674 511 2HG GLU 77 2HG GLU 77 4.656 18.920 20.391 512 H GLY 78 H GLY 78 5.598 14.491 20.304 513 1HA GLY 78 2HA GLY 78 4.146 12.410 21.786 514 2HA GLY 78 1HA GLY 78 5.859 12.380 21.372 515 H GLU 79 H GLU 79 3.756 10.292 20.986 516 HA GLU 79 HA GLU 79 3.148 10.123 18.155 517 1HB GLU 79 1HB GLU 79 4.889 8.622 17.488 518 2HB GLU 79 2HB GLU 79 5.697 9.919 18.367 519 1HG GLU 79 1HG GLU 79 5.199 8.288 20.436 520 2HG GLU 79 2HG GLU 79 5.260 7.077 19.155 521 H ILE 80 H ILE 80 1.580 8.545 17.898 522 HA ILE 80 HA ILE 80 1.108 6.715 20.223 523 HB ILE 80 HB ILE 80 -0.809 7.539 18.030 524 1HG1 ILE 80 1HG1 ILE 80 -0.447 8.866 20.732 525 2HG1 ILE 80 2HG1 ILE 80 0.186 9.525 19.223 526 1HG2 ILE 80 1HG2 ILE 80 -1.321 5.565 19.533 527 2HG2 ILE 80 2HG2 ILE 80 -1.314 6.687 20.894 528 3HG2 ILE 80 3HG2 ILE 80 -2.506 6.869 19.606 529 1HD1 ILE 80 1HD1 ILE 80 -2.672 8.748 19.163 530 2HD1 ILE 80 2HD1 ILE 80 -2.286 10.114 20.210 531 3HD1 ILE 80 3HD1 ILE 80 -1.879 10.176 18.495 532 H ASP 81 H ASP 81 0.832 4.495 19.829 533 HA ASP 81 HA ASP 81 1.615 3.552 17.098 534 1HB ASP 81 1HB ASP 81 2.769 3.039 19.446 535 2HB ASP 81 2HB ASP 81 1.504 1.814 19.538 536 H MET 82 H MET 82 0.470 1.545 16.343 537 HA MET 82 HA MET 82 -2.230 1.137 17.550 538 1HB MET 82 1HB MET 82 -3.114 1.309 15.153 539 2HB MET 82 2HB MET 82 -2.585 2.825 15.884 540 1HG MET 82 1HG MET 82 -0.360 2.529 14.785 541 2HG MET 82 2HG MET 82 -0.983 1.088 13.982 542 1HE MET 82 1HE MET 82 0.006 2.280 12.012 543 2HE MET 82 2HE MET 82 -0.763 3.568 11.087 544 3HE MET 82 3HE MET 82 0.181 3.965 12.520 545 H ASP 83 H ASP 83 -3.117 -0.940 17.063 546 HA ASP 83 HA ASP 83 -1.251 -3.076 16.633 547 1HB ASP 83 1HB ASP 83 -4.236 -2.731 16.760 548 2HB ASP 83 2HB ASP 83 -3.565 -4.297 16.303 549 H MET 84 H MET 84 -1.891 -4.797 14.821 550 HA MET 84 HA MET 84 -1.089 -3.898 12.304 551 1HB MET 84 2HB MET 84 -3.034 -6.128 12.984 552 2HB MET 84 1HB MET 84 -2.066 -6.021 11.513 553 1HG MET 84 1HG MET 84 -0.235 -5.692 13.618 554 2HG MET 84 2HG MET 84 -1.301 -6.997 14.137 555 1HE MET 84 1HE MET 84 1.506 -5.954 12.876 556 2HE MET 84 2HE MET 84 2.251 -7.532 12.629 557 3HE MET 84 3HE MET 84 1.848 -6.513 11.241 558 H GLN 85 H GLN 85 -2.077 -2.115 11.361 559 HA GLN 85 HA GLN 85 -4.659 -2.403 10.119 560 1HB GLN 85 1HB GLN 85 -5.073 -2.085 12.673 561 2HB GLN 85 2HB GLN 85 -4.624 -0.404 12.380 562 1HG GLN 85 1HG GLN 85 -6.364 -0.689 10.370 563 2HG GLN 85 2HG GLN 85 -7.023 -1.919 11.449 564 2HE2 GLN 85 2HE2 GLN 85 -6.676 1.522 10.947 565 1HE2 GLN 85 1HE2 GLN 85 -7.510 2.012 12.340 566 H GLN 86 H GLN 86 -1.896 -1.459 9.571 567 HA GLN 86 HA GLN 86 -1.487 1.283 9.395 568 1HB GLN 86 1HB GLN 86 -0.927 -1.024 7.529 569 2HB GLN 86 2HB GLN 86 -0.352 0.602 7.164 570 1HG GLN 86 1HG GLN 86 0.249 0.064 9.902 571 2HG GLN 86 2HG GLN 86 0.791 -1.320 8.950 572 2HE2 GLN 86 2HE2 GLN 86 2.580 -1.010 7.513 573 1HE2 GLN 86 1HE2 GLN 86 3.431 0.454 7.401 574 H ILE 87 H ILE 87 -2.794 2.875 8.602 575 HA ILE 87 HA ILE 87 -4.125 2.524 5.988 576 HB ILE 87 HB ILE 87 -5.722 1.553 7.545 577 1HG1 ILE 87 2HG1 ILE 87 -7.398 3.728 7.488 578 2HG1 ILE 87 1HG1 ILE 87 -6.235 4.138 6.228 579 1HG2 ILE 87 1HG2 ILE 87 -4.804 2.594 9.596 580 2HG2 ILE 87 2HG2 ILE 87 -5.454 4.153 9.086 581 3HG2 ILE 87 3HG2 ILE 87 -6.549 2.828 9.481 582 1HD1 ILE 87 1HD1 ILE 87 -7.673 1.475 6.417 583 2HD1 ILE 87 2HD1 ILE 87 -8.189 2.806 5.382 584 3HD1 ILE 87 3HD1 ILE 87 -6.634 2.022 5.100 585 H LEU 88 H LEU 88 -3.622 4.569 8.863 586 HA LEU 88 HA LEU 88 -4.340 7.068 7.634 587 1HB LEU 88 1HB LEU 88 -3.633 6.098 10.130 588 2HB LEU 88 2HB LEU 88 -2.262 7.124 9.710 589 HG LEU 88 HG LEU 88 -4.330 8.713 8.927 590 1HD1 LEU 88 1HD1 LEU 88 -5.330 6.797 10.981 591 2HD1 LEU 88 2HD1 LEU 88 -5.784 8.490 11.172 592 3HD1 LEU 88 3HD1 LEU 88 -6.209 7.624 9.696 593 1HD2 LEU 88 1HD2 LEU 88 -2.585 8.475 11.287 594 2HD2 LEU 88 2HD2 LEU 88 -2.929 9.883 10.281 595 3HD2 LEU 88 3HD2 LEU 88 -4.042 9.427 11.570 596 H SER 89 H SER 89 -2.685 8.839 7.215 597 HA SER 89 HA SER 89 -0.367 7.704 5.704 598 1HB SER 89 1HB SER 89 -2.365 9.273 4.850 599 2HB SER 89 2HB SER 89 -1.291 10.535 5.454 600 HG SER 89 HG SER 89 0.307 9.814 4.099 601 H ASP 90 H ASP 90 1.724 8.411 6.183 602 HA ASP 90 HA ASP 90 2.379 9.360 8.766 603 1HB ASP 90 1HB ASP 90 3.797 8.179 6.998 604 2HB ASP 90 2HB ASP 90 3.998 9.760 6.242 605 H GLU 91 H GLU 91 2.314 11.167 5.688 606 HA GLU 91 HA GLU 91 3.013 13.719 6.679 607 1HB GLU 91 1HB GLU 91 1.669 14.480 4.656 608 2HB GLU 91 2HB GLU 91 2.874 13.238 4.318 609 1HG GLU 91 1HG GLU 91 1.188 12.055 3.384 610 2HG GLU 91 2HG GLU 91 0.619 11.773 5.029 611 H GLU 92 H GLU 92 0.027 11.919 6.952 612 HA GLU 92 HA GLU 92 -1.741 14.100 7.591 613 1HB GLU 92 1HB GLU 92 -1.876 11.373 7.145 614 2HB GLU 92 2HB GLU 92 -2.249 11.497 8.864 615 1HG GLU 92 1HG GLU 92 -4.187 12.697 8.496 616 2HG GLU 92 2HG GLU 92 -3.574 13.432 7.014 617 H VAL 93 H VAL 93 0.198 11.889 9.623 618 HA VAL 93 HA VAL 93 -0.668 13.034 12.138 619 HB VAL 93 HB VAL 93 1.868 11.504 11.491 620 1HG1 VAL 93 1HG1 VAL 93 0.432 12.309 13.927 621 2HG1 VAL 93 2HG1 VAL 93 0.808 10.586 13.870 622 3HG1 VAL 93 3HG1 VAL 93 2.103 11.777 13.732 623 1HG2 VAL 93 1HG2 VAL 93 -0.974 10.711 11.368 624 2HG2 VAL 93 2HG2 VAL 93 0.438 9.954 10.632 625 3HG2 VAL 93 3HG2 VAL 93 0.045 9.635 12.322 626 H GLU 94 H GLU 94 1.947 13.726 9.870 627 HA GLU 94 HA GLU 94 3.242 15.609 11.755 628 1HB GLU 94 1HB GLU 94 3.808 14.296 9.140 629 2HB GLU 94 2HB GLU 94 4.583 15.854 9.427 630 1HG GLU 94 1HG GLU 94 5.777 15.063 11.281 631 2HG GLU 94 2HG GLU 94 4.653 13.731 11.558 632 H GLU 95 H GLU 95 1.141 15.640 8.929 633 HA GLU 95 HA GLU 95 1.363 18.608 8.735 634 1HB GLU 95 1HB GLU 95 1.577 17.044 6.751 635 2HB GLU 95 2HB GLU 95 -0.122 16.630 6.984 636 1HG GLU 95 1HG GLU 95 0.439 19.528 6.933 637 2HG GLU 95 2HG GLU 95 0.751 18.692 5.411 638 H LYS 96 H LYS 96 -0.846 16.036 9.665 639 HA LYS 96 HA LYS 96 -2.966 18.095 10.189 640 1HB LYS 96 1HB LYS 96 -3.011 15.795 8.641 641 2HB LYS 96 2HB LYS 96 -3.752 15.268 10.152 642 1HG LYS 96 1HG LYS 96 -5.617 16.504 9.788 643 2HG LYS 96 2HG LYS 96 -4.683 17.908 9.272 644 1HD LYS 96 1HD LYS 96 -4.246 16.390 7.131 645 2HD LYS 96 2HD LYS 96 -5.756 15.638 7.644 646 1HE LYS 96 1HE LYS 96 -6.969 17.419 6.922 647 2HE LYS 96 2HE LYS 96 -5.894 18.564 7.749 648 1HZ LYS 96 1HZ LYS 96 -4.233 17.930 5.927 649 2HZ LYS 96 2HZ LYS 96 -5.572 17.315 5.084 650 3HZ LYS 96 3HZ LYS 96 -5.509 18.962 5.492 651 H ASP 97 H ASP 97 -0.909 15.657 11.566 652 HA ASP 97 HA ASP 97 -0.545 15.094 13.839 653 1HB ASP 97 2HB ASP 97 -2.676 17.123 14.512 654 2HB ASP 97 1HB ASP 97 -1.230 16.708 15.428 655 H VAL 98 H VAL 98 -3.052 14.252 12.082 656 HA VAL 98 HA VAL 98 -4.910 13.387 14.217 657 HB VAL 98 HB VAL 98 -4.906 12.966 11.211 658 1HG1 VAL 98 1HG1 VAL 98 -7.025 12.652 13.353 659 2HG1 VAL 98 2HG1 VAL 98 -7.388 12.695 11.628 660 3HG1 VAL 98 3HG1 VAL 98 -6.390 11.399 12.287 661 1HG2 VAL 98 1HG2 VAL 98 -4.892 15.378 12.114 662 2HG2 VAL 98 2HG2 VAL 98 -6.212 14.941 11.029 663 3HG2 VAL 98 3HG2 VAL 98 -6.488 15.013 12.770 664 H ARG 99 H ARG 99 -5.167 11.235 14.846 665 HA ARG 99 HA ARG 99 -3.868 9.036 13.405 666 1HB ARG 99 1HB ARG 99 -2.064 10.264 14.712 667 2HB ARG 99 2HB ARG 99 -2.908 9.778 16.183 668 1HG ARG 99 1HG ARG 99 -2.294 7.576 15.967 669 2HG ARG 99 2HG ARG 99 -2.354 7.626 14.205 670 1HD ARG 99 1HD ARG 99 -0.209 8.722 14.082 671 2HD ARG 99 2HD ARG 99 -0.191 9.005 15.833 672 HE ARG 99 HE ARG 99 -0.294 6.413 15.986 673 1HH1 ARG 99 1HH1 ARG 99 1.684 8.353 14.018 674 2HH1 ARG 99 2HH1 ARG 99 2.526 7.027 13.288 675 1HH2 ARG 99 1HH2 ARG 99 0.536 4.603 14.767 676 2HH2 ARG 99 2HH2 ARG 99 1.875 4.903 13.711 677 H LEU 100 H LEU 100 -4.722 7.026 14.089 678 HA LEU 100 HA LEU 100 -7.249 6.778 15.152 679 1HB LEU 100 1HB LEU 100 -4.792 5.031 15.308 680 2HB LEU 100 2HB LEU 100 -6.342 4.476 15.942 681 HG LEU 100 HG LEU 100 -6.129 5.602 13.153 682 1HD1 LEU 100 1HD1 LEU 100 -4.469 3.757 13.384 683 2HD1 LEU 100 2HD1 LEU 100 -5.761 2.700 13.954 684 3HD1 LEU 100 3HD1 LEU 100 -5.800 3.329 12.307 685 1HD2 LEU 100 1HD2 LEU 100 -8.108 4.152 14.818 686 2HD2 LEU 100 2HD2 LEU 100 -8.367 5.317 13.521 687 3HD2 LEU 100 3HD2 LEU 100 -8.004 3.635 13.134 688 H THR 101 H THR 101 -8.182 6.926 17.175 689 HA THR 101 HA THR 101 -6.342 7.306 19.518 690 HB THR 101 HB THR 101 -9.103 8.475 19.354 691 HG1 THR 101 HG1 THR 101 -6.989 9.991 18.397 692 1HG2 THR 101 1HG2 THR 101 -7.489 8.574 21.365 693 2HG2 THR 101 2HG2 THR 101 -6.554 9.710 20.393 694 3HG2 THR 101 3HG2 THR 101 -8.218 10.092 20.838 695 H CYS 102 H CYS 102 -9.045 5.604 18.179 696 HA CYS 102 HA CYS 102 -9.890 4.565 20.837 697 1HB CYS 102 1HB CYS 102 -11.798 3.719 19.576 698 2HB CYS 102 2HB CYS 102 -11.517 5.398 19.115 699 H ILE 103 H ILE 103 -7.654 3.806 18.463 700 HA ILE 103 HA ILE 103 -7.511 0.988 19.413 701 HB ILE 103 HB ILE 103 -8.910 1.020 17.384 702 1HG1 ILE 103 2HG1 ILE 103 -6.704 -0.081 15.973 703 2HG1 ILE 103 1HG1 ILE 103 -6.421 -0.390 17.687 704 1HG2 ILE 103 1HG2 ILE 103 -7.706 3.188 16.578 705 2HG2 ILE 103 2HG2 ILE 103 -6.545 2.079 15.849 706 3HG2 ILE 103 3HG2 ILE 103 -8.240 2.024 15.367 707 1HD1 ILE 103 1HD1 ILE 103 -9.183 -0.853 16.667 708 2HD1 ILE 103 2HD1 ILE 103 -7.944 -2.009 16.180 709 3HD1 ILE 103 3HD1 ILE 103 -8.274 -1.739 17.891 710 H GLY 104 H GLY 104 -5.802 3.210 20.038 711 1HA GLY 104 2HA GLY 104 -3.587 3.816 18.593 712 2HA GLY 104 1HA GLY 104 -3.258 2.137 19.015 713 H SER 105 H SER 105 -1.551 2.544 20.446 714 HA SER 105 HA SER 105 -2.328 3.894 23.006 715 1HB SER 105 1HB SER 105 -0.921 1.447 22.220 716 2HB SER 105 2HB SER 105 -0.021 2.388 23.410 717 HG SER 105 HG SER 105 -2.749 2.108 23.830 718 HA PRO 106 HA PRO 106 0.798 6.908 22.369 719 1HB PRO 106 1HB PRO 106 1.664 7.341 24.928 720 2HB PRO 106 2HB PRO 106 0.092 7.903 24.331 721 1HG PRO 106 1HG PRO 106 0.753 5.535 26.010 722 2HG PRO 106 2HG PRO 106 -0.637 6.624 26.097 723 1HD PRO 106 1HD PRO 106 -0.703 4.127 24.961 724 2HD PRO 106 2HD PRO 106 -1.807 5.447 24.522 725 H ALA 107 H ALA 107 2.692 6.279 21.375 726 HA ALA 107 HA ALA 107 4.398 4.177 22.530 727 1HB ALA 107 1HB ALA 107 3.819 5.305 19.994 728 2HB ALA 107 3HB ALA 107 5.527 5.619 20.296 729 3HB ALA 107 2HB ALA 107 4.913 3.967 20.340 730 H ALA 108 H ALA 108 4.008 7.260 23.432 731 HA ALA 108 HA ALA 108 6.917 7.616 24.056 732 1HB ALA 108 1HB ALA 108 6.112 9.024 22.136 733 2HB ALA 108 3HB ALA 108 6.673 9.981 23.508 734 3HB ALA 108 2HB ALA 108 4.944 9.769 23.228 735 H ASP 109 H ASP 109 7.312 8.501 26.129 736 HA ASP 109 HA ASP 109 5.538 8.015 28.244 737 1HB ASP 109 1HB ASP 109 8.003 9.542 27.725 738 2HB ASP 109 2HB ASP 109 7.078 10.133 29.105 739 H GLU 110 H GLU 110 6.406 11.395 27.581 740 HA GLU 110 HA GLU 110 3.662 12.228 28.307 741 1HB GLU 110 1HB GLU 110 6.195 13.179 28.784 742 2HB GLU 110 2HB GLU 110 5.670 14.223 27.462 743 1HG GLU 110 1HG GLU 110 3.493 13.929 29.303 744 2HG GLU 110 2HG GLU 110 4.936 14.379 30.212 745 H VAL 111 H VAL 111 2.153 12.461 26.707 746 HA VAL 111 HA VAL 111 3.104 13.264 23.974 747 HB VAL 111 HB VAL 111 0.779 11.487 24.783 748 1HG1 VAL 111 1HG1 VAL 111 1.888 12.438 22.145 749 2HG1 VAL 111 2HG1 VAL 111 1.006 10.914 22.255 750 3HG1 VAL 111 3HG1 VAL 111 0.213 12.426 22.698 751 1HG2 VAL 111 1HG2 VAL 111 3.524 10.901 24.734 752 2HG2 VAL 111 2HG2 VAL 111 2.200 9.736 24.755 753 3HG2 VAL 111 3HG2 VAL 111 2.894 10.255 23.218 754 H LYS 112 H LYS 112 1.666 14.685 22.808 755 HA LYS 112 HA LYS 112 -0.428 16.015 24.498 756 1HB LYS 112 1HB LYS 112 1.702 17.145 22.664 757 2HB LYS 112 2HB LYS 112 0.340 18.105 23.244 758 1HG LYS 112 1HG LYS 112 1.029 17.910 25.508 759 2HG LYS 112 2HG LYS 112 2.134 16.584 25.142 760 1HD LYS 112 2HD LYS 112 3.694 18.260 25.170 761 2HD LYS 112 1HD LYS 112 3.147 18.495 23.511 762 1HE LYS 112 1HE LYS 112 1.349 20.068 24.564 763 2HE LYS 112 2HE LYS 112 2.426 20.081 25.974 764 1HZ LYS 112 1HZ LYS 112 3.571 20.416 23.286 765 2HZ LYS 112 2HZ LYS 112 2.809 21.748 24.012 766 3HZ LYS 112 3HZ LYS 112 4.135 21.009 24.774 767 H ILE 113 H ILE 113 -2.348 16.533 23.400 768 HA ILE 113 HA ILE 113 -2.520 16.339 20.471 769 HB ILE 113 HB ILE 113 -2.522 13.991 21.224 770 1HG1 ILE 113 1HG1 ILE 113 -5.353 14.086 20.652 771 2HG1 ILE 113 2HG1 ILE 113 -4.496 15.259 19.652 772 1HG2 ILE 113 1HG2 ILE 113 -4.661 15.057 23.051 773 2HG2 ILE 113 2HG2 ILE 113 -4.670 13.358 22.579 774 3HG2 ILE 113 3HG2 ILE 113 -3.284 14.027 23.441 775 1HD1 ILE 113 1HD1 ILE 113 -2.807 13.165 19.424 776 2HD1 ILE 113 2HD1 ILE 113 -4.319 12.291 19.666 777 3HD1 ILE 113 3HD1 ILE 113 -4.160 13.421 18.322 778 H VAL 114 H VAL 114 -4.466 17.257 19.682 779 HA VAL 114 HA VAL 114 -6.057 18.747 21.719 780 HB VAL 114 HB VAL 114 -5.676 18.971 18.716 781 1HG1 VAL 114 1HG1 VAL 114 -8.002 19.598 19.623 782 2HG1 VAL 114 2HG1 VAL 114 -7.186 20.909 20.475 783 3HG1 VAL 114 3HG1 VAL 114 -7.144 20.842 18.713 784 1HG2 VAL 114 1HG2 VAL 114 -3.858 19.710 20.391 785 2HG2 VAL 114 2HG2 VAL 114 -4.389 20.903 19.205 786 3HG2 VAL 114 3HG2 VAL 114 -4.988 20.980 20.863 787 H TYR 115 H TYR 115 -8.073 17.962 22.217 788 HA TYR 115 HA TYR 115 -9.208 15.769 20.608 789 1HB TYR 115 2HB TYR 115 -10.173 15.216 22.603 790 2HB TYR 115 1HB TYR 115 -9.045 16.387 23.281 791 HD1 TYR 115 HD1 TYR 115 -9.810 18.793 23.597 792 HD2 TYR 115 HD2 TYR 115 -12.497 15.584 22.643 793 HE1 TYR 115 HE1 TYR 115 -11.723 20.188 24.327 794 HE2 TYR 115 HE2 TYR 115 -14.419 16.985 23.365 795 HH TYR 115 HH TYR 115 -14.246 20.268 23.790 796 H ASN 116 H ASN 116 -11.800 15.989 20.431 797 HA ASN 116 HA ASN 116 -13.602 17.092 19.376 798 1HB ASN 116 1HB ASN 116 -12.393 18.843 21.238 799 2HB ASN 116 2HB ASN 116 -12.692 19.805 19.793 800 2HD2 ASN 116 2HD2 ASN 116 -15.057 18.714 18.805 801 1HD2 ASN 116 1HD2 ASN 116 -16.302 18.884 19.945 802 H ALA 117 H ALA 117 -10.987 16.556 17.940 803 HA ALA 117 HA ALA 117 -10.363 18.706 16.154 804 1HB ALA 117 1HB ALA 117 -9.254 16.369 16.718 805 2HB ALA 117 2HB ALA 117 -9.034 17.084 15.120 806 3HB ALA 117 3HB ALA 117 -10.230 15.811 15.359 807 H LYS 118 H LYS 118 -13.136 16.684 16.363 808 HA LYS 118 HA LYS 118 -13.941 16.445 13.650 809 1HB LYS 118 1HB LYS 118 -16.164 16.164 14.629 810 2HB LYS 118 2HB LYS 118 -14.977 15.400 15.686 811 1HG LYS 118 1HG LYS 118 -15.058 17.183 17.249 812 2HG LYS 118 2HG LYS 118 -15.856 18.260 16.102 813 1HD LYS 118 1HD LYS 118 -17.399 15.831 16.488 814 2HD LYS 118 2HD LYS 118 -17.105 16.639 18.027 815 1HE LYS 118 1HE LYS 118 -17.738 18.747 16.325 816 2HE LYS 118 2HE LYS 118 -18.842 17.456 15.813 817 H HIS 119 H HIS 119 -13.653 19.225 15.677 818 HA HIS 119 HA HIS 119 -15.613 20.961 14.524 819 1HB HIS 119 1HB HIS 119 -12.969 21.268 15.943 820 2HB HIS 119 2HB HIS 119 -13.836 22.689 15.360 821 HD1 HIS 119 HD1 HIS 119 -16.572 22.543 16.101 822 HD2 HIS 119 HD2 HIS 119 -13.753 20.634 18.509 823 HE1 HIS 119 HE1 HIS 119 -17.670 22.205 18.358 824 H LEU 120 H LEU 120 -12.284 20.145 13.578 825 HA LEU 120 HA LEU 120 -11.612 22.044 11.696 826 1HB LEU 120 1HB LEU 120 -10.966 19.367 12.331 827 2HB LEU 120 2HB LEU 120 -11.240 19.396 10.589 828 HG LEU 120 HG LEU 120 -9.782 21.664 10.869 829 1HD1 LEU 120 1HD1 LEU 120 -9.603 20.924 13.380 830 2HD1 LEU 120 2HD1 LEU 120 -8.403 19.785 12.769 831 3HD1 LEU 120 3HD1 LEU 120 -8.163 21.518 12.553 832 1HD2 LEU 120 1HD2 LEU 120 -9.290 18.890 10.093 833 2HD2 LEU 120 2HD2 LEU 120 -8.765 20.379 9.309 834 3HD2 LEU 120 3HD2 LEU 120 -7.822 19.701 10.636 835 H ASP 121 H ASP 121 -12.063 22.350 9.431 836 HA ASP 121 HA ASP 121 -14.822 21.899 8.652 837 1HB ASP 121 1HB ASP 121 -12.759 23.622 8.022 838 2HB ASP 121 2HB ASP 121 -12.861 22.617 6.575 839 H TYR 122 H TYR 122 -11.701 20.443 7.754 840 HA TYR 122 HA TYR 122 -12.743 18.774 5.637 841 1HB TYR 122 1HB TYR 122 -10.316 19.573 6.402 842 2HB TYR 122 2HB TYR 122 -10.346 18.043 7.279 843 HD1 TYR 122 HD1 TYR 122 -10.818 19.549 3.893 844 HD2 TYR 122 HD2 TYR 122 -10.000 15.990 6.156 845 HE1 TYR 122 HE1 TYR 122 -10.299 18.334 1.795 846 HE2 TYR 122 HE2 TYR 122 -9.480 14.777 4.057 847 HH TYR 122 HH TYR 122 -9.967 16.280 0.894 848 H LEU 123 H LEU 123 -13.248 18.675 8.962 849 HA LEU 123 HA LEU 123 -13.746 15.713 8.897 850 1HB LEU 123 1HB LEU 123 -12.258 17.447 10.657 851 2HB LEU 123 2HB LEU 123 -13.575 16.694 11.557 852 HG LEU 123 HG LEU 123 -12.574 14.616 9.998 853 1HD1 LEU 123 1HD1 LEU 123 -10.300 16.289 11.109 854 2HD1 LEU 123 2HD1 LEU 123 -10.136 14.655 10.466 855 3HD1 LEU 123 3HD1 LEU 123 -10.616 15.978 9.402 856 1HD2 LEU 123 1HD2 LEU 123 -13.209 14.998 12.577 857 2HD2 LEU 123 2HD2 LEU 123 -12.251 13.615 12.048 858 3HD2 LEU 123 3HD2 LEU 123 -11.452 15.031 12.731 859 H GLN 124 H GLN 124 -14.909 18.861 10.107 860 HA GLN 124 HA GLN 124 -17.300 17.930 11.360 861 1HB GLN 124 1HB GLN 124 -16.064 20.219 11.372 862 2HB GLN 124 2HB GLN 124 -17.010 20.566 9.924 863 1HG GLN 124 1HG GLN 124 -18.990 20.674 11.082 864 2HG GLN 124 2HG GLN 124 -18.493 19.449 12.249 865 2HE2 GLN 124 2HE2 GLN 124 -18.247 20.337 14.297 866 1HE2 GLN 124 1HE2 GLN 124 -17.679 21.902 14.626 867 H ASN 125 H ASN 125 -16.496 18.475 7.991 868 HA ASN 125 HA ASN 125 -19.032 18.828 6.819 869 1HB ASN 125 1HB ASN 125 -16.701 18.820 5.785 870 2HB ASN 125 2HB ASN 125 -16.804 17.059 5.775 871 2HD2 ASN 125 2HD2 ASN 125 -16.651 17.492 3.306 872 1HD2 ASN 125 1HD2 ASN 125 -18.107 17.775 2.480 873 H ARG 126 H ARG 126 -17.662 15.996 8.341 874 HA ARG 126 HA ARG 126 -19.022 13.845 7.218 875 1HB ARG 126 1HB ARG 126 -17.756 14.570 9.700 876 2HB ARG 126 2HB ARG 126 -19.195 13.610 10.049 877 1HG ARG 126 1HG ARG 126 -18.434 11.806 8.667 878 2HG ARG 126 2HG ARG 126 -17.147 12.793 7.975 879 1HD ARG 126 1HD ARG 126 -16.702 12.916 10.744 880 2HD ARG 126 2HD ARG 126 -17.121 11.222 10.425 881 HE ARG 126 HE ARG 126 -15.119 12.618 8.694 882 1HH1 ARG 126 1HH1 ARG 126 -16.222 9.607 9.079 883 2HH1 ARG 126 2HH1 ARG 126 -14.740 8.874 9.598 884 1HH2 ARG 126 1HH2 ARG 126 -13.123 11.894 10.129 885 2HH2 ARG 126 2HH2 ARG 126 -12.987 10.169 10.194 886 H VAL 127 H VAL 127 -20.336 16.373 9.324 887 HA VAL 127 HA VAL 127 -22.884 15.103 9.816 888 HB VAL 127 HB VAL 127 -22.191 18.054 9.767 889 1HG1 VAL 127 1HG1 VAL 127 -24.589 16.898 10.227 890 2HG1 VAL 127 2HG1 VAL 127 -23.903 16.793 11.849 891 3HG1 VAL 127 3HG1 VAL 127 -24.064 18.363 11.059 892 1HG2 VAL 127 1HG2 VAL 127 -21.136 15.870 11.402 893 2HG2 VAL 127 2HG2 VAL 127 -20.586 17.541 11.277 894 3HG2 VAL 127 3HG2 VAL 127 -21.902 17.126 12.375 895 H ILE 128 H ILE 128 -24.730 15.120 8.556 896 HA ILE 128 HA ILE 128 -24.540 16.056 5.789 897 HB ILE 128 HB ILE 128 -26.883 15.095 5.754 898 1HG1 ILE 128 1HG1 ILE 128 -26.571 13.840 8.379 899 2HG1 ILE 128 2HG1 ILE 128 -26.757 15.591 8.485 900 1HG2 ILE 128 1HG2 ILE 128 -24.366 13.786 6.185 901 2HG2 ILE 128 2HG2 ILE 128 -25.631 12.853 6.986 902 3HG2 ILE 128 3HG2 ILE 128 -25.755 13.212 5.263 903 1HD1 ILE 128 1HD1 ILE 128 -28.587 13.785 6.876 904 2HD1 ILE 128 2HD1 ILE 128 -28.941 14.345 8.510 905 3HD1 ILE 128 3HD1 ILE 128 -28.807 15.506 7.189 No H/Q in entry = 905
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