NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16886 | 2aym | 6844 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 H1 ALA 1 11.338 -6.440 -3.722 2 2H ALA 1 H2 ALA 1 11.142 -7.549 -2.542 3 3H ALA 1 H3 ALA 1 10.565 -7.857 -4.052 4 HA ALA 1 HA ALA 1 8.971 -6.120 -3.896 5 1HB ALA 1 HB1 ALA 1 8.244 -8.313 -3.015 6 2HB ALA 1 HB2 ALA 1 8.876 -7.888 -1.406 7 3HB ALA 1 HB3 ALA 1 7.520 -6.978 -2.102 8 H GLN 2 H GLN 2 8.121 -4.284 -2.820 9 HA GLN 2 HA GLN 2 10.070 -2.711 -1.419 10 1HB GLN 2 HB2 GLN 2 7.056 -2.327 -1.778 11 2HB GLN 2 HB3 GLN 2 8.156 -1.124 -1.109 12 1HG GLN 2 HG2 GLN 2 9.400 -1.040 -3.248 13 2HG GLN 2 HG3 GLN 2 8.287 -2.224 -3.945 14 1HE2 GLN 2 HE22 GLN 2 8.565 1.115 -2.661 15 2HE2 GLN 2 HE21 GLN 2 7.118 1.705 -3.459 16 H THR 3 H THR 3 9.839 -1.822 0.747 17 HA THR 3 HA THR 3 7.989 -3.068 2.637 18 HB THR 3 HB THR 3 9.908 -3.216 4.320 19 HG1 THR 3 HG1 THR 3 11.453 -2.115 2.934 20 1HG2 THR 3 HG21 THR 3 10.569 -5.456 3.724 21 2HG2 THR 3 HG22 THR 3 8.869 -5.238 3.281 22 3HG2 THR 3 HG23 THR 3 10.125 -5.198 2.022 23 H GLU 4 H GLU 4 8.221 -1.665 4.786 24 HA GLU 4 HA GLU 4 9.195 1.059 4.254 25 1HB GLU 4 HB2 GLU 4 6.354 0.300 5.011 26 2HB GLU 4 HB3 GLU 4 7.042 1.814 5.589 27 1HG GLU 4 HG2 GLU 4 6.997 1.106 2.635 28 2HG GLU 4 HG3 GLU 4 5.665 1.898 3.453 29 H GLN 5 H GLN 5 9.350 2.242 6.322 30 HA GLN 5 HA GLN 5 9.883 0.678 8.748 31 1HB GLN 5 HB2 GLN 5 11.984 2.068 7.000 32 2HB GLN 5 HB3 GLN 5 12.294 1.578 8.654 33 1HG GLN 5 HG2 GLN 5 11.688 -0.354 6.386 34 2HG GLN 5 HG3 GLN 5 13.274 0.101 6.974 35 1HE2 GLN 5 HE22 GLN 5 10.293 -1.652 7.824 36 2HE2 GLN 5 HE21 GLN 5 10.994 -2.559 9.156 37 HA PRO 6 HA PRO 6 9.800 5.150 10.158 38 1HB PRO 6 HB2 PRO 6 11.868 5.169 11.980 39 2HB PRO 6 HB3 PRO 6 10.219 4.587 12.364 40 1HG PRO 6 HG2 PRO 6 12.639 2.944 11.557 41 2HG PRO 6 HG3 PRO 6 11.512 2.657 12.922 42 1HD PRO 6 HD2 PRO 6 11.245 1.338 10.568 43 2HD PRO 6 HD3 PRO 6 9.810 1.887 11.471 44 HA PRO 7 HA PRO 7 12.695 6.802 7.345 45 1HB PRO 7 HB2 PRO 7 13.828 8.565 9.529 46 2HB PRO 7 HB3 PRO 7 13.407 8.999 7.840 47 1HG PRO 7 HG2 PRO 7 11.681 9.560 9.852 48 2HG PRO 7 HG3 PRO 7 11.066 8.873 8.315 49 1HD PRO 7 HD2 PRO 7 11.566 7.460 10.939 50 2HD PRO 7 HD3 PRO 7 10.213 7.268 9.783 51 H ASN 8 H ASN 8 14.671 6.347 6.458 52 HA ASN 8 HA ASN 8 16.906 5.420 8.140 53 1HB ASN 8 HB2 ASN 8 15.671 3.318 7.657 54 2HB ASN 8 HB3 ASN 8 15.601 3.740 5.945 55 1HD2 ASN 8 HD22 ASN 8 16.840 2.007 5.153 56 2HD2 ASN 8 HD21 ASN 8 18.565 1.872 5.472 57 H GLN 9 H GLN 9 18.878 5.635 7.018 58 HA GLN 9 HA GLN 9 18.904 7.763 5.120 59 1HB GLN 9 HB2 GLN 9 21.237 7.823 5.427 60 2HB GLN 9 HB3 GLN 9 20.508 7.536 6.993 61 1HG GLN 9 HG2 GLN 9 21.038 5.125 6.831 62 2HG GLN 9 HG3 GLN 9 21.756 5.376 5.231 63 1HE2 GLN 9 HE22 GLN 9 23.421 7.485 5.372 64 2HE2 GLN 9 HE21 GLN 9 24.622 7.238 6.623 65 H ILE 10 H ILE 10 17.991 4.835 4.263 66 HA ILE 10 HA ILE 10 19.304 4.943 1.646 67 HB ILE 10 HB ILE 10 18.978 2.309 3.138 68 1HG1 ILE 10 HG12 ILE 10 21.524 3.911 2.651 69 2HG1 ILE 10 HG13 ILE 10 20.794 3.507 4.211 70 1HG2 ILE 10 HG21 ILE 10 20.439 2.891 0.521 71 2HG2 ILE 10 HG22 ILE 10 20.107 1.297 1.243 72 3HG2 ILE 10 HG23 ILE 10 18.792 2.247 0.595 73 1HD1 ILE 10 HD11 ILE 10 21.202 1.079 3.739 74 2HD1 ILE 10 HD12 ILE 10 22.134 1.571 2.301 75 3HD1 ILE 10 HD13 ILE 10 22.667 2.071 3.910 76 H LEU 11 H LEU 11 17.851 4.503 0.071 77 HA LEU 11 HA LEU 11 14.989 4.017 0.806 78 1HB LEU 11 HB2 LEU 11 16.389 6.075 -0.922 79 2HB LEU 11 HB3 LEU 11 14.823 5.483 -1.433 80 HG LEU 11 HG LEU 11 13.675 6.411 0.382 81 1HD1 LEU 11 HD11 LEU 11 14.752 7.625 2.246 82 2HD1 LEU 11 HD12 LEU 11 15.125 5.906 2.264 83 3HD1 LEU 11 HD13 LEU 11 16.348 7.051 1.684 84 1HD2 LEU 11 HD21 LEU 11 14.458 8.002 -1.408 85 2HD2 LEU 11 HD22 LEU 11 14.218 8.798 0.158 86 3HD2 LEU 11 HD23 LEU 11 15.855 8.409 -0.402 87 H PHE 12 H PHE 12 13.851 2.807 -0.708 88 HA PHE 12 HA PHE 12 15.369 1.512 -2.922 89 1HB PHE 12 HB2 PHE 12 14.800 -0.181 -1.232 90 2HB PHE 12 HB3 PHE 12 13.131 0.387 -1.186 91 HD1 PHE 12 HD1 PHE 12 15.619 -0.654 -3.841 92 HD2 PHE 12 HD2 PHE 12 11.581 -0.931 -2.376 93 HE1 PHE 12 HE1 PHE 12 15.095 -2.285 -5.622 94 HE2 PHE 12 HE2 PHE 12 11.073 -2.626 -4.126 95 HZ PHE 12 HZ PHE 12 12.827 -3.294 -5.762 96 H LEU 13 H LEU 13 14.344 1.687 -4.877 97 HA LEU 13 HA LEU 13 11.931 3.434 -4.987 98 1HB LEU 13 HB2 LEU 13 14.667 3.646 -6.277 99 2HB LEU 13 HB3 LEU 13 13.255 4.136 -7.180 100 HG LEU 13 HG LEU 13 12.610 5.724 -5.384 101 1HD1 LEU 13 HD11 LEU 13 15.325 4.920 -4.245 102 2HD1 LEU 13 HD12 LEU 13 14.503 6.445 -3.842 103 3HD1 LEU 13 HD13 LEU 13 13.747 4.901 -3.436 104 1HD2 LEU 13 HD21 LEU 13 13.861 6.379 -7.439 105 2HD2 LEU 13 HD22 LEU 13 14.291 7.373 -6.048 106 3HD2 LEU 13 HD23 LEU 13 15.389 6.084 -6.583 107 H THR 14 H THR 14 10.548 3.011 -6.668 108 HA THR 14 HA THR 14 11.119 0.777 -8.535 109 HB THR 14 HB THR 14 8.866 -0.211 -7.935 110 HG1 THR 14 HG1 THR 14 9.188 1.298 -5.556 111 1HG2 THR 14 HG21 THR 14 11.008 -1.219 -7.074 112 2HG2 THR 14 HG22 THR 14 10.809 -0.269 -5.595 113 3HG2 THR 14 HG23 THR 14 9.599 -1.492 -6.043 114 H ASN 15 H ASN 15 9.144 0.517 -10.055 115 HA ASN 15 HA ASN 15 8.041 1.323 -11.800 116 1HB ASN 15 HB2 ASN 15 6.377 1.850 -10.019 117 2HB ASN 15 HB3 ASN 15 7.023 3.494 -9.943 118 1HD2 ASN 15 HD22 ASN 15 5.638 4.874 -11.003 119 2HD2 ASN 15 HD21 ASN 15 4.689 4.451 -12.428 120 H LEU 16 H LEU 16 10.727 2.075 -11.598 121 HA LEU 16 HA LEU 16 10.985 4.868 -12.509 122 1HB LEU 16 HB2 LEU 16 13.130 2.738 -12.451 123 2HB LEU 16 HB3 LEU 16 13.339 4.475 -12.414 124 HG LEU 16 HG LEU 16 12.230 2.765 -10.151 125 1HD1 LEU 16 HD11 LEU 16 14.864 4.240 -10.406 126 2HD1 LEU 16 HD12 LEU 16 14.307 3.246 -9.035 127 3HD1 LEU 16 HD13 LEU 16 14.639 2.498 -10.607 128 1HD2 LEU 16 HD21 LEU 16 11.339 5.205 -10.326 129 2HD2 LEU 16 HD22 LEU 16 12.023 4.675 -8.814 130 3HD2 LEU 16 HD23 LEU 16 13.005 5.674 -9.905 131 HA PRO 17 HA PRO 17 11.019 3.977 -16.922 132 1HB PRO 17 HB2 PRO 17 13.861 4.921 -17.006 133 2HB PRO 17 HB3 PRO 17 12.487 5.352 -18.061 134 1HG PRO 17 HG2 PRO 17 13.394 6.970 -16.043 135 2HG PRO 17 HG3 PRO 17 11.664 6.899 -16.492 136 1HD PRO 17 HD2 PRO 17 13.004 5.779 -14.101 137 2HD PRO 17 HD3 PRO 17 11.316 6.255 -14.330 138 H GLU 18 H GLU 18 11.715 2.232 -18.278 139 HA GLU 18 HA GLU 18 13.337 0.117 -17.110 140 1HB GLU 18 HB2 GLU 18 12.150 0.489 -19.898 141 2HB GLU 18 HB3 GLU 18 12.951 -0.983 -19.328 142 1HG GLU 18 HG2 GLU 18 11.270 -1.196 -17.505 143 2HG GLU 18 HG3 GLU 18 10.416 0.215 -18.135 144 H GLU 19 H GLU 19 14.378 2.981 -18.043 145 HA GLU 19 HA GLU 19 16.861 2.055 -19.236 146 1HB GLU 19 HB2 GLU 19 15.296 4.516 -20.134 147 2HB GLU 19 HB3 GLU 19 16.807 3.917 -20.832 148 1HG GLU 19 HG2 GLU 19 15.572 1.815 -21.511 149 2HG GLU 19 HG3 GLU 19 14.072 2.582 -20.967 150 H THR 20 H THR 20 15.755 3.160 -16.485 151 HA THR 20 HA THR 20 16.902 5.701 -15.990 152 HB THR 20 HB THR 20 16.592 3.486 -13.934 153 HG1 THR 20 HG1 THR 20 14.618 3.468 -14.802 154 1HG2 THR 20 HG21 THR 20 17.519 5.684 -13.124 155 2HG2 THR 20 HG22 THR 20 16.103 6.509 -13.826 156 3HG2 THR 20 HG23 THR 20 15.896 5.366 -12.486 157 H ASN 21 H ASN 21 18.898 6.277 -15.008 158 HA ASN 21 HA ASN 21 21.043 4.240 -15.038 159 1HB ASN 21 HB2 ASN 21 21.073 5.392 -17.236 160 2HB ASN 21 HB3 ASN 21 21.087 6.963 -16.431 161 1HD2 ASN 21 HD22 ASN 21 23.019 3.961 -16.940 162 2HD2 ASN 21 HD21 ASN 21 24.547 4.704 -16.555 163 H GLU 22 H GLU 22 22.894 4.938 -13.735 164 HA GLU 22 HA GLU 22 22.389 5.998 -11.224 165 1HB GLU 22 HB2 GLU 22 24.357 4.654 -11.986 166 2HB GLU 22 HB3 GLU 22 24.967 6.068 -12.847 167 1HG GLU 22 HG2 GLU 22 25.081 7.278 -10.618 168 2HG GLU 22 HG3 GLU 22 24.620 5.760 -9.839 169 H MET 23 H MET 23 23.472 7.728 -14.145 170 HA MET 23 HA MET 23 24.001 10.210 -12.865 171 1HB MET 23 HB2 MET 23 24.826 9.516 -15.122 172 2HB MET 23 HB3 MET 23 23.181 9.701 -15.757 173 1HG MET 23 HG2 MET 23 23.221 12.101 -15.160 174 2HG MET 23 HG3 MET 23 24.834 11.910 -14.465 175 1HE MET 23 HE1 MET 23 25.649 13.991 -15.869 176 2HE MET 23 HE2 MET 23 25.449 14.139 -17.629 177 3HE MET 23 HE3 MET 23 24.022 14.157 -16.569 178 H MET 24 H MET 24 20.982 8.830 -14.137 179 HA MET 24 HA MET 24 19.527 11.321 -14.261 180 1HB MET 24 HB2 MET 24 18.548 8.425 -14.050 181 2HB MET 24 HB3 MET 24 17.494 9.825 -14.253 182 1HG MET 24 HG2 MET 24 18.438 10.369 -16.365 183 2HG MET 24 HG3 MET 24 19.778 9.241 -16.145 184 1HE MET 24 HE1 MET 24 15.880 8.538 -15.508 185 2HE MET 24 HE2 MET 24 15.948 9.621 -16.920 186 3HE MET 24 HE3 MET 24 15.436 7.930 -17.116 187 H LEU 25 H LEU 25 19.591 8.657 -11.871 188 HA LEU 25 HA LEU 25 17.813 10.134 -10.123 189 1HB LEU 25 HB2 LEU 25 19.612 7.772 -9.447 190 2HB LEU 25 HB3 LEU 25 18.332 8.440 -8.430 191 HG LEU 25 HG LEU 25 18.106 6.855 -10.990 192 1HD1 LEU 25 HD11 LEU 25 16.629 5.483 -9.564 193 2HD1 LEU 25 HD12 LEU 25 18.224 5.691 -8.819 194 3HD1 LEU 25 HD13 LEU 25 16.847 6.634 -8.224 195 1HD2 LEU 25 HD21 LEU 25 15.972 8.653 -9.767 196 2HD2 LEU 25 HD22 LEU 25 16.567 8.644 -11.451 197 3HD2 LEU 25 HD23 LEU 25 15.598 7.292 -10.858 198 H SER 26 H SER 26 21.385 9.876 -10.393 199 HA SER 26 HA SER 26 21.929 11.229 -7.925 200 1HB SER 26 HB2 SER 26 23.547 11.238 -10.510 201 2HB SER 26 HB3 SER 26 24.125 11.695 -8.896 202 HG SER 26 HG SER 26 23.326 9.163 -9.874 203 H MET 27 H MET 27 21.417 12.432 -11.306 204 HA MET 27 HA MET 27 21.732 15.162 -10.753 205 1HB MET 27 HB2 MET 27 21.675 14.159 -12.996 206 2HB MET 27 HB3 MET 27 19.971 13.754 -12.799 207 1HG MET 27 HG2 MET 27 20.255 15.725 -14.160 208 2HG MET 27 HG3 MET 27 19.361 16.074 -12.686 209 1HE MET 27 HE1 MET 27 23.741 17.428 -13.500 210 2HE MET 27 HE2 MET 27 23.355 15.749 -13.077 211 3HE MET 27 HE3 MET 27 22.763 16.439 -14.607 212 H LEU 28 H LEU 28 18.855 13.037 -10.383 213 HA LEU 28 HA LEU 28 17.117 15.237 -9.662 214 1HB LEU 28 HB2 LEU 28 16.845 12.235 -9.275 215 2HB LEU 28 HB3 LEU 28 15.599 13.392 -8.817 216 HG LEU 28 HG LEU 28 16.654 13.042 -11.654 217 1HD1 LEU 28 HD11 LEU 28 15.380 11.074 -10.833 218 2HD1 LEU 28 HD12 LEU 28 14.014 12.144 -10.436 219 3HD1 LEU 28 HD13 LEU 28 14.532 11.934 -12.123 220 1HD2 LEU 28 HD21 LEU 28 14.333 14.699 -10.584 221 2HD2 LEU 28 HD22 LEU 28 15.811 15.314 -11.360 222 3HD2 LEU 28 HD23 LEU 28 14.661 14.379 -12.302 223 H PHE 29 H PHE 29 18.590 12.669 -7.594 224 HA PHE 29 HA PHE 29 17.483 13.999 -5.270 225 1HB PHE 29 HB2 PHE 29 19.295 11.589 -5.640 226 2HB PHE 29 HB3 PHE 29 18.881 12.246 -4.061 227 HD1 PHE 29 HD1 PHE 29 16.853 11.854 -2.966 228 HD2 PHE 29 HD2 PHE 29 17.349 10.650 -7.074 229 HE1 PHE 29 HE1 PHE 29 14.752 10.542 -2.833 230 HE2 PHE 29 HE2 PHE 29 15.260 9.343 -6.939 231 HZ PHE 29 HZ PHE 29 13.951 9.290 -4.824 232 H ASN 30 H ASN 30 20.740 14.181 -6.777 233 HA ASN 30 HA ASN 30 22.057 15.026 -4.433 234 1HB ASN 30 HB2 ASN 30 23.910 15.473 -5.642 235 2HB ASN 30 HB3 ASN 30 23.108 14.381 -6.748 236 1HD2 ASN 30 HD22 ASN 30 21.693 15.561 -8.470 237 2HD2 ASN 30 HD21 ASN 30 22.251 17.116 -9.065 238 H GLN 31 H GLN 31 19.664 16.739 -6.140 239 HA GLN 31 HA GLN 31 20.378 19.431 -5.646 240 1HB GLN 31 HB2 GLN 31 17.656 18.057 -5.695 241 2HB GLN 31 HB3 GLN 31 17.904 19.806 -5.711 242 1HG GLN 31 HG2 GLN 31 19.140 19.638 -7.851 243 2HG GLN 31 HG3 GLN 31 18.898 17.888 -7.868 244 1HE2 GLN 31 HE22 GLN 31 16.591 17.101 -7.838 245 2HE2 GLN 31 HE21 GLN 31 15.375 18.064 -8.670 246 H PHE 32 H PHE 32 19.246 16.848 -3.456 247 HA PHE 32 HA PHE 32 18.569 18.766 -1.340 248 1HB PHE 32 HB2 PHE 32 18.706 15.739 -1.201 249 2HB PHE 32 HB3 PHE 32 17.918 16.818 -0.059 250 HD1 PHE 32 HD1 PHE 32 16.084 18.490 -1.275 251 HD2 PHE 32 HD2 PHE 32 17.335 14.639 -2.757 252 HE1 PHE 32 HE1 PHE 32 14.076 18.378 -2.732 253 HE2 PHE 32 HE2 PHE 32 15.334 14.522 -4.176 254 HZ PHE 32 HZ PHE 32 13.730 16.406 -4.225 255 HA PRO 33 HA PRO 33 22.816 18.684 0.014 256 1HB PRO 33 HB2 PRO 33 22.671 20.086 2.359 257 2HB PRO 33 HB3 PRO 33 22.320 20.809 0.769 258 1HG PRO 33 HG2 PRO 33 20.326 19.682 2.758 259 2HG PRO 33 HG3 PRO 33 20.302 21.285 1.959 260 1HD PRO 33 HD2 PRO 33 18.889 19.159 0.989 261 2HD PRO 33 HD3 PRO 33 19.652 20.359 -0.099 262 H GLY 34 H GLY 34 21.337 16.217 0.523 263 1HA GLY 34 HA2 GLY 34 22.866 15.187 2.857 264 2HA GLY 34 HA3 GLY 34 21.130 14.851 2.718 265 H PHE 35 H PHE 35 21.965 14.848 -0.460 266 HA PHE 35 HA PHE 35 21.820 12.101 -0.846 267 1HB PHE 35 HB2 PHE 35 21.343 13.779 -2.532 268 2HB PHE 35 HB3 PHE 35 22.985 14.403 -2.455 269 HD1 PHE 35 HD1 PHE 35 24.814 13.352 -3.669 270 HD2 PHE 35 HD2 PHE 35 20.864 11.634 -3.696 271 HE1 PHE 35 HE1 PHE 35 25.443 11.903 -5.592 272 HE2 PHE 35 HE2 PHE 35 21.480 10.237 -5.638 273 HZ PHE 35 HZ PHE 35 23.773 10.338 -6.566 274 H LYS 36 H LYS 36 23.338 10.579 -1.402 275 HA LYS 36 HA LYS 36 26.234 11.221 -1.049 276 1HB LYS 36 HB2 LYS 36 24.924 8.638 -0.117 277 2HB LYS 36 HB3 LYS 36 26.628 8.985 -0.059 278 1HG LYS 36 HG2 LYS 36 24.739 10.781 1.486 279 2HG LYS 36 HG3 LYS 36 25.039 9.140 2.047 280 1HD LYS 36 HD2 LYS 36 26.501 10.679 3.204 281 2HD LYS 36 HD3 LYS 36 27.397 9.512 2.242 282 1HE LYS 36 HE2 LYS 36 28.497 11.565 1.947 283 2HE LYS 36 HE3 LYS 36 27.629 11.244 0.436 284 1HZ LYS 36 HZ1 LYS 36 26.065 12.913 0.972 285 2HZ LYS 36 HZ2 LYS 36 26.503 12.986 2.552 286 3HZ LYS 36 HZ3 LYS 36 27.496 13.576 1.384 287 H GLU 37 H GLU 37 23.907 8.663 -2.228 288 HA GLU 37 HA GLU 37 25.245 8.621 -4.822 289 1HB GLU 37 HB2 GLU 37 26.700 7.336 -2.930 290 2HB GLU 37 HB3 GLU 37 25.553 6.047 -3.255 291 1HG GLU 37 HG2 GLU 37 26.216 6.088 -5.657 292 2HG GLU 37 HG3 GLU 37 27.247 7.480 -5.355 293 H VAL 38 H VAL 38 24.468 6.479 -6.039 294 HA VAL 38 HA VAL 38 21.931 5.429 -5.035 295 HB VAL 38 HB VAL 38 20.707 5.677 -7.035 296 1HG1 VAL 38 HG11 VAL 38 20.387 8.029 -7.291 297 2HG1 VAL 38 HG12 VAL 38 20.852 7.757 -5.613 298 3HG1 VAL 38 HG13 VAL 38 22.043 8.386 -6.779 299 1HG2 VAL 38 HG21 VAL 38 23.145 6.865 -8.402 300 2HG2 VAL 38 HG22 VAL 38 22.413 5.269 -8.729 301 3HG2 VAL 38 HG23 VAL 38 21.518 6.734 -9.098 302 H ARG 39 H ARG 39 21.356 3.404 -6.248 303 HA ARG 39 HA ARG 39 23.569 2.131 -7.734 304 1HB ARG 39 HB2 ARG 39 23.915 1.364 -5.442 305 2HB ARG 39 HB3 ARG 39 22.218 0.945 -5.270 306 1HG ARG 39 HG2 ARG 39 23.646 -1.015 -5.568 307 2HG ARG 39 HG3 ARG 39 22.437 -0.902 -6.844 308 1HD ARG 39 HD2 ARG 39 24.061 -0.287 -8.488 309 2HD ARG 39 HD3 ARG 39 25.228 0.207 -7.257 310 HE ARG 39 HE ARG 39 25.990 -1.899 -7.041 311 1HH1 ARG 39 HH21 ARG 39 22.948 -2.138 -8.902 312 2HH1 ARG 39 HH22 ARG 39 23.098 -3.849 -9.123 313 1HH2 ARG 39 HH11 ARG 39 26.192 -4.131 -7.432 314 2HH2 ARG 39 HH12 ARG 39 25.002 -4.984 -8.335 315 H LEU 40 H LEU 40 22.544 1.942 -9.639 316 HA LEU 40 HA LEU 40 19.679 1.354 -9.865 317 1HB LEU 40 HB2 LEU 40 21.988 1.915 -11.744 318 2HB LEU 40 HB3 LEU 40 20.682 0.950 -12.377 319 HG LEU 40 HG LEU 40 20.479 3.347 -12.894 320 1HD1 LEU 40 HD11 LEU 40 18.063 3.565 -12.217 321 2HD1 LEU 40 HD12 LEU 40 18.492 2.061 -13.048 322 3HD1 LEU 40 HD13 LEU 40 18.227 2.072 -11.296 323 1HD2 LEU 40 HD21 LEU 40 19.775 3.811 -9.973 324 2HD2 LEU 40 HD22 LEU 40 21.350 4.195 -10.695 325 3HD2 LEU 40 HD23 LEU 40 19.892 5.007 -11.285 326 H VAL 41 H VAL 41 19.137 -0.537 -11.298 327 HA VAL 41 HA VAL 41 20.806 -2.954 -10.736 328 HB VAL 41 HB VAL 41 17.814 -2.797 -11.125 329 1HG1 VAL 41 HG11 VAL 41 18.774 -4.912 -11.967 330 2HG1 VAL 41 HG12 VAL 41 19.660 -5.137 -10.440 331 3HG1 VAL 41 HG13 VAL 41 17.887 -5.198 -10.471 332 1HG2 VAL 41 HG21 VAL 41 18.354 -1.915 -8.922 333 2HG2 VAL 41 HG22 VAL 41 17.795 -3.570 -8.697 334 3HG2 VAL 41 HG23 VAL 41 19.528 -3.217 -8.628 335 HA PRO 42 HA PRO 42 21.158 -1.668 -15.047 336 1HB PRO 42 HB2 PRO 42 23.733 -2.484 -15.602 337 2HB PRO 42 HB3 PRO 42 23.343 -1.065 -14.593 338 1HG PRO 42 HG2 PRO 42 23.916 -3.895 -13.649 339 2HG PRO 42 HG3 PRO 42 24.699 -2.372 -13.106 340 1HD PRO 42 HD2 PRO 42 22.642 -3.449 -11.725 341 2HD PRO 42 HD3 PRO 42 22.747 -1.675 -11.958 342 H ASN 43 H ASN 43 19.910 -4.112 -14.238 343 HA ASN 43 HA ASN 43 19.898 -5.412 -16.820 344 1HB ASN 43 HB2 ASN 43 19.718 -7.662 -15.964 345 2HB ASN 43 HB3 ASN 43 21.210 -6.954 -15.371 346 1HD2 ASN 43 HD22 ASN 43 21.480 -6.718 -13.089 347 2HD2 ASN 43 HD21 ASN 43 20.284 -7.260 -11.941 348 H ARG 44 H ARG 44 18.195 -3.749 -14.433 349 HA ARG 44 HA ARG 44 15.636 -4.592 -15.715 350 1HB ARG 44 HB2 ARG 44 16.324 -4.548 -12.770 351 2HB ARG 44 HB3 ARG 44 14.759 -3.942 -13.265 352 1HG ARG 44 HG2 ARG 44 14.342 -6.102 -14.510 353 2HG ARG 44 HG3 ARG 44 15.855 -6.719 -13.834 354 1HD ARG 44 HD2 ARG 44 13.977 -7.509 -12.517 355 2HD ARG 44 HD3 ARG 44 14.944 -6.392 -11.537 356 HE ARG 44 HE ARG 44 13.058 -4.727 -12.623 357 1HH1 ARG 44 HH21 ARG 44 12.759 -7.741 -10.753 358 2HH1 ARG 44 HH22 ARG 44 11.233 -7.313 -10.073 359 1HH2 ARG 44 HH11 ARG 44 11.084 -4.166 -11.776 360 2HH2 ARG 44 HH12 ARG 44 10.243 -5.220 -10.674 361 H HIS 45 H HIS 45 17.407 -2.123 -13.874 362 HA HIS 45 HA HIS 45 17.346 0.037 -13.657 363 1HB HIS 45 HB2 HIS 45 15.792 0.309 -16.227 364 2HB HIS 45 HB3 HIS 45 16.883 1.465 -15.485 365 HD1 HIS 45 HD1 HIS 45 16.896 -0.549 -18.375 366 HD2 HIS 45 HD2 HIS 45 19.583 0.060 -15.191 367 HE1 HIS 45 HE1 HIS 45 19.190 -1.314 -19.209 368 H ASP 46 H ASP 46 14.162 -1.429 -14.106 369 HA ASP 46 HA ASP 46 12.656 0.930 -13.592 370 1HB ASP 46 HB2 ASP 46 10.753 -0.395 -13.725 371 2HB ASP 46 HB3 ASP 46 11.885 -1.158 -14.838 372 H ILE 47 H ILE 47 14.550 -0.863 -11.499 373 HA ILE 47 HA ILE 47 13.314 0.456 -9.219 374 HB ILE 47 HB ILE 47 13.420 -1.325 -7.754 375 1HG1 ILE 47 HG12 ILE 47 15.598 -2.274 -8.257 376 2HG1 ILE 47 HG13 ILE 47 14.360 -3.487 -8.011 377 1HG2 ILE 47 HG21 ILE 47 12.416 -2.618 -10.313 378 2HG2 ILE 47 HG22 ILE 47 11.992 -3.085 -8.653 379 3HG2 ILE 47 HG23 ILE 47 11.498 -1.507 -9.299 380 1HD1 ILE 47 HD11 ILE 47 15.864 -4.138 -9.777 381 2HD1 ILE 47 HD12 ILE 47 14.245 -3.909 -10.435 382 3HD1 ILE 47 HD13 ILE 47 15.495 -2.671 -10.708 383 H ALA 48 H ALA 48 14.909 0.884 -7.503 384 HA ALA 48 HA ALA 48 17.777 0.724 -8.137 385 1HB ALA 48 HB1 ALA 48 18.109 3.135 -8.196 386 2HB ALA 48 HB2 ALA 48 16.971 2.704 -9.483 387 3HB ALA 48 HB3 ALA 48 16.375 3.427 -7.972 388 H PHE 49 H PHE 49 18.984 1.961 -6.394 389 HA PHE 49 HA PHE 49 17.459 2.282 -3.876 390 1HB PHE 49 HB2 PHE 49 20.212 1.022 -4.210 391 2HB PHE 49 HB3 PHE 49 19.524 1.516 -2.675 392 HD1 PHE 49 HD1 PHE 49 18.114 0.063 -1.430 393 HD2 PHE 49 HD2 PHE 49 18.991 -0.817 -5.570 394 HE1 PHE 49 HE1 PHE 49 17.082 -2.183 -1.186 395 HE2 PHE 49 HE2 PHE 49 17.876 -3.022 -5.351 396 HZ PHE 49 HZ PHE 49 16.959 -3.727 -3.136 397 H VAL 50 H VAL 50 18.274 4.015 -2.591 398 HA VAL 50 HA VAL 50 20.269 5.842 -3.830 399 HB VAL 50 HB VAL 50 17.459 6.503 -2.855 400 1HG1 VAL 50 HG11 VAL 50 18.937 8.291 -2.145 401 2HG1 VAL 50 HG12 VAL 50 19.672 8.393 -3.758 402 3HG1 VAL 50 HG13 VAL 50 17.969 8.841 -3.512 403 1HG2 VAL 50 HG21 VAL 50 18.699 6.718 -5.616 404 2HG2 VAL 50 HG22 VAL 50 17.422 5.605 -5.099 405 3HG2 VAL 50 HG23 VAL 50 17.102 7.341 -5.148 406 H GLU 51 H GLU 51 21.529 6.926 -2.270 407 HA GLU 51 HA GLU 51 21.236 6.003 0.549 408 1HB GLU 51 HB2 GLU 51 22.873 4.608 -0.603 409 2HB GLU 51 HB3 GLU 51 23.708 6.032 -1.242 410 1HG GLU 51 HG2 GLU 51 24.370 6.723 1.016 411 2HG GLU 51 HG3 GLU 51 23.414 5.424 1.731 412 H PHE 52 H PHE 52 21.645 7.501 2.036 413 HA PHE 52 HA PHE 52 22.372 10.267 1.247 414 1HB PHE 52 HB2 PHE 52 19.827 9.106 2.264 415 2HB PHE 52 HB3 PHE 52 20.388 10.509 3.151 416 HD1 PHE 52 HD1 PHE 52 19.948 9.423 -0.431 417 HD2 PHE 52 HD2 PHE 52 19.591 12.576 2.480 418 HE1 PHE 52 HE1 PHE 52 19.049 10.922 -2.174 419 HE2 PHE 52 HE2 PHE 52 18.673 14.083 0.733 420 HZ PHE 52 HZ PHE 52 18.456 13.269 -1.608 421 H THR 53 H THR 53 22.717 11.596 3.116 422 HA THR 53 HA THR 53 24.683 10.529 4.901 423 HB THR 53 HB THR 53 23.208 13.205 4.809 424 HG1 THR 53 HG1 THR 53 24.221 12.926 2.924 425 1HG2 THR 53 HG21 THR 53 25.791 12.429 6.205 426 2HG2 THR 53 HG22 THR 53 25.219 14.103 5.959 427 3HG2 THR 53 HG23 THR 53 24.269 12.980 6.950 428 H THR 54 H THR 54 21.347 11.849 5.400 429 HA THR 54 HA THR 54 21.264 10.537 8.047 430 HB THR 54 HB THR 54 20.029 12.921 8.510 431 HG1 THR 54 HG1 THR 54 21.397 14.541 7.701 432 1HG2 THR 54 HG21 THR 54 23.010 12.366 8.780 433 2HG2 THR 54 HG22 THR 54 22.101 13.617 9.660 434 3HG2 THR 54 HG23 THR 54 21.739 11.906 9.930 435 H GLU 55 H GLU 55 19.414 9.931 8.720 436 HA GLU 55 HA GLU 55 17.539 8.919 6.907 437 1HB GLU 55 HB2 GLU 55 16.961 9.462 9.852 438 2HB GLU 55 HB3 GLU 55 16.240 8.256 8.798 439 1HG GLU 55 HG2 GLU 55 17.673 6.897 9.904 440 2HG GLU 55 HG3 GLU 55 18.745 7.370 8.597 441 H LEU 56 H LEU 56 17.400 11.920 8.824 442 HA LEU 56 HA LEU 56 14.682 12.603 8.198 443 1HB LEU 56 HB2 LEU 56 17.089 14.028 9.343 444 2HB LEU 56 HB3 LEU 56 15.732 14.993 8.758 445 HG LEU 56 HG LEU 56 14.168 13.824 10.241 446 1HD1 LEU 56 HD11 LEU 56 16.626 12.376 11.328 447 2HD1 LEU 56 HD12 LEU 56 15.023 12.394 12.094 448 3HD1 LEU 56 HD13 LEU 56 15.226 11.632 10.518 449 1HD2 LEU 56 HD21 LEU 56 14.963 14.824 12.347 450 2HD2 LEU 56 HD22 LEU 56 16.609 14.947 11.685 451 3HD2 LEU 56 HD23 LEU 56 15.284 15.897 10.978 452 H GLN 57 H GLN 57 17.822 13.435 6.620 453 HA GLN 57 HA GLN 57 16.553 15.224 4.713 454 1HB GLN 57 HB2 GLN 57 19.261 13.816 4.566 455 2HB GLN 57 HB3 GLN 57 18.684 15.114 3.508 456 1HG GLN 57 HG2 GLN 57 18.320 16.467 5.723 457 2HG GLN 57 HG3 GLN 57 19.368 15.251 6.461 458 1HE2 GLN 57 HE22 GLN 57 21.629 15.100 5.663 459 2HE2 GLN 57 HE21 GLN 57 22.325 16.443 4.748 460 H SER 58 H SER 58 17.425 11.776 4.778 461 HA SER 58 HA SER 58 16.629 11.061 2.164 462 1HB SER 58 HB2 SER 58 16.151 9.350 4.634 463 2HB SER 58 HB3 SER 58 16.509 8.846 2.983 464 HG SER 58 HG SER 58 18.283 10.192 4.773 465 H ASN 59 H ASN 59 14.660 11.283 5.198 466 HA ASN 59 HA ASN 59 12.190 10.605 4.003 467 1HB ASN 59 HB2 ASN 59 12.504 10.640 6.434 468 2HB ASN 59 HB3 ASN 59 12.771 12.380 6.400 469 1HD2 ASN 59 HD22 ASN 59 10.980 13.402 7.247 470 2HD2 ASN 59 HD21 ASN 59 9.330 12.973 6.883 471 H ALA 60 H ALA 60 13.723 13.823 4.417 472 HA ALA 60 HA ALA 60 11.596 15.306 3.246 473 1HB ALA 60 HB1 ALA 60 14.579 15.932 3.171 474 2HB ALA 60 HB2 ALA 60 13.251 17.074 2.892 475 3HB ALA 60 HB3 ALA 60 13.463 16.344 4.496 476 H ALA 61 H ALA 61 14.410 13.743 1.697 477 HA ALA 61 HA ALA 61 13.782 14.603 -0.962 478 1HB ALA 61 HB1 ALA 61 16.004 13.747 -0.298 479 2HB ALA 61 HB2 ALA 61 15.313 12.123 -0.058 480 3HB ALA 61 HB3 ALA 61 15.318 12.859 -1.674 481 H LYS 62 H LYS 62 12.852 11.676 0.901 482 HA LYS 62 HA LYS 62 11.408 10.351 -1.145 483 1HB LYS 62 HB2 LYS 62 12.022 9.291 0.974 484 2HB LYS 62 HB3 LYS 62 11.004 10.409 1.877 485 1HG LYS 62 HG2 LYS 62 8.982 9.485 0.805 486 2HG LYS 62 HG3 LYS 62 9.991 8.359 -0.121 487 1HD LYS 62 HD2 LYS 62 10.827 7.369 2.011 488 2HD LYS 62 HD3 LYS 62 9.813 8.514 2.918 489 1HE LYS 62 HE2 LYS 62 7.793 7.568 1.743 490 2HE LYS 62 HE3 LYS 62 8.834 6.351 0.993 491 1HZ LYS 62 HZ1 LYS 62 9.385 5.568 3.249 492 2HZ LYS 62 HZ2 LYS 62 8.374 6.690 3.902 493 3HZ LYS 62 HZ3 LYS 62 7.797 5.468 2.979 494 H GLU 63 H GLU 63 10.226 12.705 1.344 495 HA GLU 63 HA GLU 63 7.576 12.842 0.387 496 1HB GLU 63 HB2 GLU 63 9.332 14.897 1.795 497 2HB GLU 63 HB3 GLU 63 7.618 15.153 1.500 498 1HG GLU 63 HG2 GLU 63 8.681 12.766 3.070 499 2HG GLU 63 HG3 GLU 63 8.276 14.307 3.807 500 H ALA 64 H ALA 64 10.476 14.614 -0.643 501 HA ALA 64 HA ALA 64 9.149 16.479 -2.326 502 1HB ALA 64 HB1 ALA 64 12.011 15.451 -2.426 503 2HB ALA 64 HB2 ALA 64 11.409 16.949 -3.162 504 3HB ALA 64 HB3 ALA 64 11.425 16.777 -1.392 505 H LEU 65 H LEU 65 10.598 13.252 -3.075 506 HA LEU 65 HA LEU 65 9.801 13.663 -5.928 507 1HB LEU 65 HB2 LEU 65 12.056 12.043 -4.711 508 2HB LEU 65 HB3 LEU 65 11.607 11.998 -6.412 509 HG LEU 65 HG LEU 65 12.672 14.416 -4.921 510 1HD1 LEU 65 HD11 LEU 65 14.350 12.684 -5.416 511 2HD1 LEU 65 HD12 LEU 65 13.860 12.661 -7.117 512 3HD1 LEU 65 HD13 LEU 65 14.622 14.112 -6.429 513 1HD2 LEU 65 HD21 LEU 65 12.791 15.497 -7.170 514 2HD2 LEU 65 HD22 LEU 65 11.875 14.139 -7.854 515 3HD2 LEU 65 HD23 LEU 65 11.131 15.222 -6.654 516 H GLN 66 H GLN 66 8.638 11.855 -3.309 517 HA GLN 66 HA GLN 66 7.959 9.465 -4.730 518 1HB GLN 66 HB2 GLN 66 6.673 10.979 -2.450 519 2HB GLN 66 HB3 GLN 66 5.734 9.743 -3.294 520 1HG GLN 66 HG2 GLN 66 7.563 8.089 -2.914 521 2HG GLN 66 HG3 GLN 66 8.397 9.268 -1.912 522 1HE2 GLN 66 HE22 GLN 66 7.151 6.558 -1.189 523 2HE2 GLN 66 HE21 GLN 66 5.955 6.922 0.026 524 H GLY 67 H GLY 67 6.718 9.098 -6.406 525 1HA GLY 67 HA2 GLY 67 4.999 9.254 -7.915 526 2HA GLY 67 HA3 GLY 67 4.409 10.729 -7.140 527 H PHE 68 H PHE 68 7.789 11.001 -7.835 528 HA PHE 68 HA PHE 68 7.245 13.137 -9.703 529 1HB PHE 68 HB2 PHE 68 9.096 13.232 -8.099 530 2HB PHE 68 HB3 PHE 68 9.836 11.801 -8.814 531 HD1 PHE 68 HD1 PHE 68 11.131 11.934 -10.861 532 HD2 PHE 68 HD2 PHE 68 9.077 15.406 -9.326 533 HE1 PHE 68 HE1 PHE 68 12.403 13.384 -12.421 534 HE2 PHE 68 HE2 PHE 68 10.361 16.850 -10.884 535 HZ PHE 68 HZ PHE 68 12.028 15.842 -12.433 536 H LYS 69 H LYS 69 6.943 12.909 -11.867 537 HA LYS 69 HA LYS 69 7.421 10.419 -13.288 538 1HB LYS 69 HB2 LYS 69 6.492 13.174 -14.045 539 2HB LYS 69 HB3 LYS 69 7.388 12.291 -15.279 540 1HG LYS 69 HG2 LYS 69 5.110 11.828 -15.650 541 2HG LYS 69 HG3 LYS 69 5.895 10.366 -15.076 542 1HD LYS 69 HD2 LYS 69 4.994 10.896 -12.748 543 2HD LYS 69 HD3 LYS 69 4.011 12.160 -13.492 544 1HE LYS 69 HE2 LYS 69 4.030 9.217 -14.324 545 2HE LYS 69 HE3 LYS 69 2.885 9.903 -13.157 546 1HZ LYS 69 HZ1 LYS 69 2.159 11.429 -14.986 547 2HZ LYS 69 HZ2 LYS 69 3.052 10.521 -16.041 548 3HZ LYS 69 HZ3 LYS 69 1.810 9.858 -15.233 549 H ILE 70 H ILE 70 9.418 9.641 -13.415 550 HA ILE 70 HA ILE 70 11.802 11.347 -13.763 551 HB ILE 70 HB ILE 70 11.389 8.375 -14.156 552 1HG1 ILE 70 HG12 ILE 70 12.729 9.858 -11.852 553 2HG1 ILE 70 HG13 ILE 70 11.069 9.269 -11.800 554 1HG2 ILE 70 HG21 ILE 70 13.883 8.297 -14.128 555 2HG2 ILE 70 HG22 ILE 70 13.307 9.308 -15.456 556 3HG2 ILE 70 HG23 ILE 70 13.929 10.066 -13.978 557 1HD1 ILE 70 HD11 ILE 70 11.824 6.958 -12.132 558 2HD1 ILE 70 HD12 ILE 70 13.522 7.499 -12.118 559 3HD1 ILE 70 HD13 ILE 70 12.513 7.698 -10.685 560 H THR 71 H THR 71 9.601 9.241 -15.764 561 HA THR 71 HA THR 71 9.866 11.156 -17.964 562 HB THR 71 HB THR 71 9.739 9.250 -19.580 563 HG1 THR 71 HG1 THR 71 10.535 7.234 -18.805 564 1HG2 THR 71 HG21 THR 71 11.922 10.387 -19.108 565 2HG2 THR 71 HG22 THR 71 12.275 9.143 -17.888 566 3HG2 THR 71 HG23 THR 71 12.111 8.697 -19.599 567 HA PRO 72 HA PRO 72 5.688 11.580 -17.865 568 1HB PRO 72 HB2 PRO 72 5.290 10.164 -20.509 569 2HB PRO 72 HB3 PRO 72 4.528 11.679 -19.923 570 1HG PRO 72 HG2 PRO 72 6.680 11.827 -21.540 571 2HG PRO 72 HG3 PRO 72 6.608 12.868 -20.079 572 1HD PRO 72 HD2 PRO 72 8.113 10.290 -20.490 573 2HD PRO 72 HD3 PRO 72 8.643 11.790 -19.669 574 H THR 73 H THR 73 6.467 8.168 -18.338 575 HA THR 73 HA THR 73 3.843 7.398 -17.193 576 HB THR 73 HB THR 73 4.363 5.228 -18.520 577 HG1 THR 73 HG1 THR 73 5.820 5.455 -20.187 578 1HG2 THR 73 HG21 THR 73 3.471 6.137 -20.608 579 2HG2 THR 73 HG22 THR 73 2.657 6.894 -19.232 580 3HG2 THR 73 HG23 THR 73 3.907 7.790 -20.123 581 H HIS 74 H HIS 74 6.746 7.947 -16.008 582 HA HIS 74 HA HIS 74 6.805 5.478 -14.333 583 1HB HIS 74 HB2 HIS 74 9.184 6.887 -15.579 584 2HB HIS 74 HB3 HIS 74 9.232 5.548 -14.425 585 HD1 HIS 74 HD1 HIS 74 8.841 6.219 -18.087 586 HD2 HIS 74 HD2 HIS 74 8.155 3.116 -15.333 587 HE1 HIS 74 HE1 HIS 74 8.470 4.098 -19.471 588 H ALA 75 H ALA 75 5.450 6.860 -13.056 589 HA ALA 75 HA ALA 75 6.549 9.078 -11.545 590 1HB ALA 75 HB1 ALA 75 4.632 8.631 -10.042 591 2HB ALA 75 HB2 ALA 75 4.113 8.741 -11.725 592 3HB ALA 75 HB3 ALA 75 4.252 7.153 -10.942 593 H MET 76 H MET 76 8.433 8.670 -10.538 594 HA MET 76 HA MET 76 9.538 6.391 -9.485 595 1HB MET 76 HB2 MET 76 10.572 8.648 -9.756 596 2HB MET 76 HB3 MET 76 9.635 9.242 -8.394 597 1HG MET 76 HG2 MET 76 10.773 7.453 -6.976 598 2HG MET 76 HG3 MET 76 11.833 7.150 -8.351 599 1HE MET 76 HE1 MET 76 13.610 9.032 -9.296 600 2HE MET 76 HE2 MET 76 12.271 10.188 -9.510 601 3HE MET 76 HE3 MET 76 13.723 10.661 -8.606 602 H LYS 77 H LYS 77 8.671 4.941 -8.047 603 HA LYS 77 HA LYS 77 7.113 5.965 -5.704 604 1HB LYS 77 HB2 LYS 77 7.741 3.206 -6.793 605 2HB LYS 77 HB3 LYS 77 7.110 3.465 -5.157 606 1HG LYS 77 HG2 LYS 77 5.155 4.703 -6.246 607 2HG LYS 77 HG3 LYS 77 5.722 4.064 -7.798 608 1HD LYS 77 HD2 LYS 77 5.002 2.381 -5.351 609 2HD LYS 77 HD3 LYS 77 3.904 2.699 -6.698 610 1HE LYS 77 HE2 LYS 77 5.239 1.471 -8.244 611 2HE LYS 77 HE3 LYS 77 6.621 1.413 -7.142 612 1HZ LYS 77 HZ1 LYS 77 5.450 -0.079 -5.727 613 2HZ LYS 77 HZ2 LYS 77 4.061 0.034 -6.610 614 3HZ LYS 77 HZ3 LYS 77 5.386 -0.682 -7.240 615 H ILE 78 H ILE 78 8.057 5.745 -3.625 616 HA ILE 78 HA ILE 78 10.920 4.988 -3.449 617 HB ILE 78 HB ILE 78 9.734 7.499 -2.220 618 1HG1 ILE 78 HG12 ILE 78 11.563 7.404 -4.643 619 2HG1 ILE 78 HG13 ILE 78 9.866 7.878 -4.647 620 1HG2 ILE 78 HG21 ILE 78 12.627 6.600 -2.379 621 2HG2 ILE 78 HG22 ILE 78 12.028 8.056 -1.569 622 3HG2 ILE 78 HG23 ILE 78 11.600 6.489 -0.939 623 1HD1 ILE 78 HD11 ILE 78 12.160 9.375 -3.338 624 2HD1 ILE 78 HD12 ILE 78 11.177 9.851 -4.721 625 3HD1 ILE 78 HD13 ILE 78 10.440 9.772 -3.113 626 H THR 79 H THR 79 11.336 3.978 -1.514 627 HA THR 79 HA THR 79 9.396 3.947 0.705 628 HB THR 79 HB THR 79 10.056 1.305 0.514 629 HG1 THR 79 HG1 THR 79 10.912 1.865 -1.725 630 1HG2 THR 79 HG21 THR 79 7.704 2.591 -0.949 631 2HG2 THR 79 HG22 THR 79 7.779 0.933 -0.299 632 3HG2 THR 79 HG23 THR 79 7.781 2.313 0.793 633 H PHE 80 H PHE 80 10.510 3.166 2.737 634 HA PHE 80 HA PHE 80 13.349 3.940 2.679 635 1HB PHE 80 HB2 PHE 80 11.538 2.892 4.876 636 2HB PHE 80 HB3 PHE 80 13.248 3.247 5.107 637 HD1 PHE 80 HD1 PHE 80 10.076 4.599 5.601 638 HD2 PHE 80 HD2 PHE 80 13.987 5.695 4.158 639 HE1 PHE 80 HE1 PHE 80 9.580 6.992 6.049 640 HE2 PHE 80 HE2 PHE 80 13.453 8.088 4.515 641 HZ PHE 80 HZ PHE 80 11.236 8.738 5.450 642 H ALA 81 H ALA 81 15.042 2.590 2.441 643 HA ALA 81 HA ALA 81 14.607 -0.315 2.118 644 1HB ALA 81 HB1 ALA 81 16.118 0.902 0.534 645 2HB ALA 81 HB2 ALA 81 17.160 1.319 1.915 646 3HB ALA 81 HB3 ALA 81 16.947 -0.370 1.429 647 H LYS 82 H LYS 82 16.913 -1.334 3.295 648 HA LYS 82 HA LYS 82 16.641 -0.664 6.188 649 1HB LYS 82 HB2 LYS 82 16.383 -3.419 4.898 650 2HB LYS 82 HB3 LYS 82 16.464 -3.111 6.637 651 1HG LYS 82 HG2 LYS 82 14.418 -1.761 6.534 652 2HG LYS 82 HG3 LYS 82 14.267 -2.030 4.804 653 1HD LYS 82 HD2 LYS 82 14.039 -4.115 6.997 654 2HD LYS 82 HD3 LYS 82 12.735 -3.478 6.004 655 1HE LYS 82 HE2 LYS 82 15.041 -5.249 5.078 656 2HE LYS 82 HE3 LYS 82 13.359 -5.724 5.287 657 1HZ LYS 82 HZ1 LYS 82 12.788 -4.133 3.477 658 2HZ LYS 82 HZ2 LYS 82 14.379 -3.850 3.234 659 3HZ LYS 82 HZ3 LYS 82 13.776 -5.340 2.989 660 H LYS 83 H LYS 83 18.408 -1.522 7.476 661 HA LYS 83 HA LYS 83 20.753 -2.636 6.256 662 1HB LYS 83 HB2 LYS 83 22.269 -0.836 7.082 663 2HB LYS 83 HB3 LYS 83 21.307 -0.367 5.687 664 1HG LYS 83 HG2 LYS 83 19.786 0.934 7.086 665 2HG LYS 83 HG3 LYS 83 20.616 0.419 8.558 666 1HD LYS 83 HD2 LYS 83 21.952 2.006 6.323 667 2HD LYS 83 HD3 LYS 83 21.184 2.742 7.738 668 1HE LYS 83 HE2 LYS 83 22.714 1.607 9.257 669 2HE LYS 83 HE3 LYS 83 23.454 0.716 7.924 670 1HZ LYS 83 HZ1 LYS 83 24.319 2.773 7.057 671 2HZ LYS 83 HZ2 LYS 83 23.566 3.676 8.200 672 3HZ LYS 83 HZ3 LYS 83 24.760 2.642 8.616 Start of MODEL 2 1 1H ALA 1 H1 ALA 1 2.757 -5.128 -1.140 2 2H ALA 1 H2 ALA 1 2.591 -4.416 0.323 3 3H ALA 1 H3 ALA 1 1.279 -4.634 -0.636 4 HA ALA 1 HA ALA 1 2.112 -3.149 -2.278 5 1HB ALA 1 HB1 ALA 1 0.656 -2.152 -0.602 6 2HB ALA 1 HB2 ALA 1 2.023 -1.888 0.499 7 3HB ALA 1 HB3 ALA 1 1.936 -1.013 -1.044 8 H GLN 2 H GLN 2 4.128 -2.098 0.535 9 HA GLN 2 HA GLN 2 6.606 -2.806 -0.805 10 1HB GLN 2 HB2 GLN 2 7.490 -0.507 -0.813 11 2HB GLN 2 HB3 GLN 2 6.139 -0.670 -1.925 12 1HG GLN 2 HG2 GLN 2 4.618 0.351 -0.199 13 2HG GLN 2 HG3 GLN 2 6.017 0.581 0.857 14 1HE2 GLN 2 HE22 GLN 2 7.974 1.552 -1.039 15 2HE2 GLN 2 HE21 GLN 2 7.442 3.147 -1.443 16 H THR 3 H THR 3 8.405 -2.611 0.724 17 HA THR 3 HA THR 3 7.573 -3.053 3.469 18 HB THR 3 HB THR 3 10.117 -3.556 3.630 19 HG1 THR 3 HG1 THR 3 10.865 -2.542 1.808 20 1HG2 THR 3 HG21 THR 3 9.853 -5.724 2.506 21 2HG2 THR 3 HG22 THR 3 8.394 -5.311 3.418 22 3HG2 THR 3 HG23 THR 3 8.410 -5.136 1.649 23 H GLU 4 H GLU 4 6.787 -0.589 3.303 24 HA GLU 4 HA GLU 4 8.813 1.439 3.689 25 1HB GLU 4 HB2 GLU 4 6.504 1.897 2.866 26 2HB GLU 4 HB3 GLU 4 5.864 1.470 4.461 27 1HG GLU 4 HG2 GLU 4 7.067 3.355 5.477 28 2HG GLU 4 HG3 GLU 4 7.918 3.675 3.964 29 H GLN 5 H GLN 5 9.312 2.476 5.741 30 HA GLN 5 HA GLN 5 9.011 0.901 8.198 31 1HB GLN 5 HB2 GLN 5 11.630 1.473 6.707 32 2HB GLN 5 HB3 GLN 5 11.610 1.024 8.393 33 1HG GLN 5 HG2 GLN 5 10.594 -0.741 6.138 34 2HG GLN 5 HG3 GLN 5 12.172 -0.837 6.888 35 1HE2 GLN 5 HE22 GLN 5 8.681 -1.334 7.446 36 2HE2 GLN 5 HE21 GLN 5 8.880 -2.379 8.844 37 HA PRO 6 HA PRO 6 9.831 5.135 9.820 38 1HB PRO 6 HB2 PRO 6 11.790 4.715 11.754 39 2HB PRO 6 HB3 PRO 6 10.031 4.499 12.005 40 1HG PRO 6 HG2 PRO 6 12.093 2.389 11.309 41 2HG PRO 6 HG3 PRO 6 10.814 2.319 12.565 42 1HD PRO 6 HD2 PRO 6 10.449 1.132 10.176 43 2HD PRO 6 HD3 PRO 6 9.112 2.029 10.933 44 HA PRO 7 HA PRO 7 12.977 6.649 7.290 45 1HB PRO 7 HB2 PRO 7 14.128 8.167 9.648 46 2HB PRO 7 HB3 PRO 7 13.841 8.748 7.979 47 1HG PRO 7 HG2 PRO 7 12.049 9.311 9.918 48 2HG PRO 7 HG3 PRO 7 11.471 8.758 8.312 49 1HD PRO 7 HD2 PRO 7 11.738 7.165 10.865 50 2HD PRO 7 HD3 PRO 7 10.438 7.144 9.637 51 H ASN 8 H ASN 8 14.997 6.253 6.458 52 HA ASN 8 HA ASN 8 17.237 5.378 8.132 53 1HB ASN 8 HB2 ASN 8 16.198 3.210 7.628 54 2HB ASN 8 HB3 ASN 8 16.016 3.662 5.929 55 1HD2 ASN 8 HD22 ASN 8 17.351 2.191 4.922 56 2HD2 ASN 8 HD21 ASN 8 19.084 2.094 5.215 57 H GLN 9 H GLN 9 19.233 5.664 6.942 58 HA GLN 9 HA GLN 9 19.118 7.923 5.135 59 1HB GLN 9 HB2 GLN 9 21.442 8.082 5.445 60 2HB GLN 9 HB3 GLN 9 20.744 7.667 7.003 61 1HG GLN 9 HG2 GLN 9 21.374 5.267 6.617 62 2HG GLN 9 HG3 GLN 9 22.153 5.740 5.096 63 1HE2 GLN 9 HE22 GLN 9 23.721 7.801 5.456 64 2HE2 GLN 9 HE21 GLN 9 24.818 7.590 6.806 65 H ILE 10 H ILE 10 18.410 4.896 4.227 66 HA ILE 10 HA ILE 10 19.695 5.193 1.602 67 HB ILE 10 HB ILE 10 19.585 2.497 3.011 68 1HG1 ILE 10 HG12 ILE 10 21.944 4.379 2.697 69 2HG1 ILE 10 HG13 ILE 10 21.247 3.750 4.194 70 1HG2 ILE 10 HG21 ILE 10 20.882 1.682 1.105 71 2HG2 ILE 10 HG22 ILE 10 19.449 2.472 0.490 72 3HG2 ILE 10 HG23 ILE 10 21.004 3.324 0.437 73 1HD1 ILE 10 HD11 ILE 10 21.971 1.437 3.476 74 2HD1 ILE 10 HD12 ILE 10 22.889 2.215 2.162 75 3HD1 ILE 10 HD13 ILE 10 23.278 2.583 3.848 76 H LEU 11 H LEU 11 18.336 4.515 -0.023 77 HA LEU 11 HA LEU 11 15.505 3.918 0.712 78 1HB LEU 11 HB2 LEU 11 16.580 5.777 -1.450 79 2HB LEU 11 HB3 LEU 11 14.886 5.409 -1.153 80 HG LEU 11 HG LEU 11 16.729 6.894 0.776 81 1HD1 LEU 11 HD11 LEU 11 15.416 8.880 0.180 82 2HD1 LEU 11 HD12 LEU 11 16.237 8.204 -1.234 83 3HD1 LEU 11 HD13 LEU 11 14.497 7.936 -1.008 84 1HD2 LEU 11 HD21 LEU 11 15.060 5.748 2.059 85 2HD2 LEU 11 HD22 LEU 11 14.549 7.433 1.950 86 3HD2 LEU 11 HD23 LEU 11 13.761 6.211 0.933 87 H PHE 12 H PHE 12 14.448 2.599 -0.764 88 HA PHE 12 HA PHE 12 16.040 1.354 -2.959 89 1HB PHE 12 HB2 PHE 12 15.535 -0.352 -1.265 90 2HB PHE 12 HB3 PHE 12 13.852 0.159 -1.205 91 HD1 PHE 12 HD1 PHE 12 12.304 -1.171 -2.416 92 HD2 PHE 12 HD2 PHE 12 16.351 -0.845 -3.860 93 HE1 PHE 12 HE1 PHE 12 11.814 -2.831 -4.190 94 HE2 PHE 12 HE2 PHE 12 15.845 -2.460 -5.661 95 HZ PHE 12 HZ PHE 12 13.579 -3.470 -5.831 96 H LEU 13 H LEU 13 14.989 1.459 -4.939 97 HA LEU 13 HA LEU 13 12.514 3.122 -5.037 98 1HB LEU 13 HB2 LEU 13 15.241 3.490 -6.282 99 2HB LEU 13 HB3 LEU 13 13.836 3.814 -7.268 100 HG LEU 13 HG LEU 13 12.957 5.375 -5.516 101 1HD1 LEU 13 HD11 LEU 13 14.720 6.344 -3.965 102 2HD1 LEU 13 HD12 LEU 13 14.164 4.725 -3.531 103 3HD1 LEU 13 HD13 LEU 13 15.731 4.927 -4.326 104 1HD2 LEU 13 HD21 LEU 13 14.368 7.191 -6.230 105 2HD2 LEU 13 HD22 LEU 13 15.688 6.081 -6.646 106 3HD2 LEU 13 HD23 LEU 13 14.178 6.089 -7.587 107 H THR 14 H THR 14 11.156 2.716 -6.680 108 HA THR 14 HA THR 14 11.537 0.368 -8.444 109 HB THR 14 HB THR 14 9.160 -0.250 -7.609 110 HG1 THR 14 HG1 THR 14 8.688 0.433 -5.514 111 1HG2 THR 14 HG21 THR 14 9.986 -1.560 -5.722 112 2HG2 THR 14 HG22 THR 14 11.200 -1.572 -7.019 113 3HG2 THR 14 HG23 THR 14 11.428 -0.534 -5.596 114 H ASN 15 H ASN 15 9.567 0.154 -9.896 115 HA ASN 15 HA ASN 15 8.381 0.869 -11.616 116 1HB ASN 15 HB2 ASN 15 6.836 1.433 -9.701 117 2HB ASN 15 HB3 ASN 15 7.391 3.106 -9.826 118 1HD2 ASN 15 HD22 ASN 15 5.971 4.361 -11.010 119 2HD2 ASN 15 HD21 ASN 15 4.912 3.756 -12.278 120 H LEU 16 H LEU 16 11.088 1.929 -11.364 121 HA LEU 16 HA LEU 16 11.115 4.644 -12.415 122 1HB LEU 16 HB2 LEU 16 13.363 2.626 -12.500 123 2HB LEU 16 HB3 LEU 16 13.497 4.367 -12.478 124 HG LEU 16 HG LEU 16 12.627 2.639 -10.130 125 1HD1 LEU 16 HD11 LEU 16 15.199 4.169 -10.627 126 2HD1 LEU 16 HD12 LEU 16 14.803 3.171 -9.208 127 3HD1 LEU 16 HD13 LEU 16 15.005 2.425 -10.801 128 1HD2 LEU 16 HD21 LEU 16 13.333 5.580 -10.029 129 2HD2 LEU 16 HD22 LEU 16 11.651 5.022 -10.233 130 3HD2 LEU 16 HD23 LEU 16 12.539 4.579 -8.796 131 HA PRO 17 HA PRO 17 10.980 3.863 -16.848 132 1HB PRO 17 HB2 PRO 17 13.829 4.806 -16.971 133 2HB PRO 17 HB3 PRO 17 12.451 5.205 -18.046 134 1HG PRO 17 HG2 PRO 17 13.231 6.910 -16.108 135 2HG PRO 17 HG3 PRO 17 11.483 6.624 -16.407 136 1HD PRO 17 HD2 PRO 17 13.209 5.557 -14.208 137 2HD PRO 17 HD3 PRO 17 11.496 6.050 -14.163 138 H GLU 18 H GLU 18 11.754 2.448 -18.523 139 HA GLU 18 HA GLU 18 13.226 0.085 -17.656 140 1HB GLU 18 HB2 GLU 18 12.852 -0.677 -19.958 141 2HB GLU 18 HB3 GLU 18 11.358 -0.087 -19.232 142 1HG GLU 18 HG2 GLU 18 11.586 2.062 -20.449 143 2HG GLU 18 HG3 GLU 18 13.107 1.517 -21.156 144 H GLU 19 H GLU 19 14.287 3.122 -18.321 145 HA GLU 19 HA GLU 19 16.839 2.268 -19.400 146 1HB GLU 19 HB2 GLU 19 16.724 4.139 -20.977 147 2HB GLU 19 HB3 GLU 19 15.304 3.100 -21.141 148 1HG GLU 19 HG2 GLU 19 13.929 4.683 -19.875 149 2HG GLU 19 HG3 GLU 19 15.319 5.734 -19.611 150 H THR 20 H THR 20 15.739 3.289 -16.589 151 HA THR 20 HA THR 20 16.858 5.801 -16.018 152 HB THR 20 HB THR 20 16.941 3.630 -13.948 153 HG1 THR 20 HG1 THR 20 15.017 3.040 -14.273 154 1HG2 THR 20 HG21 THR 20 15.845 5.380 -12.591 155 2HG2 THR 20 HG22 THR 20 17.322 6.010 -13.333 156 3HG2 THR 20 HG23 THR 20 15.734 6.435 -14.015 157 H ASN 21 H ASN 21 18.862 6.411 -15.159 158 HA ASN 21 HA ASN 21 21.046 4.431 -15.211 159 1HB ASN 21 HB2 ASN 21 21.085 5.564 -17.415 160 2HB ASN 21 HB3 ASN 21 21.051 7.142 -16.628 161 1HD2 ASN 21 HD22 ASN 21 23.067 4.201 -17.122 162 2HD2 ASN 21 HD21 ASN 21 24.568 4.979 -16.701 163 H GLU 22 H GLU 22 22.873 5.199 -13.888 164 HA GLU 22 HA GLU 22 22.251 6.224 -11.385 165 1HB GLU 22 HB2 GLU 22 24.279 4.928 -12.169 166 2HB GLU 22 HB3 GLU 22 24.908 6.428 -12.857 167 1HG GLU 22 HG2 GLU 22 24.817 7.435 -10.529 168 2HG GLU 22 HG3 GLU 22 24.325 5.846 -9.926 169 H MET 23 H MET 23 23.254 7.987 -14.298 170 HA MET 23 HA MET 23 23.757 10.516 -13.126 171 1HB MET 23 HB2 MET 23 24.452 9.880 -15.401 172 2HB MET 23 HB3 MET 23 22.761 9.818 -15.916 173 1HG MET 23 HG2 MET 23 23.810 11.887 -16.648 174 2HG MET 23 HG3 MET 23 22.512 12.221 -15.511 175 1HE MET 23 HE1 MET 23 23.155 14.647 -15.014 176 2HE MET 23 HE2 MET 23 24.815 15.205 -14.713 177 3HE MET 23 HE3 MET 23 24.386 14.508 -16.291 178 H MET 24 H MET 24 20.703 9.009 -14.161 179 HA MET 24 HA MET 24 19.170 11.453 -14.197 180 1HB MET 24 HB2 MET 24 18.163 8.571 -13.857 181 2HB MET 24 HB3 MET 24 17.187 9.994 -14.226 182 1HG MET 24 HG2 MET 24 18.576 10.298 -16.315 183 2HG MET 24 HG3 MET 24 19.367 8.765 -15.921 184 1HE MET 24 HE1 MET 24 15.603 10.103 -15.960 185 2HE MET 24 HE2 MET 24 16.313 10.523 -17.533 186 3HE MET 24 HE3 MET 24 15.029 9.300 -17.436 187 H LEU 25 H LEU 25 19.484 8.783 -11.850 188 HA LEU 25 HA LEU 25 17.721 10.128 -9.994 189 1HB LEU 25 HB2 LEU 25 19.670 7.848 -9.486 190 2HB LEU 25 HB3 LEU 25 18.411 8.394 -8.381 191 HG LEU 25 HG LEU 25 18.081 7.004 -11.067 192 1HD1 LEU 25 HD11 LEU 25 17.226 6.364 -8.217 193 2HD1 LEU 25 HD12 LEU 25 16.858 5.376 -9.653 194 3HD1 LEU 25 HD13 LEU 25 18.534 5.594 -9.130 195 1HD2 LEU 25 HD21 LEU 25 15.985 8.481 -9.432 196 2HD2 LEU 25 HD22 LEU 25 16.393 8.690 -11.156 197 3HD2 LEU 25 HD23 LEU 25 15.585 7.212 -10.625 198 H SER 26 H SER 26 21.311 10.000 -10.356 199 HA SER 26 HA SER 26 21.768 11.256 -7.827 200 1HB SER 26 HB2 SER 26 24.006 11.879 -8.808 201 2HB SER 26 HB3 SER 26 23.620 10.152 -8.783 202 HG SER 26 HG SER 26 23.238 10.151 -10.910 203 H MET 27 H MET 27 21.424 12.658 -11.160 204 HA MET 27 HA MET 27 21.665 15.313 -10.169 205 1HB MET 27 HB2 MET 27 21.016 16.128 -12.243 206 2HB MET 27 HB3 MET 27 21.918 14.653 -12.573 207 1HG MET 27 HG2 MET 27 19.781 13.462 -12.964 208 2HG MET 27 HG3 MET 27 18.883 14.939 -12.609 209 1HE MET 27 HE1 MET 27 18.283 13.297 -15.183 210 2HE MET 27 HE2 MET 27 17.513 14.851 -14.795 211 3HE MET 27 HE3 MET 27 18.213 14.583 -16.405 212 H LEU 28 H LEU 28 18.794 13.149 -10.292 213 HA LEU 28 HA LEU 28 16.968 15.267 -9.587 214 1HB LEU 28 HB2 LEU 28 16.806 12.247 -9.338 215 2HB LEU 28 HB3 LEU 28 15.511 13.308 -8.795 216 HG LEU 28 HG LEU 28 16.574 13.281 -11.641 217 1HD1 LEU 28 HD11 LEU 28 14.037 12.010 -10.528 218 2HD1 LEU 28 HD12 LEU 28 14.553 12.026 -12.229 219 3HD1 LEU 28 HD13 LEU 28 15.495 11.125 -11.036 220 1HD2 LEU 28 HD21 LEU 28 14.110 14.594 -10.429 221 2HD2 LEU 28 HD22 LEU 28 15.518 15.420 -11.136 222 3HD2 LEU 28 HD23 LEU 28 14.459 14.477 -12.170 223 H PHE 29 H PHE 29 18.435 12.700 -7.520 224 HA PHE 29 HA PHE 29 17.199 13.909 -5.191 225 1HB PHE 29 HB2 PHE 29 19.200 11.656 -5.572 226 2HB PHE 29 HB3 PHE 29 18.736 12.254 -3.983 227 HD1 PHE 29 HD1 PHE 29 17.243 10.715 -7.070 228 HD2 PHE 29 HD2 PHE 29 16.824 11.559 -2.866 229 HE1 PHE 29 HE1 PHE 29 15.278 9.229 -6.961 230 HE2 PHE 29 HE2 PHE 29 14.843 10.078 -2.761 231 HZ PHE 29 HZ PHE 29 14.069 8.908 -4.809 232 H ASN 30 H ASN 30 20.423 14.378 -6.663 233 HA ASN 30 HA ASN 30 21.735 15.223 -4.324 234 1HB ASN 30 HB2 ASN 30 22.900 14.599 -6.320 235 2HB ASN 30 HB3 ASN 30 22.235 16.004 -7.190 236 1HD2 ASN 30 HD22 ASN 30 23.780 17.632 -7.390 237 2HD2 ASN 30 HD21 ASN 30 25.011 17.982 -6.207 238 H GLN 31 H GLN 31 19.197 16.883 -5.968 239 HA GLN 31 HA GLN 31 19.864 19.573 -5.430 240 1HB GLN 31 HB2 GLN 31 17.536 20.052 -5.660 241 2HB GLN 31 HB3 GLN 31 17.944 18.794 -6.827 242 1HG GLN 31 HG2 GLN 31 17.007 17.086 -5.209 243 2HG GLN 31 HG3 GLN 31 16.515 18.410 -4.158 244 1HE2 GLN 31 HE22 GLN 31 15.761 16.682 -7.097 245 2HE2 GLN 31 HE21 GLN 31 14.260 17.528 -7.461 246 H PHE 32 H PHE 32 18.898 16.949 -3.247 247 HA PHE 32 HA PHE 32 18.198 18.804 -1.081 248 1HB PHE 32 HB2 PHE 32 18.495 15.790 -0.992 249 2HB PHE 32 HB3 PHE 32 17.679 16.809 0.188 250 HD1 PHE 32 HD1 PHE 32 15.703 18.376 -0.963 251 HD2 PHE 32 HD2 PHE 32 17.156 14.620 -2.494 252 HE1 PHE 32 HE1 PHE 32 13.669 18.142 -2.370 253 HE2 PHE 32 HE2 PHE 32 15.141 14.392 -3.886 254 HZ PHE 32 HZ PHE 32 13.419 16.167 -3.881 255 HA PRO 33 HA PRO 33 22.494 18.968 0.034 256 1HB PRO 33 HB2 PRO 33 22.413 20.356 2.388 257 2HB PRO 33 HB3 PRO 33 21.898 21.052 0.830 258 1HG PRO 33 HG2 PRO 33 20.136 19.778 2.947 259 2HG PRO 33 HG3 PRO 33 19.941 21.380 2.166 260 1HD PRO 33 HD2 PRO 33 18.618 19.167 1.271 261 2HD PRO 33 HD3 PRO 33 19.225 20.420 0.146 262 H GLY 34 H GLY 34 21.299 16.397 0.574 263 1HA GLY 34 HA2 GLY 34 23.036 15.454 2.782 264 2HA GLY 34 HA3 GLY 34 21.309 15.054 2.817 265 H PHE 35 H PHE 35 21.877 15.027 -0.467 266 HA PHE 35 HA PHE 35 21.848 12.234 -0.748 267 1HB PHE 35 HB2 PHE 35 21.074 13.793 -2.436 268 2HB PHE 35 HB3 PHE 35 22.641 14.597 -2.480 269 HD1 PHE 35 HD1 PHE 35 24.561 13.640 -3.671 270 HD2 PHE 35 HD2 PHE 35 20.732 11.657 -3.626 271 HE1 PHE 35 HE1 PHE 35 25.282 12.177 -5.552 272 HE2 PHE 35 HE2 PHE 35 21.430 10.264 -5.539 273 HZ PHE 35 HZ PHE 35 23.715 10.511 -6.480 274 H LYS 36 H LYS 36 23.460 10.838 -1.400 275 HA LYS 36 HA LYS 36 26.284 11.790 -1.401 276 1HB LYS 36 HB2 LYS 36 25.372 9.242 -0.024 277 2HB LYS 36 HB3 LYS 36 27.043 9.744 -0.297 278 1HG LYS 36 HG2 LYS 36 26.541 11.814 1.125 279 2HG LYS 36 HG3 LYS 36 25.021 11.027 1.563 280 1HD LYS 36 HD2 LYS 36 27.861 10.097 2.125 281 2HD LYS 36 HD3 LYS 36 26.623 10.546 3.306 282 1HE LYS 36 HE2 LYS 36 25.295 8.545 2.706 283 2HE LYS 36 HE3 LYS 36 26.433 8.154 1.419 284 1HZ LYS 36 HZ1 LYS 36 26.887 6.774 3.188 285 2HZ LYS 36 HZ2 LYS 36 28.137 7.827 3.139 286 3HZ LYS 36 HZ3 LYS 36 26.992 7.991 4.303 287 H GLU 37 H GLU 37 24.075 8.959 -2.234 288 HA GLU 37 HA GLU 37 25.666 8.646 -4.699 289 1HB GLU 37 HB2 GLU 37 26.982 7.600 -2.818 290 2HB GLU 37 HB3 GLU 37 25.626 6.544 -2.476 291 1HG GLU 37 HG2 GLU 37 27.436 5.416 -3.660 292 2HG GLU 37 HG3 GLU 37 25.952 5.363 -4.577 293 H VAL 38 H VAL 38 24.940 6.838 -6.039 294 HA VAL 38 HA VAL 38 22.177 5.824 -5.575 295 HB VAL 38 HB VAL 38 23.385 6.950 -8.139 296 1HG1 VAL 38 HG11 VAL 38 20.700 5.533 -7.814 297 2HG1 VAL 38 HG12 VAL 38 21.265 6.393 -9.267 298 3HG1 VAL 38 HG13 VAL 38 22.091 4.944 -8.758 299 1HG2 VAL 38 HG21 VAL 38 22.463 8.652 -6.664 300 2HG2 VAL 38 HG22 VAL 38 21.480 8.481 -8.112 301 3HG2 VAL 38 HG23 VAL 38 20.915 7.790 -6.577 302 H ARG 39 H ARG 39 21.887 3.694 -6.315 303 HA ARG 39 HA ARG 39 24.123 2.329 -7.709 304 1HB ARG 39 HB2 ARG 39 22.673 1.157 -5.300 305 2HB ARG 39 HB3 ARG 39 23.812 0.308 -6.344 306 1HG ARG 39 HG2 ARG 39 25.614 1.883 -5.658 307 2HG ARG 39 HG3 ARG 39 24.466 2.730 -4.604 308 1HD ARG 39 HD2 ARG 39 24.103 0.585 -3.341 309 2HD ARG 39 HD3 ARG 39 25.351 -0.165 -4.337 310 HE ARG 39 HE ARG 39 27.004 0.986 -3.219 311 1HH1 ARG 39 HH21 ARG 39 23.840 2.274 -2.106 312 2HH1 ARG 39 HH22 ARG 39 24.607 3.168 -0.797 313 1HH2 ARG 39 HH11 ARG 39 27.855 2.247 -1.416 314 2HH2 ARG 39 HH12 ARG 39 26.710 3.149 -0.436 315 H LEU 40 H LEU 40 23.044 2.323 -9.630 316 HA LEU 40 HA LEU 40 20.220 1.699 -9.966 317 1HB LEU 40 HB2 LEU 40 22.354 2.813 -11.533 318 2HB LEU 40 HB3 LEU 40 21.989 1.286 -12.285 319 HG LEU 40 HG LEU 40 20.796 3.057 -13.356 320 1HD1 LEU 40 HD11 LEU 40 18.730 1.486 -11.766 321 2HD1 LEU 40 HD12 LEU 40 18.545 2.239 -13.352 322 3HD1 LEU 40 HD13 LEU 40 19.641 0.870 -13.182 323 1HD2 LEU 40 HD21 LEU 40 20.693 4.669 -11.493 324 2HD2 LEU 40 HD22 LEU 40 19.131 4.472 -12.287 325 3HD2 LEU 40 HD23 LEU 40 19.426 3.705 -10.715 326 H VAL 41 H VAL 41 19.689 -0.199 -11.416 327 HA VAL 41 HA VAL 41 21.429 -2.577 -10.953 328 HB VAL 41 HB VAL 41 18.399 -2.565 -11.024 329 1HG1 VAL 41 HG11 VAL 41 20.449 -4.790 -10.579 330 2HG1 VAL 41 HG12 VAL 41 18.699 -4.968 -10.374 331 3HG1 VAL 41 HG13 VAL 41 19.356 -4.625 -11.974 332 1HG2 VAL 41 HG21 VAL 41 18.632 -3.341 -8.631 333 2HG2 VAL 41 HG22 VAL 41 20.361 -2.951 -8.710 334 3HG2 VAL 41 HG23 VAL 41 19.141 -1.668 -8.872 335 HA PRO 42 HA PRO 42 21.158 -1.231 -15.294 336 1HB PRO 42 HB2 PRO 42 23.744 -1.722 -16.110 337 2HB PRO 42 HB3 PRO 42 23.278 -0.335 -15.090 338 1HG PRO 42 HG2 PRO 42 24.318 -3.035 -14.164 339 2HG PRO 42 HG3 PRO 42 24.945 -1.406 -13.736 340 1HD PRO 42 HD2 PRO 42 23.208 -2.693 -12.117 341 2HD PRO 42 HD3 PRO 42 23.044 -0.930 -12.401 342 H ASN 43 H ASN 43 20.305 -3.772 -14.316 343 HA ASN 43 HA ASN 43 20.266 -5.181 -16.842 344 1HB ASN 43 HB2 ASN 43 20.349 -7.384 -15.878 345 2HB ASN 43 HB3 ASN 43 21.792 -6.511 -15.394 346 1HD2 ASN 43 HD22 ASN 43 22.208 -6.319 -13.157 347 2HD2 ASN 43 HD21 ASN 43 21.099 -6.854 -11.923 348 H ARG 44 H ARG 44 18.538 -3.632 -14.305 349 HA ARG 44 HA ARG 44 16.061 -4.648 -15.591 350 1HB ARG 44 HB2 ARG 44 16.744 -4.572 -12.672 351 2HB ARG 44 HB3 ARG 44 15.165 -3.957 -13.124 352 1HG ARG 44 HG2 ARG 44 14.752 -6.095 -14.430 353 2HG ARG 44 HG3 ARG 44 16.276 -6.715 -13.781 354 1HD ARG 44 HD2 ARG 44 14.415 -7.571 -12.493 355 2HD ARG 44 HD3 ARG 44 15.366 -6.477 -11.475 356 HE ARG 44 HE ARG 44 13.428 -4.824 -12.539 357 1HH1 ARG 44 HH21 ARG 44 13.272 -7.847 -10.665 358 2HH1 ARG 44 HH22 ARG 44 11.763 -7.460 -9.926 359 1HH2 ARG 44 HH11 ARG 44 11.459 -4.316 -11.604 360 2HH2 ARG 44 HH12 ARG 44 10.694 -5.401 -10.480 361 H HIS 45 H HIS 45 17.729 -1.937 -14.067 362 HA HIS 45 HA HIS 45 17.493 0.223 -14.046 363 1HB HIS 45 HB2 HIS 45 15.764 0.040 -16.523 364 2HB HIS 45 HB3 HIS 45 16.642 1.441 -15.938 365 HD1 HIS 45 HD1 HIS 45 16.961 -0.462 -18.752 366 HD2 HIS 45 HD2 HIS 45 19.564 0.390 -15.562 367 HE1 HIS 45 HE1 HIS 45 19.328 -0.909 -19.615 368 H ASP 46 H ASP 46 14.398 -1.511 -14.084 369 HA ASP 46 HA ASP 46 12.809 0.827 -13.533 370 1HB ASP 46 HB2 ASP 46 10.962 -0.562 -13.508 371 2HB ASP 46 HB3 ASP 46 12.025 -1.285 -14.712 372 H ILE 47 H ILE 47 14.944 -0.896 -11.624 373 HA ILE 47 HA ILE 47 13.799 0.178 -9.139 374 HB ILE 47 HB ILE 47 14.694 -1.813 -8.003 375 1HG1 ILE 47 HG12 ILE 47 15.714 -2.502 -10.798 376 2HG1 ILE 47 HG13 ILE 47 16.611 -2.334 -9.289 377 1HG2 ILE 47 HG21 ILE 47 13.000 -2.757 -10.338 378 2HG2 ILE 47 HG22 ILE 47 13.030 -3.397 -8.682 379 3HG2 ILE 47 HG23 ILE 47 12.353 -1.793 -9.004 380 1HD1 ILE 47 HD11 ILE 47 14.703 -4.529 -10.028 381 2HD1 ILE 47 HD12 ILE 47 16.465 -4.613 -10.019 382 3HD1 ILE 47 HD13 ILE 47 15.590 -4.400 -8.468 383 H ALA 48 H ALA 48 15.509 0.593 -7.508 384 HA ALA 48 HA ALA 48 18.310 0.602 -8.193 385 1HB ALA 48 HB1 ALA 48 18.662 3.041 -8.287 386 2HB ALA 48 HB2 ALA 48 17.545 2.585 -9.578 387 3HB ALA 48 HB3 ALA 48 16.924 3.328 -8.089 388 H PHE 49 H PHE 49 19.499 2.073 -6.483 389 HA PHE 49 HA PHE 49 17.961 2.357 -3.984 390 1HB PHE 49 HB2 PHE 49 20.760 1.189 -4.243 391 2HB PHE 49 HB3 PHE 49 20.062 1.735 -2.736 392 HD1 PHE 49 HD1 PHE 49 18.646 0.337 -1.429 393 HD2 PHE 49 HD2 PHE 49 19.729 -0.824 -5.443 394 HE1 PHE 49 HE1 PHE 49 17.799 -1.958 -1.000 395 HE2 PHE 49 HE2 PHE 49 18.840 -3.106 -5.024 396 HZ PHE 49 HZ PHE 49 17.896 -3.683 -2.792 397 H VAL 50 H VAL 50 18.798 4.117 -2.674 398 HA VAL 50 HA VAL 50 20.816 5.910 -3.893 399 HB VAL 50 HB VAL 50 18.058 6.823 -2.956 400 1HG1 VAL 50 HG11 VAL 50 18.698 8.998 -3.934 401 2HG1 VAL 50 HG12 VAL 50 19.813 8.531 -2.644 402 3HG1 VAL 50 HG13 VAL 50 20.303 8.354 -4.337 403 1HG2 VAL 50 HG21 VAL 50 17.581 7.404 -5.312 404 2HG2 VAL 50 HG22 VAL 50 19.079 6.581 -5.810 405 3HG2 VAL 50 HG23 VAL 50 17.754 5.666 -5.076 406 H GLU 51 H GLU 51 21.912 7.155 -2.242 407 HA GLU 51 HA GLU 51 21.359 6.343 0.572 408 1HB GLU 51 HB2 GLU 51 23.013 4.809 -0.233 409 2HB GLU 51 HB3 GLU 51 23.954 6.105 -0.989 410 1HG GLU 51 HG2 GLU 51 24.493 7.062 1.175 411 2HG GLU 51 HG3 GLU 51 23.473 5.893 2.012 412 H PHE 52 H PHE 52 21.879 7.789 2.087 413 HA PHE 52 HA PHE 52 22.556 10.570 1.303 414 1HB PHE 52 HB2 PHE 52 20.141 9.353 2.631 415 2HB PHE 52 HB3 PHE 52 20.687 10.885 3.242 416 HD1 PHE 52 HD1 PHE 52 19.870 9.288 -0.096 417 HD2 PHE 52 HD2 PHE 52 19.853 12.832 2.357 418 HE1 PHE 52 HE1 PHE 52 18.787 10.556 -1.923 419 HE2 PHE 52 HE2 PHE 52 18.721 14.082 0.547 420 HZ PHE 52 HZ PHE 52 18.246 12.962 -1.621 421 H THR 53 H THR 53 22.967 11.895 3.178 422 HA THR 53 HA THR 53 24.952 10.864 4.978 423 HB THR 53 HB THR 53 23.389 13.486 4.816 424 HG1 THR 53 HG1 THR 53 24.634 13.151 3.019 425 1HG2 THR 53 HG21 THR 53 25.864 12.814 6.450 426 2HG2 THR 53 HG22 THR 53 25.267 14.466 6.132 427 3HG2 THR 53 HG23 THR 53 24.270 13.327 7.049 428 H THR 54 H THR 54 21.533 11.979 5.426 429 HA THR 54 HA THR 54 21.493 10.624 8.055 430 HB THR 54 HB THR 54 20.054 12.905 8.502 431 HG1 THR 54 HG1 THR 54 21.322 14.627 7.762 432 1HG2 THR 54 HG21 THR 54 22.026 13.741 9.721 433 2HG2 THR 54 HG22 THR 54 21.776 12.008 9.972 434 3HG2 THR 54 HG23 THR 54 23.052 12.562 8.868 435 H GLU 55 H GLU 55 19.633 9.954 8.764 436 HA GLU 55 HA GLU 55 17.808 8.828 6.952 437 1HB GLU 55 HB2 GLU 55 17.275 9.374 9.900 438 2HB GLU 55 HB3 GLU 55 16.578 8.092 8.905 439 1HG GLU 55 HG2 GLU 55 18.864 7.086 8.678 440 2HG GLU 55 HG3 GLU 55 19.500 8.322 9.757 441 H LEU 56 H LEU 56 17.603 11.867 8.777 442 HA LEU 56 HA LEU 56 14.840 12.406 8.167 443 1HB LEU 56 HB2 LEU 56 17.196 14.065 9.121 444 2HB LEU 56 HB3 LEU 56 15.721 14.859 8.604 445 HG LEU 56 HG LEU 56 15.792 14.633 11.010 446 1HD1 LEU 56 HD11 LEU 56 13.596 14.619 9.834 447 2HD1 LEU 56 HD12 LEU 56 13.589 12.842 9.903 448 3HD1 LEU 56 HD13 LEU 56 13.566 13.791 11.397 449 1HD2 LEU 56 HD21 LEU 56 15.654 11.610 10.667 450 2HD2 LEU 56 HD22 LEU 56 17.087 12.526 11.199 451 3HD2 LEU 56 HD23 LEU 56 15.619 12.523 12.186 452 H GLN 57 H GLN 57 17.901 12.964 6.406 453 HA GLN 57 HA GLN 57 16.580 14.842 4.579 454 1HB GLN 57 HB2 GLN 57 19.390 13.669 4.543 455 2HB GLN 57 HB3 GLN 57 18.746 14.888 3.424 456 1HG GLN 57 HG2 GLN 57 18.145 16.261 5.551 457 2HG GLN 57 HG3 GLN 57 19.220 15.160 6.414 458 1HE2 GLN 57 HE22 GLN 57 21.545 15.152 5.768 459 2HE2 GLN 57 HE21 GLN 57 22.207 16.546 4.915 460 H SER 58 H SER 58 17.629 11.353 4.489 461 HA SER 58 HA SER 58 16.741 10.951 1.780 462 1HB SER 58 HB2 SER 58 16.414 8.551 2.649 463 2HB SER 58 HB3 SER 58 18.049 9.211 2.689 464 HG SER 58 HG SER 58 16.937 8.149 4.676 465 H ASN 59 H ASN 59 15.086 10.783 4.993 466 HA ASN 59 HA ASN 59 12.539 10.066 4.043 467 1HB ASN 59 HB2 ASN 59 12.897 10.076 6.398 468 2HB ASN 59 HB3 ASN 59 13.411 11.752 6.402 469 1HD2 ASN 59 HD22 ASN 59 11.893 13.286 6.940 470 2HD2 ASN 59 HD21 ASN 59 10.170 13.012 6.922 471 H ALA 60 H ALA 60 13.819 13.409 4.451 472 HA ALA 60 HA ALA 60 11.503 14.643 3.379 473 1HB ALA 60 HB1 ALA 60 13.226 15.871 4.611 474 2HB ALA 60 HB2 ALA 60 14.381 15.626 3.273 475 3HB ALA 60 HB3 ALA 60 12.918 16.609 3.027 476 H ALA 61 H ALA 61 14.436 13.481 1.699 477 HA ALA 61 HA ALA 61 13.692 14.336 -0.908 478 1HB ALA 61 HB1 ALA 61 15.364 11.908 -0.118 479 2HB ALA 61 HB2 ALA 61 15.318 12.718 -1.695 480 3HB ALA 61 HB3 ALA 61 15.971 13.573 -0.280 481 H LYS 62 H LYS 62 12.961 11.288 0.861 482 HA LYS 62 HA LYS 62 11.589 9.961 -1.235 483 1HB LYS 62 HB2 LYS 62 12.238 8.737 0.740 484 2HB LYS 62 HB3 LYS 62 11.352 9.830 1.793 485 1HG LYS 62 HG2 LYS 62 9.197 9.071 0.760 486 2HG LYS 62 HG3 LYS 62 10.113 7.876 -0.171 487 1HD LYS 62 HD2 LYS 62 10.913 6.846 1.916 488 2HD LYS 62 HD3 LYS 62 10.097 8.093 2.872 489 1HE LYS 62 HE2 LYS 62 8.671 6.141 1.006 490 2HE LYS 62 HE3 LYS 62 8.874 5.914 2.752 491 1HZ LYS 62 HZ1 LYS 62 6.841 6.829 2.643 492 2HZ LYS 62 HZ2 LYS 62 7.707 8.246 2.842 493 3HZ LYS 62 HZ3 LYS 62 7.158 7.841 1.375 494 H GLU 63 H GLU 63 10.262 12.052 1.426 495 HA GLU 63 HA GLU 63 7.616 11.896 0.428 496 1HB GLU 63 HB2 GLU 63 8.892 14.138 2.053 497 2HB GLU 63 HB3 GLU 63 7.162 13.884 1.837 498 1HG GLU 63 HG2 GLU 63 9.106 12.104 3.344 499 2HG GLU 63 HG3 GLU 63 7.823 13.074 4.010 500 H ALA 64 H ALA 64 10.280 14.040 -0.479 501 HA ALA 64 HA ALA 64 8.727 15.862 -2.051 502 1HB ALA 64 HB1 ALA 64 11.678 15.132 -2.197 503 2HB ALA 64 HB2 ALA 64 10.922 16.569 -2.910 504 3HB ALA 64 HB3 ALA 64 10.967 16.380 -1.145 505 H LEU 65 H LEU 65 10.520 12.835 -2.933 506 HA LEU 65 HA LEU 65 9.700 13.290 -5.765 507 1HB LEU 65 HB2 LEU 65 12.002 11.702 -4.594 508 2HB LEU 65 HB3 LEU 65 11.581 11.753 -6.302 509 HG LEU 65 HG LEU 65 12.537 14.100 -4.635 510 1HD1 LEU 65 HD11 LEU 65 14.507 13.980 -6.145 511 2HD1 LEU 65 HD12 LEU 65 14.286 12.476 -5.235 512 3HD1 LEU 65 HD13 LEU 65 13.809 12.553 -6.939 513 1HD2 LEU 65 HD21 LEU 65 11.761 14.007 -7.587 514 2HD2 LEU 65 HD22 LEU 65 10.978 14.974 -6.315 515 3HD2 LEU 65 HD23 LEU 65 12.629 15.343 -6.801 516 H GLN 66 H GLN 66 8.660 11.272 -3.223 517 HA GLN 66 HA GLN 66 8.042 8.942 -4.787 518 1HB GLN 66 HB2 GLN 66 6.726 10.250 -2.382 519 2HB GLN 66 HB3 GLN 66 5.897 8.959 -3.256 520 1HG GLN 66 HG2 GLN 66 7.885 7.479 -2.965 521 2HG GLN 66 HG3 GLN 66 8.628 8.703 -1.944 522 1HE2 GLN 66 HE22 GLN 66 7.378 5.815 -1.484 523 2HE2 GLN 66 HE21 GLN 66 6.258 6.057 -0.176 524 H GLY 67 H GLY 67 6.762 8.688 -6.495 525 1HA GLY 67 HA2 GLY 67 4.955 8.952 -7.896 526 2HA GLY 67 HA3 GLY 67 4.457 10.417 -7.046 527 H PHE 68 H PHE 68 7.792 10.733 -7.776 528 HA PHE 68 HA PHE 68 7.213 12.870 -9.620 529 1HB PHE 68 HB2 PHE 68 9.052 12.950 -7.988 530 2HB PHE 68 HB3 PHE 68 9.831 11.569 -8.755 531 HD1 PHE 68 HD1 PHE 68 11.057 11.808 -10.859 532 HD2 PHE 68 HD2 PHE 68 9.036 15.177 -9.069 533 HE1 PHE 68 HE1 PHE 68 12.267 13.348 -12.378 534 HE2 PHE 68 HE2 PHE 68 10.266 16.713 -10.581 535 HZ PHE 68 HZ PHE 68 11.881 15.801 -12.241 536 H LYS 69 H LYS 69 6.920 12.665 -11.797 537 HA LYS 69 HA LYS 69 7.467 10.204 -13.246 538 1HB LYS 69 HB2 LYS 69 6.460 12.933 -13.977 539 2HB LYS 69 HB3 LYS 69 7.391 12.098 -15.219 540 1HG LYS 69 HG2 LYS 69 5.109 11.585 -15.578 541 2HG LYS 69 HG3 LYS 69 5.972 10.134 -15.081 542 1HD LYS 69 HD2 LYS 69 5.073 10.503 -12.727 543 2HD LYS 69 HD3 LYS 69 4.082 11.813 -13.363 544 1HE LYS 69 HE2 LYS 69 4.017 8.903 -14.310 545 2HE LYS 69 HE3 LYS 69 2.908 9.601 -13.120 546 1HZ LYS 69 HZ1 LYS 69 1.820 9.635 -15.192 547 2HZ LYS 69 HZ2 LYS 69 2.210 11.188 -14.901 548 3HZ LYS 69 HZ3 LYS 69 3.073 10.294 -15.990 549 H ILE 70 H ILE 70 9.464 9.466 -13.400 550 HA ILE 70 HA ILE 70 11.808 11.233 -13.787 551 HB ILE 70 HB ILE 70 11.455 8.235 -14.082 552 1HG1 ILE 70 HG12 ILE 70 12.851 9.768 -11.846 553 2HG1 ILE 70 HG13 ILE 70 11.177 9.232 -11.741 554 1HG2 ILE 70 HG21 ILE 70 13.978 9.959 -14.009 555 2HG2 ILE 70 HG22 ILE 70 13.946 8.183 -14.101 556 3HG2 ILE 70 HG23 ILE 70 13.330 9.140 -15.445 557 1HD1 ILE 70 HD11 ILE 70 11.852 6.887 -12.041 558 2HD1 ILE 70 HD12 ILE 70 13.565 7.377 -12.091 559 3HD1 ILE 70 HD13 ILE 70 12.610 7.633 -10.631 560 H THR 71 H THR 71 9.593 9.091 -15.645 561 HA THR 71 HA THR 71 9.956 10.726 -18.042 562 HB THR 71 HB THR 71 10.003 7.655 -17.953 563 HG1 THR 71 HG1 THR 71 12.070 9.531 -18.375 564 1HG2 THR 71 HG21 THR 71 10.374 9.479 -20.354 565 2HG2 THR 71 HG22 THR 71 10.709 7.735 -20.321 566 3HG2 THR 71 HG23 THR 71 9.058 8.302 -20.077 567 HA PRO 72 HA PRO 72 5.781 11.318 -17.725 568 1HB PRO 72 HB2 PRO 72 5.372 10.143 -20.484 569 2HB PRO 72 HB3 PRO 72 4.589 11.587 -19.754 570 1HG PRO 72 HG2 PRO 72 6.755 11.929 -21.315 571 2HG PRO 72 HG3 PRO 72 6.663 12.798 -19.747 572 1HD PRO 72 HD2 PRO 72 8.192 10.311 -20.446 573 2HD PRO 72 HD3 PRO 72 8.694 11.695 -19.432 574 H THR 73 H THR 73 6.400 7.897 -18.359 575 HA THR 73 HA THR 73 3.800 7.297 -17.051 576 HB THR 73 HB THR 73 4.987 5.398 -19.079 577 HG1 THR 73 HG1 THR 73 4.832 7.318 -20.213 578 1HG2 THR 73 HG21 THR 73 3.022 4.640 -17.758 579 2HG2 THR 73 HG22 THR 73 2.106 6.064 -18.290 580 3HG2 THR 73 HG23 THR 73 2.605 4.824 -19.464 581 H HIS 74 H HIS 74 6.616 7.677 -16.037 582 HA HIS 74 HA HIS 74 6.800 5.159 -14.483 583 1HB HIS 74 HB2 HIS 74 9.077 6.565 -15.920 584 2HB HIS 74 HB3 HIS 74 9.282 5.370 -14.637 585 HD1 HIS 74 HD1 HIS 74 8.752 2.799 -15.258 586 HD2 HIS 74 HD2 HIS 74 8.336 5.623 -18.354 587 HE1 HIS 74 HE1 HIS 74 8.500 1.469 -17.411 588 H ALA 75 H ALA 75 5.531 6.468 -13.095 589 HA ALA 75 HA ALA 75 6.672 8.746 -11.682 590 1HB ALA 75 HB1 ALA 75 4.225 8.360 -11.711 591 2HB ALA 75 HB2 ALA 75 4.451 6.784 -10.924 592 3HB ALA 75 HB3 ALA 75 4.859 8.277 -10.063 593 H MET 76 H MET 76 8.501 8.471 -10.569 594 HA MET 76 HA MET 76 9.766 6.195 -9.631 595 1HB MET 76 HB2 MET 76 10.611 8.573 -9.733 596 2HB MET 76 HB3 MET 76 9.619 8.962 -8.337 597 1HG MET 76 HG2 MET 76 10.893 7.212 -7.039 598 2HG MET 76 HG3 MET 76 11.960 7.025 -8.429 599 1HE MET 76 HE1 MET 76 13.623 9.083 -9.307 600 2HE MET 76 HE2 MET 76 12.213 10.164 -9.433 601 3HE MET 76 HE3 MET 76 13.646 10.670 -8.518 602 H LYS 77 H LYS 77 9.406 4.778 -7.966 603 HA LYS 77 HA LYS 77 7.638 5.652 -5.720 604 1HB LYS 77 HB2 LYS 77 7.998 2.906 -6.969 605 2HB LYS 77 HB3 LYS 77 7.321 3.170 -5.352 606 1HG LYS 77 HG2 LYS 77 5.544 4.624 -6.398 607 2HG LYS 77 HG3 LYS 77 6.212 4.226 -7.985 608 1HD LYS 77 HD2 LYS 77 4.313 2.826 -7.627 609 2HD LYS 77 HD3 LYS 77 5.754 1.801 -7.537 610 1HE LYS 77 HE2 LYS 77 5.636 1.833 -5.057 611 2HE LYS 77 HE3 LYS 77 4.258 2.936 -5.124 612 1HZ LYS 77 HZ1 LYS 77 2.995 1.186 -6.237 613 2HZ LYS 77 HZ2 LYS 77 4.269 0.161 -6.170 614 3HZ LYS 77 HZ3 LYS 77 3.543 0.660 -4.799 615 H ILE 78 H ILE 78 8.480 5.133 -3.676 616 HA ILE 78 HA ILE 78 11.381 4.536 -3.529 617 HB ILE 78 HB ILE 78 10.020 6.926 -2.240 618 1HG1 ILE 78 HG12 ILE 78 11.910 7.019 -4.618 619 2HG1 ILE 78 HG13 ILE 78 10.181 7.359 -4.664 620 1HG2 ILE 78 HG21 ILE 78 12.972 6.245 -2.353 621 2HG2 ILE 78 HG22 ILE 78 12.245 7.630 -1.529 622 3HG2 ILE 78 HG23 ILE 78 11.925 6.017 -0.941 623 1HD1 ILE 78 HD11 ILE 78 12.308 9.012 -3.279 624 2HD1 ILE 78 HD12 ILE 78 11.308 9.435 -4.669 625 3HD1 ILE 78 HD13 ILE 78 10.557 9.259 -3.083 626 H THR 79 H THR 79 11.846 3.482 -1.639 627 HA THR 79 HA THR 79 9.880 3.281 0.558 628 HB THR 79 HB THR 79 11.540 0.913 -0.406 629 HG1 THR 79 HG1 THR 79 10.321 1.328 -2.177 630 1HG2 THR 79 HG21 THR 79 9.737 -0.398 0.659 631 2HG2 THR 79 HG22 THR 79 10.485 0.720 1.802 632 3HG2 THR 79 HG23 THR 79 8.893 1.105 1.102 633 H PHE 80 H PHE 80 11.124 2.915 2.636 634 HA PHE 80 HA PHE 80 13.903 3.853 2.532 635 1HB PHE 80 HB2 PHE 80 12.200 2.701 4.774 636 2HB PHE 80 HB3 PHE 80 13.877 3.189 4.963 637 HD1 PHE 80 HD1 PHE 80 14.525 5.624 4.303 638 HD2 PHE 80 HD2 PHE 80 10.476 4.341 5.046 639 HE1 PHE 80 HE1 PHE 80 13.845 7.980 4.669 640 HE2 PHE 80 HE2 PHE 80 9.806 6.687 5.456 641 HZ PHE 80 HZ PHE 80 11.468 8.506 5.257 642 H ALA 81 H ALA 81 15.684 2.547 2.414 643 HA ALA 81 HA ALA 81 15.327 -0.359 1.957 644 1HB ALA 81 HB1 ALA 81 16.991 0.894 0.588 645 2HB ALA 81 HB2 ALA 81 17.848 1.349 2.078 646 3HB ALA 81 HB3 ALA 81 17.760 -0.349 1.583 647 H LYS 82 H LYS 82 17.009 -1.705 3.356 648 HA LYS 82 HA LYS 82 16.749 -0.851 6.219 649 1HB LYS 82 HB2 LYS 82 16.177 -3.588 5.009 650 2HB LYS 82 HB3 LYS 82 16.243 -3.219 6.737 651 1HG LYS 82 HG2 LYS 82 14.358 -1.624 6.484 652 2HG LYS 82 HG3 LYS 82 14.307 -1.940 4.748 653 1HD LYS 82 HD2 LYS 82 12.545 -3.199 5.708 654 2HD LYS 82 HD3 LYS 82 13.797 -4.347 5.217 655 1HE LYS 82 HE2 LYS 82 14.617 -4.412 7.589 656 2HE LYS 82 HE3 LYS 82 13.324 -3.293 8.045 657 1HZ LYS 82 HZ1 LYS 82 12.726 -5.582 8.507 658 2HZ LYS 82 HZ2 LYS 82 11.717 -4.986 7.377 659 3HZ LYS 82 HZ3 LYS 82 12.914 -6.016 6.950 660 H LYS 83 H LYS 83 18.790 -0.461 6.849 661 HA LYS 83 HA LYS 83 21.139 -1.729 5.739 662 1HB LYS 83 HB2 LYS 83 20.710 -0.208 8.352 663 2HB LYS 83 HB3 LYS 83 22.269 -0.814 7.782 664 1HG LYS 83 HG2 LYS 83 21.963 0.526 5.667 665 2HG LYS 83 HG3 LYS 83 20.542 1.278 6.393 666 1HD LYS 83 HD2 LYS 83 23.394 1.398 7.472 667 2HD LYS 83 HD3 LYS 83 22.581 2.683 6.571 668 1HE LYS 83 HE2 LYS 83 20.909 2.936 8.364 669 2HE LYS 83 HE3 LYS 83 21.636 1.599 9.260 670 1HZ LYS 83 HZ1 LYS 83 22.997 4.179 8.672 671 2HZ LYS 83 HZ2 LYS 83 22.379 3.720 10.111 672 3HZ LYS 83 HZ3 LYS 83 23.653 2.920 9.492 Start of MODEL 3 1 1H ALA 1 H1 ALA 1 7.132 -7.999 -2.927 2 2H ALA 1 H2 ALA 1 6.554 -8.435 -1.463 3 3H ALA 1 H3 ALA 1 5.562 -8.451 -2.773 4 HA ALA 1 HA ALA 1 5.717 -6.085 -3.003 5 1HB ALA 1 HB1 ALA 1 4.481 -5.402 -0.980 6 2HB ALA 1 HB2 ALA 1 3.869 -6.941 -1.609 7 3HB ALA 1 HB3 ALA 1 4.920 -6.922 -0.174 8 H GLN 2 H GLN 2 6.971 -4.300 -2.766 9 HA GLN 2 HA GLN 2 9.519 -4.419 -1.534 10 1HB GLN 2 HB2 GLN 2 9.665 -2.035 -2.009 11 2HB GLN 2 HB3 GLN 2 9.111 -2.989 -3.382 12 1HG GLN 2 HG2 GLN 2 6.721 -2.242 -2.802 13 2HG GLN 2 HG3 GLN 2 7.440 -1.120 -1.655 14 1HE2 GLN 2 HE22 GLN 2 9.148 0.495 -2.661 15 2HE2 GLN 2 HE21 GLN 2 8.912 0.903 -4.348 16 H THR 3 H THR 3 10.240 -4.089 0.477 17 HA THR 3 HA THR 3 8.348 -3.793 2.616 18 HB THR 3 HB THR 3 10.658 -3.800 3.916 19 HG1 THR 3 HG1 THR 3 12.015 -3.341 2.178 20 1HG2 THR 3 HG21 THR 3 10.856 -6.246 3.618 21 2HG2 THR 3 HG22 THR 3 9.162 -5.754 3.771 22 3HG2 THR 3 HG23 THR 3 9.821 -6.166 2.174 23 H GLU 4 H GLU 4 8.627 -2.206 4.389 24 HA GLU 4 HA GLU 4 9.581 0.455 3.570 25 1HB GLU 4 HB2 GLU 4 7.204 0.232 2.817 26 2HB GLU 4 HB3 GLU 4 6.737 -0.263 4.439 27 1HG GLU 4 HG2 GLU 4 6.112 2.029 4.065 28 2HG GLU 4 HG3 GLU 4 7.350 1.972 5.312 29 H GLN 5 H GLN 5 9.754 1.841 5.534 30 HA GLN 5 HA GLN 5 9.887 0.411 8.130 31 1HB GLN 5 HB2 GLN 5 12.255 1.584 6.582 32 2HB GLN 5 HB3 GLN 5 12.334 1.247 8.291 33 1HG GLN 5 HG2 GLN 5 11.847 -0.871 6.162 34 2HG GLN 5 HG3 GLN 5 13.393 -0.466 6.881 35 1HE2 GLN 5 HE22 GLN 5 10.206 -1.917 7.547 36 2HE2 GLN 5 HE21 GLN 5 10.685 -2.715 9.036 37 HA PRO 6 HA PRO 6 9.697 4.817 9.543 38 1HB PRO 6 HB2 PRO 6 11.528 4.815 11.612 39 2HB PRO 6 HB3 PRO 6 9.847 4.220 11.768 40 1HG PRO 6 HG2 PRO 6 12.360 2.605 11.241 41 2HG PRO 6 HG3 PRO 6 11.072 2.285 12.448 42 1HD PRO 6 HD2 PRO 6 11.102 1.009 10.065 43 2HD PRO 6 HD3 PRO 6 9.563 1.559 10.774 44 HA PRO 7 HA PRO 7 12.850 6.715 7.243 45 1HB PRO 7 HB2 PRO 7 13.718 8.301 9.669 46 2HB PRO 7 HB3 PRO 7 13.479 8.871 7.985 47 1HG PRO 7 HG2 PRO 7 11.529 9.250 9.820 48 2HG PRO 7 HG3 PRO 7 11.104 8.676 8.175 49 1HD PRO 7 HD2 PRO 7 11.338 7.073 10.725 50 2HD PRO 7 HD3 PRO 7 10.127 6.954 9.414 51 H ASN 8 H ASN 8 14.815 6.222 6.486 52 HA ASN 8 HA ASN 8 17.060 5.465 8.222 53 1HB ASN 8 HB2 ASN 8 16.033 3.255 7.858 54 2HB ASN 8 HB3 ASN 8 15.802 3.605 6.148 55 1HD2 ASN 8 HD22 ASN 8 17.163 2.238 5.088 56 2HD2 ASN 8 HD21 ASN 8 18.891 2.096 5.396 57 H GLN 9 H GLN 9 19.024 5.851 7.115 58 HA GLN 9 HA GLN 9 18.884 7.880 5.116 59 1HB GLN 9 HB2 GLN 9 21.223 8.112 5.414 60 2HB GLN 9 HB3 GLN 9 20.502 7.838 6.989 61 1HG GLN 9 HG2 GLN 9 21.199 5.442 6.893 62 2HG GLN 9 HG3 GLN 9 21.958 5.732 5.321 63 1HE2 GLN 9 HE22 GLN 9 23.545 7.792 5.375 64 2HE2 GLN 9 HE21 GLN 9 24.637 7.787 6.740 65 H ILE 10 H ILE 10 18.160 4.914 4.293 66 HA ILE 10 HA ILE 10 19.477 5.093 1.687 67 HB ILE 10 HB ILE 10 19.297 2.422 3.137 68 1HG1 ILE 10 HG12 ILE 10 21.737 4.201 2.742 69 2HG1 ILE 10 HG13 ILE 10 21.018 3.698 4.275 70 1HG2 ILE 10 HG21 ILE 10 19.143 2.374 0.618 71 2HG2 ILE 10 HG22 ILE 10 20.721 3.181 0.544 72 3HG2 ILE 10 HG23 ILE 10 20.558 1.549 1.230 73 1HD1 ILE 10 HD11 ILE 10 22.538 1.944 2.325 74 2HD1 ILE 10 HD12 ILE 10 22.977 2.397 3.976 75 3HD1 ILE 10 HD13 ILE 10 21.598 1.311 3.699 76 H LEU 11 H LEU 11 18.070 4.481 0.090 77 HA LEU 11 HA LEU 11 15.241 3.899 0.854 78 1HB LEU 11 HB2 LEU 11 16.266 5.712 -1.367 79 2HB LEU 11 HB3 LEU 11 14.583 5.415 -0.954 80 HG LEU 11 HG LEU 11 16.594 6.891 0.806 81 1HD1 LEU 11 HD11 LEU 11 16.003 8.170 -1.205 82 2HD1 LEU 11 HD12 LEU 11 14.277 7.951 -0.858 83 3HD1 LEU 11 HD13 LEU 11 15.295 8.900 0.243 84 1HD2 LEU 11 HD21 LEU 11 14.945 5.786 2.178 85 2HD2 LEU 11 HD22 LEU 11 14.551 7.507 2.122 86 3HD2 LEU 11 HD23 LEU 11 13.609 6.356 1.148 87 H PHE 12 H PHE 12 14.096 2.726 -0.739 88 HA PHE 12 HA PHE 12 15.644 1.489 -2.960 89 1HB PHE 12 HB2 PHE 12 15.302 -0.266 -1.300 90 2HB PHE 12 HB3 PHE 12 13.610 0.191 -1.099 91 HD1 PHE 12 HD1 PHE 12 11.951 -0.943 -2.370 92 HD2 PHE 12 HD2 PHE 12 16.014 -0.874 -3.804 93 HE1 PHE 12 HE1 PHE 12 11.369 -2.588 -4.123 94 HE2 PHE 12 HE2 PHE 12 15.420 -2.483 -5.583 95 HZ PHE 12 HZ PHE 12 13.092 -3.357 -5.750 96 H LEU 13 H LEU 13 14.504 1.620 -4.891 97 HA LEU 13 HA LEU 13 11.911 3.087 -4.820 98 1HB LEU 13 HB2 LEU 13 14.421 3.730 -6.418 99 2HB LEU 13 HB3 LEU 13 12.810 4.287 -6.838 100 HG LEU 13 HG LEU 13 12.619 5.562 -4.737 101 1HD1 LEU 13 HD11 LEU 13 14.070 4.598 -3.161 102 2HD1 LEU 13 HD12 LEU 13 15.446 4.533 -4.285 103 3HD1 LEU 13 HD13 LEU 13 14.894 6.085 -3.604 104 1HD2 LEU 13 HD21 LEU 13 14.194 7.309 -5.472 105 2HD2 LEU 13 HD22 LEU 13 15.072 6.125 -6.454 106 3HD2 LEU 13 HD23 LEU 13 13.395 6.565 -6.858 107 H THR 14 H THR 14 10.668 2.801 -6.649 108 HA THR 14 HA THR 14 11.317 0.671 -8.596 109 HB THR 14 HB THR 14 9.091 -0.377 -8.034 110 HG1 THR 14 HG1 THR 14 8.197 0.132 -6.045 111 1HG2 THR 14 HG21 THR 14 10.894 -0.366 -5.584 112 2HG2 THR 14 HG22 THR 14 9.817 -1.658 -6.152 113 3HG2 THR 14 HG23 THR 14 11.282 -1.264 -7.059 114 H ASN 15 H ASN 15 9.269 0.463 -10.078 115 HA ASN 15 HA ASN 15 8.171 1.298 -11.788 116 1HB ASN 15 HB2 ASN 15 6.548 1.823 -9.916 117 2HB ASN 15 HB3 ASN 15 7.148 3.483 -9.948 118 1HD2 ASN 15 HD22 ASN 15 5.754 4.802 -11.119 119 2HD2 ASN 15 HD21 ASN 15 4.796 4.270 -12.494 120 H LEU 16 H LEU 16 10.871 2.168 -11.491 121 HA LEU 16 HA LEU 16 11.078 4.918 -12.478 122 1HB LEU 16 HB2 LEU 16 13.187 2.744 -12.568 123 2HB LEU 16 HB3 LEU 16 13.439 4.472 -12.571 124 HG LEU 16 HG LEU 16 12.449 2.869 -10.181 125 1HD1 LEU 16 HD11 LEU 16 14.799 2.432 -10.854 126 2HD1 LEU 16 HD12 LEU 16 15.148 4.154 -10.721 127 3HD1 LEU 16 HD13 LEU 16 14.645 3.237 -9.276 128 1HD2 LEU 16 HD21 LEU 16 13.362 5.759 -10.304 129 2HD2 LEU 16 HD22 LEU 16 11.650 5.251 -10.224 130 3HD2 LEU 16 HD23 LEU 16 12.753 4.889 -8.898 131 HA PRO 17 HA PRO 17 10.913 4.086 -16.922 132 1HB PRO 17 HB2 PRO 17 13.817 4.864 -17.017 133 2HB PRO 17 HB3 PRO 17 12.486 5.317 -18.129 134 1HG PRO 17 HG2 PRO 17 13.328 7.020 -16.214 135 2HG PRO 17 HG3 PRO 17 11.574 6.828 -16.522 136 1HD PRO 17 HD2 PRO 17 13.216 5.693 -14.290 137 2HD PRO 17 HD3 PRO 17 11.538 6.293 -14.262 138 H GLU 18 H GLU 18 11.696 2.548 -18.559 139 HA GLU 18 HA GLU 18 13.099 0.191 -17.502 140 1HB GLU 18 HB2 GLU 18 12.038 0.880 -20.281 141 2HB GLU 18 HB3 GLU 18 12.744 -0.677 -19.820 142 1HG GLU 18 HG2 GLU 18 10.974 -0.956 -18.084 143 2HG GLU 18 HG3 GLU 18 10.214 0.539 -18.637 144 H GLU 19 H GLU 19 14.278 3.103 -18.131 145 HA GLU 19 HA GLU 19 16.708 2.203 -19.452 146 1HB GLU 19 HB2 GLU 19 15.140 4.745 -20.067 147 2HB GLU 19 HB3 GLU 19 16.640 4.274 -20.852 148 1HG GLU 19 HG2 GLU 19 13.950 2.864 -21.091 149 2HG GLU 19 HG3 GLU 19 14.693 3.915 -22.281 150 H THR 20 H THR 20 15.686 3.245 -16.564 151 HA THR 20 HA THR 20 16.934 5.703 -16.040 152 HB THR 20 HB THR 20 16.853 3.587 -13.909 153 HG1 THR 20 HG1 THR 20 14.920 3.074 -14.350 154 1HG2 THR 20 HG21 THR 20 15.838 5.433 -12.620 155 2HG2 THR 20 HG22 THR 20 17.357 5.966 -13.352 156 3HG2 THR 20 HG23 THR 20 15.804 6.454 -14.071 157 H ASN 21 H ASN 21 18.951 6.237 -15.161 158 HA ASN 21 HA ASN 21 21.021 4.118 -15.135 159 1HB ASN 21 HB2 ASN 21 21.240 5.459 -17.227 160 2HB ASN 21 HB3 ASN 21 21.313 6.940 -16.270 161 1HD2 ASN 21 HD22 ASN 21 23.112 4.025 -17.238 162 2HD2 ASN 21 HD21 ASN 21 24.632 4.534 -16.553 163 H GLU 22 H GLU 22 22.723 4.606 -13.583 164 HA GLU 22 HA GLU 22 21.868 5.474 -11.071 165 1HB GLU 22 HB2 GLU 22 23.819 3.985 -11.890 166 2HB GLU 22 HB3 GLU 22 24.747 5.473 -12.056 167 1HG GLU 22 HG2 GLU 22 24.606 5.909 -9.707 168 2HG GLU 22 HG3 GLU 22 23.319 4.712 -9.487 169 H MET 23 H MET 23 23.523 7.253 -13.612 170 HA MET 23 HA MET 23 24.047 9.658 -12.167 171 1HB MET 23 HB2 MET 23 23.650 9.187 -15.145 172 2HB MET 23 HB3 MET 23 24.268 10.683 -14.435 173 1HG MET 23 HG2 MET 23 26.146 9.432 -13.407 174 2HG MET 23 HG3 MET 23 25.602 7.956 -14.199 175 1HE MET 23 HE1 MET 23 26.367 8.577 -17.964 176 2HE MET 23 HE2 MET 23 25.880 7.401 -16.725 177 3HE MET 23 HE3 MET 23 24.806 8.757 -17.138 178 H MET 24 H MET 24 21.117 8.548 -13.845 179 HA MET 24 HA MET 24 19.873 11.134 -14.123 180 1HB MET 24 HB2 MET 24 18.634 8.331 -13.977 181 2HB MET 24 HB3 MET 24 17.719 9.809 -14.249 182 1HG MET 24 HG2 MET 24 18.879 10.278 -16.278 183 2HG MET 24 HG3 MET 24 20.049 8.987 -15.982 184 1HE MET 24 HE1 MET 24 16.052 8.790 -15.567 185 2HE MET 24 HE2 MET 24 16.334 9.856 -16.964 186 3HE MET 24 HE3 MET 24 15.623 8.244 -17.200 187 H LEU 25 H LEU 25 19.471 8.520 -11.712 188 HA LEU 25 HA LEU 25 17.761 10.202 -10.083 189 1HB LEU 25 HB2 LEU 25 19.293 7.726 -9.244 190 2HB LEU 25 HB3 LEU 25 18.052 8.548 -8.313 191 HG LEU 25 HG LEU 25 17.796 6.806 -10.762 192 1HD1 LEU 25 HD11 LEU 25 16.036 5.779 -9.344 193 2HD1 LEU 25 HD12 LEU 25 17.581 5.878 -8.477 194 3HD1 LEU 25 HD13 LEU 25 16.292 7.042 -8.122 195 1HD2 LEU 25 HD21 LEU 25 15.752 8.901 -9.921 196 2HD2 LEU 25 HD22 LEU 25 16.533 8.718 -11.519 197 3HD2 LEU 25 HD23 LEU 25 15.394 7.497 -10.957 198 H SER 26 H SER 26 21.309 9.583 -10.189 199 HA SER 26 HA SER 26 21.907 10.893 -7.770 200 1HB SER 26 HB2 SER 26 23.553 10.880 -10.333 201 2HB SER 26 HB3 SER 26 24.135 11.323 -8.722 202 HG SER 26 HG SER 26 23.185 8.790 -9.608 203 H MET 27 H MET 27 21.623 12.378 -11.090 204 HA MET 27 HA MET 27 22.022 15.003 -10.023 205 1HB MET 27 HB2 MET 27 21.336 15.885 -12.129 206 2HB MET 27 HB3 MET 27 22.429 14.527 -12.375 207 1HG MET 27 HG2 MET 27 20.569 13.085 -12.980 208 2HG MET 27 HG3 MET 27 19.398 14.359 -12.649 209 1HE MET 27 HE1 MET 27 20.512 16.984 -13.997 210 2HE MET 27 HE2 MET 27 19.813 16.808 -15.618 211 3HE MET 27 HE3 MET 27 18.863 16.344 -14.190 212 H LEU 28 H LEU 28 19.047 13.019 -10.349 213 HA LEU 28 HA LEU 28 17.282 15.215 -9.772 214 1HB LEU 28 HB2 LEU 28 16.960 12.218 -9.402 215 2HB LEU 28 HB3 LEU 28 15.693 13.367 -8.996 216 HG LEU 28 HG LEU 28 16.901 13.083 -11.770 217 1HD1 LEU 28 HD11 LEU 28 14.234 12.085 -10.680 218 2HD1 LEU 28 HD12 LEU 28 14.785 11.971 -12.368 219 3HD1 LEU 28 HD13 LEU 28 15.633 11.074 -11.105 220 1HD2 LEU 28 HD21 LEU 28 14.894 14.394 -12.487 221 2HD2 LEU 28 HD22 LEU 28 14.503 14.680 -10.775 222 3HD2 LEU 28 HD23 LEU 28 15.997 15.329 -11.488 223 H PHE 29 H PHE 29 18.611 12.695 -7.568 224 HA PHE 29 HA PHE 29 17.342 14.032 -5.311 225 1HB PHE 29 HB2 PHE 29 19.198 11.647 -5.569 226 2HB PHE 29 HB3 PHE 29 18.729 12.323 -4.011 227 HD1 PHE 29 HD1 PHE 29 16.722 11.809 -2.954 228 HD2 PHE 29 HD2 PHE 29 17.235 10.804 -7.112 229 HE1 PHE 29 HE1 PHE 29 14.595 10.538 -2.907 230 HE2 PHE 29 HE2 PHE 29 15.116 9.527 -7.061 231 HZ PHE 29 HZ PHE 29 13.784 9.420 -4.973 232 H ASN 30 H ASN 30 20.598 14.301 -6.740 233 HA ASN 30 HA ASN 30 21.924 15.216 -4.442 234 1HB ASN 30 HB2 ASN 30 23.084 14.508 -6.388 235 2HB ASN 30 HB3 ASN 30 22.423 15.860 -7.341 236 1HD2 ASN 30 HD22 ASN 30 23.914 17.538 -7.589 237 2HD2 ASN 30 HD21 ASN 30 25.175 17.919 -6.450 238 H GLN 31 H GLN 31 19.416 16.878 -6.136 239 HA GLN 31 HA GLN 31 20.116 19.564 -5.638 240 1HB GLN 31 HB2 GLN 31 17.790 20.069 -5.854 241 2HB GLN 31 HB3 GLN 31 18.180 18.798 -7.013 242 1HG GLN 31 HG2 GLN 31 17.226 17.110 -5.394 243 2HG GLN 31 HG3 GLN 31 16.765 18.437 -4.333 244 1HE2 GLN 31 HE22 GLN 31 15.943 16.721 -7.258 245 2HE2 GLN 31 HE21 GLN 31 14.460 17.601 -7.612 246 H PHE 32 H PHE 32 19.127 16.997 -3.388 247 HA PHE 32 HA PHE 32 18.465 18.922 -1.272 248 1HB PHE 32 HB2 PHE 32 18.718 15.905 -1.086 249 2HB PHE 32 HB3 PHE 32 17.947 16.971 0.074 250 HD1 PHE 32 HD1 PHE 32 17.345 14.765 -2.607 251 HD2 PHE 32 HD2 PHE 32 15.971 18.535 -1.043 252 HE1 PHE 32 HE1 PHE 32 15.323 14.587 -3.996 253 HE2 PHE 32 HE2 PHE 32 13.927 18.350 -2.441 254 HZ PHE 32 HZ PHE 32 13.638 16.394 -3.971 255 HA PRO 33 HA PRO 33 22.749 19.071 -0.094 256 1HB PRO 33 HB2 PRO 33 22.629 20.413 2.289 257 2HB PRO 33 HB3 PRO 33 22.156 21.147 0.736 258 1HG PRO 33 HG2 PRO 33 20.337 19.843 2.786 259 2HG PRO 33 HG3 PRO 33 20.173 21.465 2.037 260 1HD PRO 33 HD2 PRO 33 18.848 19.288 1.068 261 2HD PRO 33 HD3 PRO 33 19.495 20.550 -0.022 262 H GLY 34 H GLY 34 21.380 16.517 0.489 263 1HA GLY 34 HA2 GLY 34 23.093 15.514 2.692 264 2HA GLY 34 HA3 GLY 34 21.343 15.222 2.743 265 H PHE 35 H PHE 35 21.949 15.111 -0.556 266 HA PHE 35 HA PHE 35 21.721 12.315 -0.777 267 1HB PHE 35 HB2 PHE 35 21.059 13.860 -2.507 268 2HB PHE 35 HB3 PHE 35 22.661 14.599 -2.538 269 HD1 PHE 35 HD1 PHE 35 20.694 11.621 -3.549 270 HD2 PHE 35 HD2 PHE 35 24.508 13.622 -3.764 271 HE1 PHE 35 HE1 PHE 35 21.380 10.110 -5.360 272 HE2 PHE 35 HE2 PHE 35 25.210 12.071 -5.576 273 HZ PHE 35 HZ PHE 35 23.654 10.315 -6.368 274 H LYS 36 H LYS 36 23.242 10.799 -1.360 275 HA LYS 36 HA LYS 36 26.140 11.503 -1.156 276 1HB LYS 36 HB2 LYS 36 24.804 9.064 0.082 277 2HB LYS 36 HB3 LYS 36 26.527 9.299 -0.036 278 1HG LYS 36 HG2 LYS 36 24.619 11.123 1.483 279 2HG LYS 36 HG3 LYS 36 25.537 9.807 2.213 280 1HD LYS 36 HD2 LYS 36 26.684 12.337 0.962 281 2HD LYS 36 HD3 LYS 36 26.559 11.948 2.685 282 1HE LYS 36 HE2 LYS 36 28.007 9.973 2.361 283 2HE LYS 36 HE3 LYS 36 28.178 10.374 0.646 284 1HZ LYS 36 HZ1 LYS 36 29.100 12.079 2.894 285 2HZ LYS 36 HZ2 LYS 36 30.060 11.182 1.933 286 3HZ LYS 36 HZ3 LYS 36 29.257 12.452 1.308 287 H GLU 37 H GLU 37 23.822 8.844 -2.159 288 HA GLU 37 HA GLU 37 25.237 8.686 -4.711 289 1HB GLU 37 HB2 GLU 37 26.511 7.373 -2.662 290 2HB GLU 37 HB3 GLU 37 25.434 6.093 -3.205 291 1HG GLU 37 HG2 GLU 37 26.330 6.328 -5.513 292 2HG GLU 37 HG3 GLU 37 27.318 7.694 -5.006 293 H VAL 38 H VAL 38 24.548 6.529 -5.874 294 HA VAL 38 HA VAL 38 21.795 5.649 -5.293 295 HB VAL 38 HB VAL 38 22.846 6.665 -7.980 296 1HG1 VAL 38 HG11 VAL 38 20.724 6.175 -8.995 297 2HG1 VAL 38 HG12 VAL 38 21.311 4.692 -8.323 298 3HG1 VAL 38 HG13 VAL 38 20.043 5.584 -7.457 299 1HG2 VAL 38 HG21 VAL 38 22.208 8.525 -6.639 300 2HG2 VAL 38 HG22 VAL 38 20.947 8.280 -7.829 301 3HG2 VAL 38 HG23 VAL 38 20.677 7.755 -6.157 302 H ARG 39 H ARG 39 21.464 3.505 -6.138 303 HA ARG 39 HA ARG 39 23.700 2.301 -7.608 304 1HB ARG 39 HB2 ARG 39 23.870 1.542 -5.161 305 2HB ARG 39 HB3 ARG 39 22.330 0.717 -5.428 306 1HG ARG 39 HG2 ARG 39 23.763 -0.995 -5.975 307 2HG ARG 39 HG3 ARG 39 23.575 -0.286 -7.565 308 1HD ARG 39 HD2 ARG 39 25.920 -0.154 -5.672 309 2HD ARG 39 HD3 ARG 39 25.877 -0.754 -7.316 310 HE ARG 39 HE ARG 39 25.708 1.576 -8.136 311 1HH1 ARG 39 HH21 ARG 39 26.653 1.291 -4.667 312 2HH1 ARG 39 HH22 ARG 39 27.452 2.854 -4.715 313 1HH2 ARG 39 HH11 ARG 39 26.933 3.550 -8.047 314 2HH2 ARG 39 HH12 ARG 39 27.619 4.026 -6.493 315 H LEU 40 H LEU 40 22.794 2.015 -9.526 316 HA LEU 40 HA LEU 40 19.901 1.528 -9.859 317 1HB LEU 40 HB2 LEU 40 21.958 2.697 -11.419 318 2HB LEU 40 HB3 LEU 40 21.696 1.151 -12.181 319 HG LEU 40 HG LEU 40 20.440 2.931 -13.225 320 1HD1 LEU 40 HD11 LEU 40 18.274 1.941 -13.388 321 2HD1 LEU 40 HD12 LEU 40 19.457 0.644 -13.220 322 3HD1 LEU 40 HD13 LEU 40 18.431 1.134 -11.829 323 1HD2 LEU 40 HD21 LEU 40 18.938 3.335 -10.618 324 2HD2 LEU 40 HD22 LEU 40 20.085 4.455 -11.354 325 3HD2 LEU 40 HD23 LEU 40 18.572 4.099 -12.173 326 H VAL 41 H VAL 41 19.340 -0.371 -11.296 327 HA VAL 41 HA VAL 41 21.031 -2.773 -10.779 328 HB VAL 41 HB VAL 41 17.998 -2.674 -10.816 329 1HG1 VAL 41 HG11 VAL 41 19.981 -4.941 -10.289 330 2HG1 VAL 41 HG12 VAL 41 18.224 -5.054 -10.081 331 3HG1 VAL 41 HG13 VAL 41 18.892 -4.794 -11.691 332 1HG2 VAL 41 HG21 VAL 41 18.778 -1.711 -8.710 333 2HG2 VAL 41 HG22 VAL 41 18.217 -3.355 -8.402 334 3HG2 VAL 41 HG23 VAL 41 19.957 -3.023 -8.499 335 HA PRO 42 HA PRO 42 20.678 -1.542 -15.149 336 1HB PRO 42 HB2 PRO 42 23.239 -2.036 -16.018 337 2HB PRO 42 HB3 PRO 42 22.816 -0.647 -14.981 338 1HG PRO 42 HG2 PRO 42 23.855 -3.360 -14.089 339 2HG PRO 42 HG3 PRO 42 24.515 -1.740 -13.682 340 1HD PRO 42 HD2 PRO 42 22.803 -3.020 -12.016 341 2HD PRO 42 HD3 PRO 42 22.690 -1.250 -12.267 342 H ASN 43 H ASN 43 19.833 -4.039 -14.083 343 HA ASN 43 HA ASN 43 19.762 -5.552 -16.549 344 1HB ASN 43 HB2 ASN 43 19.804 -7.707 -15.490 345 2HB ASN 43 HB3 ASN 43 21.260 -6.840 -15.035 346 1HD2 ASN 43 HD22 ASN 43 21.683 -6.607 -12.809 347 2HD2 ASN 43 HD21 ASN 43 20.551 -7.054 -11.559 348 H ARG 44 H ARG 44 18.074 -3.865 -14.065 349 HA ARG 44 HA ARG 44 15.578 -4.837 -15.338 350 1HB ARG 44 HB2 ARG 44 16.236 -4.731 -12.425 351 2HB ARG 44 HB3 ARG 44 14.717 -3.979 -12.880 352 1HG ARG 44 HG2 ARG 44 14.125 -6.098 -14.174 353 2HG ARG 44 HG3 ARG 44 15.575 -6.838 -13.480 354 1HD ARG 44 HD2 ARG 44 13.632 -7.496 -12.205 355 2HD ARG 44 HD3 ARG 44 14.642 -6.447 -11.197 356 HE ARG 44 HE ARG 44 12.850 -4.697 -12.391 357 1HH1 ARG 44 HH11 ARG 44 12.473 -7.593 -10.354 358 2HH1 ARG 44 HH12 ARG 44 10.982 -7.073 -9.662 359 1HH2 ARG 44 HH22 ARG 44 10.900 -4.008 -11.503 360 2HH2 ARG 44 HH21 ARG 44 10.056 -4.987 -10.340 361 H HIS 45 H HIS 45 17.339 -2.134 -13.898 362 HA HIS 45 HA HIS 45 17.238 0.030 -14.058 363 1HB HIS 45 HB2 HIS 45 15.716 -0.406 -16.638 364 2HB HIS 45 HB3 HIS 45 16.408 1.116 -16.105 365 HD1 HIS 45 HD1 HIS 45 19.028 1.441 -16.419 366 HD2 HIS 45 HD2 HIS 45 17.490 -2.347 -17.446 367 HE1 HIS 45 HE1 HIS 45 20.888 0.218 -17.665 368 H ASP 46 H ASP 46 14.059 -1.501 -14.064 369 HA ASP 46 HA ASP 46 12.631 0.956 -13.621 370 1HB ASP 46 HB2 ASP 46 10.694 -0.319 -13.559 371 2HB ASP 46 HB3 ASP 46 11.717 -1.130 -14.740 372 H ILE 47 H ILE 47 14.667 -0.782 -11.600 373 HA ILE 47 HA ILE 47 13.460 0.388 -9.174 374 HB ILE 47 HB ILE 47 14.118 -1.588 -7.932 375 1HG1 ILE 47 HG12 ILE 47 15.489 -2.353 -10.533 376 2HG1 ILE 47 HG13 ILE 47 16.143 -2.253 -8.897 377 1HG2 ILE 47 HG21 ILE 47 11.904 -1.569 -9.221 378 2HG2 ILE 47 HG22 ILE 47 12.686 -2.633 -10.391 379 3HG2 ILE 47 HG23 ILE 47 12.500 -3.158 -8.708 380 1HD1 ILE 47 HD11 ILE 47 14.312 -4.343 -10.034 381 2HD1 ILE 47 HD12 ILE 47 16.021 -4.525 -9.628 382 3HD1 ILE 47 HD13 ILE 47 14.832 -4.281 -8.313 383 H ALA 48 H ALA 48 15.103 0.736 -7.454 384 HA ALA 48 HA ALA 48 17.932 0.735 -8.089 385 1HB ALA 48 HB1 ALA 48 17.120 2.748 -9.410 386 2HB ALA 48 HB2 ALA 48 16.507 3.436 -7.891 387 3HB ALA 48 HB3 ALA 48 18.248 3.178 -8.116 388 H PHE 49 H PHE 49 19.122 2.044 -6.356 389 HA PHE 49 HA PHE 49 17.614 2.315 -3.826 390 1HB PHE 49 HB2 PHE 49 20.430 1.213 -4.202 391 2HB PHE 49 HB3 PHE 49 19.765 1.708 -2.659 392 HD1 PHE 49 HD1 PHE 49 18.365 0.272 -1.363 393 HD2 PHE 49 HD2 PHE 49 19.404 -0.792 -5.417 394 HE1 PHE 49 HE1 PHE 49 17.513 -2.030 -0.984 395 HE2 PHE 49 HE2 PHE 49 18.512 -3.081 -5.045 396 HZ PHE 49 HZ PHE 49 17.587 -3.709 -2.819 397 H VAL 50 H VAL 50 18.402 4.115 -2.548 398 HA VAL 50 HA VAL 50 20.363 5.946 -3.817 399 HB VAL 50 HB VAL 50 17.620 6.783 -2.789 400 1HG1 VAL 50 HG11 VAL 50 18.195 9.003 -3.703 401 2HG1 VAL 50 HG12 VAL 50 19.307 8.524 -2.416 402 3HG1 VAL 50 HG13 VAL 50 19.824 8.421 -4.108 403 1HG2 VAL 50 HG21 VAL 50 17.093 7.421 -5.110 404 2HG2 VAL 50 HG22 VAL 50 18.622 6.692 -5.657 405 3HG2 VAL 50 HG23 VAL 50 17.348 5.683 -4.951 406 H GLU 51 H GLU 51 21.505 7.202 -2.228 407 HA GLU 51 HA GLU 51 21.230 6.253 0.586 408 1HB GLU 51 HB2 GLU 51 22.885 4.885 -0.599 409 2HB GLU 51 HB3 GLU 51 23.715 6.333 -1.184 410 1HG GLU 51 HG2 GLU 51 24.306 6.968 1.115 411 2HG GLU 51 HG3 GLU 51 23.398 5.600 1.758 412 H PHE 52 H PHE 52 21.737 7.738 2.108 413 HA PHE 52 HA PHE 52 22.342 10.531 1.294 414 1HB PHE 52 HB2 PHE 52 19.934 9.306 2.588 415 2HB PHE 52 HB3 PHE 52 20.493 10.799 3.289 416 HD1 PHE 52 HD1 PHE 52 19.602 9.347 -0.075 417 HD2 PHE 52 HD2 PHE 52 19.839 12.852 2.424 418 HE1 PHE 52 HE1 PHE 52 18.567 10.705 -1.870 419 HE2 PHE 52 HE2 PHE 52 18.760 14.196 0.641 420 HZ PHE 52 HZ PHE 52 18.175 13.128 -1.526 421 H THR 53 H THR 53 22.859 11.877 3.054 422 HA THR 53 HA THR 53 24.815 11.017 4.911 423 HB THR 53 HB THR 53 23.033 13.500 4.782 424 HG1 THR 53 HG1 THR 53 24.239 13.307 2.946 425 1HG2 THR 53 HG21 THR 53 25.605 13.041 6.336 426 2HG2 THR 53 HG22 THR 53 24.868 14.639 6.035 427 3HG2 THR 53 HG23 THR 53 23.991 13.429 6.980 428 H THR 54 H THR 54 21.364 11.991 5.372 429 HA THR 54 HA THR 54 21.306 10.548 7.955 430 HB THR 54 HB THR 54 19.948 12.822 8.543 431 HG1 THR 54 HG1 THR 54 21.129 14.578 7.794 432 1HG2 THR 54 HG21 THR 54 21.731 11.868 9.907 433 2HG2 THR 54 HG22 THR 54 22.960 12.477 8.783 434 3HG2 THR 54 HG23 THR 54 21.962 13.613 9.718 435 H GLU 55 H GLU 55 19.341 10.129 8.748 436 HA GLU 55 HA GLU 55 17.494 9.011 6.911 437 1HB GLU 55 HB2 GLU 55 16.903 9.593 9.838 438 2HB GLU 55 HB3 GLU 55 16.227 8.346 8.798 439 1HG GLU 55 HG2 GLU 55 17.668 7.045 9.950 440 2HG GLU 55 HG3 GLU 55 18.761 7.519 8.660 441 H LEU 56 H LEU 56 17.454 12.086 8.707 442 HA LEU 56 HA LEU 56 14.712 12.735 8.076 443 1HB LEU 56 HB2 LEU 56 17.094 14.324 9.101 444 2HB LEU 56 HB3 LEU 56 15.615 15.133 8.623 445 HG LEU 56 HG LEU 56 15.697 14.838 11.014 446 1HD1 LEU 56 HD11 LEU 56 13.483 13.962 11.395 447 2HD1 LEU 56 HD12 LEU 56 13.491 14.829 9.853 448 3HD1 LEU 56 HD13 LEU 56 13.506 13.050 9.877 449 1HD2 LEU 56 HD21 LEU 56 15.577 11.822 10.602 450 2HD2 LEU 56 HD22 LEU 56 17.014 12.733 11.132 451 3HD2 LEU 56 HD23 LEU 56 15.560 12.702 12.140 452 H GLN 57 H GLN 57 17.849 13.405 6.477 453 HA GLN 57 HA GLN 57 16.623 15.273 4.610 454 1HB GLN 57 HB2 GLN 57 19.341 13.890 4.533 455 2HB GLN 57 HB3 GLN 57 18.784 15.167 3.432 456 1HG GLN 57 HG2 GLN 57 18.334 16.575 5.566 457 2HG GLN 57 HG3 GLN 57 19.304 15.366 6.417 458 1HE2 GLN 57 HE22 GLN 57 21.594 15.117 5.758 459 2HE2 GLN 57 HE21 GLN 57 22.401 16.428 4.896 460 H SER 58 H SER 58 17.528 11.787 4.514 461 HA SER 58 HA SER 58 16.592 11.365 1.834 462 1HB SER 58 HB2 SER 58 16.214 8.959 2.820 463 2HB SER 58 HB3 SER 58 17.830 9.589 2.540 464 HG SER 58 HG SER 58 18.033 10.045 4.739 465 H ASN 59 H ASN 59 14.881 11.274 5.039 466 HA ASN 59 HA ASN 59 12.364 10.569 3.983 467 1HB ASN 59 HB2 ASN 59 12.772 10.603 6.394 468 2HB ASN 59 HB3 ASN 59 13.033 12.342 6.357 469 1HD2 ASN 59 HD22 ASN 59 11.284 13.390 7.256 470 2HD2 ASN 59 HD21 ASN 59 9.619 12.947 6.988 471 H ALA 60 H ALA 60 13.754 13.857 4.390 472 HA ALA 60 HA ALA 60 11.527 15.234 3.275 473 1HB ALA 60 HB1 ALA 60 14.474 16.011 3.182 474 2HB ALA 60 HB2 ALA 60 13.089 17.091 2.915 475 3HB ALA 60 HB3 ALA 60 13.341 16.360 4.513 476 H ALA 61 H ALA 61 14.403 13.857 1.671 477 HA ALA 61 HA ALA 61 13.738 14.711 -0.967 478 1HB ALA 61 HB1 ALA 61 15.981 13.889 -0.294 479 2HB ALA 61 HB2 ALA 61 15.319 12.248 -0.098 480 3HB ALA 61 HB3 ALA 61 15.324 13.018 -1.695 481 H LYS 62 H LYS 62 12.901 11.732 0.852 482 HA LYS 62 HA LYS 62 11.525 10.386 -1.220 483 1HB LYS 62 HB2 LYS 62 12.203 9.277 0.834 484 2HB LYS 62 HB3 LYS 62 11.179 10.331 1.811 485 1HG LYS 62 HG2 LYS 62 9.151 9.391 0.772 486 2HG LYS 62 HG3 LYS 62 10.156 8.357 -0.252 487 1HD LYS 62 HD2 LYS 62 11.108 7.302 1.837 488 2HD LYS 62 HD3 LYS 62 9.996 8.312 2.788 489 1HE LYS 62 HE2 LYS 62 8.077 7.288 1.473 490 2HE LYS 62 HE3 LYS 62 9.241 6.184 0.727 491 1HZ LYS 62 HZ1 LYS 62 8.529 6.351 3.593 492 2HZ LYS 62 HZ2 LYS 62 8.245 5.094 2.584 493 3HZ LYS 62 HZ3 LYS 62 9.771 5.433 3.040 494 H GLU 63 H GLU 63 10.252 12.621 1.332 495 HA GLU 63 HA GLU 63 7.586 12.634 0.399 496 1HB GLU 63 HB2 GLU 63 9.227 14.764 1.836 497 2HB GLU 63 HB3 GLU 63 7.492 14.900 1.573 498 1HG GLU 63 HG2 GLU 63 8.780 12.592 3.095 499 2HG GLU 63 HG3 GLU 63 8.205 14.068 3.849 500 H ALA 64 H ALA 64 10.380 14.577 -0.610 501 HA ALA 64 HA ALA 64 8.946 16.394 -2.262 502 1HB ALA 64 HB1 ALA 64 11.179 16.992 -3.099 503 2HB ALA 64 HB2 ALA 64 11.199 16.813 -1.329 504 3HB ALA 64 HB3 ALA 64 11.861 15.527 -2.367 505 H LEU 65 H LEU 65 10.568 13.260 -3.051 506 HA LEU 65 HA LEU 65 9.779 13.674 -5.898 507 1HB LEU 65 HB2 LEU 65 12.031 12.045 -4.686 508 2HB LEU 65 HB3 LEU 65 11.608 12.055 -6.393 509 HG LEU 65 HG LEU 65 12.612 14.442 -4.805 510 1HD1 LEU 65 HD11 LEU 65 13.871 12.801 -7.051 511 2HD1 LEU 65 HD12 LEU 65 14.581 14.251 -6.305 512 3HD1 LEU 65 HD13 LEU 65 14.341 12.786 -5.343 513 1HD2 LEU 65 HD21 LEU 65 12.736 15.608 -7.010 514 2HD2 LEU 65 HD22 LEU 65 11.851 14.261 -7.755 515 3HD2 LEU 65 HD23 LEU 65 11.077 15.287 -6.524 516 H GLN 66 H GLN 66 8.667 11.789 -3.305 517 HA GLN 66 HA GLN 66 7.916 9.408 -4.686 518 1HB GLN 66 HB2 GLN 66 6.718 11.056 -2.455 519 2HB GLN 66 HB3 GLN 66 5.736 9.789 -3.181 520 1HG GLN 66 HG2 GLN 66 8.539 9.037 -2.365 521 2HG GLN 66 HG3 GLN 66 7.350 9.322 -1.098 522 1HE2 GLN 66 HE22 GLN 66 6.413 7.423 -0.431 523 2HE2 GLN 66 HE21 GLN 66 6.206 6.012 -1.436 524 H GLY 67 H GLY 67 6.785 9.116 -6.504 525 1HA GLY 67 HA2 GLY 67 5.070 9.317 -7.990 526 2HA GLY 67 HA3 GLY 67 4.459 10.749 -7.156 527 H PHE 68 H PHE 68 7.811 11.204 -7.793 528 HA PHE 68 HA PHE 68 7.265 13.285 -9.711 529 1HB PHE 68 HB2 PHE 68 9.090 13.419 -8.087 530 2HB PHE 68 HB3 PHE 68 9.834 11.973 -8.753 531 HD1 PHE 68 HD1 PHE 68 9.174 15.577 -9.310 532 HD2 PHE 68 HD2 PHE 68 11.127 12.040 -10.830 533 HE1 PHE 68 HE1 PHE 68 10.532 16.979 -10.842 534 HE2 PHE 68 HE2 PHE 68 12.486 13.449 -12.352 535 HZ PHE 68 HZ PHE 68 12.194 15.919 -12.361 536 H LYS 69 H LYS 69 6.997 13.019 -11.860 537 HA LYS 69 HA LYS 69 7.471 10.516 -13.258 538 1HB LYS 69 HB2 LYS 69 6.511 13.256 -14.012 539 2HB LYS 69 HB3 LYS 69 7.445 12.414 -15.244 540 1HG LYS 69 HG2 LYS 69 5.234 11.853 -15.693 541 2HG LYS 69 HG3 LYS 69 5.984 10.416 -15.005 542 1HD LYS 69 HD2 LYS 69 4.954 10.987 -12.785 543 2HD LYS 69 HD3 LYS 69 4.094 12.325 -13.591 544 1HE LYS 69 HE2 LYS 69 3.266 10.579 -15.291 545 2HE LYS 69 HE3 LYS 69 3.912 9.334 -14.221 546 1HZ LYS 69 HZ1 LYS 69 1.778 11.297 -13.541 547 2HZ LYS 69 HZ2 LYS 69 1.554 9.712 -13.816 548 3HZ LYS 69 HZ3 LYS 69 2.366 10.198 -12.487 549 H ILE 70 H ILE 70 9.427 9.736 -13.484 550 HA ILE 70 HA ILE 70 11.830 11.437 -13.786 551 HB ILE 70 HB ILE 70 11.376 8.466 -14.213 552 1HG1 ILE 70 HG12 ILE 70 12.860 9.960 -11.999 553 2HG1 ILE 70 HG13 ILE 70 11.199 9.392 -11.832 554 1HG2 ILE 70 HG21 ILE 70 13.252 9.357 -15.613 555 2HG2 ILE 70 HG22 ILE 70 13.959 10.110 -14.169 556 3HG2 ILE 70 HG23 ILE 70 13.870 8.344 -14.316 557 1HD1 ILE 70 HD11 ILE 70 11.858 7.086 -12.057 558 2HD1 ILE 70 HD12 ILE 70 13.551 7.533 -12.362 559 3HD1 ILE 70 HD13 ILE 70 12.828 7.876 -10.794 560 H THR 71 H THR 71 9.649 9.388 -15.841 561 HA THR 71 HA THR 71 9.900 11.361 -17.999 562 HB THR 71 HB THR 71 9.767 9.460 -19.646 563 HG1 THR 71 HG1 THR 71 10.635 7.460 -18.869 564 1HG2 THR 71 HG21 THR 71 11.928 10.647 -19.181 565 2HG2 THR 71 HG22 THR 71 12.320 9.395 -17.981 566 3HG2 THR 71 HG23 THR 71 12.145 8.967 -19.696 567 HA PRO 72 HA PRO 72 5.711 11.782 -17.900 568 1HB PRO 72 HB2 PRO 72 5.320 10.418 -20.572 569 2HB PRO 72 HB3 PRO 72 4.560 11.925 -19.960 570 1HG PRO 72 HG2 PRO 72 6.715 12.096 -21.568 571 2HG PRO 72 HG3 PRO 72 6.644 13.110 -20.089 572 1HD PRO 72 HD2 PRO 72 8.142 10.536 -20.543 573 2HD PRO 72 HD3 PRO 72 8.675 12.020 -19.696 574 H THR 73 H THR 73 6.501 8.389 -18.417 575 HA THR 73 HA THR 73 3.871 7.575 -17.316 576 HB THR 73 HB THR 73 4.441 5.428 -18.665 577 HG1 THR 73 HG1 THR 73 5.902 5.710 -20.323 578 1HG2 THR 73 HG21 THR 73 3.950 8.006 -20.232 579 2HG2 THR 73 HG22 THR 73 3.549 6.353 -20.748 580 3HG2 THR 73 HG23 THR 73 2.711 7.072 -19.366 581 H HIS 74 H HIS 74 6.763 8.144 -16.088 582 HA HIS 74 HA HIS 74 6.809 5.662 -14.444 583 1HB HIS 74 HB2 HIS 74 9.219 7.040 -15.672 584 2HB HIS 74 HB3 HIS 74 9.247 5.679 -14.544 585 HD1 HIS 74 HD1 HIS 74 8.918 6.426 -18.187 586 HD2 HIS 74 HD2 HIS 74 8.070 3.295 -15.510 587 HE1 HIS 74 HE1 HIS 74 8.503 4.346 -19.621 588 H ALA 75 H ALA 75 5.484 7.067 -13.150 589 HA ALA 75 HA ALA 75 6.701 9.222 -11.604 590 1HB ALA 75 HB1 ALA 75 4.752 8.822 -10.116 591 2HB ALA 75 HB2 ALA 75 4.241 9.021 -11.797 592 3HB ALA 75 HB3 ALA 75 4.296 7.404 -11.071 593 H MET 76 H MET 76 8.584 8.636 -10.480 594 HA MET 76 HA MET 76 9.169 5.994 -9.711 595 1HB MET 76 HB2 MET 76 10.983 6.792 -8.506 596 2HB MET 76 HB3 MET 76 10.766 7.955 -9.816 597 1HG MET 76 HG2 MET 76 9.792 9.563 -8.243 598 2HG MET 76 HG3 MET 76 9.861 8.360 -6.945 599 1HE MET 76 HE1 MET 76 13.542 10.553 -8.697 600 2HE MET 76 HE2 MET 76 12.280 9.815 -9.704 601 3HE MET 76 HE3 MET 76 11.908 11.235 -8.706 602 H LYS 77 H LYS 77 8.980 4.791 -7.838 603 HA LYS 77 HA LYS 77 7.241 5.861 -5.658 604 1HB LYS 77 HB2 LYS 77 6.143 3.990 -6.791 605 2HB LYS 77 HB3 LYS 77 7.630 3.032 -6.712 606 1HG LYS 77 HG2 LYS 77 7.517 2.965 -4.270 607 2HG LYS 77 HG3 LYS 77 6.082 3.994 -4.261 608 1HD LYS 77 HD2 LYS 77 6.282 1.239 -5.539 609 2HD LYS 77 HD3 LYS 77 5.709 1.511 -3.898 610 1HE LYS 77 HE2 LYS 77 4.391 2.491 -6.464 611 2HE LYS 77 HE3 LYS 77 3.909 1.097 -5.487 612 1HZ LYS 77 HZ1 LYS 77 3.405 2.615 -3.664 613 2HZ LYS 77 HZ2 LYS 77 3.818 3.916 -4.570 614 3HZ LYS 77 HZ3 LYS 77 2.538 3.001 -4.985 615 H ILE 78 H ILE 78 8.121 5.612 -3.611 616 HA ILE 78 HA ILE 78 10.949 4.702 -3.406 617 HB ILE 78 HB ILE 78 9.736 7.119 -2.042 618 1HG1 ILE 78 HG12 ILE 78 11.189 7.122 -4.715 619 2HG1 ILE 78 HG13 ILE 78 9.575 7.703 -4.363 620 1HG2 ILE 78 HG21 ILE 78 12.036 7.771 -1.555 621 2HG2 ILE 78 HG22 ILE 78 11.778 6.140 -0.989 622 3HG2 ILE 78 HG23 ILE 78 12.656 6.416 -2.505 623 1HD1 ILE 78 HD11 ILE 78 11.021 9.580 -4.659 624 2HD1 ILE 78 HD12 ILE 78 10.548 9.516 -2.960 625 3HD1 ILE 78 HD13 ILE 78 12.168 8.986 -3.452 626 H THR 79 H THR 79 11.493 3.771 -1.450 627 HA THR 79 HA THR 79 9.560 3.433 0.764 628 HB THR 79 HB THR 79 10.722 0.943 0.525 629 HG1 THR 79 HG1 THR 79 11.306 1.658 -1.748 630 1HG2 THR 79 HG21 THR 79 8.064 1.738 -0.741 631 2HG2 THR 79 HG22 THR 79 8.560 0.106 -0.214 632 3HG2 THR 79 HG23 THR 79 8.328 1.384 0.981 633 H PHE 80 H PHE 80 10.787 3.036 2.779 634 HA PHE 80 HA PHE 80 13.597 3.918 2.666 635 1HB PHE 80 HB2 PHE 80 11.769 2.984 4.901 636 2HB PHE 80 HB3 PHE 80 13.483 3.310 5.137 637 HD1 PHE 80 HD1 PHE 80 14.341 5.667 4.292 638 HD2 PHE 80 HD2 PHE 80 10.263 4.759 5.321 639 HE1 PHE 80 HE1 PHE 80 13.882 8.090 4.580 640 HE2 PHE 80 HE2 PHE 80 9.816 7.179 5.678 641 HZ PHE 80 HZ PHE 80 11.602 8.840 5.264 642 H ALA 81 H ALA 81 15.290 2.573 2.492 643 HA ALA 81 HA ALA 81 14.903 -0.362 2.327 644 1HB ALA 81 HB1 ALA 81 16.374 0.793 0.664 645 2HB ALA 81 HB2 ALA 81 17.416 1.337 2.000 646 3HB ALA 81 HB3 ALA 81 17.251 -0.389 1.636 647 H LYS 82 H LYS 82 17.190 -1.265 3.569 648 HA LYS 82 HA LYS 82 16.895 -0.394 6.424 649 1HB LYS 82 HB2 LYS 82 17.199 -3.164 5.197 650 2HB LYS 82 HB3 LYS 82 17.393 -2.838 6.922 651 1HG LYS 82 HG2 LYS 82 15.117 -2.045 7.129 652 2HG LYS 82 HG3 LYS 82 14.839 -2.190 5.385 653 1HD LYS 82 HD2 LYS 82 15.222 -4.618 5.480 654 2HD LYS 82 HD3 LYS 82 15.554 -4.520 7.223 655 1HE LYS 82 HE2 LYS 82 13.253 -3.705 7.621 656 2HE LYS 82 HE3 LYS 82 12.915 -3.774 5.883 657 1HZ LYS 82 HZ1 LYS 82 13.266 -6.180 5.990 658 2HZ LYS 82 HZ2 LYS 82 13.577 -6.106 7.593 659 3HZ LYS 82 HZ3 LYS 82 12.094 -5.738 7.033 660 H LYS 83 H LYS 83 18.844 -1.431 7.698 661 HA LYS 83 HA LYS 83 21.393 -1.434 6.279 662 1HB LYS 83 HB2 LYS 83 20.708 0.461 8.579 663 2HB LYS 83 HB3 LYS 83 22.348 -0.129 8.294 664 1HG LYS 83 HG2 LYS 83 22.339 0.826 6.019 665 2HG LYS 83 HG3 LYS 83 20.693 1.413 6.257 666 1HD LYS 83 HD2 LYS 83 22.288 3.232 6.551 667 2HD LYS 83 HD3 LYS 83 21.408 2.907 8.038 668 1HE LYS 83 HE2 LYS 83 23.701 3.371 8.587 669 2HE LYS 83 HE3 LYS 83 23.360 1.683 8.954 670 1HZ LYS 83 HZ1 LYS 83 25.485 1.954 7.844 671 2HZ LYS 83 HZ2 LYS 83 24.505 1.078 6.886 672 3HZ LYS 83 HZ3 LYS 83 24.802 2.655 6.547 Start of MODEL 4 1 1H ALA 1 H1 ALA 1 8.917 -7.852 -1.885 2 2H ALA 1 H2 ALA 1 9.009 -8.784 -3.233 3 3H ALA 1 H3 ALA 1 10.153 -7.650 -2.937 4 HA ALA 1 HA ALA 1 8.709 -6.898 -4.651 5 1HB ALA 1 HB1 ALA 1 6.337 -6.405 -4.161 6 2HB ALA 1 HB2 ALA 1 6.694 -8.137 -4.082 7 3HB ALA 1 HB3 ALA 1 6.488 -7.209 -2.583 8 H GLN 2 H GLN 2 7.338 -5.551 -1.593 9 HA GLN 2 HA GLN 2 9.284 -3.374 -1.556 10 1HB GLN 2 HB2 GLN 2 6.453 -3.109 -2.548 11 2HB GLN 2 HB3 GLN 2 6.920 -1.934 -1.337 12 1HG GLN 2 HG2 GLN 2 8.473 -2.383 -3.923 13 2HG GLN 2 HG3 GLN 2 7.245 -1.145 -3.669 14 1HE2 GLN 2 HE22 GLN 2 9.232 0.295 -4.307 15 2HE2 GLN 2 HE21 GLN 2 10.163 0.849 -2.919 16 H THR 3 H THR 3 8.940 -2.035 0.420 17 HA THR 3 HA THR 3 7.303 -3.197 2.565 18 HB THR 3 HB THR 3 9.385 -3.046 4.098 19 HG1 THR 3 HG1 THR 3 10.735 -2.141 2.377 20 1HG2 THR 3 HG21 THR 3 8.285 -5.199 3.458 21 2HG2 THR 3 HG22 THR 3 9.406 -5.325 2.083 22 3HG2 THR 3 HG23 THR 3 10.025 -5.340 3.748 23 H GLU 4 H GLU 4 7.404 -1.677 4.537 24 HA GLU 4 HA GLU 4 8.232 1.083 3.884 25 1HB GLU 4 HB2 GLU 4 5.476 0.248 4.902 26 2HB GLU 4 HB3 GLU 4 6.116 1.894 4.976 27 1HG GLU 4 HG2 GLU 4 6.340 1.921 2.497 28 2HG GLU 4 HG3 GLU 4 5.636 0.303 2.421 29 H GLN 5 H GLN 5 8.796 2.240 5.797 30 HA GLN 5 HA GLN 5 9.004 0.879 8.381 31 1HB GLN 5 HB2 GLN 5 11.354 1.487 6.505 32 2HB GLN 5 HB3 GLN 5 11.581 1.306 8.227 33 1HG GLN 5 HG2 GLN 5 10.551 -0.881 6.378 34 2HG GLN 5 HG3 GLN 5 12.177 -0.704 6.997 35 1HE2 GLN 5 HE22 GLN 5 8.851 -1.534 7.895 36 2HE2 GLN 5 HE21 GLN 5 9.260 -2.283 9.433 37 HA PRO 6 HA PRO 6 9.531 5.287 9.518 38 1HB PRO 6 HB2 PRO 6 11.434 5.170 11.524 39 2HB PRO 6 HB3 PRO 6 9.705 4.774 11.754 40 1HG PRO 6 HG2 PRO 6 12.005 2.870 11.223 41 2HG PRO 6 HG3 PRO 6 10.728 2.742 12.478 42 1HD PRO 6 HD2 PRO 6 10.544 1.383 10.149 43 2HD PRO 6 HD3 PRO 6 9.095 2.125 10.876 44 HA PRO 7 HA PRO 7 12.774 6.861 7.092 45 1HB PRO 7 HB2 PRO 7 13.808 8.393 9.491 46 2HB PRO 7 HB3 PRO 7 13.611 8.960 7.804 47 1HG PRO 7 HG2 PRO 7 11.710 9.536 9.636 48 2HG PRO 7 HG3 PRO 7 11.220 8.958 8.009 49 1HD PRO 7 HD2 PRO 7 11.370 7.400 10.594 50 2HD PRO 7 HD3 PRO 7 10.127 7.352 9.307 51 H ASN 8 H ASN 8 14.807 6.452 6.353 52 HA ASN 8 HA ASN 8 16.975 5.527 8.098 53 1HB ASN 8 HB2 ASN 8 15.817 3.389 7.475 54 2HB ASN 8 HB3 ASN 8 15.870 3.861 5.780 55 1HD2 ASN 8 HD22 ASN 8 17.107 2.032 5.189 56 2HD2 ASN 8 HD21 ASN 8 18.824 1.938 5.559 57 H GLN 9 H GLN 9 19.019 5.856 6.995 58 HA GLN 9 HA GLN 9 18.980 7.996 5.042 59 1HB GLN 9 HB2 GLN 9 21.320 8.125 5.368 60 2HB GLN 9 HB3 GLN 9 20.572 7.894 6.936 61 1HG GLN 9 HG2 GLN 9 21.190 5.463 6.860 62 2HG GLN 9 HG3 GLN 9 21.979 5.730 5.301 63 1HE2 GLN 9 HE22 GLN 9 23.651 7.683 5.336 64 2HE2 GLN 9 HE21 GLN 9 24.704 7.695 6.731 65 H ILE 10 H ILE 10 18.138 5.030 4.278 66 HA ILE 10 HA ILE 10 19.514 5.044 1.693 67 HB ILE 10 HB ILE 10 19.192 2.437 3.221 68 1HG1 ILE 10 HG12 ILE 10 21.724 4.112 2.989 69 2HG1 ILE 10 HG13 ILE 10 20.859 3.693 4.472 70 1HG2 ILE 10 HG21 ILE 10 19.229 2.373 0.697 71 2HG2 ILE 10 HG22 ILE 10 20.838 3.115 0.741 72 3HG2 ILE 10 HG23 ILE 10 20.557 1.498 1.428 73 1HD1 ILE 10 HD11 ILE 10 21.371 1.270 4.034 74 2HD1 ILE 10 HD12 ILE 10 22.442 1.801 2.711 75 3HD1 ILE 10 HD13 ILE 10 22.776 2.302 4.374 76 H LEU 11 H LEU 11 18.121 4.423 0.115 77 HA LEU 11 HA LEU 11 15.236 4.053 0.798 78 1HB LEU 11 HB2 LEU 11 16.745 6.060 -0.863 79 2HB LEU 11 HB3 LEU 11 15.253 5.445 -1.542 80 HG LEU 11 HG LEU 11 13.906 6.350 0.154 81 1HD1 LEU 11 HD11 LEU 11 14.784 7.563 2.126 82 2HD1 LEU 11 HD12 LEU 11 15.131 5.842 2.170 83 3HD1 LEU 11 HD13 LEU 11 16.426 6.966 1.731 84 1HD2 LEU 11 HD21 LEU 11 14.795 7.963 -1.533 85 2HD2 LEU 11 HD22 LEU 11 14.458 8.754 0.018 86 3HD2 LEU 11 HD23 LEU 11 16.127 8.367 -0.434 87 H PHE 12 H PHE 12 14.088 2.856 -0.745 88 HA PHE 12 HA PHE 12 15.641 1.477 -2.875 89 1HB PHE 12 HB2 PHE 12 15.076 -0.175 -1.155 90 2HB PHE 12 HB3 PHE 12 13.405 0.379 -1.130 91 HD1 PHE 12 HD1 PHE 12 11.887 -1.015 -2.234 92 HD2 PHE 12 HD2 PHE 12 15.901 -0.733 -3.757 93 HE1 PHE 12 HE1 PHE 12 11.360 -2.733 -3.944 94 HE2 PHE 12 HE2 PHE 12 15.364 -2.407 -5.499 95 HZ PHE 12 HZ PHE 12 13.093 -3.426 -5.592 96 H LEU 13 H LEU 13 14.567 1.506 -4.849 97 HA LEU 13 HA LEU 13 12.182 3.283 -5.018 98 1HB LEU 13 HB2 LEU 13 14.944 3.551 -6.202 99 2HB LEU 13 HB3 LEU 13 13.581 3.908 -7.224 100 HG LEU 13 HG LEU 13 12.739 5.561 -5.488 101 1HD1 LEU 13 HD11 LEU 13 14.576 6.485 -3.992 102 2HD1 LEU 13 HD12 LEU 13 13.947 4.912 -3.506 103 3HD1 LEU 13 HD13 LEU 13 15.510 5.009 -4.327 104 1HD2 LEU 13 HD21 LEU 13 14.325 7.280 -6.237 105 2HD2 LEU 13 HD22 LEU 13 15.490 6.032 -6.727 106 3HD2 LEU 13 HD23 LEU 13 13.939 6.202 -7.575 107 H THR 14 H THR 14 10.792 2.778 -6.628 108 HA THR 14 HA THR 14 11.402 0.592 -8.527 109 HB THR 14 HB THR 14 9.205 -0.491 -7.913 110 HG1 THR 14 HG1 THR 14 8.057 0.708 -6.611 111 1HG2 THR 14 HG21 THR 14 11.139 -0.416 -5.574 112 2HG2 THR 14 HG22 THR 14 9.976 -1.691 -5.977 113 3HG2 THR 14 HG23 THR 14 11.372 -1.400 -7.032 114 H ASN 15 H ASN 15 9.386 0.341 -10.028 115 HA ASN 15 HA ASN 15 8.251 1.169 -11.735 116 1HB ASN 15 HB2 ASN 15 6.653 1.688 -9.854 117 2HB ASN 15 HB3 ASN 15 7.271 3.340 -9.854 118 1HD2 ASN 15 HD22 ASN 15 5.827 4.677 -10.905 119 2HD2 ASN 15 HD21 ASN 15 4.839 4.203 -12.284 120 H LEU 16 H LEU 16 10.977 2.059 -11.477 121 HA LEU 16 HA LEU 16 11.125 4.830 -12.431 122 1HB LEU 16 HB2 LEU 16 13.324 2.754 -12.517 123 2HB LEU 16 HB3 LEU 16 13.481 4.493 -12.479 124 HG LEU 16 HG LEU 16 12.561 2.741 -10.163 125 1HD1 LEU 16 HD11 LEU 16 15.140 4.255 -10.642 126 2HD1 LEU 16 HD12 LEU 16 14.707 3.336 -9.179 127 3HD1 LEU 16 HD13 LEU 16 14.926 2.505 -10.730 128 1HD2 LEU 16 HD21 LEU 16 13.243 5.690 -10.016 129 2HD2 LEU 16 HD22 LEU 16 11.567 5.131 -10.255 130 3HD2 LEU 16 HD23 LEU 16 12.424 4.676 -8.811 131 HA PRO 17 HA PRO 17 10.971 4.000 -16.864 132 1HB PRO 17 HB2 PRO 17 13.751 5.095 -17.065 133 2HB PRO 17 HB3 PRO 17 12.302 5.482 -18.035 134 1HG PRO 17 HG2 PRO 17 13.246 7.096 -16.027 135 2HG PRO 17 HG3 PRO 17 11.500 6.963 -16.397 136 1HD PRO 17 HD2 PRO 17 12.987 5.859 -14.088 137 2HD PRO 17 HD3 PRO 17 11.269 6.258 -14.244 138 H GLU 18 H GLU 18 11.687 2.308 -18.260 139 HA GLU 18 HA GLU 18 13.402 0.250 -17.160 140 1HB GLU 18 HB2 GLU 18 12.161 0.616 -19.924 141 2HB GLU 18 HB3 GLU 18 13.001 -0.843 -19.380 142 1HG GLU 18 HG2 GLU 18 11.354 -1.100 -17.528 143 2HG GLU 18 HG3 GLU 18 10.461 0.294 -18.140 144 H GLU 19 H GLU 19 14.343 3.155 -18.170 145 HA GLU 19 HA GLU 19 16.824 2.256 -19.392 146 1HB GLU 19 HB2 GLU 19 15.250 4.734 -20.212 147 2HB GLU 19 HB3 GLU 19 16.728 4.124 -20.964 148 1HG GLU 19 HG2 GLU 19 15.441 2.044 -21.623 149 2HG GLU 19 HG3 GLU 19 13.971 2.826 -21.023 150 H THR 20 H THR 20 15.761 3.326 -16.599 151 HA THR 20 HA THR 20 16.989 5.858 -16.111 152 HB THR 20 HB THR 20 16.610 3.633 -14.070 153 HG1 THR 20 HG1 THR 20 14.646 3.691 -14.955 154 1HG2 THR 20 HG21 THR 20 15.980 5.536 -12.599 155 2HG2 THR 20 HG22 THR 20 17.630 5.750 -13.222 156 3HG2 THR 20 HG23 THR 20 16.274 6.674 -13.926 157 H ASN 21 H ASN 21 19.046 6.365 -15.319 158 HA ASN 21 HA ASN 21 20.989 4.190 -14.920 159 1HB ASN 21 HB2 ASN 21 21.363 4.907 -17.239 160 2HB ASN 21 HB3 ASN 21 21.409 6.594 -16.742 161 1HD2 ASN 21 HD22 ASN 21 23.542 7.178 -17.201 162 2HD2 ASN 21 HD21 ASN 21 24.924 6.366 -16.516 163 H GLU 22 H GLU 22 22.892 5.107 -13.731 164 HA GLU 22 HA GLU 22 22.177 6.246 -11.306 165 1HB GLU 22 HB2 GLU 22 24.234 4.919 -11.988 166 2HB GLU 22 HB3 GLU 22 24.892 6.402 -12.686 167 1HG GLU 22 HG2 GLU 22 24.719 7.466 -10.404 168 2HG GLU 22 HG3 GLU 22 24.179 5.904 -9.772 169 H MET 23 H MET 23 23.253 7.893 -14.245 170 HA MET 23 HA MET 23 23.816 10.439 -13.191 171 1HB MET 23 HB2 MET 23 24.410 9.659 -15.471 172 2HB MET 23 HB3 MET 23 22.699 9.676 -15.921 173 1HG MET 23 HG2 MET 23 22.654 12.150 -15.485 174 2HG MET 23 HG3 MET 23 24.370 12.078 -15.083 175 1HE MET 23 HE1 MET 23 21.623 12.002 -17.829 176 2HE MET 23 HE2 MET 23 22.515 11.601 -19.312 177 3HE MET 23 HE3 MET 23 22.256 10.359 -18.074 178 H MET 24 H MET 24 20.702 9.075 -14.305 179 HA MET 24 HA MET 24 19.264 11.544 -14.307 180 1HB MET 24 HB2 MET 24 18.285 8.647 -14.046 181 2HB MET 24 HB3 MET 24 17.229 10.051 -14.165 182 1HG MET 24 HG2 MET 24 17.373 9.079 -16.301 183 2HG MET 24 HG3 MET 24 18.236 10.620 -16.355 184 1HE MET 24 HE1 MET 24 19.186 9.899 -18.736 185 2HE MET 24 HE2 MET 24 20.066 8.382 -19.028 186 3HE MET 24 HE3 MET 24 18.337 8.339 -18.617 187 H LEU 25 H LEU 25 19.429 8.889 -11.930 188 HA LEU 25 HA LEU 25 17.716 10.308 -10.076 189 1HB LEU 25 HB2 LEU 25 19.575 7.934 -9.673 190 2HB LEU 25 HB3 LEU 25 18.435 8.543 -8.459 191 HG LEU 25 HG LEU 25 17.817 7.205 -11.110 192 1HD1 LEU 25 HD11 LEU 25 17.193 6.552 -8.194 193 2HD1 LEU 25 HD12 LEU 25 16.559 5.645 -9.582 194 3HD1 LEU 25 HD13 LEU 25 18.296 5.683 -9.281 195 1HD2 LEU 25 HD21 LEU 25 15.898 8.692 -9.272 196 2HD2 LEU 25 HD22 LEU 25 16.184 8.964 -11.013 197 3HD2 LEU 25 HD23 LEU 25 15.379 7.491 -10.483 198 H SER 26 H SER 26 21.270 10.103 -10.527 199 HA SER 26 HA SER 26 21.964 11.367 -8.049 200 1HB SER 26 HB2 SER 26 23.379 11.550 -10.748 201 2HB SER 26 HB3 SER 26 24.056 12.009 -9.175 202 HG SER 26 HG SER 26 23.295 9.448 -10.107 203 H MET 27 H MET 27 21.228 12.668 -11.312 204 HA MET 27 HA MET 27 21.520 15.399 -10.666 205 1HB MET 27 HB2 MET 27 21.408 14.521 -12.955 206 2HB MET 27 HB3 MET 27 19.721 14.039 -12.724 207 1HG MET 27 HG2 MET 27 19.072 16.371 -12.393 208 2HG MET 27 HG3 MET 27 20.761 16.881 -12.554 209 1HE MET 27 HE1 MET 27 18.935 18.286 -15.759 210 2HE MET 27 HE2 MET 27 18.223 18.066 -14.145 211 3HE MET 27 HE3 MET 27 19.879 18.693 -14.308 212 H LEU 28 H LEU 28 18.618 13.246 -10.403 213 HA LEU 28 HA LEU 28 16.921 15.392 -9.534 214 1HB LEU 28 HB2 LEU 28 16.654 12.379 -9.242 215 2HB LEU 28 HB3 LEU 28 15.405 13.520 -8.754 216 HG LEU 28 HG LEU 28 16.471 13.259 -11.592 217 1HD1 LEU 28 HD11 LEU 28 13.825 12.320 -10.421 218 2HD1 LEU 28 HD12 LEU 28 14.357 12.159 -12.110 219 3HD1 LEU 28 HD13 LEU 28 15.197 11.264 -10.838 220 1HD2 LEU 28 HD21 LEU 28 14.476 14.610 -12.209 221 2HD2 LEU 28 HD22 LEU 28 14.142 14.878 -10.483 222 3HD2 LEU 28 HD23 LEU 28 15.622 15.519 -11.237 223 H PHE 29 H PHE 29 18.568 12.837 -7.602 224 HA PHE 29 HA PHE 29 17.407 13.988 -5.186 225 1HB PHE 29 HB2 PHE 29 19.285 11.658 -5.698 226 2HB PHE 29 HB3 PHE 29 18.878 12.235 -4.083 227 HD1 PHE 29 HD1 PHE 29 16.882 11.750 -2.974 228 HD2 PHE 29 HD2 PHE 29 17.337 10.698 -7.126 229 HE1 PHE 29 HE1 PHE 29 14.844 10.346 -2.838 230 HE2 PHE 29 HE2 PHE 29 15.307 9.299 -6.988 231 HZ PHE 29 HZ PHE 29 14.055 9.117 -4.849 232 H ASN 30 H ASN 30 20.638 14.293 -6.752 233 HA ASN 30 HA ASN 30 21.979 15.117 -4.402 234 1HB ASN 30 HB2 ASN 30 23.140 14.377 -6.403 235 2HB ASN 30 HB3 ASN 30 22.597 15.822 -7.276 236 1HD2 ASN 30 HD22 ASN 30 24.311 17.244 -7.495 237 2HD2 ASN 30 HD21 ASN 30 25.498 17.566 -6.260 238 H GLN 31 H GLN 31 19.518 16.776 -6.099 239 HA GLN 31 HA GLN 31 20.166 19.493 -5.652 240 1HB GLN 31 HB2 GLN 31 17.481 18.048 -5.581 241 2HB GLN 31 HB3 GLN 31 17.682 19.803 -5.601 242 1HG GLN 31 HG2 GLN 31 18.847 19.662 -7.790 243 2HG GLN 31 HG3 GLN 31 18.612 17.911 -7.799 244 1HE2 GLN 31 HE22 GLN 31 16.294 17.123 -7.651 245 2HE2 GLN 31 HE21 GLN 31 15.052 18.081 -8.448 246 H PHE 32 H PHE 32 19.111 16.909 -3.412 247 HA PHE 32 HA PHE 32 18.554 18.822 -1.262 248 1HB PHE 32 HB2 PHE 32 18.758 15.800 -1.098 249 2HB PHE 32 HB3 PHE 32 17.999 16.880 0.062 250 HD1 PHE 32 HD1 PHE 32 16.049 18.467 -1.062 251 HD2 PHE 32 HD2 PHE 32 17.374 14.669 -2.609 252 HE1 PHE 32 HE1 PHE 32 13.995 18.297 -2.448 253 HE2 PHE 32 HE2 PHE 32 15.336 14.505 -3.980 254 HZ PHE 32 HZ PHE 32 13.668 16.331 -3.954 255 HA PRO 33 HA PRO 33 22.893 18.815 -0.233 256 1HB PRO 33 HB2 PRO 33 22.907 20.229 2.108 257 2HB PRO 33 HB3 PRO 33 22.414 20.938 0.549 258 1HG PRO 33 HG2 PRO 33 20.609 19.776 2.694 259 2HG PRO 33 HG3 PRO 33 20.490 21.380 1.902 260 1HD PRO 33 HD2 PRO 33 19.044 19.231 1.042 261 2HD PRO 33 HD3 PRO 33 19.699 20.440 -0.102 262 H GLY 34 H GLY 34 21.486 16.333 0.399 263 1HA GLY 34 HA2 GLY 34 23.173 15.314 2.616 264 2HA GLY 34 HA3 GLY 34 21.417 15.061 2.670 265 H PHE 35 H PHE 35 21.995 14.906 -0.610 266 HA PHE 35 HA PHE 35 21.794 12.092 -0.833 267 1HB PHE 35 HB2 PHE 35 21.114 13.585 -2.595 268 2HB PHE 35 HB3 PHE 35 22.690 14.375 -2.599 269 HD1 PHE 35 HD1 PHE 35 20.796 11.445 -3.805 270 HD2 PHE 35 HD2 PHE 35 24.651 13.365 -3.687 271 HE1 PHE 35 HE1 PHE 35 21.486 10.175 -5.818 272 HE2 PHE 35 HE2 PHE 35 25.383 11.979 -5.621 273 HZ PHE 35 HZ PHE 35 23.779 10.455 -6.722 274 H LYS 36 H LYS 36 23.347 10.614 -1.394 275 HA LYS 36 HA LYS 36 26.198 11.375 -1.008 276 1HB LYS 36 HB2 LYS 36 24.833 10.457 1.086 277 2HB LYS 36 HB3 LYS 36 25.154 8.886 0.335 278 1HG LYS 36 HG2 LYS 36 27.601 9.413 0.401 279 2HG LYS 36 HG3 LYS 36 27.227 11.031 1.011 280 1HD LYS 36 HD2 LYS 36 27.978 9.659 2.859 281 2HD LYS 36 HD3 LYS 36 26.295 10.119 3.069 282 1HE LYS 36 HE2 LYS 36 26.509 7.818 3.735 283 2HE LYS 36 HE3 LYS 36 25.585 7.872 2.239 284 1HZ LYS 36 HZ1 LYS 36 28.401 7.035 2.586 285 2HZ LYS 36 HZ2 LYS 36 27.138 6.158 1.992 286 3HZ LYS 36 HZ3 LYS 36 27.782 7.361 1.104 287 H GLU 37 H GLU 37 23.887 8.795 -2.177 288 HA GLU 37 HA GLU 37 25.547 8.462 -4.497 289 1HB GLU 37 HB2 GLU 37 26.611 7.017 -2.464 290 2HB GLU 37 HB3 GLU 37 25.307 5.910 -2.860 291 1HG GLU 37 HG2 GLU 37 26.174 5.822 -5.228 292 2HG GLU 37 HG3 GLU 37 27.456 6.937 -4.771 293 H VAL 38 H VAL 38 24.617 6.528 -5.837 294 HA VAL 38 HA VAL 38 22.060 5.475 -5.092 295 HB VAL 38 HB VAL 38 21.105 7.396 -6.024 296 1HG1 VAL 38 HG11 VAL 38 22.993 7.266 -8.397 297 2HG1 VAL 38 HG12 VAL 38 21.668 8.423 -8.171 298 3HG1 VAL 38 HG13 VAL 38 23.047 8.440 -7.074 299 1HG2 VAL 38 HG21 VAL 38 19.892 6.697 -7.915 300 2HG2 VAL 38 HG22 VAL 38 21.155 5.582 -8.473 301 3HG2 VAL 38 HG23 VAL 38 20.197 5.237 -7.016 302 H ARG 39 H ARG 39 21.603 3.610 -6.303 303 HA ARG 39 HA ARG 39 23.724 2.550 -8.097 304 1HB ARG 39 HB2 ARG 39 22.653 1.257 -5.539 305 2HB ARG 39 HB3 ARG 39 23.632 0.429 -6.756 306 1HG ARG 39 HG2 ARG 39 25.500 1.997 -6.359 307 2HG ARG 39 HG3 ARG 39 24.552 2.859 -5.139 308 1HD ARG 39 HD2 ARG 39 25.300 -0.081 -4.952 309 2HD ARG 39 HD3 ARG 39 26.224 1.223 -4.216 310 HE ARG 39 HE ARG 39 23.647 0.135 -3.349 311 1HH1 ARG 39 HH21 ARG 39 25.943 2.906 -2.933 312 2HH1 ARG 39 HH22 ARG 39 25.350 3.176 -1.295 313 1HH2 ARG 39 HH11 ARG 39 22.949 0.735 -1.173 314 2HH2 ARG 39 HH12 ARG 39 23.765 2.082 -0.397 315 H LEU 40 H LEU 40 22.538 2.164 -9.906 316 HA LEU 40 HA LEU 40 19.704 1.377 -9.834 317 1HB LEU 40 HB2 LEU 40 21.797 1.837 -11.998 318 2HB LEU 40 HB3 LEU 40 20.369 0.903 -12.382 319 HG LEU 40 HG LEU 40 20.271 3.318 -12.995 320 1HD1 LEU 40 HD11 LEU 40 18.256 2.085 -13.012 321 2HD1 LEU 40 HD12 LEU 40 18.125 2.084 -11.252 322 3HD1 LEU 40 HD13 LEU 40 17.889 3.587 -12.148 323 1HD2 LEU 40 HD21 LEU 40 19.790 3.874 -10.054 324 2HD2 LEU 40 HD22 LEU 40 21.290 4.255 -10.928 325 3HD2 LEU 40 HD23 LEU 40 19.772 5.030 -11.405 326 H VAL 41 H VAL 41 19.168 -0.662 -11.030 327 HA VAL 41 HA VAL 41 21.102 -2.868 -10.465 328 HB VAL 41 HB VAL 41 18.072 -2.988 -10.705 329 1HG1 VAL 41 HG11 VAL 41 19.144 -5.055 -11.514 330 2HG1 VAL 41 HG12 VAL 41 20.127 -5.146 -10.033 331 3HG1 VAL 41 HG13 VAL 41 18.363 -5.337 -9.958 332 1HG2 VAL 41 HG21 VAL 41 18.685 -1.961 -8.573 333 2HG2 VAL 41 HG22 VAL 41 18.177 -3.625 -8.284 334 3HG2 VAL 41 HG23 VAL 41 19.905 -3.220 -8.277 335 HA PRO 42 HA PRO 42 21.068 -1.842 -14.861 336 1HB PRO 42 HB2 PRO 42 23.547 -2.799 -15.643 337 2HB PRO 42 HB3 PRO 42 23.314 -1.338 -14.646 338 1HG PRO 42 HG2 PRO 42 23.852 -4.168 -13.678 339 2HG PRO 42 HG3 PRO 42 24.744 -2.668 -13.249 340 1HD PRO 42 HD2 PRO 42 22.777 -3.619 -11.651 341 2HD PRO 42 HD3 PRO 42 22.930 -1.857 -11.951 342 H ASN 43 H ASN 43 19.858 -4.250 -13.884 343 HA ASN 43 HA ASN 43 19.422 -5.526 -16.439 344 1HB ASN 43 HB2 ASN 43 19.366 -7.793 -15.637 345 2HB ASN 43 HB3 ASN 43 20.935 -7.113 -15.236 346 1HD2 ASN 43 HD22 ASN 43 21.490 -6.852 -12.987 347 2HD2 ASN 43 HD21 ASN 43 20.472 -7.463 -11.709 348 H ARG 44 H ARG 44 18.163 -4.008 -13.678 349 HA ARG 44 HA ARG 44 15.430 -4.385 -14.566 350 1HB ARG 44 HB2 ARG 44 16.471 -5.043 -11.769 351 2HB ARG 44 HB3 ARG 44 14.846 -4.430 -12.021 352 1HG ARG 44 HG2 ARG 44 15.885 -6.978 -13.282 353 2HG ARG 44 HG3 ARG 44 14.957 -6.887 -11.784 354 1HD ARG 44 HD2 ARG 44 13.991 -5.965 -14.515 355 2HD ARG 44 HD3 ARG 44 13.514 -7.466 -13.718 356 HE ARG 44 HE ARG 44 12.719 -4.694 -13.103 357 1HH1 ARG 44 HH21 ARG 44 12.550 -8.062 -11.959 358 2HH1 ARG 44 HH22 ARG 44 11.233 -7.769 -10.886 359 1HH2 ARG 44 HH11 ARG 44 10.966 -4.314 -11.790 360 2HH2 ARG 44 HH12 ARG 44 10.303 -5.564 -10.771 361 H HIS 45 H HIS 45 16.708 -2.350 -15.399 362 HA HIS 45 HA HIS 45 17.491 -0.267 -13.735 363 1HB HIS 45 HB2 HIS 45 16.177 -0.207 -16.490 364 2HB HIS 45 HB3 HIS 45 16.908 1.196 -15.727 365 HD1 HIS 45 HD1 HIS 45 19.437 1.528 -16.068 366 HD2 HIS 45 HD2 HIS 45 17.997 -2.265 -17.181 367 HE1 HIS 45 HE1 HIS 45 21.381 0.325 -17.214 368 H ASP 46 H ASP 46 14.296 -1.524 -13.896 369 HA ASP 46 HA ASP 46 12.850 0.987 -13.590 370 1HB ASP 46 HB2 ASP 46 10.888 -0.384 -13.438 371 2HB ASP 46 HB3 ASP 46 11.848 -0.913 -14.819 372 H ILE 47 H ILE 47 14.813 -0.961 -11.562 373 HA ILE 47 HA ILE 47 13.601 0.373 -9.216 374 HB ILE 47 HB ILE 47 13.950 -1.497 -7.825 375 1HG1 ILE 47 HG12 ILE 47 15.811 -2.414 -9.951 376 2HG1 ILE 47 HG13 ILE 47 15.977 -2.416 -8.210 377 1HG2 ILE 47 HG21 ILE 47 12.452 -3.158 -8.679 378 2HG2 ILE 47 HG22 ILE 47 11.928 -1.597 -9.315 379 3HG2 ILE 47 HG23 ILE 47 12.807 -2.720 -10.362 380 1HD1 ILE 47 HD11 ILE 47 15.957 -4.659 -9.163 381 2HD1 ILE 47 HD12 ILE 47 14.530 -4.424 -8.111 382 3HD1 ILE 47 HD13 ILE 47 14.379 -4.358 -9.896 383 H ALA 48 H ALA 48 15.218 0.667 -7.417 384 HA ALA 48 HA ALA 48 18.059 0.664 -8.043 385 1HB ALA 48 HB1 ALA 48 17.236 2.709 -9.324 386 2HB ALA 48 HB2 ALA 48 16.640 3.365 -7.792 387 3HB ALA 48 HB3 ALA 48 18.375 3.097 -8.030 388 H PHE 49 H PHE 49 19.263 1.901 -6.279 389 HA PHE 49 HA PHE 49 17.747 2.162 -3.751 390 1HB PHE 49 HB2 PHE 49 20.475 0.870 -4.169 391 2HB PHE 49 HB3 PHE 49 19.935 1.483 -2.616 392 HD1 PHE 49 HD1 PHE 49 18.319 0.325 -1.253 393 HD2 PHE 49 HD2 PHE 49 19.331 -1.139 -5.186 394 HE1 PHE 49 HE1 PHE 49 17.241 -1.851 -0.725 395 HE2 PHE 49 HE2 PHE 49 18.232 -3.304 -4.662 396 HZ PHE 49 HZ PHE 49 17.199 -3.668 -2.425 397 H VAL 50 H VAL 50 18.397 4.020 -2.569 398 HA VAL 50 HA VAL 50 20.426 5.813 -3.811 399 HB VAL 50 HB VAL 50 17.620 6.568 -2.897 400 1HG1 VAL 50 HG11 VAL 50 18.183 8.834 -3.730 401 2HG1 VAL 50 HG12 VAL 50 19.206 8.367 -2.370 402 3HG1 VAL 50 HG13 VAL 50 19.857 8.312 -4.023 403 1HG2 VAL 50 HG21 VAL 50 17.623 5.487 -5.126 404 2HG2 VAL 50 HG22 VAL 50 17.179 7.197 -5.198 405 3HG2 VAL 50 HG23 VAL 50 18.804 6.687 -5.684 406 H GLU 51 H GLU 51 21.528 7.141 -2.203 407 HA GLU 51 HA GLU 51 21.168 6.223 0.601 408 1HB GLU 51 HB2 GLU 51 22.697 4.722 -0.549 409 2HB GLU 51 HB3 GLU 51 23.669 6.080 -1.136 410 1HG GLU 51 HG2 GLU 51 24.346 6.678 1.082 411 2HG GLU 51 HG3 GLU 51 23.229 5.521 1.821 412 H PHE 52 H PHE 52 21.791 7.665 2.113 413 HA PHE 52 HA PHE 52 22.487 10.429 1.265 414 1HB PHE 52 HB2 PHE 52 20.093 9.280 2.659 415 2HB PHE 52 HB3 PHE 52 20.700 10.784 3.289 416 HD1 PHE 52 HD1 PHE 52 19.758 9.278 -0.058 417 HD2 PHE 52 HD2 PHE 52 19.906 12.779 2.452 418 HE1 PHE 52 HE1 PHE 52 18.692 10.614 -1.847 419 HE2 PHE 52 HE2 PHE 52 18.785 14.098 0.679 420 HZ PHE 52 HZ PHE 52 18.235 13.026 -1.495 421 H THR 53 H THR 53 23.016 11.775 3.081 422 HA THR 53 HA THR 53 24.956 10.742 4.931 423 HB THR 53 HB THR 53 23.474 13.397 4.660 424 HG1 THR 53 HG1 THR 53 24.768 12.956 2.910 425 1HG2 THR 53 HG21 THR 53 25.353 14.365 5.992 426 2HG2 THR 53 HG22 THR 53 24.291 13.297 6.919 427 3HG2 THR 53 HG23 THR 53 25.881 12.707 6.387 428 H THR 54 H THR 54 21.556 11.977 5.361 429 HA THR 54 HA THR 54 21.466 10.624 7.990 430 HB THR 54 HB THR 54 20.198 12.975 8.494 431 HG1 THR 54 HG1 THR 54 21.502 14.642 7.708 432 1HG2 THR 54 HG21 THR 54 22.241 13.701 9.657 433 2HG2 THR 54 HG22 THR 54 21.920 11.976 9.897 434 3HG2 THR 54 HG23 THR 54 23.185 12.487 8.761 435 H GLU 55 H GLU 55 19.557 10.118 8.737 436 HA GLU 55 HA GLU 55 17.664 9.121 6.915 437 1HB GLU 55 HB2 GLU 55 17.109 9.626 9.867 438 2HB GLU 55 HB3 GLU 55 16.380 8.431 8.805 439 1HG GLU 55 HG2 GLU 55 17.806 7.059 9.894 440 2HG GLU 55 HG3 GLU 55 18.887 7.538 8.596 441 H LEU 56 H LEU 56 17.684 12.168 8.733 442 HA LEU 56 HA LEU 56 14.937 12.891 8.205 443 1HB LEU 56 HB2 LEU 56 17.417 14.383 9.114 444 2HB LEU 56 HB3 LEU 56 15.993 15.272 8.586 445 HG LEU 56 HG LEU 56 14.587 14.171 10.263 446 1HD1 LEU 56 HD11 LEU 56 15.715 12.029 10.611 447 2HD1 LEU 56 HD12 LEU 56 17.164 12.854 11.235 448 3HD1 LEU 56 HD13 LEU 56 15.636 12.903 12.138 449 1HD2 LEU 56 HD21 LEU 56 17.105 15.447 11.419 450 2HD2 LEU 56 HD22 LEU 56 15.700 16.315 10.762 451 3HD2 LEU 56 HD23 LEU 56 15.522 15.334 12.223 452 H GLN 57 H GLN 57 18.029 13.353 6.449 453 HA GLN 57 HA GLN 57 16.797 15.220 4.571 454 1HB GLN 57 HB2 GLN 57 19.514 13.838 4.510 455 2HB GLN 57 HB3 GLN 57 18.947 15.093 3.388 456 1HG GLN 57 HG2 GLN 57 18.514 16.536 5.506 457 2HG GLN 57 HG3 GLN 57 19.503 15.349 6.364 458 1HE2 GLN 57 HE22 GLN 57 21.790 15.096 5.658 459 2HE2 GLN 57 HE21 GLN 57 22.572 16.408 4.773 460 H SER 58 H SER 58 17.673 11.681 4.546 461 HA SER 58 HA SER 58 16.749 11.283 1.862 462 1HB SER 58 HB2 SER 58 16.415 8.932 2.636 463 2HB SER 58 HB3 SER 58 18.042 9.559 2.866 464 HG SER 58 HG SER 58 16.790 8.390 4.675 465 H ASN 59 H ASN 59 15.041 11.227 5.058 466 HA ASN 59 HA ASN 59 12.503 10.560 4.042 467 1HB ASN 59 HB2 ASN 59 12.853 10.585 6.419 468 2HB ASN 59 HB3 ASN 59 13.295 12.287 6.404 469 1HD2 ASN 59 HD22 ASN 59 11.680 13.619 7.144 470 2HD2 ASN 59 HD21 ASN 59 9.973 13.309 6.967 471 H ALA 60 H ALA 60 13.943 13.832 4.375 472 HA ALA 60 HA ALA 60 11.714 15.202 3.277 473 1HB ALA 60 HB1 ALA 60 13.563 16.340 4.444 474 2HB ALA 60 HB2 ALA 60 14.663 15.953 3.097 475 3HB ALA 60 HB3 ALA 60 13.281 17.037 2.837 476 H ALA 61 H ALA 61 14.534 13.744 1.634 477 HA ALA 61 HA ALA 61 13.816 14.557 -1.002 478 1HB ALA 61 HB1 ALA 61 15.378 12.082 -0.136 479 2HB ALA 61 HB2 ALA 61 15.365 12.842 -1.739 480 3HB ALA 61 HB3 ALA 61 16.056 13.713 -0.352 481 H LYS 62 H LYS 62 13.012 11.600 0.859 482 HA LYS 62 HA LYS 62 11.536 10.232 -1.132 483 1HB LYS 62 HB2 LYS 62 12.306 9.147 0.860 484 2HB LYS 62 HB3 LYS 62 11.456 10.246 1.912 485 1HG LYS 62 HG2 LYS 62 10.051 8.252 0.095 486 2HG LYS 62 HG3 LYS 62 10.548 7.935 1.760 487 1HD LYS 62 HD2 LYS 62 9.160 10.068 2.372 488 2HD LYS 62 HD3 LYS 62 8.415 9.837 0.778 489 1HE LYS 62 HE2 LYS 62 7.950 7.410 1.539 490 2HE LYS 62 HE3 LYS 62 8.406 7.954 3.159 491 1HZ LYS 62 HZ1 LYS 62 6.672 9.757 2.824 492 2HZ LYS 62 HZ2 LYS 62 6.175 8.960 1.493 493 3HZ LYS 62 HZ3 LYS 62 6.060 8.227 2.964 494 H GLU 63 H GLU 63 10.391 12.553 1.407 495 HA GLU 63 HA GLU 63 7.694 12.555 0.557 496 1HB GLU 63 HB2 GLU 63 9.379 14.697 1.918 497 2HB GLU 63 HB3 GLU 63 7.639 14.837 1.699 498 1HG GLU 63 HG2 GLU 63 8.977 12.571 3.239 499 2HG GLU 63 HG3 GLU 63 8.374 14.049 3.970 500 H ALA 64 H ALA 64 10.459 14.483 -0.559 501 HA ALA 64 HA ALA 64 8.963 16.290 -2.177 502 1HB ALA 64 HB1 ALA 64 11.178 16.895 -3.078 503 2HB ALA 64 HB2 ALA 64 11.227 16.753 -1.307 504 3HB ALA 64 HB3 ALA 64 11.884 15.449 -2.328 505 H LEU 65 H LEU 65 10.593 13.172 -2.980 506 HA LEU 65 HA LEU 65 9.795 13.575 -5.828 507 1HB LEU 65 HB2 LEU 65 12.065 11.998 -4.584 508 2HB LEU 65 HB3 LEU 65 11.634 11.929 -6.289 509 HG LEU 65 HG LEU 65 12.618 14.394 -4.817 510 1HD1 LEU 65 HD11 LEU 65 14.345 12.683 -5.224 511 2HD1 LEU 65 HD12 LEU 65 13.909 12.617 -6.937 512 3HD1 LEU 65 HD13 LEU 65 14.618 14.098 -6.256 513 1HD2 LEU 65 HD21 LEU 65 12.772 15.418 -7.095 514 2HD2 LEU 65 HD22 LEU 65 11.899 14.023 -7.763 515 3HD2 LEU 65 HD23 LEU 65 11.107 15.122 -6.608 516 H GLN 66 H GLN 66 8.712 11.668 -3.202 517 HA GLN 66 HA GLN 66 8.047 9.310 -4.673 518 1HB GLN 66 HB2 GLN 66 6.772 10.741 -2.335 519 2HB GLN 66 HB3 GLN 66 5.836 9.523 -3.204 520 1HG GLN 66 HG2 GLN 66 7.718 7.884 -2.895 521 2HG GLN 66 HG3 GLN 66 8.502 9.041 -1.829 522 1HE2 GLN 66 HE22 GLN 66 7.325 6.291 -1.203 523 2HE2 GLN 66 HE21 GLN 66 6.057 6.569 -0.042 524 H GLY 67 H GLY 67 6.801 8.967 -6.355 525 1HA GLY 67 HA2 GLY 67 5.046 9.133 -7.818 526 2HA GLY 67 HA3 GLY 67 4.450 10.575 -6.992 527 H PHE 68 H PHE 68 7.789 11.036 -7.707 528 HA PHE 68 HA PHE 68 7.152 13.115 -9.592 529 1HB PHE 68 HB2 PHE 68 9.023 13.248 -7.992 530 2HB PHE 68 HB3 PHE 68 9.798 11.855 -8.742 531 HD1 PHE 68 HD1 PHE 68 8.964 15.449 -9.134 532 HD2 PHE 68 HD2 PHE 68 11.009 12.058 -10.852 533 HE1 PHE 68 HE1 PHE 68 10.181 16.961 -10.681 534 HE2 PHE 68 HE2 PHE 68 12.209 13.575 -12.403 535 HZ PHE 68 HZ PHE 68 11.806 16.027 -12.318 536 H LYS 69 H LYS 69 6.827 12.858 -11.752 537 HA LYS 69 HA LYS 69 7.354 10.361 -13.143 538 1HB LYS 69 HB2 LYS 69 6.317 13.064 -13.926 539 2HB LYS 69 HB3 LYS 69 7.250 12.214 -15.156 540 1HG LYS 69 HG2 LYS 69 5.029 11.606 -15.540 541 2HG LYS 69 HG3 LYS 69 5.843 10.198 -14.870 542 1HD LYS 69 HD2 LYS 69 4.837 10.730 -12.623 543 2HD LYS 69 HD3 LYS 69 3.929 12.050 -13.409 544 1HE LYS 69 HE2 LYS 69 3.117 10.283 -15.097 545 2HE LYS 69 HE3 LYS 69 3.814 9.058 -14.036 546 1HZ LYS 69 HZ1 LYS 69 1.457 9.373 -13.586 547 2HZ LYS 69 HZ2 LYS 69 2.280 9.890 -12.276 548 3HZ LYS 69 HZ3 LYS 69 1.641 10.966 -13.325 549 H ILE 70 H ILE 70 9.334 9.633 -13.356 550 HA ILE 70 HA ILE 70 11.686 11.385 -13.709 551 HB ILE 70 HB ILE 70 11.344 8.409 -14.145 552 1HG1 ILE 70 HG12 ILE 70 12.614 9.891 -11.800 553 2HG1 ILE 70 HG13 ILE 70 10.977 9.241 -11.774 554 1HG2 ILE 70 HG21 ILE 70 13.252 9.428 -15.409 555 2HG2 ILE 70 HG22 ILE 70 13.841 10.156 -13.902 556 3HG2 ILE 70 HG23 ILE 70 13.838 8.392 -14.105 557 1HD1 ILE 70 HD11 ILE 70 12.462 7.710 -10.664 558 2HD1 ILE 70 HD12 ILE 70 11.811 6.967 -12.123 559 3HD1 ILE 70 HD13 ILE 70 13.491 7.564 -12.091 560 H THR 71 H THR 71 9.530 9.252 -15.725 561 HA THR 71 HA THR 71 9.703 11.219 -17.891 562 HB THR 71 HB THR 71 9.602 9.337 -19.541 563 HG1 THR 71 HG1 THR 71 10.508 7.349 -18.824 564 1HG2 THR 71 HG21 THR 71 11.994 8.889 -19.618 565 2HG2 THR 71 HG22 THR 71 11.745 10.559 -19.088 566 3HG2 THR 71 HG23 THR 71 12.174 9.307 -17.901 567 HA PRO 72 HA PRO 72 5.513 11.534 -17.746 568 1HB PRO 72 HB2 PRO 72 5.131 10.171 -20.419 569 2HB PRO 72 HB3 PRO 72 4.336 11.653 -19.792 570 1HG PRO 72 HG2 PRO 72 6.473 11.893 -21.417 571 2HG PRO 72 HG3 PRO 72 6.387 12.895 -19.929 572 1HD PRO 72 HD2 PRO 72 7.945 10.362 -20.415 573 2HD PRO 72 HD3 PRO 72 8.450 11.853 -19.563 574 H THR 73 H THR 73 6.379 8.159 -18.205 575 HA THR 73 HA THR 73 3.759 7.334 -17.069 576 HB THR 73 HB THR 73 4.192 5.193 -18.422 577 HG1 THR 73 HG1 THR 73 6.296 5.396 -19.011 578 1HG2 THR 73 HG21 THR 73 3.826 7.756 -20.039 579 2HG2 THR 73 HG22 THR 73 3.327 6.115 -20.503 580 3HG2 THR 73 HG23 THR 73 2.549 6.918 -19.130 581 H HIS 74 H HIS 74 6.645 7.926 -15.908 582 HA HIS 74 HA HIS 74 6.767 5.439 -14.272 583 1HB HIS 74 HB2 HIS 74 9.125 6.890 -15.515 584 2HB HIS 74 HB3 HIS 74 9.192 5.523 -14.397 585 HD1 HIS 74 HD1 HIS 74 8.921 6.269 -18.026 586 HD2 HIS 74 HD2 HIS 74 8.096 3.111 -15.373 587 HE1 HIS 74 HE1 HIS 74 8.637 4.171 -19.471 588 H ALA 75 H ALA 75 5.436 6.763 -12.937 589 HA ALA 75 HA ALA 75 6.539 8.998 -11.448 590 1HB ALA 75 HB1 ALA 75 4.296 7.034 -10.776 591 2HB ALA 75 HB2 ALA 75 4.660 8.543 -9.919 592 3HB ALA 75 HB3 ALA 75 4.104 8.598 -11.595 593 H MET 76 H MET 76 8.417 8.651 -10.426 594 HA MET 76 HA MET 76 9.638 6.391 -9.477 595 1HB MET 76 HB2 MET 76 10.533 8.719 -9.676 596 2HB MET 76 HB3 MET 76 9.609 9.193 -8.258 597 1HG MET 76 HG2 MET 76 10.869 7.449 -6.953 598 2HG MET 76 HG3 MET 76 11.882 7.183 -8.374 599 1HE MET 76 HE1 MET 76 12.146 10.335 -9.444 600 2HE MET 76 HE2 MET 76 13.659 10.778 -8.625 601 3HE MET 76 HE3 MET 76 13.510 9.191 -9.403 602 H LYS 77 H LYS 77 8.911 4.832 -8.049 603 HA LYS 77 HA LYS 77 7.291 5.672 -5.687 604 1HB LYS 77 HB2 LYS 77 6.467 3.674 -6.833 605 2HB LYS 77 HB3 LYS 77 8.076 2.984 -6.870 606 1HG LYS 77 HG2 LYS 77 6.801 1.842 -5.189 607 2HG LYS 77 HG3 LYS 77 8.092 2.741 -4.417 608 1HD LYS 77 HD2 LYS 77 6.117 2.893 -3.082 609 2HD LYS 77 HD3 LYS 77 6.403 4.500 -3.765 610 1HE LYS 77 HE2 LYS 77 4.709 4.048 -5.536 611 2HE LYS 77 HE3 LYS 77 4.481 2.414 -4.903 612 1HZ LYS 77 HZ1 LYS 77 3.832 4.910 -3.434 613 2HZ LYS 77 HZ2 LYS 77 2.756 3.906 -4.127 614 3HZ LYS 77 HZ3 LYS 77 3.627 3.394 -2.851 615 H ILE 78 H ILE 78 8.321 5.655 -3.669 616 HA ILE 78 HA ILE 78 11.183 4.887 -3.487 617 HB ILE 78 HB ILE 78 9.943 7.389 -2.279 618 1HG1 ILE 78 HG12 ILE 78 11.881 7.350 -4.618 619 2HG1 ILE 78 HG13 ILE 78 10.158 7.725 -4.721 620 1HG2 ILE 78 HG21 ILE 78 11.749 6.454 -0.916 621 2HG2 ILE 78 HG22 ILE 78 12.837 6.486 -2.313 622 3HG2 ILE 78 HG23 ILE 78 12.232 7.985 -1.592 623 1HD1 ILE 78 HD11 ILE 78 11.300 9.784 -4.713 624 2HD1 ILE 78 HD12 ILE 78 10.544 9.632 -3.121 625 3HD1 ILE 78 HD13 ILE 78 12.292 9.360 -3.319 626 H THR 79 H THR 79 11.543 3.813 -1.536 627 HA THR 79 HA THR 79 9.688 4.158 0.723 628 HB THR 79 HB THR 79 9.901 1.644 1.094 629 HG1 THR 79 HG1 THR 79 10.228 0.446 -0.853 630 1HG2 THR 79 HG21 THR 79 7.799 2.728 0.203 631 2HG2 THR 79 HG22 THR 79 8.361 2.375 -1.446 632 3HG2 THR 79 HG23 THR 79 8.014 1.054 -0.323 633 H PHE 80 H PHE 80 10.861 3.478 2.770 634 HA PHE 80 HA PHE 80 13.713 4.100 2.636 635 1HB PHE 80 HB2 PHE 80 11.958 3.126 4.917 636 2HB PHE 80 HB3 PHE 80 13.650 3.585 5.067 637 HD1 PHE 80 HD1 PHE 80 14.325 5.981 4.263 638 HD2 PHE 80 HD2 PHE 80 10.267 4.804 5.120 639 HE1 PHE 80 HE1 PHE 80 13.671 8.367 4.436 640 HE2 PHE 80 HE2 PHE 80 9.620 7.186 5.325 641 HZ PHE 80 HZ PHE 80 11.301 8.965 4.965 642 H ALA 81 H ALA 81 15.335 2.679 2.418 643 HA ALA 81 HA ALA 81 14.811 -0.206 2.068 644 1HB ALA 81 HB1 ALA 81 17.418 1.378 1.997 645 2HB ALA 81 HB2 ALA 81 17.217 -0.322 1.548 646 3HB ALA 81 HB3 ALA 81 16.448 0.928 0.574 647 H LYS 82 H LYS 82 16.730 -1.509 3.319 648 HA LYS 82 HA LYS 82 16.474 -0.801 6.212 649 1HB LYS 82 HB2 LYS 82 15.941 -3.494 4.882 650 2HB LYS 82 HB3 LYS 82 15.924 -3.184 6.625 651 1HG LYS 82 HG2 LYS 82 14.111 -1.518 6.316 652 2HG LYS 82 HG3 LYS 82 14.038 -1.875 4.599 653 1HD LYS 82 HD2 LYS 82 13.402 -3.805 6.855 654 2HD LYS 82 HD3 LYS 82 12.244 -3.038 5.775 655 1HE LYS 82 HE2 LYS 82 14.360 -5.088 4.981 656 2HE LYS 82 HE3 LYS 82 12.640 -5.398 5.190 657 1HZ LYS 82 HZ1 LYS 82 13.175 -5.129 2.874 658 2HZ LYS 82 HZ2 LYS 82 12.198 -3.899 3.306 659 3HZ LYS 82 HZ3 LYS 82 13.803 -3.646 3.099 660 H LYS 83 H LYS 83 17.950 -2.316 7.547 661 HA LYS 83 HA LYS 83 20.541 -2.790 6.201 662 1HB LYS 83 HB2 LYS 83 20.217 -1.153 8.755 663 2HB LYS 83 HB3 LYS 83 21.730 -1.609 7.968 664 1HG LYS 83 HG2 LYS 83 20.973 -0.281 5.935 665 2HG LYS 83 HG3 LYS 83 19.621 0.316 6.898 666 1HD LYS 83 HD2 LYS 83 22.587 0.756 7.388 667 2HD LYS 83 HD3 LYS 83 21.423 1.960 6.861 668 1HE LYS 83 HE2 LYS 83 21.507 0.604 9.597 669 2HE LYS 83 HE3 LYS 83 22.055 2.236 9.221 670 1HZ LYS 83 HZ1 LYS 83 19.253 1.289 9.132 671 2HZ LYS 83 HZ2 LYS 83 19.899 2.362 10.171 672 3HZ LYS 83 HZ3 LYS 83 19.723 2.765 8.595 Start of MODEL 5 1 1H ALA 1 H1 ALA 1 11.899 -7.166 0.265 2 2H ALA 1 H2 ALA 1 11.306 -7.586 1.729 3 3H ALA 1 H3 ALA 1 11.056 -8.564 0.431 4 HA ALA 1 HA ALA 1 9.710 -6.907 -0.637 5 1HB ALA 1 HB1 ALA 1 8.533 -8.545 0.783 6 2HB ALA 1 HB2 ALA 1 8.777 -7.510 2.209 7 3HB ALA 1 HB3 ALA 1 7.755 -6.955 0.868 8 H GLN 2 H GLN 2 9.535 -4.764 -1.005 9 HA GLN 2 HA GLN 2 10.765 -2.819 0.721 10 1HB GLN 2 HB2 GLN 2 10.088 -1.226 -0.877 11 2HB GLN 2 HB3 GLN 2 10.550 -2.662 -1.782 12 1HG GLN 2 HG2 GLN 2 8.068 -3.242 -1.931 13 2HG GLN 2 HG3 GLN 2 7.720 -1.662 -1.226 14 1HE2 GLN 2 HE22 GLN 2 9.461 0.105 -2.570 15 2HE2 GLN 2 HE21 GLN 2 9.129 0.022 -4.287 16 H THR 3 H THR 3 9.666 -1.107 1.974 17 HA THR 3 HA THR 3 6.788 -1.152 2.259 18 HB THR 3 HB THR 3 8.250 -1.552 4.869 19 HG1 THR 3 HG1 THR 3 7.625 -3.643 3.106 20 1HG2 THR 3 HG21 THR 3 6.147 -2.658 5.542 21 2HG2 THR 3 HG22 THR 3 5.844 -1.032 4.924 22 3HG2 THR 3 HG23 THR 3 5.500 -2.442 3.900 23 H GLU 4 H GLU 4 6.093 0.713 3.616 24 HA GLU 4 HA GLU 4 8.083 2.892 3.754 25 1HB GLU 4 HB2 GLU 4 5.746 3.361 3.040 26 2HB GLU 4 HB3 GLU 4 5.145 2.777 4.600 27 1HG GLU 4 HG2 GLU 4 6.318 4.581 5.774 28 2HG GLU 4 HG3 GLU 4 7.142 5.063 4.290 29 H GLN 5 H GLN 5 8.830 3.630 5.890 30 HA GLN 5 HA GLN 5 8.415 1.859 8.210 31 1HB GLN 5 HB2 GLN 5 11.060 2.254 6.724 32 2HB GLN 5 HB3 GLN 5 10.948 1.526 8.306 33 1HG GLN 5 HG2 GLN 5 9.690 0.315 5.812 34 2HG GLN 5 HG3 GLN 5 11.280 -0.065 6.432 35 1HE2 GLN 5 HE22 GLN 5 7.784 -0.254 7.226 36 2HE2 GLN 5 HE21 GLN 5 7.960 -1.562 8.386 37 HA PRO 6 HA PRO 6 9.989 5.636 10.361 38 1HB PRO 6 HB2 PRO 6 12.006 3.693 11.498 39 2HB PRO 6 HB3 PRO 6 11.131 5.018 12.327 40 1HG PRO 6 HG2 PRO 6 10.301 2.456 12.622 41 2HG PRO 6 HG3 PRO 6 9.095 3.755 12.348 42 1HD PRO 6 HD2 PRO 6 10.241 1.800 10.347 43 2HD PRO 6 HD3 PRO 6 8.541 2.316 10.566 44 HA PRO 7 HA PRO 7 12.921 6.731 7.309 45 1HB PRO 7 HB2 PRO 7 14.347 8.301 9.474 46 2HB PRO 7 HB3 PRO 7 13.955 8.799 7.798 47 1HG PRO 7 HG2 PRO 7 12.380 9.594 9.844 48 2HG PRO 7 HG3 PRO 7 11.632 9.000 8.325 49 1HD PRO 7 HD2 PRO 7 12.005 7.527 10.936 50 2HD PRO 7 HD3 PRO 7 10.613 7.535 9.810 51 H ASN 8 H ASN 8 14.885 6.202 6.372 52 HA ASN 8 HA ASN 8 17.128 5.218 8.000 53 1HB ASN 8 HB2 ASN 8 15.895 3.130 7.337 54 2HB ASN 8 HB3 ASN 8 15.930 3.652 5.658 55 1HD2 ASN 8 HD22 ASN 8 17.118 1.726 5.069 56 2HD2 ASN 8 HD21 ASN 8 18.844 1.656 5.375 57 H GLN 9 H GLN 9 19.137 5.518 6.826 58 HA GLN 9 HA GLN 9 19.046 7.764 4.965 59 1HB GLN 9 HB2 GLN 9 21.371 7.943 5.278 60 2HB GLN 9 HB3 GLN 9 20.641 7.666 6.848 61 1HG GLN 9 HG2 GLN 9 21.317 5.254 6.723 62 2HG GLN 9 HG3 GLN 9 22.099 5.574 5.168 63 1HE2 GLN 9 HE22 GLN 9 23.691 7.605 5.261 64 2HE2 GLN 9 HE21 GLN 9 24.741 7.626 6.662 65 H ILE 10 H ILE 10 18.284 4.764 4.208 66 HA ILE 10 HA ILE 10 19.597 4.861 1.589 67 HB ILE 10 HB ILE 10 19.328 2.256 3.138 68 1HG1 ILE 10 HG12 ILE 10 21.840 3.904 2.654 69 2HG1 ILE 10 HG13 ILE 10 21.084 3.559 4.212 70 1HG2 ILE 10 HG21 ILE 10 20.785 2.849 0.519 71 2HG2 ILE 10 HG22 ILE 10 20.554 1.255 1.272 72 3HG2 ILE 10 HG23 ILE 10 19.180 2.104 0.607 73 1HD1 ILE 10 HD11 ILE 10 22.984 2.153 4.028 74 2HD1 ILE 10 HD12 ILE 10 21.548 1.118 3.867 75 3HD1 ILE 10 HD13 ILE 10 22.507 1.566 2.431 76 H LEU 11 H LEU 11 18.178 4.312 0.014 77 HA LEU 11 HA LEU 11 15.308 3.856 0.721 78 1HB LEU 11 HB2 LEU 11 16.729 6.002 -0.817 79 2HB LEU 11 HB3 LEU 11 15.309 5.336 -1.599 80 HG LEU 11 HG LEU 11 13.845 6.043 0.127 81 1HD1 LEU 11 HD11 LEU 11 14.662 7.276 2.149 82 2HD1 LEU 11 HD12 LEU 11 15.075 5.567 2.140 83 3HD1 LEU 11 HD13 LEU 11 16.323 6.748 1.738 84 1HD2 LEU 11 HD21 LEU 11 14.200 8.481 0.078 85 2HD2 LEU 11 HD22 LEU 11 15.902 8.249 -0.365 86 3HD2 LEU 11 HD23 LEU 11 14.619 7.776 -1.493 87 H PHE 12 H PHE 12 14.148 2.746 -0.854 88 HA PHE 12 HA PHE 12 15.666 1.437 -3.051 89 1HB PHE 12 HB2 PHE 12 15.125 -0.269 -1.376 90 2HB PHE 12 HB3 PHE 12 13.449 0.274 -1.317 91 HD1 PHE 12 HD1 PHE 12 16.013 -0.917 -3.815 92 HD2 PHE 12 HD2 PHE 12 11.854 -0.811 -2.703 93 HE1 PHE 12 HE1 PHE 12 15.491 -2.513 -5.635 94 HE2 PHE 12 HE2 PHE 12 11.335 -2.438 -4.503 95 HZ PHE 12 HZ PHE 12 13.155 -3.293 -5.978 96 H LEU 13 H LEU 13 14.658 1.665 -4.992 97 HA LEU 13 HA LEU 13 12.238 3.408 -5.095 98 1HB LEU 13 HB2 LEU 13 15.024 3.750 -6.180 99 2HB LEU 13 HB3 LEU 13 13.724 4.040 -7.306 100 HG LEU 13 HG LEU 13 12.671 5.648 -5.675 101 1HD1 LEU 13 HD11 LEU 13 14.233 6.618 -3.958 102 2HD1 LEU 13 HD12 LEU 13 13.749 4.953 -3.593 103 3HD1 LEU 13 HD13 LEU 13 15.356 5.275 -4.258 104 1HD2 LEU 13 HD21 LEU 13 14.060 6.327 -7.639 105 2HD2 LEU 13 HD22 LEU 13 14.208 7.434 -6.278 106 3HD2 LEU 13 HD23 LEU 13 15.507 6.272 -6.607 107 H THR 14 H THR 14 10.913 3.077 -6.849 108 HA THR 14 HA THR 14 11.333 0.721 -8.582 109 HB THR 14 HB THR 14 8.779 0.315 -7.706 110 HG1 THR 14 HG1 THR 14 10.201 1.483 -5.562 111 1HG2 THR 14 HG21 THR 14 10.268 -1.470 -7.827 112 2HG2 THR 14 HG22 THR 14 11.360 -0.771 -6.599 113 3HG2 THR 14 HG23 THR 14 9.761 -1.410 -6.138 114 H ASN 15 H ASN 15 9.424 0.475 -10.073 115 HA ASN 15 HA ASN 15 8.273 1.182 -11.803 116 1HB ASN 15 HB2 ASN 15 6.643 1.783 -9.992 117 2HB ASN 15 HB3 ASN 15 7.263 3.436 -10.038 118 1HD2 ASN 15 HD22 ASN 15 5.788 4.712 -11.108 119 2HD2 ASN 15 HD21 ASN 15 4.843 4.209 -12.507 120 H LEU 16 H LEU 16 10.976 2.080 -11.587 121 HA LEU 16 HA LEU 16 11.168 4.839 -12.544 122 1HB LEU 16 HB2 LEU 16 13.319 2.720 -12.583 123 2HB LEU 16 HB3 LEU 16 13.528 4.457 -12.556 124 HG LEU 16 HG LEU 16 12.499 2.752 -10.251 125 1HD1 LEU 16 HD11 LEU 16 14.624 3.202 -9.210 126 2HD1 LEU 16 HD12 LEU 16 14.892 2.457 -10.793 127 3HD1 LEU 16 HD13 LEU 16 15.142 4.198 -10.592 128 1HD2 LEU 16 HD21 LEU 16 11.586 5.153 -10.344 129 2HD2 LEU 16 HD22 LEU 16 12.441 4.692 -8.893 130 3HD2 LEU 16 HD23 LEU 16 13.275 5.678 -10.111 131 HA PRO 17 HA PRO 17 11.057 4.069 -16.993 132 1HB PRO 17 HB2 PRO 17 13.842 5.179 -17.098 133 2HB PRO 17 HB3 PRO 17 12.431 5.545 -18.130 134 1HG PRO 17 HG2 PRO 17 13.227 7.194 -16.113 135 2HG PRO 17 HG3 PRO 17 11.495 6.957 -16.487 136 1HD PRO 17 HD2 PRO 17 13.056 5.878 -14.196 137 2HD PRO 17 HD3 PRO 17 11.333 6.274 -14.309 138 H GLU 18 H GLU 18 11.729 2.403 -18.390 139 HA GLU 18 HA GLU 18 13.482 0.333 -17.407 140 1HB GLU 18 HB2 GLU 18 12.962 -0.787 -19.497 141 2HB GLU 18 HB3 GLU 18 11.503 -0.144 -18.743 142 1HG GLU 18 HG2 GLU 18 11.570 1.804 -20.321 143 2HG GLU 18 HG3 GLU 18 12.989 1.094 -21.100 144 H GLU 19 H GLU 19 14.363 3.257 -18.374 145 HA GLU 19 HA GLU 19 16.882 2.415 -19.571 146 1HB GLU 19 HB2 GLU 19 15.373 4.956 -20.299 147 2HB GLU 19 HB3 GLU 19 16.845 4.335 -21.055 148 1HG GLU 19 HG2 GLU 19 15.484 2.319 -21.811 149 2HG GLU 19 HG3 GLU 19 14.042 3.171 -21.228 150 H THR 20 H THR 20 15.830 3.308 -16.731 151 HA THR 20 HA THR 20 16.994 5.833 -16.102 152 HB THR 20 HB THR 20 16.605 3.452 -14.239 153 HG1 THR 20 HG1 THR 20 14.649 3.701 -15.095 154 1HG2 THR 20 HG21 THR 20 16.440 6.477 -13.779 155 2HG2 THR 20 HG22 THR 20 16.061 5.230 -12.579 156 3HG2 THR 20 HG23 THR 20 17.726 5.405 -13.163 157 H ASN 21 H ASN 21 18.993 6.319 -15.115 158 HA ASN 21 HA ASN 21 21.072 4.251 -15.031 159 1HB ASN 21 HB2 ASN 21 21.297 5.332 -17.269 160 2HB ASN 21 HB3 ASN 21 21.352 6.917 -16.493 161 1HD2 ASN 21 HD22 ASN 21 23.494 7.384 -17.315 162 2HD2 ASN 21 HD21 ASN 21 24.896 6.547 -16.704 163 H GLU 22 H GLU 22 22.923 5.110 -13.673 164 HA GLU 22 HA GLU 22 21.983 6.139 -11.222 165 1HB GLU 22 HB2 GLU 22 24.823 6.133 -12.338 166 2HB GLU 22 HB3 GLU 22 24.393 6.360 -10.632 167 1HG GLU 22 HG2 GLU 22 23.291 4.131 -10.639 168 2HG GLU 22 HG3 GLU 22 23.833 3.889 -12.310 169 H MET 23 H MET 23 23.402 7.783 -13.951 170 HA MET 23 HA MET 23 23.834 10.323 -12.733 171 1HB MET 23 HB2 MET 23 23.166 9.676 -15.630 172 2HB MET 23 HB3 MET 23 23.792 11.222 -15.051 173 1HG MET 23 HG2 MET 23 25.257 8.552 -14.922 174 2HG MET 23 HG3 MET 23 25.538 9.855 -16.062 175 1HE MET 23 HE1 MET 23 26.754 8.172 -12.977 176 2HE MET 23 HE2 MET 23 27.304 9.445 -11.868 177 3HE MET 23 HE3 MET 23 25.571 9.135 -12.062 178 H MET 24 H MET 24 20.858 8.909 -14.063 179 HA MET 24 HA MET 24 19.387 11.381 -14.216 180 1HB MET 24 HB2 MET 24 18.401 8.505 -13.944 181 2HB MET 24 HB3 MET 24 17.352 9.901 -14.170 182 1HG MET 24 HG2 MET 24 19.578 9.130 -16.069 183 2HG MET 24 HG3 MET 24 17.887 8.637 -16.247 184 1HE MET 24 HE1 MET 24 17.903 9.552 -18.730 185 2HE MET 24 HE2 MET 24 18.394 11.201 -19.174 186 3HE MET 24 HE3 MET 24 19.598 10.060 -18.537 187 H LEU 25 H LEU 25 19.450 8.731 -11.814 188 HA LEU 25 HA LEU 25 17.679 10.135 -10.024 189 1HB LEU 25 HB2 LEU 25 19.625 7.870 -9.421 190 2HB LEU 25 HB3 LEU 25 18.356 8.456 -8.338 191 HG LEU 25 HG LEU 25 18.049 6.972 -10.957 192 1HD1 LEU 25 HD11 LEU 25 17.198 6.386 -8.095 193 2HD1 LEU 25 HD12 LEU 25 16.898 5.344 -9.506 194 3HD1 LEU 25 HD13 LEU 25 18.556 5.646 -8.956 195 1HD2 LEU 25 HD21 LEU 25 15.543 7.134 -10.470 196 2HD2 LEU 25 HD22 LEU 25 15.937 8.424 -9.298 197 3HD2 LEU 25 HD23 LEU 25 16.294 8.631 -11.030 198 H SER 26 H SER 26 21.247 10.010 -10.348 199 HA SER 26 HA SER 26 21.798 11.269 -7.837 200 1HB SER 26 HB2 SER 26 23.405 11.370 -10.429 201 2HB SER 26 HB3 SER 26 23.993 11.782 -8.806 202 HG SER 26 HG SER 26 23.152 9.266 -9.812 203 H MET 27 H MET 27 21.253 12.558 -11.157 204 HA MET 27 HA MET 27 21.516 15.293 -10.499 205 1HB MET 27 HB2 MET 27 21.451 14.328 -12.786 206 2HB MET 27 HB3 MET 27 19.723 13.988 -12.596 207 1HG MET 27 HG2 MET 27 19.314 16.407 -12.247 208 2HG MET 27 HG3 MET 27 21.032 16.724 -12.501 209 1HE MET 27 HE1 MET 27 22.275 16.447 -14.809 210 2HE MET 27 HE2 MET 27 21.740 14.761 -15.021 211 3HE MET 27 HE3 MET 27 21.494 15.940 -16.323 212 H LEU 28 H LEU 28 18.651 13.094 -10.299 213 HA LEU 28 HA LEU 28 16.870 15.217 -9.546 214 1HB LEU 28 HB2 LEU 28 16.643 12.204 -9.224 215 2HB LEU 28 HB3 LEU 28 15.357 13.330 -8.802 216 HG LEU 28 HG LEU 28 16.537 13.025 -11.589 217 1HD1 LEU 28 HD11 LEU 28 15.219 11.055 -10.851 218 2HD1 LEU 28 HD12 LEU 28 13.841 12.128 -10.503 219 3HD1 LEU 28 HD13 LEU 28 14.432 11.935 -12.167 220 1HD2 LEU 28 HD21 LEU 28 14.564 14.370 -12.312 221 2HD2 LEU 28 HD22 LEU 28 14.194 14.698 -10.602 222 3HD2 LEU 28 HD23 LEU 28 15.701 15.292 -11.342 223 H PHE 29 H PHE 29 18.449 12.711 -7.488 224 HA PHE 29 HA PHE 29 17.224 13.947 -5.149 225 1HB PHE 29 HB2 PHE 29 19.150 11.639 -5.531 226 2HB PHE 29 HB3 PHE 29 18.712 12.264 -3.942 227 HD1 PHE 29 HD1 PHE 29 17.154 10.801 -7.032 228 HD2 PHE 29 HD2 PHE 29 16.797 11.591 -2.811 229 HE1 PHE 29 HE1 PHE 29 15.112 9.426 -6.942 230 HE2 PHE 29 HE2 PHE 29 14.740 10.214 -2.723 231 HZ PHE 29 HZ PHE 29 13.887 9.135 -4.794 232 H ASN 30 H ASN 30 20.436 14.363 -6.671 233 HA ASN 30 HA ASN 30 21.792 15.135 -4.331 234 1HB ASN 30 HB2 ASN 30 22.940 14.534 -6.335 235 2HB ASN 30 HB3 ASN 30 22.287 15.954 -7.187 236 1HD2 ASN 30 HD22 ASN 30 23.816 17.595 -7.364 237 2HD2 ASN 30 HD21 ASN 30 25.068 17.913 -6.197 238 H GLN 31 H GLN 31 19.298 16.901 -5.955 239 HA GLN 31 HA GLN 31 20.044 19.554 -5.346 240 1HB GLN 31 HB2 GLN 31 17.738 20.119 -5.598 241 2HB GLN 31 HB3 GLN 31 18.125 18.883 -6.794 242 1HG GLN 31 HG2 GLN 31 17.096 17.160 -5.263 243 2HG GLN 31 HG3 GLN 31 16.639 18.456 -4.163 244 1HE2 GLN 31 HE21 GLN 31 15.741 16.762 -7.031 245 2HE2 GLN 31 HE22 GLN 31 14.326 17.728 -7.433 246 H PHE 32 H PHE 32 18.972 16.923 -3.228 247 HA PHE 32 HA PHE 32 18.292 18.755 -1.038 248 1HB PHE 32 HB2 PHE 32 18.502 15.731 -1.000 249 2HB PHE 32 HB3 PHE 32 17.697 16.755 0.183 250 HD1 PHE 32 HD1 PHE 32 15.794 18.400 -0.963 251 HD2 PHE 32 HD2 PHE 32 17.150 14.630 -2.551 252 HE1 PHE 32 HE1 PHE 32 13.778 18.265 -2.407 253 HE2 PHE 32 HE2 PHE 32 15.152 14.499 -3.978 254 HZ PHE 32 HZ PHE 32 13.491 16.331 -3.964 255 HA PRO 33 HA PRO 33 22.591 18.781 0.094 256 1HB PRO 33 HB2 PRO 33 22.541 20.176 2.448 257 2HB PRO 33 HB3 PRO 33 22.076 20.884 0.882 258 1HG PRO 33 HG2 PRO 33 20.235 19.703 2.983 259 2HG PRO 33 HG3 PRO 33 20.115 21.300 2.181 260 1HD PRO 33 HD2 PRO 33 18.717 19.125 1.299 261 2HD PRO 33 HD3 PRO 33 19.376 20.346 0.168 262 H GLY 34 H GLY 34 21.352 16.254 0.593 263 1HA GLY 34 HA2 GLY 34 23.068 15.252 2.786 264 2HA GLY 34 HA3 GLY 34 21.335 14.873 2.828 265 H PHE 35 H PHE 35 21.874 14.891 -0.472 266 HA PHE 35 HA PHE 35 21.808 12.101 -0.774 267 1HB PHE 35 HB2 PHE 35 21.026 13.681 -2.440 268 2HB PHE 35 HB3 PHE 35 22.602 14.467 -2.495 269 HD1 PHE 35 HD1 PHE 35 24.461 13.550 -3.784 270 HD2 PHE 35 HD2 PHE 35 20.671 11.504 -3.589 271 HE1 PHE 35 HE1 PHE 35 25.130 12.106 -5.692 272 HE2 PHE 35 HE2 PHE 35 21.321 10.116 -5.512 273 HZ PHE 35 HZ PHE 35 23.570 10.376 -6.539 274 H LYS 36 H LYS 36 23.387 10.673 -1.416 275 HA LYS 36 HA LYS 36 26.217 11.614 -1.499 276 1HB LYS 36 HB2 LYS 36 25.324 9.024 -0.191 277 2HB LYS 36 HB3 LYS 36 26.991 9.537 -0.484 278 1HG LYS 36 HG2 LYS 36 26.513 11.573 0.992 279 2HG LYS 36 HG3 LYS 36 24.997 10.787 1.435 280 1HD LYS 36 HD2 LYS 36 27.835 9.833 1.955 281 2HD LYS 36 HD3 LYS 36 26.612 10.287 3.153 282 1HE LYS 36 HE2 LYS 36 25.249 8.310 2.531 283 2HE LYS 36 HE3 LYS 36 26.396 7.904 1.255 284 1HZ LYS 36 HZ1 LYS 36 26.804 6.526 3.047 285 2HZ LYS 36 HZ2 LYS 36 28.077 7.551 2.988 286 3HZ LYS 36 HZ3 LYS 36 26.932 7.754 4.147 287 H GLU 37 H GLU 37 24.068 8.735 -2.274 288 HA GLU 37 HA GLU 37 25.381 8.573 -4.928 289 1HB GLU 37 HB2 GLU 37 25.687 6.422 -2.768 290 2HB GLU 37 HB3 GLU 37 26.061 6.184 -4.472 291 1HG GLU 37 HG2 GLU 37 27.781 8.001 -4.319 292 2HG GLU 37 HG3 GLU 37 27.516 8.038 -2.568 293 H VAL 38 H VAL 38 24.545 6.583 -6.144 294 HA VAL 38 HA VAL 38 22.061 5.440 -5.119 295 HB VAL 38 HB VAL 38 20.791 5.706 -7.076 296 1HG1 VAL 38 HG11 VAL 38 20.939 7.764 -5.646 297 2HG1 VAL 38 HG12 VAL 38 22.101 8.423 -6.825 298 3HG1 VAL 38 HG13 VAL 38 20.439 8.055 -7.311 299 1HG2 VAL 38 HG21 VAL 38 21.534 6.811 -9.139 300 2HG2 VAL 38 HG22 VAL 38 23.193 6.891 -8.503 301 3HG2 VAL 38 HG23 VAL 38 22.412 5.319 -8.825 302 H ARG 39 H ARG 39 21.535 3.429 -6.387 303 HA ARG 39 HA ARG 39 23.788 2.259 -7.906 304 1HB ARG 39 HB2 ARG 39 24.097 1.491 -5.576 305 2HB ARG 39 HB3 ARG 39 22.436 0.894 -5.533 306 1HG ARG 39 HG2 ARG 39 22.956 -0.706 -7.363 307 2HG ARG 39 HG3 ARG 39 24.627 -0.124 -7.405 308 1HD ARG 39 HD2 ARG 39 23.242 -1.405 -5.009 309 2HD ARG 39 HD3 ARG 39 24.324 -2.251 -6.127 310 HE ARG 39 HE ARG 39 25.871 -0.167 -5.292 311 1HH1 ARG 39 HH21 ARG 39 24.091 -2.694 -3.549 312 2HH1 ARG 39 HH22 ARG 39 25.143 -2.695 -2.183 313 1HH2 ARG 39 HH11 ARG 39 27.272 -0.157 -3.469 314 2HH2 ARG 39 HH12 ARG 39 26.997 -1.224 -2.146 315 H LEU 40 H LEU 40 22.785 1.984 -9.819 316 HA LEU 40 HA LEU 40 19.907 1.388 -10.014 317 1HB LEU 40 HB2 LEU 40 22.105 2.237 -11.853 318 2HB LEU 40 HB3 LEU 40 21.062 1.027 -12.547 319 HG LEU 40 HG LEU 40 20.387 3.323 -13.095 320 1HD1 LEU 40 HD11 LEU 40 17.960 3.072 -12.536 321 2HD1 LEU 40 HD12 LEU 40 18.714 1.652 -13.269 322 3HD1 LEU 40 HD13 LEU 40 18.355 1.687 -11.527 323 1HD2 LEU 40 HD21 LEU 40 19.481 4.868 -11.538 324 2HD2 LEU 40 HD22 LEU 40 19.494 3.679 -10.219 325 3HD2 LEU 40 HD23 LEU 40 21.012 4.315 -10.851 326 H VAL 41 H VAL 41 19.331 -0.482 -11.422 327 HA VAL 41 HA VAL 41 21.102 -2.857 -11.017 328 HB VAL 41 HB VAL 41 18.095 -2.843 -11.260 329 1HG1 VAL 41 HG11 VAL 41 18.319 -5.221 -10.589 330 2HG1 VAL 41 HG12 VAL 41 19.145 -4.908 -12.114 331 3HG1 VAL 41 HG13 VAL 41 20.086 -5.067 -10.612 332 1HG2 VAL 41 HG21 VAL 41 18.196 -3.589 -8.826 333 2HG2 VAL 41 HG22 VAL 41 19.908 -3.136 -8.816 334 3HG2 VAL 41 HG23 VAL 41 18.652 -1.906 -9.080 335 HA PRO 42 HA PRO 42 21.094 -1.641 -15.387 336 1HB PRO 42 HB2 PRO 42 23.659 -2.364 -16.083 337 2HB PRO 42 HB3 PRO 42 23.275 -0.908 -15.121 338 1HG PRO 42 HG2 PRO 42 24.052 -3.655 -14.079 339 2HG PRO 42 HG3 PRO 42 24.797 -2.072 -13.674 340 1HD PRO 42 HD2 PRO 42 22.900 -3.165 -12.090 341 2HD PRO 42 HD3 PRO 42 22.906 -1.403 -12.415 342 H ASN 43 H ASN 43 20.018 -4.067 -14.330 343 HA ASN 43 HA ASN 43 20.046 -5.702 -16.740 344 1HB ASN 43 HB2 ASN 43 19.883 -6.802 -13.898 345 2HB ASN 43 HB3 ASN 43 19.599 -7.738 -15.355 346 1HD2 ASN 43 HD22 ASN 43 22.068 -6.419 -13.259 347 2HD2 ASN 43 HD21 ASN 43 23.433 -7.047 -14.143 348 H ARG 44 H ARG 44 18.291 -3.743 -14.533 349 HA ARG 44 HA ARG 44 15.732 -4.673 -15.752 350 1HB ARG 44 HB2 ARG 44 16.452 -4.480 -12.818 351 2HB ARG 44 HB3 ARG 44 14.857 -3.972 -13.331 352 1HG ARG 44 HG2 ARG 44 14.527 -6.203 -14.461 353 2HG ARG 44 HG3 ARG 44 16.079 -6.719 -13.785 354 1HD ARG 44 HD2 ARG 44 14.246 -7.539 -12.416 355 2HD ARG 44 HD3 ARG 44 15.198 -6.363 -11.492 356 HE ARG 44 HE ARG 44 13.228 -4.794 -12.576 357 1HH1 ARG 44 HH21 ARG 44 13.081 -7.762 -10.617 358 2HH1 ARG 44 HH22 ARG 44 11.573 -7.352 -9.887 359 1HH2 ARG 44 HH11 ARG 44 11.287 -4.250 -11.653 360 2HH2 ARG 44 HH12 ARG 44 10.507 -5.301 -10.505 361 H HIS 45 H HIS 45 17.527 -2.089 -14.119 362 HA HIS 45 HA HIS 45 17.396 0.063 -13.953 363 1HB HIS 45 HB2 HIS 45 15.728 0.148 -16.474 364 2HB HIS 45 HB3 HIS 45 16.676 1.453 -15.781 365 HD1 HIS 45 HD1 HIS 45 16.959 -0.270 -18.712 366 HD2 HIS 45 HD2 HIS 45 19.505 0.087 -15.379 367 HE1 HIS 45 HE1 HIS 45 19.310 -0.846 -19.535 368 H ASP 46 H ASP 46 14.235 -1.506 -14.152 369 HA ASP 46 HA ASP 46 12.714 0.849 -13.551 370 1HB ASP 46 HB2 ASP 46 10.831 -0.480 -13.590 371 2HB ASP 46 HB3 ASP 46 11.898 -1.253 -14.757 372 H ILE 47 H ILE 47 14.764 -0.926 -11.569 373 HA ILE 47 HA ILE 47 13.595 0.380 -9.244 374 HB ILE 47 HB ILE 47 13.775 -1.390 -7.787 375 1HG1 ILE 47 HG12 ILE 47 15.957 -2.297 -8.343 376 2HG1 ILE 47 HG13 ILE 47 14.753 -3.539 -8.067 377 1HG2 ILE 47 HG21 ILE 47 12.746 -2.757 -10.293 378 2HG2 ILE 47 HG22 ILE 47 12.333 -3.148 -8.609 379 3HG2 ILE 47 HG23 ILE 47 11.842 -1.600 -9.331 380 1HD1 ILE 47 HD11 ILE 47 14.597 -3.972 -10.478 381 2HD1 ILE 47 HD12 ILE 47 15.796 -2.695 -10.789 382 3HD1 ILE 47 HD13 ILE 47 16.241 -4.147 -9.864 383 H ALA 48 H ALA 48 15.207 0.797 -7.555 384 HA ALA 48 HA ALA 48 18.060 0.620 -8.194 385 1HB ALA 48 HB1 ALA 48 17.315 2.607 -9.548 386 2HB ALA 48 HB2 ALA 48 16.682 3.340 -8.055 387 3HB ALA 48 HB3 ALA 48 18.417 3.043 -8.230 388 H PHE 49 H PHE 49 19.269 1.909 -6.463 389 HA PHE 49 HA PHE 49 17.760 2.178 -3.929 390 1HB PHE 49 HB2 PHE 49 20.556 1.030 -4.295 391 2HB PHE 49 HB3 PHE 49 19.864 1.485 -2.752 392 HD1 PHE 49 HD1 PHE 49 18.601 -0.058 -1.484 393 HD2 PHE 49 HD2 PHE 49 19.337 -0.829 -5.673 394 HE1 PHE 49 HE1 PHE 49 17.648 -2.344 -1.250 395 HE2 PHE 49 HE2 PHE 49 18.304 -3.073 -5.458 396 HZ PHE 49 HZ PHE 49 17.496 -3.851 -3.224 397 H VAL 50 H VAL 50 18.581 3.911 -2.605 398 HA VAL 50 HA VAL 50 20.482 5.831 -3.851 399 HB VAL 50 HB VAL 50 17.685 6.411 -2.788 400 1HG1 VAL 50 HG11 VAL 50 18.110 8.759 -3.470 401 2HG1 VAL 50 HG12 VAL 50 19.145 8.234 -2.143 402 3HG1 VAL 50 HG13 VAL 50 19.812 8.350 -3.783 403 1HG2 VAL 50 HG21 VAL 50 17.214 7.247 -5.068 404 2HG2 VAL 50 HG22 VAL 50 18.803 6.652 -5.602 405 3HG2 VAL 50 HG23 VAL 50 17.566 5.516 -5.035 406 H GLU 51 H GLU 51 21.694 6.992 -2.241 407 HA GLU 51 HA GLU 51 21.273 6.168 0.580 408 1HB GLU 51 HB2 GLU 51 22.877 4.610 -0.334 409 2HB GLU 51 HB3 GLU 51 23.844 5.926 -1.036 410 1HG GLU 51 HG2 GLU 51 24.356 6.808 1.159 411 2HG GLU 51 HG3 GLU 51 23.298 5.633 1.949 412 H PHE 52 H PHE 52 21.777 7.630 2.038 413 HA PHE 52 HA PHE 52 22.521 10.391 1.224 414 1HB PHE 52 HB2 PHE 52 20.085 9.236 2.559 415 2HB PHE 52 HB3 PHE 52 20.692 10.722 3.226 416 HD1 PHE 52 HD1 PHE 52 19.941 9.329 -0.215 417 HD2 PHE 52 HD2 PHE 52 19.795 12.695 2.467 418 HE1 PHE 52 HE1 PHE 52 18.872 10.694 -1.980 419 HE2 PHE 52 HE2 PHE 52 18.678 14.045 0.715 420 HZ PHE 52 HZ PHE 52 18.264 13.059 -1.529 421 H THR 53 H THR 53 22.970 11.717 3.121 422 HA THR 53 HA THR 53 24.961 10.627 4.899 423 HB THR 53 HB THR 53 23.479 13.295 4.725 424 HG1 THR 53 HG1 THR 53 24.714 12.913 2.935 425 1HG2 THR 53 HG21 THR 53 25.381 14.226 6.043 426 2HG2 THR 53 HG22 THR 53 24.346 13.123 6.962 427 3HG2 THR 53 HG23 THR 53 25.926 12.559 6.372 428 H THR 54 H THR 54 21.589 11.858 5.340 429 HA THR 54 HA THR 54 21.473 10.515 7.971 430 HB THR 54 HB THR 54 20.122 12.857 8.389 431 HG1 THR 54 HG1 THR 54 21.518 14.514 7.676 432 1HG2 THR 54 HG21 THR 54 23.098 12.392 8.800 433 2HG2 THR 54 HG22 THR 54 22.102 13.602 9.648 434 3HG2 THR 54 HG23 THR 54 21.784 11.876 9.880 435 H GLU 55 H GLU 55 19.558 9.959 8.661 436 HA GLU 55 HA GLU 55 17.841 8.787 6.737 437 1HB GLU 55 HB2 GLU 55 17.089 9.289 9.653 438 2HB GLU 55 HB3 GLU 55 16.532 8.022 8.575 439 1HG GLU 55 HG2 GLU 55 17.934 6.819 9.849 440 2HG GLU 55 HG3 GLU 55 19.064 7.267 8.577 441 H LEU 56 H LEU 56 17.599 11.739 8.628 442 HA LEU 56 HA LEU 56 14.824 12.272 8.040 443 1HB LEU 56 HB2 LEU 56 17.075 14.095 8.959 444 2HB LEU 56 HB3 LEU 56 15.343 14.488 8.982 445 HG LEU 56 HG LEU 56 16.870 12.477 10.679 446 1HD1 LEU 56 HD11 LEU 56 15.066 14.811 11.428 447 2HD1 LEU 56 HD12 LEU 56 15.980 13.776 12.548 448 3HD1 LEU 56 HD13 LEU 56 16.844 14.829 11.417 449 1HD2 LEU 56 HD21 LEU 56 13.842 12.677 10.446 450 2HD2 LEU 56 HD22 LEU 56 14.867 11.254 10.110 451 3HD2 LEU 56 HD23 LEU 56 14.711 11.846 11.758 452 H GLN 57 H GLN 57 17.905 12.983 6.391 453 HA GLN 57 HA GLN 57 16.633 14.956 4.633 454 1HB GLN 57 HB2 GLN 57 19.398 13.680 4.522 455 2HB GLN 57 HB3 GLN 57 18.789 14.968 3.465 456 1HG GLN 57 HG2 GLN 57 18.272 16.244 5.699 457 2HG GLN 57 HG3 GLN 57 19.374 15.082 6.440 458 1HE2 GLN 57 HE22 GLN 57 21.669 15.101 5.691 459 2HE2 GLN 57 HE21 GLN 57 22.294 16.514 4.834 460 H SER 58 H SER 58 17.606 11.438 4.421 461 HA SER 58 HA SER 58 16.661 11.177 1.719 462 1HB SER 58 HB2 SER 58 16.314 8.755 2.496 463 2HB SER 58 HB3 SER 58 17.955 9.381 2.420 464 HG SER 58 HG SER 58 16.940 8.230 4.456 465 H ASN 59 H ASN 59 15.025 10.914 4.936 466 HA ASN 59 HA ASN 59 12.478 10.233 3.946 467 1HB ASN 59 HB2 ASN 59 12.911 10.189 6.322 468 2HB ASN 59 HB3 ASN 59 13.258 11.914 6.349 469 1HD2 ASN 59 HD22 ASN 59 11.575 13.194 7.056 470 2HD2 ASN 59 HD21 ASN 59 9.890 12.769 6.929 471 H ALA 60 H ALA 60 13.832 13.535 4.436 472 HA ALA 60 HA ALA 60 11.582 14.893 3.373 473 1HB ALA 60 HB1 ALA 60 13.406 16.031 4.572 474 2HB ALA 60 HB2 ALA 60 14.510 15.716 3.208 475 3HB ALA 60 HB3 ALA 60 13.101 16.774 2.989 476 H ALA 61 H ALA 61 14.433 13.578 1.662 477 HA ALA 61 HA ALA 61 13.673 14.443 -0.934 478 1HB ALA 61 HB1 ALA 61 15.270 11.953 -0.198 479 2HB ALA 61 HB2 ALA 61 15.237 12.803 -1.753 480 3HB ALA 61 HB3 ALA 61 15.936 13.599 -0.326 481 H LYS 62 H LYS 62 12.826 11.439 0.862 482 HA LYS 62 HA LYS 62 11.366 10.160 -1.207 483 1HB LYS 62 HB2 LYS 62 11.928 8.931 0.799 484 2HB LYS 62 HB3 LYS 62 11.104 10.097 1.822 485 1HG LYS 62 HG2 LYS 62 8.917 9.452 0.747 486 2HG LYS 62 HG3 LYS 62 9.780 8.160 -0.101 487 1HD LYS 62 HD2 LYS 62 10.422 7.154 2.036 488 2HD LYS 62 HD3 LYS 62 9.723 8.508 2.935 489 1HE LYS 62 HE2 LYS 62 8.144 6.618 1.131 490 2HE LYS 62 HE3 LYS 62 8.282 6.472 2.893 491 1HZ LYS 62 HZ1 LYS 62 6.781 8.452 1.354 492 2HZ LYS 62 HZ2 LYS 62 6.345 7.604 2.690 493 3HZ LYS 62 HZ3 LYS 62 7.349 8.922 2.799 494 H GLU 63 H GLU 63 10.177 12.381 1.409 495 HA GLU 63 HA GLU 63 7.519 12.386 0.434 496 1HB GLU 63 HB2 GLU 63 8.981 14.577 1.974 497 2HB GLU 63 HB3 GLU 63 7.236 14.465 1.770 498 1HG GLU 63 HG2 GLU 63 9.019 12.556 3.321 499 2HG GLU 63 HG3 GLU 63 7.849 13.676 3.972 500 H ALA 64 H ALA 64 10.310 14.340 -0.513 501 HA ALA 64 HA ALA 64 8.884 16.231 -2.109 502 1HB ALA 64 HB1 ALA 64 11.153 16.590 -1.178 503 2HB ALA 64 HB2 ALA 64 11.780 15.310 -2.247 504 3HB ALA 64 HB3 ALA 64 11.121 16.804 -2.944 505 H LEU 65 H LEU 65 10.443 13.075 -2.959 506 HA LEU 65 HA LEU 65 9.666 13.565 -5.802 507 1HB LEU 65 HB2 LEU 65 11.914 11.912 -4.617 508 2HB LEU 65 HB3 LEU 65 11.490 11.944 -6.323 509 HG LEU 65 HG LEU 65 12.521 14.298 -4.712 510 1HD1 LEU 65 HD11 LEU 65 14.222 12.607 -5.247 511 2HD1 LEU 65 HD12 LEU 65 13.751 12.632 -6.954 512 3HD1 LEU 65 HD13 LEU 65 14.492 14.067 -6.215 513 1HD2 LEU 65 HD21 LEU 65 11.763 14.143 -7.665 514 2HD2 LEU 65 HD22 LEU 65 11.001 15.172 -6.429 515 3HD2 LEU 65 HD23 LEU 65 12.666 15.474 -6.912 516 H GLN 66 H GLN 66 8.550 11.607 -3.247 517 HA GLN 66 HA GLN 66 7.885 9.273 -4.783 518 1HB GLN 66 HB2 GLN 66 6.601 10.632 -2.400 519 2HB GLN 66 HB3 GLN 66 5.716 9.382 -3.281 520 1HG GLN 66 HG2 GLN 66 7.651 7.816 -2.991 521 2HG GLN 66 HG3 GLN 66 8.418 9.003 -1.940 522 1HE2 GLN 66 HE22 GLN 66 7.128 6.153 -1.455 523 2HE2 GLN 66 HE21 GLN 66 5.964 6.442 -0.198 524 H GLY 67 H GLY 67 6.650 9.008 -6.496 525 1HA GLY 67 HA2 GLY 67 4.860 9.252 -7.923 526 2HA GLY 67 HA3 GLY 67 4.352 10.728 -7.099 527 H PHE 68 H PHE 68 7.690 11.068 -7.772 528 HA PHE 68 HA PHE 68 7.149 13.145 -9.678 529 1HB PHE 68 HB2 PHE 68 8.987 13.230 -8.037 530 2HB PHE 68 HB3 PHE 68 9.744 11.821 -8.772 531 HD1 PHE 68 HD1 PHE 68 10.996 11.993 -10.863 532 HD2 PHE 68 HD2 PHE 68 9.019 15.435 -9.164 533 HE1 PHE 68 HE1 PHE 68 12.264 13.481 -12.387 534 HE2 PHE 68 HE2 PHE 68 10.306 16.918 -10.683 535 HZ PHE 68 HZ PHE 68 11.931 15.944 -12.298 536 H LYS 69 H LYS 69 6.854 12.903 -11.838 537 HA LYS 69 HA LYS 69 7.362 10.417 -13.260 538 1HB LYS 69 HB2 LYS 69 6.406 13.164 -14.009 539 2HB LYS 69 HB3 LYS 69 7.320 12.301 -15.242 540 1HG LYS 69 HG2 LYS 69 5.050 11.811 -15.629 541 2HG LYS 69 HG3 LYS 69 5.851 10.355 -15.056 542 1HD LYS 69 HD2 LYS 69 4.927 10.864 -12.734 543 2HD LYS 69 HD3 LYS 69 3.931 12.118 -13.480 544 1HE LYS 69 HE2 LYS 69 4.001 9.181 -14.331 545 2HE LYS 69 HE3 LYS 69 2.840 9.836 -13.163 546 1HZ LYS 69 HZ1 LYS 69 3.008 10.488 -16.041 547 2HZ LYS 69 HZ2 LYS 69 1.776 9.791 -15.246 548 3HZ LYS 69 HZ3 LYS 69 2.094 11.366 -14.980 549 H ILE 70 H ILE 70 9.361 9.655 -13.423 550 HA ILE 70 HA ILE 70 11.727 11.395 -13.724 551 HB ILE 70 HB ILE 70 11.377 8.424 -14.187 552 1HG1 ILE 70 HG12 ILE 70 12.516 9.936 -11.798 553 2HG1 ILE 70 HG13 ILE 70 10.938 9.145 -11.844 554 1HG2 ILE 70 HG21 ILE 70 13.882 10.148 -13.880 555 2HG2 ILE 70 HG22 ILE 70 13.861 8.389 -14.131 556 3HG2 ILE 70 HG23 ILE 70 13.302 9.467 -15.410 557 1HD1 ILE 70 HD11 ILE 70 12.459 7.716 -10.687 558 2HD1 ILE 70 HD12 ILE 70 12.028 6.957 -12.218 559 3HD1 ILE 70 HD13 ILE 70 13.621 7.732 -12.017 560 H THR 71 H THR 71 9.573 9.293 -15.765 561 HA THR 71 HA THR 71 9.814 11.252 -17.932 562 HB THR 71 HB THR 71 9.720 9.404 -19.591 563 HG1 THR 71 HG1 THR 71 10.460 7.353 -18.891 564 1HG2 THR 71 HG21 THR 71 12.226 9.214 -17.863 565 2HG2 THR 71 HG22 THR 71 12.086 8.822 -19.589 566 3HG2 THR 71 HG23 THR 71 11.907 10.498 -19.050 567 HA PRO 72 HA PRO 72 5.630 11.630 -17.829 568 1HB PRO 72 HB2 PRO 72 5.252 10.275 -20.508 569 2HB PRO 72 HB3 PRO 72 4.475 11.770 -19.888 570 1HG PRO 72 HG2 PRO 72 6.628 11.974 -21.498 571 2HG PRO 72 HG3 PRO 72 6.545 12.980 -20.013 572 1HD PRO 72 HD2 PRO 72 8.071 10.423 -20.481 573 2HD PRO 72 HD3 PRO 72 8.590 11.908 -19.628 574 H THR 73 H THR 73 6.461 8.246 -18.380 575 HA THR 73 HA THR 73 3.843 7.401 -17.278 576 HB THR 73 HB THR 73 4.413 5.276 -18.655 577 HG1 THR 73 HG1 THR 73 5.890 5.570 -20.298 578 1HG2 THR 73 HG21 THR 73 2.691 6.935 -19.349 579 2HG2 THR 73 HG22 THR 73 3.940 7.867 -20.203 580 3HG2 THR 73 HG23 THR 73 3.534 6.220 -20.731 581 H HIS 74 H HIS 74 6.726 7.978 -16.054 582 HA HIS 74 HA HIS 74 6.816 5.476 -14.432 583 1HB HIS 74 HB2 HIS 74 9.175 6.937 -15.655 584 2HB HIS 74 HB3 HIS 74 9.250 5.597 -14.505 585 HD1 HIS 74 HD1 HIS 74 8.804 6.273 -18.169 586 HD2 HIS 74 HD2 HIS 74 8.293 3.137 -15.413 587 HE1 HIS 74 HE1 HIS 74 8.519 4.139 -19.554 588 H ALA 75 H ALA 75 5.438 6.826 -13.125 589 HA ALA 75 HA ALA 75 6.539 9.037 -11.597 590 1HB ALA 75 HB1 ALA 75 4.101 8.691 -11.738 591 2HB ALA 75 HB2 ALA 75 4.262 7.091 -10.982 592 3HB ALA 75 HB3 ALA 75 4.655 8.559 -10.067 593 H MET 76 H MET 76 8.393 8.667 -10.545 594 HA MET 76 HA MET 76 9.577 6.383 -9.574 595 1HB MET 76 HB2 MET 76 10.505 8.701 -9.731 596 2HB MET 76 HB3 MET 76 9.517 9.189 -8.361 597 1HG MET 76 HG2 MET 76 10.707 7.462 -6.977 598 2HG MET 76 HG3 MET 76 11.782 7.165 -8.346 599 1HE MET 76 HE1 MET 76 12.166 10.230 -9.502 600 2HE MET 76 HE2 MET 76 13.612 10.716 -8.596 601 3HE MET 76 HE3 MET 76 13.521 9.091 -9.298 602 H LYS 77 H LYS 77 8.957 4.882 -8.060 603 HA LYS 77 HA LYS 77 7.237 5.759 -5.789 604 1HB LYS 77 HB2 LYS 77 6.426 3.822 -7.149 605 2HB LYS 77 HB3 LYS 77 7.926 2.955 -6.781 606 1HG LYS 77 HG2 LYS 77 7.394 2.971 -4.390 607 2HG LYS 77 HG3 LYS 77 6.017 4.042 -4.671 608 1HD LYS 77 HD2 LYS 77 5.158 1.854 -4.279 609 2HD LYS 77 HD3 LYS 77 4.903 2.225 -5.991 610 1HE LYS 77 HE2 LYS 77 6.898 0.875 -6.585 611 2HE LYS 77 HE3 LYS 77 7.226 0.589 -4.878 612 1HZ LYS 77 HZ1 LYS 77 6.115 -1.299 -5.815 613 2HZ LYS 77 HZ2 LYS 77 5.097 -0.608 -4.750 614 3HZ LYS 77 HZ3 LYS 77 4.857 -0.405 -6.354 615 H ILE 78 H ILE 78 8.144 5.442 -3.692 616 HA ILE 78 HA ILE 78 11.032 4.782 -3.526 617 HB ILE 78 HB ILE 78 9.731 7.219 -2.263 618 1HG1 ILE 78 HG12 ILE 78 11.704 7.219 -4.572 619 2HG1 ILE 78 HG13 ILE 78 9.986 7.601 -4.693 620 1HG2 ILE 78 HG21 ILE 78 12.027 7.843 -1.552 621 2HG2 ILE 78 HG22 ILE 78 11.491 6.340 -0.849 622 3HG2 ILE 78 HG23 ILE 78 12.620 6.312 -2.210 623 1HD1 ILE 78 HD11 ILE 78 10.360 9.514 -3.109 624 2HD1 ILE 78 HD12 ILE 78 12.110 9.227 -3.269 625 3HD1 ILE 78 HD13 ILE 78 11.146 9.653 -4.684 626 H THR 79 H THR 79 11.509 3.792 -1.620 627 HA THR 79 HA THR 79 9.650 3.700 0.647 628 HB THR 79 HB THR 79 10.355 1.101 0.617 629 HG1 THR 79 HG1 THR 79 11.284 1.679 -1.660 630 1HG2 THR 79 HG21 THR 79 8.017 1.988 0.669 631 2HG2 THR 79 HG22 THR 79 8.054 2.111 -1.103 632 3HG2 THR 79 HG23 THR 79 8.189 0.526 -0.312 633 H PHE 80 H PHE 80 10.941 2.848 2.596 634 HA PHE 80 HA PHE 80 13.740 3.755 2.412 635 1HB PHE 80 HB2 PHE 80 12.095 2.601 4.687 636 2HB PHE 80 HB3 PHE 80 13.799 3.021 4.814 637 HD1 PHE 80 HD1 PHE 80 10.419 4.327 4.913 638 HD2 PHE 80 HD2 PHE 80 14.538 5.431 4.313 639 HE1 PHE 80 HE1 PHE 80 9.837 6.708 5.299 640 HE2 PHE 80 HE2 PHE 80 13.952 7.818 4.653 641 HZ PHE 80 HZ PHE 80 11.590 8.452 5.146 642 H ALA 81 H ALA 81 15.507 2.372 2.417 643 HA ALA 81 HA ALA 81 15.030 -0.438 1.622 644 1HB ALA 81 HB1 ALA 81 17.617 1.063 2.202 645 2HB ALA 81 HB2 ALA 81 17.485 -0.564 1.516 646 3HB ALA 81 HB3 ALA 81 16.906 0.828 0.583 647 H LYS 82 H LYS 82 15.831 -2.176 3.018 648 HA LYS 82 HA LYS 82 15.615 -1.479 5.926 649 1HB LYS 82 HB2 LYS 82 14.288 -3.655 4.284 650 2HB LYS 82 HB3 LYS 82 14.364 -3.688 6.052 651 1HG LYS 82 HG2 LYS 82 12.980 -1.808 6.313 652 2HG LYS 82 HG3 LYS 82 13.306 -1.182 4.711 653 1HD LYS 82 HD2 LYS 82 11.029 -2.026 4.777 654 2HD LYS 82 HD3 LYS 82 12.005 -2.988 3.664 655 1HE LYS 82 HE2 LYS 82 12.302 -4.703 5.503 656 2HE LYS 82 HE3 LYS 82 11.193 -3.759 6.506 657 1HZ LYS 82 HZ1 LYS 82 10.508 -4.969 3.877 658 2HZ LYS 82 HZ2 LYS 82 10.060 -5.559 5.342 659 3HZ LYS 82 HZ3 LYS 82 9.473 -4.128 4.801 660 H LYS 83 H LYS 83 17.694 -1.534 6.405 661 HA LYS 83 HA LYS 83 19.732 -3.163 5.353 662 1HB LYS 83 HB2 LYS 83 19.495 -1.833 8.082 663 2HB LYS 83 HB3 LYS 83 20.988 -2.496 7.414 664 1HG LYS 83 HG2 LYS 83 20.978 -0.914 5.567 665 2HG LYS 83 HG3 LYS 83 19.394 -0.295 6.022 666 1HD LYS 83 HD2 LYS 83 21.954 0.032 7.633 667 2HD LYS 83 HD3 LYS 83 21.141 1.260 6.653 668 1HE LYS 83 HE2 LYS 83 19.057 0.765 8.181 669 2HE LYS 83 HE3 LYS 83 20.230 0.006 9.266 670 1HZ LYS 83 HZ1 LYS 83 21.426 2.192 9.224 671 2HZ LYS 83 HZ2 LYS 83 20.152 2.823 8.378 672 3HZ LYS 83 HZ3 LYS 83 19.940 2.268 9.895 Start of MODEL 6 1 1H ALA 1 H1 ALA 1 9.360 -7.656 -1.585 2 2H ALA 1 H2 ALA 1 7.864 -7.196 -1.109 3 3H ALA 1 H3 ALA 1 8.039 -8.286 -2.323 4 HA ALA 1 HA ALA 1 9.069 -6.693 -3.735 5 1HB ALA 1 HB1 ALA 1 7.148 -5.199 -4.170 6 2HB ALA 1 HB2 ALA 1 6.654 -6.887 -3.965 7 3HB ALA 1 HB3 ALA 1 6.387 -5.722 -2.652 8 H GLN 2 H GLN 2 7.503 -4.463 -1.349 9 HA GLN 2 HA GLN 2 10.043 -3.324 -0.539 10 1HB GLN 2 HB2 GLN 2 9.619 -1.099 -1.372 11 2HB GLN 2 HB3 GLN 2 9.682 -2.218 -2.723 12 1HG GLN 2 HG2 GLN 2 7.107 -2.245 -2.656 13 2HG GLN 2 HG3 GLN 2 7.221 -0.868 -1.555 14 1HE2 GLN 2 HE22 GLN 2 9.203 0.771 -2.627 15 2HE2 GLN 2 HE21 GLN 2 8.864 1.118 -4.315 16 H THR 3 H THR 3 9.533 -1.472 1.112 17 HA THR 3 HA THR 3 6.905 -1.808 2.420 18 HB THR 3 HB THR 3 9.342 -2.154 4.140 19 HG1 THR 3 HG1 THR 3 8.322 -4.307 2.620 20 1HG2 THR 3 HG21 THR 3 6.614 -3.507 4.175 21 2HG2 THR 3 HG22 THR 3 7.885 -3.657 5.412 22 3HG2 THR 3 HG23 THR 3 7.093 -2.096 5.144 23 H GLU 4 H GLU 4 6.347 0.048 3.591 24 HA GLU 4 HA GLU 4 8.314 2.268 3.676 25 1HB GLU 4 HB2 GLU 4 5.989 2.739 2.932 26 2HB GLU 4 HB3 GLU 4 5.377 2.195 4.504 27 1HG GLU 4 HG2 GLU 4 6.549 4.009 5.643 28 2HG GLU 4 HG3 GLU 4 7.428 4.431 4.172 29 H GLN 5 H GLN 5 8.984 3.072 5.790 30 HA GLN 5 HA GLN 5 8.627 1.349 8.150 31 1HB GLN 5 HB2 GLN 5 11.249 1.773 6.625 32 2HB GLN 5 HB3 GLN 5 11.188 1.148 8.254 33 1HG GLN 5 HG2 GLN 5 9.962 -0.265 5.851 34 2HG GLN 5 HG3 GLN 5 11.550 -0.570 6.524 35 1HE2 GLN 5 HE22 GLN 5 8.051 -0.827 7.213 36 2HE2 GLN 5 HE21 GLN 5 8.224 -2.020 8.490 37 HA PRO 6 HA PRO 6 9.915 5.265 10.190 38 1HB PRO 6 HB2 PRO 6 12.087 3.562 11.422 39 2HB PRO 6 HB3 PRO 6 11.072 4.819 12.195 40 1HG PRO 6 HG2 PRO 6 10.485 2.199 12.554 41 2HG PRO 6 HG3 PRO 6 9.165 3.368 12.216 42 1HD PRO 6 HD2 PRO 6 10.536 1.474 10.303 43 2HD PRO 6 HD3 PRO 6 8.790 1.830 10.471 44 HA PRO 7 HA PRO 7 12.902 6.649 7.296 45 1HB PRO 7 HB2 PRO 7 14.138 8.249 9.551 46 2HB PRO 7 HB3 PRO 7 13.772 8.767 7.873 47 1HG PRO 7 HG2 PRO 7 12.077 9.399 9.887 48 2HG PRO 7 HG3 PRO 7 11.423 8.805 8.324 49 1HD PRO 7 HD2 PRO 7 11.802 7.277 10.905 50 2HD PRO 7 HD3 PRO 7 10.446 7.236 9.737 51 H ASN 8 H ASN 8 14.942 6.281 6.450 52 HA ASN 8 HA ASN 8 17.167 5.339 8.119 53 1HB ASN 8 HB2 ASN 8 16.029 3.212 7.558 54 2HB ASN 8 HB3 ASN 8 15.914 3.700 5.866 55 1HD2 ASN 8 HD22 ASN 8 17.209 2.160 4.901 56 2HD2 ASN 8 HD21 ASN 8 18.926 1.999 5.237 57 H GLN 9 H GLN 9 19.184 5.664 6.946 58 HA GLN 9 HA GLN 9 19.055 7.905 5.126 59 1HB GLN 9 HB2 GLN 9 21.398 8.036 5.356 60 2HB GLN 9 HB3 GLN 9 20.735 7.666 6.938 61 1HG GLN 9 HG2 GLN 9 21.376 5.267 6.642 62 2HG GLN 9 HG3 GLN 9 22.059 5.655 5.058 63 1HE2 GLN 9 HE22 GLN 9 23.723 7.609 5.118 64 2HE2 GLN 9 HE21 GLN 9 24.878 7.509 6.427 65 H ILE 10 H ILE 10 18.267 4.921 4.226 66 HA ILE 10 HA ILE 10 19.556 5.114 1.592 67 HB ILE 10 HB ILE 10 19.288 2.441 3.010 68 1HG1 ILE 10 HG12 ILE 10 21.797 4.142 2.815 69 2HG1 ILE 10 HG13 ILE 10 20.949 3.662 4.289 70 1HG2 ILE 10 HG21 ILE 10 20.656 1.600 1.155 71 2HG2 ILE 10 HG22 ILE 10 19.275 2.447 0.498 72 3HG2 ILE 10 HG23 ILE 10 20.858 3.247 0.519 73 1HD1 ILE 10 HD11 ILE 10 21.466 1.262 3.756 74 2HD1 ILE 10 HD12 ILE 10 22.523 1.846 2.447 75 3HD1 ILE 10 HD13 ILE 10 22.869 2.288 4.123 76 H LEU 11 H LEU 11 18.143 4.514 -0.012 77 HA LEU 11 HA LEU 11 15.308 3.975 0.755 78 1HB LEU 11 HB2 LEU 11 16.390 5.805 -1.426 79 2HB LEU 11 HB3 LEU 11 14.693 5.492 -1.082 80 HG LEU 11 HG LEU 11 16.634 6.919 0.792 81 1HD1 LEU 11 HD11 LEU 11 16.121 8.247 -1.202 82 2HD1 LEU 11 HD12 LEU 11 14.383 8.028 -0.921 83 3HD1 LEU 11 HD13 LEU 11 15.364 8.943 0.238 84 1HD2 LEU 11 HD21 LEU 11 13.658 6.309 1.033 85 2HD2 LEU 11 HD22 LEU 11 14.978 5.820 2.123 86 3HD2 LEU 11 HD23 LEU 11 14.498 7.515 2.025 87 H PHE 12 H PHE 12 14.177 2.717 -0.750 88 HA PHE 12 HA PHE 12 15.709 1.452 -2.970 89 1HB PHE 12 HB2 PHE 12 15.285 -0.275 -1.290 90 2HB PHE 12 HB3 PHE 12 13.597 0.216 -1.157 91 HD1 PHE 12 HD1 PHE 12 16.041 -0.803 -3.855 92 HD2 PHE 12 HD2 PHE 12 11.991 -1.007 -2.402 93 HE1 PHE 12 HE1 PHE 12 15.483 -2.404 -5.656 94 HE2 PHE 12 HE2 PHE 12 11.451 -2.661 -4.173 95 HZ PHE 12 HZ PHE 12 13.185 -3.353 -5.811 96 H LEU 13 H LEU 13 14.627 1.567 -4.900 97 HA LEU 13 HA LEU 13 12.103 3.153 -4.947 98 1HB LEU 13 HB2 LEU 13 14.756 3.530 -6.396 99 2HB LEU 13 HB3 LEU 13 13.241 4.085 -7.069 100 HG LEU 13 HG LEU 13 12.828 5.484 -5.051 101 1HD1 LEU 13 HD11 LEU 13 14.197 4.650 -3.313 102 2HD1 LEU 13 HD12 LEU 13 15.643 4.582 -4.340 103 3HD1 LEU 13 HD13 LEU 13 14.987 6.144 -3.793 104 1HD2 LEU 13 HD21 LEU 13 15.387 6.021 -6.603 105 2HD2 LEU 13 HD22 LEU 13 13.740 6.342 -7.193 106 3HD2 LEU 13 HD23 LEU 13 14.359 7.230 -5.807 107 H THR 14 H THR 14 10.801 2.798 -6.704 108 HA THR 14 HA THR 14 11.375 0.587 -8.586 109 HB THR 14 HB THR 14 9.145 -0.425 -7.992 110 HG1 THR 14 HG1 THR 14 8.262 0.112 -6.001 111 1HG2 THR 14 HG21 THR 14 9.860 -1.665 -6.066 112 2HG2 THR 14 HG22 THR 14 11.311 -1.344 -7.028 113 3HG2 THR 14 HG23 THR 14 10.988 -0.388 -5.572 114 H ASN 15 H ASN 15 9.358 0.348 -10.074 115 HA ASN 15 HA ASN 15 8.214 1.147 -11.786 116 1HB ASN 15 HB2 ASN 15 6.626 1.666 -9.897 117 2HB ASN 15 HB3 ASN 15 7.231 3.325 -9.927 118 1HD2 ASN 15 HD22 ASN 15 5.792 4.642 -10.994 119 2HD2 ASN 15 HD21 ASN 15 4.778 4.143 -12.347 120 H LEU 16 H LEU 16 10.919 2.082 -11.501 121 HA LEU 16 HA LEU 16 11.064 4.836 -12.474 122 1HB LEU 16 HB2 LEU 16 13.256 2.739 -12.493 123 2HB LEU 16 HB3 LEU 16 13.440 4.479 -12.455 124 HG LEU 16 HG LEU 16 12.408 2.780 -10.153 125 1HD1 LEU 16 HD11 LEU 16 14.801 2.493 -10.683 126 2HD1 LEU 16 HD12 LEU 16 15.041 4.230 -10.511 127 3HD1 LEU 16 HD13 LEU 16 14.521 3.265 -9.106 128 1HD2 LEU 16 HD21 LEU 16 12.309 4.734 -8.836 129 2HD2 LEU 16 HD22 LEU 16 13.199 5.701 -10.028 130 3HD2 LEU 16 HD23 LEU 16 11.511 5.200 -10.315 131 HA PRO 17 HA PRO 17 11.067 4.097 -16.933 132 1HB PRO 17 HB2 PRO 17 13.973 4.856 -16.916 133 2HB PRO 17 HB3 PRO 17 12.684 5.339 -18.059 134 1HG PRO 17 HG2 PRO 17 13.493 6.985 -16.070 135 2HG PRO 17 HG3 PRO 17 11.750 6.847 -16.469 136 1HD PRO 17 HD2 PRO 17 13.250 5.668 -14.173 137 2HD PRO 17 HD3 PRO 17 11.566 6.252 -14.241 138 H GLU 18 H GLU 18 11.866 2.560 -18.547 139 HA GLU 18 HA GLU 18 13.243 0.192 -17.479 140 1HB GLU 18 HB2 GLU 18 12.243 0.903 -20.275 141 2HB GLU 18 HB3 GLU 18 12.938 -0.657 -19.811 142 1HG GLU 18 HG2 GLU 18 11.132 -0.947 -18.113 143 2HG GLU 18 HG3 GLU 18 10.384 0.550 -18.671 144 H GLU 19 H GLU 19 14.436 3.103 -18.032 145 HA GLU 19 HA GLU 19 16.910 2.229 -19.275 146 1HB GLU 19 HB2 GLU 19 15.390 4.764 -20.034 147 2HB GLU 19 HB3 GLU 19 16.899 4.191 -20.753 148 1HG GLU 19 HG2 GLU 19 15.650 2.163 -21.596 149 2HG GLU 19 HG3 GLU 19 14.151 2.906 -21.013 150 H THR 20 H THR 20 15.804 3.244 -16.440 151 HA THR 20 HA THR 20 16.966 5.742 -15.863 152 HB THR 20 HB THR 20 16.924 3.567 -13.784 153 HG1 THR 20 HG1 THR 20 15.005 3.043 -14.263 154 1HG2 THR 20 HG21 THR 20 15.856 6.428 -13.864 155 2HG2 THR 20 HG22 THR 20 15.893 5.363 -12.443 156 3HG2 THR 20 HG23 THR 20 17.411 5.925 -13.156 157 H ASN 21 H ASN 21 18.968 6.316 -14.967 158 HA ASN 21 HA ASN 21 21.066 4.264 -14.820 159 1HB ASN 21 HB2 ASN 21 21.247 5.278 -17.093 160 2HB ASN 21 HB3 ASN 21 21.315 6.884 -16.362 161 1HD2 ASN 21 HD22 ASN 21 23.425 7.239 -17.367 162 2HD2 ASN 21 HD21 ASN 21 24.842 6.516 -16.652 163 H GLU 22 H GLU 22 22.878 5.112 -13.456 164 HA GLU 22 HA GLU 22 21.823 6.172 -11.051 165 1HB GLU 22 HB2 GLU 22 24.730 6.004 -11.961 166 2HB GLU 22 HB3 GLU 22 24.178 6.255 -10.287 167 1HG GLU 22 HG2 GLU 22 22.943 4.113 -10.394 168 2HG GLU 22 HG3 GLU 22 23.583 3.845 -12.029 169 H MET 23 H MET 23 23.518 7.726 -13.691 170 HA MET 23 HA MET 23 23.953 10.272 -12.574 171 1HB MET 23 HB2 MET 23 23.384 9.409 -15.446 172 2HB MET 23 HB3 MET 23 23.801 11.062 -14.991 173 1HG MET 23 HG2 MET 23 25.787 10.029 -15.718 174 2HG MET 23 HG3 MET 23 25.901 10.274 -13.976 175 1HE MET 23 HE1 MET 23 28.057 8.771 -13.877 176 2HE MET 23 HE2 MET 23 28.162 7.138 -14.571 177 3HE MET 23 HE3 MET 23 27.963 8.544 -15.639 178 H MET 24 H MET 24 20.995 8.931 -13.996 179 HA MET 24 HA MET 24 19.553 11.415 -14.219 180 1HB MET 24 HB2 MET 24 18.397 8.589 -13.855 181 2HB MET 24 HB3 MET 24 17.516 10.032 -14.352 182 1HG MET 24 HG2 MET 24 18.980 10.196 -16.354 183 2HG MET 24 HG3 MET 24 19.771 8.688 -15.852 184 1HE MET 24 HE1 MET 24 17.746 7.490 -18.961 185 2HE MET 24 HE2 MET 24 18.629 9.015 -18.738 186 3HE MET 24 HE3 MET 24 19.322 7.487 -18.144 187 H LEU 25 H LEU 25 19.469 8.801 -11.792 188 HA LEU 25 HA LEU 25 17.704 10.318 -10.080 189 1HB LEU 25 HB2 LEU 25 19.470 7.951 -9.377 190 2HB LEU 25 HB3 LEU 25 18.184 8.616 -8.374 191 HG LEU 25 HG LEU 25 17.972 7.070 -10.977 192 1HD1 LEU 25 HD11 LEU 25 18.112 5.817 -8.872 193 2HD1 LEU 25 HD12 LEU 25 16.762 6.754 -8.202 194 3HD1 LEU 25 HD13 LEU 25 16.498 5.655 -9.575 195 1HD2 LEU 25 HD21 LEU 25 15.827 8.800 -9.691 196 2HD2 LEU 25 HD22 LEU 25 16.421 8.847 -11.375 197 3HD2 LEU 25 HD23 LEU 25 15.471 7.468 -10.824 198 H SER 26 H SER 26 21.265 10.064 -10.346 199 HA SER 26 HA SER 26 21.848 11.409 -7.909 200 1HB SER 26 HB2 SER 26 23.396 11.474 -10.534 201 2HB SER 26 HB3 SER 26 24.002 11.978 -8.946 202 HG SER 26 HG SER 26 23.188 9.389 -9.778 203 H MET 27 H MET 27 21.345 12.752 -11.259 204 HA MET 27 HA MET 27 21.579 15.435 -10.282 205 1HB MET 27 HB2 MET 27 20.822 16.222 -12.380 206 2HB MET 27 HB3 MET 27 21.938 14.886 -12.647 207 1HG MET 27 HG2 MET 27 20.113 13.405 -13.216 208 2HG MET 27 HG3 MET 27 18.908 14.610 -12.748 209 1HE MET 27 HE1 MET 27 18.269 14.440 -16.559 210 2HE MET 27 HE2 MET 27 18.674 13.087 -15.485 211 3HE MET 27 HE3 MET 27 17.569 14.363 -14.927 212 H LEU 28 H LEU 28 18.809 13.220 -10.295 213 HA LEU 28 HA LEU 28 16.928 15.334 -9.604 214 1HB LEU 28 HB2 LEU 28 16.773 12.322 -9.272 215 2HB LEU 28 HB3 LEU 28 15.475 13.426 -8.829 216 HG LEU 28 HG LEU 28 16.604 13.128 -11.643 217 1HD1 LEU 28 HD11 LEU 28 15.340 11.139 -10.856 218 2HD1 LEU 28 HD12 LEU 28 13.949 12.187 -10.492 219 3HD1 LEU 28 HD13 LEU 28 14.512 11.989 -12.167 220 1HD2 LEU 28 HD21 LEU 28 15.721 15.381 -11.382 221 2HD2 LEU 28 HD22 LEU 28 14.587 14.428 -12.328 222 3HD2 LEU 28 HD23 LEU 28 14.244 14.754 -10.614 223 H PHE 29 H PHE 29 18.470 12.795 -7.542 224 HA PHE 29 HA PHE 29 17.303 14.043 -5.202 225 1HB PHE 29 HB2 PHE 29 19.186 11.700 -5.626 226 2HB PHE 29 HB3 PHE 29 18.745 12.302 -4.032 227 HD1 PHE 29 HD1 PHE 29 17.246 10.759 -7.110 228 HD2 PHE 29 HD2 PHE 29 16.763 11.752 -2.953 229 HE1 PHE 29 HE1 PHE 29 15.221 9.353 -7.003 230 HE2 PHE 29 HE2 PHE 29 14.713 10.369 -2.850 231 HZ PHE 29 HZ PHE 29 13.935 9.177 -4.883 232 H ASN 30 H ASN 30 20.507 14.378 -6.765 233 HA ASN 30 HA ASN 30 21.855 15.192 -4.425 234 1HB ASN 30 HB2 ASN 30 23.656 15.858 -5.710 235 2HB ASN 30 HB3 ASN 30 22.979 14.481 -6.551 236 1HD2 ASN 30 HD22 ASN 30 24.697 15.922 -8.001 237 2HD2 ASN 30 HD21 ASN 30 23.898 16.975 -9.137 238 H GLN 31 H GLN 31 19.383 16.860 -6.031 239 HA GLN 31 HA GLN 31 20.057 19.568 -5.554 240 1HB GLN 31 HB2 GLN 31 17.369 18.125 -5.501 241 2HB GLN 31 HB3 GLN 31 17.571 19.880 -5.507 242 1HG GLN 31 HG2 GLN 31 18.707 19.768 -7.703 243 2HG GLN 31 HG3 GLN 31 18.513 18.013 -7.729 244 1HE2 GLN 31 HE22 GLN 31 16.241 17.154 -7.624 245 2HE2 GLN 31 HE21 GLN 31 14.950 18.098 -8.355 246 H PHE 32 H PHE 32 18.993 16.939 -3.385 247 HA PHE 32 HA PHE 32 18.288 18.767 -1.225 248 1HB PHE 32 HB2 PHE 32 18.620 15.753 -1.214 249 2HB PHE 32 HB3 PHE 32 17.812 16.717 0.022 250 HD1 PHE 32 HD1 PHE 32 17.218 14.601 -2.675 251 HD2 PHE 32 HD2 PHE 32 15.875 18.381 -1.097 252 HE1 PHE 32 HE1 PHE 32 15.166 14.428 -4.028 253 HE2 PHE 32 HE2 PHE 32 13.815 18.207 -2.469 254 HZ PHE 32 HZ PHE 32 13.485 16.247 -3.976 255 HA PRO 33 HA PRO 33 22.432 19.217 0.059 256 1HB PRO 33 HB2 PRO 33 22.190 20.286 2.570 257 2HB PRO 33 HB3 PRO 33 21.563 21.089 1.107 258 1HG PRO 33 HG2 PRO 33 20.023 19.297 3.022 259 2HG PRO 33 HG3 PRO 33 19.605 20.963 2.492 260 1HD PRO 33 HD2 PRO 33 18.557 18.787 1.254 261 2HD PRO 33 HD3 PRO 33 19.045 20.233 0.318 262 H GLY 34 H GLY 34 21.331 16.390 0.614 263 1HA GLY 34 HA2 GLY 34 23.431 15.557 2.538 264 2HA GLY 34 HA3 GLY 34 21.750 15.156 2.914 265 H PHE 35 H PHE 35 21.987 15.031 -0.450 266 HA PHE 35 HA PHE 35 21.823 12.206 -0.674 267 1HB PHE 35 HB2 PHE 35 20.939 13.624 -2.384 268 2HB PHE 35 HB3 PHE 35 22.436 14.539 -2.498 269 HD1 PHE 35 HD1 PHE 35 24.401 13.682 -3.718 270 HD2 PHE 35 HD2 PHE 35 20.674 11.512 -3.644 271 HE1 PHE 35 HE1 PHE 35 25.151 12.295 -5.646 272 HE2 PHE 35 HE2 PHE 35 21.404 10.200 -5.608 273 HZ PHE 35 HZ PHE 35 23.662 10.551 -6.572 274 H LYS 36 H LYS 36 23.359 10.771 -1.400 275 HA LYS 36 HA LYS 36 26.205 11.653 -1.501 276 1HB LYS 36 HB2 LYS 36 25.284 9.124 -0.083 277 2HB LYS 36 HB3 LYS 36 26.955 9.621 -0.401 278 1HG LYS 36 HG2 LYS 36 26.441 11.743 0.956 279 2HG LYS 36 HG3 LYS 36 24.960 10.937 1.461 280 1HD LYS 36 HD2 LYS 36 27.838 10.187 2.079 281 2HD LYS 36 HD3 LYS 36 26.551 10.625 3.186 282 1HE LYS 36 HE2 LYS 36 26.516 8.383 3.566 283 2HE LYS 36 HE3 LYS 36 25.378 8.433 2.224 284 1HZ LYS 36 HZ1 LYS 36 28.230 7.624 2.173 285 2HZ LYS 36 HZ2 LYS 36 26.930 6.723 1.733 286 3HZ LYS 36 HZ3 LYS 36 27.426 7.942 0.786 287 H GLU 37 H GLU 37 23.892 8.901 -2.315 288 HA GLU 37 HA GLU 37 25.350 8.651 -4.860 289 1HB GLU 37 HB2 GLU 37 26.596 7.449 -2.788 290 2HB GLU 37 HB3 GLU 37 25.412 6.187 -3.102 291 1HG GLU 37 HG2 GLU 37 26.248 6.020 -5.445 292 2HG GLU 37 HG3 GLU 37 27.326 7.384 -5.165 293 H VAL 38 H VAL 38 24.629 6.674 -6.111 294 HA VAL 38 HA VAL 38 21.895 5.706 -5.546 295 HB VAL 38 HB VAL 38 22.994 6.636 -8.240 296 1HG1 VAL 38 HG11 VAL 38 20.233 5.533 -7.555 297 2HG1 VAL 38 HG12 VAL 38 20.721 6.203 -9.123 298 3HG1 VAL 38 HG13 VAL 38 21.462 4.730 -8.557 299 1HG2 VAL 38 HG21 VAL 38 20.778 7.886 -6.573 300 2HG2 VAL 38 HG22 VAL 38 22.397 8.567 -6.871 301 3HG2 VAL 38 HG23 VAL 38 21.290 8.377 -8.207 302 H ARG 39 H ARG 39 21.631 3.526 -6.276 303 HA ARG 39 HA ARG 39 23.897 2.236 -7.684 304 1HB ARG 39 HB2 ARG 39 22.487 0.924 -5.319 305 2HB ARG 39 HB3 ARG 39 23.641 0.183 -6.413 306 1HG ARG 39 HG2 ARG 39 25.063 0.661 -4.696 307 2HG ARG 39 HG3 ARG 39 25.244 2.153 -5.619 308 1HD ARG 39 HD2 ARG 39 23.402 3.136 -4.094 309 2HD ARG 39 HD3 ARG 39 23.530 1.648 -3.151 310 HE ARG 39 HE ARG 39 25.971 3.304 -3.653 311 1HH1 ARG 39 HH21 ARG 39 23.605 2.138 -1.236 312 2HH1 ARG 39 HH22 ARG 39 24.446 2.908 0.086 313 1HH2 ARG 39 HH11 ARG 39 27.011 4.182 -2.009 314 2HH2 ARG 39 HH12 ARG 39 26.389 4.199 -0.356 315 H LEU 40 H LEU 40 22.988 1.771 -9.593 316 HA LEU 40 HA LEU 40 20.088 1.345 -9.891 317 1HB LEU 40 HB2 LEU 40 22.354 2.041 -11.597 318 2HB LEU 40 HB3 LEU 40 21.629 0.612 -12.236 319 HG LEU 40 HG LEU 40 20.765 2.654 -13.247 320 1HD1 LEU 40 HD11 LEU 40 18.573 1.239 -11.673 321 2HD1 LEU 40 HD12 LEU 40 18.423 2.077 -13.221 322 3HD1 LEU 40 HD13 LEU 40 19.378 0.599 -13.136 323 1HD2 LEU 40 HD21 LEU 40 20.870 4.175 -11.307 324 2HD2 LEU 40 HD22 LEU 40 19.304 4.218 -12.120 325 3HD2 LEU 40 HD23 LEU 40 19.478 3.359 -10.579 326 H VAL 41 H VAL 41 19.481 -0.583 -11.271 327 HA VAL 41 HA VAL 41 21.024 -3.049 -10.637 328 HB VAL 41 HB VAL 41 17.998 -2.825 -10.699 329 1HG1 VAL 41 HG11 VAL 41 18.807 -4.991 -11.535 330 2HG1 VAL 41 HG12 VAL 41 19.899 -5.156 -10.138 331 3HG1 VAL 41 HG13 VAL 41 18.143 -5.208 -9.917 332 1HG2 VAL 41 HG21 VAL 41 18.806 -1.858 -8.603 333 2HG2 VAL 41 HG22 VAL 41 18.171 -3.472 -8.271 334 3HG2 VAL 41 HG23 VAL 41 19.925 -3.217 -8.361 335 HA PRO 42 HA PRO 42 20.755 -1.786 -14.979 336 1HB PRO 42 HB2 PRO 42 23.306 -2.370 -15.846 337 2HB PRO 42 HB3 PRO 42 22.925 -0.975 -14.799 338 1HG PRO 42 HG2 PRO 42 23.856 -3.734 -13.927 339 2HG PRO 42 HG3 PRO 42 24.570 -2.143 -13.494 340 1HD PRO 42 HD2 PRO 42 22.798 -3.377 -11.859 341 2HD PRO 42 HD3 PRO 42 22.742 -1.602 -12.097 342 H ASN 43 H ASN 43 19.853 -4.298 -13.959 343 HA ASN 43 HA ASN 43 19.753 -5.760 -16.462 344 1HB ASN 43 HB2 ASN 43 19.676 -7.925 -15.414 345 2HB ASN 43 HB3 ASN 43 21.160 -7.123 -14.928 346 1HD2 ASN 43 HD22 ASN 43 21.537 -6.870 -12.690 347 2HD2 ASN 43 HD21 ASN 43 20.368 -7.283 -11.465 348 H ARG 44 H ARG 44 18.097 -4.025 -14.008 349 HA ARG 44 HA ARG 44 15.573 -4.881 -15.324 350 1HB ARG 44 HB2 ARG 44 16.194 -4.760 -12.395 351 2HB ARG 44 HB3 ARG 44 14.694 -4.003 -12.899 352 1HG ARG 44 HG2 ARG 44 14.107 -6.137 -14.162 353 2HG ARG 44 HG3 ARG 44 15.538 -6.880 -13.435 354 1HD ARG 44 HD2 ARG 44 13.561 -7.500 -12.188 355 2HD ARG 44 HD3 ARG 44 14.574 -6.458 -11.174 356 HE ARG 44 HE ARG 44 12.827 -4.691 -12.411 357 1HH1 ARG 44 HH21 ARG 44 12.376 -7.555 -10.344 358 2HH1 ARG 44 HH22 ARG 44 10.883 -7.005 -9.682 359 1HH2 ARG 44 HH11 ARG 44 10.873 -3.964 -11.566 360 2HH2 ARG 44 HH12 ARG 44 9.998 -4.913 -10.401 361 H HIS 45 H HIS 45 17.390 -2.250 -13.792 362 HA HIS 45 HA HIS 45 17.364 -0.076 -13.931 363 1HB HIS 45 HB2 HIS 45 15.849 -0.314 -16.540 364 2HB HIS 45 HB3 HIS 45 16.786 1.060 -15.979 365 HD1 HIS 45 HD1 HIS 45 17.225 -2.232 -17.781 366 HD2 HIS 45 HD2 HIS 45 19.525 0.794 -15.974 367 HE1 HIS 45 HE1 HIS 45 19.615 -2.565 -18.595 368 H ASP 46 H ASP 46 14.153 -1.529 -14.072 369 HA ASP 46 HA ASP 46 12.755 0.955 -13.636 370 1HB ASP 46 HB2 ASP 46 10.793 -0.278 -13.645 371 2HB ASP 46 HB3 ASP 46 11.828 -1.113 -14.800 372 H ILE 47 H ILE 47 14.729 -0.818 -11.610 373 HA ILE 47 HA ILE 47 13.526 0.382 -9.206 374 HB ILE 47 HB ILE 47 14.137 -1.596 -7.940 375 1HG1 ILE 47 HG12 ILE 47 15.513 -2.411 -10.521 376 2HG1 ILE 47 HG13 ILE 47 16.152 -2.317 -8.877 377 1HG2 ILE 47 HG21 ILE 47 12.695 -2.623 -10.406 378 2HG2 ILE 47 HG22 ILE 47 12.506 -3.160 -8.724 379 3HG2 ILE 47 HG23 ILE 47 11.930 -1.561 -9.219 380 1HD1 ILE 47 HD11 ILE 47 15.974 -4.594 -9.589 381 2HD1 ILE 47 HD12 ILE 47 14.771 -4.306 -8.298 382 3HD1 ILE 47 HD13 ILE 47 14.282 -4.363 -10.030 383 H ALA 48 H ALA 48 15.193 0.724 -7.498 384 HA ALA 48 HA ALA 48 18.018 0.687 -8.157 385 1HB ALA 48 HB1 ALA 48 17.263 2.671 -9.533 386 2HB ALA 48 HB2 ALA 48 16.613 3.404 -8.049 387 3HB ALA 48 HB3 ALA 48 18.358 3.134 -8.223 388 H PHE 49 H PHE 49 19.237 2.036 -6.440 389 HA PHE 49 HA PHE 49 17.718 2.356 -3.925 390 1HB PHE 49 HB2 PHE 49 20.503 1.170 -4.255 391 2HB PHE 49 HB3 PHE 49 19.841 1.708 -2.726 392 HD1 PHE 49 HD1 PHE 49 19.421 -0.820 -5.453 393 HD2 PHE 49 HD2 PHE 49 18.414 0.322 -1.413 394 HE1 PHE 49 HE1 PHE 49 18.476 -3.082 -5.050 395 HE2 PHE 49 HE2 PHE 49 17.509 -1.956 -1.002 396 HZ PHE 49 HZ PHE 49 17.542 -3.659 -2.815 397 H VAL 50 H VAL 50 18.526 4.143 -2.654 398 HA VAL 50 HA VAL 50 20.561 5.912 -3.896 399 HB VAL 50 HB VAL 50 17.814 6.840 -2.949 400 1HG1 VAL 50 HG11 VAL 50 19.560 8.555 -2.629 401 2HG1 VAL 50 HG12 VAL 50 20.058 8.379 -4.322 402 3HG1 VAL 50 HG13 VAL 50 18.451 9.016 -3.922 403 1HG2 VAL 50 HG21 VAL 50 18.856 6.619 -5.799 404 2HG2 VAL 50 HG22 VAL 50 17.534 5.681 -5.083 405 3HG2 VAL 50 HG23 VAL 50 17.344 7.418 -5.307 406 H GLU 51 H GLU 51 21.666 7.206 -2.269 407 HA GLU 51 HA GLU 51 21.109 6.448 0.553 408 1HB GLU 51 HB2 GLU 51 22.733 4.862 -0.280 409 2HB GLU 51 HB3 GLU 51 23.749 6.157 -0.935 410 1HG GLU 51 HG2 GLU 51 24.228 6.997 1.290 411 2HG GLU 51 HG3 GLU 51 23.083 5.872 2.030 412 H PHE 52 H PHE 52 21.714 7.863 2.043 413 HA PHE 52 HA PHE 52 22.469 10.631 1.277 414 1HB PHE 52 HB2 PHE 52 20.100 9.469 2.769 415 2HB PHE 52 HB3 PHE 52 20.697 11.033 3.245 416 HD1 PHE 52 HD1 PHE 52 19.452 9.200 0.186 417 HD2 PHE 52 HD2 PHE 52 20.101 12.970 2.164 418 HE1 PHE 52 HE1 PHE 52 18.324 10.382 -1.679 419 HE2 PHE 52 HE2 PHE 52 18.940 14.145 0.325 420 HZ PHE 52 HZ PHE 52 18.119 12.865 -1.634 421 H THR 53 H THR 53 22.998 11.908 3.260 422 HA THR 53 HA THR 53 24.877 10.555 4.992 423 HB THR 53 HB THR 53 23.714 13.366 5.086 424 HG1 THR 53 HG1 THR 53 24.828 13.019 3.194 425 1HG2 THR 53 HG21 THR 53 26.199 12.214 6.423 426 2HG2 THR 53 HG22 THR 53 25.665 13.917 6.472 427 3HG2 THR 53 HG23 THR 53 24.697 12.655 7.252 428 H THR 54 H THR 54 21.595 12.066 5.557 429 HA THR 54 HA THR 54 21.497 10.428 8.048 430 HB THR 54 HB THR 54 20.341 12.195 9.180 431 HG1 THR 54 HG1 THR 54 20.866 13.818 6.927 432 1HG2 THR 54 HG21 THR 54 22.079 13.742 9.613 433 2HG2 THR 54 HG22 THR 54 22.883 12.212 9.220 434 3HG2 THR 54 HG23 THR 54 22.802 13.523 8.012 435 H GLU 55 H GLU 55 19.591 9.871 8.768 436 HA GLU 55 HA GLU 55 17.695 8.835 6.925 437 1HB GLU 55 HB2 GLU 55 17.126 9.338 9.872 438 2HB GLU 55 HB3 GLU 55 16.453 8.109 8.810 439 1HG GLU 55 HG2 GLU 55 17.906 6.791 9.931 440 2HG GLU 55 HG3 GLU 55 18.997 7.299 8.653 441 H LEU 56 H LEU 56 17.809 11.935 8.614 442 HA LEU 56 HA LEU 56 15.029 12.650 8.175 443 1HB LEU 56 HB2 LEU 56 17.545 14.159 8.969 444 2HB LEU 56 HB3 LEU 56 16.085 15.023 8.498 445 HG LEU 56 HG LEU 56 14.779 13.929 10.264 446 1HD1 LEU 56 HD11 LEU 56 15.952 12.721 12.112 447 2HD1 LEU 56 HD12 LEU 56 15.949 11.813 10.603 448 3HD1 LEU 56 HD13 LEU 56 17.425 12.667 11.119 449 1HD2 LEU 56 HD21 LEU 56 15.796 15.146 12.149 450 2HD2 LEU 56 HD22 LEU 56 17.333 15.266 11.262 451 3HD2 LEU 56 HD23 LEU 56 15.883 16.100 10.661 452 H GLN 57 H GLN 57 18.119 13.164 6.439 453 HA GLN 57 HA GLN 57 16.945 14.979 4.515 454 1HB GLN 57 HB2 GLN 57 19.565 13.442 4.560 455 2HB GLN 57 HB3 GLN 57 19.131 14.644 3.329 456 1HG GLN 57 HG2 GLN 57 19.060 16.434 4.892 457 2HG GLN 57 HG3 GLN 57 19.111 15.359 6.284 458 1HE2 GLN 57 HE22 GLN 57 21.012 17.592 5.032 459 2HE2 GLN 57 HE21 GLN 57 22.576 16.840 5.208 460 H SER 58 H SER 58 17.669 11.399 4.511 461 HA SER 58 HA SER 58 16.717 11.009 1.831 462 1HB SER 58 HB2 SER 58 16.337 8.641 2.654 463 2HB SER 58 HB3 SER 58 17.987 9.245 2.798 464 HG SER 58 HG SER 58 16.832 8.157 4.693 465 H ASN 59 H ASN 59 15.067 10.946 5.060 466 HA ASN 59 HA ASN 59 12.504 10.288 4.155 467 1HB ASN 59 HB2 ASN 59 12.642 10.361 6.477 468 2HB ASN 59 HB3 ASN 59 13.556 11.857 6.486 469 1HD2 ASN 59 HD22 ASN 59 10.218 10.913 5.290 470 2HD2 ASN 59 HD21 ASN 59 9.472 12.302 6.024 471 H ALA 60 H ALA 60 13.878 13.598 4.369 472 HA ALA 60 HA ALA 60 11.492 14.740 3.280 473 1HB ALA 60 HB1 ALA 60 12.783 16.789 3.053 474 2HB ALA 60 HB2 ALA 60 13.040 16.021 4.632 475 3HB ALA 60 HB3 ALA 60 14.296 15.896 3.365 476 H ALA 61 H ALA 61 14.486 13.591 1.701 477 HA ALA 61 HA ALA 61 13.810 14.517 -0.924 478 1HB ALA 61 HB1 ALA 61 15.394 12.854 -1.691 479 2HB ALA 61 HB2 ALA 61 16.061 13.713 -0.285 480 3HB ALA 61 HB3 ALA 61 15.422 12.058 -0.105 481 H LYS 62 H LYS 62 13.082 11.479 0.815 482 HA LYS 62 HA LYS 62 11.662 10.138 -1.233 483 1HB LYS 62 HB2 LYS 62 12.470 8.979 0.680 484 2HB LYS 62 HB3 LYS 62 11.644 10.018 1.808 485 1HG LYS 62 HG2 LYS 62 10.166 8.129 -0.051 486 2HG LYS 62 HG3 LYS 62 10.781 7.684 1.539 487 1HD LYS 62 HD2 LYS 62 9.386 9.696 2.455 488 2HD LYS 62 HD3 LYS 62 8.558 9.638 0.889 489 1HE LYS 62 HE2 LYS 62 8.217 7.122 1.315 490 2HE LYS 62 HE3 LYS 62 8.773 7.412 2.964 491 1HZ LYS 62 HZ1 LYS 62 6.899 8.969 3.220 492 2HZ LYS 62 HZ2 LYS 62 6.401 8.644 1.678 493 3HZ LYS 62 HZ3 LYS 62 6.381 7.463 2.821 494 H GLU 63 H GLU 63 10.412 12.289 1.424 495 HA GLU 63 HA GLU 63 7.758 12.058 0.481 496 1HB GLU 63 HB2 GLU 63 7.161 13.375 2.198 497 2HB GLU 63 HB3 GLU 63 8.780 12.951 2.757 498 1HG GLU 63 HG2 GLU 63 9.633 15.099 1.981 499 2HG GLU 63 HG3 GLU 63 8.041 15.545 1.362 500 H ALA 64 H ALA 64 10.325 14.297 -0.430 501 HA ALA 64 HA ALA 64 8.741 16.066 -2.007 502 1HB ALA 64 HB1 ALA 64 11.696 15.354 -2.224 503 2HB ALA 64 HB2 ALA 64 10.911 16.759 -2.966 504 3HB ALA 64 HB3 ALA 64 10.998 16.629 -1.198 505 H LEU 65 H LEU 65 10.597 13.087 -2.941 506 HA LEU 65 HA LEU 65 9.660 13.506 -5.733 507 1HB LEU 65 HB2 LEU 65 11.970 11.883 -4.628 508 2HB LEU 65 HB3 LEU 65 11.498 11.937 -6.324 509 HG LEU 65 HG LEU 65 12.568 14.244 -4.676 510 1HD1 LEU 65 HD11 LEU 65 13.672 12.740 -7.092 511 2HD1 LEU 65 HD12 LEU 65 14.448 14.124 -6.294 512 3HD1 LEU 65 HD13 LEU 65 14.241 12.596 -5.421 513 1HD2 LEU 65 HD21 LEU 65 10.941 15.202 -6.236 514 2HD2 LEU 65 HD22 LEU 65 12.569 15.540 -6.814 515 3HD2 LEU 65 HD23 LEU 65 11.620 14.247 -7.576 516 H GLN 66 H GLN 66 8.613 11.528 -3.163 517 HA GLN 66 HA GLN 66 7.991 9.182 -4.652 518 1HB GLN 66 HB2 GLN 66 6.674 10.587 -2.311 519 2HB GLN 66 HB3 GLN 66 5.770 9.338 -3.175 520 1HG GLN 66 HG2 GLN 66 7.659 7.746 -2.860 521 2HG GLN 66 HG3 GLN 66 8.466 8.932 -1.836 522 1HE2 GLN 66 HE22 GLN 66 7.234 6.137 -1.266 523 2HE2 GLN 66 HE21 GLN 66 6.071 6.419 0.001 524 H GLY 67 H GLY 67 6.775 8.853 -6.378 525 1HA GLY 67 HA2 GLY 67 5.008 9.003 -7.841 526 2HA GLY 67 HA3 GLY 67 4.408 10.452 -7.029 527 H PHE 68 H PHE 68 7.766 10.829 -7.734 528 HA PHE 68 HA PHE 68 7.161 12.975 -9.566 529 1HB PHE 68 HB2 PHE 68 9.017 13.080 -7.966 530 2HB PHE 68 HB3 PHE 68 9.792 11.689 -8.719 531 HD1 PHE 68 HD1 PHE 68 8.963 15.288 -9.108 532 HD2 PHE 68 HD2 PHE 68 11.040 11.905 -10.802 533 HE1 PHE 68 HE1 PHE 68 10.204 16.806 -10.630 534 HE2 PHE 68 HE2 PHE 68 12.272 13.429 -12.323 535 HZ PHE 68 HZ PHE 68 11.862 15.880 -12.237 536 H LYS 69 H LYS 69 6.837 12.775 -11.732 537 HA LYS 69 HA LYS 69 7.371 10.328 -13.208 538 1HB LYS 69 HB2 LYS 69 6.367 13.074 -13.904 539 2HB LYS 69 HB3 LYS 69 7.255 12.221 -15.164 540 1HG LYS 69 HG2 LYS 69 4.983 11.715 -15.498 541 2HG LYS 69 HG3 LYS 69 5.805 10.264 -14.948 542 1HD LYS 69 HD2 LYS 69 4.937 10.743 -12.605 543 2HD LYS 69 HD3 LYS 69 3.924 12.008 -13.306 544 1HE LYS 69 HE2 LYS 69 3.953 9.076 -14.186 545 2HE LYS 69 HE3 LYS 69 2.828 9.735 -12.984 546 1HZ LYS 69 HZ1 LYS 69 2.040 11.278 -14.762 547 2HZ LYS 69 HZ2 LYS 69 2.932 10.423 -15.858 548 3HZ LYS 69 HZ3 LYS 69 1.717 9.709 -15.048 549 H ILE 70 H ILE 70 9.382 9.602 -13.392 550 HA ILE 70 HA ILE 70 11.710 11.386 -13.760 551 HB ILE 70 HB ILE 70 11.366 8.399 -14.143 552 1HG1 ILE 70 HG12 ILE 70 12.838 9.865 -11.910 553 2HG1 ILE 70 HG13 ILE 70 11.151 9.390 -11.766 554 1HG2 ILE 70 HG21 ILE 70 13.219 9.317 -15.521 555 2HG2 ILE 70 HG22 ILE 70 13.866 10.161 -14.102 556 3HG2 ILE 70 HG23 ILE 70 13.880 8.389 -14.173 557 1HD1 ILE 70 HD11 ILE 70 11.707 7.036 -12.079 558 2HD1 ILE 70 HD12 ILE 70 13.436 7.435 -12.240 559 3HD1 ILE 70 HD13 ILE 70 12.591 7.739 -10.721 560 H THR 71 H THR 71 9.493 9.274 -15.702 561 HA THR 71 HA THR 71 9.723 11.139 -17.945 562 HB THR 71 HB THR 71 9.543 9.133 -19.492 563 HG1 THR 71 HG1 THR 71 10.178 7.149 -18.705 564 1HG2 THR 71 HG21 THR 71 11.722 10.330 -19.183 565 2HG2 THR 71 HG22 THR 71 12.144 9.177 -17.898 566 3HG2 THR 71 HG23 THR 71 11.922 8.612 -19.567 567 HA PRO 72 HA PRO 72 5.551 11.582 -17.779 568 1HB PRO 72 HB2 PRO 72 5.124 10.148 -20.411 569 2HB PRO 72 HB3 PRO 72 4.372 11.671 -19.828 570 1HG PRO 72 HG2 PRO 72 6.509 11.796 -21.469 571 2HG PRO 72 HG3 PRO 72 6.451 12.854 -20.020 572 1HD PRO 72 HD2 PRO 72 7.960 10.276 -20.418 573 2HD PRO 72 HD3 PRO 72 8.486 11.783 -19.609 574 H THR 73 H THR 73 6.284 8.156 -18.320 575 HA THR 73 HA THR 73 3.715 7.411 -17.036 576 HB THR 73 HB THR 73 4.084 5.273 -18.456 577 HG1 THR 73 HG1 THR 73 5.457 5.481 -20.179 578 1HG2 THR 73 HG21 THR 73 3.082 6.262 -20.455 579 2HG2 THR 73 HG22 THR 73 2.383 7.004 -19.008 580 3HG2 THR 73 HG23 THR 73 3.595 7.889 -19.959 581 H HIS 74 H HIS 74 6.691 7.871 -16.024 582 HA HIS 74 HA HIS 74 6.790 5.368 -14.410 583 1HB HIS 74 HB2 HIS 74 9.108 6.761 -15.782 584 2HB HIS 74 HB3 HIS 74 9.262 5.519 -14.546 585 HD1 HIS 74 HD1 HIS 74 8.978 2.995 -15.343 586 HD2 HIS 74 HD2 HIS 74 8.026 5.927 -18.210 587 HE1 HIS 74 HE1 HIS 74 8.547 1.753 -17.517 588 H ALA 75 H ALA 75 5.492 6.671 -13.057 589 HA ALA 75 HA ALA 75 6.579 8.910 -11.564 590 1HB ALA 75 HB1 ALA 75 4.352 6.917 -10.911 591 2HB ALA 75 HB2 ALA 75 4.722 8.395 -10.006 592 3HB ALA 75 HB3 ALA 75 4.144 8.508 -11.670 593 H MET 76 H MET 76 8.464 8.570 -10.556 594 HA MET 76 HA MET 76 9.681 6.312 -9.569 595 1HB MET 76 HB2 MET 76 10.592 8.636 -9.780 596 2HB MET 76 HB3 MET 76 9.640 9.129 -8.387 597 1HG MET 76 HG2 MET 76 10.882 7.345 -7.054 598 2HG MET 76 HG3 MET 76 11.941 7.155 -8.450 599 1HE MET 76 HE1 MET 76 13.547 9.203 -9.375 600 2HE MET 76 HE2 MET 76 12.147 10.298 -9.466 601 3HE MET 76 HE3 MET 76 13.610 10.791 -8.589 602 H LYS 77 H LYS 77 8.973 4.807 -8.112 603 HA LYS 77 HA LYS 77 7.323 5.703 -5.777 604 1HB LYS 77 HB2 LYS 77 8.075 3.010 -6.923 605 2HB LYS 77 HB3 LYS 77 7.371 3.199 -5.310 606 1HG LYS 77 HG2 LYS 77 5.349 4.247 -6.377 607 2HG LYS 77 HG3 LYS 77 6.082 3.964 -7.963 608 1HD LYS 77 HD2 LYS 77 4.599 2.135 -7.638 609 2HD LYS 77 HD3 LYS 77 6.219 1.486 -7.347 610 1HE LYS 77 HE2 LYS 77 5.770 1.962 -4.833 611 2HE LYS 77 HE3 LYS 77 4.093 2.262 -5.302 612 1HZ LYS 77 HZ1 LYS 77 4.162 -0.060 -6.264 613 2HZ LYS 77 HZ2 LYS 77 5.613 -0.264 -5.496 614 3HZ LYS 77 HZ3 LYS 77 4.260 0.021 -4.638 615 H ILE 78 H ILE 78 8.260 5.464 -3.719 616 HA ILE 78 HA ILE 78 11.134 4.774 -3.533 617 HB ILE 78 HB ILE 78 9.936 7.244 -2.240 618 1HG1 ILE 78 HG12 ILE 78 11.614 7.257 -4.778 619 2HG1 ILE 78 HG13 ILE 78 9.907 7.673 -4.669 620 1HG2 ILE 78 HG21 ILE 78 12.853 6.500 -2.635 621 2HG2 ILE 78 HG22 ILE 78 12.216 7.857 -1.695 622 3HG2 ILE 78 HG23 ILE 78 11.944 6.231 -1.134 623 1HD1 ILE 78 HD11 ILE 78 10.484 9.537 -3.123 624 2HD1 ILE 78 HD12 ILE 78 12.204 9.220 -3.435 625 3HD1 ILE 78 HD13 ILE 78 11.142 9.691 -4.760 626 H THR 79 H THR 79 11.598 3.845 -1.575 627 HA THR 79 HA THR 79 9.723 3.891 0.681 628 HB THR 79 HB THR 79 10.435 1.266 0.725 629 HG1 THR 79 HG1 THR 79 11.298 1.698 -1.561 630 1HG2 THR 79 HG21 THR 79 8.209 0.705 -0.084 631 2HG2 THR 79 HG22 THR 79 8.115 2.176 0.891 632 3HG2 THR 79 HG23 THR 79 8.052 2.287 -0.882 633 H PHE 80 H PHE 80 10.957 3.171 2.681 634 HA PHE 80 HA PHE 80 13.784 3.951 2.524 635 1HB PHE 80 HB2 PHE 80 12.083 2.872 4.797 636 2HB PHE 80 HB3 PHE 80 13.772 3.331 4.945 637 HD1 PHE 80 HD1 PHE 80 10.371 4.539 5.017 638 HD2 PHE 80 HD2 PHE 80 14.451 5.755 4.347 639 HE1 PHE 80 HE1 PHE 80 9.730 6.895 5.416 640 HE2 PHE 80 HE2 PHE 80 13.807 8.123 4.717 641 HZ PHE 80 HZ PHE 80 11.431 8.688 5.262 642 H ALA 81 H ALA 81 15.484 2.540 2.411 643 HA ALA 81 HA ALA 81 14.952 -0.325 1.884 644 1HB ALA 81 HB1 ALA 81 17.405 -0.457 1.617 645 2HB ALA 81 HB2 ALA 81 16.742 0.835 0.603 646 3HB ALA 81 HB3 ALA 81 17.567 1.232 2.128 647 H LYS 82 H LYS 82 16.150 -1.928 3.338 648 HA LYS 82 HA LYS 82 16.142 -0.986 6.181 649 1HB LYS 82 HB2 LYS 82 15.243 -3.701 5.143 650 2HB LYS 82 HB3 LYS 82 15.352 -3.192 6.823 651 1HG LYS 82 HG2 LYS 82 13.185 -2.617 6.656 652 2HG LYS 82 HG3 LYS 82 13.767 -1.178 5.833 653 1HD LYS 82 HD2 LYS 82 11.980 -2.101 4.515 654 2HD LYS 82 HD3 LYS 82 13.475 -2.424 3.627 655 1HE LYS 82 HE2 LYS 82 13.507 -4.745 4.579 656 2HE LYS 82 HE3 LYS 82 12.010 -4.401 5.450 657 1HZ LYS 82 HZ1 LYS 82 10.866 -4.188 3.338 658 2HZ LYS 82 HZ2 LYS 82 12.268 -4.386 2.496 659 3HZ LYS 82 HZ3 LYS 82 11.652 -5.609 3.376 660 H LYS 83 H LYS 83 18.130 -1.070 6.996 661 HA LYS 83 HA LYS 83 20.343 -2.273 5.596 662 1HB LYS 83 HB2 LYS 83 20.194 -1.204 8.451 663 2HB LYS 83 HB3 LYS 83 21.667 -1.620 7.563 664 1HG LYS 83 HG2 LYS 83 21.005 0.071 5.798 665 2HG LYS 83 HG3 LYS 83 19.692 0.594 6.848 666 1HD LYS 83 HD2 LYS 83 22.675 0.738 7.430 667 2HD LYS 83 HD3 LYS 83 21.631 2.089 7.016 668 1HE LYS 83 HE2 LYS 83 21.521 0.429 9.578 669 2HE LYS 83 HE3 LYS 83 22.164 2.060 9.400 670 1HZ LYS 83 HZ1 LYS 83 19.334 1.252 9.210 671 2HZ LYS 83 HZ2 LYS 83 20.014 2.289 10.263 672 3HZ LYS 83 HZ3 LYS 83 19.846 2.714 8.685 Start of MODEL 7 1 1H ALA 1 H1 ALA 1 11.385 -6.993 -0.989 2 2H ALA 1 H2 ALA 1 10.862 -7.508 0.469 3 3H ALA 1 H3 ALA 1 10.479 -8.358 -0.884 4 HA ALA 1 HA ALA 1 9.159 -6.555 -1.720 5 1HB ALA 1 HB1 ALA 1 7.988 -8.243 -0.349 6 2HB ALA 1 HB2 ALA 1 8.381 -7.337 1.131 7 3HB ALA 1 HB3 ALA 1 7.306 -6.628 -0.091 8 H GLN 2 H GLN 2 8.973 -4.367 -1.863 9 HA GLN 2 HA GLN 2 10.463 -2.667 -0.066 10 1HB GLN 2 HB2 GLN 2 9.842 -0.900 -1.410 11 2HB GLN 2 HB3 GLN 2 10.060 -2.237 -2.522 12 1HG GLN 2 HG2 GLN 2 7.548 -2.513 -2.586 13 2HG GLN 2 HG3 GLN 2 7.405 -1.065 -1.580 14 1HE2 GLN 2 HE22 GLN 2 9.321 0.708 -2.725 15 2HE2 GLN 2 HE21 GLN 2 8.911 0.954 -4.414 16 H THR 3 H THR 3 9.544 -1.066 1.448 17 HA THR 3 HA THR 3 6.686 -1.060 1.949 18 HB THR 3 HB THR 3 8.348 -1.696 4.384 19 HG1 THR 3 HG1 THR 3 7.489 -3.652 2.550 20 1HG2 THR 3 HG21 THR 3 5.514 -2.479 3.581 21 2HG2 THR 3 HG22 THR 3 6.286 -2.794 5.152 22 3HG2 THR 3 HG23 THR 3 5.959 -1.131 4.648 23 H GLU 4 H GLU 4 6.122 0.813 3.245 24 HA GLU 4 HA GLU 4 8.270 2.826 3.562 25 1HB GLU 4 HB2 GLU 4 5.268 2.927 4.119 26 2HB GLU 4 HB3 GLU 4 6.409 4.252 4.420 27 1HG GLU 4 HG2 GLU 4 7.080 4.143 1.982 28 2HG GLU 4 HG3 GLU 4 5.764 3.000 1.712 29 H GLN 5 H GLN 5 8.873 3.520 5.749 30 HA GLN 5 HA GLN 5 8.293 1.685 7.986 31 1HB GLN 5 HB2 GLN 5 11.000 2.039 6.594 32 2HB GLN 5 HB3 GLN 5 10.834 1.296 8.165 33 1HG GLN 5 HG2 GLN 5 9.625 0.151 5.617 34 2HG GLN 5 HG3 GLN 5 11.168 -0.297 6.309 35 1HE2 GLN 5 HE22 GLN 5 7.635 -0.380 6.897 36 2HE2 GLN 5 HE21 GLN 5 7.699 -1.691 8.064 37 HA PRO 6 HA PRO 6 9.993 5.317 10.361 38 1HB PRO 6 HB2 PRO 6 11.924 3.213 11.366 39 2HB PRO 6 HB3 PRO 6 11.132 4.537 12.278 40 1HG PRO 6 HG2 PRO 6 10.165 2.015 12.456 41 2HG PRO 6 HG3 PRO 6 9.027 3.388 12.257 42 1HD PRO 6 HD2 PRO 6 10.048 1.469 10.159 43 2HD PRO 6 HD3 PRO 6 8.382 2.070 10.414 44 HA PRO 7 HA PRO 7 12.879 6.226 7.308 45 1HB PRO 7 HB2 PRO 7 14.334 8.365 8.240 46 2HB PRO 7 HB3 PRO 7 12.597 8.436 7.845 47 1HG PRO 7 HG2 PRO 7 13.841 7.992 10.575 48 2HG PRO 7 HG3 PRO 7 12.568 9.172 10.116 49 1HD PRO 7 HD2 PRO 7 11.933 6.764 11.211 50 2HD PRO 7 HD3 PRO 7 10.937 7.460 9.896 51 H ASN 8 H ASN 8 14.996 6.091 6.482 52 HA ASN 8 HA ASN 8 17.189 5.047 8.153 53 1HB ASN 8 HB2 ASN 8 16.001 2.975 7.432 54 2HB ASN 8 HB3 ASN 8 15.942 3.567 5.777 55 1HD2 ASN 8 HD22 ASN 8 17.223 2.032 4.756 56 2HD2 ASN 8 HD21 ASN 8 18.932 1.845 5.103 57 H GLN 9 H GLN 9 19.234 5.434 7.057 58 HA GLN 9 HA GLN 9 19.120 7.721 5.338 59 1HB GLN 9 HB2 GLN 9 21.432 7.950 5.624 60 2HB GLN 9 HB3 GLN 9 20.744 7.505 7.172 61 1HG GLN 9 HG2 GLN 9 21.544 5.183 6.905 62 2HG GLN 9 HG3 GLN 9 22.175 5.565 5.297 63 1HE2 GLN 9 HE22 GLN 9 23.701 7.635 5.280 64 2HE2 GLN 9 HE21 GLN 9 24.899 7.639 6.557 65 H ILE 10 H ILE 10 18.337 4.903 4.225 66 HA ILE 10 HA ILE 10 19.701 5.174 1.648 67 HB ILE 10 HB ILE 10 19.458 2.461 3.002 68 1HG1 ILE 10 HG12 ILE 10 21.986 4.128 2.757 69 2HG1 ILE 10 HG13 ILE 10 21.151 3.685 4.251 70 1HG2 ILE 10 HG21 ILE 10 21.002 3.287 0.503 71 2HG2 ILE 10 HG22 ILE 10 20.772 1.633 1.112 72 3HG2 ILE 10 HG23 ILE 10 19.403 2.520 0.478 73 1HD1 ILE 10 HD11 ILE 10 21.593 1.268 3.757 74 2HD1 ILE 10 HD12 ILE 10 22.635 1.794 2.410 75 3HD1 ILE 10 HD13 ILE 10 23.032 2.259 4.069 76 H LEU 11 H LEU 11 18.284 4.629 0.014 77 HA LEU 11 HA LEU 11 15.450 4.059 0.778 78 1HB LEU 11 HB2 LEU 11 16.501 5.873 -1.422 79 2HB LEU 11 HB3 LEU 11 14.810 5.557 -1.054 80 HG LEU 11 HG LEU 11 16.773 7.014 0.775 81 1HD1 LEU 11 HD11 LEU 11 14.454 8.088 -0.871 82 2HD1 LEU 11 HD12 LEU 11 15.485 9.018 0.232 83 3HD1 LEU 11 HD13 LEU 11 16.178 8.309 -1.232 84 1HD2 LEU 11 HD21 LEU 11 13.801 6.399 1.083 85 2HD2 LEU 11 HD22 LEU 11 15.142 5.890 2.137 86 3HD2 LEU 11 HD23 LEU 11 14.678 7.592 2.063 87 H PHE 12 H PHE 12 14.288 2.866 -0.780 88 HA PHE 12 HA PHE 12 15.817 1.570 -2.970 89 1HB PHE 12 HB2 PHE 12 15.529 -0.152 -1.262 90 2HB PHE 12 HB3 PHE 12 13.824 0.261 -1.078 91 HD1 PHE 12 HD1 PHE 12 16.293 -0.845 -3.699 92 HD2 PHE 12 HD2 PHE 12 12.187 -0.868 -2.403 93 HE1 PHE 12 HE1 PHE 12 15.743 -2.457 -5.496 94 HE2 PHE 12 HE2 PHE 12 11.647 -2.518 -4.183 95 HZ PHE 12 HZ PHE 12 13.414 -3.308 -5.734 96 H LEU 13 H LEU 13 14.662 1.611 -4.872 97 HA LEU 13 HA LEU 13 12.084 3.107 -4.832 98 1HB LEU 13 HB2 LEU 13 14.591 3.581 -6.492 99 2HB LEU 13 HB3 LEU 13 12.990 4.136 -6.954 100 HG LEU 13 HG LEU 13 12.821 5.518 -4.924 101 1HD1 LEU 13 HD11 LEU 13 15.648 4.533 -4.436 102 2HD1 LEU 13 HD12 LEU 13 15.094 6.118 -3.838 103 3HD1 LEU 13 HD13 LEU 13 14.281 4.655 -3.306 104 1HD2 LEU 13 HD21 LEU 13 14.439 7.216 -5.780 105 2HD2 LEU 13 HD22 LEU 13 15.190 5.960 -6.776 106 3HD2 LEU 13 HD23 LEU 13 13.504 6.454 -7.063 107 H THR 14 H THR 14 10.792 2.764 -6.654 108 HA THR 14 HA THR 14 11.458 0.588 -8.537 109 HB THR 14 HB THR 14 9.261 -0.510 -8.067 110 HG1 THR 14 HG1 THR 14 8.282 -0.067 -6.083 111 1HG2 THR 14 HG21 THR 14 9.916 -1.758 -6.122 112 2HG2 THR 14 HG22 THR 14 11.408 -1.349 -6.982 113 3HG2 THR 14 HG23 THR 14 10.945 -0.442 -5.529 114 H ASN 15 H ASN 15 9.462 0.363 -10.086 115 HA ASN 15 HA ASN 15 8.368 1.192 -11.798 116 1HB ASN 15 HB2 ASN 15 6.746 1.684 -9.917 117 2HB ASN 15 HB3 ASN 15 7.328 3.352 -9.947 118 1HD2 ASN 15 HD22 ASN 15 5.796 4.605 -10.978 119 2HD2 ASN 15 HD21 ASN 15 4.842 4.091 -12.363 120 H LEU 16 H LEU 16 11.061 2.150 -11.461 121 HA LEU 16 HA LEU 16 11.237 4.903 -12.454 122 1HB LEU 16 HB2 LEU 16 13.354 2.736 -12.550 123 2HB LEU 16 HB3 LEU 16 13.596 4.464 -12.568 124 HG LEU 16 HG LEU 16 12.634 2.855 -10.170 125 1HD1 LEU 16 HD11 LEU 16 15.306 4.178 -10.716 126 2HD1 LEU 16 HD12 LEU 16 14.804 3.308 -9.243 127 3HD1 LEU 16 HD13 LEU 16 14.979 2.442 -10.785 128 1HD2 LEU 16 HD21 LEU 16 11.763 5.195 -10.212 129 2HD2 LEU 16 HD22 LEU 16 12.937 4.943 -8.923 130 3HD2 LEU 16 HD23 LEU 16 13.441 5.783 -10.388 131 HA PRO 17 HA PRO 17 11.027 4.058 -16.891 132 1HB PRO 17 HB2 PRO 17 13.848 5.020 -17.127 133 2HB PRO 17 HB3 PRO 17 12.407 5.471 -18.078 134 1HG PRO 17 HG2 PRO 17 13.473 7.024 -16.079 135 2HG PRO 17 HG3 PRO 17 11.727 7.015 -16.457 136 1HD PRO 17 HD2 PRO 17 13.103 5.864 -14.119 137 2HD PRO 17 HD3 PRO 17 11.401 6.316 -14.316 138 H GLU 18 H GLU 18 11.705 2.341 -18.313 139 HA GLU 18 HA GLU 18 13.394 0.235 -17.253 140 1HB GLU 18 HB2 GLU 18 12.181 0.690 -20.016 141 2HB GLU 18 HB3 GLU 18 13.027 -0.782 -19.516 142 1HG GLU 18 HG2 GLU 18 11.366 -1.110 -17.686 143 2HG GLU 18 HG3 GLU 18 10.470 0.299 -18.259 144 H GLU 19 H GLU 19 14.288 3.187 -18.321 145 HA GLU 19 HA GLU 19 16.806 2.292 -19.476 146 1HB GLU 19 HB2 GLU 19 15.212 4.751 -20.314 147 2HB GLU 19 HB3 GLU 19 16.695 4.143 -21.063 148 1HG GLU 19 HG2 GLU 19 15.416 2.041 -21.686 149 2HG GLU 19 HG3 GLU 19 13.944 2.831 -21.100 150 H THR 20 H THR 20 15.800 3.300 -16.678 151 HA THR 20 HA THR 20 16.927 5.858 -16.134 152 HB THR 20 HB THR 20 16.716 3.539 -14.188 153 HG1 THR 20 HG1 THR 20 14.710 3.594 -14.959 154 1HG2 THR 20 HG21 THR 20 16.105 5.382 -12.612 155 2HG2 THR 20 HG22 THR 20 17.732 5.622 -13.263 156 3HG2 THR 20 HG23 THR 20 16.366 6.571 -13.899 157 H ASN 21 H ASN 21 18.918 6.425 -15.258 158 HA ASN 21 HA ASN 21 21.079 4.421 -15.250 159 1HB ASN 21 HB2 ASN 21 21.244 5.577 -17.437 160 2HB ASN 21 HB3 ASN 21 21.157 7.148 -16.639 161 1HD2 ASN 21 HD22 ASN 21 23.233 4.260 -17.115 162 2HD2 ASN 21 HD21 ASN 21 24.696 5.037 -16.576 163 H GLU 22 H GLU 22 22.817 5.124 -13.817 164 HA GLU 22 HA GLU 22 22.078 6.094 -11.337 165 1HB GLU 22 HB2 GLU 22 24.135 4.794 -12.099 166 2HB GLU 22 HB3 GLU 22 24.827 6.330 -12.628 167 1HG GLU 22 HG2 GLU 22 24.591 7.162 -10.252 168 2HG GLU 22 HG3 GLU 22 24.025 5.546 -9.800 169 H MET 23 H MET 23 23.328 7.964 -14.101 170 HA MET 23 HA MET 23 23.742 10.406 -12.707 171 1HB MET 23 HB2 MET 23 23.093 9.872 -15.635 172 2HB MET 23 HB3 MET 23 23.593 11.442 -14.990 173 1HG MET 23 HG2 MET 23 25.714 10.468 -14.191 174 2HG MET 23 HG3 MET 23 25.252 8.896 -14.847 175 1HE MET 23 HE1 MET 23 28.172 9.954 -17.208 176 2HE MET 23 HE2 MET 23 28.027 10.263 -15.464 177 3HE MET 23 HE3 MET 23 27.522 8.695 -16.136 178 H MET 24 H MET 24 20.772 9.029 -14.106 179 HA MET 24 HA MET 24 19.289 11.481 -14.250 180 1HB MET 24 HB2 MET 24 18.235 8.613 -13.876 181 2HB MET 24 HB3 MET 24 17.262 10.037 -14.250 182 1HG MET 24 HG2 MET 24 18.632 10.352 -16.321 183 2HG MET 24 HG3 MET 24 19.446 8.820 -15.945 184 1HE MET 24 HE1 MET 24 18.889 7.684 -18.224 185 2HE MET 24 HE2 MET 24 17.285 7.732 -18.984 186 3HE MET 24 HE3 MET 24 18.199 9.238 -18.752 187 H LEU 25 H LEU 25 19.317 8.889 -11.803 188 HA LEU 25 HA LEU 25 17.637 10.423 -10.022 189 1HB LEU 25 HB2 LEU 25 19.414 8.053 -9.360 190 2HB LEU 25 HB3 LEU 25 18.158 8.730 -8.335 191 HG LEU 25 HG LEU 25 17.869 7.139 -10.900 192 1HD1 LEU 25 HD11 LEU 25 16.404 5.773 -9.411 193 2HD1 LEU 25 HD12 LEU 25 18.060 5.908 -8.800 194 3HD1 LEU 25 HD13 LEU 25 16.772 6.885 -8.072 195 1HD2 LEU 25 HD21 LEU 25 15.751 8.892 -9.594 196 2HD2 LEU 25 HD22 LEU 25 16.319 8.922 -11.288 197 3HD2 LEU 25 HD23 LEU 25 15.389 7.543 -10.704 198 H SER 26 H SER 26 21.201 10.072 -10.416 199 HA SER 26 HA SER 26 21.879 11.322 -7.966 200 1HB SER 26 HB2 SER 26 23.365 11.435 -10.624 201 2HB SER 26 HB3 SER 26 24.028 11.865 -9.037 202 HG SER 26 HG SER 26 23.151 9.332 -9.965 203 H MET 27 H MET 27 21.196 12.779 -11.199 204 HA MET 27 HA MET 27 21.553 15.490 -10.351 205 1HB MET 27 HB2 MET 27 19.782 14.275 -12.520 206 2HB MET 27 HB3 MET 27 19.993 16.009 -12.292 207 1HG MET 27 HG2 MET 27 22.223 14.038 -12.818 208 2HG MET 27 HG3 MET 27 21.452 15.020 -14.055 209 1HE MET 27 HE1 MET 27 21.190 17.937 -12.666 210 2HE MET 27 HE2 MET 27 22.714 18.638 -13.242 211 3HE MET 27 HE3 MET 27 21.749 17.610 -14.323 212 H LEU 28 H LEU 28 18.673 13.357 -10.404 213 HA LEU 28 HA LEU 28 16.887 15.417 -9.537 214 1HB LEU 28 HB2 LEU 28 16.665 12.396 -9.312 215 2HB LEU 28 HB3 LEU 28 15.371 13.491 -8.837 216 HG LEU 28 HG LEU 28 16.547 13.370 -11.640 217 1HD1 LEU 28 HD11 LEU 28 14.494 12.207 -12.280 218 2HD1 LEU 28 HD12 LEU 28 15.332 11.292 -11.021 219 3HD1 LEU 28 HD13 LEU 28 13.904 12.269 -10.606 220 1HD2 LEU 28 HD21 LEU 28 14.115 14.843 -10.545 221 2HD2 LEU 28 HD22 LEU 28 15.584 15.573 -11.235 222 3HD2 LEU 28 HD23 LEU 28 14.500 14.655 -12.271 223 H PHE 29 H PHE 29 18.514 12.901 -7.574 224 HA PHE 29 HA PHE 29 17.285 14.018 -5.161 225 1HB PHE 29 HB2 PHE 29 19.198 11.711 -5.674 226 2HB PHE 29 HB3 PHE 29 18.778 12.269 -4.062 227 HD1 PHE 29 HD1 PHE 29 16.849 11.626 -2.936 228 HD2 PHE 29 HD2 PHE 29 17.192 10.881 -7.169 229 HE1 PHE 29 HE1 PHE 29 14.798 10.239 -2.859 230 HE2 PHE 29 HE2 PHE 29 15.151 9.483 -7.082 231 HZ PHE 29 HZ PHE 29 13.951 9.173 -4.937 232 H ASN 30 H ASN 30 20.517 14.406 -6.710 233 HA ASN 30 HA ASN 30 21.834 15.245 -4.359 234 1HB ASN 30 HB2 ASN 30 23.038 14.612 -6.343 235 2HB ASN 30 HB3 ASN 30 22.408 16.019 -7.222 236 1HD2 ASN 30 HD22 ASN 30 23.986 17.609 -7.397 237 2HD2 ASN 30 HD21 ASN 30 25.174 17.965 -6.172 238 H GLN 31 H GLN 31 19.309 16.849 -6.031 239 HA GLN 31 HA GLN 31 19.822 19.576 -5.516 240 1HB GLN 31 HB2 GLN 31 17.211 18.000 -5.437 241 2HB GLN 31 HB3 GLN 31 17.325 19.762 -5.419 242 1HG GLN 31 HG2 GLN 31 18.473 19.717 -7.628 243 2HG GLN 31 HG3 GLN 31 18.295 17.961 -7.676 244 1HE2 GLN 31 HE22 GLN 31 16.018 17.084 -7.551 245 2HE2 GLN 31 HE21 GLN 31 14.731 18.028 -8.290 246 H PHE 32 H PHE 32 18.968 16.912 -3.292 247 HA PHE 32 HA PHE 32 18.319 18.790 -1.126 248 1HB PHE 32 HB2 PHE 32 18.553 15.771 -1.016 249 2HB PHE 32 HB3 PHE 32 17.772 16.817 0.160 250 HD1 PHE 32 HD1 PHE 32 17.193 14.662 -2.575 251 HD2 PHE 32 HD2 PHE 32 15.825 18.419 -0.966 252 HE1 PHE 32 HE1 PHE 32 15.187 14.521 -3.986 253 HE2 PHE 32 HE2 PHE 32 13.804 18.276 -2.402 254 HZ PHE 32 HZ PHE 32 13.516 16.343 -3.958 255 HA PRO 33 HA PRO 33 22.619 18.884 -0.041 256 1HB PRO 33 HB2 PRO 33 22.571 20.234 2.337 257 2HB PRO 33 HB3 PRO 33 22.045 20.962 0.798 258 1HG PRO 33 HG2 PRO 33 20.294 19.655 2.906 259 2HG PRO 33 HG3 PRO 33 20.106 21.277 2.166 260 1HD PRO 33 HD2 PRO 33 18.753 19.103 1.229 261 2HD PRO 33 HD3 PRO 33 19.368 20.370 0.126 262 H GLY 34 H GLY 34 21.320 16.321 0.534 263 1HA GLY 34 HA2 GLY 34 23.062 15.342 2.736 264 2HA GLY 34 HA3 GLY 34 21.332 14.946 2.728 265 H PHE 35 H PHE 35 21.961 14.988 -0.529 266 HA PHE 35 HA PHE 35 21.883 12.216 -0.887 267 1HB PHE 35 HB2 PHE 35 21.188 13.841 -2.541 268 2HB PHE 35 HB3 PHE 35 22.786 14.584 -2.552 269 HD1 PHE 35 HD1 PHE 35 24.652 13.615 -3.795 270 HD2 PHE 35 HD2 PHE 35 20.792 11.703 -3.723 271 HE1 PHE 35 HE1 PHE 35 25.311 12.185 -5.725 272 HE2 PHE 35 HE2 PHE 35 21.440 10.317 -5.661 273 HZ PHE 35 HZ PHE 35 23.695 10.557 -6.661 274 H LYS 36 H LYS 36 23.421 10.755 -1.460 275 HA LYS 36 HA LYS 36 26.293 11.554 -1.417 276 1HB LYS 36 HB2 LYS 36 25.130 9.032 -0.171 277 2HB LYS 36 HB3 LYS 36 26.830 9.414 -0.380 278 1HG LYS 36 HG2 LYS 36 26.572 11.382 1.151 279 2HG LYS 36 HG3 LYS 36 24.855 11.002 1.332 280 1HD LYS 36 HD2 LYS 36 26.005 10.099 3.252 281 2HD LYS 36 HD3 LYS 36 25.480 8.743 2.238 282 1HE LYS 36 HE2 LYS 36 27.863 9.008 1.164 283 2HE LYS 36 HE3 LYS 36 28.229 9.939 2.622 284 1HZ LYS 36 HZ1 LYS 36 27.553 7.907 3.892 285 2HZ LYS 36 HZ2 LYS 36 27.368 7.095 2.460 286 3HZ LYS 36 HZ3 LYS 36 28.838 7.636 2.924 287 H GLU 37 H GLU 37 23.981 8.847 -2.369 288 HA GLU 37 HA GLU 37 25.486 8.622 -4.895 289 1HB GLU 37 HB2 GLU 37 26.680 7.401 -2.827 290 2HB GLU 37 HB3 GLU 37 25.473 6.157 -3.134 291 1HG GLU 37 HG2 GLU 37 26.314 5.929 -5.458 292 2HG GLU 37 HG3 GLU 37 27.412 7.282 -5.208 293 H VAL 38 H VAL 38 24.717 6.717 -6.205 294 HA VAL 38 HA VAL 38 21.967 5.761 -5.663 295 HB VAL 38 HB VAL 38 23.057 6.935 -8.260 296 1HG1 VAL 38 HG11 VAL 38 20.871 6.488 -9.273 297 2HG1 VAL 38 HG12 VAL 38 21.630 4.995 -8.804 298 3HG1 VAL 38 HG13 VAL 38 20.327 5.661 -7.790 299 1HG2 VAL 38 HG21 VAL 38 20.766 7.875 -6.504 300 2HG2 VAL 38 HG22 VAL 38 22.346 8.662 -6.741 301 3HG2 VAL 38 HG23 VAL 38 21.229 8.553 -8.083 302 H ARG 39 H ARG 39 21.614 3.654 -6.537 303 HA ARG 39 HA ARG 39 23.738 2.398 -8.156 304 1HB ARG 39 HB2 ARG 39 24.304 1.743 -5.866 305 2HB ARG 39 HB3 ARG 39 22.651 1.241 -5.549 306 1HG ARG 39 HG2 ARG 39 24.163 -0.648 -5.893 307 2HG ARG 39 HG3 ARG 39 22.859 -0.648 -7.078 308 1HD ARG 39 HD2 ARG 39 24.321 -0.013 -8.858 309 2HD ARG 39 HD3 ARG 39 25.538 0.606 -7.738 310 HE ARG 39 HE ARG 39 26.463 -1.431 -7.526 311 1HH1 ARG 39 HH21 ARG 39 23.280 -1.960 -9.059 312 2HH1 ARG 39 HH22 ARG 39 23.509 -3.674 -9.179 313 1HH2 ARG 39 HH11 ARG 39 26.767 -3.669 -7.803 314 2HH2 ARG 39 HH12 ARG 39 25.553 -4.645 -8.531 315 H LEU 40 H LEU 40 22.558 2.021 -9.976 316 HA LEU 40 HA LEU 40 19.710 1.282 -9.919 317 1HB LEU 40 HB2 LEU 40 21.839 1.705 -12.056 318 2HB LEU 40 HB3 LEU 40 20.451 0.726 -12.458 319 HG LEU 40 HG LEU 40 20.274 3.075 -13.178 320 1HD1 LEU 40 HD11 LEU 40 17.901 3.380 -12.293 321 2HD1 LEU 40 HD12 LEU 40 18.263 1.844 -13.092 322 3HD1 LEU 40 HD13 LEU 40 18.157 1.929 -11.329 323 1HD2 LEU 40 HD21 LEU 40 19.790 4.867 -11.649 324 2HD2 LEU 40 HD22 LEU 40 19.789 3.770 -10.253 325 3HD2 LEU 40 HD23 LEU 40 21.302 4.097 -11.127 326 H VAL 41 H VAL 41 19.169 -0.765 -11.131 327 HA VAL 41 HA VAL 41 21.080 -2.980 -10.529 328 HB VAL 41 HB VAL 41 18.064 -3.144 -10.799 329 1HG1 VAL 41 HG11 VAL 41 19.210 -5.203 -11.544 330 2HG1 VAL 41 HG12 VAL 41 20.137 -5.246 -10.027 331 3HG1 VAL 41 HG13 VAL 41 18.375 -5.463 -10.014 332 1HG2 VAL 41 HG21 VAL 41 18.620 -2.054 -8.678 333 2HG2 VAL 41 HG22 VAL 41 18.155 -3.726 -8.354 334 3HG2 VAL 41 HG23 VAL 41 19.870 -3.272 -8.339 335 HA PRO 42 HA PRO 42 21.089 -2.105 -14.973 336 1HB PRO 42 HB2 PRO 42 23.543 -3.186 -15.674 337 2HB PRO 42 HB3 PRO 42 23.334 -1.640 -14.806 338 1HG PRO 42 HG2 PRO 42 23.839 -4.381 -13.604 339 2HG PRO 42 HG3 PRO 42 24.732 -2.855 -13.290 340 1HD PRO 42 HD2 PRO 42 22.756 -3.675 -11.640 341 2HD PRO 42 HD3 PRO 42 22.903 -1.938 -12.069 342 H ASN 43 H ASN 43 19.774 -4.389 -13.861 343 HA ASN 43 HA ASN 43 19.455 -5.966 -16.286 344 1HB ASN 43 HB2 ASN 43 19.399 -7.169 -13.481 345 2HB ASN 43 HB3 ASN 43 18.914 -8.005 -14.946 346 1HD2 ASN 43 HD22 ASN 43 21.657 -6.989 -13.017 347 2HD2 ASN 43 HD21 ASN 43 22.881 -7.731 -14.012 348 H ARG 44 H ARG 44 18.077 -4.076 -13.721 349 HA ARG 44 HA ARG 44 15.420 -4.215 -14.859 350 1HB ARG 44 HB2 ARG 44 16.136 -5.146 -12.044 351 2HB ARG 44 HB3 ARG 44 14.679 -4.211 -12.315 352 1HG ARG 44 HG2 ARG 44 14.025 -5.931 -14.114 353 2HG ARG 44 HG3 ARG 44 15.333 -6.935 -13.456 354 1HD ARG 44 HD2 ARG 44 13.247 -7.558 -12.385 355 2HD ARG 44 HD3 ARG 44 14.273 -6.732 -11.188 356 HE ARG 44 HE ARG 44 12.703 -4.731 -12.349 357 1HH1 ARG 44 HH21 ARG 44 12.119 -7.663 -10.407 358 2HH1 ARG 44 HH22 ARG 44 10.684 -7.058 -9.669 359 1HH2 ARG 44 HH11 ARG 44 10.786 -3.939 -11.407 360 2HH2 ARG 44 HH12 ARG 44 9.903 -4.891 -10.251 361 H HIS 45 H HIS 45 16.592 -2.151 -15.566 362 HA HIS 45 HA HIS 45 17.459 -0.228 -13.731 363 1HB HIS 45 HB2 HIS 45 15.950 0.387 -16.301 364 2HB HIS 45 HB3 HIS 45 17.138 1.403 -15.499 365 HD1 HIS 45 HD1 HIS 45 17.020 -0.402 -18.499 366 HD2 HIS 45 HD2 HIS 45 19.655 -0.361 -15.211 367 HE1 HIS 45 HE1 HIS 45 19.237 -1.369 -19.336 368 H ASP 46 H ASP 46 14.273 -1.474 -13.937 369 HA ASP 46 HA ASP 46 12.793 0.978 -13.551 370 1HB ASP 46 HB2 ASP 46 10.867 -0.306 -13.551 371 2HB ASP 46 HB3 ASP 46 11.905 -1.079 -14.744 372 H ILE 47 H ILE 47 14.798 -0.915 -11.526 373 HA ILE 47 HA ILE 47 13.583 0.366 -9.157 374 HB ILE 47 HB ILE 47 13.992 -1.535 -7.803 375 1HG1 ILE 47 HG12 ILE 47 15.758 -2.413 -10.041 376 2HG1 ILE 47 HG13 ILE 47 16.019 -2.420 -8.306 377 1HG2 ILE 47 HG21 ILE 47 12.458 -3.167 -8.646 378 2HG2 ILE 47 HG22 ILE 47 11.927 -1.600 -9.263 379 3HG2 ILE 47 HG23 ILE 47 12.790 -2.716 -10.330 380 1HD1 ILE 47 HD11 ILE 47 14.502 -4.407 -8.170 381 2HD1 ILE 47 HD12 ILE 47 14.409 -4.360 -9.967 382 3HD1 ILE 47 HD13 ILE 47 15.960 -4.662 -9.165 383 H ALA 48 H ALA 48 15.211 0.685 -7.399 384 HA ALA 48 HA ALA 48 18.042 0.677 -8.077 385 1HB ALA 48 HB1 ALA 48 18.374 3.113 -8.124 386 2HB ALA 48 HB2 ALA 48 17.232 2.687 -9.399 387 3HB ALA 48 HB3 ALA 48 16.641 3.390 -7.876 388 H PHE 49 H PHE 49 19.280 1.989 -6.419 389 HA PHE 49 HA PHE 49 17.889 2.286 -3.829 390 1HB PHE 49 HB2 PHE 49 20.677 1.163 -4.327 391 2HB PHE 49 HB3 PHE 49 20.085 1.668 -2.758 392 HD1 PHE 49 HD1 PHE 49 19.562 -0.826 -5.500 393 HD2 PHE 49 HD2 PHE 49 18.757 0.231 -1.393 394 HE1 PHE 49 HE1 PHE 49 18.659 -3.103 -5.093 395 HE2 PHE 49 HE2 PHE 49 17.897 -2.065 -0.977 396 HZ PHE 49 HZ PHE 49 17.851 -3.733 -2.823 397 H VAL 50 H VAL 50 18.708 4.094 -2.618 398 HA VAL 50 HA VAL 50 20.673 5.882 -3.936 399 HB VAL 50 HB VAL 50 17.975 6.789 -2.841 400 1HG1 VAL 50 HG11 VAL 50 20.134 8.361 -4.303 401 2HG1 VAL 50 HG12 VAL 50 18.551 8.981 -3.789 402 3HG1 VAL 50 HG13 VAL 50 19.744 8.486 -2.581 403 1HG2 VAL 50 HG21 VAL 50 17.590 5.662 -4.976 404 2HG2 VAL 50 HG22 VAL 50 17.366 7.402 -5.149 405 3HG2 VAL 50 HG23 VAL 50 18.858 6.630 -5.747 406 H GLU 51 H GLU 51 21.925 7.013 -2.368 407 HA GLU 51 HA GLU 51 21.562 6.123 0.461 408 1HB GLU 51 HB2 GLU 51 23.342 4.822 -0.626 409 2HB GLU 51 HB3 GLU 51 24.136 6.316 -1.162 410 1HG GLU 51 HG2 GLU 51 24.451 7.013 1.179 411 2HG GLU 51 HG3 GLU 51 23.651 5.548 1.751 412 H PHE 52 H PHE 52 21.926 7.632 1.986 413 HA PHE 52 HA PHE 52 22.532 10.427 1.201 414 1HB PHE 52 HB2 PHE 52 20.041 9.151 2.188 415 2HB PHE 52 HB3 PHE 52 20.519 10.570 3.099 416 HD1 PHE 52 HD1 PHE 52 20.017 9.424 -0.448 417 HD2 PHE 52 HD2 PHE 52 19.781 12.661 2.383 418 HE1 PHE 52 HE1 PHE 52 19.055 10.881 -2.198 419 HE2 PHE 52 HE2 PHE 52 18.787 14.115 0.639 420 HZ PHE 52 HZ PHE 52 18.482 13.241 -1.673 421 H THR 53 H THR 53 22.903 11.750 3.036 422 HA THR 53 HA THR 53 24.811 10.814 4.915 423 HB THR 53 HB THR 53 23.157 13.368 4.708 424 HG1 THR 53 HG1 THR 53 24.443 13.071 2.937 425 1HG2 THR 53 HG21 THR 53 25.623 12.798 6.393 426 2HG2 THR 53 HG22 THR 53 24.987 14.427 6.039 427 3HG2 THR 53 HG23 THR 53 24.004 13.276 6.954 428 H THR 54 H THR 54 21.346 11.818 5.398 429 HA THR 54 HA THR 54 21.388 10.378 7.982 430 HB THR 54 HB THR 54 19.983 12.611 8.602 431 HG1 THR 54 HG1 THR 54 21.101 14.399 7.834 432 1HG2 THR 54 HG21 THR 54 23.009 12.330 8.775 433 2HG2 THR 54 HG22 THR 54 22.013 13.447 9.734 434 3HG2 THR 54 HG23 THR 54 21.818 11.698 9.926 435 H GLU 55 H GLU 55 19.486 9.808 8.773 436 HA GLU 55 HA GLU 55 17.705 8.633 6.934 437 1HB GLU 55 HB2 GLU 55 17.046 9.199 9.857 438 2HB GLU 55 HB3 GLU 55 16.446 7.912 8.823 439 1HG GLU 55 HG2 GLU 55 17.919 6.695 10.007 440 2HG GLU 55 HG3 GLU 55 18.996 7.190 8.715 441 H LEU 56 H LEU 56 17.407 11.656 8.816 442 HA LEU 56 HA LEU 56 14.675 12.159 8.053 443 1HB LEU 56 HB2 LEU 56 16.883 13.791 9.343 444 2HB LEU 56 HB3 LEU 56 15.425 14.587 8.788 445 HG LEU 56 HG LEU 56 15.325 14.115 11.162 446 1HD1 LEU 56 HD11 LEU 56 13.101 13.188 11.281 447 2HD1 LEU 56 HD12 LEU 56 13.226 14.182 9.822 448 3HD1 LEU 56 HD13 LEU 56 13.266 12.408 9.700 449 1HD2 LEU 56 HD21 LEU 56 15.290 11.142 10.501 450 2HD2 LEU 56 HD22 LEU 56 16.658 12.019 11.229 451 3HD2 LEU 56 HD23 LEU 56 15.123 11.891 12.097 452 H GLN 57 H GLN 57 17.828 13.101 6.604 453 HA GLN 57 HA GLN 57 16.550 14.907 4.703 454 1HB GLN 57 HB2 GLN 57 19.307 13.597 4.653 455 2HB GLN 57 HB3 GLN 57 18.711 14.815 3.510 456 1HG GLN 57 HG2 GLN 57 18.232 16.293 5.585 457 2HG GLN 57 HG3 GLN 57 19.236 15.147 6.482 458 1HE2 GLN 57 HE22 GLN 57 21.529 14.910 5.789 459 2HE2 GLN 57 HE21 GLN 57 22.298 16.220 4.890 460 H SER 58 H SER 58 17.592 11.482 4.692 461 HA SER 58 HA SER 58 16.761 10.777 2.093 462 1HB SER 58 HB2 SER 58 16.355 9.047 4.567 463 2HB SER 58 HB3 SER 58 16.638 8.531 2.901 464 HG SER 58 HG SER 58 18.480 9.898 4.613 465 H ASN 59 H ASN 59 14.823 10.902 5.151 466 HA ASN 59 HA ASN 59 12.353 10.195 3.998 467 1HB ASN 59 HB2 ASN 59 12.676 10.283 6.432 468 2HB ASN 59 HB3 ASN 59 12.911 12.023 6.367 469 1HD2 ASN 59 HD22 ASN 59 11.092 13.281 6.745 470 2HD2 ASN 59 HD21 ASN 59 9.456 12.721 6.535 471 H ALA 60 H ALA 60 13.745 13.479 4.456 472 HA ALA 60 HA ALA 60 11.518 14.827 3.335 473 1HB ALA 60 HB1 ALA 60 13.258 15.956 4.643 474 2HB ALA 60 HB2 ALA 60 14.437 15.689 3.331 475 3HB ALA 60 HB3 ALA 60 13.024 16.736 3.066 476 H ALA 61 H ALA 61 14.441 13.549 1.724 477 HA ALA 61 HA ALA 61 13.783 14.469 -0.901 478 1HB ALA 61 HB1 ALA 61 16.034 13.650 -0.269 479 2HB ALA 61 HB2 ALA 61 15.383 12.003 -0.073 480 3HB ALA 61 HB3 ALA 61 15.364 12.782 -1.669 481 H LYS 62 H LYS 62 13.008 11.412 0.830 482 HA LYS 62 HA LYS 62 11.589 10.128 -1.260 483 1HB LYS 62 HB2 LYS 62 12.233 8.879 0.676 484 2HB LYS 62 HB3 LYS 62 11.438 9.997 1.769 485 1HG LYS 62 HG2 LYS 62 9.215 9.298 0.878 486 2HG LYS 62 HG3 LYS 62 10.034 8.090 -0.122 487 1HD LYS 62 HD2 LYS 62 10.915 6.975 1.862 488 2HD LYS 62 HD3 LYS 62 10.284 8.246 2.923 489 1HE LYS 62 HE2 LYS 62 8.494 6.597 1.098 490 2HE LYS 62 HE3 LYS 62 8.914 6.058 2.726 491 1HZ LYS 62 HZ1 LYS 62 7.767 7.857 3.663 492 2HZ LYS 62 HZ2 LYS 62 7.648 8.714 2.287 493 3HZ LYS 62 HZ3 LYS 62 6.780 7.317 2.462 494 H GLU 63 H GLU 63 10.285 12.275 1.380 495 HA GLU 63 HA GLU 63 7.655 12.193 0.338 496 1HB GLU 63 HB2 GLU 63 8.989 14.393 1.975 497 2HB GLU 63 HB3 GLU 63 7.255 14.236 1.704 498 1HG GLU 63 HG2 GLU 63 9.031 12.342 3.279 499 2HG GLU 63 HG3 GLU 63 7.804 13.408 3.903 500 H ALA 64 H ALA 64 10.376 14.299 -0.507 501 HA ALA 64 HA ALA 64 8.894 16.167 -2.072 502 1HB ALA 64 HB1 ALA 64 11.152 16.611 -1.182 503 2HB ALA 64 HB2 ALA 64 11.821 15.344 -2.238 504 3HB ALA 64 HB3 ALA 64 11.107 16.806 -2.946 505 H LEU 65 H LEU 65 10.572 13.093 -2.979 506 HA LEU 65 HA LEU 65 9.704 13.549 -5.801 507 1HB LEU 65 HB2 LEU 65 12.000 11.960 -4.618 508 2HB LEU 65 HB3 LEU 65 11.550 11.918 -6.319 509 HG LEU 65 HG LEU 65 12.533 14.362 -4.810 510 1HD1 LEU 65 HD11 LEU 65 13.819 12.642 -6.980 511 2HD1 LEU 65 HD12 LEU 65 14.519 14.116 -6.275 512 3HD1 LEU 65 HD13 LEU 65 14.272 12.678 -5.268 513 1HD2 LEU 65 HD21 LEU 65 12.656 15.439 -7.059 514 2HD2 LEU 65 HD22 LEU 65 11.795 14.050 -7.755 515 3HD2 LEU 65 HD23 LEU 65 10.996 15.112 -6.571 516 H GLN 66 H GLN 66 8.584 11.661 -3.236 517 HA GLN 66 HA GLN 66 8.006 9.260 -4.638 518 1HB GLN 66 HB2 GLN 66 6.686 10.734 -2.359 519 2HB GLN 66 HB3 GLN 66 5.749 9.492 -3.198 520 1HG GLN 66 HG2 GLN 66 7.581 7.850 -2.850 521 2HG GLN 66 HG3 GLN 66 8.452 9.028 -1.883 522 1HE2 GLN 66 HE22 GLN 66 7.312 6.354 -1.111 523 2HE2 GLN 66 HE21 GLN 66 6.208 6.689 0.225 524 H GLY 67 H GLY 67 6.838 8.822 -6.343 525 1HA GLY 67 HA2 GLY 67 5.184 8.878 -7.908 526 2HA GLY 67 HA3 GLY 67 4.425 10.256 -7.102 527 H PHE 68 H PHE 68 7.803 10.797 -7.784 528 HA PHE 68 HA PHE 68 7.101 12.967 -9.581 529 1HB PHE 68 HB2 PHE 68 8.925 13.166 -7.969 530 2HB PHE 68 HB3 PHE 68 9.773 11.814 -8.706 531 HD1 PHE 68 HD1 PHE 68 8.862 15.381 -9.053 532 HD2 PHE 68 HD2 PHE 68 10.977 12.066 -10.836 533 HE1 PHE 68 HE1 PHE 68 10.067 16.950 -10.552 534 HE2 PHE 68 HE2 PHE 68 12.174 13.640 -12.330 535 HZ PHE 68 HZ PHE 68 11.729 16.083 -12.190 536 H LYS 69 H LYS 69 6.859 12.800 -11.743 537 HA LYS 69 HA LYS 69 7.399 10.381 -13.249 538 1HB LYS 69 HB2 LYS 69 6.388 13.138 -13.890 539 2HB LYS 69 HB3 LYS 69 7.280 12.323 -15.170 540 1HG LYS 69 HG2 LYS 69 5.013 11.820 -15.525 541 2HG LYS 69 HG3 LYS 69 5.833 10.354 -15.004 542 1HD LYS 69 HD2 LYS 69 4.963 10.801 -12.657 543 2HD LYS 69 HD3 LYS 69 3.943 12.068 -13.344 544 1HE LYS 69 HE2 LYS 69 3.997 9.150 -14.267 545 2HE LYS 69 HE3 LYS 69 2.858 9.782 -13.062 546 1HZ LYS 69 HZ1 LYS 69 2.970 10.484 -15.929 547 2HZ LYS 69 HZ2 LYS 69 1.751 9.784 -15.118 548 3HZ LYS 69 HZ3 LYS 69 2.084 11.353 -14.836 549 H ILE 70 H ILE 70 9.407 9.655 -13.483 550 HA ILE 70 HA ILE 70 11.724 11.469 -13.841 551 HB ILE 70 HB ILE 70 11.408 8.480 -14.230 552 1HG1 ILE 70 HG12 ILE 70 12.858 10.064 -12.060 553 2HG1 ILE 70 HG13 ILE 70 11.237 9.397 -11.856 554 1HG2 ILE 70 HG21 ILE 70 13.905 8.486 -14.377 555 2HG2 ILE 70 HG22 ILE 70 13.203 9.434 -15.682 556 3HG2 ILE 70 HG23 ILE 70 13.899 10.256 -14.270 557 1HD1 ILE 70 HD11 ILE 70 12.050 7.130 -12.138 558 2HD1 ILE 70 HD12 ILE 70 13.712 7.706 -12.403 559 3HD1 ILE 70 HD13 ILE 70 12.941 7.965 -10.844 560 H THR 71 H THR 71 9.538 9.326 -15.794 561 HA THR 71 HA THR 71 9.714 11.256 -18.006 562 HB THR 71 HB THR 71 9.495 9.261 -19.595 563 HG1 THR 71 HG1 THR 71 10.652 7.857 -17.447 564 1HG2 THR 71 HG21 THR 71 12.169 9.477 -18.144 565 2HG2 THR 71 HG22 THR 71 11.891 8.803 -19.765 566 3HG2 THR 71 HG23 THR 71 11.613 10.527 -19.463 567 HA PRO 72 HA PRO 72 5.533 11.621 -17.785 568 1HB PRO 72 HB2 PRO 72 5.095 10.264 -20.454 569 2HB PRO 72 HB3 PRO 72 4.332 11.759 -19.818 570 1HG PRO 72 HG2 PRO 72 6.444 11.959 -21.482 571 2HG PRO 72 HG3 PRO 72 6.394 12.972 -20.001 572 1HD PRO 72 HD2 PRO 72 7.923 10.422 -20.494 573 2HD PRO 72 HD3 PRO 72 8.449 11.913 -19.656 574 H THR 73 H THR 73 6.354 8.236 -18.409 575 HA THR 73 HA THR 73 3.796 7.378 -17.186 576 HB THR 73 HB THR 73 4.295 5.267 -18.604 577 HG1 THR 73 HG1 THR 73 5.709 5.544 -20.291 578 1HG2 THR 73 HG21 THR 73 3.765 7.870 -20.115 579 2HG2 THR 73 HG22 THR 73 3.329 6.227 -20.634 580 3HG2 THR 73 HG23 THR 73 2.553 6.938 -19.211 581 H HIS 74 H HIS 74 6.718 7.961 -16.082 582 HA HIS 74 HA HIS 74 6.856 5.466 -14.461 583 1HB HIS 74 HB2 HIS 74 9.215 6.902 -15.712 584 2HB HIS 74 HB3 HIS 74 9.276 5.533 -14.599 585 HD1 HIS 74 HD1 HIS 74 9.040 6.258 -18.247 586 HD2 HIS 74 HD2 HIS 74 8.104 3.146 -15.566 587 HE1 HIS 74 HE1 HIS 74 8.677 4.166 -19.668 588 H ALA 75 H ALA 75 5.529 6.820 -13.128 589 HA ALA 75 HA ALA 75 6.682 9.029 -11.613 590 1HB ALA 75 HB1 ALA 75 4.799 8.507 -10.058 591 2HB ALA 75 HB2 ALA 75 4.233 8.737 -11.712 592 3HB ALA 75 HB3 ALA 75 4.373 7.102 -11.042 593 H MET 76 H MET 76 8.624 8.536 -10.545 594 HA MET 76 HA MET 76 9.346 5.926 -9.778 595 1HB MET 76 HB2 MET 76 11.162 6.799 -8.642 596 2HB MET 76 HB3 MET 76 10.876 7.935 -9.959 597 1HG MET 76 HG2 MET 76 9.938 9.551 -8.366 598 2HG MET 76 HG3 MET 76 10.037 8.355 -7.069 599 1HE MET 76 HE1 MET 76 11.958 11.320 -8.685 600 2HE MET 76 HE2 MET 76 13.614 10.691 -8.783 601 3HE MET 76 HE3 MET 76 12.338 9.994 -9.805 602 H LYS 77 H LYS 77 9.110 4.698 -7.984 603 HA LYS 77 HA LYS 77 7.353 5.711 -5.774 604 1HB LYS 77 HB2 LYS 77 8.176 2.959 -6.722 605 2HB LYS 77 HB3 LYS 77 7.381 3.246 -5.163 606 1HG LYS 77 HG2 LYS 77 5.403 4.146 -6.356 607 2HG LYS 77 HG3 LYS 77 6.217 3.878 -7.908 608 1HD LYS 77 HD2 LYS 77 4.748 2.017 -7.618 609 2HD LYS 77 HD3 LYS 77 6.387 1.419 -7.328 610 1HE LYS 77 HE2 LYS 77 5.907 1.845 -4.810 611 2HE LYS 77 HE3 LYS 77 4.225 2.093 -5.292 612 1HZ LYS 77 HZ1 LYS 77 5.824 -0.388 -5.495 613 2HZ LYS 77 HZ2 LYS 77 4.459 -0.148 -4.646 614 3HZ LYS 77 HZ3 LYS 77 4.376 -0.215 -6.272 615 H ILE 78 H ILE 78 8.292 5.640 -3.723 616 HA ILE 78 HA ILE 78 11.165 4.911 -3.512 617 HB ILE 78 HB ILE 78 9.997 7.431 -2.300 618 1HG1 ILE 78 HG12 ILE 78 11.670 7.353 -4.844 619 2HG1 ILE 78 HG13 ILE 78 9.956 7.752 -4.747 620 1HG2 ILE 78 HG21 ILE 78 12.901 6.599 -2.681 621 2HG2 ILE 78 HG22 ILE 78 12.317 8.018 -1.802 622 3HG2 ILE 78 HG23 ILE 78 11.995 6.428 -1.165 623 1HD1 ILE 78 HD11 ILE 78 11.185 9.775 -4.894 624 2HD1 ILE 78 HD12 ILE 78 10.486 9.663 -3.266 625 3HD1 ILE 78 HD13 ILE 78 12.217 9.365 -3.526 626 H THR 79 H THR 79 11.638 3.968 -1.630 627 HA THR 79 HA THR 79 9.816 3.952 0.672 628 HB THR 79 HB THR 79 10.453 1.323 0.579 629 HG1 THR 79 HG1 THR 79 11.370 1.850 -1.684 630 1HG2 THR 79 HG21 THR 79 8.236 0.857 -0.320 631 2HG2 THR 79 HG22 THR 79 8.149 2.284 0.720 632 3HG2 THR 79 HG23 THR 79 8.143 2.477 -1.045 633 H PHE 80 H PHE 80 11.110 2.947 2.576 634 HA PHE 80 HA PHE 80 13.899 3.891 2.425 635 1HB PHE 80 HB2 PHE 80 12.267 2.612 4.647 636 2HB PHE 80 HB3 PHE 80 13.961 3.054 4.792 637 HD1 PHE 80 HD1 PHE 80 10.582 4.274 5.045 638 HD2 PHE 80 HD2 PHE 80 14.639 5.509 4.299 639 HE1 PHE 80 HE1 PHE 80 9.952 6.625 5.522 640 HE2 PHE 80 HE2 PHE 80 14.004 7.869 4.745 641 HZ PHE 80 HZ PHE 80 11.648 8.421 5.348 642 H ALA 81 H ALA 81 15.681 2.526 2.338 643 HA ALA 81 HA ALA 81 15.243 -0.257 1.459 644 1HB ALA 81 HB1 ALA 81 17.160 1.032 0.534 645 2HB ALA 81 HB2 ALA 81 17.799 1.241 2.182 646 3HB ALA 81 HB3 ALA 81 17.711 -0.374 1.461 647 H LYS 82 H LYS 82 15.965 -2.048 2.825 648 HA LYS 82 HA LYS 82 15.611 -1.452 5.744 649 1HB LYS 82 HB2 LYS 82 14.432 -3.591 3.948 650 2HB LYS 82 HB3 LYS 82 14.412 -3.703 5.713 651 1HG LYS 82 HG2 LYS 82 12.902 -1.974 5.985 652 2HG LYS 82 HG3 LYS 82 13.394 -1.120 4.541 653 1HD LYS 82 HD2 LYS 82 11.131 -2.011 4.261 654 2HD LYS 82 HD3 LYS 82 12.246 -2.737 3.098 655 1HE LYS 82 HE2 LYS 82 12.439 -4.753 4.587 656 2HE LYS 82 HE3 LYS 82 11.261 -4.027 5.686 657 1HZ LYS 82 HZ1 LYS 82 10.709 -4.764 2.851 658 2HZ LYS 82 HZ2 LYS 82 10.232 -5.602 4.169 659 3HZ LYS 82 HZ3 LYS 82 9.622 -4.120 3.877 660 H LYS 83 H LYS 83 17.738 -1.441 6.245 661 HA LYS 83 HA LYS 83 19.777 -3.041 5.170 662 1HB LYS 83 HB2 LYS 83 19.681 -1.866 7.981 663 2HB LYS 83 HB3 LYS 83 21.117 -2.390 7.096 664 1HG LYS 83 HG2 LYS 83 20.539 -0.653 5.315 665 2HG LYS 83 HG3 LYS 83 19.307 -0.035 6.417 666 1HD LYS 83 HD2 LYS 83 22.312 -0.128 6.865 667 2HD LYS 83 HD3 LYS 83 21.347 1.307 6.559 668 1HE LYS 83 HE2 LYS 83 21.239 -0.445 9.060 669 2HE LYS 83 HE3 LYS 83 22.028 1.123 8.911 670 1HZ LYS 83 HZ1 LYS 83 19.119 0.621 8.807 671 2HZ LYS 83 HZ2 LYS 83 19.943 1.468 9.924 672 3HZ LYS 83 HZ3 LYS 83 19.781 2.065 8.407 Start of MODEL 8 1 1H ALA 1 H1 ALA 1 8.477 -7.793 -2.711 2 2H ALA 1 H2 ALA 1 7.791 -8.330 -1.329 3 3H ALA 1 H3 ALA 1 7.017 -8.543 -2.764 4 HA ALA 1 HA ALA 1 6.742 -6.193 -3.042 5 1HB ALA 1 HB1 ALA 1 5.735 -7.157 -0.323 6 2HB ALA 1 HB2 ALA 1 5.126 -5.757 -1.230 7 3HB ALA 1 HB3 ALA 1 4.918 -7.388 -1.888 8 H GLN 2 H GLN 2 7.562 -4.187 -2.677 9 HA GLN 2 HA GLN 2 9.892 -3.804 -1.114 10 1HB GLN 2 HB2 GLN 2 9.602 -1.420 -1.609 11 2HB GLN 2 HB3 GLN 2 9.495 -2.466 -3.021 12 1HG GLN 2 HG2 GLN 2 6.946 -2.259 -2.854 13 2HG GLN 2 HG3 GLN 2 7.215 -0.982 -1.673 14 1HE2 GLN 2 HE22 GLN 2 9.222 0.629 -2.656 15 2HE2 GLN 2 HE21 GLN 2 8.907 1.092 -4.319 16 H THR 3 H THR 3 10.220 -3.421 1.003 17 HA THR 3 HA THR 3 7.976 -3.449 2.838 18 HB THR 3 HB THR 3 9.914 -3.380 4.507 19 HG1 THR 3 HG1 THR 3 11.974 -3.911 3.405 20 1HG2 THR 3 HG21 THR 3 10.646 -5.664 4.047 21 2HG2 THR 3 HG22 THR 3 8.920 -5.513 3.701 22 3HG2 THR 3 HG23 THR 3 10.087 -5.550 2.364 23 H GLU 4 H GLU 4 8.094 -1.841 4.749 24 HA GLU 4 HA GLU 4 9.119 0.817 4.060 25 1HB GLU 4 HB2 GLU 4 6.227 0.150 4.688 26 2HB GLU 4 HB3 GLU 4 6.910 1.660 5.283 27 1HG GLU 4 HG2 GLU 4 7.063 0.906 2.346 28 2HG GLU 4 HG3 GLU 4 5.675 1.714 3.047 29 H GLN 5 H GLN 5 9.600 1.979 5.957 30 HA GLN 5 HA GLN 5 9.857 0.453 8.485 31 1HB GLN 5 HB2 GLN 5 12.040 1.321 6.535 32 2HB GLN 5 HB3 GLN 5 12.352 1.410 8.246 33 1HG GLN 5 HG2 GLN 5 13.265 -0.587 7.559 34 2HG GLN 5 HG3 GLN 5 11.853 -0.987 8.520 35 1HE2 GLN 5 HE22 GLN 5 12.242 -0.238 4.898 36 2HE2 GLN 5 HE21 GLN 5 11.579 -1.772 4.421 37 HA PRO 6 HA PRO 6 9.981 4.783 10.154 38 1HB PRO 6 HB2 PRO 6 12.578 3.889 11.399 39 2HB PRO 6 HB3 PRO 6 11.230 4.801 12.145 40 1HG PRO 6 HG2 PRO 6 11.560 2.160 12.675 41 2HG PRO 6 HG3 PRO 6 9.919 2.821 12.378 42 1HD PRO 6 HD2 PRO 6 11.728 1.353 10.446 43 2HD PRO 6 HD3 PRO 6 9.978 1.121 10.745 44 HA PRO 7 HA PRO 7 12.702 6.856 7.309 45 1HB PRO 7 HB2 PRO 7 13.854 8.362 9.665 46 2HB PRO 7 HB3 PRO 7 13.361 8.986 8.059 47 1HG PRO 7 HG2 PRO 7 11.699 9.259 10.181 48 2HG PRO 7 HG3 PRO 7 11.045 8.754 8.589 49 1HD PRO 7 HD2 PRO 7 11.674 7.032 10.995 50 2HD PRO 7 HD3 PRO 7 10.272 6.962 9.884 51 H ASN 8 H ASN 8 14.621 6.358 6.351 52 HA ASN 8 HA ASN 8 16.832 5.161 7.926 53 1HB ASN 8 HB2 ASN 8 15.293 3.295 7.246 54 2HB ASN 8 HB3 ASN 8 15.424 3.818 5.568 55 1HD2 ASN 8 HD22 ASN 8 17.108 2.946 4.360 56 2HD2 ASN 8 HD21 ASN 8 18.434 2.037 5.072 57 H GLN 9 H GLN 9 18.799 5.859 7.033 58 HA GLN 9 HA GLN 9 18.763 7.854 4.995 59 1HB GLN 9 HB2 GLN 9 21.095 8.060 5.315 60 2HB GLN 9 HB3 GLN 9 20.327 7.856 6.867 61 1HG GLN 9 HG2 GLN 9 21.012 5.457 6.892 62 2HG GLN 9 HG3 GLN 9 21.836 5.689 5.341 63 1HE2 GLN 9 HE21 GLN 9 23.393 7.792 5.404 64 2HE2 GLN 9 HE22 GLN 9 24.411 7.862 6.820 65 H ILE 10 H ILE 10 18.112 4.863 4.211 66 HA ILE 10 HA ILE 10 19.390 5.081 1.591 67 HB ILE 10 HB ILE 10 19.212 2.396 3.018 68 1HG1 ILE 10 HG12 ILE 10 21.657 4.164 2.613 69 2HG1 ILE 10 HG13 ILE 10 20.945 3.667 4.151 70 1HG2 ILE 10 HG21 ILE 10 20.613 3.166 0.424 71 2HG2 ILE 10 HG22 ILE 10 20.439 1.532 1.106 72 3HG2 ILE 10 HG23 ILE 10 19.023 2.377 0.512 73 1HD1 ILE 10 HD11 ILE 10 22.880 2.340 3.852 74 2HD1 ILE 10 HD12 ILE 10 21.492 1.270 3.557 75 3HD1 ILE 10 HD13 ILE 10 22.445 1.908 2.194 76 H LEU 11 H LEU 11 17.919 4.610 0.018 77 HA LEU 11 HA LEU 11 15.103 4.004 0.834 78 1HB LEU 11 HB2 LEU 11 16.140 5.816 -1.381 79 2HB LEU 11 HB3 LEU 11 14.449 5.497 -1.023 80 HG LEU 11 HG LEU 11 16.362 6.928 0.876 81 1HD1 LEU 11 HD11 LEU 11 15.204 8.993 0.207 82 2HD1 LEU 11 HD12 LEU 11 16.045 8.246 -1.158 83 3HD1 LEU 11 HD13 LEU 11 14.285 8.094 -1.014 84 1HD2 LEU 11 HD21 LEU 11 14.225 7.624 1.998 85 2HD2 LEU 11 HD22 LEU 11 13.337 6.524 0.922 86 3HD2 LEU 11 HD23 LEU 11 14.536 5.886 2.070 87 H PHE 12 H PHE 12 13.966 2.729 -0.684 88 HA PHE 12 HA PHE 12 15.541 1.481 -2.892 89 1HB PHE 12 HB2 PHE 12 15.071 -0.234 -1.203 90 2HB PHE 12 HB3 PHE 12 13.374 0.242 -1.145 91 HD1 PHE 12 HD1 PHE 12 11.822 -0.936 -2.509 92 HD2 PHE 12 HD2 PHE 12 15.968 -0.832 -3.672 93 HE1 PHE 12 HE1 PHE 12 11.369 -2.575 -4.318 94 HE2 PHE 12 HE2 PHE 12 15.504 -2.431 -5.498 95 HZ PHE 12 HZ PHE 12 13.198 -3.318 -5.823 96 H LEU 13 H LEU 13 14.492 1.603 -4.860 97 HA LEU 13 HA LEU 13 11.994 3.229 -4.944 98 1HB LEU 13 HB2 LEU 13 14.678 3.579 -6.339 99 2HB LEU 13 HB3 LEU 13 13.186 4.150 -7.048 100 HG LEU 13 HG LEU 13 12.744 5.549 -5.031 101 1HD1 LEU 13 HD11 LEU 13 14.878 6.194 -3.737 102 2HD1 LEU 13 HD12 LEU 13 14.086 4.693 -3.280 103 3HD1 LEU 13 HD13 LEU 13 15.548 4.637 -4.285 104 1HD2 LEU 13 HD21 LEU 13 13.685 6.410 -7.157 105 2HD2 LEU 13 HD22 LEU 13 14.297 7.288 -5.761 106 3HD2 LEU 13 HD23 LEU 13 15.325 6.078 -6.559 107 H THR 14 H THR 14 10.687 2.881 -6.716 108 HA THR 14 HA THR 14 11.299 0.700 -8.623 109 HB THR 14 HB THR 14 9.020 -0.268 -8.073 110 HG1 THR 14 HG1 THR 14 8.220 0.225 -6.004 111 1HG2 THR 14 HG21 THR 14 10.884 -0.347 -5.670 112 2HG2 THR 14 HG22 THR 14 9.721 -1.583 -6.193 113 3HG2 THR 14 HG23 THR 14 11.170 -1.268 -7.157 114 H ASN 15 H ASN 15 9.347 0.499 -10.174 115 HA ASN 15 HA ASN 15 8.250 1.321 -11.904 116 1HB ASN 15 HB2 ASN 15 6.593 1.822 -10.080 117 2HB ASN 15 HB3 ASN 15 7.207 3.480 -10.053 118 1HD2 ASN 15 HD22 ASN 15 5.778 4.808 -11.135 119 2HD2 ASN 15 HD21 ASN 15 4.838 4.336 -12.549 120 H LEU 16 H LEU 16 10.941 2.188 -11.591 121 HA LEU 16 HA LEU 16 11.140 4.959 -12.538 122 1HB LEU 16 HB2 LEU 16 13.311 2.854 -12.543 123 2HB LEU 16 HB3 LEU 16 13.501 4.589 -12.496 124 HG LEU 16 HG LEU 16 12.456 2.852 -10.220 125 1HD1 LEU 16 HD11 LEU 16 15.081 4.312 -10.578 126 2HD1 LEU 16 HD12 LEU 16 14.555 3.399 -9.137 127 3HD1 LEU 16 HD13 LEU 16 14.836 2.569 -10.683 128 1HD2 LEU 16 HD21 LEU 16 12.321 4.773 -8.865 129 2HD2 LEU 16 HD22 LEU 16 13.216 5.776 -10.021 130 3HD2 LEU 16 HD23 LEU 16 11.534 5.270 -10.340 131 HA PRO 17 HA PRO 17 11.115 4.123 -16.973 132 1HB PRO 17 HB2 PRO 17 13.947 5.086 -17.092 133 2HB PRO 17 HB3 PRO 17 12.552 5.526 -18.112 134 1HG PRO 17 HG2 PRO 17 13.499 7.111 -16.080 135 2HG PRO 17 HG3 PRO 17 11.764 7.056 -16.513 136 1HD PRO 17 HD2 PRO 17 13.119 5.910 -14.148 137 2HD PRO 17 HD3 PRO 17 11.422 6.371 -14.365 138 H GLU 18 H GLU 18 11.802 2.403 -18.364 139 HA GLU 18 HA GLU 18 13.409 0.267 -17.239 140 1HB GLU 18 HB2 GLU 18 12.278 0.722 -20.038 141 2HB GLU 18 HB3 GLU 18 13.070 -0.767 -19.500 142 1HG GLU 18 HG2 GLU 18 11.356 -1.028 -17.709 143 2HG GLU 18 HG3 GLU 18 10.513 0.397 -18.320 144 H GLU 19 H GLU 19 14.418 3.177 -18.276 145 HA GLU 19 HA GLU 19 16.931 2.214 -19.384 146 1HB GLU 19 HB2 GLU 19 15.404 4.703 -20.261 147 2HB GLU 19 HB3 GLU 19 16.896 4.075 -20.974 148 1HG GLU 19 HG2 GLU 19 15.606 1.992 -21.629 149 2HG GLU 19 HG3 GLU 19 14.130 2.801 -21.081 150 H THR 20 H THR 20 15.869 3.285 -16.613 151 HA THR 20 HA THR 20 17.040 5.818 -16.116 152 HB THR 20 HB THR 20 16.710 3.610 -14.060 153 HG1 THR 20 HG1 THR 20 14.737 3.619 -14.934 154 1HG2 THR 20 HG21 THR 20 16.031 5.502 -12.613 155 2HG2 THR 20 HG22 THR 20 17.664 5.787 -13.241 156 3HG2 THR 20 HG23 THR 20 16.269 6.640 -13.951 157 H ASN 21 H ASN 21 19.037 6.363 -15.107 158 HA ASN 21 HA ASN 21 21.147 4.297 -15.087 159 1HB ASN 21 HB2 ASN 21 21.243 5.424 -17.307 160 2HB ASN 21 HB3 ASN 21 21.295 6.997 -16.508 161 1HD2 ASN 21 HD22 ASN 21 23.384 7.615 -17.294 162 2HD2 ASN 21 HD21 ASN 21 24.832 6.773 -16.821 163 H GLU 22 H GLU 22 23.035 5.083 -13.847 164 HA GLU 22 HA GLU 22 22.453 6.035 -11.291 165 1HB GLU 22 HB2 GLU 22 24.457 4.748 -12.066 166 2HB GLU 22 HB3 GLU 22 25.062 6.202 -12.861 167 1HG GLU 22 HG2 GLU 22 25.110 7.328 -10.586 168 2HG GLU 22 HG3 GLU 22 24.658 5.774 -9.875 169 H MET 23 H MET 23 23.588 7.848 -14.127 170 HA MET 23 HA MET 23 24.042 10.322 -12.817 171 1HB MET 23 HB2 MET 23 23.305 9.740 -15.718 172 2HB MET 23 HB3 MET 23 23.889 11.298 -15.119 173 1HG MET 23 HG2 MET 23 25.998 10.271 -14.390 174 2HG MET 23 HG3 MET 23 25.447 8.689 -14.949 175 1HE MET 23 HE1 MET 23 28.314 9.553 -17.469 176 2HE MET 23 HE2 MET 23 28.244 9.970 -15.743 177 3HE MET 23 HE3 MET 23 27.689 8.373 -16.296 178 H MET 24 H MET 24 21.043 8.926 -14.112 179 HA MET 24 HA MET 24 19.577 11.413 -14.236 180 1HB MET 24 HB2 MET 24 18.621 8.507 -14.080 181 2HB MET 24 HB3 MET 24 17.551 9.900 -14.255 182 1HG MET 24 HG2 MET 24 18.503 10.507 -16.348 183 2HG MET 24 HG3 MET 24 19.846 9.377 -16.152 184 1HE MET 24 HE1 MET 24 15.944 8.652 -15.551 185 2HE MET 24 HE2 MET 24 16.018 9.771 -16.934 186 3HE MET 24 HE3 MET 24 15.510 8.086 -17.176 187 H LEU 25 H LEU 25 19.618 8.720 -11.876 188 HA LEU 25 HA LEU 25 17.824 10.179 -10.123 189 1HB LEU 25 HB2 LEU 25 19.622 7.808 -9.469 190 2HB LEU 25 HB3 LEU 25 18.354 8.476 -8.438 191 HG LEU 25 HG LEU 25 18.120 6.865 -10.972 192 1HD1 LEU 25 HD11 LEU 25 16.620 5.542 -9.529 193 2HD1 LEU 25 HD12 LEU 25 18.195 5.771 -8.756 194 3HD1 LEU 25 HD13 LEU 25 16.805 6.735 -8.223 195 1HD2 LEU 25 HD21 LEU 25 15.618 7.335 -10.899 196 2HD2 LEU 25 HD22 LEU 25 15.983 8.713 -9.827 197 3HD2 LEU 25 HD23 LEU 25 16.611 8.668 -11.497 198 H SER 26 H SER 26 21.393 9.903 -10.383 199 HA SER 26 HA SER 26 21.943 11.148 -7.868 200 1HB SER 26 HB2 SER 26 23.576 11.223 -10.443 201 2HB SER 26 HB3 SER 26 24.153 11.639 -8.817 202 HG SER 26 HG SER 26 23.334 9.139 -9.852 203 H MET 27 H MET 27 21.447 12.489 -11.186 204 HA MET 27 HA MET 27 21.757 15.206 -10.488 205 1HB MET 27 HB2 MET 27 21.731 14.402 -12.790 206 2HB MET 27 HB3 MET 27 20.047 13.877 -12.636 207 1HG MET 27 HG2 MET 27 19.327 16.182 -12.291 208 2HG MET 27 HG3 MET 27 21.007 16.738 -12.364 209 1HE MET 27 HE1 MET 27 18.498 17.879 -14.041 210 2HE MET 27 HE2 MET 27 20.137 18.566 -14.114 211 3HE MET 27 HE3 MET 27 19.275 18.163 -15.615 212 H LEU 28 H LEU 28 18.804 13.100 -10.395 213 HA LEU 28 HA LEU 28 17.083 15.253 -9.634 214 1HB LEU 28 HB2 LEU 28 16.807 12.243 -9.298 215 2HB LEU 28 HB3 LEU 28 15.540 13.383 -8.858 216 HG LEU 28 HG LEU 28 16.681 13.096 -11.664 217 1HD1 LEU 28 HD11 LEU 28 14.568 11.986 -12.211 218 2HD1 LEU 28 HD12 LEU 28 15.410 11.098 -10.934 219 3HD1 LEU 28 HD13 LEU 28 14.024 12.139 -10.524 220 1HD2 LEU 28 HD21 LEU 28 14.322 14.717 -10.622 221 2HD2 LEU 28 HD22 LEU 28 15.811 15.352 -11.360 222 3HD2 LEU 28 HD23 LEU 28 14.685 14.427 -12.339 223 H PHE 29 H PHE 29 18.591 12.707 -7.581 224 HA PHE 29 HA PHE 29 17.391 13.952 -5.238 225 1HB PHE 29 HB2 PHE 29 19.272 11.604 -5.640 226 2HB PHE 29 HB3 PHE 29 18.855 12.231 -4.048 227 HD1 PHE 29 HD1 PHE 29 17.340 10.626 -7.070 228 HD2 PHE 29 HD2 PHE 29 16.833 11.821 -2.965 229 HE1 PHE 29 HE1 PHE 29 15.242 9.322 -6.945 230 HE2 PHE 29 HE2 PHE 29 14.719 10.524 -2.843 231 HZ PHE 29 HZ PHE 29 13.915 9.293 -4.843 232 H ASN 30 H ASN 30 20.630 14.280 -6.754 233 HA ASN 30 HA ASN 30 21.939 15.219 -4.438 234 1HB ASN 30 HB2 ASN 30 23.140 14.503 -6.392 235 2HB ASN 30 HB3 ASN 30 22.513 15.876 -7.328 236 1HD2 ASN 30 HD22 ASN 30 24.089 17.464 -7.555 237 2HD2 ASN 30 HD21 ASN 30 25.276 17.861 -6.343 238 H GLN 31 H GLN 31 19.410 16.756 -6.173 239 HA GLN 31 HA GLN 31 19.958 19.498 -5.759 240 1HB GLN 31 HB2 GLN 31 17.331 17.951 -5.699 241 2HB GLN 31 HB3 GLN 31 17.457 19.713 -5.723 242 1HG GLN 31 HG2 GLN 31 18.643 19.626 -7.897 243 2HG GLN 31 HG3 GLN 31 18.507 17.866 -7.908 244 1HE2 GLN 31 HE22 GLN 31 16.237 16.952 -7.781 245 2HE2 GLN 31 HE21 GLN 31 14.953 17.833 -8.599 246 H PHE 32 H PHE 32 19.062 16.924 -3.455 247 HA PHE 32 HA PHE 32 18.351 18.884 -1.382 248 1HB PHE 32 HB2 PHE 32 18.568 15.869 -1.158 249 2HB PHE 32 HB3 PHE 32 17.755 16.960 -0.044 250 HD1 PHE 32 HD1 PHE 32 15.884 18.557 -1.322 251 HD2 PHE 32 HD2 PHE 32 17.224 14.689 -2.674 252 HE1 PHE 32 HE1 PHE 32 13.906 18.373 -2.811 253 HE2 PHE 32 HE2 PHE 32 15.251 14.500 -4.127 254 HZ PHE 32 HZ PHE 32 13.621 16.360 -4.258 255 HA PRO 33 HA PRO 33 22.589 19.007 -0.084 256 1HB PRO 33 HB2 PRO 33 22.419 20.379 2.273 257 2HB PRO 33 HB3 PRO 33 21.948 21.088 0.708 258 1HG PRO 33 HG2 PRO 33 20.128 19.767 2.749 259 2HG PRO 33 HG3 PRO 33 19.950 21.385 1.997 260 1HD PRO 33 HD2 PRO 33 18.666 19.190 1.012 261 2HD PRO 33 HD3 PRO 33 19.310 20.463 -0.069 262 H GLY 34 H GLY 34 21.351 16.436 0.395 263 1HA GLY 34 HA2 GLY 34 22.982 15.474 2.675 264 2HA GLY 34 HA3 GLY 34 21.246 15.108 2.652 265 H PHE 35 H PHE 35 21.955 15.052 -0.605 266 HA PHE 35 HA PHE 35 21.799 12.281 -0.886 267 1HB PHE 35 HB2 PHE 35 21.220 13.874 -2.604 268 2HB PHE 35 HB3 PHE 35 22.839 14.572 -2.581 269 HD1 PHE 35 HD1 PHE 35 24.678 13.588 -3.810 270 HD2 PHE 35 HD2 PHE 35 20.837 11.638 -3.657 271 HE1 PHE 35 HE1 PHE 35 25.355 12.088 -5.672 272 HE2 PHE 35 HE2 PHE 35 21.503 10.177 -5.521 273 HZ PHE 35 HZ PHE 35 23.761 10.388 -6.527 274 H LYS 36 H LYS 36 23.299 10.762 -1.430 275 HA LYS 36 HA LYS 36 26.204 11.413 -1.192 276 1HB LYS 36 HB2 LYS 36 24.832 8.971 0.000 277 2HB LYS 36 HB3 LYS 36 26.555 9.199 -0.092 278 1HG LYS 36 HG2 LYS 36 24.643 11.025 1.428 279 2HG LYS 36 HG3 LYS 36 25.516 9.680 2.152 280 1HD LYS 36 HD2 LYS 36 26.773 12.177 0.938 281 2HD LYS 36 HD3 LYS 36 26.571 11.815 2.661 282 1HE LYS 36 HE2 LYS 36 27.950 9.789 2.418 283 2HE LYS 36 HE3 LYS 36 28.201 10.154 0.705 284 1HZ LYS 36 HZ1 LYS 36 29.334 12.200 1.376 285 2HZ LYS 36 HZ2 LYS 36 29.104 11.860 2.959 286 3HZ LYS 36 HZ3 LYS 36 30.064 10.911 2.050 287 H GLU 37 H GLU 37 23.864 8.782 -2.219 288 HA GLU 37 HA GLU 37 25.276 8.612 -4.787 289 1HB GLU 37 HB2 GLU 37 26.608 7.369 -2.793 290 2HB GLU 37 HB3 GLU 37 25.436 6.097 -3.107 291 1HG GLU 37 HG2 GLU 37 26.192 6.007 -5.477 292 2HG GLU 37 HG3 GLU 37 27.251 7.386 -5.201 293 H VAL 38 H VAL 38 24.489 6.500 -6.005 294 HA VAL 38 HA VAL 38 21.903 5.499 -5.101 295 HB VAL 38 HB VAL 38 20.727 5.780 -7.118 296 1HG1 VAL 38 HG11 VAL 38 20.470 8.145 -7.389 297 2HG1 VAL 38 HG12 VAL 38 20.866 7.844 -5.699 298 3HG1 VAL 38 HG13 VAL 38 22.114 8.456 -6.816 299 1HG2 VAL 38 HG21 VAL 38 21.602 6.848 -9.162 300 2HG2 VAL 38 HG22 VAL 38 23.220 6.907 -8.435 301 3HG2 VAL 38 HG23 VAL 38 22.434 5.344 -8.797 302 H ARG 39 H ARG 39 21.312 3.506 -6.356 303 HA ARG 39 HA ARG 39 23.533 2.159 -7.780 304 1HB ARG 39 HB2 ARG 39 23.818 1.481 -5.437 305 2HB ARG 39 HB3 ARG 39 22.114 1.053 -5.319 306 1HG ARG 39 HG2 ARG 39 22.464 -0.756 -7.023 307 2HG ARG 39 HG3 ARG 39 24.172 -0.302 -7.112 308 1HD ARG 39 HD2 ARG 39 23.982 -2.212 -5.664 309 2HD ARG 39 HD3 ARG 39 24.392 -0.806 -4.669 310 HE ARG 39 HE ARG 39 21.525 -1.352 -4.878 311 1HH1 ARG 39 HH11 ARG 39 24.465 -2.181 -3.076 312 2HH1 ARG 39 HH12 ARG 39 23.630 -2.700 -1.660 313 1HH2 ARG 39 HH21 ARG 39 20.391 -2.037 -2.969 314 2HH2 ARG 39 HH22 ARG 39 21.275 -2.619 -1.610 315 H LEU 40 H LEU 40 22.469 1.948 -9.719 316 HA LEU 40 HA LEU 40 19.607 1.281 -9.887 317 1HB LEU 40 HB2 LEU 40 21.879 1.687 -11.882 318 2HB LEU 40 HB3 LEU 40 20.440 0.828 -12.382 319 HG LEU 40 HG LEU 40 20.465 3.208 -13.016 320 1HD1 LEU 40 HD11 LEU 40 18.370 2.094 -13.036 321 2HD1 LEU 40 HD12 LEU 40 18.188 2.194 -11.281 322 3HD1 LEU 40 HD13 LEU 40 18.096 3.661 -12.256 323 1HD2 LEU 40 HD21 LEU 40 19.930 3.849 -10.088 324 2HD2 LEU 40 HD22 LEU 40 21.482 4.112 -10.913 325 3HD2 LEU 40 HD23 LEU 40 20.036 4.983 -11.450 326 H VAL 41 H VAL 41 19.049 -0.719 -11.073 327 HA VAL 41 HA VAL 41 20.905 -2.989 -10.507 328 HB VAL 41 HB VAL 41 17.886 -2.996 -10.797 329 1HG1 VAL 41 HG11 VAL 41 18.857 -5.076 -11.688 330 2HG1 VAL 41 HG12 VAL 41 19.844 -5.268 -10.220 331 3HG1 VAL 41 HG13 VAL 41 18.072 -5.384 -10.142 332 1HG2 VAL 41 HG21 VAL 41 17.973 -3.733 -8.397 333 2HG2 VAL 41 HG22 VAL 41 19.714 -3.400 -8.385 334 3HG2 VAL 41 HG23 VAL 41 18.548 -2.081 -8.627 335 HA PRO 42 HA PRO 42 21.116 -1.965 -14.885 336 1HB PRO 42 HB2 PRO 42 23.555 -3.108 -15.557 337 2HB PRO 42 HB3 PRO 42 23.373 -1.613 -14.600 338 1HG PRO 42 HG2 PRO 42 23.697 -4.447 -13.558 339 2HG PRO 42 HG3 PRO 42 24.649 -2.991 -13.111 340 1HD PRO 42 HD2 PRO 42 22.566 -3.796 -11.590 341 2HD PRO 42 HD3 PRO 42 22.807 -2.050 -11.927 342 H ASN 43 H ASN 43 19.709 -4.301 -13.980 343 HA ASN 43 HA ASN 43 19.311 -5.526 -16.568 344 1HB ASN 43 HB2 ASN 43 19.065 -7.788 -15.793 345 2HB ASN 43 HB3 ASN 43 20.652 -7.218 -15.305 346 1HD2 ASN 43 HD22 ASN 43 21.124 -7.091 -13.040 347 2HD2 ASN 43 HD21 ASN 43 19.992 -7.607 -11.818 348 H ARG 44 H ARG 44 18.013 -3.974 -13.823 349 HA ARG 44 HA ARG 44 15.345 -4.080 -14.926 350 1HB ARG 44 HB2 ARG 44 16.083 -5.107 -12.152 351 2HB ARG 44 HB3 ARG 44 14.625 -4.159 -12.384 352 1HG ARG 44 HG2 ARG 44 13.976 -5.820 -14.252 353 2HG ARG 44 HG3 ARG 44 15.259 -6.855 -13.590 354 1HD ARG 44 HD2 ARG 44 13.156 -7.469 -12.557 355 2HD ARG 44 HD3 ARG 44 14.160 -6.657 -11.333 356 HE ARG 44 HE ARG 44 12.628 -4.638 -12.508 357 1HH1 ARG 44 HH21 ARG 44 11.992 -7.583 -10.603 358 2HH1 ARG 44 HH22 ARG 44 10.545 -6.979 -9.887 359 1HH2 ARG 44 HH11 ARG 44 10.688 -3.850 -11.604 360 2HH2 ARG 44 HH12 ARG 44 9.784 -4.806 -10.467 361 H HIS 45 H HIS 45 16.627 -2.026 -15.568 362 HA HIS 45 HA HIS 45 17.441 -0.141 -13.675 363 1HB HIS 45 HB2 HIS 45 16.016 0.533 -16.277 364 2HB HIS 45 HB3 HIS 45 17.199 1.511 -15.424 365 HD1 HIS 45 HD1 HIS 45 17.076 -0.399 -18.418 366 HD2 HIS 45 HD2 HIS 45 19.726 -0.140 -15.153 367 HE1 HIS 45 HE1 HIS 45 19.313 -1.345 -19.224 368 H ASP 46 H ASP 46 14.251 -1.348 -14.032 369 HA ASP 46 HA ASP 46 12.767 1.096 -13.626 370 1HB ASP 46 HB2 ASP 46 10.841 -0.198 -13.707 371 2HB ASP 46 HB3 ASP 46 11.913 -0.944 -14.887 372 H ILE 47 H ILE 47 14.722 -0.834 -11.605 373 HA ILE 47 HA ILE 47 13.478 0.432 -9.249 374 HB ILE 47 HB ILE 47 13.846 -1.468 -7.893 375 1HG1 ILE 47 HG12 ILE 47 15.674 -2.336 -10.076 376 2HG1 ILE 47 HG13 ILE 47 15.868 -2.384 -8.334 377 1HG2 ILE 47 HG21 ILE 47 11.812 -1.526 -9.382 378 2HG2 ILE 47 HG22 ILE 47 12.686 -2.636 -10.446 379 3HG2 ILE 47 HG23 ILE 47 12.329 -3.101 -8.770 380 1HD1 ILE 47 HD11 ILE 47 14.301 -4.279 -10.093 381 2HD1 ILE 47 HD12 ILE 47 15.832 -4.605 -9.271 382 3HD1 ILE 47 HD13 ILE 47 14.355 -4.374 -8.297 383 H ALA 48 H ALA 48 15.083 0.717 -7.470 384 HA ALA 48 HA ALA 48 17.934 0.746 -8.071 385 1HB ALA 48 HB1 ALA 48 16.524 3.446 -7.878 386 2HB ALA 48 HB2 ALA 48 18.254 3.152 -8.125 387 3HB ALA 48 HB3 ALA 48 17.106 2.751 -9.404 388 H PHE 49 H PHE 49 19.060 2.088 -6.335 389 HA PHE 49 HA PHE 49 17.510 2.377 -3.842 390 1HB PHE 49 HB2 PHE 49 20.338 1.270 -4.054 391 2HB PHE 49 HB3 PHE 49 19.544 1.720 -2.565 392 HD1 PHE 49 HD1 PHE 49 18.260 0.149 -1.344 393 HD2 PHE 49 HD2 PHE 49 19.282 -0.661 -5.466 394 HE1 PHE 49 HE1 PHE 49 17.518 -2.205 -1.077 395 HE2 PHE 49 HE2 PHE 49 18.498 -3.002 -5.198 396 HZ PHE 49 HZ PHE 49 17.639 -3.783 -2.997 397 H VAL 50 H VAL 50 18.330 4.158 -2.564 398 HA VAL 50 HA VAL 50 20.316 5.969 -3.835 399 HB VAL 50 HB VAL 50 17.521 6.693 -2.865 400 1HG1 VAL 50 HG11 VAL 50 19.737 8.510 -3.884 401 2HG1 VAL 50 HG12 VAL 50 18.048 8.986 -3.606 402 3HG1 VAL 50 HG13 VAL 50 19.050 8.471 -2.250 403 1HG2 VAL 50 HG21 VAL 50 18.713 6.787 -5.655 404 2HG2 VAL 50 HG22 VAL 50 17.430 5.708 -5.079 405 3HG2 VAL 50 HG23 VAL 50 17.129 7.444 -5.183 406 H GLU 51 H GLU 51 21.521 7.139 -2.261 407 HA GLU 51 HA GLU 51 21.223 6.223 0.560 408 1HB GLU 51 HB2 GLU 51 22.859 4.830 -0.610 409 2HB GLU 51 HB3 GLU 51 23.700 6.263 -1.221 410 1HG GLU 51 HG2 GLU 51 24.306 6.925 1.069 411 2HG GLU 51 HG3 GLU 51 23.397 5.567 1.731 412 H PHE 52 H PHE 52 21.697 7.714 2.065 413 HA PHE 52 HA PHE 52 22.356 10.493 1.251 414 1HB PHE 52 HB2 PHE 52 19.896 9.299 2.445 415 2HB PHE 52 HB3 PHE 52 20.455 10.754 3.226 416 HD1 PHE 52 HD1 PHE 52 19.789 12.827 2.419 417 HD2 PHE 52 HD2 PHE 52 19.754 9.445 -0.242 418 HE1 PHE 52 HE1 PHE 52 18.841 14.253 0.625 419 HE2 PHE 52 HE2 PHE 52 18.865 10.879 -2.051 420 HZ PHE 52 HZ PHE 52 18.444 13.289 -1.633 421 H THR 53 H THR 53 22.849 11.843 3.012 422 HA THR 53 HA THR 53 24.844 10.977 4.815 423 HB THR 53 HB THR 53 23.092 13.483 4.705 424 HG1 THR 53 HG1 THR 53 24.250 13.253 2.847 425 1HG2 THR 53 HG21 THR 53 25.687 13.015 6.213 426 2HG2 THR 53 HG22 THR 53 24.967 14.617 5.899 427 3HG2 THR 53 HG23 THR 53 24.092 13.435 6.882 428 H THR 54 H THR 54 21.427 11.972 5.375 429 HA THR 54 HA THR 54 21.468 10.645 8.016 430 HB THR 54 HB THR 54 20.049 12.924 8.505 431 HG1 THR 54 HG1 THR 54 21.242 14.652 7.690 432 1HG2 THR 54 HG21 THR 54 21.834 12.055 9.914 433 2HG2 THR 54 HG22 THR 54 23.062 12.598 8.753 434 3HG2 THR 54 HG23 THR 54 22.070 13.787 9.632 435 H GLU 55 H GLU 55 19.496 10.171 8.861 436 HA GLU 55 HA GLU 55 17.824 8.957 6.867 437 1HB GLU 55 HB2 GLU 55 17.005 9.037 9.767 438 2HB GLU 55 HB3 GLU 55 16.842 7.750 8.586 439 1HG GLU 55 HG2 GLU 55 19.636 8.012 8.898 440 2HG GLU 55 HG3 GLU 55 19.009 8.341 10.495 441 H LEU 56 H LEU 56 17.599 11.895 8.717 442 HA LEU 56 HA LEU 56 14.783 12.407 8.187 443 1HB LEU 56 HB2 LEU 56 17.033 14.328 8.907 444 2HB LEU 56 HB3 LEU 56 15.303 14.678 8.944 445 HG LEU 56 HG LEU 56 16.837 12.761 10.750 446 1HD1 LEU 56 HD11 LEU 56 15.304 15.320 11.362 447 2HD1 LEU 56 HD12 LEU 56 16.168 14.298 12.535 448 3HD1 LEU 56 HD13 LEU 56 17.072 15.154 11.278 449 1HD2 LEU 56 HD21 LEU 56 13.831 13.259 10.653 450 2HD2 LEU 56 HD22 LEU 56 14.679 11.718 10.361 451 3HD2 LEU 56 HD23 LEU 56 14.689 12.428 11.973 452 H GLN 57 H GLN 57 17.866 12.955 6.454 453 HA GLN 57 HA GLN 57 16.574 14.846 4.619 454 1HB GLN 57 HB2 GLN 57 19.373 13.651 4.615 455 2HB GLN 57 HB3 GLN 57 18.738 14.821 3.440 456 1HG GLN 57 HG2 GLN 57 18.131 16.287 5.503 457 2HG GLN 57 HG3 GLN 57 19.217 15.231 6.407 458 1HE2 GLN 57 HE21 GLN 57 21.533 15.154 5.665 459 2HE2 GLN 57 HE22 GLN 57 22.182 16.520 4.754 460 H SER 58 H SER 58 17.541 11.330 4.557 461 HA SER 58 HA SER 58 16.652 10.938 1.861 462 1HB SER 58 HB2 SER 58 16.242 8.581 2.615 463 2HB SER 58 HB3 SER 58 17.869 9.173 2.951 464 HG SER 58 HG SER 58 16.533 8.042 4.671 465 H ASN 59 H ASN 59 14.900 10.870 5.020 466 HA ASN 59 HA ASN 59 12.324 10.379 4.014 467 1HB ASN 59 HB2 ASN 59 12.636 10.343 6.373 468 2HB ASN 59 HB3 ASN 59 13.283 11.968 6.404 469 1HD2 ASN 59 HD22 ASN 59 11.884 13.639 6.878 470 2HD2 ASN 59 HD21 ASN 59 10.145 13.504 6.834 471 H ALA 60 H ALA 60 13.900 13.590 4.402 472 HA ALA 60 HA ALA 60 11.728 15.064 3.322 473 1HB ALA 60 HB1 ALA 60 13.358 16.856 2.943 474 2HB ALA 60 HB2 ALA 60 13.627 16.099 4.526 475 3HB ALA 60 HB3 ALA 60 14.702 15.717 3.158 476 H ALA 61 H ALA 61 14.506 13.576 1.644 477 HA ALA 61 HA ALA 61 13.791 14.514 -0.961 478 1HB ALA 61 HB1 ALA 61 15.339 12.850 -1.770 479 2HB ALA 61 HB2 ALA 61 16.042 13.664 -0.358 480 3HB ALA 61 HB3 ALA 61 15.373 12.020 -0.199 481 H LYS 62 H LYS 62 12.910 11.539 0.841 482 HA LYS 62 HA LYS 62 11.450 10.250 -1.222 483 1HB LYS 62 HB2 LYS 62 12.125 9.118 0.838 484 2HB LYS 62 HB3 LYS 62 11.135 10.204 1.813 485 1HG LYS 62 HG2 LYS 62 9.079 9.323 0.718 486 2HG LYS 62 HG3 LYS 62 10.085 8.199 -0.209 487 1HD LYS 62 HD2 LYS 62 10.896 7.192 1.933 488 2HD LYS 62 HD3 LYS 62 9.864 8.333 2.825 489 1HE LYS 62 HE2 LYS 62 7.870 7.412 1.575 490 2HE LYS 62 HE3 LYS 62 8.927 6.189 0.858 491 1HZ LYS 62 HZ1 LYS 62 7.824 5.293 2.783 492 2HZ LYS 62 HZ2 LYS 62 9.396 5.413 3.143 493 3HZ LYS 62 HZ3 LYS 62 8.335 6.517 3.743 494 H GLU 63 H GLU 63 10.317 12.516 1.372 495 HA GLU 63 HA GLU 63 7.635 12.648 0.498 496 1HB GLU 63 HB2 GLU 63 9.404 14.694 1.904 497 2HB GLU 63 HB3 GLU 63 7.676 14.923 1.671 498 1HG GLU 63 HG2 GLU 63 8.850 12.535 3.159 499 2HG GLU 63 HG3 GLU 63 8.403 14.046 3.934 500 H ALA 64 H ALA 64 10.490 14.466 -0.570 501 HA ALA 64 HA ALA 64 9.099 16.345 -2.190 502 1HB ALA 64 HB1 ALA 64 11.972 15.361 -2.360 503 2HB ALA 64 HB2 ALA 64 11.336 16.871 -3.042 504 3HB ALA 64 HB3 ALA 64 11.387 16.649 -1.278 505 H LEU 65 H LEU 65 10.573 13.149 -3.029 506 HA LEU 65 HA LEU 65 9.744 13.614 -5.863 507 1HB LEU 65 HB2 LEU 65 12.018 11.963 -4.720 508 2HB LEU 65 HB3 LEU 65 11.556 11.993 -6.418 509 HG LEU 65 HG LEU 65 12.636 14.338 -4.828 510 1HD1 LEU 65 HD11 LEU 65 14.313 12.642 -5.435 511 2HD1 LEU 65 HD12 LEU 65 13.794 12.697 -7.127 512 3HD1 LEU 65 HD13 LEU 65 14.562 14.116 -6.384 513 1HD2 LEU 65 HD21 LEU 65 12.723 15.533 -7.019 514 2HD2 LEU 65 HD22 LEU 65 11.799 14.211 -7.760 515 3HD2 LEU 65 HD23 LEU 65 11.070 15.229 -6.497 516 H GLN 66 H GLN 66 8.624 11.736 -3.274 517 HA GLN 66 HA GLN 66 7.968 9.366 -4.741 518 1HB GLN 66 HB2 GLN 66 6.664 10.819 -2.426 519 2HB GLN 66 HB3 GLN 66 5.743 9.587 -3.292 520 1HG GLN 66 HG2 GLN 66 7.598 7.954 -2.943 521 2HG GLN 66 HG3 GLN 66 8.406 9.125 -1.904 522 1HE2 GLN 66 HE22 GLN 66 7.192 6.369 -1.283 523 2HE2 GLN 66 HE21 GLN 66 5.986 6.678 -0.062 524 H GLY 67 H GLY 67 6.716 9.028 -6.439 525 1HA GLY 67 HA2 GLY 67 4.985 9.215 -7.928 526 2HA GLY 67 HA3 GLY 67 4.408 10.682 -7.130 527 H PHE 68 H PHE 68 7.775 10.988 -7.820 528 HA PHE 68 HA PHE 68 7.219 13.128 -9.673 529 1HB PHE 68 HB2 PHE 68 9.061 13.217 -8.054 530 2HB PHE 68 HB3 PHE 68 9.817 11.804 -8.786 531 HD1 PHE 68 HD1 PHE 68 11.132 11.981 -10.815 532 HD2 PHE 68 HD2 PHE 68 9.024 15.409 -9.255 533 HE1 PHE 68 HE1 PHE 68 12.404 13.464 -12.343 534 HE2 PHE 68 HE2 PHE 68 10.309 16.888 -10.781 535 HZ PHE 68 HZ PHE 68 12.002 15.918 -12.325 536 H LYS 69 H LYS 69 6.931 12.926 -11.840 537 HA LYS 69 HA LYS 69 7.453 10.468 -13.303 538 1HB LYS 69 HB2 LYS 69 6.489 13.221 -14.017 539 2HB LYS 69 HB3 LYS 69 7.415 12.379 -15.258 540 1HG LYS 69 HG2 LYS 69 5.156 11.879 -15.673 541 2HG LYS 69 HG3 LYS 69 5.951 10.420 -15.101 542 1HD LYS 69 HD2 LYS 69 5.006 10.907 -12.785 543 2HD LYS 69 HD3 LYS 69 4.023 12.174 -13.523 544 1HE LYS 69 HE2 LYS 69 4.077 9.245 -14.404 545 2HE LYS 69 HE3 LYS 69 2.912 9.902 -13.238 546 1HZ LYS 69 HZ1 LYS 69 2.194 11.453 -15.048 547 2HZ LYS 69 HZ2 LYS 69 3.108 10.575 -16.109 548 3HZ LYS 69 HZ3 LYS 69 1.864 9.884 -15.329 549 H ILE 70 H ILE 70 9.456 9.716 -13.452 550 HA ILE 70 HA ILE 70 11.821 11.465 -13.746 551 HB ILE 70 HB ILE 70 11.446 8.495 -14.178 552 1HG1 ILE 70 HG12 ILE 70 12.808 9.949 -11.867 553 2HG1 ILE 70 HG13 ILE 70 11.136 9.400 -11.804 554 1HG2 ILE 70 HG21 ILE 70 13.948 8.444 -14.146 555 2HG2 ILE 70 HG22 ILE 70 13.352 9.439 -15.478 556 3HG2 ILE 70 HG23 ILE 70 13.970 10.214 -14.008 557 1HD1 ILE 70 HD11 ILE 70 11.825 7.077 -12.159 558 2HD1 ILE 70 HD12 ILE 70 13.538 7.571 -12.171 559 3HD1 ILE 70 HD13 ILE 70 12.557 7.786 -10.720 560 H THR 71 H THR 71 9.658 9.368 -15.792 561 HA THR 71 HA THR 71 9.927 11.312 -17.966 562 HB THR 71 HB THR 71 9.835 9.418 -19.606 563 HG1 THR 71 HG1 THR 71 10.655 7.405 -18.836 564 1HG2 THR 71 HG21 THR 71 12.357 9.326 -17.892 565 2HG2 THR 71 HG22 THR 71 12.212 8.897 -19.609 566 3HG2 THR 71 HG23 THR 71 11.999 10.579 -19.102 567 HA PRO 72 HA PRO 72 5.745 11.698 -17.902 568 1HB PRO 72 HB2 PRO 72 5.387 10.318 -20.571 569 2HB PRO 72 HB3 PRO 72 4.606 11.819 -19.970 570 1HG PRO 72 HG2 PRO 72 6.774 12.007 -21.564 571 2HG PRO 72 HG3 PRO 72 6.678 13.028 -20.089 572 1HD PRO 72 HD2 PRO 72 8.211 10.469 -20.520 573 2HD PRO 72 HD3 PRO 72 8.718 11.961 -19.672 574 H THR 73 H THR 73 6.558 8.300 -18.431 575 HA THR 73 HA THR 73 3.934 7.486 -17.317 576 HB THR 73 HB THR 73 4.477 5.349 -18.684 577 HG1 THR 73 HG1 THR 73 5.949 5.616 -20.333 578 1HG2 THR 73 HG21 THR 73 3.599 6.292 -20.763 579 2HG2 THR 73 HG22 THR 73 2.769 7.021 -19.380 580 3HG2 THR 73 HG23 THR 73 4.022 7.938 -20.244 581 H HIS 74 H HIS 74 6.821 8.041 -16.099 582 HA HIS 74 HA HIS 74 6.891 5.540 -14.474 583 1HB HIS 74 HB2 HIS 74 9.270 6.991 -15.673 584 2HB HIS 74 HB3 HIS 74 9.320 5.636 -14.537 585 HD1 HIS 74 HD1 HIS 74 8.944 6.358 -18.194 586 HD2 HIS 74 HD2 HIS 74 8.292 3.205 -15.488 587 HE1 HIS 74 HE1 HIS 74 8.615 4.251 -19.612 588 H ALA 75 H ALA 75 5.511 6.884 -13.180 589 HA ALA 75 HA ALA 75 6.589 9.087 -11.627 590 1HB ALA 75 HB1 ALA 75 4.683 8.590 -10.122 591 2HB ALA 75 HB2 ALA 75 4.155 8.744 -11.800 592 3HB ALA 75 HB3 ALA 75 4.305 7.136 -11.061 593 H MET 76 H MET 76 8.472 8.673 -10.622 594 HA MET 76 HA MET 76 9.604 6.379 -9.613 595 1HB MET 76 HB2 MET 76 10.586 8.681 -9.791 596 2HB MET 76 HB3 MET 76 9.609 9.196 -8.423 597 1HG MET 76 HG2 MET 76 10.768 7.405 -7.046 598 2HG MET 76 HG3 MET 76 11.851 7.152 -8.415 599 1HE MET 76 HE1 MET 76 12.260 10.220 -9.496 600 2HE MET 76 HE2 MET 76 13.686 10.707 -8.560 601 3HE MET 76 HE3 MET 76 13.623 9.091 -9.287 602 H LYS 77 H LYS 77 8.995 4.933 -8.045 603 HA LYS 77 HA LYS 77 7.304 5.931 -5.777 604 1HB LYS 77 HB2 LYS 77 7.806 3.139 -6.844 605 2HB LYS 77 HB3 LYS 77 7.036 3.488 -5.282 606 1HG LYS 77 HG2 LYS 77 5.340 4.889 -6.651 607 2HG LYS 77 HG3 LYS 77 5.991 4.059 -8.072 608 1HD LYS 77 HD2 LYS 77 4.633 2.819 -5.643 609 2HD LYS 77 HD3 LYS 77 3.991 2.908 -7.288 610 1HE LYS 77 HE2 LYS 77 5.794 1.395 -8.083 611 2HE LYS 77 HE3 LYS 77 6.477 1.345 -6.454 612 1HZ LYS 77 HZ1 LYS 77 4.441 0.291 -5.687 613 2HZ LYS 77 HZ2 LYS 77 3.804 0.312 -7.195 614 3HZ LYS 77 HZ3 LYS 77 5.127 -0.588 -6.868 615 H ILE 78 H ILE 78 8.138 5.538 -3.702 616 HA ILE 78 HA ILE 78 11.006 4.812 -3.487 617 HB ILE 78 HB ILE 78 9.801 7.290 -2.222 618 1HG1 ILE 78 HG12 ILE 78 11.496 7.279 -4.746 619 2HG1 ILE 78 HG13 ILE 78 9.799 7.734 -4.633 620 1HG2 ILE 78 HG21 ILE 78 12.724 6.540 -2.583 621 2HG2 ILE 78 HG22 ILE 78 12.075 7.885 -1.629 622 3HG2 ILE 78 HG23 ILE 78 11.799 6.244 -1.097 623 1HD1 ILE 78 HD11 ILE 78 11.101 9.723 -4.738 624 2HD1 ILE 78 HD12 ILE 78 10.419 9.603 -3.111 625 3HD1 ILE 78 HD13 ILE 78 12.135 9.230 -3.399 626 H THR 79 H THR 79 11.424 3.805 -1.556 627 HA THR 79 HA THR 79 9.447 3.755 0.642 628 HB THR 79 HB THR 79 10.183 1.194 0.687 629 HG1 THR 79 HG1 THR 79 11.271 1.732 -1.552 630 1HG2 THR 79 HG21 THR 79 7.835 2.112 0.465 631 2HG2 THR 79 HG22 THR 79 8.042 2.092 -1.289 632 3HG2 THR 79 HG23 THR 79 8.117 0.572 -0.351 633 H PHE 80 H PHE 80 10.524 3.165 2.700 634 HA PHE 80 HA PHE 80 13.348 4.027 2.756 635 1HB PHE 80 HB2 PHE 80 11.438 3.019 4.898 636 2HB PHE 80 HB3 PHE 80 13.131 3.370 5.205 637 HD1 PHE 80 HD1 PHE 80 9.956 4.731 5.531 638 HD2 PHE 80 HD2 PHE 80 13.928 5.806 4.240 639 HE1 PHE 80 HE1 PHE 80 9.447 7.126 5.934 640 HE2 PHE 80 HE2 PHE 80 13.389 8.197 4.562 641 HZ PHE 80 HZ PHE 80 11.127 8.858 5.399 642 H ALA 81 H ALA 81 15.029 2.655 2.430 643 HA ALA 81 HA ALA 81 14.621 -0.250 2.264 644 1HB ALA 81 HB1 ALA 81 16.947 -0.325 1.624 645 2HB ALA 81 HB2 ALA 81 16.185 0.984 0.731 646 3HB ALA 81 HB3 ALA 81 17.209 1.348 2.140 647 H LYS 82 H LYS 82 17.039 -1.028 3.481 648 HA LYS 82 HA LYS 82 16.677 -0.415 6.378 649 1HB LYS 82 HB2 LYS 82 17.034 -3.210 5.202 650 2HB LYS 82 HB3 LYS 82 16.847 -2.784 6.910 651 1HG LYS 82 HG2 LYS 82 14.575 -1.807 6.319 652 2HG LYS 82 HG3 LYS 82 14.762 -2.479 4.705 653 1HD LYS 82 HD2 LYS 82 13.455 -4.068 5.800 654 2HD LYS 82 HD3 LYS 82 15.076 -4.773 5.791 655 1HE LYS 82 HE2 LYS 82 15.402 -3.951 8.145 656 2HE LYS 82 HE3 LYS 82 13.764 -3.277 8.113 657 1HZ LYS 82 HZ1 LYS 82 12.909 -5.525 7.834 658 2HZ LYS 82 HZ2 LYS 82 14.420 -6.155 7.853 659 3HZ LYS 82 HZ3 LYS 82 13.816 -5.438 9.184 660 H LYS 83 H LYS 83 18.695 -1.805 7.478 661 HA LYS 83 HA LYS 83 21.158 -1.484 5.927 662 1HB LYS 83 HB2 LYS 83 20.694 -0.166 8.643 663 2HB LYS 83 HB3 LYS 83 22.264 -0.353 7.850 664 1HG LYS 83 HG2 LYS 83 21.408 0.996 5.913 665 2HG LYS 83 HG3 LYS 83 19.924 1.297 6.810 666 1HD LYS 83 HD2 LYS 83 22.735 2.167 7.540 667 2HD LYS 83 HD3 LYS 83 21.428 3.201 6.979 668 1HE LYS 83 HE2 LYS 83 21.411 1.634 9.603 669 2HE LYS 83 HE3 LYS 83 21.918 3.315 9.467 670 1HZ LYS 83 HZ1 LYS 83 19.729 3.988 8.957 671 2HZ LYS 83 HZ2 LYS 83 19.196 2.480 8.644 672 3HZ LYS 83 HZ3 LYS 83 19.565 2.935 10.180 Start of MODEL 9 1 1H ALA 1 H1 ALA 1 11.741 -7.274 0.135 2 2H ALA 1 H2 ALA 1 11.187 -7.657 1.622 3 3H ALA 1 H3 ALA 1 10.891 -8.661 0.355 4 HA ALA 1 HA ALA 1 9.528 -7.018 -0.711 5 1HB ALA 1 HB1 ALA 1 8.676 -7.534 2.178 6 2HB ALA 1 HB2 ALA 1 7.619 -7.005 0.853 7 3HB ALA 1 HB3 ALA 1 8.378 -8.605 0.788 8 H GLN 2 H GLN 2 9.333 -4.879 -1.119 9 HA GLN 2 HA GLN 2 10.640 -2.910 0.535 10 1HB GLN 2 HB2 GLN 2 9.923 -1.334 -1.065 11 2HB GLN 2 HB3 GLN 2 10.397 -2.775 -1.953 12 1HG GLN 2 HG2 GLN 2 7.937 -3.387 -2.120 13 2HG GLN 2 HG3 GLN 2 7.550 -1.829 -1.386 14 1HE2 GLN 2 HE22 GLN 2 9.389 -0.067 -2.731 15 2HE2 GLN 2 HE21 GLN 2 9.018 -0.113 -4.439 16 H THR 3 H THR 3 9.596 -1.200 1.816 17 HA THR 3 HA THR 3 6.726 -1.222 2.212 18 HB THR 3 HB THR 3 8.378 -1.730 4.709 19 HG1 THR 3 HG1 THR 3 7.468 -3.683 2.919 20 1HG2 THR 3 HG21 THR 3 6.015 -1.042 5.019 21 2HG2 THR 3 HG22 THR 3 5.478 -2.392 3.999 22 3HG2 THR 3 HG23 THR 3 6.263 -2.701 5.564 23 H GLU 4 H GLU 4 6.112 0.635 3.637 24 HA GLU 4 HA GLU 4 8.113 2.805 3.673 25 1HB GLU 4 HB2 GLU 4 5.726 3.252 3.086 26 2HB GLU 4 HB3 GLU 4 5.234 2.700 4.696 27 1HG GLU 4 HG2 GLU 4 6.506 4.532 5.740 28 2HG GLU 4 HG3 GLU 4 7.174 4.999 4.173 29 H GLN 5 H GLN 5 8.862 3.637 5.830 30 HA GLN 5 HA GLN 5 8.607 1.817 8.133 31 1HB GLN 5 HB2 GLN 5 11.216 2.435 6.665 32 2HB GLN 5 HB3 GLN 5 11.139 1.644 8.214 33 1HG GLN 5 HG2 GLN 5 9.981 0.425 5.675 34 2HG GLN 5 HG3 GLN 5 11.604 0.149 6.271 35 1HE2 GLN 5 HE22 GLN 5 8.137 -0.336 7.091 36 2HE2 GLN 5 HE21 GLN 5 8.431 -1.659 8.208 37 HA PRO 6 HA PRO 6 10.050 5.705 10.281 38 1HB PRO 6 HB2 PRO 6 12.111 3.788 11.384 39 2HB PRO 6 HB3 PRO 6 11.204 5.071 12.243 40 1HG PRO 6 HG2 PRO 6 10.465 2.488 12.522 41 2HG PRO 6 HG3 PRO 6 9.213 3.751 12.279 42 1HD PRO 6 HD2 PRO 6 10.395 1.857 10.241 43 2HD PRO 6 HD3 PRO 6 8.682 2.305 10.494 44 HA PRO 7 HA PRO 7 13.055 6.927 7.420 45 1HB PRO 7 HB2 PRO 7 14.942 8.442 8.835 46 2HB PRO 7 HB3 PRO 7 13.348 9.003 8.260 47 1HG PRO 7 HG2 PRO 7 14.114 7.986 10.998 48 2HG PRO 7 HG3 PRO 7 13.071 9.384 10.581 49 1HD PRO 7 HD2 PRO 7 12.013 7.003 11.315 50 2HD PRO 7 HD3 PRO 7 11.254 7.963 10.009 51 H ASN 8 H ASN 8 14.950 6.314 6.400 52 HA ASN 8 HA ASN 8 16.958 4.688 7.832 53 1HB ASN 8 HB2 ASN 8 15.187 3.084 6.994 54 2HB ASN 8 HB3 ASN 8 15.433 3.711 5.365 55 1HD2 ASN 8 HD21 ASN 8 17.200 2.934 4.154 56 2HD2 ASN 8 HD22 ASN 8 18.353 1.776 4.806 57 H GLN 9 H GLN 9 18.933 5.126 6.999 58 HA GLN 9 HA GLN 9 19.552 7.327 5.502 59 1HB GLN 9 HB2 GLN 9 20.989 5.911 7.018 60 2HB GLN 9 HB3 GLN 9 21.147 4.740 5.707 61 1HG GLN 9 HG2 GLN 9 22.305 6.351 4.342 62 2HG GLN 9 HG3 GLN 9 21.949 7.645 5.509 63 1HE2 GLN 9 HE22 GLN 9 24.362 7.746 5.051 64 2HE2 GLN 9 HE21 GLN 9 25.419 6.917 6.197 65 H ILE 10 H ILE 10 18.679 4.245 4.195 66 HA ILE 10 HA ILE 10 19.485 5.051 1.449 67 HB ILE 10 HB ILE 10 19.533 2.303 2.753 68 1HG1 ILE 10 HG12 ILE 10 21.818 3.984 1.642 69 2HG1 ILE 10 HG13 ILE 10 21.443 3.806 3.353 70 1HG2 ILE 10 HG21 ILE 10 20.324 2.985 -0.116 71 2HG2 ILE 10 HG22 ILE 10 20.350 1.384 0.647 72 3HG2 ILE 10 HG23 ILE 10 18.816 2.166 0.335 73 1HD1 ILE 10 HD11 ILE 10 22.431 1.614 1.508 74 2HD1 ILE 10 HD12 ILE 10 23.251 2.347 2.893 75 3HD1 ILE 10 HD13 ILE 10 21.821 1.334 3.160 76 H LEU 11 H LEU 11 17.997 4.607 -0.154 77 HA LEU 11 HA LEU 11 15.195 3.960 0.685 78 1HB LEU 11 HB2 LEU 11 16.186 5.789 -1.540 79 2HB LEU 11 HB3 LEU 11 14.503 5.432 -1.168 80 HG LEU 11 HG LEU 11 16.413 6.922 0.686 81 1HD1 LEU 11 HD11 LEU 11 14.182 7.979 -1.089 82 2HD1 LEU 11 HD12 LEU 11 15.161 8.926 0.046 83 3HD1 LEU 11 HD13 LEU 11 15.922 8.185 -1.364 84 1HD2 LEU 11 HD21 LEU 11 14.710 5.828 2.005 85 2HD2 LEU 11 HD22 LEU 11 14.271 7.533 1.881 86 3HD2 LEU 11 HD23 LEU 11 13.425 6.334 0.882 87 H PHE 12 H PHE 12 14.055 2.683 -0.841 88 HA PHE 12 HA PHE 12 15.643 1.415 -3.024 89 1HB PHE 12 HB2 PHE 12 15.170 -0.312 -1.359 90 2HB PHE 12 HB3 PHE 12 13.487 0.192 -1.256 91 HD1 PHE 12 HD1 PHE 12 15.991 -0.935 -3.856 92 HD2 PHE 12 HD2 PHE 12 11.863 -0.872 -2.632 93 HE1 PHE 12 HE1 PHE 12 15.426 -2.472 -5.707 94 HE2 PHE 12 HE2 PHE 12 11.299 -2.434 -4.471 95 HZ PHE 12 HZ PHE 12 13.080 -3.238 -6.020 96 H LEU 13 H LEU 13 14.658 1.594 -4.995 97 HA LEU 13 HA LEU 13 12.154 3.213 -5.126 98 1HB LEU 13 HB2 LEU 13 14.883 3.588 -6.409 99 2HB LEU 13 HB3 LEU 13 13.431 4.078 -7.247 100 HG LEU 13 HG LEU 13 12.771 5.489 -5.272 101 1HD1 LEU 13 HD11 LEU 13 14.776 6.247 -3.850 102 2HD1 LEU 13 HD12 LEU 13 14.086 4.675 -3.449 103 3HD1 LEU 13 HD13 LEU 13 15.593 4.756 -4.376 104 1HD2 LEU 13 HD21 LEU 13 14.227 7.301 -5.956 105 2HD2 LEU 13 HD22 LEU 13 15.420 6.164 -6.610 106 3HD2 LEU 13 HD23 LEU 13 13.824 6.345 -7.376 107 H THR 14 H THR 14 10.905 2.920 -6.917 108 HA THR 14 HA THR 14 11.320 0.591 -8.678 109 HB THR 14 HB THR 14 8.768 0.162 -7.820 110 HG1 THR 14 HG1 THR 14 10.163 1.316 -5.650 111 1HG2 THR 14 HG21 THR 14 11.328 -0.916 -6.653 112 2HG2 THR 14 HG22 THR 14 9.715 -1.576 -6.270 113 3HG2 THR 14 HG23 THR 14 10.296 -1.604 -7.939 114 H ASN 15 H ASN 15 9.361 0.392 -10.155 115 HA ASN 15 HA ASN 15 8.164 1.151 -11.830 116 1HB ASN 15 HB2 ASN 15 6.613 1.716 -9.926 117 2HB ASN 15 HB3 ASN 15 7.225 3.370 -9.984 118 1HD2 ASN 15 HD22 ASN 15 5.764 4.683 -11.020 119 2HD2 ASN 15 HD21 ASN 15 4.733 4.187 -12.358 120 H LEU 16 H LEU 16 10.885 2.101 -11.603 121 HA LEU 16 HA LEU 16 11.006 4.853 -12.575 122 1HB LEU 16 HB2 LEU 16 13.216 2.781 -12.637 123 2HB LEU 16 HB3 LEU 16 13.383 4.519 -12.583 124 HG LEU 16 HG LEU 16 12.410 2.780 -10.286 125 1HD1 LEU 16 HD11 LEU 16 14.788 2.504 -10.852 126 2HD1 LEU 16 HD12 LEU 16 15.027 4.244 -10.702 127 3HD1 LEU 16 HD13 LEU 16 14.556 3.287 -9.275 128 1HD2 LEU 16 HD21 LEU 16 13.182 5.699 -10.105 129 2HD2 LEU 16 HD22 LEU 16 11.495 5.198 -10.396 130 3HD2 LEU 16 HD23 LEU 16 12.303 4.698 -8.933 131 HA PRO 17 HA PRO 17 10.945 4.137 -17.020 132 1HB PRO 17 HB2 PRO 17 13.842 4.939 -17.077 133 2HB PRO 17 HB3 PRO 17 12.515 5.416 -18.179 134 1HG PRO 17 HG2 PRO 17 13.349 7.060 -16.203 135 2HG PRO 17 HG3 PRO 17 11.597 6.886 -16.540 136 1HD PRO 17 HD2 PRO 17 13.200 5.697 -14.317 137 2HD PRO 17 HD3 PRO 17 11.515 6.280 -14.310 138 H GLU 18 H GLU 18 11.733 2.638 -18.680 139 HA GLU 18 HA GLU 18 13.170 0.276 -17.683 140 1HB GLU 18 HB2 GLU 18 12.114 1.028 -20.448 141 2HB GLU 18 HB3 GLU 18 12.840 -0.531 -20.025 142 1HG GLU 18 HG2 GLU 18 11.064 -0.883 -18.309 143 2HG GLU 18 HG3 GLU 18 10.286 0.615 -18.823 144 H GLU 19 H GLU 19 14.293 3.229 -18.246 145 HA GLU 19 HA GLU 19 16.756 2.410 -19.554 146 1HB GLU 19 HB2 GLU 19 15.134 4.922 -20.151 147 2HB GLU 19 HB3 GLU 19 16.650 4.496 -20.928 148 1HG GLU 19 HG2 GLU 19 13.996 3.030 -21.212 149 2HG GLU 19 HG3 GLU 19 14.726 4.114 -22.381 150 H THR 20 H THR 20 15.704 3.346 -16.651 151 HA THR 20 HA THR 20 16.890 5.826 -16.055 152 HB THR 20 HB THR 20 16.883 3.637 -13.997 153 HG1 THR 20 HG1 THR 20 14.949 3.111 -14.407 154 1HG2 THR 20 HG21 THR 20 15.775 6.486 -14.045 155 2HG2 THR 20 HG22 THR 20 15.863 5.417 -12.629 156 3HG2 THR 20 HG23 THR 20 17.353 6.010 -13.374 157 H ASN 21 H ASN 21 18.915 6.370 -15.177 158 HA ASN 21 HA ASN 21 21.013 4.297 -15.183 159 1HB ASN 21 HB2 ASN 21 21.189 5.470 -17.366 160 2HB ASN 21 HB3 ASN 21 21.229 7.025 -16.532 161 1HD2 ASN 21 HD22 ASN 21 23.353 7.630 -17.242 162 2HD2 ASN 21 HD21 ASN 21 24.774 6.771 -16.713 163 H GLU 22 H GLU 22 22.837 4.999 -13.819 164 HA GLU 22 HA GLU 22 22.069 5.881 -11.274 165 1HB GLU 22 HB2 GLU 22 24.084 4.524 -12.025 166 2HB GLU 22 HB3 GLU 22 24.845 6.039 -12.516 167 1HG GLU 22 HG2 GLU 22 24.616 6.843 -10.133 168 2HG GLU 22 HG3 GLU 22 23.957 5.255 -9.711 169 H MET 23 H MET 23 23.411 7.710 -13.980 170 HA MET 23 HA MET 23 23.911 10.149 -12.628 171 1HB MET 23 HB2 MET 23 24.799 9.467 -14.866 172 2HB MET 23 HB3 MET 23 23.188 9.725 -15.558 173 1HG MET 23 HG2 MET 23 23.289 12.108 -14.885 174 2HG MET 23 HG3 MET 23 24.886 11.853 -14.182 175 1HE MET 23 HE1 MET 23 27.093 11.584 -15.515 176 2HE MET 23 HE2 MET 23 26.501 10.105 -16.309 177 3HE MET 23 HE3 MET 23 27.200 11.414 -17.280 178 H MET 24 H MET 24 20.909 8.865 -14.037 179 HA MET 24 HA MET 24 19.502 11.375 -14.196 180 1HB MET 24 HB2 MET 24 18.349 8.539 -13.898 181 2HB MET 24 HB3 MET 24 17.443 9.998 -14.300 182 1HG MET 24 HG2 MET 24 18.859 10.267 -16.331 183 2HG MET 24 HG3 MET 24 19.646 8.728 -15.930 184 1HE MET 24 HE1 MET 24 18.445 9.194 -18.767 185 2HE MET 24 HE2 MET 24 19.125 7.631 -18.255 186 3HE MET 24 HE3 MET 24 17.530 7.694 -19.035 187 H LEU 25 H LEU 25 19.463 8.711 -11.819 188 HA LEU 25 HA LEU 25 17.727 10.202 -10.050 189 1HB LEU 25 HB2 LEU 25 19.502 7.824 -9.410 190 2HB LEU 25 HB3 LEU 25 18.212 8.463 -8.394 191 HG LEU 25 HG LEU 25 17.983 7.013 -11.057 192 1HD1 LEU 25 HD11 LEU 25 18.208 5.662 -9.027 193 2HD1 LEU 25 HD12 LEU 25 16.856 6.529 -8.273 194 3HD1 LEU 25 HD13 LEU 25 16.579 5.500 -9.698 195 1HD2 LEU 25 HD21 LEU 25 16.405 8.777 -11.334 196 2HD2 LEU 25 HD22 LEU 25 15.474 7.376 -10.801 197 3HD2 LEU 25 HD23 LEU 25 15.870 8.671 -9.635 198 H SER 26 H SER 26 21.288 9.885 -10.362 199 HA SER 26 HA SER 26 21.913 11.127 -7.895 200 1HB SER 26 HB2 SER 26 23.446 11.249 -10.528 201 2HB SER 26 HB3 SER 26 24.078 11.687 -8.931 202 HG SER 26 HG SER 26 23.229 9.144 -9.863 203 H MET 27 H MET 27 21.442 12.638 -11.177 204 HA MET 27 HA MET 27 21.766 15.256 -10.061 205 1HB MET 27 HB2 MET 27 21.168 16.162 -12.161 206 2HB MET 27 HB3 MET 27 22.209 14.770 -12.403 207 1HG MET 27 HG2 MET 27 20.633 14.628 -14.099 208 2HG MET 27 HG3 MET 27 20.111 13.431 -12.931 209 1HE MET 27 HE1 MET 27 18.267 14.252 -15.281 210 2HE MET 27 HE2 MET 27 17.737 13.168 -13.973 211 3HE MET 27 HE3 MET 27 16.711 14.530 -14.468 212 H LEU 28 H LEU 28 18.881 13.159 -10.348 213 HA LEU 28 HA LEU 28 17.051 15.269 -9.658 214 1HB LEU 28 HB2 LEU 28 16.856 12.253 -9.371 215 2HB LEU 28 HB3 LEU 28 15.560 13.344 -8.895 216 HG LEU 28 HG LEU 28 16.690 13.151 -11.708 217 1HD1 LEU 28 HD11 LEU 28 14.050 12.124 -10.598 218 2HD1 LEU 28 HD12 LEU 28 14.611 12.003 -12.281 219 3HD1 LEU 28 HD13 LEU 28 15.456 11.115 -11.008 220 1HD2 LEU 28 HD21 LEU 28 14.308 14.705 -10.625 221 2HD2 LEU 28 HD22 LEU 28 15.776 15.379 -11.372 222 3HD2 LEU 28 HD23 LEU 28 14.656 14.446 -12.350 223 H PHE 29 H PHE 29 18.519 12.720 -7.570 224 HA PHE 29 HA PHE 29 17.269 13.942 -5.249 225 1HB PHE 29 HB2 PHE 29 19.221 11.647 -5.638 226 2HB PHE 29 HB3 PHE 29 18.791 12.256 -4.045 227 HD1 PHE 29 HD1 PHE 29 16.849 11.669 -2.927 228 HD2 PHE 29 HD2 PHE 29 17.236 10.734 -7.111 229 HE1 PHE 29 HE1 PHE 29 14.773 10.317 -2.811 230 HE2 PHE 29 HE2 PHE 29 15.185 9.364 -6.991 231 HZ PHE 29 HZ PHE 29 13.931 9.181 -4.849 232 H ASN 30 H ASN 30 20.499 14.357 -6.709 233 HA ASN 30 HA ASN 30 21.829 15.199 -4.384 234 1HB ASN 30 HB2 ASN 30 22.980 14.555 -6.377 235 2HB ASN 30 HB3 ASN 30 22.326 15.958 -7.255 236 1HD2 ASN 30 HD22 ASN 30 23.864 17.596 -7.453 237 2HD2 ASN 30 HD21 ASN 30 25.110 17.931 -6.284 238 H GLN 31 H GLN 31 19.317 16.901 -6.035 239 HA GLN 31 HA GLN 31 20.056 19.575 -5.496 240 1HB GLN 31 HB2 GLN 31 17.752 20.126 -5.784 241 2HB GLN 31 HB3 GLN 31 18.149 18.854 -6.940 242 1HG GLN 31 HG2 GLN 31 17.117 17.179 -5.348 243 2HG GLN 31 HG3 GLN 31 16.643 18.516 -4.308 244 1HE2 GLN 31 HE22 GLN 31 15.839 16.755 -7.189 245 2HE2 GLN 31 HE21 GLN 31 14.399 17.674 -7.614 246 H PHE 32 H PHE 32 18.980 16.985 -3.331 247 HA PHE 32 HA PHE 32 18.205 18.855 -1.210 248 1HB PHE 32 HB2 PHE 32 18.486 15.836 -1.118 249 2HB PHE 32 HB3 PHE 32 17.640 16.852 0.047 250 HD1 PHE 32 HD1 PHE 32 15.754 18.480 -1.192 251 HD2 PHE 32 HD2 PHE 32 17.145 14.655 -2.610 252 HE1 PHE 32 HE1 PHE 32 13.751 18.273 -2.647 253 HE2 PHE 32 HE2 PHE 32 15.153 14.445 -4.036 254 HZ PHE 32 HZ PHE 32 13.483 16.273 -4.116 255 HA PRO 33 HA PRO 33 22.400 19.013 0.246 256 1HB PRO 33 HB2 PRO 33 22.125 20.313 2.628 257 2HB PRO 33 HB3 PRO 33 21.693 21.059 1.069 258 1HG PRO 33 HG2 PRO 33 19.829 19.655 3.012 259 2HG PRO 33 HG3 PRO 33 19.645 21.286 2.291 260 1HD PRO 33 HD2 PRO 33 18.441 19.082 1.216 261 2HD PRO 33 HD3 PRO 33 19.081 20.402 0.190 262 H GLY 34 H GLY 34 21.452 16.420 0.450 263 1HA GLY 34 HA2 GLY 34 22.901 15.395 2.797 264 2HA GLY 34 HA3 GLY 34 21.175 15.003 2.702 265 H PHE 35 H PHE 35 21.890 14.989 -0.541 266 HA PHE 35 HA PHE 35 21.803 12.234 -0.838 267 1HB PHE 35 HB2 PHE 35 21.208 13.842 -2.542 268 2HB PHE 35 HB3 PHE 35 22.825 14.540 -2.527 269 HD1 PHE 35 HD1 PHE 35 24.672 13.541 -3.744 270 HD2 PHE 35 HD2 PHE 35 20.792 11.656 -3.668 271 HE1 PHE 35 HE1 PHE 35 25.330 12.079 -5.646 272 HE2 PHE 35 HE2 PHE 35 21.447 10.231 -5.573 273 HZ PHE 35 HZ PHE 35 23.713 10.445 -6.561 274 H LYS 36 H LYS 36 23.347 10.750 -1.470 275 HA LYS 36 HA LYS 36 26.234 11.453 -1.199 276 1HB LYS 36 HB2 LYS 36 24.956 8.917 -0.107 277 2HB LYS 36 HB3 LYS 36 26.671 9.212 -0.171 278 1HG LYS 36 HG2 LYS 36 24.916 11.093 1.425 279 2HG LYS 36 HG3 LYS 36 25.275 9.473 2.025 280 1HD LYS 36 HD2 LYS 36 26.820 11.028 3.015 281 2HD LYS 36 HD3 LYS 36 27.646 9.864 1.989 282 1HE LYS 36 HE2 LYS 36 28.668 11.945 1.583 283 2HE LYS 36 HE3 LYS 36 27.690 11.566 0.154 284 1HZ LYS 36 HZ1 LYS 36 26.668 13.309 2.323 285 2HZ LYS 36 HZ2 LYS 36 27.561 13.919 1.083 286 3HZ LYS 36 HZ3 LYS 36 26.127 13.203 0.776 287 H GLU 37 H GLU 37 23.920 8.818 -2.250 288 HA GLU 37 HA GLU 37 25.447 8.613 -4.759 289 1HB GLU 37 HB2 GLU 37 26.617 7.357 -2.672 290 2HB GLU 37 HB3 GLU 37 25.440 6.108 -3.060 291 1HG GLU 37 HG2 GLU 37 26.353 6.000 -5.377 292 2HG GLU 37 HG3 GLU 37 27.430 7.344 -5.021 293 H VAL 38 H VAL 38 24.726 6.635 -6.036 294 HA VAL 38 HA VAL 38 21.954 5.725 -5.530 295 HB VAL 38 HB VAL 38 23.129 6.773 -8.142 296 1HG1 VAL 38 HG11 VAL 38 21.717 4.805 -8.663 297 2HG1 VAL 38 HG12 VAL 38 20.381 5.513 -7.721 298 3HG1 VAL 38 HG13 VAL 38 20.979 6.282 -9.213 299 1HG2 VAL 38 HG21 VAL 38 21.264 8.376 -8.081 300 2HG2 VAL 38 HG22 VAL 38 20.791 7.771 -6.478 301 3HG2 VAL 38 HG23 VAL 38 22.360 8.567 -6.730 302 H ARG 39 H ARG 39 21.599 3.616 -6.304 303 HA ARG 39 HA ARG 39 23.814 2.146 -7.631 304 1HB ARG 39 HB2 ARG 39 23.987 1.498 -5.298 305 2HB ARG 39 HB3 ARG 39 22.249 1.251 -5.188 306 1HG ARG 39 HG2 ARG 39 22.435 -0.640 -6.837 307 2HG ARG 39 HG3 ARG 39 24.197 -0.416 -6.833 308 1HD ARG 39 HD2 ARG 39 24.249 -0.895 -4.410 309 2HD ARG 39 HD3 ARG 39 22.485 -0.995 -4.378 310 HE ARG 39 HE ARG 39 24.188 -2.835 -6.012 311 1HH1 ARG 39 HH21 ARG 39 21.574 -2.457 -3.621 312 2HH1 ARG 39 HH22 ARG 39 21.221 -4.140 -3.548 313 1HH2 ARG 39 HH11 ARG 39 23.682 -5.061 -5.930 314 2HH2 ARG 39 HH12 ARG 39 22.438 -5.646 -4.896 315 H LEU 40 H LEU 40 22.801 2.198 -9.601 316 HA LEU 40 HA LEU 40 19.959 1.648 -9.997 317 1HB LEU 40 HB2 LEU 40 22.125 2.704 -11.546 318 2HB LEU 40 HB3 LEU 40 21.776 1.153 -12.264 319 HG LEU 40 HG LEU 40 20.628 2.929 -13.399 320 1HD1 LEU 40 HD11 LEU 40 18.520 1.325 -11.902 321 2HD1 LEU 40 HD12 LEU 40 18.390 2.076 -13.495 322 3HD1 LEU 40 HD13 LEU 40 19.498 0.723 -13.281 323 1HD2 LEU 40 HD21 LEU 40 20.409 4.537 -11.535 324 2HD2 LEU 40 HD22 LEU 40 18.899 4.320 -12.416 325 3HD2 LEU 40 HD23 LEU 40 19.117 3.557 -10.831 326 H VAL 41 H VAL 41 19.400 -0.278 -11.342 327 HA VAL 41 HA VAL 41 21.123 -2.670 -10.860 328 HB VAL 41 HB VAL 41 18.092 -2.637 -10.871 329 1HG1 VAL 41 HG11 VAL 41 18.377 -5.007 -10.136 330 2HG1 VAL 41 HG12 VAL 41 19.061 -4.741 -11.741 331 3HG1 VAL 41 HG13 VAL 41 20.132 -4.851 -10.325 332 1HG2 VAL 41 HG21 VAL 41 18.853 -1.647 -8.771 333 2HG2 VAL 41 HG22 VAL 41 18.333 -3.301 -8.456 334 3HG2 VAL 41 HG23 VAL 41 20.065 -2.929 -8.557 335 HA PRO 42 HA PRO 42 20.722 -1.418 -15.199 336 1HB PRO 42 HB2 PRO 42 23.280 -1.914 -16.110 337 2HB PRO 42 HB3 PRO 42 22.857 -0.524 -15.071 338 1HG PRO 42 HG2 PRO 42 23.917 -3.232 -14.186 339 2HG PRO 42 HG3 PRO 42 24.569 -1.607 -13.782 340 1HD PRO 42 HD2 PRO 42 22.881 -2.888 -12.099 341 2HD PRO 42 HD3 PRO 42 22.730 -1.122 -12.369 342 H ASN 43 H ASN 43 19.950 -3.970 -14.161 343 HA ASN 43 HA ASN 43 19.764 -5.384 -16.684 344 1HB ASN 43 HB2 ASN 43 19.895 -7.582 -15.703 345 2HB ASN 43 HB3 ASN 43 21.362 -6.705 -15.304 346 1HD2 ASN 43 HD22 ASN 43 21.841 -6.331 -13.080 347 2HD2 ASN 43 HD21 ASN 43 20.819 -6.904 -11.788 348 H ARG 44 H ARG 44 18.204 -3.735 -14.202 349 HA ARG 44 HA ARG 44 15.588 -4.885 -15.050 350 1HB ARG 44 HB2 ARG 44 16.666 -4.179 -12.315 351 2HB ARG 44 HB3 ARG 44 14.983 -3.854 -12.637 352 1HG ARG 44 HG2 ARG 44 16.246 -6.590 -13.095 353 2HG ARG 44 HG3 ARG 44 15.509 -6.119 -11.570 354 1HD ARG 44 HD2 ARG 44 14.074 -6.199 -14.249 355 2HD ARG 44 HD3 ARG 44 13.956 -7.430 -12.992 356 HE ARG 44 HE ARG 44 12.922 -4.629 -12.925 357 1HH1 ARG 44 HH21 ARG 44 12.972 -7.793 -11.296 358 2HH1 ARG 44 HH22 ARG 44 11.625 -7.427 -10.282 359 1HH2 ARG 44 HH11 ARG 44 11.144 -4.168 -11.690 360 2HH2 ARG 44 HH12 ARG 44 10.556 -5.298 -10.502 361 H HIS 45 H HIS 45 17.356 -2.029 -13.853 362 HA HIS 45 HA HIS 45 17.265 0.115 -14.178 363 1HB HIS 45 HB2 HIS 45 15.614 -0.353 -16.675 364 2HB HIS 45 HB3 HIS 45 16.537 1.081 -16.263 365 HD1 HIS 45 HD1 HIS 45 16.974 -2.302 -17.877 366 HD2 HIS 45 HD2 HIS 45 19.289 0.865 -16.354 367 HE1 HIS 45 HE1 HIS 45 19.333 -2.638 -18.777 368 H ASP 46 H ASP 46 14.071 -1.443 -14.187 369 HA ASP 46 HA ASP 46 12.605 1.006 -13.679 370 1HB ASP 46 HB2 ASP 46 10.689 -0.346 -13.534 371 2HB ASP 46 HB3 ASP 46 11.658 -1.025 -14.842 372 H ILE 47 H ILE 47 14.691 -0.840 -11.774 373 HA ILE 47 HA ILE 47 13.556 0.337 -9.311 374 HB ILE 47 HB ILE 47 14.230 -1.630 -8.080 375 1HG1 ILE 47 HG12 ILE 47 15.591 -2.379 -10.680 376 2HG1 ILE 47 HG13 ILE 47 16.234 -2.311 -9.039 377 1HG2 ILE 47 HG21 ILE 47 12.603 -3.201 -8.819 378 2HG2 ILE 47 HG22 ILE 47 12.012 -1.614 -9.340 379 3HG2 ILE 47 HG23 ILE 47 12.765 -2.696 -10.513 380 1HD1 ILE 47 HD11 ILE 47 14.895 -4.342 -8.499 381 2HD1 ILE 47 HD12 ILE 47 14.412 -4.386 -10.233 382 3HD1 ILE 47 HD13 ILE 47 16.117 -4.565 -9.786 383 H ALA 48 H ALA 48 15.212 0.683 -7.625 384 HA ALA 48 HA ALA 48 18.034 0.621 -8.217 385 1HB ALA 48 HB1 ALA 48 16.716 3.381 -8.148 386 2HB ALA 48 HB2 ALA 48 18.446 3.040 -8.323 387 3HB ALA 48 HB3 ALA 48 17.331 2.615 -9.628 388 H PHE 49 H PHE 49 19.187 2.077 -6.477 389 HA PHE 49 HA PHE 49 17.586 2.397 -4.029 390 1HB PHE 49 HB2 PHE 49 20.410 1.268 -4.108 391 2HB PHE 49 HB3 PHE 49 19.528 1.691 -2.666 392 HD1 PHE 49 HD1 PHE 49 19.518 -0.669 -5.589 393 HD2 PHE 49 HD2 PHE 49 18.208 0.080 -1.543 394 HE1 PHE 49 HE1 PHE 49 18.743 -3.019 -5.402 395 HE2 PHE 49 HE2 PHE 49 17.484 -2.286 -1.345 396 HZ PHE 49 HZ PHE 49 17.743 -3.838 -3.274 397 H VAL 50 H VAL 50 18.465 4.142 -2.688 398 HA VAL 50 HA VAL 50 20.535 5.880 -3.931 399 HB VAL 50 HB VAL 50 17.811 6.838 -2.944 400 1HG1 VAL 50 HG11 VAL 50 19.587 8.512 -2.590 401 2HG1 VAL 50 HG12 VAL 50 20.087 8.364 -4.285 402 3HG1 VAL 50 HG13 VAL 50 18.490 9.023 -3.877 403 1HG2 VAL 50 HG21 VAL 50 17.508 5.730 -5.100 404 2HG2 VAL 50 HG22 VAL 50 17.352 7.476 -5.294 405 3HG2 VAL 50 HG23 VAL 50 18.846 6.651 -5.802 406 H GLU 51 H GLU 51 21.715 7.078 -2.330 407 HA GLU 51 HA GLU 51 21.316 6.184 0.494 408 1HB GLU 51 HB2 GLU 51 23.069 4.850 -0.546 409 2HB GLU 51 HB3 GLU 51 23.849 6.294 -1.201 410 1HG GLU 51 HG2 GLU 51 24.438 7.070 1.055 411 2HG GLU 51 HG3 GLU 51 23.544 5.732 1.779 412 H PHE 52 H PHE 52 21.601 7.719 2.006 413 HA PHE 52 HA PHE 52 22.397 10.474 1.199 414 1HB PHE 52 HB2 PHE 52 19.980 9.386 2.619 415 2HB PHE 52 HB3 PHE 52 20.628 10.890 3.201 416 HD1 PHE 52 HD1 PHE 52 19.728 9.343 -0.142 417 HD2 PHE 52 HD2 PHE 52 19.818 12.861 2.344 418 HE1 PHE 52 HE1 PHE 52 18.763 10.676 -1.985 419 HE2 PHE 52 HE2 PHE 52 18.797 14.180 0.516 420 HZ PHE 52 HZ PHE 52 18.334 13.103 -1.678 421 H THR 53 H THR 53 22.934 11.809 3.045 422 HA THR 53 HA THR 53 24.993 10.716 4.706 423 HB THR 53 HB THR 53 23.482 13.373 4.785 424 HG1 THR 53 HG1 THR 53 24.401 13.190 2.842 425 1HG2 THR 53 HG21 THR 53 24.656 13.055 6.863 426 2HG2 THR 53 HG22 THR 53 26.147 12.581 6.010 427 3HG2 THR 53 HG23 THR 53 25.526 14.251 5.882 428 H THR 54 H THR 54 21.670 11.928 5.351 429 HA THR 54 HA THR 54 21.720 10.641 8.013 430 HB THR 54 HB THR 54 20.208 12.912 8.352 431 HG1 THR 54 HG1 THR 54 21.552 14.606 7.568 432 1HG2 THR 54 HG21 THR 54 23.213 12.636 8.757 433 2HG2 THR 54 HG22 THR 54 22.151 13.814 9.567 434 3HG2 THR 54 HG23 THR 54 21.939 12.085 9.870 435 H GLU 55 H GLU 55 19.996 9.698 8.618 436 HA GLU 55 HA GLU 55 18.276 8.597 6.696 437 1HB GLU 55 HB2 GLU 55 17.629 8.605 9.663 438 2HB GLU 55 HB3 GLU 55 17.240 7.390 8.440 439 1HG GLU 55 HG2 GLU 55 19.913 7.336 8.198 440 2HG GLU 55 HG3 GLU 55 19.851 7.938 9.840 441 H LEU 56 H LEU 56 17.752 11.383 8.795 442 HA LEU 56 HA LEU 56 14.943 11.721 8.230 443 1HB LEU 56 HB2 LEU 56 17.140 13.443 9.394 444 2HB LEU 56 HB3 LEU 56 15.647 14.202 8.852 445 HG LEU 56 HG LEU 56 14.297 12.788 10.324 446 1HD1 LEU 56 HD11 LEU 56 15.373 11.447 12.126 447 2HD1 LEU 56 HD12 LEU 56 15.652 10.759 10.528 448 3HD1 LEU 56 HD13 LEU 56 16.950 11.670 11.337 449 1HD2 LEU 56 HD21 LEU 56 16.578 14.205 11.768 450 2HD2 LEU 56 HD22 LEU 56 15.122 14.978 11.104 451 3HD2 LEU 56 HD23 LEU 56 14.976 13.834 12.445 452 H GLN 57 H GLN 57 17.923 12.586 6.471 453 HA GLN 57 HA GLN 57 16.471 14.469 4.754 454 1HB GLN 57 HB2 GLN 57 19.348 13.483 4.621 455 2HB GLN 57 HB3 GLN 57 18.596 14.676 3.549 456 1HG GLN 57 HG2 GLN 57 17.950 15.921 5.775 457 2HG GLN 57 HG3 GLN 57 19.216 14.933 6.502 458 1HE2 GLN 57 HE22 GLN 57 21.471 15.202 5.591 459 2HE2 GLN 57 HE21 GLN 57 21.862 16.676 4.692 460 H SER 58 H SER 58 17.661 11.005 4.489 461 HA SER 58 HA SER 58 16.751 10.742 1.785 462 1HB SER 58 HB2 SER 58 16.338 8.278 2.697 463 2HB SER 58 HB3 SER 58 17.950 8.896 2.365 464 HG SER 58 HG SER 58 17.197 7.850 4.547 465 H ASN 59 H ASN 59 15.092 10.431 4.973 466 HA ASN 59 HA ASN 59 12.504 9.895 3.996 467 1HB ASN 59 HB2 ASN 59 12.510 9.752 6.269 468 2HB ASN 59 HB3 ASN 59 13.649 11.052 6.484 469 1HD2 ASN 59 HD22 ASN 59 12.907 13.223 6.700 470 2HD2 ASN 59 HD21 ASN 59 11.212 13.574 6.979 471 H ALA 60 H ALA 60 14.023 13.123 4.412 472 HA ALA 60 HA ALA 60 11.744 14.543 3.484 473 1HB ALA 60 HB1 ALA 60 14.672 15.360 3.258 474 2HB ALA 60 HB2 ALA 60 13.261 16.430 3.156 475 3HB ALA 60 HB3 ALA 60 13.631 15.606 4.684 476 H ALA 61 H ALA 61 14.528 13.244 1.671 477 HA ALA 61 HA ALA 61 13.715 14.269 -0.871 478 1HB ALA 61 HB1 ALA 61 16.008 13.485 -0.340 479 2HB ALA 61 HB2 ALA 61 15.410 11.808 -0.261 480 3HB ALA 61 HB3 ALA 61 15.319 12.722 -1.785 481 H LYS 62 H LYS 62 13.006 11.173 0.801 482 HA LYS 62 HA LYS 62 11.518 9.922 -1.265 483 1HB LYS 62 HB2 LYS 62 12.296 8.713 0.647 484 2HB LYS 62 HB3 LYS 62 11.459 9.743 1.776 485 1HG LYS 62 HG2 LYS 62 10.033 7.868 -0.147 486 2HG LYS 62 HG3 LYS 62 10.535 7.454 1.494 487 1HD LYS 62 HD2 LYS 62 9.140 9.523 2.247 488 2HD LYS 62 HD3 LYS 62 8.406 9.425 0.633 489 1HE LYS 62 HE2 LYS 62 7.903 6.962 1.170 490 2HE LYS 62 HE3 LYS 62 8.377 7.335 2.833 491 1HZ LYS 62 HZ1 LYS 62 6.044 7.625 2.687 492 2HZ LYS 62 HZ2 LYS 62 6.661 9.171 2.705 493 3HZ LYS 62 HZ3 LYS 62 6.145 8.517 1.302 494 H GLU 63 H GLU 63 10.379 12.055 1.435 495 HA GLU 63 HA GLU 63 7.678 12.122 0.601 496 1HB GLU 63 HB2 GLU 63 9.370 14.177 2.085 497 2HB GLU 63 HB3 GLU 63 7.629 14.321 1.889 498 1HG GLU 63 HG2 GLU 63 8.993 11.972 3.273 499 2HG GLU 63 HG3 GLU 63 8.385 13.396 4.099 500 H ALA 64 H ALA 64 10.445 14.108 -0.402 501 HA ALA 64 HA ALA 64 8.966 16.027 -1.885 502 1HB ALA 64 HB1 ALA 64 11.170 16.672 -2.755 503 2HB ALA 64 HB2 ALA 64 11.258 16.366 -1.006 504 3HB ALA 64 HB3 ALA 64 11.868 15.154 -2.159 505 H LEU 65 H LEU 65 10.532 12.943 -2.927 506 HA LEU 65 HA LEU 65 9.679 13.552 -5.724 507 1HB LEU 65 HB2 LEU 65 11.960 11.842 -4.686 508 2HB LEU 65 HB3 LEU 65 11.487 11.967 -6.375 509 HG LEU 65 HG LEU 65 12.597 14.205 -4.663 510 1HD1 LEU 65 HD11 LEU 65 13.689 12.723 -7.099 511 2HD1 LEU 65 HD12 LEU 65 14.482 14.088 -6.286 512 3HD1 LEU 65 HD13 LEU 65 14.253 12.556 -5.427 513 1HD2 LEU 65 HD21 LEU 65 10.997 15.224 -6.216 514 2HD2 LEU 65 HD22 LEU 65 12.635 15.548 -6.772 515 3HD2 LEU 65 HD23 LEU 65 11.673 14.288 -7.571 516 H GLN 66 H GLN 66 8.615 11.487 -3.217 517 HA GLN 66 HA GLN 66 7.944 9.214 -4.792 518 1HB GLN 66 HB2 GLN 66 6.640 10.561 -2.420 519 2HB GLN 66 HB3 GLN 66 5.695 9.396 -3.352 520 1HG GLN 66 HG2 GLN 66 7.541 7.720 -3.097 521 2HG GLN 66 HG3 GLN 66 8.338 8.820 -1.974 522 1HE2 GLN 66 HE22 GLN 66 7.103 6.039 -1.519 523 2HE2 GLN 66 HE21 GLN 66 5.857 6.282 -0.331 524 H GLY 67 H GLY 67 6.762 8.951 -6.544 525 1HA GLY 67 HA2 GLY 67 4.992 9.165 -7.999 526 2HA GLY 67 HA3 GLY 67 4.431 10.616 -7.167 527 H PHE 68 H PHE 68 7.763 11.061 -7.794 528 HA PHE 68 HA PHE 68 7.215 13.140 -9.684 529 1HB PHE 68 HB2 PHE 68 9.054 13.220 -8.046 530 2HB PHE 68 HB3 PHE 68 9.811 11.812 -8.783 531 HD1 PHE 68 HD1 PHE 68 11.074 11.989 -10.865 532 HD2 PHE 68 HD2 PHE 68 9.099 15.430 -9.167 533 HE1 PHE 68 HE1 PHE 68 12.364 13.478 -12.370 534 HE2 PHE 68 HE2 PHE 68 10.404 16.915 -10.667 535 HZ PHE 68 HZ PHE 68 12.039 15.942 -12.273 536 H LYS 69 H LYS 69 6.928 12.933 -11.847 537 HA LYS 69 HA LYS 69 7.429 10.463 -13.294 538 1HB LYS 69 HB2 LYS 69 6.470 13.214 -14.019 539 2HB LYS 69 HB3 LYS 69 7.382 12.362 -15.262 540 1HG LYS 69 HG2 LYS 69 5.119 11.867 -15.654 541 2HG LYS 69 HG3 LYS 69 5.914 10.408 -15.080 542 1HD LYS 69 HD2 LYS 69 4.985 10.903 -12.764 543 2HD LYS 69 HD3 LYS 69 4.006 12.178 -13.497 544 1HE LYS 69 HE2 LYS 69 4.033 9.246 -14.371 545 2HE LYS 69 HE3 LYS 69 2.877 9.918 -13.207 546 1HZ LYS 69 HZ1 LYS 69 3.073 10.581 -16.083 547 2HZ LYS 69 HZ2 LYS 69 1.826 9.900 -15.297 548 3HZ LYS 69 HZ3 LYS 69 2.168 11.466 -15.021 549 H ILE 70 H ILE 70 9.427 9.697 -13.469 550 HA ILE 70 HA ILE 70 11.799 11.421 -13.775 551 HB ILE 70 HB ILE 70 11.376 8.453 -14.232 552 1HG1 ILE 70 HG12 ILE 70 12.829 9.865 -11.949 553 2HG1 ILE 70 HG13 ILE 70 11.138 9.389 -11.846 554 1HG2 ILE 70 HG21 ILE 70 13.277 9.361 -15.565 555 2HG2 ILE 70 HG22 ILE 70 13.933 10.128 -14.107 556 3HG2 ILE 70 HG23 ILE 70 13.878 8.359 -14.241 557 1HD1 ILE 70 HD11 ILE 70 11.707 7.038 -12.184 558 2HD1 ILE 70 HD12 ILE 70 13.440 7.449 -12.276 559 3HD1 ILE 70 HD13 ILE 70 12.534 7.728 -10.786 560 H THR 71 H THR 71 9.592 9.403 -15.840 561 HA THR 71 HA THR 71 9.846 11.387 -17.972 562 HB THR 71 HB THR 71 9.739 9.496 -19.650 563 HG1 THR 71 HG1 THR 71 10.751 7.541 -18.896 564 1HG2 THR 71 HG21 THR 71 11.854 10.780 -19.216 565 2HG2 THR 71 HG22 THR 71 12.328 9.533 -18.040 566 3HG2 THR 71 HG23 THR 71 12.137 9.119 -19.756 567 HA PRO 72 HA PRO 72 5.662 11.721 -17.910 568 1HB PRO 72 HB2 PRO 72 5.318 10.360 -20.591 569 2HB PRO 72 HB3 PRO 72 4.510 11.839 -19.972 570 1HG PRO 72 HG2 PRO 72 6.673 12.090 -21.561 571 2HG PRO 72 HG3 PRO 72 6.559 13.086 -20.072 572 1HD PRO 72 HD2 PRO 72 8.138 10.565 -20.543 573 2HD PRO 72 HD3 PRO 72 8.617 12.050 -19.668 574 H THR 73 H THR 73 6.493 8.333 -18.415 575 HA THR 73 HA THR 73 3.858 7.555 -17.283 576 HB THR 73 HB THR 73 5.437 5.725 -19.089 577 HG1 THR 73 HG1 THR 73 4.612 6.634 -20.898 578 1HG2 THR 73 HG21 THR 73 3.347 4.877 -18.033 579 2HG2 THR 73 HG22 THR 73 2.436 6.224 -18.744 580 3HG2 THR 73 HG23 THR 73 3.171 4.985 -19.786 581 H HIS 74 H HIS 74 6.712 8.077 -16.091 582 HA HIS 74 HA HIS 74 6.848 5.545 -14.521 583 1HB HIS 74 HB2 HIS 74 9.205 7.042 -15.710 584 2HB HIS 74 HB3 HIS 74 9.269 5.636 -14.637 585 HD1 HIS 74 HD1 HIS 74 9.055 6.496 -18.236 586 HD2 HIS 74 HD2 HIS 74 8.044 3.287 -15.711 587 HE1 HIS 74 HE1 HIS 74 8.652 4.476 -19.763 588 H ALA 75 H ALA 75 5.476 6.868 -13.185 589 HA ALA 75 HA ALA 75 6.571 9.070 -11.639 590 1HB ALA 75 HB1 ALA 75 4.135 8.719 -11.790 591 2HB ALA 75 HB2 ALA 75 4.298 7.111 -11.053 592 3HB ALA 75 HB3 ALA 75 4.683 8.568 -10.120 593 H MET 76 H MET 76 8.450 8.671 -10.640 594 HA MET 76 HA MET 76 9.645 6.403 -9.684 595 1HB MET 76 HB2 MET 76 10.559 8.719 -9.824 596 2HB MET 76 HB3 MET 76 9.579 9.195 -8.444 597 1HG MET 76 HG2 MET 76 10.775 7.444 -7.089 598 2HG MET 76 HG3 MET 76 11.847 7.177 -8.466 599 1HE MET 76 HE1 MET 76 13.549 9.139 -9.410 600 2HE MET 76 HE2 MET 76 12.195 10.287 -9.552 601 3HE MET 76 HE3 MET 76 13.661 10.743 -8.662 602 H LYS 77 H LYS 77 8.816 4.815 -8.334 603 HA LYS 77 HA LYS 77 7.153 5.658 -6.026 604 1HB LYS 77 HB2 LYS 77 6.465 3.690 -7.512 605 2HB LYS 77 HB3 LYS 77 7.893 2.834 -6.903 606 1HG LYS 77 HG2 LYS 77 7.039 3.113 -4.580 607 2HG LYS 77 HG3 LYS 77 5.675 4.050 -5.197 608 1HD LYS 77 HD2 LYS 77 4.866 1.870 -4.691 609 2HD LYS 77 HD3 LYS 77 4.898 2.006 -6.459 610 1HE LYS 77 HE2 LYS 77 6.996 0.734 -6.554 611 2HE LYS 77 HE3 LYS 77 7.130 0.764 -4.797 612 1HZ LYS 77 HZ1 LYS 77 5.126 -0.744 -6.364 613 2HZ LYS 77 HZ2 LYS 77 6.325 -1.342 -5.408 614 3HZ LYS 77 HZ3 LYS 77 5.051 -0.578 -4.738 615 H ILE 78 H ILE 78 8.050 5.394 -3.941 616 HA ILE 78 HA ILE 78 10.920 4.664 -3.746 617 HB ILE 78 HB ILE 78 9.713 7.092 -2.385 618 1HG1 ILE 78 HG12 ILE 78 11.427 7.139 -4.898 619 2HG1 ILE 78 HG13 ILE 78 9.735 7.610 -4.787 620 1HG2 ILE 78 HG21 ILE 78 11.996 7.669 -1.782 621 2HG2 ILE 78 HG22 ILE 78 11.673 6.040 -1.254 622 3HG2 ILE 78 HG23 ILE 78 12.624 6.310 -2.726 623 1HD1 ILE 78 HD11 ILE 78 11.036 9.594 -4.825 624 2HD1 ILE 78 HD12 ILE 78 10.385 9.421 -3.187 625 3HD1 ILE 78 HD13 ILE 78 12.090 9.047 -3.522 626 H THR 79 H THR 79 11.366 3.675 -1.830 627 HA THR 79 HA THR 79 9.435 3.603 0.381 628 HB THR 79 HB THR 79 10.221 1.020 0.420 629 HG1 THR 79 HG1 THR 79 11.181 1.581 -1.845 630 1HG2 THR 79 HG21 THR 79 7.923 1.977 -1.335 631 2HG2 THR 79 HG22 THR 79 8.081 0.387 -0.558 632 3HG2 THR 79 HG23 THR 79 7.868 1.834 0.436 633 H PHE 80 H PHE 80 10.633 2.846 2.373 634 HA PHE 80 HA PHE 80 13.404 3.857 2.343 635 1HB PHE 80 HB2 PHE 80 11.594 2.711 4.490 636 2HB PHE 80 HB3 PHE 80 13.268 3.154 4.779 637 HD1 PHE 80 HD1 PHE 80 9.867 4.420 4.350 638 HD2 PHE 80 HD2 PHE 80 14.022 5.564 4.516 639 HE1 PHE 80 HE1 PHE 80 9.204 6.767 4.788 640 HE2 PHE 80 HE2 PHE 80 13.360 7.907 4.889 641 HZ PHE 80 HZ PHE 80 10.931 8.519 5.035 642 H ALA 81 H ALA 81 15.210 2.526 2.411 643 HA ALA 81 HA ALA 81 14.837 -0.359 1.902 644 1HB ALA 81 HB1 ALA 81 17.264 -0.438 1.766 645 2HB ALA 81 HB2 ALA 81 16.684 0.916 0.786 646 3HB ALA 81 HB3 ALA 81 17.404 1.212 2.388 647 H LYS 82 H LYS 82 16.404 -1.712 3.474 648 HA LYS 82 HA LYS 82 15.663 -0.986 6.294 649 1HB LYS 82 HB2 LYS 82 15.305 -3.631 4.845 650 2HB LYS 82 HB3 LYS 82 15.102 -3.400 6.586 651 1HG LYS 82 HG2 LYS 82 13.229 -1.875 6.247 652 2HG LYS 82 HG3 LYS 82 13.471 -1.873 4.498 653 1HD LYS 82 HD2 LYS 82 13.025 -4.302 4.392 654 2HD LYS 82 HD3 LYS 82 12.735 -4.332 6.144 655 1HE LYS 82 HE2 LYS 82 10.813 -2.863 5.911 656 2HE LYS 82 HE3 LYS 82 11.167 -2.581 4.198 657 1HZ LYS 82 HZ1 LYS 82 10.409 -5.219 5.322 658 2HZ LYS 82 HZ2 LYS 82 9.397 -4.205 4.520 659 3HZ LYS 82 HZ3 LYS 82 10.636 -4.861 3.724 660 H LYS 83 H LYS 83 17.769 -0.258 6.725 661 HA LYS 83 HA LYS 83 20.140 -1.886 6.411 662 1HB LYS 83 HB2 LYS 83 19.359 0.414 8.246 663 2HB LYS 83 HB3 LYS 83 20.894 -0.439 8.424 664 1HG LYS 83 HG2 LYS 83 21.695 0.217 6.302 665 2HG LYS 83 HG3 LYS 83 20.101 0.700 5.727 666 1HD LYS 83 HD2 LYS 83 21.597 2.608 6.201 667 2HD LYS 83 HD3 LYS 83 20.070 2.657 7.098 668 1HE LYS 83 HE2 LYS 83 21.269 1.759 9.109 669 2HE LYS 83 HE3 LYS 83 22.792 1.846 8.211 670 1HZ LYS 83 HZ1 LYS 83 22.378 3.789 9.627 671 2HZ LYS 83 HZ2 LYS 83 22.510 4.241 8.064 672 3HZ LYS 83 HZ3 LYS 83 21.017 4.160 8.792 Start of MODEL 10 1 1H ALA 1 H1 ALA 1 12.380 -7.198 0.376 2 2H ALA 1 H2 ALA 1 11.802 -7.593 1.851 3 3H ALA 1 H3 ALA 1 11.587 -8.620 0.586 4 HA ALA 1 HA ALA 1 10.181 -7.051 -0.532 5 1HB ALA 1 HB1 ALA 1 8.232 -7.111 0.981 6 2HB ALA 1 HB2 ALA 1 9.063 -8.675 0.951 7 3HB ALA 1 HB3 ALA 1 9.275 -7.581 2.337 8 H GLN 2 H GLN 2 9.926 -4.929 -0.974 9 HA GLN 2 HA GLN 2 11.077 -2.884 0.703 10 1HB GLN 2 HB2 GLN 2 10.409 -1.375 -0.969 11 2HB GLN 2 HB3 GLN 2 10.890 -2.837 -1.817 12 1HG GLN 2 HG2 GLN 2 8.392 -3.440 -1.922 13 2HG GLN 2 HG3 GLN 2 8.061 -1.806 -1.343 14 1HE2 GLN 2 HE22 GLN 2 9.477 -0.035 -2.747 15 2HE2 GLN 2 HE21 GLN 2 9.329 -0.272 -4.478 16 H THR 3 H THR 3 9.905 -1.213 1.924 17 HA THR 3 HA THR 3 7.026 -1.400 2.239 18 HB THR 3 HB THR 3 8.664 -1.801 4.769 19 HG1 THR 3 HG1 THR 3 7.876 -3.804 2.978 20 1HG2 THR 3 HG21 THR 3 6.588 -2.855 5.611 21 2HG2 THR 3 HG22 THR 3 6.253 -1.225 5.027 22 3HG2 THR 3 HG23 THR 3 5.812 -2.624 4.029 23 H GLU 4 H GLU 4 6.256 0.453 3.559 24 HA GLU 4 HA GLU 4 8.144 2.727 3.688 25 1HB GLU 4 HB2 GLU 4 5.203 2.362 4.431 26 2HB GLU 4 HB3 GLU 4 6.092 3.859 4.715 27 1HG GLU 4 HG2 GLU 4 5.815 2.631 1.934 28 2HG GLU 4 HG3 GLU 4 4.628 3.727 2.623 29 H GLN 5 H GLN 5 8.852 3.538 5.799 30 HA GLN 5 HA GLN 5 8.521 1.760 8.136 31 1HB GLN 5 HB2 GLN 5 11.172 2.362 6.736 32 2HB GLN 5 HB3 GLN 5 11.048 1.604 8.302 33 1HG GLN 5 HG2 GLN 5 9.973 0.333 5.754 34 2HG GLN 5 HG3 GLN 5 11.577 0.068 6.411 35 1HE2 GLN 5 HE22 GLN 5 8.082 -0.386 7.136 36 2HE2 GLN 5 HE21 GLN 5 8.337 -1.693 8.280 37 HA PRO 6 HA PRO 6 9.781 5.662 10.284 38 1HB PRO 6 HB2 PRO 6 11.818 3.833 11.558 39 2HB PRO 6 HB3 PRO 6 10.826 5.114 12.319 40 1HG PRO 6 HG2 PRO 6 10.135 2.507 12.603 41 2HG PRO 6 HG3 PRO 6 8.871 3.734 12.263 42 1HD PRO 6 HD2 PRO 6 10.219 1.839 10.330 43 2HD PRO 6 HD3 PRO 6 8.483 2.249 10.474 44 HA PRO 7 HA PRO 7 12.833 6.806 7.372 45 1HB PRO 7 HB2 PRO 7 14.161 8.390 9.587 46 2HB PRO 7 HB3 PRO 7 13.825 8.888 7.897 47 1HG PRO 7 HG2 PRO 7 12.169 9.660 9.890 48 2HG PRO 7 HG3 PRO 7 11.482 9.064 8.344 49 1HD PRO 7 HD2 PRO 7 11.771 7.587 10.963 50 2HD PRO 7 HD3 PRO 7 10.420 7.587 9.789 51 H ASN 8 H ASN 8 14.817 6.223 6.514 52 HA ASN 8 HA ASN 8 16.979 5.177 8.210 53 1HB ASN 8 HB2 ASN 8 15.741 3.103 7.585 54 2HB ASN 8 HB3 ASN 8 15.705 3.616 5.901 55 1HD2 ASN 8 HD22 ASN 8 16.940 1.916 5.052 56 2HD2 ASN 8 HD21 ASN 8 18.658 1.740 5.394 57 H GLN 9 H GLN 9 19.020 5.423 7.053 58 HA GLN 9 HA GLN 9 18.959 7.714 5.369 59 1HB GLN 9 HB2 GLN 9 21.290 7.835 5.565 60 2HB GLN 9 HB3 GLN 9 20.627 7.413 7.129 61 1HG GLN 9 HG2 GLN 9 21.298 5.048 6.805 62 2HG GLN 9 HG3 GLN 9 21.936 5.441 5.200 63 1HE2 GLN 9 HE22 GLN 9 23.549 7.461 5.239 64 2HE2 GLN 9 HE21 GLN 9 24.757 7.362 6.499 65 H ILE 10 H ILE 10 17.956 5.015 4.205 66 HA ILE 10 HA ILE 10 19.325 5.139 1.626 67 HB ILE 10 HB ILE 10 18.968 2.472 3.047 68 1HG1 ILE 10 HG12 ILE 10 21.559 4.046 2.847 69 2HG1 ILE 10 HG13 ILE 10 20.672 3.634 4.323 70 1HG2 ILE 10 HG21 ILE 10 20.279 1.555 1.211 71 2HG2 ILE 10 HG22 ILE 10 18.989 2.513 0.512 72 3HG2 ILE 10 HG23 ILE 10 20.628 3.184 0.587 73 1HD1 ILE 10 HD11 ILE 10 22.143 1.695 2.526 74 2HD1 ILE 10 HD12 ILE 10 22.525 2.166 4.185 75 3HD1 ILE 10 HD13 ILE 10 21.064 1.210 3.863 76 H LEU 11 H LEU 11 17.863 4.613 -0.001 77 HA LEU 11 HA LEU 11 15.065 3.895 0.764 78 1HB LEU 11 HB2 LEU 11 15.913 5.728 -1.506 79 2HB LEU 11 HB3 LEU 11 14.293 5.241 -1.085 80 HG LEU 11 HG LEU 11 14.418 7.416 -0.432 81 1HD1 LEU 11 HD11 LEU 11 13.393 6.023 1.306 82 2HD1 LEU 11 HD12 LEU 11 14.952 5.949 2.164 83 3HD1 LEU 11 HD13 LEU 11 14.118 7.497 1.966 84 1HD2 LEU 11 HD21 LEU 11 17.001 7.050 1.118 85 2HD2 LEU 11 HD22 LEU 11 16.901 7.671 -0.543 86 3HD2 LEU 11 HD23 LEU 11 16.123 8.552 0.771 87 H PHE 12 H PHE 12 13.968 2.686 -0.889 88 HA PHE 12 HA PHE 12 15.640 1.482 -3.037 89 1HB PHE 12 HB2 PHE 12 15.258 -0.297 -1.425 90 2HB PHE 12 HB3 PHE 12 13.549 0.120 -1.297 91 HD1 PHE 12 HD1 PHE 12 11.951 -0.829 -2.797 92 HD2 PHE 12 HD2 PHE 12 16.137 -1.023 -3.781 93 HE1 PHE 12 HE1 PHE 12 11.443 -2.376 -4.671 94 HE2 PHE 12 HE2 PHE 12 15.631 -2.561 -5.656 95 HZ PHE 12 HZ PHE 12 13.278 -3.251 -6.101 96 H LEU 13 H LEU 13 14.626 1.559 -5.005 97 HA LEU 13 HA LEU 13 12.071 3.090 -5.136 98 1HB LEU 13 HB2 LEU 13 14.712 3.547 -6.585 99 2HB LEU 13 HB3 LEU 13 13.165 4.108 -7.203 100 HG LEU 13 HG LEU 13 12.787 5.433 -5.143 101 1HD1 LEU 13 HD11 LEU 13 14.946 6.069 -3.877 102 2HD1 LEU 13 HD12 LEU 13 14.181 4.549 -3.447 103 3HD1 LEU 13 HD13 LEU 13 15.619 4.537 -4.488 104 1HD2 LEU 13 HD21 LEU 13 15.332 6.041 -6.688 105 2HD2 LEU 13 HD22 LEU 13 13.681 6.386 -7.251 106 3HD2 LEU 13 HD23 LEU 13 14.312 7.217 -5.834 107 H THR 14 H THR 14 10.943 2.849 -7.046 108 HA THR 14 HA THR 14 11.379 0.493 -8.750 109 HB THR 14 HB THR 14 8.734 0.231 -7.931 110 HG1 THR 14 HG1 THR 14 9.375 1.738 -6.108 111 1HG2 THR 14 HG21 THR 14 9.590 -1.675 -6.545 112 2HG2 THR 14 HG22 THR 14 10.195 -1.617 -8.206 113 3HG2 THR 14 HG23 THR 14 11.237 -1.067 -6.859 114 H ASN 15 H ASN 15 9.641 0.360 -10.431 115 HA ASN 15 HA ASN 15 8.402 1.111 -12.063 116 1HB ASN 15 HB2 ASN 15 6.818 1.769 -10.225 117 2HB ASN 15 HB3 ASN 15 7.482 3.402 -10.305 118 1HD2 ASN 15 HD22 ASN 15 5.961 4.683 -11.318 119 2HD2 ASN 15 HD21 ASN 15 5.030 4.198 -12.731 120 H LEU 16 H LEU 16 11.195 2.152 -11.625 121 HA LEU 16 HA LEU 16 11.394 4.859 -12.594 122 1HB LEU 16 HB2 LEU 16 13.396 2.595 -12.751 123 2HB LEU 16 HB3 LEU 16 13.761 4.301 -12.889 124 HG LEU 16 HG LEU 16 12.814 2.900 -10.354 125 1HD1 LEU 16 HD11 LEU 16 15.109 2.325 -11.091 126 2HD1 LEU 16 HD12 LEU 16 15.529 4.039 -11.098 127 3HD1 LEU 16 HD13 LEU 16 15.065 3.243 -9.572 128 1HD2 LEU 16 HD21 LEU 16 12.062 5.239 -10.368 129 2HD2 LEU 16 HD22 LEU 16 13.387 5.013 -9.223 130 3HD2 LEU 16 HD23 LEU 16 13.720 5.764 -10.784 131 HA PRO 17 HA PRO 17 11.043 4.313 -17.082 132 1HB PRO 17 HB2 PRO 17 13.783 5.503 -17.263 133 2HB PRO 17 HB3 PRO 17 12.301 5.908 -18.171 134 1HG PRO 17 HG2 PRO 17 13.228 7.411 -16.084 135 2HG PRO 17 HG3 PRO 17 11.481 7.230 -16.411 136 1HD PRO 17 HD2 PRO 17 13.088 6.015 -14.230 137 2HD PRO 17 HD3 PRO 17 11.356 6.386 -14.298 138 H GLU 18 H GLU 18 11.684 2.668 -18.521 139 HA GLU 18 HA GLU 18 13.424 0.589 -17.590 140 1HB GLU 18 HB2 GLU 18 12.866 -0.502 -19.698 141 2HB GLU 18 HB3 GLU 18 11.431 0.166 -18.925 142 1HG GLU 18 HG2 GLU 18 11.506 2.121 -20.472 143 2HG GLU 18 HG3 GLU 18 12.931 1.434 -21.257 144 H GLU 19 H GLU 19 14.389 3.485 -18.585 145 HA GLU 19 HA GLU 19 16.836 2.553 -19.865 146 1HB GLU 19 HB2 GLU 19 15.452 5.222 -20.350 147 2HB GLU 19 HB3 GLU 19 16.868 4.590 -21.199 148 1HG GLU 19 HG2 GLU 19 15.390 2.700 -22.051 149 2HG GLU 19 HG3 GLU 19 14.008 3.565 -21.359 150 H THR 20 H THR 20 15.842 3.435 -16.929 151 HA THR 20 HA THR 20 17.190 5.855 -16.341 152 HB THR 20 HB THR 20 16.538 3.611 -14.393 153 HG1 THR 20 HG1 THR 20 14.674 4.069 -15.391 154 1HG2 THR 20 HG21 THR 20 16.717 6.654 -14.065 155 2HG2 THR 20 HG22 THR 20 16.180 5.514 -12.821 156 3HG2 THR 20 HG23 THR 20 17.862 5.477 -13.380 157 H ASN 21 H ASN 21 19.192 6.281 -15.432 158 HA ASN 21 HA ASN 21 21.045 4.070 -14.993 159 1HB ASN 21 HB2 ASN 21 22.795 4.889 -16.317 160 2HB ASN 21 HB3 ASN 21 21.401 4.963 -17.381 161 1HD2 ASN 21 HD22 ASN 21 20.515 7.131 -17.893 162 2HD2 ASN 21 HD21 ASN 21 21.484 8.552 -17.611 163 H GLU 22 H GLU 22 23.048 5.037 -13.861 164 HA GLU 22 HA GLU 22 22.333 6.049 -11.408 165 1HB GLU 22 HB2 GLU 22 24.439 4.861 -12.140 166 2HB GLU 22 HB3 GLU 22 25.003 6.376 -12.847 167 1HG GLU 22 HG2 GLU 22 24.866 7.401 -10.524 168 2HG GLU 22 HG3 GLU 22 24.486 5.787 -9.909 169 H MET 23 H MET 23 23.323 7.941 -14.247 170 HA MET 23 HA MET 23 23.852 10.356 -12.782 171 1HB MET 23 HB2 MET 23 23.187 9.988 -15.730 172 2HB MET 23 HB3 MET 23 23.838 11.456 -14.998 173 1HG MET 23 HG2 MET 23 25.847 10.212 -14.254 174 2HG MET 23 HG3 MET 23 25.254 8.760 -15.058 175 1HE MET 23 HE1 MET 23 25.595 9.562 -18.842 176 2HE MET 23 HE2 MET 23 25.240 8.335 -17.607 177 3HE MET 23 HE3 MET 23 24.124 9.695 -17.858 178 H MET 24 H MET 24 20.909 9.018 -14.225 179 HA MET 24 HA MET 24 19.399 11.466 -14.290 180 1HB MET 24 HB2 MET 24 18.581 8.525 -14.208 181 2HB MET 24 HB3 MET 24 17.399 9.840 -14.237 182 1HG MET 24 HG2 MET 24 18.139 10.639 -16.327 183 2HG MET 24 HG3 MET 24 19.616 9.674 -16.277 184 1HE MET 24 HE1 MET 24 15.874 8.422 -15.509 185 2HE MET 24 HE2 MET 24 15.712 9.618 -16.818 186 3HE MET 24 HE3 MET 24 15.412 7.895 -17.138 187 H LEU 25 H LEU 25 19.455 8.780 -11.913 188 HA LEU 25 HA LEU 25 17.695 10.286 -10.160 189 1HB LEU 25 HB2 LEU 25 19.408 7.872 -9.465 190 2HB LEU 25 HB3 LEU 25 18.130 8.574 -8.482 191 HG LEU 25 HG LEU 25 17.925 6.995 -11.051 192 1HD1 LEU 25 HD11 LEU 25 17.978 5.797 -8.910 193 2HD1 LEU 25 HD12 LEU 25 16.660 6.803 -8.284 194 3HD1 LEU 25 HD13 LEU 25 16.359 5.671 -9.621 195 1HD2 LEU 25 HD21 LEU 25 15.429 7.484 -10.984 196 2HD2 LEU 25 HD22 LEU 25 15.789 8.807 -9.840 197 3HD2 LEU 25 HD23 LEU 25 16.424 8.841 -11.506 198 H SER 26 H SER 26 21.255 9.969 -10.457 199 HA SER 26 HA SER 26 21.846 11.187 -7.938 200 1HB SER 26 HB2 SER 26 23.429 11.303 -10.541 201 2HB SER 26 HB3 SER 26 24.034 11.705 -8.923 202 HG SER 26 HG SER 26 23.199 9.204 -9.954 203 H MET 27 H MET 27 21.304 12.571 -11.227 204 HA MET 27 HA MET 27 21.590 15.285 -10.508 205 1HB MET 27 HB2 MET 27 21.540 14.465 -12.817 206 2HB MET 27 HB3 MET 27 19.858 13.951 -12.629 207 1HG MET 27 HG2 MET 27 19.177 16.294 -12.270 208 2HG MET 27 HG3 MET 27 20.864 16.800 -12.413 209 1HE MET 27 HE1 MET 27 18.738 14.164 -14.617 210 2HE MET 27 HE2 MET 27 17.648 15.507 -14.200 211 3HE MET 27 HE3 MET 27 18.173 15.274 -15.881 212 H LEU 28 H LEU 28 18.672 13.134 -10.399 213 HA LEU 28 HA LEU 28 16.927 15.267 -9.625 214 1HB LEU 28 HB2 LEU 28 16.659 12.256 -9.308 215 2HB LEU 28 HB3 LEU 28 15.391 13.394 -8.868 216 HG LEU 28 HG LEU 28 16.534 13.087 -11.668 217 1HD1 LEU 28 HD11 LEU 28 14.385 12.037 -12.211 218 2HD1 LEU 28 HD12 LEU 28 15.209 11.130 -10.936 219 3HD1 LEU 28 HD13 LEU 28 13.853 12.206 -10.523 220 1HD2 LEU 28 HD21 LEU 28 14.565 14.459 -12.360 221 2HD2 LEU 28 HD22 LEU 28 14.222 14.783 -10.645 222 3HD2 LEU 28 HD23 LEU 28 15.724 15.364 -11.401 223 H PHE 29 H PHE 29 18.498 12.754 -7.590 224 HA PHE 29 HA PHE 29 17.272 13.967 -5.228 225 1HB PHE 29 HB2 PHE 29 19.191 11.649 -5.664 226 2HB PHE 29 HB3 PHE 29 18.785 12.257 -4.064 227 HD1 PHE 29 HD1 PHE 29 16.812 11.747 -2.932 228 HD2 PHE 29 HD2 PHE 29 17.243 10.685 -7.087 229 HE1 PHE 29 HE1 PHE 29 14.742 10.384 -2.796 230 HE2 PHE 29 HE2 PHE 29 15.194 9.309 -6.944 231 HZ PHE 29 HZ PHE 29 13.928 9.177 -4.811 232 H ASN 30 H ASN 30 20.499 14.348 -6.746 233 HA ASN 30 HA ASN 30 21.856 15.102 -4.396 234 1HB ASN 30 HB2 ASN 30 23.001 14.463 -6.398 235 2HB ASN 30 HB3 ASN 30 22.387 15.897 -7.255 236 1HD2 ASN 30 HD22 ASN 30 23.973 17.481 -7.437 237 2HD2 ASN 30 HD21 ASN 30 25.221 17.776 -6.257 238 H GLN 31 H GLN 31 19.386 16.892 -6.021 239 HA GLN 31 HA GLN 31 20.172 19.541 -5.440 240 1HB GLN 31 HB2 GLN 31 17.867 20.131 -5.659 241 2HB GLN 31 HB3 GLN 31 18.230 18.894 -6.862 242 1HG GLN 31 HG2 GLN 31 17.198 17.177 -5.334 243 2HG GLN 31 HG3 GLN 31 16.774 18.465 -4.213 244 1HE2 GLN 31 HE22 GLN 31 15.799 16.808 -7.071 245 2HE2 GLN 31 HE21 GLN 31 14.393 17.799 -7.443 246 H PHE 32 H PHE 32 19.074 16.936 -3.299 247 HA PHE 32 HA PHE 32 18.436 18.788 -1.114 248 1HB PHE 32 HB2 PHE 32 18.629 15.766 -1.061 249 2HB PHE 32 HB3 PHE 32 17.857 16.792 0.135 250 HD1 PHE 32 HD1 PHE 32 15.930 18.448 -0.994 251 HD2 PHE 32 HD2 PHE 32 17.237 14.664 -2.589 252 HE1 PHE 32 HE1 PHE 32 13.885 18.308 -2.397 253 HE2 PHE 32 HE2 PHE 32 15.213 14.528 -3.970 254 HZ PHE 32 HZ PHE 32 13.558 16.359 -3.934 255 HA PRO 33 HA PRO 33 22.728 18.809 0.009 256 1HB PRO 33 HB2 PRO 33 22.684 20.152 2.392 257 2HB PRO 33 HB3 PRO 33 22.189 20.893 0.848 258 1HG PRO 33 HG2 PRO 33 20.391 19.623 2.938 259 2HG PRO 33 HG3 PRO 33 20.241 21.246 2.192 260 1HD PRO 33 HD2 PRO 33 18.858 19.092 1.249 261 2HD PRO 33 HD3 PRO 33 19.504 20.348 0.149 262 H GLY 34 H GLY 34 21.442 16.260 0.521 263 1HA GLY 34 HA2 GLY 34 23.129 15.245 2.743 264 2HA GLY 34 HA3 GLY 34 21.394 14.868 2.715 265 H PHE 35 H PHE 35 22.066 14.917 -0.543 266 HA PHE 35 HA PHE 35 21.915 12.184 -0.935 267 1HB PHE 35 HB2 PHE 35 21.388 13.892 -2.569 268 2HB PHE 35 HB3 PHE 35 23.044 14.497 -2.552 269 HD1 PHE 35 HD1 PHE 35 24.839 13.366 -3.781 270 HD2 PHE 35 HD2 PHE 35 20.826 11.808 -3.732 271 HE1 PHE 35 HE1 PHE 35 25.392 11.867 -5.685 272 HE2 PHE 35 HE2 PHE 35 21.355 10.364 -5.656 273 HZ PHE 35 HZ PHE 35 23.646 10.362 -6.620 274 H LYS 36 H LYS 36 23.369 10.623 -1.441 275 HA LYS 36 HA LYS 36 26.292 11.217 -1.210 276 1HB LYS 36 HB2 LYS 36 24.901 8.749 -0.093 277 2HB LYS 36 HB3 LYS 36 26.621 8.995 -0.157 278 1HG LYS 36 HG2 LYS 36 24.679 10.767 1.388 279 2HG LYS 36 HG3 LYS 36 25.540 9.402 2.086 280 1HD LYS 36 HD2 LYS 36 26.817 11.932 0.962 281 2HD LYS 36 HD3 LYS 36 26.569 11.533 2.672 282 1HE LYS 36 HE2 LYS 36 27.958 9.519 2.431 283 2HE LYS 36 HE3 LYS 36 28.249 9.907 0.728 284 1HZ LYS 36 HZ1 LYS 36 30.080 10.645 2.126 285 2HZ LYS 36 HZ2 LYS 36 29.365 11.943 1.453 286 3HZ LYS 36 HZ3 LYS 36 29.100 11.582 3.026 287 H GLU 37 H GLU 37 23.942 8.617 -2.284 288 HA GLU 37 HA GLU 37 25.330 8.496 -4.881 289 1HB GLU 37 HB2 GLU 37 26.851 7.326 -3.235 290 2HB GLU 37 HB3 GLU 37 25.564 6.180 -2.887 291 1HG GLU 37 HG2 GLU 37 25.709 5.213 -5.058 292 2HG GLU 37 HG3 GLU 37 26.613 6.588 -5.710 293 H VAL 38 H VAL 38 24.410 6.640 -6.258 294 HA VAL 38 HA VAL 38 21.896 5.514 -5.294 295 HB VAL 38 HB VAL 38 20.588 5.942 -7.167 296 1HG1 VAL 38 HG11 VAL 38 22.025 8.590 -6.893 297 2HG1 VAL 38 HG12 VAL 38 20.327 8.311 -7.323 298 3HG1 VAL 38 HG13 VAL 38 20.882 7.953 -5.683 299 1HG2 VAL 38 HG21 VAL 38 23.022 7.016 -8.620 300 2HG2 VAL 38 HG22 VAL 38 22.096 5.528 -8.988 301 3HG2 VAL 38 HG23 VAL 38 21.368 7.105 -9.238 302 H ARG 39 H ARG 39 21.396 3.518 -6.436 303 HA ARG 39 HA ARG 39 23.648 2.291 -7.946 304 1HB ARG 39 HB2 ARG 39 22.412 1.085 -5.428 305 2HB ARG 39 HB3 ARG 39 23.626 0.333 -6.468 306 1HG ARG 39 HG2 ARG 39 25.214 2.184 -5.927 307 2HG ARG 39 HG3 ARG 39 23.994 2.907 -4.868 308 1HD ARG 39 HD2 ARG 39 24.032 0.867 -3.452 309 2HD ARG 39 HD3 ARG 39 25.390 0.265 -4.422 310 HE ARG 39 HE ARG 39 26.575 2.422 -3.840 311 1HH1 ARG 39 HH21 ARG 39 24.115 1.246 -1.506 312 2HH1 ARG 39 HH22 ARG 39 24.674 2.342 -0.264 313 1HH2 ARG 39 HH11 ARG 39 27.222 3.718 -2.293 314 2HH2 ARG 39 HH12 ARG 39 26.488 3.779 -0.691 315 H LEU 40 H LEU 40 22.473 2.159 -9.807 316 HA LEU 40 HA LEU 40 19.693 1.318 -9.977 317 1HB LEU 40 HB2 LEU 40 21.963 1.969 -11.874 318 2HB LEU 40 HB3 LEU 40 20.734 0.898 -12.477 319 HG LEU 40 HG LEU 40 20.370 3.230 -13.110 320 1HD1 LEU 40 HD11 LEU 40 18.484 1.774 -13.166 321 2HD1 LEU 40 HD12 LEU 40 18.187 1.959 -11.431 322 3HD1 LEU 40 HD13 LEU 40 17.947 3.327 -12.514 323 1HD2 LEU 40 HD21 LEU 40 19.683 3.836 -10.220 324 2HD2 LEU 40 HD22 LEU 40 21.211 4.273 -11.011 325 3HD2 LEU 40 HD23 LEU 40 19.694 4.949 -11.610 326 H VAL 41 H VAL 41 19.168 -0.622 -11.266 327 HA VAL 41 HA VAL 41 21.040 -2.919 -10.857 328 HB VAL 41 HB VAL 41 18.016 -2.970 -10.840 329 1HG1 VAL 41 HG11 VAL 41 18.950 -5.017 -11.804 330 2HG1 VAL 41 HG12 VAL 41 20.108 -5.164 -10.460 331 3HG1 VAL 41 HG13 VAL 41 18.370 -5.361 -10.175 332 1HG2 VAL 41 HG21 VAL 41 18.329 -3.700 -8.452 333 2HG2 VAL 41 HG22 VAL 41 20.060 -3.333 -8.593 334 3HG2 VAL 41 HG23 VAL 41 18.852 -2.037 -8.724 335 HA PRO 42 HA PRO 42 20.661 -1.703 -15.207 336 1HB PRO 42 HB2 PRO 42 23.229 -2.127 -16.075 337 2HB PRO 42 HB3 PRO 42 22.786 -0.768 -15.005 338 1HG PRO 42 HG2 PRO 42 23.861 -3.488 -14.175 339 2HG PRO 42 HG3 PRO 42 24.506 -1.870 -13.735 340 1HD PRO 42 HD2 PRO 42 22.806 -3.207 -12.099 341 2HD PRO 42 HD3 PRO 42 22.688 -1.432 -12.303 342 H ASN 43 H ASN 43 19.864 -4.226 -14.160 343 HA ASN 43 HA ASN 43 19.918 -5.758 -16.619 344 1HB ASN 43 HB2 ASN 43 19.856 -7.896 -15.520 345 2HB ASN 43 HB3 ASN 43 21.307 -7.035 -15.038 346 1HD2 ASN 43 HD22 ASN 43 21.740 -7.152 -12.839 347 2HD2 ASN 43 HD21 ASN 43 20.538 -7.417 -11.604 348 H ARG 44 H ARG 44 18.089 -4.115 -14.153 349 HA ARG 44 HA ARG 44 15.687 -4.951 -15.711 350 1HB ARG 44 HB2 ARG 44 15.942 -4.723 -12.705 351 2HB ARG 44 HB3 ARG 44 14.394 -4.447 -13.512 352 1HG ARG 44 HG2 ARG 44 14.500 -6.653 -14.600 353 2HG ARG 44 HG3 ARG 44 16.029 -7.005 -13.789 354 1HD ARG 44 HD2 ARG 44 13.396 -6.418 -12.364 355 2HD ARG 44 HD3 ARG 44 14.037 -8.035 -12.709 356 HE ARG 44 HE ARG 44 15.929 -6.350 -11.317 357 1HH1 ARG 44 HH22 ARG 44 13.089 -8.407 -10.788 358 2HH1 ARG 44 HH21 ARG 44 13.546 -8.908 -9.204 359 1HH2 ARG 44 HH11 ARG 44 16.597 -7.096 -9.194 360 2HH2 ARG 44 HH12 ARG 44 15.563 -8.113 -8.275 361 H HIS 45 H HIS 45 17.426 -2.331 -14.139 362 HA HIS 45 HA HIS 45 17.268 -0.148 -14.145 363 1HB HIS 45 HB2 HIS 45 15.804 -0.474 -16.780 364 2HB HIS 45 HB3 HIS 45 16.465 1.027 -16.156 365 HD1 HIS 45 HD1 HIS 45 19.061 1.436 -16.491 366 HD2 HIS 45 HD2 HIS 45 17.652 -2.391 -17.562 367 HE1 HIS 45 HE1 HIS 45 20.975 0.275 -17.709 368 H ASP 46 H ASP 46 14.189 -1.797 -14.065 369 HA ASP 46 HA ASP 46 12.509 0.488 -13.719 370 1HB ASP 46 HB2 ASP 46 11.741 -1.798 -14.348 371 2HB ASP 46 HB3 ASP 46 12.158 -2.376 -12.739 372 H ILE 47 H ILE 47 14.853 -0.959 -11.640 373 HA ILE 47 HA ILE 47 13.700 0.311 -9.240 374 HB ILE 47 HB ILE 47 14.341 -1.671 -7.993 375 1HG1 ILE 47 HG12 ILE 47 15.626 -2.520 -10.617 376 2HG1 ILE 47 HG13 ILE 47 16.347 -2.354 -9.013 377 1HG2 ILE 47 HG21 ILE 47 12.866 -2.719 -10.440 378 2HG2 ILE 47 HG22 ILE 47 12.675 -3.192 -8.739 379 3HG2 ILE 47 HG23 ILE 47 12.133 -1.599 -9.289 380 1HD1 ILE 47 HD11 ILE 47 15.030 -4.323 -8.274 381 2HD1 ILE 47 HD12 ILE 47 14.449 -4.489 -9.969 382 3HD1 ILE 47 HD13 ILE 47 16.174 -4.650 -9.608 383 H ALA 48 H ALA 48 15.267 0.708 -7.545 384 HA ALA 48 HA ALA 48 18.122 0.657 -8.115 385 1HB ALA 48 HB1 ALA 48 18.511 3.075 -8.114 386 2HB ALA 48 HB2 ALA 48 17.426 2.689 -9.449 387 3HB ALA 48 HB3 ALA 48 16.777 3.397 -7.954 388 H PHE 49 H PHE 49 19.274 1.950 -6.373 389 HA PHE 49 HA PHE 49 17.721 2.185 -3.851 390 1HB PHE 49 HB2 PHE 49 20.547 1.103 -4.194 391 2HB PHE 49 HB3 PHE 49 19.873 1.619 -2.663 392 HD1 PHE 49 HD1 PHE 49 19.553 -0.925 -5.382 393 HD2 PHE 49 HD2 PHE 49 18.439 0.207 -1.368 394 HE1 PHE 49 HE1 PHE 49 18.670 -3.212 -4.979 395 HE2 PHE 49 HE2 PHE 49 17.596 -2.091 -0.956 396 HZ PHE 49 HZ PHE 49 17.712 -3.806 -2.759 397 H VAL 50 H VAL 50 18.373 4.030 -2.633 398 HA VAL 50 HA VAL 50 20.330 5.899 -3.867 399 HB VAL 50 HB VAL 50 17.484 6.498 -2.953 400 1HG1 VAL 50 HG11 VAL 50 19.677 8.431 -3.808 401 2HG1 VAL 50 HG12 VAL 50 17.958 8.844 -3.611 402 3HG1 VAL 50 HG13 VAL 50 18.901 8.321 -2.215 403 1HG2 VAL 50 HG21 VAL 50 18.778 6.763 -5.685 404 2HG2 VAL 50 HG22 VAL 50 17.554 5.578 -5.203 405 3HG2 VAL 50 HG23 VAL 50 17.139 7.295 -5.252 406 H GLU 51 H GLU 51 21.570 6.951 -2.296 407 HA GLU 51 HA GLU 51 21.156 6.112 0.530 408 1HB GLU 51 HB2 GLU 51 22.727 4.589 -0.523 409 2HB GLU 51 HB3 GLU 51 23.673 5.934 -1.182 410 1HG GLU 51 HG2 GLU 51 24.340 6.662 1.021 411 2HG GLU 51 HG3 GLU 51 23.226 5.526 1.805 412 H PHE 52 H PHE 52 21.705 7.575 2.011 413 HA PHE 52 HA PHE 52 22.494 10.310 1.176 414 1HB PHE 52 HB2 PHE 52 19.944 9.201 2.188 415 2HB PHE 52 HB3 PHE 52 20.502 10.601 3.085 416 HD1 PHE 52 HD1 PHE 52 19.811 12.700 2.355 417 HD2 PHE 52 HD2 PHE 52 19.979 9.447 -0.463 418 HE1 PHE 52 HE1 PHE 52 18.897 14.179 0.591 419 HE2 PHE 52 HE2 PHE 52 19.096 10.924 -2.229 420 HZ PHE 52 HZ PHE 52 18.605 13.309 -1.727 421 H THR 53 H THR 53 22.893 11.652 3.021 422 HA THR 53 HA THR 53 24.846 10.695 4.824 423 HB THR 53 HB THR 53 23.152 13.242 4.774 424 HG1 THR 53 HG1 THR 53 24.334 13.015 2.912 425 1HG2 THR 53 HG21 THR 53 25.731 12.663 6.277 426 2HG2 THR 53 HG22 THR 53 25.050 14.291 6.013 427 3HG2 THR 53 HG23 THR 53 24.143 13.100 6.955 428 H THR 54 H THR 54 21.428 11.743 5.391 429 HA THR 54 HA THR 54 21.439 10.307 7.978 430 HB THR 54 HB THR 54 20.096 12.592 8.581 431 HG1 THR 54 HG1 THR 54 21.289 14.335 7.806 432 1HG2 THR 54 HG21 THR 54 23.108 12.200 8.769 433 2HG2 THR 54 HG22 THR 54 22.151 13.370 9.709 434 3HG2 THR 54 HG23 THR 54 21.885 11.633 9.922 435 H GLU 55 H GLU 55 19.533 9.764 8.768 436 HA GLU 55 HA GLU 55 17.659 8.703 6.962 437 1HB GLU 55 HB2 GLU 55 17.086 9.283 9.899 438 2HB GLU 55 HB3 GLU 55 16.387 8.047 8.861 439 1HG GLU 55 HG2 GLU 55 17.822 6.729 9.998 440 2HG GLU 55 HG3 GLU 55 18.899 7.187 8.692 441 H LEU 56 H LEU 56 17.508 11.724 8.880 442 HA LEU 56 HA LEU 56 14.787 12.349 8.223 443 1HB LEU 56 HB2 LEU 56 17.130 13.905 9.352 444 2HB LEU 56 HB3 LEU 56 15.699 14.763 8.798 445 HG LEU 56 HG LEU 56 14.252 13.505 10.315 446 1HD1 LEU 56 HD11 LEU 56 15.432 11.381 10.576 447 2HD1 LEU 56 HD12 LEU 56 16.815 12.203 11.340 448 3HD1 LEU 56 HD13 LEU 56 15.238 12.138 12.153 449 1HD2 LEU 56 HD21 LEU 56 16.652 14.774 11.705 450 2HD2 LEU 56 HD22 LEU 56 15.258 15.642 11.026 451 3HD2 LEU 56 HD23 LEU 56 15.032 14.553 12.402 452 H GLN 57 H GLN 57 17.909 13.194 6.637 453 HA GLN 57 HA GLN 57 16.619 14.963 4.724 454 1HB GLN 57 HB2 GLN 57 19.349 13.600 4.615 455 2HB GLN 57 HB3 GLN 57 18.757 14.859 3.515 456 1HG GLN 57 HG2 GLN 57 18.358 16.287 5.652 457 2HG GLN 57 HG3 GLN 57 19.374 15.099 6.478 458 1HE2 GLN 57 HE22 GLN 57 21.645 14.879 5.748 459 2HE2 GLN 57 HE21 GLN 57 22.396 16.189 4.833 460 H SER 58 H SER 58 17.610 11.528 4.744 461 HA SER 58 HA SER 58 16.791 10.786 2.156 462 1HB SER 58 HB2 SER 58 16.371 9.135 4.686 463 2HB SER 58 HB3 SER 58 16.591 8.548 3.038 464 HG SER 58 HG SER 58 18.496 9.918 4.670 465 H ASN 59 H ASN 59 14.845 10.946 5.194 466 HA ASN 59 HA ASN 59 12.375 10.216 4.053 467 1HB ASN 59 HB2 ASN 59 12.653 10.248 6.454 468 2HB ASN 59 HB3 ASN 59 13.050 11.959 6.449 469 1HD2 ASN 59 HD22 ASN 59 11.380 13.228 7.168 470 2HD2 ASN 59 HD21 ASN 59 9.690 12.889 6.914 471 H ALA 60 H ALA 60 13.755 13.503 4.495 472 HA ALA 60 HA ALA 60 11.526 14.848 3.374 473 1HB ALA 60 HB1 ALA 60 14.451 15.696 3.353 474 2HB ALA 60 HB2 ALA 60 13.045 16.750 3.082 475 3HB ALA 60 HB3 ALA 60 13.280 15.984 4.666 476 H ALA 61 H ALA 61 14.457 13.582 1.765 477 HA ALA 61 HA ALA 61 13.788 14.510 -0.857 478 1HB ALA 61 HB1 ALA 61 15.429 12.877 -1.621 479 2HB ALA 61 HB2 ALA 61 16.060 13.752 -0.210 480 3HB ALA 61 HB3 ALA 61 15.456 12.087 -0.032 481 H LYS 62 H LYS 62 13.105 11.421 0.834 482 HA LYS 62 HA LYS 62 11.739 10.096 -1.267 483 1HB LYS 62 HB2 LYS 62 12.559 8.921 0.619 484 2HB LYS 62 HB3 LYS 62 11.702 9.918 1.768 485 1HG LYS 62 HG2 LYS 62 10.283 8.018 -0.130 486 2HG LYS 62 HG3 LYS 62 10.893 7.568 1.466 487 1HD LYS 62 HD2 LYS 62 9.471 9.552 2.380 488 2HD LYS 62 HD3 LYS 62 8.658 9.495 0.801 489 1HE LYS 62 HE2 LYS 62 8.346 6.970 1.256 490 2HE LYS 62 HE3 LYS 62 8.805 7.330 2.922 491 1HZ LYS 62 HZ1 LYS 62 6.422 7.378 2.566 492 2HZ LYS 62 HZ2 LYS 62 6.927 8.956 2.944 493 3HZ LYS 62 HZ3 LYS 62 6.556 8.520 1.423 494 H GLU 63 H GLU 63 10.420 12.202 1.378 495 HA GLU 63 HA GLU 63 7.730 12.063 0.497 496 1HB GLU 63 HB2 GLU 63 9.261 14.221 2.008 497 2HB GLU 63 HB3 GLU 63 7.523 14.279 1.758 498 1HG GLU 63 HG2 GLU 63 8.960 12.017 3.209 499 2HG GLU 63 HG3 GLU 63 8.246 13.411 3.999 500 H ALA 64 H ALA 64 10.380 14.243 -0.449 501 HA ALA 64 HA ALA 64 8.819 16.020 -2.024 502 1HB ALA 64 HB1 ALA 64 11.776 15.313 -2.230 503 2HB ALA 64 HB2 ALA 64 10.994 16.745 -2.926 504 3HB ALA 64 HB3 ALA 64 11.072 16.551 -1.162 505 H LEU 65 H LEU 65 10.646 13.036 -2.951 506 HA LEU 65 HA LEU 65 9.755 13.471 -5.757 507 1HB LEU 65 HB2 LEU 65 12.035 11.831 -4.616 508 2HB LEU 65 HB3 LEU 65 11.587 11.878 -6.317 509 HG LEU 65 HG LEU 65 12.610 14.227 -4.684 510 1HD1 LEU 65 HD11 LEU 65 14.331 12.592 -5.297 511 2HD1 LEU 65 HD12 LEU 65 13.820 12.641 -6.993 512 3HD1 LEU 65 HD13 LEU 65 14.545 14.076 -6.236 513 1HD2 LEU 65 HD21 LEU 65 11.039 15.119 -6.339 514 2HD2 LEU 65 HD22 LEU 65 12.686 15.451 -6.863 515 3HD2 LEU 65 HD23 LEU 65 11.777 14.125 -7.619 516 H GLN 66 H GLN 66 8.677 11.501 -3.189 517 HA GLN 66 HA GLN 66 7.986 9.188 -4.695 518 1HB GLN 66 HB2 GLN 66 6.760 10.582 -2.315 519 2HB GLN 66 HB3 GLN 66 5.757 9.429 -3.204 520 1HG GLN 66 HG2 GLN 66 7.524 7.698 -2.992 521 2HG GLN 66 HG3 GLN 66 8.464 8.800 -1.985 522 1HE2 GLN 66 HE22 GLN 66 7.230 6.096 -1.321 523 2HE2 GLN 66 HE21 GLN 66 6.287 6.411 0.116 524 H GLY 67 H GLY 67 6.757 8.868 -6.383 525 1HA GLY 67 HA2 GLY 67 5.055 9.060 -7.895 526 2HA GLY 67 HA3 GLY 67 4.408 10.459 -7.032 527 H PHE 68 H PHE 68 7.759 10.988 -7.718 528 HA PHE 68 HA PHE 68 7.115 13.140 -9.509 529 1HB PHE 68 HB2 PHE 68 8.997 13.208 -7.930 530 2HB PHE 68 HB3 PHE 68 9.752 11.826 -8.719 531 HD1 PHE 68 HD1 PHE 68 8.937 15.437 -9.042 532 HD2 PHE 68 HD2 PHE 68 11.001 12.072 -10.788 533 HE1 PHE 68 HE1 PHE 68 10.181 16.974 -10.543 534 HE2 PHE 68 HE2 PHE 68 12.233 13.615 -12.290 535 HZ PHE 68 HZ PHE 68 11.833 16.065 -12.167 536 H LYS 69 H LYS 69 6.809 13.007 -11.680 537 HA LYS 69 HA LYS 69 7.295 10.580 -13.214 538 1HB LYS 69 HB2 LYS 69 6.318 13.348 -13.845 539 2HB LYS 69 HB3 LYS 69 7.229 12.540 -15.119 540 1HG LYS 69 HG2 LYS 69 4.967 12.038 -15.515 541 2HG LYS 69 HG3 LYS 69 5.778 10.573 -14.987 542 1HD LYS 69 HD2 LYS 69 4.866 11.000 -12.646 543 2HD LYS 69 HD3 LYS 69 3.861 12.275 -13.342 544 1HE LYS 69 HE2 LYS 69 3.922 9.361 -14.273 545 2HE LYS 69 HE3 LYS 69 2.769 9.994 -13.084 546 1HZ LYS 69 HZ1 LYS 69 2.017 11.566 -14.859 547 2HZ LYS 69 HZ2 LYS 69 2.928 10.718 -15.947 548 3HZ LYS 69 HZ3 LYS 69 1.699 9.999 -15.167 549 H ILE 70 H ILE 70 9.286 9.832 -13.392 550 HA ILE 70 HA ILE 70 11.650 11.574 -13.685 551 HB ILE 70 HB ILE 70 11.284 8.607 -14.184 552 1HG1 ILE 70 HG12 ILE 70 12.627 9.937 -11.794 553 2HG1 ILE 70 HG13 ILE 70 10.928 9.480 -11.767 554 1HG2 ILE 70 HG21 ILE 70 13.210 9.633 -15.395 555 2HG2 ILE 70 HG22 ILE 70 13.778 10.354 -13.882 556 3HG2 ILE 70 HG23 ILE 70 13.790 8.592 -14.086 557 1HD1 ILE 70 HD11 ILE 70 11.447 7.148 -12.159 558 2HD1 ILE 70 HD12 ILE 70 13.190 7.517 -12.262 559 3HD1 ILE 70 HD13 ILE 70 12.315 7.750 -10.746 560 H THR 71 H THR 71 9.482 9.484 -15.728 561 HA THR 71 HA THR 71 9.738 11.436 -17.905 562 HB THR 71 HB THR 71 9.585 9.530 -19.528 563 HG1 THR 71 HG1 THR 71 10.051 7.480 -18.854 564 1HG2 THR 71 HG21 THR 71 11.798 10.599 -19.075 565 2HG2 THR 71 HG22 THR 71 12.113 9.376 -17.823 566 3HG2 THR 71 HG23 THR 71 11.943 8.891 -19.522 567 HA PRO 72 HA PRO 72 5.561 11.890 -17.772 568 1HB PRO 72 HB2 PRO 72 5.146 10.555 -20.457 569 2HB PRO 72 HB3 PRO 72 4.408 12.065 -19.830 570 1HG PRO 72 HG2 PRO 72 6.559 12.218 -21.451 571 2HG PRO 72 HG3 PRO 72 6.504 13.228 -19.968 572 1HD PRO 72 HD2 PRO 72 7.977 10.640 -20.436 573 2HD PRO 72 HD3 PRO 72 8.525 12.116 -19.586 574 H THR 73 H THR 73 6.327 8.492 -18.375 575 HA THR 73 HA THR 73 3.717 7.681 -17.226 576 HB THR 73 HB THR 73 4.179 5.577 -18.649 577 HG1 THR 73 HG1 THR 73 5.660 5.804 -20.285 578 1HG2 THR 73 HG21 THR 73 2.520 7.315 -19.304 579 2HG2 THR 73 HG22 THR 73 3.794 8.197 -20.173 580 3HG2 THR 73 HG23 THR 73 3.308 6.572 -20.703 581 H HIS 74 H HIS 74 6.648 8.187 -16.087 582 HA HIS 74 HA HIS 74 6.735 5.664 -14.501 583 1HB HIS 74 HB2 HIS 74 9.015 7.072 -15.905 584 2HB HIS 74 HB3 HIS 74 9.233 5.975 -14.540 585 HD1 HIS 74 HD1 HIS 74 8.675 3.403 -14.891 586 HD2 HIS 74 HD2 HIS 74 8.302 5.874 -18.278 587 HE1 HIS 74 HE1 HIS 74 8.496 1.837 -16.907 588 H ALA 75 H ALA 75 5.394 6.933 -13.141 589 HA ALA 75 HA ALA 75 6.500 9.118 -11.572 590 1HB ALA 75 HB1 ALA 75 4.059 8.745 -11.696 591 2HB ALA 75 HB2 ALA 75 4.252 7.128 -10.983 592 3HB ALA 75 HB3 ALA 75 4.634 8.577 -10.036 593 H MET 76 H MET 76 8.341 8.746 -10.491 594 HA MET 76 HA MET 76 9.578 6.420 -9.688 595 1HB MET 76 HB2 MET 76 10.447 8.781 -9.720 596 2HB MET 76 HB3 MET 76 9.512 9.134 -8.277 597 1HG MET 76 HG2 MET 76 10.773 7.320 -7.092 598 2HG MET 76 HG3 MET 76 11.785 7.131 -8.526 599 1HE MET 76 HE1 MET 76 13.623 10.696 -8.568 600 2HE MET 76 HE2 MET 76 13.452 9.150 -9.421 601 3HE MET 76 HE3 MET 76 12.111 10.323 -9.416 602 H LYS 77 H LYS 77 8.852 4.772 -8.321 603 HA LYS 77 HA LYS 77 7.149 5.538 -5.998 604 1HB LYS 77 HB2 LYS 77 6.350 3.648 -7.367 605 2HB LYS 77 HB3 LYS 77 7.880 2.793 -7.118 606 1HG LYS 77 HG2 LYS 77 7.465 2.636 -4.718 607 2HG LYS 77 HG3 LYS 77 6.094 3.742 -4.841 608 1HD LYS 77 HD2 LYS 77 5.232 1.542 -4.532 609 2HD LYS 77 HD3 LYS 77 4.848 2.056 -6.180 610 1HE LYS 77 HE2 LYS 77 6.755 0.708 -7.038 611 2HE LYS 77 HE3 LYS 77 7.171 0.236 -5.386 612 1HZ LYS 77 HZ1 LYS 77 5.015 -0.882 -5.237 613 2HZ LYS 77 HZ2 LYS 77 4.639 -0.456 -6.770 614 3HZ LYS 77 HZ3 LYS 77 5.876 -1.478 -6.483 615 H ILE 78 H ILE 78 8.071 5.387 -3.937 616 HA ILE 78 HA ILE 78 10.916 4.578 -3.713 617 HB ILE 78 HB ILE 78 9.787 7.030 -2.332 618 1HG1 ILE 78 HG12 ILE 78 11.422 7.089 -4.897 619 2HG1 ILE 78 HG13 ILE 78 9.741 7.581 -4.726 620 1HG2 ILE 78 HG21 ILE 78 12.673 6.201 -2.775 621 2HG2 ILE 78 HG22 ILE 78 12.109 7.561 -1.792 622 3HG2 ILE 78 HG23 ILE 78 11.763 5.933 -1.276 623 1HD1 ILE 78 HD11 ILE 78 12.145 8.964 -3.492 624 2HD1 ILE 78 HD12 ILE 78 11.080 9.549 -4.768 625 3HD1 ILE 78 HD13 ILE 78 10.455 9.360 -3.122 626 H THR 79 H THR 79 11.324 3.618 -1.760 627 HA THR 79 HA THR 79 9.390 3.660 0.452 628 HB THR 79 HB THR 79 10.134 1.065 0.572 629 HG1 THR 79 HG1 THR 79 11.114 1.502 -1.677 630 1HG2 THR 79 HG21 THR 79 7.829 2.003 -1.185 631 2HG2 THR 79 HG22 THR 79 7.981 0.425 -0.379 632 3HG2 THR 79 HG23 THR 79 7.796 1.896 0.589 633 H PHE 80 H PHE 80 10.604 3.018 2.490 634 HA PHE 80 HA PHE 80 13.398 3.912 2.377 635 1HB PHE 80 HB2 PHE 80 11.655 2.788 4.584 636 2HB PHE 80 HB3 PHE 80 13.365 3.153 4.798 637 HD1 PHE 80 HD1 PHE 80 10.013 4.579 4.611 638 HD2 PHE 80 HD2 PHE 80 14.220 5.517 4.442 639 HE1 PHE 80 HE1 PHE 80 9.503 6.956 5.086 640 HE2 PHE 80 HE2 PHE 80 13.700 7.910 4.850 641 HZ PHE 80 HZ PHE 80 11.330 8.616 5.196 642 H ALA 81 H ALA 81 15.175 2.623 2.322 643 HA ALA 81 HA ALA 81 14.810 -0.288 1.816 644 1HB ALA 81 HB1 ALA 81 16.515 0.888 0.471 645 2HB ALA 81 HB2 ALA 81 17.323 1.425 1.961 646 3HB ALA 81 HB3 ALA 81 17.273 -0.294 1.542 647 H LYS 82 H LYS 82 16.448 -1.647 3.248 648 HA LYS 82 HA LYS 82 16.101 -0.832 6.111 649 1HB LYS 82 HB2 LYS 82 15.593 -3.533 4.805 650 2HB LYS 82 HB3 LYS 82 15.547 -3.229 6.543 651 1HG LYS 82 HG2 LYS 82 13.610 -1.774 6.338 652 2HG LYS 82 HG3 LYS 82 13.703 -1.782 4.576 653 1HD LYS 82 HD2 LYS 82 13.351 -4.242 4.542 654 2HD LYS 82 HD3 LYS 82 13.133 -4.227 6.304 655 1HE LYS 82 HE2 LYS 82 11.151 -2.853 6.115 656 2HE LYS 82 HE3 LYS 82 11.452 -2.547 4.395 657 1HZ LYS 82 HZ1 LYS 82 9.750 -4.227 4.712 658 2HZ LYS 82 HZ2 LYS 82 11.008 -4.850 3.922 659 3HZ LYS 82 HZ3 LYS 82 10.792 -5.209 5.522 660 H LYS 83 H LYS 83 17.546 -2.308 7.537 661 HA LYS 83 HA LYS 83 20.112 -2.987 6.231 662 1HB LYS 83 HB2 LYS 83 19.902 -1.318 8.771 663 2HB LYS 83 HB3 LYS 83 21.374 -1.871 7.971 664 1HG LYS 83 HG2 LYS 83 20.676 -0.493 5.939 665 2HG LYS 83 HG3 LYS 83 19.387 0.192 6.930 666 1HD LYS 83 HD2 LYS 83 22.386 0.439 7.337 667 2HD LYS 83 HD3 LYS 83 21.273 1.718 6.878 668 1HE LYS 83 HE2 LYS 83 21.424 0.315 9.587 669 2HE LYS 83 HE3 LYS 83 21.988 1.939 9.204 670 1HZ LYS 83 HZ1 LYS 83 19.624 2.493 8.670 671 2HZ LYS 83 HZ2 LYS 83 19.173 1.042 9.271 672 3HZ LYS 83 HZ3 LYS 83 19.891 2.130 10.247 Start of MODEL 11 1 1H ALA 1 H1 ALA 1 8.035 -7.445 -2.154 2 2H ALA 1 H2 ALA 1 7.968 -8.284 -3.565 3 3H ALA 1 H3 ALA 1 9.350 -7.525 -3.121 4 HA ALA 1 HA ALA 1 8.304 -6.293 -4.837 5 1HB ALA 1 HB1 ALA 1 5.995 -6.988 -4.513 6 2HB ALA 1 HB2 ALA 1 5.908 -6.145 -2.953 7 3HB ALA 1 HB3 ALA 1 6.107 -5.223 -4.459 8 H GLN 2 H GLN 2 7.085 -4.872 -1.750 9 HA GLN 2 HA GLN 2 9.513 -3.240 -1.433 10 1HB GLN 2 HB2 GLN 2 6.692 -2.140 -1.879 11 2HB GLN 2 HB3 GLN 2 7.984 -1.224 -1.111 12 1HG GLN 2 HG2 GLN 2 9.345 -1.326 -3.151 13 2HG GLN 2 HG3 GLN 2 8.090 -2.274 -3.963 14 1HE2 GLN 2 HE22 GLN 2 8.922 0.973 -2.703 15 2HE2 GLN 2 HE21 GLN 2 7.622 1.783 -3.552 16 H THR 3 H THR 3 9.439 -2.166 0.720 17 HA THR 3 HA THR 3 7.387 -2.943 2.622 18 HB THR 3 HB THR 3 9.358 -3.492 4.292 19 HG1 THR 3 HG1 THR 3 10.490 -4.029 1.768 20 1HG2 THR 3 HG21 THR 3 9.102 -5.864 3.947 21 2HG2 THR 3 HG22 THR 3 7.544 -5.081 3.653 22 3HG2 THR 3 HG23 THR 3 8.536 -5.622 2.281 23 H GLU 4 H GLU 4 8.016 -1.701 4.795 24 HA GLU 4 HA GLU 4 9.270 0.910 4.188 25 1HB GLU 4 HB2 GLU 4 6.404 0.354 5.034 26 2HB GLU 4 HB3 GLU 4 7.189 1.848 5.529 27 1HG GLU 4 HG2 GLU 4 7.084 1.034 2.605 28 2HG GLU 4 HG3 GLU 4 5.763 1.873 3.400 29 H GLN 5 H GLN 5 9.386 2.175 6.282 30 HA GLN 5 HA GLN 5 9.854 0.647 8.742 31 1HB GLN 5 HB2 GLN 5 12.006 2.009 7.035 32 2HB GLN 5 HB3 GLN 5 12.264 1.589 8.715 33 1HG GLN 5 HG2 GLN 5 11.757 -0.425 6.501 34 2HG GLN 5 HG3 GLN 5 13.313 0.047 7.161 35 1HE2 GLN 5 HE22 GLN 5 10.294 -1.687 7.891 36 2HE2 GLN 5 HE21 GLN 5 10.916 -2.548 9.291 37 HA PRO 6 HA PRO 6 9.751 5.152 10.092 38 1HB PRO 6 HB2 PRO 6 11.826 5.204 11.910 39 2HB PRO 6 HB3 PRO 6 10.177 4.632 12.305 40 1HG PRO 6 HG2 PRO 6 12.592 2.972 11.520 41 2HG PRO 6 HG3 PRO 6 11.475 2.715 12.899 42 1HD PRO 6 HD2 PRO 6 11.180 1.342 10.586 43 2HD PRO 6 HD3 PRO 6 9.755 1.934 11.472 44 HA PRO 7 HA PRO 7 12.668 6.877 7.333 45 1HB PRO 7 HB2 PRO 7 13.887 8.486 9.588 46 2HB PRO 7 HB3 PRO 7 13.478 9.015 7.924 47 1HG PRO 7 HG2 PRO 7 11.775 9.548 9.962 48 2HG PRO 7 HG3 PRO 7 11.133 8.947 8.399 49 1HD PRO 7 HD2 PRO 7 11.592 7.411 10.959 50 2HD PRO 7 HD3 PRO 7 10.230 7.309 9.803 51 H ASN 8 H ASN 8 14.586 6.336 6.385 52 HA ASN 8 HA ASN 8 16.734 5.119 8.030 53 1HB ASN 8 HB2 ASN 8 15.268 3.228 7.239 54 2HB ASN 8 HB3 ASN 8 15.467 3.793 5.581 55 1HD2 ASN 8 HD22 ASN 8 17.191 2.931 4.433 56 2HD2 ASN 8 HD21 ASN 8 18.548 2.108 5.193 57 H GLN 9 H GLN 9 18.703 5.447 7.202 58 HA GLN 9 HA GLN 9 19.408 7.654 5.742 59 1HB GLN 9 HB2 GLN 9 20.699 6.291 7.424 60 2HB GLN 9 HB3 GLN 9 20.929 5.044 6.193 61 1HG GLN 9 HG2 GLN 9 22.194 6.619 4.819 62 2HG GLN 9 HG3 GLN 9 21.861 7.913 6.000 63 1HE2 GLN 9 HE22 GLN 9 23.905 8.351 6.817 64 2HE2 GLN 9 HE21 GLN 9 24.978 7.135 7.493 65 H ILE 10 H ILE 10 18.530 4.593 4.440 66 HA ILE 10 HA ILE 10 19.496 5.269 1.712 67 HB ILE 10 HB ILE 10 19.769 2.658 3.253 68 1HG1 ILE 10 HG12 ILE 10 21.851 4.441 1.954 69 2HG1 ILE 10 HG13 ILE 10 21.533 4.321 3.682 70 1HG2 ILE 10 HG21 ILE 10 20.629 1.588 1.227 71 2HG2 ILE 10 HG22 ILE 10 19.035 2.208 0.857 72 3HG2 ILE 10 HG23 ILE 10 20.466 3.097 0.306 73 1HD1 ILE 10 HD11 ILE 10 22.718 2.158 1.924 74 2HD1 ILE 10 HD12 ILE 10 23.481 3.045 3.249 75 3HD1 ILE 10 HD13 ILE 10 22.176 1.897 3.601 76 H LEU 11 H LEU 11 18.118 4.589 0.082 77 HA LEU 11 HA LEU 11 15.294 4.023 0.900 78 1HB LEU 11 HB2 LEU 11 16.349 5.812 -1.327 79 2HB LEU 11 HB3 LEU 11 14.656 5.533 -0.940 80 HG LEU 11 HG LEU 11 16.654 6.944 0.892 81 1HD1 LEU 11 HD11 LEU 11 15.475 9.005 0.293 82 2HD1 LEU 11 HD12 LEU 11 16.196 8.251 -1.136 83 3HD1 LEU 11 HD13 LEU 11 14.450 8.112 -0.848 84 1HD2 LEU 11 HD21 LEU 11 14.903 5.899 2.192 85 2HD2 LEU 11 HD22 LEU 11 14.587 7.636 2.130 86 3HD2 LEU 11 HD23 LEU 11 13.638 6.531 1.111 87 H PHE 12 H PHE 12 14.109 2.787 -0.619 88 HA PHE 12 HA PHE 12 15.632 1.449 -2.812 89 1HB PHE 12 HB2 PHE 12 15.093 -0.219 -1.094 90 2HB PHE 12 HB3 PHE 12 13.423 0.347 -1.022 91 HD1 PHE 12 HD1 PHE 12 15.887 -0.848 -3.632 92 HD2 PHE 12 HD2 PHE 12 11.799 -0.846 -2.268 93 HE1 PHE 12 HE1 PHE 12 15.302 -2.469 -5.406 94 HE2 PHE 12 HE2 PHE 12 11.230 -2.515 -4.014 95 HZ PHE 12 HZ PHE 12 12.967 -3.321 -5.593 96 H LEU 13 H LEU 13 14.582 1.571 -4.784 97 HA LEU 13 HA LEU 13 12.092 3.200 -4.875 98 1HB LEU 13 HB2 LEU 13 14.717 3.557 -6.376 99 2HB LEU 13 HB3 LEU 13 13.177 4.144 -6.985 100 HG LEU 13 HG LEU 13 12.865 5.529 -4.955 101 1HD1 LEU 13 HD11 LEU 13 15.078 6.129 -3.741 102 2HD1 LEU 13 HD12 LEU 13 14.228 4.677 -3.242 103 3HD1 LEU 13 HD13 LEU 13 15.655 4.535 -4.290 104 1HD2 LEU 13 HD21 LEU 13 13.725 6.424 -7.081 105 2HD2 LEU 13 HD22 LEU 13 14.448 7.251 -5.708 106 3HD2 LEU 13 HD23 LEU 13 15.387 6.025 -6.584 107 H THR 14 H THR 14 10.828 2.883 -6.687 108 HA THR 14 HA THR 14 11.393 0.627 -8.511 109 HB THR 14 HB THR 14 9.080 -0.274 -8.007 110 HG1 THR 14 HG1 THR 14 9.342 1.179 -5.593 111 1HG2 THR 14 HG21 THR 14 10.924 -0.397 -5.590 112 2HG2 THR 14 HG22 THR 14 9.671 -1.565 -6.059 113 3HG2 THR 14 HG23 THR 14 11.126 -1.380 -7.047 114 H ASN 15 H ASN 15 9.475 0.449 -10.099 115 HA ASN 15 HA ASN 15 8.437 1.246 -11.868 116 1HB ASN 15 HB2 ASN 15 6.743 1.781 -10.094 117 2HB ASN 15 HB3 ASN 15 7.346 3.442 -10.089 118 1HD2 ASN 15 HD22 ASN 15 5.917 4.727 -11.234 119 2HD2 ASN 15 HD21 ASN 15 5.017 4.206 -12.657 120 H LEU 16 H LEU 16 11.132 2.140 -11.498 121 HA LEU 16 HA LEU 16 11.373 4.877 -12.472 122 1HB LEU 16 HB2 LEU 16 13.413 2.638 -12.628 123 2HB LEU 16 HB3 LEU 16 13.721 4.360 -12.703 124 HG LEU 16 HG LEU 16 12.738 2.859 -10.231 125 1HD1 LEU 16 HD11 LEU 16 14.956 3.183 -9.378 126 2HD1 LEU 16 HD12 LEU 16 15.044 2.295 -10.912 127 3HD1 LEU 16 HD13 LEU 16 15.473 4.009 -10.869 128 1HD2 LEU 16 HD21 LEU 16 13.665 5.738 -10.555 129 2HD2 LEU 16 HD22 LEU 16 11.989 5.215 -10.223 130 3HD2 LEU 16 HD23 LEU 16 13.258 4.948 -9.029 131 HA PRO 17 HA PRO 17 10.921 4.070 -16.925 132 1HB PRO 17 HB2 PRO 17 13.594 5.414 -17.187 133 2HB PRO 17 HB3 PRO 17 12.091 5.679 -18.118 134 1HG PRO 17 HG2 PRO 17 12.895 7.364 -16.139 135 2HG PRO 17 HG3 PRO 17 11.165 6.997 -16.406 136 1HD PRO 17 HD2 PRO 17 12.958 6.015 -14.230 137 2HD PRO 17 HD3 PRO 17 11.204 6.300 -14.221 138 H GLU 18 H GLU 18 11.684 2.390 -18.328 139 HA GLU 18 HA GLU 18 13.735 0.584 -17.433 140 1HB GLU 18 HB2 GLU 18 13.398 -0.518 -19.594 141 2HB GLU 18 HB3 GLU 18 11.863 -0.155 -18.808 142 1HG GLU 18 HG2 GLU 18 11.592 1.854 -20.269 143 2HG GLU 18 HG3 GLU 18 13.114 1.462 -21.072 144 H GLU 19 H GLU 19 14.026 3.647 -18.818 145 HA GLU 19 HA GLU 19 16.560 3.090 -20.093 146 1HB GLU 19 HB2 GLU 19 14.838 5.602 -19.906 147 2HB GLU 19 HB3 GLU 19 16.331 5.511 -20.833 148 1HG GLU 19 HG2 GLU 19 13.856 3.813 -21.378 149 2HG GLU 19 HG3 GLU 19 14.263 5.305 -22.201 150 H THR 20 H THR 20 15.748 3.564 -16.923 151 HA THR 20 HA THR 20 17.149 5.936 -16.207 152 HB THR 20 HB THR 20 16.446 3.543 -14.448 153 HG1 THR 20 HG1 THR 20 14.583 4.122 -15.299 154 1HG2 THR 20 HG21 THR 20 16.787 6.520 -13.837 155 2HG2 THR 20 HG22 THR 20 16.175 5.304 -12.699 156 3HG2 THR 20 HG23 THR 20 17.848 5.203 -13.275 157 H ASN 21 H ASN 21 19.140 6.237 -15.285 158 HA ASN 21 HA ASN 21 20.937 3.992 -14.841 159 1HB ASN 21 HB2 ASN 21 21.588 4.695 -17.092 160 2HB ASN 21 HB3 ASN 21 21.612 6.384 -16.603 161 1HD2 ASN 21 HD22 ASN 21 23.776 6.929 -16.869 162 2HD2 ASN 21 HD21 ASN 21 25.081 6.096 -16.065 163 H GLU 22 H GLU 22 22.788 4.889 -13.421 164 HA GLU 22 HA GLU 22 21.694 6.097 -11.125 165 1HB GLU 22 HB2 GLU 22 24.617 5.907 -11.989 166 2HB GLU 22 HB3 GLU 22 24.047 6.223 -10.334 167 1HG GLU 22 HG2 GLU 22 22.847 4.074 -10.334 168 2HG GLU 22 HG3 GLU 22 23.431 3.743 -11.978 169 H MET 23 H MET 23 23.243 7.570 -13.863 170 HA MET 23 HA MET 23 23.852 10.114 -12.758 171 1HB MET 23 HB2 MET 23 23.095 9.337 -15.605 172 2HB MET 23 HB3 MET 23 23.701 10.932 -15.140 173 1HG MET 23 HG2 MET 23 25.786 9.957 -14.315 174 2HG MET 23 HG3 MET 23 25.214 8.331 -14.692 175 1HE MET 23 HE1 MET 23 27.474 7.853 -15.977 176 2HE MET 23 HE2 MET 23 28.107 8.884 -17.277 177 3HE MET 23 HE3 MET 23 28.032 9.502 -15.613 178 H MET 24 H MET 24 20.780 8.897 -14.104 179 HA MET 24 HA MET 24 19.453 11.431 -14.252 180 1HB MET 24 HB2 MET 24 18.347 8.587 -13.959 181 2HB MET 24 HB3 MET 24 17.354 10.022 -14.190 182 1HG MET 24 HG2 MET 24 17.568 8.957 -16.269 183 2HG MET 24 HG3 MET 24 18.485 10.464 -16.345 184 1HE MET 24 HE1 MET 24 19.401 9.480 -18.691 185 2HE MET 24 HE2 MET 24 20.268 7.934 -18.827 186 3HE MET 24 HE3 MET 24 18.537 7.947 -18.426 187 H LEU 25 H LEU 25 19.373 8.826 -11.814 188 HA LEU 25 HA LEU 25 17.655 10.359 -10.058 189 1HB LEU 25 HB2 LEU 25 19.405 7.942 -9.475 190 2HB LEU 25 HB3 LEU 25 18.208 8.616 -8.371 191 HG LEU 25 HG LEU 25 17.718 7.223 -11.030 192 1HD1 LEU 25 HD11 LEU 25 16.396 5.691 -9.561 193 2HD1 LEU 25 HD12 LEU 25 18.109 5.753 -9.124 194 3HD1 LEU 25 HD13 LEU 25 16.918 6.636 -8.150 195 1HD2 LEU 25 HD21 LEU 25 16.129 9.018 -11.047 196 2HD2 LEU 25 HD22 LEU 25 15.258 7.584 -10.512 197 3HD2 LEU 25 HD23 LEU 25 15.764 8.804 -9.314 198 H SER 26 H SER 26 21.206 10.031 -10.417 199 HA SER 26 HA SER 26 21.840 11.232 -7.894 200 1HB SER 26 HB2 SER 26 23.429 11.259 -10.501 201 2HB SER 26 HB3 SER 26 24.049 11.692 -8.897 202 HG SER 26 HG SER 26 23.102 9.184 -9.816 203 H MET 27 H MET 27 21.365 12.583 -11.198 204 HA MET 27 HA MET 27 21.712 15.297 -10.556 205 1HB MET 27 HB2 MET 27 21.637 14.485 -12.810 206 2HB MET 27 HB3 MET 27 19.998 13.860 -12.637 207 1HG MET 27 HG2 MET 27 20.581 16.769 -12.208 208 2HG MET 27 HG3 MET 27 20.426 16.101 -13.841 209 1HE MET 27 HE1 MET 27 18.688 18.540 -12.621 210 2HE MET 27 HE2 MET 27 18.571 17.974 -14.304 211 3HE MET 27 HE3 MET 27 17.100 18.157 -13.322 212 H LEU 28 H LEU 28 18.721 13.280 -10.436 213 HA LEU 28 HA LEU 28 17.063 15.442 -9.617 214 1HB LEU 28 HB2 LEU 28 16.725 12.436 -9.311 215 2HB LEU 28 HB3 LEU 28 15.482 13.589 -8.839 216 HG LEU 28 HG LEU 28 16.599 13.371 -11.660 217 1HD1 LEU 28 HD11 LEU 28 14.491 12.245 -12.220 218 2HD1 LEU 28 HD12 LEU 28 15.366 11.332 -10.986 219 3HD1 LEU 28 HD13 LEU 28 13.969 12.331 -10.522 220 1HD2 LEU 28 HD21 LEU 28 15.679 15.607 -11.244 221 2HD2 LEU 28 HD22 LEU 28 14.584 14.699 -12.276 222 3HD2 LEU 28 HD23 LEU 28 14.204 14.899 -10.550 223 H PHE 29 H PHE 29 18.566 12.878 -7.600 224 HA PHE 29 HA PHE 29 17.358 14.047 -5.222 225 1HB PHE 29 HB2 PHE 29 19.257 11.729 -5.689 226 2HB PHE 29 HB3 PHE 29 18.855 12.332 -4.088 227 HD1 PHE 29 HD1 PHE 29 16.899 11.792 -2.944 228 HD2 PHE 29 HD2 PHE 29 17.261 10.803 -7.121 229 HE1 PHE 29 HE1 PHE 29 14.835 10.427 -2.799 230 HE2 PHE 29 HE2 PHE 29 15.219 9.425 -6.967 231 HZ PHE 29 HZ PHE 29 13.988 9.256 -4.822 232 H ASN 30 H ASN 30 20.580 14.401 -6.764 233 HA ASN 30 HA ASN 30 21.916 15.338 -4.466 234 1HB ASN 30 HB2 ASN 30 23.091 14.634 -6.436 235 2HB ASN 30 HB3 ASN 30 22.439 15.998 -7.365 236 1HD2 ASN 30 HD22 ASN 30 23.991 17.604 -7.619 237 2HD2 ASN 30 HD21 ASN 30 25.201 18.010 -6.432 238 H GLN 31 H GLN 31 19.349 16.866 -6.146 239 HA GLN 31 HA GLN 31 19.908 19.610 -5.752 240 1HB GLN 31 HB2 GLN 31 17.280 18.069 -5.668 241 2HB GLN 31 HB3 GLN 31 17.407 19.831 -5.690 242 1HG GLN 31 HG2 GLN 31 18.580 19.746 -7.872 243 2HG GLN 31 HG3 GLN 31 18.438 17.986 -7.888 244 1HE2 GLN 31 HE22 GLN 31 16.163 17.083 -7.741 245 2HE2 GLN 31 HE21 GLN 31 14.878 17.971 -8.552 246 H PHE 32 H PHE 32 19.089 17.044 -3.424 247 HA PHE 32 HA PHE 32 18.422 19.020 -1.341 248 1HB PHE 32 HB2 PHE 32 18.605 16.007 -1.103 249 2HB PHE 32 HB3 PHE 32 17.816 17.111 0.011 250 HD1 PHE 32 HD1 PHE 32 15.943 18.720 -1.287 251 HD2 PHE 32 HD2 PHE 32 17.233 14.817 -2.577 252 HE1 PHE 32 HE1 PHE 32 13.953 18.531 -2.760 253 HE2 PHE 32 HE2 PHE 32 15.249 14.621 -4.014 254 HZ PHE 32 HZ PHE 32 13.638 16.493 -4.171 255 HA PRO 33 HA PRO 33 22.678 19.078 -0.115 256 1HB PRO 33 HB2 PRO 33 22.568 20.407 2.272 257 2HB PRO 33 HB3 PRO 33 22.077 21.150 0.728 258 1HG PRO 33 HG2 PRO 33 20.278 19.813 2.776 259 2HG PRO 33 HG3 PRO 33 20.106 21.447 2.059 260 1HD PRO 33 HD2 PRO 33 18.778 19.288 1.055 261 2HD PRO 33 HD3 PRO 33 19.423 20.570 -0.015 262 H GLY 34 H GLY 34 21.346 16.512 0.411 263 1HA GLY 34 HA2 GLY 34 23.031 15.507 2.642 264 2HA GLY 34 HA3 GLY 34 21.288 15.172 2.642 265 H PHE 35 H PHE 35 21.998 15.155 -0.627 266 HA PHE 35 HA PHE 35 21.809 12.356 -0.912 267 1HB PHE 35 HB2 PHE 35 21.144 13.926 -2.625 268 2HB PHE 35 HB3 PHE 35 22.740 14.674 -2.629 269 HD1 PHE 35 HD1 PHE 35 20.813 11.686 -3.701 270 HD2 PHE 35 HD2 PHE 35 24.593 13.746 -3.877 271 HE1 PHE 35 HE1 PHE 35 21.503 10.242 -5.573 272 HE2 PHE 35 HE2 PHE 35 25.297 12.268 -5.750 273 HZ PHE 35 HZ PHE 35 23.747 10.532 -6.599 274 H LYS 36 H LYS 36 23.339 10.873 -1.486 275 HA LYS 36 HA LYS 36 26.206 11.658 -1.452 276 1HB LYS 36 HB2 LYS 36 24.976 9.341 0.080 277 2HB LYS 36 HB3 LYS 36 26.684 9.424 -0.365 278 1HG LYS 36 HG2 LYS 36 26.981 11.500 0.897 279 2HG LYS 36 HG3 LYS 36 25.254 11.578 1.257 280 1HD LYS 36 HD2 LYS 36 26.575 10.759 3.185 281 2HD LYS 36 HD3 LYS 36 25.336 9.635 2.636 282 1HE LYS 36 HE2 LYS 36 27.215 8.336 3.167 283 2HE LYS 36 HE3 LYS 36 27.016 8.321 1.414 284 1HZ LYS 36 HZ1 LYS 36 29.337 8.625 2.064 285 2HZ LYS 36 HZ2 LYS 36 28.834 9.958 1.279 286 3HZ LYS 36 HZ3 LYS 36 28.991 9.971 2.908 287 H GLU 37 H GLU 37 23.907 8.889 -2.326 288 HA GLU 37 HA GLU 37 25.218 8.800 -4.924 289 1HB GLU 37 HB2 GLU 37 26.595 7.519 -2.828 290 2HB GLU 37 HB3 GLU 37 25.734 6.195 -3.592 291 1HG GLU 37 HG2 GLU 37 26.756 6.653 -5.728 292 2HG GLU 37 HG3 GLU 37 27.346 8.227 -5.201 293 H VAL 38 H VAL 38 24.649 6.636 -6.111 294 HA VAL 38 HA VAL 38 21.923 5.663 -5.455 295 HB VAL 38 HB VAL 38 22.933 6.641 -8.168 296 1HG1 VAL 38 HG11 VAL 38 21.364 4.765 -8.480 297 2HG1 VAL 38 HG12 VAL 38 20.175 5.565 -7.426 298 3HG1 VAL 38 HG13 VAL 38 20.645 6.264 -8.991 299 1HG2 VAL 38 HG21 VAL 38 21.164 8.368 -8.010 300 2HG2 VAL 38 HG22 VAL 38 20.830 7.861 -6.338 301 3HG2 VAL 38 HG23 VAL 38 22.406 8.557 -6.790 302 H ARG 39 H ARG 39 21.530 3.535 -6.278 303 HA ARG 39 HA ARG 39 23.666 2.199 -7.821 304 1HB ARG 39 HB2 ARG 39 22.401 1.095 -5.282 305 2HB ARG 39 HB3 ARG 39 23.152 0.066 -6.502 306 1HG ARG 39 HG2 ARG 39 24.572 2.324 -5.064 307 2HG ARG 39 HG3 ARG 39 24.634 0.625 -4.577 308 1HD ARG 39 HD2 ARG 39 25.658 0.022 -6.748 309 2HD ARG 39 HD3 ARG 39 25.633 1.716 -7.250 310 HE ARG 39 HE ARG 39 27.480 0.429 -5.419 311 1HH1 ARG 39 HH11 ARG 39 26.097 3.624 -6.361 312 2HH1 ARG 39 HH12 ARG 39 27.450 4.469 -5.621 313 1HH2 ARG 39 HH21 ARG 39 29.206 1.748 -4.482 314 2HH2 ARG 39 HH22 ARG 39 29.066 3.491 -4.612 315 H LEU 40 H LEU 40 22.715 1.777 -9.632 316 HA LEU 40 HA LEU 40 19.786 1.264 -9.820 317 1HB LEU 40 HB2 LEU 40 21.961 1.982 -11.728 318 2HB LEU 40 HB3 LEU 40 20.942 0.707 -12.317 319 HG LEU 40 HG LEU 40 20.235 2.967 -13.045 320 1HD1 LEU 40 HD11 LEU 40 18.643 1.128 -13.038 321 2HD1 LEU 40 HD12 LEU 40 18.156 1.517 -11.373 322 3HD1 LEU 40 HD13 LEU 40 17.843 2.662 -12.682 323 1HD2 LEU 40 HD21 LEU 40 20.759 4.200 -10.967 324 2HD2 LEU 40 HD22 LEU 40 19.137 4.529 -11.563 325 3HD2 LEU 40 HD23 LEU 40 19.373 3.460 -10.170 326 H VAL 41 H VAL 41 19.197 -0.718 -11.080 327 HA VAL 41 HA VAL 41 20.969 -3.051 -10.485 328 HB VAL 41 HB VAL 41 17.943 -3.039 -10.553 329 1HG1 VAL 41 HG11 VAL 41 18.910 -5.176 -11.314 330 2HG1 VAL 41 HG12 VAL 41 19.964 -5.230 -9.883 331 3HG1 VAL 41 HG13 VAL 41 18.204 -5.365 -9.711 332 1HG2 VAL 41 HG21 VAL 41 18.684 -1.947 -8.490 333 2HG2 VAL 41 HG22 VAL 41 18.155 -3.587 -8.104 334 3HG2 VAL 41 HG23 VAL 41 19.889 -3.222 -8.204 335 HA PRO 42 HA PRO 42 20.651 -2.191 -14.920 336 1HB PRO 42 HB2 PRO 42 23.183 -2.873 -15.750 337 2HB PRO 42 HB3 PRO 42 22.838 -1.383 -14.828 338 1HG PRO 42 HG2 PRO 42 23.747 -4.065 -13.724 339 2HG PRO 42 HG3 PRO 42 24.487 -2.452 -13.446 340 1HD PRO 42 HD2 PRO 42 22.718 -3.529 -11.689 341 2HD PRO 42 HD3 PRO 42 22.711 -1.775 -12.051 342 H ASN 43 H ASN 43 19.746 -4.562 -13.604 343 HA ASN 43 HA ASN 43 19.737 -6.432 -15.841 344 1HB ASN 43 HB2 ASN 43 19.629 -7.188 -12.889 345 2HB ASN 43 HB3 ASN 43 19.299 -8.290 -14.215 346 1HD2 ASN 43 HD22 ASN 43 21.827 -6.821 -12.322 347 2HD2 ASN 43 HD21 ASN 43 23.165 -7.525 -13.190 348 H ARG 44 H ARG 44 17.985 -4.305 -13.721 349 HA ARG 44 HA ARG 44 15.495 -5.239 -15.052 350 1HB ARG 44 HB2 ARG 44 16.027 -5.014 -12.120 351 2HB ARG 44 HB3 ARG 44 14.571 -4.210 -12.676 352 1HG ARG 44 HG2 ARG 44 13.893 -6.342 -13.869 353 2HG ARG 44 HG3 ARG 44 15.295 -7.132 -13.134 354 1HD ARG 44 HD2 ARG 44 13.304 -7.644 -11.863 355 2HD ARG 44 HD3 ARG 44 14.369 -6.628 -10.877 356 HE ARG 44 HE ARG 44 12.685 -4.816 -12.139 357 1HH1 ARG 44 HH21 ARG 44 12.140 -7.615 -10.006 358 2HH1 ARG 44 HH22 ARG 44 10.672 -6.997 -9.349 359 1HH2 ARG 44 HH11 ARG 44 10.769 -3.992 -11.288 360 2HH2 ARG 44 HH12 ARG 44 9.861 -4.888 -10.106 361 H HIS 45 H HIS 45 17.335 -2.546 -13.703 362 HA HIS 45 HA HIS 45 17.336 -0.387 -13.961 363 1HB HIS 45 HB2 HIS 45 15.812 -0.822 -16.543 364 2HB HIS 45 HB3 HIS 45 16.664 0.638 -16.068 365 HD1 HIS 45 HD1 HIS 45 17.371 -2.848 -17.462 366 HD2 HIS 45 HD2 HIS 45 19.363 0.627 -16.164 367 HE1 HIS 45 HE1 HIS 45 19.778 -3.062 -18.259 368 H ASP 46 H ASP 46 14.094 -1.784 -13.900 369 HA ASP 46 HA ASP 46 12.803 0.777 -13.562 370 1HB ASP 46 HB2 ASP 46 10.790 -0.366 -13.467 371 2HB ASP 46 HB3 ASP 46 11.757 -1.283 -14.616 372 H ILE 47 H ILE 47 14.738 -1.001 -11.463 373 HA ILE 47 HA ILE 47 13.540 0.303 -9.097 374 HB ILE 47 HB ILE 47 14.067 -1.646 -7.776 375 1HG1 ILE 47 HG12 ILE 47 15.509 -2.563 -10.283 376 2HG1 ILE 47 HG13 ILE 47 16.092 -2.436 -8.620 377 1HG2 ILE 47 HG21 ILE 47 11.905 -1.606 -9.149 378 2HG2 ILE 47 HG22 ILE 47 12.688 -2.751 -10.239 379 3HG2 ILE 47 HG23 ILE 47 12.422 -3.187 -8.542 380 1HD1 ILE 47 HD11 ILE 47 15.903 -4.731 -9.243 381 2HD1 ILE 47 HD12 ILE 47 14.624 -4.378 -8.046 382 3HD1 ILE 47 HD13 ILE 47 14.242 -4.485 -9.800 383 H ALA 48 H ALA 48 15.153 0.661 -7.365 384 HA ALA 48 HA ALA 48 17.992 0.541 -7.953 385 1HB ALA 48 HB1 ALA 48 17.322 2.536 -9.351 386 2HB ALA 48 HB2 ALA 48 16.669 3.300 -7.880 387 3HB ALA 48 HB3 ALA 48 18.402 2.974 -8.023 388 H PHE 49 H PHE 49 19.173 1.948 -6.264 389 HA PHE 49 HA PHE 49 17.655 2.299 -3.762 390 1HB PHE 49 HB2 PHE 49 20.431 1.074 -4.042 391 2HB PHE 49 HB3 PHE 49 19.748 1.634 -2.529 392 HD1 PHE 49 HD1 PHE 49 19.394 -0.931 -5.221 393 HD2 PHE 49 HD2 PHE 49 18.224 0.295 -1.251 394 HE1 PHE 49 HE1 PHE 49 18.416 -3.177 -4.814 395 HE2 PHE 49 HE2 PHE 49 17.286 -1.968 -0.834 396 HZ PHE 49 HZ PHE 49 17.382 -3.706 -2.612 397 H VAL 50 H VAL 50 18.489 4.103 -2.522 398 HA VAL 50 HA VAL 50 20.516 5.834 -3.839 399 HB VAL 50 HB VAL 50 17.784 6.755 -2.843 400 1HG1 VAL 50 HG11 VAL 50 20.033 8.328 -4.170 401 2HG1 VAL 50 HG12 VAL 50 18.412 8.949 -3.794 402 3HG1 VAL 50 HG13 VAL 50 19.499 8.474 -2.487 403 1HG2 VAL 50 HG21 VAL 50 17.546 5.615 -5.005 404 2HG2 VAL 50 HG22 VAL 50 17.313 7.354 -5.194 405 3HG2 VAL 50 HG23 VAL 50 18.846 6.602 -5.693 406 H GLU 51 H GLU 51 21.724 7.046 -2.326 407 HA GLU 51 HA GLU 51 21.475 6.153 0.511 408 1HB GLU 51 HB2 GLU 51 23.219 4.903 -0.669 409 2HB GLU 51 HB3 GLU 51 23.919 6.399 -1.301 410 1HG GLU 51 HG2 GLU 51 24.498 7.122 0.993 411 2HG GLU 51 HG3 GLU 51 23.767 5.664 1.656 412 H PHE 52 H PHE 52 21.548 7.747 1.976 413 HA PHE 52 HA PHE 52 22.314 10.498 1.142 414 1HB PHE 52 HB2 PHE 52 19.790 9.349 2.227 415 2HB PHE 52 HB3 PHE 52 20.351 10.782 3.066 416 HD1 PHE 52 HD1 PHE 52 19.851 9.511 -0.437 417 HD2 PHE 52 HD2 PHE 52 19.650 12.861 2.264 418 HE1 PHE 52 HE1 PHE 52 19.034 10.938 -2.277 419 HE2 PHE 52 HE2 PHE 52 18.801 14.291 0.426 420 HZ PHE 52 HZ PHE 52 18.562 13.347 -1.866 421 H THR 53 H THR 53 22.731 11.867 2.975 422 HA THR 53 HA THR 53 24.718 10.850 4.739 423 HB THR 53 HB THR 53 23.128 13.455 4.688 424 HG1 THR 53 HG1 THR 53 24.309 13.161 2.842 425 1HG2 THR 53 HG21 THR 53 24.096 13.257 6.881 426 2HG2 THR 53 HG22 THR 53 25.667 12.760 6.212 427 3HG2 THR 53 HG23 THR 53 25.056 14.416 5.952 428 H THR 54 H THR 54 21.359 12.037 5.416 429 HA THR 54 HA THR 54 21.407 10.527 7.967 430 HB THR 54 HB THR 54 20.055 12.779 8.623 431 HG1 THR 54 HG1 THR 54 21.152 14.557 7.809 432 1HG2 THR 54 HG21 THR 54 21.892 11.871 9.911 433 2HG2 THR 54 HG22 THR 54 23.076 12.415 8.709 434 3HG2 THR 54 HG23 THR 54 22.156 13.603 9.663 435 H GLU 55 H GLU 55 19.500 9.937 8.765 436 HA GLU 55 HA GLU 55 17.676 8.854 6.907 437 1HB GLU 55 HB2 GLU 55 17.135 9.289 9.872 438 2HB GLU 55 HB3 GLU 55 16.438 8.081 8.797 439 1HG GLU 55 HG2 GLU 55 18.010 6.720 9.696 440 2HG GLU 55 HG3 GLU 55 19.061 7.442 8.480 441 H LEU 56 H LEU 56 17.470 11.835 8.866 442 HA LEU 56 HA LEU 56 14.734 12.455 8.229 443 1HB LEU 56 HB2 LEU 56 17.087 14.020 9.331 444 2HB LEU 56 HB3 LEU 56 15.645 14.866 8.785 445 HG LEU 56 HG LEU 56 14.223 13.608 10.330 446 1HD1 LEU 56 HD11 LEU 56 15.425 11.498 10.602 447 2HD1 LEU 56 HD12 LEU 56 16.809 12.343 11.341 448 3HD1 LEU 56 HD13 LEU 56 15.240 12.273 12.174 449 1HD2 LEU 56 HD21 LEU 56 15.216 15.763 11.006 450 2HD2 LEU 56 HD22 LEU 56 15.014 14.688 12.396 451 3HD2 LEU 56 HD23 LEU 56 16.626 14.915 11.678 452 H GLN 57 H GLN 57 17.865 13.290 6.634 453 HA GLN 57 HA GLN 57 16.538 14.994 4.678 454 1HB GLN 57 HB2 GLN 57 19.319 13.738 4.653 455 2HB GLN 57 HB3 GLN 57 18.693 14.916 3.484 456 1HG GLN 57 HG2 GLN 57 18.203 16.444 5.510 457 2HG GLN 57 HG3 GLN 57 19.218 15.342 6.448 458 1HE2 GLN 57 HE22 GLN 57 21.515 15.080 5.726 459 2HE2 GLN 57 HE21 GLN 57 22.268 16.378 4.797 460 H SER 58 H SER 58 17.516 11.569 4.838 461 HA SER 58 HA SER 58 16.782 10.764 2.228 462 1HB SER 58 HB2 SER 58 16.220 9.139 4.737 463 2HB SER 58 HB3 SER 58 16.585 8.558 3.117 464 HG SER 58 HG SER 58 18.409 9.990 4.806 465 H ASN 59 H ASN 59 14.752 11.031 5.211 466 HA ASN 59 HA ASN 59 12.282 10.405 3.988 467 1HB ASN 59 HB2 ASN 59 12.486 10.397 6.391 468 2HB ASN 59 HB3 ASN 59 12.953 12.090 6.422 469 1HD2 ASN 59 HD22 ASN 59 11.316 13.457 7.034 470 2HD2 ASN 59 HD21 ASN 59 9.620 13.175 6.739 471 H ALA 60 H ALA 60 13.842 13.611 4.424 472 HA ALA 60 HA ALA 60 11.702 15.103 3.301 473 1HB ALA 60 HB1 ALA 60 14.681 15.749 3.219 474 2HB ALA 60 HB2 ALA 60 13.343 16.893 2.985 475 3HB ALA 60 HB3 ALA 60 13.574 16.118 4.566 476 H ALA 61 H ALA 61 14.529 13.624 1.696 477 HA ALA 61 HA ALA 61 13.869 14.553 -0.934 478 1HB ALA 61 HB1 ALA 61 15.455 12.082 -0.105 479 2HB ALA 61 HB2 ALA 61 15.437 12.869 -1.699 480 3HB ALA 61 HB3 ALA 61 16.113 13.725 -0.300 481 H LYS 62 H LYS 62 13.034 11.551 0.858 482 HA LYS 62 HA LYS 62 11.599 10.251 -1.208 483 1HB LYS 62 HB2 LYS 62 12.262 9.133 0.854 484 2HB LYS 62 HB3 LYS 62 11.261 10.217 1.819 485 1HG LYS 62 HG2 LYS 62 9.216 9.316 0.719 486 2HG LYS 62 HG3 LYS 62 10.235 8.182 -0.185 487 1HD LYS 62 HD2 LYS 62 11.041 7.206 1.959 488 2HD LYS 62 HD3 LYS 62 10.032 8.374 2.845 489 1HE LYS 62 HE2 LYS 62 8.014 7.450 1.641 490 2HE LYS 62 HE3 LYS 62 9.047 6.199 0.940 491 1HZ LYS 62 HZ1 LYS 62 7.957 5.380 2.914 492 2HZ LYS 62 HZ2 LYS 62 9.538 5.462 3.228 493 3HZ LYS 62 HZ3 LYS 62 8.529 6.614 3.829 494 H GLU 63 H GLU 63 10.378 12.512 1.351 495 HA GLU 63 HA GLU 63 7.712 12.591 0.437 496 1HB GLU 63 HB2 GLU 63 9.434 14.661 1.864 497 2HB GLU 63 HB3 GLU 63 7.710 14.885 1.594 498 1HG GLU 63 HG2 GLU 63 8.828 12.478 3.092 499 2HG GLU 63 HG3 GLU 63 8.433 14.000 3.875 500 H ALA 64 H ALA 64 10.540 14.484 -0.583 501 HA ALA 64 HA ALA 64 9.133 16.324 -2.228 502 1HB ALA 64 HB1 ALA 64 11.399 16.689 -1.299 503 2HB ALA 64 HB2 ALA 64 12.028 15.404 -2.359 504 3HB ALA 64 HB3 ALA 64 11.366 16.892 -3.065 505 H LEU 65 H LEU 65 10.680 13.157 -3.036 506 HA LEU 65 HA LEU 65 9.866 13.588 -5.881 507 1HB LEU 65 HB2 LEU 65 12.151 11.996 -4.680 508 2HB LEU 65 HB3 LEU 65 11.708 11.964 -6.383 509 HG LEU 65 HG LEU 65 12.687 14.405 -4.864 510 1HD1 LEU 65 HD11 LEU 65 13.991 12.683 -7.019 511 2HD1 LEU 65 HD12 LEU 65 14.683 14.162 -6.316 512 3HD1 LEU 65 HD13 LEU 65 14.432 12.731 -5.304 513 1HD2 LEU 65 HD21 LEU 65 12.828 15.481 -7.114 514 2HD2 LEU 65 HD22 LEU 65 11.975 14.092 -7.816 515 3HD2 LEU 65 HD23 LEU 65 11.164 15.154 -6.640 516 H GLN 66 H GLN 66 8.742 11.733 -3.288 517 HA GLN 66 HA GLN 66 8.081 9.352 -4.736 518 1HB GLN 66 HB2 GLN 66 6.797 10.827 -2.423 519 2HB GLN 66 HB3 GLN 66 5.863 9.597 -3.278 520 1HG GLN 66 HG2 GLN 66 7.702 7.950 -2.921 521 2HG GLN 66 HG3 GLN 66 8.526 9.119 -1.894 522 1HE2 GLN 66 HE22 GLN 66 7.317 6.394 -1.230 523 2HE2 GLN 66 HE21 GLN 66 6.105 6.713 -0.015 524 H GLY 67 H GLY 67 6.791 9.005 -6.411 525 1HA GLY 67 HA2 GLY 67 5.075 9.205 -7.903 526 2HA GLY 67 HA3 GLY 67 4.478 10.646 -7.071 527 H PHE 68 H PHE 68 7.849 10.972 -7.821 528 HA PHE 68 HA PHE 68 7.253 13.161 -9.612 529 1HB PHE 68 HB2 PHE 68 9.125 13.196 -8.018 530 2HB PHE 68 HB3 PHE 68 9.875 11.820 -8.824 531 HD1 PHE 68 HD1 PHE 68 9.053 15.434 -9.096 532 HD2 PHE 68 HD2 PHE 68 11.110 12.100 -10.908 533 HE1 PHE 68 HE1 PHE 68 10.275 16.995 -10.589 534 HE2 PHE 68 HE2 PHE 68 12.318 13.665 -12.403 535 HZ PHE 68 HZ PHE 68 11.911 16.113 -12.245 536 H LYS 69 H LYS 69 6.944 12.994 -11.788 537 HA LYS 69 HA LYS 69 7.398 10.536 -13.281 538 1HB LYS 69 HB2 LYS 69 6.473 13.315 -13.940 539 2HB LYS 69 HB3 LYS 69 7.374 12.485 -15.209 540 1HG LYS 69 HG2 LYS 69 5.052 12.066 -15.544 541 2HG LYS 69 HG3 LYS 69 5.899 10.576 -15.141 542 1HD LYS 69 HD2 LYS 69 5.057 10.877 -12.738 543 2HD LYS 69 HD3 LYS 69 4.051 12.200 -13.327 544 1HE LYS 69 HE2 LYS 69 4.001 9.320 -14.359 545 2HE LYS 69 HE3 LYS 69 2.902 9.964 -13.128 546 1HZ LYS 69 HZ1 LYS 69 3.006 10.710 -15.980 547 2HZ LYS 69 HZ2 LYS 69 1.768 10.058 -15.161 548 3HZ LYS 69 HZ3 LYS 69 2.175 11.607 -14.864 549 H ILE 70 H ILE 70 9.343 9.741 -13.575 550 HA ILE 70 HA ILE 70 11.735 11.510 -13.826 551 HB ILE 70 HB ILE 70 11.417 8.521 -14.171 552 1HG1 ILE 70 HG12 ILE 70 12.766 9.975 -11.862 553 2HG1 ILE 70 HG13 ILE 70 11.074 9.490 -11.804 554 1HG2 ILE 70 HG21 ILE 70 13.324 9.520 -15.456 555 2HG2 ILE 70 HG22 ILE 70 13.914 10.277 -13.966 556 3HG2 ILE 70 HG23 ILE 70 13.909 8.507 -14.137 557 1HD1 ILE 70 HD11 ILE 70 12.492 7.816 -10.722 558 2HD1 ILE 70 HD12 ILE 70 11.647 7.146 -12.117 559 3HD1 ILE 70 HD13 ILE 70 13.380 7.549 -12.223 560 H THR 71 H THR 71 9.583 9.336 -15.725 561 HA THR 71 HA THR 71 9.891 11.059 -18.082 562 HB THR 71 HB THR 71 9.837 7.993 -18.034 563 HG1 THR 71 HG1 THR 71 11.963 9.791 -18.543 564 1HG2 THR 71 HG21 THR 71 10.467 8.073 -20.429 565 2HG2 THR 71 HG22 THR 71 8.845 8.686 -20.114 566 3HG2 THR 71 HG23 THR 71 10.184 9.827 -20.431 567 HA PRO 72 HA PRO 72 5.722 11.686 -17.598 568 1HB PRO 72 HB2 PRO 72 5.216 10.621 -20.384 569 2HB PRO 72 HB3 PRO 72 4.484 12.052 -19.583 570 1HG PRO 72 HG2 PRO 72 6.600 12.407 -21.209 571 2HG PRO 72 HG3 PRO 72 6.580 13.228 -19.612 572 1HD PRO 72 HD2 PRO 72 8.032 10.731 -20.439 573 2HD PRO 72 HD3 PRO 72 8.602 12.079 -19.411 574 H THR 73 H THR 73 6.383 8.333 -18.426 575 HA THR 73 HA THR 73 3.728 7.498 -17.442 576 HB THR 73 HB THR 73 4.409 5.392 -18.797 577 HG1 THR 73 HG1 THR 73 6.099 5.778 -20.299 578 1HG2 THR 73 HG21 THR 73 2.862 7.129 -19.718 579 2HG2 THR 73 HG22 THR 73 4.259 7.991 -20.399 580 3HG2 THR 73 HG23 THR 73 3.853 6.357 -20.966 581 H HIS 74 H HIS 74 6.647 7.967 -16.133 582 HA HIS 74 HA HIS 74 6.632 5.478 -14.498 583 1HB HIS 74 HB2 HIS 74 8.943 6.745 -15.992 584 2HB HIS 74 HB3 HIS 74 9.129 5.587 -14.671 585 HD1 HIS 74 HD1 HIS 74 7.712 5.641 -18.304 586 HD2 HIS 74 HD2 HIS 74 8.639 3.030 -15.128 587 HE1 HIS 74 HE1 HIS 74 7.636 3.300 -19.259 588 H ALA 75 H ALA 75 5.418 6.867 -13.155 589 HA ALA 75 HA ALA 75 6.631 9.065 -11.699 590 1HB ALA 75 HB1 ALA 75 4.350 7.161 -10.968 591 2HB ALA 75 HB2 ALA 75 4.791 8.637 -10.096 592 3HB ALA 75 HB3 ALA 75 4.174 8.746 -11.748 593 H MET 76 H MET 76 8.454 8.722 -10.590 594 HA MET 76 HA MET 76 9.643 6.399 -9.663 595 1HB MET 76 HB2 MET 76 10.547 8.763 -9.783 596 2HB MET 76 HB3 MET 76 9.606 9.165 -8.355 597 1HG MET 76 HG2 MET 76 10.861 7.341 -7.124 598 2HG MET 76 HG3 MET 76 11.891 7.172 -8.546 599 1HE MET 76 HE1 MET 76 13.550 10.871 -8.554 600 2HE MET 76 HE2 MET 76 13.437 9.359 -9.470 601 3HE MET 76 HE3 MET 76 12.034 10.450 -9.375 602 H LYS 77 H LYS 77 9.233 4.989 -7.984 603 HA LYS 77 HA LYS 77 7.446 5.912 -5.755 604 1HB LYS 77 HB2 LYS 77 7.990 3.166 -6.915 605 2HB LYS 77 HB3 LYS 77 7.317 3.411 -5.294 606 1HG LYS 77 HG2 LYS 77 5.464 4.780 -6.454 607 2HG LYS 77 HG3 LYS 77 6.051 4.082 -7.974 608 1HD LYS 77 HD2 LYS 77 5.134 2.506 -5.522 609 2HD LYS 77 HD3 LYS 77 4.130 2.825 -6.940 610 1HE LYS 77 HE2 LYS 77 5.476 1.467 -8.361 611 2HE LYS 77 HE3 LYS 77 6.806 1.407 -7.195 612 1HZ LYS 77 HZ1 LYS 77 5.530 0.031 -5.772 613 2HZ LYS 77 HZ2 LYS 77 4.177 0.151 -6.709 614 3HZ LYS 77 HZ3 LYS 77 5.497 -0.640 -7.256 615 H ILE 78 H ILE 78 8.314 5.606 -3.676 616 HA ILE 78 HA ILE 78 11.172 4.855 -3.457 617 HB ILE 78 HB ILE 78 9.996 7.366 -2.230 618 1HG1 ILE 78 HG12 ILE 78 11.708 7.340 -4.741 619 2HG1 ILE 78 HG13 ILE 78 10.000 7.763 -4.658 620 1HG2 ILE 78 HG21 ILE 78 11.993 6.313 -1.098 621 2HG2 ILE 78 HG22 ILE 78 12.914 6.589 -2.589 622 3HG2 ILE 78 HG23 ILE 78 12.277 7.946 -1.644 623 1HD1 ILE 78 HD11 ILE 78 11.273 9.774 -4.749 624 2HD1 ILE 78 HD12 ILE 78 10.546 9.647 -3.140 625 3HD1 ILE 78 HD13 ILE 78 12.273 9.312 -3.374 626 H THR 79 H THR 79 11.572 3.883 -1.490 627 HA THR 79 HA THR 79 9.591 3.876 0.693 628 HB THR 79 HB THR 79 10.254 1.239 0.597 629 HG1 THR 79 HG1 THR 79 11.186 1.775 -1.648 630 1HG2 THR 79 HG21 THR 79 8.025 0.836 -0.316 631 2HG2 THR 79 HG22 THR 79 7.973 2.230 0.754 632 3HG2 THR 79 HG23 THR 79 7.965 2.482 -0.993 633 H PHE 80 H PHE 80 10.650 3.129 2.747 634 HA PHE 80 HA PHE 80 13.465 3.966 2.793 635 1HB PHE 80 HB2 PHE 80 11.582 2.857 4.903 636 2HB PHE 80 HB3 PHE 80 13.260 3.266 5.225 637 HD1 PHE 80 HD1 PHE 80 10.076 4.488 5.668 638 HD2 PHE 80 HD2 PHE 80 13.915 5.772 4.192 639 HE1 PHE 80 HE1 PHE 80 9.464 6.851 6.115 640 HE2 PHE 80 HE2 PHE 80 13.259 8.133 4.525 641 HZ PHE 80 HZ PHE 80 11.021 8.676 5.484 642 H ALA 81 H ALA 81 15.227 2.649 2.665 643 HA ALA 81 HA ALA 81 14.872 -0.229 2.201 644 1HB ALA 81 HB1 ALA 81 17.250 -0.261 1.795 645 2HB ALA 81 HB2 ALA 81 16.590 1.149 0.967 646 3HB ALA 81 HB3 ALA 81 17.461 1.343 2.511 647 H LYS 82 H LYS 82 16.798 -1.488 3.510 648 HA LYS 82 HA LYS 82 16.323 -1.047 6.427 649 1HB LYS 82 HB2 LYS 82 15.925 -3.601 4.820 650 2HB LYS 82 HB3 LYS 82 15.893 -3.503 6.586 651 1HG LYS 82 HG2 LYS 82 13.975 -2.004 6.529 652 2HG LYS 82 HG3 LYS 82 13.973 -1.954 4.774 653 1HD LYS 82 HD2 LYS 82 13.365 -4.388 6.493 654 2HD LYS 82 HD3 LYS 82 12.223 -3.426 5.536 655 1HE LYS 82 HE2 LYS 82 13.635 -4.037 3.476 656 2HE LYS 82 HE3 LYS 82 14.478 -5.203 4.507 657 1HZ LYS 82 HZ1 LYS 82 12.734 -6.309 3.371 658 2HZ LYS 82 HZ2 LYS 82 12.236 -6.202 4.924 659 3HZ LYS 82 HZ3 LYS 82 11.625 -5.185 3.768 660 H LYS 83 H LYS 83 18.413 -0.448 6.889 661 HA LYS 83 HA LYS 83 20.772 -1.733 5.813 662 1HB LYS 83 HB2 LYS 83 20.316 -0.071 8.331 663 2HB LYS 83 HB3 LYS 83 21.885 -0.709 7.825 664 1HG LYS 83 HG2 LYS 83 21.735 0.544 5.686 665 2HG LYS 83 HG3 LYS 83 20.158 1.180 6.162 666 1HD LYS 83 HD2 LYS 83 21.812 2.876 6.546 667 2HD LYS 83 HD3 LYS 83 21.205 2.317 8.115 668 1HE LYS 83 HE2 LYS 83 23.240 0.863 8.341 669 2HE LYS 83 HE3 LYS 83 23.816 1.454 6.775 670 1HZ LYS 83 HZ1 LYS 83 23.862 3.701 7.750 671 2HZ LYS 83 HZ2 LYS 83 23.426 3.095 9.209 672 3HZ LYS 83 HZ3 LYS 83 24.854 2.670 8.548 Start of MODEL 12 1 1H ALA 1 H1 ALA 1 12.926 -4.767 -2.668 2 2H ALA 1 H2 ALA 1 12.869 -5.854 -1.451 3 3H ALA 1 H3 ALA 1 12.751 -6.370 -3.010 4 HA ALA 1 HA ALA 1 10.673 -5.272 -3.305 5 1HB ALA 1 HB1 ALA 1 9.254 -6.562 -1.763 6 2HB ALA 1 HB2 ALA 1 10.552 -7.575 -2.415 7 3HB ALA 1 HB3 ALA 1 10.661 -6.950 -0.752 8 H GLN 2 H GLN 2 9.057 -3.821 -2.550 9 HA GLN 2 HA GLN 2 10.078 -1.656 -0.961 10 1HB GLN 2 HB2 GLN 2 7.228 -2.296 -1.880 11 2HB GLN 2 HB3 GLN 2 7.746 -0.792 -1.132 12 1HG GLN 2 HG2 GLN 2 9.437 -0.581 -3.082 13 2HG GLN 2 HG3 GLN 2 8.501 -1.855 -3.870 14 1HE2 GLN 2 HE22 GLN 2 8.398 1.443 -2.545 15 2HE2 GLN 2 HE21 GLN 2 6.954 1.964 -3.408 16 H THR 3 H THR 3 9.567 -1.024 1.149 17 HA THR 3 HA THR 3 7.566 -2.462 2.712 18 HB THR 3 HB THR 3 9.280 -2.449 4.674 19 HG1 THR 3 HG1 THR 3 10.962 -1.424 3.398 20 1HG2 THR 3 HG21 THR 3 8.343 -4.527 3.634 21 2HG2 THR 3 HG22 THR 3 9.741 -4.559 2.534 22 3HG2 THR 3 HG23 THR 3 9.975 -4.713 4.291 23 H GLU 4 H GLU 4 6.885 -1.124 4.536 24 HA GLU 4 HA GLU 4 7.778 1.724 4.375 25 1HB GLU 4 HB2 GLU 4 5.153 0.501 5.328 26 2HB GLU 4 HB3 GLU 4 5.640 2.181 5.611 27 1HG GLU 4 HG2 GLU 4 5.837 2.545 3.157 28 2HG GLU 4 HG3 GLU 4 5.307 0.887 2.866 29 H GLN 5 H GLN 5 8.719 2.529 6.214 30 HA GLN 5 HA GLN 5 9.012 0.929 8.664 31 1HB GLN 5 HB2 GLN 5 11.279 1.683 6.744 32 2HB GLN 5 HB3 GLN 5 11.548 1.140 8.385 33 1HG GLN 5 HG2 GLN 5 10.241 -0.572 6.227 34 2HG GLN 5 HG3 GLN 5 11.940 -0.580 6.640 35 1HE2 GLN 5 HE22 GLN 5 8.692 -1.408 7.853 36 2HE2 GLN 5 HE21 GLN 5 9.253 -2.470 9.135 37 HA PRO 6 HA PRO 6 9.860 5.154 10.274 38 1HB PRO 6 HB2 PRO 6 12.309 3.875 11.490 39 2HB PRO 6 HB3 PRO 6 11.135 4.997 12.245 40 1HG PRO 6 HG2 PRO 6 11.031 2.339 12.782 41 2HG PRO 6 HG3 PRO 6 9.517 3.256 12.489 42 1HD PRO 6 HD2 PRO 6 11.054 1.502 10.561 43 2HD PRO 6 HD3 PRO 6 9.289 1.570 10.861 44 HA PRO 7 HA PRO 7 12.766 6.775 7.305 45 1HB PRO 7 HB2 PRO 7 13.902 8.384 9.607 46 2HB PRO 7 HB3 PRO 7 13.527 8.922 7.942 47 1HG PRO 7 HG2 PRO 7 11.790 9.443 9.947 48 2HG PRO 7 HG3 PRO 7 11.173 8.849 8.369 49 1HD PRO 7 HD2 PRO 7 11.610 7.289 10.925 50 2HD PRO 7 HD3 PRO 7 10.251 7.214 9.762 51 H ASN 8 H ASN 8 14.778 6.265 6.489 52 HA ASN 8 HA ASN 8 16.988 5.464 8.222 53 1HB ASN 8 HB2 ASN 8 17.216 3.270 7.492 54 2HB ASN 8 HB3 ASN 8 15.462 3.350 7.529 55 1HD2 ASN 8 HD22 ASN 8 18.093 2.465 5.584 56 2HD2 ASN 8 HD21 ASN 8 17.279 2.675 4.026 57 H GLN 9 H GLN 9 19.024 5.531 6.938 58 HA GLN 9 HA GLN 9 18.892 7.737 5.108 59 1HB GLN 9 HB2 GLN 9 21.220 7.912 5.349 60 2HB GLN 9 HB3 GLN 9 20.539 7.541 6.921 61 1HG GLN 9 HG2 GLN 9 21.231 5.147 6.641 62 2HG GLN 9 HG3 GLN 9 21.962 5.560 5.083 63 1HE2 GLN 9 HE22 GLN 9 23.551 7.569 5.224 64 2HE2 GLN 9 HE21 GLN 9 24.635 7.543 6.599 65 H ILE 10 H ILE 10 18.049 4.859 4.053 66 HA ILE 10 HA ILE 10 19.418 5.156 1.459 67 HB ILE 10 HB ILE 10 19.156 2.439 2.815 68 1HG1 ILE 10 HG12 ILE 10 21.699 4.076 2.515 69 2HG1 ILE 10 HG13 ILE 10 20.882 3.674 4.030 70 1HG2 ILE 10 HG21 ILE 10 19.056 2.515 0.295 71 2HG2 ILE 10 HG22 ILE 10 20.673 3.243 0.293 72 3HG2 ILE 10 HG23 ILE 10 20.416 1.594 0.906 73 1HD1 ILE 10 HD11 ILE 10 22.749 2.214 3.821 74 2HD1 ILE 10 HD12 ILE 10 21.279 1.246 3.584 75 3HD1 ILE 10 HD13 ILE 10 22.286 1.715 2.190 76 H LEU 11 H LEU 11 17.813 4.991 -0.137 77 HA LEU 11 HA LEU 11 15.132 3.985 0.767 78 1HB LEU 11 HB2 LEU 11 15.746 5.827 -1.567 79 2HB LEU 11 HB3 LEU 11 14.180 5.252 -1.039 80 HG LEU 11 HG LEU 11 14.153 7.369 -0.297 81 1HD1 LEU 11 HD11 LEU 11 15.237 6.022 2.186 82 2HD1 LEU 11 HD12 LEU 11 14.207 7.466 2.096 83 3HD1 LEU 11 HD13 LEU 11 13.573 5.906 1.561 84 1HD2 LEU 11 HD21 LEU 11 15.911 8.703 0.577 85 2HD2 LEU 11 HD22 LEU 11 16.987 7.295 0.781 86 3HD2 LEU 11 HD23 LEU 11 16.543 7.876 -0.839 87 H PHE 12 H PHE 12 13.981 2.714 -0.717 88 HA PHE 12 HA PHE 12 15.526 1.404 -2.910 89 1HB PHE 12 HB2 PHE 12 15.020 -0.277 -1.205 90 2HB PHE 12 HB3 PHE 12 13.351 0.283 -1.091 91 HD1 PHE 12 HD1 PHE 12 15.768 -0.937 -3.732 92 HD2 PHE 12 HD2 PHE 12 11.693 -0.824 -2.362 93 HE1 PHE 12 HE1 PHE 12 15.134 -2.529 -5.517 94 HE2 PHE 12 HE2 PHE 12 11.057 -2.444 -4.135 95 HZ PHE 12 HZ PHE 12 12.775 -3.301 -5.718 96 H LEU 13 H LEU 13 14.487 1.546 -4.877 97 HA LEU 13 HA LEU 13 11.982 3.158 -4.962 98 1HB LEU 13 HB2 LEU 13 14.596 3.516 -6.486 99 2HB LEU 13 HB3 LEU 13 13.048 4.102 -7.071 100 HG LEU 13 HG LEU 13 12.765 5.494 -5.042 101 1HD1 LEU 13 HD11 LEU 13 14.974 6.085 -3.849 102 2HD1 LEU 13 HD12 LEU 13 14.159 4.603 -3.368 103 3HD1 LEU 13 HD13 LEU 13 15.575 4.514 -4.435 104 1HD2 LEU 13 HD21 LEU 13 13.590 6.404 -7.167 105 2HD2 LEU 13 HD22 LEU 13 14.361 7.210 -5.808 106 3HD2 LEU 13 HD23 LEU 13 15.258 5.976 -6.716 107 H THR 14 H THR 14 10.738 2.863 -6.800 108 HA THR 14 HA THR 14 11.294 0.612 -8.628 109 HB THR 14 HB THR 14 8.962 -0.283 -8.130 110 HG1 THR 14 HG1 THR 14 9.323 1.204 -5.736 111 1HG2 THR 14 HG21 THR 14 10.870 -0.496 -5.776 112 2HG2 THR 14 HG22 THR 14 9.587 -1.635 -6.237 113 3HG2 THR 14 HG23 THR 14 11.011 -1.437 -7.269 114 H ASN 15 H ASN 15 9.375 0.468 -10.232 115 HA ASN 15 HA ASN 15 8.357 1.329 -11.988 116 1HB ASN 15 HB2 ASN 15 6.648 1.795 -10.208 117 2HB ASN 15 HB3 ASN 15 7.253 3.454 -10.132 118 1HD2 ASN 15 HD22 ASN 15 5.789 4.766 -11.202 119 2HD2 ASN 15 HD21 ASN 15 4.912 4.308 -12.662 120 H LEU 16 H LEU 16 11.041 2.195 -11.580 121 HA LEU 16 HA LEU 16 11.300 4.958 -12.516 122 1HB LEU 16 HB2 LEU 16 13.351 2.733 -12.623 123 2HB LEU 16 HB3 LEU 16 13.653 4.451 -12.663 124 HG LEU 16 HG LEU 16 12.635 2.895 -10.245 125 1HD1 LEU 16 HD11 LEU 16 15.364 4.075 -10.841 126 2HD1 LEU 16 HD12 LEU 16 14.838 3.289 -9.330 127 3HD1 LEU 16 HD13 LEU 16 14.944 2.360 -10.838 128 1HD2 LEU 16 HD21 LEU 16 13.538 5.795 -10.516 129 2HD2 LEU 16 HD22 LEU 16 11.853 5.260 -10.249 130 3HD2 LEU 16 HD23 LEU 16 13.081 4.993 -9.016 131 HA PRO 17 HA PRO 17 11.076 4.145 -16.972 132 1HB PRO 17 HB2 PRO 17 13.858 5.242 -17.157 133 2HB PRO 17 HB3 PRO 17 12.416 5.627 -18.137 134 1HG PRO 17 HG2 PRO 17 13.328 7.250 -16.131 135 2HG PRO 17 HG3 PRO 17 11.583 7.084 -16.488 136 1HD PRO 17 HD2 PRO 17 13.114 5.978 -14.196 137 2HD PRO 17 HD3 PRO 17 11.392 6.384 -14.326 138 H GLU 18 H GLU 18 11.783 2.424 -18.358 139 HA GLU 18 HA GLU 18 13.488 0.371 -17.252 140 1HB GLU 18 HB2 GLU 18 12.298 0.751 -20.037 141 2HB GLU 18 HB3 GLU 18 13.132 -0.710 -19.487 142 1HG GLU 18 HG2 GLU 18 11.456 -0.978 -17.662 143 2HG GLU 18 HG3 GLU 18 10.571 0.419 -18.282 144 H GLU 19 H GLU 19 14.406 3.283 -18.393 145 HA GLU 19 HA GLU 19 16.911 2.337 -19.539 146 1HB GLU 19 HB2 GLU 19 15.378 4.860 -20.298 147 2HB GLU 19 HB3 GLU 19 16.849 4.246 -21.067 148 1HG GLU 19 HG2 GLU 19 15.533 2.184 -21.746 149 2HG GLU 19 HG3 GLU 19 14.074 2.982 -21.137 150 H THR 20 H THR 20 15.881 3.366 -16.724 151 HA THR 20 HA THR 20 17.163 5.853 -16.171 152 HB THR 20 HB THR 20 16.630 3.553 -14.240 153 HG1 THR 20 HG1 THR 20 14.704 3.861 -15.126 154 1HG2 THR 20 HG21 THR 20 17.817 5.437 -13.175 155 2HG2 THR 20 HG22 THR 20 16.661 6.593 -13.885 156 3HG2 THR 20 HG23 THR 20 16.124 5.431 -12.659 157 H ASN 21 H ASN 21 19.155 6.269 -15.134 158 HA ASN 21 HA ASN 21 21.021 4.071 -14.733 159 1HB ASN 21 HB2 ASN 21 22.824 4.978 -15.874 160 2HB ASN 21 HB3 ASN 21 21.513 5.098 -17.030 161 1HD2 ASN 21 HD22 ASN 21 23.939 6.608 -17.188 162 2HD2 ASN 21 HD21 ASN 21 23.525 8.289 -16.993 163 H GLU 22 H GLU 22 22.975 5.075 -13.436 164 HA GLU 22 HA GLU 22 21.893 6.120 -11.044 165 1HB GLU 22 HB2 GLU 22 24.776 6.180 -12.031 166 2HB GLU 22 HB3 GLU 22 24.253 6.425 -10.352 167 1HG GLU 22 HG2 GLU 22 23.273 4.151 -10.329 168 2HG GLU 22 HG3 GLU 22 23.814 3.906 -11.995 169 H MET 23 H MET 23 23.405 7.740 -13.776 170 HA MET 23 HA MET 23 23.824 10.242 -12.548 171 1HB MET 23 HB2 MET 23 24.809 9.481 -14.731 172 2HB MET 23 HB3 MET 23 23.242 9.802 -15.498 173 1HG MET 23 HG2 MET 23 23.394 12.174 -14.819 174 2HG MET 23 HG3 MET 23 24.939 11.850 -14.024 175 1HE MET 23 HE1 MET 23 25.923 14.094 -17.085 176 2HE MET 23 HE2 MET 23 24.434 14.194 -16.122 177 3HE MET 23 HE3 MET 23 25.993 13.897 -15.321 178 H MET 24 H MET 24 20.908 9.051 -14.251 179 HA MET 24 HA MET 24 19.488 11.511 -14.304 180 1HB MET 24 HB2 MET 24 18.519 8.621 -14.127 181 2HB MET 24 HB3 MET 24 17.406 9.987 -14.198 182 1HG MET 24 HG2 MET 24 19.520 9.395 -16.285 183 2HG MET 24 HG3 MET 24 17.824 8.911 -16.379 184 1HE MET 24 HE1 MET 24 19.391 10.501 -18.659 185 2HE MET 24 HE2 MET 24 17.689 9.999 -18.788 186 3HE MET 24 HE3 MET 24 18.149 11.678 -19.144 187 H LEU 25 H LEU 25 19.348 8.898 -11.867 188 HA LEU 25 HA LEU 25 17.608 10.475 -10.165 189 1HB LEU 25 HB2 LEU 25 19.276 8.038 -9.490 190 2HB LEU 25 HB3 LEU 25 18.045 8.747 -8.453 191 HG LEU 25 HG LEU 25 17.667 7.309 -11.104 192 1HD1 LEU 25 HD11 LEU 25 16.704 6.813 -8.255 193 2HD1 LEU 25 HD12 LEU 25 16.233 5.842 -9.666 194 3HD1 LEU 25 HD13 LEU 25 17.922 5.877 -9.144 195 1HD2 LEU 25 HD21 LEU 25 15.650 8.958 -9.531 196 2HD2 LEU 25 HD22 LEU 25 16.114 9.130 -11.244 197 3HD2 LEU 25 HD23 LEU 25 15.190 7.721 -10.732 198 H SER 26 H SER 26 21.156 10.115 -10.433 199 HA SER 26 HA SER 26 21.761 11.359 -7.925 200 1HB SER 26 HB2 SER 26 23.355 11.429 -10.526 201 2HB SER 26 HB3 SER 26 23.957 11.855 -8.916 202 HG SER 26 HG SER 26 23.041 9.329 -9.833 203 H MET 27 H MET 27 21.216 12.692 -11.230 204 HA MET 27 HA MET 27 21.572 15.408 -10.545 205 1HB MET 27 HB2 MET 27 21.523 14.457 -12.844 206 2HB MET 27 HB3 MET 27 19.805 14.113 -12.670 207 1HG MET 27 HG2 MET 27 20.149 16.121 -13.953 208 2HG MET 27 HG3 MET 27 19.281 16.451 -12.459 209 1HE MET 27 HE1 MET 27 23.700 17.670 -13.275 210 2HE MET 27 HE2 MET 27 23.256 15.991 -12.910 211 3HE MET 27 HE3 MET 27 22.673 16.762 -14.405 212 H LEU 28 H LEU 28 18.634 13.288 -10.409 213 HA LEU 28 HA LEU 28 16.923 15.447 -9.581 214 1HB LEU 28 HB2 LEU 28 16.624 12.442 -9.240 215 2HB LEU 28 HB3 LEU 28 15.379 13.609 -8.809 216 HG LEU 28 HG LEU 28 16.488 13.217 -11.617 217 1HD1 LEU 28 HD11 LEU 28 13.791 12.440 -10.444 218 2HD1 LEU 28 HD12 LEU 28 14.335 12.184 -12.117 219 3HD1 LEU 28 HD13 LEU 28 15.123 11.315 -10.794 220 1HD2 LEU 28 HD21 LEU 28 14.212 14.978 -10.613 221 2HD2 LEU 28 HD22 LEU 28 15.724 15.523 -11.378 222 3HD2 LEU 28 HD23 LEU 28 14.548 14.618 -12.322 223 H PHE 29 H PHE 29 18.507 12.899 -7.591 224 HA PHE 29 HA PHE 29 17.312 14.056 -5.202 225 1HB PHE 29 HB2 PHE 29 19.177 11.710 -5.712 226 2HB PHE 29 HB3 PHE 29 18.773 12.272 -4.097 227 HD1 PHE 29 HD1 PHE 29 16.856 11.651 -2.965 228 HD2 PHE 29 HD2 PHE 29 17.147 10.897 -7.195 229 HE1 PHE 29 HE1 PHE 29 14.793 10.281 -2.861 230 HE2 PHE 29 HE2 PHE 29 15.113 9.504 -7.082 231 HZ PHE 29 HZ PHE 29 13.913 9.219 -4.927 232 H ASN 30 H ASN 30 20.564 14.367 -6.714 233 HA ASN 30 HA ASN 30 21.897 15.143 -4.346 234 1HB ASN 30 HB2 ASN 30 23.075 14.469 -6.346 235 2HB ASN 30 HB3 ASN 30 22.514 15.918 -7.200 236 1HD2 ASN 30 HD22 ASN 30 24.181 17.414 -7.359 237 2HD2 ASN 30 HD21 ASN 30 25.368 17.710 -6.119 238 H GLN 31 H GLN 31 19.442 16.840 -6.019 239 HA GLN 31 HA GLN 31 20.086 19.545 -5.499 240 1HB GLN 31 HB2 GLN 31 17.399 18.101 -5.520 241 2HB GLN 31 HB3 GLN 31 17.602 19.857 -5.501 242 1HG GLN 31 HG2 GLN 31 18.822 19.751 -7.665 243 2HG GLN 31 HG3 GLN 31 18.579 18.001 -7.716 244 1HE2 GLN 31 HE22 GLN 31 16.267 17.215 -7.669 245 2HE2 GLN 31 HE21 GLN 31 15.044 18.200 -8.463 246 H PHE 32 H PHE 32 19.041 16.912 -3.327 247 HA PHE 32 HA PHE 32 18.416 18.783 -1.153 248 1HB PHE 32 HB2 PHE 32 18.575 15.759 -1.080 249 2HB PHE 32 HB3 PHE 32 17.795 16.810 0.095 250 HD1 PHE 32 HD1 PHE 32 17.202 14.661 -2.616 251 HD2 PHE 32 HD2 PHE 32 15.920 18.479 -1.082 252 HE1 PHE 32 HE1 PHE 32 15.193 14.542 -4.031 253 HE2 PHE 32 HE2 PHE 32 13.900 18.362 -2.524 254 HZ PHE 32 HZ PHE 32 13.565 16.406 -4.039 255 HA PRO 33 HA PRO 33 22.713 18.738 -0.038 256 1HB PRO 33 HB2 PRO 33 22.696 20.130 2.316 257 2HB PRO 33 HB3 PRO 33 22.210 20.848 0.760 258 1HG PRO 33 HG2 PRO 33 20.397 19.650 2.878 259 2HG PRO 33 HG3 PRO 33 20.272 21.260 2.101 260 1HD PRO 33 HD2 PRO 33 18.851 19.110 1.203 261 2HD PRO 33 HD3 PRO 33 19.510 20.338 0.079 262 H GLY 34 H GLY 34 21.406 16.222 0.503 263 1HA GLY 34 HA2 GLY 34 23.103 15.219 2.726 264 2HA GLY 34 HA3 GLY 34 21.366 14.854 2.722 265 H PHE 35 H PHE 35 21.977 14.842 -0.533 266 HA PHE 35 HA PHE 35 21.847 12.072 -0.865 267 1HB PHE 35 HB2 PHE 35 21.180 13.705 -2.525 268 2HB PHE 35 HB3 PHE 35 22.790 14.422 -2.537 269 HD1 PHE 35 HD1 PHE 35 24.651 13.412 -3.760 270 HD2 PHE 35 HD2 PHE 35 20.740 11.599 -3.740 271 HE1 PHE 35 HE1 PHE 35 25.288 11.994 -5.700 272 HE2 PHE 35 HE2 PHE 35 21.359 10.234 -5.695 273 HZ PHE 35 HZ PHE 35 23.639 10.419 -6.666 274 H LYS 36 H LYS 36 23.364 10.593 -1.505 275 HA LYS 36 HA LYS 36 26.238 11.360 -1.505 276 1HB LYS 36 HB2 LYS 36 25.212 8.848 -0.131 277 2HB LYS 36 HB3 LYS 36 26.898 9.304 -0.393 278 1HG LYS 36 HG2 LYS 36 26.363 11.448 0.952 279 2HG LYS 36 HG3 LYS 36 24.877 10.631 1.437 280 1HD LYS 36 HD2 LYS 36 27.752 9.817 1.985 281 2HD LYS 36 HD3 LYS 36 26.535 10.332 3.159 282 1HE LYS 36 HE2 LYS 36 25.240 8.259 2.752 283 2HE LYS 36 HE3 LYS 36 26.398 7.760 1.514 284 1HZ LYS 36 HZ1 LYS 36 27.055 8.100 4.384 285 2HZ LYS 36 HZ2 LYS 36 26.858 6.676 3.610 286 3HZ LYS 36 HZ3 LYS 36 28.105 7.642 3.221 287 H GLU 37 H GLU 37 23.876 8.673 -2.401 288 HA GLU 37 HA GLU 37 25.373 8.412 -4.930 289 1HB GLU 37 HB2 GLU 37 26.717 7.226 -3.127 290 2HB GLU 37 HB3 GLU 37 25.380 6.101 -2.926 291 1HG GLU 37 HG2 GLU 37 25.715 5.166 -5.085 292 2HG GLU 37 HG3 GLU 37 26.662 6.549 -5.643 293 H VAL 38 H VAL 38 24.519 6.616 -6.310 294 HA VAL 38 HA VAL 38 21.769 5.690 -5.722 295 HB VAL 38 HB VAL 38 22.775 6.770 -8.399 296 1HG1 VAL 38 HG11 VAL 38 21.216 4.864 -8.689 297 2HG1 VAL 38 HG12 VAL 38 20.020 5.676 -7.658 298 3HG1 VAL 38 HG13 VAL 38 20.508 6.357 -9.229 299 1HG2 VAL 38 HG21 VAL 38 21.035 8.494 -8.164 300 2HG2 VAL 38 HG22 VAL 38 20.673 7.918 -6.520 301 3HG2 VAL 38 HG23 VAL 38 22.262 8.613 -6.922 302 H ARG 39 H ARG 39 21.443 3.579 -6.454 303 HA ARG 39 HA ARG 39 23.627 2.172 -7.905 304 1HB ARG 39 HB2 ARG 39 22.314 1.204 -5.321 305 2HB ARG 39 HB3 ARG 39 23.470 0.298 -6.307 306 1HG ARG 39 HG2 ARG 39 25.205 2.024 -5.864 307 2HG ARG 39 HG3 ARG 39 24.041 2.953 -4.906 308 1HD ARG 39 HD2 ARG 39 23.836 1.023 -3.336 309 2HD ARG 39 HD3 ARG 39 25.185 0.248 -4.191 310 HE ARG 39 HE ARG 39 26.451 2.436 -3.725 311 1HH1 ARG 39 HH21 ARG 39 23.998 1.305 -1.364 312 2HH1 ARG 39 HH22 ARG 39 24.596 2.387 -0.127 313 1HH2 ARG 39 HH11 ARG 39 27.159 3.696 -2.176 314 2HH2 ARG 39 HH12 ARG 39 26.443 3.776 -0.567 315 H LEU 40 H LEU 40 22.417 1.979 -9.780 316 HA LEU 40 HA LEU 40 19.597 1.199 -9.806 317 1HB LEU 40 HB2 LEU 40 21.762 1.703 -11.870 318 2HB LEU 40 HB3 LEU 40 20.446 0.652 -12.336 319 HG LEU 40 HG LEU 40 20.167 3.000 -13.032 320 1HD1 LEU 40 HD11 LEU 40 18.247 1.671 -13.081 321 2HD1 LEU 40 HD12 LEU 40 18.038 1.700 -11.325 322 3HD1 LEU 40 HD13 LEU 40 17.746 3.158 -12.273 323 1HD2 LEU 40 HD21 LEU 40 19.475 4.728 -11.496 324 2HD2 LEU 40 HD22 LEU 40 19.564 3.617 -10.118 325 3HD2 LEU 40 HD23 LEU 40 21.042 4.090 -10.985 326 H VAL 41 H VAL 41 19.042 -0.802 -11.031 327 HA VAL 41 HA VAL 41 20.863 -3.082 -10.400 328 HB VAL 41 HB VAL 41 17.846 -3.063 -10.718 329 1HG1 VAL 41 HG11 VAL 41 19.776 -5.342 -10.080 330 2HG1 VAL 41 HG12 VAL 41 18.003 -5.441 -10.016 331 3HG1 VAL 41 HG13 VAL 41 18.805 -5.168 -11.561 332 1HG2 VAL 41 HG21 VAL 41 19.648 -3.435 -8.282 333 2HG2 VAL 41 HG22 VAL 41 18.488 -2.117 -8.560 334 3HG2 VAL 41 HG23 VAL 41 17.906 -3.763 -8.303 335 HA PRO 42 HA PRO 42 21.114 -2.155 -14.808 336 1HB PRO 42 HB2 PRO 42 23.555 -3.320 -15.424 337 2HB PRO 42 HB3 PRO 42 23.366 -1.797 -14.513 338 1HG PRO 42 HG2 PRO 42 23.679 -4.599 -13.385 339 2HG PRO 42 HG3 PRO 42 24.626 -3.129 -12.972 340 1HD PRO 42 HD2 PRO 42 22.532 -3.890 -11.447 341 2HD PRO 42 HD3 PRO 42 22.771 -2.153 -11.834 342 H ASN 43 H ASN 43 19.678 -4.450 -13.856 343 HA ASN 43 HA ASN 43 19.314 -5.751 -16.410 344 1HB ASN 43 HB2 ASN 43 19.049 -7.989 -15.575 345 2HB ASN 43 HB3 ASN 43 20.631 -7.411 -15.083 346 1HD2 ASN 43 HD22 ASN 43 21.080 -7.241 -12.819 347 2HD2 ASN 43 HD21 ASN 43 19.928 -7.714 -11.598 348 H ARG 44 H ARG 44 17.979 -4.135 -13.704 349 HA ARG 44 HA ARG 44 15.334 -4.254 -14.864 350 1HB ARG 44 HB2 ARG 44 16.011 -5.231 -12.057 351 2HB ARG 44 HB3 ARG 44 14.565 -4.277 -12.330 352 1HG ARG 44 HG2 ARG 44 13.930 -5.962 -14.176 353 2HG ARG 44 HG3 ARG 44 15.200 -6.994 -13.489 354 1HD ARG 44 HD2 ARG 44 13.077 -7.587 -12.480 355 2HD ARG 44 HD3 ARG 44 14.078 -6.779 -11.250 356 HE ARG 44 HE ARG 44 12.576 -4.748 -12.444 357 1HH1 ARG 44 HH21 ARG 44 11.876 -7.693 -10.562 358 2HH1 ARG 44 HH22 ARG 44 10.424 -7.075 -9.869 359 1HH2 ARG 44 HH11 ARG 44 10.642 -3.935 -11.556 360 2HH2 ARG 44 HH12 ARG 44 9.701 -4.889 -10.448 361 H HIS 45 H HIS 45 16.613 -2.213 -15.527 362 HA HIS 45 HA HIS 45 17.414 -0.304 -13.680 363 1HB HIS 45 HB2 HIS 45 15.978 0.335 -16.289 364 2HB HIS 45 HB3 HIS 45 17.163 1.332 -15.462 365 HD1 HIS 45 HD1 HIS 45 17.098 -0.415 -18.473 366 HD2 HIS 45 HD2 HIS 45 19.621 -0.535 -15.104 367 HE1 HIS 45 HE1 HIS 45 19.303 -1.450 -19.259 368 H ASP 46 H ASP 46 14.217 -1.498 -13.962 369 HA ASP 46 HA ASP 46 12.760 0.978 -13.620 370 1HB ASP 46 HB2 ASP 46 10.818 -0.283 -13.656 371 2HB ASP 46 HB3 ASP 46 11.869 -1.063 -14.834 372 H ILE 47 H ILE 47 14.687 -0.969 -11.555 373 HA ILE 47 HA ILE 47 13.450 0.328 -9.207 374 HB ILE 47 HB ILE 47 13.757 -1.589 -7.865 375 1HG1 ILE 47 HG12 ILE 47 15.606 -2.481 -10.032 376 2HG1 ILE 47 HG13 ILE 47 15.803 -2.485 -8.287 377 1HG2 ILE 47 HG21 ILE 47 12.247 -3.200 -8.769 378 2HG2 ILE 47 HG22 ILE 47 11.763 -1.633 -9.431 379 3HG2 ILE 47 HG23 ILE 47 12.665 -2.771 -10.439 380 1HD1 ILE 47 HD11 ILE 47 14.256 -4.417 -10.014 381 2HD1 ILE 47 HD12 ILE 47 15.769 -4.723 -9.146 382 3HD1 ILE 47 HD13 ILE 47 14.273 -4.467 -8.211 383 H ALA 48 H ALA 48 15.056 0.610 -7.418 384 HA ALA 48 HA ALA 48 17.897 0.482 -8.008 385 1HB ALA 48 HB1 ALA 48 17.206 2.509 -9.393 386 2HB ALA 48 HB2 ALA 48 16.623 3.263 -7.895 387 3HB ALA 48 HB3 ALA 48 18.342 2.896 -8.101 388 H PHE 49 H PHE 49 19.109 1.863 -6.330 389 HA PHE 49 HA PHE 49 17.592 2.282 -3.842 390 1HB PHE 49 HB2 PHE 49 20.345 1.004 -4.082 391 2HB PHE 49 HB3 PHE 49 19.654 1.598 -2.583 392 HD1 PHE 49 HD1 PHE 49 19.257 -0.977 -5.262 393 HD2 PHE 49 HD2 PHE 49 18.095 0.286 -1.296 394 HE1 PHE 49 HE1 PHE 49 18.219 -3.197 -4.860 395 HE2 PHE 49 HE2 PHE 49 17.130 -1.962 -0.875 396 HZ PHE 49 HZ PHE 49 17.193 -3.706 -2.647 397 H VAL 50 H VAL 50 18.395 4.100 -2.657 398 HA VAL 50 HA VAL 50 20.450 5.808 -3.971 399 HB VAL 50 HB VAL 50 17.689 6.712 -3.018 400 1HG1 VAL 50 HG11 VAL 50 19.389 8.444 -2.629 401 2HG1 VAL 50 HG12 VAL 50 19.957 8.300 -4.302 402 3HG1 VAL 50 HG13 VAL 50 18.325 8.916 -3.959 403 1HG2 VAL 50 HG21 VAL 50 17.492 5.569 -5.177 404 2HG2 VAL 50 HG22 VAL 50 17.250 7.306 -5.376 405 3HG2 VAL 50 HG23 VAL 50 18.795 6.565 -5.850 406 H GLU 51 H GLU 51 21.683 6.976 -2.393 407 HA GLU 51 HA GLU 51 21.184 6.171 0.440 408 1HB GLU 51 HB2 GLU 51 22.792 4.652 -0.534 409 2HB GLU 51 HB3 GLU 51 23.754 5.991 -1.178 410 1HG GLU 51 HG2 GLU 51 24.367 6.737 1.025 411 2HG GLU 51 HG3 GLU 51 23.220 5.642 1.800 412 H PHE 52 H PHE 52 21.692 7.597 1.952 413 HA PHE 52 HA PHE 52 22.433 10.369 1.192 414 1HB PHE 52 HB2 PHE 52 19.950 9.195 2.402 415 2HB PHE 52 HB3 PHE 52 20.530 10.662 3.139 416 HD1 PHE 52 HD1 PHE 52 19.801 12.699 2.333 417 HD2 PHE 52 HD2 PHE 52 19.811 9.302 -0.317 418 HE1 PHE 52 HE1 PHE 52 18.812 14.095 0.543 419 HE2 PHE 52 HE2 PHE 52 18.878 10.712 -2.122 420 HZ PHE 52 HZ PHE 52 18.412 13.117 -1.710 421 H THR 53 H THR 53 22.856 11.669 3.098 422 HA THR 53 HA THR 53 24.832 10.542 4.849 423 HB THR 53 HB THR 53 23.389 13.232 4.720 424 HG1 THR 53 HG1 THR 53 24.573 12.840 2.898 425 1HG2 THR 53 HG21 THR 53 25.864 12.448 6.304 426 2HG2 THR 53 HG22 THR 53 25.342 14.126 5.992 427 3HG2 THR 53 HG23 THR 53 24.309 13.039 6.933 428 H THR 54 H THR 54 21.475 11.782 5.366 429 HA THR 54 HA THR 54 21.432 10.452 8.010 430 HB THR 54 HB THR 54 20.104 12.788 8.476 431 HG1 THR 54 HG1 THR 54 21.405 14.461 7.687 432 1HG2 THR 54 HG21 THR 54 23.095 12.341 8.766 433 2HG2 THR 54 HG22 THR 54 22.132 13.557 9.640 434 3HG2 THR 54 HG23 THR 54 21.828 11.833 9.902 435 H GLU 55 H GLU 55 19.576 9.844 8.736 436 HA GLU 55 HA GLU 55 17.675 8.807 6.964 437 1HB GLU 55 HB2 GLU 55 17.140 9.330 9.914 438 2HB GLU 55 HB3 GLU 55 16.437 8.104 8.867 439 1HG GLU 55 HG2 GLU 55 17.900 6.794 9.984 440 2HG GLU 55 HG3 GLU 55 18.938 7.250 8.644 441 H LEU 56 H LEU 56 17.640 11.868 8.746 442 HA LEU 56 HA LEU 56 14.882 12.547 8.233 443 1HB LEU 56 HB2 LEU 56 17.356 14.067 9.114 444 2HB LEU 56 HB3 LEU 56 15.927 14.948 8.584 445 HG LEU 56 HG LEU 56 14.530 13.852 10.275 446 1HD1 LEU 56 HD11 LEU 56 15.666 11.717 10.631 447 2HD1 LEU 56 HD12 LEU 56 17.115 12.551 11.246 448 3HD1 LEU 56 HD13 LEU 56 15.589 12.600 12.153 449 1HD2 LEU 56 HD21 LEU 56 15.638 16.003 10.754 450 2HD2 LEU 56 HD22 LEU 56 15.467 15.032 12.223 451 3HD2 LEU 56 HD23 LEU 56 17.047 15.145 11.412 452 H GLN 57 H GLN 57 17.930 12.953 6.394 453 HA GLN 57 HA GLN 57 16.644 14.838 4.549 454 1HB GLN 57 HB2 GLN 57 19.418 13.582 4.502 455 2HB GLN 57 HB3 GLN 57 18.803 14.817 3.385 456 1HG GLN 57 HG2 GLN 57 18.274 16.215 5.515 457 2HG GLN 57 HG3 GLN 57 19.325 15.081 6.366 458 1HE2 GLN 57 HE22 GLN 57 21.634 14.979 5.675 459 2HE2 GLN 57 HE21 GLN 57 22.332 16.343 4.798 460 H SER 58 H SER 58 17.548 11.321 4.544 461 HA SER 58 HA SER 58 16.711 10.867 1.833 462 1HB SER 58 HB2 SER 58 16.209 8.523 2.822 463 2HB SER 58 HB3 SER 58 17.884 9.084 2.826 464 HG SER 58 HG SER 58 16.740 8.172 4.835 465 H ASN 59 H ASN 59 14.967 10.839 5.000 466 HA ASN 59 HA ASN 59 12.392 10.301 4.003 467 1HB ASN 59 HB2 ASN 59 12.641 10.268 6.341 468 2HB ASN 59 HB3 ASN 59 13.390 11.851 6.393 469 1HD2 ASN 59 HD22 ASN 59 12.108 13.621 6.820 470 2HD2 ASN 59 HD21 ASN 59 10.362 13.588 6.819 471 H ALA 60 H ALA 60 13.952 13.522 4.350 472 HA ALA 60 HA ALA 60 11.753 14.965 3.298 473 1HB ALA 60 HB1 ALA 60 13.647 16.028 4.475 474 2HB ALA 60 HB2 ALA 60 14.716 15.656 3.097 475 3HB ALA 60 HB3 ALA 60 13.353 16.777 2.894 476 H ALA 61 H ALA 61 14.531 13.510 1.588 477 HA ALA 61 HA ALA 61 13.785 14.423 -1.012 478 1HB ALA 61 HB1 ALA 61 16.041 13.566 -0.418 479 2HB ALA 61 HB2 ALA 61 15.367 11.926 -0.256 480 3HB ALA 61 HB3 ALA 61 15.328 12.755 -1.827 481 H LYS 62 H LYS 62 12.979 11.422 0.779 482 HA LYS 62 HA LYS 62 11.472 10.120 -1.236 483 1HB LYS 62 HB2 LYS 62 12.235 8.967 0.711 484 2HB LYS 62 HB3 LYS 62 11.426 10.058 1.805 485 1HG LYS 62 HG2 LYS 62 9.960 8.121 -0.023 486 2HG LYS 62 HG3 LYS 62 10.453 7.789 1.638 487 1HD LYS 62 HD2 LYS 62 9.106 9.946 2.260 488 2HD LYS 62 HD3 LYS 62 8.352 9.732 0.669 489 1HE LYS 62 HE2 LYS 62 7.838 7.318 1.420 490 2HE LYS 62 HE3 LYS 62 8.313 7.845 3.043 491 1HZ LYS 62 HZ1 LYS 62 5.972 8.153 2.852 492 2HZ LYS 62 HZ2 LYS 62 6.608 9.674 2.733 493 3HZ LYS 62 HZ3 LYS 62 6.095 8.901 1.392 494 H GLU 63 H GLU 63 10.371 12.390 1.367 495 HA GLU 63 HA GLU 63 7.667 12.453 0.543 496 1HB GLU 63 HB2 GLU 63 9.402 14.542 1.928 497 2HB GLU 63 HB3 GLU 63 7.665 14.719 1.725 498 1HG GLU 63 HG2 GLU 63 8.960 12.394 3.210 499 2HG GLU 63 HG3 GLU 63 8.411 13.876 3.975 500 H ALA 64 H ALA 64 10.453 14.361 -0.557 501 HA ALA 64 HA ALA 64 8.976 16.222 -2.126 502 1HB ALA 64 HB1 ALA 64 11.878 15.332 -2.330 503 2HB ALA 64 HB2 ALA 64 11.190 16.817 -3.020 504 3HB ALA 64 HB3 ALA 64 11.259 16.610 -1.255 505 H LEU 65 H LEU 65 10.539 13.090 -3.016 506 HA LEU 65 HA LEU 65 9.702 13.569 -5.844 507 1HB LEU 65 HB2 LEU 65 11.995 11.960 -4.682 508 2HB LEU 65 HB3 LEU 65 11.543 11.953 -6.383 509 HG LEU 65 HG LEU 65 12.530 14.372 -4.834 510 1HD1 LEU 65 HD11 LEU 65 13.820 12.676 -7.018 511 2HD1 LEU 65 HD12 LEU 65 14.518 14.144 -6.301 512 3HD1 LEU 65 HD13 LEU 65 14.270 12.699 -5.307 513 1HD2 LEU 65 HD21 LEU 65 10.997 15.145 -6.591 514 2HD2 LEU 65 HD22 LEU 65 12.658 15.474 -7.074 515 3HD2 LEU 65 HD23 LEU 65 11.795 14.095 -7.785 516 H GLN 66 H GLN 66 8.627 11.626 -3.261 517 HA GLN 66 HA GLN 66 7.964 9.286 -4.761 518 1HB GLN 66 HB2 GLN 66 6.666 10.705 -2.421 519 2HB GLN 66 HB3 GLN 66 5.733 9.495 -3.306 520 1HG GLN 66 HG2 GLN 66 7.593 7.849 -2.989 521 2HG GLN 66 HG3 GLN 66 8.381 8.995 -1.907 522 1HE2 GLN 66 HE22 GLN 66 7.188 6.236 -1.343 523 2HE2 GLN 66 HE21 GLN 66 5.927 6.500 -0.171 524 H GLY 67 H GLY 67 6.709 8.966 -6.467 525 1HA GLY 67 HA2 GLY 67 4.951 9.145 -7.922 526 2HA GLY 67 HA3 GLY 67 4.367 10.595 -7.095 527 H PHE 68 H PHE 68 7.727 10.925 -7.857 528 HA PHE 68 HA PHE 68 7.104 13.094 -9.666 529 1HB PHE 68 HB2 PHE 68 8.968 13.172 -8.058 530 2HB PHE 68 HB3 PHE 68 9.742 11.800 -8.845 531 HD1 PHE 68 HD1 PHE 68 8.912 15.405 -9.131 532 HD2 PHE 68 HD2 PHE 68 10.970 12.072 -10.944 533 HE1 PHE 68 HE1 PHE 68 10.145 16.967 -10.614 534 HE2 PHE 68 HE2 PHE 68 12.195 13.640 -12.424 535 HZ PHE 68 HZ PHE 68 11.792 16.087 -12.260 536 H LYS 69 H LYS 69 6.771 12.894 -11.837 537 HA LYS 69 HA LYS 69 7.315 10.447 -13.317 538 1HB LYS 69 HB2 LYS 69 6.284 13.179 -14.010 539 2HB LYS 69 HB3 LYS 69 7.224 12.372 -15.264 540 1HG LYS 69 HG2 LYS 69 4.984 11.807 -15.677 541 2HG LYS 69 HG3 LYS 69 5.814 10.369 -15.103 542 1HD LYS 69 HD2 LYS 69 4.861 10.837 -12.788 543 2HD LYS 69 HD3 LYS 69 3.850 12.084 -13.524 544 1HE LYS 69 HE2 LYS 69 3.955 9.155 -14.402 545 2HE LYS 69 HE3 LYS 69 2.784 9.791 -13.232 546 1HZ LYS 69 HZ1 LYS 69 2.033 11.330 -15.041 547 2HZ LYS 69 HZ2 LYS 69 2.953 10.461 -16.105 548 3HZ LYS 69 HZ3 LYS 69 1.724 9.755 -15.314 549 H ILE 70 H ILE 70 9.325 9.731 -13.510 550 HA ILE 70 HA ILE 70 11.638 11.544 -13.832 551 HB ILE 70 HB ILE 70 11.358 8.557 -14.244 552 1HG1 ILE 70 HG12 ILE 70 12.756 9.978 -11.941 553 2HG1 ILE 70 HG13 ILE 70 11.055 9.540 -11.847 554 1HG2 ILE 70 HG21 ILE 70 13.868 8.597 -14.194 555 2HG2 ILE 70 HG22 ILE 70 13.238 9.552 -15.540 556 3HG2 ILE 70 HG23 ILE 70 13.819 10.367 -14.078 557 1HD1 ILE 70 HD11 ILE 70 12.458 7.832 -10.805 558 2HD1 ILE 70 HD12 ILE 70 11.546 7.187 -12.173 559 3HD1 ILE 70 HD13 ILE 70 13.288 7.534 -12.334 560 H THR 71 H THR 71 9.519 9.370 -15.838 561 HA THR 71 HA THR 71 9.729 11.301 -18.031 562 HB THR 71 HB THR 71 9.659 9.395 -19.651 563 HG1 THR 71 HG1 THR 71 10.513 7.400 -18.871 564 1HG2 THR 71 HG21 THR 71 12.044 8.908 -19.665 565 2HG2 THR 71 HG22 THR 71 11.809 10.591 -19.169 566 3HG2 THR 71 HG23 THR 71 12.191 9.353 -17.952 567 HA PRO 72 HA PRO 72 5.540 11.609 -17.927 568 1HB PRO 72 HB2 PRO 72 5.182 10.206 -20.586 569 2HB PRO 72 HB3 PRO 72 4.383 11.698 -19.987 570 1HG PRO 72 HG2 PRO 72 6.530 11.910 -21.604 571 2HG PRO 72 HG3 PRO 72 6.432 12.940 -20.137 572 1HD PRO 72 HD2 PRO 72 8.003 10.404 -20.563 573 2HD PRO 72 HD3 PRO 72 8.493 11.912 -19.732 574 H THR 73 H THR 73 6.416 8.226 -18.453 575 HA THR 73 HA THR 73 3.822 7.360 -17.313 576 HB THR 73 HB THR 73 4.414 5.226 -18.664 577 HG1 THR 73 HG1 THR 73 5.876 5.516 -20.319 578 1HG2 THR 73 HG21 THR 73 2.664 6.849 -19.370 579 2HG2 THR 73 HG22 THR 73 3.892 7.789 -20.243 580 3HG2 THR 73 HG23 THR 73 3.508 6.130 -20.749 581 H HIS 74 H HIS 74 6.705 7.996 -16.115 582 HA HIS 74 HA HIS 74 6.848 5.507 -14.476 583 1HB HIS 74 HB2 HIS 74 9.174 7.007 -15.718 584 2HB HIS 74 HB3 HIS 74 9.283 5.679 -14.557 585 HD1 HIS 74 HD1 HIS 74 8.826 6.308 -18.222 586 HD2 HIS 74 HD2 HIS 74 8.320 3.197 -15.437 587 HE1 HIS 74 HE1 HIS 74 8.544 4.161 -19.586 588 H ALA 75 H ALA 75 5.437 6.837 -13.186 589 HA ALA 75 HA ALA 75 6.492 9.062 -11.647 590 1HB ALA 75 HB1 ALA 75 4.240 7.080 -11.053 591 2HB ALA 75 HB2 ALA 75 4.605 8.549 -10.128 592 3HB ALA 75 HB3 ALA 75 4.058 8.679 -11.802 593 H MET 76 H MET 76 8.389 8.671 -10.662 594 HA MET 76 HA MET 76 9.573 6.390 -9.697 595 1HB MET 76 HB2 MET 76 10.488 8.730 -9.862 596 2HB MET 76 HB3 MET 76 9.554 9.180 -8.443 597 1HG MET 76 HG2 MET 76 10.801 7.351 -7.181 598 2HG MET 76 HG3 MET 76 11.843 7.195 -8.596 599 1HE MET 76 HE1 MET 76 13.435 10.914 -8.614 600 2HE MET 76 HE2 MET 76 13.332 9.401 -9.531 601 3HE MET 76 HE3 MET 76 11.918 10.476 -9.426 602 H LYS 77 H LYS 77 9.021 4.915 -8.133 603 HA LYS 77 HA LYS 77 7.328 5.838 -5.834 604 1HB LYS 77 HB2 LYS 77 7.899 3.113 -7.022 605 2HB LYS 77 HB3 LYS 77 7.282 3.325 -5.375 606 1HG LYS 77 HG2 LYS 77 5.354 4.657 -6.416 607 2HG LYS 77 HG3 LYS 77 5.894 4.046 -7.987 608 1HD LYS 77 HD2 LYS 77 5.119 2.345 -5.569 609 2HD LYS 77 HD3 LYS 77 4.056 2.683 -6.939 610 1HE LYS 77 HE2 LYS 77 5.363 1.402 -8.448 611 2HE LYS 77 HE3 LYS 77 6.762 1.377 -7.366 612 1HZ LYS 77 HZ1 LYS 77 5.567 -0.730 -7.380 613 2HZ LYS 77 HZ2 LYS 77 5.610 -0.072 -5.887 614 3HZ LYS 77 HZ3 LYS 77 4.225 -0.019 -6.781 615 H ILE 78 H ILE 78 8.229 5.556 -3.778 616 HA ILE 78 HA ILE 78 11.087 4.818 -3.560 617 HB ILE 78 HB ILE 78 9.907 7.317 -2.294 618 1HG1 ILE 78 HG12 ILE 78 11.600 7.316 -4.825 619 2HG1 ILE 78 HG13 ILE 78 9.892 7.737 -4.727 620 1HG2 ILE 78 HG21 ILE 78 12.812 6.518 -2.679 621 2HG2 ILE 78 HG22 ILE 78 12.211 7.898 -1.747 622 3HG2 ILE 78 HG23 ILE 78 11.889 6.281 -1.179 623 1HD1 ILE 78 HD11 ILE 78 10.454 9.606 -3.187 624 2HD1 ILE 78 HD12 ILE 78 12.180 9.280 -3.464 625 3HD1 ILE 78 HD13 ILE 78 11.146 9.750 -4.811 626 H THR 79 H THR 79 11.470 3.838 -1.553 627 HA THR 79 HA THR 79 9.519 4.067 0.625 628 HB THR 79 HB THR 79 10.122 1.353 0.667 629 HG1 THR 79 HG1 THR 79 10.800 1.650 -1.616 630 1HG2 THR 79 HG21 THR 79 7.935 2.436 1.155 631 2HG2 THR 79 HG22 THR 79 7.656 2.633 -0.589 632 3HG2 THR 79 HG23 THR 79 7.767 1.011 0.134 633 H PHE 80 H PHE 80 10.508 3.426 2.674 634 HA PHE 80 HA PHE 80 13.337 4.039 2.859 635 1HB PHE 80 HB2 PHE 80 11.241 3.025 4.815 636 2HB PHE 80 HB3 PHE 80 12.898 3.349 5.281 637 HD1 PHE 80 HD1 PHE 80 13.812 5.780 4.395 638 HD2 PHE 80 HD2 PHE 80 9.695 4.773 5.213 639 HE1 PHE 80 HE1 PHE 80 13.278 8.178 4.650 640 HE2 PHE 80 HE2 PHE 80 9.168 7.176 5.488 641 HZ PHE 80 HZ PHE 80 10.938 8.883 5.191 642 H ALA 81 H ALA 81 15.013 2.659 2.682 643 HA ALA 81 HA ALA 81 14.469 -0.220 2.244 644 1HB ALA 81 HB1 ALA 81 17.192 1.128 2.288 645 2HB ALA 81 HB2 ALA 81 16.741 -0.420 1.565 646 3HB ALA 81 HB3 ALA 81 16.158 1.078 0.839 647 H LYS 82 H LYS 82 16.732 -1.347 3.421 648 HA LYS 82 HA LYS 82 16.525 -0.859 6.327 649 1HB LYS 82 HB2 LYS 82 15.836 -3.514 4.986 650 2HB LYS 82 HB3 LYS 82 16.017 -3.270 6.726 651 1HG LYS 82 HG2 LYS 82 14.148 -1.655 6.735 652 2HG LYS 82 HG3 LYS 82 13.915 -1.869 5.006 653 1HD LYS 82 HD2 LYS 82 13.484 -3.977 7.130 654 2HD LYS 82 HD3 LYS 82 12.255 -3.141 6.185 655 1HE LYS 82 HE2 LYS 82 14.294 -5.153 5.139 656 2HE LYS 82 HE3 LYS 82 12.567 -5.413 5.371 657 1HZ LYS 82 HZ1 LYS 82 12.187 -3.651 3.662 658 2HZ LYS 82 HZ2 LYS 82 13.794 -3.611 3.369 659 3HZ LYS 82 HZ3 LYS 82 12.958 -4.977 3.085 660 H LYS 83 H LYS 83 18.141 -2.383 7.452 661 HA LYS 83 HA LYS 83 20.479 -3.076 5.786 662 1HB LYS 83 HB2 LYS 83 20.542 -1.274 8.252 663 2HB LYS 83 HB3 LYS 83 21.949 -2.039 7.512 664 1HG LYS 83 HG2 LYS 83 21.528 -0.781 5.398 665 2HG LYS 83 HG3 LYS 83 20.125 -0.008 6.147 666 1HD LYS 83 HD2 LYS 83 21.954 1.538 6.230 667 2HD LYS 83 HD3 LYS 83 21.607 0.998 7.878 668 1HE LYS 83 HE2 LYS 83 23.509 -0.614 7.739 669 2HE LYS 83 HE3 LYS 83 23.838 -0.080 6.085 670 1HZ LYS 83 HZ1 LYS 83 24.025 1.630 8.501 671 2HZ LYS 83 HZ2 LYS 83 25.284 1.001 7.685 672 3HZ LYS 83 HZ3 LYS 83 24.344 2.123 6.973 Start of MODEL 13 1 1H ALA 1 H1 ALA 1 9.139 -7.658 -2.208 2 2H ALA 1 H2 ALA 1 7.936 -7.218 -1.193 3 3H ALA 1 H3 ALA 1 7.622 -8.230 -2.444 4 HA ALA 1 HA ALA 1 8.108 -6.562 -4.046 5 1HB ALA 1 HB1 ALA 1 6.216 -5.021 -3.658 6 2HB ALA 1 HB2 ALA 1 5.774 -6.711 -3.375 7 3HB ALA 1 HB3 ALA 1 6.051 -5.627 -1.995 8 H GLN 2 H GLN 2 7.601 -4.449 -1.151 9 HA GLN 2 HA GLN 2 10.315 -3.400 -1.297 10 1HB GLN 2 HB2 GLN 2 9.580 -1.083 -1.652 11 2HB GLN 2 HB3 GLN 2 9.337 -2.105 -3.064 12 1HG GLN 2 HG2 GLN 2 6.883 -2.306 -2.357 13 2HG GLN 2 HG3 GLN 2 7.208 -1.036 -1.184 14 1HE2 GLN 2 HE22 GLN 2 8.806 0.818 -2.579 15 2HE2 GLN 2 HE21 GLN 2 8.120 1.225 -4.131 16 H THR 3 H THR 3 10.886 -2.393 0.665 17 HA THR 3 HA THR 3 9.264 -3.209 2.904 18 HB THR 3 HB THR 3 11.320 -2.056 4.100 19 HG1 THR 3 HG1 THR 3 12.245 -0.879 2.506 20 1HG2 THR 3 HG21 THR 3 12.770 -3.994 3.586 21 2HG2 THR 3 HG22 THR 3 11.095 -4.489 3.884 22 3HG2 THR 3 HG23 THR 3 11.721 -4.430 2.222 23 H GLU 4 H GLU 4 8.644 -1.747 4.698 24 HA GLU 4 HA GLU 4 8.612 1.116 4.095 25 1HB GLU 4 HB2 GLU 4 6.392 0.179 3.293 26 2HB GLU 4 HB3 GLU 4 6.068 -0.337 4.956 27 1HG GLU 4 HG2 GLU 4 6.315 2.043 5.702 28 2HG GLU 4 HG3 GLU 4 6.638 2.520 4.031 29 H GLN 5 H GLN 5 9.159 2.179 5.985 30 HA GLN 5 HA GLN 5 9.219 0.797 8.584 31 1HB GLN 5 HB2 GLN 5 11.653 1.662 6.937 32 2HB GLN 5 HB3 GLN 5 11.746 1.280 8.644 33 1HG GLN 5 HG2 GLN 5 10.957 -0.731 6.494 34 2HG GLN 5 HG3 GLN 5 12.560 -0.496 7.144 35 1HE2 GLN 5 HE22 GLN 5 9.246 -1.525 8.052 36 2HE2 GLN 5 HE21 GLN 5 9.751 -2.455 9.456 37 HA PRO 6 HA PRO 6 9.615 5.200 9.979 38 1HB PRO 6 HB2 PRO 6 11.942 4.106 11.559 39 2HB PRO 6 HB3 PRO 6 10.652 5.227 12.092 40 1HG PRO 6 HG2 PRO 6 10.575 2.613 12.811 41 2HG PRO 6 HG3 PRO 6 9.074 3.442 12.278 42 1HD PRO 6 HD2 PRO 6 10.890 1.628 10.674 43 2HD PRO 6 HD3 PRO 6 9.102 1.632 10.768 44 HA PRO 7 HA PRO 7 12.688 6.818 7.309 45 1HB PRO 7 HB2 PRO 7 13.807 8.400 9.635 46 2HB PRO 7 HB3 PRO 7 13.489 8.946 7.958 47 1HG PRO 7 HG2 PRO 7 11.697 9.488 9.914 48 2HG PRO 7 HG3 PRO 7 11.121 8.904 8.318 49 1HD PRO 7 HD2 PRO 7 11.457 7.340 10.885 50 2HD PRO 7 HD3 PRO 7 10.137 7.276 9.677 51 H ASN 8 H ASN 8 14.689 6.379 6.483 52 HA ASN 8 HA ASN 8 16.913 5.457 8.169 53 1HB ASN 8 HB2 ASN 8 15.749 3.347 7.692 54 2HB ASN 8 HB3 ASN 8 15.595 3.786 5.987 55 1HD2 ASN 8 HD22 ASN 8 16.803 2.137 5.068 56 2HD2 ASN 8 HD21 ASN 8 18.533 1.960 5.335 57 H GLN 9 H GLN 9 18.911 5.650 6.978 58 HA GLN 9 HA GLN 9 18.881 7.865 5.109 59 1HB GLN 9 HB2 GLN 9 21.215 7.943 5.414 60 2HB GLN 9 HB3 GLN 9 20.495 7.621 6.985 61 1HG GLN 9 HG2 GLN 9 21.027 5.182 6.697 62 2HG GLN 9 HG3 GLN 9 21.840 5.564 5.169 63 1HE2 GLN 9 HE22 GLN 9 23.512 7.564 5.470 64 2HE2 GLN 9 HE21 GLN 9 24.575 7.349 6.844 65 H ILE 10 H ILE 10 18.045 4.849 4.303 66 HA ILE 10 HA ILE 10 19.347 5.008 1.671 67 HB ILE 10 HB ILE 10 19.022 2.358 3.124 68 1HG1 ILE 10 HG12 ILE 10 21.545 4.013 2.775 69 2HG1 ILE 10 HG13 ILE 10 20.785 3.516 4.292 70 1HG2 ILE 10 HG21 ILE 10 20.247 1.412 1.239 71 2HG2 ILE 10 HG22 ILE 10 18.901 2.318 0.595 72 3HG2 ILE 10 HG23 ILE 10 20.526 3.029 0.555 73 1HD1 ILE 10 HD11 ILE 10 22.670 2.109 3.993 74 2HD1 ILE 10 HD12 ILE 10 21.240 1.109 3.636 75 3HD1 ILE 10 HD13 ILE 10 22.249 1.739 2.317 76 H LEU 11 H LEU 11 17.937 4.492 0.067 77 HA LEU 11 HA LEU 11 15.094 3.962 0.802 78 1HB LEU 11 HB2 LEU 11 16.196 5.811 -1.364 79 2HB LEU 11 HB3 LEU 11 14.495 5.504 -1.030 80 HG LEU 11 HG LEU 11 16.435 6.917 0.857 81 1HD1 LEU 11 HD11 LEU 11 15.192 8.950 0.282 82 2HD1 LEU 11 HD12 LEU 11 15.935 8.237 -1.155 83 3HD1 LEU 11 HD13 LEU 11 14.195 8.040 -0.867 84 1HD2 LEU 11 HD21 LEU 11 14.316 7.523 2.089 85 2HD2 LEU 11 HD22 LEU 11 13.444 6.358 1.071 86 3HD2 LEU 11 HD23 LEU 11 14.743 5.811 2.157 87 H PHE 12 H PHE 12 14.001 2.701 -0.664 88 HA PHE 12 HA PHE 12 15.533 1.446 -2.892 89 1HB PHE 12 HB2 PHE 12 15.039 -0.266 -1.205 90 2HB PHE 12 HB3 PHE 12 13.357 0.255 -1.122 91 HD1 PHE 12 HD1 PHE 12 15.838 -0.753 -3.794 92 HD2 PHE 12 HD2 PHE 12 11.799 -1.037 -2.338 93 HE1 PHE 12 HE1 PHE 12 15.329 -2.405 -5.559 94 HE2 PHE 12 HE2 PHE 12 11.301 -2.738 -4.084 95 HZ PHE 12 HZ PHE 12 13.057 -3.421 -5.699 96 H LEU 13 H LEU 13 14.478 1.608 -4.832 97 HA LEU 13 HA LEU 13 11.998 3.264 -4.895 98 1HB LEU 13 HB2 LEU 13 14.691 3.578 -6.281 99 2HB LEU 13 HB3 LEU 13 13.213 4.082 -7.065 100 HG LEU 13 HG LEU 13 12.670 5.559 -5.125 101 1HD1 LEU 13 HD11 LEU 13 13.987 4.765 -3.308 102 2HD1 LEU 13 HD12 LEU 13 15.477 4.753 -4.267 103 3HD1 LEU 13 HD13 LEU 13 14.733 6.293 -3.774 104 1HD2 LEU 13 HD21 LEU 13 14.173 7.304 -5.896 105 2HD2 LEU 13 HD22 LEU 13 15.294 6.105 -6.571 106 3HD2 LEU 13 HD23 LEU 13 13.673 6.331 -7.270 107 H THR 14 H THR 14 10.656 2.853 -6.600 108 HA THR 14 HA THR 14 11.209 0.631 -8.469 109 HB THR 14 HB THR 14 9.005 -0.381 -7.850 110 HG1 THR 14 HG1 THR 14 8.008 0.188 -6.014 111 1HG2 THR 14 HG21 THR 14 11.169 -1.268 -6.882 112 2HG2 THR 14 HG22 THR 14 10.850 -0.295 -5.434 113 3HG2 THR 14 HG23 THR 14 9.728 -1.588 -5.905 114 H ASN 15 H ASN 15 9.134 0.400 -9.907 115 HA ASN 15 HA ASN 15 7.942 1.208 -11.580 116 1HB ASN 15 HB2 ASN 15 6.490 1.879 -9.609 117 2HB ASN 15 HB3 ASN 15 7.169 3.501 -9.755 118 1HD2 ASN 15 HD22 ASN 15 5.546 4.760 -10.596 119 2HD2 ASN 15 HD21 ASN 15 4.481 4.287 -11.909 120 H LEU 16 H LEU 16 10.714 1.997 -11.444 121 HA LEU 16 HA LEU 16 10.937 4.749 -12.436 122 1HB LEU 16 HB2 LEU 16 13.058 2.587 -12.393 123 2HB LEU 16 HB3 LEU 16 13.312 4.315 -12.414 124 HG LEU 16 HG LEU 16 12.255 2.691 -10.075 125 1HD1 LEU 16 HD11 LEU 16 14.358 3.219 -9.026 126 2HD1 LEU 16 HD12 LEU 16 14.641 2.391 -10.570 127 3HD1 LEU 16 HD13 LEU 16 14.888 4.139 -10.458 128 1HD2 LEU 16 HD21 LEU 16 13.021 5.634 -10.040 129 2HD2 LEU 16 HD22 LEU 16 11.335 5.100 -10.263 130 3HD2 LEU 16 HD23 LEU 16 12.177 4.699 -8.792 131 HA PRO 17 HA PRO 17 10.896 3.971 -16.858 132 1HB PRO 17 HB2 PRO 17 13.812 4.656 -16.946 133 2HB PRO 17 HB3 PRO 17 12.486 5.200 -18.014 134 1HG PRO 17 HG2 PRO 17 13.474 6.763 -16.024 135 2HG PRO 17 HG3 PRO 17 11.724 6.745 -16.394 136 1HD PRO 17 HD2 PRO 17 13.150 5.496 -14.113 137 2HD PRO 17 HD3 PRO 17 11.489 6.131 -14.199 138 H GLU 18 H GLU 18 11.638 2.420 -18.491 139 HA GLU 18 HA GLU 18 13.014 0.036 -17.477 140 1HB GLU 18 HB2 GLU 18 12.026 0.812 -20.261 141 2HB GLU 18 HB3 GLU 18 12.708 -0.763 -19.828 142 1HG GLU 18 HG2 GLU 18 10.895 -1.074 -18.141 143 2HG GLU 18 HG3 GLU 18 10.160 0.441 -18.670 144 H GLU 19 H GLU 19 14.202 2.989 -18.147 145 HA GLU 19 HA GLU 19 16.684 2.032 -19.322 146 1HB GLU 19 HB2 GLU 19 15.239 4.582 -20.155 147 2HB GLU 19 HB3 GLU 19 16.702 3.907 -20.879 148 1HG GLU 19 HG2 GLU 19 15.324 1.904 -21.597 149 2HG GLU 19 HG3 GLU 19 13.883 2.762 -21.025 150 H THR 20 H THR 20 15.619 3.143 -16.516 151 HA THR 20 HA THR 20 16.902 5.589 -15.974 152 HB THR 20 HB THR 20 16.818 3.441 -13.883 153 HG1 THR 20 HG1 THR 20 14.857 2.992 -14.148 154 1HG2 THR 20 HG21 THR 20 15.770 6.307 -13.950 155 2HG2 THR 20 HG22 THR 20 15.860 5.250 -12.525 156 3HG2 THR 20 HG23 THR 20 17.350 5.810 -13.302 157 H ASN 21 H ASN 21 18.977 6.081 -15.278 158 HA ASN 21 HA ASN 21 20.871 3.914 -14.838 159 1HB ASN 21 HB2 ASN 21 22.560 4.634 -16.258 160 2HB ASN 21 HB3 ASN 21 21.131 4.662 -17.275 161 1HD2 ASN 21 HD22 ASN 21 20.318 6.764 -17.975 162 2HD2 ASN 21 HD21 ASN 21 21.284 8.205 -17.785 163 H GLU 22 H GLU 22 22.885 4.928 -13.782 164 HA GLU 22 HA GLU 22 22.155 6.040 -11.373 165 1HB GLU 22 HB2 GLU 22 24.246 4.808 -11.990 166 2HB GLU 22 HB3 GLU 22 24.852 6.278 -12.762 167 1HG GLU 22 HG2 GLU 22 24.710 7.446 -10.547 168 2HG GLU 22 HG3 GLU 22 24.166 5.935 -9.811 169 H MET 23 H MET 23 23.057 7.781 -14.310 170 HA MET 23 HA MET 23 23.622 10.305 -13.129 171 1HB MET 23 HB2 MET 23 24.251 9.572 -15.429 172 2HB MET 23 HB3 MET 23 22.569 9.722 -15.931 173 1HG MET 23 HG2 MET 23 24.246 12.003 -14.825 174 2HG MET 23 HG3 MET 23 24.134 11.616 -16.532 175 1HE MET 23 HE1 MET 23 21.939 11.831 -18.008 176 2HE MET 23 HE2 MET 23 20.886 10.960 -16.865 177 3HE MET 23 HE3 MET 23 20.428 12.572 -17.440 178 H MET 24 H MET 24 20.552 8.854 -14.238 179 HA MET 24 HA MET 24 19.011 11.267 -14.226 180 1HB MET 24 HB2 MET 24 18.132 8.355 -13.814 181 2HB MET 24 HB3 MET 24 17.029 9.725 -13.964 182 1HG MET 24 HG2 MET 24 18.006 10.229 -16.191 183 2HG MET 24 HG3 MET 24 18.998 8.764 -16.048 184 1HE MET 24 HE1 MET 24 18.074 7.849 -18.367 185 2HE MET 24 HE2 MET 24 16.346 7.737 -18.763 186 3HE MET 24 HE3 MET 24 17.106 9.330 -18.547 187 H LEU 25 H LEU 25 19.293 8.679 -11.783 188 HA LEU 25 HA LEU 25 17.632 10.158 -9.942 189 1HB LEU 25 HB2 LEU 25 19.484 7.817 -9.349 190 2HB LEU 25 HB3 LEU 25 18.224 8.444 -8.293 191 HG LEU 25 HG LEU 25 17.886 6.984 -10.941 192 1HD1 LEU 25 HD11 LEU 25 18.290 5.613 -8.948 193 2HD1 LEU 25 HD12 LEU 25 16.958 6.417 -8.098 194 3HD1 LEU 25 HD13 LEU 25 16.629 5.403 -9.523 195 1HD2 LEU 25 HD21 LEU 25 15.400 7.246 -10.541 196 2HD2 LEU 25 HD22 LEU 25 15.795 8.506 -9.340 197 3HD2 LEU 25 HD23 LEU 25 16.227 8.715 -11.058 198 H SER 26 H SER 26 21.181 9.947 -10.462 199 HA SER 26 HA SER 26 21.874 11.256 -8.001 200 1HB SER 26 HB2 SER 26 23.338 11.288 -10.674 201 2HB SER 26 HB3 SER 26 24.006 11.745 -9.093 202 HG SER 26 HG SER 26 23.164 9.215 -10.033 203 H MET 27 H MET 27 21.223 12.494 -11.325 204 HA MET 27 HA MET 27 21.556 15.236 -10.747 205 1HB MET 27 HB2 MET 27 21.488 14.290 -13.001 206 2HB MET 27 HB3 MET 27 19.799 13.804 -12.782 207 1HG MET 27 HG2 MET 27 19.097 16.126 -12.652 208 2HG MET 27 HG3 MET 27 20.778 16.670 -12.671 209 1HE MET 27 HE1 MET 27 18.561 14.832 -16.328 210 2HE MET 27 HE2 MET 27 19.147 13.810 -15.002 211 3HE MET 27 HE3 MET 27 17.858 15.002 -14.705 212 H LEU 28 H LEU 28 18.711 13.092 -10.297 213 HA LEU 28 HA LEU 28 16.993 15.326 -9.574 214 1HB LEU 28 HB2 LEU 28 16.661 12.323 -9.278 215 2HB LEU 28 HB3 LEU 28 15.431 13.490 -8.794 216 HG LEU 28 HG LEU 28 16.520 13.247 -11.630 217 1HD1 LEU 28 HD11 LEU 28 15.232 11.243 -10.922 218 2HD1 LEU 28 HD12 LEU 28 13.859 12.300 -10.506 219 3HD1 LEU 28 HD13 LEU 28 14.413 12.163 -12.189 220 1HD2 LEU 28 HD21 LEU 28 14.542 14.616 -12.245 221 2HD2 LEU 28 HD22 LEU 28 14.187 14.856 -10.519 222 3HD2 LEU 28 HD23 LEU 28 15.678 15.503 -11.244 223 H PHE 29 H PHE 29 18.426 12.693 -7.570 224 HA PHE 29 HA PHE 29 17.374 13.978 -5.192 225 1HB PHE 29 HB2 PHE 29 19.187 11.576 -5.629 226 2HB PHE 29 HB3 PHE 29 18.767 12.193 -4.036 227 HD1 PHE 29 HD1 PHE 29 17.213 10.679 -7.090 228 HD2 PHE 29 HD2 PHE 29 16.803 11.701 -2.927 229 HE1 PHE 29 HE1 PHE 29 15.160 9.315 -6.948 230 HE2 PHE 29 HE2 PHE 29 14.728 10.354 -2.791 231 HZ PHE 29 HZ PHE 29 13.901 9.170 -4.809 232 H ASN 30 H ASN 30 20.565 14.201 -6.819 233 HA ASN 30 HA ASN 30 21.960 14.925 -4.468 234 1HB ASN 30 HB2 ASN 30 23.806 15.427 -5.728 235 2HB ASN 30 HB3 ASN 30 23.022 14.141 -6.618 236 1HD2 ASN 30 HD22 ASN 30 24.912 15.548 -7.952 237 2HD2 ASN 30 HD21 ASN 30 24.206 16.671 -9.084 238 H GLN 31 H GLN 31 19.591 16.716 -6.059 239 HA GLN 31 HA GLN 31 20.430 19.383 -5.610 240 1HB GLN 31 HB2 GLN 31 17.656 18.113 -5.569 241 2HB GLN 31 HB3 GLN 31 17.971 19.851 -5.605 242 1HG GLN 31 HG2 GLN 31 19.133 19.622 -7.779 243 2HG GLN 31 HG3 GLN 31 18.829 17.882 -7.774 244 1HE2 GLN 31 HE22 GLN 31 16.512 17.164 -7.709 245 2HE2 GLN 31 HE21 GLN 31 15.304 18.167 -8.502 246 H PHE 32 H PHE 32 19.255 16.843 -3.394 247 HA PHE 32 HA PHE 32 18.632 18.764 -1.279 248 1HB PHE 32 HB2 PHE 32 18.815 15.738 -1.142 249 2HB PHE 32 HB3 PHE 32 18.060 16.798 0.040 250 HD1 PHE 32 HD1 PHE 32 16.186 18.483 -1.118 251 HD2 PHE 32 HD2 PHE 32 17.379 14.620 -2.610 252 HE1 PHE 32 HE1 PHE 32 14.121 18.362 -2.488 253 HE2 PHE 32 HE2 PHE 32 15.321 14.501 -3.967 254 HZ PHE 32 HZ PHE 32 13.711 16.385 -3.952 255 HA PRO 33 HA PRO 33 22.879 18.802 0.042 256 1HB PRO 33 HB2 PRO 33 22.717 20.175 2.403 257 2HB PRO 33 HB3 PRO 33 22.311 20.901 0.827 258 1HG PRO 33 HG2 PRO 33 20.395 19.668 2.832 259 2HG PRO 33 HG3 PRO 33 20.297 21.283 2.060 260 1HD PRO 33 HD2 PRO 33 18.951 19.124 1.075 261 2HD PRO 33 HD3 PRO 33 19.656 20.364 -0.006 262 H GLY 34 H GLY 34 21.441 16.289 0.586 263 1HA GLY 34 HA2 GLY 34 23.083 15.266 2.841 264 2HA GLY 34 HA3 GLY 34 21.337 14.953 2.815 265 H PHE 35 H PHE 35 22.004 14.910 -0.410 266 HA PHE 35 HA PHE 35 21.842 12.168 -0.834 267 1HB PHE 35 HB2 PHE 35 21.405 13.896 -2.494 268 2HB PHE 35 HB3 PHE 35 23.069 14.463 -2.419 269 HD1 PHE 35 HD1 PHE 35 20.814 11.920 -3.748 270 HD2 PHE 35 HD2 PHE 35 24.919 13.173 -3.501 271 HE1 PHE 35 HE1 PHE 35 21.344 10.550 -5.745 272 HE2 PHE 35 HE2 PHE 35 25.479 11.685 -5.423 273 HZ PHE 35 HZ PHE 35 23.681 10.408 -6.564 274 H LYS 36 H LYS 36 23.345 10.609 -1.241 275 HA LYS 36 HA LYS 36 26.213 11.273 -0.833 276 1HB LYS 36 HB2 LYS 36 24.831 10.350 1.259 277 2HB LYS 36 HB3 LYS 36 25.165 8.788 0.494 278 1HG LYS 36 HG2 LYS 36 27.609 9.357 0.534 279 2HG LYS 36 HG3 LYS 36 27.215 10.948 1.198 280 1HD LYS 36 HD2 LYS 36 28.023 9.513 2.983 281 2HD LYS 36 HD3 LYS 36 26.341 9.960 3.245 282 1HE LYS 36 HE2 LYS 36 26.605 7.628 3.823 283 2HE LYS 36 HE3 LYS 36 25.610 7.750 2.377 284 1HZ LYS 36 HZ1 LYS 36 28.420 6.862 2.561 285 2HZ LYS 36 HZ2 LYS 36 27.121 6.059 1.938 286 3HZ LYS 36 HZ3 LYS 36 27.768 7.305 1.124 287 H GLU 37 H GLU 37 23.905 8.658 -1.978 288 HA GLU 37 HA GLU 37 25.657 8.309 -4.276 289 1HB GLU 37 HB2 GLU 37 26.782 6.994 -2.401 290 2HB GLU 37 HB3 GLU 37 25.376 5.940 -2.358 291 1HG GLU 37 HG2 GLU 37 25.855 5.033 -4.484 292 2HG GLU 37 HG3 GLU 37 26.859 6.407 -4.961 293 H VAL 38 H VAL 38 24.788 6.674 -5.806 294 HA VAL 38 HA VAL 38 21.967 5.804 -5.423 295 HB VAL 38 HB VAL 38 23.284 7.098 -7.851 296 1HG1 VAL 38 HG11 VAL 38 21.291 6.601 -9.172 297 2HG1 VAL 38 HG12 VAL 38 22.067 5.106 -8.696 298 3HG1 VAL 38 HG13 VAL 38 20.602 5.638 -7.837 299 1HG2 VAL 38 HG21 VAL 38 21.426 8.642 -7.765 300 2HG2 VAL 38 HG22 VAL 38 20.643 7.717 -6.467 301 3HG2 VAL 38 HG23 VAL 38 22.171 8.557 -6.165 302 H ARG 39 H ARG 39 21.623 3.714 -6.142 303 HA ARG 39 HA ARG 39 23.867 2.199 -7.368 304 1HB ARG 39 HB2 ARG 39 22.352 1.327 -4.876 305 2HB ARG 39 HB3 ARG 39 23.504 0.343 -5.787 306 1HG ARG 39 HG2 ARG 39 25.295 2.009 -5.282 307 2HG ARG 39 HG3 ARG 39 24.126 2.970 -4.362 308 1HD ARG 39 HD2 ARG 39 23.777 1.006 -2.846 309 2HD ARG 39 HD3 ARG 39 25.129 0.200 -3.662 310 HE ARG 39 HE ARG 39 26.470 2.304 -3.079 311 1HH1 ARG 39 HH21 ARG 39 23.824 1.282 -0.882 312 2HH1 ARG 39 HH22 ARG 39 24.386 2.348 0.388 313 1HH2 ARG 39 HH11 ARG 39 27.132 3.530 -1.488 314 2HH2 ARG 39 HH12 ARG 39 26.309 3.655 0.066 315 H LEU 40 H LEU 40 22.772 2.268 -9.283 316 HA LEU 40 HA LEU 40 19.980 1.608 -9.654 317 1HB LEU 40 HB2 LEU 40 22.125 2.717 -11.190 318 2HB LEU 40 HB3 LEU 40 21.791 1.185 -11.945 319 HG LEU 40 HG LEU 40 20.588 2.877 -13.054 320 1HD1 LEU 40 HD11 LEU 40 19.367 0.760 -12.838 321 2HD1 LEU 40 HD12 LEU 40 18.495 1.408 -11.409 322 3HD1 LEU 40 HD13 LEU 40 18.302 2.149 -12.997 323 1HD2 LEU 40 HD21 LEU 40 19.285 3.694 -10.432 324 2HD2 LEU 40 HD22 LEU 40 20.530 4.596 -11.318 325 3HD2 LEU 40 HD23 LEU 40 18.940 4.369 -12.038 326 H VAL 41 H VAL 41 19.454 -0.238 -11.131 327 HA VAL 41 HA VAL 41 21.086 -2.692 -10.670 328 HB VAL 41 HB VAL 41 18.070 -2.583 -10.910 329 1HG1 VAL 41 HG11 VAL 41 19.129 -4.690 -11.717 330 2HG1 VAL 41 HG12 VAL 41 20.009 -4.837 -10.181 331 3HG1 VAL 41 HG13 VAL 41 18.240 -4.964 -10.217 332 1HG2 VAL 41 HG21 VAL 41 19.815 -2.928 -8.431 333 2HG2 VAL 41 HG22 VAL 41 18.637 -1.632 -8.740 334 3HG2 VAL 41 HG23 VAL 41 18.077 -3.285 -8.497 335 HA PRO 42 HA PRO 42 21.027 -1.297 -15.010 336 1HB PRO 42 HB2 PRO 42 23.635 -1.872 -15.726 337 2HB PRO 42 HB3 PRO 42 23.157 -0.454 -14.754 338 1HG PRO 42 HG2 PRO 42 24.103 -3.156 -13.738 339 2HG PRO 42 HG3 PRO 42 24.739 -1.531 -13.308 340 1HD PRO 42 HD2 PRO 42 22.917 -2.750 -11.738 341 2HD PRO 42 HD3 PRO 42 22.774 -0.995 -12.080 342 H ASN 43 H ASN 43 20.118 -3.842 -14.056 343 HA ASN 43 HA ASN 43 20.017 -5.185 -16.614 344 1HB ASN 43 HB2 ASN 43 20.154 -7.423 -15.722 345 2HB ASN 43 HB3 ASN 43 21.606 -6.553 -15.262 346 1HD2 ASN 43 HD22 ASN 43 21.964 -6.091 -12.996 347 2HD2 ASN 43 HD21 ASN 43 20.963 -6.795 -11.753 348 H ARG 44 H ARG 44 18.387 -3.544 -14.255 349 HA ARG 44 HA ARG 44 15.797 -4.802 -15.043 350 1HB ARG 44 HB2 ARG 44 16.848 -4.054 -12.303 351 2HB ARG 44 HB3 ARG 44 15.149 -3.882 -12.632 352 1HG ARG 44 HG2 ARG 44 16.641 -6.505 -13.022 353 2HG ARG 44 HG3 ARG 44 15.848 -6.051 -11.515 354 1HD ARG 44 HD2 ARG 44 14.448 -6.313 -14.202 355 2HD ARG 44 HD3 ARG 44 14.433 -7.530 -12.926 356 HE ARG 44 HE ARG 44 13.215 -4.794 -12.826 357 1HH1 ARG 44 HH21 ARG 44 13.327 -8.047 -11.384 358 2HH1 ARG 44 HH22 ARG 44 11.926 -7.791 -10.414 359 1HH2 ARG 44 HH11 ARG 44 11.375 -4.478 -11.662 360 2HH2 ARG 44 HH12 ARG 44 10.782 -5.693 -10.561 361 H HIS 45 H HIS 45 17.465 -1.948 -13.729 362 HA HIS 45 HA HIS 45 17.258 0.204 -13.855 363 1HB HIS 45 HB2 HIS 45 15.511 -0.088 -16.313 364 2HB HIS 45 HB3 HIS 45 16.419 1.321 -15.807 365 HD1 HIS 45 HD1 HIS 45 16.703 -0.622 -18.559 366 HD2 HIS 45 HD2 HIS 45 19.305 0.066 -15.327 367 HE1 HIS 45 HE1 HIS 45 19.046 -1.241 -19.377 368 H ASP 46 H ASP 46 14.151 -1.524 -13.923 369 HA ASP 46 HA ASP 46 12.541 0.807 -13.461 370 1HB ASP 46 HB2 ASP 46 10.698 -0.644 -13.432 371 2HB ASP 46 HB3 ASP 46 11.791 -1.280 -14.661 372 H ILE 47 H ILE 47 14.535 -1.043 -11.409 373 HA ILE 47 HA ILE 47 13.379 0.338 -9.111 374 HB ILE 47 HB ILE 47 13.482 -1.416 -7.636 375 1HG1 ILE 47 HG12 ILE 47 15.678 -2.314 -8.091 376 2HG1 ILE 47 HG13 ILE 47 14.472 -3.558 -7.824 377 1HG2 ILE 47 HG21 ILE 47 12.510 -2.816 -10.146 378 2HG2 ILE 47 HG22 ILE 47 12.091 -3.216 -8.469 379 3HG2 ILE 47 HG23 ILE 47 11.569 -1.677 -9.177 380 1HD1 ILE 47 HD11 ILE 47 14.412 -4.068 -10.219 381 2HD1 ILE 47 HD12 ILE 47 15.590 -2.762 -10.526 382 3HD1 ILE 47 HD13 ILE 47 16.052 -4.175 -9.556 383 H ALA 48 H ALA 48 15.020 0.758 -7.414 384 HA ALA 48 HA ALA 48 17.856 0.557 -8.080 385 1HB ALA 48 HB1 ALA 48 18.206 2.998 -8.253 386 2HB ALA 48 HB2 ALA 48 17.090 2.482 -9.530 387 3HB ALA 48 HB3 ALA 48 16.465 3.282 -8.069 388 H PHE 49 H PHE 49 19.119 1.942 -6.395 389 HA PHE 49 HA PHE 49 17.578 2.380 -3.913 390 1HB PHE 49 HB2 PHE 49 20.337 1.129 -4.128 391 2HB PHE 49 HB3 PHE 49 19.582 1.637 -2.634 392 HD1 PHE 49 HD1 PHE 49 19.212 -0.759 -5.507 393 HD2 PHE 49 HD2 PHE 49 18.231 0.134 -1.396 394 HE1 PHE 49 HE1 PHE 49 18.220 -3.019 -5.262 395 HE2 PHE 49 HE2 PHE 49 17.311 -2.160 -1.131 396 HZ PHE 49 HZ PHE 49 17.303 -3.738 -3.055 397 H VAL 50 H VAL 50 18.423 4.084 -2.611 398 HA VAL 50 HA VAL 50 20.513 5.830 -3.782 399 HB VAL 50 HB VAL 50 17.784 6.834 -2.846 400 1HG1 VAL 50 HG11 VAL 50 19.591 8.477 -2.532 401 2HG1 VAL 50 HG12 VAL 50 20.100 8.273 -4.216 402 3HG1 VAL 50 HG13 VAL 50 18.517 8.985 -3.839 403 1HG2 VAL 50 HG21 VAL 50 18.784 6.564 -5.709 404 2HG2 VAL 50 HG22 VAL 50 17.426 5.698 -4.974 405 3HG2 VAL 50 HG23 VAL 50 17.320 7.441 -5.200 406 H GLU 51 H GLU 51 21.608 7.043 -2.096 407 HA GLU 51 HA GLU 51 20.973 6.244 0.695 408 1HB GLU 51 HB2 GLU 51 22.566 4.629 -0.118 409 2HB GLU 51 HB3 GLU 51 23.596 5.891 -0.807 410 1HG GLU 51 HG2 GLU 51 24.185 6.733 1.360 411 2HG GLU 51 HG3 GLU 51 22.993 5.712 2.172 412 H PHE 52 H PHE 52 21.635 7.655 2.228 413 HA PHE 52 HA PHE 52 22.410 10.401 1.397 414 1HB PHE 52 HB2 PHE 52 20.003 9.321 2.865 415 2HB PHE 52 HB3 PHE 52 20.643 10.856 3.373 416 HD1 PHE 52 HD1 PHE 52 19.509 9.128 0.203 417 HD2 PHE 52 HD2 PHE 52 19.968 12.819 2.379 418 HE1 PHE 52 HE1 PHE 52 18.420 10.364 -1.647 419 HE2 PHE 52 HE2 PHE 52 18.854 14.047 0.540 420 HZ PHE 52 HZ PHE 52 18.140 12.832 -1.501 421 H THR 53 H THR 53 22.998 11.712 3.213 422 HA THR 53 HA THR 53 24.895 10.610 5.067 423 HB THR 53 HB THR 53 23.465 13.299 4.836 424 HG1 THR 53 HG1 THR 53 24.769 12.869 3.091 425 1HG2 THR 53 HG21 THR 53 24.256 13.128 7.103 426 2HG2 THR 53 HG22 THR 53 25.843 12.528 6.569 427 3HG2 THR 53 HG23 THR 53 25.342 14.203 6.211 428 H THR 54 H THR 54 21.510 11.873 5.444 429 HA THR 54 HA THR 54 21.370 10.522 8.071 430 HB THR 54 HB THR 54 20.025 12.861 8.500 431 HG1 THR 54 HG1 THR 54 21.377 14.527 7.772 432 1HG2 THR 54 HG21 THR 54 21.689 11.895 9.993 433 2HG2 THR 54 HG22 THR 54 23.002 12.395 8.906 434 3HG2 THR 54 HG23 THR 54 22.014 13.616 9.743 435 H GLU 55 H GLU 55 19.470 9.948 8.770 436 HA GLU 55 HA GLU 55 17.607 8.898 6.943 437 1HB GLU 55 HB2 GLU 55 17.085 9.468 9.888 438 2HB GLU 55 HB3 GLU 55 16.345 8.212 8.892 439 1HG GLU 55 HG2 GLU 55 18.597 7.122 8.681 440 2HG GLU 55 HG3 GLU 55 19.267 8.333 9.767 441 H LEU 56 H LEU 56 17.555 11.941 8.755 442 HA LEU 56 HA LEU 56 14.822 12.649 8.181 443 1HB LEU 56 HB2 LEU 56 17.297 14.120 9.127 444 2HB LEU 56 HB3 LEU 56 15.911 15.041 8.552 445 HG LEU 56 HG LEU 56 14.431 13.981 10.197 446 1HD1 LEU 56 HD11 LEU 56 15.507 11.816 10.580 447 2HD1 LEU 56 HD12 LEU 56 16.950 12.615 11.251 448 3HD1 LEU 56 HD13 LEU 56 15.394 12.696 12.102 449 1HD2 LEU 56 HD21 LEU 56 16.944 15.207 11.415 450 2HD2 LEU 56 HD22 LEU 56 15.577 16.103 10.715 451 3HD2 LEU 56 HD23 LEU 56 15.337 15.134 12.175 452 H GLN 57 H GLN 57 17.901 13.022 6.391 453 HA GLN 57 HA GLN 57 16.667 14.937 4.547 454 1HB GLN 57 HB2 GLN 57 19.425 13.650 4.528 455 2HB GLN 57 HB3 GLN 57 18.838 14.895 3.406 456 1HG GLN 57 HG2 GLN 57 18.285 16.292 5.530 457 2HG GLN 57 HG3 GLN 57 19.305 15.144 6.400 458 1HE2 GLN 57 HE22 GLN 57 21.629 15.033 5.772 459 2HE2 GLN 57 HE21 GLN 57 22.361 16.397 4.928 460 H SER 58 H SER 58 17.594 11.410 4.464 461 HA SER 58 HA SER 58 16.683 11.021 1.774 462 1HB SER 58 HB2 SER 58 16.220 8.652 2.645 463 2HB SER 58 HB3 SER 58 17.886 9.223 2.719 464 HG SER 58 HG SER 58 16.708 8.216 4.682 465 H ASN 59 H ASN 59 14.959 10.954 4.962 466 HA ASN 59 HA ASN 59 12.405 10.349 3.956 467 1HB ASN 59 HB2 ASN 59 12.766 10.381 6.337 468 2HB ASN 59 HB3 ASN 59 13.234 12.072 6.312 469 1HD2 ASN 59 HD22 ASN 59 11.640 13.521 6.890 470 2HD2 ASN 59 HD21 ASN 59 9.929 13.209 6.762 471 H ALA 60 H ALA 60 13.851 13.615 4.360 472 HA ALA 60 HA ALA 60 11.617 14.997 3.282 473 1HB ALA 60 HB1 ALA 60 13.416 16.111 4.533 474 2HB ALA 60 HB2 ALA 60 14.555 15.796 3.198 475 3HB ALA 60 HB3 ALA 60 13.161 16.871 2.950 476 H ALA 61 H ALA 61 14.485 13.656 1.625 477 HA ALA 61 HA ALA 61 13.800 14.579 -0.982 478 1HB ALA 61 HB1 ALA 61 16.036 13.723 -0.350 479 2HB ALA 61 HB2 ALA 61 15.364 12.081 -0.193 480 3HB ALA 61 HB3 ALA 61 15.355 12.897 -1.768 481 H LYS 62 H LYS 62 12.940 11.550 0.756 482 HA LYS 62 HA LYS 62 11.501 10.297 -1.345 483 1HB LYS 62 HB2 LYS 62 12.073 9.004 0.574 484 2HB LYS 62 HB3 LYS 62 11.358 10.160 1.683 485 1HG LYS 62 HG2 LYS 62 9.095 9.597 0.882 486 2HG LYS 62 HG3 LYS 62 9.783 8.404 -0.230 487 1HD LYS 62 HD2 LYS 62 10.596 7.054 1.583 488 2HD LYS 62 HD3 LYS 62 10.280 8.319 2.776 489 1HE LYS 62 HE2 LYS 62 8.064 7.065 1.112 490 2HE LYS 62 HE3 LYS 62 8.605 6.358 2.638 491 1HZ LYS 62 HZ1 LYS 62 6.692 7.854 2.908 492 2HZ LYS 62 HZ2 LYS 62 7.968 8.351 3.786 493 3HZ LYS 62 HZ3 LYS 62 7.568 9.152 2.427 494 H GLU 63 H GLU 63 10.285 12.501 1.285 495 HA GLU 63 HA GLU 63 7.644 12.521 0.260 496 1HB GLU 63 HB2 GLU 63 9.097 14.683 1.851 497 2HB GLU 63 HB3 GLU 63 7.355 14.612 1.589 498 1HG GLU 63 HG2 GLU 63 9.031 12.624 3.164 499 2HG GLU 63 HG3 GLU 63 7.900 13.790 3.804 500 H ALA 64 H ALA 64 10.455 14.481 -0.623 501 HA ALA 64 HA ALA 64 9.055 16.397 -2.206 502 1HB ALA 64 HB1 ALA 64 11.321 16.734 -1.264 503 2HB ALA 64 HB2 ALA 64 11.949 15.465 -2.344 504 3HB ALA 64 HB3 ALA 64 11.300 16.969 -3.026 505 H LEU 65 H LEU 65 10.588 13.244 -3.076 506 HA LEU 65 HA LEU 65 9.824 13.743 -5.922 507 1HB LEU 65 HB2 LEU 65 12.020 12.039 -4.706 508 2HB LEU 65 HB3 LEU 65 11.607 12.054 -6.415 509 HG LEU 65 HG LEU 65 12.663 14.432 -4.852 510 1HD1 LEU 65 HD11 LEU 65 14.671 14.108 -6.276 511 2HD1 LEU 65 HD12 LEU 65 14.339 12.684 -5.276 512 3HD1 LEU 65 HD13 LEU 65 13.923 12.664 -6.996 513 1HD2 LEU 65 HD21 LEU 65 11.976 14.173 -7.817 514 2HD2 LEU 65 HD22 LEU 65 11.204 15.264 -6.643 515 3HD2 LEU 65 HD23 LEU 65 12.886 15.515 -7.095 516 H GLN 66 H GLN 66 8.636 11.846 -3.363 517 HA GLN 66 HA GLN 66 7.953 9.508 -4.851 518 1HB GLN 66 HB2 GLN 66 6.667 10.953 -2.521 519 2HB GLN 66 HB3 GLN 66 5.721 9.754 -3.408 520 1HG GLN 66 HG2 GLN 66 7.563 8.085 -3.084 521 2HG GLN 66 HG3 GLN 66 8.358 9.221 -1.999 522 1HE2 GLN 66 HE22 GLN 66 7.191 6.480 -1.408 523 2HE2 GLN 66 HE21 GLN 66 5.925 6.752 -0.242 524 H GLY 67 H GLY 67 6.718 9.201 -6.549 525 1HA GLY 67 HA2 GLY 67 4.968 9.417 -8.022 526 2HA GLY 67 HA3 GLY 67 4.444 10.911 -7.241 527 H PHE 68 H PHE 68 7.786 11.251 -7.875 528 HA PHE 68 HA PHE 68 7.275 13.282 -9.828 529 1HB PHE 68 HB2 PHE 68 9.109 13.366 -8.171 530 2HB PHE 68 HB3 PHE 68 9.866 11.957 -8.910 531 HD1 PHE 68 HD1 PHE 68 11.042 12.130 -11.070 532 HD2 PHE 68 HD2 PHE 68 9.204 15.576 -9.230 533 HE1 PHE 68 HE1 PHE 68 12.287 13.624 -12.608 534 HE2 PHE 68 HE2 PHE 68 10.475 17.064 -10.754 535 HZ PHE 68 HZ PHE 68 12.015 16.092 -12.452 536 H LYS 69 H LYS 69 6.989 13.008 -11.984 537 HA LYS 69 HA LYS 69 7.432 10.481 -13.343 538 1HB LYS 69 HB2 LYS 69 6.559 13.240 -14.158 539 2HB LYS 69 HB3 LYS 69 7.404 12.291 -15.378 540 1HG LYS 69 HG2 LYS 69 5.081 11.923 -15.660 541 2HG LYS 69 HG3 LYS 69 5.860 10.439 -15.130 542 1HD LYS 69 HD2 LYS 69 5.039 10.968 -12.769 543 2HD LYS 69 HD3 LYS 69 4.054 12.249 -13.482 544 1HE LYS 69 HE2 LYS 69 4.000 9.292 -14.280 545 2HE LYS 69 HE3 LYS 69 2.875 10.041 -13.134 546 1HZ LYS 69 HZ1 LYS 69 1.800 9.968 -15.207 547 2HZ LYS 69 HZ2 LYS 69 2.188 11.534 -15.004 548 3HZ LYS 69 HZ3 LYS 69 3.054 10.578 -16.036 549 H ILE 70 H ILE 70 9.409 9.660 -13.495 550 HA ILE 70 HA ILE 70 11.822 11.312 -13.889 551 HB ILE 70 HB ILE 70 11.341 8.333 -14.197 552 1HG1 ILE 70 HG12 ILE 70 12.806 9.815 -11.970 553 2HG1 ILE 70 HG13 ILE 70 11.107 9.367 -11.860 554 1HG2 ILE 70 HG21 ILE 70 13.847 8.205 -14.187 555 2HG2 ILE 70 HG22 ILE 70 13.257 9.137 -15.567 556 3HG2 ILE 70 HG23 ILE 70 13.920 9.978 -14.152 557 1HD1 ILE 70 HD11 ILE 70 11.650 6.991 -12.113 558 2HD1 ILE 70 HD12 ILE 70 13.389 7.383 -12.186 559 3HD1 ILE 70 HD13 ILE 70 12.458 7.719 -10.724 560 H THR 71 H THR 71 9.532 9.276 -15.812 561 HA THR 71 HA THR 71 9.832 11.086 -18.098 562 HB THR 71 HB THR 71 9.508 8.964 -19.571 563 HG1 THR 71 HG1 THR 71 10.696 7.753 -17.327 564 1HG2 THR 71 HG21 THR 71 12.225 9.285 -18.221 565 2HG2 THR 71 HG22 THR 71 11.898 8.492 -19.778 566 3HG2 THR 71 HG23 THR 71 11.633 10.235 -19.600 567 HA PRO 72 HA PRO 72 5.699 11.572 -17.731 568 1HB PRO 72 HB2 PRO 72 4.427 10.837 -20.161 569 2HB PRO 72 HB3 PRO 72 5.148 12.408 -19.708 570 1HG PRO 72 HG2 PRO 72 6.397 10.120 -21.228 571 2HG PRO 72 HG3 PRO 72 6.542 11.881 -21.540 572 1HD PRO 72 HD2 PRO 72 8.520 10.570 -20.326 573 2HD PRO 72 HD3 PRO 72 8.027 12.162 -19.695 574 H THR 73 H THR 73 6.400 8.217 -18.385 575 HA THR 73 HA THR 73 3.784 7.452 -17.209 576 HB THR 73 HB THR 73 4.151 5.318 -18.600 577 HG1 THR 73 HG1 THR 73 6.257 5.488 -19.210 578 1HG2 THR 73 HG21 THR 73 3.826 7.916 -20.170 579 2HG2 THR 73 HG22 THR 73 3.284 6.295 -20.655 580 3HG2 THR 73 HG23 THR 73 2.540 7.093 -19.260 581 H HIS 74 H HIS 74 6.683 7.966 -16.070 582 HA HIS 74 HA HIS 74 6.726 5.499 -14.408 583 1HB HIS 74 HB2 HIS 74 9.149 6.840 -15.651 584 2HB HIS 74 HB3 HIS 74 9.164 5.498 -14.509 585 HD1 HIS 74 HD1 HIS 74 9.081 6.125 -18.159 586 HD2 HIS 74 HD2 HIS 74 7.859 3.137 -15.455 587 HE1 HIS 74 HE1 HIS 74 8.661 4.018 -19.550 588 H ALA 75 H ALA 75 5.434 6.872 -13.101 589 HA ALA 75 HA ALA 75 6.570 9.136 -11.674 590 1HB ALA 75 HB1 ALA 75 4.125 8.794 -11.781 591 2HB ALA 75 HB2 ALA 75 4.289 7.227 -10.961 592 3HB ALA 75 HB3 ALA 75 4.697 8.729 -10.113 593 H MET 76 H MET 76 8.436 8.791 -10.639 594 HA MET 76 HA MET 76 9.633 6.548 -9.616 595 1HB MET 76 HB2 MET 76 10.547 8.874 -9.787 596 2HB MET 76 HB3 MET 76 9.566 9.353 -8.405 597 1HG MET 76 HG2 MET 76 10.745 7.619 -7.036 598 2HG MET 76 HG3 MET 76 11.793 7.284 -8.417 599 1HE MET 76 HE1 MET 76 12.221 10.390 -9.563 600 2HE MET 76 HE2 MET 76 13.732 10.771 -8.712 601 3HE MET 76 HE3 MET 76 13.514 9.174 -9.451 602 H LYS 77 H LYS 77 9.060 5.064 -8.060 603 HA LYS 77 HA LYS 77 7.260 5.949 -5.863 604 1HB LYS 77 HB2 LYS 77 6.554 4.119 -7.497 605 2HB LYS 77 HB3 LYS 77 7.885 3.143 -6.867 606 1HG LYS 77 HG2 LYS 77 6.880 3.254 -4.612 607 2HG LYS 77 HG3 LYS 77 5.583 4.296 -5.250 608 1HD LYS 77 HD2 LYS 77 5.000 2.415 -6.876 609 2HD LYS 77 HD3 LYS 77 6.172 1.406 -6.014 610 1HE LYS 77 HE2 LYS 77 4.804 2.117 -3.879 611 2HE LYS 77 HE3 LYS 77 3.552 2.571 -5.054 612 1HZ LYS 77 HZ1 LYS 77 3.265 0.298 -4.266 613 2HZ LYS 77 HZ2 LYS 77 3.623 0.259 -5.858 614 3HZ LYS 77 HZ3 LYS 77 4.778 -0.113 -4.743 615 H ILE 78 H ILE 78 8.096 5.640 -3.759 616 HA ILE 78 HA ILE 78 10.967 4.901 -3.524 617 HB ILE 78 HB ILE 78 9.731 7.394 -2.311 618 1HG1 ILE 78 HG12 ILE 78 11.469 7.329 -4.807 619 2HG1 ILE 78 HG13 ILE 78 9.760 7.759 -4.742 620 1HG2 ILE 78 HG21 ILE 78 11.693 6.452 -1.100 621 2HG2 ILE 78 HG22 ILE 78 12.652 6.601 -2.586 622 3HG2 ILE 78 HG23 ILE 78 12.024 8.032 -1.755 623 1HD1 ILE 78 HD11 ILE 78 12.056 9.333 -3.536 624 2HD1 ILE 78 HD12 ILE 78 11.001 9.772 -4.878 625 3HD1 ILE 78 HD13 ILE 78 10.337 9.672 -3.241 626 H THR 79 H THR 79 11.447 3.997 -1.560 627 HA THR 79 HA THR 79 9.509 3.894 0.656 628 HB THR 79 HB THR 79 10.347 1.283 0.477 629 HG1 THR 79 HG1 THR 79 11.108 1.879 -1.779 630 1HG2 THR 79 HG21 THR 79 8.009 2.108 0.825 631 2HG2 THR 79 HG22 THR 79 7.867 2.388 -0.927 632 3HG2 THR 79 HG23 THR 79 8.106 0.742 -0.286 633 H PHE 80 H PHE 80 10.668 3.175 2.674 634 HA PHE 80 HA PHE 80 13.506 3.917 2.629 635 1HB PHE 80 HB2 PHE 80 11.682 2.886 4.832 636 2HB PHE 80 HB3 PHE 80 13.390 3.243 5.050 637 HD1 PHE 80 HD1 PHE 80 10.101 4.646 5.172 638 HD2 PHE 80 HD2 PHE 80 14.221 5.636 4.362 639 HE1 PHE 80 HE1 PHE 80 9.605 7.039 5.558 640 HE2 PHE 80 HE2 PHE 80 13.707 8.041 4.683 641 HZ PHE 80 HZ PHE 80 11.386 8.738 5.287 642 H ALA 81 H ALA 81 15.178 2.532 2.545 643 HA ALA 81 HA ALA 81 14.686 -0.361 2.121 644 1HB ALA 81 HB1 ALA 81 17.272 1.251 2.085 645 2HB ALA 81 HB2 ALA 81 17.083 -0.442 1.593 646 3HB ALA 81 HB3 ALA 81 16.311 0.835 0.648 647 H LYS 82 H LYS 82 16.741 -1.568 3.433 648 HA LYS 82 HA LYS 82 16.640 -0.684 6.279 649 1HB LYS 82 HB2 LYS 82 16.061 -3.469 5.170 650 2HB LYS 82 HB3 LYS 82 16.488 -3.148 6.856 651 1HG LYS 82 HG2 LYS 82 14.535 -1.659 7.098 652 2HG LYS 82 HG3 LYS 82 14.096 -1.925 5.410 653 1HD LYS 82 HD2 LYS 82 12.683 -3.288 6.828 654 2HD LYS 82 HD3 LYS 82 13.706 -4.301 5.826 655 1HE LYS 82 HE2 LYS 82 13.487 -5.205 8.076 656 2HE LYS 82 HE3 LYS 82 15.167 -4.821 7.706 657 1HZ LYS 82 HZ1 LYS 82 13.389 -3.046 9.298 658 2HZ LYS 82 HZ2 LYS 82 14.424 -4.134 9.952 659 3HZ LYS 82 HZ3 LYS 82 15.005 -2.879 9.095 660 H LYS 83 H LYS 83 18.622 -0.611 7.127 661 HA LYS 83 HA LYS 83 20.975 -1.547 5.656 662 1HB LYS 83 HB2 LYS 83 20.603 -0.294 8.419 663 2HB LYS 83 HB3 LYS 83 22.164 -0.809 7.757 664 1HG LYS 83 HG2 LYS 83 21.815 0.654 5.788 665 2HG LYS 83 HG3 LYS 83 20.322 1.278 6.491 666 1HD LYS 83 HD2 LYS 83 23.117 1.533 7.689 667 2HD LYS 83 HD3 LYS 83 22.278 2.787 6.763 668 1HE LYS 83 HE2 LYS 83 20.514 2.938 8.462 669 2HE LYS 83 HE3 LYS 83 21.228 1.602 9.373 670 1HZ LYS 83 HZ1 LYS 83 22.564 4.219 8.916 671 2HZ LYS 83 HZ2 LYS 83 21.831 3.752 10.302 672 3HZ LYS 83 HZ3 LYS 83 23.165 2.972 9.792 Start of MODEL 14 1 1H ALA 1 H1 ALA 1 5.404 -7.017 -2.457 2 2H ALA 1 H2 ALA 1 4.780 -7.409 -0.999 3 3H ALA 1 H3 ALA 1 3.788 -7.260 -2.303 4 HA ALA 1 HA ALA 1 4.257 -4.930 -2.475 5 1HB ALA 1 HB1 ALA 1 3.364 -5.725 0.337 6 2HB ALA 1 HB2 ALA 1 3.128 -4.141 -0.428 7 3HB ALA 1 HB3 ALA 1 2.316 -5.569 -1.093 8 H GLN 2 H GLN 2 5.717 -3.313 -2.175 9 HA GLN 2 HA GLN 2 8.230 -3.813 -0.974 10 1HB GLN 2 HB2 GLN 2 8.688 -1.436 -1.392 11 2HB GLN 2 HB3 GLN 2 7.995 -2.266 -2.777 12 1HG GLN 2 HG2 GLN 2 5.710 -1.250 -2.016 13 2HG GLN 2 HG3 GLN 2 6.681 -0.171 -1.014 14 1HE2 GLN 2 HE22 GLN 2 8.675 0.886 -2.431 15 2HE2 GLN 2 HE21 GLN 2 8.233 1.269 -4.085 16 H THR 3 H THR 3 8.940 -3.700 1.083 17 HA THR 3 HA THR 3 7.068 -3.336 3.220 18 HB THR 3 HB THR 3 9.318 -3.763 4.518 19 HG1 THR 3 HG1 THR 3 10.858 -4.777 3.083 20 1HG2 THR 3 HG21 THR 3 7.602 -5.507 4.076 21 2HG2 THR 3 HG22 THR 3 8.312 -5.806 2.475 22 3HG2 THR 3 HG23 THR 3 9.241 -6.160 3.950 23 H GLU 4 H GLU 4 7.529 -1.919 5.137 24 HA GLU 4 HA GLU 4 8.815 0.672 4.431 25 1HB GLU 4 HB2 GLU 4 6.101 0.217 5.744 26 2HB GLU 4 HB3 GLU 4 6.961 1.762 5.730 27 1HG GLU 4 HG2 GLU 4 6.927 1.773 3.250 28 2HG GLU 4 HG3 GLU 4 6.030 0.253 3.249 29 H GLN 5 H GLN 5 9.385 1.889 6.423 30 HA GLN 5 HA GLN 5 9.785 0.427 8.916 31 1HB GLN 5 HB2 GLN 5 12.031 1.240 6.996 32 2HB GLN 5 HB3 GLN 5 12.317 1.055 8.718 33 1HG GLN 5 HG2 GLN 5 11.442 -1.163 6.845 34 2HG GLN 5 HG3 GLN 5 13.048 -0.889 7.506 35 1HE2 GLN 5 HE22 GLN 5 9.835 -2.099 8.212 36 2HE2 GLN 5 HE21 GLN 5 10.243 -2.837 9.757 37 HA PRO 6 HA PRO 6 10.193 4.796 10.360 38 1HB PRO 6 HB2 PRO 6 12.647 3.730 11.757 39 2HB PRO 6 HB3 PRO 6 11.365 4.802 12.399 40 1HG PRO 6 HG2 PRO 6 11.404 2.170 13.054 41 2HG PRO 6 HG3 PRO 6 9.852 2.971 12.645 42 1HD PRO 6 HD2 PRO 6 11.599 1.245 10.876 43 2HD PRO 6 HD3 PRO 6 9.823 1.201 11.091 44 HA PRO 7 HA PRO 7 13.026 6.481 7.488 45 1HB PRO 7 HB2 PRO 7 14.183 8.209 9.683 46 2HB PRO 7 HB3 PRO 7 13.703 8.678 8.020 47 1HG PRO 7 HG2 PRO 7 12.038 9.164 10.101 48 2HG PRO 7 HG3 PRO 7 11.384 8.511 8.563 49 1HD PRO 7 HD2 PRO 7 11.998 7.027 11.126 50 2HD PRO 7 HD3 PRO 7 10.598 6.866 10.023 51 H ASN 8 H ASN 8 15.029 6.239 6.577 52 HA ASN 8 HA ASN 8 17.362 5.365 8.150 53 1HB ASN 8 HB2 ASN 8 16.277 3.216 7.613 54 2HB ASN 8 HB3 ASN 8 16.022 3.727 5.949 55 1HD2 ASN 8 HD22 ASN 8 17.224 2.109 4.954 56 2HD2 ASN 8 HD21 ASN 8 18.977 2.042 5.087 57 H GLN 9 H GLN 9 19.299 5.808 6.954 58 HA GLN 9 HA GLN 9 19.070 8.013 5.083 59 1HB GLN 9 HB2 GLN 9 21.417 8.247 5.333 60 2HB GLN 9 HB3 GLN 9 20.731 7.937 6.916 61 1HG GLN 9 HG2 GLN 9 21.449 5.537 6.740 62 2HG GLN 9 HG3 GLN 9 22.193 5.893 5.177 63 1HE2 GLN 9 HE22 GLN 9 23.801 7.879 5.240 64 2HE2 GLN 9 HE21 GLN 9 24.876 7.896 6.620 65 H ILE 10 H ILE 10 18.261 5.119 4.198 66 HA ILE 10 HA ILE 10 19.615 5.212 1.611 67 HB ILE 10 HB ILE 10 19.348 2.555 3.051 68 1HG1 ILE 10 HG12 ILE 10 21.906 4.185 2.882 69 2HG1 ILE 10 HG13 ILE 10 20.990 3.834 4.350 70 1HG2 ILE 10 HG21 ILE 10 20.984 3.349 0.600 71 2HG2 ILE 10 HG22 ILE 10 20.757 1.704 1.231 72 3HG2 ILE 10 HG23 ILE 10 19.400 2.553 0.530 73 1HD1 ILE 10 HD11 ILE 10 22.503 1.817 2.677 74 2HD1 ILE 10 HD12 ILE 10 22.847 2.364 4.320 75 3HD1 ILE 10 HD13 ILE 10 21.398 1.391 4.012 76 H LEU 11 H LEU 11 18.182 4.583 0.022 77 HA LEU 11 HA LEU 11 15.359 4.037 0.827 78 1HB LEU 11 HB2 LEU 11 16.397 5.879 -1.364 79 2HB LEU 11 HB3 LEU 11 14.706 5.537 -1.013 80 HG LEU 11 HG LEU 11 16.625 7.015 0.834 81 1HD1 LEU 11 HD11 LEU 11 14.299 8.033 -0.842 82 2HD1 LEU 11 HD12 LEU 11 15.286 8.992 0.275 83 3HD1 LEU 11 HD13 LEU 11 16.022 8.300 -1.175 84 1HD2 LEU 11 HD21 LEU 11 13.671 6.310 1.120 85 2HD2 LEU 11 HD22 LEU 11 15.021 5.860 2.190 86 3HD2 LEU 11 HD23 LEU 11 14.486 7.541 2.103 87 H PHE 12 H PHE 12 14.177 2.879 -0.738 88 HA PHE 12 HA PHE 12 15.679 1.552 -2.936 89 1HB PHE 12 HB2 PHE 12 15.294 -0.144 -1.224 90 2HB PHE 12 HB3 PHE 12 13.615 0.363 -1.036 91 HD1 PHE 12 HD1 PHE 12 16.008 -0.902 -3.642 92 HD2 PHE 12 HD2 PHE 12 11.900 -0.668 -2.364 93 HE1 PHE 12 HE1 PHE 12 15.378 -2.543 -5.385 94 HE2 PHE 12 HE2 PHE 12 11.273 -2.330 -4.092 95 HZ PHE 12 HZ PHE 12 13.009 -3.273 -5.611 96 H LEU 13 H LEU 13 14.622 1.805 -4.855 97 HA LEU 13 HA LEU 13 12.031 3.273 -4.813 98 1HB LEU 13 HB2 LEU 13 14.541 3.836 -6.437 99 2HB LEU 13 HB3 LEU 13 12.935 4.408 -6.868 100 HG LEU 13 HG LEU 13 12.760 5.733 -4.801 101 1HD1 LEU 13 HD11 LEU 13 14.999 6.234 -3.631 102 2HD1 LEU 13 HD12 LEU 13 14.185 4.735 -3.202 103 3HD1 LEU 13 HD13 LEU 13 15.577 4.688 -4.304 104 1HD2 LEU 13 HD21 LEU 13 13.549 6.688 -6.921 105 2HD2 LEU 13 HD22 LEU 13 14.414 7.417 -5.568 106 3HD2 LEU 13 HD23 LEU 13 15.219 6.194 -6.560 107 H THR 14 H THR 14 10.823 3.029 -6.701 108 HA THR 14 HA THR 14 11.267 0.648 -8.409 109 HB THR 14 HB THR 14 8.723 0.196 -7.639 110 HG1 THR 14 HG1 THR 14 9.958 1.308 -5.343 111 1HG2 THR 14 HG21 THR 14 11.224 -0.702 -6.184 112 2HG2 THR 14 HG22 THR 14 9.601 -1.341 -5.819 113 3HG2 THR 14 HG23 THR 14 10.291 -1.560 -7.427 114 H ASN 15 H ASN 15 9.335 0.445 -9.955 115 HA ASN 15 HA ASN 15 8.324 1.202 -11.771 116 1HB ASN 15 HB2 ASN 15 6.609 1.809 -10.032 117 2HB ASN 15 HB3 ASN 15 7.234 3.462 -10.069 118 1HD2 ASN 15 HD22 ASN 15 5.826 4.725 -11.281 119 2HD2 ASN 15 HD21 ASN 15 4.975 4.176 -12.722 120 H LEU 16 H LEU 16 11.007 2.002 -11.474 121 HA LEU 16 HA LEU 16 11.324 4.754 -12.423 122 1HB LEU 16 HB2 LEU 16 13.295 2.449 -12.448 123 2HB LEU 16 HB3 LEU 16 13.683 4.149 -12.585 124 HG LEU 16 HG LEU 16 12.596 2.762 -10.098 125 1HD1 LEU 16 HD11 LEU 16 15.333 3.945 -10.667 126 2HD1 LEU 16 HD12 LEU 16 14.777 3.129 -9.181 127 3HD1 LEU 16 HD13 LEU 16 14.939 2.222 -10.701 128 1HD2 LEU 16 HD21 LEU 16 13.049 4.904 -8.958 129 2HD2 LEU 16 HD22 LEU 16 13.540 5.630 -10.486 130 3HD2 LEU 16 HD23 LEU 16 11.843 5.132 -10.224 131 HA PRO 17 HA PRO 17 11.083 3.944 -16.843 132 1HB PRO 17 HB2 PRO 17 13.820 5.053 -17.188 133 2HB PRO 17 HB3 PRO 17 12.288 5.541 -17.961 134 1HG PRO 17 HG2 PRO 17 13.597 6.885 -15.888 135 2HG PRO 17 HG3 PRO 17 11.859 7.071 -16.273 136 1HD PRO 17 HD2 PRO 17 13.091 5.744 -13.978 137 2HD PRO 17 HD3 PRO 17 11.397 6.192 -14.236 138 H GLU 18 H GLU 18 11.828 2.357 -18.339 139 HA GLU 18 HA GLU 18 13.645 0.302 -17.412 140 1HB GLU 18 HB2 GLU 18 12.403 0.847 -20.145 141 2HB GLU 18 HB3 GLU 18 13.321 -0.606 -19.725 142 1HG GLU 18 HG2 GLU 18 11.678 -1.119 -17.921 143 2HG GLU 18 HG3 GLU 18 10.713 0.274 -18.415 144 H GLU 19 H GLU 19 14.316 3.371 -18.493 145 HA GLU 19 HA GLU 19 16.876 2.632 -19.655 146 1HB GLU 19 HB2 GLU 19 16.714 4.683 -20.985 147 2HB GLU 19 HB3 GLU 19 15.301 3.659 -21.234 148 1HG GLU 19 HG2 GLU 19 13.958 5.071 -19.740 149 2HG GLU 19 HG3 GLU 19 15.357 6.084 -19.388 150 H THR 20 H THR 20 15.900 3.371 -16.706 151 HA THR 20 HA THR 20 17.155 5.852 -16.055 152 HB THR 20 HB THR 20 16.726 3.529 -14.132 153 HG1 THR 20 HG1 THR 20 14.766 3.658 -15.032 154 1HG2 THR 20 HG21 THR 20 17.778 5.642 -13.234 155 2HG2 THR 20 HG22 THR 20 16.376 6.557 -13.842 156 3HG2 THR 20 HG23 THR 20 16.168 5.347 -12.561 157 H ASN 21 H ASN 21 19.175 6.284 -15.235 158 HA ASN 21 HA ASN 21 21.068 4.109 -14.737 159 1HB ASN 21 HB2 ASN 21 21.649 4.783 -17.011 160 2HB ASN 21 HB3 ASN 21 21.594 6.485 -16.570 161 1HD2 ASN 21 HD22 ASN 21 23.715 7.167 -16.824 162 2HD2 ASN 21 HD21 ASN 21 25.073 6.421 -16.025 163 H GLU 22 H GLU 22 22.904 5.091 -13.376 164 HA GLU 22 HA GLU 22 21.763 6.328 -11.107 165 1HB GLU 22 HB2 GLU 22 24.700 6.139 -11.911 166 2HB GLU 22 HB3 GLU 22 24.085 6.486 -10.275 167 1HG GLU 22 HG2 GLU 22 22.888 4.338 -10.276 168 2HG GLU 22 HG3 GLU 22 23.554 3.978 -11.886 169 H MET 23 H MET 23 23.245 7.740 -13.906 170 HA MET 23 HA MET 23 23.824 10.338 -12.971 171 1HB MET 23 HB2 MET 23 24.445 9.412 -15.186 172 2HB MET 23 HB3 MET 23 22.771 9.533 -15.719 173 1HG MET 23 HG2 MET 23 24.462 11.885 -14.780 174 2HG MET 23 HG3 MET 23 24.376 11.367 -16.454 175 1HE MET 23 HE1 MET 23 22.371 11.733 -18.083 176 2HE MET 23 HE2 MET 23 21.318 10.751 -17.040 177 3HE MET 23 HE3 MET 23 20.781 12.351 -17.586 178 H MET 24 H MET 24 20.720 9.011 -14.167 179 HA MET 24 HA MET 24 19.285 11.464 -14.157 180 1HB MET 24 HB2 MET 24 18.278 8.584 -13.841 181 2HB MET 24 HB3 MET 24 17.244 9.995 -14.028 182 1HG MET 24 HG2 MET 24 17.382 9.006 -16.127 183 2HG MET 24 HG3 MET 24 18.363 10.473 -16.218 184 1HE MET 24 HE1 MET 24 19.204 9.491 -18.582 185 2HE MET 24 HE2 MET 24 19.993 7.907 -18.757 186 3HE MET 24 HE3 MET 24 18.270 7.996 -18.333 187 H LEU 25 H LEU 25 19.433 8.848 -11.728 188 HA LEU 25 HA LEU 25 17.705 10.303 -9.920 189 1HB LEU 25 HB2 LEU 25 19.546 7.945 -9.378 190 2HB LEU 25 HB3 LEU 25 18.343 8.575 -8.253 191 HG LEU 25 HG LEU 25 17.847 7.218 -10.931 192 1HD1 LEU 25 HD11 LEU 25 18.350 5.719 -9.054 193 2HD1 LEU 25 HD12 LEU 25 17.092 6.493 -8.067 194 3HD1 LEU 25 HD13 LEU 25 16.652 5.571 -9.521 195 1HD2 LEU 25 HD21 LEU 25 15.394 7.449 -10.331 196 2HD2 LEU 25 HD22 LEU 25 15.870 8.655 -9.113 197 3HD2 LEU 25 HD23 LEU 25 16.179 8.941 -10.845 198 H SER 26 H SER 26 21.263 10.115 -10.315 199 HA SER 26 HA SER 26 21.868 11.441 -7.843 200 1HB SER 26 HB2 SER 26 23.420 11.507 -10.470 201 2HB SER 26 HB3 SER 26 24.033 11.956 -8.868 202 HG SER 26 HG SER 26 23.213 9.421 -9.821 203 H MET 27 H MET 27 21.269 12.632 -11.178 204 HA MET 27 HA MET 27 21.580 15.385 -10.639 205 1HB MET 27 HB2 MET 27 21.514 14.409 -12.883 206 2HB MET 27 HB3 MET 27 19.825 13.933 -12.663 207 1HG MET 27 HG2 MET 27 19.140 16.268 -12.531 208 2HG MET 27 HG3 MET 27 20.827 16.792 -12.577 209 1HE MET 27 HE1 MET 27 19.125 13.932 -14.865 210 2HE MET 27 HE2 MET 27 17.861 15.147 -14.557 211 3HE MET 27 HE3 MET 27 18.538 14.954 -16.189 212 H LEU 28 H LEU 28 18.669 13.265 -10.319 213 HA LEU 28 HA LEU 28 16.964 15.458 -9.550 214 1HB LEU 28 HB2 LEU 28 16.680 12.453 -9.199 215 2HB LEU 28 HB3 LEU 28 15.433 13.607 -8.735 216 HG LEU 28 HG LEU 28 16.500 13.280 -11.567 217 1HD1 LEU 28 HD11 LEU 28 13.857 12.378 -10.355 218 2HD1 LEU 28 HD12 LEU 28 14.368 12.185 -12.048 219 3HD1 LEU 28 HD13 LEU 28 15.220 11.310 -10.769 220 1HD2 LEU 28 HD21 LEU 28 14.518 14.632 -12.215 221 2HD2 LEU 28 HD22 LEU 28 14.178 14.935 -10.496 222 3HD2 LEU 28 HD23 LEU 28 15.664 15.554 -11.255 223 H PHE 29 H PHE 29 18.509 12.894 -7.536 224 HA PHE 29 HA PHE 29 17.348 14.113 -5.175 225 1HB PHE 29 HB2 PHE 29 19.196 11.748 -5.611 226 2HB PHE 29 HB3 PHE 29 18.756 12.350 -4.015 227 HD1 PHE 29 HD1 PHE 29 17.154 10.996 -7.152 228 HD2 PHE 29 HD2 PHE 29 16.814 11.734 -2.922 229 HE1 PHE 29 HE1 PHE 29 15.057 9.690 -7.085 230 HE2 PHE 29 HE2 PHE 29 14.708 10.435 -2.862 231 HZ PHE 29 HZ PHE 29 13.825 9.429 -4.956 232 H ASN 30 H ASN 30 20.583 14.415 -6.710 233 HA ASN 30 HA ASN 30 21.910 15.295 -4.377 234 1HB ASN 30 HB2 ASN 30 23.090 14.572 -6.358 235 2HB ASN 30 HB3 ASN 30 22.509 15.990 -7.253 236 1HD2 ASN 30 HD22 ASN 30 24.160 17.497 -7.458 237 2HD2 ASN 30 HD21 ASN 30 25.343 17.846 -6.228 238 H GLN 31 H GLN 31 19.413 16.896 -6.093 239 HA GLN 31 HA GLN 31 20.027 19.622 -5.643 240 1HB GLN 31 HB2 GLN 31 17.361 18.145 -5.638 241 2HB GLN 31 HB3 GLN 31 17.536 19.903 -5.647 242 1HG GLN 31 HG2 GLN 31 18.749 19.798 -7.805 243 2HG GLN 31 HG3 GLN 31 18.569 18.042 -7.832 244 1HE2 GLN 31 HE22 GLN 31 16.268 17.191 -7.719 245 2HE2 GLN 31 HE21 GLN 31 15.019 18.106 -8.558 246 H PHE 32 H PHE 32 19.006 17.032 -3.403 247 HA PHE 32 HA PHE 32 18.338 18.950 -1.287 248 1HB PHE 32 HB2 PHE 32 18.604 15.933 -1.106 249 2HB PHE 32 HB3 PHE 32 17.802 16.998 0.039 250 HD1 PHE 32 HD1 PHE 32 15.861 18.564 -1.137 251 HD2 PHE 32 HD2 PHE 32 17.256 14.767 -2.623 252 HE1 PHE 32 HE1 PHE 32 13.836 18.362 -2.559 253 HE2 PHE 32 HE2 PHE 32 15.243 14.571 -4.033 254 HZ PHE 32 HZ PHE 32 13.554 16.381 -4.050 255 HA PRO 33 HA PRO 33 22.613 19.095 -0.090 256 1HB PRO 33 HB2 PRO 33 22.490 20.460 2.276 257 2HB PRO 33 HB3 PRO 33 21.991 21.174 0.721 258 1HG PRO 33 HG2 PRO 33 20.207 19.853 2.793 259 2HG PRO 33 HG3 PRO 33 20.017 21.472 2.045 260 1HD PRO 33 HD2 PRO 33 18.713 19.277 1.083 261 2HD PRO 33 HD3 PRO 33 19.337 20.552 -0.009 262 H GLY 34 H GLY 34 21.340 16.526 0.441 263 1HA GLY 34 HA2 GLY 34 23.031 15.545 2.668 264 2HA GLY 34 HA3 GLY 34 21.284 15.237 2.721 265 H PHE 35 H PHE 35 21.892 15.110 -0.566 266 HA PHE 35 HA PHE 35 21.698 12.300 -0.780 267 1HB PHE 35 HB2 PHE 35 21.012 13.802 -2.529 268 2HB PHE 35 HB3 PHE 35 22.590 14.590 -2.543 269 HD1 PHE 35 HD1 PHE 35 24.518 13.617 -3.693 270 HD2 PHE 35 HD2 PHE 35 20.700 11.611 -3.663 271 HE1 PHE 35 HE1 PHE 35 25.254 12.157 -5.571 272 HE2 PHE 35 HE2 PHE 35 21.409 10.236 -5.587 273 HZ PHE 35 HZ PHE 35 23.686 10.506 -6.531 274 H LYS 36 H LYS 36 23.259 10.817 -1.377 275 HA LYS 36 HA LYS 36 26.107 11.616 -1.100 276 1HB LYS 36 HB2 LYS 36 24.782 10.517 1.000 277 2HB LYS 36 HB3 LYS 36 25.302 9.036 0.185 278 1HG LYS 36 HG2 LYS 36 27.659 9.875 0.270 279 2HG LYS 36 HG3 LYS 36 27.085 11.399 0.962 280 1HD LYS 36 HD2 LYS 36 28.028 10.004 2.725 281 2HD LYS 36 HD3 LYS 36 26.309 10.288 2.978 282 1HE LYS 36 HE2 LYS 36 26.793 7.975 3.509 283 2HE LYS 36 HE3 LYS 36 25.785 8.045 2.069 284 1HZ LYS 36 HZ1 LYS 36 27.414 6.518 1.553 285 2HZ LYS 36 HZ2 LYS 36 27.990 7.844 0.812 286 3HZ LYS 36 HZ3 LYS 36 28.651 7.375 2.238 287 H GLU 37 H GLU 37 23.836 8.971 -2.228 288 HA GLU 37 HA GLU 37 25.517 8.630 -4.574 289 1HB GLU 37 HB2 GLU 37 26.058 7.030 -2.188 290 2HB GLU 37 HB3 GLU 37 25.442 5.965 -3.425 291 1HG GLU 37 HG2 GLU 37 27.793 7.865 -3.827 292 2HG GLU 37 HG3 GLU 37 27.924 6.187 -3.337 293 H VAL 38 H VAL 38 24.755 6.694 -5.905 294 HA VAL 38 HA VAL 38 21.969 5.800 -5.398 295 HB VAL 38 HB VAL 38 23.156 6.638 -8.083 296 1HG1 VAL 38 HG11 VAL 38 20.337 5.652 -7.446 297 2HG1 VAL 38 HG12 VAL 38 20.903 6.260 -9.014 298 3HG1 VAL 38 HG13 VAL 38 21.559 4.768 -8.390 299 1HG2 VAL 38 HG21 VAL 38 21.435 8.398 -8.113 300 2HG2 VAL 38 HG22 VAL 38 20.923 7.939 -6.470 301 3HG2 VAL 38 HG23 VAL 38 22.544 8.604 -6.774 302 H ARG 39 H ARG 39 21.610 3.641 -6.203 303 HA ARG 39 HA ARG 39 23.868 2.198 -7.447 304 1HB ARG 39 HB2 ARG 39 24.130 1.703 -5.108 305 2HB ARG 39 HB3 ARG 39 22.439 1.297 -4.918 306 1HG ARG 39 HG2 ARG 39 24.180 -0.289 -6.843 307 2HG ARG 39 HG3 ARG 39 24.285 -0.547 -5.102 308 1HD ARG 39 HD2 ARG 39 21.751 -0.891 -5.101 309 2HD ARG 39 HD3 ARG 39 21.846 -1.026 -6.853 310 HE ARG 39 HE ARG 39 22.759 -2.899 -4.806 311 1HH1 ARG 39 HH11 ARG 39 22.930 -2.140 -8.293 312 2HH1 ARG 39 HH12 ARG 39 23.668 -3.652 -8.696 313 1HH2 ARG 39 HH21 ARG 39 23.624 -4.924 -5.391 314 2HH2 ARG 39 HH22 ARG 39 23.990 -5.288 -7.031 315 H LEU 40 H LEU 40 22.894 1.991 -9.396 316 HA LEU 40 HA LEU 40 20.022 1.429 -9.698 317 1HB LEU 40 HB2 LEU 40 22.253 2.231 -11.415 318 2HB LEU 40 HB3 LEU 40 21.549 0.795 -12.069 319 HG LEU 40 HG LEU 40 20.597 2.788 -13.057 320 1HD1 LEU 40 HD11 LEU 40 18.487 1.367 -11.383 321 2HD1 LEU 40 HD12 LEU 40 18.248 2.242 -12.899 322 3HD1 LEU 40 HD13 LEU 40 19.218 0.766 -12.899 323 1HD2 LEU 40 HD21 LEU 40 19.189 4.363 -11.855 324 2HD2 LEU 40 HD22 LEU 40 19.470 3.518 -10.323 325 3HD2 LEU 40 HD23 LEU 40 20.805 4.335 -11.147 326 H VAL 41 H VAL 41 19.482 -0.503 -11.087 327 HA VAL 41 HA VAL 41 21.124 -2.912 -10.457 328 HB VAL 41 HB VAL 41 18.101 -2.794 -10.642 329 1HG1 VAL 41 HG11 VAL 41 19.057 -4.942 -11.395 330 2HG1 VAL 41 HG12 VAL 41 20.032 -5.048 -9.910 331 3HG1 VAL 41 HG13 VAL 41 18.265 -5.149 -9.835 332 1HG2 VAL 41 HG21 VAL 41 19.915 -3.065 -8.200 333 2HG2 VAL 41 HG22 VAL 41 18.753 -1.759 -8.530 334 3HG2 VAL 41 HG23 VAL 41 18.169 -3.387 -8.198 335 HA PRO 42 HA PRO 42 20.941 -1.663 -14.829 336 1HB PRO 42 HB2 PRO 42 23.540 -2.134 -15.606 337 2HB PRO 42 HB3 PRO 42 23.065 -0.755 -14.577 338 1HG PRO 42 HG2 PRO 42 24.088 -3.468 -13.664 339 2HG PRO 42 HG3 PRO 42 24.722 -1.846 -13.219 340 1HD PRO 42 HD2 PRO 42 22.955 -3.143 -11.628 341 2HD PRO 42 HD3 PRO 42 22.834 -1.374 -11.881 342 H ASN 43 H ASN 43 20.106 -4.193 -13.813 343 HA ASN 43 HA ASN 43 20.097 -5.665 -16.306 344 1HB ASN 43 HB2 ASN 43 20.145 -7.837 -15.259 345 2HB ASN 43 HB3 ASN 43 21.585 -6.954 -14.781 346 1HD2 ASN 43 HD21 ASN 43 21.931 -6.584 -12.541 347 2HD2 ASN 43 HD22 ASN 43 20.806 -7.096 -11.311 348 H ARG 44 H ARG 44 18.359 -3.971 -13.936 349 HA ARG 44 HA ARG 44 15.849 -5.045 -15.114 350 1HB ARG 44 HB2 ARG 44 16.570 -4.777 -12.207 351 2HB ARG 44 HB3 ARG 44 14.988 -4.199 -12.694 352 1HG ARG 44 HG2 ARG 44 14.579 -6.438 -13.833 353 2HG ARG 44 HG3 ARG 44 16.090 -7.002 -13.108 354 1HD ARG 44 HD2 ARG 44 14.217 -7.722 -11.757 355 2HD ARG 44 HD3 ARG 44 15.149 -6.522 -10.843 356 HE ARG 44 HE ARG 44 13.237 -4.982 -12.081 357 1HH1 ARG 44 HH21 ARG 44 13.015 -7.843 -9.974 358 2HH1 ARG 44 HH22 ARG 44 11.483 -7.398 -9.319 359 1HH2 ARG 44 HH11 ARG 44 11.243 -4.397 -11.249 360 2HH2 ARG 44 HH12 ARG 44 10.438 -5.393 -10.073 361 H HIS 45 H HIS 45 17.535 -2.303 -13.619 362 HA HIS 45 HA HIS 45 17.379 -0.140 -13.719 363 1HB HIS 45 HB2 HIS 45 15.937 -0.525 -16.358 364 2HB HIS 45 HB3 HIS 45 16.594 0.989 -15.760 365 HD1 HIS 45 HD1 HIS 45 19.159 1.418 -16.173 366 HD2 HIS 45 HD2 HIS 45 17.810 -2.481 -17.031 367 HE1 HIS 45 HE1 HIS 45 21.086 0.227 -17.341 368 H ASP 46 H ASP 46 14.250 -1.762 -13.838 369 HA ASP 46 HA ASP 46 12.688 0.615 -13.439 370 1HB ASP 46 HB2 ASP 46 10.829 -0.759 -13.392 371 2HB ASP 46 HB3 ASP 46 11.918 -1.556 -14.521 372 H ILE 47 H ILE 47 14.717 -1.059 -11.310 373 HA ILE 47 HA ILE 47 13.526 0.371 -9.065 374 HB ILE 47 HB ILE 47 13.641 -1.338 -7.531 375 1HG1 ILE 47 HG12 ILE 47 15.839 -2.258 -7.972 376 2HG1 ILE 47 HG13 ILE 47 14.630 -3.492 -7.675 377 1HG2 ILE 47 HG21 ILE 47 11.747 -1.626 -9.108 378 2HG2 ILE 47 HG22 ILE 47 12.683 -2.826 -9.992 379 3HG2 ILE 47 HG23 ILE 47 12.230 -3.136 -8.304 380 1HD1 ILE 47 HD11 ILE 47 16.195 -4.158 -9.398 381 2HD1 ILE 47 HD12 ILE 47 14.556 -4.055 -10.049 382 3HD1 ILE 47 HD13 ILE 47 15.735 -2.772 -10.412 383 H ALA 48 H ALA 48 15.141 0.844 -7.378 384 HA ALA 48 HA ALA 48 17.982 0.563 -7.986 385 1HB ALA 48 HB1 ALA 48 16.689 3.335 -8.027 386 2HB ALA 48 HB2 ALA 48 18.418 2.981 -8.191 387 3HB ALA 48 HB3 ALA 48 17.301 2.493 -9.475 388 H PHE 49 H PHE 49 19.212 2.024 -6.329 389 HA PHE 49 HA PHE 49 17.652 2.453 -3.858 390 1HB PHE 49 HB2 PHE 49 20.466 1.322 -4.081 391 2HB PHE 49 HB3 PHE 49 19.711 1.825 -2.587 392 HD1 PHE 49 HD1 PHE 49 19.284 -0.612 -5.443 393 HD2 PHE 49 HD2 PHE 49 18.575 0.253 -1.272 394 HE1 PHE 49 HE1 PHE 49 18.385 -2.898 -5.138 395 HE2 PHE 49 HE2 PHE 49 17.733 -2.069 -0.951 396 HZ PHE 49 HZ PHE 49 17.642 -3.645 -2.874 397 H VAL 50 H VAL 50 18.459 4.254 -2.619 398 HA VAL 50 HA VAL 50 20.477 6.016 -3.900 399 HB VAL 50 HB VAL 50 17.785 6.981 -2.844 400 1HG1 VAL 50 HG11 VAL 50 20.016 8.469 -4.297 401 2HG1 VAL 50 HG12 VAL 50 18.438 9.147 -3.848 402 3HG1 VAL 50 HG13 VAL 50 19.578 8.655 -2.591 403 1HG2 VAL 50 HG21 VAL 50 17.432 5.834 -5.002 404 2HG2 VAL 50 HG22 VAL 50 17.204 7.575 -5.162 405 3HG2 VAL 50 HG23 VAL 50 18.707 6.814 -5.745 406 H GLU 51 H GLU 51 21.611 7.299 -2.282 407 HA GLU 51 HA GLU 51 21.267 6.346 0.520 408 1HB GLU 51 HB2 GLU 51 22.881 4.928 -0.656 409 2HB GLU 51 HB3 GLU 51 23.794 6.348 -1.187 410 1HG GLU 51 HG2 GLU 51 24.374 6.917 1.085 411 2HG GLU 51 HG3 GLU 51 23.319 5.660 1.742 412 H PHE 52 H PHE 52 21.859 7.801 2.063 413 HA PHE 52 HA PHE 52 22.425 10.603 1.243 414 1HB PHE 52 HB2 PHE 52 20.083 9.354 2.652 415 2HB PHE 52 HB3 PHE 52 20.643 10.878 3.278 416 HD1 PHE 52 HD1 PHE 52 19.893 12.878 2.393 417 HD2 PHE 52 HD2 PHE 52 19.636 9.311 -0.010 418 HE1 PHE 52 HE1 PHE 52 18.743 14.164 0.613 419 HE2 PHE 52 HE2 PHE 52 18.525 10.607 -1.801 420 HZ PHE 52 HZ PHE 52 18.117 13.042 -1.511 421 H THR 53 H THR 53 22.908 11.944 3.082 422 HA THR 53 HA THR 53 24.904 10.966 4.906 423 HB THR 53 HB THR 53 23.302 13.557 4.681 424 HG1 THR 53 HG1 THR 53 24.604 13.196 2.921 425 1HG2 THR 53 HG21 THR 53 25.141 14.589 6.022 426 2HG2 THR 53 HG22 THR 53 24.130 13.460 6.935 427 3HG2 THR 53 HG23 THR 53 25.744 12.950 6.390 428 H THR 54 H THR 54 21.449 12.036 5.338 429 HA THR 54 HA THR 54 21.411 10.652 7.952 430 HB THR 54 HB THR 54 20.017 12.928 8.474 431 HG1 THR 54 HG1 THR 54 21.234 14.668 7.721 432 1HG2 THR 54 HG21 THR 54 23.024 12.594 8.756 433 2HG2 THR 54 HG22 THR 54 22.010 13.745 9.659 434 3HG2 THR 54 HG23 THR 54 21.779 12.004 9.876 435 H GLU 55 H GLU 55 19.497 10.129 8.725 436 HA GLU 55 HA GLU 55 17.716 8.955 6.876 437 1HB GLU 55 HB2 GLU 55 17.092 9.459 9.816 438 2HB GLU 55 HB3 GLU 55 16.485 8.189 8.768 439 1HG GLU 55 HG2 GLU 55 17.998 6.959 9.907 440 2HG GLU 55 HG3 GLU 55 19.061 7.501 8.620 441 H LEU 56 H LEU 56 17.506 11.991 8.678 442 HA LEU 56 HA LEU 56 14.732 12.533 8.064 443 1HB LEU 56 HB2 LEU 56 17.092 14.197 9.016 444 2HB LEU 56 HB3 LEU 56 15.604 14.975 8.512 445 HG LEU 56 HG LEU 56 15.698 14.762 10.915 446 1HD1 LEU 56 HD11 LEU 56 13.492 13.881 11.334 447 2HD1 LEU 56 HD12 LEU 56 13.490 14.701 9.766 448 3HD1 LEU 56 HD13 LEU 56 13.516 12.924 9.844 449 1HD2 LEU 56 HD21 LEU 56 17.032 12.675 11.100 450 2HD2 LEU 56 HD22 LEU 56 15.580 12.660 12.109 451 3HD2 LEU 56 HD23 LEU 56 15.604 11.735 10.599 452 H GLN 57 H GLN 57 17.844 13.148 6.402 453 HA GLN 57 HA GLN 57 16.568 14.976 4.516 454 1HB GLN 57 HB2 GLN 57 19.358 13.754 4.523 455 2HB GLN 57 HB3 GLN 57 18.750 14.969 3.380 456 1HG GLN 57 HG2 GLN 57 18.155 16.382 5.481 457 2HG GLN 57 HG3 GLN 57 19.203 15.272 6.368 458 1HE2 GLN 57 HE22 GLN 57 21.525 15.184 5.711 459 2HE2 GLN 57 HE21 GLN 57 22.229 16.557 4.857 460 H SER 58 H SER 58 17.572 11.472 4.472 461 HA SER 58 HA SER 58 16.721 11.057 1.768 462 1HB SER 58 HB2 SER 58 16.328 8.678 2.611 463 2HB SER 58 HB3 SER 58 17.968 9.306 2.732 464 HG SER 58 HG SER 58 16.846 8.217 4.654 465 H ASN 59 H ASN 59 14.925 10.926 4.932 466 HA ASN 59 HA ASN 59 12.451 10.240 3.782 467 1HB ASN 59 HB2 ASN 59 12.825 10.245 6.230 468 2HB ASN 59 HB3 ASN 59 12.885 12.007 6.211 469 1HD2 ASN 59 HD22 ASN 59 10.944 12.760 7.082 470 2HD2 ASN 59 HD21 ASN 59 9.371 12.147 6.648 471 H ALA 60 H ALA 60 13.797 13.528 4.313 472 HA ALA 60 HA ALA 60 11.564 14.934 3.263 473 1HB ALA 60 HB1 ALA 60 13.120 16.807 2.961 474 2HB ALA 60 HB2 ALA 60 13.386 16.017 4.528 475 3HB ALA 60 HB3 ALA 60 14.508 15.720 3.175 476 H ALA 61 H ALA 61 14.436 13.641 1.576 477 HA ALA 61 HA ALA 61 13.713 14.599 -1.019 478 1HB ALA 61 HB1 ALA 61 15.338 12.125 -0.272 479 2HB ALA 61 HB2 ALA 61 15.297 12.959 -1.839 480 3HB ALA 61 HB3 ALA 61 15.973 13.782 -0.415 481 H LYS 62 H LYS 62 12.977 11.549 0.706 482 HA LYS 62 HA LYS 62 11.528 10.243 -1.338 483 1HB LYS 62 HB2 LYS 62 12.096 8.899 0.469 484 2HB LYS 62 HB3 LYS 62 11.679 10.113 1.651 485 1HG LYS 62 HG2 LYS 62 9.283 9.735 1.298 486 2HG LYS 62 HG3 LYS 62 9.647 8.468 0.112 487 1HD LYS 62 HD2 LYS 62 10.567 7.037 1.750 488 2HD LYS 62 HD3 LYS 62 10.864 8.341 2.899 489 1HE LYS 62 HE2 LYS 62 8.070 7.434 2.093 490 2HE LYS 62 HE3 LYS 62 8.960 6.792 3.484 491 1HZ LYS 62 HZ1 LYS 62 9.094 9.186 4.274 492 2HZ LYS 62 HZ2 LYS 62 7.983 9.569 3.126 493 3HZ LYS 62 HZ3 LYS 62 7.599 8.507 4.295 494 H GLU 63 H GLU 63 10.284 12.450 1.279 495 HA GLU 63 HA GLU 63 7.623 12.416 0.307 496 1HB GLU 63 HB2 GLU 63 9.122 14.609 1.816 497 2HB GLU 63 HB3 GLU 63 7.381 14.595 1.551 498 1HG GLU 63 HG2 GLU 63 8.958 12.555 3.163 499 2HG GLU 63 HG3 GLU 63 7.928 13.820 3.797 500 H ALA 64 H ALA 64 10.383 14.425 -0.636 501 HA ALA 64 HA ALA 64 8.931 16.277 -2.236 502 1HB ALA 64 HB1 ALA 64 11.845 15.418 -2.391 503 2HB ALA 64 HB2 ALA 64 11.152 16.911 -3.057 504 3HB ALA 64 HB3 ALA 64 11.194 16.659 -1.295 505 H LEU 65 H LEU 65 10.492 13.138 -3.081 506 HA LEU 65 HA LEU 65 9.701 13.590 -5.926 507 1HB LEU 65 HB2 LEU 65 11.968 11.994 -4.698 508 2HB LEU 65 HB3 LEU 65 11.543 11.942 -6.401 509 HG LEU 65 HG LEU 65 12.472 14.425 -4.912 510 1HD1 LEU 65 HD11 LEU 65 13.853 12.667 -6.987 511 2HD1 LEU 65 HD12 LEU 65 14.502 14.180 -6.316 512 3HD1 LEU 65 HD13 LEU 65 14.252 12.779 -5.266 513 1HD2 LEU 65 HD21 LEU 65 10.986 15.110 -6.746 514 2HD2 LEU 65 HD22 LEU 65 12.655 15.445 -7.185 515 3HD2 LEU 65 HD23 LEU 65 11.836 14.028 -7.872 516 H GLN 66 H GLN 66 8.601 11.715 -3.341 517 HA GLN 66 HA GLN 66 7.893 9.310 -4.685 518 1HB GLN 66 HB2 GLN 66 6.671 10.972 -2.473 519 2HB GLN 66 HB3 GLN 66 5.710 9.669 -3.164 520 1HG GLN 66 HG2 GLN 66 8.538 9.003 -2.362 521 2HG GLN 66 HG3 GLN 66 7.357 9.269 -1.083 522 1HE2 GLN 66 HE22 GLN 66 6.660 7.299 -0.354 523 2HE2 GLN 66 HE21 GLN 66 6.442 5.889 -1.356 524 H GLY 67 H GLY 67 6.762 8.967 -6.503 525 1HA GLY 67 HA2 GLY 67 5.032 9.092 -7.986 526 2HA GLY 67 HA3 GLY 67 4.385 10.523 -7.174 527 H PHE 68 H PHE 68 7.754 10.906 -7.898 528 HA PHE 68 HA PHE 68 7.115 13.040 -9.767 529 1HB PHE 68 HB2 PHE 68 8.888 13.245 -8.085 530 2HB PHE 68 HB3 PHE 68 9.749 11.884 -8.792 531 HD1 PHE 68 HD1 PHE 68 11.036 12.128 -10.866 532 HD2 PHE 68 HD2 PHE 68 8.830 15.447 -9.207 533 HE1 PHE 68 HE1 PHE 68 12.260 13.690 -12.349 534 HE2 PHE 68 HE2 PHE 68 10.070 17.005 -10.688 535 HZ PHE 68 HZ PHE 68 11.790 16.131 -12.259 536 H LYS 69 H LYS 69 6.979 12.830 -11.937 537 HA LYS 69 HA LYS 69 7.535 10.368 -13.369 538 1HB LYS 69 HB2 LYS 69 6.602 13.123 -14.113 539 2HB LYS 69 HB3 LYS 69 7.566 12.290 -15.328 540 1HG LYS 69 HG2 LYS 69 5.347 11.773 -15.839 541 2HG LYS 69 HG3 LYS 69 6.092 10.317 -15.196 542 1HD LYS 69 HD2 LYS 69 5.070 10.867 -12.943 543 2HD LYS 69 HD3 LYS 69 4.143 12.147 -13.731 544 1HE LYS 69 HE2 LYS 69 4.140 9.207 -14.575 545 2HE LYS 69 HE3 LYS 69 2.964 9.903 -13.445 546 1HZ LYS 69 HZ1 LYS 69 2.336 11.458 -15.286 547 2HZ LYS 69 HZ2 LYS 69 3.253 10.546 -16.315 548 3HZ LYS 69 HZ3 LYS 69 1.971 9.895 -15.562 549 H ILE 70 H ILE 70 9.526 9.596 -13.526 550 HA ILE 70 HA ILE 70 11.885 11.375 -13.808 551 HB ILE 70 HB ILE 70 11.572 8.379 -14.161 552 1HG1 ILE 70 HG12 ILE 70 12.867 9.993 -11.913 553 2HG1 ILE 70 HG13 ILE 70 11.251 9.290 -11.812 554 1HG2 ILE 70 HG21 ILE 70 14.063 8.355 -14.172 555 2HG2 ILE 70 HG22 ILE 70 13.466 9.335 -15.500 556 3HG2 ILE 70 HG23 ILE 70 14.084 10.125 -14.035 557 1HD1 ILE 70 HD11 ILE 70 13.805 7.670 -12.169 558 2HD1 ILE 70 HD12 ILE 70 12.897 7.885 -10.683 559 3HD1 ILE 70 HD13 ILE 70 12.143 7.041 -12.056 560 H THR 71 H THR 71 9.763 9.222 -15.799 561 HA THR 71 HA THR 71 10.120 11.055 -18.061 562 HB THR 71 HB THR 71 10.029 9.084 -19.615 563 HG1 THR 71 HG1 THR 71 10.749 7.091 -18.737 564 1HG2 THR 71 HG21 THR 71 12.387 8.499 -19.516 565 2HG2 THR 71 HG22 THR 71 12.203 10.212 -19.110 566 3HG2 THR 71 HG23 THR 71 12.493 9.022 -17.824 567 HA PRO 72 HA PRO 72 5.954 11.566 -18.104 568 1HB PRO 72 HB2 PRO 72 5.622 10.104 -20.734 569 2HB PRO 72 HB3 PRO 72 4.876 11.649 -20.207 570 1HG PRO 72 HG2 PRO 72 7.086 11.707 -21.751 571 2HG PRO 72 HG3 PRO 72 6.985 12.788 -20.321 572 1HD PRO 72 HD2 PRO 72 8.452 10.171 -20.612 573 2HD PRO 72 HD3 PRO 72 8.978 11.680 -19.807 574 H THR 73 H THR 73 6.677 8.131 -18.540 575 HA THR 73 HA THR 73 4.021 7.418 -17.435 576 HB THR 73 HB THR 73 4.529 5.234 -18.743 577 HG1 THR 73 HG1 THR 73 6.028 5.429 -20.381 578 1HG2 THR 73 HG21 THR 73 3.701 6.148 -20.855 579 2HG2 THR 73 HG22 THR 73 2.871 6.929 -19.501 580 3HG2 THR 73 HG23 THR 73 4.158 7.795 -20.367 581 H HIS 74 H HIS 74 6.909 7.928 -16.189 582 HA HIS 74 HA HIS 74 6.893 5.465 -14.508 583 1HB HIS 74 HB2 HIS 74 9.331 6.788 -15.729 584 2HB HIS 74 HB3 HIS 74 9.320 5.464 -14.558 585 HD1 HIS 74 HD1 HIS 74 8.930 6.103 -18.240 586 HD2 HIS 74 HD2 HIS 74 8.294 3.035 -15.435 587 HE1 HIS 74 HE1 HIS 74 8.583 3.956 -19.591 588 H ALA 75 H ALA 75 5.555 6.913 -13.264 589 HA ALA 75 HA ALA 75 6.751 9.091 -11.738 590 1HB ALA 75 HB1 ALA 75 4.338 7.281 -11.223 591 2HB ALA 75 HB2 ALA 75 4.794 8.677 -10.238 592 3HB ALA 75 HB3 ALA 75 4.297 8.912 -11.917 593 H MET 76 H MET 76 8.622 8.533 -10.568 594 HA MET 76 HA MET 76 9.197 5.887 -9.775 595 1HB MET 76 HB2 MET 76 11.026 6.691 -8.612 596 2HB MET 76 HB3 MET 76 10.800 7.866 -9.906 597 1HG MET 76 HG2 MET 76 9.815 9.453 -8.292 598 2HG MET 76 HG3 MET 76 9.915 8.231 -7.016 599 1HE MET 76 HE1 MET 76 13.490 10.610 -8.695 600 2HE MET 76 HE2 MET 76 12.204 9.929 -9.715 601 3HE MET 76 HE3 MET 76 11.839 11.247 -8.588 602 H LYS 77 H LYS 77 9.068 4.788 -7.841 603 HA LYS 77 HA LYS 77 7.315 5.925 -5.696 604 1HB LYS 77 HB2 LYS 77 7.764 3.063 -6.591 605 2HB LYS 77 HB3 LYS 77 7.001 3.515 -5.054 606 1HG LYS 77 HG2 LYS 77 5.255 4.764 -6.419 607 2HG LYS 77 HG3 LYS 77 5.939 3.998 -7.863 608 1HD LYS 77 HD2 LYS 77 4.722 2.605 -5.435 609 2HD LYS 77 HD3 LYS 77 4.006 2.725 -7.047 610 1HE LYS 77 HE2 LYS 77 5.843 1.348 -7.982 611 2HE LYS 77 HE3 LYS 77 6.605 1.257 -6.376 612 1HZ LYS 77 HZ1 LYS 77 5.238 -0.696 -6.990 613 2HZ LYS 77 HZ2 LYS 77 4.894 -0.010 -5.555 614 3HZ LYS 77 HZ3 LYS 77 3.889 0.217 -6.853 615 H ILE 78 H ILE 78 8.147 5.583 -3.610 616 HA ILE 78 HA ILE 78 11.013 4.794 -3.415 617 HB ILE 78 HB ILE 78 9.784 7.213 -2.062 618 1HG1 ILE 78 HG12 ILE 78 11.206 7.168 -4.758 619 2HG1 ILE 78 HG13 ILE 78 9.586 7.734 -4.416 620 1HG2 ILE 78 HG21 ILE 78 12.083 7.897 -1.650 621 2HG2 ILE 78 HG22 ILE 78 11.828 6.292 -1.017 622 3HG2 ILE 78 HG23 ILE 78 12.694 6.505 -2.552 623 1HD1 ILE 78 HD11 ILE 78 10.498 9.617 -3.119 624 2HD1 ILE 78 HD12 ILE 78 12.147 9.092 -3.522 625 3HD1 ILE 78 HD13 ILE 78 11.038 9.602 -4.798 626 H THR 79 H THR 79 11.590 3.919 -1.453 627 HA THR 79 HA THR 79 9.761 3.765 0.822 628 HB THR 79 HB THR 79 10.760 1.148 0.602 629 HG1 THR 79 HG1 THR 79 11.094 1.716 -1.720 630 1HG2 THR 79 HG21 THR 79 8.452 0.476 0.278 631 2HG2 THR 79 HG22 THR 79 8.519 1.827 1.411 632 3HG2 THR 79 HG23 THR 79 8.005 2.113 -0.268 633 H PHE 80 H PHE 80 11.120 2.932 2.765 634 HA PHE 80 HA PHE 80 13.890 3.880 2.537 635 1HB PHE 80 HB2 PHE 80 12.340 2.542 4.788 636 2HB PHE 80 HB3 PHE 80 14.031 3.013 4.895 637 HD1 PHE 80 HD1 PHE 80 14.642 5.488 4.363 638 HD2 PHE 80 HD2 PHE 80 10.653 4.166 5.338 639 HE1 PHE 80 HE1 PHE 80 13.983 7.834 4.835 640 HE2 PHE 80 HE2 PHE 80 10.010 6.502 5.855 641 HZ PHE 80 HZ PHE 80 11.660 8.334 5.583 642 H ALA 81 H ALA 81 15.714 2.531 2.549 643 HA ALA 81 HA ALA 81 15.280 -0.298 1.715 644 1HB ALA 81 HB1 ALA 81 17.832 1.340 1.978 645 2HB ALA 81 HB2 ALA 81 17.722 -0.316 1.356 646 3HB ALA 81 HB3 ALA 81 16.970 1.012 0.460 647 H LYS 82 H LYS 82 16.880 -1.841 3.008 648 HA LYS 82 HA LYS 82 16.739 -1.209 5.911 649 1HB LYS 82 HB2 LYS 82 15.720 -3.789 4.640 650 2HB LYS 82 HB3 LYS 82 15.858 -3.432 6.361 651 1HG LYS 82 HG2 LYS 82 13.673 -2.860 6.166 652 2HG LYS 82 HG3 LYS 82 14.355 -1.301 5.677 653 1HD LYS 82 HD2 LYS 82 14.165 -2.138 3.257 654 2HD LYS 82 HD3 LYS 82 13.297 -3.544 3.895 655 1HE LYS 82 HE2 LYS 82 11.507 -2.170 4.736 656 2HE LYS 82 HE3 LYS 82 12.427 -0.678 4.437 657 1HZ LYS 82 HZ1 LYS 82 12.266 -1.050 2.103 658 2HZ LYS 82 HZ2 LYS 82 11.468 -2.510 2.318 659 3HZ LYS 82 HZ3 LYS 82 10.758 -1.099 2.714 660 H LYS 83 H LYS 83 18.894 -0.706 4.681 661 HA LYS 83 HA LYS 83 21.094 -1.056 4.355 662 1HB LYS 83 HB2 LYS 83 20.952 -3.172 6.515 663 2HB LYS 83 HB3 LYS 83 22.330 -2.178 6.067 664 1HG LYS 83 HG2 LYS 83 19.767 -1.199 7.404 665 2HG LYS 83 HG3 LYS 83 21.295 -1.552 8.212 666 1HD LYS 83 HD2 LYS 83 22.364 0.284 6.808 667 2HD LYS 83 HD3 LYS 83 20.719 0.713 6.269 668 1HE LYS 83 HE2 LYS 83 20.044 0.904 8.699 669 2HE LYS 83 HE3 LYS 83 21.725 0.602 9.152 670 1HZ LYS 83 HZ1 LYS 83 20.678 2.939 7.671 671 2HZ LYS 83 HZ2 LYS 83 21.323 2.927 9.166 672 3HZ LYS 83 HZ3 LYS 83 22.295 2.647 7.886 Start of MODEL 15 1 1H ALA 1 H1 ALA 1 8.946 -5.980 -1.249 2 2H ALA 1 H2 ALA 1 9.782 -7.351 -1.652 3 3H ALA 1 H3 ALA 1 10.031 -6.615 -0.208 4 HA ALA 1 HA ALA 1 11.851 -5.999 -1.472 5 1HB ALA 1 HB1 ALA 1 11.009 -6.645 -3.682 6 2HB ALA 1 HB2 ALA 1 9.896 -5.263 -3.702 7 3HB ALA 1 HB3 ALA 1 11.654 -5.000 -3.710 8 H GLN 2 H GLN 2 9.085 -3.797 -2.327 9 HA GLN 2 HA GLN 2 10.209 -1.522 -1.039 10 1HB GLN 2 HB2 GLN 2 7.324 -2.258 -1.742 11 2HB GLN 2 HB3 GLN 2 7.815 -0.705 -1.102 12 1HG GLN 2 HG2 GLN 2 9.399 -0.506 -3.121 13 2HG GLN 2 HG3 GLN 2 8.515 -1.875 -3.809 14 1HE2 GLN 2 HE22 GLN 2 8.226 1.458 -2.578 15 2HE2 GLN 2 HE21 GLN 2 6.739 1.862 -3.433 16 H THR 3 H THR 3 9.895 -0.661 1.060 17 HA THR 3 HA THR 3 8.110 -2.060 2.917 18 HB THR 3 HB THR 3 10.090 -1.864 4.631 19 HG1 THR 3 HG1 THR 3 11.610 -0.997 3.065 20 1HG2 THR 3 HG21 THR 3 10.168 -4.149 2.637 21 2HG2 THR 3 HG22 THR 3 10.682 -4.164 4.339 22 3HG2 THR 3 HG23 THR 3 8.971 -3.986 3.940 23 H GLU 4 H GLU 4 7.415 -0.764 4.621 24 HA GLU 4 HA GLU 4 7.919 2.157 4.295 25 1HB GLU 4 HB2 GLU 4 5.436 0.624 5.163 26 2HB GLU 4 HB3 GLU 4 5.612 2.387 5.222 27 1HG GLU 4 HG2 GLU 4 5.994 2.448 2.778 28 2HG GLU 4 HG3 GLU 4 5.794 0.696 2.690 29 H GLN 5 H GLN 5 9.835 1.088 5.599 30 HA GLN 5 HA GLN 5 9.551 0.521 8.397 31 1HB GLN 5 HB2 GLN 5 11.908 1.696 6.849 32 2HB GLN 5 HB3 GLN 5 12.004 0.948 8.434 33 1HG GLN 5 HG2 GLN 5 11.262 -0.495 5.857 34 2HG GLN 5 HG3 GLN 5 12.834 -0.488 6.623 35 1HE2 GLN 5 HE22 GLN 5 9.452 -1.656 7.014 36 2HE2 GLN 5 HE21 GLN 5 9.849 -2.869 8.199 37 HA PRO 6 HA PRO 6 9.809 4.788 10.176 38 1HB PRO 6 HB2 PRO 6 12.176 3.579 11.606 39 2HB PRO 6 HB3 PRO 6 10.882 4.629 12.263 40 1HG PRO 6 HG2 PRO 6 10.848 1.956 12.732 41 2HG PRO 6 HG3 PRO 6 9.329 2.814 12.311 42 1HD PRO 6 HD2 PRO 6 11.125 1.182 10.501 43 2HD PRO 6 HD3 PRO 6 9.340 1.158 10.632 44 HA PRO 7 HA PRO 7 12.687 6.494 7.383 45 1HB PRO 7 HB2 PRO 7 13.795 8.197 9.626 46 2HB PRO 7 HB3 PRO 7 13.371 8.680 7.952 47 1HG PRO 7 HG2 PRO 7 11.636 9.154 9.981 48 2HG PRO 7 HG3 PRO 7 11.035 8.517 8.416 49 1HD PRO 7 HD2 PRO 7 11.535 7.012 10.989 50 2HD PRO 7 HD3 PRO 7 10.193 6.854 9.815 51 H ASN 8 H ASN 8 14.665 6.124 6.495 52 HA ASN 8 HA ASN 8 16.957 5.242 8.131 53 1HB ASN 8 HB2 ASN 8 15.823 3.121 7.612 54 2HB ASN 8 HB3 ASN 8 15.631 3.602 5.924 55 1HD2 ASN 8 HD22 ASN 8 16.903 2.124 4.868 56 2HD2 ASN 8 HD21 ASN 8 18.628 1.928 5.156 57 H GLN 9 H GLN 9 18.936 5.523 6.936 58 HA GLN 9 HA GLN 9 18.872 7.801 5.167 59 1HB GLN 9 HB2 GLN 9 21.223 7.811 5.374 60 2HB GLN 9 HB3 GLN 9 20.569 7.414 6.954 61 1HG GLN 9 HG2 GLN 9 21.034 4.998 6.536 62 2HG GLN 9 HG3 GLN 9 21.740 5.414 4.964 63 1HE2 GLN 9 HE22 GLN 9 23.447 7.442 5.283 64 2HE2 GLN 9 HE21 GLN 9 24.637 7.074 6.515 65 H ILE 10 H ILE 10 18.013 4.800 4.238 66 HA ILE 10 HA ILE 10 19.266 5.035 1.584 67 HB ILE 10 HB ILE 10 18.916 2.329 2.912 68 1HG1 ILE 10 HG12 ILE 10 21.477 3.958 2.839 69 2HG1 ILE 10 HG13 ILE 10 20.586 3.435 4.272 70 1HG2 ILE 10 HG21 ILE 10 20.260 1.507 1.053 71 2HG2 ILE 10 HG22 ILE 10 18.970 2.475 0.380 72 3HG2 ILE 10 HG23 ILE 10 20.596 3.166 0.503 73 1HD1 ILE 10 HD11 ILE 10 22.138 1.658 2.369 74 2HD1 ILE 10 HD12 ILE 10 22.476 2.015 4.066 75 3HD1 ILE 10 HD13 ILE 10 21.047 1.049 3.639 76 H LEU 11 H LEU 11 17.834 4.501 -0.021 77 HA LEU 11 HA LEU 11 14.992 4.009 0.739 78 1HB LEU 11 HB2 LEU 11 16.120 5.863 -1.402 79 2HB LEU 11 HB3 LEU 11 14.413 5.582 -1.074 80 HG LEU 11 HG LEU 11 16.378 6.922 0.838 81 1HD1 LEU 11 HD11 LEU 11 15.182 8.988 0.300 82 2HD1 LEU 11 HD12 LEU 11 15.908 8.285 -1.150 83 3HD1 LEU 11 HD13 LEU 11 14.165 8.123 -0.865 84 1HD2 LEU 11 HD21 LEU 11 14.667 5.822 2.122 85 2HD2 LEU 11 HD22 LEU 11 14.264 7.541 2.083 86 3HD2 LEU 11 HD23 LEU 11 13.379 6.406 1.044 87 H PHE 12 H PHE 12 13.842 2.806 -0.782 88 HA PHE 12 HA PHE 12 15.379 1.510 -2.985 89 1HB PHE 12 HB2 PHE 12 14.869 -0.181 -1.279 90 2HB PHE 12 HB3 PHE 12 13.185 0.341 -1.225 91 HD1 PHE 12 HD1 PHE 12 15.745 -0.801 -3.767 92 HD2 PHE 12 HD2 PHE 12 11.621 -0.824 -2.553 93 HE1 PHE 12 HE1 PHE 12 15.241 -2.456 -5.536 94 HE2 PHE 12 HE2 PHE 12 11.120 -2.525 -4.291 95 HZ PHE 12 HZ PHE 12 12.928 -3.342 -5.792 96 H LEU 13 H LEU 13 14.379 1.698 -4.934 97 HA LEU 13 HA LEU 13 11.889 3.336 -5.034 98 1HB LEU 13 HB2 LEU 13 14.574 3.629 -6.447 99 2HB LEU 13 HB3 LEU 13 13.085 4.243 -7.133 100 HG LEU 13 HG LEU 13 12.699 5.651 -5.129 101 1HD1 LEU 13 HD11 LEU 13 13.984 4.745 -3.359 102 2HD1 LEU 13 HD12 LEU 13 15.456 4.632 -4.344 103 3HD1 LEU 13 HD13 LEU 13 14.839 6.213 -3.803 104 1HD2 LEU 13 HD21 LEU 13 15.310 6.063 -6.648 105 2HD2 LEU 13 HD22 LEU 13 13.687 6.486 -7.234 106 3HD2 LEU 13 HD23 LEU 13 14.357 7.320 -5.836 107 H THR 14 H THR 14 10.601 2.987 -6.837 108 HA THR 14 HA THR 14 11.166 0.695 -8.625 109 HB THR 14 HB THR 14 8.890 -0.257 -8.011 110 HG1 THR 14 HG1 THR 14 9.263 1.319 -5.678 111 1HG2 THR 14 HG21 THR 14 9.617 -1.521 -6.108 112 2HG2 THR 14 HG22 THR 14 11.020 -1.287 -7.157 113 3HG2 THR 14 HG23 THR 14 10.852 -0.311 -5.692 114 H ASN 15 H ASN 15 9.221 0.421 -10.170 115 HA ASN 15 HA ASN 15 8.074 1.175 -11.897 116 1HB ASN 15 HB2 ASN 15 6.431 1.742 -10.109 117 2HB ASN 15 HB3 ASN 15 7.068 3.390 -10.087 118 1HD2 ASN 15 HD22 ASN 15 5.693 4.744 -11.187 119 2HD2 ASN 15 HD21 ASN 15 4.724 4.281 -12.585 120 H LEU 16 H LEU 16 10.772 2.002 -11.667 121 HA LEU 16 HA LEU 16 11.020 4.780 -12.588 122 1HB LEU 16 HB2 LEU 16 13.096 2.576 -12.527 123 2HB LEU 16 HB3 LEU 16 13.394 4.306 -12.561 124 HG LEU 16 HG LEU 16 12.252 2.720 -10.227 125 1HD1 LEU 16 HD11 LEU 16 14.335 3.229 -9.125 126 2HD1 LEU 16 HD12 LEU 16 14.652 2.394 -10.661 127 3HD1 LEU 16 HD13 LEU 16 14.910 4.139 -10.546 128 1HD2 LEU 16 HD21 LEU 16 13.062 5.635 -10.135 129 2HD2 LEU 16 HD22 LEU 16 11.376 5.144 -10.451 130 3HD2 LEU 16 HD23 LEU 16 12.137 4.694 -8.950 131 HA PRO 17 HA PRO 17 11.036 4.014 -17.043 132 1HB PRO 17 HB2 PRO 17 13.857 4.977 -17.127 133 2HB PRO 17 HB3 PRO 17 12.456 5.463 -18.116 134 1HG PRO 17 HG2 PRO 17 13.468 6.937 -16.019 135 2HG PRO 17 HG3 PRO 17 11.744 6.989 -16.496 136 1HD PRO 17 HD2 PRO 17 12.961 5.754 -14.115 137 2HD PRO 17 HD3 PRO 17 11.278 6.222 -14.406 138 H GLU 18 H GLU 18 11.713 2.316 -18.424 139 HA GLU 18 HA GLU 18 13.447 0.238 -17.366 140 1HB GLU 18 HB2 GLU 18 12.941 -0.922 -19.438 141 2HB GLU 18 HB3 GLU 18 11.481 -0.297 -18.675 142 1HG GLU 18 HG2 GLU 18 11.489 1.626 -20.284 143 2HG GLU 18 HG3 GLU 18 12.898 0.923 -21.078 144 H GLU 19 H GLU 19 14.323 3.125 -18.255 145 HA GLU 19 HA GLU 19 16.831 2.367 -19.528 146 1HB GLU 19 HB2 GLU 19 15.127 4.827 -20.122 147 2HB GLU 19 HB3 GLU 19 16.685 4.491 -20.862 148 1HG GLU 19 HG2 GLU 19 14.127 2.887 -21.228 149 2HG GLU 19 HG3 GLU 19 14.819 4.023 -22.368 150 H THR 20 H THR 20 15.746 3.239 -16.634 151 HA THR 20 HA THR 20 16.918 5.766 -16.058 152 HB THR 20 HB THR 20 16.605 3.518 -14.030 153 HG1 THR 20 HG1 THR 20 14.636 3.491 -14.937 154 1HG2 THR 20 HG21 THR 20 17.508 5.739 -13.226 155 2HG2 THR 20 HG22 THR 20 16.058 6.529 -13.888 156 3HG2 THR 20 HG23 THR 20 15.914 5.367 -12.555 157 H ASN 21 H ASN 21 18.924 6.269 -15.047 158 HA ASN 21 HA ASN 21 20.991 4.168 -14.998 159 1HB ASN 21 HB2 ASN 21 21.181 5.313 -17.206 160 2HB ASN 21 HB3 ASN 21 21.268 6.872 -16.384 161 1HD2 ASN 21 HD22 ASN 21 23.400 7.340 -17.235 162 2HD2 ASN 21 HD21 ASN 21 24.801 6.470 -16.674 163 H GLU 22 H GLU 22 22.840 4.929 -13.653 164 HA GLU 22 HA GLU 22 22.080 5.899 -11.135 165 1HB GLU 22 HB2 GLU 22 24.112 4.551 -11.818 166 2HB GLU 22 HB3 GLU 22 24.838 6.045 -12.420 167 1HG GLU 22 HG2 GLU 22 24.629 7.000 -10.089 168 2HG GLU 22 HG3 GLU 22 24.015 5.433 -9.551 169 H MET 23 H MET 23 23.330 7.638 -13.942 170 HA MET 23 HA MET 23 23.817 10.135 -12.669 171 1HB MET 23 HB2 MET 23 23.148 9.508 -15.575 172 2HB MET 23 HB3 MET 23 23.757 11.062 -14.996 173 1HG MET 23 HG2 MET 23 25.238 8.409 -14.802 174 2HG MET 23 HG3 MET 23 25.538 9.681 -15.982 175 1HE MET 23 HE1 MET 23 28.112 9.571 -15.389 176 2HE MET 23 HE2 MET 23 28.756 9.737 -13.742 177 3HE MET 23 HE3 MET 23 27.784 8.313 -14.174 178 H MET 24 H MET 24 20.816 8.780 -14.017 179 HA MET 24 HA MET 24 19.402 11.289 -14.198 180 1HB MET 24 HB2 MET 24 18.414 8.411 -13.960 181 2HB MET 24 HB3 MET 24 17.329 9.786 -14.061 182 1HG MET 24 HG2 MET 24 19.443 9.093 -16.113 183 2HG MET 24 HG3 MET 24 17.732 8.672 -16.231 184 1HE MET 24 HE1 MET 24 16.192 11.366 -15.274 185 2HE MET 24 HE2 MET 24 15.980 12.107 -16.871 186 3HE MET 24 HE3 MET 24 15.783 10.352 -16.680 187 H LEU 25 H LEU 25 19.419 8.674 -11.765 188 HA LEU 25 HA LEU 25 17.672 10.174 -10.011 189 1HB LEU 25 HB2 LEU 25 19.476 7.807 -9.379 190 2HB LEU 25 HB3 LEU 25 18.225 8.449 -8.320 191 HG LEU 25 HG LEU 25 17.834 7.074 -11.011 192 1HD1 LEU 25 HD11 LEU 25 17.015 6.353 -8.169 193 2HD1 LEU 25 HD12 LEU 25 16.628 5.421 -9.636 194 3HD1 LEU 25 HD13 LEU 25 18.311 5.596 -9.118 195 1HD2 LEU 25 HD21 LEU 25 16.166 8.796 -10.976 196 2HD2 LEU 25 HD22 LEU 25 15.362 7.306 -10.486 197 3HD2 LEU 25 HD23 LEU 25 15.810 8.514 -9.252 198 H SER 26 H SER 26 21.243 9.888 -10.338 199 HA SER 26 HA SER 26 21.844 11.199 -7.865 200 1HB SER 26 HB2 SER 26 23.430 11.194 -10.468 201 2HB SER 26 HB3 SER 26 24.035 11.661 -8.867 202 HG SER 26 HG SER 26 23.176 9.121 -9.782 203 H MET 27 H MET 27 21.311 12.446 -11.205 204 HA MET 27 HA MET 27 21.654 15.185 -10.630 205 1HB MET 27 HB2 MET 27 21.564 14.284 -12.891 206 2HB MET 27 HB3 MET 27 19.899 13.740 -12.655 207 1HG MET 27 HG2 MET 27 19.157 16.078 -12.424 208 2HG MET 27 HG3 MET 27 20.826 16.622 -12.625 209 1HE MET 27 HE1 MET 27 18.153 14.771 -15.954 210 2HE MET 27 HE2 MET 27 18.796 13.760 -14.646 211 3HE MET 27 HE3 MET 27 17.643 15.065 -14.276 212 H LEU 28 H LEU 28 18.704 13.102 -10.361 213 HA LEU 28 HA LEU 28 17.027 15.313 -9.608 214 1HB LEU 28 HB2 LEU 28 16.688 12.311 -9.272 215 2HB LEU 28 HB3 LEU 28 15.449 13.482 -8.836 216 HG LEU 28 HG LEU 28 16.586 13.171 -11.646 217 1HD1 LEU 28 HD11 LEU 28 15.289 11.188 -10.904 218 2HD1 LEU 28 HD12 LEU 28 13.912 12.249 -10.521 219 3HD1 LEU 28 HD13 LEU 28 14.475 12.076 -12.199 220 1HD2 LEU 28 HD21 LEU 28 14.613 14.526 -12.323 221 2HD2 LEU 28 HD22 LEU 28 14.236 14.809 -10.609 222 3HD2 LEU 28 HD23 LEU 28 15.738 15.438 -11.327 223 H PHE 29 H PHE 29 18.480 12.723 -7.573 224 HA PHE 29 HA PHE 29 17.327 13.976 -5.217 225 1HB PHE 29 HB2 PHE 29 19.134 11.570 -5.635 226 2HB PHE 29 HB3 PHE 29 18.692 12.172 -4.043 227 HD1 PHE 29 HD1 PHE 29 16.689 11.689 -2.986 228 HD2 PHE 29 HD2 PHE 29 17.167 10.741 -7.157 229 HE1 PHE 29 HE1 PHE 29 14.575 10.405 -2.926 230 HE2 PHE 29 HE2 PHE 29 15.074 9.436 -7.090 231 HZ PHE 29 HZ PHE 29 13.762 9.285 -4.987 232 H ASN 30 H ASN 30 20.599 14.182 -6.706 233 HA ASN 30 HA ASN 30 21.893 15.028 -4.326 234 1HB ASN 30 HB2 ASN 30 23.104 14.209 -6.260 235 2HB ASN 30 HB3 ASN 30 22.621 15.642 -7.192 236 1HD2 ASN 30 HD22 ASN 30 24.359 17.032 -7.387 237 2HD2 ASN 30 HD21 ASN 30 25.516 17.360 -6.125 238 H GLN 31 H GLN 31 19.499 16.685 -6.105 239 HA GLN 31 HA GLN 31 20.210 19.397 -5.691 240 1HB GLN 31 HB2 GLN 31 17.490 18.017 -5.684 241 2HB GLN 31 HB3 GLN 31 17.729 19.767 -5.709 242 1HG GLN 31 HG2 GLN 31 18.946 19.595 -7.862 243 2HG GLN 31 HG3 GLN 31 18.695 17.847 -7.868 244 1HE2 GLN 31 HE22 GLN 31 16.365 17.085 -7.769 245 2HE2 GLN 31 HE21 GLN 31 15.155 18.046 -8.613 246 H PHE 32 H PHE 32 19.076 16.863 -3.449 247 HA PHE 32 HA PHE 32 18.415 18.800 -1.359 248 1HB PHE 32 HB2 PHE 32 18.582 15.777 -1.215 249 2HB PHE 32 HB3 PHE 32 17.785 16.845 -0.061 250 HD1 PHE 32 HD1 PHE 32 15.977 18.540 -1.338 251 HD2 PHE 32 HD2 PHE 32 17.184 14.620 -2.669 252 HE1 PHE 32 HE1 PHE 32 13.966 18.401 -2.787 253 HE2 PHE 32 HE2 PHE 32 15.175 14.480 -4.093 254 HZ PHE 32 HZ PHE 32 13.591 16.385 -4.204 255 HA PRO 33 HA PRO 33 22.609 18.986 -0.096 256 1HB PRO 33 HB2 PRO 33 22.451 20.294 2.300 257 2HB PRO 33 HB3 PRO 33 21.888 21.014 0.770 258 1HG PRO 33 HG2 PRO 33 20.209 19.523 2.822 259 2HG PRO 33 HG3 PRO 33 19.928 21.168 2.156 260 1HD PRO 33 HD2 PRO 33 18.707 18.986 1.092 261 2HD PRO 33 HD3 PRO 33 19.304 20.313 0.049 262 H GLY 34 H GLY 34 21.382 16.325 0.510 263 1HA GLY 34 HA2 GLY 34 23.236 15.443 2.652 264 2HA GLY 34 HA3 GLY 34 21.507 15.116 2.845 265 H PHE 35 H PHE 35 22.038 14.944 -0.481 266 HA PHE 35 HA PHE 35 21.785 12.179 -0.772 267 1HB PHE 35 HB2 PHE 35 21.313 13.829 -2.488 268 2HB PHE 35 HB3 PHE 35 22.974 14.416 -2.456 269 HD1 PHE 35 HD1 PHE 35 20.728 11.808 -3.685 270 HD2 PHE 35 HD2 PHE 35 24.824 13.115 -3.504 271 HE1 PHE 35 HE1 PHE 35 21.271 10.357 -5.615 272 HE2 PHE 35 HE2 PHE 35 25.393 11.554 -5.368 273 HZ PHE 35 HZ PHE 35 23.606 10.229 -6.452 274 H LYS 36 H LYS 36 23.263 10.602 -1.244 275 HA LYS 36 HA LYS 36 26.146 11.205 -0.838 276 1HB LYS 36 HB2 LYS 36 24.765 10.416 1.270 277 2HB LYS 36 HB3 LYS 36 24.935 8.809 0.542 278 1HG LYS 36 HG2 LYS 36 27.413 9.099 0.575 279 2HG LYS 36 HG3 LYS 36 27.208 10.768 1.129 280 1HD LYS 36 HD2 LYS 36 27.848 9.411 3.022 281 2HD LYS 36 HD3 LYS 36 26.212 10.023 3.225 282 1HE LYS 36 HE2 LYS 36 26.224 7.742 3.977 283 2HE LYS 36 HE3 LYS 36 25.307 7.810 2.478 284 1HZ LYS 36 HZ1 LYS 36 26.712 5.964 2.313 285 2HZ LYS 36 HZ2 LYS 36 27.448 7.068 1.370 286 3HZ LYS 36 HZ3 LYS 36 28.046 6.761 2.865 287 H GLU 37 H GLU 37 23.743 8.707 -2.014 288 HA GLU 37 HA GLU 37 25.574 8.169 -4.215 289 1HB GLU 37 HB2 GLU 37 26.275 6.764 -2.017 290 2HB GLU 37 HB3 GLU 37 24.949 5.730 -2.530 291 1HG GLU 37 HG2 GLU 37 26.072 5.470 -4.761 292 2HG GLU 37 HG3 GLU 37 27.370 6.521 -4.208 293 H VAL 38 H VAL 38 24.691 6.474 -5.689 294 HA VAL 38 HA VAL 38 21.855 5.695 -5.380 295 HB VAL 38 HB VAL 38 23.175 6.909 -7.848 296 1HG1 VAL 38 HG11 VAL 38 20.439 5.554 -7.715 297 2HG1 VAL 38 HG12 VAL 38 21.122 6.441 -9.101 298 3HG1 VAL 38 HG13 VAL 38 21.853 4.936 -8.600 299 1HG2 VAL 38 HG21 VAL 38 21.330 8.496 -7.789 300 2HG2 VAL 38 HG22 VAL 38 20.616 7.670 -6.385 301 3HG2 VAL 38 HG23 VAL 38 22.179 8.484 -6.243 302 H ARG 39 H ARG 39 21.506 3.595 -6.157 303 HA ARG 39 HA ARG 39 23.726 2.176 -7.524 304 1HB ARG 39 HB2 ARG 39 22.277 1.148 -5.050 305 2HB ARG 39 HB3 ARG 39 23.268 0.156 -6.126 306 1HG ARG 39 HG2 ARG 39 25.234 1.598 -5.653 307 2HG ARG 39 HG3 ARG 39 24.267 2.569 -4.534 308 1HD ARG 39 HD2 ARG 39 24.771 -0.414 -4.219 309 2HD ARG 39 HD3 ARG 39 25.738 0.838 -3.448 310 HE ARG 39 HE ARG 39 23.044 -0.040 -2.734 311 1HH1 ARG 39 HH21 ARG 39 25.455 2.628 -2.284 312 2HH1 ARG 39 HH22 ARG 39 24.790 2.984 -0.692 313 1HH2 ARG 39 HH11 ARG 39 22.259 0.676 -0.626 314 2HH2 ARG 39 HH12 ARG 39 23.096 2.017 0.147 315 H LEU 40 H LEU 40 22.721 2.090 -9.444 316 HA LEU 40 HA LEU 40 19.885 1.537 -9.837 317 1HB LEU 40 HB2 LEU 40 22.104 2.543 -11.383 318 2HB LEU 40 HB3 LEU 40 21.660 1.032 -12.124 319 HG LEU 40 HG LEU 40 20.570 2.896 -13.187 320 1HD1 LEU 40 HD11 LEU 40 19.337 0.760 -13.116 321 2HD1 LEU 40 HD12 LEU 40 18.440 1.334 -11.674 322 3HD1 LEU 40 HD13 LEU 40 18.278 2.168 -13.222 323 1HD2 LEU 40 HD21 LEU 40 20.496 4.445 -11.255 324 2HD2 LEU 40 HD22 LEU 40 18.963 4.353 -12.118 325 3HD2 LEU 40 HD23 LEU 40 19.152 3.521 -10.567 326 H VAL 41 H VAL 41 19.364 -0.360 -11.303 327 HA VAL 41 HA VAL 41 20.980 -2.792 -10.716 328 HB VAL 41 HB VAL 41 17.955 -2.655 -10.851 329 1HG1 VAL 41 HG11 VAL 41 18.865 -4.792 -11.653 330 2HG1 VAL 41 HG12 VAL 41 19.902 -4.923 -10.211 331 3HG1 VAL 41 HG13 VAL 41 18.139 -5.029 -10.066 332 1HG2 VAL 41 HG21 VAL 41 18.047 -3.288 -8.423 333 2HG2 VAL 41 HG22 VAL 41 19.795 -2.979 -8.438 334 3HG2 VAL 41 HG23 VAL 41 18.641 -1.659 -8.732 335 HA PRO 42 HA PRO 42 20.715 -1.531 -15.083 336 1HB PRO 42 HB2 PRO 42 23.288 -2.033 -15.915 337 2HB PRO 42 HB3 PRO 42 22.857 -0.649 -14.875 338 1HG PRO 42 HG2 PRO 42 23.866 -3.375 -13.989 339 2HG PRO 42 HG3 PRO 42 24.528 -1.762 -13.556 340 1HD PRO 42 HD2 PRO 42 22.780 -3.053 -11.932 341 2HD PRO 42 HD3 PRO 42 22.684 -1.279 -12.161 342 H ASN 43 H ASN 43 19.859 -4.042 -14.041 343 HA ASN 43 HA ASN 43 19.829 -5.543 -16.518 344 1HB ASN 43 HB2 ASN 43 19.807 -7.699 -15.451 345 2HB ASN 43 HB3 ASN 43 21.265 -6.849 -14.972 346 1HD2 ASN 43 HD22 ASN 43 21.653 -6.624 -12.741 347 2HD2 ASN 43 HD21 ASN 43 20.489 -7.043 -11.510 348 H ARG 44 H ARG 44 18.098 -3.829 -14.097 349 HA ARG 44 HA ARG 44 15.611 -4.757 -15.434 350 1HB ARG 44 HB2 ARG 44 16.132 -4.443 -12.477 351 2HB ARG 44 HB3 ARG 44 14.560 -3.969 -13.129 352 1HG ARG 44 HG2 ARG 44 14.329 -6.243 -14.176 353 2HG ARG 44 HG3 ARG 44 15.843 -6.718 -13.395 354 1HD ARG 44 HD2 ARG 44 13.932 -7.510 -12.114 355 2HD ARG 44 HD3 ARG 44 14.833 -6.310 -11.173 356 HE ARG 44 HE ARG 44 12.853 -4.869 -12.502 357 1HH1 ARG 44 HH21 ARG 44 12.867 -7.584 -10.226 358 2HH1 ARG 44 HH22 ARG 44 11.369 -7.171 -9.481 359 1HH2 ARG 44 HH11 ARG 44 10.839 -4.231 -11.424 360 2HH2 ARG 44 HH12 ARG 44 10.194 -5.276 -10.216 361 H HIS 45 H HIS 45 17.364 -2.097 -13.856 362 HA HIS 45 HA HIS 45 17.233 0.081 -13.891 363 1HB HIS 45 HB2 HIS 45 15.711 -0.145 -16.500 364 2HB HIS 45 HB3 HIS 45 16.507 1.287 -15.868 365 HD1 HIS 45 HD1 HIS 45 19.111 1.493 -16.306 366 HD2 HIS 45 HD2 HIS 45 17.356 -2.171 -17.417 367 HE1 HIS 45 HE1 HIS 45 20.886 0.208 -17.615 368 H ASP 46 H ASP 46 14.185 -1.555 -14.118 369 HA ASP 46 HA ASP 46 12.345 0.532 -13.644 370 1HB ASP 46 HB2 ASP 46 11.659 -1.510 -14.644 371 2HB ASP 46 HB3 ASP 46 12.419 -2.482 -13.393 372 H ILE 47 H ILE 47 14.608 -0.945 -11.498 373 HA ILE 47 HA ILE 47 13.367 0.387 -9.225 374 HB ILE 47 HB ILE 47 13.476 -1.376 -7.747 375 1HG1 ILE 47 HG12 ILE 47 15.694 -2.256 -8.211 376 2HG1 ILE 47 HG13 ILE 47 14.493 -3.507 -7.954 377 1HG2 ILE 47 HG21 ILE 47 12.555 -2.753 -10.296 378 2HG2 ILE 47 HG22 ILE 47 12.120 -3.192 -8.631 379 3HG2 ILE 47 HG23 ILE 47 11.587 -1.647 -9.323 380 1HD1 ILE 47 HD11 ILE 47 15.606 -2.696 -10.659 381 2HD1 ILE 47 HD12 ILE 47 16.069 -4.108 -9.686 382 3HD1 ILE 47 HD13 ILE 47 14.434 -4.000 -10.345 383 H ALA 48 H ALA 48 14.959 0.832 -7.504 384 HA ALA 48 HA ALA 48 17.808 0.611 -8.103 385 1HB ALA 48 HB1 ALA 48 17.089 2.534 -9.578 386 2HB ALA 48 HB2 ALA 48 16.449 3.351 -8.131 387 3HB ALA 48 HB3 ALA 48 18.189 3.041 -8.284 388 H PHE 49 H PHE 49 19.026 2.024 -6.423 389 HA PHE 49 HA PHE 49 17.470 2.411 -3.939 390 1HB PHE 49 HB2 PHE 49 20.274 1.256 -4.175 391 2HB PHE 49 HB3 PHE 49 19.502 1.719 -2.674 392 HD1 PHE 49 HD1 PHE 49 19.170 -0.643 -5.587 393 HD2 PHE 49 HD2 PHE 49 18.223 0.153 -1.450 394 HE1 PHE 49 HE1 PHE 49 18.209 -2.920 -5.381 395 HE2 PHE 49 HE2 PHE 49 17.338 -2.161 -1.222 396 HZ PHE 49 HZ PHE 49 17.326 -3.696 -3.180 397 H VAL 50 H VAL 50 18.234 4.191 -2.683 398 HA VAL 50 HA VAL 50 20.332 5.939 -3.847 399 HB VAL 50 HB VAL 50 17.592 6.922 -2.933 400 1HG1 VAL 50 HG11 VAL 50 19.930 8.394 -4.227 401 2HG1 VAL 50 HG12 VAL 50 18.331 9.088 -3.891 402 3HG1 VAL 50 HG13 VAL 50 19.366 8.578 -2.556 403 1HG2 VAL 50 HG21 VAL 50 18.659 6.685 -5.776 404 2HG2 VAL 50 HG22 VAL 50 17.296 5.798 -5.080 405 3HG2 VAL 50 HG23 VAL 50 17.176 7.545 -5.297 406 H GLU 51 H GLU 51 21.383 7.219 -2.158 407 HA GLU 51 HA GLU 51 20.776 6.383 0.623 408 1HB GLU 51 HB2 GLU 51 22.307 4.759 -0.336 409 2HB GLU 51 HB3 GLU 51 23.396 6.037 -0.890 410 1HG GLU 51 HG2 GLU 51 23.977 6.670 1.331 411 2HG GLU 51 HG3 GLU 51 22.708 5.674 2.047 412 H PHE 52 H PHE 52 21.528 7.755 2.168 413 HA PHE 52 HA PHE 52 22.371 10.495 1.375 414 1HB PHE 52 HB2 PHE 52 19.957 9.466 2.894 415 2HB PHE 52 HB3 PHE 52 20.618 11.028 3.289 416 HD1 PHE 52 HD1 PHE 52 19.266 9.117 0.296 417 HD2 PHE 52 HD2 PHE 52 20.065 12.926 2.138 418 HE1 PHE 52 HE1 PHE 52 18.145 10.277 -1.583 419 HE2 PHE 52 HE2 PHE 52 18.948 14.081 0.261 420 HZ PHE 52 HZ PHE 52 18.051 12.766 -1.636 421 H THR 53 H THR 53 23.091 11.753 3.296 422 HA THR 53 HA THR 53 24.792 10.295 5.084 423 HB THR 53 HB THR 53 23.767 13.156 5.158 424 HG1 THR 53 HG1 THR 53 25.672 13.599 4.121 425 1HG2 THR 53 HG21 THR 53 26.111 11.872 6.636 426 2HG2 THR 53 HG22 THR 53 25.674 13.603 6.655 427 3HG2 THR 53 HG23 THR 53 24.597 12.402 7.385 428 H THR 54 H THR 54 21.528 11.861 5.598 429 HA THR 54 HA THR 54 21.358 10.188 8.064 430 HB THR 54 HB THR 54 20.187 11.949 9.192 431 HG1 THR 54 HG1 THR 54 20.771 13.578 6.960 432 1HG2 THR 54 HG21 THR 54 22.725 11.951 9.293 433 2HG2 THR 54 HG22 THR 54 22.683 13.272 8.094 434 3HG2 THR 54 HG23 THR 54 21.922 13.484 9.678 435 H GLU 55 H GLU 55 19.436 9.654 8.750 436 HA GLU 55 HA GLU 55 17.506 8.672 6.910 437 1HB GLU 55 HB2 GLU 55 16.989 9.210 9.862 438 2HB GLU 55 HB3 GLU 55 16.259 8.000 8.821 439 1HG GLU 55 HG2 GLU 55 17.690 6.633 9.919 440 2HG GLU 55 HG3 GLU 55 18.793 7.114 8.640 441 H LEU 56 H LEU 56 17.755 11.768 8.564 442 HA LEU 56 HA LEU 56 14.987 12.579 8.173 443 1HB LEU 56 HB2 LEU 56 17.574 13.980 8.950 444 2HB LEU 56 HB3 LEU 56 16.147 14.909 8.501 445 HG LEU 56 HG LEU 56 14.818 13.862 10.277 446 1HD1 LEU 56 HD11 LEU 56 15.960 12.592 12.102 447 2HD1 LEU 56 HD12 LEU 56 15.897 11.695 10.588 448 3HD1 LEU 56 HD13 LEU 56 17.416 12.479 11.090 449 1HD2 LEU 56 HD21 LEU 56 15.910 15.021 12.157 450 2HD2 LEU 56 HD22 LEU 56 17.439 15.079 11.251 451 3HD2 LEU 56 HD23 LEU 56 16.020 15.980 10.674 452 H GLN 57 H GLN 57 18.093 13.037 6.442 453 HA GLN 57 HA GLN 57 16.960 14.878 4.527 454 1HB GLN 57 HB2 GLN 57 19.543 13.281 4.546 455 2HB GLN 57 HB3 GLN 57 19.135 14.523 3.346 456 1HG GLN 57 HG2 GLN 57 19.166 16.284 4.912 457 2HG GLN 57 HG3 GLN 57 19.122 15.207 6.301 458 1HE2 GLN 57 HE22 GLN 57 21.182 17.332 5.120 459 2HE2 GLN 57 HE21 GLN 57 22.692 16.489 5.342 460 H SER 58 H SER 58 17.676 11.291 4.447 461 HA SER 58 HA SER 58 16.700 10.915 1.791 462 1HB SER 58 HB2 SER 58 16.210 8.570 2.625 463 2HB SER 58 HB3 SER 58 17.881 9.103 2.798 464 HG SER 58 HG SER 58 16.646 8.080 4.679 465 H ASN 59 H ASN 59 14.981 10.876 4.989 466 HA ASN 59 HA ASN 59 12.436 10.276 3.974 467 1HB ASN 59 HB2 ASN 59 12.838 10.315 6.370 468 2HB ASN 59 HB3 ASN 59 13.189 12.038 6.332 469 1HD2 ASN 59 HD21 ASN 59 11.482 13.301 7.025 470 2HD2 ASN 59 HD22 ASN 59 9.800 12.891 6.826 471 H ALA 60 H ALA 60 13.884 13.539 4.387 472 HA ALA 60 HA ALA 60 11.644 14.939 3.331 473 1HB ALA 60 HB1 ALA 60 13.448 16.039 4.582 474 2HB ALA 60 HB2 ALA 60 14.587 15.718 3.247 475 3HB ALA 60 HB3 ALA 60 13.200 16.805 3.000 476 H ALA 61 H ALA 61 14.505 13.609 1.648 477 HA ALA 61 HA ALA 61 13.782 14.564 -0.943 478 1HB ALA 61 HB1 ALA 61 15.358 12.918 -1.764 479 2HB ALA 61 HB2 ALA 61 16.041 13.748 -0.349 480 3HB ALA 61 HB3 ALA 61 15.403 12.091 -0.193 481 H LYS 62 H LYS 62 12.965 11.523 0.781 482 HA LYS 62 HA LYS 62 11.533 10.254 -1.319 483 1HB LYS 62 HB2 LYS 62 12.129 8.957 0.583 484 2HB LYS 62 HB3 LYS 62 11.427 10.108 1.709 485 1HG LYS 62 HG2 LYS 62 9.155 9.536 0.954 486 2HG LYS 62 HG3 LYS 62 9.823 8.352 -0.180 487 1HD LYS 62 HD2 LYS 62 10.668 6.986 1.596 488 2HD LYS 62 HD3 LYS 62 10.408 8.244 2.810 489 1HE LYS 62 HE2 LYS 62 8.120 7.024 1.220 490 2HE LYS 62 HE3 LYS 62 8.712 6.303 2.721 491 1HZ LYS 62 HZ1 LYS 62 7.665 9.096 2.546 492 2HZ LYS 62 HZ2 LYS 62 6.832 7.800 3.096 493 3HZ LYS 62 HZ3 LYS 62 8.153 8.321 3.891 494 H GLU 63 H GLU 63 10.306 12.431 1.329 495 HA GLU 63 HA GLU 63 7.659 12.440 0.320 496 1HB GLU 63 HB2 GLU 63 9.115 14.612 1.895 497 2HB GLU 63 HB3 GLU 63 7.373 14.539 1.642 498 1HG GLU 63 HG2 GLU 63 9.057 12.565 3.222 499 2HG GLU 63 HG3 GLU 63 7.923 13.730 3.857 500 H ALA 64 H ALA 64 10.457 14.414 -0.574 501 HA ALA 64 HA ALA 64 9.051 16.323 -2.150 502 1HB ALA 64 HB1 ALA 64 11.939 15.386 -2.341 503 2HB ALA 64 HB2 ALA 64 11.279 16.901 -2.987 504 3HB ALA 64 HB3 ALA 64 11.333 16.637 -1.228 505 H LEU 65 H LEU 65 10.584 13.171 -3.055 506 HA LEU 65 HA LEU 65 9.728 13.670 -5.878 507 1HB LEU 65 HB2 LEU 65 12.004 12.010 -4.752 508 2HB LEU 65 HB3 LEU 65 11.538 12.039 -6.447 509 HG LEU 65 HG LEU 65 12.610 14.389 -4.860 510 1HD1 LEU 65 HD11 LEU 65 14.540 14.172 -6.405 511 2HD1 LEU 65 HD12 LEU 65 14.289 12.694 -5.464 512 3HD1 LEU 65 HD13 LEU 65 13.776 12.754 -7.157 513 1HD2 LEU 65 HD21 LEU 65 11.764 14.255 -7.789 514 2HD2 LEU 65 HD22 LEU 65 11.045 15.279 -6.524 515 3HD2 LEU 65 HD23 LEU 65 12.696 15.579 -7.057 516 H GLN 66 H GLN 66 8.599 11.778 -3.317 517 HA GLN 66 HA GLN 66 7.967 9.402 -4.754 518 1HB GLN 66 HB2 GLN 66 6.642 10.883 -2.474 519 2HB GLN 66 HB3 GLN 66 5.709 9.657 -3.336 520 1HG GLN 66 HG2 GLN 66 7.542 8.002 -2.960 521 2HG GLN 66 HG3 GLN 66 8.352 9.170 -1.921 522 1HE2 GLN 66 HE22 GLN 66 7.142 6.447 -1.267 523 2HE2 GLN 66 HE21 GLN 66 5.912 6.766 -0.071 524 H GLY 67 H GLY 67 6.776 9.025 -6.472 525 1HA GLY 67 HA2 GLY 67 5.054 9.131 -7.984 526 2HA GLY 67 HA3 GLY 67 4.419 10.591 -7.212 527 H PHE 68 H PHE 68 7.796 10.945 -7.888 528 HA PHE 68 HA PHE 68 7.226 13.069 -9.752 529 1HB PHE 68 HB2 PHE 68 9.079 13.162 -8.141 530 2HB PHE 68 HB3 PHE 68 9.841 11.761 -8.890 531 HD1 PHE 68 HD1 PHE 68 11.086 11.970 -10.984 532 HD2 PHE 68 HD2 PHE 68 9.043 15.366 -9.275 533 HE1 PHE 68 HE1 PHE 68 12.318 13.485 -12.511 534 HE2 PHE 68 HE2 PHE 68 10.287 16.877 -10.803 535 HZ PHE 68 HZ PHE 68 11.929 15.939 -12.422 536 H LYS 69 H LYS 69 6.935 12.862 -11.916 537 HA LYS 69 HA LYS 69 7.415 10.387 -13.368 538 1HB LYS 69 HB2 LYS 69 6.492 13.156 -14.090 539 2HB LYS 69 HB3 LYS 69 7.374 12.275 -15.336 540 1HG LYS 69 HG2 LYS 69 5.090 11.831 -15.694 541 2HG LYS 69 HG3 LYS 69 5.870 10.360 -15.136 542 1HD LYS 69 HD2 LYS 69 4.989 10.865 -12.801 543 2HD LYS 69 HD3 LYS 69 4.011 12.149 -13.519 544 1HE LYS 69 HE2 LYS 69 3.997 9.217 -14.393 545 2HE LYS 69 HE3 LYS 69 2.869 9.895 -13.204 546 1HZ LYS 69 HZ1 LYS 69 1.779 9.888 -15.278 547 2HZ LYS 69 HZ2 LYS 69 2.130 11.453 -14.993 548 3HZ LYS 69 HZ3 LYS 69 3.016 10.575 -16.078 549 H ILE 70 H ILE 70 9.415 9.611 -13.511 550 HA ILE 70 HA ILE 70 11.785 11.348 -13.860 551 HB ILE 70 HB ILE 70 11.411 8.366 -14.225 552 1HG1 ILE 70 HG12 ILE 70 12.778 9.879 -11.954 553 2HG1 ILE 70 HG13 ILE 70 11.117 9.302 -11.872 554 1HG2 ILE 70 HG21 ILE 70 13.912 8.327 -14.211 555 2HG2 ILE 70 HG22 ILE 70 13.302 9.291 -15.557 556 3HG2 ILE 70 HG23 ILE 70 13.928 10.099 -14.105 557 1HD1 ILE 70 HD11 ILE 70 11.855 6.979 -12.189 558 2HD1 ILE 70 HD12 ILE 70 13.555 7.513 -12.213 559 3HD1 ILE 70 HD13 ILE 70 12.578 7.731 -10.763 560 H THR 71 H THR 71 9.569 9.232 -15.815 561 HA THR 71 HA THR 71 9.859 11.082 -18.069 562 HB THR 71 HB THR 71 9.645 9.083 -19.604 563 HG1 THR 71 HG1 THR 71 10.167 7.077 -18.808 564 1HG2 THR 71 HG21 THR 71 11.861 10.189 -19.267 565 2HG2 THR 71 HG22 THR 71 12.214 9.043 -17.956 566 3HG2 THR 71 HG23 THR 71 12.006 8.459 -19.619 567 HA PRO 72 HA PRO 72 5.700 11.645 -17.951 568 1HB PRO 72 HB2 PRO 72 5.266 10.218 -20.586 569 2HB PRO 72 HB3 PRO 72 4.553 11.764 -20.017 570 1HG PRO 72 HG2 PRO 72 6.714 11.820 -21.631 571 2HG PRO 72 HG3 PRO 72 6.669 12.883 -20.185 572 1HD PRO 72 HD2 PRO 72 8.102 10.258 -20.555 573 2HD PRO 72 HD3 PRO 72 8.666 11.751 -19.749 574 H THR 73 H THR 73 6.352 8.200 -18.464 575 HA THR 73 HA THR 73 3.743 7.529 -17.222 576 HB THR 73 HB THR 73 4.069 5.378 -18.628 577 HG1 THR 73 HG1 THR 73 5.479 5.534 -20.328 578 1HG2 THR 73 HG21 THR 73 3.695 7.998 -20.157 579 2HG2 THR 73 HG22 THR 73 3.136 6.385 -20.651 580 3HG2 THR 73 HG23 THR 73 2.436 7.162 -19.222 581 H HIS 74 H HIS 74 6.716 7.912 -16.169 582 HA HIS 74 HA HIS 74 6.710 5.419 -14.532 583 1HB HIS 74 HB2 HIS 74 9.094 6.724 -15.874 584 2HB HIS 74 HB3 HIS 74 9.179 5.497 -14.614 585 HD1 HIS 74 HD1 HIS 74 8.880 2.976 -15.375 586 HD2 HIS 74 HD2 HIS 74 8.021 5.870 -18.308 587 HE1 HIS 74 HE1 HIS 74 8.486 1.705 -17.537 588 H ALA 75 H ALA 75 5.432 6.768 -13.205 589 HA ALA 75 HA ALA 75 6.564 8.990 -11.718 590 1HB ALA 75 HB1 ALA 75 4.677 8.544 -10.177 591 2HB ALA 75 HB2 ALA 75 4.121 8.659 -11.849 592 3HB ALA 75 HB3 ALA 75 4.273 7.070 -11.073 593 H MET 76 H MET 76 8.422 8.608 -10.680 594 HA MET 76 HA MET 76 9.554 6.318 -9.651 595 1HB MET 76 HB2 MET 76 10.552 8.593 -9.905 596 2HB MET 76 HB3 MET 76 9.598 9.165 -8.545 597 1HG MET 76 HG2 MET 76 10.767 7.357 -7.149 598 2HG MET 76 HG3 MET 76 11.859 7.149 -8.519 599 1HE MET 76 HE1 MET 76 12.046 10.309 -9.545 600 2HE MET 76 HE2 MET 76 13.479 10.837 -8.642 601 3HE MET 76 HE3 MET 76 13.475 9.252 -9.435 602 H LYS 77 H LYS 77 8.721 4.861 -8.197 603 HA LYS 77 HA LYS 77 7.129 5.882 -5.873 604 1HB LYS 77 HB2 LYS 77 7.749 3.132 -6.979 605 2HB LYS 77 HB3 LYS 77 7.151 3.372 -5.327 606 1HG LYS 77 HG2 LYS 77 5.174 4.625 -6.368 607 2HG LYS 77 HG3 LYS 77 5.709 3.995 -7.934 608 1HD LYS 77 HD2 LYS 77 5.016 2.317 -5.475 609 2HD LYS 77 HD3 LYS 77 3.920 2.613 -6.828 610 1HE LYS 77 HE2 LYS 77 5.263 1.368 -8.354 611 2HE LYS 77 HE3 LYS 77 6.646 1.335 -7.249 612 1HZ LYS 77 HZ1 LYS 77 4.093 -0.053 -6.701 613 2HZ LYS 77 HZ2 LYS 77 5.426 -0.769 -7.312 614 3HZ LYS 77 HZ3 LYS 77 5.478 -0.138 -5.810 615 H ILE 78 H ILE 78 8.052 5.648 -3.788 616 HA ILE 78 HA ILE 78 10.909 4.898 -3.585 617 HB ILE 78 HB ILE 78 9.755 7.400 -2.315 618 1HG1 ILE 78 HG12 ILE 78 11.441 7.360 -4.846 619 2HG1 ILE 78 HG13 ILE 78 9.749 7.827 -4.737 620 1HG2 ILE 78 HG21 ILE 78 11.733 6.337 -1.191 621 2HG2 ILE 78 HG22 ILE 78 12.659 6.597 -2.682 622 3HG2 ILE 78 HG23 ILE 78 12.036 7.961 -1.743 623 1HD1 ILE 78 HD11 ILE 78 12.089 9.304 -3.491 624 2HD1 ILE 78 HD12 ILE 78 11.070 9.805 -4.838 625 3HD1 ILE 78 HD13 ILE 78 10.378 9.686 -3.212 626 H THR 79 H THR 79 11.327 3.929 -1.622 627 HA THR 79 HA THR 79 9.463 4.071 0.628 628 HB THR 79 HB THR 79 10.090 1.356 0.535 629 HG1 THR 79 HG1 THR 79 10.654 1.753 -1.763 630 1HG2 THR 79 HG21 THR 79 7.716 1.022 0.159 631 2HG2 THR 79 HG22 THR 79 7.921 2.454 1.157 632 3HG2 THR 79 HG23 THR 79 7.556 2.636 -0.574 633 H PHE 80 H PHE 80 10.636 2.817 2.560 634 HA PHE 80 HA PHE 80 13.420 3.821 2.528 635 1HB PHE 80 HB2 PHE 80 11.632 2.703 4.707 636 2HB PHE 80 HB3 PHE 80 13.354 2.997 4.934 637 HD1 PHE 80 HD1 PHE 80 10.113 4.506 5.127 638 HD2 PHE 80 HD2 PHE 80 14.264 5.379 4.338 639 HE1 PHE 80 HE1 PHE 80 9.708 6.903 5.606 640 HE2 PHE 80 HE2 PHE 80 13.842 7.786 4.762 641 HZ PHE 80 HZ PHE 80 11.555 8.546 5.398 642 H ALA 81 H ALA 81 15.133 2.546 2.316 643 HA ALA 81 HA ALA 81 14.785 -0.366 1.862 644 1HB ALA 81 HB1 ALA 81 17.261 1.397 1.681 645 2HB ALA 81 HB2 ALA 81 17.170 -0.315 1.237 646 3HB ALA 81 HB3 ALA 81 16.270 0.881 0.304 647 H LYS 82 H LYS 82 17.006 -1.412 3.064 648 HA LYS 82 HA LYS 82 16.645 -0.781 5.966 649 1HB LYS 82 HB2 LYS 82 16.403 -3.456 4.527 650 2HB LYS 82 HB3 LYS 82 16.557 -3.305 6.281 651 1HG LYS 82 HG2 LYS 82 14.526 -2.047 6.475 652 2HG LYS 82 HG3 LYS 82 14.331 -1.890 4.741 653 1HD LYS 82 HD2 LYS 82 14.129 -4.470 6.327 654 2HD LYS 82 HD3 LYS 82 12.788 -3.541 5.671 655 1HE LYS 82 HE2 LYS 82 14.900 -5.070 4.090 656 2HE LYS 82 HE3 LYS 82 13.202 -5.490 4.292 657 1HZ LYS 82 HZ1 LYS 82 12.687 -3.348 3.086 658 2HZ LYS 82 HZ2 LYS 82 14.275 -3.216 2.740 659 3HZ LYS 82 HZ3 LYS 82 13.435 -4.491 2.180 660 H LYS 83 H LYS 83 18.312 -2.103 7.273 661 HA LYS 83 HA LYS 83 20.959 -2.220 5.962 662 1HB LYS 83 HB2 LYS 83 20.248 -0.599 8.455 663 2HB LYS 83 HB3 LYS 83 21.889 -1.062 8.002 664 1HG LYS 83 HG2 LYS 83 21.727 0.230 5.912 665 2HG LYS 83 HG3 LYS 83 20.048 0.647 6.275 666 1HD LYS 83 HD2 LYS 83 21.420 2.540 6.814 667 2HD LYS 83 HD3 LYS 83 20.784 1.858 8.316 668 1HE LYS 83 HE2 LYS 83 22.982 0.671 8.649 669 2HE LYS 83 HE3 LYS 83 23.593 1.444 7.181 670 1HZ LYS 83 HZ1 LYS 83 23.287 3.607 8.284 671 2HZ LYS 83 HZ2 LYS 83 22.722 2.867 9.634 672 3HZ LYS 83 HZ3 LYS 83 24.262 2.639 9.164 Start of MODEL 16 1 1H ALA 1 H1 ALA 1 3.668 -5.246 -3.043 2 2H ALA 1 H2 ALA 1 2.053 -5.212 -2.679 3 3H ALA 1 H3 ALA 1 2.768 -3.954 -3.459 4 HA ALA 1 HA ALA 1 2.526 -3.247 -1.260 5 1HB ALA 1 HB1 ALA 1 3.376 -4.570 0.637 6 2HB ALA 1 HB2 ALA 1 2.190 -5.511 -0.272 7 3HB ALA 1 HB3 ALA 1 3.925 -5.849 -0.466 8 H GLN 2 H GLN 2 4.609 -2.780 0.363 9 HA GLN 2 HA GLN 2 7.132 -2.968 -1.044 10 1HB GLN 2 HB2 GLN 2 7.645 -0.525 -0.682 11 2HB GLN 2 HB3 GLN 2 6.524 -0.863 -1.993 12 1HG GLN 2 HG2 GLN 2 4.607 -0.204 -0.616 13 2HG GLN 2 HG3 GLN 2 5.644 0.035 0.782 14 1HE2 GLN 2 HE22 GLN 2 7.842 1.497 -0.686 15 2HE2 GLN 2 HE21 GLN 2 7.170 3.060 -0.984 16 H THR 3 H THR 3 8.901 -2.830 0.446 17 HA THR 3 HA THR 3 8.194 -3.641 3.131 18 HB THR 3 HB THR 3 10.776 -3.989 3.156 19 HG1 THR 3 HG1 THR 3 11.385 -2.710 1.452 20 1HG2 THR 3 HG21 THR 3 9.088 -5.421 1.048 21 2HG2 THR 3 HG22 THR 3 10.599 -6.013 1.776 22 3HG2 THR 3 HG23 THR 3 9.154 -5.814 2.779 23 H GLU 4 H GLU 4 7.250 -1.264 3.330 24 HA GLU 4 HA GLU 4 9.106 0.890 3.794 25 1HB GLU 4 HB2 GLU 4 6.174 0.394 4.426 26 2HB GLU 4 HB3 GLU 4 6.990 1.844 5.016 27 1HG GLU 4 HG2 GLU 4 7.059 1.097 2.079 28 2HG GLU 4 HG3 GLU 4 5.710 1.983 2.779 29 H GLN 5 H GLN 5 9.535 1.900 5.817 30 HA GLN 5 HA GLN 5 9.501 0.253 8.240 31 1HB GLN 5 HB2 GLN 5 12.004 1.207 6.744 32 2HB GLN 5 HB3 GLN 5 12.053 0.635 8.398 33 1HG GLN 5 HG2 GLN 5 11.206 -1.085 6.035 34 2HG GLN 5 HG3 GLN 5 12.812 -1.000 6.713 35 1HE2 GLN 5 HE22 GLN 5 9.451 -1.992 7.439 36 2HE2 GLN 5 HE21 GLN 5 9.884 -3.096 8.737 37 HA PRO 6 HA PRO 6 9.913 4.504 10.060 38 1HB PRO 6 HB2 PRO 6 12.366 3.390 11.427 39 2HB PRO 6 HB3 PRO 6 11.078 4.430 12.109 40 1HG PRO 6 HG2 PRO 6 11.088 1.771 12.627 41 2HG PRO 6 HG3 PRO 6 9.547 2.591 12.210 42 1HD PRO 6 HD2 PRO 6 11.347 0.950 10.422 43 2HD PRO 6 HD3 PRO 6 9.564 0.903 10.565 44 HA PRO 7 HA PRO 7 12.737 6.456 7.308 45 1HB PRO 7 HB2 PRO 7 13.740 8.113 9.631 46 2HB PRO 7 HB3 PRO 7 13.293 8.653 7.981 47 1HG PRO 7 HG2 PRO 7 11.541 8.950 10.023 48 2HG PRO 7 HG3 PRO 7 10.967 8.354 8.432 49 1HD PRO 7 HD2 PRO 7 11.554 6.763 10.935 50 2HD PRO 7 HD3 PRO 7 10.205 6.602 9.770 51 H ASN 8 H ASN 8 14.772 6.253 6.457 52 HA ASN 8 HA ASN 8 17.062 5.414 8.100 53 1HB ASN 8 HB2 ASN 8 16.009 3.242 7.589 54 2HB ASN 8 HB3 ASN 8 15.835 3.699 5.892 55 1HD2 ASN 8 HD21 ASN 8 17.210 2.297 4.857 56 2HD2 ASN 8 HD22 ASN 8 18.936 2.191 5.185 57 H GLN 9 H GLN 9 19.025 5.802 6.974 58 HA GLN 9 HA GLN 9 18.906 7.965 5.078 59 1HB GLN 9 HB2 GLN 9 21.236 8.151 5.416 60 2HB GLN 9 HB3 GLN 9 20.509 7.804 6.970 61 1HG GLN 9 HG2 GLN 9 21.199 5.403 6.750 62 2HG GLN 9 HG3 GLN 9 21.968 5.781 5.204 63 1HE2 GLN 9 HE22 GLN 9 23.583 7.764 5.333 64 2HE2 GLN 9 HE21 GLN 9 24.660 7.721 6.711 65 H ILE 10 H ILE 10 18.185 4.974 4.187 66 HA ILE 10 HA ILE 10 19.515 5.236 1.585 67 HB ILE 10 HB ILE 10 19.307 2.536 2.976 68 1HG1 ILE 10 HG12 ILE 10 21.766 4.286 2.603 69 2HG1 ILE 10 HG13 ILE 10 21.032 3.789 4.131 70 1HG2 ILE 10 HG21 ILE 10 20.737 3.303 0.390 71 2HG2 ILE 10 HG22 ILE 10 20.563 1.668 1.062 72 3HG2 ILE 10 HG23 ILE 10 19.155 2.500 0.451 73 1HD1 ILE 10 HD11 ILE 10 22.550 2.035 2.186 74 2HD1 ILE 10 HD12 ILE 10 22.951 2.440 3.861 75 3HD1 ILE 10 HD13 ILE 10 21.562 1.388 3.517 76 H LEU 11 H LEU 11 18.127 4.666 -0.051 77 HA LEU 11 HA LEU 11 15.295 4.059 0.687 78 1HB LEU 11 HB2 LEU 11 16.362 5.962 -1.445 79 2HB LEU 11 HB3 LEU 11 14.667 5.591 -1.146 80 HG LEU 11 HG LEU 11 16.521 7.025 0.808 81 1HD1 LEU 11 HD11 LEU 11 14.296 8.116 -0.955 82 2HD1 LEU 11 HD12 LEU 11 15.213 9.029 0.257 83 3HD1 LEU 11 HD13 LEU 11 16.036 8.383 -1.168 84 1HD2 LEU 11 HD21 LEU 11 13.546 6.371 0.947 85 2HD2 LEU 11 HD22 LEU 11 14.837 5.836 2.049 86 3HD2 LEU 11 HD23 LEU 11 14.361 7.537 2.010 87 H PHE 12 H PHE 12 14.227 2.755 -0.767 88 HA PHE 12 HA PHE 12 15.790 1.535 -2.997 89 1HB PHE 12 HB2 PHE 12 15.312 -0.171 -1.302 90 2HB PHE 12 HB3 PHE 12 13.623 0.321 -1.232 91 HD1 PHE 12 HD1 PHE 12 12.120 -1.123 -2.364 92 HD2 PHE 12 HD2 PHE 12 16.100 -0.600 -3.934 93 HE1 PHE 12 HE1 PHE 12 11.677 -2.847 -4.090 94 HE2 PHE 12 HE2 PHE 12 15.637 -2.276 -5.686 95 HZ PHE 12 HZ PHE 12 13.435 -3.426 -5.764 96 H LEU 13 H LEU 13 14.736 1.646 -4.958 97 HA LEU 13 HA LEU 13 12.232 3.269 -5.054 98 1HB LEU 13 HB2 LEU 13 14.934 3.595 -6.420 99 2HB LEU 13 HB3 LEU 13 13.461 4.093 -7.214 100 HG LEU 13 HG LEU 13 12.905 5.585 -5.298 101 1HD1 LEU 13 HD11 LEU 13 14.923 6.330 -3.907 102 2HD1 LEU 13 HD12 LEU 13 14.211 4.785 -3.458 103 3HD1 LEU 13 HD13 LEU 13 15.711 4.810 -4.396 104 1HD2 LEU 13 HD21 LEU 13 14.423 7.322 -6.045 105 2HD2 LEU 13 HD22 LEU 13 15.566 6.121 -6.677 106 3HD2 LEU 13 HD23 LEU 13 13.970 6.337 -7.432 107 H THR 14 H THR 14 10.849 2.733 -6.682 108 HA THR 14 HA THR 14 11.522 0.561 -8.578 109 HB THR 14 HB THR 14 9.438 -0.633 -7.944 110 HG1 THR 14 HG1 THR 14 8.408 -0.100 -6.052 111 1HG2 THR 14 HG21 THR 14 11.647 -1.319 -6.911 112 2HG2 THR 14 HG22 THR 14 11.211 -0.349 -5.490 113 3HG2 THR 14 HG23 THR 14 10.210 -1.735 -5.962 114 H ASN 15 H ASN 15 9.432 0.190 -9.985 115 HA ASN 15 HA ASN 15 8.182 0.931 -11.647 116 1HB ASN 15 HB2 ASN 15 6.665 1.502 -9.724 117 2HB ASN 15 HB3 ASN 15 7.279 3.154 -9.789 118 1HD2 ASN 15 HD22 ASN 15 5.896 4.500 -10.868 119 2HD2 ASN 15 HD21 ASN 15 4.803 4.005 -12.159 120 H LEU 16 H LEU 16 10.907 1.848 -11.514 121 HA LEU 16 HA LEU 16 11.008 4.620 -12.459 122 1HB LEU 16 HB2 LEU 16 13.192 2.520 -12.466 123 2HB LEU 16 HB3 LEU 16 13.402 4.261 -12.488 124 HG LEU 16 HG LEU 16 12.411 2.616 -10.131 125 1HD1 LEU 16 HD11 LEU 16 14.805 2.371 -10.684 126 2HD1 LEU 16 HD12 LEU 16 15.012 4.119 -10.522 127 3HD1 LEU 16 HD13 LEU 16 14.520 3.144 -9.114 128 1HD2 LEU 16 HD21 LEU 16 11.478 5.043 -10.346 129 2HD2 LEU 16 HD22 LEU 16 12.221 4.562 -8.848 130 3HD2 LEU 16 HD23 LEU 16 13.154 5.542 -9.997 131 HA PRO 17 HA PRO 17 11.016 3.828 -16.908 132 1HB PRO 17 HB2 PRO 17 13.890 4.717 -16.911 133 2HB PRO 17 HB3 PRO 17 12.576 5.127 -18.057 134 1HG PRO 17 HG2 PRO 17 13.281 6.856 -16.111 135 2HG PRO 17 HG3 PRO 17 11.542 6.568 -16.459 136 1HD PRO 17 HD2 PRO 17 13.206 5.490 -14.209 137 2HD PRO 17 HD3 PRO 17 11.509 6.036 -14.197 138 H GLU 18 H GLU 18 11.879 2.257 -18.496 139 HA GLU 18 HA GLU 18 13.432 0.044 -17.304 140 1HB GLU 18 HB2 GLU 18 12.239 0.386 -20.090 141 2HB GLU 18 HB3 GLU 18 13.047 -1.067 -19.475 142 1HG GLU 18 HG2 GLU 18 11.333 -1.114 -17.592 143 2HG GLU 18 HG3 GLU 18 10.441 0.135 -18.461 144 H GLU 19 H GLU 19 14.430 2.916 -17.960 145 HA GLU 19 HA GLU 19 16.878 2.215 -19.353 146 1HB GLU 19 HB2 GLU 19 15.060 4.579 -20.006 147 2HB GLU 19 HB3 GLU 19 16.612 4.279 -20.771 148 1HG GLU 19 HG2 GLU 19 14.112 2.561 -21.031 149 2HG GLU 19 HG3 GLU 19 14.733 3.695 -22.214 150 H THR 20 H THR 20 15.800 3.189 -16.472 151 HA THR 20 HA THR 20 16.871 5.743 -15.946 152 HB THR 20 HB THR 20 16.957 3.581 -13.849 153 HG1 THR 20 HG1 THR 20 15.018 2.994 -14.169 154 1HG2 THR 20 HG21 THR 20 15.843 5.320 -12.502 155 2HG2 THR 20 HG22 THR 20 17.308 5.979 -13.243 156 3HG2 THR 20 HG23 THR 20 15.712 6.371 -13.927 157 H ASN 21 H ASN 21 18.882 6.365 -15.022 158 HA ASN 21 HA ASN 21 21.086 4.403 -15.160 159 1HB ASN 21 HB2 ASN 21 21.088 5.650 -17.310 160 2HB ASN 21 HB3 ASN 21 21.075 7.183 -16.434 161 1HD2 ASN 21 HD22 ASN 21 23.069 4.305 -17.212 162 2HD2 ASN 21 HD21 ASN 21 24.576 5.025 -16.717 163 H GLU 22 H GLU 22 22.873 5.087 -13.761 164 HA GLU 22 HA GLU 22 22.178 6.004 -11.233 165 1HB GLU 22 HB2 GLU 22 24.226 4.728 -12.028 166 2HB GLU 22 HB3 GLU 22 24.899 6.268 -12.575 167 1HG GLU 22 HG2 GLU 22 24.704 7.112 -10.204 168 2HG GLU 22 HG3 GLU 22 24.136 5.505 -9.728 169 H MET 23 H MET 23 23.322 7.873 -14.025 170 HA MET 23 HA MET 23 23.757 10.333 -12.631 171 1HB MET 23 HB2 MET 23 23.177 9.769 -15.567 172 2HB MET 23 HB3 MET 23 23.675 11.337 -14.941 173 1HG MET 23 HG2 MET 23 25.294 8.768 -14.821 174 2HG MET 23 HG3 MET 23 25.582 10.130 -15.891 175 1HE MET 23 HE1 MET 23 26.520 12.475 -15.136 176 2HE MET 23 HE2 MET 23 25.257 12.701 -13.902 177 3HE MET 23 HE3 MET 23 26.966 12.890 -13.467 178 H MET 24 H MET 24 20.818 8.940 -14.061 179 HA MET 24 HA MET 24 19.306 11.383 -14.220 180 1HB MET 24 HB2 MET 24 18.391 8.483 -13.891 181 2HB MET 24 HB3 MET 24 17.287 9.837 -14.031 182 1HG MET 24 HG2 MET 24 19.408 9.136 -16.070 183 2HG MET 24 HG3 MET 24 17.724 8.608 -16.148 184 1HE MET 24 HE1 MET 24 15.978 11.173 -15.363 185 2HE MET 24 HE2 MET 24 15.746 11.849 -16.985 186 3HE MET 24 HE3 MET 24 15.690 10.090 -16.745 187 H LEU 25 H LEU 25 19.417 8.784 -11.785 188 HA LEU 25 HA LEU 25 17.694 10.233 -9.973 189 1HB LEU 25 HB2 LEU 25 19.561 7.886 -9.472 190 2HB LEU 25 HB3 LEU 25 18.368 8.489 -8.321 191 HG LEU 25 HG LEU 25 17.836 7.171 -11.019 192 1HD1 LEU 25 HD11 LEU 25 16.717 5.478 -9.586 193 2HD1 LEU 25 HD12 LEU 25 18.445 5.636 -9.240 194 3HD1 LEU 25 HD13 LEU 25 17.260 6.367 -8.141 195 1HD2 LEU 25 HD21 LEU 25 15.918 8.555 -9.108 196 2HD2 LEU 25 HD22 LEU 25 16.150 8.849 -10.852 197 3HD2 LEU 25 HD23 LEU 25 15.395 7.348 -10.314 198 H SER 26 H SER 26 21.264 9.999 -10.369 199 HA SER 26 HA SER 26 21.897 11.277 -7.900 200 1HB SER 26 HB2 SER 26 23.417 11.359 -10.543 201 2HB SER 26 HB3 SER 26 24.053 11.824 -8.955 202 HG SER 26 HG SER 26 23.224 9.266 -9.858 203 H MET 27 H MET 27 21.243 12.614 -11.191 204 HA MET 27 HA MET 27 21.573 15.336 -10.504 205 1HB MET 27 HB2 MET 27 21.500 14.534 -12.803 206 2HB MET 27 HB3 MET 27 19.849 13.942 -12.597 207 1HG MET 27 HG2 MET 27 19.848 16.002 -13.834 208 2HG MET 27 HG3 MET 27 19.020 16.201 -12.293 209 1HE MET 27 HE1 MET 27 18.993 18.773 -12.363 210 2HE MET 27 HE2 MET 27 20.391 19.785 -12.792 211 3HE MET 27 HE3 MET 27 19.688 18.684 -13.999 212 H LEU 28 H LEU 28 18.649 13.193 -10.332 213 HA LEU 28 HA LEU 28 16.937 15.333 -9.503 214 1HB LEU 28 HB2 LEU 28 16.675 12.322 -9.179 215 2HB LEU 28 HB3 LEU 28 15.412 13.463 -8.723 216 HG LEU 28 HG LEU 28 16.521 13.179 -11.543 217 1HD1 LEU 28 HD11 LEU 28 15.256 11.180 -10.787 218 2HD1 LEU 28 HD12 LEU 28 13.869 12.225 -10.395 219 3HD1 LEU 28 HD13 LEU 28 14.421 12.055 -12.076 220 1HD2 LEU 28 HD21 LEU 28 14.161 14.785 -10.482 221 2HD2 LEU 28 HD22 LEU 28 15.647 15.434 -11.216 222 3HD2 LEU 28 HD23 LEU 28 14.526 14.508 -12.201 223 H PHE 29 H PHE 29 18.549 12.804 -7.514 224 HA PHE 29 HA PHE 29 17.374 13.989 -5.123 225 1HB PHE 29 HB2 PHE 29 19.280 11.672 -5.608 226 2HB PHE 29 HB3 PHE 29 18.882 12.263 -4.001 227 HD1 PHE 29 HD1 PHE 29 16.951 11.677 -2.845 228 HD2 PHE 29 HD2 PHE 29 17.278 10.773 -7.045 229 HE1 PHE 29 HE1 PHE 29 14.908 10.284 -2.702 230 HE2 PHE 29 HE2 PHE 29 15.252 9.373 -6.895 231 HZ PHE 29 HZ PHE 29 14.056 9.130 -4.729 232 H ASN 30 H ASN 30 20.606 14.333 -6.681 233 HA ASN 30 HA ASN 30 21.926 15.212 -4.338 234 1HB ASN 30 HB2 ASN 30 23.116 14.481 -6.315 235 2HB ASN 30 HB3 ASN 30 22.530 15.889 -7.221 236 1HD2 ASN 30 HD22 ASN 30 24.178 17.397 -7.443 237 2HD2 ASN 30 HD21 ASN 30 25.360 17.762 -6.216 238 H GLN 31 H GLN 31 19.434 16.802 -6.060 239 HA GLN 31 HA GLN 31 20.021 19.533 -5.641 240 1HB GLN 31 HB2 GLN 31 17.369 18.029 -5.547 241 2HB GLN 31 HB3 GLN 31 17.527 19.789 -5.581 242 1HG GLN 31 HG2 GLN 31 18.694 19.658 -7.769 243 2HG GLN 31 HG3 GLN 31 18.500 17.903 -7.767 244 1HE2 GLN 31 HE22 GLN 31 16.207 17.058 -7.622 245 2HE2 GLN 31 HE21 GLN 31 14.941 17.982 -8.422 246 H PHE 32 H PHE 32 19.098 16.963 -3.342 247 HA PHE 32 HA PHE 32 18.464 18.923 -1.243 248 1HB PHE 32 HB2 PHE 32 18.626 15.907 -1.032 249 2HB PHE 32 HB3 PHE 32 17.843 17.007 0.091 250 HD1 PHE 32 HD1 PHE 32 17.266 14.751 -2.544 251 HD2 PHE 32 HD2 PHE 32 15.962 18.618 -1.161 252 HE1 PHE 32 HE1 PHE 32 15.282 14.585 -3.989 253 HE2 PHE 32 HE2 PHE 32 13.964 18.450 -2.626 254 HZ PHE 32 HZ PHE 32 13.654 16.444 -4.085 255 HA PRO 33 HA PRO 33 22.737 18.958 -0.085 256 1HB PRO 33 HB2 PRO 33 22.679 20.348 2.269 257 2HB PRO 33 HB3 PRO 33 22.173 21.057 0.714 258 1HG PRO 33 HG2 PRO 33 20.391 19.795 2.824 259 2HG PRO 33 HG3 PRO 33 20.225 21.410 2.064 260 1HD PRO 33 HD2 PRO 33 18.860 19.238 1.139 261 2HD PRO 33 HD3 PRO 33 19.500 20.486 0.027 262 H GLY 34 H GLY 34 21.435 16.414 0.490 263 1HA GLY 34 HA2 GLY 34 23.104 15.459 2.762 264 2HA GLY 34 HA3 GLY 34 21.372 15.082 2.714 265 H PHE 35 H PHE 35 22.043 15.027 -0.514 266 HA PHE 35 HA PHE 35 21.952 12.257 -0.818 267 1HB PHE 35 HB2 PHE 35 21.327 13.870 -2.511 268 2HB PHE 35 HB3 PHE 35 22.943 14.573 -2.511 269 HD1 PHE 35 HD1 PHE 35 24.805 13.529 -3.701 270 HD2 PHE 35 HD2 PHE 35 20.890 11.736 -3.670 271 HE1 PHE 35 HE1 PHE 35 25.437 12.099 -5.634 272 HE2 PHE 35 HE2 PHE 35 21.501 10.352 -5.616 273 HZ PHE 35 HZ PHE 35 23.778 10.525 -6.599 274 H LYS 36 H LYS 36 23.474 10.775 -1.340 275 HA LYS 36 HA LYS 36 26.372 11.468 -1.056 276 1HB LYS 36 HB2 LYS 36 25.173 8.826 -0.156 277 2HB LYS 36 HB3 LYS 36 26.850 9.294 -0.058 278 1HG LYS 36 HG2 LYS 36 24.689 10.758 1.490 279 2HG LYS 36 HG3 LYS 36 25.397 9.253 2.058 280 1HD LYS 36 HD2 LYS 36 26.458 11.001 3.199 281 2HD LYS 36 HD3 LYS 36 27.653 10.336 2.077 282 1HE LYS 36 HE2 LYS 36 27.546 12.224 0.655 283 2HE LYS 36 HE3 LYS 36 25.942 12.681 1.250 284 1HZ LYS 36 HZ1 LYS 36 26.866 13.398 3.287 285 2HZ LYS 36 HZ2 LYS 36 28.392 12.913 2.884 286 3HZ LYS 36 HZ3 LYS 36 27.678 14.150 2.086 287 H GLU 37 H GLU 37 24.069 8.865 -2.243 288 HA GLU 37 HA GLU 37 25.388 8.908 -4.839 289 1HB GLU 37 HB2 GLU 37 26.366 6.646 -4.710 290 2HB GLU 37 HB3 GLU 37 27.162 7.787 -3.643 291 1HG GLU 37 HG2 GLU 37 25.966 6.830 -1.704 292 2HG GLU 37 HG3 GLU 37 25.122 5.707 -2.790 293 H VAL 38 H VAL 38 24.811 6.804 -6.088 294 HA VAL 38 HA VAL 38 22.070 5.834 -5.528 295 HB VAL 38 HB VAL 38 23.195 6.893 -8.157 296 1HG1 VAL 38 HG11 VAL 38 21.043 6.350 -9.197 297 2HG1 VAL 38 HG12 VAL 38 21.823 4.893 -8.646 298 3HG1 VAL 38 HG13 VAL 38 20.481 5.577 -7.694 299 1HG2 VAL 38 HG21 VAL 38 22.405 8.674 -6.740 300 2HG2 VAL 38 HG22 VAL 38 21.307 8.462 -8.088 301 3HG2 VAL 38 HG23 VAL 38 20.849 7.852 -6.483 302 H ARG 39 H ARG 39 21.768 3.698 -6.276 303 HA ARG 39 HA ARG 39 24.013 2.317 -7.632 304 1HB ARG 39 HB2 ARG 39 22.542 1.157 -5.228 305 2HB ARG 39 HB3 ARG 39 23.715 0.318 -6.247 306 1HG ARG 39 HG2 ARG 39 25.458 1.985 -5.568 307 2HG ARG 39 HG3 ARG 39 24.268 2.762 -4.505 308 1HD ARG 39 HD2 ARG 39 24.023 0.610 -3.256 309 2HD ARG 39 HD3 ARG 39 25.333 -0.069 -4.253 310 HE ARG 39 HE ARG 39 26.111 2.455 -3.085 311 1HH1 ARG 39 HH21 ARG 39 25.733 -0.962 -2.133 312 2HH1 ARG 39 HH22 ARG 39 26.875 -0.837 -0.846 313 1HH2 ARG 39 HH11 ARG 39 27.493 2.629 -1.515 314 2HH2 ARG 39 HH12 ARG 39 27.952 1.306 -0.453 315 H LEU 40 H LEU 40 22.945 2.353 -9.544 316 HA LEU 40 HA LEU 40 20.132 1.707 -9.921 317 1HB LEU 40 HB2 LEU 40 22.235 2.899 -11.433 318 2HB LEU 40 HB3 LEU 40 21.996 1.353 -12.197 319 HG LEU 40 HG LEU 40 20.748 3.058 -13.314 320 1HD1 LEU 40 HD11 LEU 40 18.699 1.370 -11.829 321 2HD1 LEU 40 HD12 LEU 40 18.548 2.130 -13.417 322 3HD1 LEU 40 HD13 LEU 40 19.700 0.817 -13.217 323 1HD2 LEU 40 HD21 LEU 40 19.224 3.607 -10.736 324 2HD2 LEU 40 HD22 LEU 40 20.474 4.647 -11.440 325 3HD2 LEU 40 HD23 LEU 40 18.968 4.375 -12.313 326 H VAL 41 H VAL 41 19.633 -0.195 -11.367 327 HA VAL 41 HA VAL 41 21.386 -2.564 -10.903 328 HB VAL 41 HB VAL 41 18.362 -2.609 -11.091 329 1HG1 VAL 41 HG11 VAL 41 18.648 -4.965 -10.373 330 2HG1 VAL 41 HG12 VAL 41 19.471 -4.662 -11.902 331 3HG1 VAL 41 HG13 VAL 41 20.410 -4.764 -10.395 332 1HG2 VAL 41 HG21 VAL 41 18.430 -3.284 -8.666 333 2HG2 VAL 41 HG22 VAL 41 20.149 -2.840 -8.627 334 3HG2 VAL 41 HG23 VAL 41 18.904 -1.608 -8.933 335 HA PRO 42 HA PRO 42 21.052 -1.184 -15.248 336 1HB PRO 42 HB2 PRO 42 23.652 -1.504 -16.077 337 2HB PRO 42 HB3 PRO 42 23.134 -0.163 -15.019 338 1HG PRO 42 HG2 PRO 42 24.311 -2.832 -14.164 339 2HG PRO 42 HG3 PRO 42 24.874 -1.186 -13.714 340 1HD PRO 42 HD2 PRO 42 23.209 -2.595 -12.103 341 2HD PRO 42 HD3 PRO 42 23.002 -0.829 -12.320 342 H ASN 43 H ASN 43 20.360 -3.742 -14.208 343 HA ASN 43 HA ASN 43 20.510 -5.330 -16.640 344 1HB ASN 43 HB2 ASN 43 20.516 -6.474 -13.810 345 2HB ASN 43 HB3 ASN 43 20.354 -7.415 -15.283 346 1HD2 ASN 43 HD22 ASN 43 22.627 -5.800 -13.165 347 2HD2 ASN 43 HD21 ASN 43 24.065 -6.244 -14.045 348 H ARG 44 H ARG 44 18.606 -3.575 -14.377 349 HA ARG 44 HA ARG 44 16.193 -4.732 -15.617 350 1HB ARG 44 HB2 ARG 44 16.503 -5.933 -13.501 351 2HB ARG 44 HB3 ARG 44 16.582 -4.420 -12.621 352 1HG ARG 44 HG2 ARG 44 14.474 -5.572 -12.295 353 2HG ARG 44 HG3 ARG 44 14.214 -3.998 -13.015 354 1HD ARG 44 HD2 ARG 44 14.239 -6.579 -14.650 355 2HD ARG 44 HD3 ARG 44 12.790 -5.960 -13.840 356 HE ARG 44 HE ARG 44 14.125 -3.998 -15.508 357 1HH1 ARG 44 HH21 ARG 44 11.582 -6.480 -15.594 358 2HH1 ARG 44 HH22 ARG 44 10.773 -5.749 -16.933 359 1HH2 ARG 44 HH11 ARG 44 13.140 -3.100 -17.222 360 2HH2 ARG 44 HH12 ARG 44 11.666 -3.720 -17.890 361 H HIS 45 H HIS 45 17.671 -2.017 -13.826 362 HA HIS 45 HA HIS 45 17.400 0.147 -13.868 363 1HB HIS 45 HB2 HIS 45 15.856 -0.214 -16.449 364 2HB HIS 45 HB3 HIS 45 16.582 1.270 -15.862 365 HD1 HIS 45 HD1 HIS 45 19.173 1.605 -16.340 366 HD2 HIS 45 HD2 HIS 45 17.569 -2.142 -17.406 367 HE1 HIS 45 HE1 HIS 45 20.960 0.418 -17.719 368 H ASP 46 H ASP 46 14.363 -1.590 -14.098 369 HA ASP 46 HA ASP 46 12.534 0.511 -13.568 370 1HB ASP 46 HB2 ASP 46 11.871 -1.608 -14.551 371 2HB ASP 46 HB3 ASP 46 12.461 -2.498 -13.151 372 H ILE 47 H ILE 47 14.866 -0.952 -11.519 373 HA ILE 47 HA ILE 47 13.692 0.329 -9.193 374 HB ILE 47 HB ILE 47 13.914 -1.442 -7.733 375 1HG1 ILE 47 HG12 ILE 47 16.119 -2.279 -8.298 376 2HG1 ILE 47 HG13 ILE 47 14.956 -3.553 -8.005 377 1HG2 ILE 47 HG21 ILE 47 12.883 -2.802 -10.251 378 2HG2 ILE 47 HG22 ILE 47 12.552 -3.279 -8.573 379 3HG2 ILE 47 HG23 ILE 47 11.952 -1.733 -9.197 380 1HD1 ILE 47 HD11 ILE 47 15.930 -2.698 -10.753 381 2HD1 ILE 47 HD12 ILE 47 16.469 -4.104 -9.813 382 3HD1 ILE 47 HD13 ILE 47 14.800 -4.031 -10.399 383 H ALA 48 H ALA 48 15.322 0.786 -7.518 384 HA ALA 48 HA ALA 48 18.161 0.701 -8.186 385 1HB ALA 48 HB1 ALA 48 16.645 3.359 -8.153 386 2HB ALA 48 HB2 ALA 48 18.400 3.158 -8.338 387 3HB ALA 48 HB3 ALA 48 17.306 2.600 -9.619 388 H PHE 49 H PHE 49 19.356 2.097 -6.486 389 HA PHE 49 HA PHE 49 17.807 2.464 -3.995 390 1HB PHE 49 HB2 PHE 49 20.591 1.256 -4.223 391 2HB PHE 49 HB3 PHE 49 19.831 1.742 -2.725 392 HD1 PHE 49 HD1 PHE 49 19.445 -0.625 -5.622 393 HD2 PHE 49 HD2 PHE 49 18.519 0.217 -1.484 394 HE1 PHE 49 HE1 PHE 49 18.439 -2.882 -5.403 395 HE2 PHE 49 HE2 PHE 49 17.593 -2.081 -1.244 396 HZ PHE 49 HZ PHE 49 17.552 -3.628 -3.191 397 H VAL 50 H VAL 50 18.693 4.180 -2.663 398 HA VAL 50 HA VAL 50 20.750 5.941 -3.880 399 HB VAL 50 HB VAL 50 18.024 6.885 -2.881 400 1HG1 VAL 50 HG11 VAL 50 20.260 8.414 -4.279 401 2HG1 VAL 50 HG12 VAL 50 18.677 9.068 -3.810 402 3HG1 VAL 50 HG13 VAL 50 19.824 8.550 -2.568 403 1HG2 VAL 50 HG21 VAL 50 18.995 6.681 -5.757 404 2HG2 VAL 50 HG22 VAL 50 17.662 5.778 -5.022 405 3HG2 VAL 50 HG23 VAL 50 17.521 7.523 -5.221 406 H GLU 51 H GLU 51 22.025 6.967 -2.249 407 HA GLU 51 HA GLU 51 21.339 6.278 0.581 408 1HB GLU 51 HB2 GLU 51 23.061 4.769 -0.149 409 2HB GLU 51 HB3 GLU 51 23.978 6.085 -0.881 410 1HG GLU 51 HG2 GLU 51 24.459 7.063 1.307 411 2HG GLU 51 HG3 GLU 51 23.449 5.857 2.104 412 H PHE 52 H PHE 52 21.788 7.756 2.071 413 HA PHE 52 HA PHE 52 22.434 10.540 1.281 414 1HB PHE 52 HB2 PHE 52 19.947 9.295 2.376 415 2HB PHE 52 HB3 PHE 52 20.456 10.753 3.190 416 HD1 PHE 52 HD1 PHE 52 19.909 9.444 -0.303 417 HD2 PHE 52 HD2 PHE 52 19.796 12.826 2.363 418 HE1 PHE 52 HE1 PHE 52 19.067 10.863 -2.138 419 HE2 PHE 52 HE2 PHE 52 18.900 14.238 0.537 420 HZ PHE 52 HZ PHE 52 18.598 13.274 -1.738 421 H THR 53 H THR 53 22.785 11.883 3.170 422 HA THR 53 HA THR 53 24.749 10.853 4.971 423 HB THR 53 HB THR 53 23.177 13.469 4.849 424 HG1 THR 53 HG1 THR 53 24.377 13.200 3.045 425 1HG2 THR 53 HG21 THR 53 25.663 12.782 6.451 426 2HG2 THR 53 HG22 THR 53 25.077 14.439 6.139 427 3HG2 THR 53 HG23 THR 53 24.076 13.307 7.064 428 H THR 54 H THR 54 21.326 11.952 5.463 429 HA THR 54 HA THR 54 21.293 10.570 8.079 430 HB THR 54 HB THR 54 19.934 12.862 8.611 431 HG1 THR 54 HG1 THR 54 21.122 14.597 7.824 432 1HG2 THR 54 HG21 THR 54 21.702 11.937 10.000 433 2HG2 THR 54 HG22 THR 54 22.942 12.495 8.861 434 3HG2 THR 54 HG23 THR 54 21.959 13.672 9.763 435 H GLU 55 H GLU 55 19.380 10.016 8.810 436 HA GLU 55 HA GLU 55 17.529 8.987 6.945 437 1HB GLU 55 HB2 GLU 55 16.914 9.437 9.892 438 2HB GLU 55 HB3 GLU 55 16.252 8.227 8.802 439 1HG GLU 55 HG2 GLU 55 17.697 6.899 9.924 440 2HG GLU 55 HG3 GLU 55 18.781 7.411 8.642 441 H LEU 56 H LEU 56 17.490 12.008 8.781 442 HA LEU 56 HA LEU 56 14.760 12.747 8.214 443 1HB LEU 56 HB2 LEU 56 17.253 14.217 9.126 444 2HB LEU 56 HB3 LEU 56 15.847 15.124 8.576 445 HG LEU 56 HG LEU 56 14.411 14.060 10.255 446 1HD1 LEU 56 HD11 LEU 56 16.961 12.721 11.264 447 2HD1 LEU 56 HD12 LEU 56 15.425 12.800 12.152 448 3HD1 LEU 56 HD13 LEU 56 15.506 11.908 10.636 449 1HD2 LEU 56 HD21 LEU 56 15.550 16.195 10.736 450 2HD2 LEU 56 HD22 LEU 56 15.346 15.234 12.207 451 3HD2 LEU 56 HD23 LEU 56 16.937 15.315 11.414 452 H GLN 57 H GLN 57 17.855 13.105 6.436 453 HA GLN 57 HA GLN 57 16.615 14.975 4.547 454 1HB GLN 57 HB2 GLN 57 19.386 13.717 4.588 455 2HB GLN 57 HB3 GLN 57 18.797 14.905 3.409 456 1HG GLN 57 HG2 GLN 57 18.222 16.406 5.434 457 2HG GLN 57 HG3 GLN 57 19.206 15.298 6.395 458 1HE2 GLN 57 HE22 GLN 57 21.532 15.073 5.774 459 2HE2 GLN 57 HE21 GLN 57 22.312 16.385 4.889 460 H SER 58 H SER 58 17.485 11.445 4.592 461 HA SER 58 HA SER 58 16.675 11.032 1.857 462 1HB SER 58 HB2 SER 58 16.264 8.671 2.662 463 2HB SER 58 HB3 SER 58 17.901 9.281 2.918 464 HG SER 58 HG SER 58 16.650 8.181 4.724 465 H ASN 59 H ASN 59 14.900 10.995 5.018 466 HA ASN 59 HA ASN 59 12.357 10.424 3.971 467 1HB ASN 59 HB2 ASN 59 12.774 10.464 6.377 468 2HB ASN 59 HB3 ASN 59 13.116 12.187 6.322 469 1HD2 ASN 59 HD22 ASN 59 11.425 13.312 7.234 470 2HD2 ASN 59 HD21 ASN 59 9.738 12.953 6.973 471 H ALA 60 H ALA 60 13.878 13.660 4.347 472 HA ALA 60 HA ALA 60 11.703 15.114 3.239 473 1HB ALA 60 HB1 ALA 60 13.569 16.171 4.468 474 2HB ALA 60 HB2 ALA 60 14.676 15.783 3.127 475 3HB ALA 60 HB3 ALA 60 13.331 16.915 2.874 476 H ALA 61 H ALA 61 14.537 13.673 1.612 477 HA ALA 61 HA ALA 61 13.875 14.588 -1.011 478 1HB ALA 61 HB1 ALA 61 15.432 12.894 -1.778 479 2HB ALA 61 HB2 ALA 61 16.113 13.718 -0.359 480 3HB ALA 61 HB3 ALA 61 15.423 12.085 -0.196 481 H LYS 62 H LYS 62 13.008 11.611 0.774 482 HA LYS 62 HA LYS 62 11.601 10.295 -1.302 483 1HB LYS 62 HB2 LYS 62 12.320 9.162 0.722 484 2HB LYS 62 HB3 LYS 62 11.342 10.226 1.733 485 1HG LYS 62 HG2 LYS 62 9.271 9.313 0.723 486 2HG LYS 62 HG3 LYS 62 10.254 8.226 -0.273 487 1HD LYS 62 HD2 LYS 62 11.198 7.211 1.812 488 2HD LYS 62 HD3 LYS 62 10.185 8.315 2.772 489 1HE LYS 62 HE2 LYS 62 8.159 7.368 1.578 490 2HE LYS 62 HE3 LYS 62 9.219 6.169 0.824 491 1HZ LYS 62 HZ1 LYS 62 8.720 6.482 3.725 492 2HZ LYS 62 HZ2 LYS 62 8.206 5.255 2.762 493 3HZ LYS 62 HZ3 LYS 62 9.785 5.401 3.078 494 H GLU 63 H GLU 63 10.388 12.510 1.301 495 HA GLU 63 HA GLU 63 7.700 12.548 0.440 496 1HB GLU 63 HB2 GLU 63 9.420 14.640 1.838 497 2HB GLU 63 HB3 GLU 63 7.690 14.842 1.597 498 1HG GLU 63 HG2 GLU 63 8.857 12.445 3.070 499 2HG GLU 63 HG3 GLU 63 8.468 13.961 3.865 500 H ALA 64 H ALA 64 10.486 14.471 -0.631 501 HA ALA 64 HA ALA 64 9.028 16.274 -2.285 502 1HB ALA 64 HB1 ALA 64 11.250 16.873 -3.134 503 2HB ALA 64 HB2 ALA 64 11.294 16.688 -1.364 504 3HB ALA 64 HB3 ALA 64 11.938 15.403 -2.415 505 H LEU 65 H LEU 65 10.639 13.131 -3.051 506 HA LEU 65 HA LEU 65 9.854 13.513 -5.904 507 1HB LEU 65 HB2 LEU 65 12.092 11.899 -4.646 508 2HB LEU 65 HB3 LEU 65 11.684 11.874 -6.356 509 HG LEU 65 HG LEU 65 12.656 14.320 -4.839 510 1HD1 LEU 65 HD11 LEU 65 14.000 12.525 -6.907 511 2HD1 LEU 65 HD12 LEU 65 14.688 14.023 -6.240 512 3HD1 LEU 65 HD13 LEU 65 14.397 12.629 -5.185 513 1HD2 LEU 65 HD21 LEU 65 12.017 13.954 -7.805 514 2HD2 LEU 65 HD22 LEU 65 11.192 15.050 -6.671 515 3HD2 LEU 65 HD23 LEU 65 12.871 15.347 -7.108 516 H GLN 66 H GLN 66 8.744 11.621 -3.283 517 HA GLN 66 HA GLN 66 8.113 9.245 -4.743 518 1HB GLN 66 HB2 GLN 66 6.816 10.664 -2.404 519 2HB GLN 66 HB3 GLN 66 5.895 9.428 -3.268 520 1HG GLN 66 HG2 GLN 66 7.777 7.819 -2.969 521 2HG GLN 66 HG3 GLN 66 8.581 8.990 -1.925 522 1HE2 GLN 66 HE22 GLN 66 7.455 6.202 -1.308 523 2HE2 GLN 66 HE21 GLN 66 6.298 6.476 -0.038 524 H GLY 67 H GLY 67 6.877 8.888 -6.430 525 1HA GLY 67 HA2 GLY 67 5.105 9.037 -7.887 526 2HA GLY 67 HA3 GLY 67 4.526 10.501 -7.090 527 H PHE 68 H PHE 68 7.849 10.972 -7.773 528 HA PHE 68 HA PHE 68 7.252 12.993 -9.710 529 1HB PHE 68 HB2 PHE 68 9.118 13.116 -8.097 530 2HB PHE 68 HB3 PHE 68 9.885 11.716 -8.841 531 HD1 PHE 68 HD1 PHE 68 9.117 15.319 -9.199 532 HD2 PHE 68 HD2 PHE 68 11.063 11.905 -10.985 533 HE1 PHE 68 HE1 PHE 68 10.348 16.823 -10.742 534 HE2 PHE 68 HE2 PHE 68 12.274 13.414 -12.537 535 HZ PHE 68 HZ PHE 68 11.925 15.874 -12.417 536 H LYS 69 H LYS 69 6.947 12.727 -11.863 537 HA LYS 69 HA LYS 69 7.443 10.216 -13.246 538 1HB LYS 69 HB2 LYS 69 6.461 12.944 -14.033 539 2HB LYS 69 HB3 LYS 69 7.349 12.048 -15.267 540 1HG LYS 69 HG2 LYS 69 5.032 11.585 -15.537 541 2HG LYS 69 HG3 LYS 69 5.902 10.130 -15.058 542 1HD LYS 69 HD2 LYS 69 5.090 10.542 -12.672 543 2HD LYS 69 HD3 LYS 69 4.066 11.829 -13.305 544 1HE LYS 69 HE2 LYS 69 4.015 8.901 -14.201 545 2HE LYS 69 HE3 LYS 69 2.934 9.600 -12.986 546 1HZ LYS 69 HZ1 LYS 69 2.993 10.248 -15.866 547 2HZ LYS 69 HZ2 LYS 69 1.776 9.586 -15.018 548 3HZ LYS 69 HZ3 LYS 69 2.152 11.150 -14.765 549 H ILE 70 H ILE 70 9.432 9.468 -13.376 550 HA ILE 70 HA ILE 70 11.788 11.205 -13.810 551 HB ILE 70 HB ILE 70 11.420 8.205 -14.068 552 1HG1 ILE 70 HG12 ILE 70 12.706 9.788 -11.802 553 2HG1 ILE 70 HG13 ILE 70 11.068 9.137 -11.748 554 1HG2 ILE 70 HG21 ILE 70 13.320 9.123 -15.402 555 2HG2 ILE 70 HG22 ILE 70 13.944 9.917 -13.941 556 3HG2 ILE 70 HG23 ILE 70 13.898 8.142 -14.059 557 1HD1 ILE 70 HD11 ILE 70 12.517 7.620 -10.594 558 2HD1 ILE 70 HD12 ILE 70 11.943 6.843 -12.072 559 3HD1 ILE 70 HD13 ILE 70 13.605 7.479 -11.977 560 H THR 71 H THR 71 9.573 9.030 -15.624 561 HA THR 71 HA THR 71 9.874 10.663 -18.039 562 HB THR 71 HB THR 71 9.902 7.599 -17.892 563 HG1 THR 71 HG1 THR 71 11.968 9.451 -18.428 564 1HG2 THR 71 HG21 THR 71 10.527 7.602 -20.286 565 2HG2 THR 71 HG22 THR 71 8.890 8.185 -19.999 566 3HG2 THR 71 HG23 THR 71 10.201 9.346 -20.359 567 HA PRO 72 HA PRO 72 5.696 11.246 -17.644 568 1HB PRO 72 HB2 PRO 72 5.230 10.003 -20.362 569 2HB PRO 72 HB3 PRO 72 4.453 11.457 -19.648 570 1HG PRO 72 HG2 PRO 72 6.578 11.780 -21.268 571 2HG PRO 72 HG3 PRO 72 6.518 12.683 -19.716 572 1HD PRO 72 HD2 PRO 72 8.046 10.192 -20.400 573 2HD PRO 72 HD3 PRO 72 8.565 11.599 -19.428 574 H THR 73 H THR 73 6.305 7.815 -18.298 575 HA THR 73 HA THR 73 3.743 7.163 -16.946 576 HB THR 73 HB THR 73 3.950 4.997 -18.329 577 HG1 THR 73 HG1 THR 73 5.945 4.989 -19.155 578 1HG2 THR 73 HG21 THR 73 2.366 6.822 -18.913 579 2HG2 THR 73 HG22 THR 73 3.625 7.592 -19.904 580 3HG2 THR 73 HG23 THR 73 2.999 5.989 -20.341 581 H HIS 74 H HIS 74 6.622 7.642 -15.926 582 HA HIS 74 HA HIS 74 6.841 5.162 -14.304 583 1HB HIS 74 HB2 HIS 74 9.091 6.621 -15.741 584 2HB HIS 74 HB3 HIS 74 9.293 5.349 -14.534 585 HD1 HIS 74 HD1 HIS 74 8.823 2.819 -15.353 586 HD2 HIS 74 HD2 HIS 74 8.210 5.857 -18.203 587 HE1 HIS 74 HE1 HIS 74 8.432 1.650 -17.575 588 H ALA 75 H ALA 75 5.531 6.531 -12.971 589 HA ALA 75 HA ALA 75 6.664 8.802 -11.557 590 1HB ALA 75 HB1 ALA 75 4.424 6.860 -10.804 591 2HB ALA 75 HB2 ALA 75 4.814 8.379 -9.978 592 3HB ALA 75 HB3 ALA 75 4.219 8.415 -11.638 593 H MET 76 H MET 76 8.485 8.534 -10.431 594 HA MET 76 HA MET 76 9.733 6.292 -9.457 595 1HB MET 76 HB2 MET 76 10.602 8.624 -9.638 596 2HB MET 76 HB3 MET 76 9.627 9.096 -8.253 597 1HG MET 76 HG2 MET 76 10.855 7.379 -6.888 598 2HG MET 76 HG3 MET 76 11.904 7.086 -8.276 599 1HE MET 76 HE1 MET 76 13.538 9.099 -9.323 600 2HE MET 76 HE2 MET 76 12.174 10.239 -9.391 601 3HE MET 76 HE3 MET 76 13.674 10.693 -8.559 602 H LYS 77 H LYS 77 8.917 4.716 -8.113 603 HA LYS 77 HA LYS 77 7.284 5.532 -5.757 604 1HB LYS 77 HB2 LYS 77 6.413 3.594 -6.939 605 2HB LYS 77 HB3 LYS 77 8.011 2.862 -7.010 606 1HG LYS 77 HG2 LYS 77 6.693 1.699 -5.366 607 2HG LYS 77 HG3 LYS 77 8.034 2.517 -4.593 608 1HD LYS 77 HD2 LYS 77 6.308 2.867 -3.142 609 2HD LYS 77 HD3 LYS 77 6.313 4.400 -4.005 610 1HE LYS 77 HE2 LYS 77 4.409 3.647 -5.387 611 2HE LYS 77 HE3 LYS 77 4.505 2.033 -4.667 612 1HZ LYS 77 HZ1 LYS 77 2.777 3.278 -3.597 613 2HZ LYS 77 HZ2 LYS 77 3.978 3.051 -2.502 614 3HZ LYS 77 HZ3 LYS 77 3.771 4.512 -3.222 615 H ILE 78 H ILE 78 8.222 5.256 -3.672 616 HA ILE 78 HA ILE 78 11.106 4.604 -3.507 617 HB ILE 78 HB ILE 78 9.848 7.004 -2.142 618 1HG1 ILE 78 HG12 ILE 78 11.480 7.055 -4.706 619 2HG1 ILE 78 HG13 ILE 78 9.795 7.525 -4.533 620 1HG2 ILE 78 HG21 ILE 78 11.880 6.016 -1.057 621 2HG2 ILE 78 HG22 ILE 78 12.777 6.314 -2.558 622 3HG2 ILE 78 HG23 ILE 78 12.134 7.656 -1.601 623 1HD1 ILE 78 HD11 ILE 78 11.105 9.506 -4.676 624 2HD1 ILE 78 HD12 ILE 78 10.506 9.385 -3.020 625 3HD1 ILE 78 HD13 ILE 78 12.197 8.988 -3.392 626 H THR 79 H THR 79 11.619 3.624 -1.590 627 HA THR 79 HA THR 79 9.628 3.200 0.564 628 HB THR 79 HB THR 79 11.480 1.092 -0.661 629 HG1 THR 79 HG1 THR 79 10.042 1.439 -2.238 630 1HG2 THR 79 HG21 THR 79 10.004 -0.528 0.457 631 2HG2 THR 79 HG22 THR 79 10.733 0.573 1.630 632 3HG2 THR 79 HG23 THR 79 9.045 0.804 1.141 633 H PHE 80 H PHE 80 10.784 2.970 2.662 634 HA PHE 80 HA PHE 80 13.574 3.942 2.672 635 1HB PHE 80 HB2 PHE 80 11.751 2.863 4.851 636 2HB PHE 80 HB3 PHE 80 13.452 3.221 5.120 637 HD1 PHE 80 HD1 PHE 80 10.252 4.593 5.461 638 HD2 PHE 80 HD2 PHE 80 14.247 5.641 4.221 639 HE1 PHE 80 HE1 PHE 80 9.768 6.990 5.904 640 HE2 PHE 80 HE2 PHE 80 13.738 8.039 4.596 641 HZ PHE 80 HZ PHE 80 11.484 8.710 5.425 642 H ALA 81 H ALA 81 15.328 2.657 2.338 643 HA ALA 81 HA ALA 81 15.008 -0.252 2.019 644 1HB ALA 81 HB1 ALA 81 16.528 1.039 0.517 645 2HB ALA 81 HB2 ALA 81 17.508 1.484 1.932 646 3HB ALA 81 HB3 ALA 81 17.386 -0.207 1.423 647 H LYS 82 H LYS 82 17.022 -1.450 3.188 648 HA LYS 82 HA LYS 82 16.977 -0.741 6.093 649 1HB LYS 82 HB2 LYS 82 16.604 -3.456 4.747 650 2HB LYS 82 HB3 LYS 82 16.944 -3.255 6.471 651 1HG LYS 82 HG2 LYS 82 14.906 -1.943 6.789 652 2HG LYS 82 HG3 LYS 82 14.556 -1.980 5.064 653 1HD LYS 82 HD2 LYS 82 13.133 -3.579 6.160 654 2HD LYS 82 HD3 LYS 82 14.258 -4.402 5.098 655 1HE LYS 82 HE2 LYS 82 13.941 -5.640 7.159 656 2HE LYS 82 HE3 LYS 82 15.621 -5.127 7.004 657 1HZ LYS 82 HZ1 LYS 82 15.226 -3.425 8.641 658 2HZ LYS 82 HZ2 LYS 82 13.612 -3.693 8.665 659 3HZ LYS 82 HZ3 LYS 82 14.649 -4.820 9.250 660 H LYS 83 H LYS 83 18.776 -2.182 7.216 661 HA LYS 83 HA LYS 83 21.266 -2.163 5.624 662 1HB LYS 83 HB2 LYS 83 20.972 -0.829 8.354 663 2HB LYS 83 HB3 LYS 83 22.452 -0.999 7.406 664 1HG LYS 83 HG2 LYS 83 21.343 0.382 5.585 665 2HG LYS 83 HG3 LYS 83 20.021 0.705 6.706 666 1HD LYS 83 HD2 LYS 83 22.939 1.504 6.998 667 2HD LYS 83 HD3 LYS 83 21.584 2.574 6.681 668 1HE LYS 83 HE2 LYS 83 22.124 1.035 9.262 669 2HE LYS 83 HE3 LYS 83 22.353 2.761 8.993 670 1HZ LYS 83 HZ1 LYS 83 19.767 1.336 9.084 671 2HZ LYS 83 HZ2 LYS 83 20.307 2.481 10.107 672 3HZ LYS 83 HZ3 LYS 83 19.902 2.882 8.568 Start of MODEL 17 1 1H ALA 1 H1 ALA 1 5.590 -7.714 -1.563 2 2H ALA 1 H2 ALA 1 4.702 -7.809 -0.195 3 3H ALA 1 H3 ALA 1 3.967 -7.934 -1.660 4 HA ALA 1 HA ALA 1 4.529 -5.682 -2.208 5 1HB ALA 1 HB1 ALA 1 3.114 -5.901 0.491 6 2HB ALA 1 HB2 ALA 1 3.069 -4.506 -0.605 7 3HB ALA 1 HB3 ALA 1 2.350 -6.044 -1.110 8 H GLN 2 H GLN 2 5.973 -4.042 -1.982 9 HA GLN 2 HA GLN 2 8.205 -4.266 -0.259 10 1HB GLN 2 HB2 GLN 2 8.823 -2.041 -1.053 11 2HB GLN 2 HB3 GLN 2 8.344 -3.127 -2.354 12 1HG GLN 2 HG2 GLN 2 6.005 -1.974 -2.201 13 2HG GLN 2 HG3 GLN 2 6.822 -0.734 -1.263 14 1HE2 GLN 2 HE22 GLN 2 8.950 0.216 -2.436 15 2HE2 GLN 2 HE21 GLN 2 8.792 0.352 -4.182 16 H THR 3 H THR 3 8.557 -3.718 1.792 17 HA THR 3 HA THR 3 6.417 -2.778 3.473 18 HB THR 3 HB THR 3 8.382 -3.108 5.171 19 HG1 THR 3 HG1 THR 3 10.064 -4.406 4.259 20 1HG2 THR 3 HG21 THR 3 7.546 -5.459 3.406 21 2HG2 THR 3 HG22 THR 3 8.187 -5.554 5.061 22 3HG2 THR 3 HG23 THR 3 6.610 -4.805 4.768 23 H GLU 4 H GLU 4 7.020 -1.106 5.227 24 HA GLU 4 HA GLU 4 8.774 1.080 4.290 25 1HB GLU 4 HB2 GLU 4 5.848 1.239 5.034 26 2HB GLU 4 HB3 GLU 4 6.904 2.539 5.569 27 1HG GLU 4 HG2 GLU 4 6.822 1.664 2.663 28 2HG GLU 4 HG3 GLU 4 5.698 2.839 3.332 29 H GLN 5 H GLN 5 9.218 2.520 6.261 30 HA GLN 5 HA GLN 5 9.318 1.144 8.847 31 1HB GLN 5 HB2 GLN 5 11.730 1.783 7.066 32 2HB GLN 5 HB3 GLN 5 11.892 1.633 8.808 33 1HG GLN 5 HG2 GLN 5 10.996 -0.584 6.939 34 2HG GLN 5 HG3 GLN 5 12.579 -0.383 7.681 35 1HE2 GLN 5 HE22 GLN 5 9.236 -1.333 8.281 36 2HE2 GLN 5 HE21 GLN 5 9.534 -2.058 9.854 37 HA PRO 6 HA PRO 6 9.913 5.553 10.172 38 1HB PRO 6 HB2 PRO 6 12.238 4.389 11.702 39 2HB PRO 6 HB3 PRO 6 11.002 5.560 12.256 40 1HG PRO 6 HG2 PRO 6 10.861 2.959 13.013 41 2HG PRO 6 HG3 PRO 6 9.374 3.834 12.520 42 1HD PRO 6 HD2 PRO 6 11.071 1.940 10.878 43 2HD PRO 6 HD3 PRO 6 9.289 2.004 11.033 44 HA PRO 7 HA PRO 7 12.967 6.988 7.384 45 1HB PRO 7 HB2 PRO 7 14.321 8.458 9.650 46 2HB PRO 7 HB3 PRO 7 13.974 9.020 7.987 47 1HG PRO 7 HG2 PRO 7 12.318 9.711 10.034 48 2HG PRO 7 HG3 PRO 7 11.621 9.183 8.468 49 1HD PRO 7 HD2 PRO 7 11.946 7.587 11.014 50 2HD PRO 7 HD3 PRO 7 10.576 7.624 9.863 51 H ASN 8 H ASN 8 14.931 6.477 6.476 52 HA ASN 8 HA ASN 8 17.089 5.370 8.127 53 1HB ASN 8 HB2 ASN 8 15.780 3.348 7.493 54 2HB ASN 8 HB3 ASN 8 15.849 3.842 5.797 55 1HD2 ASN 8 HD22 ASN 8 17.145 2.212 4.943 56 2HD2 ASN 8 HD21 ASN 8 18.812 1.959 5.433 57 H GLN 9 H GLN 9 19.061 5.372 7.012 58 HA GLN 9 HA GLN 9 19.650 7.709 5.547 59 1HB GLN 9 HB2 GLN 9 21.057 6.405 7.197 60 2HB GLN 9 HB3 GLN 9 21.269 5.145 5.973 61 1HG GLN 9 HG2 GLN 9 22.359 6.732 4.494 62 2HG GLN 9 HG3 GLN 9 22.004 8.060 5.623 63 1HE2 GLN 9 HE22 GLN 9 24.411 8.165 5.056 64 2HE2 GLN 9 HE21 GLN 9 25.519 7.423 6.216 65 H ILE 10 H ILE 10 18.733 4.563 4.422 66 HA ILE 10 HA ILE 10 19.588 5.165 1.638 67 HB ILE 10 HB ILE 10 19.649 2.502 3.109 68 1HG1 ILE 10 HG12 ILE 10 21.952 4.211 2.096 69 2HG1 ILE 10 HG13 ILE 10 21.490 4.029 3.786 70 1HG2 ILE 10 HG21 ILE 10 20.637 1.545 1.072 71 2HG2 ILE 10 HG22 ILE 10 19.095 2.253 0.656 72 3HG2 ILE 10 HG23 ILE 10 20.587 3.127 0.265 73 1HD1 ILE 10 HD11 ILE 10 21.946 1.568 3.618 74 2HD1 ILE 10 HD12 ILE 10 22.657 1.871 2.015 75 3HD1 ILE 10 HD13 ILE 10 23.359 2.625 3.452 76 H LEU 11 H LEU 11 18.186 4.517 0.044 77 HA LEU 11 HA LEU 11 15.355 3.955 0.819 78 1HB LEU 11 HB2 LEU 11 16.436 5.733 -1.408 79 2HB LEU 11 HB3 LEU 11 14.741 5.446 -1.038 80 HG LEU 11 HG LEU 11 16.718 6.929 0.755 81 1HD1 LEU 11 HD11 LEU 11 14.454 7.946 -1.008 82 2HD1 LEU 11 HD12 LEU 11 15.427 8.928 0.108 83 3HD1 LEU 11 HD13 LEU 11 16.191 8.163 -1.289 84 1HD2 LEU 11 HD21 LEU 11 15.065 5.887 2.155 85 2HD2 LEU 11 HD22 LEU 11 14.598 7.584 1.992 86 3HD2 LEU 11 HD23 LEU 11 13.745 6.340 1.055 87 H PHE 12 H PHE 12 14.230 2.680 -0.684 88 HA PHE 12 HA PHE 12 15.786 1.373 -2.870 89 1HB PHE 12 HB2 PHE 12 15.159 -0.294 -1.174 90 2HB PHE 12 HB3 PHE 12 13.495 0.292 -1.169 91 HD1 PHE 12 HD1 PHE 12 11.920 -0.932 -2.450 92 HD2 PHE 12 HD2 PHE 12 16.049 -0.888 -3.703 93 HE1 PHE 12 HE1 PHE 12 11.402 -2.558 -4.241 94 HE2 PHE 12 HE2 PHE 12 15.520 -2.492 -5.509 95 HZ PHE 12 HZ PHE 12 13.198 -3.343 -5.782 96 H LEU 13 H LEU 13 14.798 1.525 -4.869 97 HA LEU 13 HA LEU 13 12.313 3.173 -5.049 98 1HB LEU 13 HB2 LEU 13 15.040 3.525 -6.349 99 2HB LEU 13 HB3 LEU 13 13.574 4.037 -7.148 100 HG LEU 13 HG LEU 13 12.990 5.425 -5.110 101 1HD1 LEU 13 HD11 LEU 13 15.107 6.197 -3.837 102 2HD1 LEU 13 HD12 LEU 13 14.409 4.653 -3.368 103 3HD1 LEU 13 HD13 LEU 13 15.849 4.674 -4.390 104 1HD2 LEU 13 HD21 LEU 13 14.416 7.254 -5.863 105 2HD2 LEU 13 HD22 LEU 13 15.512 6.109 -6.664 106 3HD2 LEU 13 HD23 LEU 13 13.844 6.333 -7.246 107 H THR 14 H THR 14 11.077 2.841 -6.831 108 HA THR 14 HA THR 14 11.502 0.458 -8.526 109 HB THR 14 HB THR 14 8.934 0.099 -7.686 110 HG1 THR 14 HG1 THR 14 10.346 1.169 -5.469 111 1HG2 THR 14 HG21 THR 14 10.456 -1.694 -7.709 112 2HG2 THR 14 HG22 THR 14 11.453 -0.971 -6.420 113 3HG2 THR 14 HG23 THR 14 9.820 -1.593 -6.059 114 H ASN 15 H ASN 15 9.603 0.221 -10.042 115 HA ASN 15 HA ASN 15 8.382 0.875 -11.739 116 1HB ASN 15 HB2 ASN 15 6.846 1.629 -9.895 117 2HB ASN 15 HB3 ASN 15 7.503 3.259 -10.076 118 1HD2 ASN 15 HD22 ASN 15 6.035 4.520 -11.192 119 2HD2 ASN 15 HD21 ASN 15 5.032 3.949 -12.519 120 H LEU 16 H LEU 16 11.166 2.024 -11.370 121 HA LEU 16 HA LEU 16 11.225 4.680 -12.479 122 1HB LEU 16 HB2 LEU 16 13.473 2.661 -12.494 123 2HB LEU 16 HB3 LEU 16 13.610 4.402 -12.494 124 HG LEU 16 HG LEU 16 12.650 2.689 -10.165 125 1HD1 LEU 16 HD11 LEU 16 15.231 4.212 -10.586 126 2HD1 LEU 16 HD12 LEU 16 14.757 3.307 -9.126 127 3HD1 LEU 16 HD13 LEU 16 15.032 2.459 -10.660 128 1HD2 LEU 16 HD21 LEU 16 12.506 4.665 -8.852 129 2HD2 LEU 16 HD22 LEU 16 13.311 5.651 -10.087 130 3HD2 LEU 16 HD23 LEU 16 11.643 5.059 -10.313 131 HA PRO 17 HA PRO 17 11.070 3.962 -16.886 132 1HB PRO 17 HB2 PRO 17 13.787 5.163 -17.176 133 2HB PRO 17 HB3 PRO 17 12.263 5.572 -18.014 134 1HG PRO 17 HG2 PRO 17 13.379 7.036 -15.950 135 2HG PRO 17 HG3 PRO 17 11.627 7.017 -16.299 136 1HD PRO 17 HD2 PRO 17 13.053 5.795 -14.049 137 2HD PRO 17 HD3 PRO 17 11.332 6.156 -14.232 138 H GLU 18 H GLU 18 11.799 2.394 -18.393 139 HA GLU 18 HA GLU 18 13.660 0.360 -17.578 140 1HB GLU 18 HB2 GLU 18 13.319 -0.531 -19.833 141 2HB GLU 18 HB3 GLU 18 11.783 -0.087 -19.089 142 1HG GLU 18 HG2 GLU 18 11.743 2.026 -20.395 143 2HG GLU 18 HG3 GLU 18 13.294 1.614 -21.127 144 H GLU 19 H GLU 19 14.251 3.480 -18.619 145 HA GLU 19 HA GLU 19 16.860 2.837 -19.724 146 1HB GLU 19 HB2 GLU 19 16.633 4.886 -21.060 147 2HB GLU 19 HB3 GLU 19 15.272 3.799 -21.332 148 1HG GLU 19 HG2 GLU 19 13.854 5.148 -19.830 149 2HG GLU 19 HG3 GLU 19 15.200 6.238 -19.501 150 H THR 20 H THR 20 15.835 3.517 -16.790 151 HA THR 20 HA THR 20 16.942 6.033 -16.063 152 HB THR 20 HB THR 20 16.737 3.605 -14.246 153 HG1 THR 20 HG1 THR 20 14.743 3.692 -15.084 154 1HG2 THR 20 HG21 THR 20 16.088 5.341 -12.579 155 2HG2 THR 20 HG22 THR 20 17.710 5.665 -13.213 156 3HG2 THR 20 HG23 THR 20 16.315 6.608 -13.797 157 H ASN 21 H ASN 21 18.936 6.557 -15.143 158 HA ASN 21 HA ASN 21 21.086 4.548 -15.187 159 1HB ASN 21 HB2 ASN 21 21.255 5.711 -17.370 160 2HB ASN 21 HB3 ASN 21 21.184 7.281 -16.567 161 1HD2 ASN 21 HD22 ASN 21 23.219 4.344 -16.993 162 2HD2 ASN 21 HD21 ASN 21 24.698 5.114 -16.487 163 H GLU 22 H GLU 22 22.843 5.240 -13.756 164 HA GLU 22 HA GLU 22 22.101 6.244 -11.281 165 1HB GLU 22 HB2 GLU 22 24.138 4.896 -11.989 166 2HB GLU 22 HB3 GLU 22 24.860 6.402 -12.563 167 1HG GLU 22 HG2 GLU 22 24.633 7.313 -10.211 168 2HG GLU 22 HG3 GLU 22 24.046 5.721 -9.710 169 H MET 23 H MET 23 23.375 8.050 -14.068 170 HA MET 23 HA MET 23 23.837 10.504 -12.734 171 1HB MET 23 HB2 MET 23 24.685 9.809 -15.000 172 2HB MET 23 HB3 MET 23 23.051 10.059 -15.639 173 1HG MET 23 HG2 MET 23 23.185 12.455 -14.968 174 2HG MET 23 HG3 MET 23 24.783 12.168 -14.285 175 1HE MET 23 HE1 MET 23 22.610 12.553 -17.509 176 2HE MET 23 HE2 MET 23 23.769 12.242 -18.818 177 3HE MET 23 HE3 MET 23 23.221 10.904 -17.792 178 H MET 24 H MET 24 20.836 9.131 -14.053 179 HA MET 24 HA MET 24 19.355 11.609 -14.174 180 1HB MET 24 HB2 MET 24 18.294 8.744 -13.871 181 2HB MET 24 HB3 MET 24 17.339 10.181 -14.238 182 1HG MET 24 HG2 MET 24 18.726 10.507 -16.294 183 2HG MET 24 HG3 MET 24 19.518 8.960 -15.938 184 1HE MET 24 HE1 MET 24 18.219 9.534 -18.733 185 2HE MET 24 HE2 MET 24 18.934 7.962 -18.301 186 3HE MET 24 HE3 MET 24 17.315 8.032 -19.026 187 H LEU 25 H LEU 25 19.457 8.938 -11.805 188 HA LEU 25 HA LEU 25 17.705 10.370 -9.997 189 1HB LEU 25 HB2 LEU 25 19.559 8.054 -9.368 190 2HB LEU 25 HB3 LEU 25 18.239 8.640 -8.362 191 HG LEU 25 HG LEU 25 18.066 7.204 -11.040 192 1HD1 LEU 25 HD11 LEU 25 16.993 6.616 -8.255 193 2HD1 LEU 25 HD12 LEU 25 16.743 5.604 -9.697 194 3HD1 LEU 25 HD13 LEU 25 18.370 5.822 -9.042 195 1HD2 LEU 25 HD21 LEU 25 15.882 8.721 -9.564 196 2HD2 LEU 25 HD22 LEU 25 16.405 8.913 -11.257 197 3HD2 LEU 25 HD23 LEU 25 15.552 7.447 -10.773 198 H SER 26 H SER 26 21.265 10.130 -10.374 199 HA SER 26 HA SER 26 21.911 11.452 -7.949 200 1HB SER 26 HB2 SER 26 23.379 11.558 -10.616 201 2HB SER 26 HB3 SER 26 24.033 12.035 -9.037 202 HG SER 26 HG SER 26 23.232 9.465 -9.929 203 H MET 27 H MET 27 21.281 12.862 -11.255 204 HA MET 27 HA MET 27 21.586 15.515 -10.241 205 1HB MET 27 HB2 MET 27 20.756 16.346 -12.294 206 2HB MET 27 HB3 MET 27 21.821 14.983 -12.626 207 1HG MET 27 HG2 MET 27 19.887 13.556 -13.079 208 2HG MET 27 HG3 MET 27 18.778 14.846 -12.611 209 1HE MET 27 HE1 MET 27 22.029 14.702 -14.962 210 2HE MET 27 HE2 MET 27 21.022 13.282 -15.335 211 3HE MET 27 HE3 MET 27 21.213 14.580 -16.534 212 H LEU 28 H LEU 28 18.728 13.360 -10.314 213 HA LEU 28 HA LEU 28 16.898 15.466 -9.563 214 1HB LEU 28 HB2 LEU 28 16.745 12.442 -9.295 215 2HB LEU 28 HB3 LEU 28 15.444 13.521 -8.800 216 HG LEU 28 HG LEU 28 16.533 13.346 -11.639 217 1HD1 LEU 28 HD11 LEU 28 13.939 12.265 -10.462 218 2HD1 LEU 28 HD12 LEU 28 14.451 12.167 -12.161 219 3HD1 LEU 28 HD13 LEU 28 15.351 11.285 -10.922 220 1HD2 LEU 28 HD21 LEU 28 14.483 14.618 -12.239 221 2HD2 LEU 28 HD22 LEU 28 14.141 14.852 -10.509 222 3HD2 LEU 28 HD23 LEU 28 15.592 15.559 -11.256 223 H PHE 29 H PHE 29 18.411 12.881 -7.556 224 HA PHE 29 HA PHE 29 17.260 14.088 -5.180 225 1HB PHE 29 HB2 PHE 29 19.204 11.792 -5.626 226 2HB PHE 29 HB3 PHE 29 18.760 12.378 -4.027 227 HD1 PHE 29 HD1 PHE 29 16.820 11.767 -2.918 228 HD2 PHE 29 HD2 PHE 29 17.255 10.834 -7.099 229 HE1 PHE 29 HE1 PHE 29 14.794 10.346 -2.804 230 HE2 PHE 29 HE2 PHE 29 15.250 9.395 -6.979 231 HZ PHE 29 HZ PHE 29 14.003 9.172 -4.843 232 H ASN 30 H ASN 30 20.477 14.452 -6.746 233 HA ASN 30 HA ASN 30 21.812 15.379 -4.440 234 1HB ASN 30 HB2 ASN 30 22.985 14.651 -6.422 235 2HB ASN 30 HB3 ASN 30 22.384 16.056 -7.325 236 1HD2 ASN 30 HD22 ASN 30 24.014 17.588 -7.540 237 2HD2 ASN 30 HD21 ASN 30 25.203 17.948 -6.318 238 H GLN 31 H GLN 31 19.266 16.929 -6.131 239 HA GLN 31 HA GLN 31 19.836 19.670 -5.724 240 1HB GLN 31 HB2 GLN 31 17.207 18.130 -5.602 241 2HB GLN 31 HB3 GLN 31 17.333 19.892 -5.609 242 1HG GLN 31 HG2 GLN 31 18.434 19.841 -7.820 243 2HG GLN 31 HG3 GLN 31 18.322 18.079 -7.847 244 1HE2 GLN 31 HE22 GLN 31 16.064 17.137 -7.620 245 2HE2 GLN 31 HE21 GLN 31 14.732 18.007 -8.376 246 H PHE 32 H PHE 32 18.904 17.084 -3.436 247 HA PHE 32 HA PHE 32 18.223 19.007 -1.335 248 1HB PHE 32 HB2 PHE 32 18.536 15.997 -1.152 249 2HB PHE 32 HB3 PHE 32 17.722 17.047 0.002 250 HD1 PHE 32 HD1 PHE 32 17.185 14.786 -2.616 251 HD2 PHE 32 HD2 PHE 32 15.760 18.595 -1.190 252 HE1 PHE 32 HE1 PHE 32 15.146 14.522 -3.976 253 HE2 PHE 32 HE2 PHE 32 13.712 18.330 -2.569 254 HZ PHE 32 HZ PHE 32 13.429 16.305 -4.001 255 HA PRO 33 HA PRO 33 22.472 19.253 -0.095 256 1HB PRO 33 HB2 PRO 33 22.299 20.611 2.267 257 2HB PRO 33 HB3 PRO 33 21.771 21.309 0.715 258 1HG PRO 33 HG2 PRO 33 20.039 19.914 2.784 259 2HG PRO 33 HG3 PRO 33 19.789 21.529 2.046 260 1HD PRO 33 HD2 PRO 33 18.565 19.295 1.070 261 2HD PRO 33 HD3 PRO 33 19.143 20.599 -0.014 262 H GLY 34 H GLY 34 21.376 16.635 0.358 263 1HA GLY 34 HA2 GLY 34 23.063 15.710 2.604 264 2HA GLY 34 HA3 GLY 34 21.330 15.333 2.658 265 H PHE 35 H PHE 35 21.978 15.257 -0.629 266 HA PHE 35 HA PHE 35 21.794 12.484 -0.916 267 1HB PHE 35 HB2 PHE 35 21.249 14.094 -2.637 268 2HB PHE 35 HB3 PHE 35 22.881 14.759 -2.612 269 HD1 PHE 35 HD1 PHE 35 20.793 11.948 -3.746 270 HD2 PHE 35 HD2 PHE 35 24.758 13.627 -3.741 271 HE1 PHE 35 HE1 PHE 35 21.396 10.527 -5.681 272 HE2 PHE 35 HE2 PHE 35 25.395 12.089 -5.602 273 HZ PHE 35 HZ PHE 35 23.692 10.609 -6.605 274 H LYS 36 H LYS 36 23.325 10.951 -1.450 275 HA LYS 36 HA LYS 36 26.184 11.690 -1.183 276 1HB LYS 36 HB2 LYS 36 24.922 10.712 0.983 277 2HB LYS 36 HB3 LYS 36 25.325 9.175 0.206 278 1HG LYS 36 HG2 LYS 36 27.728 9.882 0.161 279 2HG LYS 36 HG3 LYS 36 27.269 11.467 0.797 280 1HD LYS 36 HD2 LYS 36 28.209 10.145 2.598 281 2HD LYS 36 HD3 LYS 36 26.509 10.482 2.896 282 1HE LYS 36 HE2 LYS 36 26.930 8.187 3.516 283 2HE LYS 36 HE3 LYS 36 25.915 8.203 2.077 284 1HZ LYS 36 HZ1 LYS 36 28.116 7.912 0.826 285 2HZ LYS 36 HZ2 LYS 36 28.770 7.493 2.272 286 3HZ LYS 36 HZ3 LYS 36 27.516 6.632 1.625 287 H GLU 37 H GLU 37 23.894 9.002 -2.195 288 HA GLU 37 HA GLU 37 25.602 8.620 -4.523 289 1HB GLU 37 HB2 GLU 37 26.590 7.342 -2.366 290 2HB GLU 37 HB3 GLU 37 25.347 6.162 -2.762 291 1HG GLU 37 HG2 GLU 37 26.329 5.898 -5.027 292 2HG GLU 37 HG3 GLU 37 27.486 7.181 -4.686 293 H VAL 38 H VAL 38 24.809 6.817 -5.920 294 HA VAL 38 HA VAL 38 22.033 5.858 -5.496 295 HB VAL 38 HB VAL 38 23.234 7.103 -8.011 296 1HG1 VAL 38 HG11 VAL 38 20.495 5.786 -7.746 297 2HG1 VAL 38 HG12 VAL 38 21.133 6.659 -9.166 298 3HG1 VAL 38 HG13 VAL 38 21.863 5.156 -8.696 299 1HG2 VAL 38 HG21 VAL 38 21.378 8.692 -7.886 300 2HG2 VAL 38 HG22 VAL 38 20.811 7.936 -6.378 301 3HG2 VAL 38 HG23 VAL 38 22.386 8.745 -6.447 302 H ARG 39 H ARG 39 21.696 3.775 -6.430 303 HA ARG 39 HA ARG 39 23.848 2.540 -8.026 304 1HB ARG 39 HB2 ARG 39 24.351 1.839 -5.730 305 2HB ARG 39 HB3 ARG 39 22.687 1.335 -5.472 306 1HG ARG 39 HG2 ARG 39 24.209 -0.549 -5.809 307 2HG ARG 39 HG3 ARG 39 22.937 -0.524 -7.027 308 1HD ARG 39 HD2 ARG 39 24.444 0.140 -8.758 309 2HD ARG 39 HD3 ARG 39 25.632 0.741 -7.595 310 HE ARG 39 HE ARG 39 26.557 -1.296 -7.401 311 1HH1 ARG 39 HH21 ARG 39 23.408 -1.808 -9.006 312 2HH1 ARG 39 HH22 ARG 39 23.638 -3.522 -9.139 313 1HH2 ARG 39 HH11 ARG 39 26.869 -3.530 -7.698 314 2HH2 ARG 39 HH12 ARG 39 25.670 -4.498 -8.464 315 H LEU 40 H LEU 40 22.703 2.178 -9.890 316 HA LEU 40 HA LEU 40 19.850 1.439 -9.887 317 1HB LEU 40 HB2 LEU 40 21.998 1.929 -11.983 318 2HB LEU 40 HB3 LEU 40 20.650 0.908 -12.424 319 HG LEU 40 HG LEU 40 20.429 3.288 -13.102 320 1HD1 LEU 40 HD11 LEU 40 18.009 3.451 -12.335 321 2HD1 LEU 40 HD12 LEU 40 18.481 1.957 -13.153 322 3HD1 LEU 40 HD13 LEU 40 18.285 1.985 -11.395 323 1HD2 LEU 40 HD21 LEU 40 19.812 5.006 -11.552 324 2HD2 LEU 40 HD22 LEU 40 19.786 3.870 -10.187 325 3HD2 LEU 40 HD23 LEU 40 21.323 4.275 -10.975 326 H VAL 41 H VAL 41 19.324 -0.605 -11.103 327 HA VAL 41 HA VAL 41 21.243 -2.812 -10.506 328 HB VAL 41 HB VAL 41 18.225 -2.911 -10.756 329 1HG1 VAL 41 HG11 VAL 41 18.492 -5.283 -10.067 330 2HG1 VAL 41 HG12 VAL 41 19.244 -4.975 -11.629 331 3HG1 VAL 41 HG13 VAL 41 20.256 -5.116 -10.172 332 1HG2 VAL 41 HG21 VAL 41 20.101 -3.213 -8.365 333 2HG2 VAL 41 HG22 VAL 41 18.879 -1.948 -8.609 334 3HG2 VAL 41 HG23 VAL 41 18.376 -3.619 -8.343 335 HA PRO 42 HA PRO 42 21.368 -1.843 -14.913 336 1HB PRO 42 HB2 PRO 42 23.856 -2.888 -15.574 337 2HB PRO 42 HB3 PRO 42 23.599 -1.366 -14.680 338 1HG PRO 42 HG2 PRO 42 24.100 -4.129 -13.528 339 2HG PRO 42 HG3 PRO 42 24.959 -2.599 -13.146 340 1HD PRO 42 HD2 PRO 42 22.945 -3.479 -11.581 341 2HD PRO 42 HD3 PRO 42 23.065 -1.732 -11.980 342 H ASN 43 H ASN 43 20.067 -4.211 -13.948 343 HA ASN 43 HA ASN 43 19.717 -5.508 -16.507 344 1HB ASN 43 HB2 ASN 43 19.560 -7.759 -15.678 345 2HB ASN 43 HB3 ASN 43 21.125 -7.116 -15.209 346 1HD2 ASN 43 HD22 ASN 43 21.603 -6.937 -12.953 347 2HD2 ASN 43 HD21 ASN 43 20.495 -7.462 -11.714 348 H ARG 44 H ARG 44 18.360 -3.955 -13.781 349 HA ARG 44 HA ARG 44 15.694 -4.192 -14.874 350 1HB ARG 44 HB2 ARG 44 16.496 -5.148 -12.092 351 2HB ARG 44 HB3 ARG 44 14.996 -4.271 -12.321 352 1HG ARG 44 HG2 ARG 44 14.394 -5.978 -14.153 353 2HG ARG 44 HG3 ARG 44 15.743 -6.942 -13.522 354 1HD ARG 44 HD2 ARG 44 13.693 -7.663 -12.445 355 2HD ARG 44 HD3 ARG 44 14.692 -6.813 -11.243 356 HE ARG 44 HE ARG 44 13.036 -4.861 -12.367 357 1HH1 ARG 44 HH21 ARG 44 12.589 -7.834 -10.452 358 2HH1 ARG 44 HH22 ARG 44 11.143 -7.292 -9.686 359 1HH2 ARG 44 HH11 ARG 44 11.102 -4.154 -11.394 360 2HH2 ARG 44 HH12 ARG 44 10.273 -5.151 -10.235 361 H HIS 45 H HIS 45 16.857 -2.080 -15.552 362 HA HIS 45 HA HIS 45 17.597 -0.133 -13.709 363 1HB HIS 45 HB2 HIS 45 16.069 0.401 -16.296 364 2HB HIS 45 HB3 HIS 45 17.171 1.498 -15.477 365 HD1 HIS 45 HD1 HIS 45 17.308 -0.026 -18.530 366 HD2 HIS 45 HD2 HIS 45 19.721 -0.365 -15.093 367 HE1 HIS 45 HE1 HIS 45 19.571 -0.922 -19.320 368 H ASP 46 H ASP 46 14.458 -1.503 -13.953 369 HA ASP 46 HA ASP 46 12.870 0.870 -13.477 370 1HB ASP 46 HB2 ASP 46 11.010 -0.498 -13.495 371 2HB ASP 46 HB3 ASP 46 12.064 -1.212 -14.710 372 H ILE 47 H ILE 47 14.985 -0.975 -11.538 373 HA ILE 47 HA ILE 47 13.772 0.265 -9.156 374 HB ILE 47 HB ILE 47 14.256 -1.610 -7.796 375 1HG1 ILE 47 HG12 ILE 47 16.012 -2.448 -10.043 376 2HG1 ILE 47 HG13 ILE 47 16.271 -2.484 -8.308 377 1HG2 ILE 47 HG21 ILE 47 12.172 -1.717 -9.207 378 2HG2 ILE 47 HG22 ILE 47 13.025 -2.821 -10.293 379 3HG2 ILE 47 HG23 ILE 47 12.735 -3.277 -8.599 380 1HD1 ILE 47 HD11 ILE 47 16.251 -4.711 -9.229 381 2HD1 ILE 47 HD12 ILE 47 14.800 -4.506 -8.213 382 3HD1 ILE 47 HD13 ILE 47 14.689 -4.422 -10.008 383 H ALA 48 H ALA 48 15.399 0.610 -7.420 384 HA ALA 48 HA ALA 48 18.224 0.655 -8.059 385 1HB ALA 48 HB1 ALA 48 17.396 2.645 -9.422 386 2HB ALA 48 HB2 ALA 48 16.808 3.366 -7.913 387 3HB ALA 48 HB3 ALA 48 18.538 3.083 -8.150 388 H PHE 49 H PHE 49 19.371 2.089 -6.363 389 HA PHE 49 HA PHE 49 17.867 2.349 -3.844 390 1HB PHE 49 HB2 PHE 49 20.668 1.192 -4.172 391 2HB PHE 49 HB3 PHE 49 19.991 1.716 -2.641 392 HD1 PHE 49 HD1 PHE 49 19.684 -0.825 -5.356 393 HD2 PHE 49 HD2 PHE 49 18.453 0.350 -1.390 394 HE1 PHE 49 HE1 PHE 49 18.724 -3.086 -4.983 395 HE2 PHE 49 HE2 PHE 49 17.534 -1.925 -1.006 396 HZ PHE 49 HZ PHE 49 17.669 -3.645 -2.799 397 H VAL 50 H VAL 50 18.586 4.159 -2.608 398 HA VAL 50 HA VAL 50 20.614 5.966 -3.819 399 HB VAL 50 HB VAL 50 17.809 6.801 -2.954 400 1HG1 VAL 50 HG11 VAL 50 18.419 9.017 -3.875 401 2HG1 VAL 50 HG12 VAL 50 19.454 8.571 -2.515 402 3HG1 VAL 50 HG13 VAL 50 20.074 8.440 -4.171 403 1HG2 VAL 50 HG21 VAL 50 17.693 5.661 -5.121 404 2HG2 VAL 50 HG22 VAL 50 17.423 7.393 -5.322 405 3HG2 VAL 50 HG23 VAL 50 18.993 6.674 -5.756 406 H GLU 51 H GLU 51 21.667 7.282 -2.193 407 HA GLU 51 HA GLU 51 21.211 6.432 0.626 408 1HB GLU 51 HB2 GLU 51 22.820 4.921 -0.341 409 2HB GLU 51 HB3 GLU 51 23.717 6.244 -1.095 410 1HG GLU 51 HG2 GLU 51 24.454 7.087 1.033 411 2HG GLU 51 HG3 GLU 51 23.442 5.947 1.920 412 H PHE 52 H PHE 52 21.722 7.959 2.128 413 HA PHE 52 HA PHE 52 22.514 10.674 1.167 414 1HB PHE 52 HB2 PHE 52 20.180 9.662 2.777 415 2HB PHE 52 HB3 PHE 52 20.850 11.203 3.212 416 HD1 PHE 52 HD1 PHE 52 19.994 13.109 2.277 417 HD2 PHE 52 HD2 PHE 52 19.743 9.439 0.036 418 HE1 PHE 52 HE1 PHE 52 18.843 14.309 0.447 419 HE2 PHE 52 HE2 PHE 52 18.637 10.653 -1.814 420 HZ PHE 52 HZ PHE 52 18.226 13.097 -1.631 421 H THR 53 H THR 53 23.121 12.092 2.962 422 HA THR 53 HA THR 53 25.158 11.093 4.723 423 HB THR 53 HB THR 53 23.559 13.693 4.592 424 HG1 THR 53 HG1 THR 53 24.804 13.360 2.784 425 1HG2 THR 53 HG21 THR 53 26.061 13.050 6.199 426 2HG2 THR 53 HG22 THR 53 25.434 14.692 5.898 427 3HG2 THR 53 HG23 THR 53 24.466 13.533 6.820 428 H THR 54 H THR 54 21.735 12.163 5.245 429 HA THR 54 HA THR 54 21.751 10.776 7.858 430 HB THR 54 HB THR 54 20.255 13.014 8.327 431 HG1 THR 54 HG1 THR 54 21.507 14.771 7.607 432 1HG2 THR 54 HG21 THR 54 23.262 12.747 8.682 433 2HG2 THR 54 HG22 THR 54 22.201 13.880 9.558 434 3HG2 THR 54 HG23 THR 54 22.003 12.135 9.778 435 H GLU 55 H GLU 55 19.935 10.034 8.549 436 HA GLU 55 HA GLU 55 18.197 8.789 6.726 437 1HB GLU 55 HB2 GLU 55 17.561 9.321 9.664 438 2HB GLU 55 HB3 GLU 55 16.959 8.026 8.642 439 1HG GLU 55 HG2 GLU 55 18.532 6.832 9.714 440 2HG GLU 55 HG3 GLU 55 19.577 7.461 8.437 441 H LEU 56 H LEU 56 17.824 11.745 8.577 442 HA LEU 56 HA LEU 56 15.017 12.119 8.031 443 1HB LEU 56 HB2 LEU 56 17.168 14.076 8.910 444 2HB LEU 56 HB3 LEU 56 15.416 14.355 8.968 445 HG LEU 56 HG LEU 56 17.108 12.456 10.634 446 1HD1 LEU 56 HD11 LEU 56 16.158 13.685 12.519 447 2HD1 LEU 56 HD12 LEU 56 16.920 14.799 11.374 448 3HD1 LEU 56 HD13 LEU 56 15.149 14.649 11.416 449 1HD2 LEU 56 HD21 LEU 56 15.019 11.669 11.749 450 2HD2 LEU 56 HD22 LEU 56 14.070 12.429 10.451 451 3HD2 LEU 56 HD23 LEU 56 15.193 11.086 10.100 452 H GLN 57 H GLN 57 18.021 12.958 6.318 453 HA GLN 57 HA GLN 57 16.613 14.838 4.556 454 1HB GLN 57 HB2 GLN 57 19.463 13.768 4.456 455 2HB GLN 57 HB3 GLN 57 18.754 14.978 3.369 456 1HG GLN 57 HG2 GLN 57 18.157 16.293 5.538 457 2HG GLN 57 HG3 GLN 57 19.308 15.224 6.342 458 1HE2 GLN 57 HE22 GLN 57 21.605 15.323 5.615 459 2HE2 GLN 57 HE21 GLN 57 22.179 16.755 4.760 460 H SER 58 H SER 58 17.834 11.375 4.365 461 HA SER 58 HA SER 58 16.883 11.001 1.699 462 1HB SER 58 HB2 SER 58 16.567 8.552 2.698 463 2HB SER 58 HB3 SER 58 18.145 9.216 2.306 464 HG SER 58 HG SER 58 17.339 8.291 4.605 465 H ASN 59 H ASN 59 15.243 10.718 4.910 466 HA ASN 59 HA ASN 59 12.689 10.003 3.967 467 1HB ASN 59 HB2 ASN 59 12.934 10.001 6.293 468 2HB ASN 59 HB3 ASN 59 13.637 11.601 6.339 469 1HD2 ASN 59 HD22 ASN 59 12.295 13.383 6.695 470 2HD2 ASN 59 HD21 ASN 59 10.554 13.269 6.756 471 H ALA 60 H ALA 60 13.899 13.369 4.437 472 HA ALA 60 HA ALA 60 11.535 14.521 3.390 473 1HB ALA 60 HB1 ALA 60 12.834 16.579 3.153 474 2HB ALA 60 HB2 ALA 60 13.170 15.781 4.701 475 3HB ALA 60 HB3 ALA 60 14.351 15.671 3.366 476 H ALA 61 H ALA 61 14.515 13.566 1.677 477 HA ALA 61 HA ALA 61 13.750 14.528 -0.895 478 1HB ALA 61 HB1 ALA 61 15.521 12.150 -0.167 479 2HB ALA 61 HB2 ALA 61 15.442 12.990 -1.728 480 3HB ALA 61 HB3 ALA 61 16.052 13.845 -0.295 481 H LYS 62 H LYS 62 13.192 11.362 0.722 482 HA LYS 62 HA LYS 62 11.880 10.075 -1.446 483 1HB LYS 62 HB2 LYS 62 12.618 8.727 0.343 484 2HB LYS 62 HB3 LYS 62 11.872 9.737 1.570 485 1HG LYS 62 HG2 LYS 62 9.664 8.997 1.013 486 2HG LYS 62 HG3 LYS 62 10.240 8.112 -0.401 487 1HD LYS 62 HD2 LYS 62 11.429 6.526 0.953 488 2HD LYS 62 HD3 LYS 62 11.227 7.488 2.418 489 1HE LYS 62 HE2 LYS 62 8.879 6.315 0.856 490 2HE LYS 62 HE3 LYS 62 9.716 5.442 2.145 491 1HZ LYS 62 HZ1 LYS 62 8.258 8.006 2.524 492 2HZ LYS 62 HZ2 LYS 62 7.858 6.456 3.038 493 3HZ LYS 62 HZ3 LYS 62 9.153 7.228 3.655 494 H GLU 63 H GLU 63 10.471 11.948 1.337 495 HA GLU 63 HA GLU 63 7.826 11.700 0.343 496 1HB GLU 63 HB2 GLU 63 9.004 13.897 2.092 497 2HB GLU 63 HB3 GLU 63 7.285 13.586 1.861 498 1HG GLU 63 HG2 GLU 63 9.300 11.766 3.231 499 2HG GLU 63 HG3 GLU 63 8.018 12.673 3.984 500 H ALA 64 H ALA 64 10.372 14.023 -0.471 501 HA ALA 64 HA ALA 64 8.718 15.833 -1.948 502 1HB ALA 64 HB1 ALA 64 10.853 16.680 -2.824 503 2HB ALA 64 HB2 ALA 64 10.952 16.420 -1.069 504 3HB ALA 64 HB3 ALA 64 11.702 15.259 -2.190 505 H LEU 65 H LEU 65 10.648 12.944 -2.988 506 HA LEU 65 HA LEU 65 9.750 13.450 -5.782 507 1HB LEU 65 HB2 LEU 65 12.059 11.814 -4.687 508 2HB LEU 65 HB3 LEU 65 11.609 11.899 -6.385 509 HG LEU 65 HG LEU 65 12.606 14.215 -4.699 510 1HD1 LEU 65 HD11 LEU 65 13.820 12.702 -7.056 511 2HD1 LEU 65 HD12 LEU 65 14.538 14.122 -6.264 512 3HD1 LEU 65 HD13 LEU 65 14.340 12.609 -5.364 513 1HD2 LEU 65 HD21 LEU 65 12.656 15.494 -6.851 514 2HD2 LEU 65 HD22 LEU 65 11.754 14.177 -7.631 515 3HD2 LEU 65 HD23 LEU 65 11.018 15.132 -6.323 516 H GLN 66 H GLN 66 8.727 11.392 -3.283 517 HA GLN 66 HA GLN 66 8.044 9.107 -4.838 518 1HB GLN 66 HB2 GLN 66 6.755 10.499 -2.474 519 2HB GLN 66 HB3 GLN 66 5.846 9.265 -3.353 520 1HG GLN 66 HG2 GLN 66 7.704 7.647 -3.034 521 2HG GLN 66 HG3 GLN 66 8.541 8.815 -2.020 522 1HE2 GLN 66 HE22 GLN 66 7.310 6.068 -1.401 523 2HE2 GLN 66 HE21 GLN 66 6.186 6.378 -0.102 524 H GLY 67 H GLY 67 6.758 8.832 -6.504 525 1HA GLY 67 HA2 GLY 67 5.018 9.086 -7.976 526 2HA GLY 67 HA3 GLY 67 4.465 10.527 -7.121 527 H PHE 68 H PHE 68 7.789 10.987 -7.820 528 HA PHE 68 HA PHE 68 7.185 13.079 -9.690 529 1HB PHE 68 HB2 PHE 68 9.031 13.163 -8.052 530 2HB PHE 68 HB3 PHE 68 9.810 11.788 -8.827 531 HD1 PHE 68 HD1 PHE 68 9.027 15.396 -9.109 532 HD2 PHE 68 HD2 PHE 68 11.031 12.034 -10.933 533 HE1 PHE 68 HE1 PHE 68 10.278 16.942 -10.594 534 HE2 PHE 68 HE2 PHE 68 12.259 13.585 -12.428 535 HZ PHE 68 HZ PHE 68 11.893 16.040 -12.259 536 H LYS 69 H LYS 69 6.916 12.863 -11.872 537 HA LYS 69 HA LYS 69 7.431 10.384 -13.309 538 1HB LYS 69 HB2 LYS 69 6.475 13.126 -14.060 539 2HB LYS 69 HB3 LYS 69 7.425 12.283 -15.282 540 1HG LYS 69 HG2 LYS 69 5.192 11.748 -15.740 541 2HG LYS 69 HG3 LYS 69 5.974 10.307 -15.112 542 1HD LYS 69 HD2 LYS 69 4.980 10.834 -12.832 543 2HD LYS 69 HD3 LYS 69 4.024 12.101 -13.604 544 1HE LYS 69 HE2 LYS 69 4.048 9.158 -14.434 545 2HE LYS 69 HE3 LYS 69 2.880 9.851 -13.295 546 1HZ LYS 69 HZ1 LYS 69 2.199 11.377 -15.133 547 2HZ LYS 69 HZ2 LYS 69 3.124 10.489 -16.173 548 3HZ LYS 69 HZ3 LYS 69 1.863 9.809 -15.406 549 H ILE 70 H ILE 70 9.415 9.612 -13.468 550 HA ILE 70 HA ILE 70 11.785 11.352 -13.771 551 HB ILE 70 HB ILE 70 11.438 8.364 -14.144 552 1HG1 ILE 70 HG12 ILE 70 12.717 9.825 -11.795 553 2HG1 ILE 70 HG13 ILE 70 11.038 9.294 -11.783 554 1HG2 ILE 70 HG21 ILE 70 13.939 8.345 -14.028 555 2HG2 ILE 70 HG22 ILE 70 13.375 9.331 -15.381 556 3HG2 ILE 70 HG23 ILE 70 13.934 10.116 -13.891 557 1HD1 ILE 70 HD11 ILE 70 13.420 7.430 -12.085 558 2HD1 ILE 70 HD12 ILE 70 12.415 7.665 -10.653 559 3HD1 ILE 70 HD13 ILE 70 11.698 6.963 -12.104 560 H THR 71 H THR 71 9.642 9.203 -15.754 561 HA THR 71 HA THR 71 9.989 11.029 -18.022 562 HB THR 71 HB THR 71 9.850 9.052 -19.561 563 HG1 THR 71 HG1 THR 71 10.205 7.030 -18.796 564 1HG2 THR 71 HG21 THR 71 12.314 8.931 -17.768 565 2HG2 THR 71 HG22 THR 71 12.185 8.342 -19.437 566 3HG2 THR 71 HG23 THR 71 12.070 10.078 -19.102 567 HA PRO 72 HA PRO 72 5.821 11.582 -17.991 568 1HB PRO 72 HB2 PRO 72 5.444 10.156 -20.635 569 2HB PRO 72 HB3 PRO 72 4.724 11.706 -20.082 570 1HG PRO 72 HG2 PRO 72 6.916 11.749 -21.654 571 2HG PRO 72 HG3 PRO 72 6.845 12.818 -20.214 572 1HD PRO 72 HD2 PRO 72 8.281 10.188 -20.542 573 2HD PRO 72 HD3 PRO 72 8.829 11.686 -19.730 574 H THR 73 H THR 73 6.531 8.151 -18.432 575 HA THR 73 HA THR 73 3.874 7.439 -17.325 576 HB THR 73 HB THR 73 4.298 5.287 -18.687 577 HG1 THR 73 HG1 THR 73 5.810 5.429 -20.304 578 1HG2 THR 73 HG21 THR 73 3.486 6.249 -20.780 579 2HG2 THR 73 HG22 THR 73 2.699 7.055 -19.415 580 3HG2 THR 73 HG23 THR 73 4.011 7.874 -20.289 581 H HIS 74 H HIS 74 6.799 7.902 -16.149 582 HA HIS 74 HA HIS 74 6.773 5.430 -14.485 583 1HB HIS 74 HB2 HIS 74 9.145 6.692 -15.874 584 2HB HIS 74 HB3 HIS 74 9.265 5.617 -14.479 585 HD1 HIS 74 HD1 HIS 74 8.667 3.067 -14.794 586 HD2 HIS 74 HD2 HIS 74 8.401 5.476 -18.237 587 HE1 HIS 74 HE1 HIS 74 8.477 1.464 -16.782 588 H ALA 75 H ALA 75 5.487 6.754 -13.168 589 HA ALA 75 HA ALA 75 6.618 8.987 -11.687 590 1HB ALA 75 HB1 ALA 75 4.174 8.625 -11.783 591 2HB ALA 75 HB2 ALA 75 4.362 7.031 -11.019 592 3HB ALA 75 HB3 ALA 75 4.757 8.505 -10.119 593 H MET 76 H MET 76 8.431 8.671 -10.542 594 HA MET 76 HA MET 76 9.690 6.380 -9.678 595 1HB MET 76 HB2 MET 76 10.517 8.755 -9.696 596 2HB MET 76 HB3 MET 76 9.526 9.096 -8.284 597 1HG MET 76 HG2 MET 76 10.782 7.350 -7.027 598 2HG MET 76 HG3 MET 76 11.820 7.107 -8.432 599 1HE MET 76 HE1 MET 76 12.151 10.294 -9.418 600 2HE MET 76 HE2 MET 76 13.654 10.692 -8.564 601 3HE MET 76 HE3 MET 76 13.501 9.129 -9.388 602 H LYS 77 H LYS 77 9.232 4.820 -8.137 603 HA LYS 77 HA LYS 77 7.397 5.551 -5.901 604 1HB LYS 77 HB2 LYS 77 6.591 3.724 -7.370 605 2HB LYS 77 HB3 LYS 77 8.103 2.834 -7.077 606 1HG LYS 77 HG2 LYS 77 7.590 2.516 -4.774 607 2HG LYS 77 HG3 LYS 77 6.291 3.712 -4.805 608 1HD LYS 77 HD2 LYS 77 5.511 1.341 -4.705 609 2HD LYS 77 HD3 LYS 77 4.835 2.280 -6.043 610 1HE LYS 77 HE2 LYS 77 6.249 1.214 -7.660 611 2HE LYS 77 HE3 LYS 77 7.274 0.510 -6.394 612 1HZ LYS 77 HZ1 LYS 77 5.689 -1.080 -7.396 613 2HZ LYS 77 HZ2 LYS 77 5.598 -0.952 -5.773 614 3HZ LYS 77 HZ3 LYS 77 4.441 -0.257 -6.731 615 H ILE 78 H ILE 78 8.230 5.147 -3.816 616 HA ILE 78 HA ILE 78 11.092 4.444 -3.573 617 HB ILE 78 HB ILE 78 9.923 6.911 -2.262 618 1HG1 ILE 78 HG12 ILE 78 11.469 6.948 -4.878 619 2HG1 ILE 78 HG13 ILE 78 9.786 7.419 -4.649 620 1HG2 ILE 78 HG21 ILE 78 12.824 6.205 -2.805 621 2HG2 ILE 78 HG22 ILE 78 12.221 7.499 -1.767 622 3HG2 ILE 78 HG23 ILE 78 11.999 5.828 -1.289 623 1HD1 ILE 78 HD11 ILE 78 10.533 9.234 -3.114 624 2HD1 ILE 78 HD12 ILE 78 12.214 8.864 -3.547 625 3HD1 ILE 78 HD13 ILE 78 11.077 9.410 -4.783 626 H THR 79 H THR 79 11.488 3.457 -1.619 627 HA THR 79 HA THR 79 9.611 3.669 0.635 628 HB THR 79 HB THR 79 10.207 1.078 0.908 629 HG1 THR 79 HG1 THR 79 11.290 1.156 -1.262 630 1HG2 THR 79 HG21 THR 79 7.911 2.128 0.709 631 2HG2 THR 79 HG22 THR 79 8.013 1.874 -1.043 632 3HG2 THR 79 HG23 THR 79 8.067 0.485 0.081 633 H PHE 80 H PHE 80 10.828 3.142 2.709 634 HA PHE 80 HA PHE 80 13.646 3.910 2.525 635 1HB PHE 80 HB2 PHE 80 12.006 2.726 4.794 636 2HB PHE 80 HB3 PHE 80 13.690 3.206 4.939 637 HD1 PHE 80 HD1 PHE 80 14.319 5.687 4.361 638 HD2 PHE 80 HD2 PHE 80 10.305 4.344 5.200 639 HE1 PHE 80 HE1 PHE 80 13.626 8.015 4.755 640 HE2 PHE 80 HE2 PHE 80 9.643 6.668 5.723 641 HZ PHE 80 HZ PHE 80 11.271 8.520 5.439 642 H ALA 81 H ALA 81 15.472 2.536 2.668 643 HA ALA 81 HA ALA 81 15.040 -0.320 1.978 644 1HB ALA 81 HB1 ALA 81 17.615 1.261 2.428 645 2HB ALA 81 HB2 ALA 81 17.492 -0.392 1.799 646 3HB ALA 81 HB3 ALA 81 16.862 0.957 0.842 647 H LYS 82 H LYS 82 16.175 -1.954 3.442 648 HA LYS 82 HA LYS 82 16.041 -1.096 6.300 649 1HB LYS 82 HB2 LYS 82 14.971 -3.710 5.147 650 2HB LYS 82 HB3 LYS 82 14.970 -3.220 6.840 651 1HG LYS 82 HG2 LYS 82 12.879 -2.516 6.423 652 2HG LYS 82 HG3 LYS 82 13.707 -1.065 5.828 653 1HD LYS 82 HD2 LYS 82 13.625 -2.088 3.506 654 2HD LYS 82 HD3 LYS 82 12.660 -3.414 4.183 655 1HE LYS 82 HE2 LYS 82 10.875 -1.909 4.798 656 2HE LYS 82 HE3 LYS 82 11.871 -0.481 4.432 657 1HZ LYS 82 HZ1 LYS 82 11.847 -1.061 2.137 658 2HZ LYS 82 HZ2 LYS 82 10.991 -2.470 2.437 659 3HZ LYS 82 HZ3 LYS 82 10.296 -1.010 2.654 660 H LYS 83 H LYS 83 18.281 -1.301 4.583 661 HA LYS 83 HA LYS 83 20.422 -2.152 4.409 662 1HB LYS 83 HB2 LYS 83 20.029 -1.804 7.399 663 2HB LYS 83 HB3 LYS 83 21.605 -1.963 6.611 664 1HG LYS 83 HG2 LYS 83 21.292 0.045 5.323 665 2HG LYS 83 HG3 LYS 83 19.620 0.220 5.852 666 1HD LYS 83 HD2 LYS 83 22.060 0.484 7.652 667 2HD LYS 83 HD3 LYS 83 21.100 1.803 6.964 668 1HE LYS 83 HE2 LYS 83 19.065 0.579 8.127 669 2HE LYS 83 HE3 LYS 83 20.318 -0.204 9.100 670 1HZ LYS 83 HZ1 LYS 83 19.548 1.772 10.191 671 2HZ LYS 83 HZ2 LYS 83 21.071 2.086 9.690 672 3HZ LYS 83 HZ3 LYS 83 19.775 2.694 8.862 Start of MODEL 18 1 1H ALA 1 H1 ALA 1 10.109 -7.777 -2.141 2 2H ALA 1 H2 ALA 1 8.810 -8.779 -2.386 3 3H ALA 1 H3 ALA 1 9.097 -7.509 -3.391 4 HA ALA 1 HA ALA 1 7.395 -6.754 -2.030 5 1HB ALA 1 HB1 ALA 1 9.071 -7.751 0.329 6 2HB ALA 1 HB2 ALA 1 7.515 -6.904 0.437 7 3HB ALA 1 HB3 ALA 1 7.587 -8.515 -0.288 8 H GLN 2 H GLN 2 7.472 -4.687 -0.627 9 HA GLN 2 HA GLN 2 10.131 -3.486 -0.448 10 1HB GLN 2 HB2 GLN 2 9.475 -1.391 -1.490 11 2HB GLN 2 HB3 GLN 2 9.512 -2.740 -2.614 12 1HG GLN 2 HG2 GLN 2 7.014 -2.874 -2.523 13 2HG GLN 2 HG3 GLN 2 6.995 -1.432 -1.501 14 1HE2 GLN 2 HE22 GLN 2 8.845 0.311 -2.653 15 2HE2 GLN 2 HE21 GLN 2 8.445 0.567 -4.341 16 H THR 3 H THR 3 9.174 -4.472 1.660 17 HA THR 3 HA THR 3 7.227 -3.376 3.226 18 HB THR 3 HB THR 3 9.992 -4.088 4.285 19 HG1 THR 3 HG1 THR 3 9.521 -6.232 3.958 20 1HG2 THR 3 HG21 THR 3 8.234 -3.524 5.942 21 2HG2 THR 3 HG22 THR 3 7.164 -4.760 5.245 22 3HG2 THR 3 HG23 THR 3 8.681 -5.232 6.048 23 H GLU 4 H GLU 4 6.937 -1.470 4.362 24 HA GLU 4 HA GLU 4 8.936 0.689 4.055 25 1HB GLU 4 HB2 GLU 4 6.031 0.510 4.911 26 2HB GLU 4 HB3 GLU 4 6.981 1.938 5.313 27 1HG GLU 4 HG2 GLU 4 6.916 0.940 2.449 28 2HG GLU 4 HG3 GLU 4 5.582 1.880 3.107 29 H GLN 5 H GLN 5 9.536 1.940 5.917 30 HA GLN 5 HA GLN 5 9.681 0.543 8.533 31 1HB GLN 5 HB2 GLN 5 11.958 1.437 6.696 32 2HB GLN 5 HB3 GLN 5 12.167 1.458 8.427 33 1HG GLN 5 HG2 GLN 5 13.130 -0.531 7.673 34 2HG GLN 5 HG3 GLN 5 11.683 -0.951 8.586 35 1HE2 GLN 5 HE22 GLN 5 12.285 -0.029 5.067 36 2HE2 GLN 5 HE21 GLN 5 11.331 -1.336 4.455 37 HA PRO 6 HA PRO 6 9.661 4.987 9.837 38 1HB PRO 6 HB2 PRO 6 11.628 5.023 11.777 39 2HB PRO 6 HB3 PRO 6 9.957 4.450 12.062 40 1HG PRO 6 HG2 PRO 6 12.417 2.796 11.416 41 2HG PRO 6 HG3 PRO 6 11.204 2.519 12.708 42 1HD PRO 6 HD2 PRO 6 11.082 1.188 10.354 43 2HD PRO 6 HD3 PRO 6 9.592 1.753 11.153 44 HA PRO 7 HA PRO 7 12.650 6.787 7.254 45 1HB PRO 7 HB2 PRO 7 13.696 8.427 9.575 46 2HB PRO 7 HB3 PRO 7 13.357 8.954 7.896 47 1HG PRO 7 HG2 PRO 7 11.532 9.411 9.839 48 2HG PRO 7 HG3 PRO 7 10.995 8.794 8.243 49 1HD PRO 7 HD2 PRO 7 11.377 7.265 10.820 50 2HD PRO 7 HD3 PRO 7 10.083 7.118 9.591 51 H ASN 8 H ASN 8 14.590 6.302 6.390 52 HA ASN 8 HA ASN 8 16.863 5.437 8.056 53 1HB ASN 8 HB2 ASN 8 15.734 3.291 7.591 54 2HB ASN 8 HB3 ASN 8 15.558 3.721 5.892 55 1HD2 ASN 8 HD21 ASN 8 16.869 2.279 4.862 56 2HD2 ASN 8 HD22 ASN 8 18.591 2.091 5.180 57 H GLN 9 H GLN 9 18.831 5.718 6.913 58 HA GLN 9 HA GLN 9 18.802 7.910 5.044 59 1HB GLN 9 HB2 GLN 9 21.134 7.986 5.378 60 2HB GLN 9 HB3 GLN 9 20.406 7.625 6.932 61 1HG GLN 9 HG2 GLN 9 20.941 5.188 6.581 62 2HG GLN 9 HG3 GLN 9 21.774 5.616 5.078 63 1HE2 GLN 9 HE22 GLN 9 23.450 7.561 5.425 64 2HE2 GLN 9 HE21 GLN 9 24.494 7.337 6.815 65 H ILE 10 H ILE 10 17.964 4.931 4.156 66 HA ILE 10 HA ILE 10 19.310 5.113 1.552 67 HB ILE 10 HB ILE 10 18.964 2.435 2.952 68 1HG1 ILE 10 HG12 ILE 10 21.508 4.086 2.703 69 2HG1 ILE 10 HG13 ILE 10 20.689 3.600 4.192 70 1HG2 ILE 10 HG21 ILE 10 20.249 1.529 1.086 71 2HG2 ILE 10 HG22 ILE 10 18.924 2.450 0.418 72 3HG2 ILE 10 HG23 ILE 10 20.549 3.159 0.446 73 1HD1 ILE 10 HD11 ILE 10 22.198 1.795 2.283 74 2HD1 ILE 10 HD12 ILE 10 22.572 2.183 3.967 75 3HD1 ILE 10 HD13 ILE 10 21.146 1.192 3.586 76 H LEU 11 H LEU 11 17.904 4.581 -0.083 77 HA LEU 11 HA LEU 11 15.042 4.102 0.650 78 1HB LEU 11 HB2 LEU 11 16.208 5.953 -1.479 79 2HB LEU 11 HB3 LEU 11 14.498 5.657 -1.194 80 HG LEU 11 HG LEU 11 16.400 7.017 0.767 81 1HD1 LEU 11 HD11 LEU 11 14.229 8.190 -1.012 82 2HD1 LEU 11 HD12 LEU 11 15.172 9.072 0.203 83 3HD1 LEU 11 HD13 LEU 11 15.981 8.388 -1.214 84 1HD2 LEU 11 HD21 LEU 11 14.667 5.901 2.005 85 2HD2 LEU 11 HD22 LEU 11 14.262 7.619 1.964 86 3HD2 LEU 11 HD23 LEU 11 13.399 6.487 0.901 87 H PHE 12 H PHE 12 13.950 2.786 -0.750 88 HA PHE 12 HA PHE 12 15.468 1.504 -2.975 89 1HB PHE 12 HB2 PHE 12 14.797 -0.141 -1.261 90 2HB PHE 12 HB3 PHE 12 13.145 0.461 -1.296 91 HD1 PHE 12 HD1 PHE 12 11.608 -0.840 -2.548 92 HD2 PHE 12 HD2 PHE 12 15.715 -0.674 -3.833 93 HE1 PHE 12 HE1 PHE 12 11.155 -2.584 -4.254 94 HE2 PHE 12 HE2 PHE 12 15.244 -2.361 -5.575 95 HZ PHE 12 HZ PHE 12 12.964 -3.344 -5.776 96 H LEU 13 H LEU 13 14.530 1.759 -4.956 97 HA LEU 13 HA LEU 13 12.168 3.574 -5.123 98 1HB LEU 13 HB2 LEU 13 14.966 3.777 -6.217 99 2HB LEU 13 HB3 LEU 13 13.661 4.140 -7.317 100 HG LEU 13 HG LEU 13 12.722 5.797 -5.672 101 1HD1 LEU 13 HD11 LEU 13 14.351 6.681 -3.972 102 2HD1 LEU 13 HD12 LEU 13 13.782 5.048 -3.601 103 3HD1 LEU 13 HD13 LEU 13 15.398 5.278 -4.279 104 1HD2 LEU 13 HD21 LEU 13 14.113 6.398 -7.653 105 2HD2 LEU 13 HD22 LEU 13 14.374 7.487 -6.295 106 3HD2 LEU 13 HD23 LEU 13 15.577 6.240 -6.656 107 H THR 14 H THR 14 10.809 3.183 -6.819 108 HA THR 14 HA THR 14 11.201 0.783 -8.517 109 HB THR 14 HB THR 14 8.815 0.116 -7.658 110 HG1 THR 14 HG1 THR 14 9.807 1.750 -5.556 111 1HG2 THR 14 HG21 THR 14 10.798 -1.276 -7.227 112 2HG2 THR 14 HG22 THR 14 11.199 -0.279 -5.818 113 3HG2 THR 14 HG23 THR 14 9.706 -1.243 -5.842 114 H ASN 15 H ASN 15 9.224 0.502 -9.971 115 HA ASN 15 HA ASN 15 8.063 1.220 -11.721 116 1HB ASN 15 HB2 ASN 15 6.468 1.871 -9.884 117 2HB ASN 15 HB3 ASN 15 7.120 3.510 -9.973 118 1HD2 ASN 15 HD22 ASN 15 5.702 4.812 -11.082 119 2HD2 ASN 15 HD21 ASN 15 4.709 4.294 -12.444 120 H LEU 16 H LEU 16 10.792 2.067 -11.524 121 HA LEU 16 HA LEU 16 11.005 4.828 -12.482 122 1HB LEU 16 HB2 LEU 16 13.140 2.682 -12.500 123 2HB LEU 16 HB3 LEU 16 13.372 4.416 -12.462 124 HG LEU 16 HG LEU 16 12.312 2.728 -10.167 125 1HD1 LEU 16 HD11 LEU 16 14.971 4.147 -10.505 126 2HD1 LEU 16 HD12 LEU 16 14.451 3.126 -9.140 127 3HD1 LEU 16 HD13 LEU 16 14.708 2.416 -10.739 128 1HD2 LEU 16 HD21 LEU 16 13.133 5.640 -10.023 129 2HD2 LEU 16 HD22 LEU 16 11.442 5.151 -10.292 130 3HD2 LEU 16 HD23 LEU 16 12.250 4.669 -8.824 131 HA PRO 17 HA PRO 17 10.995 4.017 -16.934 132 1HB PRO 17 HB2 PRO 17 13.821 4.951 -17.074 133 2HB PRO 17 HB3 PRO 17 12.404 5.460 -18.029 134 1HG PRO 17 HG2 PRO 17 13.515 6.893 -15.931 135 2HG PRO 17 HG3 PRO 17 11.798 7.033 -16.417 136 1HD PRO 17 HD2 PRO 17 12.934 5.788 -14.021 137 2HD PRO 17 HD3 PRO 17 11.257 6.259 -14.354 138 H GLU 18 H GLU 18 11.667 2.314 -18.314 139 HA GLU 18 HA GLU 18 13.360 0.217 -17.244 140 1HB GLU 18 HB2 GLU 18 12.888 -0.918 -19.340 141 2HB GLU 18 HB3 GLU 18 11.415 -0.266 -18.621 142 1HG GLU 18 HG2 GLU 18 11.517 1.669 -20.209 143 2HG GLU 18 HG3 GLU 18 12.948 0.951 -20.955 144 H GLU 19 H GLU 19 14.279 3.128 -18.191 145 HA GLU 19 HA GLU 19 16.820 2.278 -19.334 146 1HB GLU 19 HB2 GLU 19 15.312 4.802 -20.132 147 2HB GLU 19 HB3 GLU 19 16.815 4.194 -20.834 148 1HG GLU 19 HG2 GLU 19 15.510 2.155 -21.618 149 2HG GLU 19 HG3 GLU 19 14.039 2.990 -21.089 150 H THR 20 H THR 20 15.693 3.244 -16.522 151 HA THR 20 HA THR 20 16.882 5.767 -15.940 152 HB THR 20 HB THR 20 16.574 3.503 -13.929 153 HG1 THR 20 HG1 THR 20 14.599 3.485 -14.819 154 1HG2 THR 20 HG21 THR 20 16.064 6.518 -13.774 155 2HG2 THR 20 HG22 THR 20 15.895 5.356 -12.443 156 3HG2 THR 20 HG23 THR 20 17.498 5.694 -13.111 157 H ASN 21 H ASN 21 18.900 6.265 -14.991 158 HA ASN 21 HA ASN 21 20.915 4.148 -14.841 159 1HB ASN 21 HB2 ASN 21 22.557 5.375 -16.136 160 2HB ASN 21 HB3 ASN 21 21.154 5.022 -17.124 161 1HD2 ASN 21 HD22 ASN 21 20.607 6.752 -18.444 162 2HD2 ASN 21 HD21 ASN 21 20.875 8.428 -18.038 163 H GLU 22 H GLU 22 22.914 5.087 -13.770 164 HA GLU 22 HA GLU 22 22.212 5.968 -11.218 165 1HB GLU 22 HB2 GLU 22 24.268 4.715 -12.003 166 2HB GLU 22 HB3 GLU 22 24.910 6.245 -12.610 167 1HG GLU 22 HG2 GLU 22 24.756 7.154 -10.257 168 2HG GLU 22 HG3 GLU 22 24.244 5.545 -9.725 169 H MET 23 H MET 23 23.222 7.862 -14.032 170 HA MET 23 HA MET 23 23.783 10.248 -12.514 171 1HB MET 23 HB2 MET 23 24.875 9.726 -14.697 172 2HB MET 23 HB3 MET 23 23.322 9.965 -15.511 173 1HG MET 23 HG2 MET 23 24.716 11.951 -15.708 174 2HG MET 23 HG3 MET 23 23.262 12.303 -14.785 175 1HE MET 23 HE1 MET 23 24.093 14.546 -13.795 176 2HE MET 23 HE2 MET 23 25.725 14.796 -13.139 177 3HE MET 23 HE3 MET 23 25.514 14.378 -14.854 178 H MET 24 H MET 24 20.922 9.031 -14.254 179 HA MET 24 HA MET 24 19.385 11.421 -14.234 180 1HB MET 24 HB2 MET 24 18.493 8.507 -13.987 181 2HB MET 24 HB3 MET 24 17.367 9.856 -14.084 182 1HG MET 24 HG2 MET 24 19.474 9.252 -16.165 183 2HG MET 24 HG3 MET 24 17.790 8.706 -16.230 184 1HE MET 24 HE1 MET 24 17.913 11.385 -19.083 185 2HE MET 24 HE2 MET 24 19.220 10.276 -18.616 186 3HE MET 24 HE3 MET 24 17.536 9.702 -18.651 187 H LEU 25 H LEU 25 19.460 8.781 -11.833 188 HA LEU 25 HA LEU 25 17.723 10.233 -10.035 189 1HB LEU 25 HB2 LEU 25 19.552 7.865 -9.510 190 2HB LEU 25 HB3 LEU 25 18.341 8.475 -8.383 191 HG LEU 25 HG LEU 25 17.864 7.168 -11.092 192 1HD1 LEU 25 HD11 LEU 25 18.399 5.625 -9.293 193 2HD1 LEU 25 HD12 LEU 25 17.190 6.372 -8.232 194 3HD1 LEU 25 HD13 LEU 25 16.682 5.487 -9.693 195 1HD2 LEU 25 HD21 LEU 25 15.906 8.574 -9.233 196 2HD2 LEU 25 HD22 LEU 25 16.193 8.874 -10.967 197 3HD2 LEU 25 HD23 LEU 25 15.403 7.381 -10.462 198 H SER 26 H SER 26 21.297 10.000 -10.385 199 HA SER 26 HA SER 26 21.880 11.217 -7.858 200 1HB SER 26 HB2 SER 26 23.471 11.312 -10.459 201 2HB SER 26 HB3 SER 26 24.071 11.745 -8.848 202 HG SER 26 HG SER 26 23.227 9.210 -9.806 203 H MET 27 H MET 27 21.321 12.553 -11.138 204 HA MET 27 HA MET 27 21.677 15.279 -10.481 205 1HB MET 27 HB2 MET 27 21.579 14.294 -12.768 206 2HB MET 27 HB3 MET 27 19.838 14.032 -12.575 207 1HG MET 27 HG2 MET 27 19.553 16.482 -12.225 208 2HG MET 27 HG3 MET 27 21.279 16.702 -12.521 209 1HE MET 27 HE1 MET 27 22.454 16.274 -14.861 210 2HE MET 27 HE2 MET 27 21.787 14.631 -15.031 211 3HE MET 27 HE3 MET 27 21.598 15.807 -16.346 212 H LEU 28 H LEU 28 18.735 13.168 -10.313 213 HA LEU 28 HA LEU 28 17.031 15.332 -9.502 214 1HB LEU 28 HB2 LEU 28 16.741 12.324 -9.186 215 2HB LEU 28 HB3 LEU 28 15.491 13.477 -8.724 216 HG LEU 28 HG LEU 28 16.589 13.180 -11.547 217 1HD1 LEU 28 HD11 LEU 28 14.474 12.086 -12.073 218 2HD1 LEU 28 HD12 LEU 28 15.293 11.202 -10.779 219 3HD1 LEU 28 HD13 LEU 28 13.925 12.272 -10.392 220 1HD2 LEU 28 HD21 LEU 28 14.612 14.539 -12.201 221 2HD2 LEU 28 HD22 LEU 28 14.257 14.824 -10.481 222 3HD2 LEU 28 HD23 LEU 28 15.751 15.449 -11.221 223 H PHE 29 H PHE 29 18.572 12.760 -7.505 224 HA PHE 29 HA PHE 29 17.406 13.977 -5.132 225 1HB PHE 29 HB2 PHE 29 19.262 11.617 -5.584 226 2HB PHE 29 HB3 PHE 29 18.838 12.211 -3.981 227 HD1 PHE 29 HD1 PHE 29 17.225 10.866 -7.099 228 HD2 PHE 29 HD2 PHE 29 16.915 11.573 -2.861 229 HE1 PHE 29 HE1 PHE 29 15.166 9.518 -7.018 230 HE2 PHE 29 HE2 PHE 29 14.842 10.222 -2.784 231 HZ PHE 29 HZ PHE 29 13.968 9.185 -4.862 232 H ASN 30 H ASN 30 20.658 14.257 -6.641 233 HA ASN 30 HA ASN 30 21.977 15.084 -4.280 234 1HB ASN 30 HB2 ASN 30 23.165 14.349 -6.258 235 2HB ASN 30 HB3 ASN 30 22.625 15.786 -7.148 236 1HD2 ASN 30 HD22 ASN 30 24.324 17.240 -7.337 237 2HD2 ASN 30 HD21 ASN 30 25.497 17.561 -6.089 238 H GLN 31 H GLN 31 19.534 16.745 -6.004 239 HA GLN 31 HA GLN 31 20.182 19.460 -5.562 240 1HB GLN 31 HB2 GLN 31 17.497 18.014 -5.515 241 2HB GLN 31 HB3 GLN 31 17.694 19.770 -5.529 242 1HG GLN 31 HG2 GLN 31 18.884 19.638 -7.703 243 2HG GLN 31 HG3 GLN 31 18.659 17.887 -7.721 244 1HE2 GLN 31 HE22 GLN 31 16.354 17.081 -7.623 245 2HE2 GLN 31 HE21 GLN 31 15.112 18.036 -8.426 246 H PHE 32 H PHE 32 19.174 16.893 -3.297 247 HA PHE 32 HA PHE 32 18.585 18.845 -1.178 248 1HB PHE 32 HB2 PHE 32 18.681 15.824 -0.993 249 2HB PHE 32 HB3 PHE 32 17.916 16.934 0.134 250 HD1 PHE 32 HD1 PHE 32 16.076 18.594 -1.118 251 HD2 PHE 32 HD2 PHE 32 17.305 14.706 -2.514 252 HE1 PHE 32 HE1 PHE 32 14.087 18.480 -2.599 253 HE2 PHE 32 HE2 PHE 32 15.329 14.595 -3.976 254 HZ PHE 32 HZ PHE 32 13.744 16.493 -4.074 255 HA PRO 33 HA PRO 33 22.875 18.756 -0.063 256 1HB PRO 33 HB2 PRO 33 22.881 20.165 2.281 257 2HB PRO 33 HB3 PRO 33 22.394 20.878 0.722 258 1HG PRO 33 HG2 PRO 33 20.578 19.704 2.853 259 2HG PRO 33 HG3 PRO 33 20.467 21.316 2.074 260 1HD PRO 33 HD2 PRO 33 19.018 19.182 1.183 261 2HD PRO 33 HD3 PRO 33 19.695 20.395 0.053 262 H GLY 34 H GLY 34 21.480 16.268 0.550 263 1HA GLY 34 HA2 GLY 34 23.156 15.265 2.795 264 2HA GLY 34 HA3 GLY 34 21.412 14.943 2.774 265 H PHE 35 H PHE 35 22.023 14.856 -0.464 266 HA PHE 35 HA PHE 35 21.885 12.080 -0.759 267 1HB PHE 35 HB2 PHE 35 21.239 13.685 -2.453 268 2HB PHE 35 HB3 PHE 35 22.852 14.398 -2.460 269 HD1 PHE 35 HD1 PHE 35 24.729 13.347 -3.636 270 HD2 PHE 35 HD2 PHE 35 20.808 11.561 -3.634 271 HE1 PHE 35 HE1 PHE 35 25.379 11.897 -5.549 272 HE2 PHE 35 HE2 PHE 35 21.431 10.182 -5.579 273 HZ PHE 35 HZ PHE 35 23.724 10.338 -6.531 274 H LYS 36 H LYS 36 23.406 10.582 -1.324 275 HA LYS 36 HA LYS 36 26.289 11.327 -1.236 276 1HB LYS 36 HB2 LYS 36 25.036 8.931 0.167 277 2HB LYS 36 HB3 LYS 36 26.761 9.179 -0.112 278 1HG LYS 36 HG2 LYS 36 26.653 11.314 1.195 279 2HG LYS 36 HG3 LYS 36 24.941 11.023 1.507 280 1HD LYS 36 HD2 LYS 36 26.293 10.388 3.433 281 2HD LYS 36 HD3 LYS 36 25.496 8.951 2.744 282 1HE LYS 36 HE2 LYS 36 27.547 8.352 1.571 283 2HE LYS 36 HE3 LYS 36 28.339 9.827 2.151 284 1HZ LYS 36 HZ1 LYS 36 28.159 8.951 4.414 285 2HZ LYS 36 HZ2 LYS 36 27.421 7.589 3.877 286 3HZ LYS 36 HZ3 LYS 36 28.968 7.897 3.476 287 H GLU 37 H GLU 37 23.935 8.662 -2.213 288 HA GLU 37 HA GLU 37 25.536 8.357 -4.669 289 1HB GLU 37 HB2 GLU 37 26.800 7.188 -2.806 290 2HB GLU 37 HB3 GLU 37 25.438 6.092 -2.611 291 1HG GLU 37 HG2 GLU 37 25.816 5.085 -4.727 292 2HG GLU 37 HG3 GLU 37 26.809 6.431 -5.300 293 H VAL 38 H VAL 38 24.713 6.598 -6.074 294 HA VAL 38 HA VAL 38 21.929 5.703 -5.595 295 HB VAL 38 HB VAL 38 23.125 6.800 -8.178 296 1HG1 VAL 38 HG11 VAL 38 21.734 4.820 -8.718 297 2HG1 VAL 38 HG12 VAL 38 20.388 5.509 -7.778 298 3HG1 VAL 38 HG13 VAL 38 20.982 6.296 -9.262 299 1HG2 VAL 38 HG21 VAL 38 21.282 8.407 -8.099 300 2HG2 VAL 38 HG22 VAL 38 20.754 7.751 -6.533 301 3HG2 VAL 38 HG23 VAL 38 22.336 8.543 -6.706 302 H ARG 39 H ARG 39 21.610 3.580 -6.271 303 HA ARG 39 HA ARG 39 23.866 2.088 -7.507 304 1HB ARG 39 HB2 ARG 39 22.376 1.223 -4.992 305 2HB ARG 39 HB3 ARG 39 23.538 0.244 -5.899 306 1HG ARG 39 HG2 ARG 39 25.311 1.932 -5.439 307 2HG ARG 39 HG3 ARG 39 24.141 2.914 -4.544 308 1HD ARG 39 HD2 ARG 39 23.827 1.026 -2.943 309 2HD ARG 39 HD3 ARG 39 25.172 0.185 -3.741 310 HE ARG 39 HE ARG 39 26.487 2.358 -3.287 311 1HH1 ARG 39 HH21 ARG 39 23.975 1.286 -0.962 312 2HH1 ARG 39 HH22 ARG 39 24.557 2.382 0.271 313 1HH2 ARG 39 HH11 ARG 39 27.178 3.630 -1.747 314 2HH2 ARG 39 HH12 ARG 39 26.426 3.750 -0.158 315 H LEU 40 H LEU 40 22.799 2.050 -9.426 316 HA LEU 40 HA LEU 40 19.989 1.466 -9.793 317 1HB LEU 40 HB2 LEU 40 22.220 2.419 -11.360 318 2HB LEU 40 HB3 LEU 40 21.728 0.921 -12.093 319 HG LEU 40 HG LEU 40 20.672 2.768 -13.171 320 1HD1 LEU 40 HD11 LEU 40 19.340 0.709 -13.027 321 2HD1 LEU 40 HD12 LEU 40 18.514 1.339 -11.566 322 3HD1 LEU 40 HD13 LEU 40 18.339 2.159 -13.121 323 1HD2 LEU 40 HD21 LEU 40 19.391 3.544 -10.521 324 2HD2 LEU 40 HD22 LEU 40 20.720 4.394 -11.327 325 3HD2 LEU 40 HD23 LEU 40 19.137 4.320 -12.095 326 H VAL 41 H VAL 41 19.431 -0.401 -11.271 327 HA VAL 41 HA VAL 41 21.007 -2.873 -10.734 328 HB VAL 41 HB VAL 41 17.984 -2.690 -10.921 329 1HG1 VAL 41 HG11 VAL 41 18.916 -4.821 -11.756 330 2HG1 VAL 41 HG12 VAL 41 19.872 -5.004 -10.268 331 3HG1 VAL 41 HG13 VAL 41 18.102 -5.077 -10.213 332 1HG2 VAL 41 HG21 VAL 41 19.780 -3.087 -8.485 333 2HG2 VAL 41 HG22 VAL 41 18.638 -1.754 -8.766 334 3HG2 VAL 41 HG23 VAL 41 18.031 -3.387 -8.503 335 HA PRO 42 HA PRO 42 20.823 -1.461 -15.064 336 1HB PRO 42 HB2 PRO 42 23.410 -1.943 -15.870 337 2HB PRO 42 HB3 PRO 42 22.963 -0.592 -14.792 338 1HG PRO 42 HG2 PRO 42 23.951 -3.349 -13.977 339 2HG PRO 42 HG3 PRO 42 24.610 -1.752 -13.482 340 1HD PRO 42 HD2 PRO 42 22.831 -3.081 -11.927 341 2HD PRO 42 HD3 PRO 42 22.738 -1.302 -12.112 342 H ASN 43 H ASN 43 19.958 -4.008 -14.118 343 HA ASN 43 HA ASN 43 19.907 -5.402 -16.652 344 1HB ASN 43 HB2 ASN 43 19.962 -7.609 -15.680 345 2HB ASN 43 HB3 ASN 43 21.413 -6.751 -15.196 346 1HD2 ASN 43 HD22 ASN 43 21.785 -6.430 -12.948 347 2HD2 ASN 43 HD21 ASN 43 20.682 -6.988 -11.718 348 H ARG 44 H ARG 44 18.213 -3.760 -14.223 349 HA ARG 44 HA ARG 44 15.690 -4.792 -15.392 350 1HB ARG 44 HB2 ARG 44 16.432 -4.642 -12.483 351 2HB ARG 44 HB3 ARG 44 14.854 -4.026 -12.935 352 1HG ARG 44 HG2 ARG 44 14.423 -6.222 -14.167 353 2HG ARG 44 HG3 ARG 44 15.921 -6.827 -13.445 354 1HD ARG 44 HD2 ARG 44 14.027 -7.564 -12.133 355 2HD ARG 44 HD3 ARG 44 14.961 -6.401 -11.176 356 HE ARG 44 HE ARG 44 13.078 -4.807 -12.396 357 1HH1 ARG 44 HH21 ARG 44 12.819 -7.712 -10.353 358 2HH1 ARG 44 HH22 ARG 44 11.283 -7.275 -9.703 359 1HH2 ARG 44 HH11 ARG 44 11.071 -4.234 -11.576 360 2HH2 ARG 44 HH12 ARG 44 10.254 -5.248 -10.424 361 H HIS 45 H HIS 45 17.381 -2.122 -13.774 362 HA HIS 45 HA HIS 45 17.267 0.049 -13.840 363 1HB HIS 45 HB2 HIS 45 15.759 -0.235 -16.451 364 2HB HIS 45 HB3 HIS 45 16.516 1.225 -15.843 365 HD1 HIS 45 HD1 HIS 45 19.110 1.491 -16.255 366 HD2 HIS 45 HD2 HIS 45 17.460 -2.234 -17.323 367 HE1 HIS 45 HE1 HIS 45 20.918 0.245 -17.563 368 H ASP 46 H ASP 46 14.113 -1.530 -14.050 369 HA ASP 46 HA ASP 46 12.571 0.840 -13.562 370 1HB ASP 46 HB2 ASP 46 10.701 -0.532 -13.602 371 2HB ASP 46 HB3 ASP 46 11.802 -1.285 -14.752 372 H ILE 47 H ILE 47 14.581 -0.937 -11.513 373 HA ILE 47 HA ILE 47 13.418 0.438 -9.232 374 HB ILE 47 HB ILE 47 13.501 -1.303 -7.737 375 1HG1 ILE 47 HG12 ILE 47 15.703 -2.226 -8.204 376 2HG1 ILE 47 HG13 ILE 47 14.488 -3.456 -7.917 377 1HG2 ILE 47 HG21 ILE 47 11.598 -1.569 -9.300 378 2HG2 ILE 47 HG22 ILE 47 12.539 -2.721 -10.241 379 3HG2 ILE 47 HG23 ILE 47 12.103 -3.104 -8.564 380 1HD1 ILE 47 HD11 ILE 47 15.582 -2.703 -10.649 381 2HD1 ILE 47 HD12 ILE 47 16.036 -4.109 -9.661 382 3HD1 ILE 47 HD13 ILE 47 14.394 -3.981 -10.299 383 H ALA 48 H ALA 48 15.066 0.842 -7.543 384 HA ALA 48 HA ALA 48 17.894 0.537 -8.165 385 1HB ALA 48 HB1 ALA 48 18.350 2.959 -8.346 386 2HB ALA 48 HB2 ALA 48 17.238 2.483 -9.642 387 3HB ALA 48 HB3 ALA 48 16.621 3.321 -8.199 388 H PHE 49 H PHE 49 19.155 1.926 -6.466 389 HA PHE 49 HA PHE 49 17.580 2.373 -4.004 390 1HB PHE 49 HB2 PHE 49 20.329 1.087 -4.200 391 2HB PHE 49 HB3 PHE 49 19.586 1.625 -2.708 392 HD1 PHE 49 HD1 PHE 49 19.162 -0.792 -5.555 393 HD2 PHE 49 HD2 PHE 49 18.185 0.178 -1.461 394 HE1 PHE 49 HE1 PHE 49 18.089 -3.013 -5.295 395 HE2 PHE 49 HE2 PHE 49 17.177 -2.079 -1.181 396 HZ PHE 49 HZ PHE 49 17.127 -3.674 -3.089 397 H VAL 50 H VAL 50 18.445 4.104 -2.706 398 HA VAL 50 HA VAL 50 20.562 5.808 -3.895 399 HB VAL 50 HB VAL 50 17.838 6.822 -2.961 400 1HG1 VAL 50 HG11 VAL 50 19.646 8.459 -2.613 401 2HG1 VAL 50 HG12 VAL 50 20.156 8.282 -4.300 402 3HG1 VAL 50 HG13 VAL 50 18.570 8.982 -3.912 403 1HG2 VAL 50 HG21 VAL 50 17.396 7.451 -5.308 404 2HG2 VAL 50 HG22 VAL 50 18.871 6.590 -5.814 405 3HG2 VAL 50 HG23 VAL 50 17.511 5.704 -5.105 406 H GLU 51 H GLU 51 21.711 6.977 -2.241 407 HA GLU 51 HA GLU 51 21.098 6.201 0.569 408 1HB GLU 51 HB2 GLU 51 22.729 4.624 -0.264 409 2HB GLU 51 HB3 GLU 51 23.735 5.920 -0.926 410 1HG GLU 51 HG2 GLU 51 24.277 6.750 1.279 411 2HG GLU 51 HG3 GLU 51 23.099 5.676 2.043 412 H PHE 52 H PHE 52 21.668 7.627 2.085 413 HA PHE 52 HA PHE 52 22.473 10.378 1.314 414 1HB PHE 52 HB2 PHE 52 19.959 9.271 2.552 415 2HB PHE 52 HB3 PHE 52 20.568 10.757 3.221 416 HD1 PHE 52 HD1 PHE 52 19.853 12.763 2.356 417 HD2 PHE 52 HD2 PHE 52 19.803 9.281 -0.181 418 HE1 PHE 52 HE1 PHE 52 18.859 14.109 0.532 419 HE2 PHE 52 HE2 PHE 52 18.879 10.642 -2.023 420 HZ PHE 52 HZ PHE 52 18.435 13.064 -1.686 421 H THR 53 H THR 53 22.989 11.658 3.139 422 HA THR 53 HA THR 53 24.793 10.590 5.063 423 HB THR 53 HB THR 53 23.317 13.255 4.836 424 HG1 THR 53 HG1 THR 53 24.585 12.931 3.075 425 1HG2 THR 53 HG21 THR 53 25.728 12.512 6.533 426 2HG2 THR 53 HG22 THR 53 25.198 14.182 6.192 427 3HG2 THR 53 HG23 THR 53 24.139 13.084 7.089 428 H THR 54 H THR 54 21.396 11.832 5.421 429 HA THR 54 HA THR 54 21.248 10.445 8.030 430 HB THR 54 HB THR 54 19.943 12.778 8.524 431 HG1 THR 54 HG1 THR 54 21.241 14.467 7.787 432 1HG2 THR 54 HG21 THR 54 22.927 12.306 8.868 433 2HG2 THR 54 HG22 THR 54 21.956 13.513 9.743 434 3HG2 THR 54 HG23 THR 54 21.633 11.786 9.966 435 H GLU 55 H GLU 55 19.341 9.902 8.709 436 HA GLU 55 HA GLU 55 17.452 8.945 6.859 437 1HB GLU 55 HB2 GLU 55 16.872 9.448 9.807 438 2HB GLU 55 HB3 GLU 55 16.155 8.257 8.734 439 1HG GLU 55 HG2 GLU 55 17.557 6.883 9.863 440 2HG GLU 55 HG3 GLU 55 18.653 7.338 8.571 441 H LEU 56 H LEU 56 17.497 11.963 8.709 442 HA LEU 56 HA LEU 56 14.795 12.782 8.141 443 1HB LEU 56 HB2 LEU 56 17.332 14.162 9.064 444 2HB LEU 56 HB3 LEU 56 15.968 15.126 8.504 445 HG LEU 56 HG LEU 56 14.475 14.116 10.167 446 1HD1 LEU 56 HD11 LEU 56 15.484 11.919 10.546 447 2HD1 LEU 56 HD12 LEU 56 16.962 12.672 11.194 448 3HD1 LEU 56 HD13 LEU 56 15.421 12.806 12.067 449 1HD2 LEU 56 HD21 LEU 56 17.040 15.265 11.354 450 2HD2 LEU 56 HD22 LEU 56 15.694 16.202 10.668 451 3HD2 LEU 56 HD23 LEU 56 15.440 15.243 12.133 452 H GLN 57 H GLN 57 17.885 13.042 6.345 453 HA GLN 57 HA GLN 57 16.699 14.976 4.481 454 1HB GLN 57 HB2 GLN 57 19.440 13.653 4.509 455 2HB GLN 57 HB3 GLN 57 18.881 14.886 3.358 456 1HG GLN 57 HG2 GLN 57 18.325 16.337 5.432 457 2HG GLN 57 HG3 GLN 57 19.291 15.183 6.357 458 1HE2 GLN 57 HE22 GLN 57 21.616 14.963 5.763 459 2HE2 GLN 57 HE21 GLN 57 22.416 16.289 4.919 460 H SER 58 H SER 58 17.575 11.431 4.444 461 HA SER 58 HA SER 58 16.655 11.048 1.756 462 1HB SER 58 HB2 SER 58 16.196 8.692 2.562 463 2HB SER 58 HB3 SER 58 17.854 9.259 2.770 464 HG SER 58 HG SER 58 16.579 8.193 4.613 465 H ASN 59 H ASN 59 14.915 11.055 4.939 466 HA ASN 59 HA ASN 59 12.350 10.525 3.915 467 1HB ASN 59 HB2 ASN 59 12.733 10.535 6.301 468 2HB ASN 59 HB3 ASN 59 13.203 12.228 6.277 469 1HD2 ASN 59 HD22 ASN 59 11.612 13.622 6.960 470 2HD2 ASN 59 HD21 ASN 59 9.900 13.333 6.798 471 H ALA 60 H ALA 60 13.945 13.728 4.266 472 HA ALA 60 HA ALA 60 11.785 15.225 3.183 473 1HB ALA 60 HB1 ALA 60 14.770 15.823 3.003 474 2HB ALA 60 HB2 ALA 60 13.447 16.980 2.765 475 3HB ALA 60 HB3 ALA 60 13.702 16.251 4.362 476 H ALA 61 H ALA 61 14.542 13.666 1.540 477 HA ALA 61 HA ALA 61 13.864 14.538 -1.090 478 1HB ALA 61 HB1 ALA 61 16.083 13.611 -0.431 479 2HB ALA 61 HB2 ALA 61 15.344 11.999 -0.270 480 3HB ALA 61 HB3 ALA 61 15.369 12.813 -1.848 481 H LYS 62 H LYS 62 12.903 11.636 0.782 482 HA LYS 62 HA LYS 62 11.420 10.335 -1.244 483 1HB LYS 62 HB2 LYS 62 12.075 9.231 0.825 484 2HB LYS 62 HB3 LYS 62 11.108 10.349 1.788 485 1HG LYS 62 HG2 LYS 62 9.032 9.487 0.770 486 2HG LYS 62 HG3 LYS 62 9.982 8.375 -0.224 487 1HD LYS 62 HD2 LYS 62 10.880 7.324 1.877 488 2HD LYS 62 HD3 LYS 62 9.852 8.429 2.818 489 1HE LYS 62 HE2 LYS 62 7.847 7.505 1.583 490 2HE LYS 62 HE3 LYS 62 8.910 6.325 0.809 491 1HZ LYS 62 HZ1 LYS 62 8.349 6.553 3.706 492 2HZ LYS 62 HZ2 LYS 62 7.877 5.339 2.714 493 3HZ LYS 62 HZ3 LYS 62 9.453 5.512 3.072 494 H GLU 63 H GLU 63 10.315 12.670 1.292 495 HA GLU 63 HA GLU 63 7.637 12.823 0.414 496 1HB GLU 63 HB2 GLU 63 9.437 14.879 1.766 497 2HB GLU 63 HB3 GLU 63 7.712 15.122 1.533 498 1HG GLU 63 HG2 GLU 63 8.866 12.760 3.076 499 2HG GLU 63 HG3 GLU 63 8.433 14.291 3.815 500 H ALA 64 H ALA 64 10.516 14.577 -0.695 501 HA ALA 64 HA ALA 64 9.133 16.429 -2.366 502 1HB ALA 64 HB1 ALA 64 11.388 16.938 -3.198 503 2HB ALA 64 HB2 ALA 64 11.401 16.772 -1.427 504 3HB ALA 64 HB3 ALA 64 12.011 15.450 -2.453 505 H LEU 65 H LEU 65 10.595 13.209 -3.096 506 HA LEU 65 HA LEU 65 9.869 13.615 -5.966 507 1HB LEU 65 HB2 LEU 65 12.092 11.999 -4.684 508 2HB LEU 65 HB3 LEU 65 11.697 11.960 -6.397 509 HG LEU 65 HG LEU 65 12.661 14.416 -4.891 510 1HD1 LEU 65 HD11 LEU 65 14.031 12.597 -6.920 511 2HD1 LEU 65 HD12 LEU 65 14.715 14.096 -6.248 512 3HD1 LEU 65 HD13 LEU 65 14.399 12.709 -5.192 513 1HD2 LEU 65 HD21 LEU 65 11.227 15.124 -6.756 514 2HD2 LEU 65 HD22 LEU 65 12.914 15.418 -7.165 515 3HD2 LEU 65 HD23 LEU 65 12.073 14.017 -7.862 516 H GLN 66 H GLN 66 8.687 11.794 -3.359 517 HA GLN 66 HA GLN 66 7.978 9.428 -4.838 518 1HB GLN 66 HB2 GLN 66 6.707 10.900 -2.520 519 2HB GLN 66 HB3 GLN 66 5.789 9.659 -3.380 520 1HG GLN 66 HG2 GLN 66 7.643 8.028 -3.024 521 2HG GLN 66 HG3 GLN 66 8.470 9.212 -2.021 522 1HE2 GLN 66 HE22 GLN 66 7.186 6.465 -1.331 523 2HE2 GLN 66 HE21 GLN 66 6.018 6.836 -0.093 524 H GLY 67 H GLY 67 6.688 9.117 -6.491 525 1HA GLY 67 HA2 GLY 67 4.952 9.355 -7.971 526 2HA GLY 67 HA3 GLY 67 4.428 10.839 -7.165 527 H PHE 68 H PHE 68 7.802 11.015 -7.891 528 HA PHE 68 HA PHE 68 7.293 13.179 -9.745 529 1HB PHE 68 HB2 PHE 68 9.141 13.218 -8.119 530 2HB PHE 68 HB3 PHE 68 9.875 11.808 -8.878 531 HD1 PHE 68 HD1 PHE 68 11.112 12.000 -10.978 532 HD2 PHE 68 HD2 PHE 68 9.159 15.432 -9.232 533 HE1 PHE 68 HE1 PHE 68 12.359 13.499 -12.512 534 HE2 PHE 68 HE2 PHE 68 10.421 16.924 -10.764 535 HZ PHE 68 HZ PHE 68 12.023 15.959 -12.406 536 H LYS 69 H LYS 69 6.980 12.947 -11.913 537 HA LYS 69 HA LYS 69 7.434 10.449 -13.335 538 1HB LYS 69 HB2 LYS 69 6.539 13.219 -14.090 539 2HB LYS 69 HB3 LYS 69 7.414 12.316 -15.324 540 1HG LYS 69 HG2 LYS 69 5.127 11.892 -15.680 541 2HG LYS 69 HG3 LYS 69 5.893 10.419 -15.107 542 1HD LYS 69 HD2 LYS 69 5.013 10.959 -12.777 543 2HD LYS 69 HD3 LYS 69 4.046 12.241 -13.512 544 1HE LYS 69 HE2 LYS 69 4.009 9.296 -14.347 545 2HE LYS 69 HE3 LYS 69 2.885 10.003 -13.171 546 1HZ LYS 69 HZ1 LYS 69 2.163 11.539 -14.985 547 2HZ LYS 69 HZ2 LYS 69 3.047 10.641 -16.053 548 3HZ LYS 69 HZ3 LYS 69 1.802 9.973 -15.250 549 H ILE 70 H ILE 70 9.429 9.653 -13.457 550 HA ILE 70 HA ILE 70 11.811 11.367 -13.821 551 HB ILE 70 HB ILE 70 11.417 8.385 -14.153 552 1HG1 ILE 70 HG12 ILE 70 12.802 9.878 -11.885 553 2HG1 ILE 70 HG13 ILE 70 11.125 9.345 -11.805 554 1HG2 ILE 70 HG21 ILE 70 13.317 9.272 -15.488 555 2HG2 ILE 70 HG22 ILE 70 13.944 10.104 -14.050 556 3HG2 ILE 70 HG23 ILE 70 13.924 8.329 -14.126 557 1HD1 ILE 70 HD11 ILE 70 13.515 7.488 -12.145 558 2HD1 ILE 70 HD12 ILE 70 12.548 7.731 -10.693 559 3HD1 ILE 70 HD13 ILE 70 11.801 7.002 -12.116 560 H THR 71 H THR 71 9.584 9.254 -15.754 561 HA THR 71 HA THR 71 9.899 11.069 -18.031 562 HB THR 71 HB THR 71 9.666 9.050 -19.540 563 HG1 THR 71 HG1 THR 71 10.179 7.053 -18.718 564 1HG2 THR 71 HG21 THR 71 11.885 10.150 -19.232 565 2HG2 THR 71 HG22 THR 71 12.239 9.030 -17.899 566 3HG2 THR 71 HG23 THR 71 12.026 8.413 -19.550 567 HA PRO 72 HA PRO 72 5.747 11.673 -17.931 568 1HB PRO 72 HB2 PRO 72 5.308 10.225 -20.553 569 2HB PRO 72 HB3 PRO 72 4.609 11.783 -20.002 570 1HG PRO 72 HG2 PRO 72 6.775 11.802 -21.608 571 2HG PRO 72 HG3 PRO 72 6.737 12.880 -20.174 572 1HD PRO 72 HD2 PRO 72 8.144 10.238 -20.513 573 2HD PRO 72 HD3 PRO 72 8.719 11.734 -19.718 574 H THR 73 H THR 73 6.368 8.218 -18.408 575 HA THR 73 HA THR 73 3.750 7.583 -17.167 576 HB THR 73 HB THR 73 4.052 5.419 -18.558 577 HG1 THR 73 HG1 THR 73 5.466 5.546 -20.258 578 1HG2 THR 73 HG21 THR 73 3.134 6.421 -20.588 579 2HG2 THR 73 HG22 THR 73 2.442 7.218 -19.169 580 3HG2 THR 73 HG23 THR 73 3.712 8.031 -20.108 581 H HIS 74 H HIS 74 6.724 7.946 -16.115 582 HA HIS 74 HA HIS 74 6.687 5.472 -14.452 583 1HB HIS 74 HB2 HIS 74 9.091 6.730 -15.805 584 2HB HIS 74 HB3 HIS 74 9.157 5.517 -14.531 585 HD1 HIS 74 HD1 HIS 74 8.842 2.993 -15.262 586 HD2 HIS 74 HD2 HIS 74 8.012 5.859 -18.232 587 HE1 HIS 74 HE1 HIS 74 8.441 1.697 -17.409 588 H ALA 75 H ALA 75 5.432 6.847 -13.134 589 HA ALA 75 HA ALA 75 6.602 9.075 -11.683 590 1HB ALA 75 HB1 ALA 75 4.715 8.682 -10.130 591 2HB ALA 75 HB2 ALA 75 4.151 8.774 -11.801 592 3HB ALA 75 HB3 ALA 75 4.287 7.196 -10.996 593 H MET 76 H MET 76 8.443 8.696 -10.605 594 HA MET 76 HA MET 76 9.550 6.380 -9.587 595 1HB MET 76 HB2 MET 76 10.585 8.644 -9.809 596 2HB MET 76 HB3 MET 76 9.626 9.217 -8.455 597 1HG MET 76 HG2 MET 76 10.750 7.407 -7.044 598 2HG MET 76 HG3 MET 76 11.840 7.141 -8.405 599 1HE MET 76 HE1 MET 76 12.120 10.300 -9.462 600 2HE MET 76 HE2 MET 76 13.574 10.785 -8.567 601 3HE MET 76 HE3 MET 76 13.515 9.197 -9.354 602 H LYS 77 H LYS 77 8.821 4.954 -8.076 603 HA LYS 77 HA LYS 77 7.176 5.973 -5.782 604 1HB LYS 77 HB2 LYS 77 7.836 3.196 -6.795 605 2HB LYS 77 HB3 LYS 77 7.109 3.518 -5.205 606 1HG LYS 77 HG2 LYS 77 5.235 4.714 -6.543 607 2HG LYS 77 HG3 LYS 77 5.904 3.889 -7.957 608 1HD LYS 77 HD2 LYS 77 4.620 2.721 -5.475 609 2HD LYS 77 HD3 LYS 77 4.156 2.476 -7.162 610 1HE LYS 77 HE2 LYS 77 6.234 1.112 -7.511 611 2HE LYS 77 HE3 LYS 77 6.691 1.399 -5.831 612 1HZ LYS 77 HZ1 LYS 77 5.703 -0.666 -5.832 613 2HZ LYS 77 HZ2 LYS 77 4.540 0.291 -5.227 614 3HZ LYS 77 HZ3 LYS 77 4.426 -0.222 -6.778 615 H ILE 78 H ILE 78 8.066 5.617 -3.689 616 HA ILE 78 HA ILE 78 10.928 4.871 -3.493 617 HB ILE 78 HB ILE 78 9.723 7.353 -2.226 618 1HG1 ILE 78 HG12 ILE 78 11.640 7.271 -4.580 619 2HG1 ILE 78 HG13 ILE 78 9.952 7.770 -4.645 620 1HG2 ILE 78 HG21 ILE 78 12.612 6.442 -2.297 621 2HG2 ILE 78 HG22 ILE 78 11.988 7.881 -1.479 622 3HG2 ILE 78 HG23 ILE 78 11.534 6.296 -0.899 623 1HD1 ILE 78 HD11 ILE 78 10.479 9.653 -3.103 624 2HD1 ILE 78 HD12 ILE 78 12.206 9.232 -3.239 625 3HD1 ILE 78 HD13 ILE 78 11.294 9.727 -4.666 626 H THR 79 H THR 79 11.284 3.732 -1.632 627 HA THR 79 HA THR 79 9.342 3.739 0.595 628 HB THR 79 HB THR 79 9.878 1.136 0.605 629 HG1 THR 79 HG1 THR 79 11.086 1.578 -1.554 630 1HG2 THR 79 HG21 THR 79 7.602 2.170 0.359 631 2HG2 THR 79 HG22 THR 79 7.860 2.251 -1.392 632 3HG2 THR 79 HG23 THR 79 7.806 0.676 -0.563 633 H PHE 80 H PHE 80 10.480 3.147 2.649 634 HA PHE 80 HA PHE 80 13.285 4.029 2.572 635 1HB PHE 80 HB2 PHE 80 11.496 2.995 4.802 636 2HB PHE 80 HB3 PHE 80 13.208 3.326 5.029 637 HD1 PHE 80 HD1 PHE 80 10.029 4.752 5.416 638 HD2 PHE 80 HD2 PHE 80 14.034 5.726 4.147 639 HE1 PHE 80 HE1 PHE 80 9.585 7.161 5.835 640 HE2 PHE 80 HE2 PHE 80 13.565 8.134 4.499 641 HZ PHE 80 HZ PHE 80 11.323 8.850 5.327 642 H ALA 81 H ALA 81 15.002 2.720 2.236 643 HA ALA 81 HA ALA 81 14.648 -0.200 2.024 644 1HB ALA 81 HB1 ALA 81 17.013 -0.214 1.385 645 2HB ALA 81 HB2 ALA 81 16.152 0.990 0.430 646 3HB ALA 81 HB3 ALA 81 17.164 1.499 1.799 647 H LYS 82 H LYS 82 16.839 -1.219 3.227 648 HA LYS 82 HA LYS 82 16.595 -0.445 6.114 649 1HB LYS 82 HB2 LYS 82 16.721 -3.253 4.928 650 2HB LYS 82 HB3 LYS 82 16.659 -2.844 6.649 651 1HG LYS 82 HG2 LYS 82 14.446 -1.718 6.264 652 2HG LYS 82 HG3 LYS 82 14.485 -2.259 4.587 653 1HD LYS 82 HD2 LYS 82 13.125 -3.832 5.662 654 2HD LYS 82 HD3 LYS 82 14.672 -4.651 5.422 655 1HE LYS 82 HE2 LYS 82 15.284 -4.136 7.796 656 2HE LYS 82 HE3 LYS 82 13.729 -3.317 8.006 657 1HZ LYS 82 HZ1 LYS 82 14.062 -6.196 7.386 658 2HZ LYS 82 HZ2 LYS 82 13.660 -5.580 8.839 659 3HZ LYS 82 HZ3 LYS 82 12.626 -5.434 7.588 660 H LYS 83 H LYS 83 18.419 -1.725 7.375 661 HA LYS 83 HA LYS 83 20.979 -1.802 5.933 662 1HB LYS 83 HB2 LYS 83 20.470 -0.259 8.524 663 2HB LYS 83 HB3 LYS 83 22.065 -0.718 7.917 664 1HG LYS 83 HG2 LYS 83 21.579 0.568 5.809 665 2HG LYS 83 HG3 LYS 83 20.108 1.191 6.569 666 1HD LYS 83 HD2 LYS 83 22.954 1.557 7.595 667 2HD LYS 83 HD3 LYS 83 22.025 2.767 6.699 668 1HE LYS 83 HE2 LYS 83 20.384 2.938 8.499 669 2HE LYS 83 HE3 LYS 83 21.142 1.607 9.379 670 1HZ LYS 83 HZ1 LYS 83 23.102 2.972 9.689 671 2HZ LYS 83 HZ2 LYS 83 22.457 4.220 8.845 672 3HZ LYS 83 HZ3 LYS 83 21.797 3.754 10.268 Start of MODEL 19 1 1H ALA 1 H1 ALA 1 4.065 -5.169 -3.502 2 2H ALA 1 H2 ALA 1 3.716 -6.171 -2.262 3 3H ALA 1 H3 ALA 1 2.509 -5.621 -3.233 4 HA ALA 1 HA ALA 1 2.841 -3.383 -2.500 5 1HB ALA 1 HB1 ALA 1 1.221 -4.728 -1.213 6 2HB ALA 1 HB2 ALA 1 2.525 -5.315 -0.154 7 3HB ALA 1 HB3 ALA 1 2.085 -3.594 -0.161 8 H GLN 2 H GLN 2 4.250 -1.850 -1.752 9 HA GLN 2 HA GLN 2 6.955 -2.622 -1.120 10 1HB GLN 2 HB2 GLN 2 7.424 -0.293 -0.958 11 2HB GLN 2 HB3 GLN 2 6.397 -0.552 -2.358 12 1HG GLN 2 HG2 GLN 2 4.418 0.231 -1.028 13 2HG GLN 2 HG3 GLN 2 5.480 0.518 0.352 14 1HE2 GLN 2 HE22 GLN 2 7.760 1.732 -1.028 15 2HE2 GLN 2 HE21 GLN 2 7.210 3.309 -1.470 16 H THR 3 H THR 3 8.040 -1.555 0.890 17 HA THR 3 HA THR 3 6.467 -2.117 3.351 18 HB THR 3 HB THR 3 8.729 -3.234 4.069 19 HG1 THR 3 HG1 THR 3 8.791 -3.742 1.272 20 1HG2 THR 3 HG21 THR 3 6.607 -4.456 3.897 21 2HG2 THR 3 HG22 THR 3 6.830 -4.646 2.145 22 3HG2 THR 3 HG23 THR 3 7.954 -5.427 3.281 23 H GLU 4 H GLU 4 6.341 0.290 3.173 24 HA GLU 4 HA GLU 4 8.695 1.908 3.624 25 1HB GLU 4 HB2 GLU 4 5.728 2.400 4.115 26 2HB GLU 4 HB3 GLU 4 6.992 3.610 4.385 27 1HG GLU 4 HG2 GLU 4 7.660 3.496 2.013 28 2HG GLU 4 HG3 GLU 4 6.422 2.282 1.702 29 H GLN 5 H GLN 5 9.176 2.966 5.710 30 HA GLN 5 HA GLN 5 8.588 1.427 8.139 31 1HB GLN 5 HB2 GLN 5 11.305 1.632 6.731 32 2HB GLN 5 HB3 GLN 5 11.181 1.231 8.424 33 1HG GLN 5 HG2 GLN 5 10.024 -0.447 6.176 34 2HG GLN 5 HG3 GLN 5 11.535 -0.733 7.020 35 1HE2 GLN 5 HE22 GLN 5 7.988 -0.769 7.364 36 2HE2 GLN 5 HE21 GLN 5 7.964 -1.772 8.807 37 HA PRO 6 HA PRO 6 9.922 5.406 10.049 38 1HB PRO 6 HB2 PRO 6 11.993 3.699 11.446 39 2HB PRO 6 HB3 PRO 6 11.006 5.037 12.114 40 1HG PRO 6 HG2 PRO 6 10.295 2.469 12.593 41 2HG PRO 6 HG3 PRO 6 9.037 3.667 12.139 42 1HD PRO 6 HD2 PRO 6 10.397 1.610 10.394 43 2HD PRO 6 HD3 PRO 6 8.664 2.050 10.467 44 HA PRO 7 HA PRO 7 13.026 6.683 7.261 45 1HB PRO 7 HB2 PRO 7 14.293 8.183 9.570 46 2HB PRO 7 HB3 PRO 7 14.005 8.746 7.895 47 1HG PRO 7 HG2 PRO 7 12.284 9.436 9.857 48 2HG PRO 7 HG3 PRO 7 11.641 8.876 8.277 49 1HD PRO 7 HD2 PRO 7 11.900 7.324 10.858 50 2HD PRO 7 HD3 PRO 7 10.570 7.345 9.660 51 H ASN 8 H ASN 8 15.024 6.201 6.398 52 HA ASN 8 HA ASN 8 17.266 5.345 8.081 53 1HB ASN 8 HB2 ASN 8 16.204 3.165 7.549 54 2HB ASN 8 HB3 ASN 8 16.106 3.611 5.847 55 1HD2 ASN 8 HD22 ASN 8 17.476 2.065 4.971 56 2HD2 ASN 8 HD21 ASN 8 19.197 2.010 5.324 57 H GLN 9 H GLN 9 19.279 5.681 6.916 58 HA GLN 9 HA GLN 9 19.128 7.879 5.039 59 1HB GLN 9 HB2 GLN 9 21.433 8.134 5.368 60 2HB GLN 9 HB3 GLN 9 20.732 7.758 6.928 61 1HG GLN 9 HG2 GLN 9 21.500 5.371 6.665 62 2HG GLN 9 HG3 GLN 9 22.274 5.822 5.140 63 1HE2 GLN 9 HE22 GLN 9 23.790 7.884 5.350 64 2HE2 GLN 9 HE21 GLN 9 24.834 7.868 6.752 65 H ILE 10 H ILE 10 18.509 4.827 4.222 66 HA ILE 10 HA ILE 10 19.789 5.079 1.587 67 HB ILE 10 HB ILE 10 19.656 2.433 3.087 68 1HG1 ILE 10 HG12 ILE 10 22.098 4.152 2.487 69 2HG1 ILE 10 HG13 ILE 10 21.407 3.839 4.082 70 1HG2 ILE 10 HG21 ILE 10 20.879 1.507 1.162 71 2HG2 ILE 10 HG22 ILE 10 19.412 2.253 0.581 72 3HG2 ILE 10 HG23 ILE 10 20.954 3.112 0.404 73 1HD1 ILE 10 HD11 ILE 10 23.325 2.462 3.873 74 2HD1 ILE 10 HD12 ILE 10 21.903 1.402 3.802 75 3HD1 ILE 10 HD13 ILE 10 22.801 1.812 2.316 76 H LEU 11 H LEU 11 18.388 4.460 -0.015 77 HA LEU 11 HA LEU 11 15.568 3.844 0.758 78 1HB LEU 11 HB2 LEU 11 16.573 5.698 -1.435 79 2HB LEU 11 HB3 LEU 11 14.891 5.346 -1.055 80 HG LEU 11 HG LEU 11 16.836 6.847 0.755 81 1HD1 LEU 11 HD11 LEU 11 15.471 8.819 0.214 82 2HD1 LEU 11 HD12 LEU 11 16.218 8.135 -1.237 83 3HD1 LEU 11 HD13 LEU 11 14.497 7.850 -0.911 84 1HD2 LEU 11 HD21 LEU 11 14.729 7.381 2.052 85 2HD2 LEU 11 HD22 LEU 11 13.884 6.156 1.085 86 3HD2 LEU 11 HD23 LEU 11 15.248 5.696 2.136 87 H PHE 12 H PHE 12 14.455 2.601 -0.774 88 HA PHE 12 HA PHE 12 16.017 1.381 -2.995 89 1HB PHE 12 HB2 PHE 12 15.602 -0.358 -1.314 90 2HB PHE 12 HB3 PHE 12 13.904 0.104 -1.208 91 HD1 PHE 12 HD1 PHE 12 12.396 -1.321 -2.358 92 HD2 PHE 12 HD2 PHE 12 16.350 -0.735 -3.966 93 HE1 PHE 12 HE1 PHE 12 11.946 -3.019 -4.107 94 HE2 PHE 12 HE2 PHE 12 15.878 -2.383 -5.744 95 HZ PHE 12 HZ PHE 12 13.685 -3.551 -5.815 96 H LEU 13 H LEU 13 14.942 1.543 -4.935 97 HA LEU 13 HA LEU 13 12.377 3.086 -4.940 98 1HB LEU 13 HB2 LEU 13 15.028 3.552 -6.366 99 2HB LEU 13 HB3 LEU 13 13.508 4.060 -7.063 100 HG LEU 13 HG LEU 13 13.010 5.445 -5.052 101 1HD1 LEU 13 HD11 LEU 13 15.112 6.151 -3.733 102 2HD1 LEU 13 HD12 LEU 13 14.419 4.592 -3.309 103 3HD1 LEU 13 HD13 LEU 13 15.872 4.655 -4.323 104 1HD2 LEU 13 HD21 LEU 13 15.602 6.034 -6.571 105 2HD2 LEU 13 HD22 LEU 13 13.962 6.334 -7.180 106 3HD2 LEU 13 HD23 LEU 13 14.553 7.227 -5.780 107 H THR 14 H THR 14 11.021 2.603 -6.596 108 HA THR 14 HA THR 14 11.650 0.394 -8.467 109 HB THR 14 HB THR 14 9.433 -0.630 -7.704 110 HG1 THR 14 HG1 THR 14 8.786 -0.076 -5.601 111 1HG2 THR 14 HG21 THR 14 11.667 -1.555 -6.969 112 2HG2 THR 14 HG22 THR 14 11.542 -0.560 -5.510 113 3HG2 THR 14 HG23 THR 14 10.347 -1.833 -5.826 114 H ASN 15 H ASN 15 9.640 0.047 -9.919 115 HA ASN 15 HA ASN 15 8.407 0.784 -11.607 116 1HB ASN 15 HB2 ASN 15 6.845 1.296 -9.700 117 2HB ASN 15 HB3 ASN 15 7.415 2.964 -9.744 118 1HD2 ASN 15 HD22 ASN 15 6.015 4.285 -10.853 119 2HD2 ASN 15 HD21 ASN 15 4.954 3.758 -12.159 120 H LEU 16 H LEU 16 11.120 1.817 -11.363 121 HA LEU 16 HA LEU 16 11.145 4.578 -12.344 122 1HB LEU 16 HB2 LEU 16 13.429 2.596 -12.365 123 2HB LEU 16 HB3 LEU 16 13.522 4.343 -12.322 124 HG LEU 16 HG LEU 16 12.575 2.570 -10.038 125 1HD1 LEU 16 HD11 LEU 16 14.645 3.159 -8.966 126 2HD1 LEU 16 HD12 LEU 16 14.979 2.419 -10.543 127 3HD1 LEU 16 HD13 LEU 16 15.125 4.170 -10.354 128 1HD2 LEU 16 HD21 LEU 16 13.208 5.517 -9.808 129 2HD2 LEU 16 HD22 LEU 16 11.564 4.969 -10.214 130 3HD2 LEU 16 HD23 LEU 16 12.280 4.472 -8.710 131 HA PRO 17 HA PRO 17 11.096 3.775 -16.782 132 1HB PRO 17 HB2 PRO 17 13.879 4.844 -16.950 133 2HB PRO 17 HB3 PRO 17 12.442 5.251 -17.924 134 1HG PRO 17 HG2 PRO 17 13.422 6.814 -15.880 135 2HG PRO 17 HG3 PRO 17 11.686 6.769 -16.310 136 1HD PRO 17 HD2 PRO 17 13.029 5.640 -13.947 137 2HD PRO 17 HD3 PRO 17 11.317 6.023 -14.194 138 H GLU 18 H GLU 18 11.805 2.083 -18.173 139 HA GLU 18 HA GLU 18 13.616 0.055 -17.133 140 1HB GLU 18 HB2 GLU 18 12.271 0.413 -19.850 141 2HB GLU 18 HB3 GLU 18 13.207 -1.010 -19.365 142 1HG GLU 18 HG2 GLU 18 11.643 -1.396 -17.469 143 2HG GLU 18 HG3 GLU 18 10.660 -0.034 -18.006 144 H GLU 19 H GLU 19 14.423 3.007 -18.016 145 HA GLU 19 HA GLU 19 16.929 2.287 -19.296 146 1HB GLU 19 HB2 GLU 19 15.187 4.657 -20.105 147 2HB GLU 19 HB3 GLU 19 16.720 4.176 -20.842 148 1HG GLU 19 HG2 GLU 19 15.618 2.016 -21.558 149 2HG GLU 19 HG3 GLU 19 14.079 2.664 -20.966 150 H THR 20 H THR 20 15.817 3.242 -16.490 151 HA THR 20 HA THR 20 16.864 5.831 -15.903 152 HB THR 20 HB THR 20 16.766 3.483 -13.976 153 HG1 THR 20 HG1 THR 20 14.752 3.405 -14.750 154 1HG2 THR 20 HG21 THR 20 16.177 6.472 -13.674 155 2HG2 THR 20 HG22 THR 20 16.046 5.254 -12.390 156 3HG2 THR 20 HG23 THR 20 17.638 5.641 -13.073 157 H ASN 21 H ASN 21 18.867 6.451 -15.073 158 HA ASN 21 HA ASN 21 21.060 4.479 -15.106 159 1HB ASN 21 HB2 ASN 21 21.045 5.587 -17.340 160 2HB ASN 21 HB3 ASN 21 21.085 7.165 -16.550 161 1HD2 ASN 21 HD22 ASN 21 23.107 7.670 -17.657 162 2HD2 ASN 21 HD21 ASN 21 24.599 6.986 -17.066 163 H GLU 22 H GLU 22 22.876 5.291 -13.834 164 HA GLU 22 HA GLU 22 22.086 6.277 -11.307 165 1HB GLU 22 HB2 GLU 22 24.068 4.824 -11.989 166 2HB GLU 22 HB3 GLU 22 24.878 6.296 -12.537 167 1HG GLU 22 HG2 GLU 22 24.702 7.209 -10.218 168 2HG GLU 22 HG3 GLU 22 23.905 5.711 -9.712 169 H MET 23 H MET 23 23.478 7.945 -14.094 170 HA MET 23 HA MET 23 23.924 10.464 -12.909 171 1HB MET 23 HB2 MET 23 23.244 9.668 -15.776 172 2HB MET 23 HB3 MET 23 23.629 11.319 -15.289 173 1HG MET 23 HG2 MET 23 25.608 10.375 -16.147 174 2HG MET 23 HG3 MET 23 25.804 10.578 -14.408 175 1HE MET 23 HE1 MET 23 28.008 9.145 -14.455 176 2HE MET 23 HE2 MET 23 28.132 7.536 -15.200 177 3HE MET 23 HE3 MET 23 27.835 8.963 -16.216 178 H MET 24 H MET 24 20.936 9.102 -14.300 179 HA MET 24 HA MET 24 19.446 11.558 -14.367 180 1HB MET 24 HB2 MET 24 18.350 8.714 -13.954 181 2HB MET 24 HB3 MET 24 17.412 10.166 -14.292 182 1HG MET 24 HG2 MET 24 18.602 10.406 -16.454 183 2HG MET 24 HG3 MET 24 19.510 8.924 -16.090 184 1HE MET 24 HE1 MET 24 17.196 7.674 -18.961 185 2HE MET 24 HE2 MET 24 18.038 9.234 -18.816 186 3HE MET 24 HE3 MET 24 18.854 7.730 -18.325 187 H LEU 25 H LEU 25 19.543 8.915 -11.984 188 HA LEU 25 HA LEU 25 17.807 10.315 -10.163 189 1HB LEU 25 HB2 LEU 25 19.722 7.997 -9.704 190 2HB LEU 25 HB3 LEU 25 18.531 8.576 -8.527 191 HG LEU 25 HG LEU 25 18.086 7.115 -11.137 192 1HD1 LEU 25 HD11 LEU 25 17.148 6.698 -8.259 193 2HD1 LEU 25 HD12 LEU 25 16.695 5.671 -9.640 194 3HD1 LEU 25 HD13 LEU 25 18.381 5.762 -9.131 195 1HD2 LEU 25 HD21 LEU 25 16.031 8.774 -9.634 196 2HD2 LEU 25 HD22 LEU 25 16.486 8.870 -11.361 197 3HD2 LEU 25 HD23 LEU 25 15.602 7.466 -10.770 198 H SER 26 H SER 26 21.369 10.174 -10.536 199 HA SER 26 HA SER 26 22.028 11.507 -8.117 200 1HB SER 26 HB2 SER 26 23.383 11.758 -10.839 201 2HB SER 26 HB3 SER 26 24.060 12.263 -9.283 202 HG SER 26 HG SER 26 23.379 9.636 -10.123 203 H MET 27 H MET 27 21.212 12.879 -11.368 204 HA MET 27 HA MET 27 21.378 15.602 -10.497 205 1HB MET 27 HB2 MET 27 19.715 14.377 -12.744 206 2HB MET 27 HB3 MET 27 19.973 16.112 -12.510 207 1HG MET 27 HG2 MET 27 22.165 14.079 -12.914 208 2HG MET 27 HG3 MET 27 21.483 15.072 -14.199 209 1HE MET 27 HE1 MET 27 24.077 15.597 -14.743 210 2HE MET 27 HE2 MET 27 25.196 16.340 -13.576 211 3HE MET 27 HE3 MET 27 24.594 14.687 -13.305 212 H LEU 28 H LEU 28 18.731 13.255 -10.427 213 HA LEU 28 HA LEU 28 16.753 15.210 -9.610 214 1HB LEU 28 HB2 LEU 28 16.753 12.193 -9.274 215 2HB LEU 28 HB3 LEU 28 15.407 13.232 -8.823 216 HG LEU 28 HG LEU 28 16.522 12.940 -11.638 217 1HD1 LEU 28 HD11 LEU 28 13.870 12.014 -10.473 218 2HD1 LEU 28 HD12 LEU 28 14.443 11.779 -12.139 219 3HD1 LEU 28 HD13 LEU 28 15.266 10.962 -10.804 220 1HD2 LEU 28 HD21 LEU 28 14.164 14.580 -10.627 221 2HD2 LEU 28 HD22 LEU 28 15.630 15.189 -11.434 222 3HD2 LEU 28 HD23 LEU 28 14.487 14.210 -12.338 223 H PHE 29 H PHE 29 18.593 12.850 -7.610 224 HA PHE 29 HA PHE 29 17.394 14.066 -5.222 225 1HB PHE 29 HB2 PHE 29 19.293 11.744 -5.663 226 2HB PHE 29 HB3 PHE 29 18.871 12.361 -4.065 227 HD1 PHE 29 HD1 PHE 29 17.449 10.636 -7.047 228 HD2 PHE 29 HD2 PHE 29 16.802 11.975 -3.006 229 HE1 PHE 29 HE1 PHE 29 15.412 9.238 -6.902 230 HE2 PHE 29 HE2 PHE 29 14.765 10.571 -2.857 231 HZ PHE 29 HZ PHE 29 14.064 9.211 -4.811 232 H ASN 30 H ASN 30 20.531 14.466 -6.878 233 HA ASN 30 HA ASN 30 21.967 15.262 -4.588 234 1HB ASN 30 HB2 ASN 30 23.686 16.027 -5.968 235 2HB ASN 30 HB3 ASN 30 23.000 14.622 -6.756 236 1HD2 ASN 30 HD22 ASN 30 24.423 15.734 -8.512 237 2HD2 ASN 30 HD21 ASN 30 23.603 16.872 -9.549 238 H GLN 31 H GLN 31 19.402 16.906 -6.070 239 HA GLN 31 HA GLN 31 19.993 19.622 -5.580 240 1HB GLN 31 HB2 GLN 31 17.348 18.105 -5.402 241 2HB GLN 31 HB3 GLN 31 17.514 19.863 -5.461 242 1HG GLN 31 HG2 GLN 31 18.583 19.688 -7.704 243 2HG GLN 31 HG3 GLN 31 18.362 17.936 -7.667 244 1HE2 GLN 31 HE22 GLN 31 16.115 17.082 -7.567 245 2HE2 GLN 31 HE21 GLN 31 14.803 18.044 -8.228 246 H PHE 32 H PHE 32 19.079 16.953 -3.374 247 HA PHE 32 HA PHE 32 18.382 18.789 -1.210 248 1HB PHE 32 HB2 PHE 32 18.807 15.783 -1.122 249 2HB PHE 32 HB3 PHE 32 18.023 16.766 0.106 250 HD1 PHE 32 HD1 PHE 32 15.934 18.252 -0.837 251 HD2 PHE 32 HD2 PHE 32 17.447 14.662 -2.678 252 HE1 PHE 32 HE1 PHE 32 13.832 18.016 -2.139 253 HE2 PHE 32 HE2 PHE 32 15.364 14.438 -3.978 254 HZ PHE 32 HZ PHE 32 13.572 16.125 -3.751 255 HA PRO 33 HA PRO 33 22.649 19.164 -0.019 256 1HB PRO 33 HB2 PRO 33 22.446 20.430 2.404 257 2HB PRO 33 HB3 PRO 33 21.954 21.182 0.864 258 1HG PRO 33 HG2 PRO 33 20.182 19.744 2.865 259 2HG PRO 33 HG3 PRO 33 19.944 21.370 2.147 260 1HD PRO 33 HD2 PRO 33 18.738 19.149 1.123 261 2HD PRO 33 HD3 PRO 33 19.327 20.466 0.064 262 H GLY 34 H GLY 34 21.284 16.541 0.618 263 1HA GLY 34 HA2 GLY 34 23.162 15.570 2.706 264 2HA GLY 34 HA3 GLY 34 21.428 15.216 2.833 265 H PHE 35 H PHE 35 21.871 15.168 -0.458 266 HA PHE 35 HA PHE 35 21.826 12.315 -0.682 267 1HB PHE 35 HB2 PHE 35 20.840 13.586 -2.417 268 2HB PHE 35 HB3 PHE 35 22.216 14.670 -2.532 269 HD1 PHE 35 HD1 PHE 35 20.787 11.508 -3.744 270 HD2 PHE 35 HD2 PHE 35 24.324 13.976 -3.680 271 HE1 PHE 35 HE1 PHE 35 21.617 10.379 -5.784 272 HE2 PHE 35 HE2 PHE 35 25.197 12.749 -5.657 273 HZ PHE 35 HZ PHE 35 23.841 10.966 -6.712 274 H LYS 36 H LYS 36 23.446 10.976 -1.335 275 HA LYS 36 HA LYS 36 26.256 11.986 -1.295 276 1HB LYS 36 HB2 LYS 36 25.165 9.527 0.143 277 2HB LYS 36 HB3 LYS 36 26.872 9.823 -0.200 278 1HG LYS 36 HG2 LYS 36 26.734 11.986 1.071 279 2HG LYS 36 HG3 LYS 36 25.055 11.620 1.469 280 1HD LYS 36 HD2 LYS 36 26.538 11.084 3.335 281 2HD LYS 36 HD3 LYS 36 25.772 9.602 2.715 282 1HE LYS 36 HE2 LYS 36 27.787 9.053 1.460 283 2HE LYS 36 HE3 LYS 36 28.543 10.577 1.950 284 1HZ LYS 36 HZ1 LYS 36 28.523 9.774 4.244 285 2HZ LYS 36 HZ2 LYS 36 27.814 8.367 3.796 286 3HZ LYS 36 HZ3 LYS 36 29.321 8.722 3.297 287 H GLU 37 H GLU 37 24.074 9.178 -2.237 288 HA GLU 37 HA GLU 37 25.483 9.070 -4.773 289 1HB GLU 37 HB2 GLU 37 26.927 7.862 -2.822 290 2HB GLU 37 HB3 GLU 37 25.800 6.547 -3.126 291 1HG GLU 37 HG2 GLU 37 26.487 6.561 -5.535 292 2HG GLU 37 HG3 GLU 37 27.535 7.941 -5.224 293 H VAL 38 H VAL 38 24.803 6.938 -5.948 294 HA VAL 38 HA VAL 38 22.349 5.705 -5.115 295 HB VAL 38 HB VAL 38 21.245 7.521 -6.066 296 1HG1 VAL 38 HG11 VAL 38 23.039 8.795 -7.062 297 2HG1 VAL 38 HG12 VAL 38 23.226 7.603 -8.360 298 3HG1 VAL 38 HG13 VAL 38 21.753 8.582 -8.243 299 1HG2 VAL 38 HG21 VAL 38 20.108 6.781 -7.978 300 2HG2 VAL 38 HG22 VAL 38 21.459 5.775 -8.544 301 3HG2 VAL 38 HG23 VAL 38 20.505 5.327 -7.114 302 H ARG 39 H ARG 39 21.942 3.821 -6.441 303 HA ARG 39 HA ARG 39 24.103 2.968 -8.270 304 1HB ARG 39 HB2 ARG 39 23.022 1.223 -5.995 305 2HB ARG 39 HB3 ARG 39 24.185 0.763 -7.230 306 1HG ARG 39 HG2 ARG 39 25.660 1.166 -5.544 307 2HG ARG 39 HG3 ARG 39 25.606 2.791 -6.223 308 1HD ARG 39 HD2 ARG 39 23.739 3.262 -4.470 309 2HD ARG 39 HD3 ARG 39 24.164 1.695 -3.772 310 HE ARG 39 HE ARG 39 26.392 3.600 -4.163 311 1HH1 ARG 39 HH21 ARG 39 23.992 2.378 -1.803 312 2HH1 ARG 39 HH22 ARG 39 24.822 3.104 -0.450 313 1HH2 ARG 39 HH11 ARG 39 27.397 4.459 -2.476 314 2HH2 ARG 39 HH12 ARG 39 26.747 4.425 -0.835 315 H LEU 40 H LEU 40 23.282 1.557 -9.851 316 HA LEU 40 HA LEU 40 20.302 1.311 -9.990 317 1HB LEU 40 HB2 LEU 40 22.398 2.136 -11.989 318 2HB LEU 40 HB3 LEU 40 21.168 1.061 -12.592 319 HG LEU 40 HG LEU 40 20.705 3.454 -12.985 320 1HD1 LEU 40 HD11 LEU 40 18.865 1.941 -13.111 321 2HD1 LEU 40 HD12 LEU 40 18.652 1.916 -11.348 322 3HD1 LEU 40 HD13 LEU 40 18.311 3.389 -12.263 323 1HD2 LEU 40 HD21 LEU 40 20.031 4.967 -11.282 324 2HD2 LEU 40 HD22 LEU 40 20.055 3.705 -10.031 325 3HD2 LEU 40 HD23 LEU 40 21.574 4.260 -10.755 326 H VAL 41 H VAL 41 19.631 -0.540 -11.347 327 HA VAL 41 HA VAL 41 21.443 -2.909 -11.116 328 HB VAL 41 HB VAL 41 18.428 -2.827 -11.300 329 1HG1 VAL 41 HG11 VAL 41 18.607 -5.243 -10.741 330 2HG1 VAL 41 HG12 VAL 41 19.395 -4.880 -12.277 331 3HG1 VAL 41 HG13 VAL 41 20.377 -5.130 -10.815 332 1HG2 VAL 41 HG21 VAL 41 20.302 -3.275 -8.930 333 2HG2 VAL 41 HG22 VAL 41 19.066 -2.009 -9.101 334 3HG2 VAL 41 HG23 VAL 41 18.583 -3.692 -8.905 335 HA PRO 42 HA PRO 42 21.412 -1.445 -15.394 336 1HB PRO 42 HB2 PRO 42 23.974 -2.110 -16.176 337 2HB PRO 42 HB3 PRO 42 23.603 -0.750 -15.083 338 1HG PRO 42 HG2 PRO 42 24.358 -3.589 -14.297 339 2HG PRO 42 HG3 PRO 42 25.131 -2.056 -13.764 340 1HD PRO 42 HD2 PRO 42 23.235 -3.234 -12.247 341 2HD PRO 42 HD3 PRO 42 23.246 -1.453 -12.465 342 H ASN 43 H ASN 43 20.376 -3.987 -14.564 343 HA ASN 43 HA ASN 43 20.240 -5.220 -17.179 344 1HB ASN 43 HB2 ASN 43 20.216 -7.492 -16.367 345 2HB ASN 43 HB3 ASN 43 21.710 -6.728 -15.853 346 1HD2 ASN 43 HD22 ASN 43 22.118 -6.527 -13.589 347 2HD2 ASN 43 HD21 ASN 43 21.025 -7.148 -12.381 348 H ARG 44 H ARG 44 18.638 -3.668 -14.665 349 HA ARG 44 HA ARG 44 16.037 -4.589 -15.801 350 1HB ARG 44 HB2 ARG 44 16.888 -4.498 -12.898 351 2HB ARG 44 HB3 ARG 44 15.271 -3.975 -13.316 352 1HG ARG 44 HG2 ARG 44 14.904 -6.167 -14.527 353 2HG ARG 44 HG3 ARG 44 16.478 -6.700 -13.919 354 1HD ARG 44 HD2 ARG 44 14.705 -7.574 -12.511 355 2HD ARG 44 HD3 ARG 44 15.663 -6.405 -11.585 356 HE ARG 44 HE ARG 44 13.644 -4.844 -12.592 357 1HH1 ARG 44 HH21 ARG 44 13.593 -7.841 -10.674 358 2HH1 ARG 44 HH22 ARG 44 12.091 -7.473 -9.912 359 1HH2 ARG 44 HH11 ARG 44 11.703 -4.357 -11.633 360 2HH2 ARG 44 HH12 ARG 44 10.970 -5.439 -10.481 361 H HIS 45 H HIS 45 17.839 -2.059 -14.078 362 HA HIS 45 HA HIS 45 17.704 0.092 -13.832 363 1HB HIS 45 HB2 HIS 45 16.004 0.282 -16.322 364 2HB HIS 45 HB3 HIS 45 17.007 1.531 -15.607 365 HD1 HIS 45 HD1 HIS 45 17.121 -0.372 -18.541 366 HD2 HIS 45 HD2 HIS 45 19.834 0.346 -15.403 367 HE1 HIS 45 HE1 HIS 45 19.446 -0.907 -19.461 368 H ASP 46 H ASP 46 14.555 -1.498 -14.111 369 HA ASP 46 HA ASP 46 13.000 0.796 -13.483 370 1HB ASP 46 HB2 ASP 46 11.138 -0.582 -13.528 371 2HB ASP 46 HB3 ASP 46 12.230 -1.298 -14.709 372 H ILE 47 H ILE 47 15.092 -0.897 -11.509 373 HA ILE 47 HA ILE 47 13.885 0.309 -9.163 374 HB ILE 47 HB ILE 47 14.133 -1.491 -7.728 375 1HG1 ILE 47 HG12 ILE 47 16.338 -2.322 -8.347 376 2HG1 ILE 47 HG13 ILE 47 15.170 -3.594 -8.056 377 1HG2 ILE 47 HG21 ILE 47 12.162 -1.745 -9.194 378 2HG2 ILE 47 HG22 ILE 47 13.092 -2.779 -10.273 379 3HG2 ILE 47 HG23 ILE 47 12.766 -3.308 -8.610 380 1HD1 ILE 47 HD11 ILE 47 14.952 -3.990 -10.475 381 2HD1 ILE 47 HD12 ILE 47 16.133 -2.696 -10.791 382 3HD1 ILE 47 HD13 ILE 47 16.608 -4.160 -9.899 383 H ALA 48 H ALA 48 15.512 0.808 -7.491 384 HA ALA 48 HA ALA 48 18.354 0.811 -8.221 385 1HB ALA 48 HB1 ALA 48 18.515 3.274 -8.267 386 2HB ALA 48 HB2 ALA 48 17.407 2.743 -9.543 387 3HB ALA 48 HB3 ALA 48 16.770 3.423 -8.030 388 H PHE 49 H PHE 49 19.576 2.161 -6.515 389 HA PHE 49 HA PHE 49 18.128 2.294 -3.919 390 1HB PHE 49 HB2 PHE 49 20.892 1.112 -4.411 391 2HB PHE 49 HB3 PHE 49 20.284 1.563 -2.828 392 HD1 PHE 49 HD1 PHE 49 19.667 -0.738 -5.719 393 HD2 PHE 49 HD2 PHE 49 18.902 0.103 -1.545 394 HE1 PHE 49 HE1 PHE 49 18.619 -2.974 -5.476 395 HE2 PHE 49 HE2 PHE 49 17.931 -2.175 -1.286 396 HZ PHE 49 HZ PHE 49 17.794 -3.713 -3.236 397 H VAL 50 H VAL 50 18.706 4.134 -2.681 398 HA VAL 50 HA VAL 50 20.720 6.002 -3.856 399 HB VAL 50 HB VAL 50 17.907 6.717 -2.942 400 1HG1 VAL 50 HG11 VAL 50 18.419 8.973 -3.805 401 2HG1 VAL 50 HG12 VAL 50 19.500 8.539 -2.479 402 3HG1 VAL 50 HG13 VAL 50 20.088 8.472 -4.150 403 1HG2 VAL 50 HG21 VAL 50 19.034 6.770 -5.755 404 2HG2 VAL 50 HG22 VAL 50 17.834 5.618 -5.149 405 3HG2 VAL 50 HG23 VAL 50 17.432 7.332 -5.249 406 H GLU 51 H GLU 51 21.777 7.350 -2.242 407 HA GLU 51 HA GLU 51 21.424 6.440 0.567 408 1HB GLU 51 HB2 GLU 51 23.062 5.001 -0.481 409 2HB GLU 51 HB3 GLU 51 23.953 6.383 -1.135 410 1HG GLU 51 HG2 GLU 51 24.616 7.107 1.078 411 2HG GLU 51 HG3 GLU 51 23.549 5.926 1.851 412 H PHE 52 H PHE 52 21.933 7.877 2.072 413 HA PHE 52 HA PHE 52 22.558 10.682 1.313 414 1HB PHE 52 HB2 PHE 52 20.209 9.405 2.706 415 2HB PHE 52 HB3 PHE 52 20.739 10.948 3.302 416 HD1 PHE 52 HD1 PHE 52 19.976 12.919 2.395 417 HD2 PHE 52 HD2 PHE 52 19.722 9.308 0.055 418 HE1 PHE 52 HE1 PHE 52 18.731 14.147 0.641 419 HE2 PHE 52 HE2 PHE 52 18.507 10.553 -1.716 420 HZ PHE 52 HZ PHE 52 18.048 12.975 -1.433 421 H THR 53 H THR 53 23.084 11.982 3.105 422 HA THR 53 HA THR 53 25.002 11.060 4.987 423 HB THR 53 HB THR 53 23.299 13.588 4.804 424 HG1 THR 53 HG1 THR 53 24.578 13.371 3.024 425 1HG2 THR 53 HG21 THR 53 25.784 13.050 6.471 426 2HG2 THR 53 HG22 THR 53 25.112 14.669 6.139 427 3HG2 THR 53 HG23 THR 53 24.157 13.486 7.044 428 H THR 54 H THR 54 21.527 12.018 5.442 429 HA THR 54 HA THR 54 21.534 10.576 8.025 430 HB THR 54 HB THR 54 20.103 12.802 8.620 431 HG1 THR 54 HG1 THR 54 21.231 14.597 7.882 432 1HG2 THR 54 HG21 THR 54 23.122 12.543 8.852 433 2HG2 THR 54 HG22 THR 54 22.093 13.650 9.793 434 3HG2 THR 54 HG23 THR 54 21.908 11.898 9.977 435 H GLU 55 H GLU 55 19.646 9.953 8.757 436 HA GLU 55 HA GLU 55 17.813 8.889 6.905 437 1HB GLU 55 HB2 GLU 55 17.216 9.337 9.860 438 2HB GLU 55 HB3 GLU 55 16.559 8.117 8.779 439 1HG GLU 55 HG2 GLU 55 18.029 6.812 9.889 440 2HG GLU 55 HG3 GLU 55 19.094 7.330 8.595 441 H LEU 56 H LEU 56 17.668 11.880 8.817 442 HA LEU 56 HA LEU 56 14.921 12.523 8.269 443 1HB LEU 56 HB2 LEU 56 17.355 14.077 9.194 444 2HB LEU 56 HB3 LEU 56 15.912 14.940 8.671 445 HG LEU 56 HG LEU 56 14.528 13.784 10.332 446 1HD1 LEU 56 HD11 LEU 56 15.600 12.518 12.193 447 2HD1 LEU 56 HD12 LEU 56 15.707 11.665 10.655 448 3HD1 LEU 56 HD13 LEU 56 17.133 12.518 11.296 449 1HD2 LEU 56 HD21 LEU 56 15.589 15.948 10.859 450 2HD2 LEU 56 HD22 LEU 56 15.432 14.945 12.307 451 3HD2 LEU 56 HD23 LEU 56 17.012 15.106 11.509 452 H GLN 57 H GLN 57 17.977 13.072 6.480 453 HA GLN 57 HA GLN 57 16.657 14.929 4.643 454 1HB GLN 57 HB2 GLN 57 19.454 13.725 4.600 455 2HB GLN 57 HB3 GLN 57 18.821 14.936 3.466 456 1HG GLN 57 HG2 GLN 57 18.264 16.373 5.537 457 2HG GLN 57 HG3 GLN 57 19.271 15.250 6.457 458 1HE2 GLN 57 HE22 GLN 57 21.594 15.094 5.851 459 2HE2 GLN 57 HE21 GLN 57 22.353 16.434 4.993 460 H SER 58 H SER 58 17.745 11.440 4.518 461 HA SER 58 HA SER 58 16.818 11.045 1.836 462 1HB SER 58 HB2 SER 58 16.505 8.649 2.615 463 2HB SER 58 HB3 SER 58 18.130 9.305 2.781 464 HG SER 58 HG SER 58 16.951 8.151 4.650 465 H ASN 59 H ASN 59 15.131 10.849 5.036 466 HA ASN 59 HA ASN 59 12.615 10.101 4.041 467 1HB ASN 59 HB2 ASN 59 12.963 10.091 6.406 468 2HB ASN 59 HB3 ASN 59 13.387 11.797 6.433 469 1HD2 ASN 59 HD22 ASN 59 11.766 13.187 7.065 470 2HD2 ASN 59 HD21 ASN 59 10.063 12.831 6.962 471 H ALA 60 H ALA 60 13.830 13.454 4.498 472 HA ALA 60 HA ALA 60 11.465 14.662 3.473 473 1HB ALA 60 HB1 ALA 60 12.833 16.679 3.212 474 2HB ALA 60 HB2 ALA 60 13.140 15.893 4.773 475 3HB ALA 60 HB3 ALA 60 14.319 15.726 3.443 476 H ALA 61 H ALA 61 14.425 13.601 1.786 477 HA ALA 61 HA ALA 61 13.681 14.560 -0.806 478 1HB ALA 61 HB1 ALA 61 15.427 12.178 -0.030 479 2HB ALA 61 HB2 ALA 61 15.343 12.960 -1.618 480 3HB ALA 61 HB3 ALA 61 15.971 13.863 -0.219 481 H LYS 62 H LYS 62 13.121 11.435 0.855 482 HA LYS 62 HA LYS 62 11.797 10.111 -1.271 483 1HB LYS 62 HB2 LYS 62 12.675 8.888 0.575 484 2HB LYS 62 HB3 LYS 62 11.761 9.795 1.760 485 1HG LYS 62 HG2 LYS 62 10.169 8.302 -0.294 486 2HG LYS 62 HG3 LYS 62 11.068 7.340 0.889 487 1HD LYS 62 HD2 LYS 62 9.965 8.446 2.753 488 2HD LYS 62 HD3 LYS 62 9.127 9.557 1.653 489 1HE LYS 62 HE2 LYS 62 8.016 7.647 0.551 490 2HE LYS 62 HE3 LYS 62 8.809 6.525 1.665 491 1HZ LYS 62 HZ1 LYS 62 6.941 8.685 2.477 492 2HZ LYS 62 HZ2 LYS 62 6.563 7.056 2.309 493 3HZ LYS 62 HZ3 LYS 62 7.603 7.562 3.471 494 H GLU 63 H GLU 63 10.437 12.079 1.463 495 HA GLU 63 HA GLU 63 7.755 11.860 0.569 496 1HB GLU 63 HB2 GLU 63 9.177 14.020 2.180 497 2HB GLU 63 HB3 GLU 63 7.431 13.980 1.945 498 1HG GLU 63 HG2 GLU 63 9.020 11.724 3.244 499 2HG GLU 63 HG3 GLU 63 8.244 13.024 4.124 500 H ALA 64 H ALA 64 10.328 14.110 -0.380 501 HA ALA 64 HA ALA 64 8.687 15.894 -1.882 502 1HB ALA 64 HB1 ALA 64 10.946 16.450 -1.035 503 2HB ALA 64 HB2 ALA 64 11.653 15.261 -2.157 504 3HB ALA 64 HB3 ALA 64 10.826 16.694 -2.792 505 H LEU 65 H LEU 65 10.550 12.954 -2.876 506 HA LEU 65 HA LEU 65 9.617 13.413 -5.671 507 1HB LEU 65 HB2 LEU 65 11.975 11.845 -4.581 508 2HB LEU 65 HB3 LEU 65 11.503 11.891 -6.273 509 HG LEU 65 HG LEU 65 12.473 14.255 -4.636 510 1HD1 LEU 65 HD11 LEU 65 13.691 12.740 -6.990 511 2HD1 LEU 65 HD12 LEU 65 14.393 14.172 -6.206 512 3HD1 LEU 65 HD13 LEU 65 14.226 12.658 -5.303 513 1HD2 LEU 65 HD21 LEU 65 11.590 14.152 -7.558 514 2HD2 LEU 65 HD22 LEU 65 10.847 15.112 -6.255 515 3HD2 LEU 65 HD23 LEU 65 12.472 15.499 -6.808 516 H GLN 66 H GLN 66 8.730 11.301 -3.101 517 HA GLN 66 HA GLN 66 8.311 8.981 -4.702 518 1HB GLN 66 HB2 GLN 66 8.078 9.207 -2.133 519 2HB GLN 66 HB3 GLN 66 6.444 9.800 -2.457 520 1HG GLN 66 HG2 GLN 66 6.139 7.589 -3.796 521 2HG GLN 66 HG3 GLN 66 7.710 7.105 -3.146 522 1HE2 GLN 66 HE22 GLN 66 7.519 5.833 -1.259 523 2HE2 GLN 66 HE21 GLN 66 6.244 5.992 -0.072 524 H GLY 67 H GLY 67 6.990 8.622 -6.345 525 1HA GLY 67 HA2 GLY 67 5.060 8.731 -7.651 526 2HA GLY 67 HA3 GLY 67 4.518 10.176 -6.798 527 H PHE 68 H PHE 68 7.771 10.775 -7.577 528 HA PHE 68 HA PHE 68 7.061 12.774 -9.499 529 1HB PHE 68 HB2 PHE 68 8.936 12.997 -7.929 530 2HB PHE 68 HB3 PHE 68 9.738 11.597 -8.639 531 HD1 PHE 68 HD1 PHE 68 8.850 15.163 -9.139 532 HD2 PHE 68 HD2 PHE 68 10.969 11.755 -10.726 533 HE1 PHE 68 HE1 PHE 68 10.083 16.650 -10.697 534 HE2 PHE 68 HE2 PHE 68 12.188 13.246 -12.289 535 HZ PHE 68 HZ PHE 68 11.754 15.695 -12.276 536 H LYS 69 H LYS 69 6.752 12.506 -11.655 537 HA LYS 69 HA LYS 69 7.326 10.027 -13.066 538 1HB LYS 69 HB2 LYS 69 6.271 12.738 -13.826 539 2HB LYS 69 HB3 LYS 69 7.160 11.863 -15.069 540 1HG LYS 69 HG2 LYS 69 4.884 11.322 -15.356 541 2HG LYS 69 HG3 LYS 69 5.743 9.896 -14.794 542 1HD LYS 69 HD2 LYS 69 4.901 10.406 -12.444 543 2HD LYS 69 HD3 LYS 69 3.846 11.629 -13.160 544 1HE LYS 69 HE2 LYS 69 3.947 8.681 -13.976 545 2HE LYS 69 HE3 LYS 69 2.821 9.332 -12.772 546 1HZ LYS 69 HZ1 LYS 69 2.866 9.967 -15.661 547 2HZ LYS 69 HZ2 LYS 69 1.686 9.226 -14.825 548 3HZ LYS 69 HZ3 LYS 69 1.959 10.811 -14.570 549 H ILE 70 H ILE 70 9.347 9.333 -13.261 550 HA ILE 70 HA ILE 70 11.646 11.152 -13.661 551 HB ILE 70 HB ILE 70 11.365 8.158 -14.015 552 1HG1 ILE 70 HG12 ILE 70 12.734 9.689 -11.764 553 2HG1 ILE 70 HG13 ILE 70 11.079 9.098 -11.654 554 1HG2 ILE 70 HG21 ILE 70 13.822 9.977 -13.939 555 2HG2 ILE 70 HG22 ILE 70 13.871 8.205 -14.037 556 3HG2 ILE 70 HG23 ILE 70 13.204 9.142 -15.376 557 1HD1 ILE 70 HD11 ILE 70 12.578 7.538 -10.575 558 2HD1 ILE 70 HD12 ILE 70 11.816 6.785 -11.981 559 3HD1 ILE 70 HD13 ILE 70 13.515 7.320 -12.055 560 H THR 71 H THR 71 9.469 8.944 -15.559 561 HA THR 71 HA THR 71 9.631 10.795 -17.825 562 HB THR 71 HB THR 71 9.471 8.799 -19.356 563 HG1 THR 71 HG1 THR 71 10.054 6.804 -18.580 564 1HG2 THR 71 HG21 THR 71 12.064 8.829 -17.745 565 2HG2 THR 71 HG22 THR 71 11.848 8.240 -19.407 566 3HG2 THR 71 HG23 THR 71 11.657 9.965 -19.050 567 HA PRO 72 HA PRO 72 5.455 11.183 -17.608 568 1HB PRO 72 HB2 PRO 72 5.020 9.739 -20.232 569 2HB PRO 72 HB3 PRO 72 4.256 11.254 -19.645 570 1HG PRO 72 HG2 PRO 72 6.373 11.399 -21.310 571 2HG PRO 72 HG3 PRO 72 6.320 12.460 -19.863 572 1HD PRO 72 HD2 PRO 72 7.850 9.895 -20.269 573 2HD PRO 72 HD3 PRO 72 8.372 11.412 -19.476 574 H THR 73 H THR 73 6.248 7.772 -18.134 575 HA THR 73 HA THR 73 3.699 6.981 -16.839 576 HB THR 73 HB THR 73 4.085 4.852 -18.260 577 HG1 THR 73 HG1 THR 73 5.450 5.072 -19.991 578 1HG2 THR 73 HG21 THR 73 2.367 6.568 -18.816 579 2HG2 THR 73 HG22 THR 73 3.570 7.455 -19.776 580 3HG2 THR 73 HG23 THR 73 3.067 5.821 -20.259 581 H HIS 74 H HIS 74 6.685 7.493 -15.860 582 HA HIS 74 HA HIS 74 6.812 5.009 -14.218 583 1HB HIS 74 HB2 HIS 74 9.117 6.366 -15.642 584 2HB HIS 74 HB3 HIS 74 9.272 5.161 -14.369 585 HD1 HIS 74 HD1 HIS 74 9.051 2.627 -15.083 586 HD2 HIS 74 HD2 HIS 74 8.003 5.440 -18.035 587 HE1 HIS 74 HE1 HIS 74 8.643 1.306 -17.215 588 H ALA 75 H ALA 75 5.554 6.310 -12.847 589 HA ALA 75 HA ALA 75 6.646 8.593 -11.430 590 1HB ALA 75 HB1 ALA 75 4.495 6.556 -10.668 591 2HB ALA 75 HB2 ALA 75 4.861 8.053 -9.794 592 3HB ALA 75 HB3 ALA 75 4.221 8.133 -11.439 593 H MET 76 H MET 76 8.492 8.384 -10.340 594 HA MET 76 HA MET 76 9.850 6.175 -9.407 595 1HB MET 76 HB2 MET 76 10.654 8.532 -9.602 596 2HB MET 76 HB3 MET 76 9.673 8.986 -8.218 597 1HG MET 76 HG2 MET 76 10.952 7.316 -6.849 598 2HG MET 76 HG3 MET 76 12.006 7.041 -8.235 599 1HE MET 76 HE1 MET 76 12.310 10.106 -9.416 600 2HE MET 76 HE2 MET 76 13.780 10.594 -8.549 601 3HE MET 76 HE3 MET 76 13.664 8.964 -9.241 602 H LYS 77 H LYS 77 8.987 4.560 -8.084 603 HA LYS 77 HA LYS 77 7.418 5.398 -5.703 604 1HB LYS 77 HB2 LYS 77 6.603 3.500 -7.036 605 2HB LYS 77 HB3 LYS 77 8.136 2.657 -6.812 606 1HG LYS 77 HG2 LYS 77 7.783 2.484 -4.421 607 2HG LYS 77 HG3 LYS 77 6.362 3.535 -4.491 608 1HD LYS 77 HD2 LYS 77 6.546 0.810 -5.852 609 2HD LYS 77 HD3 LYS 77 5.853 1.085 -4.246 610 1HE LYS 77 HE2 LYS 77 4.181 2.645 -5.222 611 2HE LYS 77 HE3 LYS 77 4.850 2.360 -6.833 612 1HZ LYS 77 HZ1 LYS 77 4.208 0.026 -6.615 613 2HZ LYS 77 HZ2 LYS 77 3.569 0.300 -5.133 614 3HZ LYS 77 HZ3 LYS 77 2.913 0.996 -6.448 615 H ILE 78 H ILE 78 8.377 5.123 -3.642 616 HA ILE 78 HA ILE 78 11.286 4.556 -3.518 617 HB ILE 78 HB ILE 78 9.973 6.959 -2.187 618 1HG1 ILE 78 HG12 ILE 78 11.647 7.032 -4.724 619 2HG1 ILE 78 HG13 ILE 78 9.935 7.411 -4.595 620 1HG2 ILE 78 HG21 ILE 78 12.268 7.639 -1.655 621 2HG2 ILE 78 HG22 ILE 78 12.022 6.008 -1.081 622 3HG2 ILE 78 HG23 ILE 78 12.918 6.283 -2.586 623 1HD1 ILE 78 HD11 ILE 78 10.538 9.272 -3.010 624 2HD1 ILE 78 HD12 ILE 78 12.244 8.992 -3.424 625 3HD1 ILE 78 HD13 ILE 78 11.102 9.472 -4.679 626 H THR 79 H THR 79 11.794 3.509 -1.641 627 HA THR 79 HA THR 79 9.894 3.352 0.616 628 HB THR 79 HB THR 79 11.441 0.957 -0.482 629 HG1 THR 79 HG1 THR 79 10.083 1.388 -2.123 630 1HG2 THR 79 HG21 THR 79 8.916 1.140 1.215 631 2HG2 THR 79 HG22 THR 79 9.750 -0.353 0.717 632 3HG2 THR 79 HG23 THR 79 10.548 0.762 1.827 633 H PHE 80 H PHE 80 11.192 2.917 2.652 634 HA PHE 80 HA PHE 80 13.985 3.811 2.487 635 1HB PHE 80 HB2 PHE 80 12.321 2.677 4.770 636 2HB PHE 80 HB3 PHE 80 13.997 3.179 4.915 637 HD1 PHE 80 HD1 PHE 80 10.564 4.318 4.946 638 HD2 PHE 80 HD2 PHE 80 14.626 5.601 4.313 639 HE1 PHE 80 HE1 PHE 80 9.873 6.670 5.292 640 HE2 PHE 80 HE2 PHE 80 13.933 7.964 4.626 641 HZ PHE 80 HZ PHE 80 11.537 8.490 5.118 642 H ALA 81 H ALA 81 15.772 2.437 2.414 643 HA ALA 81 HA ALA 81 15.319 -0.421 1.840 644 1HB ALA 81 HB1 ALA 81 17.891 1.158 2.288 645 2HB ALA 81 HB2 ALA 81 17.781 -0.513 1.710 646 3HB ALA 81 HB3 ALA 81 17.164 0.805 0.700 647 H LYS 82 H LYS 82 16.175 -2.081 3.343 648 HA LYS 82 HA LYS 82 16.082 -1.158 6.190 649 1HB LYS 82 HB2 LYS 82 15.000 -3.773 5.090 650 2HB LYS 82 HB3 LYS 82 15.009 -3.234 6.759 651 1HG LYS 82 HG2 LYS 82 12.882 -2.599 6.291 652 2HG LYS 82 HG3 LYS 82 13.693 -1.120 5.778 653 1HD LYS 82 HD2 LYS 82 12.014 -1.743 4.144 654 2HD LYS 82 HD3 LYS 82 13.599 -1.969 3.401 655 1HE LYS 82 HE2 LYS 82 13.467 -4.421 3.935 656 2HE LYS 82 HE3 LYS 82 11.860 -4.164 4.624 657 1HZ LYS 82 HZ1 LYS 82 11.815 -4.964 2.327 658 2HZ LYS 82 HZ2 LYS 82 11.061 -3.534 2.451 659 3HZ LYS 82 HZ3 LYS 82 12.569 -3.621 1.794 660 H LYS 83 H LYS 83 18.088 -1.220 6.896 661 HA LYS 83 HA LYS 83 20.233 -2.715 5.754 662 1HB LYS 83 HB2 LYS 83 19.954 -1.390 8.483 663 2HB LYS 83 HB3 LYS 83 21.469 -1.997 7.808 664 1HG LYS 83 HG2 LYS 83 21.368 -0.430 5.940 665 2HG LYS 83 HG3 LYS 83 19.777 0.142 6.434 666 1HD LYS 83 HD2 LYS 83 22.367 0.559 7.972 667 2HD LYS 83 HD3 LYS 83 21.476 1.752 7.015 668 1HE LYS 83 HE2 LYS 83 19.461 1.118 8.615 669 2HE LYS 83 HE3 LYS 83 20.735 0.499 9.676 670 1HZ LYS 83 HZ1 LYS 83 20.388 3.257 8.681 671 2HZ LYS 83 HZ2 LYS 83 20.258 2.759 10.231 672 3HZ LYS 83 HZ3 LYS 83 21.731 2.777 9.522 Start of MODEL 20 1 1H ALA 1 H1 ALA 1 10.789 -8.047 -1.001 2 2H ALA 1 H2 ALA 1 9.200 -7.875 -0.652 3 3H ALA 1 H3 ALA 1 9.673 -8.910 -1.834 4 HA ALA 1 HA ALA 1 10.499 -7.150 -3.180 5 1HB ALA 1 HB1 ALA 1 8.375 -6.038 -3.785 6 2HB ALA 1 HB2 ALA 1 8.188 -7.789 -3.598 7 3HB ALA 1 HB3 ALA 1 7.605 -6.697 -2.326 8 H GLN 2 H GLN 2 8.361 -5.256 -0.955 9 HA GLN 2 HA GLN 2 10.586 -3.659 0.015 10 1HB GLN 2 HB2 GLN 2 9.797 -1.550 -0.854 11 2HB GLN 2 HB3 GLN 2 10.109 -2.647 -2.193 12 1HG GLN 2 HG2 GLN 2 7.537 -3.152 -2.098 13 2HG GLN 2 HG3 GLN 2 7.441 -1.673 -1.139 14 1HE2 GLN 2 HE22 GLN 2 9.192 0.120 -2.409 15 2HE2 GLN 2 HE21 GLN 2 8.795 0.248 -4.110 16 H THR 3 H THR 3 9.745 -2.111 1.724 17 HA THR 3 HA THR 3 7.091 -2.797 2.814 18 HB THR 3 HB THR 3 9.545 -2.962 4.605 19 HG1 THR 3 HG1 THR 3 9.953 -4.542 3.113 20 1HG2 THR 3 HG21 THR 3 7.309 -2.840 5.672 21 2HG2 THR 3 HG22 THR 3 6.786 -4.266 4.755 22 3HG2 THR 3 HG23 THR 3 8.079 -4.402 5.969 23 H GLU 4 H GLU 4 6.276 -1.083 4.104 24 HA GLU 4 HA GLU 4 7.693 1.494 4.016 25 1HB GLU 4 HB2 GLU 4 5.077 0.586 5.309 26 2HB GLU 4 HB3 GLU 4 5.724 2.231 5.404 27 1HG GLU 4 HG2 GLU 4 5.672 2.402 2.924 28 2HG GLU 4 HG3 GLU 4 4.985 0.779 2.824 29 H GLN 5 H GLN 5 8.697 2.433 5.869 30 HA GLN 5 HA GLN 5 8.963 0.890 8.358 31 1HB GLN 5 HB2 GLN 5 11.257 1.552 6.446 32 2HB GLN 5 HB3 GLN 5 11.512 1.103 8.117 33 1HG GLN 5 HG2 GLN 5 10.214 -0.721 6.049 34 2HG GLN 5 HG3 GLN 5 11.908 -0.721 6.485 35 1HE2 GLN 5 HE22 GLN 5 8.636 -1.457 7.689 36 2HE2 GLN 5 HE21 GLN 5 9.169 -2.446 9.040 37 HA PRO 6 HA PRO 6 9.735 5.095 9.972 38 1HB PRO 6 HB2 PRO 6 12.160 3.846 11.269 39 2HB PRO 6 HB3 PRO 6 10.945 4.948 11.987 40 1HG PRO 6 HG2 PRO 6 10.855 2.289 12.507 41 2HG PRO 6 HG3 PRO 6 9.340 3.186 12.160 42 1HD PRO 6 HD2 PRO 6 10.976 1.462 10.287 43 2HD PRO 6 HD3 PRO 6 9.201 1.505 10.518 44 HA PRO 7 HA PRO 7 12.726 6.866 7.214 45 1HB PRO 7 HB2 PRO 7 13.822 8.353 9.613 46 2HB PRO 7 HB3 PRO 7 13.482 8.978 7.971 47 1HG PRO 7 HG2 PRO 7 11.703 9.396 9.964 48 2HG PRO 7 HG3 PRO 7 11.120 8.884 8.346 49 1HD PRO 7 HD2 PRO 7 11.507 7.195 10.826 50 2HD PRO 7 HD3 PRO 7 10.169 7.182 9.636 51 H ASN 8 H ASN 8 14.734 6.412 6.395 52 HA ASN 8 HA ASN 8 16.953 5.506 8.092 53 1HB ASN 8 HB2 ASN 8 15.832 3.368 7.615 54 2HB ASN 8 HB3 ASN 8 15.679 3.801 5.910 55 1HD2 ASN 8 HD22 ASN 8 16.947 2.243 4.955 56 2HD2 ASN 8 HD21 ASN 8 18.675 2.085 5.249 57 H GLN 9 H GLN 9 18.956 5.728 6.919 58 HA GLN 9 HA GLN 9 18.912 7.932 5.041 59 1HB GLN 9 HB2 GLN 9 21.249 8.026 5.360 60 2HB GLN 9 HB3 GLN 9 20.519 7.708 6.926 61 1HG GLN 9 HG2 GLN 9 21.064 5.271 6.655 62 2HG GLN 9 HG3 GLN 9 21.884 5.646 5.130 63 1HE2 GLN 9 HE22 GLN 9 23.533 7.659 5.429 64 2HE2 GLN 9 HE21 GLN 9 24.588 7.473 6.817 65 H ILE 10 H ILE 10 18.113 4.910 4.233 66 HA ILE 10 HA ILE 10 19.383 5.116 1.598 67 HB ILE 10 HB ILE 10 19.170 2.451 3.052 68 1HG1 ILE 10 HG12 ILE 10 21.605 4.204 2.579 69 2HG1 ILE 10 HG13 ILE 10 20.945 3.663 4.125 70 1HG2 ILE 10 HG21 ILE 10 20.329 1.508 1.126 71 2HG2 ILE 10 HG22 ILE 10 18.935 2.370 0.527 72 3HG2 ILE 10 HG23 ILE 10 20.539 3.118 0.406 73 1HD1 ILE 10 HD11 ILE 10 21.509 1.287 3.439 74 2HD1 ILE 10 HD12 ILE 10 22.420 1.985 2.079 75 3HD1 ILE 10 HD13 ILE 10 22.887 2.368 3.741 76 H LEU 11 H LEU 11 17.958 4.568 0.003 77 HA LEU 11 HA LEU 11 15.122 4.020 0.773 78 1HB LEU 11 HB2 LEU 11 16.172 5.826 -1.441 79 2HB LEU 11 HB3 LEU 11 14.484 5.508 -1.070 80 HG LEU 11 HG LEU 11 16.437 6.991 0.747 81 1HD1 LEU 11 HD11 LEU 11 15.891 8.267 -1.273 82 2HD1 LEU 11 HD12 LEU 11 14.157 8.041 -0.970 83 3HD1 LEU 11 HD13 LEU 11 15.143 8.993 0.157 84 1HD2 LEU 11 HD21 LEU 11 14.336 7.595 2.006 85 2HD2 LEU 11 HD22 LEU 11 13.459 6.398 1.032 86 3HD2 LEU 11 HD23 LEU 11 14.789 5.891 2.103 87 H PHE 12 H PHE 12 14.005 2.765 -0.727 88 HA PHE 12 HA PHE 12 15.562 1.471 -2.915 89 1HB PHE 12 HB2 PHE 12 15.002 -0.208 -1.213 90 2HB PHE 12 HB3 PHE 12 13.325 0.331 -1.188 91 HD1 PHE 12 HD1 PHE 12 11.759 -0.845 -2.534 92 HD2 PHE 12 HD2 PHE 12 15.909 -0.833 -3.686 93 HE1 PHE 12 HE1 PHE 12 11.284 -2.531 -4.292 94 HE2 PHE 12 HE2 PHE 12 15.426 -2.480 -5.466 95 HZ PHE 12 HZ PHE 12 13.113 -3.353 -5.764 96 H LEU 13 H LEU 13 14.597 1.710 -4.879 97 HA LEU 13 HA LEU 13 12.174 3.452 -5.017 98 1HB LEU 13 HB2 LEU 13 14.961 3.725 -6.144 99 2HB LEU 13 HB3 LEU 13 13.629 4.078 -7.216 100 HG LEU 13 HG LEU 13 12.690 5.687 -5.545 101 1HD1 LEU 13 HD11 LEU 13 14.316 6.592 -3.850 102 2HD1 LEU 13 HD12 LEU 13 13.782 4.947 -3.488 103 3HD1 LEU 13 HD13 LEU 13 15.387 5.214 -4.182 104 1HD2 LEU 13 HD21 LEU 13 14.035 6.357 -7.526 105 2HD2 LEU 13 HD22 LEU 13 14.274 7.433 -6.152 106 3HD2 LEU 13 HD23 LEU 13 15.516 6.231 -6.548 107 H THR 14 H THR 14 10.828 3.077 -6.715 108 HA THR 14 HA THR 14 11.205 0.685 -8.415 109 HB THR 14 HB THR 14 8.713 0.215 -7.503 110 HG1 THR 14 HG1 THR 14 10.045 1.545 -5.385 111 1HG2 THR 14 HG21 THR 14 11.301 -0.672 -6.224 112 2HG2 THR 14 HG22 THR 14 9.711 -1.350 -5.793 113 3HG2 THR 14 HG23 THR 14 10.310 -1.505 -7.444 114 H ASN 15 H ASN 15 9.225 0.428 -9.852 115 HA ASN 15 HA ASN 15 8.045 1.135 -11.575 116 1HB ASN 15 HB2 ASN 15 6.488 1.838 -9.725 117 2HB ASN 15 HB3 ASN 15 7.152 3.469 -9.853 118 1HD2 ASN 15 HD22 ASN 15 5.747 4.772 -10.985 119 2HD2 ASN 15 HD21 ASN 15 4.730 4.239 -12.319 120 H LEU 16 H LEU 16 10.795 1.967 -11.414 121 HA LEU 16 HA LEU 16 11.012 4.712 -12.389 122 1HB LEU 16 HB2 LEU 16 13.127 2.550 -12.395 123 2HB LEU 16 HB3 LEU 16 13.387 4.279 -12.421 124 HG LEU 16 HG LEU 16 12.339 2.656 -10.072 125 1HD1 LEU 16 HD11 LEU 16 14.972 4.121 -10.416 126 2HD1 LEU 16 HD12 LEU 16 14.465 3.088 -9.057 127 3HD1 LEU 16 HD13 LEU 16 14.746 2.382 -10.656 128 1HD2 LEU 16 HD21 LEU 16 12.270 4.626 -8.761 129 2HD2 LEU 16 HD22 LEU 16 13.117 5.585 -9.991 130 3HD2 LEU 16 HD23 LEU 16 11.430 5.062 -10.224 131 HA PRO 17 HA PRO 17 10.860 3.952 -16.798 132 1HB PRO 17 HB2 PRO 17 13.610 5.029 -17.130 133 2HB PRO 17 HB3 PRO 17 12.088 5.533 -17.910 134 1HG PRO 17 HG2 PRO 17 13.394 6.855 -15.822 135 2HG PRO 17 HG3 PRO 17 11.659 7.056 -16.211 136 1HD PRO 17 HD2 PRO 17 12.871 5.719 -13.922 137 2HD PRO 17 HD3 PRO 17 11.180 6.166 -14.188 138 H GLU 18 H GLU 18 11.566 2.409 -18.324 139 HA GLU 18 HA GLU 18 13.341 0.291 -17.502 140 1HB GLU 18 HB2 GLU 18 12.923 -0.604 -19.740 141 2HB GLU 18 HB3 GLU 18 11.420 -0.088 -18.979 142 1HG GLU 18 HG2 GLU 18 11.444 2.008 -20.310 143 2HG GLU 18 HG3 GLU 18 12.969 1.532 -21.054 144 H GLU 19 H GLU 19 14.086 3.380 -18.440 145 HA GLU 19 HA GLU 19 16.658 2.650 -19.578 146 1HB GLU 19 HB2 GLU 19 16.480 4.661 -20.970 147 2HB GLU 19 HB3 GLU 19 15.090 3.601 -21.211 148 1HG GLU 19 HG2 GLU 19 13.698 5.028 -19.768 149 2HG GLU 19 HG3 GLU 19 15.069 6.089 -19.448 150 H THR 20 H THR 20 15.657 3.345 -16.683 151 HA THR 20 HA THR 20 16.785 5.848 -15.940 152 HB THR 20 HB THR 20 16.467 3.374 -14.185 153 HG1 THR 20 HG1 THR 20 14.495 3.570 -14.973 154 1HG2 THR 20 HG21 THR 20 16.185 6.368 -13.603 155 2HG2 THR 20 HG22 THR 20 15.901 5.054 -12.446 156 3HG2 THR 20 HG23 THR 20 17.536 5.338 -13.059 157 H ASN 21 H ASN 21 18.809 6.305 -14.914 158 HA ASN 21 HA ASN 21 20.937 4.288 -15.141 159 1HB ASN 21 HB2 ASN 21 20.953 5.492 -17.306 160 2HB ASN 21 HB3 ASN 21 20.976 7.044 -16.468 161 1HD2 ASN 21 HD22 ASN 21 22.912 4.076 -17.108 162 2HD2 ASN 21 HD21 ASN 21 24.441 4.810 -16.705 163 H GLU 22 H GLU 22 22.815 4.948 -13.844 164 HA GLU 22 HA GLU 22 22.376 5.916 -11.293 165 1HB GLU 22 HB2 GLU 22 24.326 4.625 -12.182 166 2HB GLU 22 HB3 GLU 22 24.908 6.088 -12.978 167 1HG GLU 22 HG2 GLU 22 25.086 7.176 -10.702 168 2HG GLU 22 HG3 GLU 22 24.613 5.630 -9.984 169 H MET 23 H MET 23 23.368 7.764 -14.167 170 HA MET 23 HA MET 23 23.916 10.205 -12.776 171 1HB MET 23 HB2 MET 23 23.182 9.698 -15.692 172 2HB MET 23 HB3 MET 23 23.773 11.237 -15.063 173 1HG MET 23 HG2 MET 23 25.315 8.615 -14.992 174 2HG MET 23 HG3 MET 23 25.551 9.918 -16.151 175 1HE MET 23 HE1 MET 23 27.878 8.568 -14.446 176 2HE MET 23 HE2 MET 23 28.140 9.862 -15.639 177 3HE MET 23 HE3 MET 23 28.831 10.003 -14.007 178 H MET 24 H MET 24 20.911 8.860 -14.097 179 HA MET 24 HA MET 24 19.460 11.341 -14.189 180 1HB MET 24 HB2 MET 24 18.444 8.478 -13.953 181 2HB MET 24 HB3 MET 24 17.414 9.890 -14.172 182 1HG MET 24 HG2 MET 24 19.639 9.117 -16.072 183 2HG MET 24 HG3 MET 24 17.948 8.630 -16.264 184 1HE MET 24 HE1 MET 24 19.680 10.071 -18.526 185 2HE MET 24 HE2 MET 24 17.987 9.567 -18.735 186 3HE MET 24 HE3 MET 24 18.483 11.219 -19.162 187 H LEU 25 H LEU 25 19.515 8.645 -11.832 188 HA LEU 25 HA LEU 25 17.786 10.064 -10.002 189 1HB LEU 25 HB2 LEU 25 19.671 7.740 -9.443 190 2HB LEU 25 HB3 LEU 25 18.429 8.351 -8.345 191 HG LEU 25 HG LEU 25 18.077 6.894 -10.968 192 1HD1 LEU 25 HD11 LEU 25 16.854 5.306 -9.537 193 2HD1 LEU 25 HD12 LEU 25 18.512 5.554 -8.958 194 3HD1 LEU 25 HD13 LEU 25 17.162 6.338 -8.119 195 1HD2 LEU 25 HD21 LEU 25 15.566 7.146 -10.497 196 2HD2 LEU 25 HD22 LEU 25 16.000 8.423 -9.326 197 3HD2 LEU 25 HD23 LEU 25 16.375 8.613 -11.055 198 H SER 26 H SER 26 21.359 9.817 -10.344 199 HA SER 26 HA SER 26 21.949 11.048 -7.843 200 1HB SER 26 HB2 SER 26 23.529 11.165 -10.451 201 2HB SER 26 HB3 SER 26 24.139 11.565 -8.833 202 HG SER 26 HG SER 26 23.304 9.067 -9.871 203 H MET 27 H MET 27 21.405 12.450 -11.131 204 HA MET 27 HA MET 27 21.742 15.151 -10.386 205 1HB MET 27 HB2 MET 27 21.708 14.313 -12.699 206 2HB MET 27 HB3 MET 27 20.019 13.838 -12.535 207 1HG MET 27 HG2 MET 27 20.224 15.900 -13.773 208 2HG MET 27 HG3 MET 27 19.321 16.125 -12.282 209 1HE MET 27 HE1 MET 27 23.322 15.996 -12.763 210 2HE MET 27 HE2 MET 27 22.666 16.786 -14.218 211 3HE MET 27 HE3 MET 27 23.628 17.720 -13.051 212 H LEU 28 H LEU 28 18.813 13.028 -10.301 213 HA LEU 28 HA LEU 28 17.055 15.162 -9.568 214 1HB LEU 28 HB2 LEU 28 16.802 12.149 -9.251 215 2HB LEU 28 HB3 LEU 28 15.523 13.275 -8.808 216 HG LEU 28 HG LEU 28 16.681 13.009 -11.605 217 1HD1 LEU 28 HD11 LEU 28 15.391 11.013 -10.887 218 2HD1 LEU 28 HD12 LEU 28 14.007 12.061 -10.501 219 3HD1 LEU 28 HD13 LEU 28 14.574 11.904 -12.178 220 1HD2 LEU 28 HD21 LEU 28 15.823 15.264 -11.311 221 2HD2 LEU 28 HD22 LEU 28 14.696 14.346 -12.295 222 3HD2 LEU 28 HD23 LEU 28 14.327 14.640 -10.579 223 H PHE 29 H PHE 29 18.591 12.647 -7.496 224 HA PHE 29 HA PHE 29 17.369 13.910 -5.164 225 1HB PHE 29 HB2 PHE 29 19.270 11.579 -5.532 226 2HB PHE 29 HB3 PHE 29 18.842 12.222 -3.946 227 HD1 PHE 29 HD1 PHE 29 16.885 11.650 -2.825 228 HD2 PHE 29 HD2 PHE 29 17.282 10.718 -7.012 229 HE1 PHE 29 HE1 PHE 29 14.789 10.332 -2.726 230 HE2 PHE 29 HE2 PHE 29 15.198 9.404 -6.912 231 HZ PHE 29 HZ PHE 29 13.934 9.217 -4.772 232 H ASN 30 H ASN 30 20.584 14.280 -6.687 233 HA ASN 30 HA ASN 30 21.944 15.104 -4.370 234 1HB ASN 30 HB2 ASN 30 23.088 14.453 -6.349 235 2HB ASN 30 HB3 ASN 30 22.429 15.841 -7.249 236 1HD2 ASN 30 HD22 ASN 30 23.929 17.506 -7.464 237 2HD2 ASN 30 HD21 ASN 30 25.197 17.851 -6.319 238 H GLN 31 H GLN 31 19.458 16.853 -6.036 239 HA GLN 31 HA GLN 31 20.231 19.507 -5.467 240 1HB GLN 31 HB2 GLN 31 17.936 20.097 -5.746 241 2HB GLN 31 HB3 GLN 31 18.313 18.832 -6.915 242 1HG GLN 31 HG2 GLN 31 17.255 17.157 -5.349 243 2HG GLN 31 HG3 GLN 31 16.806 18.483 -4.284 244 1HE2 GLN 31 HE22 GLN 31 15.894 16.718 -7.098 245 2HE2 GLN 31 HE21 GLN 31 14.499 17.697 -7.543 246 H PHE 32 H PHE 32 19.127 16.925 -3.305 247 HA PHE 32 HA PHE 32 18.454 18.805 -1.153 248 1HB PHE 32 HB2 PHE 32 18.625 15.781 -1.054 249 2HB PHE 32 HB3 PHE 32 17.824 16.838 0.101 250 HD1 PHE 32 HD1 PHE 32 15.946 18.481 -1.094 251 HD2 PHE 32 HD2 PHE 32 17.274 14.669 -2.601 252 HE1 PHE 32 HE1 PHE 32 13.946 18.345 -2.560 253 HE2 PHE 32 HE2 PHE 32 15.293 14.536 -4.048 254 HZ PHE 32 HZ PHE 32 13.657 16.388 -4.090 255 HA PRO 33 HA PRO 33 22.737 18.800 0.020 256 1HB PRO 33 HB2 PRO 33 22.679 20.207 2.367 257 2HB PRO 33 HB3 PRO 33 22.222 20.912 0.795 258 1HG PRO 33 HG2 PRO 33 20.369 19.737 2.891 259 2HG PRO 33 HG3 PRO 33 20.258 21.336 2.090 260 1HD PRO 33 HD2 PRO 33 18.856 19.171 1.198 261 2HD PRO 33 HD3 PRO 33 19.530 20.386 0.070 262 H GLY 34 H GLY 34 21.454 16.285 0.541 263 1HA GLY 34 HA2 GLY 34 23.133 15.284 2.765 264 2HA GLY 34 HA3 GLY 34 21.394 14.932 2.783 265 H PHE 35 H PHE 35 21.983 14.901 -0.503 266 HA PHE 35 HA PHE 35 21.873 12.118 -0.787 267 1HB PHE 35 HB2 PHE 35 21.170 13.700 -2.481 268 2HB PHE 35 HB3 PHE 35 22.764 14.451 -2.509 269 HD1 PHE 35 HD1 PHE 35 24.616 13.502 -3.770 270 HD2 PHE 35 HD2 PHE 35 20.805 11.495 -3.583 271 HE1 PHE 35 HE1 PHE 35 25.291 12.024 -5.649 272 HE2 PHE 35 HE2 PHE 35 21.456 10.077 -5.483 273 HZ PHE 35 HZ PHE 35 23.715 10.305 -6.497 274 H LYS 36 H LYS 36 23.428 10.655 -1.408 275 HA LYS 36 HA LYS 36 26.280 11.517 -1.438 276 1HB LYS 36 HB2 LYS 36 25.306 8.980 -0.085 277 2HB LYS 36 HB3 LYS 36 26.987 9.461 -0.340 278 1HG LYS 36 HG2 LYS 36 26.502 11.529 1.090 279 2HG LYS 36 HG3 LYS 36 24.961 10.773 1.502 280 1HD LYS 36 HD2 LYS 36 27.769 9.784 2.115 281 2HD LYS 36 HD3 LYS 36 26.517 10.270 3.272 282 1HE LYS 36 HE2 LYS 36 25.147 8.303 2.638 283 2HE LYS 36 HE3 LYS 36 26.323 7.868 1.396 284 1HZ LYS 36 HZ1 LYS 36 26.666 6.501 3.209 285 2HZ LYS 36 HZ2 LYS 36 27.952 7.511 3.179 286 3HZ LYS 36 HZ3 LYS 36 26.778 7.736 4.303 287 H GLU 37 H GLU 37 23.986 8.753 -2.263 288 HA GLU 37 HA GLU 37 25.434 8.456 -4.814 289 1HB GLU 37 HB2 GLU 37 26.900 7.434 -3.016 290 2HB GLU 37 HB3 GLU 37 25.585 6.356 -2.589 291 1HG GLU 37 HG2 GLU 37 27.361 5.285 -3.900 292 2HG GLU 37 HG3 GLU 37 25.807 5.168 -4.685 293 H VAL 38 H VAL 38 24.592 6.507 -6.066 294 HA VAL 38 HA VAL 38 22.033 5.430 -5.100 295 HB VAL 38 HB VAL 38 20.806 5.704 -7.058 296 1HG1 VAL 38 HG11 VAL 38 22.227 8.371 -6.863 297 2HG1 VAL 38 HG12 VAL 38 20.564 8.060 -7.380 298 3HG1 VAL 38 HG13 VAL 38 21.013 7.786 -5.699 299 1HG2 VAL 38 HG21 VAL 38 23.221 6.787 -8.529 300 2HG2 VAL 38 HG22 VAL 38 22.442 5.199 -8.790 301 3HG2 VAL 38 HG23 VAL 38 21.564 6.673 -9.166 302 H ARG 39 H ARG 39 21.438 3.424 -6.260 303 HA ARG 39 HA ARG 39 23.673 2.032 -7.635 304 1HB ARG 39 HB2 ARG 39 23.829 1.352 -5.280 305 2HB ARG 39 HB3 ARG 39 22.118 0.932 -5.262 306 1HG ARG 39 HG2 ARG 39 22.543 -0.848 -6.975 307 2HG ARG 39 HG3 ARG 39 24.256 -0.402 -6.972 308 1HD ARG 39 HD2 ARG 39 23.984 -2.341 -5.576 309 2HD ARG 39 HD3 ARG 39 24.361 -0.959 -4.536 310 HE ARG 39 HE ARG 39 21.503 -1.437 -4.865 311 1HH1 ARG 39 HH21 ARG 39 24.353 -2.453 -3.016 312 2HH1 ARG 39 HH22 ARG 39 23.457 -3.021 -1.659 313 1HH2 ARG 39 HH11 ARG 39 20.284 -2.182 -3.031 314 2HH2 ARG 39 HH12 ARG 39 21.104 -2.870 -1.680 315 H LEU 40 H LEU 40 22.683 2.039 -9.592 316 HA LEU 40 HA LEU 40 19.852 1.442 -9.985 317 1HB LEU 40 HB2 LEU 40 22.193 2.269 -11.623 318 2HB LEU 40 HB3 LEU 40 21.314 0.973 -12.384 319 HG LEU 40 HG LEU 40 20.583 3.170 -13.140 320 1HD1 LEU 40 HD11 LEU 40 18.377 1.714 -11.620 321 2HD1 LEU 40 HD12 LEU 40 18.182 2.840 -12.964 322 3HD1 LEU 40 HD13 LEU 40 19.009 1.306 -13.238 323 1HD2 LEU 40 HD21 LEU 40 19.440 4.767 -11.776 324 2HD2 LEU 40 HD22 LEU 40 19.446 3.684 -10.368 325 3HD2 LEU 40 HD23 LEU 40 20.960 4.376 -10.972 326 H VAL 41 H VAL 41 19.292 -0.435 -11.343 327 HA VAL 41 HA VAL 41 21.008 -2.843 -10.906 328 HB VAL 41 HB VAL 41 17.982 -2.760 -11.017 329 1HG1 VAL 41 HG11 VAL 41 18.186 -5.145 -10.331 330 2HG1 VAL 41 HG12 VAL 41 18.949 -4.859 -11.894 331 3HG1 VAL 41 HG13 VAL 41 19.953 -5.023 -10.433 332 1HG2 VAL 41 HG21 VAL 41 18.666 -1.818 -8.876 333 2HG2 VAL 41 HG22 VAL 41 18.138 -3.476 -8.599 334 3HG2 VAL 41 HG23 VAL 41 19.872 -3.104 -8.643 335 HA PRO 42 HA PRO 42 20.736 -1.473 -15.228 336 1HB PRO 42 HB2 PRO 42 23.311 -1.938 -16.081 337 2HB PRO 42 HB3 PRO 42 22.875 -0.592 -14.994 338 1HG PRO 42 HG2 PRO 42 23.889 -3.345 -14.199 339 2HG PRO 42 HG3 PRO 42 24.551 -1.747 -13.716 340 1HD PRO 42 HD2 PRO 42 22.808 -3.081 -12.128 341 2HD PRO 42 HD3 PRO 42 22.704 -1.302 -12.313 342 H ASN 43 H ASN 43 19.913 -4.034 -14.273 343 HA ASN 43 HA ASN 43 19.817 -5.412 -16.818 344 1HB ASN 43 HB2 ASN 43 19.906 -7.625 -15.860 345 2HB ASN 43 HB3 ASN 43 21.362 -6.759 -15.401 346 1HD2 ASN 43 HD22 ASN 43 21.778 -6.444 -13.160 347 2HD2 ASN 43 HD21 ASN 43 20.707 -7.018 -11.910 348 H ARG 44 H ARG 44 18.166 -3.803 -14.354 349 HA ARG 44 HA ARG 44 15.607 -4.853 -15.438 350 1HB ARG 44 HB2 ARG 44 16.463 -4.664 -12.556 351 2HB ARG 44 HB3 ARG 44 14.853 -4.102 -12.957 352 1HG ARG 44 HG2 ARG 44 14.428 -6.317 -14.137 353 2HG ARG 44 HG3 ARG 44 15.979 -6.875 -13.493 354 1HD ARG 44 HD2 ARG 44 14.176 -7.658 -12.080 355 2HD ARG 44 HD3 ARG 44 15.133 -6.468 -11.177 356 HE ARG 44 HE ARG 44 13.152 -4.919 -12.283 357 1HH1 ARG 44 HH21 ARG 44 13.046 -7.843 -10.255 358 2HH1 ARG 44 HH22 ARG 44 11.539 -7.436 -9.525 359 1HH2 ARG 44 HH11 ARG 44 11.188 -4.385 -11.362 360 2HH2 ARG 44 HH12 ARG 44 10.443 -5.420 -10.178 361 H HIS 45 H HIS 45 17.339 -2.167 -13.881 362 HA HIS 45 HA HIS 45 17.186 0.003 -13.887 363 1HB HIS 45 HB2 HIS 45 15.627 -0.253 -16.473 364 2HB HIS 45 HB3 HIS 45 16.362 1.213 -15.847 365 HD1 HIS 45 HD1 HIS 45 18.915 1.583 -16.397 366 HD2 HIS 45 HD2 HIS 45 17.393 -2.236 -17.325 367 HE1 HIS 45 HE1 HIS 45 20.733 0.380 -17.715 368 H ASP 46 H ASP 46 14.064 -1.635 -13.977 369 HA ASP 46 HA ASP 46 12.495 0.706 -13.436 370 1HB ASP 46 HB2 ASP 46 10.651 -0.693 -13.386 371 2HB ASP 46 HB3 ASP 46 11.716 -1.445 -14.570 372 H ILE 47 H ILE 47 14.615 -1.005 -11.441 373 HA ILE 47 HA ILE 47 13.487 0.366 -9.136 374 HB ILE 47 HB ILE 47 13.680 -1.360 -7.627 375 1HG1 ILE 47 HG12 ILE 47 15.862 -2.273 -8.186 376 2HG1 ILE 47 HG13 ILE 47 14.668 -3.509 -7.850 377 1HG2 ILE 47 HG21 ILE 47 11.722 -1.626 -9.122 378 2HG2 ILE 47 HG22 ILE 47 12.619 -2.796 -10.079 379 3HG2 ILE 47 HG23 ILE 47 12.242 -3.154 -8.381 380 1HD1 ILE 47 HD11 ILE 47 15.643 -2.746 -10.622 381 2HD1 ILE 47 HD12 ILE 47 16.135 -4.157 -9.660 382 3HD1 ILE 47 HD13 ILE 47 14.471 -4.026 -10.231 383 H ALA 48 H ALA 48 15.124 0.799 -7.475 384 HA ALA 48 HA ALA 48 17.971 0.599 -8.103 385 1HB ALA 48 HB1 ALA 48 17.243 2.533 -9.548 386 2HB ALA 48 HB2 ALA 48 16.617 3.332 -8.085 387 3HB ALA 48 HB3 ALA 48 18.351 3.009 -8.252 388 H PHE 49 H PHE 49 19.145 2.007 -6.395 389 HA PHE 49 HA PHE 49 17.557 2.376 -3.923 390 1HB PHE 49 HB2 PHE 49 20.375 1.236 -4.046 391 2HB PHE 49 HB3 PHE 49 19.521 1.675 -2.590 392 HD1 PHE 49 HD1 PHE 49 18.346 0.045 -1.391 393 HD2 PHE 49 HD2 PHE 49 19.245 -0.644 -5.565 394 HE1 PHE 49 HE1 PHE 49 17.523 -2.294 -1.202 395 HE2 PHE 49 HE2 PHE 49 18.354 -2.949 -5.387 396 HZ PHE 49 HZ PHE 49 17.524 -3.790 -3.190 397 H VAL 50 H VAL 50 18.429 4.108 -2.590 398 HA VAL 50 HA VAL 50 20.459 5.898 -3.819 399 HB VAL 50 HB VAL 50 17.697 6.696 -2.808 400 1HG1 VAL 50 HG11 VAL 50 18.299 8.977 -3.566 401 2HG1 VAL 50 HG12 VAL 50 19.293 8.416 -2.221 402 3HG1 VAL 50 HG13 VAL 50 19.964 8.432 -3.859 403 1HG2 VAL 50 HG21 VAL 50 18.829 6.769 -5.628 404 2HG2 VAL 50 HG22 VAL 50 17.515 5.738 -5.033 405 3HG2 VAL 50 HG23 VAL 50 17.283 7.486 -5.115 406 H GLU 51 H GLU 51 21.703 6.982 -2.202 407 HA GLU 51 HA GLU 51 21.189 6.208 0.622 408 1HB GLU 51 HB2 GLU 51 22.774 4.615 -0.221 409 2HB GLU 51 HB3 GLU 51 23.757 5.885 -0.979 410 1HG GLU 51 HG2 GLU 51 24.327 6.824 1.175 411 2HG GLU 51 HG3 GLU 51 23.253 5.715 2.023 412 H PHE 52 H PHE 52 21.709 7.665 2.088 413 HA PHE 52 HA PHE 52 22.496 10.411 1.280 414 1HB PHE 52 HB2 PHE 52 20.016 9.279 2.537 415 2HB PHE 52 HB3 PHE 52 20.616 10.746 3.252 416 HD1 PHE 52 HD1 PHE 52 19.910 9.387 -0.203 417 HD2 PHE 52 HD2 PHE 52 19.831 12.763 2.465 418 HE1 PHE 52 HE1 PHE 52 18.936 10.787 -1.996 419 HE2 PHE 52 HE2 PHE 52 18.801 14.150 0.689 420 HZ PHE 52 HZ PHE 52 18.409 13.174 -1.565 421 H THR 53 H THR 53 22.916 11.745 3.160 422 HA THR 53 HA THR 53 24.868 10.666 4.976 423 HB THR 53 HB THR 53 23.397 13.337 4.773 424 HG1 THR 53 HG1 THR 53 24.641 12.932 2.990 425 1HG2 THR 53 HG21 THR 53 24.254 13.177 7.014 426 2HG2 THR 53 HG22 THR 53 25.834 12.600 6.435 427 3HG2 THR 53 HG23 THR 53 25.299 14.268 6.093 428 H THR 54 H THR 54 21.489 11.908 5.394 429 HA THR 54 HA THR 54 21.382 10.574 8.032 430 HB THR 54 HB THR 54 20.045 12.921 8.460 431 HG1 THR 54 HG1 THR 54 21.392 14.579 7.709 432 1HG2 THR 54 HG21 THR 54 21.723 11.958 9.941 433 2HG2 THR 54 HG22 THR 54 23.024 12.447 8.836 434 3HG2 THR 54 HG23 THR 54 22.049 13.677 9.679 435 H GLU 55 H GLU 55 19.480 10.014 8.756 436 HA GLU 55 HA GLU 55 17.631 8.934 6.925 437 1HB GLU 55 HB2 GLU 55 17.119 9.488 9.875 438 2HB GLU 55 HB3 GLU 55 16.372 8.235 8.878 439 1HG GLU 55 HG2 GLU 55 18.622 7.150 8.638 440 2HG GLU 55 HG3 GLU 55 19.304 8.356 9.722 441 H LEU 56 H LEU 56 17.544 11.978 8.737 442 HA LEU 56 HA LEU 56 14.801 12.628 8.124 443 1HB LEU 56 HB2 LEU 56 17.225 14.174 9.095 444 2HB LEU 56 HB3 LEU 56 15.798 15.041 8.559 445 HG LEU 56 HG LEU 56 15.834 14.818 10.968 446 1HD1 LEU 56 HD11 LEU 56 13.652 14.919 9.772 447 2HD1 LEU 56 HD12 LEU 56 13.550 13.145 9.840 448 3HD1 LEU 56 HD13 LEU 56 13.563 14.095 11.334 449 1HD2 LEU 56 HD21 LEU 56 17.013 12.645 11.173 450 2HD2 LEU 56 HD22 LEU 56 15.537 12.719 12.144 451 3HD2 LEU 56 HD23 LEU 56 15.542 11.805 10.624 452 H GLN 57 H GLN 57 17.894 13.049 6.383 453 HA GLN 57 HA GLN 57 16.666 14.975 4.543 454 1HB GLN 57 HB2 GLN 57 19.426 13.691 4.542 455 2HB GLN 57 HB3 GLN 57 18.844 14.927 3.407 456 1HG GLN 57 HG2 GLN 57 18.274 16.326 5.535 457 2HG GLN 57 HG3 GLN 57 19.322 15.195 6.393 458 1HE2 GLN 57 HE22 GLN 57 21.644 15.106 5.710 459 2HE2 GLN 57 HE21 GLN 57 22.337 16.476 4.840 460 H SER 58 H SER 58 17.557 11.445 4.482 461 HA SER 58 HA SER 58 16.678 11.075 1.767 462 1HB SER 58 HB2 SER 58 16.256 8.696 2.604 463 2HB SER 58 HB3 SER 58 17.911 9.296 2.725 464 HG SER 58 HG SER 58 16.719 8.241 4.646 465 H ASN 59 H ASN 59 14.975 11.005 4.961 466 HA ASN 59 HA ASN 59 12.407 10.430 3.961 467 1HB ASN 59 HB2 ASN 59 12.767 10.408 6.330 468 2HB ASN 59 HB3 ASN 59 13.293 12.083 6.342 469 1HD2 ASN 59 HD22 ASN 59 11.765 13.604 6.899 470 2HD2 ASN 59 HD21 ASN 59 10.042 13.345 6.822 471 H ALA 60 H ALA 60 13.902 13.681 4.369 472 HA ALA 60 HA ALA 60 11.710 15.105 3.277 473 1HB ALA 60 HB1 ALA 60 13.306 16.917 2.864 474 2HB ALA 60 HB2 ALA 60 13.581 16.189 4.459 475 3HB ALA 60 HB3 ALA 60 14.671 15.804 3.101 476 H ALA 61 H ALA 61 14.522 13.665 1.602 477 HA ALA 61 HA ALA 61 13.795 14.516 -1.011 478 1HB ALA 61 HB1 ALA 61 15.343 12.011 -0.219 479 2HB ALA 61 HB2 ALA 61 15.332 12.836 -1.791 480 3HB ALA 61 HB3 ALA 61 16.037 13.644 -0.378 481 H LYS 62 H LYS 62 12.868 11.568 0.838 482 HA LYS 62 HA LYS 62 11.402 10.282 -1.220 483 1HB LYS 62 HB2 LYS 62 11.919 9.075 0.809 484 2HB LYS 62 HB3 LYS 62 11.110 10.276 1.805 485 1HG LYS 62 HG2 LYS 62 8.920 9.661 0.692 486 2HG LYS 62 HG3 LYS 62 9.769 8.320 -0.088 487 1HD LYS 62 HD2 LYS 62 10.317 7.361 2.090 488 2HD LYS 62 HD3 LYS 62 9.666 8.775 2.931 489 1HE LYS 62 HE2 LYS 62 8.026 6.894 1.177 490 2HE LYS 62 HE3 LYS 62 8.142 6.803 2.945 491 1HZ LYS 62 HZ1 LYS 62 6.255 8.044 2.679 492 2HZ LYS 62 HZ2 LYS 62 7.323 9.296 2.748 493 3HZ LYS 62 HZ3 LYS 62 6.747 8.798 1.316 494 H GLU 63 H GLU 63 10.244 12.583 1.343 495 HA GLU 63 HA GLU 63 7.590 12.641 0.360 496 1HB GLU 63 HB2 GLU 63 9.116 14.835 1.835 497 2HB GLU 63 HB3 GLU 63 7.369 14.776 1.622 498 1HG GLU 63 HG2 GLU 63 9.072 12.862 3.254 499 2HG GLU 63 HG3 GLU 63 7.940 14.049 3.854 500 H ALA 64 H ALA 64 10.438 14.501 -0.612 501 HA ALA 64 HA ALA 64 9.073 16.389 -2.260 502 1HB ALA 64 HB1 ALA 64 11.343 16.704 -1.314 503 2HB ALA 64 HB2 ALA 64 11.944 15.393 -2.358 504 3HB ALA 64 HB3 ALA 64 11.330 16.893 -3.082 505 H LEU 65 H LEU 65 10.558 13.179 -3.035 506 HA LEU 65 HA LEU 65 9.815 13.635 -5.894 507 1HB LEU 65 HB2 LEU 65 12.023 11.953 -4.675 508 2HB LEU 65 HB3 LEU 65 11.609 11.982 -6.384 509 HG LEU 65 HG LEU 65 12.668 14.338 -4.793 510 1HD1 LEU 65 HD11 LEU 65 14.648 14.056 -6.276 511 2HD1 LEU 65 HD12 LEU 65 14.351 12.623 -5.279 512 3HD1 LEU 65 HD13 LEU 65 13.895 12.615 -6.991 513 1HD2 LEU 65 HD21 LEU 65 11.942 14.148 -7.753 514 2HD2 LEU 65 HD22 LEU 65 11.179 15.206 -6.543 515 3HD2 LEU 65 HD23 LEU 65 12.853 15.478 -7.009 516 H GLN 66 H GLN 66 8.663 11.724 -3.310 517 HA GLN 66 HA GLN 66 7.923 9.404 -4.838 518 1HB GLN 66 HB2 GLN 66 6.676 10.815 -2.463 519 2HB GLN 66 HB3 GLN 66 5.759 9.586 -3.340 520 1HG GLN 66 HG2 GLN 66 7.652 7.971 -3.033 521 2HG GLN 66 HG3 GLN 66 8.436 9.137 -1.968 522 1HE2 GLN 66 HE22 GLN 66 7.085 6.321 -1.497 523 2HE2 GLN 66 HE21 GLN 66 5.926 6.637 -0.247 524 H GLY 67 H GLY 67 6.654 9.174 -6.546 525 1HA GLY 67 HA2 GLY 67 4.872 9.494 -7.966 526 2HA GLY 67 HA3 GLY 67 4.433 10.993 -7.142 527 H PHE 68 H PHE 68 7.770 11.221 -7.830 528 HA PHE 68 HA PHE 68 7.292 13.288 -9.769 529 1HB PHE 68 HB2 PHE 68 9.118 13.344 -8.113 530 2HB PHE 68 HB3 PHE 68 9.843 11.905 -8.824 531 HD1 PHE 68 HD1 PHE 68 11.115 12.015 -10.904 532 HD2 PHE 68 HD2 PHE 68 9.216 15.531 -9.271 533 HE1 PHE 68 HE1 PHE 68 12.427 13.448 -12.446 534 HE2 PHE 68 HE2 PHE 68 10.550 16.958 -10.801 535 HZ PHE 68 HZ PHE 68 12.155 15.919 -12.396 536 H LYS 69 H LYS 69 7.019 13.012 -11.938 537 HA LYS 69 HA LYS 69 7.471 10.479 -13.301 538 1HB LYS 69 HB2 LYS 69 6.611 13.236 -14.130 539 2HB LYS 69 HB3 LYS 69 7.527 12.320 -15.325 540 1HG LYS 69 HG2 LYS 69 5.267 11.870 -15.761 541 2HG LYS 69 HG3 LYS 69 6.000 10.412 -15.112 542 1HD LYS 69 HD2 LYS 69 5.032 11.024 -12.838 543 2HD LYS 69 HD3 LYS 69 4.116 12.303 -13.639 544 1HE LYS 69 HE2 LYS 69 4.051 9.344 -14.407 545 2HE LYS 69 HE3 LYS 69 2.902 10.094 -13.284 546 1HZ LYS 69 HZ1 LYS 69 2.269 11.600 -15.155 547 2HZ LYS 69 HZ2 LYS 69 3.172 10.666 -16.175 548 3HZ LYS 69 HZ3 LYS 69 1.891 10.036 -15.399 549 H ILE 70 H ILE 70 9.442 9.650 -13.414 550 HA ILE 70 HA ILE 70 11.866 11.312 -13.719 551 HB ILE 70 HB ILE 70 11.419 8.337 -14.070 552 1HG1 ILE 70 HG12 ILE 70 12.712 9.823 -11.743 553 2HG1 ILE 70 HG13 ILE 70 11.039 9.264 -11.738 554 1HG2 ILE 70 HG21 ILE 70 13.979 9.999 -13.858 555 2HG2 ILE 70 HG22 ILE 70 13.918 8.228 -13.967 556 3HG2 ILE 70 HG23 ILE 70 13.383 9.211 -15.330 557 1HD1 ILE 70 HD11 ILE 70 11.768 6.933 -12.036 558 2HD1 ILE 70 HD12 ILE 70 13.472 7.453 -11.947 559 3HD1 ILE 70 HD13 ILE 70 12.398 7.668 -10.562 560 H THR 71 H THR 71 9.651 9.253 -15.712 561 HA THR 71 HA THR 71 10.058 11.067 -17.969 562 HB THR 71 HB THR 71 9.909 9.116 -19.533 563 HG1 THR 71 HG1 THR 71 10.546 7.089 -18.688 564 1HG2 THR 71 HG21 THR 71 12.246 8.440 -19.441 565 2HG2 THR 71 HG22 THR 71 12.124 10.157 -19.028 566 3HG2 THR 71 HG23 THR 71 12.373 8.952 -17.746 567 HA PRO 72 HA PRO 72 5.904 11.678 -17.981 568 1HB PRO 72 HB2 PRO 72 5.519 10.234 -20.613 569 2HB PRO 72 HB3 PRO 72 4.813 11.794 -20.075 570 1HG PRO 72 HG2 PRO 72 7.012 11.808 -21.634 571 2HG PRO 72 HG3 PRO 72 6.947 12.883 -20.197 572 1HD PRO 72 HD2 PRO 72 8.348 10.233 -20.512 573 2HD PRO 72 HD3 PRO 72 8.918 11.725 -19.706 574 H THR 73 H THR 73 6.550 8.230 -18.394 575 HA THR 73 HA THR 73 3.874 7.580 -17.300 576 HB THR 73 HB THR 73 4.295 5.401 -18.641 577 HG1 THR 73 HG1 THR 73 5.790 5.562 -20.286 578 1HG2 THR 73 HG21 THR 73 4.004 7.990 -20.239 579 2HG2 THR 73 HG22 THR 73 3.482 6.365 -20.735 580 3HG2 THR 73 HG23 THR 73 2.694 7.164 -19.368 581 H HIS 74 H HIS 74 6.778 7.997 -16.074 582 HA HIS 74 HA HIS 74 6.695 5.525 -14.407 583 1HB HIS 74 HB2 HIS 74 9.172 6.785 -15.618 584 2HB HIS 74 HB3 HIS 74 9.117 5.451 -14.457 585 HD1 HIS 74 HD1 HIS 74 8.728 6.142 -18.136 586 HD2 HIS 74 HD2 HIS 74 8.070 3.052 -15.360 587 HE1 HIS 74 HE1 HIS 74 8.346 4.015 -19.508 588 H ALA 75 H ALA 75 5.420 6.945 -13.122 589 HA ALA 75 HA ALA 75 6.612 9.148 -11.654 590 1HB ALA 75 HB1 ALA 75 4.161 8.883 -11.779 591 2HB ALA 75 HB2 ALA 75 4.272 7.297 -10.984 592 3HB ALA 75 HB3 ALA 75 4.716 8.771 -10.106 593 H MET 76 H MET 76 8.413 8.779 -10.520 594 HA MET 76 HA MET 76 9.557 6.472 -9.542 595 1HB MET 76 HB2 MET 76 10.516 8.784 -9.651 596 2HB MET 76 HB3 MET 76 9.508 9.262 -8.294 597 1HG MET 76 HG2 MET 76 10.637 7.527 -6.896 598 2HG MET 76 HG3 MET 76 11.711 7.167 -8.252 599 1HE MET 76 HE1 MET 76 13.700 10.648 -8.515 600 2HE MET 76 HE2 MET 76 13.538 9.029 -9.220 601 3HE MET 76 HE3 MET 76 12.235 10.229 -9.421 602 H LYS 77 H LYS 77 8.982 4.998 -7.979 603 HA LYS 77 HA LYS 77 7.213 5.902 -5.765 604 1HB LYS 77 HB2 LYS 77 6.458 3.979 -7.300 605 2HB LYS 77 HB3 LYS 77 7.820 3.052 -6.644 606 1HG LYS 77 HG2 LYS 77 6.897 3.364 -4.353 607 2HG LYS 77 HG3 LYS 77 5.600 4.366 -5.018 608 1HD LYS 77 HD2 LYS 77 4.681 2.208 -4.566 609 2HD LYS 77 HD3 LYS 77 4.789 2.367 -6.330 610 1HE LYS 77 HE2 LYS 77 6.870 1.033 -6.339 611 2HE LYS 77 HE3 LYS 77 6.880 1.001 -4.579 612 1HZ LYS 77 HZ1 LYS 77 6.044 -1.039 -5.298 613 2HZ LYS 77 HZ2 LYS 77 4.745 -0.248 -4.716 614 3HZ LYS 77 HZ3 LYS 77 4.946 -0.379 -6.337 615 H ILE 78 H ILE 78 8.033 5.442 -3.652 616 HA ILE 78 HA ILE 78 10.911 4.742 -3.440 617 HB ILE 78 HB ILE 78 9.624 7.175 -2.153 618 1HG1 ILE 78 HG12 ILE 78 11.501 7.141 -4.542 619 2HG1 ILE 78 HG13 ILE 78 9.813 7.637 -4.553 620 1HG2 ILE 78 HG21 ILE 78 11.871 7.791 -1.425 621 2HG2 ILE 78 HG22 ILE 78 11.457 6.207 -0.821 622 3HG2 ILE 78 HG23 ILE 78 12.539 6.354 -2.218 623 1HD1 ILE 78 HD11 ILE 78 10.398 9.518 -3.014 624 2HD1 ILE 78 HD12 ILE 78 12.116 9.096 -3.229 625 3HD1 ILE 78 HD13 ILE 78 11.141 9.600 -4.610 626 H THR 79 H THR 79 11.342 3.690 -1.558 627 HA THR 79 HA THR 79 9.467 3.682 0.708 628 HB THR 79 HB THR 79 10.290 1.100 0.797 629 HG1 THR 79 HG1 THR 79 11.153 1.548 -1.490 630 1HG2 THR 79 HG21 THR 79 8.116 0.409 -0.067 631 2HG2 THR 79 HG22 THR 79 7.939 1.852 0.938 632 3HG2 THR 79 HG23 THR 79 7.882 1.999 -0.834 633 H PHE 80 H PHE 80 10.720 3.213 2.729 634 HA PHE 80 HA PHE 80 13.536 3.996 2.539 635 1HB PHE 80 HB2 PHE 80 11.825 2.991 4.835 636 2HB PHE 80 HB3 PHE 80 13.525 3.406 4.988 637 HD1 PHE 80 HD1 PHE 80 10.167 4.701 5.070 638 HD2 PHE 80 HD2 PHE 80 14.265 5.796 4.297 639 HE1 PHE 80 HE1 PHE 80 9.592 7.088 5.399 640 HE2 PHE 80 HE2 PHE 80 13.681 8.191 4.589 641 HZ PHE 80 HZ PHE 80 11.329 8.832 5.142 642 H ALA 81 H ALA 81 15.256 2.622 2.422 643 HA ALA 81 HA ALA 81 14.792 -0.280 2.066 644 1HB ALA 81 HB1 ALA 81 17.199 -0.353 1.586 645 2HB ALA 81 HB2 ALA 81 16.441 0.910 0.609 646 3HB ALA 81 HB3 ALA 81 17.369 1.345 2.063 647 H LYS 82 H LYS 82 16.667 -1.547 3.415 648 HA LYS 82 HA LYS 82 16.509 -0.662 6.270 649 1HB LYS 82 HB2 LYS 82 15.973 -3.445 5.143 650 2HB LYS 82 HB3 LYS 82 16.152 -3.050 6.857 651 1HG LYS 82 HG2 LYS 82 14.170 -1.577 6.756 652 2HG LYS 82 HG3 LYS 82 14.010 -1.875 5.023 653 1HD LYS 82 HD2 LYS 82 12.398 -3.250 6.104 654 2HD LYS 82 HD3 LYS 82 13.668 -4.312 5.483 655 1HE LYS 82 HE2 LYS 82 14.686 -4.386 7.771 656 2HE LYS 82 HE3 LYS 82 13.394 -3.331 8.362 657 1HZ LYS 82 HZ1 LYS 82 12.994 -6.050 7.251 658 2HZ LYS 82 HZ2 LYS 82 12.940 -5.654 8.829 659 3HZ LYS 82 HZ3 LYS 82 11.805 -5.075 7.816 660 H LYS 83 H LYS 83 18.535 -0.421 6.999 661 HA LYS 83 HA LYS 83 20.866 -1.519 5.648 662 1HB LYS 83 HB2 LYS 83 20.520 -0.174 8.367 663 2HB LYS 83 HB3 LYS 83 22.068 -0.715 7.701 664 1HG LYS 83 HG2 LYS 83 21.680 0.726 5.689 665 2HG LYS 83 HG3 LYS 83 20.238 1.387 6.456 666 1HD LYS 83 HD2 LYS 83 23.085 1.566 7.543 667 2HD LYS 83 HD3 LYS 83 22.242 2.851 6.668 668 1HE LYS 83 HE2 LYS 83 20.552 3.022 8.440 669 2HE LYS 83 HE3 LYS 83 21.277 1.664 9.307 670 1HZ LYS 83 HZ1 LYS 83 22.634 4.265 8.823 671 2HZ LYS 83 HZ2 LYS 83 21.969 3.780 10.235 672 3HZ LYS 83 HZ3 LYS 83 23.264 2.994 9.642
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